#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 -0.33 3.04 0.00 -1.26 -5.05 120.51 116.91 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 -0.70 -3.34 0.00 4.19 -1.26 -5.09 117.16 110.96 1r9p n TYR 3 Ca 0.00 0.00 -0.23 0.00 3.31 0.00 0.00 57.90 60.98 1r9p n TYR 3 Cb 0.00 0.34 0.02 0.00 0.49 0.00 0.00 39.34 40.19 1r9p n TYR 3 CO 0.00 0.00 0.00 0.43 0.91 0.00 0.00 176.86 178.20 1r9p n SER 4 N -2.01 -6.06 -3.47 2.98 7.64 -1.26 -4.97 113.62 106.47 1r9p n SER 4 Ca 0.00 0.12 -0.19 0.00 1.01 0.00 0.00 58.87 59.81 1r9p n SER 4 Cb 0.00 -1.89 -0.12 0.00 -1.01 0.00 0.00 64.21 61.19 1r9p n SER 4 CO 0.00 0.00 0.00 -0.70 -3.01 0.00 0.00 175.04 171.33 1r9p s GLU 5 N -1.90 0.23 0.00 1.43 2.12 -1.26 -4.94 118.70 114.38 1r9p s GLU 5 Ca 0.23 0.00 0.00 0.00 0.36 0.00 0.00 54.97 55.56 1r9p s GLU 5 Cb -0.03 -1.04 0.00 0.00 0.26 0.00 0.00 34.13 33.33 1r9p s GLU 5 CO 0.55 -0.82 0.00 1.17 -0.54 0.00 0.00 175.26 175.62 1r9p n LYS 6 N 5.31 0.00 0.00 4.30 4.81 -1.26 -5.02 118.16 126.30 1r9p n LYS 6 Ca -0.04 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.40 1r9p n LYS 6 Cb 0.48 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.53 1r9p n LYS 6 CO 0.00 0.00 0.00 0.28 1.17 0.00 0.00 177.40 178.85 1r9p n VAL 7 N -0.28 0.00 -1.66 3.15 0.31 -1.26 -4.40 118.33 114.20 1r9p n VAL 7 Ca 0.00 1.18 -0.52 0.00 -0.01 0.00 0.00 64.34 64.99 1r9p n VAL 7 Cb 0.00 -2.04 -0.06 0.00 -0.91 0.00 0.00 33.84 30.83 1r9p n VAL 7 CO 0.00 0.00 0.00 -0.38 -1.32 0.00 0.00 176.83 175.13 1r9p n ILE 8 N -1.24 0.41 -3.62 2.52 5.41 -1.26 -4.90 119.36 116.67 1r9p n ILE 8 Ca 0.00 -0.11 -0.09 0.00 1.00 0.00 0.00 62.75 63.55 1r9p n ILE 8 Cb 0.00 -1.59 -0.06 0.00 -0.71 0.00 0.00 39.64 37.28 1r9p n ILE 8 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 176.55 175.93 1r9p s ASP 9 N 4.44 -0.40 -0.30 4.38 2.15 -1.26 -5.15 116.67 120.52 1r9p s ASP 9 Ca 0.98 0.69 -0.18 0.00 0.43 0.00 0.00 52.55 54.47 1r9p s ASP 9 Cb -0.87 0.67 0.18 0.00 -0.30 0.00 0.00 42.92 42.60 1r9p s ASP 9 CO 0.57 -0.20 1.22 -1.38 -0.17 0.00 0.00 175.17 175.21 1r9p s HIS 10 N -0.18 -0.17 0.00 -5.34 -3.43 -1.26 -5.18 115.29 99.73 1r9p s HIS 10 Ca 0.02 0.24 0.00 0.00 -0.80 0.00 0.00 55.06 54.52 1r9p s HIS 10 Cb -0.04 0.08 0.00 0.00 -1.43 0.00 0.00 32.58 31.19 1r9p s HIS 10 CO -0.04 -0.09 0.00 2.48 -2.00 0.00 0.00 174.74 175.08 1r9p n TYR 11 N 5.04 0.00 -4.27 0.38 0.18 -1.26 -5.15 117.16 112.08 1r9p n TYR 11 Ca -0.08 0.00 -0.34 0.00 1.88 0.00 0.00 57.90 59.36 1r9p n TYR 11 Cb 0.55 0.00 -0.09 0.00 -0.38 0.00 0.00 39.34 39.42 1r9p n TYR 11 CO 0.00 0.00 0.00 -1.21 -2.08 0.00 0.00 176.86 173.57 1r9p s GLU 12 N -0.30 2.97 0.10 -3.48 2.02 -1.26 -5.11 118.70 113.64 1r9p s GLU 12 Ca 0.00 -0.46 -0.03 0.00 0.02 0.00 0.00 54.97 54.50 1r9p s GLU 12 Cb 0.00 -2.80 -0.03 0.00 0.10 0.00 0.00 34.13 31.40 1r9p s GLU 12 CO 0.00 0.68 0.06 0.54 0.02 0.00 0.00 175.26 176.56 1r9p s ASN 13 N -1.24 0.33 0.00 -0.19 2.20 -1.26 -5.10 114.94 109.68 1r9p s ASN 13 Ca 0.17 -1.02 0.00 0.00 -0.94 0.00 0.00 52.86 51.07 1r9p s ASN 13 Cb -0.12 0.28 0.00 0.00 -2.00 0.00 0.00 41.25 39.41 1r9p s ASN 13 CO 0.07 -0.70 0.51 -0.81 -2.94 0.00 0.00 177.10 173.23 1r9p n PRO 14 N -0.02 0.00 -1.46 3.55 -0.04 -1.26 -4.79 135.00 130.97 1r9p n PRO 14 Ca -0.10 0.33 -0.37 0.00 -0.04 0.00 0.00 63.50 63.32 1r9p n PRO 14 Cb 0.62 -1.14 0.05 0.00 -0.04 0.00 0.00 33.50 33.00 1r9p n PRO 14 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 1r9p n ARG 15 N -1.49 0.58 -2.67 0.54 1.74 -1.26 -4.94 116.66 109.15 1r9p n ARG 15 Ca 0.00 0.23 -0.04 0.00 -0.77 0.00 0.00 57.85 57.27 1r9p n ARG 15 Cb 0.00 -1.93 0.10 0.00 -1.02 0.00 0.00 32.46 29.61 1r9p n ARG 15 CO 0.00 0.00 0.00 -1.71 -1.52 0.00 0.00 177.63 174.40 1r9p n ASN 16 N -0.32 -1.38 -4.68 0.55 5.15 -1.26 -5.13 115.26 108.19 1r9p n ASN 16 Ca 0.12 -2.10 -0.44 0.00 -0.60 0.00 0.00 54.58 51.56 1r9p n ASN 16 Cb 0.48 1.24 -0.02 0.00 -0.53 0.00 0.00 39.78 40.96 1r9p n ASN 16 CO 0.00 0.00 0.00 0.52 1.40 0.00 0.00 177.26 179.18 1r9p n VAL 17 N 0.34 1.28 -0.36 3.44 0.31 -1.26 -3.24 118.33 118.84 1r9p n VAL 17 Ca -0.06 -0.32 0.00 0.00 -0.01 0.00 0.00 64.34 63.95 1r9p n VAL 17 Cb 0.74 -1.50 0.00 0.00 -0.91 0.00 0.00 33.84 32.18 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 1.74 1.40 0.00 2.92 0.00 -1.26 -5.04 105.19 104.95 1r9p n GLY 