#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 0.00 -0.08 -5.12 0.00 -1.26 -5.08 120.51 108.97 1r9p n ALA 2 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1r9p n ALA 2 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 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 0.00 -0.22 0.40 0.00 4.19 -1.26 -4.52 117.16 115.75 1r9p n TYR 3 Ca 0.00 0.11 0.00 0.00 3.31 0.00 0.00 57.90 61.32 1r9p n TYR 3 Cb 0.00 -1.54 0.00 0.00 0.49 0.00 0.00 39.34 38.29 1r9p n TYR 3 CO 0.00 0.00 0.00 0.45 0.91 0.00 0.00 176.86 178.22 1r9p n SER 4 N -0.52 0.38 -4.73 2.98 2.88 -1.26 -4.82 113.62 108.53 1r9p n SER 4 Ca 0.00 -0.78 -0.38 0.00 -1.33 0.00 0.00 58.87 56.38 1r9p n SER 4 Cb 0.00 -0.19 0.05 0.00 -0.75 0.00 0.00 64.21 63.32 1r9p n SER 4 CO 0.00 0.00 0.00 1.21 -1.23 0.00 0.00 175.04 175.02 1r9p n GLU 5 N 0.29 1.55 -2.71 -1.46 2.13 -1.26 -4.97 120.64 114.21 1r9p n GLU 5 Ca 0.00 0.58 -0.06 0.00 0.66 0.00 0.00 57.16 58.34 1r9p n GLU 5 Cb 0.10 -2.54 0.05 0.00 0.27 0.00 0.00 31.44 29.31 1r9p n GLU 5 CO 0.00 0.00 0.00 1.17 -0.41 0.00 0.00 177.13 177.89 1r9p n LYS 6 N -1.16 0.43 -2.91 5.31 3.00 -1.26 -5.05 118.16 116.52 1r9p n LYS 6 Ca 0.12 -1.28 -0.36 0.00 -0.00 0.00 0.00 58.31 56.78 1r9p n LYS 6 Cb 0.45 -0.82 -0.01 0.00 0.00 0.00 0.00 35.03 34.65 1r9p n LYS 6 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.40 177.68 1r9p n VAL 7 N 1.89 4.72 -0.14 3.15 0.31 -1.26 -4.88 118.33 122.13 1r9p n VAL 7 Ca 0.08 -5.78 -0.01 0.00 -0.01 0.00 0.00 64.34 58.62 1r9p n VAL 7 Cb 0.65 -1.73 -0.02 0.00 -0.91 0.00 0.00 33.84 31.83 1r9p n VAL 7 CO 0.00 0.00 0.00 2.30 -1.32 0.00 0.00 176.83 177.81 1r9p n ILE 8 N 0.38 0.47 -1.16 2.52 -5.35 -1.26 -4.54 119.36 110.41 1r9p n ILE 8 Ca 0.36 -0.19 0.00 0.00 -0.27 0.00 0.00 62.75 62.65 1r9p n ILE 8 Cb 0.33 -1.34 0.00 0.00 -1.74 0.00 0.00 39.64 36.89 1r9p n ILE 8 CO 0.00 0.00 0.00 0.47 -1.76 0.00 0.00 176.55 175.26 1r9p n ASP 9 N 2.39 0.18 -4.97 7.28 9.92 -1.26 -5.17 116.55 124.92 1r9p n ASP 9 Ca 0.04 0.00 -0.23 0.00 -0.53 0.00 0.00 54.79 54.07 1r9p n ASP 9 Cb 0.13 0.00 0.03 0.00 -0.64 0.00 0.00 41.12 40.64 1r9p n ASP 9 CO 0.00 0.00 0.00 -2.28 0.13 0.00 0.00 177.20 175.05 1r9p s HIS 10 N 1.21 1.53 -0.87 1.24 2.46 -1.26 -4.99 115.29 114.60 1r9p s HIS 10 Ca 0.00 -0.77 0.24 0.00 0.47 0.00 0.00 55.06 55.00 1r9p s HIS 10 Cb 0.00 -2.07 0.97 0.00 -0.13 0.00 0.00 32.58 31.35 1r9p s HIS 10 CO 0.00 -0.82 1.76 0.66 -2.47 0.00 0.00 174.74 173.87 1r9p n TYR 11 N -2.01 0.31 -2.13 3.88 4.02 -1.26 -4.99 117.16 114.98 1r9p n TYR 11 Ca 0.07 0.10 0.00 0.00 -0.01 0.00 0.00 57.90 58.07 1r9p n TYR 11 Cb 0.63 -0.66 0.00 0.00 -0.02 0.00 0.00 39.34 39.28 1r9p n TYR 11 CO 0.00 0.00 0.00 0.39 -1.01 0.00 0.00 176.86 176.24 1r9p n GLU 12 N -1.76 -3.45 -3.11 -0.72 1.02 -1.26 -4.58 120.64 106.78 1r9p n GLU 12 Ca 0.05 2.47 -0.18 0.00 -0.02 0.00 0.00 57.16 59.49 1r9p n GLU 12 Cb 0.31 -3.14 0.02 0.00 -0.02 0.00 0.00 31.44 28.61 1r9p n GLU 12 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 1r9p n ASN 13 N 1.88 -6.93 -3.57 1.62 3.02 -1.26 -4.92 115.26 105.10 1r9p n ASN 13 Ca 0.00 0.38 -0.16 0.00 -0.03 0.00 0.00 54.58 54.77 1r9p n ASN 13 Cb 0.00 -3.64 0.14 0.00 -0.61 0.00 0.00 39.78 35.67 1r9p n ASN 13 CO 0.00 0.00 0.00 -2.65 -2.62 0.00 0.00 177.26 171.99 1r9p n PRO 14 N 0.03 -2.23 -3.79 3.52 -0.02 -1.26 -5.04 135.00 126.21 1r9p n PRO 14 Ca 0.02 -0.66 -0.13 0.00 -2.02 0.00 0.00 63.50 60.71 1r9p n PRO 14 Cb 0.49 -1.44 -0.11 0.00 -0.02 0.00 0.00 33.50 32.42 1r9p n PRO 14 CO 0.00 0.00 0.00 0.50 1.98 0.00 0.00 175.50 177.98 1r9p s ARG 15 N -3.42 0.32 -0.10 -0.52 3.52 -1.26 -5.01 118.95 112.47 1r9p s ARG 15 Ca 0.34 0.28 -0.01 0.00 -0.13 0.00 0.00 55.73 56.21 1r9p s ARG 15 Cb -0.06 0.15 -0.02 0.00 -1.56 0.00 0.00 34.95 33.47 1r9p s ARG 15 CO 0.30 -0.05 1.07 -1.71 -0.81 0.00 0.00 175.30 174.11 1r9p n ASN 16 N 2.78 0.87 -4.52 -2.12 2.85 -1.26 -4.79 115.26 109.07 1r9p n ASN 16 Ca -0.14 -1.86 -0.26 0.00 -0.11 0.00 0.00 54.58 52.22 1r9p n ASN 16 Cb 0.58 -0.41 -0.14 0.00 1.24 0.00 0.00 39.78 41.05 1r9p n ASN 16 CO 0.00 0.00 0.00 0.52 -2.11 0.00 0.00 177.26 175.67 1r9p n VAL 17 N 3.93 -0.01 0.00 3.44 0.31 -1.26 -4.68 118.33 120.05 1r9p n VAL 17 Ca 0.08 -0.44 0.00 0.00 -0.01 0.00 0.00 64.34 63.97 1r9p n VAL 17 Cb 0.07 -1.08 0.00 0.00 -0.91 0.00 0.00 33.84 31.92 