#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 -0.10 -5.12 0.00 -1.26 -4.93 120.51 109.10 1r9p n ALA 2 Ca 0.00 0.00 -0.19 0.00 0.00 0.00 0.00 53.44 53.25 1r9p n ALA 2 Cb 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 19.45 19.37 1r9p n ALA 2 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 1r9p n TYR 3 N 0.00 0.00 -3.95 0.00 4.01 -1.26 -5.04 117.16 110.93 1r9p n TYR 3 Ca 0.00 0.00 -0.10 0.00 -0.16 0.00 0.00 57.90 57.64 1r9p n TYR 3 Cb 0.15 -0.75 -0.10 0.00 -0.31 0.00 0.00 39.34 38.32 1r9p n TYR 3 CO 0.00 0.00 0.00 -1.12 -0.46 0.00 0.00 176.86 175.28 1r9p s SER 4 N -6.47 0.18 0.00 7.72 0.01 -1.26 -5.15 113.70 108.74 1r9p s SER 4 Ca -0.28 -0.46 0.00 0.00 1.31 0.00 0.00 55.95 56.52 1r9p s SER 4 Cb 0.09 0.16 0.00 0.00 0.21 0.00 0.00 66.02 66.49 1r9p s SER 4 CO 0.40 -0.39 0.00 -0.62 0.41 0.00 0.00 173.24 173.05 1r9p n GLU 5 N 1.27 0.79 -3.27 12.44 -0.58 -1.26 -4.76 120.64 125.26 1r9p n GLU 5 Ca -0.22 0.00 -0.46 0.00 -0.42 0.00 0.00 57.16 56.06 1r9p n GLU 5 Cb 0.56 0.00 -0.05 0.00 -0.57 0.00 0.00 31.44 31.39 1r9p n GLU 5 CO 0.00 0.00 0.00 0.21 -0.48 0.00 0.00 177.13 176.86 1r9p s LYS 6 N 0.00 3.04 0.75 3.49 2.47 -1.26 -4.99 119.74 123.24 1r9p s LYS 6 Ca 0.00 -1.69 -0.16 0.00 -1.56 0.00 0.00 55.97 52.57 1r9p s LYS 6 Cb 0.00 -4.31 -0.02 0.00 -1.46 0.00 0.00 37.83 32.04 1r9p s LYS 6 CO 0.00 -1.37 0.56 1.33 0.16 0.00 0.00 175.35 176.03 1r9p n VAL 7 N 5.23 1.64 -1.94 4.02 0.24 -1.26 -4.97 118.33 121.29 1r9p n VAL 7 Ca -0.11 -0.36 -0.30 0.00 -2.04 0.00 0.00 64.34 61.52 1r9p n VAL 7 Cb 0.41 -0.76 0.18 0.00 -1.47 0.00 0.00 33.84 32.20 1r9p n VAL 7 CO 0.00 0.00 0.00 0.27 -2.14 0.00 0.00 176.83 174.96 1r9p s ILE 8 N -1.97 2.00 -0.43 1.34 -0.00 -1.26 -4.85 121.20 116.03 1r9p s ILE 8 Ca 0.65 -0.01 -0.39 0.00 -0.00 0.00 0.00 60.65 60.91 1r9p s ILE 8 Cb -0.33 -3.00 -0.15 0.00 -0.00 0.00 0.00 42.46 38.99 1r9p s ILE 8 CO 0.58 0.00 2.19 -0.67 -0.00 0.00 0.00 174.94 177.04 1r9p n ASP 9 N -3.75 1.51 -2.33 4.36 -0.08 -1.26 -4.79 116.55 110.22 1r9p n ASP 9 Ca 0.15 0.50 -0.23 0.00 -1.51 0.00 0.00 54.79 53.70 1r9p n ASP 9 Cb 0.59 -1.11 0.01 0.00 2.34 0.00 0.00 41.12 42.96 1r9p n ASP 9 CO 0.00 0.00 0.00 1.57 0.12 0.00 0.00 177.20 178.89 1r9p n HIS 10 N 9.00 2.83 -3.98 -0.67 -0.00 -1.26 -5.05 115.22 116.09 1r9p n HIS 10 Ca 0.48 -2.65 -0.31 0.00 -0.00 0.00 0.00 57.72 55.23 1r9p n HIS 10 Cb 0.12 -0.22 -0.05 0.00 -0.00 0.00 0.00 29.99 29.84 1r9p n HIS 10 CO 0.00 0.00 0.00 0.71 -0.00 0.00 0.00 176.34 177.05 1r9p s TYR 11 N -3.55 3.40 -0.30 1.57 2.02 -1.26 -5.09 117.35 114.14 1r9p s TYR 11 Ca 0.46 0.21 -0.15 0.00 -0.37 0.00 0.00 57.07 57.22 1r9p s TYR 11 Cb 0.40 -1.73 0.16 0.00 -0.40 0.00 0.00 41.96 40.39 1r9p s TYR 11 CO -0.07 0.57 0.99 -2.00 -1.57 0.00 0.00 175.55 173.47 1r9p s GLU 12 N -2.29 0.32 0.00 -0.62 2.12 -1.26 -5.09 118.70 111.88 1r9p s GLU 12 Ca 0.31 0.70 0.00 0.00 0.36 0.00 0.00 54.97 56.33 1r9p s GLU 12 Cb -0.13 0.30 0.00 0.00 0.26 0.00 0.00 34.13 34.57 1r9p s GLU 12 CO 0.23 -0.09 0.00 0.27 -0.54 0.00 0.00 175.26 175.13 1r9p n ASN 13 N 4.47 0.00 -4.56 -1.70 2.04 -1.26 -5.10 115.26 109.16 1r9p n ASN 13 Ca -0.13 0.00 -0.35 0.00 -0.44 0.00 0.00 54.58 53.66 1r9p n ASN 13 Cb 0.54 0.00 -0.04 0.00 -2.53 0.00 0.00 39.78 37.76 1r9p n ASN 13 CO 0.00 0.00 0.00 -2.16 -0.44 0.00 0.00 177.26 174.66 1r9p s PRO 14 N 0.00 3.01 0.50 -0.53 0.04 -1.26 -4.76 135.00 132.01 1r9p s PRO 14 Ca 0.00 -0.47 0.00 0.00 0.04 0.00 0.00 61.00 60.57 1r9p s PRO 14 Cb 0.00 -4.98 0.00 0.00 0.04 0.00 0.00 34.50 29.56 1r9p s PRO 14 CO 0.00 -2.73 0.00 -2.13 0.04 0.00 0.00 177.00 172.18 1r9p n ARG 15 N 8.97 -4.18 -1.05 4.56 0.00 -1.26 -4.93 116.66 118.78 1r9p n ARG 15 Ca 0.31 3.14 0.10 0.00 -0.00 0.00 0.00 57.85 61.40 1r9p n ARG 15 Cb 0.49 -3.61 -0.05 0.00 0.00 0.00 0.00 32.46 29.30 1r9p n ARG 15 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.63 175.92 1r9p n ASN 16 N -1.25 -4.83 0.00 6.15 4.05 -1.26 -4.88 115.26 113.24 1r9p n ASN 16 Ca 0.00 0.69 0.00 0.00 0.45 0.00 0.00 54.58 55.72 1r9p n ASN 16 Cb 0.10 -3.41 0.00 0.00 1.23 0.00 0.00 39.78 37.69 1r9p n ASN 16 CO 0.00 0.00 0.00 0.55 -3.05 0.00 0.00 177.26 174.76 1r9p n VAL 17 N -3.49 0.00 0.00 3.44 3.14 -1.26 -4.93 118.33 115.23 1r9p n VAL 17 Ca -0.03 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.35 1r9p n VAL 17 Cb 0.53 1.52 0.00 