18 Ca 0.10 -0.13 0.00 0.00 0.00 0.00 0.00 46.02 45.99 1r9p n GLY 18 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1r9p n SER 19 N 0.28 0.00 -3.48 1.61 7.64 -1.20 -4.80 113.62 113.67 1r9p n SER 19 Ca 0.00 0.00 -0.24 0.00 1.01 0.00 0.00 58.87 59.64 1r9p n SER 19 Cb 0.08 0.00 0.01 0.00 -1.01 0.00 0.00 64.21 63.29 1r9p n SER 19 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 1r9p n LEU 20 N 0.00 -3.53 -3.63 -3.43 4.77 -1.26 -4.96 117.00 104.95 1r9p n LEU 20 Ca 0.00 -0.39 -0.03 0.00 -0.03 0.00 0.00 56.01 55.56 1r9p n LEU 20 Cb 0.00 -2.08 -0.03 0.00 -2.33 0.00 0.00 43.42 38.98 1r9p n LEU 20 CO 0.00 -0.30 1.12 -0.62 -1.33 0.00 0.00 177.39 176.27 1r9p s ASP 21 N -2.43 -0.06 0.47 -1.43 -1.08 -1.26 -4.99 116.67 105.88 1r9p s ASP 21 Ca 0.16 0.05 0.32 0.00 -0.52 0.00 0.00 52.55 52.56 1r9p s ASP 21 Cb -0.02 0.06 1.43 0.00 -1.46 0.00 0.00 42.92 42.92 1r9p s ASP 21 CO 0.85 -0.07 1.95 0.11 0.52 0.00 0.00 175.17 178.53 1r9p h LYS 22 N 2.07 0.00 -0.71 4.34 1.57 -1.96 -1.74 116.57 120.14 1r9p h LYS 22 Ca -0.07 0.00 -0.06 0.00 -1.87 0.00 0.00 60.65 58.65 1r9p h LYS 22 Cb 1.17 0.00 -0.04 0.00 0.08 0.00 0.00 32.23 33.44 1r9p h LYS 22 CO 0.22 0.00 0.08 1.63 -0.57 0.00 0.00 179.45 180.80 1r9p n LYS 23 N -2.80 3.83 -3.61 3.15 4.76 -1.26 -4.93 118.16 117.31 1r9p n LYS 23 Ca 0.00 -2.51 -0.20 0.00 -2.87 0.00 0.00 58.31 52.73 1r9p n LYS 23 Cb 0.22 -2.09 -0.01 0.00 -1.84 0.00 0.00 35.03 31.31 1r9p n LYS 23 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 1r9p s ASP 24 N -0.65 6.11 -0.01 4.39 1.01 -0.65 -5.01 116.67 121.85 1r9p s ASP 24 Ca 0.44 -0.02 0.13 0.00 0.71 0.00 0.00 52.55 53.80 1r9p s ASP 24 Cb 0.34 -1.53 0.37 0.00 1.01 0.00 0.00 42.92 43.11 1r9p s ASP 24 CO 0.12 -0.31 1.31 -0.24 0.21 0.00 0.00 175.17 176.26 1r9p n SER 25 N -1.60 3.14 -0.48 0.27 2.88 -1.26 -4.42 113.62 112.15 1r9p n SER 25 Ca -0.04 -2.04 0.03 0.00 -1.33 0.00 0.00 58.87 55.49 1r9p n SER 25 Cb 0.58 -0.28 0.04 0.00 -0.75 0.00 0.00 64.21 63.79 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 0.65 0.72 -4.24 -3.46 4.13 -1.26 -4.70 115.26 107.10 1r9p n ASN 26 Ca 0.14 -2.33 -0.32 0.00 1.68 0.00 0.00 54.58 53.74 1r9p n ASN 26 Cb 0.48 -0.28 -0.16 0.00 -1.54 0.00 0.00 39.78 38.28 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 -0.82 2.33 -0.25 2.41 1.01 -1.26 -1.61 120.40 122.22 1r9p s VAL 27 Ca 0.12 -0.91 -0.08 0.00 0.00 0.00 0.00 61.98 61.11 1r9p s VAL 27 Cb 0.11 -1.93 -0.04 0.00 0.00 0.00 0.00 36.38 34.52 1r9p s VAL 27 CO -0.01 0.54 0.10 -0.83 0.00 0.00 0.00 175.10 174.91 1r9p s GLY 28 N 0.56 1.83 -0.26 4.51 0.00 -0.67 -4.51 107.32 108.78 1r9p s GLY 28 Ca -0.12 -1.05 -0.09 0.00 0.00 0.00 0.00 44.72 43.45 1r9p s GLY 28 CO 0.04 0.49 0.13 -1.59 0.00 0.00 0.00 173.10 172.17 1r9p s THR 29 N 1.45 4.86 -0.36 0.90 2.01 -1.25 -2.17 115.64 121.08 1r9p s THR 29 Ca 0.06 0.02 0.01 0.00 0.31 0.00 0.00 61.69 62.09 1r9p s THR 29 Cb -0.15 -3.29 0.10 0.00 0.01 0.00 0.00 72.50 69.17 1r9p s THR 29 CO 0.05 0.30 0.10 -0.83 -0.69 0.00 0.00 174.62 173.55 1r9p s GLY 30 N 1.61 1.94 -0.13 4.40 0.00 -0.04 -4.27 107.32 110.83 1r9p s GLY 30 Ca 0.07 -2.49 -0.13 0.00 0.00 0.00 0.00 44.72 42.17 1r9p s GLY 30 CO 0.07 0.95 0.27 -0.29 0.00 0.00 0.00 173.10 174.10 1r9p s MET 31 N 1.00 4.07 0.09 2.90 1.75 -1.26 -1.64 119.30 126.21 1r9p s MET 31 Ca 0.09 0.08 0.03 0.00 -1.25 0.00 0.00 55.69 54.64 1r9p s MET 31 Cb -0.20 -3.36 -0.03 0.00 2.84 0.00 0.00 34.83 34.07 1r9p s MET 31 CO -0.06 0.40 -0.10 0.14 -0.65 0.00 0.00 175.02 174.74 1r9p s VAL 32 N -0.01 0.89 0.03 10.11 -7.23 -0.40 -5.01 120.40 118.78 1r9p s VAL 32 Ca 0.17 -1.57 0.08 0.00 -1.81 0.00 0.00 61.98 58.85 1r9p s VAL 32 Cb -0.13 -1.27 -0.03 0.00 0.56 0.00 0.00 36.38 35.51 1r9p s VAL 32 CO 0.05 -0.54 -0.23 -0.83 -0.31 0.00 0.00 175.10 173.24 1r9p s GLY 33 N -2.33 1.44 -0.23 2.32 0.00 -1.26 -1.41 107.32 105.84 1r9p s GLY 33 Ca 0.03 -1.21 -0.02 0.00 0.00 0.00 0.00 44.72 43.52 1r9p s GLY 33 CO -0.00 -1.08 0.04 0.00 0.00 0.00 0.00 173.10 172.05 1r9p s ALA 34 N -0.81 1.34 -1.44 3.20 0.00 0.42 -4.97 121.76 119.50 1r9p s ALA 34 Ca 0.12 -1.10 0.00 0.00 0.00 0.00 0.00 51.96 50.98 1r9p s ALA 34 Cb -0.10 -1.35 0.00 0.00 0.00 0.00 0.00 23.12 21.66 1r9p s ALA 34 CO 0.02 -1.32 0.60 -0.35 0.00 0.00 0.00 175.76 174.71 1r9p n PRO 35 N 4.92 0.83 0.00 0.00 -0.04 -1.26 -2.12 135.00 