1r9p n VAL 17 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1r9p n GLY 18 N 6.15 2.03 1.98 2.92 0.00 -1.26 -5.14 105.19 111.87 1r9p n GLY 18 Ca 0.57 -0.75 0.00 0.00 0.00 0.00 0.00 46.02 45.84 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 0.00 -7.61 0.00 1.61 2.88 -1.26 -5.04 113.62 104.20 1r9p n SER 19 Ca 0.00 1.35 0.00 0.00 -1.33 0.00 0.00 58.87 58.89 1r9p n SER 19 Cb 0.00 -4.56 0.00 0.00 -0.75 0.00 0.00 64.21 58.90 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 1.60 0.00 -4.18 2.46 4.77 -1.26 -5.06 117.00 115.34 1r9p n LEU 20 Ca 0.00 0.00 -0.34 0.00 -0.03 0.00 0.00 56.01 55.64 1r9p n LEU 20 Cb 0.00 0.00 -0.15 0.00 -2.33 0.00 0.00 43.42 40.94 1r9p n LEU 20 CO 0.00 0.00 -0.47 -1.81 -1.33 0.00 0.00 177.39 173.78 1r9p s ASP 21 N -0.13 3.67 0.32 -1.43 1.11 -1.26 -4.97 116.67 113.98 1r9p s ASP 21 Ca 0.00 -0.66 0.22 0.00 0.18 0.00 0.00 52.55 52.29 1r9p s ASP 21 Cb 0.00 -1.57 1.11 0.00 1.07 0.00 0.00 42.92 43.52 1r9p s ASP 21 CO 0.00 -0.04 1.19 0.29 1.18 0.00 0.00 175.17 177.80 1r9p n LYS 22 N 4.66 -0.03 -0.68 8.23 5.02 -1.26 0.14 118.16 134.24 1r9p n LYS 22 Ca -0.19 0.98 -0.04 0.00 -2.02 0.00 0.00 58.31 57.04 1r9p n LYS 22 Cb 0.49 -1.89 -0.05 0.00 -0.02 0.00 0.00 35.03 33.56 1r9p n LYS 22 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 1r9p n LYS 23 N -4.35 1.34 -4.07 1.97 4.01 -1.26 -4.85 118.16 110.94 1r9p n LYS 23 Ca 0.30 -0.38 -0.32 0.00 -0.51 0.00 0.00 58.31 57.40 1r9p n LYS 23 Cb 1.14 -1.34 -0.07 0.00 -0.51 0.00 0.00 35.03 34.26 1r9p n LYS 23 CO 0.00 0.00 0.00 0.34 -1.11 0.00 0.00 177.40 176.63 1r9p s ASP 24 N 1.92 5.67 0.00 4.39 2.15 0.37 -4.99 116.67 126.18 1r9p s ASP 24 Ca 0.22 0.10 0.18 0.00 0.43 0.00 0.00 52.55 53.48 1r9p s ASP 24 Cb 0.11 -1.60 0.63 0.00 -0.30 0.00 0.00 42.92 41.76 1r9p s ASP 24 CO -0.00 0.23 1.47 -1.20 -0.17 0.00 0.00 175.17 175.50 1r9p n SER 25 N 0.88 1.73 -0.20 -0.34 7.64 -1.26 -3.57 113.62 118.50 1r9p n SER 25 Ca -0.11 -1.79 0.03 0.00 1.01 0.00 0.00 58.87 58.02 1r9p n SER 25 Cb 0.52 -0.14 0.01 0.00 -1.01 0.00 0.00 64.21 63.59 1r9p n SER 25 CO 0.00 0.00 0.00 0.59 -3.01 0.00 0.00 175.04 172.62 1r9p n ASN 26 N 0.38 1.22 -4.08 6.43 4.13 -1.26 -4.93 115.26 117.15 1r9p n ASN 26 Ca 0.15 -1.11 -0.32 0.00 1.68 0.00 0.00 54.58 54.98 1r9p n ASN 26 Cb 0.32 0.27 -0.16 0.00 -1.54 0.00 0.00 39.78 38.67 1r9p n ASN 26 CO 0.00 0.00 0.00 -0.69 0.28 0.00 0.00 177.26 176.85 1r9p s VAL 27 N -0.84 1.96 -0.22 2.41 1.01 -1.23 -2.50 120.40 120.99 1r9p s VAL 27 Ca 0.06 -1.03 -0.09 0.00 0.00 0.00 0.00 61.98 60.92 1r9p s VAL 27 Cb 0.05 -1.86 -0.05 0.00 0.00 0.00 0.00 36.38 34.53 1r9p s VAL 27 CO 0.13 0.38 0.12 -0.83 0.00 0.00 0.00 175.10 174.90 1r9p s GLY 28 N 1.30 1.96 0.12 4.51 0.00 -0.99 -4.72 107.32 109.49 1r9p s GLY 28 Ca 0.02 -0.83 0.07 0.00 0.00 0.00 0.00 44.72 43.98 1r9p s GLY 28 CO -0.11 0.27 -0.07 -1.59 0.00 0.00 0.00 173.10 171.60 1r9p s THR 29 N 0.78 3.51 0.03 0.90 2.01 -1.26 -1.65 115.64 119.96 1r9p s THR 29 Ca 0.06 -1.29 -0.10 0.00 0.31 0.00 0.00 61.69 60.67 1r9p s THR 29 Cb -0.13 -2.68 0.01 0.00 0.01 0.00 0.00 72.50 69.71 1r9p s THR 29 CO 0.02 0.05 0.21 -0.83 -0.69 0.00 0.00 174.62 173.38 1r9p s GLY 30 N -2.41 0.01 -0.03 4.40 0.00 -0.40 -4.02 107.32 104.88 1r9p s GLY 30 Ca 0.23 -0.20 -0.03 0.00 0.00 0.00 0.00 44.72 44.73 1r9p s GLY 30 CO 0.15 -0.37 0.08 -0.29 0.00 0.00 0.00 173.10 172.67 1r9p s MET 31 N -2.33 0.14 0.27 2.90 1.75 -1.26 -1.54 119.30 119.22 1r9p s MET 31 Ca -0.07 0.04 0.05 0.00 -1.25 0.00 0.00 55.69 54.47 1r9p s MET 31 Cb -0.02 0.06 -0.06 0.00 2.84 0.00 0.00 34.83 37.65 1r9p s MET 31 CO -0.03 -0.02 -0.02 0.14 -0.65 0.00 0.00 175.02 174.44 1r9p s VAL 32 N -0.13 1.37 0.10 10.11 -7.23 -0.75 -4.99 120.40 118.88 1r9p s VAL 32 Ca -0.02 -2.07 0.09 0.00 -1.81 0.00 0.00 61.98 58.18 1r9p s VAL 32 Cb -0.02 -2.48 -0.03 0.00 0.56 0.00 0.00 36.38 34.41 1r9p s VAL 32 CO 0.00 -0.26 -0.24 -0.83 -0.31 0.00 0.00 175.10 173.46 1r9p s GLY 33 N -3.41 1.39 -0.42 2.32 0.00 -1.26 -2.02 107.32 103.93 1r9p s GLY 33 Ca 0.30 -1.32 0.05 0.00 0.00 0.00 0.00 44.72 43.75 1r9p s GLY 33 CO 0.11 -1.29 0.39 0.00 0.00 0.00 0.00 173.10 172.32 1r9p n ALA 34 N 1.21 2.38 0.00 3.20 0.00 0.43 -4.93 120.51 122.80 1r9p n ALA 34 Ca -0.18 -2.93 0.00 0.00 0.00 0.00 0.00 53.44 50.33 1r9p n ALA 34 Cb 0.53 -0.82 0.00 0.00 0.00 0.00 0.00 