#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2pa7 n ASN 3 N 0.00 1.78 -0.09 4.31 0.23 -1.26 -4.74 115.26 115.49 2pa7 n ASN 3 Ca 0.00 -0.02 -0.08 0.00 -0.53 0.00 0.00 54.58 53.95 2pa7 n ASN 3 Cb 0.00 0.60 -0.14 0.00 -2.08 0.00 0.00 39.78 38.15 2pa7 n ASN 3 CO 0.00 0.00 0.00 0.29 -0.93 0.00 0.00 177.26 176.62 2pa7 n LYS 4 N -2.63 1.01 -3.01 -3.83 4.76 -1.26 -4.83 118.16 108.37 2pa7 n LYS 4 Ca -0.25 -0.02 -0.40 0.00 -2.87 0.00 0.00 58.31 54.77 2pa7 n LYS 4 Cb 0.93 -1.47 -0.05 0.00 -1.84 0.00 0.00 35.03 32.61 2pa7 n LYS 4 CO 0.00 0.00 0.00 0.08 -1.37 0.00 0.00 177.40 176.11 2pa7 s VAL 5 N -2.48 4.99 -0.17 -0.18 1.01 -1.26 0.57 120.40 122.88 2pa7 s VAL 5 Ca -0.09 1.45 -0.03 0.00 0.00 0.00 0.00 61.98 63.31 2pa7 s VAL 5 Cb 0.06 -4.05 -0.02 0.00 0.00 0.00 0.00 36.38 32.37 2pa7 s VAL 5 CO 0.75 0.15 -0.07 -0.63 0.00 0.00 0.00 175.10 175.30 2pa7 s ILE 6 N 1.47 3.44 -0.42 2.22 1.01 0.14 -4.06 121.20 125.00 2pa7 s ILE 6 Ca 0.36 -0.50 -0.11 0.00 0.00 0.00 0.00 60.65 60.40 2pa7 s ILE 6 Cb -0.17 -2.51 0.07 0.00 0.01 0.00 0.00 42.46 39.86 2pa7 s ILE 6 CO 0.15 0.48 0.27 0.20 0.00 0.00 0.00 174.94 176.04 2pa7 s ASN 7 N 0.77 5.75 0.43 3.58 0.01 -1.26 -1.03 114.94 123.18 2pa7 s ASN 7 Ca -0.03 -1.38 -0.21 0.00 -0.71 0.00 0.00 52.86 50.53 2pa7 s ASN 7 Cb -0.15 -2.03 -0.11 0.00 0.41 0.00 0.00 41.25 39.37 2pa7 s ASN 7 CO 0.02 -0.53 0.95 -0.36 -1.51 0.00 0.00 177.10 175.67 2pa7 s PHE 8 N 1.49 3.31 0.26 2.20 0.40 0.11 -5.00 117.98 120.76 2pa7 s PHE 8 Ca 0.03 1.60 -0.29 0.00 -0.60 0.00 0.00 56.93 57.67 2pa7 s PHE 8 Cb -0.23 -2.85 -0.09 0.00 0.51 0.00 0.00 43.02 40.36 2pa7 s PHE 8 CO 0.04 -0.12 1.22 0.21 0.70 0.00 0.00 175.22 177.27 2pa7 s LYS 9 N -3.20 4.48 -0.08 0.44 2.20 -1.26 -4.91 119.74 117.41 2pa7 s LYS 9 Ca 0.62 1.99 0.04 0.00 -0.36 0.00 0.00 55.97 58.27 2pa7 s LYS 9 Cb -0.09 -3.16 -0.01 0.00 -1.51 0.00 0.00 37.83 33.06 2pa7 s LYS 9 CO 0.13 -0.05 -0.23 0.21 -0.36 0.00 0.00 175.35 175.06 2pa7 s LYS 10 N -1.08 2.84 -0.20 4.03 2.20 -1.26 -4.49 119.74 121.78 2pa7 s LYS 10 Ca 0.50 -0.86 -0.12 0.00 -0.36 0.00 0.00 55.97 55.13 2pa7 s LYS 10 Cb -0.35 -2.29 -0.05 0.00 -1.51 0.00 0.00 37.83 33.63 2pa7 s LYS 10 CO 0.43 0.30 0.21 0.42 -0.36 0.00 0.00 175.35 176.35 2pa7 s ILE 11 N 0.06 5.34 -0.01 5.43 -1.09 0.40 -4.94 121.20 126.40 2pa7 s ILE 11 Ca -0.10 0.34 0.07 0.00 -2.23 0.00 0.00 60.65 58.74 2pa7 s ILE 11 Cb -0.15 -3.55 -0.02 0.00 -1.58 0.00 0.00 42.46 37.16 2pa7 s ILE 11 CO 0.06 0.38 -0.22 -0.63 -1.23 0.00 0.00 174.94 173.30 2pa7 s ILE 12 N 0.69 1.73 0.19 2.92 1.01 -1.26 -0.52 121.20 125.95 2pa7 s ILE 12 Ca 0.11 -0.97 -0.04 0.00 0.00 0.00 0.00 60.65 59.76 2pa7 s ILE 12 Cb -0.13 -1.44 0.02 0.00 0.01 0.00 0.00 42.46 40.92 2pa7 s ILE 12 CO 0.02 0.46 0.31 -0.90 0.00 0.00 0.00 174.94 174.83 2pa7 n ASP 13 N 2.46 -0.89 0.31 3.58 5.68 -0.55 -5.00 116.55 122.13 2pa7 n ASP 13 Ca -0.16 -1.90 0.18 0.00 -0.50 0.00 0.00 54.79 52.42 2pa7 n ASP 13 Cb 0.53 1.57 1.01 0.00 -1.14 0.00 0.00 41.12 43.09 2pa7 n ASP 13 CO 0.00 0.00 0.00 0.77 -1.33 0.00 0.00 177.20 176.64 2pa7 h SER 14 N 1.00 0.00 1.23 -1.12 4.64 -2.05 -2.31 113.55 114.93 2pa7 h SER 14 Ca -0.15 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.16 2pa7 h SER 14 Cb 0.61 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.70 2pa7 h SER 14 CO 0.20 0.02 -0.78 0.03 -0.87 0.00 0.00 176.83 175.43 2pa7 h ARG 15 N 0.00 0.00 0.00 4.77 3.08 -2.01 -3.50 114.38 116.72 2pa7 h ARG 15 Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 2pa7 h ARG 15 Cb 0.09 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.14 2pa7 h ARG 15 CO 0.00 0.01 0.00 0.41 -1.07 0.00 0.00 179.97 179.33 2pa7 n GLY 16 N 1.17 0.35 3.32 0.04 0.00 -0.87 -5.13 105.19 104.07 2pa7 n GLY 16 Ca 0.01 -1.32 -0.25 0.00 0.00 0.00 0.00 46.02 44.45 2pa7 n GLY 16 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2pa7 s SER 17 N -4.00 2.75 -0.03 1.61 0.01 -1.26 -1.48 113.70 111.30 2pa7 s SER 17 Ca 0.00 -0.71 -0.02 0.00 1.31 0.00 0.00 55.95 56.53 2pa7 s SER 17 Cb 0.00 -0.16 0.01 0.00 0.21 0.00 0.00 66.02 66.08 2pa7 s SER 17 CO 0.00 0.09 0.07 -0.22 0.41 0.00 0.00 173.24 173.58 2pa7 s LEU 18 N -1.98 1.54 -0.04 2.44 0.20 0.32 -4.98 118.68 116.19 2pa7 s LEU 18 Ca 0.09 0.13 0.03 0.00 0.69 0.00 0.00 54.13 55.07 2pa7 s LEU 18 Cb -0.10 0.18 0.00 0.00 -0.43 0.00 0.00 46.19 45.85 2pa7 s LEU 18 CO 0.05 -0.05 -0.13 -0.69 -0.29 0.00 0.00 176.35 175.24 2pa7 s VAL 19 N 0.33 1.11 -0.14 1.68 1.01 -1.26 -0.45 