#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wms n SER 6 N 0.00 0.59 -4.26 -3.46 2.88 -1.26 -4.87 113.62 103.23 1wms n SER 6 Ca 0.00 1.00 -0.35 0.00 -1.33 0.00 0.00 58.87 58.20 1wms n SER 6 Cb 0.00 -0.77 -0.14 0.00 -0.75 0.00 0.00 64.21 62.55 1wms n SER 6 CO 0.00 0.00 0.00 -0.22 -1.23 0.00 0.00 175.04 173.59 1wms s LEU 7 N 1.48 2.79 -0.24 2.46 2.96 -1.26 -0.65 118.68 126.22 1wms s LEU 7 Ca 0.85 -0.49 -0.07 0.00 -0.22 0.00 0.00 54.13 54.19 1wms s LEU 7 Cb -1.20 -1.69 -0.03 0.00 0.50 0.00 0.00 46.19 43.78 1wms s LEU 7 CO 0.61 -0.03 0.07 -0.36 -1.32 0.00 0.00 176.35 175.33 1wms s PHE 8 N 1.43 3.12 -0.28 5.38 0.40 0.07 -4.98 117.98 123.11 1wms s PHE 8 Ca 0.05 -0.29 -0.16 0.00 -0.60 0.00 0.00 56.93 55.93 1wms s PHE 8 Cb -0.14 -2.21 -0.03 0.00 0.51 0.00 0.00 43.02 41.14 1wms s PHE 8 CO -0.05 -0.25 0.43 0.21 0.70 0.00 0.00 175.22 176.26 1wms s LYS 9 N 1.38 3.96 -0.07 0.44 2.20 -1.26 -0.61 119.74 125.77 1wms s LYS 9 Ca 0.05 0.07 0.05 0.00 -0.36 0.00 0.00 55.97 55.78 1wms s LYS 9 Cb -0.15 -3.68 -0.01 0.00 -1.51 0.00 0.00 37.83 32.49 1wms s LYS 9 CO 0.04 -0.35 -0.25 0.08 -0.36 0.00 0.00 175.35 174.51 1wms s VAL 10 N 2.17 2.05 -0.09 4.02 1.01 -0.10 -0.01 120.40 129.44 1wms s VAL 10 Ca 0.17 -1.05 0.01 0.00 0.00 0.00 0.00 61.98 61.11 1wms s VAL 10 Cb -0.16 -1.75 -0.02 0.00 0.00 0.00 0.00 36.38 34.45 1wms s VAL 10 CO 0.10 0.57 -0.13 -0.51 0.00 0.00 0.00 175.10 175.12 1wms s ILE 11 N 0.02 3.08 -0.20 2.22 2.07 -0.79 -0.59 121.20 127.01 1wms s ILE 11 Ca -0.09 -0.68 -0.11 0.00 -1.41 0.00 0.00 60.65 58.36 1wms s ILE 11 Cb -0.15 -2.26 -0.05 0.00 0.13 0.00 0.00 42.46 40.13 1wms s ILE 11 CO 0.06 0.55 0.17 -0.76 -1.91 0.00 0.00 174.94 173.05 1wms s LEU 12 N -0.15 4.20 0.08 8.50 1.43 -0.22 -0.71 118.68 131.82 1wms s LEU 12 Ca -0.01 0.28 0.06 0.00 -1.03 0.00 0.00 54.13 53.43 1wms s LEU 12 Cb -0.13 -2.16 -0.03 0.00 0.03 0.00 0.00 46.19 43.90 1wms s LEU 12 CO 0.03 0.14 -0.15 -0.76 0.23 0.00 0.00 176.35 175.85 1wms s LEU 13 N 0.48 2.30 0.00 1.79 1.43 -0.53 -4.24 118.68 119.91 1wms s LEU 13 Ca 0.10 -0.66 0.00 0.00 -1.03 0.00 0.00 54.13 52.54 1wms s LEU 13 Cb -0.12 -0.57 0.00 0.00 0.03 0.00 0.00 46.19 45.54 1wms s LEU 13 CO 0.00 -0.07 0.00 0.61 0.23 0.00 0.00 176.35 177.12 1wms n GLY 14 N 1.13 2.80 3.65 -3.19 0.00 -1.26 -0.61 105.19 107.71 1wms n GLY 14 Ca -0.20 -1.17 -0.35 0.00 0.00 0.00 0.00 46.02 44.30 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 0.83 -4.69 1.61 9.92 -1.26 -4.90 116.55 118.06 1wms n ASP 15 Ca 0.00 0.68 -0.43 0.00 -0.53 0.00 0.00 54.79 54.51 1wms n ASP 15 Cb 0.00 -1.45 -0.01 0.00 -0.64 0.00 0.00 41.12 39.02 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 0.97 0.55 1.54 0.44 0.00 -1.26 -2.77 105.19 104.65 1wms n GLY 16 Ca 0.14 0.34 0.00 0.00 0.00 0.00 0.00 46.02 46.49 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 0.97 1.05 0.25 -0.02 0.00 -1.26 -4.92 105.19 101.25 1wms n GLY 17 Ca 0.06 0.00 0.15 0.00 0.00 0.00 0.00 46.02 46.23 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 -1.88 -3.47 116.25 111.00 1wms h VAL 18 Ca 0.00 -0.71 0.00 0.00 -1.23 0.00 0.00 66.70 64.76 1wms h VAL 18 Cb 0.00 1.70 0.00 0.00 -2.13 0.00 0.00 31.29 30.86 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 0.51 1.81 0.10 5.19 0.00 -1.26 -4.54 105.19 107.00 1wms n GLY 19 Ca 0.02 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.91 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 0.00 -0.15 -0.90 1.61 1.57 -1.91 0.98 116.57 117.78 1wms h LYS 20 Ca 0.00 0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.79 1wms h LYS 20 Cb 0.00 0.03 -0.04 0.00 0.08 0.00 0.00 32.23 32.30 1wms h LYS 20 CO 0.00 -0.05 0.57 1.03 -0.57 0.00 0.00 179.45 180.43 1wms h SER 21 N -0.21 1.05 -0.21 0.86 0.87 -1.99 -1.56 113.55 112.36 1wms h SER 21 Ca -0.02 -0.04 -0.11 0.00 -1.23 0.00 0.00 61.79 60.39 1wms h SER 21 Cb 0.16 -0.26 -0.01 0.00 -0.44 0.00 0.00 62.40 61.85 1wms h SER 21 CO 0.03 0.78 -0.22 0.28 -0.53 0.00 0.00 176.83 177.16 1wms h SER 22 N 1.22 0.67 -0.30 6.23 0.02 -1.91 -0.71 113.55 118.78 1wms h SER 22 Ca 0.33 -0.23 -0.04 0.00 -0.84 0.00 0.00 61.79 61.00 1wms h SER 22 Cb -0.10 -0.18 -0.01 0.00 0.14 0.00 0.00 62.40 62.24 1wms h SER 22 CO -0.07 0.89 0.03 -0.07 -1.14 0.00 0.00 176.83 176.47 1wms h LEU 23 N 0.59 0.50 -0.61 5.07 3.38 -0.37 0.14 115.31 124.00 1wms h LEU 23 Ca 0.08 -0.28 -0.06 0.00 0.09 0.00 0.00 57.88 57.71 1wms h LEU 23 Cb 0.70 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 41.29 1wms h LEU 23 CO 0.05 0.66 0.13 -0.03 0.09 0.00 0.00 178.44 179.34 1wms h MET 24 N 0.32 0.98 -0.44 1.13 -1.53 -1.09 -1.11 114.93 113.20 1wms h MET 24 Ca 0.09 -0.24 -0.09 0.00 -3.44 0.00 0.00 59.70 56.01 1wms h MET 24 Cb 0.38 -0.12 -0.02 0.00 -0.55 0.00 0.00 31.60 31.29 1wms h MET 24 CO 0.01 0.91 -0.11 -0.91 0.14 0.00 0.00 176.91 176.94 1wms h ASN 25 N 0.89 0.78 -0.48 1.39 2.35 -1.07 -1.61 115.58 117.83 1wms h ASN 25 Ca 0.19 -0.24 -0.01 0.00 -0.55 0.00 0.00 56.30 55.70 1wms h ASN 25 Cb 0.37 -0.21 -0.02 0.00 0.05 0.00 0.00 38.32 38.51 1wms h ASN 25 CO 0.00 0.91 0.28 -0.09 -1.65 0.00 0.00 177.43 176.88 1wms h ARG 26 N 0.71 0.65 -0.27 0.81 9.65 -0.75 0.10 114.38 125.29 1wms h ARG 26 Ca 0.12 -0.07 -0.03 0.00 -1.10 0.00 0.00 59.98 58.90 1wms h ARG 26 Cb 0.60 -0.13 -0.01 0.00 -1.39 0.00 0.00 