#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wtm n GLY -1 N 0.00 1.02 3.91 5.00 0.00 0.04 -5.00 105.19 110.16 2wtm n GLY -1 Ca 0.00 -1.14 -0.32 0.00 0.00 0.00 0.00 46.02 44.56 2wtm n GLY -1 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2wtm s ALA 0 N -1.77 3.95 0.25 4.61 0.00 -1.26 -0.25 121.76 127.28 2wtm s ALA 0 Ca 0.14 -0.75 -0.15 0.00 0.00 0.00 0.00 51.96 51.20 2wtm s ALA 0 Cb -0.03 -1.91 0.01 0.00 0.00 0.00 0.00 23.12 21.18 2wtm s ALA 0 CO 0.06 0.77 0.54 0.00 0.00 0.00 0.00 175.76 177.13 2wtm s MET 1 N -2.30 1.57 -0.14 0.00 0.00 -0.14 -4.99 119.30 113.31 2wtm s MET 1 Ca 0.33 -1.14 -0.02 0.00 0.00 0.00 0.00 55.69 54.86 2wtm s MET 1 Cb -0.13 0.51 -0.02 0.00 0.00 0.00 0.00 34.83 35.19 2wtm s MET 1 CO 0.24 -0.67 -0.09 0.71 0.00 0.00 0.00 175.02 175.21 2wtm s TYR 2 N -3.98 2.91 -0.27 3.16 2.02 -1.26 -0.80 117.35 119.14 2wtm s TYR 2 Ca 0.18 -0.49 -0.10 0.00 -0.37 0.00 0.00 57.07 56.29 2wtm s TYR 2 Cb -0.02 -1.90 -0.05 0.00 -0.40 0.00 0.00 41.96 39.60 2wtm s TYR 2 CO 0.07 -0.13 0.17 0.42 -1.57 0.00 0.00 175.55 174.50 2wtm s ILE 3 N 0.36 5.15 0.16 2.71 1.01 0.30 -4.89 121.20 125.99 2wtm s ILE 3 Ca -0.08 0.11 -0.30 0.00 0.00 0.00 0.00 60.65 60.38 2wtm s ILE 3 Cb -0.15 -3.44 -0.07 0.00 0.01 0.00 0.00 42.46 38.80 2wtm s ILE 3 CO 0.04 0.27 1.16 -0.62 0.00 0.00 0.00 174.94 175.80 2wtm s ASP 4 N 1.68 7.15 -0.49 3.58 2.15 -1.26 -0.93 116.67 128.55 2wtm s ASP 4 Ca 0.07 2.15 0.03 0.00 0.43 0.00 0.00 52.55 55.22 2wtm s ASP 4 Cb -0.16 -2.60 0.15 0.00 -0.30 0.00 0.00 42.92 40.01 2wtm s ASP 4 CO 0.09 -0.33 0.31 0.00 -0.17 0.00 0.00 175.17 175.07 2wtm n ASP 6 N 3.11 -1.65 0.00 0.00 8.00 -1.26 -0.96 116.55 123.80 2wtm n ASP 6 Ca 0.14 -0.87 0.00 0.00 0.71 0.00 0.00 54.79 54.78 2wtm n ASP 6 Cb 0.37 -3.88 0.00 0.00 -0.02 0.00 0.00 41.12 37.59 2wtm n ASP 6 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2wtm n GLY 7 N -1.64 2.66 3.63 0.44 0.00 -1.26 -4.98 105.19 104.05 2wtm n GLY 7 Ca -0.27 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.32 2wtm n GLY 7 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2wtm s ILE 8 N -0.75 3.88 -0.07 -0.61 -1.09 -0.13 -5.01 121.20 117.41 2wtm s ILE 8 Ca 0.00 1.00 -0.26 0.00 -2.23 0.00 0.00 60.65 59.17 2wtm s ILE 8 Cb 0.00 -3.86 -0.03 0.00 -1.58 0.00 0.00 42.46 36.99 2wtm s ILE 8 CO 0.00 -0.32 0.82 -0.54 -1.23 0.00 0.00 174.94 173.67 2wtm s LYS 9 N 4.37 4.44 -0.27 2.79 1.02 -1.26 -0.54 119.74 130.29 2wtm s LYS 9 Ca 0.65 1.08 -0.10 0.00 0.02 0.00 0.00 55.97 57.62 2wtm s LYS 9 Cb -0.22 -3.48 -0.04 0.00 -0.52 0.00 0.00 37.83 33.56 2wtm s LYS 9 CO 0.26 -0.07 0.15 -0.51 -0.92 0.00 0.00 175.35 174.26 2wtm s LEU 10 N 1.20 3.85 0.18 3.17 1.43 -0.11 -1.54 118.68 126.88 2wtm s LEU 10 Ca 0.42 -0.10 -0.30 0.00 -1.03 0.00 0.00 54.13 53.12 2wtm s LEU 10 Cb -0.18 -2.06 -0.08 0.00 0.03 0.00 0.00 46.19 43.90 2wtm s LEU 10 CO 0.20 -0.05 1.21 0.21 0.23 0.00 0.00 176.35 178.14 2wtm s ASN 11 N 1.71 7.06 0.02 2.29 2.47 -1.26 -0.54 114.94 126.69 2wtm s ASN 11 Ca 0.07 2.25 -0.09 0.00 0.42 0.00 0.00 52.86 55.51 2wtm s ASN 11 Cb -0.16 -2.61 0.00 0.00 -1.45 0.00 0.00 41.25 37.04 2wtm s ASN 11 CO 0.09 -0.39 0.18 0.00 -3.72 0.00 0.00 177.10 173.26 2wtm s ALA 12 N -0.01 -0.38 -0.13 1.71 0.00 0.02 -0.75 121.76 122.23 2wtm s ALA 12 Ca 0.53 -0.19 0.03 0.00 0.00 0.00 0.00 51.96 52.33 2wtm s ALA 12 Cb -0.33 0.21 0.01 0.00 0.00 0.00 0.00 23.12 23.00 2wtm s ALA 12 CO 0.37 -0.30 -0.22 0.71 0.00 0.00 0.00 175.76 176.32 2wtm s TYR 13 N -2.08 2.66 -0.23 0.00 1.51 0.13 -0.96 117.35 118.37 2wtm s TYR 13 Ca -0.09 -1.25 -0.07 0.00 -1.01 0.00 0.00 57.07 54.65 2wtm s TYR 13 Cb -0.03 -1.80 -0.03 0.00 -0.11 0.00 0.00 41.96 39.98 2wtm s TYR 13 CO -0.01 -0.56 0.07 -1.17 -1.11 0.00 0.00 175.55 172.76 2wtm s LEU 14 N 0.72 3.49 -0.08 -1.29 2.96 0.65 -1.18 118.68 123.95 2wtm s LEU 14 Ca -0.09 -0.16 0.04 0.00 -0.22 0.00 0.00 54.13 53.70 2wtm s LEU 14 Cb -0.16 -1.92 -0.00 0.00 0.50 0.00 0.00 46.19 44.60 2wtm s LEU 14 CO 0.00 0.01 -0.23 -1.81 -1.32 0.00 0.00 176.35 173.00 2wtm s ASP 15 N 1.37 2.89 0.17 3.68 1.11 -0.32 -0.78 116.67 124.80 2wtm s ASP 15 Ca 0.05 -0.51 0.04 0.00 0.18 0.00 0.00 52.55 52.31 2wtm s ASP 15 Cb -0.15 -1.15 -0.04 0.00 1.07 0.00 0.00 42.92 42.66 2wtm s ASP 15 CO 0.03 0.17 0.23 -0.04 1.18 0.00 0.00 175.17 176.75 2wtm s MET 16 N 0.22 3.20 0.55 8.23 -1.94 -1.26 -0.99 119.30 127.31 2wtm s MET 16 Ca -0.14 -0.75 -0.21 0.00 -1.71 0.00 0.00 55.69 52.88 2wtm s MET 16 Cb -0.16 -2.81 -0.06 0.00 2.01 0.00 0.00 34.83 33.81 2wtm s MET 16 CO 0.07 0.49 1.18 -2.30 -0.01 0.00 0.00 175.02 174.44 2wtm n PRO 17 N -0.64 1.38 -0.20 2.03 -0.02 -1.26 -4.67 135.00 131.62 2wtm n PRO 17 Ca -0.08 0.51 0.20 0.00 -2.02 0.00 0.00 63.50 62.11 2wtm n PRO 17 Cb 0.55 -2.36 0.55 0.00 -0.02 0.00 0.00 33.50 32.22 2wtm n PRO 17 CO 0.00 0.00 0.00 1.57 1.98 0.00 0.00 175.50 179.05 2wtm h LYS 18 N 1.13 0.32 -0.02 -0.52 -0.00 -1.97 0.32 116.57 115.83 2wtm h LYS 18 Ca -0.49 -0.02 0.00 0.00 -0.00 0.00 0.00 60.65 60.14 2wtm h LYS 18 Cb 1.33 -0.07 0.00 0.00 -0.00 0.00 0.00 32.23 33.49 2wtm h LYS 18 CO 0.55 0.21 0.00 0.27 -0.00 0.00 0.00 179.45 180.48 2wtm n ASN 19 N -4.46 0.29 -3.81 7.07 0.23 -1.26 -4.95 115.26 108.36 2wtm n ASN 19 Ca 0.17 -1.33 -0.31 0.00 -0.53 0.00 0.00 54.58 52.58 2wtm n ASN 19 Cb 0.69 -0.01 0.01 0.00 -2.08 0.00 0.00 39.78 38.39 2wtm n ASN 19 CO 0.00 0.00 0.00 -3.20 -0.93 0.00 0.00 177.26 173.13 2wtm n ASN 20 N -0.66 -4.93 -4.77 0.53 2.85 0.10 -4.92 115.26 103.46 2wtm n ASN 20 Ca 0.17 -1.02 -0.33 0.00 -0.11 0.00 0.00 54.58 53.30 2wtm n ASN 20 Cb 0.13 -2.21 0.04 0.00 1.24 0.00 0.00 39.78 38.98 2wtm n ASN 20 CO 0.00 0.00 0.00 -2.16 -2.11 0.00 0.00 177.26 172.99 2wtm s PRO 21 N -5.78 2.86 0.32 1.20 0.04 -1.26 -4.93 135.00 127.45 2wtm s PRO 21 Ca 0.24 1.39 0.13 0.00 0.04 0.00 0.00 61.00 62.80 2wtm s PRO 21 Cb -0.12 -1.96 0.53 0.00 0.04 0.00 0.00 34.50 33.00 2wtm s PRO 21 CO 0.91 -1.21 1.70 1.05 0.04 0.00 0.00 177.00 179.49 2wtm h GLU 22 N 0.10 0.00 -3.57 4.56 9.09 -1.94 -3.43 114.58 119.39 2wtm h GLU 22 Ca -0.47 0.00 -0.29 0.00 0.05 0.00 0.00 59.36 58.65 2wtm h GLU 22 Cb 1.25 0.00 -0.33 0.00 -1.65 0.00 0.00 28.75 28.02 2wtm h GLU 22 CO 0.54 0.50 -0.73 0.15 0.05 0.00 0.00 179.01 179.53 2wtm s LYS 23 N -3.75 -0.02 0.23 1.06 -0.14 -1.26 -4.37 119.74 111.49 2wtm s LYS 23 Ca -0.01 0.15 -0.22 0.00 -1.36 0.00 0.00 55.97 54.52 2wtm s LYS 23 Cb 0.13 -0.20 0.04 0.00 -1.68 0.00 0.00 37.83 36.12 2wtm s LYS 23 CO 0.73 -0.13 0.68 0.00 -0.76 0.00 0.00 175.35 175.87 2wtm s PRO 25 N -3.83 1.47 -0.04 0.00 0.02 -1.26 -1.70 135.00 129.66 2wtm s PRO 25 Ca 0.07 0.61 0.02 0.00 0.02 0.00 0.00 61.00 61.72 2wtm s PRO 25 Cb -0.04 -1.85 0.02 0.00 0.02 0.00 0.00 34.50 32.65 2wtm s PRO 25 CO -0.01 -2.04 -0.06 -1.17 -0.33 0.00 0.00 177.00 173.38 2wtm s LEU 26 N -6.04 1.49 -0.18 -5.54 2.96 -0.13 -0.91 118.68 110.34 2wtm s LEU 26 Ca 0.63 -0.16 -0.04 0.00 -0.22 0.00 0.00 54.13 54.34 2wtm s LEU 26 Cb -0.16 -0.50 -0.02 0.00 0.50 0.00 0.00 46.19 46.01 2wtm s LEU 26 CO 0.55 -0.01 -0.03 0.00 -1.32 0.00 0.00 176.35 175.54 2wtm s ILE 28 N 0.79 4.82 -0.12 0.00 1.01 -0.40 -0.88 121.20 126.42 2wtm s ILE 28 Ca -0.01 1.58 0.01 0.00 0.00 0.00 0.00 60.65 62.23 2wtm s ILE 28 Cb -0.14 -4.09 0.02 0.00 0.01 0.00 0.00 42.46 38.25 2wtm s ILE 28 CO 0.02 0.33 -0.14 -0.63 0.00 0.00 0.00 174.94 174.52 2wtm s ILE 29 N 0.18 1.48 -0.16 2.92 1.01 -0.24 -0.71 121.20 125.68 2wtm s ILE 29 Ca 0.38 -0.61 0.01 0.00 0.00 0.00 0.00 60.65 60.43 2wtm s ILE 29 Cb -0.20 -1.37 0.00 0.00 0.01 0.00 0.00 42.46 40.90 2wtm s ILE 29 CO 0.22 0.44 -0.17 -0.63 0.00 0.00 0.00 174.94 174.80 2wtm s ILE 30 N 1.20 2.46 1.07 2.92 -1.09 -0.49 -2.56 121.20 124.71 2wtm s ILE 30 Ca -0.02 -0.83 -0.18 0.00 -2.23 0.00 0.00 60.65 57.38 2wtm s ILE 30 Cb -0.14 -2.03 0.25 0.00 -1.58 0.00 0.00 42.46 38.96 2wtm s ILE 30 CO -0.05 0.52 1.29 -1.38 -1.23 0.00 0.00 174.94 174.09 2wtm s HIS 31 N 0.91 0.95 0.33 3.97 -3.43 -1.26 -1.44 115.29 115.32 2wtm s HIS 31 Ca -0.04 0.26 0.05 0.00 -0.80 0.00 0.00 55.06 54.53 2wtm s HIS 31 Cb -0.15 -4.06 0.05 0.00 -1.43 0.00 0.00 32.58 26.99 2wtm s HIS 31 CO -0.02 -3.20 0.43 0.41 -2.00 0.00 0.00 174.74 170.36 2wtm n GLY 32 N -3.08 2.05 3.69 -1.38 0.00 -1.16 -2.65 105.19 102.66 2wtm n GLY 32 Ca 0.16 -2.19 -0.42 0.00 0.00 0.00 0.00 46.02 43.57 2wtm n GLY 32 