120.40 122.68 2pa7 s VAL 19 Ca -0.02 -0.54 0.01 0.00 0.00 0.00 0.00 61.98 61.43 2pa7 s VAL 19 Cb -0.04 -0.97 0.02 0.00 0.00 0.00 0.00 36.38 35.39 2pa7 s VAL 19 CO -0.01 0.33 -0.15 0.00 0.00 0.00 0.00 175.10 175.27 2pa7 s ALA 20 N 0.16 1.88 -0.20 5.51 0.00 -1.26 -5.09 121.76 122.76 2pa7 s ALA 20 Ca -0.04 -0.90 -0.08 0.00 0.00 0.00 0.00 51.96 50.94 2pa7 s ALA 20 Cb -0.11 -1.02 -0.04 0.00 0.00 0.00 0.00 23.12 21.96 2pa7 s ALA 20 CO 0.01 -0.31 0.07 0.42 0.00 0.00 0.00 175.76 175.96 2pa7 s ILE 21 N 1.35 4.75 -0.17 0.00 1.01 -1.26 -4.92 121.20 121.96 2pa7 s ILE 21 Ca 0.02 -0.04 0.01 0.00 0.00 0.00 0.00 60.65 60.64 2pa7 s ILE 21 Cb -0.13 -3.16 0.02 0.00 0.01 0.00 0.00 42.46 39.20 2pa7 s ILE 21 CO -0.09 0.43 -0.18 -1.61 0.00 0.00 0.00 174.94 173.49 2pa7 s GLU 22 N 0.67 2.71 0.11 2.79 2.02 -1.26 -5.03 118.70 120.70 2pa7 s GLU 22 Ca 0.04 -0.73 -0.35 0.00 0.02 0.00 0.00 54.97 53.94 2pa7 s GLU 22 Cb -0.13 -2.39 -0.17 0.00 0.10 0.00 0.00 34.13 31.53 2pa7 s GLU 22 CO 0.02 -0.22 1.15 -0.85 0.02 0.00 0.00 175.26 175.37 2pa7 n GLU 23 N 4.68 0.80 -0.94 1.61 0.28 -1.26 0.26 120.64 126.06 2pa7 n GLU 23 Ca -0.19 0.29 0.00 0.00 -0.16 0.00 0.00 57.16 57.09 2pa7 n GLU 23 Cb 0.50 -1.79 0.00 0.00 1.43 0.00 0.00 31.44 31.58 2pa7 n GLU 23 CO 0.00 0.00 0.00 0.09 -0.16 0.00 0.00 177.13 177.06 2pa7 n ASN 24 N 2.06 -5.13 0.00 -1.84 3.02 -0.63 -4.77 115.26 107.97 2pa7 n ASN 24 Ca 0.18 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.73 2pa7 n ASN 24 Cb 0.19 -3.24 0.00 0.00 -0.61 0.00 0.00 39.78 36.12 2pa7 n ASN 24 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 2pa7 n LYS 25 N 0.46 0.00 -0.29 3.52 5.02 0.14 -4.77 118.16 122.24 2pa7 n LYS 25 Ca 0.00 0.00 0.09 0.00 -2.02 0.00 0.00 58.31 56.38 2pa7 n LYS 25 Cb 0.42 -0.30 0.24 0.00 -0.02 0.00 0.00 35.03 35.36 2pa7 n LYS 25 CO 0.00 0.00 0.00 0.27 -0.52 0.00 0.00 177.40 177.15 2pa7 n ASN 26 N -2.36 3.50 -3.90 4.39 0.23 -0.99 -4.87 115.26 111.26 2pa7 n ASN 26 Ca 0.00 -2.04 -0.11 0.00 -0.53 0.00 0.00 54.58 51.89 2pa7 n ASN 26 Cb 0.00 -0.37 -0.13 0.00 -2.08 0.00 0.00 39.78 37.20 2pa7 n ASN 26 CO 0.00 0.00 0.00 0.27 -0.93 0.00 0.00 177.26 176.60 2pa7 s ILE 27 N -1.08 0.03 -2.00 1.53 -4.36 -1.25 -4.95 121.20 109.12 2pa7 s ILE 27 Ca 0.37 -0.24 0.01 0.00 -0.26 0.00 0.00 60.65 60.52 2pa7 s ILE 27 Cb 0.20 -0.08 0.02 0.00 1.25 0.00 0.00 42.46 43.84 2pa7 s ILE 27 CO 0.24 -0.13 0.91 -0.81 0.24 0.00 0.00 174.94 175.39 2pa7 n PRO 28 N 2.68 0.89 -4.09 0.37 -0.04 -1.26 -1.60 135.00 131.94 2pa7 n PRO 28 Ca -0.15 0.00 -0.12 0.00 -0.04 0.00 0.00 63.50 63.19 2pa7 n PRO 28 Cb 0.59 -1.01 -0.06 0.00 -0.04 0.00 0.00 33.50 32.97 2pa7 n PRO 28 CO 0.00 0.00 0.00 -0.59 -0.04 0.00 0.00 175.50 174.87 2pa7 s PHE 29 N -2.00 0.87 0.13 0.54 -0.12 -1.26 -4.82 117.98 111.32 2pa7 s PHE 29 Ca 0.01 -1.13 -0.28 0.00 -0.05 0.00 0.00 56.93 55.48 2pa7 s PHE 29 Cb 0.00 -0.14 -0.07 0.00 -0.63 0.00 0.00 43.02 42.19 2pa7 s PHE 29 CO 0.01 -0.94 0.88 -1.12 -0.05 0.00 0.00 175.22 173.99 2pa7 s SER 30 N -3.15 7.44 -0.15 1.98 0.01 -1.26 -2.02 113.70 116.56 2pa7 s SER 30 Ca 0.30 1.72 -0.21 0.00 1.31 0.00 0.00 55.95 59.06 2pa7 s SER 30 Cb 0.02 -2.55 -0.03 0.00 0.21 0.00 0.00 66.02 63.67 2pa7 s SER 30 CO 0.14 0.05 0.64 -0.63 0.41 0.00 0.00 173.24 173.86 2pa7 s ILE 31 N -0.46 5.04 -0.01 1.44 1.01 -1.26 -4.15 121.20 122.81 2pa7 s ILE 31 Ca 0.42 1.25 0.03 0.00 0.00 0.00 0.00 60.65 62.35 2pa7 s ILE 31 Cb -0.23 -3.96 -0.05 0.00 0.01 0.00 0.00 42.46 38.22 2pa7 s ILE 31 CO 0.28 0.17 0.07 0.29 0.00 0.00 0.00 174.94 175.75 2pa7 n LYS 32 N 4.55 0.40 -3.79 2.79 5.02 -0.30 -5.01 118.16 121.82 2pa7 n LYS 32 Ca -0.02 -0.03 -0.13 0.00 -2.02 0.00 0.00 58.31 56.12 2pa7 n LYS 32 Cb 0.50 -1.08 -0.10 0.00 -0.02 0.00 0.00 35.03 34.34 2pa7 n LYS 32 CO 0.00 0.00 0.00 0.50 -0.52 0.00 0.00 177.40 177.38 2pa7 s ARG 33 N -2.21 0.49 -0.14 1.97 3.52 -1.05 -4.72 118.95 116.81 2pa7 s ARG 33 Ca -0.01 -0.02 -0.00 0.00 -0.13 0.00 0.00 55.73 55.56 2pa7 s ARG 33 Cb 0.02 0.22 0.03 0.00 -1.56 0.00 0.00 34.95 33.66 2pa7 s ARG 33 CO 0.13 -0.11 -0.06 0.08 -0.81 0.00 0.00 175.30 174.53 2pa7 s VAL 34 N -0.77 1.06 0.22 7.11 1.01 -1.26 -0.93 120.40 126.84 2pa7 s VAL 34 Ca -0.09 -0.47 0.09 0.00 0.00 0.00 0.00 61.98 61.51 2pa7 s VAL 34 Cb -0.05 -1.17 -0.05 0.00 0.00 0.00 0.00 36.38 35.11 2pa7 s VAL 34 CO 0.02 0.23 -0.17 -0.72 0.00 0.00 0.00 175.10 174.46 2pa7 s TYR 35 N 1.67 1.91 -0.02 5.22 -0.85 -0.44 -4.97 117.35 119.87 2pa7 s TYR 35 Ca 0.03 -0.48 -0.17 0.00 -0.52 0.00 0.00 57.07 55.92 2pa7 s TYR 35 Cb -0.14 -0.88 0.03 0.00 0.38 0.00 0.00 41.96 41.35 2pa7 s TYR 35 CO -0.08 0.46 0.37 1.52 -1.52 0.00 0.00 175.55 176.30 2pa7 s TYR 36 N -2.64 -0.26 -0.12 -3.49 -0.85 -1.26 0.29 117.35 109.02 2pa7 s TYR 36 Ca 0.23 0.41 0.00 0.00 -0.52 0.00 0.00 57.07 57.20 2pa7 s TYR 36 Cb -0.03 0.14 -0.02 0.00 0.38 0.00 0.00 41.96 42.44 2pa7 s TYR 36 CO 0.09 -0.42 -0.12 0.42 -1.52 0.00 0.00 175.55 174.00 2pa7 s ILE 37 N -1.27 3.15 0.34 -3.49 1.01 0.16 -4.98 121.20 116.13 2pa7 s ILE 37 Ca -0.13 -0.64 -0.12 0.00 0.00 0.00 0.00 60.65 59.76 2pa7 s ILE 37 Cb -0.04 -2.31 0.03 0.00 0.01 0.00 0.00 42.46 40.14 2pa7 s ILE 37 CO 0.05 0.54 0.65 0.72 0.00 0.00 0.00 174.94 176.89 2pa7 s PHE 38 N 0.11 0.40 -1.50 3.97 -0.12 -1.26 -1.31 117.98 118.27 2pa7 s PHE 38 Ca -0.06 -0.87 -0.09 0.00 -0.05 0.00 0.00 56.93 55.86 2pa7 s PHE 38 Cb -0.15 0.46 0.07 0.00 -0.63 0.00 0.00 43.02 42.77 2pa7 s PHE 38 CO 0.04 -1.33 0.74 -0.25 -0.05 0.00 0.00 175.22 174.37 2pa7 n ASP 39 N -1.16 -2.60 -4.83 1.98 8.00 -1.26 -4.92 116.55 111.76 2pa7 n ASP 39 Ca -0.04 -0.90 -0.32 0.00 0.71 0.00 0.00 54.79 54.24 2pa7 n ASP 39 Cb 0.61 -3.42 0.01 0.00 -0.02 0.00 0.00 41.12 38.30 2pa7 n ASP 39 CO 0.00 0.00 0.00 0.42 -0.39 0.00 0.00 177.20 177.23 2pa7 s THR 40 N -3.54 4.19 0.18 -3.53 -4.23 -1.26 -5.08 115.64 102.37 2pa7 s THR 40 Ca 0.39 0.88 -0.24 0.00 -1.18 0.00 0.00 61.69 61.54 2pa7 s THR 40 Cb -0.20 -3.55 0.05 0.00 1.34 0.00 0.00 72.50 70.14 2pa7 s THR 40 CO 0.87 -0.77 0.88 -1.59 -0.54 0.00 0.00 174.62 173.47 2pa7 s LYS 41 N -4.57 1.33 0.00 3.99 -2.85 -1.26 -4.80 119.74 111.58 2pa7 s LYS 41 Ca 0.59 -0.72 0.00 0.00 -1.00 0.00 0.00 55.97 54.84 2pa7 s LYS 41 Cb -0.13 0.46 0.00 0.00 -2.06 0.00 0.00 37.83 36.10 2pa7 s LYS 41 CO 0.44 -0.61 0.00 0.41 0.10 0.00 0.00 175.35 175.69 2pa7 n GLY 42 N -0.45 -1.83 0.96 0.59 0.00 -1.26 -4.73 105.19 98.46 2pa7 n GLY 42 Ca -0.06 -1.51 0.08 0.00 0.00 0.00 0.00 46.02 44.53 2pa7 n GLY 42 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2pa7 n GLU 43 N -2.26 3.06 -3.63 1.61 1.02 -1.26 -4.93 120.64 114.25 2pa7 n GLU 43 Ca -0.00 -2.47 -0.36 0.00 -0.02 0.00 0.00 57.16 54.31 2pa7 n GLU 43 Cb 0.00 -1.56 -0.08 0.00 -0.02 0.00 0.00 31.44 29.78 2pa7 n GLU 43 CO 0.00 0.00 0.00 -1.21 1.18 0.00 0.00 177.13 177.10 2pa7 s GLU 44 N -1.62 4.20 0.45 3.49 8.01 -1.26 -5.01 118.70 126.96 2pa7 s GLU 44 Ca 0.36 -0.09 -0.08 0.00 0.01 0.00 0.00 54.97 55.17 2pa7 s GLU 44 Cb 0.23 -3.44 0.11 0.00 -4.31 0.00 0.00 34.13 26.71 2pa7 s GLU 44 CO 0.17 0.23 0.53 -0.35 0.01 0.00 0.00 175.26 175.85 2pa7 n PRO 45 N 3.70 -1.06 -4.34 0.39 -0.04 -1.26 -5.03 135.00 127.36 2pa7 n PRO 45 Ca -0.14 -0.82 -0.17 0.00 -0.04 0.00 0.00 63.50 62.32 2pa7 n PRO 45 Cb 0.52 -0.62 -0.10 0.00 -0.04 0.00 0.00 33.50 33.25 2pa7 n PRO 45 CO 0.00 0.00 0.00 0.50 -0.04 0.00 0.00 175.50 175.96 2pa7 s ARG 46 N -4.17 1.34 3.91 0.54 3.52 -0.36 -5.01 118.95 118.72 2pa7 s ARG 46 Ca 0.31 -1.67 0.00 0.00 -0.13 0.00 0.00 55.73 54.25 2pa7 s ARG 46 Cb -0.02 -0.71 0.00 0.00 -1.56 0.00 0.00 34.95 32.67 2pa7 s ARG 46 CO 0.23 -0.05 0.00 0.41 -0.81 0.00 0.00 175.30 175.07 2pa7 n GLY 47 N -0.42 1.07 2.57 8.12 0.00 -1.26 -0.49 105.19 114.78 2pa7 n GLY 47 Ca -0.06 -0.89 -0.10 0.00 0.00 0.00 0.00 46.02 44.97 2pa7 n GLY 47 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 2pa7 n PHE 48 N 6.80 -1.47 -3.66 1.61 3.72 0.30 -4.96 117.46 119.80 2pa7 n PHE 48 Ca 0.00 0.57 -0.02 0.00 -0.05 0.00 0.00 57.45 57.95 2pa7 n PHE 48 Cb 0.00 -3.76 -0.01 0.00 -0.94 0.00 0.00 39.48 34.77 2pa7 n PHE 48 CO 0.00 0.00 0.00 -3.38 -0.05 0.00 0.00 176.76 173.33 2pa7 s HIS 49 N -3.24 -0.12 0.22 1.38 -3.43 -1.19 -4.68 115.29 104.24 2pa7 s HIS 49 Ca 0.13 -0.06 0.04 0.00 -0.80 0.00 0.00 55.06 54.38 2pa7 s HIS 49 Cb -0.02 0.58 -0.05 0.00 -1.43 0.00 0.00 32.58 31.66 2pa7 s HIS 49 CO 0.46 -0.52 -0.02 0.00 -2.00 0.00 0.00 174.74 172.67 2pa7 s ALA 50 N -2.85 1.80 0.15 -1.38 0.00 -0.16 -1.05 121.76 118.27 2pa7 s ALA 50 Ca 0.12 -1.74 0.11 0.00 0.00 0.00 0.00 51.96 50.44 2pa7 s ALA 50 Cb 0.01 0.42 -0.04 0.00 0.00 0.00 0.00 23.12 23.51 2pa7 s ALA 50 CO -0.02 -0.22 -0.25 -1.01 0.00 0.00 0.00 175.76 174.25 2pa7 s HIS 51 N -3.39 2.26 -0.06 0.00 3.76 -1.26 -0.34 115.29 116.27 2pa7 s HIS 51 Ca 0.27 -0.38 0.01 0.00 -0.15 0.00 0.00 55.06 54.82 2pa7 s HIS 51 Cb 0.05 -1.18 -0.25 0.00 1.11 0.00 0.00 32.58 32.30 2pa7 s HIS 51 CO 0.08 0.39 0.61 0.87 -0.85 0.00 0.00 