19.45 19.16 1r9p n ALA 34 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 1r9p n PRO 35 N 2.73 0.00 0.00 0.00 -0.02 -1.26 -1.65 135.00 134.80 1r9p n PRO 35 Ca 0.28 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.76 1r9p n PRO 35 Cb 0.49 -0.97 0.00 0.00 -0.02 0.00 0.00 33.50 33.01 1r9p n PRO 35 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1r9p n ALA 36 N -0.15 1.10 0.00 3.55 0.00 -1.26 -5.00 120.51 118.74 1r9p n ALA 36 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 53.44 53.43 1r9p n ALA 36 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 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 0.00 0.00 0.00 0.00 -1.68 -2.69 103.07 98.70 1r9p h GLY 38 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1r9p h GLY 38 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 176.54 177.88 1r9p n ASP 39 N -2.76 0.00 -4.60 0.19 2.03 -0.66 -3.57 116.55 107.19 1r9p n ASP 39 Ca -0.02 0.00 -0.42 0.00 0.52 0.00 0.00 54.79 54.87 1r9p n ASP 39 Cb 0.28 0.00 -0.05 0.00 -0.72 0.00 0.00 41.12 40.63 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 0.00 4.75 0.21 5.18 -7.23 -1.25 -0.43 120.40 121.63 1r9p s VAL 40 Ca 0.00 1.01 0.06 0.00 -1.81 0.00 0.00 61.98 61.24 1r9p s VAL 40 Cb 0.00 -4.19 -0.04 0.00 0.56 0.00 0.00 36.38 32.71 1r9p s VAL 40 CO 0.00 -0.37 0.14 -0.32 -0.31 0.00 0.00 175.10 174.24 1r9p s MET 41 N 3.06 2.82 -0.07 4.82 1.75 -0.85 -4.33 119.30 126.49 1r9p s MET 41 Ca 0.32 -1.01 -0.03 0.00 -1.25 0.00 0.00 55.69 53.72 1r9p s MET 41 Cb -0.13 -2.55 0.04 0.00 2.84 0.00 0.00 34.83 35.03 1r9p s MET 41 CO 0.15 0.44 0.16 -1.14 -0.65 0.00 0.00 175.02 173.98 1r9p s GLN 42 N -3.44 0.11 0.11 4.11 0.74 -1.00 -1.80 119.66 118.48 1r9p s GLN 42 Ca 0.31 0.38 0.08 0.00 0.05 0.00 0.00 55.36 56.19 1r9p s GLN 42 Cb -0.09 -0.17 -0.04 0.00 1.10 0.00 0.00 33.01 33.82 1r9p s GLN 42 CO 0.23 -0.16 -0.20 -1.17 -0.55 0.00 0.00 175.29 173.44 1r9p s LEU 43 N 1.15 2.32 -0.01 3.68 2.96 -0.59 -1.05 118.68 127.14 1r9p s LEU 43 Ca -0.09 -0.71 -0.03 0.00 -0.22 0.00 0.00 54.13 53.08 1r9p s LEU 43 Cb -0.11 -0.85 0.00 0.00 0.50 0.00 0.00 46.19 45.73 1r9p s LEU 43 CO -0.06 0.03 0.07 -1.10 -1.32 0.00 0.00 176.35 173.97 1r9p s GLN 44 N -2.05 0.22 0.12 1.98 -0.21 -0.30 -1.27 119.66 118.15 1r9p s GLN 44 Ca 0.07 -0.16 0.05 0.00 0.02 0.00 0.00 55.36 55.34 1r9p s GLN 44 Cb -0.09 0.09 -0.04 0.00 1.00 0.00 0.00 33.01 33.97 1r9p s GLN 44 CO 0.04 -0.04 -0.12 0.96 -2.12 0.00 0.00 175.29 174.02 1r9p s ILE 45 N -0.60 1.15 -0.09 1.08 -5.25 -0.66 -1.83 121.20 115.01 1r9p s ILE 45 Ca -0.07 -1.76 0.00 0.00 -0.99 0.00 0.00 60.65 57.84 1r9p s ILE 45 Cb -0.04 -1.53 0.02 0.00 2.95 0.00 0.00 42.46 43.87 1r9p s ILE 45 CO 0.00 -0.53 -0.07 -0.75 -1.79 0.00 0.00 174.94 171.80 1r9p s LYS 46 N -2.92 1.35 -0.04 0.37 2.20 -0.67 -2.36 119.74 117.66 1r9p s LYS 46 Ca 0.09 -0.21 0.05 0.00 -0.36 0.00 0.00 55.97 55.53 1r9p s LYS 46 Cb -0.03 -1.39 -0.02 0.00 -1.51 0.00 0.00 37.83 34.88 1r9p s LYS 46 CO 0.01 -0.20 -0.17 0.08 -0.36 0.00 0.00 175.35 174.72 1r9p s VAL 47 N 1.48 2.85 0.00 4.02 1.01 -1.04 -2.61 120.40 126.11 1r9p s VAL 47 Ca -0.00 -0.81 0.00 0.00 0.00 0.00 0.00 61.98 61.17 1r9p s VAL 47 Cb -0.13 -2.09 0.00 0.00 0.00 0.00 0.00 36.38 34.15 1r9p s VAL 47 CO -0.05 0.59 0.00 0.47 0.00 0.00 0.00 175.10 176.11 1r9p n ASP 48 N 2.33 0.00 -2.35 3.32 8.00 -0.67 -4.81 116.55 122.37 1r9p n ASP 48 Ca -0.17 0.00 -0.01 0.00 0.71 0.00 0.00 54.79 55.32 1r9p n ASP 48 Cb 0.52 0.00 -0.02 0.00 -0.02 0.00 0.00 41.12 41.60 1r9p n ASP 48 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 1r9p n ASP 49 N -0.66 0.65 -1.21 -2.24 9.92 -1.18 -4.01 116.55 117.82 1r9p n ASP 49 Ca 0.00 -1.54 -0.01 0.00 -0.53 0.00 0.00 54.79 52.71 1r9p n ASP 49 Cb 0.00 -0.17 0.01 0.00 -0.64 0.00 0.00 41.12 40.32 1r9p n ASP 49 CO 0.00 0.00 0.00 0.59 0.13 0.00 0.00 177.20 177.92 1r9p n ASN 50 N 2.75 -2.02 0.00 -2.24 3.02 -1.26 -3.46 115.26 112.06 1r9p n ASN 50 Ca 0.04 -0.05 0.00 0.00 -0.03 0.00 0.00 54.58 54.54 1r9p n ASN 50 Cb 0.10 -0.87 0.00 0.00 -0.61 0.00 0.00 39.78 38.40 1r9p n ASN 50 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1r9p n GLY 51 N -1.03 0.47 3.87 7.41 0.00 -1.26 -5.01 105.19 109.65 1r9p n GLY 51 Ca -0.02 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.69 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 -2.04 5.11 -0.95 -0.61 -1.09 -1.22 -3.85 121.20 116.54 1r9p s ILE 52 Ca 0.00 -0.48 -0.22 0.00 -2.23 0.00 0.00 60.65 57.71 1r9p s ILE 52 Cb 0.00 -3.47 0.07 0.00 -1.58 0.00 0.00 42.46 37.48 1r9p s ILE 52 CO 0.00 0.16 1.33 -0.63 -1.23 0.00 0.00 174.94 174.57 1r9p s ILE 53 N -1.44 4.12 0.13 2.92 1.01 -0.94 -1.67 121.20 125.32 1r9p s ILE 53 Ca 0.32 -0.83 -0.09 0.00 0.00 0.00 0.00 60.65 60.05 1r9p s ILE 53 Cb -0.13 -4.96 -0.12 0.00 0.01 0.00 0.00 42.46 37.26 1r9p s ILE 53 CO 0.25 -1.80 1.37 1.05 0.00 0.00 0.00 174.94 175.81 1r9p h GLU 54 N 9.58 0.71 -5.82 2.79 4.11 -1.83 -0.62 114.58 123.50 1r9p h GLU 54 Ca 0.12 -0.54 -0.51 0.00 0.07 0.00 0.00 59.36 58.50 1r9p h GLU 54 Cb 1.02 0.10 -0.16 0.00 0.50 0.00 0.00 28.75 30.21 1r9p h GLU 54 CO 1.33 1.16 -0.76 0.34 0.07 0.00 0.00 179.01 181.15 1r9p s ASP 55 N -7.04 2.79 -0.28 3.06 -1.08 -1.22 -4.59 116.67 108.30 1r9p s ASP 55 Ca -0.09 -0.96 -0.10 0.00 -0.52 0.00 0.00 52.55 50.89 1r9p s ASP 55 Cb 0.10 -0.17 0.12 0.00 -1.46 0.00 0.00 42.92 41.51 1r9p s ASP 55 CO 0.88 -0.08 0.61 0.00 0.52 0.00 0.00 175.17 177.11 1r9p s ALA 56 N -2.52 -1.89 0.22 3.66 0.00 -1.26 -1.68 121.76 118.29 1r9p s ALA 56 Ca 0.21 2.21 0.08 0.00 0.00 0.00 0.00 51.96 54.45 1r9p s ALA 56 Cb -0.03 -1.69 -0.04 0.00 0.00 0.00 0.00 23.12 21.35 1r9p s ALA 56 CO 0.08 -0.89 0.06 0.21 0.00 0.00 0.00 175.76 175.22 1r9p s LYS 57 N 2.82 2.54 0.14 0.00 2.20 -0.76 -5.00 119.74 121.69 1r9p s LYS 57 Ca -0.05 -1.15 0.03 0.00 -0.36 0.00 0.00 55.97 54.43 1r9p s LYS 57 Cb -0.12 -2.38 -0.01 0.00 -1.51 0.00 0.00 37.83 33.81 1r9p s LYS 57 CO -0.18 0.42 0.12 1.97 -0.36 0.00 0.00 175.35 177.33 1r9p n PHE 58 N -0.59 -0.37 -2.74 4.03 -1.74 -1.26 -1.15 117.46 113.63 1r9p n PHE 58 Ca -0.08 -1.15 -0.03 0.00 -0.56 0.00 0.00 57.45 55.63 1r9p n PHE 58 Cb 0.57 0.13 0.02 0.00 1.52 0.00 0.00 39.48 41.72 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 -2.54 0.54 -0.21 3.97 2.20 -0.22 -4.89 119.74 118.59 1r9p s LYS 59 Ca 0.16 -0.48 -0.22 0.00 -0.36 0.00 0.00 55.97 55.06 1r9p s LYS 59 Cb 0.01 -0.01 -0.02 0.00 -1.51 0.00 0.00 37.83 36.30 1r9p s LYS 59 CO 0.11 -0.67 0.71 0.99 -0.36 0.00 0.00 175.35 176.13 1r9p s THR 60 N 1.09 4.95 -0.25 3.43 2.01 -1.26 -2.38 115.64 123.23 1r9p s THR 60 Ca 0.24 1.35 -0.02 0.00 0.31 0.00 0.00 61.69 63.57 1r9p s THR 60 Cb 0.07 -4.02 0.12 0.00 0.01 0.00 0.00 72.50 68.67 1r9p s THR 60 CO -0.09 0.04 0.28 -0.47 -0.69 0.00 0.00 174.62 173.69 1r9p s TYR 61 N 2.23 -0.43 0.00 4.92 6.14 -1.26 -4.90 117.35 124.04 1r9p s TYR 61 Ca 0.32 0.14 0.00 0.00 0.64 0.00 0.00 57.07 58.16 1r9p s TYR 61 Cb -0.16 -0.35 0.00 0.00 0.42 0.00 0.00 41.96 41.87 1r9p s TYR 61 CO 0.10 -0.76 0.00 0.41 0.64 0.00 0.00 175.55 175.94 1r9p n GLY 62 N 5.32 3.68 3.80 8.97 0.00 -1.23 -3.77 105.19 121.95 1r9p n GLY 62 Ca -0.04 -0.55 -0.29 0.00 0.00 0.00 0.00 46.02 45.14 1r9p n GLY 62 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1r9p n GLY 64 N -2.16 0.00 0.05 0.00 0.00 -1.26 -4.75 105.19 97.07 1r9p n GLY 64 Ca 0.07 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.18 1r9p n GLY 64 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1r9p n SER 65 N -1.65 0.29 -0.42 1.61 7.64 -1.26 -4.01 113.62 115.82 1r9p n SER 65 Ca 0.00 0.12 0.14 0.00 1.01 0.00 0.00 58.87 60.13 1r9p n SER 65 Cb 0.14 1.39 0.56 0.00 -1.01 0.00 0.00 64.21 65.28 1r9p n SER 65 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1r9p n ALA 66 N -2.28 2.58 -0.49 -0.43 0.00 -1.26 -4.16 120.51 114.48 1r9p n ALA 66 Ca -0.05 -0.42 0.42 0.00 0.00 0.00 0.00 53.44 53.39 1r9p n ALA 66 Cb 0.62 -1.20 0.76 0.00 0.00 0.00 0.00 19.45 19.63 1r9p n ALA 66 CO 0.00 0.00 0.00 0.97 0.00 0.00 0.00 177.50 178.47 1r9p h ILE 67 N 2.02 0.22 -0.13 0.00 6.09 -1.86 0.61 117.51 124.46 1r9p h ILE 67 Ca 0.00 -0.01 -0.02 0.00 -1.37 0.00 0.00 64.86 63.46 1r9p h ILE 67 Cb 0.43 0.19 -0.00 0.00 0.47 0.00 0.00 36.82 37.91 1r9p h ILE 67 CO 0.00 0.01 -0.01 0.00 -3.07 0.00 0.00 178.15 175.08 1r9p h ALA 68 N 1.28 0.18 -1.50 0.18 0.00 -1.90 -2.62 119.26 114.89 1r9p h ALA 68 Ca 0.74 -0.20 0.45 0.00 0.00 0.00 0.00 54.91 55.90 1r9p h ALA 68 Cb 2.86 -0.05 -0.09 0.00 0.00 0.00 0.00 17.79 20.51 1r9p h ALA 68 CO -0.07 -0.11 1.04 1.03 0.00 0.00 0.00 179.25 181.14 1r9p h SER 69 N -0.03 0.12 0.28 0.00 0.87 -0.06 0.35 113.55 115.07 1r9p h SER 69 