137.32 1r9p n PRO 35 Ca -0.08 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.38 1r9p n PRO 35 Cb 0.45 -1.23 0.00 0.00 -0.04 0.00 0.00 33.50 32.68 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 -0.17 0.00 -0.05 0.55 0.00 -1.26 -4.98 120.51 114.59 1r9p n ALA 36 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1r9p n ALA 36 Cb 0.12 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.57 1r9p n ALA 36 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1r9p n GLY 38 N -0.31 -1.33 7.00 0.00 0.00 -1.26 -0.28 105.19 109.02 1r9p n GLY 38 Ca 0.00 -0.32 0.00 0.00 0.00 0.00 0.00 46.02 45.70 1r9p n GLY 38 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1r9p n ASP 39 N -2.22 -0.22 -4.77 1.61 2.03 -0.90 -3.83 116.55 108.25 1r9p n ASP 39 Ca 0.01 0.00 -0.39 0.00 0.52 0.00 0.00 54.79 54.93 1r9p n ASP 39 Cb 0.48 0.00 -0.06 0.00 -0.72 0.00 0.00 41.12 40.82 1r9p n ASP 39 CO 0.00 0.00 0.00 -0.69 -1.92 0.00 0.00 177.20 174.59 1r9p s VAL 40 N 0.00 4.76 -0.03 5.18 1.01 -1.26 -0.43 120.40 129.63 1r9p s VAL 40 Ca 0.00 1.39 0.04 0.00 0.00 0.00 0.00 61.98 63.41 1r9p s VAL 40 Cb 0.00 -3.99 -0.01 0.00 0.00 0.00 0.00 36.38 32.38 1r9p s VAL 40 CO 0.00 0.45 -0.16 -0.32 0.00 0.00 0.00 175.10 175.07 1r9p s MET 41 N -0.48 1.49 -0.13 2.72 1.75 -0.50 -3.38 119.30 120.77 1r9p s MET 41 Ca 0.33 -0.56 0.01 0.00 -1.25 0.00 0.00 55.69 54.22 1r9p s MET 41 Cb -0.20 -1.36 0.02 0.00 2.84 0.00 0.00 34.83 36.13 1r9p s MET 41 CO 0.20 0.28 -0.16 -1.14 -0.65 0.00 0.00 175.02 173.55 1r9p s GLN 42 N -0.13 2.33 -0.13 4.11 0.74 -0.69 -1.27 119.66 124.62 1r9p s GLN 42 Ca 0.01 -0.59 0.03 0.00 0.05 0.00 0.00 55.36 54.86 1r9p s GLN 42 Cb -0.09 -2.02 0.01 0.00 1.10 0.00 0.00 33.01 32.00 1r9p s GLN 42 CO 0.01 -0.12 -0.22 -1.17 -0.55 0.00 0.00 175.29 173.23 1r9p s LEU 43 N 1.15 2.11 0.03 3.68 2.96 -0.65 -2.18 118.68 125.78 1r9p s LEU 43 Ca -0.02 -0.59 0.09 0.00 -0.22 0.00 0.00 54.13 53.39 1r9p s LEU 43 Cb -0.14 -1.44 -0.03 0.00 0.50 0.00 0.00 46.19 45.08 1r9p s LEU 43 CO -0.05 0.10 -0.25 -1.10 -1.32 0.00 0.00 176.35 173.73 1r9p s GLN 44 N 0.67 1.89 -0.03 1.98 -0.21 -0.86 -0.86 119.66 122.24 1r9p s GLN 44 Ca -0.11 -1.06 0.02 0.00 0.02 0.00 0.00 55.36 54.23 1r9p s GLN 44 Cb -0.16 -2.01 0.01 0.00 1.00 0.00 0.00 33.01 31.84 1r9p s GLN 44 CO 0.01 0.52 -0.08 0.96 -2.12 0.00 0.00 175.29 174.59 1r9p s ILE 45 N -0.78 0.71 -0.13 1.08 -5.25 -0.92 -2.33 121.20 113.57 1r9p s ILE 45 Ca 0.12 -0.29 -0.06 0.00 -0.99 0.00 0.00 60.65 59.43 1r9p s ILE 45 Cb -0.10 -0.65 -0.04 0.00 2.95 0.00 0.00 42.46 44.62 1r9p s ILE 45 CO 0.02 0.24 0.08 -0.75 -1.79 0.00 0.00 174.94 172.73 1r9p s LYS 46 N 0.39 3.49 -0.06 0.37 2.20 -0.68 -1.67 119.74 123.78 1r9p s LYS 46 Ca -0.06 -0.27 0.06 0.00 -0.36 0.00 0.00 55.97 55.34 1r9p s LYS 46 Cb -0.10 -3.09 -0.01 0.00 -1.51 0.00 0.00 37.83 33.11 1r9p s LYS 46 CO 0.01 0.60 -0.23 0.08 -0.36 0.00 0.00 175.35 175.44 1r9p s VAL 47 N -0.54 2.24 0.10 4.02 1.01 -0.63 -3.00 120.40 123.59 1r9p s VAL 47 Ca 0.11 -1.00 -0.22 0.00 0.00 0.00 0.00 61.98 60.87 1r9p s VAL 47 Cb -0.12 -1.82 -0.12 0.00 0.00 0.00 0.00 36.38 34.32 1r9p s VAL 47 CO 0.02 0.57 1.75 -0.78 0.00 0.00 0.00 175.10 176.66 1r9p h ASP 48 N 5.95 0.05 0.00 3.32 1.82 -1.78 -3.46 116.42 122.32 1r9p h ASP 48 Ca -0.34 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.30 1r9p h ASP 48 Cb 1.17 -0.01 0.00 0.00 0.68 0.00 0.00 39.33 41.17 1r9p h ASP 48 CO 0.48 0.04 0.00 -0.90 -1.61 0.00 0.00 179.24 177.25 1r9p n ASP 49 N -5.06 0.00 -0.11 2.28 5.68 -1.26 -4.98 116.55 113.10 1r9p n ASP 49 Ca -0.06 0.00 -0.13 0.00 -0.50 0.00 0.00 54.79 54.10 1r9p n ASP 49 Cb 0.03 0.00 -0.14 0.00 -1.14 0.00 0.00 41.12 39.88 1r9p n ASP 49 CO 0.00 0.00 0.00 -0.46 -1.33 0.00 0.00 177.20 175.41 1r9p n ASN 50 N 0.00 0.98 0.00 -1.12 0.23 -1.26 -4.99 115.26 109.10 1r9p n ASN 50 Ca 0.00 -0.06 0.00 0.00 -0.53 0.00 0.00 54.58 53.99 1r9p n ASN 50 Cb 0.00 0.37 0.00 0.00 -2.08 0.00 0.00 39.78 38.07 1r9p n ASN 50 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1r9p n GLY 51 N 2.01 0.25 3.73 4.83 0.00 -1.26 -5.02 105.19 109.74 1r9p n GLY 51 Ca -0.38 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.23 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 0.00 3.82 -0.99 -0.61 -1.09 -1.26 -2.56 121.20 118.51 1r9p s ILE 52 Ca 0.00 1.50 -0.20 0.00 -2.23 