29.97 29.03 1wms h ARG 26 CO 0.04 0.49 0.06 -0.92 2.80 0.00 0.00 179.97 182.44 1wms h TYR 27 N 0.63 0.46 0.17 2.20 3.20 -0.99 -0.26 116.97 122.37 1wms h TYR 27 Ca 0.17 -0.06 -0.30 0.00 3.14 0.00 0.00 58.73 61.68 1wms h TYR 27 Cb 0.02 -0.13 0.01 0.00 1.54 0.00 0.00 36.73 38.17 1wms h TYR 27 CO -0.02 0.52 -1.41 0.28 -1.64 0.00 0.00 178.16 175.89 1wms h VAL 28 N 0.26 1.32 -0.00 1.81 2.07 -1.18 -3.38 116.25 117.15 1wms h VAL 28 Ca 0.08 -2.86 0.00 0.00 0.82 0.00 0.00 66.70 64.74 1wms h VAL 28 Cb 0.30 2.92 0.00 0.00 -1.52 0.00 0.00 31.29 32.99 1wms h VAL 28 CO 0.00 0.85 -0.31 0.35 0.02 0.00 0.00 177.57 178.48 1wms n THR 29 N -3.57 0.00 -3.48 2.57 -2.24 0.35 -4.99 114.28 102.92 1wms n THR 29 Ca -0.14 -0.34 -0.25 0.00 -2.27 0.00 0.00 64.05 61.05 1wms n THR 29 Cb 1.06 1.02 0.04 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 -0.98 -5.54 -4.21 3.42 5.15 -0.11 -5.01 115.26 107.97 1wms n ASN 30 Ca 0.02 -0.51 -0.21 0.00 -0.60 0.00 0.00 54.58 53.28 1wms n ASN 30 Cb 0.13 -4.44 -0.12 0.00 -0.53 0.00 0.00 39.78 34.82 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 -6.17 0.96 -0.07 1.20 1.02 -1.26 -5.02 119.74 110.40 1wms s LYS 31 Ca 0.50 -1.01 -0.00 0.00 0.02 0.00 0.00 55.97 55.47 1wms s LYS 31 Cb -0.24 -1.07 0.02 0.00 -0.52 0.00 0.00 37.83 36.03 1wms s LYS 31 CO 0.62 0.25 -0.03 0.12 -0.92 0.00 0.00 175.35 175.38 1wms s PHE 32 N -1.17 0.93 -0.19 3.18 5.36 -1.26 -3.51 117.98 121.31 1wms s PHE 32 Ca 0.02 -0.34 -0.01 0.00 -0.96 0.00 0.00 56.93 55.64 1wms s PHE 32 Cb -0.10 -0.89 0.05 0.00 -0.34 0.00 0.00 43.02 41.75 1wms s PHE 32 CO 0.03 -0.34 -0.02 0.16 -1.46 0.00 0.00 175.22 173.59 1wms s ASP 33 N 1.58 3.13 0.00 6.13 -4.77 -1.26 -5.10 116.67 116.39 1wms s ASP 33 Ca 0.00 -0.86 0.00 0.00 -3.30 0.00 0.00 52.55 48.39 1wms s ASP 33 Cb -0.13 -0.86 0.00 0.00 -1.09 0.00 0.00 42.92 40.84 1wms s ASP 33 CO -0.04 -0.25 0.00 0.35 0.70 0.00 0.00 175.17 175.93 1wms n THR 34 N 4.89 0.00 -5.08 2.11 -2.24 -1.26 -5.13 114.28 107.56 1wms n THR 34 Ca -0.11 0.00 -0.29 0.00 -2.27 0.00 0.00 64.05 61.38 1wms n THR 34 Cb 0.46 0.00 -0.16 0.00 -2.10 0.00 0.00 70.33 68.53 1wms n THR 34 CO 0.00 0.00 0.00 0.28 -0.57 0.00 0.00 175.07 174.78 1wms s THR 39 N 0.00 1.78 -1.00 4.28 -1.32 -1.26 -5.09 115.64 113.03 1wms s THR 39 Ca 0.00 -0.91 0.22 0.00 -1.21 0.00 0.00 61.69 59.78 1wms s THR 39 Cb 0.00 -1.51 -0.20 0.00 -1.51 0.00 0.00 72.50 69.28 1wms s THR 39 CO 0.00 0.50 0.97 2.30 -2.21 0.00 0.00 174.62 176.18 1wms n ILE 40 N 3.02 0.00 -2.97 5.08 -0.00 -1.26 -4.86 119.36 118.37 1wms n ILE 40 Ca -0.18 -0.00 0.00 0.00 -0.00 0.00 0.00 62.75 62.57 1wms n ILE 40 Cb 0.52 0.90 0.00 0.00 -0.00 0.00 0.00 39.64 41.07 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 1.50 5.75 3.76 3.28 0.00 -1.26 -3.14 105.19 115.07 1wms n GLY 41 Ca 0.04 -2.07 -0.41 0.00 0.00 0.00 0.00 46.02 43.59 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 0.86 3.23 0.01 1.61 1.01 -1.26 -4.13 120.40 121.72 1wms s VAL 42 Ca 0.00 1.18 0.01 0.00 0.00 0.00 0.00 61.98 63.17 1wms s VAL 42 Cb 0.00 -3.75 -0.01 0.00 0.00 0.00 0.00 36.38 32.62 1wms s VAL 42 CO 0.00 0.26 -0.03 -0.70 0.00 0.00 0.00 175.10 174.63 1wms s GLU 43 N -1.26 0.23 0.01 2.72 2.12 -0.76 -5.03 118.70 116.73 1wms s GLU 43 Ca 0.48 -0.31 0.00 0.00 0.36 0.00 0.00 54.97 55.51 1wms s GLU 43 Cb -0.35 -0.08 -0.01 0.00 0.26 0.00 0.00 34.13 33.95 1wms s GLU 43 CO 0.44 0.01 -0.02 -0.59 -0.54 0.00 0.00 175.26 174.56 1wms s PHE 44 N -0.62 0.20 0.15 5.30 -0.71 -1.26 -0.95 117.98 120.09 1wms s PHE 44 Ca -0.06 -0.38 0.08 0.00 -1.04 0.00 0.00 56.93 55.53 1wms s PHE 44 Cb -0.05 -0.14 -0.04 0.00 -1.21 0.00 0.00 43.02 41.58 1wms s PHE 44 CO -0.00 -0.13 -0.18 -0.51 -1.34 0.00 0.00 175.22 173.05 1wms s LEU 45 N -1.05 2.42 0.10 -1.99 1.43 -0.43 -4.95 118.68 114.21 1wms s LEU 45 Ca -0.11 -0.84 0.08 0.00 -1.03 0.00 0.00 54.13 52.23 1wms s LEU 45 Cb -0.07 -0.80 -0.04 0.00 0.03 0.00 0.00 46.19 45.31 1wms s LEU 45 CO -0.01 -0.04 -0.13 0.20 0.23 0.00 0.00 176.35 176.60 1wms s ASN 46 N -2.55 4.18 -0.12 2.29 0.01 -1.26 -0.28 114.94 117.20 1wms s ASN 46 Ca 0.14 -0.45 -0.06 0.00 -0.71 0.00 0.00 52.86 51.78 1wms s ASN 46 Cb -0.06 -0.73 0.05 0.00 0.41 0.00 0.00 41.25 40.92 1wms s ASN 46 CO 0.06 0.18 0.29 -0.75 -1.51 0.00 0.00 177.10 175.37 1wms s LYS 47 N -2.12 0.26 0.09 -0.60 2.20 0.12 -5.00 119.74 114.69 1wms s LYS 47 Ca 0.20 0.60 -0.28 0.00 -0.36 0.00 0.00 55.97 56.13 1wms s LYS 47 Cb -0.11 -0.09 -0.06 0.00 -1.51 0.00 0.00 37.83 36.06 1wms s LYS 47 CO 0.12 -0.16 0.87 -0.51 -0.36 0.00 0.00 175.35 175.31 1wms s ASP 48 N 1.29 7.38 0.07 1.43 1.01 -1.26 -0.46 116.67 126.13 1wms s ASP 48 Ca -0.09 1.65 0.01 0.00 0.71 0.00 0.00 52.55 54.82 1wms s ASP 48 Cb -0.10 -2.53 -0.00 0.00 1.01 0.00 0.00 42.92 41.30 1wms s ASP 48 CO -0.10 -0.00 0.07 0.00 0.21 0.00 0.00 175.17 175.35 1wms n LEU 49 N 2.65 0.00 -3.83 1.23 -0.00 -0.05 -4.96 117.00 112.03 1wms n LEU 49 Ca -0.00 -0.58 -0.12 0.00 -0.00 0.00 0.00 56.01 55.30 1wms n LEU 49 Cb 0.49 0.41 -0.12 0.00 -0.00 0.00 0.00 43.42 44.20 1wms n LEU 49 CO 0.49 -0.11 -0.20 -0.70 -0.00 0.00 0.00 177.39 176.87 1wms s GLU 50 N -2.21 0.24 -0.05 1.47 2.12 -1.26 -1.73 118.70 117.28 1wms s GLU 50 Ca 0.07 0.07 -0.00 0.00 0.36 0.00 0.00 54.97 55.47 1wms s GLU 50 Cb 0.00 0.11 0.03 0.00 0.26 0.00 0.00 34.13 