Ca 0.04 0.05 -0.01 0.00 -1.23 0.00 0.00 61.79 60.64 1r9p h SER 69 Cb 0.38 0.04 -0.01 0.00 -0.44 0.00 0.00 62.40 62.38 1r9p h SER 69 CO 0.01 -0.06 -0.20 0.28 -0.53 0.00 0.00 176.83 176.34 1r9p h SER 70 N 0.06 -0.50 0.03 6.23 0.02 -1.45 -1.07 113.55 116.86 1r9p h SER 70 Ca 0.78 0.04 -0.07 0.00 -0.84 0.00 0.00 61.79 61.70 1r9p h SER 70 Cb 2.84 0.16 -0.01 0.00 0.14 0.00 0.00 62.40 65.53 1r9p h SER 70 CO -0.17 -0.31 -0.20 0.28 -1.14 0.00 0.00 176.83 175.30 1r9p h SER 71 N -0.47 0.29 0.00 3.07 0.02 -0.45 -2.53 113.55 113.48 1r9p h SER 71 Ca -0.02 -0.08 0.00 0.00 -0.84 0.00 0.00 61.79 60.85 1r9p h SER 71 Cb 0.41 -0.08 0.00 0.00 0.14 0.00 0.00 62.40 62.87 1r9p h SER 71 CO 0.01 0.51 0.00 -0.11 -1.14 0.00 0.00 176.83 176.09 1r9p n LEU 72 N -4.20 0.74 -0.28 5.07 7.94 -0.64 -0.76 117.00 124.87 1r9p n LEU 72 Ca -0.01 0.36 0.24 0.00 -1.11 0.00 0.00 56.01 55.49 1r9p n LEU 72 Cb 0.33 0.00 0.44 0.00 0.53 0.00 0.00 43.42 44.72 1r9p n LEU 72 CO 0.39 0.00 0.85 0.00 -1.11 0.00 0.00 177.39 177.52 1r9p n ILE 73 N -0.48 -0.36 0.10 1.96 3.06 -0.46 0.40 119.36 123.58 1r9p n ILE 73 Ca 0.00 1.77 0.02 0.00 -2.50 0.00 0.00 62.75 62.04 1r9p n ILE 73 Cb 0.00 -2.80 0.36 0.00 0.54 0.00 0.00 39.64 37.74 1r9p n ILE 73 CO 0.00 0.00 0.00 0.71 -2.50 0.00 0.00 176.55 174.76 1r9p h THR 74 N 0.00 1.19 -0.00 9.51 1.35 -1.43 0.79 112.91 124.32 1r9p h THR 74 Ca 0.67 -0.86 0.00 0.00 -0.55 0.00 0.00 66.41 65.67 1r9p h THR 74 Cb 1.70 1.23 0.00 0.00 -1.73 0.00 0.00 68.15 69.35 1r9p h THR 74 CO -0.70 0.27 -0.25 -0.62 -0.25 0.00 0.00 175.52 173.97 1r9p n GLU 75 N -4.25 0.33 0.00 4.72 1.02 1.31 -2.76 120.64 121.01 1r9p n GLU 75 Ca -0.01 -0.14 0.06 0.00 -0.02 0.00 0.00 57.16 57.05 1r9p n GLU 75 Cb 0.29 -1.50 -0.01 0.00 -0.02 0.00 0.00 31.44 30.20 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 -1.21 0.00 0.12 -0.32 7.02 0.08 -4.41 117.44 118.72 1r9p n TRP 76 Ca 0.09 0.00 0.01 0.00 -1.02 0.00 0.00 57.50 56.59 1r9p n TRP 76 Cb 0.32 0.00 0.01 0.00 -2.42 0.00 0.00 31.31 29.22 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 -0.41 0.02 -3.32 -0.99 0.24 0.17 -4.73 118.33 109.31 1r9p n VAL 77 Ca 0.05 -0.51 -0.41 0.00 -2.04 0.00 0.00 64.34 61.42 1r9p n VAL 77 Cb 0.24 1.05 -0.09 0.00 -1.47 0.00 0.00 33.84 33.58 1r9p n VAL 77 CO 0.00 0.00 0.00 -0.75 -2.14 0.00 0.00 176.83 173.94 1r9p s LYS 78 N -0.26 3.57 0.00 7.34 2.20 -1.11 -3.91 119.74 127.56 1r9p s LYS 78 Ca 0.04 -0.31 0.00 0.00 -0.36 0.00 0.00 55.97 55.34 1r9p s LYS 78 Cb 0.02 -3.81 0.00 0.00 -1.51 0.00 0.00 37.83 32.53 1r9p s LYS 78 CO 0.04 -0.60 0.00 0.41 -0.36 0.00 0.00 175.35 174.84 1r9p n GLY 79 N 4.88 0.88 3.95 5.54 0.00 -0.24 -4.99 105.19 115.22 1r9p n GLY 79 Ca -0.07 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.71 1r9p n GLY 79 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1r9p s LYS 80 N -0.69 2.51 0.59 1.61 -0.14 -1.25 -4.77 119.74 117.61 1r9p s LYS 80 Ca 0.00 -0.44 -0.03 0.00 -1.36 0.00 0.00 55.97 54.14 1r9p s LYS 80 Cb 0.00 -2.34 0.03 0.00 -1.68 0.00 0.00 37.83 33.84 1r9p s LYS 80 CO 0.00 -0.87 0.87 -1.12 -0.76 0.00 0.00 175.35 173.47 1r9p s SER 81 N -4.42 5.31 0.43 2.83 0.01 -1.26 -2.21 113.70 114.39 1r9p s SER 81 Ca 0.57 0.39 0.20 0.00 1.31 0.00 0.00 55.95 58.43 1r9p s SER 81 Cb -0.10 -1.29 0.99 0.00 0.21 0.00 0.00 66.02 65.82 1r9p s SER 81 CO 0.42 -1.19 1.89 -0.07 0.41 0.00 0.00 173.24 174.70 1r9p h LEU 82 N -0.16 0.00 -2.00 2.44 3.38 -1.95 -1.86 115.31 115.16 1r9p h LEU 82 Ca -0.44 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.52 1r9p h LEU 82 Cb 1.28 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 42.03 1r9p h LEU 82 CO 0.58 0.27 -0.01 -0.33 0.09 0.00 0.00 178.44 179.04 1r9p h GLU 83 N 0.00 0.00 0.00 1.13 3.07 -1.91 0.14 114.58 117.01 1r9p h GLU 83 Ca -0.00 0.00 -0.08 0.00 -0.50 0.00 0.00 59.36 58.78 1r9p h GLU 83 Cb 0.61 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 28.50 1r9p h GLU 83 CO 0.03 0.01 -1.13 0.39 -1.40 0.00 0.00 179.01 176.92 1r9p n GLU 84 N -3.12 0.52 0.29 2.33 -0.58 -0.77 -4.25 120.64 115.07 1r9p n GLU 84 Ca -0.01 0.31 0.18 0.00 -0.42 0.00 0.00 57.16 57.22 1r9p n GLU 84 Cb 0.22 -1.52 0.98 0.00 -0.57 0.00 0.00 31.44 30.56 1r9p n GLU 84 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1r9p h ALA 85 N -0.97 1.43 -1.03 0.62 0.00 -1.43 -1.83 119.26 116.04 1r9p h ALA 