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 2wtm s PHE 33 N -1.11 2.50 0.00 1.61 5.36 -1.26 -1.23 117.98 123.85 2wtm s PHE 33 Ca 0.33 0.43 0.00 0.00 -0.96 0.00 0.00 56.93 56.72 2wtm s PHE 33 Cb -0.03 -3.90 0.00 0.00 -0.34 0.00 0.00 43.02 38.76 2wtm s PHE 33 CO 0.21 -3.55 0.00 0.25 -1.46 0.00 0.00 175.22 170.67 2wtm n THR 34 N 4.74 0.00 -1.71 0.12 -2.24 -1.26 -5.01 114.28 108.92 2wtm n THR 34 Ca 0.15 0.00 -0.02 0.00 -2.27 0.00 0.00 64.05 61.91 2wtm n THR 34 Cb 0.41 -0.06 0.02 0.00 -2.10 0.00 0.00 70.33 68.60 2wtm n THR 34 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2wtm n GLY 35 N -2.00 -0.16 3.77 3.38 0.00 -0.37 -4.92 105.19 104.90 2wtm n GLY 35 Ca 0.00 -1.83 -0.04 0.00 0.00 0.00 0.00 46.02 44.16 2wtm n GLY 35 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 2wtm s HIS 36 N -0.65 -0.11 -0.89 1.61 -3.43 -1.26 -3.96 115.29 106.60 2wtm s HIS 36 Ca 0.07 -0.22 0.21 0.00 -0.80 0.00 0.00 55.06 54.32 2wtm s HIS 36 Cb -0.00 0.65 0.88 0.00 -1.43 0.00 0.00 32.58 32.68 2wtm s HIS 36 CO 0.05 -0.87 1.67 0.43 -2.00 0.00 0.00 174.74 174.02 2wtm n SER 37 N -0.56 0.19 -1.12 7.38 7.64 -1.26 -2.71 113.62 123.18 2wtm n SER 37 Ca -0.06 0.53 0.11 0.00 1.01 0.00 0.00 58.87 60.47 2wtm n SER 37 Cb 0.60 -0.58 0.26 0.00 -1.01 0.00 0.00 64.21 63.49 2wtm n SER 37 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 2wtm n GLU 38 N -1.69 2.44 -2.06 1.43 1.02 -1.26 -4.46 120.64 116.06 2wtm n GLU 38 Ca 0.05 -2.20 -0.35 0.00 -0.02 0.00 0.00 57.16 54.64 2wtm n GLU 38 Cb 0.26 -1.50 0.02 0.00 -0.02 0.00 0.00 31.44 30.20 2wtm n GLU 38 CO 0.00 0.00 0.00 -1.21 1.18 0.00 0.00 177.13 177.10 2wtm s GLU 39 N -1.38 3.10 0.19 3.49 2.02 -1.10 -4.76 118.70 120.27 2wtm s GLU 39 Ca 0.40 1.59 -0.15 0.00 0.02 0.00 0.00 54.97 56.83 2wtm s GLU 39 Cb 0.22 -1.97 0.18 0.00 0.10 0.00 0.00 34.13 32.66 2wtm s GLU 39 CO 0.31 -1.05 1.63 -0.09 0.02 0.00 0.00 175.26 176.08 2wtm h ARG 40 N 0.78 -0.02 -0.05 1.61 2.43 -1.94 0.08 114.38 117.28 2wtm h ARG 40 Ca -0.49 0.00 -0.11 0.00 -0.81 0.00 0.00 59.98 58.57 2wtm h ARG 40 Cb 1.26 0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 30.81 2wtm h ARG 40 CO 0.56 -0.02 -0.48 1.12 -1.51 0.00 0.00 179.97 179.64 2wtm h HIS 41 N -0.03 0.14 -0.07 2.20 2.07 -1.92 -1.39 115.15 116.16 2wtm h HIS 41 Ca 0.26 -0.04 -0.01 0.00 -2.85 0.00 0.00 60.37 57.73 2wtm h HIS 41 Cb 0.42 -0.03 -0.00 0.00 2.57 0.00 0.00 27.41 30.37 2wtm h HIS 41 CO -0.47 0.58 -0.00 0.82 -3.07 0.00 0.00 177.93 175.78 2wtm h ILE 42 N 0.10 1.25 -0.86 6.12 1.08 -1.61 -2.69 117.51 120.90 2wtm h ILE 42 Ca 0.00 -0.79 -0.03 0.00 -0.39 0.00 0.00 64.86 63.66 2wtm h ILE 42 Cb 0.89 1.64 -0.04 0.00 -3.07 0.00 0.00 36.82 36.24 2wtm h ILE 42 CO 0.07 0.22 0.42 0.58 -0.69 0.00 0.00 178.15 178.75 2wtm h VAL 43 N -0.17 1.26 -0.72 1.67 2.07 -0.91 -0.48 116.25 118.98 2wtm h VAL 43 Ca 0.02 -0.72 -0.06 0.00 0.82 0.00 0.00 66.70 66.75 2wtm h VAL 43 Cb 0.34 0.15 -0.03 0.00 -1.52 0.00 0.00 31.29 30.24 2wtm h VAL 43 CO 0.00 0.31 0.20 0.00 0.02 0.00 0.00 177.57 178.11 2wtm h ALA 44 N 1.23 1.00 -0.24 1.67 0.00 -1.23 0.22 119.26 121.92 2wtm h ALA 44 Ca 0.30 -0.23 -0.03 0.00 0.00 0.00 0.00 54.91 54.94 2wtm h ALA 44 Cb 0.11 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.61 2wtm h ALA 44 CO -0.04 0.66 0.02 0.28 0.00 0.00 0.00 179.25 180.17 2wtm h VAL 45 N 1.07 1.24 -0.70 0.00 2.07 -1.20 -1.81 116.25 116.91 2wtm h VAL 45 Ca 0.23 -0.82 0.09 0.00 0.82 0.00 0.00 66.70 67.02 2wtm h VAL 45 Cb 0.33 1.32 -0.07 0.00 -1.52 0.00 0.00 31.29 31.35 2wtm h VAL 45 CO -0.00 0.26 0.35 -0.61 0.02 0.00 0.00 177.57 177.58 2wtm h GLN 46 N 0.20 0.57 -0.31 1.57 -0.00 -0.77 -1.67 115.11 114.69 2wtm h GLN 46 Ca 0.07 -0.03 -0.18 0.00 -0.00 0.00 0.00 58.65 58.51 2wtm h GLN 46 Cb 0.36 -0.13 -0.00 0.00 0.00 0.00 0.00 27.48 27.71 2wtm h GLN 46 CO 0.01 0.38 -0.49 0.93 0.00 0.00 0.00 178.83 179.65 2wtm h GLU 47 N 0.59 0.87 -0.46 1.69 5.08 -0.82 -0.80 114.58 120.73 2wtm h GLU 47 Ca 0.35 -0.52 -0.00 0.00 -1.00 0.00 0.00 59.36 58.18 2wtm h GLU 47 Cb 0.37 0.05 -0.02 0.00 0.50 0.00 0.00 28.75 29.65 2wtm h GLU 47 CO -0.27 1.16 0.27 1.15 -1.00 0.00 0.00 179.01 180.32 2wtm h THR 48 N 0.68 1.15 -0.13 1.13 2.02 -1.08 -0.82 112.91 115.86 2wtm h THR 48 Ca 0.03 -0.35 0.00 0.00 0.77 0.00 0.00 66.41 66.86 2wtm h THR 48 Cb 1.09 0.55 -0.01 0.00 -1.74 0.00 0.00 68.15 68.04 2wtm h THR 48 CO 0.11 0.15 0.09 -0.07 0.37 0.00 0.00 175.52 176.17 2wtm h LEU 49 N 0.61 0.15 -1.10 2.58 3.38 -1.10 -2.42 115.31 117.41 2wtm h LEU 49 Ca 0.17 -0.00 0.08 0.00 0.09 0.00 0.00 57.88 58.21 2wtm h LEU 49 Cb 0.01 -0.04 -0.07 0.00 0.09 0.00 0.00 40.66 40.66 2wtm h LEU 49 CO -0.03 0.11 0.61 0.78 0.09 0.00 0.00 178.44 180.00 2wtm h ASN 50 N 0.18 0.93 0.22 -0.43 -0.26 -0.89 -1.53 115.58 113.80 2wtm h ASN 50 Ca 0.05 0.02 -0.05 0.00 -0.56 0.00 0.00 56.30 55.76 2wtm h ASN 50 Cb -0.02 -0.18 -0.01 0.00 -1.06 0.00 0.00 38.32 37.05 2wtm h ASN 50 CO -0.01 0.57 -0.22 -0.08 -1.06 0.00 0.00 177.43 176.63 2wtm h GLU 51 N 1.04 0.01 -0.41 0.81 4.81 -0.66 -2.22 114.58 117.96 2wtm h GLU 51 Ca 0.42 -0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.65 2wtm h GLU 51 Cb 0.27 -0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.65 2wtm h GLU 51 CO -0.17 0.23 0.00 0.44 -0.73 0.00 0.00 179.01 178.78 2wtm n ILE 52 N -4.27 0.54 -0.36 2.32 -5.35 -0.95 -4.93 119.36 106.36 2wtm n ILE 52 Ca -0.02 -0.61 0.00 0.00 -0.27 0.00 0.00 62.75 61.85 2wtm n ILE 52 Cb 0.28 0.45 0.00 0.00 -1.74 0.00 0.00 39.64 38.63 2wtm n ILE 52 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2wtm n GLY 53 N 1.30 0.85 3.35 3.28 0.00 -0.84 -5.06 105.19 108.08 2wtm n GLY 53 Ca 0.17 -0.36 -0.37 0.00 0.00 0.00 0.00 46.02 45.46 2wtm n GLY 53 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2wtm s VAL 54 N -2.00 3.97 0.73 1.61 1.01 -0.62 -4.29 120.40 120.81 2wtm s VAL 54 Ca 0.00 -0.65 -0.15 0.00 0.00 0.00 0.00 61.98 61.17 2wtm s VAL 54 Cb 0.00 -3.03 0.04 0.00 0.00 0.00 0.00 36.38 33.39 2wtm s VAL 54 CO 0.00 0.11 1.24 0.00 0.00 0.00 0.00 175.10 176.45 2wtm s ALA 55 N 1.51 2.11 0.05 5.51 0.00 -0.09 -2.66 121.76 128.18 2wtm s ALA 55 Ca 0.03 0.99 0.05 0.00 0.00 0.00 0.00 51.96 53.03 2wtm s ALA 55 Cb -0.17 -3.51 -0.02 0.00 0.00 0.00 0.00 23.12 19.42 2wtm s ALA 55 CO 0.02 -1.93 -0.14 0.95 0.00 0.00 0.00 175.76 174.67 2wtm s THR 56 N -1.82 1.08 -0.33 0.00 -4.23 -0.16 -0.33 115.64 109.85 2wtm s THR 56 Ca 0.77 -1.07 0.01 0.00 -1.18 0.00 0.00 61.69 60.23 2wtm s THR 56 Cb -0.32 -1.00 0.10 0.00 1.34 0.00 0.00 72.50 72.62 2wtm s THR 56 CO 0.45 -0.06 0.09 -0.22 -0.54 0.00 0.00 174.62 174.34 2wtm s LEU 57 N -1.28 3.24 -0.13 4.79 2.96 -0.06 -1.17 118.68 127.02 2wtm s LEU 57 Ca 0.00 -1.89 -0.21 0.00 -0.22 0.00 0.00 54.13 51.81 2wtm s LEU 57 Cb -0.08 -1.17 -0.03 0.00 0.50 0.00 0.00 46.19 45.40 2wtm s LEU 57 CO 0.01 -0.39 0.61 -0.13 -1.32 0.00 0.00 176.35 175.13 2wtm s ARG 58 N 1.27 4.32 -0.06 1.98 0.52 -0.33 -1.07 118.95 125.58 2wtm s ARG 58 Ca 0.11 0.66 0.04 0.00 -0.52 0.00 0.00 55.73 56.02 2wtm s ARG 58 Cb -0.18 -3.50 -0.00 0.00 0.52 0.00 0.00 34.95 31.79 2wtm s ARG 58 CO -0.17 -0.03 -0.19 0.00 0.02 0.00 0.00 175.30 174.92 2wtm s ALA 59 N 1.19 1.74 -0.16 2.13 0.00 -1.06 0.19 121.76 125.80 2wtm s ALA 59 Ca 0.31 -0.76 -0.29 0.00 0.00 0.00 0.00 51.96 51.21 2wtm s ALA 59 Cb -0.16 -0.62 -0.00 0.00 0.00 0.00 0.00 23.12 22.33 2wtm s ALA 59 CO 0.13 0.27 1.04 -0.51 0.00 0.00 0.00 175.76 176.69 2wtm s ASP 60 N 0.21 7.16 0.90 0.00 1.01 0.08 -4.43 116.67 121.59 2wtm s ASP 60 Ca -0.10 1.48 -0.13 0.00 0.71 0.00 0.00 52.55 54.51 2wtm s ASP 60 Cb -0.14 -2.55 0.14 0.00 1.01 0.00 0.00 42.92 41.37 2wtm s ASP 60 CO 0.04 -0.56 1.20 -0.04 0.21 0.00 0.00 175.17 176.02 2wtm s MET 61 N 2.59 1.24 0.13 8.23 -1.94 -1.26 -4.22 119.30 124.06 2wtm s MET 61 Ca 0.47 0.03 -0.35 0.00 -1.71 0.00 0.00 55.69 54.13 2wtm s MET 61 Cb -0.17 -1.87 -0.16 0.00 2.01 0.00 0.00 34.83 34.63 2wtm s MET 61 CO 0.13 -2.08 1.27 0.98 -0.01 0.00 0.00 175.02 175.31 2wtm n TYR 62 N -3.63 1.45 -0.98 -0.03 9.36 -1.26 -1.35 117.16 120.72 2wtm n TYR 62 Ca 0.10 0.64 0.00 0.00 3.32 0.00 0.00 57.90 61.96 2wtm n TYR 62 Cb 0.60 -2.32 0.00 0.00 -0.63 0.00 0.00 39.34 36.99 2wtm n TYR 62 CO 0.00 0.00 0.00 0.41 0.22 0.00 0.00 176.86 177.49 2wtm n GLY 63 N 2.32 0.55 3.24 2.98 0.00 -0.67 -4.76 105.19 108.84 2wtm n GLY 63 Ca 0.17 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 