34.52 1wms s GLU 50 CO 0.05 -0.04 -0.02 0.08 -0.54 0.00 0.00 175.26 174.79 1wms s VAL 51 N -0.24 0.39 -1.29 3.70 1.01 -0.32 -4.83 120.40 118.83 1wms s VAL 51 Ca -0.03 0.02 -0.07 0.00 0.00 0.00 0.00 61.98 61.89 1wms s VAL 51 Cb -0.03 -0.49 0.05 0.00 0.00 0.00 0.00 36.38 35.92 1wms s VAL 51 CO 0.00 0.22 0.45 0.47 0.00 0.00 0.00 175.10 176.24 1wms n ASP 52 N 4.49 -4.08 0.00 3.32 8.00 -1.26 -0.96 116.55 126.06 1wms n ASP 52 Ca -0.18 -0.30 0.00 0.00 0.71 0.00 0.00 54.79 55.02 1wms n ASP 52 Cb 0.50 -3.37 0.00 0.00 -0.02 0.00 0.00 41.12 38.23 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 -1.18 0.92 3.67 0.44 0.00 -1.26 -5.03 105.19 102.76 1wms n GLY 53 Ca -0.05 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.63 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 -3.60 3.24 0.05 1.61 3.76 -0.13 -5.08 115.29 115.14 1wms s HIS 54 Ca 0.00 0.14 -0.31 0.00 -0.15 0.00 0.00 55.06 54.75 1wms s HIS 54 Cb 0.00 -1.92 -0.06 0.00 1.11 0.00 0.00 32.58 31.71 1wms s HIS 54 CO 0.00 0.35 1.30 -0.06 -0.85 0.00 0.00 174.74 175.48 1wms s PHE 55 N -0.36 3.23 0.07 1.40 0.08 -1.26 -1.17 117.98 119.97 1wms s PHE 55 Ca 0.08 1.08 -0.01 0.00 0.12 0.00 0.00 56.93 58.20 1wms s PHE 55 Cb -0.12 -3.56 -0.04 0.00 -0.57 0.00 0.00 43.02 38.73 1wms s PHE 55 CO 0.02 -1.88 -0.01 0.14 -0.10 0.00 0.00 175.22 173.38 1wms s VAL 56 N 1.47 0.25 -0.02 -0.44 -7.23 -0.70 -4.29 120.40 109.43 1wms s VAL 56 Ca 0.61 -1.85 0.05 0.00 -1.81 0.00 0.00 61.98 58.98 1wms s VAL 56 Cb -0.32 -1.66 -0.01 0.00 0.56 0.00 0.00 36.38 34.95 1wms s VAL 56 CO 0.28 -0.86 -0.16 -0.89 -0.31 0.00 0.00 175.10 173.17 1wms s THR 57 N -3.92 1.25 -0.13 5.32 2.01 0.18 -0.87 115.64 119.48 1wms s THR 57 Ca 0.11 -0.66 -0.05 0.00 0.31 0.00 0.00 61.69 61.41 1wms s THR 57 Cb 0.08 -1.06 -0.04 0.00 0.01 0.00 0.00 72.50 71.50 1wms s THR 57 CO -0.07 0.36 0.03 -0.32 -0.69 0.00 0.00 174.62 173.93 1wms s MET 58 N -0.22 3.50 -0.24 4.92 1.75 0.39 -0.75 119.30 128.63 1wms s MET 58 Ca 0.03 -0.38 -0.01 0.00 -1.25 0.00 0.00 55.69 54.08 1wms s MET 58 Cb -0.08 -2.99 0.03 0.00 2.84 0.00 0.00 34.83 34.63 1wms s MET 58 CO 0.00 0.47 -0.08 -1.14 -0.65 0.00 0.00 175.02 173.62 1wms s GLN 59 N -0.23 2.75 -0.26 4.11 0.74 0.21 -0.71 119.66 126.28 1wms s GLN 59 Ca 0.06 -1.02 -0.10 0.00 0.05 0.00 0.00 55.36 54.35 1wms s GLN 59 Cb -0.12 -2.93 -0.04 0.00 1.10 0.00 0.00 33.01 31.02 1wms s GLN 59 CO 0.02 -0.41 0.15 0.42 -0.55 0.00 0.00 175.29 174.92 1wms s ILE 60 N 1.28 5.01 -0.14 -2.34 1.01 0.61 -0.93 121.20 125.71 1wms s ILE 60 Ca -0.01 0.06 -0.04 0.00 0.00 0.00 0.00 60.65 60.66 1wms s ILE 60 Cb -0.17 -3.36 -0.03 0.00 0.01 0.00 0.00 42.46 38.90 1wms s ILE 60 CO -0.05 0.29 0.02 0.26 0.00 0.00 0.00 174.94 175.46 1wms s TRP 61 N 1.58 3.18 -0.35 3.97 0.52 0.24 -1.31 118.94 126.77 1wms s TRP 61 Ca 0.07 0.04 -0.00 0.00 0.02 0.00 0.00 56.10 56.23 1wms s TRP 61 Cb -0.15 -1.93 0.09 0.00 -1.15 0.00 0.00 33.47 30.33 1wms s TRP 61 CO 0.08 0.25 0.09 0.34 0.02 0.00 0.00 176.95 177.73 1wms s ASP 62 N -0.17 4.97 0.00 2.95 -1.08 -0.13 -1.06 116.67 122.15 1wms s ASP 62 Ca 0.05 -1.87 0.21 0.00 -0.52 0.00 0.00 52.55 50.42 1wms s ASP 62 Cb -0.12 -1.72 0.53 0.00 -1.46 0.00 0.00 42.92 40.15 1wms s ASP 62 CO 0.02 -0.41 1.44 0.35 0.52 0.00 0.00 175.17 177.09 1wms n THR 63 N 4.48 0.53 0.43 1.71 -2.24 -1.26 -1.83 114.28 116.10 1wms n THR 63 Ca -0.03 -0.66 -0.19 0.00 -2.27 0.00 0.00 64.05 60.90 1wms n THR 63 Cb 0.42 0.61 -0.09 0.00 -2.10 0.00 0.00 70.33 69.17 1wms n THR 63 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1wms h ALA 64 N 4.23 -1.16 -0.79 6.98 0.00 -1.87 -3.44 119.26 123.21 1wms h ALA 64 Ca 0.00 -0.24 0.00 0.00 0.00 0.00 0.00 54.91 54.67 1wms h ALA 64 Cb 0.78 0.50 0.00 0.00 0.00 0.00 0.00 17.79 19.08 1wms h ALA 64 CO 0.00 -1.16 0.00 0.41 0.00 0.00 0.00 179.25 178.50 1wms n GLY 65 N -1.59 0.90 3.64 0.00 0.00 -1.26 -4.58 105.19 102.30 1wms n GLY 65 Ca -0.15 -0.76 -0.43 0.00 0.00 0.00 0.00 46.02 44.68 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 4.01 0.40 1.61 -0.21 -1.19 -4.87 119.66 119.42 1wms s GLN 66 Ca 0.00 1.32 0.14 0.00 0.02 0.00 0.00 55.36 56.84 1wms s GLN 66 Cb 0.00 -3.83 0.99 0.00 1.00 0.00 0.00 33.01 31.17 1wms s GLN 66 CO 0.00 -0.99 1.87 1.49 -2.12 0.00 0.00 175.29 175.53 1wms h GLU 67 N 8.87 0.49 0.00 2.91 4.57 -1.94 -0.25 114.58 129.22 1wms h GLU 67 Ca -0.25 -0.03 0.00 0.00 -1.18 0.00 0.00 59.36 57.90 1wms h GLU 67 Cb 1.09 -0.11 0.00 0.00 -0.16 0.00 0.00 28.75 29.57 1wms h GLU 67 CO 1.02 0.32 0.00 0.07 -1.18 0.00 0.00 179.01 179.24 1wms h ARG 68 N 0.50 0.00 -0.48 1.92 0.11 -1.97 -1.65 114.38 112.82 1wms h ARG 68 Ca 0.45 0.00 -0.07 0.00 0.10 0.00 0.00 59.98 60.46 1wms h ARG 68 Cb 0.98 0.00 -0.04 0.00 1.11 0.00 0.00 29.97 32.02 1wms h ARG 68 CO -0.18 0.00 0.06 1.19 0.10 0.00 0.00 179.97 181.14 1wms n PHE 69 N -2.33 1.66 -0.25 4.08 3.01 -0.11 -4.72 117.46 118.80 1wms n PHE 69 Ca 0.02 -0.97 0.17 0.00 1.01 0.00 0.00 57.45 57.68 1wms n PHE 69 Cb 0.23 -0.48 0.48 0.00 -0.01 0.00 0.00 39.48 39.70 1wms n PHE 69 CO 0.00 0.00 0.00 0.07 1.01 0.00 0.00 176.76 177.84 1wms h ARG 70 N 2.60 0.45 0.00 -1.08 0.11 -1.21 0.34 114.38 115.60 1wms h ARG 70 Ca 0.08 -0.03 0.00 0.00 0.10 0.00 0.00 59.98 60.13 1wms h ARG 70 Cb 1.84 -0.10 0.00 0.00 1.11 0.00 0.00 29.97 32.82 1wms h ARG 70 CO 