#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1r9p n ALA 2 N 0.00 -0.04 -2.92 3.17 0.00 -1.26 -5.01 120.51 114.45 1r9p n ALA 2 Ca 0.00 0.01 -0.07 0.00 0.00 0.00 0.00 53.44 53.37 1r9p n ALA 2 Cb 0.00 -0.02 0.01 0.00 0.00 0.00 0.00 19.45 19.44 1r9p n ALA 2 CO 0.00 0.00 0.00 0.98 0.00 0.00 0.00 177.50 178.48 1r9p n TYR 3 N -2.38 -3.14 -0.50 0.00 9.36 -1.26 -4.98 117.16 114.26 1r9p n TYR 3 Ca -0.00 1.33 0.00 0.00 3.32 0.00 0.00 57.90 62.55 1r9p n TYR 3 Cb 0.01 -3.37 0.00 0.00 -0.63 0.00 0.00 39.34 35.35 1r9p n TYR 3 CO 0.00 0.00 0.00 0.43 0.22 0.00 0.00 176.86 177.51 1r9p n SER 4 N 0.35 -0.70 -0.00 2.98 7.64 -1.26 -5.04 113.62 117.58 1r9p n SER 4 Ca 0.03 -0.50 -0.00 0.00 1.01 0.00 0.00 58.87 59.40 1r9p n SER 4 Cb 0.30 0.00 -0.00 0.00 -1.01 0.00 0.00 64.21 63.50 1r9p n SER 4 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 1r9p n GLU 5 N -1.21 0.01 -2.35 1.43 1.02 -1.26 -5.02 120.64 113.26 1r9p n GLU 5 Ca 0.00 0.09 -0.24 0.00 -0.02 0.00 0.00 57.16 56.99 1r9p n GLU 5 Cb 0.00 -0.61 0.13 0.00 -0.02 0.00 0.00 31.44 30.95 1r9p n GLU 5 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 1r9p n LYS 6 N -2.48 -0.35 -3.50 3.49 5.02 -1.26 -5.09 118.16 113.99 1r9p n LYS 6 Ca -0.00 -2.49 -0.23 0.00 -2.02 0.00 0.00 58.31 53.57 1r9p n LYS 6 Cb 0.01 -0.80 -0.01 0.00 -0.02 0.00 0.00 35.03 34.21 1r9p n LYS 6 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1r9p s VAL 7 N -3.17 5.11 -0.43 -0.18 1.01 -1.26 -5.07 120.40 116.40 1r9p s VAL 7 Ca 0.66 -0.59 0.05 0.00 0.00 0.00 0.00 61.98 62.10 1r9p s VAL 7 Cb -0.03 -3.85 0.17 0.00 0.00 0.00 0.00 36.38 32.67 1r9p s VAL 7 CO 0.44 -0.50 0.46 -0.51 0.00 0.00 0.00 175.10 174.99 1r9p s ILE 8 N -2.25 -0.24 0.04 2.22 2.07 -1.26 -5.12 121.20 116.67 1r9p s ILE 8 Ca 0.39 -1.69 -0.30 0.00 -1.41 0.00 0.00 60.65 57.63 1r9p s ILE 8 Cb -0.09 -0.72 -0.06 0.00 0.13 0.00 0.00 42.46 41.71 1r9p s ILE 8 CO 0.34 -0.70 1.34 -1.81 -1.91 0.00 0.00 174.94 172.21 1r9p s ASP 9 N 0.69 6.91 0.31 4.50 1.11 -1.26 -5.02 116.67 123.91 1r9p s ASP 9 Ca 0.27 2.12 0.10 0.00 0.18 0.00 0.00 52.55 55.23 1r9p s ASP 9 Cb -0.03 -2.57 -0.05 0.00 1.07 0.00 0.00 42.92 41.34 1r9p s ASP 9 CO -0.10 -0.64 -0.06 -1.38 1.18 0.00 0.00 175.17 174.17 1r9p s HIS 10 N 1.76 2.50 -0.02 4.23 -3.43 -1.26 -5.14 115.29 113.93 1r9p s HIS 10 Ca 0.62 -0.37 0.04 0.00 -0.80 0.00 0.00 55.06 54.55 1r9p s HIS 10 Cb -0.32 -1.29 -0.03 0.00 -1.43 0.00 0.00 32.58 29.51 1r9p s HIS 10 CO 0.28 0.58 -0.13 -0.47 -2.00 0.00 0.00 174.74 173.00 1r9p s TYR 11 N -2.49 2.73 -0.29 0.38 5.04 -1.26 -5.10 117.35 116.36 1r9p s TYR 11 Ca 0.33 -0.14 -0.24 0.00 -2.44 0.00 0.00 57.07 54.58 1r9p s TYR 11 Cb -0.02 -1.60 0.17 0.00 0.35 0.00 0.00 41.96 40.86 1r9p s TYR 11 CO 0.18 0.26 1.32 -2.00 -1.34 0.00 0.00 175.55 173.97 1r9p s GLU 12 N -1.05 0.18 0.63 4.97 2.12 -1.26 -5.15 118.70 119.14 1r9p s GLU 12 Ca 0.14 0.22 0.00 0.00 0.36 0.00 0.00 54.97 55.69 1r9p s GLU 12 Cb -0.11 0.09 0.00 0.00 0.26 0.00 0.00 34.13 34.37 1r9p s GLU 12 CO 0.03 -0.02 0.00 0.09 -0.54 0.00 0.00 175.26 174.82 1r9p n ASN 13 N 1.85 -7.95 -2.51 -1.70 4.13 -1.26 -4.92 115.26 102.89 1r9p n ASN 13 Ca -0.11 1.47 -0.05 0.00 1.68 0.00 0.00 54.58 57.56 1r9p n ASN 13 Cb 0.57 -5.05 0.04 0.00 -1.54 0.00 0.00 39.78 33.80 1r9p n ASN 13 CO 0.00 0.00 0.00 -0.81 0.28 0.00 0.00 177.26 176.73 1r9p n PRO 14 N -4.39 -0.81 -3.67 3.52 -0.04 -1.26 -5.10 135.00 123.26 1r9p n PRO 14 Ca -0.09 -0.34 -0.12 0.00 -0.04 0.00 0.00 63.50 62.91 1r9p n PRO 14 Cb 0.69 -0.27 -0.12 0.00 -0.04 0.00 0.00 33.50 33.77 1r9p n PRO 14 CO 0.00 0.00 0.00 0.50 -0.04 0.00 0.00 175.50 175.96 1r9p s ARG 15 N -3.48 0.21 0.31 0.54 3.52 -1.26 -5.16 118.95 113.63 1r9p s ARG 15 Ca 0.13 0.79 0.08 0.00 -0.13 0.00 0.00 55.73 56.59 1r9p s ARG 15 Cb -0.01 0.03 -0.03 0.00 -1.56 0.00 0.00 34.95 33.38 1r9p s ARG 15 CO 0.09 -0.25 0.23 -0.80 -0.81 0.00 0.00 175.30 173.76 1r9p s ASN 16 N 2.25 5.26 -0.32 -2.12 0.01 -1.26 -5.09 114.94 113.67 1r9p s ASN 16 Ca -0.01 -0.46 -0.09 0.00 -0.71 0.00 0.00 52.86 51.59 1r9p s ASN 16 Cb -0.12 -1.07 0.00 0.00 0.41 0.00 0.00 41.25 40.48 1r9p s ASN 16 CO -0.10 -0.24 0.14 -0.69 -1.51 0.00 0.00 177.10 174.71 1r9p s VAL 17 N -2.27 4.39 0.00 1.60 1.01 -1.26 -4.94 120.40 118.94 1r9p s VAL 17 Ca 0.38 -0.58 0.00 0.00 0.00 0.00 0.00 61.98 61.78 1r9p s VAL 17 Cb -0.06 -3.29 0.00 0.00 0.00 0.00 0.00 36.38 33.03 1r9p s VAL 