#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1w9s s LEU 8 N 0.00 3.56 0.04 -2.12 1.43 -1.26 -4.87 118.68 115.46 1w9s s LEU 8 Ca 0.00 1.39 0.02 0.00 -1.03 0.00 0.00 54.13 54.51 1w9s s LEU 8 Cb 0.00 -4.35 -0.04 0.00 0.03 0.00 0.00 46.19 41.83 1w9s s LEU 8 CO 0.00 -0.62 0.05 -0.54 0.23 0.00 0.00 176.35 175.47 1w9s s LYS 9 N -4.36 2.86 -0.41 1.70 1.02 -0.05 -4.99 119.74 115.51 1w9s s LYS 9 Ca 0.55 -0.64 -0.13 0.00 0.02 0.00 0.00 55.97 55.78 1w9s s LYS 9 Cb -0.10 -2.72 0.04 0.00 -0.52 0.00 0.00 37.83 34.53 1w9s s LYS 9 CO 0.38 0.60 0.28 1.21 -0.92 0.00 0.00 175.35 176.90 1w9s s ASN 10 N -1.99 5.91 0.11 2.83 3.84 -1.26 -1.74 114.94 122.64 1w9s s ASN 10 Ca 0.25 -1.11 0.19 0.00 0.21 0.00 0.00 52.86 52.40 1w9s s ASN 10 Cb -0.12 -2.09 0.80 0.00 -0.55 0.00 0.00 41.25 39.29 1w9s s ASN 10 CO 0.16 -0.48 1.59 -0.81 -2.79 0.00 0.00 177.10 174.78 1w9s n PRO 11 N 5.07 0.09 -0.22 0.43 -0.04 -1.26 -2.81 135.00 136.25 1w9s n PRO 11 Ca -0.11 0.31 0.11 0.00 -0.04 0.00 0.00 63.50 63.77 1w9s n PRO 11 Cb 0.45 -1.66 0.26 0.00 -0.04 0.00 0.00 33.50 32.51 1w9s n PRO 11 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 1w9s n TYR 12 N -1.83 0.59 -4.41 0.54 4.01 -1.26 -0.33 117.16 114.47 1w9s n TYR 12 Ca 0.03 -0.29 -0.21 0.00 -0.16 0.00 0.00 57.90 57.27 1w9s n TYR 12 Cb 0.21 0.00 -0.10 0.00 -0.31 0.00 0.00 39.34 39.14 1w9s n TYR 12 CO 0.00 0.00 0.00 -1.21 -0.46 0.00 0.00 176.86 175.19 1w9s s GLU 13 N -1.41 1.50 0.29 -0.72 0.41 -1.12 -4.85 118.70 112.80 1w9s s GLU 13 Ca 0.40 -1.68 -0.30 0.00 -0.41 0.00 0.00 54.97 52.98 1w9s s GLU 13 Cb 0.22 -1.44 -0.12 0.00 -1.78 0.00 0.00 34.13 31.01 1w9s s GLU 13 CO 0.31 0.26 1.45 0.54 -0.49 0.00 0.00 175.26 177.32 1w9s n ARG 14 N -0.50 2.31 -4.02 1.61 1.74 -1.26 -4.73 116.66 111.81 1w9s n ARG 14 Ca -0.06 0.82 -0.35 0.00 -0.77 0.00 0.00 57.85 57.48 1w9s n ARG 14 Cb 0.60 -2.51 -0.13 0.00 -1.02 0.00 0.00 32.46 29.41 1w9s n ARG 14 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 1w9s s ILE 15 N -0.36 3.82 0.10 0.55 1.01 0.07 -4.96 121.20 121.44 1w9s s ILE 15 Ca 0.63 -0.35 -0.30 0.00 0.00 0.00 0.00 60.65 60.62 1w9s s ILE 15 Cb -0.57 -2.74 -0.06 0.00 0.01 0.00 0.00 42.46 39.10 1w9s s ILE 15 CO 0.53 0.42 1.13 -1.10 0.00 0.00 0.00 174.94 175.92 1w9s s GLN 16 N 1.16 4.52 0.43 2.79 -1.52 -1.26 -1.28 119.66 124.49 1w9s s GLN 16 Ca 0.03 1.70 0.18 0.00 -1.95 0.00 0.00 55.36 55.31 1w9s s GLN 16 Cb -0.14 -3.33 0.96 0.00 -0.22 0.00 0.00 33.01 30.27 1w9s s GLN 16 CO 0.01 -0.08 1.91 0.00 -0.25 0.00 0.00 175.29 176.88 1w9s h ALA 17 N 6.05 1.37 0.00 6.09 0.00 -1.37 -1.51 119.26 129.88 1w9s h ALA 17 Ca -0.43 -0.25 0.00 0.00 0.00 0.00 0.00 54.91 54.24 1w9s h ALA 17 Cb 1.21 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.96 1w9s h ALA 17 CO 0.76 0.34 0.00 -0.85 0.00 0.00 0.00 179.25 179.50 1w9s n GLU 18 N -3.95 0.10 -1.08 0.00 0.00 -1.26 -3.69 120.64 110.75 1w9s n GLU 18 Ca -0.02 0.27 -0.19 0.00 0.00 0.00 0.00 57.16 57.22 1w9s n GLU 18 Cb 0.34 -1.66 -0.01 0.00 0.00 0.00 0.00 31.44 30.12 1w9s n GLU 18 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 1w9s n ALA 19 N -1.62 5.58 -1.99 -1.84 0.00 -0.57 -4.95 120.51 115.12 1w9s n ALA 19 Ca 0.04 -2.06 -0.30 0.00 0.00 0.00 0.00 53.44 51.11 1w9s n ALA 19 Cb 0.24 -1.66 -0.01 0.00 0.00 0.00 0.00 19.45 18.03 1w9s n ALA 19 CO 0.00 0.00 0.00 1.52 0.00 0.00 0.00 177.50 179.02 1w9s s TYR 20 N -1.57 3.56 -0.10 0.00 1.13 -1.24 -4.93 117.35 114.19 1w9s s TYR 20 Ca 0.41 1.19 0.21 0.00 -1.41 0.00 0.00 57.07 57.47 1w9s s TYR 20 Cb 0.28 -2.61 -0.27 0.00 -1.10 0.00 0.00 41.96 38.26 1w9s s TYR 20 CO -0.07 -0.45 0.44 -0.25 -2.51 0.00 0.00 175.55 172.71 1w9s n ASP 21 N -2.19 0.13 -3.67 -0.18 8.00 0.56 -4.99 116.55 114.21 1w9s n ASP 21 Ca 0.04 0.06 -0.10 0.00 0.71 0.00 0.00 54.79 55.50 1w9s n ASP 21 Cb 0.54 1.46 -0.04 0.00 -0.02 0.00 0.00 41.12 43.07 1w9s n ASP 21 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1w9s s ALA 22 N -3.18 -0.94 0.26 2.24 0.00 -1.17 -5.01 121.76 113.96 1w9s s ALA 22 Ca -0.08 -0.12 -0.15 0.00 0.00 0.00 0.00 51.96 51.62 1w9s s ALA 22 Cb 0.11 0.78 0.00 0.00 0.00 0.00 0.00 23.12 24.02 1w9s s ALA 22 CO 0.87 -0.72 0.54 0.00 0.00 0.00 0.00 175.76 176.46 1w9s s MET 23 N -3.84 1.63 -0.09 0.00 0.23 -1.26 -0.89 119.30 115.08 1w9s s MET 23 Ca 0.06 -1.21 -0.03 0.00 -1.03 0.00 0.00 55.69 53.48 1w9s s MET 23 Cb 0.01 0.51 0.05 0.00 -1.53 0.00 0.00 34.83 33.86 1w9s s MET 23 CO -0.08 -0.70 0.13 0.45 -2.03 