0.44 0.30 0.00 0.66 0.10 0.00 0.00 179.97 181.47 1wms h SER 71 N 0.47 0.00 0.44 0.08 4.64 -1.86 -1.66 113.55 115.67 1wms h SER 71 Ca 0.47 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.79 1wms h SER 71 Cb 1.07 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.16 1wms h SER 71 CO -0.19 0.00 -0.51 0.18 -0.87 0.00 0.00 176.83 175.44 1wms n LEU 72 N -3.00 0.59 -0.05 5.97 4.77 0.10 -4.18 117.00 121.19 1wms n LEU 72 Ca -0.01 -0.06 -0.12 0.00 -0.03 0.00 0.00 56.01 55.79 1wms n LEU 72 Cb 0.19 -0.22 -0.14 0.00 -2.33 0.00 0.00 43.42 40.92 1wms n LEU 72 CO 0.23 0.14 -0.86 -2.11 -1.33 0.00 0.00 177.39 173.46 1wms n ARG 73 N -1.42 0.67 0.27 3.23 1.85 -0.63 -4.41 116.66 116.22 1wms n ARG 73 Ca 0.06 0.18 0.12 0.00 -1.00 0.00 0.00 57.85 57.21 1wms n ARG 73 Cb 0.34 -1.67 0.74 0.00 -1.05 0.00 0.00 32.46 30.82 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 0.71 -0.12 8.89 1.35 -1.70 -1.73 112.91 120.32 1wms h THR 74 Ca -0.42 -0.32 0.04 0.00 -0.55 0.00 0.00 66.41 65.16 1wms h THR 74 Cb 2.07 1.19 -0.00 0.00 -1.73 0.00 0.00 68.15 69.68 1wms h THR 74 CO 0.05 0.08 0.19 -0.65 -0.25 0.00 0.00 175.52 174.94 1wms h PRO 75 N 0.00 0.00 -0.00 4.72 0.11 -1.80 -0.75 132.00 134.28 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 0.19 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.30 1wms h PRO 75 CO 0.01 0.00 -0.06 1.19 -0.21 0.00 0.00 178.00 178.93 1wms n PHE 76 N -3.54 0.00 -0.02 0.65 3.72 -0.65 -2.97 117.46 114.65 1wms n PHE 76 Ca 0.00 0.00 -0.07 0.00 -0.05 0.00 0.00 57.45 57.33 1wms n PHE 76 Cb 0.29 -0.12 0.11 0.00 -0.94 0.00 0.00 39.48 38.81 1wms n PHE 76 CO 0.00 0.00 0.00 1.88 -0.05 0.00 0.00 176.76 178.59 1wms h TYR 77 N 0.62 0.71 -3.51 1.38 -1.99 -1.25 -3.45 116.97 109.49 1wms h TYR 77 Ca 0.00 -0.19 -0.56 0.00 2.00 0.00 0.00 58.73 59.97 1wms h TYR 77 Cb 0.29 -0.16 0.11 0.00 2.00 0.00 0.00 36.73 38.97 1wms h TYR 77 CO 0.00 0.88 0.56 0.54 -0.00 0.00 0.00 178.16 180.15 1wms n ARG 78 N -4.05 2.20 -0.10 4.88 1.74 -1.16 -2.35 116.66 117.81 1wms n ARG 78 Ca -0.01 0.77 0.00 0.00 -0.77 0.00 0.00 57.85 57.84 1wms n ARG 78 Cb 0.49 -2.42 0.00 0.00 -1.02 0.00 0.00 32.46 29.52 1wms n ARG 78 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1wms n GLY 79 N 0.71 1.44 3.77 -0.13 0.00 -1.26 -5.00 105.19 104.72 1wms n GLY 79 Ca 0.04 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.65 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 -3.06 6.50 -0.04 1.61 0.01 -0.99 -4.69 113.70 113.04 1wms s SER 80 Ca 0.00 2.90 0.17 0.00 1.31 0.00 0.00 55.95 60.33 1wms s SER 80 Cb 0.00 -2.66 -0.21 0.00 0.21 0.00 0.00 66.02 63.36 1wms s SER 80 CO 0.00 -0.76 0.53 0.47 0.41 0.00 0.00 173.24 173.90 1wms n ASP 81 N 0.87 0.48 -3.73 2.44 8.00 0.99 -4.97 116.55 120.62 1wms n ASP 81 Ca 0.02 0.22 -0.14 0.00 0.71 0.00 0.00 54.79 55.59 1wms n ASP 81 Cb 0.40 0.66 -0.09 0.00 -0.02 0.00 0.00 41.12 42.07 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 0.74 5.47 -0.23 0.00 1.02 0.11 -1.68 118.68 124.11 1wms s LEU 84 Ca -0.09 -1.25 -0.23 0.00 0.02 0.00 0.00 54.13 52.58 1wms s LEU 84 Cb -0.16 -2.26 -0.01 0.00 0.02 0.00 0.00 46.19 43.77 1wms s LEU 84 CO -0.00 -0.76 0.75 -0.76 0.02 0.00 0.00 176.35 175.61 1wms s LEU 85 N 1.97 4.09 -0.06 1.79 1.43 -0.33 -1.46 118.68 126.11 1wms s LEU 85 Ca 0.07 0.94 0.05 0.00 -1.03 0.00 0.00 54.13 54.17 1wms s LEU 85 Cb -0.23 -3.07 -0.02 0.00 0.03 0.00 0.00 46.19 42.90 1wms s LEU 85 CO 0.08 -0.44 -0.22 -0.89 0.23 0.00 0.00 176.35 175.11 1wms s THR 86 N 2.58 2.36 0.31 5.49 2.01 0.22 -0.95 115.64 127.66 1wms s THR 86 Ca 0.32 -0.96 0.03 0.00 0.31 0.00 0.00 61.69 61.39 1wms s THR 86 Cb -0.16 -1.88 -0.05 0.00 0.01 0.00 0.00 72.50 70.42 1wms s THR 86 CO 0.08 0.57 0.11 0.72 -0.69 0.00 0.00 174.62 175.41 1wms s PHE 87 N -0.27 1.71 -0.10 4.92 -0.71 -0.27 -4.14 117.98 119.12 1wms s PHE 87 Ca 0.00 -1.18 0.00 0.00 -1.04 0.00 0.00 56.93 54.71 1wms s PHE 87 Cb -0.13 -1.04 -0.02 0.00 -1.21 0.00 0.00 43.02 40.62 1wms s PHE 87 CO 0.03 -0.28 -0.09 0.45 -1.34 0.00 0.00 175.22 173.99 1wms s SER 88 N -3.42 4.42 0.28 1.98 0.15 -1.26 -0.76 113.70 115.08 1wms s SER 88 Ca 0.34 -0.15 0.24 0.00 0.70 0.00 0.00 55.95 57.08 1wms s SER 88 Cb 0.06 -1.36 1.03 0.00 -1.71 0.00 0.00 66.02 64.04 1wms s SER 88 CO 0.15 0.27 1.71 1.33 1.20 0.00 0.00 173.24 177.90 1wms n VAL 89 N 2.86 0.86 0.28 4.45 0.24 -0.23 -0.97 118.33 125.81 1wms n VAL 89 Ca -0.18 0.31 0.08 0.00 -2.04 0.00 0.00 64.34 62.52 1wms n VAL 89 Cb 0.53 -1.26 0.23 0.00 -1.47 0.00 0.00 33.84 31.87 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 -2.27 2.93 -3.59 -1.34 5.75 -1.26 -0.29 116.55 116.48 1wms n ASP 90 Ca 0.01 -2.07 -0.29 0.00 -0.01 0.00 0.00 54.79 52.43 1wms n ASP 90 Cb 0.20 -0.38 -0.13 0.00 -1.03 0.00 0.00 41.12 39.78 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 -0.95 3.42 0.24 -1.12 -1.08 -0.15 -4.56 116.67 112.48 1wms s ASP 91 Ca 0.35 -2.14 -0.05 0.00 -0.52 0.00 0.00 52.55 50.19 1wms s ASP 91 Cb 0.19 -0.67 0.43 0.00 -1.46 0.00 0.00 42.92 41.41 1wms s ASP 91 CO 0.22 -0.33 1.74 -1.28 0.52 0.00 0.00 175.17 176.05 1wms h SER 92 N 7.25 0.33 -0.77 -0.34 0.87 -1.83 -2.15 113.55 116.90 1wms h SER 92 Ca -0.02 0.09 0.00 0.00 -1.23 0.00 0.00 61.79 60.64 1wms h SER 92 Cb 0.97 0.06 -0.04 0.00 -0.44 0.00 0.00 62.40 62.95 1wms h SER 92 CO 0.39 