0.00 -1.06 0.00 0.00 33.84 34.83 1r9p n VAL 17 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 1r9p n GLY 18 N 0.00 -2.01 3.51 7.55 0.00 -1.26 -4.82 105.19 108.17 1r9p n GLY 18 Ca 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.72 1r9p n GLY 18 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1r9p s SER 19 N -1.86 0.49 0.04 1.61 1.04 -1.26 -4.96 113.70 108.81 1r9p s SER 19 Ca 0.00 0.79 0.00 0.00 0.48 0.00 0.00 55.95 57.22 1r9p s SER 19 Cb 0.00 -1.13 0.00 0.00 0.10 0.00 0.00 66.02 64.99 1r9p s SER 19 CO 0.00 -4.40 0.00 0.18 0.98 0.00 0.00 173.24 170.00 1r9p n LEU 20 N -4.97 0.00 -0.17 2.42 4.77 -1.26 -4.94 117.00 112.85 1r9p n LEU 20 Ca 0.12 0.07 0.08 0.00 -0.03 0.00 0.00 56.01 56.25 1r9p n LEU 20 Cb 0.59 0.05 0.11 0.00 -2.33 0.00 0.00 43.42 41.85 1r9p n LEU 20 CO 0.46 -0.55 0.50 0.47 -1.33 0.00 0.00 177.39 176.95 1r9p n ASP 21 N -2.66 1.88 0.00 -1.43 8.00 -1.26 -4.94 116.55 116.14 1r9p n ASP 21 Ca 0.00 -2.89 0.00 0.00 0.71 0.00 0.00 54.79 52.61 1r9p n ASP 21 Cb 0.00 -0.39 0.00 0.00 -0.02 0.00 0.00 41.12 40.71 1r9p n ASP 21 CO 0.00 0.00 0.00 1.17 -0.39 0.00 0.00 177.20 177.98 1r9p n LYS 22 N -1.15 0.00 -2.68 -1.24 4.81 -1.26 -4.41 118.16 112.23 1r9p n LYS 22 Ca 0.13 0.00 -0.06 0.00 -0.87 0.00 0.00 58.31 57.51 1r9p n LYS 22 Cb 0.66 -3.84 0.07 0.00 0.02 0.00 0.00 35.03 31.93 1r9p n LYS 22 CO 0.00 0.00 0.00 1.17 1.17 0.00 0.00 177.40 179.74 1r9p n LYS 23 N -1.45 0.76 -0.86 1.64 4.81 -1.26 -4.97 118.16 116.83 1r9p n LYS 23 Ca 0.00 -1.36 -0.12 0.00 -0.87 0.00 0.00 58.31 55.96 1r9p n LYS 23 Cb 0.00 -0.09 0.18 0.00 0.02 0.00 0.00 35.03 35.14 1r9p n LYS 23 CO 0.00 0.00 0.00 -3.47 1.17 0.00 0.00 177.40 175.10 1r9p n ASP 24 N -0.47 3.85 0.00 3.14 2.03 -1.26 -4.84 116.55 119.01 1r9p n ASP 24 Ca -0.12 -3.08 0.00 0.00 0.52 0.00 0.00 54.79 52.11 1r9p n ASP 24 Cb 0.76 -0.73 0.00 0.00 -0.72 0.00 0.00 41.12 40.44 1r9p n ASP 24 CO 0.00 0.00 0.00 -0.24 -1.92 0.00 0.00 177.20 175.04 1r9p n SER 25 N -0.42 -2.31 -0.12 1.67 2.88 -1.26 -4.50 113.62 109.56 1r9p n SER 25 Ca 0.39 0.00 0.01 0.00 -1.33 0.00 0.00 58.87 57.94 1r9p n SER 25 Cb 1.28 -1.68 0.01 0.00 -0.75 0.00 0.00 64.21 63.07 1r9p n SER 25 CO 0.00 0.00 0.00 0.59 -1.23 0.00 0.00 175.04 174.40 1r9p n ASN 26 N 1.32 1.31 -3.90 -3.46 3.02 -1.26 -4.87 115.26 107.41 1r9p n ASN 26 Ca 0.00 -1.18 -0.29 0.00 -0.03 0.00 0.00 54.58 53.08 1r9p n ASN 26 Cb 0.19 -0.00 -0.16 0.00 -0.61 0.00 0.00 39.78 39.20 1r9p n ASN 26 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 1r9p s VAL 27 N -0.29 1.19 0.02 2.41 1.01 -1.26 -1.34 120.40 122.15 1r9p s VAL 27 Ca 0.04 -0.73 -0.30 0.00 0.00 0.00 0.00 61.98 60.98 1r9p s VAL 27 Cb 0.02 -1.38 -0.05 0.00 0.00 0.00 0.00 36.38 34.97 1r9p s VAL 27 CO 0.04 0.10 1.28 -0.83 0.00 0.00 0.00 175.10 175.68 1r9p s GLY 28 N 1.59 2.13 -0.08 4.51 0.00 -0.15 -4.85 107.32 110.47 1r9p s GLY 28 Ca -0.00 0.84 -0.01 0.00 0.00 0.00 0.00 44.72 45.55 1r9p s GLY 28 CO -0.08 2.25 -0.02 -1.59 0.00 0.00 0.00 173.10 173.66 1r9p s THR 29 N 1.70 4.13 -0.05 0.90 2.01 -1.26 -1.54 115.64 121.53 1r9p s THR 29 Ca 0.60 -0.33 -0.02 0.00 0.31 0.00 0.00 61.69 62.26 1r9p s THR 29 Cb -0.30 -2.73 0.03 0.00 0.01 0.00 0.00 72.50 69.52 1r9p s THR 29 CO 0.27 0.59 0.09 -0.83 -0.69 0.00 0.00 174.62 174.06 1r9p s GLY 30 N -0.89 0.03 -0.32 4.40 0.00 -0.59 -3.91 107.32 106.04 1r9p s GLY 30 Ca 0.13 0.51 0.01 0.00 0.00 0.00 0.00 44.72 45.37 1r9p s GLY 30 CO 0.02 0.89 0.07 -0.29 0.00 0.00 0.00 173.10 173.79 1r9p s MET 31 N 1.18 1.09 0.42 2.90 1.75 -1.26 -0.41 119.30 124.98 1r9p s MET 31 Ca -0.09 -1.40 0.07 0.00 -1.25 0.00 0.00 55.69 53.02 1r9p s MET 31 Cb -0.12 -2.54 -0.06 0.00 2.84 0.00 0.00 34.83 34.95 1r9p s MET 31 CO -0.05 -0.94 0.09 0.14 -0.65 0.00 0.00 175.02 173.62 1r9p s VAL 32 N 1.30 2.05 0.11 10.11 -7.23 -0.51 -5.00 120.40 121.23 1r9p s VAL 32 Ca 0.09 -1.86 -0.26 0.00 -1.81 0.00 0.00 61.98 58.15 1r9p s VAL 32 Cb -0.18 -2.90 0.08 0.00 0.56 0.00 0.00 36.38 33.93 1r9p s VAL 32 CO -0.17 0.00 0.96 -0.83 -0.31 0.00 0.00 175.10 174.75 1r9p s GLY 33 N -3.82 -0.30 -0.00 2.32 0.00 -1.26 -0.76 107.32 103.49 1r9p s GLY 33 Ca 0.35 0.37 0.01 0.00 0.00 0.00 0.00 44.72 45.45 1r9p s GLY 33 CO 0.19 0.09 -0.04 0.00 0.00 0.00 0.00 173.10 173.34 1r9p s ALA 34 N -3.21 0.33 -0.04 3.20 0.00 -0.80 -4.99 121.76 116.25 1r9p s ALA 34 Ca 0.10 -0.15 -0.15 0.00 