46.00 2wtm n GLY 63 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2wtm s HIS 64 N -2.35 1.43 0.00 1.61 3.76 -0.45 -3.16 115.29 116.13 2wtm s HIS 64 Ca 0.00 -0.52 0.00 0.00 -0.15 0.00 0.00 55.06 54.39 2wtm s HIS 64 Cb 0.00 -0.76 0.00 0.00 1.11 0.00 0.00 32.58 32.93 2wtm s HIS 64 CO 0.00 0.15 0.00 0.41 -0.85 0.00 0.00 174.74 174.45 2wtm n GLY 65 N 0.70 2.94 1.71 -2.22 0.00 -1.25 -1.40 105.19 105.67 2wtm n GLY 65 Ca -0.17 -0.20 0.08 0.00 0.00 0.00 0.00 46.02 45.73 2wtm n GLY 65 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2wtm n LYS 66 N 14.00 4.27 -2.26 1.61 5.02 -1.26 -4.97 118.16 134.56 2wtm n LYS 66 Ca 0.00 -2.89 -0.28 0.00 -2.02 0.00 0.00 58.31 53.12 2wtm n LYS 66 Cb 0.00 -2.09 0.02 0.00 -0.02 0.00 0.00 35.03 32.95 2wtm n LYS 66 CO 0.00 0.00 0.00 -1.12 -0.52 0.00 0.00 177.40 175.76 2wtm s SER 67 N -0.79 5.83 1.04 4.39 0.01 -0.50 -4.43 113.70 119.25 2wtm s SER 67 Ca 0.51 0.96 -0.12 0.00 1.31 0.00 0.00 55.95 58.61 2wtm s SER 67 Cb 0.36 -2.00 0.21 0.00 0.21 0.00 0.00 66.02 64.80 2wtm s SER 67 CO 0.19 -0.97 1.07 -1.81 0.41 0.00 0.00 173.24 172.12 2wtm s ASP 68 N -4.25 2.06 0.00 2.44 1.01 -0.59 -4.55 116.67 112.79 2wtm s ASP 68 Ca 0.53 1.57 0.00 0.00 0.71 0.00 0.00 52.55 55.37 2wtm s ASP 68 Cb -0.11 -2.25 0.00 0.00 1.01 0.00 0.00 42.92 41.57 2wtm s ASP 68 CO 0.48 -3.54 0.00 0.61 0.21 0.00 0.00 175.17 172.93 2wtm n GLY 69 N 0.01 -0.52 3.84 0.21 0.00 -1.26 -1.68 105.19 105.79 2wtm n GLY 69 Ca 0.06 -1.52 -0.36 0.00 0.00 0.00 0.00 46.02 44.19 2wtm n GLY 69 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2wtm s LYS 70 N -3.85 3.97 0.24 1.61 1.02 -1.26 -3.61 119.74 117.87 2wtm s LYS 70 Ca 0.00 0.47 -0.06 0.00 0.02 0.00 0.00 55.97 56.39 2wtm s LYS 70 Cb 0.00 -3.03 0.44 0.00 -0.52 0.00 0.00 37.83 34.73 2wtm s LYS 70 CO 0.00 0.54 1.65 0.35 -0.92 0.00 0.00 175.35 176.98 2wtm h PHE 71 N 3.88 0.06 0.00 3.18 3.57 -1.87 -1.36 116.94 124.40 2wtm h PHE 71 Ca -0.49 0.05 -0.00 0.00 3.53 0.00 0.00 57.97 61.05 2wtm h PHE 71 Cb 1.20 0.09 -0.00 0.00 2.79 0.00 0.00 35.95 40.03 2wtm h PHE 71 CO 0.67 -0.19 -0.02 1.05 -2.23 0.00 0.00 178.31 177.58 2wtm h GLU 72 N 0.15 0.00 -0.20 1.11 4.11 -1.88 -1.57 114.58 116.31 2wtm h GLU 72 Ca 0.41 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.84 2wtm h GLU 72 Cb 0.72 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.97 2wtm h GLU 72 CO -0.61 0.02 0.00 -0.25 0.07 0.00 0.00 179.01 178.25 2wtm n ASP 73 N -3.79 2.31 -4.82 3.06 8.00 -0.52 -1.10 116.55 119.70 2wtm n ASP 73 Ca -0.03 -1.80 -0.33 0.00 0.71 0.00 0.00 54.79 53.34 2wtm n ASP 73 Cb 0.11 -0.12 -0.07 0.00 -0.02 0.00 0.00 41.12 41.02 2wtm n ASP 73 CO 0.00 0.00 0.00 -1.38 -0.39 0.00 0.00 177.20 175.43 2wtm s HIS 74 N -1.76 3.32 0.24 1.24 -3.43 -0.59 -4.99 115.29 109.32 2wtm s HIS 74 Ca 0.34 1.56 -0.01 0.00 -0.80 0.00 0.00 55.06 56.15 2wtm s HIS 74 Cb 0.20 -2.81 -0.03 0.00 -1.43 0.00 0.00 32.58 28.51 2wtm s HIS 74 CO 0.29 -0.08 0.21 0.95 -2.00 0.00 0.00 174.74 174.11 2wtm s THR 75 N -2.15 0.00 0.28 -5.38 -4.23 -1.26 -4.49 115.64 98.40 2wtm s THR 75 Ca 0.61 -1.92 0.20 0.00 -1.18 0.00 0.00 61.69 59.40 2wtm s THR 75 Cb -0.09 -2.48 0.17 0.00 1.34 0.00 0.00 72.50 71.44 2wtm s THR 75 CO 0.14 0.00 1.85 -0.07 -0.54 0.00 0.00 174.62 176.00 2wtm h LEU 76 N 2.46 0.00 -0.30 4.79 3.38 -1.94 -1.51 115.31 122.19 2wtm h LEU 76 Ca -0.32 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 57.60 2wtm h LEU 76 Cb 1.25 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.99 2wtm h LEU 76 CO 0.47 0.30 -0.00 -0.26 0.09 0.00 0.00 178.44 179.03 2wtm h PHE 77 N 0.00 0.58 -0.16 1.13 -1.00 -1.96 -0.04 116.94 115.49 2wtm h PHE 77 Ca -0.00 -0.10 -0.01 0.00 2.81 0.00 0.00 57.97 60.67 2wtm h PHE 77 Cb 0.68 -0.15 -0.01 0.00 3.61 0.00 0.00 35.95 40.09 2wtm h PHE 77 CO 0.00 0.67 0.07 0.87 -1.61 0.00 0.00 178.31 178.31 2wtm h LYS 78 N 0.32 0.23 -0.88 1.51 1.57 -1.83 -1.04 116.57 116.45 2wtm h LYS 78 Ca 0.08 -0.04 0.08 0.00 -1.87 0.00 0.00 60.65 58.90 2wtm h LYS 78 Cb 0.44 -0.04 -0.07 0.00 0.08 0.00 0.00 32.23 32.64 2wtm h LYS 78 CO 0.02 0.28 0.54 -1.49 -0.57 0.00 0.00 179.45 178.23 2wtm h TRP 79 N 0.12 0.98 -0.45 -1.35 4.06 -1.20 -0.08 115.95 118.04 2wtm h TRP 79 Ca 0.05 0.03 -0.08 0.00 2.06 0.00 0.00 58.89 60.95 2wtm h TRP 79 Cb 0.13 -0.31 -0.02 0.00 -1.00 0.00 0.00 29.16 27.96 2wtm h TRP 79 CO -0.02 0.46 -0.03 -0.07 -3.56 0.00 0.00 178.44 175.22 2wtm h LEU 80 N 0.94 0.80 -0.51 -4.49 3.38 -0.77 0.80 115.31 115.48 2wtm h LEU 80 Ca 0.40 -0.32 0.10 0.00 0.09 0.00 0.00 57.88 58.14 2wtm h LEU 80 Cb 0.25 -0.22 -0.09 0.00 0.09 0.00 0.00 40.66 40.70 2wtm h LEU 80 CO -0.20 0.93 -0.04 0.74 0.09 0.00 0.00 178.44 179.96 2wtm h THR 81 N 0.65 0.56 -0.10 0.22 2.02 -0.86 -1.29 112.91 114.11 2wtm h THR 81 Ca 0.12 -0.03 0.00 0.00 0.77 0.00 0.00 66.41 67.28 2wtm h THR 81 Cb 0.54 0.48 -0.01 0.00 -1.74 0.00 0.00 68.15 67.43 2wtm h THR 81 CO 0.03 0.01 0.07 0.78 0.37 0.00 0.00 175.52 176.78 2wtm h ASN 82 N 0.07 0.12 -0.62 4.18 -0.26 -0.57 -2.27 115.58 116.24 2wtm h ASN 82 Ca 0.25 -0.02 -0.07 0.00 -0.56 0.00 0.00 56.30 55.90 2wtm h ASN 82 Cb 0.39 -0.03 -0.03 0.00 -1.06 0.00 0.00 38.32 37.59 2wtm h ASN 82 CO -0.46 0.11 0.11 0.40 -1.06 0.00 0.00 177.43 176.53 2wtm h ILE 83 N 0.12 1.26 -0.94 2.81 2.04 -0.47 -1.09 117.51 121.24 2wtm h ILE 83 Ca 0.04 -1.00 0.08 0.00 1.00 0.00 0.00 64.86 64.97 2wtm h ILE 83 Cb 0.01 0.65 -0.07 0.00 -0.74 0.00 0.00 36.82 36.67 2wtm h ILE 83 CO -0.01 0.38 0.61 -0.07 0.00 0.00 0.00 178.15 179.05 2wtm h LEU 84 N 0.98 0.91 -0.73 1.44 3.38 -1.12 0.20 115.31 120.38 2wtm h LEU 84 Ca 0.20 0.02 -0.05 0.00 0.09 0.00 0.00 57.88 58.13 2wtm h LEU 84 Cb 0.42 -0.18 -0.03 0.00 0.09 0.00 0.00 40.66 40.96 2wtm h LEU 84 CO 0.01 0.56 0.25 0.00 0.09 0.00 0.00 178.44 179.35 2wtm h ALA 85 N 1.51 0.95 -0.33 1.53 0.00 -0.74 -0.56 119.26 121.63 2wtm h ALA 85 Ca 0.42 -0.21 -0.10 0.00 0.00 0.00 0.00 54.91 55.02 2wtm h ALA 85 Cb 0.28 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 2wtm h ALA 85 CO -0.17 0.61 -0.17 0.28 0.00 0.00 0.00 179.25 179.80 2wtm h VAL 86 N 1.07 1.29 -0.74 0.00 2.07 -0.23 -0.59 116.25 119.12 2wtm h VAL 86 Ca 0.24 -1.28 -0.01 0.00 0.82 0.00 0.00 66.70 66.47 2wtm h VAL 86 Cb 0.27 1.42 -0.04 0.00 -1.52 0.00 0.00 31.29 31.43 2wtm h VAL 86 CO -0.01 0.42 0.43 0.58 0.02 0.00 0.00 177.57 179.00 2wtm h VAL 87 N 0.46 1.22 -0.50 2.57 2.07 -0.44 -0.41 116.25 121.21 2wtm h VAL 87 Ca 0.07 -0.51 -0.05 0.00 0.82 0.00 0.00 66.70 67.03 2wtm h VAL 87 Cb 0.70 0.21 -0.02 0.00 -1.52 0.00 0.00 31.29 30.66 2wtm h VAL 87 CO 0.05 0.23 0.10 0.44 0.02 0.00 0.00 177.57 178.41 2wtm h ASP 88 N 1.01 0.73 -0.23 0.57 3.32 -0.91 -0.81 116.42 120.11 2wtm h ASP 88 Ca 0.26 -0.13 -0.04 0.00 0.02 0.00 0.00 57.03 57.14 2wtm h ASP 88 Cb -0.00 -0.19 -0.01 0.00 0.22 0.00 0.00 39.33 39.35 2wtm h ASP 88 CO -0.05 0.73 -0.00 0.22 -1.72 0.00 0.00 179.24 178.42 2wtm h TYR 89 N 0.75 0.44 -0.16 4.55 3.20 -0.75 -3.17 116.97 121.83 2wtm h TYR 89 Ca 0.16 -0.08 -0.06 0.00 3.14 0.00 0.00 58.73 61.89 2wtm h TYR 89 Cb 0.31 -0.12 -0.01 0.00 1.54 0.00 0.00 36.73 38.46 2wtm h TYR 89 CO 0.02 0.59 -0.17 0.00 -1.64 0.00 0.00 178.16 176.95 2wtm h ALA 90 N 0.80 1.42 0.00 1.82 0.00 -0.38 -2.32 119.26 120.60 2wtm h ALA 90 Ca 0.06 -0.24 0.00 0.00 0.00 0.00 0.00 54.91 54.73 2wtm h ALA 90 Cb 0.41 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.11 2wtm h ALA 90 CO 0.01 0.40 0.00 0.87 0.00 0.00 0.00 179.25 180.54 2wtm h LYS 91 N 0.25 0.00 -0.02 0.00 1.57 -1.14 -2.08 116.57 115.14 2wtm h LYS 91 Ca 0.05 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.83 2wtm h LYS 91 Cb 0.45 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.76 2wtm h LYS 91 CO 0.03 0.00 -0.18 1.63 -0.57 0.00 0.00 179.45 180.36 2wtm n LYS 92 N -3.05 1.83 -2.48 3.15 5.02 -0.87 -4.90 118.16 116.85 2wtm n LYS 92 Ca -0.01 -1.47 -0.43 0.00 -2.02 0.00 0.00 58.31 54.38 2wtm n LYS 92 Cb 0.20 -1.47 -0.02 0.00 -0.02 0.00 0.00 35.03 33.72 2wtm n LYS 92 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 2wtm s LEU 93 N -2.19 4.24 0.35 -0.35 1.43 -0.78 -4.92 118.68 116.46 2wtm s LEU 93 Ca 0.25 1.74 0.09 0.00 -1.03 0.00 0.00 54.13 55.18 2wtm s LEU 93 Cb 0.19 -3.55 0.65 0.00 0.03 0.00 0.00 46.19 43.51 2wtm s LEU 93 CO 0.41 -0.62 1.82 0.44 0.23 0.00 0.00 176.35 178.62 2wtm h ASP 94 N 7.62 0.18 0.95 2.29 3.45 -1.90 -2.85 