17 CO 0.25 0.02 0.00 0.61 0.00 0.00 0.00 175.10 175.98 1r9p n GLY 18 N 4.95 0.48 3.43 4.51 0.00 -1.26 -4.55 105.19 112.75 1r9p n GLY 18 Ca -0.14 0.52 -0.14 0.00 0.00 0.00 0.00 46.02 46.26 1r9p n GLY 18 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1r9p n SER 19 N 3.04 -1.48 -1.57 1.61 2.88 -1.26 -5.11 113.62 111.73 1r9p n SER 19 Ca 0.00 -2.87 0.00 0.00 -1.33 0.00 0.00 58.87 54.67 1r9p n SER 19 Cb 0.00 2.71 0.00 0.00 -0.75 0.00 0.00 64.21 66.17 1r9p n SER 19 CO 0.00 0.00 0.00 0.18 -1.23 0.00 0.00 175.04 173.99 1r9p n LEU 20 N 0.00 0.00 -4.68 2.46 7.99 -1.26 -4.96 117.00 116.55 1r9p n LEU 20 Ca -0.01 0.00 -0.49 0.00 -0.01 0.00 0.00 56.01 55.50 1r9p n LEU 20 Cb 0.59 0.00 -0.05 0.00 -0.11 0.00 0.00 43.42 43.85 1r9p n LEU 20 CO 0.29 -0.28 1.37 0.47 -1.51 0.00 0.00 177.39 177.73 1r9p n ASP 21 N -1.67 3.14 -0.35 -1.43 9.92 -1.26 -4.79 116.55 120.11 1r9p n ASP 21 Ca 0.00 1.02 0.26 0.00 -0.53 0.00 0.00 54.79 55.54 1r9p n ASP 21 Cb 0.00 -1.35 0.51 0.00 -0.64 0.00 0.00 41.12 39.64 1r9p n ASP 21 CO 0.00 0.00 0.00 0.11 0.13 0.00 0.00 177.20 177.44 1r9p h LYS 22 N 7.96 0.27 -2.14 -1.24 6.56 -1.99 0.71 116.57 126.71 1r9p h LYS 22 Ca -0.47 -0.02 -0.43 0.00 -1.06 0.00 0.00 60.65 58.67 1r9p h LYS 22 Cb 1.28 -0.06 -0.12 0.00 -0.57 0.00 0.00 32.23 32.76 1r9p h LYS 22 CO 0.93 0.18 0.59 1.63 -2.06 0.00 0.00 179.45 180.72 1r9p n LYS 23 N -4.97 2.59 -4.09 3.15 5.02 -1.26 -4.91 118.16 113.70 1r9p n LYS 23 Ca 0.32 -1.98 -0.34 0.00 -2.02 0.00 0.00 58.31 54.30 1r9p n LYS 23 Cb 1.06 -2.19 -0.07 0.00 -0.02 0.00 0.00 35.03 33.80 1r9p n LYS 23 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1r9p s ASP 24 N 1.08 5.79 0.00 4.39 1.01 0.24 -4.98 116.67 124.20 1r9p s ASP 24 Ca 0.62 0.22 0.31 0.00 0.71 0.00 0.00 52.55 54.41 1r9p s ASP 24 Cb 0.32 -1.72 1.59 0.00 1.01 0.00 0.00 42.92 44.13 1r9p s ASP 24 CO -0.12 0.32 2.07 -0.24 0.21 0.00 0.00 175.17 177.41 1r9p n SER 25 N 1.48 0.13 -0.73 0.27 2.88 -1.26 -3.00 113.62 113.39 1r9p n SER 25 Ca -0.15 -0.56 0.07 0.00 -1.33 0.00 0.00 58.87 56.90 1r9p n SER 25 Cb 0.53 -0.14 0.15 0.00 -0.75 0.00 0.00 64.21 64.01 1r9p n SER 25 CO 0.00 0.00 0.00 -0.46 -1.23 0.00 0.00 175.04 173.35 1r9p n ASN 26 N -1.08 2.88 -3.97 -3.46 0.23 -1.26 -4.89 115.26 103.70 1r9p n ASN 26 Ca 0.18 -1.88 -0.30 0.00 -0.53 0.00 0.00 54.58 52.05 1r9p n ASN 26 Cb 0.21 -0.21 -0.16 0.00 -2.08 0.00 0.00 39.78 37.54 1r9p n ASN 26 CO 0.00 0.00 0.00 -0.69 -0.93 0.00 0.00 177.26 175.64 1r9p s VAL 27 N -1.05 1.53 -0.09 3.53 1.01 -1.16 -0.76 120.40 123.41 1r9p s VAL 27 Ca 0.25 -0.93 -0.01 0.00 0.00 0.00 0.00 61.98 61.30 1r9p s VAL 27 Cb 0.14 -1.62 -0.03 0.00 0.00 0.00 0.00 36.38 34.87 1r9p s VAL 27 CO 0.19 0.16 -0.04 -0.83 0.00 0.00 0.00 175.10 174.58 1r9p s GLY 28 N 1.45 1.76 -0.20 4.51 0.00 -1.02 -4.67 107.32 109.16 1r9p s GLY 28 Ca -0.01 -0.85 0.01 0.00 0.00 0.00 0.00 44.72 43.87 1r9p s GLY 28 CO -0.08 -0.56 -0.09 -1.59 0.00 0.00 0.00 173.10 170.78 1r9p s THR 29 N -0.71 1.54 0.02 0.90 2.01 -1.25 -2.02 115.64 116.12 1r9p s THR 29 Ca 0.11 -0.96 0.01 0.00 0.31 0.00 0.00 61.69 61.17 1r9p s THR 29 Cb -0.11 -1.65 -0.04 0.00 0.01 0.00 0.00 72.50 70.71 1r9p s THR 29 CO 0.02 0.14 0.03 -0.83 -0.69 0.00 0.00 174.62 173.30 1r9p s GLY 30 N 1.44 1.94 -0.06 4.40 0.00 0.78 -4.43 107.32 111.38 1r9p s GLY 30 Ca -0.01 -0.95 0.00 0.00 0.00 0.00 0.00 44.72 43.76 1r9p s GLY 30 CO -0.08 -0.85 -0.04 -0.29 0.00 0.00 0.00 173.10 171.85 1r9p s MET 31 N -1.79 0.89 0.12 2.90 0.00 -1.26 -1.11 119.30 119.04 1r9p s MET 31 Ca 0.22 -0.06 0.07 0.00 0.00 0.00 0.00 55.69 55.92 1r9p s MET 31 Cb -0.12 -1.02 -0.04 0.00 0.00 0.00 0.00 34.83 33.65 1r9p s MET 31 CO 0.14 -0.18 -0.06 0.14 0.00 0.00 0.00 175.02 175.06 1r9p s VAL 32 N 1.40 3.59 -0.02 10.11 -7.23 -0.52 -5.01 120.40 122.72 1r9p s VAL 32 Ca -0.03 -1.25 0.05 0.00 -1.81 0.00 0.00 61.98 58.93 1r9p s VAL 32 Cb -0.13 -2.72 -0.01 0.00 0.56 0.00 0.00 36.38 34.08 1r9p s VAL 32 CO -0.03 0.06 -0.16 -0.83 -0.31 0.00 0.00 175.10 173.83 1r9p s GLY 33 N -2.41 0.82 -0.35 2.32 0.00 -1.26 -1.67 107.32 104.78 1r9p s GLY 33 Ca 0.24 -0.67 0.02 0.00 0.00 0.00 0.00 44.72 44.30 1r9p s GLY 33 CO 0.16 -0.47 0.33 0.00 0.00 0.00 0.00 173.10 173.12 1r9p s ALA 34 N -0.20 -0.22 -1.40 3.20 0.00 -0.33 -4.88 121.76 117.94 1r9p s ALA 34 Ca 0.02 -0.96 -0.15 0.00 0.00 0.00 0.00 51.96 50.87 1r9p s ALA 34 Cb -0.08 -1.92 0.03 0.00 0.00 0.00 