85 Ca -0.12 -0.00 -0.75 0.00 0.00 0.00 0.00 54.91 54.04 1r9p h ALA 85 Cb 0.99 0.00 -0.28 0.00 0.00 0.00 0.00 17.79 18.50 1r9p h ALA 85 CO -0.07 -0.07 0.93 0.41 0.00 0.00 0.00 179.25 180.44 1r9p n GLY 86 N -1.27 5.58 0.00 0.00 0.00 0.48 -4.31 105.19 105.68 1r9p n GLY 86 Ca -0.02 -2.49 0.00 0.00 0.00 0.00 0.00 46.02 43.51 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 -0.56 0.00 -1.09 4.61 0.00 -0.76 -4.85 120.51 117.86 1r9p n ALA 87 Ca 0.54 0.00 -0.37 0.00 0.00 0.00 0.00 53.44 53.61 1r9p n ALA 87 Cb 0.29 0.00 0.04 0.00 0.00 0.00 0.00 19.45 19.78 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 -0.55 0.12 -4.27 0.00 -5.35 -0.79 -4.97 119.36 103.55 1r9p n ILE 88 Ca 0.00 -0.48 -0.25 0.00 -0.27 0.00 0.00 62.75 61.75 1r9p n ILE 88 Cb 0.00 -0.08 -0.08 0.00 -1.74 0.00 0.00 39.64 37.74 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 2.15 0.26 6.28 1.02 -1.26 -4.98 119.74 121.39 1r9p s LYS 89 Ca 0.48 -1.87 0.23 0.00 0.02 0.00 0.00 55.97 54.83 1r9p s LYS 89 Cb -0.29 -1.91 0.25 0.00 -0.52 0.00 0.00 37.83 35.36 1r9p s LYS 89 CO 0.75 -0.05 1.35 -2.95 -0.92 0.00 0.00 175.35 173.53 1r9p h ASN 90 N 1.58 0.00 0.41 2.83 -1.07 -1.93 -3.28 115.58 114.12 1r9p h ASN 90 Ca -0.43 -0.04 -0.05 0.00 0.07 0.00 0.00 56.30 55.84 1r9p h ASN 90 Cb 1.25 0.00 -0.01 0.00 -2.07 0.00 0.00 38.32 37.49 1r9p h ASN 90 CO 0.71 0.02 -0.25 -1.28 0.07 0.00 0.00 177.43 176.70 1r9p h SER 91 N 0.00 0.00 0.51 6.14 0.87 -1.95 -0.82 113.55 118.30 1r9p h SER 91 Ca 0.00 0.00 -0.03 0.00 -1.23 0.00 0.00 61.79 60.53 1r9p h SER 91 Cb 0.92 0.00 0.01 0.00 -0.44 0.00 0.00 62.40 62.89 1r9p h SER 91 CO 0.00 0.25 -0.25 1.56 -0.53 0.00 0.00 176.83 177.87 1r9p h GLN 92 N 0.00 -0.67 -0.73 2.24 4.20 -1.99 -2.14 115.11 116.03 1r9p h GLN 92 Ca -0.00 0.05 -0.03 0.00 0.06 0.00 0.00 58.65 58.72 1r9p h GLN 92 Cb 0.53 0.15 -0.03 0.00 0.30 0.00 0.00 27.48 28.43 1r9p h GLN 92 CO 0.03 -0.37 0.33 0.82 -0.67 0.00 0.00 178.83 178.98 1r9p h ILE 93 N -1.05 1.23 0.00 2.54 2.04 -1.71 -0.56 117.51 120.00 1r9p h ILE 93 Ca -0.07 -0.68 0.03 0.00 1.00 0.00 0.00 64.86 65.14 1r9p h ILE 93 Cb 0.61 0.32 -0.04 0.00 -0.74 0.00 0.00 36.82 36.97 1r9p h ILE 93 CO 0.12 0.29 -0.22 0.00 0.00 0.00 0.00 178.15 178.33 1r9p h ALA 94 N 1.33 -0.29 -0.45 1.87 0.00 -1.13 -1.59 119.26 118.98 1r9p h ALA 94 Ca 0.25 -0.00 -0.08 0.00 0.00 0.00 0.00 54.91 55.08 1r9p h ALA 94 Cb 0.13 0.39 -0.02 0.00 0.00 0.00 0.00 17.79 18.29 1r9p h ALA 94 CO -0.03 -0.72 -0.05 1.49 0.00 0.00 0.00 179.25 179.94 1r9p h GLU 95 N -0.36 0.78 -0.94 0.00 4.57 -1.13 3.45 114.58 120.96 1r9p h GLU 95 Ca 0.06 -0.23 0.16 0.00 -1.18 0.00 0.00 59.36 58.17 1r9p h GLU 95 Cb 0.43 -0.08 -0.10 0.00 -0.16 0.00 0.00 28.75 28.85 1r9p h GLU 95 CO -0.20 0.82 0.54 1.49 -1.18 0.00 0.00 179.01 180.48 1r9p h GLU 96 N 0.72 0.72 0.00 1.92 4.57 -0.19 -2.93 114.58 119.39 1r9p h GLU 96 Ca 0.13 -0.04 -0.24 0.00 -1.18 0.00 0.00 59.36 58.03 1r9p h GLU 96 Cb 0.51 -0.16 -0.05 0.00 -0.16 0.00 0.00 28.75 28.89 1r9p h GLU 96 CO 0.03 0.48 -1.96 -0.11 -1.18 0.00 0.00 179.01 176.26 1r9p n LEU 97 N -4.79 0.00 -2.85 1.64 7.94 -0.72 -5.04 117.00 113.19 1r9p n LEU 97 Ca 0.20 0.00 -0.12 0.00 -1.11 0.00 0.00 56.01 54.98 1r9p n LEU 97 Cb 0.47 0.32 0.06 0.00 0.53 0.00 0.00 43.42 44.80 1r9p n LEU 97 CO 0.22 0.32 0.03 1.21 -1.11 0.00 0.00 177.39 178.07 1r9p n GLU 98 N -2.49 -2.17 -3.14 1.96 0.00 1.14 -4.98 120.64 110.96 1r9p n GLU 98 Ca -0.22 0.67 -0.37 0.00 0.00 0.00 0.00 57.16 57.24 1r9p n GLU 98 Cb 0.92 -4.88 -0.06 0.00 0.00 0.00 0.00 31.44 27.42 1r9p n GLU 98 CO 0.00 0.00 0.00 -0.48 0.00 0.00 0.00 177.13 176.65 1r9p s LEU 99 N -4.91 4.40 0.30 4.31 2.34 -1.24 -5.00 118.68 118.88 1r9p s LEU 99 Ca 0.31 1.39 -0.26 0.00 0.06 0.00 0.00 54.13 55.63 1r9p s LEU 99 Cb -0.04 -3.43 -0.15 0.00 -0.56 0.00 0.00 46.19 42.01 1r9p s LEU 99 CO 0.57 0.09 0.51 -2.65 -1.06 0.00 0.00 176.35 173.81 1r9p n PRO 100 N 0.97 0.30 0.00 1.48 -0.02 -1.26 -4.83 135.00 131.64 1r9p n PRO 100 Ca -0.04 0.11 0.12 0.00 -2.02 0.00 0.00 63.50 61.67 1r9p n PRO 100 Cb 0.51 -1.22 0.69 0.00 -0.02 0.00 0.00 33.50 33.46 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 0.96 0.56 0.08 0.52 -0.04 -1.26 -3.58 135.00 132.23 1r9p n PRO 101 Ca 0.14 0.03 0.05 0.00 -0.04 0.00 0.00 63.50 63.68 1r9p n PRO 101 Cb 0.32 -1.50 0.27 0.00 -0.04 0.00 0.00 33.50 