0.00 0.00 60.65 59.71 1r9p s ILE 52 Cb 0.00 -3.96 0.09 0.00 -1.58 0.00 0.00 42.46 37.02 1r9p s ILE 52 CO 0.00 0.22 1.29 -0.63 -1.23 0.00 0.00 174.94 174.59 1r9p s ILE 53 N 0.11 4.36 0.11 2.92 1.01 -1.04 -2.26 121.20 126.41 1r9p s ILE 53 Ca 0.52 -1.25 -0.28 0.00 0.00 0.00 0.00 60.65 59.65 1r9p s ILE 53 Cb -0.30 -4.92 -0.09 0.00 0.01 0.00 0.00 42.46 37.16 1r9p s ILE 53 CO 0.34 -1.72 1.63 -0.33 0.00 0.00 0.00 174.94 174.87 1r9p h GLU 54 N 9.19 -0.49 -3.66 2.79 5.08 -1.88 -0.43 114.58 125.19 1r9p h GLU 54 Ca 0.19 0.03 -0.13 0.00 -1.00 0.00 0.00 59.36 58.45 1r9p h GLU 54 Cb 1.01 0.11 -0.19 0.00 0.50 0.00 0.00 28.75 30.18 1r9p h GLU 54 CO 1.26 -0.32 -0.49 -0.51 -1.00 0.00 0.00 179.01 177.94 1r9p s ASP 55 N -4.79 0.10 0.01 1.42 1.01 -1.26 -4.45 116.67 108.71 1r9p s ASP 55 Ca -0.16 -0.38 0.03 0.00 0.71 0.00 0.00 52.55 52.75 1r9p s ASP 55 Cb 0.08 0.22 -0.01 0.00 1.01 0.00 0.00 42.92 44.22 1r9p s ASP 55 CO 0.65 -0.46 -0.09 0.00 0.21 0.00 0.00 175.17 175.48 1r9p s ALA 56 N -2.11 0.73 0.00 5.23 0.00 -1.26 -1.69 121.76 122.66 1r9p s ALA 56 Ca -0.09 -0.48 0.05 0.00 0.00 0.00 0.00 51.96 51.43 1r9p s ALA 56 Cb -0.04 -0.14 -0.03 0.00 0.00 0.00 0.00 23.12 22.91 1r9p s ALA 56 CO -0.02 0.14 -0.14 0.21 0.00 0.00 0.00 175.76 175.96 1r9p s LYS 57 N -0.55 2.34 0.35 0.00 2.20 -0.98 -5.00 119.74 118.10 1r9p s LYS 57 Ca 0.01 -0.82 0.09 0.00 -0.36 0.00 0.00 55.97 54.89 1r9p s LYS 57 Cb -0.05 -2.34 -0.06 0.00 -1.51 0.00 0.00 37.83 33.87 1r9p s LYS 57 CO 0.00 0.58 -0.08 -0.59 -0.36 0.00 0.00 175.35 174.90 1r9p s PHE 58 N -0.89 2.42 -0.39 4.03 -0.12 -1.26 -2.02 117.98 119.75 1r9p s PHE 58 Ca 0.14 -0.50 -0.03 0.00 -0.05 0.00 0.00 56.93 56.49 1r9p s PHE 58 Cb -0.11 -1.41 0.20 0.00 -0.63 0.00 0.00 43.02 41.08 1r9p s PHE 58 CO 0.04 0.57 0.99 0.21 -0.05 0.00 0.00 175.22 176.98 1r9p s LYS 59 N -3.62 0.44 0.15 1.99 2.20 -0.93 -4.97 119.74 115.00 1r9p s LYS 59 Ca 0.33 -0.40 0.09 0.00 -0.36 0.00 0.00 55.97 55.63 1r9p s LYS 59 Cb 0.03 -0.01 -0.04 0.00 -1.51 0.00 0.00 37.83 36.29 1r9p s LYS 59 CO 0.17 -0.55 -0.21 -0.08 -0.36 0.00 0.00 175.35 174.31 1r9p s THR 60 N 1.09 1.95 -0.34 3.43 -1.32 -1.26 -1.70 115.64 117.48 1r9p s THR 60 Ca 0.24 -1.81 0.05 0.00 -1.21 0.00 0.00 61.69 58.95 1r9p s THR 60 Cb 0.08 -1.83 0.17 0.00 -1.51 0.00 0.00 72.50 69.41 1r9p s THR 60 CO -0.10 -0.15 0.51 -0.47 -2.21 0.00 0.00 174.62 172.20 1r9p s TYR 61 N -1.60 -1.29 0.00 9.09 5.04 -1.22 -4.71 117.35 122.67 1r9p s TYR 61 Ca 0.14 0.28 0.00 0.00 -2.44 0.00 0.00 57.07 55.05 1r9p s TYR 61 Cb -0.08 0.04 0.00 0.00 0.35 0.00 0.00 41.96 42.27 1r9p s TYR 61 CO 0.06 -1.06 0.00 0.41 -1.34 0.00 0.00 175.55 173.62 1r9p n GLY 62 N 4.92 -0.03 3.69 8.97 0.00 -1.25 -4.25 105.19 117.23 1r9p n GLY 62 Ca 0.06 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.66 1r9p n GLY 62 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1r9p h GLY 64 N 8.25 0.00 0.00 0.00 0.00 -1.99 2.40 103.07 111.73 1r9p h GLY 64 Ca -0.35 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.98 1r9p h GLY 64 CO 0.89 0.00 0.00 -1.14 0.00 0.00 0.00 176.54 176.29 1r9p n SER 65 N -2.84 1.77 -0.32 0.19 3.41 -1.26 -4.74 113.62 109.82 1r9p n SER 65 Ca 0.06 -1.78 0.21 0.00 -0.26 0.00 0.00 58.87 57.09 1r9p n SER 65 Cb 0.99 0.00 0.40 0.00 -0.26 0.00 0.00 64.21 65.35 1r9p n SER 65 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1r9p h ALA 66 N 0.00 1.60 0.00 7.33 0.00 0.38 2.31 119.26 130.87 1r9p h ALA 66 Ca 0.00 0.27 -0.01 0.00 0.00 0.00 0.00 54.91 55.17 1r9p h ALA 66 Cb 0.40 0.38 -0.00 0.00 0.00 0.00 0.00 17.79 18.57 1r9p h ALA 66 CO 0.00 -0.66 -0.04 0.82 0.00 0.00 0.00 179.25 179.38 1r9p h ILE 67 N 0.10 1.02 0.00 0.00 2.04 -1.84 -1.46 117.51 117.37 1r9p h ILE 67 Ca 0.68 -0.12 0.00 0.00 1.00 0.00 0.00 64.86 66.42 1r9p h ILE 67 Cb 1.56 1.07 0.00 0.00 -0.74 0.00 0.00 36.82 38.70 1r9p h ILE 67 CO -0.76 0.04 0.00 0.00 0.00 0.00 0.00 178.15 177.42 1r9p n ALA 68 N -2.53 0.00 -0.53 1.87 0.00 0.77 -2.42 120.51 117.66 1r9p n ALA 68 Ca -0.03 -0.01 0.43 0.00 0.00 0.00 0.00 53.44 53.83 1r9p n ALA 68 Cb 0.12 0.00 0.69 0.00 0.00 0.00 0.00 19.45 20.26 1r9p n ALA 68 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1r9p n SER 69 N -1.73 0.13 0.17 0.00 3.41 -0.66 -0.38 113.62 114.56 1r9p n SER 69 Ca 0.00 1.18 -0.07 0.00 -0.26 0.00 0.00 58.87 59.72 1r9p n SER 69 Cb 0.00 -0.58 -0.03 0.00 -0.26 0.00 0.00 64.21 63.33 1r9p n SER 69 CO 0.00 0.00 0.00 0.77 -0.16 0.00 0.00 175.04 175.65 1r9p h SER 70 N 0.00 -0.40 -0.65 4.04 4.64 -1.36 -1.41 113.55 118.40 1r9p h SER 70 Ca 0.86 0.01 0.19 0.00 -0.47 0.00 0.00 61.79 62.38 1r9p h SER 70 Cb 3.02 0.10 -0.03 0.00 -0.31 0.00 0.00 62.40 65.19 1r9p h SER 70 CO -0.29 -0.14 0.71 0.28 -0.87 0.00 0.00 176.83 176.52 1r9p h SER 71 N -0.76 0.00 0.00 4.97 0.02 -0.36 0.15 113.55 117.58 1r9p h SER 71 Ca -0.05 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.90 1r9p h SER 71 Cb 0.36 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.90 1r9p h SER 71 CO 0.08 0.00 0.00 -0.11 -1.14 0.00 0.00 176.83 175.66 1r9p n LEU 72 N -3.58 2.57 -0.47 5.07 7.94 -0.31 -1.87 117.00 126.34 1r9p n LEU 72 Ca 0.13 0.02 0.39 0.00 -1.11 0.00 0.00 56.01 55.45 1r9p n LEU 72 Cb 0.94 0.00 0.67 0.00 0.53 0.00 0.00 43.42 45.57 1r9p n LEU 72 CO 0.27 0.00 1.25 -0.29 -1.11 0.00 0.00 177.39 177.51 1r9p h ILE 73 N 0.00 0.06 -0.38 1.96 2.10 -1.13 1.56 117.51 121.68 1r9p h ILE 73 Ca 0.00 -0.01 -0.15 0.00 1.08 0.00 0.00 64.86 65.77 1r9p h ILE 73 Cb 0.00 0.02 -0.01 0.00 -1.09 0.00 0.00 36.82 35.74 1r9p h ILE 73 CO 0.00 0.01 -0.37 0.71 -1.08 0.00 0.00 178.15 177.42 1r9p h THR 74 N 0.04 1.27 0.00 2.19 1.35 -0.83 -2.11 112.91 114.83 1r9p h THR 74 Ca 0.86 -1.54 0.00 0.00 -0.55 0.00 0.00 66.41 65.18 1r9p h THR 74 Cb 2.76 1.36 0.00 0.00 -1.73 0.00 0.00 68.15 70.54 1r9p h THR 74 CO -0.42 0.51 0.00 1.21 -0.25 0.00 0.00 175.52 176.57 1r9p n GLU 75 N -4.06 0.12 -0.05 4.72 2.13 0.52 -2.56 120.64 121.46 1r9p n GLU 75 Ca -0.02 0.11 -0.11 0.00 0.66 0.00 0.00 57.16 57.80 1r9p n GLU 75 Cb 0.53 -1.50 -0.14 0.00 0.27 0.00 0.00 31.44 30.60 1r9p n GLU 75 CO 0.00 0.00 0.00 0.91 -0.41 0.00 0.00 177.13 177.63 1r9p n TRP 76 N -1.42 0.65 -0.15 4.31 7.02 -0.43 -4.07 117.44 123.36 1r9p n TRP 76 Ca 0.07 0.21 0.09 0.00 -1.02 0.00 0.00 57.50 56.85 1r9p n TRP 76 Cb 0.22 -1.11 0.29 0.00 -2.42 0.00 0.00 31.31 28.29 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 -3.02 1.28 -2.91 -0.99 0.24 -0.84 -4.52 118.33 107.56 1r9p n VAL 77 Ca -0.26 -0.93 -0.44 0.00 -2.04 0.00 0.00 64.34 60.68 1r9p n VAL 77 Cb 1.08 0.18 -0.03 0.00 -1.47 0.00 0.00 33.84 33.60 1r9p n VAL 77 CO 0.00 0.00 0.00 -0.54 -2.14 0.00 0.00 176.83 174.15 1r9p s LYS 78 N -1.58 3.44 0.00 7.34 1.02 -1.06 -3.79 119.74 125.11 1r9p s LYS 78 Ca 0.42 -1.49 0.00 0.00 0.02 0.00 0.00 55.97 54.92 1r9p s LYS 78 Cb 0.25 -4.71 0.00 0.00 -0.52 0.00 0.00 37.83 32.85 1r9p s LYS 78 CO 0.23 -1.78 0.00 0.41 -0.92 0.00 0.00 175.35 173.29 1r9p n GLY 79 N 5.47 2.48 0.00 -3.33 0.00 -0.17 -5.03 105.19 104.60 1r9p n GLY 79 Ca 0.15 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.17 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 -0.85 0.52 -4.50 1.61 4.76 -1.25 -4.50 118.16 113.96 1r9p n LYS 80 Ca 0.00 0.00 -0.24 0.00 -2.87 0.00 0.00 58.31 55.20 1r9p n LYS 80 Cb 0.00 0.00 -0.11 0.00 -1.84 0.00 0.00 35.03 33.08 1r9p n LYS 80 CO 0.00 0.00 0.00 -1.12 -1.37 0.00 0.00 177.40 174.91 1r9p s SER 81 N -1.67 3.03 0.51 4.39 0.01 -1.26 -2.51 113.70 116.19 1r9p s SER 81 Ca 0.00 -1.30 0.15 0.00 1.31 0.00 0.00 55.95 56.12 1r9p s SER 81 Cb 0.00 -0.22 1.22 0.00 0.21 0.00 0.00 66.02 67.23 1r9p s SER 81 CO 0.00 -0.44 2.13 -0.07 0.41 0.00 0.00 173.24 175.27 1r9p h LEU 82 N 2.07 0.02 -0.95 2.44 3.38 -1.89 -0.98 115.31 119.41 1r9p h LEU 82 Ca -0.41 -0.00 -0.09 0.00 0.09 0.00 0.00 57.88 57.46 1r9p h LEU 82 Cb 1.24 -0.01 -0.01 0.00 0.09 0.00 0.00 40.66 41.97 1r9p h LEU 82 CO 0.72 0.03 -0.20 -0.08 0.09 0.00 0.00 178.44 179.01 1r9p h GLU 83 N 0.03 0.54 0.12 1.13 4.81 -1.92 0.13 114.58 119.42 1r9p h GLU 83 Ca 0.01 -0.19 -0.16 0.00 -0.13 0.00 0.00 59.36 58.88 1r9p h GLU 83 Cb 0.03 -0.04 0.02 0.00 0.63 0.00 0.00 28.75 29.39 1r9p h GLU 83 CO 0.00 0.71 -0.72 0.93 -0.73 0.00 0.00 179.01 179.20 1r9p h GLU 84 N 0.48 0.26 -0.65 1.92 5.08 -1.64 -3.30 114.58 116.73 1r9p h GLU 84 Ca 0.08 -0.45 -0.07 0.00 -1.00 0.00 0.00 59.36 57.92 1r9p h GLU 84 Cb 0.61 0.17 -0.03 0.00 0.50 0.00 0.00 28.75 30.01 1r9p h GLU 84 CO 0.04 1.21 0.12 0.00 -1.00 0.00 0.00 179.01 179.39 1r9p h ALA 85 N 0.07 0.86 -0.11 3.43 0.00 -1.20 -1.91 119.26 120.40 1r9p h ALA 85 Ca -0.13 -0.26 -0.07 0.00 0.00 0.00 0.00 54.91 54.46 1r9p h ALA 85 Cb 1.57 -0.25 -0.03 0.00 0.00 