0.00 23.12 21.15 1r9p s ALA 34 CO 0.00 -2.03 2.17 -0.35 0.00 0.00 0.00 175.76 175.55 1r9p n PRO 35 N 4.47 2.78 0.00 0.00 -0.04 -1.26 0.66 135.00 141.61 1r9p n PRO 35 Ca 0.08 -2.60 0.00 0.00 -0.04 0.00 0.00 63.50 60.94 1r9p n PRO 35 Cb 0.44 -3.28 0.00 0.00 -0.04 0.00 0.00 33.50 30.62 1r9p n PRO 35 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1r9p n ALA 36 N 6.43 0.00 0.00 0.55 0.00 -1.26 -5.01 120.51 121.22 1r9p n ALA 36 Ca 0.52 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.96 1r9p n ALA 36 Cb 0.40 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.85 1r9p n ALA 36 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1r9p h GLY 38 N 0.00 0.10 0.00 0.00 0.00 -1.77 -2.60 103.07 98.79 1r9p h GLY 38 Ca 0.00 -0.05 0.00 0.00 0.00 0.00 0.00 47.33 47.28 1r9p h GLY 38 CO 0.00 0.05 0.00 1.34 0.00 0.00 0.00 176.54 177.93 1r9p n ASP 39 N -4.97 0.00 -4.42 0.19 2.03 0.21 -4.11 116.55 105.47 1r9p n ASP 39 Ca -0.06 0.00 -0.44 0.00 0.52 0.00 0.00 54.79 54.81 1r9p n ASP 39 Cb 0.09 0.00 -0.04 0.00 -0.72 0.00 0.00 41.12 40.45 1r9p n ASP 39 CO 0.00 0.00 0.00 0.68 -1.92 0.00 0.00 177.20 175.96 1r9p s VAL 40 N -0.49 4.54 -0.05 5.18 -7.23 -1.26 -1.18 120.40 119.91 1r9p s VAL 40 Ca 0.00 -0.70 -0.12 0.00 -1.81 0.00 0.00 61.98 59.36 1r9p s VAL 40 Cb 0.00 -4.62 -0.05 0.00 0.56 0.00 0.00 36.38 32.27 1r9p s VAL 40 CO 0.00 -1.34 0.31 -0.32 -0.31 0.00 0.00 175.10 173.44 1r9p s MET 41 N 3.44 3.75 -0.28 4.82 1.75 -0.67 -4.51 119.30 127.60 1r9p s MET 41 Ca 0.19 0.21 0.03 0.00 -1.25 0.00 0.00 55.69 54.87 1r9p s MET 41 Cb -0.19 -3.21 0.07 0.00 2.84 0.00 0.00 34.83 34.34 1r9p s MET 41 CO 0.07 0.72 -0.06 -1.14 -0.65 0.00 0.00 175.02 173.96 1r9p s GLN 42 N -1.03 2.05 -0.19 4.11 0.74 -0.16 -1.43 119.66 123.74 1r9p s GLN 42 Ca 0.20 -1.49 -0.07 0.00 0.05 0.00 0.00 55.36 54.06 1r9p s GLN 42 Cb -0.15 -2.99 -0.04 0.00 1.10 0.00 0.00 33.01 30.93 1r9p s GLN 42 CO 0.10 -0.67 0.05 -1.17 -0.55 0.00 0.00 175.29 173.05 1r9p s LEU 43 N 1.06 3.63 -0.10 3.68 2.96 -0.27 -1.93 118.68 127.71 1r9p s LEU 43 Ca -0.04 -0.02 -0.00 0.00 -0.22 0.00 0.00 54.13 53.85 1r9p s LEU 43 Cb -0.20 -1.93 0.02 0.00 0.50 0.00 0.00 46.19 44.59 1r9p s LEU 43 CO -0.06 0.12 -0.07 -1.58 -1.32 0.00 0.00 176.35 173.45 1r9p s GLN 44 N 0.68 1.41 0.14 1.98 0.74 0.17 -0.16 119.66 124.62 1r9p s GLN 44 Ca 0.02 -0.21 0.08 0.00 0.05 0.00 0.00 55.36 55.30 1r9p s GLN 44 Cb -0.13 -1.49 -0.04 0.00 1.10 0.00 0.00 33.01 32.44 1r9p s GLN 44 CO 0.02 -0.26 -0.07 0.96 -0.55 0.00 0.00 175.29 175.39 1r9p s ILE 45 N 1.69 3.41 0.19 -2.34 -4.36 -0.86 -1.40 121.20 117.53 1r9p s ILE 45 Ca 0.04 -1.40 0.09 0.00 -0.26 0.00 0.00 60.65 59.12 1r9p s ILE 45 Cb -0.13 -2.65 -0.04 0.00 1.25 0.00 0.00 42.46 40.89 1r9p s ILE 45 CO -0.07 0.00 -0.10 -0.75 0.24 0.00 0.00 174.94 174.26 1r9p s LYS 46 N -2.54 2.03 -0.08 0.37 2.20 -0.97 -2.42 119.74 118.32 1r9p s LYS 46 Ca 0.24 -1.30 -0.01 0.00 -0.36 0.00 0.00 55.97 54.54 1r9p s LYS 46 Cb -0.10 -2.13 0.03 0.00 -1.51 0.00 0.00 37.83 34.11 1r9p s LYS 46 CO 0.15 0.43 -0.03 0.08 -0.36 0.00 0.00 175.35 175.62 1r9p s VAL 47 N -1.74 0.63 0.18 4.02 1.01 0.06 -3.70 120.40 120.85 1r9p s VAL 47 Ca 0.25 -0.06 -0.21 0.00 0.00 0.00 0.00 61.98 61.96 1r9p s VAL 47 Cb -0.09 -0.71 0.10 0.00 0.00 0.00 0.00 36.38 35.68 1r9p s VAL 47 CO 0.15 0.29 1.60 -0.78 0.00 0.00 0.00 175.10 176.36 1r9p h ASP 48 N 8.07 -1.02 0.00 3.32 3.58 -1.65 -3.45 116.42 125.27 1r9p h ASP 48 Ca -0.26 0.20 0.00 0.00 0.42 0.00 0.00 57.03 57.39 1r9p h ASP 48 Cb 1.13 0.50 0.00 0.00 1.72 0.00 0.00 39.33 42.69 1r9p h ASP 48 CO 0.34 -0.30 0.00 0.47 -2.88 0.00 0.00 179.24 176.88 1r9p n ASP 49 N -5.42 0.00 -0.44 2.28 8.00 -1.26 -4.95 116.55 114.76 1r9p n ASP 49 Ca 0.03 0.00 0.14 0.00 0.71 0.00 0.00 54.79 55.67 1r9p n ASP 49 Cb 0.34 0.00 0.51 0.00 -0.02 0.00 0.00 41.12 41.95 1r9p n ASP 49 CO 0.00 0.00 0.00 -0.46 -0.39 0.00 0.00 177.20 176.35 1r9p n ASN 50 N 0.00 1.40 0.00 -2.24 2.04 -1.26 -4.87 115.26 110.32 1r9p n ASN 50 Ca 0.00 -1.40 0.00 0.00 -0.44 0.00 0.00 54.58 52.74 1r9p n ASN 50 Cb 0.00 0.02 0.00 0.00 -2.53 0.00 0.00 39.78 37.27 1r9p n ASN 50 CO 0.00 0.00 0.00 0.61 -0.44 0.00 0.00 177.26 177.43 1r9p n GLY 51 N 1.20 1.00 3.85 4.83 0.00 -1.26 -5.01 105.19 109.80 1r9p n GLY 51 Ca 0.18 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.83 1r9p n GLY 51 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1r9p