#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 3.18 0.00 4.31 5.15 -1.26 -4.95 115.26 121.70 2pa7 n ASN 3 Ca 0.00 1.17 0.00 0.00 -0.60 0.00 0.00 54.58 55.15 2pa7 n ASN 3 Cb 0.00 -1.51 0.00 0.00 -0.53 0.00 0.00 39.78 37.74 2pa7 n ASN 3 CO 0.00 0.00 0.00 0.29 1.40 0.00 0.00 177.26 178.95 2pa7 n LYS 4 N 1.42 -0.36 -2.90 1.20 5.02 -1.26 -5.06 118.16 116.22 2pa7 n LYS 4 Ca 0.07 -0.27 -0.40 0.00 -2.02 0.00 0.00 58.31 55.69 2pa7 n LYS 4 Cb 0.35 -0.73 -0.05 0.00 -0.02 0.00 0.00 35.03 34.58 2pa7 n LYS 4 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 2pa7 s VAL 5 N -0.03 4.75 -0.18 -0.18 1.01 -1.26 -0.37 120.40 124.14 2pa7 s VAL 5 Ca 0.00 1.75 -0.01 0.00 0.00 0.00 0.00 61.98 63.72 2pa7 s VAL 5 Cb 0.00 -4.17 -0.00 0.00 0.00 0.00 0.00 36.38 32.21 2pa7 s VAL 5 CO 0.00 0.31 -0.12 -0.63 0.00 0.00 0.00 175.10 174.66 2pa7 s ILE 6 N 0.23 2.82 -0.39 2.22 1.01 0.60 -4.97 121.20 122.72 2pa7 s ILE 6 Ca 0.42 -0.70 -0.13 0.00 0.00 0.00 0.00 60.65 60.24 2pa7 s ILE 6 Cb -0.21 -2.23 0.03 0.00 0.01 0.00 0.00 42.46 40.06 2pa7 s ILE 6 CO 0.24 0.49 0.26 0.20 0.00 0.00 0.00 174.94 176.13 2pa7 s ASN 7 N 1.13 5.93 0.36 3.58 0.01 -1.26 -0.82 114.94 123.86 2pa7 s ASN 7 Ca 0.01 -0.96 -0.22 0.00 -0.71 0.00 0.00 52.86 50.98 2pa7 s ASN 7 Cb -0.14 -2.09 -0.10 0.00 0.41 0.00 0.00 41.25 39.32 2pa7 s ASN 7 CO -0.04 -0.42 0.90 -0.36 -1.51 0.00 0.00 177.10 175.67 2pa7 s PHE 8 N 1.61 3.49 0.30 2.20 0.40 0.83 -5.01 117.98 121.80 2pa7 s PHE 8 Ca 0.03 1.60 -0.29 0.00 -0.60 0.00 0.00 56.93 57.68 2pa7 s PHE 8 Cb -0.19 -2.81 -0.10 0.00 0.51 0.00 0.00 43.02 40.42 2pa7 s PHE 8 CO 0.08 0.08 1.32 0.21 0.70 0.00 0.00 175.22 177.62 2pa7 s LYS 9 N -2.62 4.35 -0.08 0.44 2.20 -1.26 -4.91 119.74 117.86 2pa7 s LYS 9 Ca 0.55 2.20 0.04 0.00 -0.36 0.00 0.00 55.97 58.40 2pa7 s LYS 9 Cb -0.13 -3.10 0.00 0.00 -1.51 0.00 0.00 37.83 33.09 2pa7 s LYS 9 CO 0.18 -0.22 -0.21 0.21 -0.36 0.00 0.00 175.35 174.95 2pa7 s LYS 10 N -1.34 2.60 -0.08 4.03 2.20 -1.26 -4.47 119.74 121.42 2pa7 s LYS 10 Ca 0.51 -0.77 -0.16 0.00 -0.36 0.00 0.00 55.97 55.19 2pa7 s LYS 10 Cb -0.39 -2.04 -0.05 0.00 -1.51 0.00 0.00 37.83 33.84 2pa7 s LYS 10 CO 0.49 0.19 0.42 0.42 -0.36 0.00 0.00 175.35 176.52 2pa7 s ILE 11 N 0.28 5.14 -0.01 5.43 -1.09 0.16 -4.92 121.20 126.20 2pa7 s ILE 11 Ca -0.14 0.85 0.04 0.00 -2.23 0.00 0.00 60.65 59.17 2pa7 s ILE 11 Cb -0.16 -3.75 -0.01 0.00 -1.58 0.00 0.00 42.46 36.96 2pa7 s ILE 11 CO 0.06 0.43 -0.13 -0.63 -1.23 0.00 0.00 174.94 173.45 2pa7 s ILE 12 N -0.05 1.03 0.21 2.92 1.01 -1.26 -0.75 121.20 124.31 2pa7 s ILE 12 Ca 0.24 -0.57 -0.04 0.00 0.00 0.00 0.00 60.65 60.27 2pa7 s ILE 12 Cb -0.15 -0.86 0.02 0.00 0.01 0.00 0.00 42.46 41.47 2pa7 s ILE 12 CO 0.10 0.28 0.36 -0.90 0.00 0.00 0.00 174.94 174.78 2pa7 n ASP 13 N 2.73 -1.01 0.27 3.58 5.68 -0.80 -5.01 116.55 121.98 2pa7 n ASP 13 Ca -0.14 -2.02 0.18 0.00 -0.50 0.00 0.00 54.79 52.31 2pa7 n ASP 13 Cb 0.55 1.78 0.91 0.00 -1.14 0.00 0.00 41.12 43.23 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 1.14 0.00 0.98 -1.12 4.64 -2.05 -2.60 113.55 114.54 2pa7 h SER 14 Ca -0.17 0.00 -0.08 0.00 -0.47 0.00 0.00 61.79 61.06 2pa7 h SER 14 Cb 0.70 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.77 2pa7 h SER 14 CO 0.23 0.00 -1.07 0.03 -0.87 0.00 0.00 176.83 175.15 2pa7 h ARG 15 N 0.00 0.00 0.00 4.77 3.08 -2.01 -3.51 114.38 116.71 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 0.13 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.18 2pa7 h ARG 15 CO 0.00 0.17 0.00 0.41 -1.07 0.00 0.00 179.97 179.48 2pa7 n GLY 16 N 1.27 0.33 3.33 0.04 0.00 -0.98 -5.13 105.19 104.06 2pa7 n GLY 16 Ca -0.04 -1.37 -0.23 0.00 0.00 0.00 0.00 46.02 44.38 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 2.76 -0.01 1.61 0.01 -1.26 -1.91 113.70 110.90 2pa7 s SER 17 Ca 0.00 -0.81 -0.01 0.00 1.31 0.00 0.00 55.95 56.45 2pa7 s SER 17 Cb 0.00 -0.17 0.00 0.00 0.21 0.00 0.00 66.02 66.07 2pa7 s SER 17 CO 0.00 0.02 0.02 -0.22 0.41 0.00 0.00 173.24 173.47 2pa7 s LEU 18 N -2.42 1.84 -0.03 2.44 0.20 0.08 -4.97 118.68 115.83 2pa7 s LEU 18 Ca 0.14 0.04 0.02 0.00 0.69 0.00 0.00 54.13 55.01 2pa7 s LEU 18 Cb -0.07 0.05 0.01 0.00 -0.43 0.00 0.00 46.19 45.74 2pa7 s LEU 18 CO 0.06 -0.02 -0.07 -0.69 -0.29 0.00 0.00 176.35 175.35 2pa7 s VAL 19 N 0.12 0.62 -0.16 1.68 1.01 -1.26 0.41 120.40 122.82 2pa7 s VAL 19 Ca -0.01 -0.26 0.01 0.00 0.00 0.00 0.00 61.98 61.72 2pa7 s VAL 19 Cb -0.01 -0.58 0.02 0.00 0.00 0.00 0.00 36.38 35.81 2pa7 s VAL 19 CO -0.00 0.21 -0.16 0.00 0.00 0.00 0.00 175.10 175.14 2pa7 s ALA 20 N 0.35 2.04 -0.21 5.51 0.00 -1.26 -5.07 121.76 123.12 2pa7 s ALA 20 Ca -0.05 -1.03 -0.08 0.00 0.00 0.00 0.00 51.96 50.80 2pa7 s ALA 20 Cb -0.09 -1.10 -0.04 0.00 0.00 0.00 0.00 23.12 21.88 2pa7 s ALA 20 CO 0.00 -0.37 0.09 0.42 0.00 0.00 0.00 175.76 175.90 2pa7 s ILE 21 N 1.41 4.85 -0.12 0.00 1.01 -1.26 -4.94 121.20 122.15 2pa7 s ILE 21 Ca 0.05 -0.00 0.03 0.00 0.00 0.00 0.00 60.65 60.72 2pa7 s ILE 21 Cb -0.13 -3.22 0.01 0.00 0.01 0.00 0.00 42.46 39.13 2pa7 s ILE 21 CO -0.12 0.41 -0.21 -1.61 0.00 0.00 0.00 174.94 173.41 2pa7 s GLU 22 N 0.76 2.89 0.18 2.79 2.02 -1.26 -5.01 118.70 121.06 2pa7 s GLU 22 Ca 0.05 -0.81 -0.33 0.00 0.02 0.00 0.00 54.97 53.89 2pa7 s GLU 22 Cb -0.13 -2.30 -0.14 0.00 0.10 0.00 0.00 34.13 31.66 2pa7 s GLU 22 CO 0.02 0.03 1.48 -0.85 0.02 0.00 0.00 175.26 175.96 2pa7 n GLU 23 N 3.94 1.99 -1.30 1.61 0.28 -1.26 -0.68 120.64 125.21 2pa7 n GLU 23 Ca -0.20 0.71 -0.10 0.00 -0.16 0.00 0.00 57.16 57.41 2pa7 n GLU 23 Cb 0.52 -2.42 -0.04 0.00 1.43 0.00 0.00 31.44 30.92 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 2.84 -5.53 0.02 -1.84 3.02 -0.53 -4.77 115.26 108.47 2pa7 n ASN 24 Ca 0.15 0.25 -0.00 0.00 -0.03 0.00 0.00 54.58 54.95 2pa7 n ASN 24 Cb 0.29 -3.93 -0.00 0.00 -0.61 0.00 0.00 39.78 35.52 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 -0.97 0.02 -0.20 3.52 5.02 0.14 -4.82 118.16 120.87 2pa7 n LYS 25 Ca -0.10 0.01 0.08 0.00 -2.02 0.00 0.00 58.31 56.27 2pa7 n LYS 25 Cb 0.55 -0.29 0.19 0.00 -0.02 0.00 0.00 35.03 35.46 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 -2.98 3.12 -4.01 4.39 0.23 -0.84 -4.88 115.26 110.28 2pa7 n ASN 26 Ca -0.01 -1.94 -0.12 0.00 -0.53 0.00 0.00 54.58 51.99 2pa7 n ASN 26 Cb 0.02 -0.27 -0.12 0.00 -2.08 0.00 0.00 39.78 37.34 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 -1.05 0.37 -0.71 1.53 -4.36 -1.24 -4.94 121.20 110.80 2pa7 s ILE 27 Ca 0.30 -0.85 0.02 0.00 -0.26 0.00 0.00 60.65 59.87 2pa7 s ILE 27 Cb 0.16 -0.44 0.16 0.00 1.25 0.00 0.00 42.46 43.60 2pa7 s ILE 27 CO 0.22 -0.32 0.83 -0.81 0.24 0.00 0.00 174.94 175.10 2pa7 n PRO 28 N 1.81 1.70 -3.98 0.37 -0.04 -1.26 -1.65 135.00 131.95 2pa7 n PRO 28 Ca -0.21 -0.64 -0.10 0.00 -0.04 0.00 0.00 63.50 62.51 2pa7 n PRO 28 Cb 0.56 -1.58 -0.04 0.00 -0.04 0.00 0.00 33.50 32.39 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 -1.24 0.39 0.06 0.54 -0.12 -1.26 -4.84 117.98 111.52 2pa7 s PHE 29 Ca 0.11 -0.78 -0.21 0.00 -0.05 0.00 0.00 56.93 56.00 2pa7 s PHE 29 Cb 0.09 0.27 -0.06 0.00 -0.63 0.00 0.00 43.02 42.68 2pa7 s PHE 29 CO 0.03 -1.10 0.63 -1.12 -0.05 0.00 0.00 175.22 173.61 2pa7 s SER 30 N -3.05 7.10 -0.13 1.98 0.01 -1.26 -1.45 113.70 116.90 2pa7 s SER 30 Ca 0.22 1.31 -0.24 0.00 1.31 0.00 0.00 55.95 58.55 2pa7 s SER 30 Cb -0.02 -2.40 -0.03 0.00 0.21 0.00 0.00 66.02 63.79 2pa7 s SER 30 CO 0.11 0.17 0.75 -0.63 0.41 0.00 0.00 173.24 174.05 2pa7 s ILE 31 N -0.66 4.97 -0.02 1.44 1.01 -1.26 -4.12 121.20 122.56 2pa7 s ILE 31 Ca 0.32 1.50 0.03 0.00 0.00 0.00 0.00 60.65 62.50 2pa7 s ILE 31 Cb -0.20 -4.07 -0.05 0.00 0.01 0.00 0.00 42.46 38.15 2pa7 s ILE 31 CO 0.20 0.13 0.08 0.29 0.00 0.00 0.00 174.94 175.64 2pa7 n LYS 32 N 4.60 0.66 -3.81 2.79 5.02 0.30 -4.99 118.16 122.73 2pa7 n LYS 32 Ca 0.01 -0.03 -0.12 0.00 -2.02 0.00 0.00 58.31 56.15 2pa7 n LYS 32 Cb 0.50 -1.04 -0.10 0.00 -0.02 0.00 0.00 35.03 34.36 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 -2.15 0.43 -0.18 1.97 3.52 -0.72 -4.76 118.95 117.06 2pa7 s ARG 33 Ca -0.01 -0.02 -0.01 0.00 -0.13 0.00 0.00 55.73 55.57 2pa7 s ARG 33 Cb 0.02 0.19 0.05 0.00 -1.56 0.00 0.00 34.95 33.65 2pa7 s ARG 33 CO 0.14 -0.09 -0.03 0.08 -0.81 0.00 0.00 175.30 174.59 2pa7 s VAL 34 N -0.67 1.00 0.29 7.11 1.01 -1.26 -0.28 120.40 127.60 2pa7 s VAL 34 Ca -0.08 -0.68 0.12 0.00 0.00 0.00 0.00 61.98 61.34 2pa7 s VAL 34 Cb -0.04 -1.28 -0.05 0.00 0.00 0.00 0.00 36.38 35.01 2pa7 s VAL 34 CO 0.02 0.01 -0.18 -0.72 0.00 0.00 0.00 175.10 174.22 2pa7 s TYR 35 N 1.66 2.32 -0.07 5.22 -0.85 -0.20 -4.97 117.35 120.47 2pa7 s TYR 35 Ca -0.01 -0.35 -0.16 0.00 -0.52 0.00 0.00 57.07 56.04 2pa7 s TYR 35 Cb -0.16 -1.05 0.03 0.00 0.38 0.00 0.00 41.96 41.17 2pa7 s TYR 35 CO -0.07 0.70 0.38 1.52 -1.52 0.00 0.00 175.55 176.55 2pa7 s TYR 36 N -2.51 -0.32 -0.12 -3.49 -0.85 -1.26 -0.02 117.35 108.79 2pa7 s TYR 36 Ca 0.30 0.63 0.00 0.00 -0.52 0.00 0.00 57.07 57.49 2pa7 s TYR 36 Cb -0.04 0.15 -0.02 0.00 0.38 0.00 0.00 41.96 42.43 2pa7 s TYR 36 CO 0.15 -0.35 -0.12 0.42 -1.52 0.00 0.00 175.55 174.13 2pa7 s ILE 37 N -0.77 3.15 0.30 -3.49 1.01 0.08 -4.98 121.20 116.51 2pa7 s ILE 37 Ca -0.09 -0.64 -0.14 0.00 0.00 0.00 0.00 60.65 59.79 2pa7 s ILE 37 Cb -0.04 -2.31 0.02 0.00 0.01 0.00 0.00 42.46 40.13 2pa7 s ILE 37 CO 0.03 0.54 0.60 0.72 0.00 0.00 0.00 174.94 176.83 2pa7 s PHE 38 N 0.13 0.28 -1.46 3.97 -0.12 -1.26 -1.11 117.98 118.41 2pa7 s PHE 38 Ca -0.06 -0.72 -0.08 0.00 -0.05 0.00 0.00 56.93 56.02 2pa7 s PHE 38 Cb -0.15 0.41 0.06 0.00 -0.63 0.00 0.00 43.02 42.71 2pa7 s PHE 38 CO 0.04 -1.20 0.82 -0.25 -0.05 0.00 0.00 175.22 174.59 2pa7 n ASP 39 N -0.78 -3.09 -4.77 1.98 8.00 -1.26 -4.93 116.55 111.70 2pa7 n ASP 39 Ca -0.03 -0.83 -0.34 0.00 0.71 0.00 0.00 54.79 54.30 2pa7 n ASP 39 Cb 0.61 -3.77 0.04 0.00 -0.02 0.00 0.00 41.12 37.97 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 -3.49 3.16 0.30 -3.53 -4.23 -1.26 -5.07 115.64 101.52 2pa7 s THR 40 Ca 0.39 0.60 -0.13 0.00 -1.18 0.00 0.00 61.69 61.37 2pa7 s THR 40 Cb -0.20 -3.14 0.01 0.00 1.34 0.00 0.00 72.50 70.51 2pa7 s THR 40 CO 0.84 -0.28 0.58 -1.59 -0.54 0.00 0.00 174.62 173.63 2pa7 s LYS 41 N -3.83 1.79 0.00 3.99 -2.85 -1.26 -4.89 119.74 112.70 2pa7 s LYS 41 Ca 0.69 -1.35 0.00 0.00 -1.00 0.00 0.00 55.97 54.32 2pa7 s LYS 41 Cb -0.22 0.52 0.00 0.00 -2.06 0.00 0.00 37.83 36.07 2pa7 s LYS 41 CO 0.37 -0.78 0.00 0.41 0.10 0.00 0.00 175.35 175.45 2pa7 n GLY 42 N -0.46 -1.69 0.50 0.59 0.00 -1.26 -4.66 105.19 98.21 2pa7 n GLY 42 Ca -0.03 -1.53 0.05 0.00 0.00 0.00 0.00 46.02 44.51 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 -2.11 2.88 -3.43 1.61 -0.58 -1.26 -4.98 120.64 112.77 2pa7 n GLU 43 Ca 0.00 -1.99 -0.37 0.00 -0.42 0.00 0.00 57.16 54.38 2pa7 n GLU 43 Cb 0.00 -1.25 -0.06 0.00 -0.57 0.00 0.00 31.44 29.56 2pa7 n GLU 43 CO 0.00 0.00 0.00 -1.21 -0.48 0.00 0.00 177.13 175.44 2pa7 s GLU 44 N -1.15 4.28 0.84 3.49 0.41 -1.26 -5.03 118.70 120.28 2pa7 s GLU 44 Ca 0.19 0.27 -0.13 0.00 -0.41 0.00 0.00 54.97 54.90 2pa7 s GLU 44 Cb 0.11 -3.42 0.19 0.00 -1.78 0.00 0.00 34.13 29.23 2pa7 s GLU 44 CO 0.12 0.22 1.14 -0.35 -0.49 0.00 0.00 175.26 175.89 2pa7 n PRO 45 N 3.56 -1.01 -3.55 0.39 -0.04 -1.26 -4.99 135.00 128.10 2pa7 n PRO 45 Ca -0.10 -1.89 -0.13 0.00 -0.04 0.00 0.00 63.50 61.34 2pa7 n PRO 45 Cb 0.52 -1.13 -0.05 0.00 -0.04 0.00 0.00 33.50 32.80 2pa7 n PRO 45 CO 0.00 0.00 0.00 2.89 -0.04 0.00 0.00 175.50 178.35 2pa7 n ARG 46 N -3.38 0.37 0.00 0.54 1.85 0.51 -4.97 116.66 111.57 2pa7 n ARG 46 Ca 0.15 -2.34 0.00 0.00 -1.00 0.00 0.00 57.85 54.66 2pa7 n ARG 46 Cb 0.51 2.01 0.00 0.00 -1.05 0.00 0.00 32.46 33.93 2pa7 n ARG 46 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 2pa7 n GLY 47 N -0.45 1.29 2.98 2.89 0.00 -1.26 0.12 105.19 110.75 2pa7 n GLY 47 Ca 0.04 -0.94 -0.16 0.00 0.00 0.00 0.00 46.02 44.96 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 3.73 -1.98 -3.61 1.61 3.72 0.33 -4.94 117.46 116.31 2pa7 n PHE 48 Ca 0.00 0.74 -0.10 0.00 -0.05 0.00 0.00 57.45 58.04 2pa7 n PHE 48 Cb 0.00 -4.13 -0.02 0.00 -0.94 0.00 0.00 39.48 34.39 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 -3.25 -0.35 0.23 1.38 -3.43 -1.20 -4.71 115.29 103.97 2pa7 s HIS 49 Ca 0.29 0.04 0.07 0.00 -0.80 0.00 0.00 55.06 54.65 2pa7 s HIS 49 Cb -0.13 0.56 -0.05 0.00 -1.43 0.00 0.00 32.58 31.53 2pa7 s HIS 49 CO 0.55 -0.97 -0.11 0.00 -2.00 0.00 0.00 174.74 172.21 2pa7 s ALA 50 N -3.82 2.12 0.24 -1.38 0.00 -0.84 -1.38 121.76 116.71 2pa7 s ALA 50 Ca 0.06 -1.75 0.11 0.00 0.00 0.00 0.00 51.96 50.38 2pa7 s ALA 50 Cb -0.02 0.03 -0.05 0.00 0.00 0.00 0.00 23.12 23.08 2pa7 s ALA 50 CO -0.05 0.01 -0.18 -1.01 0.00 0.00 0.00 175.76 174.52 2pa7 s HIS 51 N -3.00 2.36 -0.19 0.00 3.76 -1.26 -0.89 115.29 116.07 2pa7 s HIS 51 Ca 0.25 -0.32 0.02 0.00 -0.15 0.00 0.00 55.06 54.86 2pa7 s HIS 51 Cb 0.01 -1.08 -0.21 0.00 1.11 0.00 0.00 32.58 32.41 2pa7 s HIS 51 CO 0.09 