0.15 0.50 -0.61 -0.53 0.00 0.00 176.83 176.73 1wms h GLN 93 N 0.49 1.03 -0.32 2.24 5.75 -1.94 -0.50 115.11 121.86 1wms h GLN 93 Ca 0.40 -0.07 -0.02 0.00 -0.15 0.00 0.00 58.65 58.81 1wms h GLN 93 Cb 0.56 -0.23 -0.02 0.00 1.07 0.00 0.00 27.48 28.86 1wms h GLN 93 CO -0.36 0.69 0.12 0.66 -2.65 0.00 0.00 178.83 177.29 1wms h SER 94 N 1.05 0.40 -0.22 -0.69 4.64 -1.73 -1.39 113.55 115.61 1wms h SER 94 Ca 0.28 -0.04 -0.09 0.00 -0.47 0.00 0.00 61.79 61.47 1wms h SER 94 Cb -0.10 -0.10 -0.00 0.00 -0.31 0.00 0.00 62.40 61.88 1wms h SER 94 CO -0.06 0.37 -0.22 0.15 -0.87 0.00 0.00 176.83 176.20 1wms h PHE 95 N 0.45 0.65 -0.02 4.77 3.57 -1.14 -3.10 116.94 122.12 1wms h PHE 95 Ca 0.11 -0.20 -0.00 0.00 3.53 0.00 0.00 57.97 61.42 1wms h PHE 95 Cb 0.10 -0.14 -0.00 0.00 2.79 0.00 0.00 35.95 38.70 1wms h PHE 95 CO 0.00 0.88 0.01 1.96 -2.23 0.00 0.00 178.31 178.94 1wms h GLN 96 N 0.23 0.03 0.00 1.11 1.08 -0.67 -1.95 115.11 114.94 1wms h GLN 96 Ca 0.03 -0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.23 1wms h GLN 96 Cb 0.77 -0.01 0.00 0.00 -0.05 0.00 0.00 27.48 28.20 1wms h GLN 96 CO 0.06 0.03 0.00 0.09 -0.95 0.00 0.00 178.83 178.05 1wms n ASN 97 N -4.53 0.00 -0.28 1.46 5.03 -0.56 -4.08 115.26 112.30 1wms n ASN 97 Ca -0.03 -0.86 -0.05 0.00 0.87 0.00 0.00 54.58 54.52 1wms n ASN 97 Cb 0.09 -0.00 0.07 0.00 -1.02 0.00 0.00 39.78 38.92 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 0.00 0.92 -0.63 3.41 3.38 -1.41 -1.62 115.31 119.36 1wms h LEU 98 Ca 0.00 -0.05 0.03 0.00 0.09 0.00 0.00 57.88 57.96 1wms h LEU 98 Cb 0.00 -0.23 -0.04 0.00 0.09 0.00 0.00 40.66 40.48 1wms h LEU 98 CO 0.00 0.69 0.38 0.28 0.09 0.00 0.00 178.44 179.88 1wms h SER 99 N 1.06 0.61 0.48 -0.43 0.02 -1.82 -1.01 113.55 112.46 1wms h SER 99 Ca 0.28 0.01 -0.11 0.00 -0.84 0.00 0.00 61.79 61.13 1wms h SER 99 Cb -0.07 -0.12 -0.01 0.00 0.14 0.00 0.00 62.40 62.33 1wms h SER 99 CO -0.06 0.42 -0.51 0.78 -1.14 0.00 0.00 176.83 176.33 1wms h ASN 100 N 0.74 0.04 -0.68 3.07 2.35 -1.74 -1.37 115.58 118.00 1wms h ASN 100 Ca 0.26 -0.02 -0.05 0.00 -0.55 0.00 0.00 56.30 55.94 1wms h ASN 100 Cb 0.05 -0.01 -0.03 0.00 0.05 0.00 0.00 38.32 38.38 1wms h ASN 100 CO -0.12 0.54 0.24 -0.50 -1.65 0.00 0.00 177.43 175.95 1wms h TRP 101 N 0.03 1.06 -0.71 1.19 4.06 -0.72 -0.66 115.95 120.20 1wms h TRP 101 Ca -0.00 -0.09 -0.01 0.00 2.06 0.00 0.00 58.89 60.84 1wms h TRP 101 Cb 0.91 -0.31 -0.03 0.00 -1.00 0.00 0.00 29.16 28.73 1wms h TRP 101 CO 0.00 0.84 0.39 -0.22 -3.56 0.00 0.00 178.44 175.89 1wms h LYS 102 N 0.97 1.00 -0.62 0.49 3.64 -0.90 -0.89 116.57 120.26 1wms h LYS 102 Ca 0.22 -0.12 -0.04 0.00 -1.27 0.00 0.00 60.65 59.45 1wms h LYS 102 Cb 0.25 -0.19 -0.03 0.00 -0.41 0.00 0.00 32.23 31.85 1wms h LYS 102 CO -0.01 0.74 0.23 0.87 -2.27 0.00 0.00 179.45 179.02 1wms h LYS 103 N 0.98 0.93 -0.14 1.90 1.57 -0.98 -1.06 116.57 119.78 1wms h LYS 103 Ca 0.25 -0.18 -0.00 0.00 -1.87 0.00 0.00 60.65 58.85 1wms h LYS 103 Cb 0.04 -0.15 -0.01 0.00 0.08 0.00 0.00 32.23 32.19 1wms h LYS 103 CO -0.04 0.80 0.08 1.49 -0.57 0.00 0.00 179.45 181.21 1wms h GLU 104 N 0.87 0.20 -0.01 3.15 4.81 -0.80 -0.61 114.58 122.18 1wms h GLU 104 Ca 0.20 -0.02 0.02 0.00 -0.13 0.00 0.00 59.36 59.43 1wms h GLU 104 Cb 0.22 -0.04 -0.02 0.00 0.63 0.00 0.00 28.75 29.54 1wms h GLU 104 CO -0.01 0.21 -0.11 0.35 -0.73 0.00 0.00 179.01 178.71 1wms h PHE 105 N 0.13 -0.27 -0.76 0.92 3.57 -1.01 -1.33 116.94 118.20 1wms h PHE 105 Ca 0.05 0.01 -0.04 0.00 3.53 0.00 0.00 57.97 61.52 1wms h PHE 105 Cb 0.07 0.12 -0.03 0.00 2.79 0.00 0.00 35.95 38.90 1wms h PHE 105 CO -0.04 -0.16 0.31 0.82 -2.23 0.00 0.00 178.31 177.01 1wms h ILE 106 N -0.18 1.25 -0.15 1.41 2.04 -1.01 0.12 117.51 120.99 1wms h ILE 106 Ca 0.04 -0.78 -0.02 0.00 1.00 0.00 0.00 64.86 65.10 1wms h ILE 106 Cb 0.23 0.35 -0.01 0.00 -0.74 0.00 0.00 36.82 36.66 1wms h ILE 106 CO -0.12 0.32 0.02 0.22 0.00 0.00 0.00 178.15 178.59 1wms h TYR 107 N 1.09 0.27 0.00 1.37 3.20 -0.94 -3.30 116.97 118.66 1wms h TYR 107 Ca 0.25 -0.04 -0.06 0.00 3.14 0.00 0.00 58.73 62.03 1wms h TYR 107 Cb 0.20 -0.07 -0.01 0.00 1.54 0.00 0.00 36.73 38.38 1wms h TYR 107 CO 0.02 0.43 -0.74 1.88 -1.64 0.00 0.00 178.16 178.11 1wms h TYR 108 N 0.03 0.00 -3.38 -3.82 0.05 -1.07 -3.45 116.97 105.33 1wms h TYR 108 Ca 0.05 0.00 -0.47 0.00 0.05 0.00 0.00 58.73 58.35 1wms h TYR 108 Cb 0.31 0.00 0.04 0.00 1.01 0.00 0.00 36.73 38.09 1wms h TYR 108 CO 0.02 0.22 0.08 0.00 -1.05 0.00 0.00 178.16 177.43 1wms s ALA 109 N -3.16 3.45 -0.31 3.88 0.00 0.41 -4.65 121.76 121.38 1wms s ALA 109 Ca 0.02 -0.77 0.05 0.00 0.00 0.00 0.00 51.96 51.26 1wms s ALA 109 Cb 0.08 -2.46 0.18 0.00 0.00 0.00 0.00 23.12 20.91 1wms s ALA 109 CO 0.76 -0.60 0.51 -0.51 0.00 0.00 0.00 175.76 175.92 1wms s ASP 110 N -4.24 -0.66 0.00 0.00 1.01 -1.26 -4.85 116.67 106.66 1wms s ASP 110 Ca 0.51 -0.30 0.00 0.00 0.71 0.00 0.00 52.55 53.47 1wms s ASP 110 Cb -0.10 1.57 0.00 0.00 1.01 0.00 0.00 42.92 45.40 1wms s ASP 110 CO 0.43 -0.30 0.00 -1.84 0.21 0.00 0.00 175.17 173.67 1wms n GLU 115 N 5.16 0.00 0.00 8.23 -0.00 -1.26 -4.68 120.64 128.10 1wms n GLU 115 Ca 0.05 0.00 0.03 0.00 -0.00 0.00 0.00 57.16 57.24 1wms n GLU 115 Cb 0.52 0.00 0.02 0.00 -0.00 0.00 0.00 31.44 31.98 1wms n GLU 115 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.13 