s ILE 52 N -2.00 5.44 -0.23 -0.61 -1.09 -1.26 -2.03 121.20 119.42 1r9p s ILE 52 Ca 0.00 0.19 -0.14 0.00 -2.23 0.00 0.00 60.65 58.47 1r9p s ILE 52 Cb 0.00 -3.38 -0.04 0.00 -1.58 0.00 0.00 42.46 37.45 1r9p s ILE 52 CO 0.00 0.60 0.30 -0.63 -1.23 0.00 0.00 174.94 173.97 1r9p s ILE 53 N -0.83 5.26 -0.12 2.92 1.01 -0.85 -1.80 121.20 126.78 1r9p s ILE 53 Ca 0.14 0.47 0.11 0.00 0.00 0.00 0.00 60.65 61.37 1r9p s ILE 53 Cb -0.12 -3.63 -0.15 0.00 0.01 0.00 0.00 42.46 38.57 1r9p s ILE 53 CO 0.03 0.27 0.04 -1.84 0.00 0.00 0.00 174.94 173.45 1r9p n GLU 54 N 4.54 1.94 -4.29 2.79 0.28 -1.24 -0.48 120.64 124.17 1r9p n GLU 54 Ca -0.11 -0.01 -0.24 0.00 -0.16 0.00 0.00 57.16 56.64 1r9p n GLU 54 Cb 0.51 -1.32 -0.12 0.00 1.43 0.00 0.00 31.44 31.94 1r9p n GLU 54 CO 0.00 0.00 0.00 -0.51 -0.16 0.00 0.00 177.13 176.46 1r9p s ASP 55 N -4.55 2.58 0.04 -1.84 1.01 -1.26 -4.66 116.67 107.99 1r9p s ASP 55 Ca -0.06 -0.70 -0.09 0.00 0.71 0.00 0.00 52.55 52.41 1r9p s ASP 55 Cb 0.04 -0.14 0.00 0.00 1.01 0.00 0.00 42.92 43.82 1r9p s ASP 55 CO 0.51 0.06 0.17 0.00 0.21 0.00 0.00 175.17 176.12 1r9p s ALA 56 N -1.22 -0.29 -0.10 5.23 0.00 -1.26 -2.29 121.76 121.83 1r9p s ALA 56 Ca 0.07 -0.36 -0.14 0.00 0.00 0.00 0.00 51.96 51.53 1r9p s ALA 56 Cb -0.10 0.29 0.03 0.00 0.00 0.00 0.00 23.12 23.34 1r9p s ALA 56 CO 0.04 -0.36 0.37 0.21 0.00 0.00 0.00 175.76 176.02 1r9p s LYS 57 N -2.66 0.53 0.33 0.00 2.20 -0.49 -5.03 119.74 114.62 1r9p s LYS 57 Ca -0.04 0.30 0.07 0.00 -0.36 0.00 0.00 55.97 55.94 1r9p s LYS 57 Cb -0.01 0.25 -0.03 0.00 -1.51 0.00 0.00 37.83 36.53 1r9p s LYS 57 CO -0.04 -0.10 0.26 1.97 -0.36 0.00 0.00 175.35 177.07 1r9p n PHE 58 N 2.33 -0.66 -3.15 4.03 -1.74 -1.26 -0.66 117.46 116.36 1r9p n PHE 58 Ca -0.16 -2.69 0.05 0.00 -0.56 0.00 0.00 57.45 54.10 1r9p n PHE 58 Cb 0.57 0.25 -0.01 0.00 1.52 0.00 0.00 39.48 41.81 1r9p n PHE 58 CO 0.00 0.00 0.00 0.21 -0.56 0.00 0.00 176.76 176.41 1r9p s LYS 59 N -3.33 0.24 0.02 3.97 2.20 -0.81 -4.91 119.74 117.12 1r9p s LYS 59 Ca 0.36 0.33 0.01 0.00 -0.36 0.00 0.00 55.97 56.31 1r9p s LYS 59 Cb 0.02 0.17 -0.01 0.00 -1.51 0.00 0.00 37.83 36.49 1r9p s LYS 59 CO 0.26 -0.37 -0.05 -0.08 -0.36 0.00 0.00 175.35 174.74 1r9p s THR 60 N 2.93 0.38 -0.31 3.43 -1.32 -1.26 -0.99 115.64 118.51 1r9p s THR 60 Ca 0.14 -0.58 0.04 0.00 -1.21 0.00 0.00 61.69 60.08 1r9p s THR 60 Cb -0.07 -0.40 0.17 0.00 -1.51 0.00 0.00 72.50 70.70 1r9p s THR 60 CO -0.19 -0.14 0.48 -0.47 -2.21 0.00 0.00 174.62 172.09 1r9p s TYR 61 N -0.70 -1.30 0.00 9.09 5.04 -1.26 -4.92 117.35 123.31 1r9p s TYR 61 Ca -0.04 0.48 0.00 0.00 -2.44 0.00 0.00 57.07 55.07 1r9p s TYR 61 Cb -0.05 0.02 0.00 0.00 0.35 0.00 0.00 41.96 42.27 1r9p s TYR 61 CO -0.00 -1.03 0.00 0.41 -1.34 0.00 0.00 175.55 173.58 1r9p n GLY 62 N 5.23 -0.30 3.63 8.97 0.00 -1.26 -4.70 105.19 116.76 1r9p n GLY 62 Ca 0.04 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.69 1r9p n GLY 62 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1r9p s GLY 64 N 1.20 2.01 0.00 0.00 0.00 -1.26 -3.89 107.32 105.38 1r9p s GLY 64 Ca 0.07 -0.46 0.00 0.00 0.00 0.00 0.00 44.72 44.33 1r9p s GLY 64 CO 0.06 1.12 0.00 -1.26 0.00 0.00 0.00 173.10 173.01 1r9p n SER 65 N 4.99 0.00 -1.06 1.64 2.88 -1.26 -4.73 113.62 116.09 1r9p n SER 65 Ca -0.05 0.00 0.11 0.00 -1.33 0.00 0.00 58.87 57.60 1r9p n SER 65 Cb 0.50 -0.61 0.27 0.00 -0.75 0.00 0.00 64.21 63.62 1r9p n SER 65 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1r9p n ALA 66 N 0.46 2.42 -0.01 -1.46 0.00 -1.25 -4.22 120.51 116.45 1r9p n ALA 66 Ca 0.00 -0.97 -0.15 0.00 0.00 0.00 0.00 53.44 52.32 1r9p n ALA 66 Cb 0.00 -0.95 -0.04 0.00 0.00 0.00 0.00 19.45 18.47 1r9p n ALA 66 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.50 178.32 1r9p h ILE 67 N 3.66 1.30 -0.85 0.00 2.04 -1.85 -3.15 117.51 118.65 1r9p h ILE 67 Ca 0.00 -1.96 0.08 0.00 1.00 0.00 0.00 64.86 63.98 1r9p h ILE 67 Cb 0.82 1.94 -0.07 0.00 -0.74 0.00 0.00 36.82 38.77 1r9p h ILE 67 CO 0.00 0.62 0.51 0.00 0.00 0.00 0.00 178.15 179.27 1r9p h ALA 68 N 0.68 1.20 -0.93 1.87 0.00 -1.96 -0.58 119.26 119.55 1r9p h ALA 68 Ca -0.03 0.02 0.08 0.00 0.00 0.00 0.00 54.91 54.97 1r9p h ALA 68 Cb 1.33 -0.18 -0.06 0.00 0.00 0.00 0.00 17.79 18.88 1r9p h ALA 68 CO 0.14 0.18 0.60 0.66 0.00 0.00 0.00 179.25 180.83 1r9p h SER 69 N 0.88 0.90 -0.59 0.00 4.64 -1.82 -1.51 113.55 116.05 1r9p h SER 69 Ca 0.40 