0.00 0.00 175.02 172.80 1w9s s SER 24 N -3.00 1.02 0.00 -1.18 0.15 -0.04 -4.94 113.70 105.72 1w9s s SER 24 Ca 0.20 0.15 0.00 0.00 0.70 0.00 0.00 55.95 57.00 1w9s s SER 24 Cb -0.02 0.14 0.00 0.00 -1.71 0.00 0.00 66.02 64.43 1w9s s SER 24 CO 0.09 -0.26 0.00 0.61 1.20 0.00 0.00 173.24 174.88 1w9s n GLY 25 N 5.31 0.68 3.74 9.45 0.00 -1.26 -1.95 105.19 121.16 1w9s n GLY 25 Ca -0.04 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.73 1w9s n GLY 25 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1w9s s ILE 26 N -2.37 2.24 0.11 -0.61 -5.25 -1.26 -4.69 121.20 109.37 1w9s s ILE 26 Ca 0.00 -1.70 -0.02 0.00 -0.99 0.00 0.00 60.65 57.94 1w9s s ILE 26 Cb 0.00 -2.94 -0.04 0.00 2.95 0.00 0.00 42.46 42.43 1w9s s ILE 26 CO 0.00 0.00 0.05 -1.10 -1.79 0.00 0.00 174.94 172.10 1w9s s GLN 27 N -3.92 0.84 0.26 0.37 -0.21 -0.91 -5.00 119.66 111.10 1w9s s GLN 27 Ca 0.40 -1.33 0.08 0.00 0.02 0.00 0.00 55.36 54.53 1w9s s GLN 27 Cb 0.04 0.25 -0.04 0.00 1.00 0.00 0.00 33.01 34.25 1w9s s GLN 27 CO 0.22 -0.23 0.10 0.95 -2.12 0.00 0.00 175.29 174.21 1w9s s THR 28 N -3.99 3.90 0.12 -0.19 -4.23 -1.26 -0.73 115.64 109.26 1w9s s THR 28 Ca 0.17 -1.66 -0.19 0.00 -1.18 0.00 0.00 61.69 58.84 1w9s s THR 28 Cb 0.07 -3.12 0.05 0.00 1.34 0.00 0.00 72.50 70.84 1w9s s THR 28 CO -0.03 -0.35 0.47 -1.83 -0.54 0.00 0.00 174.62 172.34 1w9s s GLU 29 N -3.77 1.12 0.40 3.99 -1.05 -0.49 -4.95 118.70 113.95 1w9s s GLU 29 Ca 0.32 -0.58 -0.25 0.00 -0.15 0.00 0.00 54.97 54.31 1w9s s GLU 29 Cb -0.07 0.50 -0.08 0.00 -0.44 0.00 0.00 34.13 34.04 1w9s s GLU 29 CO 0.22 -0.45 1.14 0.20 0.95 0.00 0.00 175.26 177.33 1w9s s GLY 30 N -2.68 2.84 0.06 -3.83 0.00 -1.26 -0.89 107.32 101.55 1w9s s GLY 30 Ca 0.01 0.91 0.01 0.00 0.00 0.00 0.00 44.72 45.66 1w9s s GLY 30 CO -0.11 1.40 0.12 -1.08 0.00 0.00 0.00 173.10 173.43 1w9s s THR 31 N -1.47 4.82 -2.47 0.90 -1.32 -0.43 -4.71 115.64 110.96 1w9s s THR 31 Ca 0.58 -0.59 0.26 0.00 -1.21 0.00 0.00 61.69 60.73 1w9s s THR 31 Cb -0.29 -3.31 0.52 0.00 -1.51 0.00 0.00 72.50 67.91 1w9s s THR 31 CO 0.36 0.17 1.68 0.47 -2.21 0.00 0.00 174.62 175.09 1w9s n ASP 32 N 0.55 1.62 -4.69 8.08 8.00 -1.26 -4.51 116.55 124.34 1w9s n ASP 32 Ca -0.08 -1.57 -0.30 0.00 0.71 0.00 0.00 54.79 53.55 1w9s n ASP 32 Cb 0.52 -0.02 0.15 0.00 -0.02 0.00 0.00 41.12 41.75 1w9s n ASP 32 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 1w9s s ASP 33 N -1.91 3.12 0.31 -2.24 2.15 -1.26 -4.86 116.67 111.99 1w9s s ASP 33 Ca 0.36 1.53 -0.29 0.00 0.43 0.00 0.00 52.55 54.58 1w9s s ASP 33 Cb 0.20 -2.20 -0.10 0.00 -0.30 0.00 0.00 42.92 40.53 1w9s s ASP 33 CO 0.32 -2.86 1.35 1.51 -0.17 0.00 0.00 175.17 175.31 1w9s s ASP 34 N -3.27 6.73 0.00 -0.34 3.84 -1.26 -1.90 116.67 120.46 1w9s s ASP 34 Ca 0.64 2.69 0.00 0.00 -0.00 0.00 0.00 52.55 55.88 1w9s s ASP 34 Cb -0.19 -2.64 0.00 0.00 -1.38 0.00 0.00 42.92 38.71 1w9s s ASP 34 CO 0.58 -0.59 0.00 0.61 -0.00 0.00 0.00 175.17 175.77 1w9s n GLY 35 N 1.17 0.82 7.00 2.12 0.00 -1.26 -4.95 105.19 110.08 1w9s n GLY 35 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.04 1w9s n GLY 35 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1w9s n GLY 36 N -2.00 0.72 4.48 -0.02 0.00 -0.80 -5.00 105.19 102.58 1w9s n GLY 36 Ca 0.00 -0.72 0.00 0.00 0.00 0.00 0.00 46.02 45.30 1w9s n GLY 36 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1w9s n GLY 37 N 0.00 -0.58 3.23 -0.02 0.00 -1.26 -4.79 105.19 101.78 1w9s n GLY 37 Ca 0.00 -1.41 -0.15 0.00 0.00 0.00 0.00 46.02 44.46 1w9s n GLY 37 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1w9s s ASP 38 N -4.00 1.74 0.20 1.61 1.01 -1.26 -1.31 116.67 114.66 1w9s s ASP 38 Ca 0.00 -0.95 0.08 0.00 0.71 0.00 0.00 52.55 52.39 1w9s s ASP 38 Cb 0.00 -0.01 -0.05 0.00 1.01 0.00 0.00 42.92 43.87 1w9s s ASP 38 CO 0.00 -0.30 -0.16 0.54 0.21 0.00 0.00 175.17 175.47 1w9s s ASN 39 N -2.94 2.69 0.32 0.27 4.22 -0.07 -4.73 114.94 114.70 1w9s s ASN 39 Ca 0.13 -0.99 -0.10 0.00 -2.14 0.00 0.00 52.86 49.77 1w9s s ASN 39 Cb 0.01 -0.16 -0.07 0.00 1.28 0.00 0.00 41.25 42.31 1w9s s ASN 39 CO 0.01 -0.12 0.66 0.27 -2.04 0.00 0.00 177.10 175.88 1w9s s ILE 40 N -2.73 4.86 0.00 0.54 -4.36 -0.25 -1.40 121.20 117.85 1w9s s ILE 40 Ca 0.22 0.50 0.00 0.00 -0.26 0.00 0.00 60.65 61.11 1w9s s ILE 40 Cb -0.02 -3.69 0.00 0.00 1.25 0.00 0.00 42.46 40.00 1w9s s ILE 40 CO 0.08 -0.32 0.00 0.61 0.24 0.00 0.00 174.94 175.55 1w9s n GLY 41 N -0.80 2.65 3.78 6.27 0.00 0.09 -1.53 105.19 