0.00 0.00 0.00 51.96 51.77 1r9p s ALA 34 Cb -0.01 -0.10 -0.09 0.00 0.00 0.00 0.00 23.12 22.92 1r9p s ALA 34 CO -0.01 0.07 0.60 -1.00 0.00 0.00 0.00 175.76 175.43 1r9p h PRO 35 N 6.13 -0.43 -1.00 0.00 0.13 -1.95 0.37 132.00 135.25 1r9p h PRO 35 Ca -0.28 0.03 0.37 0.00 -0.87 0.00 0.00 66.00 65.25 1r9p h PRO 35 Cb 1.19 0.10 -0.18 0.00 0.13 0.00 0.00 31.00 32.24 1r9p h PRO 35 CO 0.50 -0.23 0.37 0.00 -0.23 0.00 0.00 178.00 178.42 1r9p h ALA 36 N -1.00 1.85 -0.02 -0.56 0.00 -2.00 2.24 119.26 119.78 1r9p h ALA 36 Ca -0.05 0.29 0.00 0.00 0.00 0.00 0.00 54.91 55.16 1r9p h ALA 36 Cb 0.40 0.42 0.00 0.00 0.00 0.00 0.00 17.79 18.60 1r9p h ALA 36 CO 0.07 -0.83 -0.41 0.00 0.00 0.00 0.00 179.25 178.08 1r9p n GLY 38 N 1.40 -0.26 3.23 0.00 0.00 0.76 -4.64 105.19 105.68 1r9p n GLY 38 Ca 0.10 0.14 -0.32 0.00 0.00 0.00 0.00 46.02 45.94 1r9p n GLY 38 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1r9p s ASP 39 N -3.91 3.08 -0.28 1.61 -1.08 -0.77 -4.88 116.67 110.44 1r9p s ASP 39 Ca 0.35 -0.55 -0.09 0.00 -0.52 0.00 0.00 52.55 51.74 1r9p s ASP 39 Cb -0.20 -1.28 -0.03 0.00 -1.46 0.00 0.00 42.92 39.96 1r9p s ASP 39 CO 0.99 0.18 0.13 0.54 0.52 0.00 0.00 175.17 177.52 1r9p s VAL 40 N 0.23 4.65 0.17 1.11 0.11 -1.26 -1.90 120.40 123.51 1r9p s VAL 40 Ca -0.16 -0.18 0.09 0.00 -2.93 0.00 0.00 61.98 58.80 1r9p s VAL 40 Cb -0.17 -3.26 -0.04 0.00 -1.53 0.00 0.00 36.38 31.38 1r9p s VAL 40 CO 0.08 0.22 -0.12 -0.32 -3.33 0.00 0.00 175.10 171.62 1r9p s MET 41 N 1.65 1.96 -0.08 1.54 1.75 0.06 -4.36 119.30 121.81 1r9p s MET 41 Ca 0.06 -1.28 -0.01 0.00 -1.25 0.00 0.00 55.69 53.21 1r9p s MET 41 Cb -0.16 -2.12 0.03 0.00 2.84 0.00 0.00 34.83 35.41 1r9p s MET 41 CO 0.06 0.44 -0.03 -1.14 -0.65 0.00 0.00 175.02 173.71 1r9p s GLN 42 N -2.69 0.89 -0.32 4.11 0.74 -0.49 -1.42 119.66 120.47 1r9p s GLN 42 Ca 0.23 -0.02 -0.07 0.00 0.05 0.00 0.00 55.36 55.56 1r9p s GLN 42 Cb -0.09 -1.12 0.02 0.00 1.10 0.00 0.00 33.01 32.92 1r9p s GLN 42 CO 0.14 -0.27 0.10 -1.17 -0.55 0.00 0.00 175.29 173.54 1r9p s LEU 43 N 1.78 4.13 -0.19 3.68 2.96 0.45 -2.44 118.68 129.04 1r9p s LEU 43 Ca 0.03 -0.92 -0.02 0.00 -0.22 0.00 0.00 54.13 53.00 1r9p s LEU 43 Cb -0.13 -1.89 -0.00 0.00 0.50 0.00 0.00 46.19 44.68 1r9p s LEU 43 CO -0.05 -0.27 -0.11 -1.58 -1.32 0.00 0.00 176.35 173.02 1r9p s GLN 44 N 1.46 3.25 -0.07 1.98 0.74 -0.94 -1.55 119.66 124.53 1r9p s GLN 44 Ca 0.01 -0.70 0.02 0.00 0.05 0.00 0.00 55.36 54.73 1r9p s GLN 44 Cb -0.18 -2.80 -0.02 0.00 1.10 0.00 0.00 33.01 31.10 1r9p s GLN 44 CO 0.03 -0.13 -0.12 0.96 -0.55 0.00 0.00 175.29 175.47 1r9p s ILE 45 N 1.23 3.20 -0.25 -2.34 -4.36 -0.59 -0.17 121.20 117.92 1r9p s ILE 45 Ca 0.03 -0.66 -0.11 0.00 -0.26 0.00 0.00 60.65 59.65 1r9p s ILE 45 Cb -0.14 -2.29 -0.05 0.00 1.25 0.00 0.00 42.46 41.23 1r9p s ILE 45 CO -0.05 0.58 0.19 -0.75 0.24 0.00 0.00 174.94 175.15 1r9p s LYS 46 N -0.49 4.05 -0.06 0.37 2.20 -0.65 -0.98 119.74 124.20 1r9p s LYS 46 Ca 0.06 -0.23 0.05 0.00 -0.36 0.00 0.00 55.97 55.50 1r9p s LYS 46 Cb -0.12 -3.57 -0.01 0.00 -1.51 0.00 0.00 37.83 32.62 1r9p s LYS 46 CO 0.02 -0.00 -0.23 0.08 -0.36 0.00 0.00 175.35 174.85 1r9p s VAL 47 N 1.24 2.24 0.04 4.02 1.01 -0.45 -2.01 120.40 126.50 1r9p s VAL 47 Ca 0.09 -1.00 -0.33 0.00 0.00 0.00 0.00 61.98 60.74 1r9p s VAL 47 Cb -0.14 -1.83 -0.18 0.00 0.00 0.00 0.00 36.38 34.23 1r9p s VAL 47 CO 0.06 0.57 1.35 -0.78 0.00 0.00 0.00 175.10 176.30 1r9p h ASP 48 N 6.03 -1.00 0.00 3.32 1.82 -1.72 -3.43 116.42 121.45 1r9p h ASP 48 Ca -0.33 0.03 0.00 0.00 -0.39 0.00 0.00 57.03 56.34 1r9p h ASP 48 Cb 1.18 0.26 0.00 0.00 0.68 0.00 0.00 39.33 41.44 1r9p h ASP 48 CO 0.48 -0.64 0.00 -0.90 -1.61 0.00 0.00 179.24 176.57 1r9p n ASP 49 N -5.55 0.00 0.13 2.28 5.68 -1.26 -4.96 116.55 112.87 1r9p n ASP 49 Ca -0.15 0.00 0.07 0.00 -0.50 0.00 0.00 54.79 54.22 1r9p n ASP 49 Cb 0.46 0.00 0.04 0.00 -1.14 0.00 0.00 41.12 40.48 1r9p n ASP 49 CO 0.00 0.00 0.00 0.78 -1.33 0.00 0.00 177.20 176.65 1r9p h ASN 50 N 0.00 0.00 0.00 -1.12 2.35 -2.03 -3.46 115.58 111.32 1r9p h ASN 50 Ca 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 1r9p h ASN 50 Cb 0.00 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.37 1r9p h ASN 50 CO 0.00 0.24 0.00 0.61 -1.65 0.00 0.00 177.43 176.63 1r9p n GLY 51 N 1.21 0.60 3.76 2.83 0.00 -1.26 -5.06 105.19 107.27 1r9p n GLY 51 Ca -0.00 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.65 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 -1.34 5.23 -1.13 -0.61 -1.09 -1.26 -3.10 121.20 117.89 1r9p s ILE 52 Ca 0.00 0.69 -0.18 0.00 -2.23 0.00 0.00 60.65 58.92 1r9p s ILE 52 Cb 0.00 -3.68 0.10 0.00 -1.58 0.00 0.00 42.46 37.30 1r9p s ILE 52 CO 0.00 0.43 1.47 -0.63 -1.23 0.00 0.00 174.94 174.98 1r9p s ILE 53 N 0.10 4.42 0.21 2.92 1.01 -0.73 -2.34 121.20 126.79 1r9p s ILE 53 Ca 0.20 -1.74 -0.17 0.00 0.00 0.00 0.00 60.65 58.94 1r9p s ILE 53 Cb -0.14 -5.01 0.21 0.00 0.01 0.00 0.00 42.46 37.53 1r9p s ILE 53 CO 0.07 -1.80 1.58 -0.33 0.00 0.00 0.00 174.94 174.46 1r9p h GLU 54 N 8.28 -0.07 0.00 2.79 4.39 -1.73 -1.32 114.58 126.92 1r9p h GLU 54 Ca 0.30 0.01 -0.30 0.00 0.34 0.00 0.00 59.36 59.71 1r9p h GLU 54 Cb 0.94 0.02 -0.08 0.00 -0.10 0.00 0.00 28.75 29.53 1r9p h GLU 54 CO 1.33 -0.05 -0.25 -3.47 -1.16 0.00 0.00 179.01 175.41 1r9p n ASP 55 N -5.47 -0.73 -3.64 1.42 2.03 -1.23 -4.17 116.55 104.77 1r9p n ASP 55 Ca 0.08 -2.54 -0.08 0.00 0.52 0.00 0.00 54.79 52.77 1r9p n ASP 55 Cb 0.38 1.52 -0.07 0.00 -0.72 0.00 0.00 41.12 42.23 1r9p n ASP 55 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1r9p s ALA 56 N -2.79 -1.93 0.20 -1.67 0.00 -1.26 -1.63 121.76 112.68 1r9p s ALA 56 Ca 0.26 2.28 0.07 0.00 0.00 0.00 0.00 51.96 54.57 1r9p s ALA 56 Cb 0.01 -1.43 -0.04 0.00 0.00 0.00 0.00 23.12 21.66 1r9p s ALA 56 CO 0.19 -0.36 0.08 0.21 0.00 0.00 0.00 175.76 175.88 1r9p s LYS 57 N 1.26 2.64 0.21 0.00 2.20 0.76 -4.97 119.74 121.83 1r9p s LYS 57 Ca -0.07 -1.08 -0.00 0.00 -0.36 0.00 0.00 55.97 54.46 1r9p s LYS 57 Cb -0.05 -2.45 -0.04 0.00 -1.51 0.00 0.00 37.83 33.78 1r9p s LYS 57 CO -0.14 0.44 0.14 -0.59 -0.36 0.00 0.00 175.35 174.83 1r9p s PHE 58 N -1.92 1.23 -0.30 4.03 -0.71 -1.26 -2.22 117.98 116.82 1r9p s PHE 58 Ca 0.30 -1.38 -0.03 0.00 -1.04 0.00 0.00 56.93 54.78 1r9p s PHE 58 Cb -0.09 -0.60 0.19 0.00 -1.21 0.00 0.00 43.02 41.32 1r9p s PHE 58 CO 0.21 -0.63 0.83 0.21 -1.34 0.00 0.00 175.22 174.50 1r9p s LYS 59 N -4.10 0.36 -0.08 1.99 2.20 -1.02 -4.97 119.74 114.11 1r9p s LYS 59 Ca 0.39 0.27 -0.03 0.00 -0.36 0.00 0.00 55.97 56.25 1r9p s LYS 59 Cb 0.07 0.14 0.04 0.00 -1.51 0.00 0.00 37.83 36.57 1r9p s LYS 59 CO 0.13 -0.66 0.06 -0.08 -0.36 0.00 0.00 175.35 174.45 1r9p s THR 60 N 2.77 -0.04 -0.32 3.43 -1.32 -1.26 -1.40 115.64 117.50 1r9p s THR 60 Ca 0.19 0.20 0.02 0.00 -1.21 0.00 0.00 61.69 60.89 1r9p s THR 60 Cb -0.05 -0.33 0.15 0.00 -1.51 0.00 0.00 72.50 70.75 1r9p s THR 60 CO -0.23 0.05 0.36 -0.31 -2.21 0.00 0.00 174.62 172.28 1r9p s TYR 61 N 2.13 -0.60 0.00 9.09 2.02 -1.26 -4.89 117.35 123.85 1r9p s TYR 61 Ca 0.04 -0.23 0.00 0.00 -0.37 0.00 0.00 57.07 56.51 1r9p s TYR 61 Cb -0.13 -0.34 0.00 0.00 -0.40 0.00 0.00 41.96 41.09 1r9p s TYR 61 CO -0.05 -0.96 0.00 0.41 -1.57 0.00 0.00 175.55 173.38 1r9p n GLY 62 N 4.97 0.00 3.99 0.71 0.00 -1.26 -4.73 105.19 108.87 1r9p n GLY 62 Ca 0.03 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.86 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 -2.02 6.16 0.00 0.00 0.00 -1.26 -4.61 105.19 103.45 1r9p n GLY 64 Ca 0.06 -2.68 0.00 0.00 0.00 0.00 0.00 46.02 43.40 1r9p n GLY 64 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1r9p n SER 65 N -0.61 0.00 -0.01 1.61 2.88 -1.26 -4.95 113.62 111.28 1r9p n SER 65 Ca 0.41 -0.21 0.05 0.00 -1.33 0.00 0.00 58.87 57.80 1r9p n SER 65 Cb 0.84 0.00 -0.13 0.00 -0.75 0.00 0.00 64.21 64.17 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 0.00 2.38 -0.38 -1.46 0.00 -1.26 -4.30 120.51 115.49 1r9p n ALA 66 Ca 0.00 -0.65 0.33 0.00 0.00 0.00 0.00 53.44 53.12 1r9p n ALA 66 Cb 0.05 -0.71 0.56 0.00 0.00 0.00 0.00 19.45 19.35 1r9p n ALA 66 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.50 176.61 1r9p n ILE 67 N -2.51 -0.24 -0.06 0.00 -0.00 -1.26 -0.44 119.36 114.85 1r9p n ILE 67 Ca -0.10 1.56 -0.05 0.00 -0.00 0.00 0.00 62.75 64.16 1r9p n ILE 67 Cb 0.73 -2.56 -0.03 0.00 -0.00 0.00 0.00 39.64 37.78 1r9p n ILE 67 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.55 176.55 1r9p h ALA 68 N 1.41 0.02 -0.88 -1.39 0.00 -2.01 -3.36 119.26 113.05 1r9p h ALA 68 Ca 0.74 -0.29 0.17 0.00 0.00 0.00 0.00 54.91 55.53 1r9p h ALA 68 Cb 2.31 0.18 -0.16 0.00 0.00 0.00 0.00 17.79 20.12 1r9p h ALA 68 CO -0.44 0.17 -0.24 1.03 0.00 0.00 0.00 