0.62 0.05 1.63 -0.85 0.00 0.00 174.74 176.28 2pa7 n LYS 52 N -0.32 0.69 -0.06 1.40 5.02 -1.21 0.84 118.16 124.53 2pa7 n LYS 52 Ca -0.08 0.18 -0.07 0.00 -2.02 0.00 0.00 58.31 56.32 2pa7 n LYS 52 Cb 0.58 -1.60 -0.07 0.00 -0.02 0.00 0.00 35.03 33.92 2pa7 n LYS 52 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 2pa7 n LYS 53 N -3.26 1.36 -2.08 1.97 5.02 -1.26 -4.46 118.16 115.45 2pa7 n LYS 53 Ca -0.38 0.03 -0.41 0.00 -2.02 0.00 0.00 58.31 55.53 2pa7 n LYS 53 Cb 1.03 -1.27 -0.02 0.00 -0.02 0.00 0.00 35.03 34.75 2pa7 n LYS 53 CO 0.00 0.00 0.00 -1.17 -0.52 0.00 0.00 177.40 175.71 2pa7 s LEU 54 N -5.26 4.41 0.03 -0.35 2.96 -1.26 -4.79 118.68 114.43 2pa7 s LEU 54 Ca -0.11 2.70 0.07 0.00 -0.22 0.00 0.00 54.13 56.57 2pa7 s LEU 54 Cb 0.04 -3.65 -0.03 0.00 0.50 0.00 0.00 46.19 43.05 2pa7 s LEU 54 CO 0.38 -0.58 -0.19 -1.61 -1.32 0.00 0.00 176.35 173.02 2pa7 s GLU 55 N -1.56 2.07 0.08 1.98 2.02 -1.26 -3.33 118.70 118.71 2pa7 s GLU 55 Ca 0.51 -0.97 -0.07 0.00 0.02 0.00 0.00 54.97 54.46 2pa7 s GLU 55 Cb -0.40 -2.17 -0.01 0.00 0.10 0.00 0.00 34.13 31.64 2pa7 s GLU 55 CO 0.52 0.54 0.13 -0.65 0.02 0.00 0.00 175.26 175.82 2pa7 s GLN 56 N -1.32 0.78 -0.12 1.61 -0.21 -0.17 -1.53 119.66 118.71 2pa7 s GLN 56 Ca 0.14 -1.03 -0.00 0.00 0.02 0.00 0.00 55.36 54.48 2pa7 s GLN 56 Cb -0.10 0.31 0.03 0.00 1.00 0.00 0.00 33.01 34.24 2pa7 s GLN 56 CO 0.04 -0.23 -0.08 0.08 -2.12 0.00 0.00 175.29 172.99 2pa7 s VAL 57 N -3.88 1.10 -0.10 1.09 1.01 -0.24 0.32 120.40 119.70 2pa7 s VAL 57 Ca 0.06 -0.38 -0.11 0.00 0.00 0.00 0.00 61.98 61.55 2pa7 s VAL 57 Cb 0.06 -1.13 -0.05 0.00 0.00 0.00 0.00 36.38 35.26 2pa7 s VAL 57 CO -0.11 0.34 0.25 -0.76 0.00 0.00 0.00 175.10 174.82 2pa7 s LEU 58 N 1.67 4.37 -0.05 3.92 1.43 0.02 -1.11 118.68 128.93 2pa7 s LEU 58 Ca 0.04 0.60 -0.01 0.00 -1.03 0.00 0.00 54.13 53.73 2pa7 s LEU 58 Cb -0.13 -2.28 0.03 0.00 0.03 0.00 0.00 46.19 43.84 2pa7 s LEU 58 CO -0.08 0.30 0.02 -0.69 0.23 0.00 0.00 176.35 176.12 2pa7 s VAL 59 N -0.61 0.17 -0.60 -1.59 1.01 0.75 -0.14 120.40 119.39 2pa7 s VAL 59 Ca 0.17 0.20 -0.21 0.00 0.00 0.00 0.00 61.98 62.15 2pa7 s VAL 59 Cb -0.13 -0.33 0.08 0.00 0.00 0.00 0.00 36.38 35.99 2pa7 s VAL 59 CO 0.06 0.20 0.80 0.00 0.00 0.00 0.00 175.10 176.16 2pa7 h LEU 61 N 10.49 0.00 -7.02 0.00 3.38 -1.42 -3.09 115.31 117.65 2pa7 h LEU 61 Ca -0.29 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 57.63 2pa7 h LEU 61 Cb 1.08 0.00 -0.20 0.00 0.09 0.00 0.00 40.66 41.63 2pa7 h LEU 61 CO 1.11 0.00 0.15 0.21 0.09 0.00 0.00 178.44 179.99 2pa7 s ASN 62 N -5.35 -0.67 0.49 -0.43 2.47 -1.21 -4.73 114.94 105.51 2pa7 s ASN 62 Ca 0.07 0.95 0.00 0.00 0.42 0.00 0.00 52.86 54.30 2pa7 s ASN 62 Cb 0.08 0.86 0.00 0.00 -1.45 0.00 0.00 41.25 40.75 2pa7 s ASN 62 CO 0.59 -0.47 0.00 0.61 -3.72 0.00 0.00 177.10 174.11 2pa7 n GLY 63 N 1.58 1.46 3.67 1.21 0.00 -1.26 -1.15 105.19 110.70 2pa7 n GLY 63 Ca -0.17 -0.68 -0.09 0.00 0.00 0.00 0.00 46.02 45.08 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 -0.31 -0.03 1.61 1.04 -1.26 -4.47 113.70 106.28 2pa7 s SER 64 Ca 0.00 -0.47 -0.29 0.00 0.48 0.00 0.00 55.95 55.67 2pa7 s SER 64 Cb 0.00 0.66 0.09 0.00 0.10 0.00 0.00 66.02 66.87 2pa7 s SER 64 CO 0.00 -1.18 0.81 0.00 0.98 0.00 0.00 173.24 173.85 2pa7 s ARG 66 N -2.23 3.34 -0.12 0.00 3.52 0.72 -0.17 118.95 124.01 2pa7 s ARG 66 Ca -0.02 -0.68 -0.05 0.00 -0.13 0.00 0.00 55.73 54.86 2pa7 s ARG 66 Cb -0.01 -3.25 -0.04 0.00 -1.56 0.00 0.00 34.95 30.10 2pa7 s ARG 66 CO -0.02 -0.30 0.05 0.08 -0.81 0.00 0.00 175.30 174.30 2pa7 s VAL 67 N 1.53 4.71 -0.18 7.11 1.01 0.08 0.17 120.40 134.83 2pa7 s VAL 67 Ca 0.05 -0.09 -0.01 0.00 0.00 0.00 0.00 61.98 61.93 2pa7 s VAL 67 Cb -0.16 -3.04 0.00 0.00 0.00 0.00 0.00 36.38 33.19 2pa7 s VAL 67 CO 0.01 0.57 -0.14 -0.63 0.00 0.00 0.00 175.10 174.92 2pa7 s ILE 68 N -0.56 2.70 -0.06 2.22 1.01 -0.09 -0.42 121.20 125.99 2pa7 s ILE 68 Ca 0.10 -0.74 0.05 0.00 0.00 0.00 0.00 60.65 60.07 2pa7 s ILE 68 Cb -0.12 -2.17 -0.01 0.00 0.01 0.00 0.00 42.46 40.17 2pa7 s ILE 68 CO 0.02 0.50 -0.22 -0.76 0.00 0.00 0.00 174.94 174.48 2pa7 s LEU 69 N 1.10 2.27 -0.18 2.97 1.43 0.00 -0.97 118.68 125.31 2pa7 s LEU 69 Ca 0.00 -0.43 -0.02 0.00 -1.03 0.00 0.00 54.13 52.66 2pa7 s LEU 69 Cb -0.14 -1.43 0.05 0.00 0.03 0.00 0.00 46.19 44.69 2pa7 