115.64 1w9s n GLY 41 Ca 0.01 -0.92 -0.25 0.00 0.00 0.00 0.00 46.02 44.86 1w9s n GLY 41 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 1w9s n TRP 42 N 0.00 -2.13 -3.38 1.61 8.01 -1.26 -2.14 117.44 118.15 1w9s n TRP 42 Ca 0.00 0.88 -0.38 0.00 -1.31 0.00 0.00 57.50 56.69 1w9s n TRP 42 Cb 0.00 -4.28 -0.06 0.00 -2.01 0.00 0.00 31.31 24.96 1w9s n TRP 42 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.69 177.10 1w9s s ILE 43 N -3.50 5.15 0.15 -0.99 1.01 -1.26 -4.38 121.20 117.38 1w9s s ILE 43 Ca 0.30 0.89 0.03 0.00 0.00 0.00 0.00 60.65 61.87 1w9s s ILE 43 Cb -0.15 -3.77 -0.04 0.00 0.01 0.00 0.00 42.46 38.50 1w9s s ILE 43 CO 0.81 0.40 -0.07 0.20 0.00 0.00 0.00 174.94 176.28 1w9s s ASN 44 N 0.19 1.54 -0.05 3.58 -0.87 -1.26 -0.60 114.94 117.47 1w9s s ASN 44 Ca 0.24 -1.05 -0.35 0.00 -1.57 0.00 0.00 52.86 50.13 1w9s s ASN 44 Cb -0.15 0.04 -0.13 0.00 -0.02 0.00 0.00 41.25 40.98 1w9s s ASN 44 CO 0.10 -0.42 1.73 -0.67 -2.57 0.00 0.00 177.10 175.28 1w9s n ASP 45 N -0.18 2.99 0.00 -1.22 2.03 -1.26 -1.34 116.55 117.56 1w9s n ASP 45 Ca -0.10 1.03 0.00 0.00 0.52 0.00 0.00 54.79 56.25 1w9s n ASP 45 Cb 0.61 -1.32 0.00 0.00 -0.72 0.00 0.00 41.12 39.69 1w9s n ASP 45 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1w9s n GLY 46 N 3.94 0.88 3.81 0.27 0.00 0.13 -4.97 105.19 109.25 1w9s n GLY 46 Ca 0.22 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.94 1w9s n GLY 46 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1w9s s ASP 47 N -2.90 4.46 0.18 1.61 1.01 -0.45 -4.80 116.67 115.78 1w9s s ASP 47 Ca 0.00 1.27 -0.23 0.00 0.71 0.00 0.00 52.55 54.31 1w9s s ASP 47 Cb 0.00 -2.00 0.06 0.00 1.01 0.00 0.00 42.92 41.99 1w9s s ASP 47 CO 0.00 -1.98 0.63 -1.66 0.21 0.00 0.00 175.17 172.37 1w9s s TRP 48 N -3.18 -0.46 0.05 4.23 1.48 -0.82 -0.94 118.94 119.30 1w9s s TRP 48 Ca 0.61 0.20 0.05 0.00 -1.06 0.00 0.00 56.10 55.91 1w9s s TRP 48 Cb -0.14 0.59 -0.02 0.00 -1.16 0.00 0.00 33.47 32.73 1w9s s TRP 48 CO 0.54 -0.93 -0.15 0.14 -4.06 0.00 0.00 176.95 172.49 1w9s s VAL 49 N -3.78 1.22 -0.06 -0.66 -7.23 -0.67 -0.86 120.40 108.37 1w9s s VAL 49 Ca 0.03 -1.14 0.05 0.00 -1.81 0.00 0.00 61.98 59.12 1w9s s VAL 49 Cb -0.02 -1.12 -0.01 0.00 0.56 0.00 0.00 36.38 35.79 1w9s s VAL 49 CO -0.09 -0.03 -0.22 -0.75 -0.31 0.00 0.00 175.10 173.70 1w9s s LYS 50 N -1.34 2.57 -0.24 4.82 2.20 -0.07 -1.22 119.74 126.46 1w9s s LYS 50 Ca 0.02 -0.85 0.02 0.00 -0.36 0.00 0.00 55.97 54.79 1w9s s LYS 50 Cb -0.09 -2.23 0.06 0.00 -1.51 0.00 0.00 37.83 34.06 1w9s s LYS 50 CO 0.02 0.43 -0.09 0.71 -0.36 0.00 0.00 175.35 176.06 1w9s s TYR 51 N -0.26 2.77 0.47 4.03 1.51 0.25 -0.33 117.35 125.79 1w9s s TYR 51 Ca -0.00 -1.97 -0.19 0.00 -1.01 0.00 0.00 57.07 53.89 1w9s s TYR 51 Cb -0.13 -1.74 -0.09 0.00 -0.11 0.00 0.00 41.96 39.89 1w9s s TYR 51 CO 0.03 -0.82 0.98 -1.21 -1.11 0.00 0.00 175.55 173.42 1w9s s GLU 52 N 1.27 4.04 -1.11 -0.62 2.02 -1.26 -0.90 118.70 122.14 1w9s s GLU 52 Ca -0.06 1.11 -0.07 0.00 0.02 0.00 0.00 54.97 55.97 1w9s s GLU 52 Cb -0.19 -2.15 0.01 0.00 0.10 0.00 0.00 34.13 31.90 1w9s s GLU 52 CO -0.06 -0.20 0.97 0.54 0.02 0.00 0.00 175.26 176.53 1w9s n ARG 53 N -1.03 -6.49 -2.84 1.61 1.74 -1.05 -4.51 116.66 104.10 1w9s n ARG 53 Ca 0.07 0.68 -0.42 0.00 -0.77 0.00 0.00 57.85 57.41 1w9s n ARG 53 Cb 0.54 -5.29 -0.04 0.00 -1.02 0.00 0.00 32.46 26.65 1w9s n ARG 53 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 1w9s s VAL 54 N -3.27 4.65 -0.32 1.55 1.01 0.08 -0.87 120.40 123.24 1w9s s VAL 54 Ca 0.44 1.25 -0.10 0.00 0.00 0.00 0.00 61.98 63.58 1w9s s VAL 54 Cb -0.20 -4.28 -0.00 0.00 0.00 0.00 0.00 36.38 31.91 1w9s s VAL 54 CO 0.60 -0.42 0.16 -2.28 0.00 0.00 0.00 175.10 173.16 1w9s s HIS 55 N 3.30 3.19 -0.35 5.22 2.46 -0.71 -0.77 115.29 127.62 1w9s s HIS 55 Ca 0.37 -0.60 -0.15 0.00 0.47 0.00 0.00 55.06 55.15 1w9s s HIS 55 Cb -0.13 -2.37 -0.01 0.00 -0.13 0.00 0.00 32.58 29.94 1w9s s HIS 55 CO 0.16 -0.47 0.34 -0.06 -2.47 0.00 0.00 174.74 172.23 1w9s s PHE 56 N 1.61 3.21 -0.62 3.88 0.40 0.63 -4.26 117.98 122.83 1w9s s PHE 56 Ca 0.04 -0.14 0.25 0.00 -0.60 0.00 0.00 56.93 56.47 1w9s s PHE 56 Cb -0.17 -2.64 0.48 0.00 0.51 0.00 0.00 43.02 41.19 1w9s s PHE 56 CO 0.07 -0.45 1.48 1.05 0.70 0.00 0.00 175.22 178.06 1w9s h GLU 57 N 8.51 0.00 -4.02 0.44 4.11 -1.94 -1.17 114.58 120.50 1w9s h GLU 57 Ca -0.30 0.00 -0.12 0.00 0.07 0.00 0.00 59.36 59.02 1w9s h GLU 57 Cb 1.14 0.00 -0.14 0.00 0.50 0.00 0.00 28.75 30.25 