116.42 126.16 2wtm h ASP 94 Ca -0.31 -0.06 -0.02 0.00 0.43 0.00 0.00 57.03 57.07 2wtm h ASP 94 Cb 1.14 -0.05 -0.00 0.00 -0.56 0.00 0.00 39.33 39.86 2wtm h ASP 94 CO 0.91 0.47 -0.10 2.19 -1.57 0.00 0.00 179.24 181.14 2wtm h PHE 95 N 0.17 0.00 -3.36 4.55 -5.15 -1.92 -3.46 116.94 107.77 2wtm h PHE 95 Ca 0.02 0.00 -0.53 0.00 -0.20 0.00 0.00 57.97 57.27 2wtm h PHE 95 Cb 0.59 0.00 0.01 0.00 0.22 0.00 0.00 35.95 36.77 2wtm h PHE 95 CO 0.01 0.10 0.55 0.08 -2.00 0.00 0.00 178.31 177.05 2wtm s VAL 96 N -3.69 3.80 0.00 0.88 1.01 -1.08 -1.43 120.40 119.88 2wtm s VAL 96 Ca 0.01 1.41 0.00 0.00 0.00 0.00 0.00 61.98 63.40 2wtm s VAL 96 Cb 0.10 -3.90 0.00 0.00 0.00 0.00 0.00 36.38 32.57 2wtm s VAL 96 CO 0.58 0.18 0.00 0.35 0.00 0.00 0.00 175.10 176.21 2wtm n THR 97 N 3.10 0.00 -3.76 3.92 -2.24 -0.69 -4.88 114.28 109.73 2wtm n THR 97 Ca 0.06 0.00 -0.32 0.00 -2.27 0.00 0.00 64.05 61.52 2wtm n THR 97 Cb 0.46 -0.39 -0.05 0.00 -2.10 0.00 0.00 70.33 68.24 2wtm n THR 97 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 2wtm s ASP 98 N -1.00 6.46 -0.12 3.42 1.01 -1.26 -4.95 116.67 120.22 2wtm s ASP 98 Ca 0.00 0.50 -0.02 0.00 0.71 0.00 0.00 52.55 53.74 2wtm s ASP 98 Cb 0.00 -2.06 -0.03 0.00 1.01 0.00 0.00 42.92 41.85 2wtm s ASP 98 CO 0.00 0.14 -0.06 -0.63 0.21 0.00 0.00 175.17 174.83 2wtm s ILE 99 N -1.52 3.74 0.32 0.77 1.01 -1.26 -0.96 121.20 123.31 2wtm s ILE 99 Ca 0.36 -0.43 0.10 0.00 0.00 0.00 0.00 60.65 60.67 2wtm s ILE 99 Cb -0.13 -2.59 -0.06 0.00 0.01 0.00 0.00 42.46 39.69 2wtm s ILE 99 CO 0.23 0.53 -0.08 -0.31 0.00 0.00 0.00 174.94 175.32 2wtm s TYR 100 N -0.05 2.44 0.07 3.97 2.02 0.66 -1.04 117.35 125.42 2wtm s TYR 100 Ca 0.01 -0.43 0.05 0.00 -0.37 0.00 0.00 57.07 56.33 2wtm s TYR 100 Cb -0.13 -1.32 -0.03 0.00 -0.40 0.00 0.00 41.96 40.08 2wtm s TYR 100 CO 0.03 0.58 -0.13 -1.64 -1.57 0.00 0.00 175.55 172.82 2wtm s MET 101 N -3.63 0.78 0.03 -0.62 -1.94 -1.06 -1.27 119.30 111.60 2wtm s MET 101 Ca 0.33 -0.92 -0.03 0.00 -1.71 0.00 0.00 55.69 53.36 2wtm s MET 101 Cb -0.01 -0.76 -0.02 0.00 2.01 0.00 0.00 34.83 36.06 2wtm s MET 101 CO 0.17 0.17 0.05 0.00 -0.01 0.00 0.00 175.02 175.40 2wtm s ALA 102 N -1.26 0.04 -0.07 3.03 0.00 0.11 -1.01 121.76 122.60 2wtm s ALA 102 Ca -0.03 -0.61 -0.29 0.00 0.00 0.00 0.00 51.96 51.03 2wtm s ALA 102 Cb -0.10 0.21 0.10 0.00 0.00 0.00 0.00 23.12 23.33 2wtm s ALA 102 CO 0.02 -0.27 0.86 0.20 0.00 0.00 0.00 175.76 176.57 2wtm s GLY 103 N -1.96 -0.42 -0.14 0.00 0.00 -0.94 -1.39 107.32 102.46 2wtm s GLY 103 Ca -0.08 1.46 -0.04 0.00 0.00 0.00 0.00 44.72 46.06 2wtm s GLY 103 CO -0.04 0.75 -0.02 -1.58 0.00 0.00 0.00 173.10 172.22 2wtm s HIS 104 N -1.91 3.08 0.00 1.90 2.46 -0.52 -0.09 115.29 120.21 2wtm s HIS 104 Ca -0.02 -0.14 0.00 0.00 0.47 0.00 0.00 55.06 55.37 2wtm s HIS 104 Cb -0.01 -1.94 0.00 0.00 -0.13 0.00 0.00 32.58 30.51 2wtm s HIS 104 CO -0.01 0.09 0.00 0.45 -2.47 0.00 0.00 174.74 172.81 2wtm n SER 105 N 3.25 0.00 -0.08 9.88 2.88 -0.06 -0.54 113.62 128.95 2wtm n SER 105 Ca -0.17 0.00 0.11 0.00 -1.33 0.00 0.00 58.87 57.47 2wtm n SER 105 Cb 0.53 0.00 0.48 0.00 -0.75 0.00 0.00 64.21 64.47 2wtm n SER 105 CO 0.00 0.00 0.00 -0.61 -1.23 0.00 0.00 175.04 173.20 2wtm h GLN 106 N 0.00 0.44 -0.17 -1.46 4.15 -1.85 -0.27 115.11 115.94 2wtm h GLN 106 Ca 0.00 -0.03 -0.09 0.00 0.77 0.00 0.00 58.65 59.30 2wtm h GLN 106 Cb 0.00 -0.10 -0.01 0.00 0.21 0.00 0.00 27.48 27.58 2wtm h GLN 106 CO 0.00 0.29 -0.30 0.78 -1.93 0.00 0.00 178.83 177.67 2wtm h GLY 107 N 0.45 0.35 1.16 2.39 0.00 -0.58 -0.80 103.07 106.05 2wtm h GLY 107 Ca 0.27 -0.29 -0.17 0.00 0.00 0.00 0.00 47.33 47.14 2wtm h GLY 107 CO -0.08 0.27 -0.43 -1.33 0.00 0.00 0.00 176.54 174.97 2wtm h GLY 108 N 1.06 0.99 0.83 4.60 0.00 -0.96 -1.34 103.07 108.25 2wtm h GLY 108 Ca 0.04 -1.04 0.02 0.00 0.00 0.00 0.00 47.33 46.34 2wtm h GLY 108 CO 0.05 0.94 0.04 -2.00 0.00 0.00 0.00 176.54 175.58 2wtm h LEU 109 N 0.73 0.03 -0.70 3.11 5.85 -1.19 -1.23 115.31 121.91 2wtm h LEU 109 Ca 0.05 0.02 0.01 0.00 0.84 0.00 0.00 57.88 58.81 2wtm h LEU 109 Cb 1.03 0.03 -0.04 0.00 0.37 0.00 0.00 40.66 42.04 2wtm h LEU 109 CO 0.10 0.04 0.46 0.28 -0.34 0.00 0.00 178.44 178.98 2wtm h SER 110 N 0.12 0.78 0.29 1.25 0.02 -0.97 -1.29 113.55 113.75 2wtm h SER 110 Ca 0.08 -0.01 -0.12 0.00 -0.84 0.00 0.00 61.79 60.90 2wtm h SER 110 Cb 0.06 -0.19 -0.01 0.00 0.14 0.00 0.00 62.40 62.40 2wtm h SER 110 CO -0.09 0.55 -0.47 -0.37 -1.14 0.00 0.00 176.83 175.31 2wtm h VAL 111 N 0.92 1.33 -0.76 2.27 -1.51 -1.13 0.10 116.25 117.48 2wtm h VAL 111 Ca 0.26 -1.66 0.06 0.00 -1.23 0.00 0.00 66.70 64.13 2wtm h VAL 111 Cb -0.07 1.79 -0.06 0.00 -2.13 0.00 0.00 31.29 30.83 2wtm h VAL 111 CO -0.07 0.49 0.46 0.24 -1.23 0.00 0.00 177.57 177.45 2wtm h MET 112 N 0.18 0.82 -0.03 5.19 2.07 -0.46 0.14 114.93 122.83 2wtm h MET 112 Ca 0.01 -0.05 -0.02 0.00 -2.07 0.00 0.00 59.70 57.57 2wtm h MET 112 Cb 0.90 -0.18 0.00 0.00 -1.87 0.00 0.00 31.60 30.44 2wtm h MET 112 CO 0.07 0.54 -0.06 -0.07 1.07 0.00 0.00 176.91 178.47 2wtm h LEU 113 N 0.84 0.10 -0.91 1.22 3.38 -1.02 -3.08 115.31 115.85 2wtm h LEU 113 Ca 0.33 -0.56 -0.10 0.00 0.09 0.00 0.00 57.88 57.64 2wtm h LEU 113 Cb 0.15 -0.03 -0.01 0.00 0.09 0.00 0.00 40.66 40.86 2wtm h LEU 113 CO -0.16 0.64 -0.26 0.00 0.09 0.00 0.00 178.44 178.75 2wtm h ALA 114 N 0.47 1.08 -0.74 1.53 0.00 -0.64 -2.14 119.26 118.81 2wtm h ALA 114 Ca 0.00 -0.35 -0.04 0.00 0.00 0.00 0.00 54.91 54.52 2wtm h ALA 114 Cb 0.62 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 18.26 2wtm h ALA 114 CO 0.01 0.57 0.30 0.00 0.00 0.00 0.00 179.25 180.13 2wtm h ALA 115 N 1.29 0.96 -0.33 0.00 0.00 -0.81 0.53 119.26 120.90 2wtm h ALA 115 Ca 0.06 -0.19 0.01 0.00 0.00 0.00 0.00 54.91 54.80 2wtm h ALA 115 Cb 0.68 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 18.16 2wtm h ALA 115 CO 0.05 0.58 0.20 0.00 0.00 0.00 0.00 179.25 180.09 2wtm h ALA 116 N 1.15 0.41 0.00 0.00 0.00 -1.39 0.83 119.26 120.26 2wtm h ALA 116 Ca 0.25 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 55.12 2wtm h ALA 116 Cb 0.21 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 17.88 2wtm h ALA 116 CO -0.02 -0.14 -0.09 0.52 0.00 0.00 0.00 179.25 179.52 2wtm h MET 117 N 0.42 0.00 -0.41 0.00 2.86 -0.85 -2.72 114.93 114.23 2wtm h MET 117 Ca 0.12 0.00 -0.25 0.00 -2.06 0.00 0.00 59.70 57.51 2wtm h MET 117 Cb -0.03 0.00 -0.16 0.00 0.06 0.00 0.00 31.60 31.47 2wtm h MET 117 CO -0.04 0.09 -0.23 0.39 1.06 0.00 0.00 176.91 178.18 2wtm n GLU 118 N -3.87 2.16 0.18 1.72 -0.58 0.13 -4.86 120.64 115.51 2wtm n GLU 118 Ca -0.02 -3.40 0.05 0.00 -0.42 0.00 0.00 57.16 53.37 2wtm n GLU 118 Cb 0.18 -1.90 0.52 0.00 -0.57 0.00 0.00 31.44 29.67 2wtm n GLU 118 CO 0.00 0.00 0.00 0.07 -0.48 0.00 0.00 177.13 176.72 2wtm h ARG 119 N 1.28 0.14 0.00 3.49 0.11 -0.53 0.34 114.38 119.21 2wtm h ARG 119 Ca 0.24 -0.02 -0.02 0.00 0.10 0.00 0.00 59.98 60.28 2wtm h ARG 119 Cb 1.47 -0.03 -0.00 0.00 1.11 0.00 0.00 29.97 32.52 2wtm h ARG 119 CO 0.47 0.18 -0.10 0.38 0.10 0.00 0.00 179.97 181.01 2wtm h ASP 120 N 0.14 0.00 0.00 0.08 2.03 -1.87 -3.34 116.42 113.47 2wtm h ASP 120 Ca 0.04 0.00 -0.18 0.00 -0.73 0.00 0.00 57.03 56.15 2wtm h ASP 120 Cb 0.14 0.00 -0.03 0.00 -0.83 0.00 0.00 39.33 38.61 2wtm h ASP 120 CO 0.00 0.10 -1.70 -0.38 -1.03 0.00 0.00 179.24 176.23 2wtm n ILE 121 N -3.34 0.70 -3.32 4.15 2.08 -0.02 -4.96 119.36 114.64 2wtm n ILE 121 Ca -0.01 -0.37 -0.40 0.00 0.56 0.00 0.00 62.75 62.54 2wtm n ILE 121 Cb 0.28 -0.82 -0.08 0.00 -0.75 0.00 0.00 39.64 38.27 2wtm n ILE 121 CO 0.00 0.00 0.00 -0.63 0.56 0.00 0.00 176.55 176.48 2wtm s ILE 122 N -2.24 5.11 0.14 1.39 -1.09 -0.42 -4.23 121.20 119.86 2wtm s ILE 122 Ca -0.10 0.54 0.01 0.00 -2.23 0.00 0.00 60.65 58.87 2wtm s ILE 122 Cb 0.03 -3.80 -0.19 0.00 -1.58 0.00 0.00 42.46 36.92 2wtm s ILE 122 CO 0.36 0.03 1.31 0.50 -1.23 0.00 0.00 174.94 175.91 2wtm h LYS 123 N 8.23 0.20 -3.03 2.79 3.64 -1.42 -3.47 116.57 123.51 2wtm h LYS 123 Ca -0.30 -0.26 0.01 0.00 -1.27 0.00 0.00 60.65 58.83 2wtm h LYS 123 Cb 1.15 0.08 -0.09 0.00 -0.41 0.00 0.00 32.23 32.96 2wtm h LYS 123 CO 0.69 1.03 0.20 0.00 -2.27 0.00 0.00 179.45 179.10 2wtm s ALA 124 N -3.02 -1.40 -0.01 5.00 0.00 -1.26 -4.20 121.76 116.87 2wtm s ALA 124 Ca -0.03 0.14 0.00 0.00 0.00 0.00 0.00 51.96 52.08 2wtm s ALA 124 Cb 0.09 0.87 0.01 0.00 0.00 0.00 0.00 23.12 