174.74 175.84 2pa7 h LYS 52 N 3.62 0.17 0.00 1.40 1.57 -1.95 0.69 116.57 122.07 2pa7 h LYS 52 Ca -0.49 -0.28 0.00 0.00 -1.87 0.00 0.00 60.65 58.01 2pa7 h LYS 52 Cb 1.19 0.11 0.00 0.00 0.08 0.00 0.00 32.23 33.60 2pa7 h LYS 52 CO 0.43 0.93 -0.78 1.63 -0.57 0.00 0.00 179.45 181.09 2pa7 n LYS 53 N -3.32 3.05 -1.80 3.15 4.76 -1.26 -4.42 118.16 118.31 2pa7 n LYS 53 Ca -0.22 0.00 -0.41 0.00 -2.87 0.00 0.00 58.31 54.81 2pa7 n LYS 53 Cb 1.05 -0.89 -0.00 0.00 -1.84 0.00 0.00 35.03 33.35 2pa7 n LYS 53 CO 0.00 0.00 0.00 -1.17 -1.37 0.00 0.00 177.40 174.86 2pa7 s LEU 54 N -3.30 4.32 -0.00 -0.35 2.96 -1.26 -4.70 118.68 116.35 2pa7 s LEU 54 Ca 0.00 3.05 0.05 0.00 -0.22 0.00 0.00 54.13 57.01 2pa7 s LEU 54 Cb 0.00 -3.67 -0.03 0.00 0.50 0.00 0.00 46.19 42.99 2pa7 s LEU 54 CO 0.00 -0.87 -0.15 -1.61 -1.32 0.00 0.00 176.35 172.40 2pa7 s GLU 55 N -2.02 2.33 0.09 1.98 2.02 -1.26 -3.34 118.70 118.50 2pa7 s GLU 55 Ca 0.53 -0.82 -0.07 0.00 0.02 0.00 0.00 54.97 54.63 2pa7 s GLU 55 Cb -0.47 -2.32 -0.01 0.00 0.10 0.00 0.00 34.13 31.44 2pa7 s GLU 55 CO 0.62 0.58 0.16 -0.65 0.02 0.00 0.00 175.26 175.99 2pa7 s GLN 56 N -1.15 0.85 -0.10 1.61 -0.21 -0.35 -1.38 119.66 118.92 2pa7 s GLN 56 Ca 0.14 -1.06 -0.02 0.00 0.02 0.00 0.00 55.36 54.44 2pa7 s GLN 56 Cb -0.11 0.32 0.04 0.00 1.00 0.00 0.00 33.01 34.26 2pa7 s GLN 56 CO 0.04 -0.26 0.02 0.08 -2.12 0.00 0.00 175.29 173.05 2pa7 s VAL 57 N -3.90 0.34 -0.03 1.09 1.01 -0.35 -0.25 120.40 118.31 2pa7 s VAL 57 Ca 0.08 -0.02 -0.15 0.00 0.00 0.00 0.00 61.98 61.89 2pa7 s VAL 57 Cb 0.05 -0.62 -0.05 0.00 0.00 0.00 0.00 36.38 35.76 2pa7 s VAL 57 CO -0.09 0.12 0.40 -0.76 0.00 0.00 0.00 175.10 174.77 2pa7 s LEU 58 N 1.97 4.43 -0.03 3.92 1.02 -0.51 -0.74 118.68 128.74 2pa7 s LEU 58 Ca 0.04 0.90 -0.01 0.00 0.02 0.00 0.00 54.13 55.07 2pa7 s LEU 58 Cb -0.14 -2.57 0.03 0.00 0.02 0.00 0.00 46.19 43.54 2pa7 s LEU 58 CO -0.06 0.27 0.05 -0.69 0.02 0.00 0.00 176.35 175.94 2pa7 s VAL 59 N -0.74 -0.09 -0.63 -1.59 1.01 0.12 -1.20 120.40 117.27 2pa7 s VAL 59 Ca 0.23 0.32 -0.22 0.00 0.00 0.00 0.00 61.98 62.31 2pa7 s VAL 59 Cb -0.16 -0.13 0.07 0.00 0.00 0.00 0.00 36.38 36.16 2pa7 s VAL 59 CO 0.12 0.13 0.91 0.00 0.00 0.00 0.00 175.10 176.27 2pa7 h LEU 61 N 11.05 0.00 -7.08 0.00 3.38 -1.44 -3.05 115.31 118.17 2pa7 h LEU 61 Ca -0.28 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 57.62 2pa7 h LEU 61 Cb 1.07 0.00 -0.20 0.00 0.09 0.00 0.00 40.66 41.62 2pa7 h LEU 61 CO 1.15 0.06 0.08 0.21 0.09 0.00 0.00 178.44 180.03 2pa7 s ASN 62 N -6.06 -0.62 0.53 -0.43 2.47 -1.20 -4.72 114.94 104.91 2pa7 s ASN 62 Ca 0.04 0.88 0.00 0.00 0.42 0.00 0.00 52.86 54.20 2pa7 s ASN 62 Cb 0.07 0.82 0.00 0.00 -1.45 0.00 0.00 41.25 40.69 2pa7 s ASN 62 CO 0.63 -0.44 0.00 0.61 -3.72 0.00 0.00 177.10 174.18 2pa7 n GLY 63 N 1.66 1.24 3.52 1.21 0.00 -1.26 -1.72 105.19 109.84 2pa7 n GLY 63 Ca -0.17 -0.71 -0.10 0.00 0.00 0.00 0.00 46.02 45.04 2pa7 n GLY 63 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2pa7 s SER 64 N -4.00 -0.26 -0.01 1.61 1.04 -1.26 -4.41 113.70 106.42 2pa7 s SER 64 Ca 0.00 -0.49 -0.27 0.00 0.48 0.00 0.00 55.95 55.67 2pa7 s SER 64 Cb 0.00 0.58 0.06 0.00 0.10 0.00 0.00 66.02 66.76 2pa7 s SER 64 CO 0.00 -1.05 0.60 0.00 0.98 0.00 0.00 173.24 173.77 2pa7 s ARG 66 N -1.67 3.41 -0.07 0.00 3.52 0.11 -0.15 118.95 124.10 2pa7 s ARG 66 Ca -0.09 -0.62 0.02 0.00 -0.13 0.00 0.00 55.73 54.91 2pa7 s ARG 66 Cb -0.01 -2.99 -0.03 0.00 -1.56 0.00 0.00 34.95 30.37 2pa7 s ARG 66 CO 0.05 -0.14 -0.11 0.08 -0.81 0.00 0.00 175.30 174.37 2pa7 s VAL 67 N 1.33 3.34 -0.10 7.11 1.01 0.28 0.01 120.40 133.38 2pa7 s VAL 67 Ca 0.04 -0.61 0.04 0.00 0.00 0.00 0.00 61.98 61.45 2pa7 s VAL 67 Cb -0.14 -2.34 -0.00 0.00 0.00 0.00 0.00 36.38 33.89 2pa7 s VAL 67 CO -0.02 0.59 -0.24 -0.63 0.00 0.00 0.00 175.10 174.80 2pa7 s ILE 68 N -0.66 2.10 -0.05 2.22 1.01 -0.22 -1.09 121.20 124.51 2pa7 s ILE 68 Ca 0.10 -1.01 0.05 0.00 0.00 0.00 0.00 60.65 59.79 2pa7 s ILE 68 Cb -0.11 -1.80 -0.02 0.00 0.01 0.00 0.00 42.46 40.54 2pa7 s ILE 68 CO 0.01 0.56 -0.21 -0.76 0.00 0.00 0.00 174.94 174.54 2pa7 s LEU 69 N 0.33 2.33 -0.18 2.97 1.43 0.57 -1.09 118.68 125.03 2pa7 s LEU 69 Ca -0.18 -0.39 -0.02 0.00 -1.03 0.00 0.00 54.13 52.51 2pa7 s LEU 69 Cb -0.18 -1.44 0.06 0.00 0.03 0.00 0.00 46.19 44.65 2pa7 s LEU 69 CO 0.09 0.29 0.02 -0.62 0.23 0.00 0.00 176.35 176.35 2pa7 s ASP 70 N -0.39 2.87 -0.03 2.29 3.68 -0.22 -0.25 116.67 124.62 2pa7 s ASP 70 Ca 0.03 -0.78 0.16 0.00 2.13 0.00 0.00 52.55 54.10 2pa7 s ASP 70 Cb -0.12 -0.65 0.51 0.00 -1.45 0.00 0.00 42.92 41.21 2pa7 s ASP 70 CO 0.02 -0.28 1.41 -0.90 0.13 0.00 0.00 175.17 175.55 2pa7 n ASP 71 N 5.01 3.26 0.00 -0.34 3.85 -1.05 -0.83 116.55 126.46 2pa7 n ASP 71 Ca -0.09 -2.12 0.00 0.00 -0.71 0.00 0.00 54.79 51.86 2pa7 n ASP 71 Cb 0.47 -0.42 0.00 0.00 -1.35 0.00 0.00 41.12 39.82 2pa7 n ASP 71 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 2pa7 n GLY 72 N 1.22 1.76 0.82 6.12 0.00 -1.26 -4.79 105.19 109.05 2pa7 n GLY 72 Ca 0.19 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 46.17 2pa7 n GLY 72 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 2pa7 n ASN 73 N 0.00 0.90 -4.29 1.61 4.05 -1.26 -5.07 115.26 111.20 2pa7 n ASN 73 Ca 0.00 0.13 -0.20 0.00 0.45 0.00 0.00 54.58 54.96 2pa7 n ASN 73 Cb 0.00 -0.31 -0.11 0.00 1.23 0.00 0.00 39.78 40.58 2pa7 n ASN 73 CO 0.00 0.00 0.00 -0.51 -3.05 0.00 0.00 177.26 173.70 2pa7 s ILE 74 N -2.16 1.60 -0.15 -1.44 2.07 -1.26 -5.13 121.20 114.72 2pa7 s ILE 74 Ca -0.08 -1.78 -0.03 0.00 -1.41 0.00 0.00 60.65 57.36 2pa7 s ILE 74 Cb 0.02 -1.67 -0.02 0.00 0.13 0.00 0.00 42.46 40.92 2pa7 s ILE 74 CO 0.10 -0.32 -0.06 -0.63 -1.91 0.00 0.00 174.94 172.12 2pa7 s ILE 75 N -1.96 3.69 0.12 2.00 1.01 -1.26 -2.51 121.20 122.29 2pa7 s ILE 75 Ca 0.11 -0.43 0.11 0.00 0.00 0.00 0.00 60.65 60.44 2pa7 s ILE 75 Cb -0.06 -2.60 -0.04 0.00 0.01 0.00 0.00 42.46 39.77 2pa7 s ILE 75 CO 0.05 0.50 -0.27 -1.10 0.00 0.00 0.00 174.94 174.12 2pa7 s GLN 76 N 0.36 1.42 0.01 2.79 -0.21 0.66 -4.98 119.66 119.70 2pa7 s GLN 76 Ca -0.06 -1.31 0.02 0.00 0.02 0.00 0.00 55.36 54.03 2pa7 s GLN 76 Cb -0.15 -1.87 -0.01 0.00 1.00 0.00 0.00 33.01 31.98 2pa7 s GLN 76 CO 0.04 0.45 -0.07 -2.00 -2.12 0.00 0.00 175.29 171.58 2pa7 s GLU 77 N -1.97 0.53 -0.12 2.91 2.12 -1.26 -0.32 118.70 120.60 2pa7 s GLU 77 Ca 0.13 -0.40 -0.17 0.00 0.36 0.00 0.00 54.97 54.89 2pa7 s GLU 77 Cb -0.10 -0.46 0.04 0.00 0.26 0.00 0.00 34.13 33.87 2pa7 s GLU 77 CO 0.05 0.12 0.44 -1.50 -0.54 0.00 0.00 175.26 173.83 2pa7 s ILE 78 N -0.52 0.01 -0.32 -3.70 2.07 -0.25 -5.00 121.20 113.49 2pa7 s ILE 78 Ca -0.01 -0.11 -0.12 0.00 -1.41 0.00 0.00 60.65 58.99 2pa7 s ILE 78 Cb -0.05 -0.67 -0.03 0.00 0.13 0.00 0.00 42.46 41.85 2pa7 s ILE 78 CO 0.00 -0.06 0.23 -0.89 -1.91 0.00 0.00 174.94 172.31 2pa7 s THR 79 N -0.28 5.29 -0.23 4.00 2.01 -1.26 -0.55 115.64 124.62 2pa7 s THR 79 Ca -0.04 -0.10 -0.19 0.00 0.31 0.00 0.00 61.69 61.67 2pa7 s THR 79 Cb -0.03 -3.66 -0.03 0.00 0.01 0.00 0.00 72.50 68.79 2pa7 s THR 79 CO 0.02 0.07 0.55 -0.76 -0.69 0.00 0.00 174.62 173.81 2pa7 s LEU 80 N 1.74 4.09 0.00 4.42 1.43 0.79 -4.88 118.68 126.27 2pa7 s LEU 80 Ca 0.06 0.64 0.00 0.00 -1.03 0.00 0.00 54.13 53.80 2pa7 s LEU 80 Cb -0.17 -2.73 0.00 0.00 0.03 0.00 0.00 46.19 43.32 2pa7 s LEU 80 CO 0.11 -0.26 0.71 -0.90 0.23 0.00 0.00 176.35 176.23 2pa7 n ASP 81 N 5.26 0.00 -3.83 2.29 5.68 -1.26 -1.10 116.55 123.59 2pa7 n ASP 81 Ca -0.03 -1.42 -0.21 0.00 -0.50 0.00 0.00 54.79 52.63 2pa7 n ASP 81 Cb 0.50 -0.08 -0.17 0.00 -1.14 0.00 0.00 41.12 40.23 2pa7 n ASP 81 CO 0.00 0.00 0.00 -0.55 -1.33 0.00 0.00 177.20 175.32 2pa7 s SER 82 N -0.42 1.12 0.17 -1.12 0.15 -1.26 -4.87 113.70 107.47 2pa7 s SER 82 Ca 0.00 -0.09 0.16 0.00 0.70 0.00 0.00 55.95 56.72 2pa7 s SER 82 Cb 0.00 -0.40 0.75 0.00 -1.71 0.00 0.00 66.02 64.65 2pa7 s SER 82 CO 0.00 -0.12 1.49 -2.65 1.20 0.00 0.00 173.24 173.16 2pa7 n PRO 83 N 4.53 0.10 -0.06 5.44 -0.02 -1.15 -1.69 135.00 142.14 2pa7 n PRO 83 Ca -0.18 0.46 0.11 0.00 -2.02 0.00 0.00 63.50 61.88 2pa7 n PRO 83 Cb 0.50 -1.74 0.42 0.00 -0.02 0.00 0.00 33.50 32.66 2pa7 n PRO 83 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2pa7 n ALA 84 N -1.66 2.54 -3.37 3.55 0.00 -1.26 -4.80 120.51 115.51 2pa7 n ALA 84 Ca 0.01 -0.49 -0.34 0.00 0.00 0.00 0.00 53.44 52.62 2pa7 n ALA 84 Cb 0.11 -1.11 -0.14 0.00 0.00 0.00 0.00 19.45 18.30 2pa7 n ALA 84 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 2pa7 s VAL 85 N -1.84 3.02 0.10 0.00 1.01 -0.68 -0.71 120.40 121.29 2pa7 s VAL 85 Ca 0.33 -0.64 0.07 0.00 0.00 0.00 0.00 61.98 61.75 2pa7 s VAL 85 Cb 0.18 -2.31 -0.04 0.00 0.00 0.00 0.00 36.38 34.21 2pa7 s VAL 85 CO 0.28 0.49 -0.13 -0.83 0.00 0.00 0.00 175.10 174.91 2pa7 s GLY 86 N 0.88 1.74 -0.20 4.51 0.00 -0.20 -4.22 107.32 109.83 2pa7 s GLY 86 Ca -0.03 -1.26 0.01 0.00 0.00 0.00 0.00 44.72 43.45 2pa7 s GLY 86 CO -0.00 -1.22 -0.15 -2.27 0.00 