1w9s h GLU 57 CO 0.69 0.00 -0.44 -0.98 0.07 0.00 0.00 179.01 178.35 1w9s s ARG 58 N -3.16 0.97 0.32 1.06 1.70 -1.26 -4.87 118.95 113.70 1w9s s ARG 58 Ca 0.07 -1.18 -0.29 0.00 -0.47 0.00 0.00 55.73 53.86 1w9s s ARG 58 Cb 0.12 0.32 -0.11 0.00 -0.57 0.00 0.00 34.95 34.71 1w9s s ARG 58 CO 0.68 -0.31 1.50 -0.51 -1.08 0.00 0.00 175.30 175.58 1w9s s ASP 59 N -2.95 6.44 0.00 -2.89 1.01 -1.26 -4.49 116.67 112.54 1w9s s ASP 59 Ca 0.14 2.92 -0.04 0.00 0.71 0.00 0.00 52.55 56.28 1w9s s ASP 59 Cb 0.05 -2.65 -0.04 0.00 1.01 0.00 0.00 42.92 41.29 1w9s s ASP 59 CO -0.04 -0.83 0.22 0.00 0.21 0.00 0.00 175.17 174.73 1w9s s ALA 60 N -0.54 3.92 0.00 5.23 0.00 -0.36 -4.51 121.76 125.49 1w9s s ALA 60 Ca 0.57 -0.69 0.00 0.00 0.00 0.00 0.00 51.96 51.84 1w9s s ALA 60 Cb -0.46 -1.95 0.00 0.00 0.00 0.00 0.00 23.12 20.71 1w9s s ALA 60 CO 0.53 0.71 0.00 -1.13 0.00 0.00 0.00 175.76 175.88 1w9s n SER 61 N 0.98 0.56 -3.67 0.00 3.41 0.22 -2.34 113.62 112.78 1w9s n SER 61 Ca -0.11 -0.41 -0.10 0.00 -0.26 0.00 0.00 58.87 58.00 1w9s n SER 61 Cb 0.53 0.93 -0.03 0.00 -0.26 0.00 0.00 64.21 65.37 1w9s n SER 61 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 1w9s s SER 62 N -1.04 -0.36 0.03 4.04 1.04 -1.14 -1.69 113.70 114.58 1w9s s SER 62 Ca 0.00 -0.36 0.06 0.00 0.48 0.00 0.00 55.95 56.13 1w9s s SER 62 Cb 0.00 0.62 -0.02 0.00 0.10 0.00 0.00 66.02 66.72 1w9s s SER 62 CO 0.00 -1.09 -0.18 -0.51 0.98 0.00 0.00 173.24 172.44 1w9s s ILE 63 N -3.85 1.41 -0.09 -1.02 2.07 0.21 -1.18 121.20 118.76 1w9s s ILE 63 Ca 0.07 -1.03 0.04 0.00 -1.41 0.00 0.00 60.65 58.32 1w9s s ILE 63 Cb -0.02 -1.23 -0.00 0.00 0.13 0.00 0.00 42.46 41.33 1w9s s ILE 63 CO -0.04 0.18 -0.23 -1.61 -1.91 0.00 0.00 174.94 171.33 1w9s s GLU 64 N -0.99 2.95 -0.03 3.50 2.02 0.75 -1.46 118.70 125.44 1w9s s GLU 64 Ca 0.05 -0.87 0.02 0.00 0.02 0.00 0.00 54.97 54.20 1w9s s GLU 64 Cb -0.08 -2.29 0.01 0.00 0.10 0.00 0.00 34.13 31.86 1w9s s GLU 64 CO 0.01 0.23 -0.08 0.08 0.02 0.00 0.00 175.26 175.52 1w9s s VAL 65 N 0.21 0.74 -0.29 2.63 1.01 -0.07 -0.91 120.40 123.72 1w9s s VAL 65 Ca -0.14 -0.33 -0.17 0.00 0.00 0.00 0.00 61.98 61.34 1w9s s VAL 65 Cb -0.17 -0.67 -0.02 0.00 0.00 0.00 0.00 36.38 35.52 1w9s s VAL 65 CO 0.07 0.24 0.47 -0.60 0.00 0.00 0.00 175.10 175.28 1w9s s ARG 66 N 0.26 3.90 0.06 2.72 6.06 -0.48 -1.03 118.95 130.45 1w9s s ARG 66 Ca -0.04 0.06 -0.00 0.00 -2.50 0.00 0.00 55.73 53.25 1w9s s ARG 66 Cb -0.09 -3.71 -0.04 0.00 0.06 0.00 0.00 34.95 31.18 1w9s s ARG 66 CO 0.00 -0.42 -0.04 0.14 -2.50 0.00 0.00 175.30 172.48 1w9s s VAL 67 N 2.25 0.35 -0.01 7.11 -7.23 0.08 -1.03 120.40 121.93 1w9s s VAL 67 Ca 0.18 -1.72 -0.07 0.00 -1.81 0.00 0.00 61.98 58.56 1w9s s VAL 67 Cb -0.16 -1.39 0.00 0.00 0.56 0.00 0.00 36.38 35.39 1w9s s VAL 67 CO 0.11 -0.89 0.15 0.00 -0.31 0.00 0.00 175.10 174.16 1w9s s ALA 68 N -3.48 -0.36 -0.23 1.32 0.00 -0.67 -1.22 121.76 117.12 1w9s s ALA 68 Ca 0.05 -0.02 -0.20 0.00 0.00 0.00 0.00 51.96 51.79 1w9s s ALA 68 Cb 0.05 0.05 0.06 0.00 0.00 0.00 0.00 23.12 23.28 1w9s s ALA 68 CO -0.07 -0.19 0.60 0.45 0.00 0.00 0.00 175.76 176.55 1w9s s SER 69 N -1.17 -0.66 0.00 0.00 0.15 -1.11 -0.21 113.70 110.70 1w9s s SER 69 Ca -0.13 1.23 0.22 0.00 0.70 0.00 0.00 55.95 57.98 1w9s s SER 69 Cb -0.07 1.22 0.53 0.00 -1.71 0.00 0.00 66.02 66.00 1w9s s SER 69 CO 0.01 -0.21 1.46 -0.67 1.20 0.00 0.00 173.24 175.03 1w9s n ASP 70 N 3.05 3.33 -2.29 5.45 2.03 -1.25 -1.47 116.55 125.40 1w9s n ASP 70 Ca -0.15 -1.97 -0.05 0.00 0.52 0.00 0.00 54.79 53.14 1w9s n ASP 70 Cb 0.56 -0.33 -0.01 0.00 -0.72 0.00 0.00 41.12 40.62 1w9s n ASP 70 CO 0.00 0.00 0.00 0.35 -1.92 0.00 0.00 177.20 175.63 1w9s n THR 71 N 1.36 0.00 0.19 5.18 -2.24 -1.26 -4.86 114.28 112.65 1w9s n THR 71 Ca 0.20 -0.36 0.06 0.00 -2.27 0.00 0.00 64.05 61.68 1w9s n THR 71 Cb 0.56 0.08 0.28 0.00 -2.10 0.00 0.00 70.33 69.15 1w9s n THR 71 CO 0.00 0.00 0.00 -2.65 -0.57 0.00 0.00 175.07 171.85 1w9s n PRO 72 N -0.18 0.06 0.00 -0.78 -0.02 -1.26 -3.55 135.00 129.28 1w9s n PRO 72 Ca -0.03 0.48 0.00 0.00 -2.02 0.00 0.00 63.50 61.93 1w9s n PRO 72 Cb 0.10 -1.67 0.00 0.00 -0.02 0.00 0.00 33.50 31.90 1w9s n PRO 72 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1w9s n GLY 73 N -0.96 -0.73 0.00 -1.23 0.00 -1.25 -3.55 105.19 97.47 1w9s n GLY 73 Ca 0.01 -1.56 0.00 0.00 0.00 0.00 0.00 46.02 44.46 1w9s n GLY 73 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1w9s n GLY 74 N 0.00 -0.91 3.15 -0.02 