0.00 0.00 17.79 19.08 1r9p h ALA 85 CO 0.13 0.61 0.08 0.41 0.00 0.00 0.00 179.25 180.49 1r9p n GLY 86 N -0.60 2.60 0.00 0.00 0.00 0.46 -3.58 105.19 104.08 1r9p n GLY 86 Ca 0.04 -0.19 0.00 0.00 0.00 0.00 0.00 46.02 45.87 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 0.84 1.20 -0.97 4.61 0.00 -0.93 -4.95 120.51 120.30 1r9p n ALA 87 Ca 0.07 0.00 -0.37 0.00 0.00 0.00 0.00 53.44 53.14 1r9p n ALA 87 Cb 0.57 0.00 0.05 0.00 0.00 0.00 0.00 19.45 20.06 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 -1.40 0.00 -4.15 0.00 -5.35 -0.77 -5.00 119.36 102.70 1r9p n ILE 88 Ca 0.00 -0.30 -0.09 0.00 -0.27 0.00 0.00 62.75 62.08 1r9p n ILE 88 Cb 0.00 -0.07 -0.03 0.00 -1.74 0.00 0.00 39.64 37.80 1r9p n ILE 88 CO 0.00 0.00 0.00 0.29 -1.76 0.00 0.00 176.55 175.08 1r9p n LYS 89 N 1.99 0.39 0.00 6.28 5.02 -1.26 -5.03 118.16 125.54 1r9p n LYS 89 Ca -0.01 -1.43 0.10 0.00 -2.02 0.00 0.00 58.31 54.95 1r9p n LYS 89 Cb 0.63 1.03 -0.02 0.00 -0.02 0.00 0.00 35.03 36.65 1r9p n LYS 89 CO 0.00 0.00 0.00 0.27 -0.52 0.00 0.00 177.40 177.15 1r9p n ASN 90 N -2.23 1.77 0.14 4.39 6.94 -1.26 -4.37 115.26 120.63 1r9p n ASN 90 Ca 0.01 -1.39 -0.14 0.00 -0.02 0.00 0.00 54.58 53.05 1r9p n ASN 90 Cb 0.26 0.56 -0.08 0.00 -2.36 0.00 0.00 39.78 38.15 1r9p n ASN 90 CO 0.00 0.00 0.00 0.28 -1.03 0.00 0.00 177.26 176.51 1r9p h SER 91 N 1.92 -0.28 0.75 0.53 0.02 -1.96 -0.61 113.55 113.92 1r9p h SER 91 Ca 0.00 -0.14 -0.04 0.00 -0.84 0.00 0.00 61.79 60.77 1r9p h SER 91 Cb 0.66 0.07 0.01 0.00 0.14 0.00 0.00 62.40 63.28 1r9p h SER 91 CO 0.00 -0.02 -0.36 1.56 -1.14 0.00 0.00 176.83 176.87 1r9p h GLN 92 N -0.54 -0.96 -0.74 3.45 4.20 -1.99 -1.19 115.11 117.33 1r9p h GLN 92 Ca -0.03 0.07 0.22 0.00 0.06 0.00 0.00 58.65 58.96 1r9p h GLN 92 Cb 0.40 0.22 -0.03 0.00 0.30 0.00 0.00 27.48 28.37 1r9p h GLN 92 CO 0.06 -0.64 0.80 0.82 -0.67 0.00 0.00 178.83 179.20 1r9p h ILE 93 N -1.03 0.21 0.00 2.54 2.04 -1.76 2.01 117.51 121.52 1r9p h ILE 93 Ca -0.10 0.00 -0.14 0.00 1.00 0.00 0.00 64.86 65.62 1r9p h ILE 93 Cb 0.77 0.36 -0.02 0.00 -0.74 0.00 0.00 36.82 37.19 1r9p h ILE 93 CO 0.17 0.00 -0.67 0.00 0.00 0.00 0.00 178.15 177.65 1r9p h ALA 94 N 1.09 0.62 0.00 1.87 0.00 -0.10 -2.22 119.26 120.52 1r9p h ALA 94 Ca 0.35 -0.61 0.00 0.00 0.00 0.00 0.00 54.91 54.65 1r9p h ALA 94 Cb 1.95 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 19.64 1r9p h ALA 94 CO -0.00 0.84 -0.65 0.93 0.00 0.00 0.00 179.25 180.37 1r9p h GLU 95 N 0.00 0.00 0.10 0.00 5.08 0.43 -2.45 114.58 117.74 1r9p h GLU 95 Ca -0.01 0.00 -0.31 0.00 -1.00 0.00 0.00 59.36 58.05 1r9p h GLU 95 Cb 1.44 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.67 1r9p h GLU 95 CO 0.09 0.00 -1.63 0.93 -1.00 0.00 0.00 179.01 177.39 1r9p h GLU 96 N 0.00 0.21 0.00 2.33 5.08 -0.97 -3.35 114.58 117.88 1r9p h GLU 96 Ca 0.00 -0.35 0.00 0.00 -1.00 0.00 0.00 59.36 58.01 1r9p h GLU 96 Cb 0.81 0.13 0.00 0.00 0.50 0.00 0.00 28.75 30.20 1r9p h GLU 96 CO 0.00 1.17 -0.33 1.28 -1.00 0.00 0.00 179.01 180.13 1r9p n LEU 97 N -3.84 0.67 -3.38 1.33 4.32 -0.84 -4.98 117.00 110.27 1r9p n LEU 97 Ca -0.29 0.36 -0.20 0.00 -0.02 0.00 0.00 56.01 55.86 1r9p n LEU 97 Cb 0.92 -0.27 0.01 0.00 -1.62 0.00 0.00 43.42 42.47 1r9p n LEU 97 CO 0.37 -0.08 -0.07 -0.62 -1.22 0.00 0.00 177.39 175.77 1r9p n GLU 98 N -2.07 -1.76 -4.18 3.23 1.02 -0.92 -4.97 120.64 111.00 1r9p n GLU 98 Ca 0.05 1.35 -0.29 0.00 -0.02 0.00 0.00 57.16 58.25 1r9p n GLU 98 Cb 0.42 -3.61 -0.09 0.00 -0.02 0.00 0.00 31.44 28.14 1r9p n GLU 98 CO 0.00 0.00 0.00 -0.48 1.18 0.00 0.00 177.13 177.83 1r9p s LEU 99 N -3.65 3.27 0.82 -4.62 0.05 -1.24 -5.08 118.68 108.22 1r9p s LEU 99 Ca 0.15 -0.30 -0.10 0.00 0.05 0.00 0.00 54.13 53.93 1r9p s LEU 99 Cb -0.02 -2.02 0.08 0.00 -2.05 0.00 0.00 46.19 42.19 1r9p s LEU 99 CO 0.84 0.16 1.11 -2.16 -0.55 0.00 0.00 176.35 175.75 1r9p s PRO 100 N -2.37 1.87 0.00 1.48 0.04 -1.26 -5.01 135.00 129.75 1r9p s PRO 100 Ca 0.24 1.28 -0.12 0.00 0.04 0.00 0.00 61.00 62.44 1r9p s PRO 100 Cb -0.11 -1.84 -0.06 0.00 0.04 0.00 0.00 34.50 32.52 1r9p s PRO 100 CO 0.17 -1.95 0.84 -1.00 0.04 0.00 0.00 177.00 175.10 1r9p h PRO 101 N -1.36 -0.41 0.00 0.56 0.13 -2.01 -3.40 132.00 125.51 1r9p h PRO 101 Ca -0.43 0.03 0.00 0.00 -0.87 0.00 0.00 66.00 64.72 1r9p h PRO 101 Cb 1.24 0.09 0.00 0.00 0.13 0.00 0.00 31.00 32.46 1r9p h