s LEU 69 CO -0.04 0.26 0.01 -0.62 0.23 0.00 0.00 176.35 176.18 2pa7 s ASP 70 N -0.23 2.85 0.00 2.29 3.68 0.11 -0.71 116.67 124.66 2pa7 s ASP 70 Ca -0.01 -0.75 0.19 0.00 2.13 0.00 0.00 52.55 54.11 2pa7 s ASP 70 Cb -0.13 -0.70 0.52 0.00 -1.45 0.00 0.00 42.92 41.16 2pa7 s ASP 70 CO 0.03 -0.26 1.44 -0.90 0.13 0.00 0.00 175.17 175.60 2pa7 n ASP 71 N 4.99 3.07 0.00 -0.34 3.85 -0.84 -0.81 116.55 126.47 2pa7 n ASP 71 Ca -0.10 -1.98 0.00 0.00 -0.71 0.00 0.00 54.79 52.01 2pa7 n ASP 71 Cb 0.47 -0.35 0.00 0.00 -1.35 0.00 0.00 41.12 39.89 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 1.42 2.30 0.28 6.12 0.00 -1.26 -4.72 105.19 109.33 2pa7 n GLY 72 Ca 0.19 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 46.08 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 2.02 -3.77 1.61 4.05 -1.26 -5.06 115.26 112.85 2pa7 n ASN 73 Ca 0.00 0.05 -0.12 0.00 0.45 0.00 0.00 54.58 54.96 2pa7 n ASN 73 Cb 0.00 -0.35 -0.08 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 -2.30 0.08 -0.14 -1.44 2.07 -1.26 -5.14 121.20 113.07 2pa7 s ILE 74 Ca -0.21 -0.62 -0.05 0.00 -1.41 0.00 0.00 60.65 58.36 2pa7 s ILE 74 Cb 0.07 -0.78 -0.03 0.00 0.13 0.00 0.00 42.46 41.84 2pa7 s ILE 74 CO 0.32 -0.34 0.02 -0.63 -1.91 0.00 0.00 174.94 172.40 2pa7 s ILE 75 N -2.00 4.47 -0.04 2.00 1.01 -1.26 -1.98 121.20 123.40 2pa7 s ILE 75 Ca -0.09 -0.17 0.03 0.00 0.00 0.00 0.00 60.65 60.42 2pa7 s ILE 75 Cb -0.03 -2.95 0.00 0.00 0.01 0.00 0.00 42.46 39.49 2pa7 s ILE 75 CO -0.00 0.53 -0.13 -1.10 0.00 0.00 0.00 174.94 174.24 2pa7 s GLN 76 N -0.17 1.45 -0.17 2.79 -0.21 0.12 -4.99 119.66 118.48 2pa7 s GLN 76 Ca 0.06 -0.43 -0.01 0.00 0.02 0.00 0.00 55.36 55.00 2pa7 s GLN 76 Cb -0.12 -1.27 -0.00 0.00 1.00 0.00 0.00 33.01 32.62 2pa7 s GLN 76 CO 0.02 0.12 -0.13 -2.00 -2.12 0.00 0.00 175.29 171.18 2pa7 s GLU 77 N 0.31 3.26 -0.03 2.91 2.12 -1.26 -0.82 118.70 125.19 2pa7 s GLU 77 Ca -0.07 -0.72 0.01 0.00 0.36 0.00 0.00 54.97 54.55 2pa7 s GLU 77 Cb -0.12 -2.71 0.02 0.00 0.26 0.00 0.00 34.13 31.58 2pa7 s GLU 77 CO 0.02 -0.03 -0.03 0.42 -0.54 0.00 0.00 175.26 175.11 2pa7 s ILE 78 N 0.95 0.37 -0.13 -3.70 1.01 0.44 -5.00 121.20 115.14 2pa7 s ILE 78 Ca -0.02 -0.06 -0.19 0.00 0.00 0.00 0.00 60.65 60.38 2pa7 s ILE 78 Cb -0.15 -0.41 -0.04 0.00 0.01 0.00 0.00 42.46 41.87 2pa7 s ILE 78 CO -0.01 0.17 0.52 -0.89 0.00 0.00 0.00 174.94 174.73 2pa7 s THR 79 N 0.78 5.15 -0.24 2.92 2.01 -1.26 -0.74 115.64 124.26 2pa7 s THR 79 Ca -0.09 1.03 -0.07 0.00 0.31 0.00 0.00 61.69 62.87 2pa7 s THR 79 Cb -0.12 -3.86 -0.03 0.00 0.01 0.00 0.00 72.50 68.50 2pa7 s THR 79 CO -0.01 0.28 0.07 -0.76 -0.69 0.00 0.00 174.62 173.51 2pa7 s LEU 80 N 0.91 3.50 0.00 4.42 1.43 0.77 -4.91 118.68 124.79 2pa7 s LEU 80 Ca 0.27 -0.16 0.03 0.00 -1.03 0.00 0.00 54.13 53.24 2pa7 s LEU 80 Cb -0.16 -1.93 0.05 0.00 0.03 0.00 0.00 46.19 44.18 2pa7 s LEU 80 CO 0.11 -0.01 0.88 -0.90 0.23 0.00 0.00 176.35 176.67 2pa7 n ASP 81 N 4.73 0.06 -3.74 2.29 5.68 -1.26 -1.83 116.55 122.48 2pa7 n ASP 81 Ca -0.16 -1.72 -0.18 0.00 -0.50 0.00 0.00 54.79 52.23 2pa7 n ASP 81 Cb 0.52 -0.12 -0.17 0.00 -1.14 0.00 0.00 41.12 40.20 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 -0.84 0.68 0.13 -1.12 0.15 -1.26 -4.89 113.70 106.54 2pa7 s SER 82 Ca 0.04 0.03 0.13 0.00 0.70 0.00 0.00 55.95 56.85 2pa7 s SER 82 Cb 0.05 -0.16 0.61 0.00 -1.71 0.00 0.00 66.02 64.81 2pa7 s SER 82 CO -0.02 -0.18 1.39 -2.65 1.20 0.00 0.00 173.24 172.98 2pa7 n PRO 83 N 4.69 0.07 -0.02 5.44 -0.02 -1.17 -1.71 135.00 142.28 2pa7 n PRO 83 Ca -0.16 0.48 0.13 0.00 -2.02 0.00 0.00 63.50 61.93 2pa7 n PRO 83 Cb 0.50 -1.69 0.53 0.00 -0.02 0.00 0.00 33.50 32.82 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 -1.62 2.57 -3.03 3.55 0.00 -1.26 -4.82 120.51 115.90 2pa7 n ALA 84 Ca 0.01 -0.43 -0.33 0.00 0.00 0.00 0.00 53.44 52.69 2pa7 n ALA 84 Cb 0.08 -1.18 -0.15 0.00 0.00 0.00 0.00 19.45 18.20 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 -1.95 2.85 0.13 0.00 1.01 -0.70 -0.12 120.40 121.63 2pa7 s VAL 85 Ca 0.37 -0.74 0.09 0.00 0.00 0.00 0.00 61.98 61.70 2pa7 s VAL 85 Cb 0.20 -2.17 -0.04 0.00 0.00 0.00 0.00 36.38 34.37 2pa7 s VAL 85 CO 0.32 0.54 -0.15 -0.83 0.00 0.00 0.00 175.10 174.97 2pa7 s GLY 86 N 0.22 1.72 -0.21 4.51 0.00 0.00 -4.34 107.32 109.22 2pa7 s GLY 86 Ca -0.10 -1.38 0.02 0.00 0.00 0.00 0.00 44.72 43.26 2pa7 s GLY 86 CO 0.06 -1.37 -0.17 -2.27 0.00 0.00 0.00 173.10 169.35 2pa7 s LEU 87 N -2.33 2.63 -0.11 0.66 2.96 0.80 -0.29 118.68 122.99 2pa7 s LEU 87 Ca 0.20 -0.94 -0.30 0.00 -0.22 0.00 0.00 54.13 52.88 2pa7 s LEU 87 Cb -0.10 -1.50 -0.01 0.00 0.50 0.00 0.00 46.19 45.07 2pa7 s LEU 87 CO 0.12 -0.07 1.02 -0.47 -1.32 0.00 0.00 176.35 175.63 2pa7 s TYR 88 N 1.22 3.47 -0.49 5.38 5.04 0.50 -0.80 117.35 131.67 2pa7 s TYR 88 Ca -0.00 1.55 0.01 0.00 -2.44 0.00 0.00 57.07 56.19 2pa7 s TYR 88 Cb -0.16 -3.21 0.13 0.00 0.35 0.00 0.00 41.96 39.07 2pa7 s TYR 88 CO -0.10 -0.33 0.25 0.08 -1.34 0.00 0.00 175.55 174.11 2pa7 s VAL 89 N 2.15 2.94 1.13 3.14 1.01 0.15 -4.84 120.40 126.08 2pa7 s VAL 89 Ca 0.48 -2.79 -0.19 0.00 0.00 0.00 0.00 61.98 59.48 2pa7 s VAL 89 Cb -0.18 -3.02 0.28 0.00 0.00 0.00 0.00 36.38 33.45 2pa7 s VAL 89 CO 0.17 -0.76 1.13 0.61 0.00 0.00 0.00 175.10 176.25 2pa7 n GLY 90 N 3.72 -2.42 3.76 4.51 0.00 -1.26 -0.99 105.19 112.50 2pa7 n GLY 90 Ca 0.04 -1.55 -0.36 0.00 0.00 0.00 0.00 46.02 44.15 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 -5.53 3.26 -0.99 1.61 0.02 -1.21 -2.97 135.00 129.19 2pa7 s PRO 91 Ca 0.70 1.81 -0.03 0.00 0.02 0.00 0.00 61.00 63.50 2pa7 s PRO 91 Cb -0.05 -2.09 0.00 0.00 0.02 0.00 0.00 34.50 32.38 2pa7 s PRO 91 CO 0.53 -0.97 0.34 0.00 -0.33 0.00 0.00 177.00 176.56 2pa7 n ALA 92 N -1.21 -0.58 -3.88 -1.55 0.00 0.25 -4.96 120.51 108.57 2pa7 n ALA 92 Ca 0.11 0.17 -0.27 0.00 0.00 0.00 0.00 53.44 53.46 2pa7 n ALA 92 Cb 0.49 -2.52 -0.17 0.00 0.00 0.00 0.00 19.45 17.25 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 -2.90 0.94 0.25 0.00 1.01 -1.16 -4.71 120.40 113.83 2pa7 s VAL 93 Ca 0.17 -0.31 -0.30 0.00 0.00 0.00 0.00 61.98 61.54 2pa7 s VAL 93 Cb -0.07 -1.03 -0.09 0.00 0.00 0.00 0.00 36.38 35.19 2pa7 s VAL 93 CO 0.21 0.29 1.04 0.86 0.00 0.00 0.00 175.10 177.49 2pa7 s TRP 94 N 1.73 3.74 0.03 5.22 -0.11 0.00 -4.30 118.94 125.26 2pa7 s TRP 94 Ca 0.04 1.77 0.01 0.00 1.22 0.00 0.00 56.10 59.14 2pa7 s TRP 94 Cb -0.13 -3.17 -0.02 0.00 -1.50 0.00 0.00 33.47 28.65 2pa7 s TRP 94 CO -0.08 -0.16 -0.05 -3.38 -4.62 0.00 0.00 176.95 168.66 2pa7 s HIS 95 N -1.04 0.44 -0.00 5.86 -3.43 -0.48 -0.71 115.29 115.93 2pa7 s HIS 95 Ca 0.44 -0.59 -0.03 0.00 -0.80 0.00 0.00 55.06 54.07 2pa7 s HIS 95 Cb -0.29 -0.29 -0.00 0.00 -1.43 0.00 0.00 32.58 30.56 2pa7 s HIS 95 CO 0.37 -0.17 0.06 -1.21 -2.00 0.00 0.00 174.74 171.78 2pa7 s GLU 96 N -1.86 0.31 -0.09 -0.38 2.02 -0.15 0.12 118.70 118.67 2pa7 s GLU 96 Ca -0.11 -0.32 0.02 0.00 0.02 0.00 0.00 54.97 54.58 2pa7 s GLU 96 Cb -0.07 0.12 0.01 0.00 0.10 0.00 0.00 34.13 34.29 2pa7 s GLU 96 CO -0.02 -0.06 -0.15 -1.64 0.02 0.00 0.00 175.26 173.42 2pa7 s MET 97 N -0.98 2.07 0.26 1.61 -1.94 0.12 -0.91 119.30 119.52 2pa7 s MET 97 Ca -0.11 -0.52 0.02 0.00 -1.71 0.00 0.00 55.69 53.37 2pa7 s MET 97 Cb -0.06 -1.74 -0.05 0.00 2.01 0.00 0.00 34.83 34.98 2pa7 s MET 97 CO 0.00 -0.02 0.06 -1.01 -0.01 0.00 0.00 175.02 174.04 2pa7 s HIS 98 N 0.86 1.57 -1.21 -0.03 3.76 0.13 -0.37 115.29 120.01 2pa7 s HIS 98 Ca -0.10 -1.09 -0.14 0.00 -0.15 0.00 0.00 55.06 53.58 2pa7 s HIS 98 Cb -0.15 -0.94 -0.01 0.00 1.11 0.00 0.00 32.58 32.59 2pa7 s HIS 98 CO 0.01 -0.22 0.71 -0.25 -0.85 0.00 0.00 174.74 174.13 2pa7 n ASP 99 N -0.47 -3.86 -4.72 1.40 8.00 -1.26 -0.20 116.55 115.44 2pa7 n ASP 99 Ca -0.02 -0.99 -0.42 0.00 0.71 0.00 0.00 54.79 54.08 2pa7 n ASP 99 Cb 0.66 -3.41 -0.03 0.00 -0.02 0.00 0.00 41.12 38.31 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 -3.59 3.57 0.70 1.24 0.40 -1.26 -4.06 117.98 114.98 2pa7 s PHE 100 Ca 0.33 1.53 -0.15 0.00 -0.60 0.00 0.00 56.93 58.04 2pa7 s PHE 100 Cb -0.12 -3.27 0.02 0.00 0.51 0.00 0.00 43.02 40.17 2pa7 s PHE 100 CO 0.86 -0.64 1.15 -1.54 0.70 0.00 0.00 175.22 175.75 2pa7 s SER 101 N 0.66 4.66 0.48 1.36 1.04 0.00 -4.89 113.70 117.01 2pa7 s SER 101 Ca 0.54 2.13 0.17 0.00 0.48 0.00 0.00 55.95 59.27 2pa7 s SER 101 Cb -0.27 -2.56 1.18 0.00 0.10 0.00 0.00 66.02 64.47 2pa7 s SER 101 CO 0.30 -1.94 2.06 0.77 0.98 0.00 0.00 173.24 175.41 2pa7 h SER 102 N -0.21 0.00 -0.60 7.02 4.64 -1.91 -0.74 113.55 121.76 2pa7 h SER 102 Ca -0.47 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.85 2pa7 h SER 102 Cb 1.26 