0.00 -0.05 -4.69 105.19 102.67 1w9s n GLY 74 Ca 0.00 -0.10 -0.08 0.00 0.00 0.00 0.00 46.02 45.84 1w9s n GLY 74 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1w9s s ARG 75 N -0.48 0.78 -0.15 1.61 1.70 0.11 -0.43 118.95 122.10 1w9s s ARG 75 Ca 0.00 -1.22 0.02 0.00 -0.47 0.00 0.00 55.73 54.06 1w9s s ARG 75 Cb 0.00 0.26 0.01 0.00 -0.57 0.00 0.00 34.95 34.65 1w9s s ARG 75 CO 0.00 -0.21 -0.20 0.42 -1.08 0.00 0.00 175.30 174.24 1w9s s ILE 76 N -3.94 2.25 -0.13 4.99 1.01 0.10 -1.15 121.20 124.33 1w9s s ILE 76 Ca 0.12 -0.91 -0.12 0.00 0.00 0.00 0.00 60.65 59.74 1w9s s ILE 76 Cb 0.07 -1.92 -0.05 0.00 0.01 0.00 0.00 42.46 40.57 1w9s s ILE 76 CO -0.06 0.54 0.26 -1.61 0.00 0.00 0.00 174.94 174.06 1w9s s GLU 77 N 0.85 4.01 -0.31 2.79 2.02 0.37 -0.64 118.70 127.79 1w9s s GLU 77 Ca -0.06 0.06 -0.12 0.00 0.02 0.00 0.00 54.97 54.87 1w9s s GLU 77 Cb -0.15 -3.34 -0.03 0.00 0.10 0.00 0.00 34.13 30.71 1w9s s GLU 77 CO -0.02 0.44 0.20 0.42 0.02 0.00 0.00 175.26 176.33 1w9s s ILE 78 N -0.14 5.21 0.14 -1.63 -1.09 0.27 -1.36 121.20 122.61 1w9s s ILE 78 Ca 0.16 -0.05 0.03 0.00 -2.23 0.00 0.00 60.65 58.57 1w9s s ILE 78 Cb -0.13 -3.58 -0.04 0.00 -1.58 0.00 0.00 42.46 37.13 1w9s s ILE 78 CO 0.05 0.13 -0.07 -0.13 -1.23 0.00 0.00 174.94 173.69 1w9s s ARG 79 N 1.73 1.03 0.17 2.79 0.52 -0.64 -0.36 118.95 124.19 1w9s s ARG 79 Ca 0.06 -1.45 0.06 0.00 -0.52 0.00 0.00 55.73 53.88 1w9s s ARG 79 Cb -0.17 -0.47 -0.04 0.00 0.52 0.00 0.00 34.95 34.79 1w9s s ARG 79 CO 0.10 0.01 -0.12 0.95 0.02 0.00 0.00 175.30 176.26 1w9s s THR 80 N -3.45 1.45 0.00 0.02 -4.23 -1.26 -0.63 115.64 107.54 1w9s s THR 80 Ca 0.17 -2.11 0.00 0.00 -1.18 0.00 0.00 61.69 58.57 1w9s s THR 80 Cb 0.04 -1.92 0.00 0.00 1.34 0.00 0.00 72.50 71.96 1w9s s THR 80 CO 0.00 -0.65 0.00 0.61 -0.54 0.00 0.00 174.62 174.04 1w9s n GLY 81 N -0.24 2.17 3.76 3.99 0.00 -0.28 -4.05 105.19 110.56 1w9s n GLY 81 Ca -0.09 -0.37 -0.08 0.00 0.00 0.00 0.00 46.02 45.47 1w9s n GLY 81 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1w9s s SER 82 N 0.00 -0.24 0.58 1.61 1.04 -1.26 -4.95 113.70 110.48 1w9s s SER 82 Ca 0.00 -0.63 0.39 0.00 0.48 0.00 0.00 55.95 56.19 1w9s s SER 82 Cb 0.00 0.68 2.02 0.00 0.10 0.00 0.00 66.02 68.83 1w9s s SER 82 CO 0.00 -1.27 2.18 -0.65 0.98 0.00 0.00 173.24 174.48 1w9s h PRO 83 N 2.06 0.00 -0.27 4.02 0.11 -1.95 -1.87 132.00 134.10 1w9s h PRO 83 Ca -0.22 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.89 1w9s h PRO 83 Cb 1.25 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.36 1w9s h PRO 83 CO 0.27 0.00 0.00 0.25 -0.21 0.00 0.00 178.00 178.31 1w9s n THR 84 N -2.94 0.33 -0.87 -1.15 -2.24 -1.26 -4.99 114.28 101.16 1w9s n THR 84 Ca -0.02 -0.65 -0.32 0.00 -2.27 0.00 0.00 64.05 60.79 1w9s n THR 84 Cb 0.11 1.12 0.15 0.00 -2.10 0.00 0.00 70.33 69.61 1w9s n THR 84 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1w9s n GLY 85 N 1.45 -0.24 3.59 3.38 0.00 -0.71 -4.85 105.19 107.81 1w9s n GLY 85 Ca 0.18 -0.61 -0.50 0.00 0.00 0.00 0.00 46.02 45.08 1w9s n GLY 85 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1w9s n THR 86 N -3.82 0.40 -1.91 2.61 -1.04 -1.26 -4.51 114.28 104.75 1w9s n THR 86 Ca 0.13 -0.10 -0.42 0.00 -2.04 0.00 0.00 64.05 61.61 1w9s n THR 86 Cb 0.51 -0.85 -0.03 0.00 -1.82 0.00 0.00 70.33 68.14 1w9s n THR 86 CO 0.00 0.00 0.00 -0.22 -0.64 0.00 0.00 175.07 174.21 1w9s s LEU 87 N 0.57 4.36 0.03 -4.42 2.96 -1.26 -4.08 118.68 116.83 1w9s s LEU 87 Ca 0.79 2.41 0.22 0.00 -0.22 0.00 0.00 54.13 57.34 1w9s s LEU 87 Cb -0.90 -3.54 -0.20 0.00 0.50 0.00 0.00 46.19 42.04 1w9s s LEU 87 CO 0.49 -0.93 0.72 0.18 -1.32 0.00 0.00 176.35 175.49 1w9s n LEU 88 N 6.63 0.37 0.00 -0.68 4.77 0.51 -5.02 117.00 123.58 1w9s n LEU 88 Ca 0.17 -0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.15 1w9s n LEU 88 Cb 0.42 -0.03 0.00 0.00 -2.33 0.00 0.00 43.42 41.48 1w9s n LEU 88 CO 0.64 0.00 0.00 0.61 -1.33 0.00 0.00 177.39 177.31 1w9s n GLY 89 N 1.29 0.62 3.28 -0.72 0.00 -1.23 -1.05 105.19 107.38 1w9s n GLY 89 Ca -0.01 -0.97 -0.11 0.00 0.00 0.00 0.00 46.02 44.93 1w9s n GLY 89 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 1w9s s ASP 90 N 0.00 0.12 -0.03 1.61 3.84 -1.23 -0.56 116.67 120.42 1w9s s ASP 90 Ca 0.00 -1.19 0.01 0.00 -0.00 0.00 0.00 52.55 51.36 1w9s s ASP 90 Cb 0.00 0.41 0.02 0.00 -1.38 0.00 0.00 42.92 41.97 1w9s s ASP 90 CO 0.00 -0.88 -0.02 -0.69 -0.00 0.00 0.00 175.17 173.58 1w9s s VAL 91 N -4.08 0.29 0.02 2.11 