176.00 1wms n SER 116 N 1.99 1.34 -4.74 -1.84 3.41 -1.26 -5.05 113.62 107.47 1wms n SER 116 Ca 0.00 -1.17 -0.42 0.00 -0.26 0.00 0.00 58.87 57.02 1wms n SER 116 Cb 0.00 0.14 -0.01 0.00 -0.26 0.00 0.00 64.21 64.08 1wms n SER 116 CO 0.00 0.00 0.00 0.33 -0.16 0.00 0.00 175.04 175.21 1wms n PHE 117 N 0.14 2.74 -2.77 7.33 7.35 -1.26 -4.92 117.46 126.07 1wms n PHE 117 Ca 0.03 0.33 -0.42 0.00 -0.76 0.00 0.00 57.45 56.63 1wms n PHE 117 Cb 0.15 -2.56 -0.03 0.00 0.35 0.00 0.00 39.48 37.39 1wms n PHE 117 CO 0.00 0.00 0.00 -1.25 -0.76 0.00 0.00 176.76 174.75 1wms s PRO 118 N -0.79 4.51 0.07 -7.13 0.04 -1.26 -5.03 135.00 125.41 1wms s PRO 118 Ca 0.63 1.31 0.08 0.00 0.04 0.00 0.00 61.00 63.05 1wms s PRO 118 Cb -0.52 -3.47 -0.04 0.00 0.04 0.00 0.00 34.50 30.51 1wms s PRO 118 CO 0.52 -0.07 -0.18 -0.06 0.04 0.00 0.00 177.00 177.25 1wms s PHE 119 N 1.14 2.56 -0.04 0.56 0.08 -1.26 -2.06 117.98 118.96 1wms s PHE 119 Ca 0.49 -0.26 0.05 0.00 0.12 0.00 0.00 56.93 57.33 1wms s PHE 119 Cb -0.20 -1.41 -0.01 0.00 -0.57 0.00 0.00 43.02 40.83 1wms s PHE 119 CO 0.25 0.32 -0.19 0.08 -0.10 0.00 0.00 175.22 175.57 1wms s VAL 120 N -1.03 1.54 -0.15 -0.44 1.01 -0.68 -4.25 120.40 116.42 1wms s VAL 120 Ca 0.16 -0.80 -0.02 0.00 0.00 0.00 0.00 61.98 61.32 1wms s VAL 120 Cb -0.11 -1.31 -0.02 0.00 0.00 0.00 0.00 36.38 34.95 1wms s VAL 120 CO 0.08 0.44 -0.08 -0.63 0.00 0.00 0.00 175.10 174.91 1wms s ILE 121 N -0.16 3.47 -0.16 2.22 -1.09 -0.27 -1.19 121.20 124.02 1wms s ILE 121 Ca 0.00 -0.51 -0.00 0.00 -2.23 0.00 0.00 60.65 57.91 1wms s ILE 121 Cb -0.10 -2.50 -0.00 0.00 -1.58 0.00 0.00 42.46 38.27 1wms s ILE 121 CO 0.01 0.50 -0.14 -0.76 -1.23 0.00 0.00 174.94 173.32 1wms s LEU 122 N 0.45 2.53 -0.54 2.97 1.43 -0.13 -1.32 118.68 124.06 1wms s LEU 122 Ca -0.06 -0.45 -0.11 0.00 -1.03 0.00 0.00 54.13 52.47 1wms s LEU 122 Cb -0.15 -1.58 0.14 0.00 0.03 0.00 0.00 46.19 44.63 1wms s LEU 122 CO 0.04 0.08 0.44 -0.83 0.23 0.00 0.00 176.35 176.31 1wms s GLY 123 N 0.84 2.16 0.47 -3.19 0.00 -0.09 -1.11 107.32 106.40 1wms s GLY 123 Ca -0.04 -2.69 -0.02 0.00 0.00 0.00 0.00 44.72 41.97 1wms s GLY 123 CO -0.00 1.15 0.72 0.21 0.00 0.00 0.00 173.10 175.18 1wms s ASN 124 N 2.71 5.99 -0.25 1.64 2.47 0.06 -0.79 114.94 126.76 1wms s ASN 124 Ca 0.07 0.57 -0.01 0.00 0.42 0.00 0.00 52.86 53.91 1wms s ASN 124 Cb -0.25 -1.85 0.00 0.00 -1.45 0.00 0.00 41.25 37.70 1wms s ASN 124 CO -0.01 -0.66 0.16 0.29 -3.72 0.00 0.00 177.10 173.15 1wms n LYS 125 N -2.17 -1.12 0.00 0.43 5.02 -0.48 -1.07 118.16 118.77 1wms n LYS 125 Ca 0.01 0.15 0.10 0.00 -2.02 0.00 0.00 58.31 56.55 1wms n LYS 125 Cb 0.57 -3.27 0.48 0.00 -0.02 0.00 0.00 35.03 32.79 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 -3.18 0.49 0.32 -0.18 -5.35 -0.84 -1.94 119.36 108.68 1wms n ILE 126 Ca -0.01 0.12 0.13 0.00 -0.27 0.00 0.00 62.75 62.72 1wms n ILE 126 Cb 0.52 -0.76 0.57 0.00 -1.74 0.00 0.00 39.64 38.22 1wms n ILE 126 CO 0.00 0.00 0.00 -2.24 -1.76 0.00 0.00 176.55 172.55 1wms h ASP 127 N 0.00 0.00 -3.98 7.28 2.03 -1.92 -3.45 116.42 116.39 1wms h ASP 127 Ca 0.00 0.00 -0.46 0.00 -0.73 0.00 0.00 57.03 55.84 1wms h ASP 127 Cb 0.31 0.00 -0.01 0.00 -0.83 0.00 0.00 39.33 38.80 1wms h ASP 127 CO 0.00 0.00 0.36 -0.63 -1.03 0.00 0.00 179.24 177.94 1wms s ILE 128 N -3.45 4.15 0.01 4.15 1.01 -0.82 -5.00 121.20 121.25 1wms s ILE 128 Ca 0.02 1.56 0.01 0.00 0.00 0.00 0.00 60.65 62.23 1wms s ILE 128 Cb 0.09 -3.76 -0.26 0.00 0.01 0.00 0.00 42.46 38.54 1wms s ILE 128 CO 0.36 -0.08 0.87 0.28 0.00 0.00 0.00 174.94 176.38 1wms h SER 129 N 2.48 0.28 -2.80 3.58 0.02 -1.90 -3.42 113.55 111.79 1wms h SER 129 Ca -0.48 -0.40 -0.66 0.00 -0.84 0.00 0.00 61.79 59.41 1wms h SER 129 Cb 1.19 -0.09 -0.17 0.00 0.14 0.00 0.00 62.40 63.48 1wms h SER 129 CO 0.63 1.33 0.36 -1.61 -1.14 0.00 0.00 176.83 176.40 1wms s GLU 130 N -2.63 3.09 0.02 3.45 0.41 -1.26 -5.05 118.70 116.74 1wms s GLU 130 Ca -0.07 -1.00 -0.05 0.00 -0.41 0.00 0.00 54.97 53.44 1wms s GLU 130 Cb 0.07 -4.23 -0.05 0.00 -1.78 0.00 0.00 34.13 28.15 1wms s GLU 130 CO 0.84 -1.68 0.25 1.03 -0.49 0.00 0.00 175.26 175.22 1wms s ARG 131 N 3.48 3.53 0.00 1.61 0.52 -1.26 -4.47 118.95 122.36 1wms s ARG 131 Ca 0.18 -0.18 0.12 0.00 -0.52 0.00 0.00 55.73 55.33 1wms s ARG 131 Cb -0.20 -3.05 -0.08 0.00 0.52 0.00 0.00 34.95 32.14 1wms s ARG 131 CO 0.09 0.63 0.61 1.04 0.02 0.00 0.00 175.30 177.70 1wms n GLN 132 N 0.87 2.51 -3.90 3.54 6.02 0.60 -4.92 117.38 122.09 1wms n GLN 132 Ca -0.10 -0.31 -0.27 0.00 -0.01 0.00 0.00 57.00 56.32 1wms n GLN 132 Cb 0.52 -1.12 -0.17 0.00 1.02 0.00 0.00 30.24 30.50 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 -1.91 1.03 0.63 5.09 1.01 -0.95 -4.68 120.40 120.63 1wms s VAL 133 Ca 0.07 -0.33 -0.12 0.00 0.00 0.00 0.00 61.98 61.60 1wms s VAL 133 Cb 0.10 -1.07 -0.03 0.00 0.00 0.00 0.00 36.38 35.37 1wms s VAL 133 CO 0.42 0.33 1.04 -0.94 0.00 0.00 0.00 175.10 175.95 1wms s SER 134 N 1.70 5.98 0.21 3.32 1.04 -1.26 -4.90 113.70 119.80 1wms s SER 134 Ca 0.04 1.51 -0.10 0.00 0.48 0.00 0.00 55.95 57.89 1wms s SER 134 Cb -0.13 -2.48 0.17 0.00 0.10 0.00 0.00 66.02 63.67 1wms s SER 134 CO -0.08 -1.04 1.88 0.74 0.98 0.00 0.00 173.24 175.72 1wms h THR 135 N -0.29 1.20 -0.68 2.02 2.02 -2.00 -1.88 112.91 113.31 1wms h THR 135 Ca -0.44 -0.38 0.00 