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.35 2pa7 h SER 102 CO 0.52 0.12 0.00 -0.90 -0.87 0.00 0.00 176.83 175.70 2pa7 n ASP 103 N -4.26 4.42 -4.76 4.97 3.85 -1.26 -4.47 116.55 115.03 2pa7 n ASP 103 Ca -0.03 -2.41 -0.38 0.00 -0.71 0.00 0.00 54.79 51.27 2pa7 n ASP 103 Cb 0.19 -0.56 0.03 0.00 -1.35 0.00 0.00 41.12 39.43 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 -1.42 0.50 -0.20 0.00 1.01 -0.30 -4.30 120.40 115.69 2pa7 s VAL 105 Ca 0.70 -0.10 -0.03 0.00 0.00 0.00 0.00 61.98 62.55 2pa7 s VAL 105 Cb -0.35 -0.73 -0.01 0.00 0.00 0.00 0.00 36.38 35.29 2pa7 s VAL 105 CO 0.42 0.15 -0.05 -0.32 0.00 0.00 0.00 175.10 175.30 2pa7 s MET 106 N 1.91 3.43 -0.08 2.72 1.75 -0.26 -1.06 119.30 127.70 2pa7 s MET 106 Ca 0.03 -0.62 0.01 0.00 -1.25 0.00 0.00 55.69 53.86 2pa7 s MET 106 Cb -0.13 -2.94 -0.03 0.00 2.84 0.00 0.00 34.83 34.56 2pa7 s MET 106 CO -0.06 -0.07 -0.07 1.41 -0.65 0.00 0.00 175.02 175.57 2pa7 s MET 107 N 1.15 2.85 -0.06 4.11 0.00 0.11 -0.74 119.30 126.72 2pa7 s MET 107 Ca 0.02 -0.56 0.03 0.00 0.00 0.00 0.00 55.69 55.17 2pa7 s MET 107 Cb -0.14 -2.61 0.01 0.00 0.00 0.00 0.00 34.83 32.08 2pa7 s MET 107 CO -0.01 0.60 -0.12 0.08 0.00 0.00 0.00 175.02 175.57 2pa7 s VAL 108 N -0.64 1.11 -0.23 10.11 1.01 0.98 -0.17 120.40 132.56 2pa7 s VAL 108 Ca 0.10 -0.49 -0.12 0.00 0.00 0.00 0.00 61.98 61.47 2pa7 s VAL 108 Cb -0.11 -1.00 -0.05 0.00 0.00 0.00 0.00 36.38 35.22 2pa7 s VAL 108 CO 0.02 0.34 0.23 -0.76 0.00 0.00 0.00 175.10 174.93 2pa7 s LEU 109 N 0.51 4.12 0.02 3.92 1.02 -0.26 -1.03 118.68 126.98 2pa7 s LEU 109 Ca -0.11 0.21 0.08 0.00 0.02 0.00 0.00 54.13 54.33 2pa7 s LEU 109 Cb -0.14 -2.22 -0.02 0.00 0.02 0.00 0.00 46.19 43.83 2pa7 s LEU 109 CO 0.03 0.02 -0.23 0.00 0.02 0.00 0.00 176.35 176.19 2pa7 s ALA 110 N 1.16 1.96 -0.89 4.21 0.00 0.62 -1.08 121.76 127.75 2pa7 s ALA 110 Ca 0.11 -1.10 0.21 0.00 0.00 0.00 0.00 51.96 51.18 2pa7 s ALA 110 Cb -0.14 -0.44 0.86 0.00 0.00 0.00 0.00 23.12 23.41 2pa7 s ALA 110 CO 0.06 0.46 1.66 -1.13 0.00 0.00 0.00 175.76 176.81 2pa7 n SER 111 N 2.07 0.18 -3.67 0.00 3.41 -0.58 -0.54 113.62 114.49 2pa7 n SER 111 Ca -0.16 0.53 -0.10 0.00 -0.26 0.00 0.00 58.87 58.88 2pa7 n SER 111 Cb 0.52 -0.58 -0.03 0.00 -0.26 0.00 0.00 64.21 63.86 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 -3.34 0.08 0.79 4.04 -1.08 -1.26 -4.27 116.67 111.62 2pa7 s ASP 112 Ca 0.09 -1.01 -0.11 0.00 -0.52 0.00 0.00 52.55 51.00 2pa7 s ASP 112 Cb 0.12 0.66 0.07 0.00 -1.46 0.00 0.00 42.92 42.32 2pa7 s ASP 112 CO 0.39 -1.29 1.09 -0.31 0.52 0.00 0.00 175.17 175.56 2pa7 s TYR 113 N -3.56 2.64 0.20 -5.34 4.12 -1.26 -4.34 117.35 109.81 2pa7 s TYR 113 Ca 0.21 1.40 -0.32 0.00 0.02 0.00 0.00 57.07 58.37 2pa7 s TYR 113 Cb -0.02 -3.06 -0.13 0.00 -1.52 0.00 0.00 41.96 37.23 2pa7 s TYR 113 CO 0.11 -1.85 1.57 0.98 0.02 0.00 0.00 175.55 176.38 2pa7 n TYR 114 N -3.54 2.42 -3.38 2.71 9.36 -1.26 -4.97 117.16 118.50 2pa7 n TYR 114 Ca 0.08 0.26 -0.16 0.00 3.32 0.00 0.00 57.90 61.39 2pa7 n TYR 114 Cb 0.54 -2.56 -0.09 0.00 -0.63 0.00 0.00 39.34 36.60 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 0.78 1.46 0.61 2.98 2.15 -1.26 -5.02 116.67 118.37 2pa7 s ASP 115 Ca 0.74 -0.87 0.31 0.00 0.43 0.00 0.00 52.55 53.16 2pa7 s ASP 115 Cb -0.62 0.58 1.79 0.00 -0.30 0.00 0.00 42.92 44.36 2pa7 s ASP 115 CO 0.40 -0.36 2.13 -0.33 -0.17 0.00 0.00 175.17 176.84 2pa7 h GLU 116 N 8.04 0.00 0.00 4.34 5.08 -2.00 -1.01 114.58 129.03 2pa7 h GLU 116 Ca -0.09 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.27 2pa7 h GLU 116 Cb 1.08 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.33 2pa7 h GLU 116 CO 0.30 0.00 0.00 0.25 -1.00 0.00 0.00 179.01 178.56 2pa7 n THR 117 N -3.59 0.18 -0.48 1.13 -2.24 -1.26 -2.84 114.28 105.18 2pa7 n THR 117 Ca 0.00 0.04 0.11 0.00 -2.27 0.00 0.00 64.05 61.93 2pa7 n THR 117 Cb 0.27 -0.62 0.33 0.00 -2.10 0.00 0.00 70.33 68.22 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 -1.29 4.28 -4.48 3.42 2.03 -0.38 -4.89 116.55 115.23 2pa7 n ASP 118 Ca 0.12 -2.19 -0.42 0.00 0.52 0.00 0.00 54.79 52.82 2pa7 n ASP 118 Cb 0.21 -0.52 -0.10 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 -1.36 3.21 -0.42 -0.67 1.51 -1.13 -3.32 117.35 115.17 2pa7 s TYR 119 Ca 0.49 -0.42 -0.23 0.00 -1.01 0.00 0.00 57.07 55.91 2pa7 s TYR 119 Cb 0.28 -2.67 0.02 0.00 -0.11 0.00 0.00 41.96 39.48 2pa7 s TYR 119 CO 0.29 -0.58 0.75 0.42 -1.11 0.00 0.00 175.55 175.33 2pa7 s ILE 120 N 1.85 4.71 -2.69 2.71 1.01 -0.07 -4.91 121.20 123.81 2pa7 s ILE 120 Ca 0.08 0.51 0.24 0.00 0.00 0.00 0.00 60.65 61.47 2pa7 s ILE 120 Cb -0.18 -4.26 0.32 0.00 0.01 0.00 0.00 42.46 38.35 2pa7 s ILE 120 CO 0.11 -0.60 1.34 0.54 0.00 0.00 0.00 174.94 176.33 2pa7 n ARG 121 N 6.53 2.43 -4.09 2.79 1.74 -1.26 -1.98 116.66 122.83 2pa7 n ARG 121 Ca 0.02 -2.14 -0.32 0.00 -0.77 0.00 0.00 57.85 54.64 2pa7 n ARG 121 Cb 0.48 -1.49 -0.16 0.00 -1.02 0.00 0.00 32.46 30.27 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 -1.70 2.70 0.28 5.56 1.11 -1.26 -4.89 119.66 121.46 2pa7 s GLN 122 Ca 0.34 -0.71 0.02 0.00 0.01 0.00 0.00 55.36 55.01 2pa7 s GLN 122 Cb 0.22 -2.37 0.65 0.00 -1.01 0.00 0.00 33.01 30.50 2pa7 s GLN 122 CO 0.31 -0.22 1.72 -0.92 0.01 0.00 0.00 175.29 176.19 2pa7 h TYR 123 N 7.98 0.68 -0.14 0.91 3.20 -1.90 0.62 116.97 128.33 2pa7 h TYR 123 Ca -0.43 0.04 -0.05 0.00 3.14 0.00 0.00 58.73 61.43 2pa7 h TYR 123 Cb 1.14 -0.17 -0.01 0.00 1.54 0.00 0.00 36.73 39.23 2pa7 h TYR 123 CO 0.47 0.03 -0.16 -0.44 -1.64 0.00 0.00 178.16 176.42 2pa7 h ASP 124 N 0.48 0.21 0.52 -2.11 3.32 -1.99 0.36 116.42 117.21 2pa7 h ASP 124 Ca 0.52 -0.05 -0.18 0.00 0.02 0.00 0.00 57.03 57.35 2pa7 h ASP 124 Cb 0.91 -0.06 -0.01 0.00 0.22 0.00 0.00 39.33 40.39 2pa7 h ASP 124 CO -0.47 0.40 -0.78 0.78 -1.72 0.00 0.00 179.24 177.44 2pa7 h ASN 125 N 0.21 0.24 -0.30 6.45 2.35 -1.41 0.11 115.58 123.23 2pa7 h ASN 125 Ca 0.04 -0.18 -0.01 0.00 -0.55 0.00 0.00 56.30 55.60 2pa7 h ASN 125 Cb 0.42 -0.07 -0.01 0.00 0.05 0.00 0.00 38.32 38.70 2pa7 h ASN 125 CO 0.03 0.93 0.14 0.15 -1.65 0.00 0.00 177.43 177.03 2pa7 h PHE 126 N 0.12 0.43 -0.80 1.19 3.57 0.29 0.24 116.94 121.98 2pa7 h PHE 126 Ca -0.03 -0.02 -0.01 0.00 3.53 0.00 0.00 57.97 61.44 2pa7 h PHE 126 Cb 1.37 -0.13 -0.04 0.00 2.79 0.00 0.00 35.95 39.94 2pa7 h PHE 126 CO 0.02 0.38 0.45 0.87 -2.23 0.00 0.00 178.31 177.81 2pa7 h LYS 127 N 0.35 1.11 -0.61 1.11 1.79 -0.79 -0.22 116.57 119.31 2pa7 h LYS 127 Ca 0.10 -0.12 -0.07 0.00 -2.18 0.00 0.00 60.65 58.38 2pa7 h LYS 127 Cb 0.11 -0.22 -0.02 0.00 -1.58 0.00 0.00 32.23 30.52 2pa7 h LYS 127 CO -0.01 0.81 0.12 0.87 -1.08 0.00 0.00 179.45 180.16 2pa7 h LYS 128 N 1.11 1.00 -0.52 3.15 1.57 -0.38 -1.07 116.57 121.43 2pa7 h LYS 128 Ca 0.28 -0.26 0.05 0.00 -1.87 0.00 0.00 60.65 58.86 2pa7 h LYS 128 Cb 0.02 -0.12 -0.05 0.00 0.08 0.00 0.00 32.23 32.16 2pa7 h LYS 128 CO -0.05 0.93 0.25 -0.92 -0.57 0.00 0.00 179.45 179.09 2pa7 h TYR 129 N 0.91 0.45 -0.19 -1.35 3.20 0.16 0.88 116.97 121.03 2pa7 h TYR 129 Ca 0.19 0.02 0.01 0.00 3.14 0.00 0.00 58.73 62.09 2pa7 h TYR 129 Cb 0.40 -0.13 -0.01 0.00 1.54 0.00 0.00 36.73 38.53 2pa7 h TYR 129 CO 0.03 0.20 0.11 0.82 -1.64 0.00 0.00 178.16 177.68 2pa7 h ILE 130 N 0.48 1.02 -0.75 1.81 1.08 -0.80 0.22 117.51 120.56 2pa7 h ILE 130 Ca 0.23 -0.08 0.09 0.00 -0.39 0.00 0.00 64.86 64.72 2pa7 h ILE 130 Cb 0.17 0.78 -0.07 0.00 -3.07 0.00 0.00 36.82 34.62 2pa7 h ILE 130 CO -0.18 0.04 0.40 0.00 -0.69 0.00 0.00 178.15 177.72 2pa7 h ALA 131 N 1.08 1.05 -0.43 1.87 0.00 -0.46 0.23 119.26 122.60 2pa7 h ALA 131 Ca 0.07 0.04 -0.01 0.00 0.00 0.00 0.00 54.91 55.02 2pa7 h ALA 131 Cb -0.00 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 17.68 2pa7 h ALA 131 CO -0.04 0.01 0.25 -0.22 0.00 0.00 0.00 179.25 179.25 2pa7 h LYS 132 N 0.68 0.59 -0.62 0.00 3.64 -0.13 -1.79 116.57 118.93 2pa7 h LYS 132 Ca 0.37 -0.06 0.04 0.00 -1.27 0.00 0.00 60.65 59.73 2pa7 h LYS 132 Cb 0.36 -0.12 -0.05 0.00 -0.41 0.00 0.00 32.23 32.01 2pa7 h LYS 132 CO -0.25 0.45 0.35 0.82 -2.27 0.00 0.00 179.45 178.55 2pa7 h ILE 133 N 0.56 1.00 -0.02 2.00 2.04 0.32 -1.63 117.51 121.79 2pa7 h ILE 133 Ca 0.15 -0.23 0.01 0.00 1.00 0.00 0.00 64.86 65.79 2pa7 h ILE 133 Cb 0.03 0.28 -0.00 0.00 -0.74 0.00 0.00 36.82 36.38 2pa7 h ILE 133 CO -0.03 0.12 0.36 0.78 0.00 0.00 0.00 178.15 179.39 2pa7 h ASN 134 N 0.67 0.00 -0.00 1.72 2.35 0.29 -3.51 115.58 117.10 2pa7 h ASN 134 Ca 0.27 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.02 2pa7 h ASN 134 Cb 0.12 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.49 2pa7 h ASN 134 CO -0.15 0.00 0.00 0.18 -1.65 0.00 0.00 177.43 175.81