179.25 179.77 1r9p h SER 69 N -1.00 -0.89 -0.80 0.00 0.87 -0.95 1.00 113.55 111.77 1r9p h SER 69 Ca -0.03 0.27 0.11 0.00 -1.23 0.00 0.00 61.79 60.91 1r9p h SER 69 Cb 0.38 0.57 -0.12 0.00 -0.44 0.00 0.00 62.40 62.79 1r9p h SER 69 CO -0.02 -0.29 -0.37 -1.54 -0.53 0.00 0.00 176.83 174.08 1r9p n SER 70 N -5.55 -0.64 -0.10 6.23 3.41 0.07 0.23 113.62 117.26 1r9p n SER 70 Ca 0.13 1.41 -0.03 0.00 -0.26 0.00 0.00 58.87 60.12 1r9p n SER 70 Cb 0.44 -0.27 0.20 0.00 -0.26 0.00 0.00 64.21 64.31 1r9p n SER 70 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 175.04 175.16 1r9p h SER 71 N 0.00 0.72 0.00 4.04 0.02 -0.98 -2.36 113.55 114.99 1r9p h SER 71 Ca 0.23 -0.14 0.00 0.00 -0.84 0.00 0.00 61.79 61.04 1r9p h SER 71 Cb 0.43 -0.19 0.00 0.00 0.14 0.00 0.00 62.40 62.78 1r9p h SER 71 CO -0.78 0.74 0.00 -0.11 -1.14 0.00 0.00 176.83 175.54 1r9p n LEU 72 N -4.26 0.77 -0.24 5.07 7.94 0.62 -0.63 117.00 126.27 1r9p n LEU 72 Ca 0.03 0.39 0.21 0.00 -1.11 0.00 0.00 56.01 55.53 1r9p n LEU 72 Cb 0.25 -0.03 0.39 0.00 0.53 0.00 0.00 43.42 44.56 1r9p n LEU 72 CO 0.40 -0.03 0.75 0.00 -1.11 0.00 0.00 177.39 177.40 1r9p n ILE 73 N -0.59 -0.31 -0.02 1.96 3.06 0.10 0.36 119.36 123.91 1r9p n ILE 73 Ca 0.00 1.55 -0.06 0.00 -2.50 0.00 0.00 62.75 61.73 1r9p n ILE 73 Cb 0.00 -2.45 0.13 0.00 0.54 0.00 0.00 39.64 37.86 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 1.28 -0.01 9.51 1.35 -1.39 -1.88 112.91 121.77 1r9p h THR 74 Ca 0.59 -1.40 0.00 0.00 -0.55 0.00 0.00 66.41 65.05 1r9p h THR 74 Cb 1.51 1.38 0.00 0.00 -1.73 0.00 0.00 68.15 69.31 1r9p h THR 74 CO -0.60 0.45 -0.06 -0.62 -0.25 0.00 0.00 175.52 174.44 1r9p n GLU 75 N -4.08 1.10 -0.04 4.72 1.02 1.11 -3.52 120.64 120.95 1r9p n GLU 75 Ca -0.01 -0.43 0.03 0.00 -0.02 0.00 0.00 57.16 56.73 1r9p n GLU 75 Cb 0.45 -1.49 -0.16 0.00 -0.02 0.00 0.00 31.44 30.23 1r9p n GLU 75 CO 0.00 0.00 0.00 1.87 1.18 0.00 0.00 177.13 180.18 1r9p n TRP 76 N -0.57 0.00 -2.37 -0.32 -0.00 0.45 -4.46 117.44 110.17 1r9p n TRP 76 Ca 0.18 0.00 -0.30 0.00 -0.00 0.00 0.00 57.50 57.38 1r9p n TRP 76 Cb 0.26 -0.65 0.01 0.00 -0.00 0.00 0.00 31.31 30.93 1r9p n TRP 76 CO 0.00 0.00 0.00 1.33 -0.00 0.00 0.00 177.69 179.02 1r9p n VAL 77 N -2.40 2.69 -4.02 5.87 0.24 -0.76 -4.81 118.33 115.14 1r9p n VAL 77 Ca -0.14 -4.82 -0.31 0.00 -2.04 0.00 0.00 64.34 57.03 1r9p n VAL 77 Cb 0.76 -1.27 -0.15 0.00 -1.47 0.00 0.00 33.84 31.71 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 -3.66 1.50 0.00 7.34 2.20 -1.25 -4.62 119.74 121.26 1r9p s LYS 78 Ca 0.49 -1.85 0.00 0.00 -0.36 0.00 0.00 55.97 54.25 1r9p s LYS 78 Cb 0.41 -3.18 0.00 0.00 -1.51 0.00 0.00 37.83 33.55 1r9p s LYS 78 CO -0.24 -0.92 0.00 0.41 -0.36 0.00 0.00 175.35 174.24 1r9p n GLY 79 N 4.27 0.60 0.00 5.54 0.00 -0.50 -5.04 105.19 110.06 1r9p n GLY 79 Ca 0.03 -0.12 0.00 0.00 0.00 0.00 0.00 46.02 45.93 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 -2.77 0.77 -4.16 1.61 5.02 -1.26 -4.74 118.16 112.63 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 -0.06 0.00 -0.02 0.00 0.00 35.03 34.95 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 4.43 0.45 4.39 0.01 -1.26 -1.77 113.70 118.95 1r9p s SER 81 Ca 0.00 -1.20 0.19 0.00 1.31 0.00 0.00 55.95 56.25 1r9p s SER 81 Cb 0.00 -0.14 1.07 0.00 0.21 0.00 0.00 66.02 67.16 1r9p s SER 81 CO 0.00 -0.71 1.97 -0.07 0.41 0.00 0.00 173.24 174.83 1r9p h LEU 82 N 1.26 0.00 -2.37 2.44 3.38 -1.96 -1.33 115.31 116.74 1r9p h LEU 82 Ca -0.42 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.55 1r9p h LEU 82 Cb 1.27 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.02 1r9p h LEU 82 CO 0.68 0.21 0.00 1.05 0.09 0.00 0.00 178.44 180.47 1r9p h GLU 83 N 0.00 0.00 0.00 1.13 4.11 -1.91 0.16 114.58 118.07 1r9p h GLU 83 Ca -0.00 0.00 -0.36 0.00 0.07 0.00 0.00 59.36 59.07 1r9p h GLU 83 Cb 0.43 0.00 -0.07 0.00 0.50 0.00 0.00 28.75 29.62 1r9p h GLU 83 CO 0.03 0.00 -2.26 0.39 0.07 0.00 0.00 179.01 177.23 1r9p n GLU 84 N -3.02 0.68 0.14 1.06 -0.58 -0.54 -4.26 120.64 114.11 1r9p n GLU 84 Ca -0.02 0.07 0.02 0.00 -0.42 0.00 0.00 57.16 56.81 1r9p n GLU 84 Cb 0.15 -1.58 0.02 0.00 -0.57 0.00 0.00 31.44 29.46 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 0.88 0.66 -1.14 0.62 0.00 -0.97 -3.20 119.26 116.11 1r9p h ALA 85 Ca -0.50 -0.49 -0.78 0.00 0.00 0.00 0.00 54.91 53.14 1r9p h ALA 85 Cb 2.17 -0.09 -0.28 0.00 0.00 0.00 0.00 17.79 19.60 1r9p h ALA 85 CO 0.03 0.67 1.00 0.41 0.00 0.00 0.00 179.25 181.35 1r9p n GLY 86 N 1.22 5.81 0.00 0.00 0.00 0.50 -4.30 105.19 108.42 1r9p n GLY 86 Ca 0.02 -2.54 0.00 0.00 0.00 0.00 0.00 46.02 43.50 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 -0.32 0.00 -0.38 4.61 0.00 -1.25 -4.92 120.51 118.25 1r9p n ALA 87 Ca 0.50 0.00 0.36 0.00 0.00 0.00 0.00 53.44 54.30 1r9p n ALA 87 Cb 0.25 0.00 0.55 0.00 0.00 0.00 0.00 19.45 20.26 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 -0.59 0.00 -0.71 0.00 -5.35 -1.21 -4.82 119.36 106.68 1r9p n ILE 88 Ca 0.00 1.29 0.09 0.00 -0.27 0.00 0.00 62.75 63.86 1r9p n ILE 88 Cb 0.00 -2.25 -0.02 0.00 -1.74 0.00 0.00 39.64 35.63 1r9p n ILE 88 CO 0.00 0.00 0.00 1.17 -1.76 0.00 0.00 176.55 175.96 1r9p n LYS 89 N -3.41 -1.41 -0.10 6.28 4.81 -1.26 -4.10 118.16 118.97 1r9p n LYS 89 Ca 0.30 0.94 -0.16 0.00 -0.87 0.00 0.00 58.31 58.52 1r9p n LYS 89 Cb 1.65 -1.74 -0.06 0.00 0.02 0.00 0.00 35.03 34.90 1r9p n LYS 89 CO 0.00 0.00 0.00 0.27 1.17 0.00 0.00 177.40 178.84 1r9p n ASN 90 N -4.39 1.90 -0.16 3.14 6.94 -1.26 -4.04 115.26 117.39 1r9p n ASN 90 Ca 0.00 0.41 0.24 0.00 -0.02 0.00 0.00 54.58 55.22 1r9p n ASN 90 Cb 0.58 -0.83 0.37 0.00 -2.36 0.00 0.00 39.78 37.54 1r9p n ASN 90 CO 0.00 0.00 0.00 -1.20 -1.03 0.00 0.00 177.26 175.03 1r9p n SER 91 N -4.43 0.00 -0.06 0.53 7.64 -1.26 0.78 113.62 116.82 1r9p n SER 91 Ca -0.27 0.68 -0.10 0.00 1.01 0.00 0.00 58.87 60.19 1r9p n SER 91 Cb 0.59 -0.22 -0.09 0.00 -1.01 0.00 0.00 64.21 63.48 1r9p n SER 91 CO 0.00 0.00 0.00 -0.61 -3.01 0.00 0.00 175.04 171.42 1r9p h GLN 92 N 0.00 -0.01 -0.94 1.43 4.15 -1.73 -2.39 115.11 115.61 1r9p h GLN 92 Ca 0.42 0.00 0.02 0.00 0.77 0.00 0.00 58.65 59.86 1r9p h GLN 92 Cb 2.63 0.00 -0.05 0.00 0.21 0.00 0.00 27.48 30.28 1r9p h GLN 92 CO -0.00 0.67 0.62 0.97 -1.93 0.00 0.00 178.83 179.16 1r9p h ILE 93 N -0.98 1.21 -0.29 2.39 2.10 0.23 -0.65 117.51 121.52 1r9p h ILE 93 Ca -0.00 -0.43 -0.02 0.00 1.08 0.00 0.00 64.86 65.49 1r9p h ILE 93 Cb 0.69 -0.14 -0.01 0.00 -1.09 0.00 0.00 36.82 36.27 1r9p h ILE 93 CO 0.00 0.23 0.10 0.00 -1.08 0.00 0.00 178.15 177.40 1r9p h ALA 94 N 1.36 0.37 -0.78 0.18 0.00 -1.28 -0.75 119.26 118.37 1r9p h ALA 94 Ca 0.36 -0.13 0.01 0.00 0.00 0.00 0.00 54.91 55.15 1r9p h ALA 94 Cb -0.09 -0.11 -0.04 0.00 0.00 0.00 0.00 17.79 17.55 1r9p h ALA 94 CO -0.09 -0.02 0.51 1.49 0.00 0.00 0.00 179.25 181.14 1r9p h GLU 95 N 0.31 1.01 -0.44 0.00 4.22 -0.87 0.82 114.58 119.62 1r9p h GLU 95 Ca 0.09 -0.06 -0.10 0.00 0.08 0.00 0.00 59.36 59.37 1r9p h GLU 95 Cb 0.20 -0.23 -0.02 0.00 0.50 0.00 0.00 28.75 29.21 1r9p h GLU 95 CO -0.01 0.67 -0.14 1.49 -2.18 0.00 0.00 179.01 178.85 1r9p h GLU 96 N 1.04 0.82 0.00 1.92 4.57 -0.65 -2.28 114.58 119.99 1r9p h GLU 96 Ca 0.29 -0.29 -0.01 0.00 -1.18 0.00 0.00 59.36 58.17 1r9p h GLU 96 Cb -0.10 -0.06 -0.00 0.00 -0.16 0.00 0.00 28.75 28.43 1r9p h GLU 96 CO -0.07 0.91 -0.03 1.25 -1.18 0.00 0.00 179.01 179.89 1r9p h LEU 97 N 0.73 0.00 0.02 1.64 6.46 -0.04 -3.46 115.31 120.66 1r9p h LEU 97 Ca 0.12 0.00 -0.01 0.00 -0.12 0.00 0.00 57.88 57.87 1r9p h LEU 97 Cb 0.64 0.00 -0.00 0.00 -0.73 0.00 0.00 40.66 40.56 1r9p h LEU 97 CO 0.04 0.03 -0.01 1.21 -0.62 0.00 0.00 178.44 179.10 1r9p n GLU 98 N -3.11 -1.22 -2.12 1.25 2.13 0.18 -4.96 120.64 112.77 1r9p n GLU 98 Ca 0.02 0.33 -0.34 0.00 0.66 0.00 0.00 57.16 57.83 1r9p n GLU 98 Cb 0.43 -4.25 0.01 0.00 0.27 0.00 0.00 31.44 27.90 1r9p n GLU 98 CO 0.00 0.00 0.00 -0.48 -0.41 0.00 0.00 177.13 176.24 1r9p s LEU 99 N -0.08 3.60 0.96 4.31 2.34 -1.23 -5.02 118.68 123.57 1r9p s LEU 99 Ca 0.00 1.98 -0.12 0.00 0.06 0.00 0.00 54.13 56.05 1r9p s LEU 99 Cb 0.00 -4.55 0.17 0.00 -0.56 0.00 0.00 46.19 41.24 1r9p s LEU 99 CO 0.00 -1.22 1.09 -2.16 -1.06 0.00 0.00 176.35 172.99 1r9p s PRO 100 N -3.72 0.72 0.04 1.48 0.04 -1.26 -4.87 135.00 127.43 1r9p s PRO 100 Ca 0.67 0.88 -0.17 0.00 0.04 0.00 0.00 61.00 62.43 1r9p s PRO 100 Cb -0.19 -1.74 -0.26 0.00 0.04 0.00 0.00 34.50 32.34 1r9p s PRO 100 CO 0.32 -2.63 1.10 -1.00 0.04 0.00 0.00 177.00 174.84 1r9p h PRO 101 N -1.83 0.56 -5.34 0.56 0.13 -2.00 -3.42 132.00 120.65 1r9p h PRO 101 Ca -0.52 -0.68 -0.54 0.00 -0.87 0.00 0.00 66.00 63.39 1r9p h PRO 101 Cb 1.30 0.21 -0.06 0.00 0.13 0.00 0.00 31.00 32.58 1r9p h PRO 101 CO 0.53 1.28 