0.01 0.10 0.00 -0.47 0.00 0.00 61.79 61.83 1r9p h SER 69 Cb 0.30 -0.18 -0.07 0.00 -0.31 0.00 0.00 62.40 62.14 1r9p h SER 69 CO -0.22 0.56 0.20 -1.28 -0.87 0.00 0.00 176.83 175.22 1r9p h SER 70 N 1.02 0.16 -0.27 4.97 0.87 -1.14 0.54 113.55 119.70 1r9p h SER 70 Ca 0.41 0.08 -0.06 0.00 -1.23 0.00 0.00 61.79 61.00 1r9p h SER 70 Cb 0.27 0.08 -0.02 0.00 -0.44 0.00 0.00 62.40 62.29 1r9p h SER 70 CO -0.17 0.10 -0.00 -1.28 -0.53 0.00 0.00 176.83 174.95 1r9p h SER 71 N 0.36 0.56 0.60 6.23 0.87 -1.25 -1.69 113.55 119.23 1r9p h SER 71 Ca 0.30 -0.11 -0.03 0.00 -1.23 0.00 0.00 61.79 60.72 1r9p h SER 71 Cb 0.39 -0.15 0.01 0.00 -0.44 0.00 0.00 62.40 62.21 1r9p h SER 71 CO -0.32 0.63 -0.29 0.25 -0.53 0.00 0.00 176.83 176.57 1r9p h LEU 72 N 0.56 -0.68 -0.21 2.23 5.85 -0.51 -0.47 115.31 122.09 1r9p h LEU 72 Ca 0.12 -0.00 0.02 0.00 0.84 0.00 0.00 57.88 58.86 1r9p h LEU 72 Cb 0.36 0.18 -0.02 0.00 0.37 0.00 0.00 40.66 41.55 1r9p h LEU 72 CO 0.01 -0.44 0.08 -0.29 -0.34 0.00 0.00 178.44 177.46 1r9p h ILE 73 N -0.87 0.96 0.00 4.05 2.10 -1.20 0.18 117.51 122.73 1r9p h ILE 73 Ca -0.08 -0.06 0.00 0.00 1.08 0.00 0.00 64.86 65.80 1r9p h ILE 73 Cb 0.64 0.76 0.00 0.00 -1.09 0.00 0.00 36.82 37.13 1r9p h ILE 73 CO 0.13 0.03 0.00 0.71 -1.08 0.00 0.00 178.15 177.95 1r9p h THR 74 N 0.18 0.00 0.10 2.19 1.35 -1.22 -0.89 112.91 114.61 1r9p h THR 74 Ca 0.09 -0.03 -0.35 0.00 -0.55 0.00 0.00 66.41 65.57 1r9p h THR 74 Cb 0.05 0.83 -0.02 0.00 -1.73 0.00 0.00 68.15 67.27 1r9p h THR 74 CO -0.08 0.00 -1.93 -0.62 -0.25 0.00 0.00 175.52 172.64 1r9p n GLU 75 N -2.75 0.72 0.00 4.72 1.02 0.03 -3.92 120.64 120.46 1r9p n GLU 75 Ca -0.02 0.30 0.10 0.00 -0.02 0.00 0.00 57.16 57.53 1r9p n GLU 75 Cb 0.07 -1.70 0.49 0.00 -0.02 0.00 0.00 31.44 30.29 1r9p n GLU 75 CO 0.00 0.00 0.00 0.91 1.18 0.00 0.00 177.13 179.22 1r9p n TRP 76 N -3.63 0.00 -1.75 -0.32 7.02 0.40 -2.85 117.44 116.31 1r9p n TRP 76 Ca -0.33 0.00 -0.18 0.00 -1.02 0.00 0.00 57.50 55.96 1r9p n TRP 76 Cb 0.98 -0.38 0.09 0.00 -2.42 0.00 0.00 31.31 29.58 1r9p n TRP 76 CO 0.00 0.00 0.00 1.33 -2.02 0.00 0.00 177.69 177.00 1r9p n VAL 77 N -1.38 2.68 -3.49 -0.99 0.24 -0.40 -4.63 118.33 110.35 1r9p n VAL 77 Ca 0.08 -3.60 -0.27 0.00 -2.04 0.00 0.00 64.34 58.51 1r9p n VAL 77 Cb 0.20 -0.87 -0.10 0.00 -1.47 0.00 0.00 33.84 31.60 1r9p n VAL 77 CO 0.00 0.00 0.00 1.17 -2.14 0.00 0.00 176.83 175.86 1r9p n LYS 78 N -0.88 0.79 0.00 7.34 4.81 -1.13 -4.69 118.16 124.40 1r9p n LYS 78 Ca 0.42 -3.59 0.00 0.00 -0.87 0.00 0.00 58.31 54.27 1r9p n LYS 78 Cb 0.91 -1.80 0.00 0.00 0.02 0.00 0.00 35.03 34.16 1r9p n LYS 78 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1r9p n GLY 79 N 2.33 0.66 0.00 3.14 0.00 0.37 -4.96 105.19 106.72 1r9p n GLY 79 Ca 0.26 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.28 1r9p n GLY 79 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1r9p n LYS 80 N 0.00 1.73 -4.54 1.61 5.02 -1.25 -4.80 118.16 115.93 1r9p n LYS 80 Ca 0.00 0.00 -0.26 0.00 -2.02 0.00 0.00 58.31 56.03 1r9p n LYS 80 Cb 0.00 0.00 -0.10 0.00 -0.02 0.00 0.00 35.03 34.91 1r9p n LYS 80 CO 0.00 0.00 0.00 -1.12 -0.52 0.00 0.00 177.40 175.76 1r9p s SER 81 N -1.00 3.71 0.60 4.39 0.01 -1.26 -2.00 113.70 118.15 1r9p s SER 81 Ca 0.00 -1.19 0.31 0.00 1.31 0.00 0.00 55.95 56.38 1r9p s SER 81 Cb 0.00 -0.34 1.82 0.00 0.21 0.00 0.00 66.02 67.71 1r9p s SER 81 CO 0.00 -0.19 2.21 -0.07 0.41 0.00 0.00 173.24 175.60 1r9p h LEU 82 N 2.04 0.00 -0.63 2.44 3.38 -1.80 0.61 115.31 121.35 1r9p h LEU 82 Ca -0.42 0.00 -0.10 0.00 0.09 0.00 0.00 57.88 57.45 1r9p h LEU 82 Cb 1.25 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.99 1r9p h LEU 82 CO 0.70 0.00 -0.46 -0.08 0.09 0.00 0.00 178.44 178.69 1r9p h GLU 83 N 0.00 0.00 0.00 1.13 4.81 -1.91 -0.36 114.58 118.25 1r9p h GLU 83 Ca 0.03 0.00 -0.06 0.00 -0.13 0.00 0.00 59.36 59.19 1r9p h GLU 83 Cb 0.17 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.54 1r9p h GLU 83 CO -0.00 0.46 -0.35 0.93 -0.73 0.00 0.00 179.01 179.32 1r9p h GLU 84 N 0.00 0.00 0.00 1.92 3.07 -1.29 -3.32 114.58 114.96 1r9p h GLU 84 Ca -0.00 0.00 -0.05 0.00 -0.50 0.00 0.00 59.36 58.81 1r9p h GLU 84 Cb 1.09 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 28.99 1r9p h GLU 84 CO 0.06 0.98 -0.22 0.00 -1.40 0.00 0.00 179.01 178.43 1r9p h ALA 85 N -0.16 1.10 -0.35 3.43 0.00 -1.49 -3.06 119.26 118.74 1r9p h ALA 85 Ca -0.10 -0.20 -0.33 0.00 0.00 0.00 0.00 54.91 54.29 1r9p h ALA 85 Cb 1.07 -0.04 -0.12 0.00 0.00 0.00 0.00 17.79 18.70 1r9p h ALA 85 CO -0.06 0.28 0.20 0.41 0.00 0.00 0.00 179.25 180.08 1r9p n GLY 86 N -0.11 3.80 0.00 0.00 0.00 -0.14 -3.75 105.19 104.98 1r9p n GLY 86 Ca -0.01 -1.28 0.00 0.00 0.00 0.00 0.00 46.02 44.73 1r9p n GLY 86 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1r9p n ALA 87 N 1.09 0.69 -1.60 4.61 0.00 -1.16 -4.92 120.51 119.22 1r9p n ALA 87 Ca 0.36 0.00 -0.63 0.00 0.00 0.00 0.00 53.44 53.17 1r9p n ALA 87 Cb 0.62 0.00 -0.09 0.00 0.00 0.00 0.00 19.45 19.98 1r9p n ALA 87 CO 0.00 0.00 0.00 0.44 0.00 0.00 0.00 177.50 177.94 1r9p n ILE 88 N -1.33 0.00 -3.64 0.00 -5.35 -1.24 -4.91 119.36 102.89 1r9p n ILE 88 Ca 0.00 0.00 -0.20 0.00 -0.27 0.00 0.00 62.75 62.28 1r9p n ILE 88 Cb 0.00 -0.30 -0.01 0.00 -1.74 0.00 0.00 39.64 37.59 1r9p n ILE 88 CO 0.00 0.00 0.00 -0.54 -1.76 0.00 0.00 176.55 174.25 1r9p s LYS 89 N 1.82 3.28 0.67 6.28 1.02 -1.26 -4.91 119.74 126.64 1r9p s LYS 89 Ca 0.97 -0.82 0.40 0.00 0.02 0.00 0.00 55.97 56.53 1r9p s LYS 89 Cb -1.37 -2.82 2.17 0.00 -0.52 0.00 0.00 37.83 35.29 1r9p s LYS 89 CO 0.70 0.20 2.22 -2.95 -0.92 0.00 0.00 175.35 174.61 1r9p h ASN 90 N 0.97 0.00 0.60 2.83 -1.07 -1.91 0.10 115.58 117.11 1r9p h ASN 90 Ca -0.49 0.00 -0.22 0.00 0.07 0.00 0.00 56.30 55.66 1r9p h ASN 90 Cb 1.24 0.00 -0.01 0.00 -2.07 0.00 0.00 38.32 37.49 1r9p h ASN 90 CO 0.57 0.00 -1.00 0.77 0.07 0.00 0.00 177.43 177.84 1r9p h SER 91 N 0.00 0.32 -0.82 6.14 4.64 -1.95 -2.51 113.55 119.36 1r9p h SER 91 Ca 0.00 -0.29 0.18 0.00 -0.47 0.00 0.00 61.79 61.21 1r9p h SER 91 Cb 0.23 -0.10 -0.11 0.00 -0.31 0.00 0.00 62.40 62.11 1r9p h SER 91 CO -0.00 1.14 0.33 1.56 -0.87 0.00 0.00 176.83 179.00 1r9p h GLN 92 N 0.11 0.41 0.08 4.77 7.50 -1.15 0.23 115.11 127.05 1r9p h GLN 92 Ca -0.07 -0.02 -0.26 0.00 0.50 0.00 0.00 58.65 58.79 1r9p h GLN 92 Cb 1.68 -0.09 -0.01 0.00 0.05 0.00 0.00 27.48 29.10 1r9p h GLN 92 CO 0.16 0.27 -1.26 0.82 -1.50 0.00 0.00 178.83 177.32 1r9p h ILE 93 N 0.42 1.45 0.00 2.54 1.08 -1.64 -2.52 117.51 118.84 1r9p h ILE 93 Ca 0.48 -3.09 0.00 0.00 -0.39 0.00 0.00 64.86 61.86 1r9p h ILE 93 Cb 0.81 2.84 0.00 0.00 -3.07 0.00 0.00 36.82 37.41 1r9p h ILE 93 CO -0.47 0.88 0.00 0.00 -0.69 0.00 0.00 178.15 177.87 1r9p n ALA 94 N -2.51 1.42 -0.10 1.87 0.00 0.12 -2.01 120.51 119.30 1r9p n ALA 94 Ca -0.08 0.05 -0.13 0.00 0.00 0.00 0.00 53.44 53.28 1r9p n ALA 94 Cb 1.01 -1.26 -0.11 0.00 0.00 0.00 0.00 19.45 19.09 1r9p n ALA 94 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 1r9p n GLU 95 N -1.90 0.72 0.12 0.00 4.07 0.57 -2.80 120.64 121.43 1r9p n GLU 95 Ca 0.01 0.09 -0.13 0.00 -0.06 0.00 0.00 57.16 57.07 1r9p n GLU 95 Cb 0.13 -1.43 -0.08 0.00 -0.06 0.00 0.00 31.44 30.00 1r9p n GLU 95 CO 0.00 0.00 0.00 1.49 -0.06 0.00 0.00 177.13 178.56 1r9p h GLU 96 N 0.00 -0.30 0.00 5.31 4.57 -1.20 -3.29 114.58 119.67 1r9p h GLU 96 Ca -0.47 0.02 -0.12 0.00 -1.18 0.00 0.00 59.36 57.61 1r9p h GLU 96 Cb 1.82 0.07 -0.02 0.00 -0.16 0.00 0.00 28.75 30.45 1r9p h GLU 96 CO -0.05 -0.00 -1.46 1.28 -1.18 0.00 0.00 179.01 177.59 1r9p n LEU 97 N -5.10 0.68 -3.43 1.64 4.32 -0.85 -5.01 117.00 109.26 1r9p n LEU 97 Ca -0.09 0.29 -0.14 0.00 -0.02 0.00 0.00 56.01 56.05 1r9p n LEU 97 Cb 0.23 0.07 0.01 0.00 -1.62 0.00 0.00 43.42 42.11 1r9p n LEU 97 CO 0.32 0.07 0.06 1.21 -1.22 0.00 0.00 177.39 177.83 1r9p n GLU 98 N -2.75 -1.41 -3.73 3.23 4.07 -1.12 -4.96 120.64 113.97 1r9p n GLU 98 Ca -0.08 1.06 -0.34 0.00 -0.06 0.00 0.00 57.16 57.74 1r9p n GLU 98 Cb 0.76 -4.24 -0.05 0.00 -0.06 0.00 0.00 31.44 27.85 1r9p n GLU 98 CO 0.00 0.00 0.00 -0.48 -0.06 0.00 0.00 177.13 176.59 1r9p s LEU 99 N -4.75 4.34 0.41 4.31 2.34 -1.26 -5.03 118.68 119.03 1r9p s LEU 99 Ca 0.08 0.57 -0.20 0.00 0.06 0.00 0.00 54.13 54.64 1r9p s LEU 99 Cb -0.03 -2.89 -0.15 0.00 -0.56 0.00 0.00 46.19 42.56 1r9p s LEU 99 CO 0.82 0.19 0.06 -2.65 -1.06 0.00 0.00 176.35 173.70 1r9p n PRO 100 N 0.77 0.00 0.00 1.48 -0.02 -1.26 -4.77 135.00 131.19 1r9p n PRO 100 Ca -0.08 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.40 1r9p n PRO 100 Cb 0.52 -0.98 0.03 0.00 -0.02 0.00 0.00 33.50 33.05 1r9p n PRO 100 CO 0.00 0.00 0.00 -0.35 1.98 0.00 0.00 175.50 177.13 1r9p n PRO 101 N 1.33 0.65 -0.03 0.52 -0.04 -1.26 -3.02 135.00 133.15 1r9p n PRO 101 Ca 0.11 0.00 -0.12 0.00 -0.04 0.00 0.00 63.50 