0.00 0.00 173.10 169.46 2pa7 s LEU 87 N -2.06 2.47 -0.10 0.66 2.96 -0.34 0.26 118.68 122.52 2pa7 s LEU 87 Ca 0.19 -0.88 -0.28 0.00 -0.22 0.00 0.00 54.13 52.94 2pa7 s LEU 87 Cb -0.11 -1.41 -0.02 0.00 0.50 0.00 0.00 46.19 45.15 2pa7 s LEU 87 CO 0.11 -0.09 0.94 -0.47 -1.32 0.00 0.00 176.35 175.53 2pa7 s TYR 88 N 1.28 3.52 -0.35 5.38 5.04 0.19 -1.43 117.35 130.98 2pa7 s TYR 88 Ca -0.00 1.51 0.03 0.00 -2.44 0.00 0.00 57.07 56.17 2pa7 s TYR 88 Cb -0.16 -3.11 0.10 0.00 0.35 0.00 0.00 41.96 39.14 2pa7 s TYR 88 CO -0.10 -0.18 0.08 0.08 -1.34 0.00 0.00 175.55 174.10 2pa7 s VAL 89 N 1.82 2.47 0.94 3.14 1.01 0.65 -4.80 120.40 125.64 2pa7 s VAL 89 Ca 0.46 -2.30 -0.16 0.00 0.00 0.00 0.00 61.98 59.98 2pa7 s VAL 89 Cb -0.18 -2.80 0.22 0.00 0.00 0.00 0.00 36.38 33.62 2pa7 s VAL 89 CO 0.18 -0.62 1.26 0.61 0.00 0.00 0.00 175.10 176.53 2pa7 n GLY 90 N 4.30 -1.54 3.76 4.51 0.00 -1.26 -1.21 105.19 113.75 2pa7 n GLY 90 Ca 0.03 -1.70 -0.31 0.00 0.00 0.00 0.00 46.02 44.04 2pa7 n GLY 90 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 2pa7 s PRO 91 N -5.76 2.21 -1.53 1.61 0.02 -1.21 -3.18 135.00 127.15 2pa7 s PRO 91 Ca 0.72 1.23 0.00 0.00 0.02 0.00 0.00 61.00 62.96 2pa7 s PRO 91 Cb -0.02 -1.89 0.00 0.00 0.02 0.00 0.00 34.50 32.61 2pa7 s PRO 91 CO 0.51 -1.69 0.00 0.00 -0.33 0.00 0.00 177.00 175.49 2pa7 n ALA 92 N -3.46 -0.33 -4.10 -1.55 0.00 0.24 -4.96 120.51 106.35 2pa7 n ALA 92 Ca 0.09 0.20 -0.32 0.00 0.00 0.00 0.00 53.44 53.41 2pa7 n ALA 92 Cb 0.53 -1.71 -0.16 0.00 0.00 0.00 0.00 19.45 18.11 2pa7 n ALA 92 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 2pa7 s VAL 93 N -2.66 2.04 0.29 0.00 1.01 -1.19 -4.73 120.40 115.15 2pa7 s VAL 93 Ca 0.00 -1.10 -0.29 0.00 0.00 0.00 0.00 61.98 60.59 2pa7 s VAL 93 Cb 0.00 -1.93 -0.10 0.00 0.00 0.00 0.00 36.38 34.35 2pa7 s VAL 93 CO 0.00 0.38 1.14 0.86 0.00 0.00 0.00 175.10 177.48 2pa7 s TRP 94 N 1.26 3.48 0.05 5.22 -0.11 -0.01 -4.31 118.94 124.52 2pa7 s TRP 94 Ca 0.01 1.65 -0.07 0.00 1.22 0.00 0.00 56.10 58.91 2pa7 s TRP 94 Cb -0.15 -3.36 -0.01 0.00 -1.50 0.00 0.00 33.47 28.46 2pa7 s TRP 94 CO -0.11 -0.79 0.13 -3.38 -4.62 0.00 0.00 176.95 168.18 2pa7 s HIS 95 N -1.15 0.19 0.01 5.86 -3.43 -0.22 -1.06 115.29 115.49 2pa7 s HIS 95 Ca 0.45 -0.52 -0.05 0.00 -0.80 0.00 0.00 55.06 54.14 2pa7 s HIS 95 Cb -0.33 -0.12 -0.01 0.00 -1.43 0.00 0.00 32.58 30.69 2pa7 s HIS 95 CO 0.43 -0.42 0.08 -1.21 -2.00 0.00 0.00 174.74 171.62 2pa7 s GLU 96 N -3.00 0.46 -0.10 -0.38 2.02 -0.25 0.11 118.70 117.55 2pa7 s GLU 96 Ca -0.02 -0.54 0.01 0.00 0.02 0.00 0.00 54.97 54.45 2pa7 s GLU 96 Cb 0.01 0.18 0.02 0.00 0.10 0.00 0.00 34.13 34.44 2pa7 s GLU 96 CO -0.06 -0.10 -0.13 -1.64 0.02 0.00 0.00 175.26 173.34 2pa7 s MET 97 N -1.67 1.99 0.22 1.61 -1.94 0.36 -1.06 119.30 118.82 2pa7 s MET 97 Ca -0.13 -0.48 0.04 0.00 -1.71 0.00 0.00 55.69 53.41 2pa7 s MET 97 Cb -0.07 -1.74 -0.05 0.00 2.01 0.00 0.00 34.83 34.98 2pa7 s MET 97 CO -0.00 -0.09 -0.02 -1.01 -0.01 0.00 0.00 175.02 173.89 2pa7 s HIS 98 N 1.07 1.53 -1.28 -0.03 3.76 0.10 -1.22 115.29 119.22 2pa7 s HIS 98 Ca -0.06 -0.89 -0.09 0.00 -0.15 0.00 0.00 55.06 53.87 2pa7 s HIS 98 Cb -0.15 -0.87 -0.00 0.00 1.11 0.00 0.00 32.58 32.67 2pa7 s HIS 98 CO -0.02 -0.02 0.62 -0.25 -0.85 0.00 0.00 174.74 174.23 2pa7 n ASP 99 N -0.39 -2.54 -4.69 1.40 8.00 -1.26 0.09 116.55 117.15 2pa7 n ASP 99 Ca -0.06 -0.98 -0.42 0.00 0.71 0.00 0.00 54.79 54.04 2pa7 n ASP 99 Cb 0.63 -3.37 -0.03 0.00 -0.02 0.00 0.00 41.12 38.34 2pa7 n ASP 99 CO 0.00 0.00 0.00 -0.36 -0.39 0.00 0.00 177.20 176.45 2pa7 s PHE 100 N -3.70 3.05 0.74 1.24 0.40 -1.26 -4.13 117.98 114.33 2pa7 s PHE 100 Ca 0.20 1.03 -0.13 0.00 -0.60 0.00 0.00 56.93 57.42 2pa7 s PHE 100 Cb -0.07 -3.54 0.05 0.00 0.51 0.00 0.00 43.02 39.96 2pa7 s PHE 100 CO 0.86 -1.88 1.15 -1.54 0.70 0.00 0.00 175.22 174.51 2pa7 s SER 101 N 1.62 4.32 0.53 1.36 1.04 -0.50 -4.88 113.70 117.19 2pa7 s SER 101 Ca 0.60 2.13 0.20 0.00 0.48 0.00 0.00 55.95 59.37 2pa7 s SER 101 Cb -0.29 -2.56 1.38 0.00 0.10 0.00 0.00 66.02 64.65 2pa7 s SER 101 CO 0.25 -2.16 2.11 0.77 0.98 0.00 0.00 173.24 175.19 2pa7 h SER 102 N -0.58 0.00 -0.64 7.02 4.64 -1.92 -0.38 113.55 121.69 2pa7 h SER 102 Ca -0.46 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.86 2pa7 h SER 102 Cb 1.27 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.36 2pa7 h SER 102 CO 0.50 0.00 0.00 -0.90 -0.87 0.00 0.00 176.83 175.56 2pa7 n ASP 103 N -4.39 3.56 -4.76 4.97 3.85 -1.26 -4.42 116.55 114.10 2pa7 n ASP 103 Ca 0.01 -2.05 -0.38 0.00 -0.71 0.00 0.00 54.79 51.66 2pa7 n ASP 103 Cb 0.24 -0.45 0.02 0.00 -1.35 0.00 0.00 41.12 39.59 2pa7 n ASP 103 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.20 176.19 2pa7 s VAL 105 N -1.35 0.36 -0.18 0.00 1.01 -0.70 -4.23 120.40 115.31 2pa7 s VAL 105 Ca 0.67 -0.12 -0.02 0.00 0.00 0.00 0.00 61.98 62.51 2pa7 s VAL 105 Cb -0.38 -0.69 -0.00 0.00 0.00 0.00 0.00 36.38 35.31 2pa7 s VAL 105 CO 0.46 0.05 -0.11 -0.32 0.00 0.00 0.00 175.10 175.18 2pa7 s MET 106 N 1.96 3.29 -0.05 2.72 1.75 -0.42 -1.12 119.30 127.43 2pa7 s MET 106 Ca 0.03 -0.69 0.01 0.00 -1.25 0.00 0.00 55.69 53.78 2pa7 s MET 106 Cb -0.14 -2.79 -0.03 0.00 2.84 0.00 0.00 34.83 34.71 2pa7 s MET 106 CO -0.06 -0.07 -0.04 1.41 -0.65 0.00 0.00 175.02 175.60 2pa7 s MET 107 N 1.08 2.75 -0.07 4.11 0.00 0.59 -0.66 119.30 127.10 2pa7 s MET 107 Ca 0.00 -0.57 0.02 0.00 0.00 0.00 0.00 55.69 55.14 2pa7 s MET 107 Cb -0.15 -2.62 0.02 0.00 0.00 0.00 0.00 34.83 32.08 2pa7 s MET 107 CO -0.02 0.65 -0.11 0.08 0.00 0.00 0.00 175.02 175.62 2pa7 s VAL 108 N -0.91 1.06 -0.21 10.11 1.01 0.14 0.12 120.40 131.73 2pa7 s VAL 108 Ca 0.15 -0.42 -0.10 0.00 0.00 0.00 0.00 61.98 61.61 2pa7 s VAL 108 Cb -0.11 -0.99 -0.05 0.00 0.00 0.00 0.00 36.38 35.23 2pa7 s VAL 108 CO 0.04 0.34 0.13 -0.76 0.00 0.00 0.00 175.10 174.85 2pa7 s LEU 109 N 0.83 4.10 0.02 3.92 1.02 0.08 -1.32 118.68 127.32 2pa7 s LEU 109 Ca -0.12 0.16 0.07 0.00 0.02 0.00 0.00 54.13 54.26 2pa7 s LEU 109 Cb -0.15 -2.07 -0.02 0.00 0.02 0.00 0.00 46.19 43.97 2pa7 s LEU 109 CO 0.02 0.13 -0.20 0.00 0.02 0.00 0.00 176.35 176.32 2pa7 s ALA 110 N 0.63 1.72 -0.64 4.21 0.00 -0.11 -1.22 121.76 126.36 2pa7 s ALA 110 Ca 0.07 -0.97 0.22 0.00 0.00 0.00 0.00 51.96 51.28 2pa7 s ALA 110 Cb -0.12 -0.38 0.90 0.00 0.00 0.00 0.00 23.12 23.51 2pa7 s ALA 110 CO 0.01 0.40 1.68 -1.13 0.00 0.00 0.00 175.76 176.71 2pa7 n SER 111 N 2.19 0.52 -3.87 0.00 3.41 -0.48 -1.14 113.62 114.24 2pa7 n SER 111 Ca -0.16 0.61 -0.09 0.00 -0.26 0.00 0.00 58.87 58.97 2pa7 n SER 111 Cb 0.53 -0.73 -0.06 0.00 -0.26 0.00 0.00 64.21 63.70 2pa7 n SER 111 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 2pa7 s ASP 112 N -3.97 -0.09 0.83 4.04 -1.08 -1.26 -4.31 116.67 110.83 2pa7 s ASP 112 Ca 0.06 -0.71 -0.12 0.00 -0.52 0.00 0.00 52.55 51.26 2pa7 s ASP 112 Cb 0.10 0.50 0.10 0.00 -1.46 0.00 0.00 42.92 42.16 2pa7 s ASP 112 CO 0.39 -0.97 1.17 -0.31 0.52 0.00 0.00 175.17 175.97 2pa7 s TYR 113 N -3.93 1.87 0.35 -5.34 4.12 -1.26 -4.47 117.35 108.69 2pa7 s TYR 113 Ca 0.14 1.70 -0.27 0.00 0.02 0.00 0.00 57.07 58.65 2pa7 s TYR 113 Cb 0.01 -3.37 -0.12 0.00 -1.52 0.00 0.00 41.96 36.96 2pa7 s TYR 113 CO -0.01 -2.65 1.21 0.98 0.02 0.00 0.00 175.55 175.10 2pa7 n TYR 114 N -3.57 1.99 -3.30 2.71 9.36 -1.26 -4.96 117.16 118.12 2pa7 n TYR 114 Ca 0.12 0.57 -0.10 0.00 3.32 0.00 0.00 57.90 61.82 2pa7 n TYR 114 Cb 0.51 -2.36 -0.06 0.00 -0.63 0.00 0.00 39.34 36.80 2pa7 n TYR 114 CO 0.00 0.00 0.00 0.34 0.22 0.00 0.00 176.86 177.42 2pa7 s ASP 115 N -0.42 0.29 0.56 2.98 -1.08 -1.26 -5.02 116.67 112.72 2pa7 s ASP 115 Ca 0.57 -0.81 0.35 0.00 -0.52 0.00 0.00 52.55 52.14 2pa7 s ASP 115 Cb -0.58 1.09 1.49 0.00 -1.46 0.00 0.00 42.92 43.46 2pa7 s ASP 115 CO 0.61 -0.30 1.78 -0.33 0.52 0.00 0.00 175.17 177.45 2pa7 h GLU 116 N 7.64 0.00 0.00 4.34 5.08 -2.02 0.89 114.58 130.51 2pa7 h GLU 116 Ca -0.02 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.34 2pa7 h GLU 116 Cb 1.11 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.36 2pa7 h GLU 116 CO 0.22 0.00 0.00 0.25 -1.00 0.00 0.00 179.01 178.48 2pa7 n THR 117 N -4.02 0.56 0.02 1.13 -2.24 -1.26 -3.55 114.28 104.93 2pa7 n THR 117 Ca 0.22 -0.19 -0.10 0.00 -2.27 0.00 0.00 64.05 61.72 2pa7 n THR 117 Cb 1.18 -0.65 0.07 0.00 -2.10 0.00 0.00 70.33 68.83 2pa7 n THR 117 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 2pa7 n ASP 118 N -2.17 3.52 -4.45 3.42 2.03 0.31 -4.90 116.55 114.31 2pa7 n ASP 118 Ca 0.05 -2.68 -0.32 0.00 0.52 0.00 0.00 54.79 52.36 2pa7 n ASP 118 Cb 0.39 -0.67 -0.13 0.00 -0.72 0.00 0.00 41.12 39.99 2pa7 n ASP 118 CO 0.00 0.00 0.00 -0.31 -1.92 0.00 0.00 177.20 174.97 2pa7 s TYR 119 N -1.37 2.62 -0.36 -0.67 1.51 -1.23 -3.56 117.35 114.28 2pa7 s TYR 119 Ca 0.24 -0.22 0.01 0.00 -1.01 0.00 0.00 57.07 56.09 2pa7 s TYR 119 Cb 0.20 -1.57 0.10 0.00 -0.11 0.00 0.00 41.96 40.58 2pa7 s TYR 119 CO 0.04 0.18 0.10 0.42 -1.11 0.00 0.00 175.55 175.18 