24.09 2wtm s ALA 124 CO 0.84 -0.87 -0.01 -1.17 0.00 0.00 0.00 175.76 174.56 2wtm s LEU 125 N -2.82 1.69 -0.44 0.00 2.96 -0.30 -2.56 118.68 117.20 2wtm s LEU 125 Ca 0.05 -0.02 0.02 0.00 -0.22 0.00 0.00 54.13 53.97 2wtm s LEU 125 Cb -0.03 -0.11 0.14 0.00 0.50 0.00 0.00 46.19 46.69 2wtm s LEU 125 CO -0.05 -0.03 0.24 -0.63 -1.32 0.00 0.00 176.35 174.56 2wtm s ILE 126 N 0.35 1.34 -0.33 6.68 1.01 -0.18 -1.09 121.20 128.99 2wtm s ILE 126 Ca -0.03 -2.53 -0.24 0.00 0.00 0.00 0.00 60.65 57.85 2wtm s ILE 126 Cb -0.05 -1.94 0.01 0.00 0.01 0.00 0.00 42.46 40.48 2wtm s ILE 126 CO -0.01 -0.90 0.84 -2.84 0.00 0.00 0.00 174.94 172.03 2wtm s PRO 127 N 0.37 3.90 -0.38 2.79 0.02 -1.08 -2.21 135.00 138.42 2wtm s PRO 127 Ca 0.18 0.56 -0.18 0.00 0.02 0.00 0.00 61.00 61.58 2wtm s PRO 127 Cb -0.24 -3.76 0.00 0.00 0.02 0.00 0.00 34.50 30.53 2wtm s PRO 127 CO -0.00 -0.79 0.51 -0.51 -0.33 0.00 0.00 177.00 175.88 2wtm s LEU 128 N 3.15 4.47 -1.33 -5.54 1.43 0.87 -2.44 118.68 119.29 2wtm s LEU 128 Ca 0.34 -0.21 -0.16 0.00 -1.03 0.00 0.00 54.13 53.07 2wtm s LEU 128 Cb -0.13 -2.55 0.01 0.00 0.03 0.00 0.00 46.19 43.55 2wtm s LEU 128 CO 0.15 -0.53 0.47 -1.20 0.23 0.00 0.00 176.35 175.47 2wtm n SER 129 N 5.77 -2.23 -4.76 2.29 7.64 0.13 -0.88 113.62 121.59 2wtm n SER 129 Ca -0.05 -1.18 -0.41 0.00 1.01 0.00 0.00 58.87 58.24 2wtm n SER 129 Cb 0.48 -2.25 -0.02 0.00 -1.01 0.00 0.00 64.21 61.41 2wtm n SER 129 CO 0.00 0.00 0.00 -2.16 -3.01 0.00 0.00 175.04 169.87 2wtm s PRO 130 N -6.98 4.36 -0.35 1.43 0.04 -1.26 -2.88 135.00 129.35 2wtm s PRO 130 Ca 0.26 2.18 -0.06 0.00 0.04 0.00 0.00 61.00 63.42 2wtm s PRO 130 Cb -0.13 -3.11 -0.15 0.00 0.04 0.00 0.00 34.50 31.15 2wtm s PRO 130 CO 0.94 -0.23 3.29 0.00 0.04 0.00 0.00 177.00 181.05 2wtm n ALA 131 N 1.52 6.56 0.30 8.56 0.00 -0.50 -4.66 120.51 132.28 2wtm n ALA 131 Ca 0.03 -2.42 0.19 0.00 0.00 0.00 0.00 53.44 51.24 2wtm n ALA 131 Cb 0.42 -2.42 0.87 0.00 0.00 0.00 0.00 19.45 18.32 2wtm n ALA 131 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2wtm h ALA 132 N 3.30 1.00 -0.02 0.00 0.00 -1.89 -1.92 119.26 119.73 2wtm h ALA 132 Ca 0.34 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.25 2wtm h ALA 132 Cb 1.13 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.92 2wtm h ALA 132 CO 0.62 0.00 0.00 -1.33 0.00 0.00 0.00 179.25 178.54 2wtm n MET 133 N -3.05 1.42 -0.13 0.00 2.81 -1.26 -4.40 117.12 112.51 2wtm n MET 133 Ca -0.01 -0.61 -0.06 0.00 -1.81 0.00 0.00 57.70 55.21 2wtm n MET 133 Cb 0.21 -1.47 0.01 0.00 -0.71 0.00 0.00 33.22 31.26 2wtm n MET 133 CO 0.00 0.00 0.00 0.82 1.51 0.00 0.00 175.97 178.30 2wtm h ILE 134 N 1.46 0.34 -0.41 2.02 2.04 -1.74 -0.92 117.51 120.30 2wtm h ILE 134 Ca 0.00 0.00 -0.00 0.00 1.00 0.00 0.00 64.86 65.86 2wtm h ILE 134 Cb 0.31 0.34 -0.02 0.00 -0.74 0.00 0.00 36.82 36.71 2wtm h ILE 134 CO 0.00 0.00 0.24 -0.65 0.00 0.00 0.00 178.15 177.74 2wtm h PRO 135 N -0.16 0.56 -0.25 2.37 0.11 -1.78 0.18 132.00 133.03 2wtm h PRO 135 Ca 0.20 -0.05 -0.16 0.00 0.11 0.00 0.00 66.00 66.09 2wtm h PRO 135 Cb 0.47 -0.12 -0.00 0.00 0.11 0.00 0.00 31.00 31.46 2wtm h PRO 135 CO -0.52 0.42 -0.51 1.05 -0.21 0.00 0.00 178.00 178.23 2wtm h GLU 136 N 0.54 0.71 -0.05 1.05 4.11 -1.78 -1.42 114.58 117.73 2wtm h GLU 136 Ca 0.15 -0.42 -0.10 0.00 0.07 0.00 0.00 59.36 59.05 2wtm h GLU 136 Cb 0.01 0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.29 2wtm h GLU 136 CO -0.03 1.04 -0.45 0.82 0.07 0.00 0.00 179.01 180.47 2wtm h ILE 137 N 0.55 1.33 -0.27 -1.06 2.04 -1.11 -1.93 117.51 117.06 2wtm h ILE 137 Ca 0.02 -1.58 -0.07 0.00 1.00 0.00 0.00 64.86 64.23 2wtm h ILE 137 Cb 1.07 1.79 -0.02 0.00 -0.74 0.00 0.00 36.82 38.93 2wtm h ILE 137 CO 0.10 0.46 -0.12 0.00 0.00 0.00 0.00 178.15 178.60 2wtm h ALA 138 N 1.44 1.30 0.00 1.87 0.00 -0.17 -1.36 119.26 122.35 2wtm h ALA 138 Ca 0.01 -0.25 -0.04 0.00 0.00 0.00 0.00 54.91 54.62 2wtm h ALA 138 Cb 0.84 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.49 2wtm h ALA 138 CO 0.06 0.47 -0.20 0.00 0.00 0.00 0.00 179.25 179.58 2wtm h ARG 139 N 0.42 0.00 -0.01 0.00 3.08 -0.48 -2.74 114.38 114.64 2wtm h ARG 139 Ca 0.08 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.13 2wtm h ARG 139 Cb 0.46 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.51 2wtm h ARG 139 CO 0.03 0.20 -0.35 0.25 -1.07 0.00 0.00 179.97 179.03 2wtm n THR 140 N -3.87 0.00 0.00 2.04 -2.24 -0.60 -4.83 114.28 104.77 2wtm n THR 140 Ca -0.02 -0.18 0.00 0.00 -2.27 0.00 0.00 64.05 61.59 2wtm n THR 140 Cb 0.29 0.73 0.00 0.00 -2.10 0.00 0.00 70.33 69.25 2wtm n THR 140 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2wtm n GLY 141 N 1.37 1.88 3.02 3.38 0.00 -0.65 -4.80 105.19 109.39 2wtm n GLY 141 Ca 0.11 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 46.04 2wtm n GLY 141 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2wtm s GLU 142 N -0.83 0.42 -0.14 1.61 2.12 -0.82 -0.56 118.70 120.49 2wtm s GLU 142 Ca 0.00 -0.79 -0.04 0.00 0.36 0.00 0.00 54.97 54.50 2wtm s GLU 142 Cb 0.00 0.15 0.07 0.00 0.26 0.00 0.00 34.13 34.60 2wtm s GLU 142 CO 0.00 -0.07 0.17 -1.17 -0.54 0.00 0.00 175.26 173.65 2wtm s LEU 143 N -1.92 -0.02 -1.50 2.70 2.96 0.06 -3.03 118.68 117.92 2wtm s LEU 143 Ca -0.09 -0.02 -0.00 0.00 -0.22 0.00 0.00 54.13 53.80 2wtm s LEU 143 Cb -0.04 0.23 0.00 0.00 0.50 0.00 0.00 46.19 46.88 2wtm s LEU 143 CO -0.04 -0.29 0.13 0.18 -1.32 0.00 0.00 176.35 175.01 2wtm n LEU 144 N 5.32 -1.35 0.00 -0.68 4.77 -1.26 -1.28 117.00 122.52 2wtm n LEU 144 Ca -0.05 -1.20 0.00 0.00 -0.03 0.00 0.00 56.01 54.73 2wtm n LEU 144 Cb 0.50 -1.79 0.00 0.00 -2.33 0.00 0.00 43.42 39.80 2wtm n LEU 144 CO 0.07 0.46 0.00 0.61 -1.33 0.00 0.00 177.39 177.20 2wtm n GLY 145 N -2.40 3.27 3.76 -0.72 0.00 -1.26 -4.99 105.19 102.86 2wtm n GLY 145 Ca -0.32 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.34 2wtm n GLY 145 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2wtm s LEU 146 N 0.00 4.21 0.05 0.99 2.96 -0.40 -5.08 118.68 121.40 2wtm s LEU 146 Ca 0.00 0.28 -0.04 0.00 -0.22 0.00 0.00 54.13 54.16 2wtm s LEU 146 Cb 0.00 -2.07 -0.05 0.00 0.50 0.00 0.00 46.19 44.58 2wtm s LEU 146 CO 0.00 0.25 0.26 -0.54 -1.32 0.00 0.00 176.35 175.00 2wtm s LYS 147 N -0.06 3.52 0.28 1.98 1.02 -1.26 -0.76 119.74 124.46 2wtm s LYS 147 Ca 0.10 -0.22 -0.21 0.00 0.02 0.00 0.00 55.97 55.65 2wtm s LYS 147 Cb -0.11 -3.02 0.03 0.00 -0.52 0.00 0.00 37.83 34.21 2wtm s LYS 147 CO -0.00 0.60 0.77 -0.59 -0.92 0.00 0.00 175.35 175.21 2wtm s PHE 148 N -1.44 -0.13 -0.34 3.18 -0.12 0.27 -4.97 117.98 114.43 2wtm s PHE 148 Ca 0.33 -0.35 -0.27 0.00 -0.05 0.00 0.00 56.93 56.58 2wtm s PHE 148 Cb -0.13 0.72 0.02 0.00 -0.63 0.00 0.00 43.02 43.00 2wtm s PHE 148 CO 0.22 -1.24 1.00 0.34 -0.05 0.00 0.00 175.22 175.49 2wtm s ASP 149 N -2.96 6.81 0.00 1.98 -1.08 -1.26 -4.48 116.67 115.68 2wtm s ASP 149 Ca 0.12 0.83 0.30 0.00 -0.52 0.00 0.00 52.55 53.27 2wtm s ASP 149 Cb -0.05 -2.50 1.64 0.00 -1.46 0.00 0.00 42.92 40.55 2wtm s ASP 149 CO 0.07 -0.87 2.07 -0.81 0.52 0.00 0.00 175.17 176.16 2wtm n PRO 150 N 6.82 0.70 -0.13 4.34 -0.04 -1.26 -3.50 135.00 141.93 2wtm n PRO 150 Ca 0.10 0.01 -0.25 0.00 -0.04 0.00 0.00 63.50 63.32 2wtm n PRO 150 Cb 0.48 -1.50 -0.10 0.00 -0.04 0.00 0.00 33.50 32.33 2wtm n PRO 150 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 2wtm n GLU 151 N -1.13 0.60 -3.41 0.54 -0.58 -1.26 -4.69 120.64 110.70 2wtm n GLU 151 Ca 0.18 0.21 -0.43 0.00 -0.42 0.00 0.00 57.16 56.71 2wtm n GLU 151 Cb 0.16 -1.48 -0.02 0.00 -0.57 0.00 0.00 31.44 29.54 2wtm n GLU 151 CO 0.00 0.00 0.00 -0.80 -0.48 0.00 0.00 177.13 175.85 2wtm s ASN 152 N -7.06 6.98 0.16 1.62 0.01 -1.24 -5.00 114.94 110.40 2wtm s ASN 152 Ca -0.36 -3.58 -0.30 0.00 -0.71 0.00 0.00 52.86 47.90 2wtm s ASN 152 Cb 0.12 -2.14 -0.08 0.00 0.41 0.00 0.00 41.25 39.57 2wtm s ASN 152 CO 0.52 -0.28 1.27 -0.63 -1.51 0.00 0.00 177.10 176.47 2wtm s ILE 153 N -1.22 3.48 0.63 0.60 1.01 -1.23 -4.51 121.20 119.96 2wtm s ILE 153 Ca 0.29 1.17 -0.19 0.00 0.00 0.00 0.00 60.65 61.92 2wtm s ILE 153 Cb -0.09 -3.75 -0.02 0.00 0.01 0.00 0.00 42.46 38.61 2wtm s ILE 153 CO -0.09 0.15 1.29 -2.84 0.00 0.00 0.00 174.94 173.45 2wtm s PRO 154 N 0.26 2.68 0.31 2.79 0.02 -1.26 -4.91 135.00 134.88 2wtm s PRO 154 Ca 0.57 2.05 0.01 0.00 0.02 0.00 0.00 61.00 63.65 2wtm s PRO 154 Cb -0.34 -1.90 0.49 0.00 0.02 