PRO 101 CO 0.48 -0.27 0.00 1.33 -0.23 0.00 0.00 178.00 179.31 1r9p n VAL 102 N -3.56 0.00 -1.02 1.56 0.24 -1.26 0.23 118.33 114.52 1r9p n VAL 102 Ca -0.05 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.25 1r9p n VAL 102 Cb 0.17 0.00 0.00 0.00 -1.47 0.00 0.00 33.84 32.54 1r9p n VAL 102 CO 0.00 0.00 0.00 0.29 -2.14 0.00 0.00 176.83 174.98 1r9p n LYS 103 N 0.00 0.22 -3.89 7.34 5.02 -1.26 -5.01 118.16 120.57 1r9p n LYS 103 Ca 0.00 -0.63 -0.27 0.00 -2.02 0.00 0.00 58.31 55.39 1r9p n LYS 103 Cb 0.00 -0.54 -0.05 0.00 -0.02 0.00 0.00 35.03 34.42 1r9p n LYS 103 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 1r9p n VAL 104 N -0.05 -1.10 -0.04 -0.18 0.31 0.61 -4.78 118.33 113.10 1r9p n VAL 104 Ca 0.00 -0.39 -0.00 0.00 -0.01 0.00 0.00 64.34 63.94 1r9p n VAL 104 Cb 0.50 -1.02 -0.15 0.00 -0.91 0.00 0.00 33.84 32.27 1r9p n VAL 104 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1r9p n HIS 105 N -3.77 0.16 0.00 3.52 -0.00 -1.26 -3.86 115.22 110.01 1r9p n HIS 105 Ca -0.19 0.05 0.00 0.00 -0.00 0.00 0.00 57.72 57.58 1r9p n HIS 105 Cb 0.49 -0.83 0.00 0.00 -0.00 0.00 0.00 29.99 29.65 1r9p n HIS 105 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 1r9p h SER 107 N 0.00 -1.34 -1.35 0.00 0.87 -1.93 0.17 113.55 109.98 1r9p h SER 107 Ca 0.00 0.16 0.42 0.00 -1.23 0.00 0.00 61.79 61.14 1r9p h SER 107 Cb 0.00 0.52 -0.11 0.00 -0.44 0.00 0.00 62.40 62.36 1r9p h SER 107 CO 0.00 -0.48 0.89 0.40 -0.53 0.00 0.00 176.83 177.11 1r9p h ILE 108 N -0.61 0.17 -0.34 2.23 2.04 -1.67 0.95 117.51 120.28 1r9p h ILE 108 Ca 0.04 -0.04 -0.07 0.00 1.00 0.00 0.00 64.86 65.80 1r9p h ILE 108 Cb 0.67 0.06 -0.01 0.00 -0.74 0.00 0.00 36.82 36.80 1r9p h ILE 108 CO -0.31 0.02 -0.04 0.25 0.00 0.00 0.00 178.15 178.06 1r9p h LEU 109 N 0.10 0.63 0.05 1.44 5.85 0.53 0.13 115.31 124.04 1r9p h LEU 109 Ca 0.79 -0.34 0.01 0.00 0.84 0.00 0.00 57.88 59.18 1r9p h LEU 109 Cb 2.56 -0.17 -0.02 0.00 0.37 0.00 0.00 40.66 43.40 1r9p h LEU 109 CO -0.33 0.82 -0.11 0.00 -0.34 0.00 0.00 178.44 178.48 1r9p h ALA 110 N 0.83 -0.16 0.16 1.25 0.00 0.14 0.72 119.26 122.19 1r9p h ALA 110 Ca 0.09 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.98 1r9p h ALA 110 Cb 0.52 0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.49 1r9p h ALA 110 CO 0.03 -0.62 -0.08 1.49 0.00 0.00 0.00 179.25 180.07 1r9p h GLU 111 N -0.21 -0.20 -1.83 0.00 4.81 -1.36 -2.70 114.58 113.09 1r9p h GLU 111 Ca 0.02 0.01 0.53 0.00 -0.13 0.00 0.00 59.36 59.80 1r9p h GLU 111 Cb 0.23 0.05 -0.07 0.00 0.63 0.00 0.00 28.75 29.58 1r9p h GLU 111 CO -0.07 -0.14 1.38 0.22 -0.73 0.00 0.00 179.01 179.67 1r9p h ASP 112 N -0.29 0.00 0.63 1.04 1.82 -0.78 0.26 116.42 119.10 1r9p h ASP 112 Ca -0.02 0.00 -0.03 0.00 -0.39 0.00 0.00 57.03 56.59 1r9p h ASP 112 Cb 0.16 0.00 0.01 0.00 0.68 0.00 0.00 39.33 40.18 1r9p h ASP 112 CO 0.04 0.00 -0.30 0.00 -1.61 0.00 0.00 179.24 177.36 1r9p h ALA 113 N 0.97 -0.84 -1.24 -0.78 0.00 -0.61 -1.13 119.26 115.64 1r9p h ALA 113 Ca 0.87 -0.19 0.36 0.00 0.00 0.00 0.00 54.91 55.95 1r9p h ALA 113 Cb 3.61 0.33 -0.09 0.00 0.00 0.00 0.00 17.79 21.64 1r9p h ALA 113 CO -0.01 -0.80 0.84 0.97 0.00 0.00 0.00 179.25 180.25 1r9p h ILE 114 N -1.20 0.34 -0.02 0.00 6.09 -0.17 0.96 117.51 123.52 1r9p h ILE 114 Ca -0.09 -0.06 -0.21 0.00 -1.37 0.00 0.00 64.86 63.14 1r9p h ILE 114 Cb 0.66 0.17 -0.00 0.00 0.47 0.00 0.00 36.82 38.12 1r9p h ILE 114 CO 0.14 0.03 -0.86 0.50 -3.07 0.00 0.00 178.15 174.89 1r9p h LYS 115 N 0.16 0.35 -0.12 2.19 3.11 -1.26 -2.63 116.57 118.37 1r9p h LYS 115 Ca 0.67 -0.35 -0.05 0.00 -2.81 0.00 0.00 60.65 58.11 1r9p h LYS 115 Cb 2.21 0.09 -0.00 0.00 -1.00 0.00 0.00 32.23 33.53 1r9p h LYS 115 CO -0.21 1.03 -0.12 0.00 -2.81 0.00 0.00 179.45 177.33 1r9p h ALA 116 N 0.86 0.18 0.61 5.00 0.00 0.22 0.04 119.26 126.16 1r9p h ALA 116 Ca -0.06 -0.31 -0.03 0.00 0.00 0.00 0.00 54.91 54.52 1r9p h ALA 116 Cb 1.48 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 19.23 1r9p h ALA 116 CO 0.14 0.04 -0.34 0.00 0.00 0.00 0.00 179.25 179.10 1r9p h ALA 117 N 0.59 -0.89 -0.62 0.00 0.00 -1.13 -1.33 119.26 115.89 1r9p h ALA 117 Ca 0.02 -0.18 0.05 0.00 0.00 0.00 0.00 54.91 54.79 1r9p h ALA 117 Cb 0.65 0.40 -0.05 0.00 0.00 0.00 0.00 17.79 18.79 1r9p h ALA 117 CO 0.03 -1.01 0.35 0.82 0.00 0.00 0.00 179.25 179.44 1r9p h ILE 118 N -0.88 1.00 