2pa7 s ILE 120 N -0.77 2.69 -2.58 2.71 1.01 0.54 -4.97 121.20 119.83 2pa7 s ILE 120 Ca 0.12 -2.17 0.24 0.00 0.00 0.00 0.00 60.65 58.84 2pa7 s ILE 120 Cb -0.10 -2.90 0.18 0.00 0.01 0.00 0.00 42.46 39.65 2pa7 s ILE 120 CO 0.02 -0.60 1.29 0.54 0.00 0.00 0.00 174.94 176.19 2pa7 n ARG 121 N 4.40 1.83 -4.02 2.79 1.74 -1.26 -0.99 116.66 121.16 2pa7 n ARG 121 Ca 0.00 -1.45 -0.35 0.00 -0.77 0.00 0.00 57.85 55.29 2pa7 n ARG 121 Cb 0.42 -1.47 -0.14 0.00 -1.02 0.00 0.00 32.46 30.25 2pa7 n ARG 121 CO 0.00 0.00 0.00 -0.65 -1.52 0.00 0.00 177.63 175.46 2pa7 s GLN 122 N -2.17 3.40 0.19 5.56 -0.21 -1.26 -4.84 119.66 120.33 2pa7 s GLN 122 Ca 0.26 -0.62 -0.13 0.00 0.02 0.00 0.00 55.36 54.90 2pa7 s GLN 122 Cb 0.20 -2.97 0.20 0.00 1.00 0.00 0.00 33.01 31.43 2pa7 s GLN 122 CO 0.40 -0.13 1.72 -0.92 -2.12 0.00 0.00 175.29 174.23 2pa7 h TYR 123 N 7.88 0.17 -0.88 0.91 3.20 -1.93 0.96 116.97 127.28 2pa7 h TYR 123 Ca -0.39 0.03 0.00 0.00 3.14 0.00 0.00 58.73 61.51 2pa7 h TYR 123 Cb 1.17 0.00 -0.04 0.00 1.54 0.00 0.00 36.73 39.40 2pa7 h TYR 123 CO 0.58 -0.01 0.57 -0.44 -1.64 0.00 0.00 178.16 177.22 2pa7 h ASP 124 N 0.24 1.03 -0.65 -2.11 3.32 -1.97 0.48 116.42 116.76 2pa7 h ASP 124 Ca 0.26 -0.04 -0.06 0.00 0.02 0.00 0.00 57.03 57.21 2pa7 h ASP 124 Cb 0.35 -0.26 -0.03 0.00 0.22 0.00 0.00 39.33 39.61 2pa7 h ASP 124 CO -0.33 0.77 0.17 0.78 -1.72 0.00 0.00 179.24 178.91 2pa7 h ASN 125 N 1.21 0.97 0.01 6.45 2.35 -1.73 1.25 115.58 126.09 2pa7 h ASN 125 Ca 0.32 -0.23 0.00 0.00 -0.55 0.00 0.00 56.30 55.85 2pa7 h ASN 125 Cb -0.10 -0.26 -0.00 0.00 0.05 0.00 0.00 38.32 38.01 2pa7 h ASN 125 CO -0.07 0.94 -0.02 0.15 -1.65 0.00 0.00 177.43 176.79 2pa7 h PHE 126 N 0.95 -0.05 -0.17 1.19 3.57 0.24 0.77 116.94 123.44 2pa7 h PHE 126 Ca 0.20 0.00 0.04 0.00 3.53 0.00 0.00 57.97 61.74 2pa7 h PHE 126 Cb 0.34 0.02 -0.04 0.00 2.79 0.00 0.00 35.95 39.06 2pa7 h PHE 126 CO 0.03 -0.03 -0.08 0.87 -2.23 0.00 0.00 178.31 176.87 2pa7 h LYS 127 N -0.04 -0.05 -0.74 1.11 1.79 0.46 0.73 116.57 119.83 2pa7 h LYS 127 Ca 0.00 0.00 0.05 0.00 -2.18 0.00 0.00 60.65 58.53 2pa7 h LYS 127 Cb 0.04 0.01 -0.05 0.00 -1.58 0.00 0.00 32.23 30.65 2pa7 h LYS 127 CO -0.01 -0.04 0.45 0.87 -1.08 0.00 0.00 179.45 179.64 2pa7 h LYS 128 N -0.06 0.81 -0.80 3.15 1.57 0.21 0.01 116.57 121.46 2pa7 h LYS 128 Ca 0.09 -0.05 0.02 0.00 -1.87 0.00 0.00 60.65 58.84 2pa7 h LYS 128 Cb 0.19 -0.18 -0.04 0.00 0.08 0.00 0.00 32.23 32.28 2pa7 h LYS 128 CO -0.21 0.54 0.52 -0.92 -0.57 0.00 0.00 179.45 178.81 2pa7 h TYR 129 N 0.84 0.99 -0.54 -1.35 3.20 0.17 -0.75 116.97 119.52 2pa7 h TYR 129 Ca 0.32 0.02 -0.04 0.00 3.14 0.00 0.00 58.73 62.17 2pa7 h TYR 129 Cb 0.13 -0.33 -0.02 0.00 1.54 0.00 0.00 36.73 38.04 2pa7 h TYR 129 CO -0.05 0.59 0.16 0.82 -1.64 0.00 0.00 178.16 178.05 2pa7 h ILE 130 N 1.04 1.24 -0.21 1.81 1.08 0.17 -2.25 117.51 120.38 2pa7 h ILE 130 Ca 0.31 -0.80 0.04 0.00 -0.39 0.00 0.00 64.86 64.02 2pa7 h ILE 130 Cb -0.06 0.74 -0.04 0.00 -3.07 0.00 0.00 36.82 34.40 2pa7 h ILE 130 CO -0.09 0.30 -0.03 0.00 -0.69 0.00 0.00 178.15 177.64 2pa7 h ALA 131 N 1.03 0.16 -0.44 1.87 0.00 -0.22 -1.77 119.26 119.89 2pa7 h ALA 131 Ca 0.17 0.07 0.04 0.00 0.00 0.00 0.00 54.91 55.19 2pa7 h ALA 131 Cb 0.29 0.13 -0.04 0.00 0.00 0.00 0.00 17.79 18.17 2pa7 h ALA 131 CO -0.00 -0.45 0.21 -0.22 0.00 0.00 0.00 179.25 178.78 2pa7 h LYS 132 N 0.03 0.41 -0.47 0.00 3.64 -1.02 -0.51 116.57 118.64 2pa7 h LYS 132 Ca 0.10 -0.02 0.03 0.00 -1.27 0.00 0.00 60.65 59.49 2pa7 h LYS 132 Cb 0.14 -0.09 -0.03 0.00 -0.41 0.00 0.00 32.23 31.85 2pa7 h LYS 132 CO -0.20 0.27 0.31 0.82 -2.27 0.00 0.00 179.45 178.39 2pa7 h ILE 133 N 0.42 1.05 0.22 2.00 2.04 -1.10 -1.82 117.51 120.32 2pa7 h ILE 133 Ca 0.19 -0.18 -0.01 0.00 1.00 0.00 0.00 64.86 65.86 2pa7 h ILE 133 Cb 0.11 0.47 0.00 0.00 -0.74 0.00 0.00 36.82 36.67 2pa7 h ILE 133 CO -0.15 0.10 -0.11 0.78 0.00 0.00 0.00 178.15 178.78 2pa7 h ASN 134 N 0.54 -0.25 -0.76 1.72 2.35 -0.25 -2.65 115.58 116.28 2pa7 h ASN 134 Ca 0.19 -0.13 0.17 0.00 -0.55 0.00 0.00 56.30 55.98 2pa7 h ASN 134 Cb 0.09 0.06 -0.12 0.00 0.05 0.00 0.00 38.32 38.41 2pa7 h ASN 134 CO -0.05 -0.02 0.13 -0.07 -1.65 0.00 0.00 177.43 175.78 2pa7 h LEU 135 N -0.48 -0.10 0.00 1.61 3.38 -0.47 -3.52 115.31 115.74 2pa7 h LEU 135 Ca -0.03 0.17 0.00 0.00 0.09 0.00 0.00 57.88 58.11 2pa7 h LEU 135 Cb 0.36 0.25 0.00 0.00 0.09 0.00 0.00 40.66 41.36 2pa7 h LEU 135 CO 0.05 -0.10 0.00 -0.62 0.09 0.00 0.00 178.44 177.86