0.00 0.00 34.50 32.77 2wtm s PRO 154 CO 0.35 -1.49 1.84 -0.44 -0.33 0.00 0.00 177.00 176.93 2wtm h ASP 155 N 0.70 0.63 -3.71 2.53 3.32 -1.95 -3.26 116.42 114.69 2wtm h ASP 155 Ca -0.51 -0.12 -0.17 0.00 0.02 0.00 0.00 57.03 56.25 2wtm h ASP 155 Cb 1.33 -0.16 -0.26 0.00 0.22 0.00 0.00 39.33 40.45 2wtm h ASP 155 CO 0.54 0.67 -0.43 -0.70 -1.72 0.00 0.00 179.24 177.59 2wtm s GLU 156 N -5.06 0.28 -0.17 3.56 2.12 -1.26 -1.51 118.70 116.66 2wtm s GLU 156 Ca -0.09 0.40 -0.05 0.00 0.36 0.00 0.00 54.97 55.59 2wtm s GLU 156 Cb 0.15 0.08 -0.03 0.00 0.26 0.00 0.00 34.13 34.59 2wtm s GLU 156 CO 0.78 -0.07 -0.00 -0.51 -0.54 0.00 0.00 175.26 174.93 2wtm s LEU 157 N 0.41 3.39 -0.26 2.70 1.43 0.59 -4.92 118.68 122.03 2wtm s LEU 157 Ca -0.02 -0.10 0.03 0.00 -1.03 0.00 0.00 54.13 53.01 2wtm s LEU 157 Cb -0.04 -1.84 0.06 0.00 0.03 0.00 0.00 46.19 44.40 2wtm s LEU 157 CO -0.02 0.14 -0.10 -1.81 0.23 0.00 0.00 176.35 174.79 2wtm s ASP 158 N 0.55 4.41 0.00 2.29 1.11 -1.26 -0.14 116.67 123.63 2wtm s ASP 158 Ca -0.01 -1.41 0.00 0.00 0.18 0.00 0.00 52.55 51.31 2wtm s ASP 158 Cb -0.14 -1.52 0.00 0.00 1.07 0.00 0.00 42.92 42.33 2wtm s ASP 158 CO 0.02 -0.20 0.00 0.00 1.18 0.00 0.00 175.17 176.17 2wtm n ALA 159 N 4.44 0.00 -3.40 5.23 0.00 -0.86 -4.98 120.51 120.95 2wtm n ALA 159 Ca -0.13 0.00 -0.17 0.00 0.00 0.00 0.00 53.44 53.14 2wtm n ALA 159 Cb 0.42 0.00 0.08 0.00 0.00 0.00 0.00 19.45 19.95 2wtm n ALA 159 CO 0.00 0.00 0.00 0.91 0.00 0.00 0.00 177.50 178.41 2wtm n TRP 160 N 0.00 -2.25 -3.48 0.00 8.01 -1.26 -1.21 117.44 117.24 2wtm n TRP 160 Ca 0.00 0.89 -0.20 0.00 -1.31 0.00 0.00 57.50 56.88 2wtm n TRP 160 Cb 0.00 -4.65 0.06 0.00 -2.01 0.00 0.00 31.31 24.71 2wtm n TRP 160 CO 0.00 0.00 0.00 -3.47 -1.01 0.00 0.00 177.69 173.21 2wtm n ASP 161 N -3.14 -4.05 0.00 -0.99 2.03 -1.26 -3.60 116.55 105.53 2wtm n ASP 161 Ca -0.21 -0.77 0.00 0.00 0.52 0.00 0.00 54.79 54.33 2wtm n ASP 161 Cb 0.65 -4.59 0.00 0.00 -0.72 0.00 0.00 41.12 36.46 2wtm n ASP 161 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2wtm n GLY 162 N -1.37 0.59 3.90 0.27 0.00 -1.22 -5.08 105.19 102.28 2wtm n GLY 162 Ca -0.18 -0.79 -0.20 0.00 0.00 0.00 0.00 46.02 44.85 2wtm n GLY 162 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2wtm s ARG 163 N -1.89 2.60 0.02 1.61 0.52 -0.35 -4.96 118.95 116.50 2wtm s ARG 163 Ca 0.00 -1.46 0.04 0.00 -0.52 0.00 0.00 55.73 53.79 2wtm s ARG 163 Cb 0.00 -2.46 -0.02 0.00 0.52 0.00 0.00 34.95 33.00 2wtm s ARG 163 CO 0.00 -0.19 -0.13 0.15 0.02 0.00 0.00 175.30 175.15 2wtm s LYS 164 N -4.16 0.96 -0.07 3.54 1.02 -1.26 -2.02 119.74 117.75 2wtm s LYS 164 Ca 0.49 -0.64 -0.03 0.00 0.02 0.00 0.00 55.97 55.82 2wtm s LYS 164 Cb -0.05 -0.95 0.04 0.00 -0.52 0.00 0.00 37.83 36.35 2wtm s LYS 164 CO 0.29 0.25 0.13 -1.17 -0.92 0.00 0.00 175.35 173.92 2wtm s LEU 165 N -0.81 0.22 0.57 3.17 2.96 0.80 -3.23 118.68 122.35 2wtm s LEU 165 Ca 0.03 0.26 -0.19 0.00 -0.22 0.00 0.00 54.13 54.01 2wtm s LEU 165 Cb -0.07 0.20 -0.05 0.00 0.50 0.00 0.00 46.19 46.78 2wtm s LEU 165 CO 0.01 -0.22 1.17 -0.54 -1.32 0.00 0.00 176.35 175.45 2wtm s LYS 166 N 1.93 3.18 0.64 1.98 -0.14 -0.26 -0.30 119.74 126.77 2wtm s LYS 166 Ca -0.00 1.73 0.42 0.00 -1.36 0.00 0.00 55.97 56.76 2wtm s LYS 166 Cb -0.12 -1.98 2.18 0.00 -1.68 0.00 0.00 37.83 36.23 2wtm s LYS 166 CO -0.05 -1.02 2.28 0.78 -0.76 0.00 0.00 175.35 176.58 2wtm h GLY 167 N 1.08 0.00 0.90 -3.33 0.00 -1.31 -1.56 103.07 98.84 2wtm h GLY 167 Ca -0.50 0.00 0.13 0.00 0.00 0.00 0.00 47.33 46.96 2wtm h GLY 167 CO 0.56 0.00 0.43 3.43 0.00 0.00 0.00 176.54 180.96 2wtm h ASN 168 N 0.00 0.26 -0.71 0.19 2.35 -1.86 0.26 115.58 116.08 2wtm h ASN 168 Ca 0.00 0.01 0.14 0.00 -0.55 0.00 0.00 56.30 55.90 2wtm h ASN 168 Cb 0.12 -0.04 -0.10 0.00 0.05 0.00 0.00 38.32 38.35 2wtm h ASN 168 CO 0.00 0.14 0.24 0.22 -1.65 0.00 0.00 177.43 176.38 2wtm h TYR 169 N 0.28 0.40 -0.02 1.19 3.20 -1.50 -0.55 116.97 119.96 2wtm h TYR 169 Ca 0.30 0.04 -0.24 0.00 3.14 0.00 0.00 58.73 61.97 2wtm h TYR 169 Cb 0.79 -0.07 0.01 0.00 1.54 0.00 0.00 36.73 39.00 2wtm h TYR 169 CO -0.00 0.01 -0.95 0.28 -1.64 0.00 0.00 178.16 175.86 2wtm h VAL 170 N 0.37 1.34 -0.90 1.81 2.07 -1.20 -0.37 116.25 119.37 2wtm h VAL 170 Ca 0.39 -2.30 0.07 0.00 0.82 0.00 0.00 66.70 65.69 2wtm h VAL 170 Cb 0.61 2.33 -0.06 0.00 -1.52 0.00 0.00 31.29 32.65 2wtm h VAL 170 CO -0.42 0.70 0.59 0.03 0.02 0.00 0.00 177.57 178.48 2wtm h ARG 171 N 0.33 0.97 -0.00 1.57 3.08 -0.81 -0.83 114.38 118.69 2wtm h ARG 171 Ca -0.09 -0.06 -0.00 0.00 0.07 0.00 0.00 59.98 59.89 2wtm h ARG 171 Cb 1.59 -0.22 0.00 0.00 0.08 0.00 0.00 29.97 31.42 2wtm h ARG 171 CO 0.18 0.64 -0.02 0.28 -1.07 0.00 0.00 179.97 179.98 2wtm h VAL 172 N 1.00 1.57 -0.88 2.04 2.07 -1.00 -3.35 116.25 117.71 2wtm h VAL 172 Ca 0.40 -1.71 0.07 0.00 0.82 0.00 0.00 66.70 66.27 2wtm h VAL 172 Cb 0.24 2.73 -0.06 0.00 -1.52 0.00 0.00 31.29 32.68 2wtm h VAL 172 CO -0.15 0.45 0.54 0.00 0.02 0.00 0.00 177.57 178.43 2wtm h ALA 173 N 0.28 1.21 -0.06 1.67 0.00 -0.73 -1.64 119.26 119.98 2wtm h ALA 173 Ca -0.00 -0.01 0.02 0.00 0.00 0.00 0.00 54.91 54.92 2wtm h ALA 173 Cb 0.74 -0.23 -0.00 0.00 0.00 0.00 0.00 17.79 18.29 2wtm h ALA 173 CO 0.00 0.28 0.09 1.96 0.00 0.00 0.00 179.25 181.59 2wtm h GLN 174 N 0.98 0.00 0.00 0.00 4.20 -1.29 -2.45 115.11 116.56 2wtm h GLN 174 Ca 0.39 0.00 -0.04 0.00 0.06 0.00 0.00 58.65 59.06 2wtm h GLN 174 Cb 0.19 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 27.96 2wtm h GLN 174 CO -0.18 0.00 -0.18 1.79 -0.67 0.00 0.00 178.83 179.60 2wtm h THR 175 N 0.00 0.41 -3.32 -0.54 1.35 -1.42 -3.46 112.91 105.93 2wtm h THR 175 Ca 0.03 -1.04 -0.57 0.00 -0.55 0.00 0.00 66.41 64.28 2wtm h THR 175 Cb 0.21 1.76 -0.06 0.00 -1.73 0.00 0.00 68.15 68.33 2wtm h THR 175 CO -0.00 0.17 0.36 -0.63 -0.25 0.00 0.00 175.52 175.18 2wtm s ILE 176 N -3.59 4.89 -0.91 6.82 1.01 -0.92 -4.99 121.20 123.52 2wtm s ILE 176 Ca 0.01 1.70 -0.12 0.00 0.00 0.00 0.00 60.65 62.24 2wtm s ILE 176 Cb 0.09 -4.16 0.24 0.00 0.01 0.00 0.00 42.46 38.64 2wtm s ILE 176 CO 0.62 0.07 0.86 -0.13 0.00 0.00 0.00 174.94 176.37 2wtm s ARG 177 N 1.81 3.73 0.28 2.79 1.81 -1.26 -4.72 118.95 123.40 2wtm s ARG 177 Ca 0.41 -2.73 0.02 0.00 -1.72 0.00 0.00 55.73 51.70 2wtm s ARG 177 Cb -0.17 -4.42 0.69 0.00 -0.45 0.00 0.00 34.95 30.59 2wtm s ARG 177 CO 0.15 -1.27 1.68 0.28 -0.68 0.00 0.00 175.30 175.47 2wtm h VAL 178 N 4.43 0.45 -0.87 3.52 2.07 -1.94 -1.91 116.25 122.00 2wtm h VAL 178 Ca 0.13 -0.12 0.14 0.00 0.82 0.00 0.00 66.70 67.67 2wtm h VAL 178 Cb 0.98 0.08 -0.07 0.00 -1.52 0.00 0.00 31.29 30.76 2wtm h VAL 178 CO 0.83 0.06 0.56 -0.33 0.02 0.00 0.00 177.57 178.72 2wtm h GLU 179 N 0.34 0.63 -0.77 1.57 3.07 -1.95 -0.47 114.58 117.01 2wtm h GLU 179 Ca 0.54 -0.04 0.01 0.00 -0.50 0.00 0.00 59.36 59.37 2wtm h GLU 179 Cb 1.02 -0.14 -0.04 0.00 -0.84 0.00 0.00 28.75 28.75 2wtm h GLU 179 CO -0.55 0.42 0.51 -0.44 -1.40 0.00 0.00 179.01 177.54 2wtm h ASP 180 N 0.65 0.88 0.02 1.42 3.32 -1.77 -1.02 116.42 119.91 2wtm h ASP 180 Ca 0.43 -0.02 -0.16 0.00 0.02 0.00 0.00 57.03 57.30 2wtm h ASP 180 Cb 0.74 -0.22 -0.01 0.00 0.22 0.00 0.00 39.33 40.06 2wtm h ASP 180 CO -0.19 0.63 -0.56 -0.26 -1.72 0.00 0.00 179.24 177.15 2wtm h PHE 181 N 1.03 0.71 -0.40 4.55 0.04 -1.19 -2.55 116.94 119.13 2wtm h PHE 181 Ca 0.28 -0.25 -0.04 0.00 2.80 0.00 0.00 57.97 60.76 2wtm h PHE 181 Cb -0.11 -0.13 -0.02 0.00 2.20 0.00 0.00 35.95 37.89 2wtm h PHE 181 CO -0.02 0.99 0.11 0.28 -0.60 0.00 0.00 178.31 179.07 2wtm h VAL 182 N 0.43 1.22 -0.84 -0.55 2.07 -1.05 -2.89 116.25 114.64 2wtm h VAL 182 Ca 0.01 -0.75 0.12 0.00 0.82 0.00 0.00 66.70 66.90 2wtm h VAL 182 Cb 1.10 0.95 -0.06 0.00 -1.52 0.00 0.00 31.29 31.77 2wtm h VAL 182 CO 0.11 0.26 0.55 -0.78 0.02 0.00 0.00 177.57 177.72 2wtm h ASP 183 N 0.50 0.63 1.69 0.57 3.58 -1.09 -2.87 116.42 119.43 2wtm h ASP 183 Ca 0.13 0.03 -0.02 0.00 0.42 0.00 0.00 57.03 57.59 2wtm h ASP 183 Cb 0.29 -0.10 -0.00 0.00 1.72 0.00 0.00 39.33 41.24 2wtm h ASP 183 CO -0.00 0.35 -0.32 0.11 -2.88 0.00 0.00 179.24 176.50 2wtm h LYS 184 N 0.69 0.00 -4.14 0.28 1.79 -1.26 -3.42 116.57 110.51 2wtm h LYS 184 Ca 0.41 0.00 -0.75 0.00 -2.18 0.00 0.00 60.65 58.13 2wtm h LYS 184 Cb 0.62 0.00 -0.27 0.00 -1.58 0.00 0.00 32.23 31.00 2wtm h LYS 184 CO -0.17 0.07 -0.27 -0.47 -1.08 0.00 0.00 179.45 177.53 2wtm s TYR 