32.55 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 -1.16 1.55 -2.77 0.52 0.31 -1.26 -3.20 118.33 112.33 1r9p n VAL 102 Ca 0.15 0.61 -0.09 0.00 -0.01 0.00 0.00 64.34 65.00 1r9p n VAL 102 Cb 0.15 -1.61 0.08 0.00 -0.91 0.00 0.00 33.84 31.55 1r9p n VAL 102 CO 0.00 0.00 0.00 2.29 -1.32 0.00 0.00 176.83 177.80 1r9p n LYS 103 N -1.85 1.07 0.04 5.55 2.85 -1.23 -4.94 118.16 119.66 1r9p n LYS 103 Ca -0.01 -2.13 0.03 0.00 -1.05 0.00 0.00 58.31 55.15 1r9p n LYS 103 Cb 0.02 -0.84 0.14 0.00 -0.65 0.00 0.00 35.03 33.70 1r9p n LYS 103 CO 0.00 0.00 0.00 0.28 -0.05 0.00 0.00 177.40 177.63 1r9p n VAL 104 N 0.06 1.51 0.26 0.58 0.31 -1.19 -1.62 118.33 118.24 1r9p n VAL 104 Ca 0.06 0.56 0.18 0.00 -0.01 0.00 0.00 64.34 65.13 1r9p n VAL 104 Cb 0.74 -1.56 0.85 0.00 -0.91 0.00 0.00 33.84 32.96 1r9p n VAL 104 CO 0.00 0.00 0.00 1.12 -1.32 0.00 0.00 176.83 176.63 1r9p h HIS 105 N 0.00 0.00 0.68 3.52 2.07 -1.92 -2.15 115.15 117.35 1r9p h HIS 105 Ca 0.00 0.00 -0.03 0.00 -2.85 0.00 0.00 60.37 57.49 1r9p h HIS 105 Cb 0.15 0.00 0.01 0.00 2.57 0.00 0.00 27.41 30.14 1r9p h HIS 105 CO 0.00 0.00 -0.33 0.00 -3.07 0.00 0.00 177.93 174.53 1r9p h SER 107 N -1.14 -0.42 -0.31 0.00 4.64 -1.65 0.17 113.55 114.84 1r9p h SER 107 Ca -0.09 0.08 0.09 0.00 -0.47 0.00 0.00 61.79 61.39 1r9p h SER 107 Cb 0.70 0.20 -0.01 0.00 -0.31 0.00 0.00 62.40 62.98 1r9p h SER 107 CO 0.15 -0.18 0.30 0.40 -0.87 0.00 0.00 176.83 176.64 1r9p h ILE 108 N -0.17 0.50 -0.39 0.95 2.04 -1.49 0.83 117.51 119.77 1r9p h ILE 108 Ca 0.09 0.00 -0.10 0.00 1.00 0.00 0.00 64.86 65.84 1r9p h ILE 108 Cb 0.30 0.76 -0.01 0.00 -0.74 0.00 0.00 36.82 37.13 1r9p h ILE 108 CO -0.22 0.00 -0.16 0.25 0.00 0.00 0.00 178.15 178.02 1r9p h LEU 109 N 0.00 0.82 0.75 1.44 5.85 0.12 0.98 115.31 125.28 1r9p h LEU 109 Ca 0.15 -0.39 -0.04 0.00 0.84 0.00 0.00 57.88 58.44 1r9p h LEU 109 Cb 0.75 -0.23 0.01 0.00 0.37 0.00 0.00 40.66 41.56 1r9p h LEU 109 CO -0.00 1.03 -0.36 0.00 -0.34 0.00 0.00 178.44 178.76 1r9p h ALA 110 N 0.82 -1.01 0.49 1.25 0.00 -0.38 -1.71 119.26 118.71 1r9p h ALA 110 Ca 0.09 -0.23 -0.02 0.00 0.00 0.00 0.00 54.91 54.75 1r9p h ALA 110 Cb 0.70 0.39 0.00 0.00 0.00 0.00 0.00 17.79 18.89 1r9p h ALA 110 CO 0.05 -1.01 -0.24 1.49 0.00 0.00 0.00 179.25 179.55 1r9p h GLU 111 N -1.13 -0.63 -1.80 0.00 4.22 -1.52 -2.38 114.58 111.33 1r9p h GLU 111 Ca -0.10 0.04 0.54 0.00 0.08 0.00 0.00 59.36 59.92 1r9p h GLU 111 Cb 0.79 0.14 -0.09 0.00 0.50 0.00 0.00 28.75 30.10 1r9p h GLU 111 CO 0.17 -0.42 1.28 -3.47 -2.18 0.00 0.00 179.01 174.38 1r9p n ASP 112 N -3.94 0.04 0.18 1.04 2.03 0.34 0.25 116.55 116.49 1r9p n ASP 112 Ca -0.08 1.04 -0.12 0.00 0.52 0.00 0.00 54.79 56.15 1r9p n ASP 112 Cb 0.26 -0.52 -0.07 0.00 -0.72 0.00 0.00 41.12 40.07 1r9p n ASP 112 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1r9p h ALA 113 N 1.08 -0.51 -0.94 -1.67 0.00 -0.80 -1.53 119.26 114.89 1r9p h ALA 113 Ca 0.90 -0.18 0.19 0.00 0.00 0.00 0.00 54.91 55.81 1r9p h ALA 113 Cb 3.49 0.20 -0.08 0.00 0.00 0.00 0.00 17.79 21.39 1r9p h ALA 113 CO -0.10 -0.56 0.60 0.97 0.00 0.00 0.00 179.25 180.16 1r9p h ILE 114 N -0.96 0.72 0.03 0.00 6.09 0.13 -0.55 117.51 122.97 1r9p h ILE 114 Ca -0.05 -0.20 -0.00 0.00 -1.37 0.00 0.00 64.86 63.24 1r9p h ILE 114 Cb 0.54 0.08 0.00 0.00 0.47 0.00 0.00 36.82 37.91 1r9p h ILE 114 CO 0.09 0.11 -0.01 0.50 -3.07 0.00 0.00 178.15 175.76 1r9p h LYS 115 N 0.59 -0.04 -0.93 2.19 3.64 -1.31 -2.04 116.57 118.68 1r9p h LYS 115 Ca 0.50 0.00 0.07 0.00 -1.27 0.00 0.00 60.65 59.96 1r9p h LYS 115 Cb 1.00 0.01 -0.06 0.00 -0.41 0.00 0.00 32.23 32.76 1r9p h LYS 115 CO -0.25 0.36 0.60 0.00 -2.27 0.00 0.00 179.45 177.89 1r9p h ALA 116 N 0.52 1.51 0.02 5.00 0.00 -0.20 -1.07 119.26 125.04 1r9p h ALA 116 Ca -0.00 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.89 1r9p h ALA 116 Cb 0.41 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 17.94 1r9p h ALA 116 CO 0.01 0.34 -0.01 0.00 0.00 0.00 0.00 179.25 179.59 1r9p h ALA 117 N 1.51 -0.73 -1.21 0.00 0.00 -1.05 -1.57 119.26 116.21 1r9p h ALA 117 Ca 0.41 -0.01 0.40 0.00 0.00 0.00 0.00 54.91 55.71 1r9p h ALA 117 Cb 0.24 0.01 -0.14 0.00 0.00 0.00 0.00 17.79 17.90 1r9p h ALA 117 CO -0.16 -0.72 0.76 0.82 0.00 0.00 0.00 179.25 179.94 1r9p h ILE 118 N -0.04 0.16 -0.32 0.00 2.04 -1.32 0.77 117.51 118.79 1r9p h