63.44 1r9p n PRO 101 Cb 0.40 -1.02 -0.14 0.00 -0.04 0.00 0.00 33.50 32.70 1r9p n PRO 101 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 1r9p n VAL 102 N -0.52 1.62 -1.34 0.52 0.31 -1.26 -4.13 118.33 113.53 1r9p n VAL 102 Ca 0.01 -0.76 -0.15 0.00 -0.01 0.00 0.00 64.34 63.43 1r9p n VAL 102 Cb 0.00 -1.16 0.19 0.00 -0.91 0.00 0.00 33.84 31.96 1r9p n VAL 102 CO 0.00 0.00 0.00 0.29 -1.32 0.00 0.00 176.83 175.80 1r9p n LYS 103 N -3.13 2.06 -0.15 5.55 4.01 -1.17 -4.68 118.16 120.65 1r9p n LYS 103 Ca -0.24 -3.10 0.27 0.00 -0.51 0.00 0.00 58.31 54.72 1r9p n LYS 103 Cb 1.06 -2.01 0.50 0.00 -0.51 0.00 0.00 35.03 34.06 1r9p n LYS 103 CO 0.00 0.00 0.00 0.28 -1.11 0.00 0.00 177.40 176.57 1r9p h VAL 104 N 1.00 0.07 -1.00 -0.18 2.07 -1.72 0.48 116.25 116.97 1r9p h VAL 104 Ca 0.45 0.00 0.18 0.00 0.82 0.00 0.00 66.70 68.15 1r9p h VAL 104 Cb 2.32 0.13 -0.10 0.00 -1.52 0.00 0.00 31.29 32.12 1r9p h VAL 104 CO 0.78 0.00 0.62 1.12 0.02 0.00 0.00 177.57 180.11 1r9p h HIS 105 N 0.00 1.05 -0.19 1.57 2.07 -1.94 -1.83 115.15 115.88 1r9p h HIS 105 Ca 0.43 0.03 0.03 0.00 -2.85 0.00 0.00 60.37 58.02 1r9p h HIS 105 Cb 2.58 -0.32 -0.07 0.00 2.57 0.00 0.00 27.41 32.17 1r9p h HIS 105 CO 0.00 0.28 -0.53 0.00 -3.07 0.00 0.00 177.93 174.61 1r9p h SER 107 N -0.52 -1.06 -0.29 0.00 0.02 -1.55 -0.96 113.55 109.19 1r9p h SER 107 Ca 0.04 0.05 0.08 0.00 -0.84 0.00 0.00 61.79 61.12 1r9p h SER 107 Cb 0.64 0.29 -0.01 0.00 0.14 0.00 0.00 62.40 63.45 1r9p h SER 107 CO -0.46 -0.71 0.75 0.40 -1.14 0.00 0.00 176.83 175.67 1r9p h ILE 108 N -1.17 0.07 0.21 3.27 2.04 -1.02 0.65 117.51 121.57 1r9p h ILE 108 Ca -0.11 0.00 -0.01 0.00 1.00 0.00 0.00 64.86 65.74 1r9p h ILE 108 Cb 0.91 0.31 0.00 0.00 -0.74 0.00 0.00 36.82 37.30 1r9p h ILE 108 CO 0.16 0.00 -0.10 0.25 0.00 0.00 0.00 178.15 178.46 1r9p h LEU 109 N 0.00 -0.24 -0.15 1.44 5.85 0.81 -0.04 115.31 122.98 1r9p h LEU 109 Ca 0.14 -0.17 0.05 0.00 0.84 0.00 0.00 57.88 58.73 1r9p h LEU 109 Cb 1.64 0.06 -0.05 0.00 0.37 0.00 0.00 40.66 42.68 1r9p h LEU 109 CO -0.00 0.28 -0.19 0.00 -0.34 0.00 0.00 178.44 178.18 1r9p h ALA 110 N -0.76 -0.12 0.62 1.25 0.00 -0.62 0.14 119.26 119.78 1r9p h ALA 110 Ca -0.03 0.05 -0.03 0.00 0.00 0.00 0.00 54.91 54.90 1r9p h ALA 110 Cb 0.40 0.39 0.01 0.00 0.00 0.00 0.00 17.79 18.58 1r9p h ALA 110 CO 0.05 -0.64 -0.30 1.49 0.00 0.00 0.00 179.25 179.85 1r9p h GLU 111 N -0.23 -0.81 -0.95 0.00 4.22 -1.54 -2.75 114.58 112.53 1r9p h GLU 111 Ca 0.11 0.06 0.29 0.00 0.08 0.00 0.00 59.36 59.89 1r9p h GLU 111 Cb 0.39 0.18 -0.16 0.00 0.50 0.00 0.00 28.75 29.66 1r9p h GLU 111 CO -0.29 -0.54 0.30 0.22 -2.18 0.00 0.00 179.01 176.53 1r9p h ASP 112 N -1.00 0.04 0.04 1.04 1.82 -0.91 0.24 116.42 117.69 1r9p h ASP 112 Ca -0.09 0.23 0.03 0.00 -0.39 0.00 0.00 57.03 56.81 1r9p h ASP 112 Cb 0.64 0.30 -0.04 0.00 0.68 0.00 0.00 39.33 40.91 1r9p h ASP 112 CO 0.14 -0.25 -0.27 0.00 -1.61 0.00 0.00 179.24 177.25 1r9p h ALA 113 N 1.88 -0.40 -0.92 -0.78 0.00 -0.56 -0.00 119.26 118.48 1r9p h ALA 113 Ca 0.65 -0.02 0.24 0.00 0.00 0.00 0.00 54.91 55.78 1r9p h ALA 113 Cb 1.46 0.47 -0.13 0.00 0.00 0.00 0.00 17.79 19.58 1r9p h ALA 113 CO -0.73 -0.79 0.41 0.97 0.00 0.00 0.00 179.25 179.11 1r9p h ILE 114 N -0.44 0.44 -0.23 0.00 6.09 -0.23 0.67 117.51 123.81 1r9p h ILE 114 Ca 0.05 -0.13 -0.11 0.00 -1.37 0.00 0.00 64.86 63.30 1r9p h ILE 114 Cb 0.50 0.02 -0.01 0.00 0.47 0.00 0.00 36.82 37.80 1r9p h ILE 114 CO -0.21 0.07 -0.33 0.11 -3.07 0.00 0.00 178.15 174.72 1r9p h LYS 115 N 0.38 0.49 0.73 2.19 1.57 -0.88 -2.69 116.57 118.36 1r9p h LYS 115 Ca 0.59 -0.21 -0.04 0.00 -1.87 0.00 0.00 60.65 59.12 1r9p h LYS 115 Cb 1.16 -0.01 0.01 0.00 0.08 0.00 0.00 32.23 33.46 1r9p h LYS 115 CO -0.55 0.76 -0.35 0.00 -0.57 0.00 0.00 179.45 178.73 1r9p h ALA 116 N 1.23 -0.98 -0.89 3.86 0.00 0.21 -0.22 119.26 122.47 1r9p h ALA 116 Ca 0.05 -0.23 0.19 0.00 0.00 0.00 0.00 54.91 54.93 1r9p h ALA 116 Cb 0.78 0.38 -0.11 0.00 0.00 0.00 0.00 17.79 18.84 1r9p h ALA 116 CO 0.06 -0.97 0.43 0.00 0.00 0.00 0.00 179.25 178.77 1r9p h ALA 117 N -1.00 1.41 -0.13 0.00 0.00 -1.23 0.01 119.26 118.33 1r9p h ALA 117 Ca -0.10 0.13 -0.01 0.00 0.00 0.00 0.00 54.91 54.93 1r9p h ALA 117 Cb 0.78 0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.63 1r9p h ALA 117 CO 0.17 -0.23 0.04 0.82 0.00 0.00 0.00 179.25 180.04 1r9p h ILE 118 N 0.51 1.17 -0.98 0.00 2.04 -1.28 -1.43 117.51 117.53 1r9p h ILE 118 Ca 0.53 -0.52 0.21 0.00 1.00 0.00 0.00 64.86 66.09 1r9p h ILE 118 Cb 0.92 1.28 -0.09 0.00 -0.74 0.00 0.00 36.82 38.18 1r9p h ILE 118 CO -0.46 0.15 0.62 0.00 0.00 0.00 0.00 178.15 178.47 1r9p h ALA 119 N 0.87 1.95 -0.18 1.87 0.00 0.85 0.23 119.26 124.85 1r9p h ALA 119 Ca 0.04 0.06 -0.20 0.00 0.00 0.00 0.00 54.91 54.81 1r9p h ALA 119 Cb 0.20 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.95 1r9p h ALA 119 CO -0.00 -0.31 -0.68 0.22 0.00 0.00 0.00 179.25 178.48 1r9p h ASP 120 N 0.58 0.82 0.10 0.00 1.82 -0.86 -1.02 116.42 117.86 1r9p h ASP 120 Ca 0.55 -0.50 -0.08 0.00 -0.39 0.00 0.00 57.03 56.61 1r9p h ASP 120 Cb 1.11 -0.24 -0.01 0.00 0.68 0.00 0.00 39.33 40.87 1r9p h ASP 120 CO -0.31 1.27 -0.27 0.22 -1.61 0.00 0.00 179.24 178.55 1r9p h TYR 121 N 0.51 0.31 0.14 0.28 3.20 0.39 -2.83 116.97 118.96 1r9p h TYR 121 Ca -0.02 -0.06 -0.30 0.00 3.14 0.00 0.00 58.73 61.48 1r9p h TYR 121 Cb 1.28 -0.08 0.03 0.00 1.54 0.00 0.00 36.73 39.51 1r9p h TYR 121 CO 0.07 0.53 -1.28 0.87 -1.64 0.00 0.00 178.16 176.71 1r9p h LYS 122 N 0.25 0.61 -0.05 1.82 1.57 -0.70 -3.22 116.57 116.85 1r9p h LYS 122 Ca 0.04 -0.84 0.04 0.00 -1.87 0.00 0.00 60.65 58.02 1r9p h LYS 122 Cb 0.61 0.28 -0.05 0.00 0.08 0.00 0.00 32.23 33.15 1r9p h LYS 122 CO 0.04 1.39 -0.31 0.00 -0.57 0.00 0.00 179.45 180.00 1r9p h ALA 123 N 0.28 -0.40 0.00 3.86 0.00 -0.99 0.72 119.26 122.73 1r9p h ALA 123 Ca -0.20 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.71 1r9p h ALA 123 Cb 1.95 0.56 0.00 0.00 0.00 0.00 0.00 17.79 20.30 1r9p h ALA 123 CO 0.24 -0.80 0.00 1.63 0.00 0.00 0.00 179.25 180.32 1r9p n LYS 124 N -5.40 0.31 -2.92 0.00 5.02 -1.09 -3.28 118.16 110.79 1r9p n LYS 124 Ca -0.04 0.00 -0.13 0.00 -2.02 0.00 0.00 58.31 56.11 1r9p n LYS 124 Cb 0.32 -1.50 0.03 0.00 -0.02 0.00 0.00 35.03 33.86 1r9p n LYS 124 CO 0.00 0.00 0.00 0.94 -0.52 0.00 0.00 177.40 177.82 1r9p n GLN 125 N -1.00 0.92 0.00 1.97 7.27 0.23 -4.80 117.38 121.96 1r9p n GLN 125 Ca 0.07 -2.46 0.00 0.00 0.07 0.00 0.00 57.00 54.68 1r9p n GLN 125 Cb 0.03 -1.33 0.00 0.00 2.41 0.00 0.00 30.24 31.36 1r9p n GLN 125 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 1r9p n GLY 126 N 0.74 -0.05 0.33 1.69 0.00 0.25 -4.72 105.19 103.43 1r9p n GLY 126 Ca 0.14 -0.02 0.10 0.00 0.00 0.00 0.00 46.02 46.24 1r9p n GLY 126 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1r9p h LEU 127 N 0.00 -0.58-10.34 0.99 5.85 -1.74 -3.39 115.31 106.10 1r9p h LEU 127 Ca 0.00 0.27 -0.47 0.00 0.84 0.00 0.00 57.88 58.51 1r9p h LEU 127 Cb 0.00 0.49 0.15 0.00 0.37 0.00 0.00 40.66 41.67 1r9p h LEU 127 CO 0.00 -0.31 0.23 -0.70 -0.34 0.00 0.00 178.44 177.33 1r9p s GLU 128 N -6.11 1.04 0.00 1.25 2.12 -1.26 -5.06 118.70 110.68 1r9p s GLU 128 Ca -0.14 0.75 0.00 0.00 0.36 0.00 0.00 54.97 55.94 1r9p s GLU 128 Cb 0.27 -1.79 0.00 0.00 0.26 0.00 0.00 34.13 32.87 1r9p s GLU 128 CO 0.77 -2.37 0.00 0.72 -0.54 0.00 0.00 175.26 173.84 1r9p n HIS 129 N -3.96 0.00 -2.77 5.30 8.25 -1.26 -5.11 115.22 115.67 1r9p n HIS 129 Ca 0.07 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.53 1r9p n HIS 129 Cb 0.56 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.67 1r9p n HIS 129 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70 1r9p n HIS 130 N 0.00 -1.85 -3.75 4.41 8.25 -1.26 -5.02 115.22 116.00 1r9p n HIS 130 Ca 0.00 0.00 -0.25 0.00 -0.26 0.00 0.00 57.72 57.21 1r9p n HIS 130 Cb 0.00 0.00 -0.17 0.00 1.12 0.00 0.00 29.99 30.94 1r9p n HIS 130 CO 0.00 0.00 0.00 -1.58 0.64 0.00 0.00 176.34 175.40 1r9p s HIS 131 N 1.17 0.79 -0.47 4.41 2.46 -1.26 -5.07 115.29 117.32 1r9p s HIS 131 Ca 0.00 -0.44 0.03 0.00 0.47 0.00 0.00 55.06 55.11 1r9p s HIS 131 Cb 0.00 -0.89 0.15 0.00 -0.13 0.00 0.00 32.58 31.71 1r9p s HIS 131 CO 0.00 -0.45 0.31 -1.01 -2.47 0.00 0.00 174.74 171.13 1r9p s HIS 132 N 1.93 1.85 -0.09 3.88 3.76 -1.26 -5.09 115.29 120.27 1r9p s HIS 132 Ca 0.03 -2.46 -0.39 0.00 -0.15 0.00 0.00 55.06 52.08 1r9p s HIS 132 Cb -0.14 -1.62 -0.17 0.00 1.11 0.00 0.00 32.58 31.75 1r9p s HIS 132 CO -0.07 -0.76 1.43 -2.39 -0.85 0.00 0.00 174.74 172.11 1r9p n HIS 133 N 3.11 1.54 1.56 1.40 1.44 -1.26 -5.35 115.22 117.66 1r9p n HIS 133 Ca 0.17 0.74 0.14 0.00 -2.01 0.00 0.00 57.72 56.76 1r9p n HIS 133 Cb 0.39 -2.31 0.58 0.00 0.12 0.00 0.00 29.99 28.76 1r9p n HIS 133 CO 0.00 0.00 0.00 0.72 -2.81 0.00 0.00 176.34 174.25