185 N -3.21 3.36 -2.81 -1.35 5.04 -1.09 -4.90 117.35 112.40 2wtm s TYR 185 Ca 0.05 -1.61 0.23 0.00 -2.44 0.00 0.00 57.07 53.30 2wtm s TYR 185 Cb 0.06 -3.67 0.21 0.00 0.35 0.00 0.00 41.96 38.92 2wtm s TYR 185 CO 0.71 -1.00 1.25 0.25 -1.34 0.00 0.00 175.55 175.41 2wtm n THR 186 N 4.99 0.07 -1.73 4.34 -2.24 -1.26 -4.52 114.28 113.92 2wtm n THR 186 Ca -0.09 -0.53 -0.29 0.00 -2.27 0.00 0.00 64.05 60.87 2wtm n THR 186 Cb 0.41 1.41 0.11 0.00 -2.10 0.00 0.00 70.33 70.16 2wtm n THR 186 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 2wtm s LYS 187 N -1.86 1.54 0.42 -0.78 1.02 -1.26 -4.38 119.74 114.45 2wtm s LYS 187 Ca 0.28 0.18 -0.26 0.00 0.02 0.00 0.00 55.97 56.19 2wtm s LYS 187 Cb 0.20 -1.90 -0.09 0.00 -0.52 0.00 0.00 37.83 35.52 2wtm s LYS 187 CO 0.29 -1.90 1.38 -2.14 -0.92 0.00 0.00 175.35 172.06 2wtm s PRO 188 N -5.45 3.86 0.00 -1.68 0.02 -1.26 -4.52 135.00 125.98 2wtm s PRO 188 Ca 0.63 2.33 0.03 0.00 0.02 0.00 0.00 61.00 64.01 2wtm s PRO 188 Cb -0.13 -2.74 -0.01 0.00 0.02 0.00 0.00 34.50 31.64 2wtm s PRO 188 CO 0.51 -0.64 -0.08 0.08 -0.33 0.00 0.00 177.00 176.54 2wtm s VAL 189 N -1.21 0.63 -0.22 3.83 1.01 -0.10 -1.15 120.40 123.18 2wtm s VAL 189 Ca 0.58 -0.47 0.02 0.00 0.00 0.00 0.00 61.98 62.11 2wtm s VAL 189 Cb -0.42 -0.55 0.04 0.00 0.00 0.00 0.00 36.38 35.45 2wtm s VAL 189 CO 0.54 0.08 -0.13 -0.22 0.00 0.00 0.00 175.10 175.38 2wtm s LEU 190 N -0.43 2.70 -0.16 3.92 2.96 -0.25 -1.08 118.68 126.35 2wtm s LEU 190 Ca 0.01 -1.04 -0.07 0.00 -0.22 0.00 0.00 54.13 52.81 2wtm s LEU 190 Cb -0.04 -1.41 -0.04 0.00 0.50 0.00 0.00 46.19 45.20 2wtm s LEU 190 CO -0.00 -0.13 0.09 -0.63 -1.32 0.00 0.00 176.35 174.36 2wtm s ILE 191 N 1.26 5.08 -0.07 6.68 1.01 -0.21 -2.63 121.20 132.32 2wtm s ILE 191 Ca -0.03 0.06 0.03 0.00 0.00 0.00 0.00 60.65 60.71 2wtm s ILE 191 Cb -0.17 -3.26 -0.02 0.00 0.01 0.00 0.00 42.46 39.02 2wtm s ILE 191 CO -0.08 0.52 -0.16 -0.69 0.00 0.00 0.00 174.94 174.53 2wtm s VAL 192 N -0.20 2.86 -0.19 2.92 1.01 -1.02 -0.36 120.40 125.42 2wtm s VAL 192 Ca 0.09 -0.77 -0.15 0.00 0.00 0.00 0.00 61.98 61.15 2wtm s VAL 192 Cb -0.12 -2.13 0.05 0.00 0.00 0.00 0.00 36.38 34.18 2wtm s VAL 192 CO 0.01 0.57 0.49 -2.28 0.00 0.00 0.00 175.10 173.88 2wtm s HIS 193 N -0.30 -0.60 0.10 5.22 5.04 -0.81 0.17 115.29 124.11 2wtm s HIS 193 Ca 0.02 1.37 -0.30 0.00 -1.54 0.00 0.00 55.06 54.61 2wtm s HIS 193 Cb -0.13 0.24 -0.06 0.00 0.04 0.00 0.00 32.58 32.68 2wtm s HIS 193 CO 0.03 -0.30 1.07 0.20 -2.34 0.00 0.00 174.74 173.40 2wtm s GLY 194 N 0.67 2.77 0.47 1.59 0.00 -1.26 -1.16 107.32 110.40 2wtm s GLY 194 Ca -0.03 0.72 0.21 0.00 0.00 0.00 0.00 44.72 45.61 2wtm s GLY 194 CO -0.05 1.73 2.00 1.29 0.00 0.00 0.00 173.10 178.07 2wtm h ASP 195 N 6.01 0.00 -0.49 1.64 2.03 -1.64 -2.51 116.42 121.47 2wtm h ASP 195 Ca -0.43 0.00 -0.07 0.00 -0.73 0.00 0.00 57.03 55.80 2wtm h ASP 195 Cb 1.21 0.00 -0.04 0.00 -0.83 0.00 0.00 39.33 39.67 2wtm h ASP 195 CO 0.75 0.18 0.10 0.00 -1.03 0.00 0.00 179.24 179.24 2wtm n GLN 196 N -3.93 3.53 -1.68 4.15 1.13 -0.84 -4.71 117.38 115.04 2wtm n GLN 196 Ca -0.02 -2.33 -0.46 0.00 -1.94 0.00 0.00 57.00 52.25 2wtm n GLN 196 Cb 0.27 -2.04 -0.04 0.00 0.11 0.00 0.00 30.24 28.54 2wtm n GLN 196 CO 0.00 0.00 0.00 -3.47 -1.44 0.00 0.00 177.06 172.15 2wtm n ASP 197 N 0.23 3.61 -0.02 1.08 -0.08 -0.95 -4.57 116.55 115.86 2wtm n ASP 197 Ca 0.25 0.97 0.12 0.00 -1.51 0.00 0.00 54.79 54.63 2wtm n ASP 197 Cb 1.04 -1.42 0.26 0.00 2.34 0.00 0.00 41.12 43.34 2wtm n ASP 197 CO 0.00 0.00 0.00 -1.84 0.12 0.00 0.00 177.20 175.48 2wtm n GLU 198 N 6.40 0.06 -0.08 -0.67 0.00 -1.26 -4.40 120.64 120.69 2wtm n GLU 198 Ca 0.21 -0.03 -0.14 0.00 0.00 0.00 0.00 57.16 57.19 2wtm n GLU 198 Cb 0.32 -1.50 -0.07 0.00 0.00 0.00 0.00 31.44 30.20 2wtm n GLU 198 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 2wtm n ALA 199 N -1.44 1.80 -3.43 -1.84 0.00 -1.26 -5.01 120.51 109.33 2wtm n ALA 199 Ca 0.06 -0.66 -0.19 0.00 0.00 0.00 0.00 53.44 52.65 2wtm n ALA 199 Cb 0.34 0.22 -0.16 0.00 0.00 0.00 0.00 19.45 19.84 2wtm n ALA 199 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.50 177.64 2wtm s VAL 200 N -2.31 0.50 0.10 0.00 -7.23 -1.26 -4.91 120.40 105.30 2wtm s VAL 200 Ca -0.22 -0.14 -0.31 0.00 -1.81 0.00 0.00 61.98 59.50 2wtm s VAL 200 Cb 0.07 -0.51 -0.08 0.00 0.56 0.00 0.00 36.38 36.43 2wtm s VAL 200 CO 0.32 0.20 1.38 -2.16 -0.31 0.00 0.00 175.10 174.53 2wtm s PRO 201 N 0.66 4.32 0.23 4.82 0.04 -1.26 -4.73 135.00 139.08 2wtm s PRO 201 Ca -0.08 2.05 -0.08 0.00 0.04 0.00 0.00 61.00 62.92 2wtm s PRO 201 Cb -0.12 -3.29 0.37 0.00 0.04 0.00 0.00 34.50 31.51 2wtm s PRO 201 CO 0.00 -0.44 1.66 -0.92 0.04 0.00 0.00 177.00 177.34 2wtm h TYR 202 N 6.92 0.05 0.00 0.56 3.20 -1.84 -2.53 116.97 123.33 2wtm h TYR 202 Ca -0.42 0.05 -0.01 0.00 3.14 0.00 0.00 58.73 61.49 2wtm h TYR 202 Cb 1.21 0.09 -0.00 0.00 1.54 0.00 0.00 36.73 39.56 2wtm h TYR 202 CO 0.67 -0.16 -0.03 1.49 -1.64 0.00 0.00 178.16 178.49 2wtm h GLU 203 N 0.16 0.00 -0.81 1.82 4.57 -1.95 -1.39 114.58 116.98 2wtm h GLU 203 Ca 0.37 0.00 -0.04 0.00 -1.18 0.00 0.00 59.36 58.51 2wtm h GLU 203 Cb 0.62 0.00 -0.04 0.00 -0.16 0.00 0.00 28.75 29.17 2wtm h GLU 203 CO -0.55 0.03 0.36 0.00 -1.18 0.00 0.00 179.01 177.67 2wtm h ALA 204 N 1.97 1.11 -0.30 2.92 0.00 -1.85 -1.39 119.26 121.71 2wtm h ALA 204 Ca -0.00 -0.18 -0.07 0.00 0.00 0.00 0.00 54.91 54.66 2wtm h ALA 204 Cb 0.07 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 17.53 2wtm h ALA 204 CO 0.00 0.66 -0.11 0.77 0.00 0.00 0.00 179.25 180.57 2wtm h SER 205 N 1.16 0.50 -0.06 0.00 0.02 -1.36 -0.69 113.55 113.12 2wtm h SER 205 Ca 0.27 -0.13 -0.00 0.00 -0.84 0.00 0.00 61.79 61.10 2wtm h SER 205 Cb 0.16 -0.13 -0.00 0.00 0.14 0.00 0.00 62.40 62.57 2wtm h SER 205 CO -0.03 0.65 0.04 0.58 -1.14 0.00 0.00 176.83 176.92 2wtm h VAL 206 N 0.48 1.05 -0.16 2.27 2.07 -1.09 -1.02 116.25 119.85 2wtm h VAL 206 Ca 0.09 -0.15 0.02 0.00 0.82 0.00 0.00 66.70 67.48 2wtm h VAL 206 Cb 0.49 1.05 -0.02 0.00 -1.52 0.00 0.00 31.29 31.28 2wtm h VAL 206 CO 0.03 0.05 0.05 0.00 0.02 0.00 0.00 177.57 177.71 2wtm h ALA 207 N 0.97 0.17 -0.19 1.67 0.00 -1.08 -2.53 119.26 118.27 2wtm h ALA 207 Ca 0.02 0.02 -0.10 0.00 0.00 0.00 0.00 54.91 54.85 2wtm h ALA 207 Cb 0.04 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.83 2wtm h ALA 207 CO -0.00 -0.39 -0.32 0.74 0.00 0.00 0.00 179.25 179.28 2wtm h PHE 208 N 0.12 0.45 -0.15 0.00 0.04 -1.09 -1.42 116.94 114.88 2wtm h PHE 208 Ca 0.07 -0.10 0.01 0.00 2.80 0.00 0.00 57.97 60.75 2wtm h PHE 208 Cb 0.05 -0.11 -0.01 0.00 2.20 0.00 0.00 35.95 38.08 2wtm h PHE 208 CO -0.12 0.67 0.10 0.66 -0.60 0.00 0.00 178.31 179.02 2wtm h SER 209 N 0.34 0.13 0.60 2.17 4.64 -0.89 -1.39 113.55 119.16 2wtm h SER 209 Ca 0.04 -0.00 -0.22 0.00 -0.47 0.00 0.00 61.79 61.14 2wtm h SER 209 Cb 0.73 -0.03 -0.01 0.00 -0.31 0.00 0.00 62.40 62.78 2wtm h SER 209 CO 0.06 0.10 -0.99 0.11 -0.87 0.00 0.00 176.83 175.23 2wtm h LYS 210 N 0.16 0.23 -0.19 4.77 1.57 -0.87 -3.33 116.57 118.90 2wtm h LYS 210 Ca 0.06 -0.29 -0.18 0.00 -1.87 0.00 0.00 60.65 58.37 2wtm h LYS 210 Cb 0.05 0.09 -0.00 0.00 0.08 0.00 0.00 32.23 32.45 2wtm h LYS 210 CO -0.01 1.05 -0.61 0.37 -0.57 0.00 0.00 179.45 179.68 2wtm h GLN 211 N 0.11 0.67 -7.08 3.15 4.15 -0.71 -3.45 115.11 111.95 2wtm h GLN 211 Ca -0.07 -0.46 -0.56 0.00 0.77 0.00 0.00 58.65 58.34 2wtm h GLN 211 Cb 1.66 0.07 0.15 0.00 0.21 0.00 0.00 27.48 29.57 2wtm h GLN 211 CO 0.16 1.08 0.58 0.71 -1.93 0.00 0.00 178.83 179.42 2wtm s TYR 212 N -3.94 2.17 0.12 3.99 4.12 -0.58 -4.84 117.35 118.39 2wtm s TYR 212 Ca -0.08 1.41 -0.16 0.00 0.02 0.00 0.00 57.07 58.26 2wtm s TYR 212 Cb 0.10 -3.78 -0.02 0.00 -1.52 0.00 0.00 41.96 36.75 2wtm s TYR 212 CO 0.87 -2.98 1.64 -0.22 0.02 0.00 0.00 175.55 174.87 2wtm h LYS 213 N 1.04 0.58 -2.12 -0.62 1.63 -1.85 -3.38 116.57 111.85 2wtm h LYS 213 Ca -0.51 -0.13 -0.57 0.00 -0.85 0.00 0.00 60.65 58.59 2wtm h LYS 213 Cb 1.32 -0.08 -0.39 0.00 -0.60 0.00 0.00 32.23 32.47 2wtm h LYS 213 CO 0.55 0.60 -1.02 -1.71 -3.45 0.00 0.00 179.45 174.42 2wtm n ASN 214 N -4.62 0.42 -4.31 4.20 2.85 -1.26 -5.09 115.26 107.45 2wtm n ASN 214 Ca -0.01 -2.70 -0.32 0.00 -0.11 0.00 0.00 54.58 51.44 2wtm n ASN 214 Cb 0.18 -0.63 -0.16 0.00 1.24 0.00 0.00 39.78 40.41 2wtm n ASN 214 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 