0.00 0.77 0.00 0.00 66.41 66.35 1wms h THR 135 Cb 1.20 0.07 -0.03 0.00 -1.74 0.00 0.00 68.15 67.64 1wms h THR 135 CO 0.60 0.20 0.42 -0.33 0.37 0.00 0.00 175.52 176.78 1wms h GLU 136 N 1.06 0.91 -0.73 6.66 3.07 -1.99 0.27 114.58 123.83 1wms h GLU 136 Ca 0.28 -0.07 -0.03 0.00 -0.50 0.00 0.00 59.36 59.05 1wms h GLU 136 Cb -0.11 -0.20 -0.03 0.00 -0.84 0.00 0.00 28.75 27.57 1wms h GLU 136 CO -0.06 0.63 0.35 0.93 -1.40 0.00 0.00 179.01 179.46 1wms h GLU 137 N 0.92 1.05 -0.35 2.33 5.08 -1.83 -0.49 114.58 121.29 1wms h GLU 137 Ca 0.25 -0.16 -0.06 0.00 -1.00 0.00 0.00 59.36 58.39 1wms h GLU 137 Cb -0.06 -0.19 -0.01 0.00 0.50 0.00 0.00 28.75 28.99 1wms h GLU 137 CO -0.05 0.83 0.00 0.00 -1.00 0.00 0.00 179.01 178.79 1wms h ALA 138 N 1.17 0.48 -0.91 3.43 0.00 -0.87 -1.84 119.26 120.73 1wms h ALA 138 Ca 0.25 -0.25 -0.00 0.00 0.00 0.00 0.00 54.91 54.91 1wms h ALA 138 Cb 0.12 -0.13 -0.04 0.00 0.00 0.00 0.00 17.79 17.73 1wms h ALA 138 CO -0.03 0.24 0.56 1.96 0.00 0.00 0.00 179.25 181.98 1wms h GLN 139 N 0.44 1.22 -0.58 0.00 4.20 -0.76 -1.62 115.11 118.01 1wms h GLN 139 Ca 0.10 -0.10 -0.02 0.00 0.06 0.00 0.00 58.65 58.69 1wms h GLN 139 Cb 0.46 -0.26 -0.03 0.00 0.30 0.00 0.00 27.48 27.95 1wms h GLN 139 CO 0.02 0.84 0.29 0.00 -0.67 0.00 0.00 178.83 179.31 1wms h ALA 140 N 1.31 0.74 -0.53 3.87 0.00 -0.87 -0.20 119.26 123.58 1wms h ALA 140 Ca 0.33 -0.12 -0.01 0.00 0.00 0.00 0.00 54.91 55.11 1wms h ALA 140 Cb -0.08 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.46 1wms h ALA 140 CO -0.06 0.29 0.28 2.35 0.00 0.00 0.00 179.25 182.11 1wms h TRP 141 N 0.78 0.73 -0.59 0.00 7.01 -1.02 -1.18 115.95 121.69 1wms h TRP 141 Ca 0.20 -0.02 -0.07 0.00 2.11 0.00 0.00 58.89 61.11 1wms h TRP 141 Cb 0.09 -0.23 -0.02 0.00 -2.10 0.00 0.00 29.16 26.89 1wms h TRP 141 CO -0.01 0.54 0.09 0.00 -2.79 0.00 0.00 178.44 176.28 1wms h ARG 143 N 0.88 0.88 -0.00 0.00 3.08 -0.71 0.92 114.38 119.44 1wms h ARG 143 Ca 0.18 -0.10 0.00 0.00 0.07 0.00 0.00 59.98 60.13 1wms h ARG 143 Cb 0.42 -0.18 0.00 0.00 0.08 0.00 0.00 29.97 30.30 1wms h ARG 143 CO 0.01 0.66 -0.51 -0.25 -1.07 0.00 0.00 179.97 178.80 1wms n ASP 144 N -4.37 0.67 -1.72 7.04 8.00 -0.47 -3.37 116.55 122.32 1wms n ASP 144 Ca 0.06 -0.46 -0.10 0.00 0.71 0.00 0.00 54.79 55.00 1wms n ASP 144 Cb 0.11 0.32 0.08 0.00 -0.02 0.00 0.00 41.12 41.60 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 -1.34 3.26 0.00 -2.24 3.02 -0.51 -4.88 115.26 112.58 1wms n ASN 145 Ca 0.06 -3.40 0.00 0.00 -0.03 0.00 0.00 54.58 51.22 1wms n ASN 145 Cb 0.34 -0.41 0.00 0.00 -0.61 0.00 0.00 39.78 39.10 1wms n ASN 145 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1wms n GLY 146 N -0.71 0.75 3.74 7.41 0.00 -1.24 -4.79 105.19 110.36 1wms n GLY 146 Ca 0.29 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 46.07 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 -2.65 -4.82 1.61 2.03 0.31 -4.96 116.55 108.07 1wms n ASP 147 Ca 0.00 -0.77 -0.33 0.00 0.52 0.00 0.00 54.79 54.21 1wms n ASP 147 Cb 0.00 -4.15 -0.03 0.00 -0.72 0.00 0.00 41.12 36.22 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 -3.52 3.20 0.41 -0.67 2.02 -1.15 -4.92 117.35 112.72 1wms s TYR 148 Ca 0.24 1.54 -0.27 0.00 -0.37 0.00 0.00 57.07 58.21 1wms s TYR 148 Cb -0.12 -2.92 -0.10 0.00 -0.40 0.00 0.00 41.96 38.43 1wms s TYR 148 CO 0.81 -0.59 1.45 -2.14 -1.57 0.00 0.00 175.55 173.50 1wms s PRO 149 N -3.67 3.89 -0.07 -1.71 0.02 -1.26 -4.75 135.00 127.45 1wms s PRO 149 Ca 0.63 2.48 0.03 0.00 0.02 0.00 0.00 61.00 64.16 1wms s PRO 149 Cb -0.13 -2.81 0.01 0.00 0.02 0.00 0.00 34.50 31.59 1wms s PRO 149 CO 0.26 -0.67 -0.17 -0.47 -0.33 0.00 0.00 177.00 175.62 1wms s TYR 150 N -1.17 1.88 -0.08 6.54 5.04 -1.26 -1.12 117.35 127.19 1wms s TYR 150 Ca 0.57 -0.70 0.03 0.00 -2.44 0.00 0.00 57.07 54.52 1wms s TYR 150 Cb -0.45 -1.30 0.01 0.00 0.35 0.00 0.00 41.96 40.57 1wms s TYR 150 CO 0.59 -0.31 -0.16 -0.06 -1.34 0.00 0.00 175.55 174.28 1wms s PHE 151 N 0.46 1.77 -0.41 4.97 0.40 -0.44 -4.99 117.98 119.75 1wms s PHE 151 Ca -0.14 -0.68 -0.22 0.00 -0.60 0.00 0.00 56.93 55.29 1wms s PHE 151 Cb -0.16 -1.25 0.02 0.00 0.51 0.00 0.00 43.02 42.13 1wms s PHE 151 CO 0.05 -0.32 0.70 -1.21 0.70 0.00 0.00 175.22 175.15 1wms s GLU 152 N 0.58 3.51 0.24 0.44 2.02 -1.26 -0.92 118.70 123.31 1wms s GLU 152 Ca -0.16 -0.07 0.11 0.00 0.02 0.00 0.00 54.97 54.87 1wms s GLU 152 Cb -0.16 -3.88 -0.05 0.00 0.10 0.00 0.00 34.13 30.14 1wms s GLU 152 CO 0.05 -0.93 -0.13 0.95 0.02 0.00 0.00 175.26 175.22 1wms s THR 153 N 2.96 2.86 -0.15 3.63 -4.23 0.03 -4.51 115.64 116.23 1wms s THR 153 Ca 0.26 -2.08 -0.03 0.00 -1.18 0.00 0.00 61.69 58.67 1wms s THR 153 Cb -0.13 -2.48 0.05 0.00 1.34 0.00 0.00 72.50 71.28 1wms s THR 153 CO 0.18 -0.30 0.06 -0.55 -0.54 0.00 0.00 174.62 173.47 1wms s SER 154 N -3.30 2.28 0.37 3.99 0.15 -0.70 -1.39 113.70 115.10 1wms s SER 154 Ca 0.28 -0.52 0.13 0.00 0.70 0.00 0.00 55.95 56.53 1wms s SER 154 Cb -0.07 -0.37 0.72 0.00 -1.71 0.00 0.00 66.02 64.59 1wms s SER 154 CO 0.16 -0.30 1.82 0.00 1.20 0.00 0.00 173.24 176.12 1wms h ALA 155 N 8.35 1.37 -0.59 5.45 0.00 -1.90 0.19 119.26 132.13 1wms h ALA 155 Ca -0.16 -0.34 -0.07 0.00 0.00 0.00 0.00 54.91 54.35 1wms h ALA 155 Cb 1.13 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.84 1wms h ALA 155 