0.06 0.00 2.04 -1.53 -1.65 117.51 116.55 1r9p h ILE 118 Ca -0.08 -0.23 0.02 0.00 1.00 0.00 0.00 64.86 65.58 1r9p h ILE 118 Cb 0.70 0.27 -0.05 0.00 -0.74 0.00 0.00 36.82 37.00 1r9p h ILE 118 CO 0.10 0.12 -0.42 0.00 0.00 0.00 0.00 178.15 177.95 1r9p h ALA 119 N 1.31 -0.72 -0.05 1.87 0.00 -0.69 -0.37 119.26 120.61 1r9p h ALA 119 Ca 0.27 -0.06 0.04 0.00 0.00 0.00 0.00 54.91 55.15 1r9p h ALA 119 Cb 0.12 0.73 -0.05 0.00 0.00 0.00 0.00 17.79 18.59 1r9p h ALA 119 CO -0.15 -0.98 -0.24 -0.44 0.00 0.00 0.00 179.25 177.45 1r9p h ASP 120 N -0.62 -0.71 0.00 0.00 5.19 -0.92 -2.06 116.42 117.30 1r9p h ASP 120 Ca 0.03 0.10 0.00 0.00 -0.62 0.00 0.00 57.03 56.55 1r9p h ASP 120 Cb 0.67 0.30 0.00 0.00 0.18 0.00 0.00 39.33 40.48 1r9p h ASP 120 CO -0.28 -0.30 0.00 0.00 -3.12 0.00 0.00 179.24 175.54 1r9p n TYR 121 N -5.36 0.00 -0.28 4.55 9.36 -0.65 -0.75 117.16 124.04 1r9p n TYR 121 Ca -0.04 0.00 0.16 0.00 3.32 0.00 0.00 57.90 61.34 1r9p n TYR 121 Cb 0.27 -0.47 0.30 0.00 -0.63 0.00 0.00 39.34 38.82 1r9p n TYR 121 CO 0.00 0.00 0.00 1.63 0.22 0.00 0.00 176.86 178.71 1r9p n LYS 122 N -2.52 -0.06 -0.19 2.98 4.76 -0.20 0.24 118.16 123.17 1r9p n LYS 122 Ca 0.00 1.19 -0.07 0.00 -2.87 0.00 0.00 58.31 56.56 1r9p n LYS 122 Cb 0.00 -1.95 0.03 0.00 -1.84 0.00 0.00 35.03 31.26 1r9p n LYS 122 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1r9p h ALA 123 N 1.62 0.71 -0.98 7.82 0.00 -0.20 0.13 119.26 128.36 1r9p h ALA 123 Ca 0.55 -0.07 0.02 0.00 0.00 0.00 0.00 54.91 55.41 1r9p h ALA 123 Cb 1.23 -0.23 -0.05 0.00 0.00 0.00 0.00 17.79 18.74 1r9p h ALA 123 CO -0.73 0.19 0.64 0.87 0.00 0.00 0.00 179.25 180.23 1r9p h LYS 124 N 0.75 1.25 -2.35 0.00 1.57 0.49 -3.31 116.57 114.98 1r9p h LYS 124 Ca 0.20 -0.08 -0.59 0.00 -1.87 0.00 0.00 60.65 58.32 1r9p h LYS 124 Cb -0.02 -0.28 -0.40 0.00 0.08 0.00 0.00 32.23 31.60 1r9p h LYS 124 CO -0.04 0.83 -0.84 0.94 -0.57 0.00 0.00 179.45 179.77 1r9p n GLN 125 N -4.43 1.25 0.00 3.15 0.00 -0.62 -4.94 117.38 111.79 1r9p n GLN 125 Ca 0.12 -3.82 0.00 0.00 -0.00 0.00 0.00 57.00 53.30 1r9p n GLN 125 Cb 0.04 -1.80 0.00 0.00 0.00 0.00 0.00 30.24 28.49 1r9p n GLN 125 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 1r9p n GLY 126 N 1.74 0.79 0.42 1.69 0.00 0.39 -4.72 105.19 105.50 1r9p n GLY 126 Ca 0.25 -0.07 0.00 0.00 0.00 0.00 0.00 46.02 46.20 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 0.00 0.00 0.99 4.32 -1.26 -5.09 117.00 115.96 1r9p n LEU 127 Ca 0.00 -0.85 0.06 0.00 -0.02 0.00 0.00 56.01 55.20 1r9p n LEU 127 Cb 0.00 0.00 -0.02 0.00 -1.62 0.00 0.00 43.42 41.78 1r9p n LEU 127 CO 0.00 0.25 -0.08 -0.62 -1.22 0.00 0.00 177.39 175.71 1r9p n GLU 128 N 0.00 -0.92 -0.75 3.23 1.02 -1.26 -4.72 120.64 117.23 1r9p n GLU 128 Ca 0.00 0.61 -0.30 0.00 -0.02 0.00 0.00 57.16 57.45 1r9p n GLU 128 Cb 0.66 -1.12 0.19 0.00 -0.02 0.00 0.00 31.44 31.14 1r9p n GLU 128 CO 0.00 0.00 0.00 -3.38 1.18 0.00 0.00 177.13 174.93 1r9p s HIS 129 N -0.73 1.69 -0.51 -0.32 -3.43 -1.26 -4.98 115.29 105.74 1r9p s HIS 129 Ca 0.00 1.51 0.07 0.00 -0.80 0.00 0.00 55.06 55.85 1r9p s HIS 129 Cb 0.00 -3.22 0.28 0.00 -1.43 0.00 0.00 32.58 28.21 1r9p s HIS 129 CO 0.00 -3.03 0.71 1.58 -2.00 0.00 0.00 174.74 172.00 1r9p n HIS 130 N -4.36 1.97 -4.16 0.38 -0.00 -1.26 -5.06 115.22 102.72 1r9p n HIS 130 Ca 0.08 -3.90 -0.17 0.00 0.46 0.00 0.00 57.72 54.20 1r9p n HIS 130 Cb 0.53 -0.46 -0.15 0.00 -0.12 0.00 0.00 29.99 29.79 1r9p n HIS 130 CO 0.00 0.00 0.00 -1.01 0.46 0.00 0.00 176.34 175.79 1r9p s HIS 131 N -2.26 0.52 -0.15 1.57 3.76 -1.26 -5.14 115.29 112.33 1r9p s HIS 131 Ca 0.40 -0.10 -0.11 0.00 -0.15 0.00 0.00 55.06 55.10 1r9p s HIS 131 Cb 0.21 -0.37 0.05 0.00 1.11 0.00 0.00 32.58 33.57 1r9p s HIS 131 CO -0.07 -0.04 0.38 -1.01 -0.85 0.00 0.00 174.74 173.15 1r9p s HIS 132 N 0.08 -0.49 -0.33 1.40 3.76 -1.26 -5.03 115.29 113.42 1r9p s HIS 132 Ca -0.00 1.11 -0.02 0.00 -0.15 0.00 0.00 55.06 56.00 1r9p s HIS 132 Cb -0.05 0.19 0.14 0.00 1.11 0.00 0.00 32.58 33.97 1r9p s HIS 132 CO -0.00 -0.26 2.28 0.72 -0.85 0.00 0.00 174.74 176.63 1r9p n HIS 133 N 3.52 1.42 -0.41 1.40 8.25 -1.26 -5.36 115.22 122.79 1r9p n HIS 133 Ca -0.18 -1.90 0.00 0.00 -0.26 0.00 0.00 57.72 55.38 1r9p n HIS 133 Cb 0.56 -1.08 0.00 0.00 1.12 0.00 0.00 29.99 30.60 1r9p n HIS 133 CO 0.00 0.00 0.00 1.58 0.64 0.00 0.00 176.34 178.56