1.01 0.19 -4.14 120.40 115.80 1w9s s VAL 91 Ca 0.30 -0.02 -0.22 0.00 0.00 0.00 0.00 61.98 62.04 1w9s s VAL 91 Cb 0.05 -0.33 -0.06 0.00 0.00 0.00 0.00 36.38 36.04 1w9s s VAL 91 CO 0.08 0.15 0.64 -1.10 0.00 0.00 0.00 175.10 174.87 1w9s s GLN 92 N 0.72 4.36 -0.19 2.72 -1.52 -1.26 -0.72 119.66 123.77 1w9s s GLN 92 Ca -0.08 0.83 0.01 0.00 -1.95 0.00 0.00 55.36 54.18 1w9s s GLN 92 Cb -0.11 -3.33 0.03 0.00 -0.22 0.00 0.00 33.01 29.38 1w9s s GLN 92 CO -0.01 0.38 -0.16 0.08 -0.25 0.00 0.00 175.29 175.33 1w9s s VAL 93 N -0.28 1.96 0.57 1.09 1.01 0.43 -4.82 120.40 120.37 1w9s s VAL 93 Ca 0.33 -1.05 -0.01 0.00 0.00 0.00 0.00 61.98 61.25 1w9s s VAL 93 Cb -0.19 -1.87 0.03 0.00 0.00 0.00 0.00 36.38 34.35 1w9s s VAL 93 CO 0.19 0.36 0.82 -2.16 0.00 0.00 0.00 175.10 174.32 1w9s s PRO 94 N 1.29 2.54 0.29 2.72 0.04 -1.26 -0.87 135.00 139.75 1w9s s PRO 94 Ca 0.01 -0.60 -0.30 0.00 0.04 0.00 0.00 61.00 60.15 1w9s s PRO 94 Cb -0.15 -2.42 -0.12 0.00 0.04 0.00 0.00 34.50 31.85 1w9s s PRO 94 CO -0.10 -0.78 1.45 -1.71 0.04 0.00 0.00 177.00 175.90 1w9s n ASN 95 N -2.45 3.22 -0.18 6.66 5.15 -1.23 -4.49 115.26 121.94 1w9s n ASN 95 Ca 0.07 1.17 0.02 0.00 -0.60 0.00 0.00 54.58 55.24 1w9s n ASN 95 Cb 0.60 -1.51 0.02 0.00 -0.53 0.00 0.00 39.78 38.35 1w9s n ASN 95 CO 0.00 0.00 0.00 0.35 1.40 0.00 0.00 177.26 179.01 1w9s n THR 96 N 1.49 0.01 -0.01 -0.44 -2.24 -0.54 -4.93 114.28 107.61 1w9s n THR 96 Ca 0.08 -0.51 0.00 0.00 -2.27 0.00 0.00 64.05 61.36 1w9s n THR 96 Cb 0.35 1.08 0.00 0.00 -2.10 0.00 0.00 70.33 69.66 1w9s n THR 96 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1w9s n GLY 97 N 0.24 0.45 0.00 3.38 0.00 -1.13 -4.79 105.19 103.34 1w9s n GLY 97 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.05 1w9s n GLY 97 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1w9s n GLY 98 N -2.00 1.95 0.17 -0.02 0.00 -1.12 -4.91 105.19 99.26 1w9s n GLY 98 Ca 0.00 -0.88 0.13 0.00 0.00 0.00 0.00 46.02 45.27 1w9s n GLY 98 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 173.32 174.81 1w9s h TRP 99 N 0.00 0.00 0.00 1.61 -0.00 -1.91 -2.70 115.95 112.96 1w9s h TRP 99 Ca 0.00 0.00 -0.03 0.00 -0.00 0.00 0.00 58.89 58.86 1w9s h TRP 99 Cb 0.00 0.00 -0.08 0.00 -0.00 0.00 0.00 29.16 29.08 1w9s h TRP 99 CO 0.00 0.00 -0.48 1.04 -0.00 0.00 0.00 178.44 179.00 1w9s n GLN 100 N -2.48 1.02 -3.27 0.49 1.13 -1.26 -4.70 117.38 108.31 1w9s n GLN 100 Ca 0.02 -2.61 -0.45 0.00 -1.94 0.00 0.00 57.00 52.01 1w9s n GLN 100 Cb 0.25 -1.15 -0.05 0.00 0.11 0.00 0.00 30.24 29.40 1w9s n GLN 100 CO 0.00 0.00 0.00 -0.65 -1.44 0.00 0.00 177.06 174.97 1w9s s GLN 101 N -2.16 3.01 -0.02 -1.09 -1.52 -1.03 -4.79 119.66 112.06 1w9s s GLN 101 Ca 0.31 -1.55 -0.13 0.00 -1.95 0.00 0.00 55.36 52.05 1w9s s GLN 101 Cb 0.31 -4.27 -0.05 0.00 -0.22 0.00 0.00 33.01 28.78 1w9s s GLN 101 CO -0.06 -1.35 0.35 -1.58 -0.25 0.00 0.00 175.29 172.41 1w9s s TRP 102 N 1.90 3.69 0.04 0.91 0.52 -1.26 -4.33 118.94 120.40 1w9s s TRP 102 Ca 0.06 0.87 -0.02 0.00 0.02 0.00 0.00 56.10 57.03 1w9s s TRP 102 Cb -0.28 -2.20 -0.02 0.00 -1.15 0.00 0.00 33.47 29.82 1w9s s TRP 102 CO 0.04 0.65 0.02 -0.65 0.02 0.00 0.00 176.95 177.03 1w9s s GLN 103 N -1.16 0.53 -0.22 4.98 -0.21 -0.36 -4.99 119.66 118.24 1w9s s GLN 103 Ca 0.23 -0.90 -0.07 0.00 0.02 0.00 0.00 55.36 54.64 1w9s s GLN 103 Cb -0.15 0.19 -0.03 0.00 1.00 0.00 0.00 33.01 34.02 1w9s s GLN 103 CO 0.12 -0.11 0.06 0.99 -2.12 0.00 0.00 175.29 174.23 1w9s s THR 104 N -2.85 4.45 0.29 -0.19 2.01 -1.26 -0.74 115.64 117.34 1w9s s THR 104 Ca -0.03 -0.14 0.10 0.00 0.31 0.00 0.00 61.69 61.94 1w9s s THR 104 Cb 0.00 -3.04 -0.05 0.00 0.01 0.00 0.00 72.50 69.42 1w9s s THR 104 CO -0.06 0.39 -0.08 0.68 -0.69 0.00 0.00 174.62 174.87 1w9s s VAL 105 N 1.08 2.88 0.04 3.82 -7.23 -0.20 -4.95 120.40 115.85 1w9s s VAL 105 Ca 0.04 -2.12 0.00 0.00 -1.81 0.00 0.00 61.98 58.09 1w9s s VAL 105 Cb -0.14 -2.63 -0.03 0.00 0.56 0.00 0.00 36.38 34.14 1w9s s VAL 105 CO 0.03 -0.34 -0.04 0.42 -0.31 0.00 0.00 175.10 174.85 1w9s s THR 106 N -2.44 0.28 0.06 5.32 -4.23 -1.26 -0.89 115.64 112.48 1w9s s THR 106 Ca 0.32 -1.26 -0.13 0.00 -1.18 0.00 0.00 61.69 59.44 1w9s s THR 106 Cb -0.04 -0.77 0.02 0.00 1.34 0.00 0.00 72.50 73.05 1w9s s THR 106 CO 0.18 -0.63 0.28 -0.83 -0.54 0.00 0.00 174.62 173.08 1w9s s GLY 107 N -1.98 -0.08 0.33 3.99 0.00 -0.54 -4.64 107.32 104.40 1w9s s GLY 107 Ca -0.07 -0.17 -0.27 0.00 0.00 0.00 0.00 44.72 44.22 1w9s s GLY 107 CO -0.03 -0.38 1.09 -1.31 0.00 0.00 0.00 173.10 172.47 1w9s s ASN 108 N -2.34 7.01 0.23 1.64 0.01 -1.26 -0.62 114.94 119.60 1w9s s ASN 108 Ca -0.02 2.21 0.03 0.00 -0.71 0.00 0.00 52.86 54.38 1w9s s ASN 108 Cb 0.01 -2.61 -0.05 0.00 0.41 0.00 0.00 41.25 39.00 1w9s s ASN 108 CO -0.06 -0.32 0.00 0.68 -1.51 0.00 0.00 177.10 175.89 1w9s s VAL 109 N -1.35 0.99 -0.27 1.60 -7.23 -0.68 -3.54 120.40 109.93 1w9s s VAL 109 Ca 0.50 -2.03 -0.00 0.00 -1.81 0.00 0.00 61.98 58.64 1w9s s VAL 109 Cb -0.29 -2.34 0.08 0.00 0.56 0.00 0.00 36.38 34.40 1w9s s VAL 109 CO 0.37 -0.32 0.05 -1.10 -0.31 0.00 0.00 175.10 173.78 1w9s s GLN 110 N -3.87 0.97 -0.11 4.82 -0.21 -0.21 -4.07 119.66 116.98 1w9s s GLN 110 Ca 0.28 -0.98 0.00 0.00 0.02 0.00 0.00 55.36 54.68 1w9s s GLN 110 Cb 0.06 -2.26 0.02 0.00 1.00 0.00 0.00 33.01 31.83 1w9s s GLN 110 CO 0.09 -0.82 -0.09 0.42 -2.12 0.00 0.00 175.29 172.76 1w9s s ILE 111 N 1.56 1.12 0.63 1.08 1.01 -0.99 -4.84 121.20 120.76 1w9s s ILE 111 Ca 0.04 -0.36 -0.10 0.00 0.00 0.00 0.00 60.65 60.23 1w9s s ILE 111 Cb -0.18 -1.10 -0.02 0.00 0.01 0.00 0.00 42.46 41.17 1w9s s ILE 111 CO -0.16 0.38 1.01 -1.10 0.00 0.00 0.00 174.94 175.08 1w9s s GLN 112 N 1.52 3.33 0.46 2.79 -0.21 -1.26 -1.23 119.66 125.07 1w9s s GLN 112 Ca 0.02 0.55 -0.24 0.00 0.02 0.00 0.00 55.36 55.71 1w9s s GLN 112 Cb -0.13 -2.11 -0.08 0.00 1.00 0.00 0.00 33.01 31.69 1w9s s GLN 112 CO -0.07 -0.67 1.32 -2.30 -2.12 0.00 0.00 175.29 171.45 1w9s n PRO 113 N -2.76 1.93 -3.22 2.91 -0.02 -1.26 -4.87 135.00 127.71 1w9s n PRO 113 Ca 0.06 0.69 0.00 0.00 -2.02 0.00 0.00 63.50 62.23 1w9s n PRO 113 Cb 0.55 -2.48 0.00 0.00 -0.02 0.00 0.00 33.50 31.55 1w9s n PRO 113 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1w9s n GLY 114 N 0.75 -1.84 3.34 -1.23 0.00 -0.44 -4.97 105.19 100.79 1w9s n GLY 114 Ca 0.07 -1.43 -0.33 0.00 0.00 0.00 0.00 46.02 44.33 1w9s n GLY 114 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1w9s s THR 115 N -2.07 2.95 0.07 2.61 2.01 -1.26 -0.27 115.64 119.69 1w9s s THR 115 Ca 0.00 -0.68 0.03 0.00 0.31 0.00 0.00 61.69 61.34 1w9s s THR 115 Cb 0.00 -2.25 -0.03 0.00 0.01 0.00 0.00 72.50 70.23 1w9s s THR 115 CO 0.00 0.51 -0.09 -0.31 -0.69 0.00 0.00 174.62 174.05 1w9s s TYR 116 N 0.56 0.87 -0.38 4.92 1.51 0.05 -4.91 117.35 119.96 1w9s s TYR 116 Ca -0.08 -0.65 -0.24 0.00 -1.01 0.00 0.00 57.07 55.09 1w9s s TYR 116 Cb -0.16 -0.50 0.01 0.00 -0.11 0.00 0.00 41.96 41.21 1w9s s TYR 116 CO 0.04 -0.07 0.81 -0.51 -1.11 0.00 0.00 175.55 174.70 1w9s s ASP 117 N -2.21 6.54 -0.14 2.29 1.01 -1.26 -0.74 116.67 122.16 1w9s s ASP 117 Ca 0.01 0.29 -0.15 0.00 0.71 0.00 0.00 52.55 53.41 1w9s s ASP 117 Cb -0.04 -2.40 -0.05 0.00 1.01 0.00 0.00 42.92 41.44 1w9s s ASP 117 CO -0.01 -0.79 0.33 -0.69 0.21 0.00 0.00 175.17 174.22 1w9s s VAL 118 N 3.21 5.27 -0.10 -1.27 1.01 -0.08 -1.12 120.40 127.31 1w9s s VAL 118 Ca 0.32 0.64 0.01 0.00 0.00 0.00 0.00 61.98 62.96 1w9s s VAL 118 Cb -0.13 -3.67 -0.02 0.00 0.00 0.00 0.00 36.38 32.56 1w9s s VAL 118 CO 0.18 0.40 -0.13 -0.31 0.00 0.00 0.00 175.10 175.24 1w9s s TYR 119 N 0.34 2.77 -0.26 5.22 2.02 0.20 -0.59 117.35 127.06 1w9s s TYR 119 Ca 0.19 -0.44 -0.09 0.00 -0.37 0.00 0.00 57.07 56.36 1w9s s TYR 119 Cb -0.14 -1.76 -0.04 0.00 -0.40 0.00 0.00 41.96 39.63 1w9s s TYR 119 CO 0.06 -0.05 0.11 -0.51 -1.57 0.00 0.00 175.55 173.59 1w9s s LEU 120 N -0.08 3.64 -0.18 -1.29 1.02 -0.36 -1.63 118.68 119.80 1w9s s LEU 120 Ca -0.02 -0.14 -0.03 0.00 0.02 0.00 0.00 54.13 53.96 1w9s s LEU 120 Cb -0.14 -1.99 -0.02 0.00 0.02 0.00 0.00 46.19 44.07 1w9s s LEU 120 CO 0.04 -0.04 -0.06 -0.69 0.02 0.00 0.00 176.35 175.62 1w9s s VAL 121 N 1.64 3.46 -0.14 -1.59 1.01 -0.46 -1.67 120.40 122.65 1w9s s VAL 121 Ca 0.07 -0.49 -0.13 0.00 0.00 0.00 0.00 61.98 61.43 1w9s s VAL 121 Cb -0.15 -2.53 -0.05 0.00 0.00 0.00 0.00 36.38 33.65 1w9s s VAL 121 CO 0.06 0.47 0.28 -0.36 0.00 0.00 0.00 175.10 175.54 1w9s s PHE 122 N 0.87 3.51 0.02 5.22 0.08 -0.11 -0.48 117.98 127.08 1w9s s PHE 122 Ca -0.01 0.61 0.02 0.00 0.12 0.00 0.00 56.93 57.67 1w9s s PHE 122 Cb -0.15 -2.27 -0.01 0.00 -0.57 0.00 0.00 43.02 40.02 1w9s s PHE 122 CO 0.01 0.35 -0.06 0.15 -0.10 0.00 0.00 175.22 175.57 1w9s s LYS 123 N 0.09 0.46 0.00 0.44 -0.14 -0.30 0.19 119.74 120.48 1w9s s LYS 123 Ca 0.16 -0.45 0.00 0.00 -1.36 0.00 0.00 55.97 54.33 1w9s s LYS 123 Cb -0.13 -0.34 0.00 0.00 -1.68 0.00 0.00 37.83 35.68 1w9s s LYS 123 CO 0.05 0.08 0.00 0.41 -0.76 