CO 0.28 0.47 0.11 -0.22 0.00 0.00 0.00 179.25 179.89 1wms h LYS 156 N 0.00 0.96 -0.08 0.00 3.64 -1.94 -3.30 116.57 115.85 1wms h LYS 156 Ca -0.00 -0.25 0.00 0.00 -1.27 0.00 0.00 60.65 59.13 1wms h LYS 156 Cb 0.67 -0.12 0.00 0.00 -0.41 0.00 0.00 32.23 32.37 1wms h LYS 156 CO 0.05 0.90 0.00 -0.40 -2.27 0.00 0.00 179.45 177.73 1wms n ASP 157 N -4.33 1.96 0.00 4.20 5.68 -1.17 -4.89 116.55 117.99 1wms n ASP 157 Ca 0.03 -1.52 0.00 0.00 -0.50 0.00 0.00 54.79 52.79 1wms n ASP 157 Cb 0.26 -0.05 0.00 0.00 -1.14 0.00 0.00 41.12 40.20 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 0.39 0.00 -1.69 2.12 0.00 0.64 -5.00 120.51 116.97 1wms n ALA 158 Ca 0.06 0.00 -0.51 0.00 0.00 0.00 0.00 53.44 52.99 1wms n ALA 158 Cb 0.25 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 19.65 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 -2.06 0.42 -1.06 0.00 -1.04 -1.08 -1.84 114.28 107.62 1wms n THR 159 Ca 0.00 -0.08 -0.05 0.00 -2.04 0.00 0.00 64.05 61.88 1wms n THR 159 Cb 0.00 -1.60 -0.02 0.00 -1.82 0.00 0.00 70.33 66.89 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 5.79 -5.20 0.01 8.00 3.02 -1.26 -1.73 115.26 123.89 1wms n ASN 160 Ca 0.23 0.13 -0.13 0.00 -0.03 0.00 0.00 54.58 54.78 1wms n ASN 160 Cb 0.24 -3.49 -0.09 0.00 -0.61 0.00 0.00 39.78 35.83 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 1.25 -0.48 2.41 2.07 -1.67 -1.83 116.25 118.00 1wms h VAL 161 Ca -0.10 -0.97 -0.08 0.00 0.82 0.00 0.00 66.70 66.37 1wms h VAL 161 Cb 0.97 1.89 -0.02 0.00 -1.52 0.00 0.00 31.29 32.61 1wms h VAL 161 CO 0.15 0.24 -0.02 0.00 0.02 0.00 0.00 177.57 177.96 1wms h ALA 162 N 0.45 1.06 -0.96 1.67 0.00 -1.90 -2.60 119.26 116.98 1wms h ALA 162 Ca -0.01 -0.28 0.04 0.00 0.00 0.00 0.00 54.91 54.66 1wms h ALA 162 Cb 0.44 -0.19 -0.06 0.00 0.00 0.00 0.00 17.79 17.99 1wms h ALA 162 CO 0.01 0.58 0.63 0.00 0.00 0.00 0.00 179.25 180.48 1wms h ALA 163 N 1.22 1.38 -0.27 0.00 0.00 -1.92 0.14 119.26 119.81 1wms h ALA 163 Ca 0.14 -0.05 -0.04 0.00 0.00 0.00 0.00 54.91 54.97 1wms h ALA 163 Cb 0.49 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 17.92 1wms h ALA 163 CO 0.02 0.53 0.02 0.00 0.00 0.00 0.00 179.25 179.82 1wms h ALA 164 N 1.44 0.36 -0.36 0.00 0.00 -0.94 -1.11 119.26 118.64 1wms h ALA 164 Ca 0.38 -0.21 -0.13 0.00 0.00 0.00 0.00 54.91 54.96 1wms h ALA 164 Cb 0.01 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.69 1wms h ALA 164 CO -0.12 0.08 -0.29 0.74 0.00 0.00 0.00 179.25 179.66 1wms h PHE 165 N 0.26 0.88 -0.34 0.00 0.04 -1.27 -2.10 116.94 114.41 1wms h PHE 165 Ca 0.08 -0.22 -0.07 0.00 2.80 0.00 0.00 57.97 60.56 1wms h PHE 165 Cb 0.39 -0.20 -0.02 0.00 2.20 0.00 0.00 35.95 38.32 1wms h PHE 165 CO 0.03 0.96 -0.08 0.93 -0.60 0.00 0.00 178.31 179.55 1wms h GLU 166 N 0.65 0.57 -0.37 1.51 5.08 -0.64 -1.97 114.58 119.40 1wms h GLU 166 Ca 0.08 -0.16 -0.06 0.00 -1.00 0.00 0.00 59.36 58.22 1wms h GLU 166 Cb 0.81 -0.06 -0.02 0.00 0.50 0.00 0.00 28.75 29.98 1wms h GLU 166 CO 0.07 0.65 -0.02 1.49 -1.00 0.00 0.00 179.01 180.20 1wms h GLU 167 N 0.53 0.60 -0.57 2.33 4.57 -0.98 -2.29 114.58 118.77 1wms h GLU 167 Ca 0.10 -0.14 0.00 0.00 -1.18 0.00 0.00 59.36 58.14 1wms h GLU 167 Cb 0.47 -0.08 -0.03 0.00 -0.16 0.00 0.00 28.75 28.95 1wms h GLU 167 CO 0.03 0.64 0.37 0.00 -1.18 0.00 0.00 179.01 178.86 1wms h ALA 168 N 1.42 0.73 -0.49 2.92 0.00 -0.66 0.14 119.26 123.30 1wms h ALA 168 Ca 0.12 -0.05 -0.11 0.00 0.00 0.00 0.00 54.91 54.86 1wms h ALA 168 Cb 0.39 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.93 1wms h ALA 168 CO 0.02 0.18 -0.15 0.28 0.00 0.00 0.00 179.25 179.57 1wms h VAL 169 N 0.77 1.27 -0.85 0.00 2.07 -1.25 -2.25 116.25 116.01 1wms h VAL 169 Ca 0.21 -1.29 0.04 0.00 0.82 0.00 0.00 66.70 66.48 1wms h VAL 169 Cb -0.07 1.04 -0.05 0.00 -1.52 0.00 0.00 31.29 30.69 1wms h VAL 169 CO -0.04 0.45 0.54 -0.09 0.02 0.00 0.00 177.57 178.44 1wms h ARG 170 N 0.83 1.00 -0.12 1.57 9.65 -0.81 -2.06 114.38 124.44 1wms h ARG 170 Ca 0.12 -0.06 -0.07 0.00 -1.10 0.00 0.00 59.98 58.88 1wms h ARG 170 Cb 0.70 -0.23 -0.01 0.00 -1.39 0.00 0.00 29.97 29.04 1wms h ARG 170 CO 0.05 0.66 -0.22 0.00 2.80 0.00 0.00 179.97 183.26 1wms h ARG 171 N 1.03 0.21 -0.31 0.20 2.47 -0.23 0.12 114.38 117.88 1wms h ARG 171 Ca 0.35 -0.06 -0.03 0.00 -1.26 0.00 0.00 59.98 58.98 1wms h ARG 171 Cb 0.06 -0.02 -0.01 0.00 -1.65 0.00 0.00 29.97 28.34 1wms h ARG 171 CO -0.13 0.43 0.08 0.28 0.56 0.00 0.00 179.97 181.19 1wms h VAL 172 N 0.20 1.21 -0.79 2.04 2.07 -0.92 -1.26 116.25 118.80 1wms h VAL 172 Ca 0.03 -0.70 -0.01 0.00 0.82 0.00 0.00 66.70 66.84 1wms h VAL 172 Cb 0.51 1.09 -0.04 0.00 -1.52 0.00 0.00 31.29 31.33 1wms h VAL 172 CO 0.03 0.24 0.47 -0.07 0.02 0.00 0.00 177.57 178.26 1wms h LEU 173 N 0.34 0.95 -0.79 2.57 3.38 -0.84 -3.01 115.31 117.91 1wms h LEU 173 Ca 0.10 -0.06 -0.12 0.00 0.09 0.00 0.00 57.88 57.89 1wms h LEU 173 Cb 0.28 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.77 1wms h LEU 173 CO -0.00 0.74 -0.59 0.00 0.09 0.00 0.00 178.44 178.67 1wms h ALA 174 N 1.43 1.00 -0.02 1.53 0.00 -0.61 -3.52 119.26 119.07 1wms h ALA 174 Ca 0.28 -0.54 0.00 0.00 0.00 0.00 0.00 54.91 54.66 1wms h ALA 174 Cb -0.04 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.66 1wms h ALA 174 CO -0.05 0.74 0.00 2.41 0.00 0.00 0.00 179.25 182.35