2wtm s LYS 216 N -0.11 3.86 -0.21 0.00 2.20 -0.24 -4.92 119.74 120.32 2wtm s LYS 216 Ca -0.04 -0.40 -0.11 0.00 -0.36 0.00 0.00 55.97 55.05 2wtm s LYS 216 Cb -0.14 -3.11 -0.05 0.00 -1.51 0.00 0.00 37.83 33.02 2wtm s LYS 216 CO 0.04 0.27 0.18 -1.17 -0.36 0.00 0.00 175.35 174.32 2wtm s LEU 217 N 0.34 4.16 -0.23 5.43 2.96 -1.26 -1.04 118.68 129.04 2wtm s LEU 217 Ca 0.01 0.23 -0.04 0.00 -0.22 0.00 0.00 54.13 54.11 2wtm s LEU 217 Cb -0.13 -2.16 -0.00 0.00 0.50 0.00 0.00 46.19 44.40 2wtm s LEU 217 CO 0.01 0.10 -0.04 -0.69 -1.32 0.00 0.00 176.35 174.41 2wtm s VAL 218 N 0.77 3.34 -0.10 1.68 1.01 0.51 -4.98 120.40 122.64 2wtm s VAL 218 Ca 0.10 -0.56 -0.18 0.00 0.00 0.00 0.00 61.98 61.34 2wtm s VAL 218 Cb -0.13 -2.55 -0.04 0.00 0.00 0.00 0.00 36.38 33.66 2wtm s VAL 218 CO 0.02 0.38 0.48 -0.89 0.00 0.00 0.00 175.10 175.09 2wtm s THR 219 N 1.46 5.15 -0.53 3.92 2.01 -1.26 -1.93 115.64 124.46 2wtm s THR 219 Ca 0.05 0.96 -0.17 0.00 0.31 0.00 0.00 61.69 62.84 2wtm s THR 219 Cb -0.15 -3.81 0.10 0.00 0.01 0.00 0.00 72.50 68.65 2wtm s THR 219 CO -0.03 0.36 0.54 -0.63 -0.69 0.00 0.00 174.62 174.17 2wtm s ILE 220 N 0.38 5.06 0.10 1.82 -1.09 -0.31 -4.95 121.20 122.22 2wtm s ILE 220 Ca 0.26 -1.08 -0.31 0.00 -2.23 0.00 0.00 60.65 57.29 2wtm s ILE 220 Cb -0.15 -4.31 -0.08 0.00 -1.58 0.00 0.00 42.46 36.34 2wtm s ILE 220 CO 0.11 -0.84 1.42 -2.84 -1.23 0.00 0.00 174.94 171.56 2wtm s PRO 221 N 2.06 4.30 0.00 2.79 0.02 -1.26 -2.31 135.00 140.60 2wtm s PRO 221 Ca 0.07 2.10 0.00 0.00 0.02 0.00 0.00 61.00 63.19 2wtm s PRO 221 Cb -0.25 -3.30 0.00 0.00 0.02 0.00 0.00 34.50 30.97 2wtm s PRO 221 CO 0.06 -0.48 0.00 0.41 -0.33 0.00 0.00 177.00 176.66 2wtm n GLY 222 N 3.56 1.19 3.98 0.52 0.00 -1.26 -4.93 105.19 108.25 2wtm n GLY 222 Ca 0.12 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.94 2wtm n GLY 222 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2wtm s ASP 223 N -3.11 5.66 0.52 1.61 -1.08 -0.98 -4.58 116.67 114.72 2wtm s ASP 223 Ca 0.00 -0.11 0.08 0.00 -0.52 0.00 0.00 52.55 52.00 2wtm s ASP 223 Cb 0.00 -1.03 0.08 0.00 -1.46 0.00 0.00 42.92 40.52 2wtm s ASP 223 CO 0.00 -0.77 0.70 0.35 0.52 0.00 0.00 175.17 175.96 2wtm n THR 224 N -1.98 0.00 -0.30 1.71 -2.24 -1.26 -1.99 114.28 108.22 2wtm n THR 224 Ca 0.05 -1.75 -0.02 0.00 -2.27 0.00 0.00 64.05 60.06 2wtm n THR 224 Cb 0.59 -0.54 0.10 0.00 -2.10 0.00 0.00 70.33 68.37 2wtm n THR 224 CO 0.00 0.00 0.00 -0.74 -0.57 0.00 0.00 175.07 173.76 2wtm h HIS 225 N 0.12 0.99 -0.59 4.78 -0.00 -1.91 -2.65 115.15 115.88 2wtm h HIS 225 Ca -0.25 0.03 0.00 0.00 -0.00 0.00 0.00 60.37 60.15 2wtm h HIS 225 Cb 1.12 -0.33 0.00 0.00 -0.00 0.00 0.00 27.41 28.20 2wtm h HIS 225 CO 0.00 0.58 0.00 0.00 -0.00 0.00 0.00 177.93 178.51 2wtm n TYR 227 N 0.88 -1.69 -0.31 0.00 4.01 -1.00 -4.80 117.16 114.25 2wtm n TYR 227 Ca 0.25 0.68 0.08 0.00 -0.16 0.00 0.00 57.90 58.75 2wtm n TYR 227 Cb 0.93 -4.11 0.23 0.00 -0.31 0.00 0.00 39.34 36.08 2wtm n TYR 227 CO 0.00 0.00 0.00 -0.44 -0.46 0.00 0.00 176.86 175.96 2wtm h ASP 228 N -1.50 0.61 0.35 7.72 3.32 -1.93 -3.10 116.42 121.89 2wtm h ASP 228 Ca -0.41 0.09 -0.32 0.00 0.02 0.00 0.00 57.03 56.40 2wtm h ASP 228 Cb 1.25 -0.02 -0.04 0.00 0.22 0.00 0.00 39.33 40.73 2wtm h ASP 228 CO 0.37 0.27 -1.85 1.41 -1.72 0.00 0.00 179.24 177.71 2wtm n HIS 229 N -4.82 0.97 -2.70 4.55 8.25 -1.26 -4.71 115.22 115.50 2wtm n HIS 229 Ca 0.18 0.30 -0.09 0.00 -0.26 0.00 0.00 57.72 57.85 2wtm n HIS 229 Cb 0.43 -1.16 0.06 0.00 1.12 0.00 0.00 29.99 30.44 2wtm n HIS 229 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70 2wtm n HIS 230 N -3.13 -0.22 -0.19 4.41 8.25 -1.24 -4.90 115.22 118.20 2wtm n HIS 230 Ca -0.22 -2.52 0.19 0.00 -0.26 0.00 0.00 57.72 54.91 2wtm n HIS 230 Cb 1.06 0.35 0.55 0.00 1.12 0.00 0.00 29.99 33.07 2wtm n HIS 230 CO 0.00 0.00 0.00 1.25 0.64 0.00 0.00 176.34 178.23 2wtm h LEU 231 N 2.66 0.31 -1.73 2.41 5.85 -1.82 0.31 115.31 123.30 2wtm h LEU 231 Ca -0.15 0.03 -0.04 0.00 0.84 0.00 0.00 57.88 58.56 2wtm h LEU 231 Cb 1.21 -0.03 -0.01 0.00 0.37 0.00 0.00 40.66 42.20 2wtm h LEU 231 CO 0.30 0.14 -0.17 1.05 -0.34 0.00 0.00 178.44 179.41 2wtm h GLU 232 N 0.32 0.00 -0.11 1.25 9.09 -1.91 -0.37 114.58 122.85 2wtm h GLU 232 Ca 0.41 0.00 -0.15 0.00 0.05 0.00 0.00 59.36 59.67 2wtm h GLU 232 Cb 1.12 0.00 -0.01 0.00 -1.65 0.00 0.00 28.75 28.21 2wtm h GLU 232 CO -0.12 0.17 -0.58 -0.07 0.05 0.00 0.00 179.01 178.47 2wtm h LEU 233 N 0.00 0.39 0.13 3.06 3.38 -1.34 -1.85 115.31 119.08 2wtm h LEU 233 Ca -0.00 -0.21 -0.01 0.00 0.09 0.00 0.00 57.88 57.75 2wtm h LEU 233 Cb 0.36 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 41.00 2wtm h LEU 233 CO 0.02 0.88 -0.06 0.58 0.09 0.00 0.00 178.44 179.95 2wtm h VAL 234 N 0.26 1.01 -0.49 1.22 2.07 -1.18 -2.05 116.25 117.09 2wtm h VAL 234 Ca -0.00 -0.60 -0.05 0.00 0.82 0.00 0.00 66.70 66.87 2wtm h VAL 234 Cb 1.09 1.38 -0.02 0.00 -1.52 0.00 0.00 31.29 32.21 2wtm h VAL 234 CO 0.10 0.14 0.11 0.71 0.02 0.00 0.00 177.57 178.65 2wtm h THR 235 N -0.46 1.21 -0.63 2.57 1.35 -1.12 -0.72 112.91 115.10 2wtm h THR 235 Ca -0.02 -0.77 -0.04 0.00 -0.55 0.00 0.00 66.41 65.04 2wtm h THR 235 Cb 0.37 0.72 -0.03 0.00 -1.73 0.00 0.00 68.15 67.47 2wtm h THR 235 CO 0.03 0.28 0.25 -0.08 -0.25 0.00 0.00 175.52 175.75 2wtm h GLU 236 N 0.72 0.93 -0.24 4.72 4.57 -1.36 0.20 114.58 124.13 2wtm h GLU 236 Ca 0.16 -0.15 -0.08 0.00 -1.18 0.00 0.00 59.36 58.11 2wtm h GLU 236 Cb 0.28 -0.16 -0.01 0.00 -0.16 0.00 0.00 28.75 28.70 2wtm h GLU 236 CO -0.00 0.76 -0.17 0.00 -1.18 0.00 0.00 179.01 178.42 2wtm h ALA 237 N 1.36 0.35 -0.51 2.92 0.00 -0.60 -0.91 119.26 121.86 2wtm h ALA 237 Ca 0.21 -0.34 0.04 0.00 0.00 0.00 0.00 54.91 54.82 2wtm h ALA 237 Cb 0.19 -0.08 -0.04 0.00 0.00 0.00 0.00 17.79 17.86 2wtm h ALA 237 CO -0.02 0.26 0.28 0.28 0.00 0.00 0.00 179.25 180.05 2wtm h VAL 238 N 0.26 0.99 -0.07 0.00 2.07 -0.98 -1.94 116.25 116.58 2wtm h VAL 238 Ca 0.05 -0.19 0.01 0.00 0.82 0.00 0.00 66.70 67.39 2wtm h VAL 238 Cb 0.70 0.40 -0.01 0.00 -1.52 0.00 0.00 31.29 30.87 2wtm h VAL 238 CO 0.05 0.10 0.03 0.50 0.02 0.00 0.00 177.57 178.26 2wtm h LYS 239 N 0.54 0.06 -0.62 1.57 3.64 -0.76 -0.43 116.57 120.59 2wtm h LYS 239 Ca 0.22 -0.00 -0.02 0.00 -1.27 0.00 0.00 60.65 59.57 2wtm h LYS 239 Cb 0.09 -0.01 -0.03 0.00 -0.41 0.00 0.00 32.23 31.87 2wtm h LYS 239 CO -0.13 0.04 0.29 0.93 -2.27 0.00 0.00 179.45 178.31 2wtm h GLU 240 N 0.06 0.89 -0.38 1.90 5.08 -1.07 -0.38 114.58 120.68 2wtm h GLU 240 Ca 0.03 -0.13 -0.07 0.00 -1.00 0.00 0.00 59.36 58.19 2wtm h GLU 240 Cb 0.01 -0.16 -0.01 0.00 0.50 0.00 0.00 28.75 29.09 2wtm h GLU 240 CO -0.03 0.72 -0.02 0.35 -1.00 0.00 0.00 179.01 179.03 2wtm h PHE 241 N 0.85 0.76 -0.28 4.33 3.57 -1.19 -2.36 116.94 122.62 2wtm h PHE 241 Ca 0.21 -0.14 -0.13 0.00 3.53 0.00 0.00 57.97 61.44 2wtm h PHE 241 Cb 0.13 -0.20 -0.01 0.00 2.79 0.00 0.00 35.95 38.66 2wtm h PHE 241 CO 0.00 0.79 -0.37 0.52 -2.23 0.00 0.00 178.31 177.02 2wtm h MET 242 N 0.51 0.64 -0.72 1.11 2.86 -0.86 -2.28 114.93 116.19 2wtm h MET 242 Ca 0.11 -0.32 -0.02 0.00 -2.06 0.00 0.00 59.70 57.41 2wtm h MET 242 Cb 0.50 0.00 -0.03 0.00 0.06 0.00 0.00 31.60 32.13 2wtm h MET 242 CO 0.02 0.91 0.37 -0.07 1.06 0.00 0.00 176.91 179.21 2wtm h LEU 243 N 0.53 0.91 -1.00 1.22 3.38 -0.99 -0.34 115.31 119.02 2wtm h LEU 243 Ca 0.05 -0.08 0.02 0.00 0.09 0.00 0.00 57.88 57.95 2wtm h LEU 243 Cb 0.89 -0.23 -0.05 0.00 0.09 0.00 0.00 40.66 41.36 2wtm h LEU 243 CO 0.08 0.75 0.66 -0.08 0.09 0.00 0.00 178.44 179.93 2wtm h GLU 244 N 1.01 1.29 -0.04 1.13 4.81 -0.98 -1.42 114.58 120.38 2wtm h GLU 244 Ca 0.25 -0.08 -0.21 0.00 -0.13 0.00 0.00 59.36 59.19 2wtm h GLU 244 Cb 0.06 -0.29 0.00 0.00 0.63 0.00 0.00 28.75 29.15 2wtm h GLU 244 CO -0.04 0.86 -0.87 1.96 -0.73 0.00 0.00 179.01 180.19 2wtm h GLN 245 N 1.33 0.45 0.00 1.92 1.08 -0.72 -3.32 115.11 115.85 2wtm h GLN 245 Ca 0.37 -0.44 0.00 0.00 -1.45 0.00 0.00 58.65 57.13 2wtm h GLN 245 Cb -0.13 0.11 0.00 0.00 -0.05 0.00 0.00 27.48 27.42 2wtm h GLN 245 CO -0.09 1.09 -0.75 0.44 -0.95 0.00 0.00 178.83 178.56 2wtm n ILE 246 N -3.79 0.16 0.72 2.54 -5.35 -0.25 -5.11 119.36 108.27 2wtm n ILE 246 Ca -0.06 -0.16 0.06 0.00 -0.27 0.00 0.00 62.75 62.31 2wtm n ILE 246 Cb 0.79 0.17 0.34 0.00 -1.74 0.00 0.00 39.64 39.20 2wtm n ILE 246 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79