0.00 0.00 175.35 175.12 1w9s n GLY 124 N 2.26 -0.55 3.76 -3.33 0.00 -1.26 -0.71 105.19 105.36 1w9s n GLY 124 Ca -0.18 -0.79 -0.39 0.00 0.00 0.00 0.00 46.02 44.66 1w9s n GLY 124 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1w9s s SER 125 N -4.00 5.85 0.00 1.61 0.15 -1.26 -4.72 113.70 111.32 1w9s s SER 125 Ca 0.00 2.84 0.25 0.00 0.70 0.00 0.00 55.95 59.74 1w9s s SER 125 Cb 0.00 -2.65 1.22 0.00 -1.71 0.00 0.00 66.02 62.88 1w9s s SER 125 CO 0.00 -1.19 1.83 -0.81 1.20 0.00 0.00 173.24 174.27 1w9s n PRO 126 N -0.29 0.28 0.00 5.44 -0.04 -1.26 -4.12 135.00 135.01 1w9s n PRO 126 Ca 0.06 0.06 0.13 0.00 -0.04 0.00 0.00 63.50 63.70 1w9s n PRO 126 Cb 0.43 -1.50 0.39 0.00 -0.04 0.00 0.00 33.50 32.77 1w9s n PRO 126 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 1w9s n GLU 127 N -1.33 0.87 -3.70 0.54 1.02 -1.26 -4.87 120.64 111.90 1w9s n GLU 127 Ca 0.11 -0.51 -0.11 0.00 -0.02 0.00 0.00 57.16 56.62 1w9s n GLU 127 Cb 0.22 -1.49 -0.06 0.00 -0.02 0.00 0.00 31.44 30.09 1w9s n GLU 127 CO 0.00 0.00 0.00 1.52 1.18 0.00 0.00 177.13 179.83 1w9s s TYR 128 N -2.48 -0.15 0.55 -0.32 -0.85 -1.26 -5.14 117.35 107.69 1w9s s TYR 128 Ca 0.25 -0.04 -0.19 0.00 -0.52 0.00 0.00 57.07 56.56 1w9s s TYR 128 Cb 0.19 0.17 -0.05 0.00 0.38 0.00 0.00 41.96 42.65 1w9s s TYR 128 CO 0.51 -0.59 1.14 -0.51 -1.52 0.00 0.00 175.55 174.58 1w9s s ASP 129 N -2.38 5.64 -0.25 -0.18 1.11 -1.26 -4.76 116.67 114.59 1w9s s ASP 129 Ca -0.01 2.21 -0.01 0.00 0.18 0.00 0.00 52.55 54.91 1w9s s ASP 129 Cb 0.01 -2.58 -0.17 0.00 1.07 0.00 0.00 42.92 41.25 1w9s s ASP 129 CO -0.07 -1.28 -0.21 0.18 1.18 0.00 0.00 175.17 174.97 1w9s n LEU 130 N -1.36 2.78 -3.61 1.23 4.77 0.24 -4.69 117.00 116.36 1w9s n LEU 130 Ca 0.12 -0.03 -0.02 0.00 -0.03 0.00 0.00 56.01 56.04 1w9s n LEU 130 Cb 0.51 -0.91 -0.01 0.00 -2.33 0.00 0.00 43.42 40.67 1w9s n LEU 130 CO 0.43 0.87 1.04 0.00 -1.33 0.00 0.00 177.39 178.40 1w9s s MET 131 N -2.52 0.31 0.15 3.23 0.23 -1.26 -3.77 119.30 115.68 1w9s s MET 131 Ca -0.35 -0.14 0.08 0.00 -1.03 0.00 0.00 55.69 54.25 1w9s s MET 131 Cb 0.10 0.13 -0.04 0.00 -1.53 0.00 0.00 34.83 33.48 1w9s s MET 131 CO 0.59 -0.14 -0.11 -0.80 -2.03 0.00 0.00 175.02 172.54 1w9s s ASN 132 N -2.46 4.25 -0.04 -1.18 0.01 0.71 -4.08 114.94 112.15 1w9s s ASN 132 Ca 0.11 -0.52 0.01 0.00 -0.71 0.00 0.00 52.86 51.75 1w9s s ASN 132 Cb 0.01 -0.73 0.02 0.00 0.41 0.00 0.00 41.25 40.96 1w9s s ASN 132 CO -0.04 0.13 -0.02 -0.69 -1.51 0.00 0.00 177.10 174.97 1w9s s VAL 133 N -1.48 0.37 -0.22 1.60 1.01 -0.58 -1.67 120.40 119.42 1w9s s VAL 133 Ca 0.23 -0.02 -0.19 0.00 0.00 0.00 0.00 61.98 62.00 1w9s s VAL 133 Cb -0.10 -0.43 -0.16 0.00 0.00 0.00 0.00 36.38 35.69 1w9s s VAL 133 CO 0.14 0.19 0.03 -3.20 0.00 0.00 0.00 175.10 172.26 1w9s n ASN 134 N 4.10 1.88 -3.84 3.32 2.85 -0.20 -1.09 115.26 122.29 1w9s n ASN 134 Ca -0.25 0.41 -0.06 0.00 -0.11 0.00 0.00 54.58 54.56 1w9s n ASN 134 Cb 0.51 -0.92 -0.02 0.00 1.24 0.00 0.00 39.78 40.59 1w9s n ASN 134 CO 0.00 0.00 0.00 -1.66 -2.11 0.00 0.00 177.26 173.49 1w9s s TRP 135 N -2.41 -0.18 0.13 1.20 1.48 -1.25 -1.06 118.94 116.85 1w9s s TRP 135 Ca -0.31 -0.26 -0.09 0.00 -1.06 0.00 0.00 56.10 54.39 1w9s s TRP 135 Cb 0.08 0.70 -0.01 0.00 -1.16 0.00 0.00 33.47 33.08 1w9s s TRP 135 CO 0.54 -1.17 0.23 -0.59 -4.06 0.00 0.00 176.95 171.91 1w9s s PHE 136 N -3.80 0.28 -0.16 1.66 -0.71 -0.41 -1.38 117.98 113.47 1w9s s PHE 136 Ca 0.11 -0.68 -0.20 0.00 -1.04 0.00 0.00 56.93 55.13 1w9s s PHE 136 Cb -0.05 -0.07 0.05 0.00 -1.21 0.00 0.00 43.02 41.74 1w9s s PHE 136 CO 0.06 -0.63 0.53 0.54 -1.34 0.00 0.00 175.22 174.38 1w9s s VAL 137 N -3.91 0.01 0.32 -2.49 0.11 -0.09 -0.75 120.40 113.60 1w9s s VAL 137 Ca 0.11 -0.05 -0.00 0.00 -2.93 0.00 0.00 61.98 59.10 1w9s s VAL 137 Cb 0.04 -0.76 -0.04 0.00 -1.53 0.00 0.00 36.38 34.10 1w9s s VAL 137 CO -0.06 -0.03 0.53 -0.36 -3.33 0.00 0.00 175.10 171.86 1w9s s PHE 138 N -0.07 3.50 0.06 1.54 0.40 0.55 -0.18 117.98 123.78 1w9s s PHE 138 Ca -0.03 0.40 0.07 0.00 -0.60 0.00 0.00 56.93 56.77 1w9s s PHE 138 Cb -0.03 -1.92 -0.03 0.00 0.51 0.00 0.00 43.02 41.54 1w9s s PHE 138 CO 0.02 0.15 -0.19 1.03 0.70 0.00 0.00 175.22 176.94 1w9s s ARG 139 N -4.10 1.17 0.00 0.44 1.81 -0.32 -4.51 118.95 113.44 1w9s s ARG 139 Ca 0.40 -0.97 0.03 0.00 -1.72 0.00 0.00 55.73 53.47 1w9s s ARG 139 Cb -0.10 -1.30 0.02 0.00 -0.45 0.00 0.00 34.95 33.12 1w9s s ARG 139 CO 0.34 0.32 0.59 0.00 -0.68 0.00 0.00 175.30 175.87