ILE 118 Ca -0.00 -0.04 -0.04 0.00 1.00 0.00 0.00 64.86 65.78 1r9p h ILE 118 Cb 0.02 0.02 -0.01 0.00 -0.74 0.00 0.00 36.82 36.11 1r9p h ILE 118 CO 0.01 0.02 0.06 0.00 0.00 0.00 0.00 178.15 178.24 1r9p h ALA 119 N 1.69 0.43 0.00 1.87 0.00 -1.09 -1.83 119.26 120.33 1r9p h ALA 119 Ca 0.80 -0.19 -0.01 0.00 0.00 0.00 0.00 54.91 55.51 1r9p h ALA 119 Cb 2.33 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 20.00 1r9p h ALA 119 CO -0.48 0.12 -0.03 0.22 0.00 0.00 0.00 179.25 179.08 1r9p h ASP 120 N 0.36 0.00 0.16 0.00 1.82 0.16 0.85 116.42 119.77 1r9p h ASP 120 Ca 0.10 0.00 -0.29 0.00 -0.39 0.00 0.00 57.03 56.45 1r9p h ASP 120 Cb 0.34 0.00 0.03 0.00 0.68 0.00 0.00 39.33 40.38 1r9p h ASP 120 CO 0.01 0.03 -1.24 0.22 -1.61 0.00 0.00 179.24 176.65 1r9p h TYR 121 N 0.00 0.94 -0.01 0.28 5.03 -0.73 -3.20 116.97 119.28 1r9p h TYR 121 Ca -0.00 -0.63 0.00 0.00 2.58 0.00 0.00 58.73 60.68 1r9p h TYR 121 Cb 0.08 -0.06 0.00 0.00 1.55 0.00 0.00 36.73 38.30 1r9p h TYR 121 CO 0.00 1.47 -0.04 1.63 -1.32 0.00 0.00 178.16 179.90 1r9p n LYS 122 N -3.83 1.09 0.06 1.82 5.02 -0.75 -3.44 118.16 118.13 1r9p n LYS 122 Ca -0.15 -0.38 -0.00 0.00 -2.02 0.00 0.00 58.31 55.76 1r9p n LYS 122 Cb 0.99 -1.49 -0.06 0.00 -0.02 0.00 0.00 35.03 34.45 1r9p n LYS 122 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1r9p h ALA 123 N 3.96 0.64 0.00 7.82 0.00 -0.85 -3.32 119.26 127.52 1r9p h ALA 123 Ca 0.00 -0.77 -0.13 0.00 0.00 0.00 0.00 54.91 54.01 1r9p h ALA 123 Cb 0.29 0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.21 1r9p h ALA 123 CO 0.00 0.90 -0.93 0.87 0.00 0.00 0.00 179.25 180.09 1r9p h LYS 124 N 0.00 0.00 0.02 0.00 1.57 -1.61 -3.35 116.57 113.20 1r9p h LYS 124 Ca -0.11 0.00 0.03 0.00 -1.87 0.00 0.00 60.65 58.70 1r9p h LYS 124 Cb 1.57 0.00 -0.04 0.00 0.08 0.00 0.00 32.23 33.83 1r9p h LYS 124 CO 0.06 0.38 -0.27 0.37 -0.57 0.00 0.00 179.45 179.42 1r9p h GLN 125 N 0.00 -0.41 0.00 3.15 4.15 -1.65 -3.45 115.11 116.90 1r9p h GLN 125 Ca -0.07 0.03 0.00 0.00 0.77 0.00 0.00 58.65 59.37 1r9p h GLN 125 Cb 1.45 0.09 0.00 0.00 0.21 0.00 0.00 27.48 29.24 1r9p h GLN 125 CO 0.05 -0.27 0.00 0.41 -1.93 0.00 0.00 178.83 177.09 1r9p n GLY 126 N -1.38 0.00 0.08 2.39 0.00 -1.26 -5.02 105.19 100.00 1r9p n GLY 126 Ca -0.05 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.09 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 0.00 -7.58 0.99 5.85 -1.71 -3.49 115.31 109.37 1r9p h LEU 127 Ca 0.00 -0.16 0.35 0.00 0.84 0.00 0.00 57.88 58.91 1r9p h LEU 127 Cb 0.00 0.00 -0.10 0.00 0.37 0.00 0.00 40.66 40.93 1r9p h LEU 127 CO 0.00 0.08 0.90 -1.83 -0.34 0.00 0.00 178.44 177.25 1r9p s GLU 128 N -3.25 0.32 -0.08 1.25 -1.05 -1.26 -5.10 118.70 109.53 1r9p s GLU 128 Ca 0.03 -0.19 -0.03 0.00 -0.15 0.00 0.00 54.97 54.63 1r9p s GLU 128 Cb 0.12 0.10 -0.04 0.00 -0.44 0.00 0.00 34.13 33.87 1r9p s GLU 128 CO 0.76 -0.15 0.05 -1.01 0.95 0.00 0.00 175.26 175.86 1r9p s HIS 129 N -2.16 3.29 0.00 4.83 3.76 -1.26 -4.89 115.29 118.86 1r9p s HIS 129 Ca 0.22 0.28 0.00 0.00 -0.15 0.00 0.00 55.06 55.41 1r9p s HIS 129 Cb 0.02 -1.82 0.00 0.00 1.11 0.00 0.00 32.58 31.90 1r9p s HIS 129 CO -0.03 0.55 0.00 1.58 -0.85 0.00 0.00 174.74 175.99 1r9p n HIS 130 N 1.96 0.00 -0.45 1.40 -0.00 -1.26 -4.76 115.22 112.11 1r9p n HIS 130 Ca -0.18 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.00 1r9p n HIS 130 Cb 0.54 0.00 0.00 0.00 -0.12 0.00 0.00 29.99 30.41 1r9p n HIS 130 CO 0.00 0.00 0.00 0.72 0.46 0.00 0.00 176.34 177.52 1r9p n HIS 131 N 0.00 0.00 -3.55 1.57 8.25 -1.26 -4.84 115.22 115.39 1r9p n HIS 131 Ca 0.00 0.00 -0.04 0.00 -0.26 0.00 0.00 57.72 57.42 1r9p n HIS 131 Cb 0.00 -1.27 0.00 0.00 1.12 0.00 0.00 29.99 29.84 1r9p n HIS 131 CO 0.00 0.00 0.00 1.58 0.64 0.00 0.00 176.34 178.56 1r9p n HIS 132 N -1.08 -1.39 -2.44 4.41 -0.00 -1.26 -5.14 115.22 108.32 1r9p n HIS 132 Ca 0.00 -0.37 -0.15 0.00 -0.00 0.00 0.00 57.72 57.20 1r9p n HIS 132 Cb 0.12 -0.07 0.08 0.00 -0.00 0.00 0.00 29.99 30.12 1r9p n HIS 132 CO 0.00 0.00 0.00 0.72 -0.00 0.00 0.00 176.34 177.06 1r9p n HIS 133 N -0.71 -3.14 0.35 1.57 8.25 -1.26 -5.23 115.22 115.05 1r9p n HIS 133 Ca -0.00 -1.13 0.03 0.00 -0.26 0.00 0.00 57.72 56.36 1r9p n HIS 133 Cb 0.10 -0.48 0.17 0.00 1.12 0.00 0.00 29.99 30.89 1r9p n HIS 133 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70