1.65 1.55 -0.23 0.00 0.00 178.00 182.78 1r9p n VAL 102 N -3.95 0.00 -1.50 1.56 3.14 -1.26 -0.46 118.33 115.85 1r9p n VAL 102 Ca -0.12 -0.19 0.00 0.00 -2.96 0.00 0.00 64.34 61.07 1r9p n VAL 102 Cb 0.86 -1.09 0.00 0.00 -1.06 0.00 0.00 33.84 32.55 1r9p n VAL 102 CO 0.00 0.00 0.00 1.17 -6.46 0.00 0.00 176.83 171.54 1r9p n LYS 103 N 8.46 0.00 0.00 1.45 4.81 -1.26 -4.95 118.16 126.66 1r9p n LYS 103 Ca 0.56 0.00 0.15 0.00 -0.87 0.00 0.00 58.31 58.15 1r9p n LYS 103 Cb 0.15 -1.84 0.70 0.00 0.02 0.00 0.00 35.03 34.06 1r9p n LYS 103 CO 0.00 0.00 0.00 1.55 1.17 0.00 0.00 177.40 180.12 1r9p n VAL 104 N -0.82 0.00 -0.38 3.15 3.14 0.39 -4.25 118.33 119.55 1r9p n VAL 104 Ca 0.00 -0.07 -0.09 0.00 -2.96 0.00 0.00 64.34 61.22 1r9p n VAL 104 Cb 0.39 -0.15 -0.08 0.00 -1.06 0.00 0.00 33.84 32.94 1r9p n VAL 104 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 1r9p n HIS 105 N -0.81 -0.36 -0.24 1.45 1.44 -1.26 0.50 115.22 115.94 1r9p n HIS 105 Ca 0.18 1.15 0.06 0.00 -2.01 0.00 0.00 57.72 57.10 1r9p n HIS 105 Cb 0.24 -0.61 0.13 0.00 0.12 0.00 0.00 29.99 29.87 1r9p n HIS 105 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 1r9p h SER 107 N 0.00 -0.81 -1.00 0.00 0.02 -0.27 -2.71 113.55 108.78 1r9p h SER 107 Ca 0.35 0.03 0.36 0.00 -0.84 0.00 0.00 61.79 61.68 1r9p h SER 107 Cb 0.60 0.21 -0.16 0.00 0.14 0.00 0.00 62.40 63.19 1r9p h SER 107 CO -0.66 -0.46 0.55 0.40 -1.14 0.00 0.00 176.83 175.52 1r9p h ILE 108 N -1.20 0.18 0.47 3.27 2.04 0.06 0.41 117.51 122.73 1r9p h ILE 108 Ca -0.10 -0.06 -0.02 0.00 1.00 0.00 0.00 64.86 65.68 1r9p h ILE 108 Cb 0.73 -0.03 -0.01 0.00 -0.74 0.00 0.00 36.82 36.78 1r9p h ILE 108 CO 0.16 0.03 -0.33 0.25 0.00 0.00 0.00 178.15 178.27 1r9p h LEU 109 N 0.19 -0.84 -0.81 1.44 5.85 -0.50 -0.69 115.31 119.94 1r9p h LEU 109 Ca 0.78 0.05 0.24 0.00 0.84 0.00 0.00 57.88 59.80 1r9p h LEU 109 Cb 1.90 0.26 -0.15 0.00 0.37 0.00 0.00 40.66 43.03 1r9p h LEU 109 CO -0.68 -0.48 0.09 0.00 -0.34 0.00 0.00 178.44 177.04 1r9p n ALA 110 N -2.54 0.49 0.24 1.25 0.00 0.11 0.55 120.51 120.60 1r9p n ALA 110 Ca -0.09 0.86 -0.15 0.00 0.00 0.00 0.00 53.44 54.07 1r9p n ALA 110 Cb 0.32 -0.67 -0.08 0.00 0.00 0.00 0.00 19.45 19.02 1r9p n ALA 110 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 1r9p h GLU 111 N 0.00 -0.58 0.00 0.00 4.57 -1.13 -2.34 114.58 115.10 1r9p h GLU 111 Ca 0.53 0.04 0.00 0.00 -1.18 0.00 0.00 59.36 58.75 1r9p h GLU 111 Cb 1.16 0.13 0.00 0.00 -0.16 0.00 0.00 28.75 29.88 1r9p h GLU 111 CO -0.74 -0.29 0.13 -0.44 -1.18 0.00 0.00 179.01 176.49 1r9p h ASP 112 N -0.84 0.00 0.01 1.04 3.32 0.16 -1.70 116.42 118.41 1r9p h ASP 112 Ca -0.06 0.00 -0.00 0.00 0.02 0.00 0.00 57.03 56.99 1r9p h ASP 112 Cb 0.56 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.11 1r9p h ASP 112 CO 0.10 0.00 -0.00 0.00 -1.72 0.00 0.00 179.24 177.62 1r9p h ALA 113 N 1.73 -0.01 -0.14 3.45 0.00 0.06 -1.86 119.26 122.49 1r9p h ALA 113 Ca 0.00 -0.32 -0.01 0.00 0.00 0.00 0.00 54.91 54.58 1r9p h ALA 113 Cb 0.26 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.05 1r9p h ALA 113 CO 0.00 -0.18 0.05 0.97 0.00 0.00 0.00 179.25 180.08 1r9p h ILE 114 N -0.66 1.06 0.27 0.00 6.09 -1.00 -2.67 117.51 120.59 1r9p h ILE 114 Ca -0.00 -0.20 -0.01 0.00 -1.37 0.00 0.00 64.86 63.27 1r9p h ILE 114 Cb 0.64 0.91 0.00 0.00 0.47 0.00 0.00 36.82 38.85 1r9p h ILE 114 CO 0.00 0.07 -0.13 0.50 -3.07 0.00 0.00 178.15 175.53 1r9p h LYS 115 N 0.19 -0.35 -0.65 2.19 3.64 -1.42 -2.10 116.57 118.07 1r9p h LYS 115 Ca 0.05 0.02 0.12 0.00 -1.27 0.00 0.00 60.65 59.57 1r9p h LYS 115 Cb 0.05 0.08 -0.12 0.00 -0.41 0.00 0.00 32.23 31.83 1r9p h LYS 115 CO -0.00 0.00 -0.27 0.00 -2.27 0.00 0.00 179.45 176.91 1r9p h ALA 116 N -0.43 0.17 0.41 5.00 0.00 -1.10 -1.24 119.26 122.08 1r9p h ALA 116 Ca -0.04 0.21 -0.02 0.00 0.00 0.00 0.00 54.91 55.07 1r9p h ALA 116 Cb 0.51 0.68 0.00 0.00 0.00 0.00 0.00 17.79 18.99 1r9p h ALA 116 CO 0.06 -0.57 -0.21 0.00 0.00 0.00 0.00 179.25 178.53 1r9p h ALA 117 N 1.30 -1.13 -1.36 0.00 0.00 -1.53 -1.00 119.26 115.55 1r9p h ALA 117 Ca 0.28 -0.12 0.43 0.00 0.00 0.00 0.00 54.91 55.50 1r9p h ALA 117 Cb 0.54 0.26 -0.10 0.00 0.00 0.00 0.00 17.79 18.49 1r9p h ALA 117 CO -0.71 -1.09 0.92 -0.89 0.00 0.00 0.00 179.25 177.48 1r9p n ILE 118 N -3.60 -0.13 0.03 0.00 5.41 -0.79 -0.59 119.36 119.69 1r9p n ILE 118 Ca -0.07 1.43 -0.02 0.00 1.00 0.00 0.00 62.75 65.08 1r9p n ILE 118 Cb 0.23 -2.35 -0.01 0.00 -0.71 0.00 0.00 39.64 36.80 1r9p n ILE 118 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1r9p h ALA 119 N 1.16 -0.22 0.00 -1.39 0.00 -0.56 -2.70 119.26 115.55 1r9p h ALA 119 Ca 0.76 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.64 1r9p h ALA 119 Cb 2.70 0.06 0.00 0.00 0.00 0.00 0.00 17.79 20.54 1r9p h ALA 119 CO -0.25 -0.21 0.06 -3.47 0.00 0.00 0.00 179.25 175.37 1r9p n ASP 120 N -3.75 0.00 -0.10 0.00 -0.08 0.24 -1.04 116.55 111.82 1r9p n ASP 120 Ca -0.02 0.09 -0.14 0.00 -1.51 0.00 0.00 54.79 53.21 1r9p n ASP 120 Cb 0.06 -0.09 -0.05 0.00 2.34 0.00 0.00 41.12 43.38 1r9p n ASP 120 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1r9p n TYR 121 N -0.96 0.18 0.21 -0.67 9.36 -0.33 -4.25 117.16 120.69 1r9p n TYR 121 Ca 0.00 0.08 0.07 0.00 3.32 0.00 0.00 57.90 61.36 1r9p n TYR 121 Cb 0.06 -0.69 0.46 0.00 -0.63 0.00 0.00 39.34 38.53 1r9p n TYR 121 CO 0.00 0.00 0.00 0.87 0.22 0.00 0.00 176.86 177.95 1r9p h LYS 122 N -1.00 0.00 -0.26 2.98 1.57 -1.01 -2.59 116.57 116.27 1r9p h LYS 122 Ca -0.20 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.58 1r9p h LYS 122 Cb 1.11 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.41 1r9p h LYS 122 CO -0.12 0.30 0.17 0.00 -0.57 0.00 0.00 179.45 179.23 1r9p h ALA 123 N 1.70 1.80 -0.34 3.86 0.00 -1.30 0.26 119.26 125.24 1r9p h ALA 123 Ca -0.00 -0.02 -0.17 0.00 0.00 0.00 0.00 54.91 54.72 1r9p h ALA 123 Cb 0.66 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 18.34 1r9p h ALA 123 CO 0.04 0.18 -0.45 0.87 0.00 0.00 0.00 179.25 179.89 1r9p h LYS 124 N 0.36 0.91 -0.79 0.00 1.79 -1.64 -3.07 116.57 114.12 1r9p h LYS 124 Ca 0.10 -0.52 -0.39 0.00 -2.18 0.00 0.00 60.65 57.66 1r9p h LYS 124 Cb -0.03 0.04 -0.23 0.00 -1.58 0.00 0.00 32.23 30.42 1r9p h LYS 124 CO -0.02 1.17 0.41 0.00 -1.08 0.00 0.00 179.45 179.93 1r9p n GLN 125 N -4.05 2.36 0.00 3.15 10.64 -0.71 -4.51 117.38 124.25 1r9p n GLN 125 Ca -0.03 -3.06 0.00 0.00 -1.83 0.00 0.00 57.00 52.08 1r9p n GLN 125 Cb 0.58 -2.09 0.00 0.00 -0.86 0.00 0.00 30.24 27.87 1r9p n GLN 125 CO 0.00 0.00 0.00 0.41 -1.83 0.00 0.00 177.06 175.64 1r9p n GLY 126 N -1.00 0.49 1.81 2.61 0.00 0.83 -4.73 105.19 105.20 1r9p n GLY 126 Ca 0.50 0.00 -0.00 0.00 0.00 0.00 0.00 46.02 46.52 1r9p n GLY 126 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1r9p n LEU 127 N 0.00 2.49 -3.08 0.99 4.32 -1.26 -4.06 117.00 116.40 1r9p n LEU 127 Ca 0.00 -1.18 -0.18 0.00 -0.02 0.00 0.00 56.01 54.63 1r9p n LEU 127 Cb 0.00 -0.54 -0.04 0.00 -1.62 0.00 0.00 43.42 41.22 1r9p n LEU 127 CO 0.00 0.48 -0.13 -0.62 -1.22 0.00 0.00 177.39 175.89 1r9p n GLU 128 N 1.85 0.56 -0.21 3.23 1.02 -1.26 -4.95 120.64 120.89 1r9p n GLU 128 Ca 0.02 -2.70 0.03 0.00 -0.02 0.00 0.00 57.16 54.49 1r9p n GLU 128 Cb 0.25 -1.42 0.12 0.00 -0.02 0.00 0.00 31.44 30.37 1r9p n GLU 128 CO 0.00 0.00 0.00 0.72 1.18 0.00 0.00 177.13 179.03 1r9p n HIS 129 N 2.06 0.51 0.00 -0.32 8.25 -1.26 -4.78 115.22 119.68 1r9p n HIS 129 Ca 0.20 -0.20 0.00 0.00 -0.26 0.00 0.00 57.72 57.46 1r9p n HIS 129 Cb 0.54 -0.12 0.00 0.00 1.12 0.00 0.00 29.99 31.54 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 0.21 0.00 0.00 4.41 8.25 -1.26 -5.16 115.22 121.67 1r9p n HIS 130 Ca 0.09 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.55 1r9p n HIS 130 Cb 0.38 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.49 1r9p n HIS 130 CO 0.00 0.00 0.00 1.58 0.64 0.00 0.00 176.34 178.56 1r9p n HIS 131 N 0.00 0.00 -1.87 4.41 -0.00 -1.26 -5.03 115.22 111.46 1r9p n HIS 131 Ca 0.00 0.00 -0.22 0.00 0.46 0.00 0.00 57.72 57.96 1r9p n HIS 131 Cb 0.00 0.00 -0.06 0.00 -0.12 0.00 0.00 29.99 29.81 1r9p n HIS 131 CO 0.00 0.00 0.00 -1.58 0.46 0.00 0.00 176.34 175.22 1r9p s HIS 132 N 2.10 1.56 -0.08 1.57 2.46 -1.26 -4.89 115.29 116.75 1r9p s HIS 132 Ca 0.00 1.14 0.02 0.00 0.47 0.00 0.00 55.06 56.69 1r9p s HIS 132 Cb 0.00 -3.81 0.01 0.00 -0.13 0.00 0.00 32.58 28.65 1r9p s HIS 132 CO 0.00 -1.64 -0.14 -1.58 -2.47 0.00 0.00 174.74 168.92 1r9p s HIS 133 N 11.94 1.69 0.00 3.88 5.04 -1.26 -5.22 115.29 131.37 1r9p s HIS 133 Ca 0.78 -0.69 0.00 0.00 -1.54 0.00 0.00 55.06 53.61 1r9p s HIS 133 Cb -0.09 -1.23 0.00 0.00 0.04 0.00 0.00 32.58 31.31 1r9p s HIS 133 CO 0.03 -0.35 0.00 -2.39 -2.34 0.00 0.00 174.74 169.69