#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1r9p h ALA 2 N 0.00 1.43 -2.50 3.04 0.00 -2.13 -3.34 119.26 115.76 1r9p h ALA 2 Ca 0.00 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.71 1r9p h ALA 2 Cb 0.00 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 17.67 1r9p h ALA 2 CO 0.00 0.40 0.00 0.66 0.00 0.00 0.00 179.25 180.31 1r9p n TYR 3 N -4.28 0.00 -4.02 0.00 4.01 -1.26 -4.85 117.16 106.76 1r9p n TYR 3 Ca 0.01 0.00 -0.31 0.00 -0.16 0.00 0.00 57.90 57.43 1r9p n TYR 3 Cb 0.25 -0.08 -0.07 0.00 -0.31 0.00 0.00 39.34 39.12 1r9p n TYR 3 CO 0.00 0.00 0.00 0.45 -0.46 0.00 0.00 176.86 176.85 1r9p n SER 4 N -0.76 -0.53 0.00 7.72 2.88 -1.26 -4.85 113.62 116.83 1r9p n SER 4 Ca 0.00 -1.05 0.00 0.00 -1.33 0.00 0.00 58.87 56.49 1r9p n SER 4 Cb 0.00 -1.32 0.00 0.00 -0.75 0.00 0.00 64.21 62.14 1r9p n SER 4 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 1r9p n GLU 5 N -3.68 0.00 -0.27 -1.46 -0.58 -1.26 -4.83 120.64 108.56 1r9p n GLU 5 Ca -0.06 0.00 0.08 0.00 -0.42 0.00 0.00 57.16 56.76 1r9p n GLU 5 Cb 0.46 0.00 0.16 0.00 -0.57 0.00 0.00 31.44 31.49 1r9p n GLU 5 CO 0.00 0.00 0.00 1.63 -0.48 0.00 0.00 177.13 178.28 1r9p n LYS 6 N 0.00 1.32 -3.29 3.49 4.76 -1.26 -5.02 118.16 118.16 1r9p n LYS 6 Ca 0.00 -2.75 -0.26 0.00 -2.87 0.00 0.00 58.31 52.43 1r9p n LYS 6 Cb 0.00 -1.48 0.03 0.00 -1.84 0.00 0.00 35.03 31.73 1r9p n LYS 6 CO 0.00 0.00 0.00 0.28 -1.37 0.00 0.00 177.40 176.31 1r9p n VAL 7 N -1.27 -6.61 -1.51 -0.18 0.31 -1.26 -4.74 118.33 103.07 1r9p n VAL 7 Ca 0.16 0.34 -0.46 0.00 -0.01 0.00 0.00 64.34 64.37 1r9p n VAL 7 Cb 0.66 -4.94 -0.02 0.00 -0.91 0.00 0.00 33.84 28.64 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 -0.45 1.98 -3.57 2.52 -5.35 -1.26 -4.96 119.36 108.27 1r9p n ILE 8 Ca -0.03 -0.50 -0.09 0.00 -0.27 0.00 0.00 62.75 61.87 1r9p n ILE 8 Cb 0.60 -0.56 -0.04 0.00 -1.74 0.00 0.00 39.64 37.90 1r9p n ILE 8 CO 0.00 0.00 0.00 -1.81 -1.76 0.00 0.00 176.55 172.98 1r9p s ASP 9 N -0.74 -0.31 0.00 7.28 1.01 -1.26 -5.13 116.67 117.52 1r9p s ASP 9 Ca 0.61 0.25 0.00 0.00 0.71 0.00 0.00 52.55 54.12 1r9p s ASP 9 Cb -0.80 0.27 0.00 0.00 1.01 0.00 0.00 42.92 43.40 1r9p s ASP 9 CO 0.58 -0.35 0.00 0.00 0.21 0.00 0.00 175.17 175.61 1r9p n HIS 10 N 0.43 0.00 -0.54 4.23 1.44 -1.26 -4.90 115.22 114.62 1r9p n HIS 10 Ca -0.08 0.00 -0.09 0.00 -2.01 0.00 0.00 57.72 55.54 1r9p n HIS 10 Cb 0.59 0.00 0.08 0.00 0.12 0.00 0.00 29.99 30.78 1r9p n HIS 10 CO 0.00 0.00 0.00 0.66 -2.81 0.00 0.00 176.34 174.19 1r9p n TYR 11 N 0.00 -3.12 -0.81 -1.40 4.01 -1.26 -5.00 117.16 109.58 1r9p n TYR 11 Ca 0.00 -0.29 0.00 0.00 -0.16 0.00 0.00 57.90 57.45 1r9p n TYR 11 Cb 0.00 -0.36 0.00 0.00 -0.31 0.00 0.00 39.34 38.67 1r9p n TYR 11 CO 0.00 0.00 0.00 -0.85 -0.46 0.00 0.00 176.86 175.55 1r9p n GLU 12 N -2.67 0.00 -2.81 -0.72 0.28 -1.26 -4.90 120.64 108.57 1r9p n GLU 12 Ca 0.05 0.00 -0.22 0.00 -0.16 0.00 0.00 57.16 56.83 1r9p n GLU 12 Cb 0.18 -0.29 -0.01 0.00 1.43 0.00 0.00 31.44 32.75 1r9p n GLU 12 CO 0.00 0.00 0.00 0.09 -0.16 0.00 0.00 177.13 177.06 1r9p n ASN 13 N 0.00 3.18 -4.65 -1.84 4.13 -1.26 -5.07 115.26 109.76 1r9p n ASN 13 Ca 0.00 -3.36 -0.43 0.00 1.68 0.00 0.00 54.58 52.47 1r9p n ASN 13 Cb 0.17 -0.54 -0.03 0.00 -1.54 0.00 0.00 39.78 37.85 1r9p n ASN 13 CO 0.00 0.00 0.00 -2.16 0.28 0.00 0.00 177.26 175.38 1r9p s PRO 14 N -3.20 4.03 0.00 3.52 0.04 -1.26 -4.83 135.00 133.29 1r9p s PRO 14 Ca 0.43 1.85 0.00 0.00 0.04 0.00 0.00 61.00 63.31 1r9p s PRO 14 Cb 0.36 -3.96 0.00 0.00 0.04 0.00 0.00 34.50 30.95 1r9p s PRO 14 CO -0.11 -1.01 0.00 0.54 0.04 0.00 0.00 177.00 176.47 1r9p n ARG 15 N 7.24 0.00 -0.13 4.56 1.74 -1.26 -4.81 116.66 124.00 1r9p n ARG 15 Ca 0.17 0.00 -0.03 0.00 -0.77 0.00 0.00 57.85 57.22 1r9p n ARG 15 Cb 0.44 -0.74 -0.01 0.00 -1.02 0.00 0.00 32.46 31.14 1r9p n ARG 15 CO 0.00 0.00 0.00 0.09 -1.52 0.00 0.00 177.63 176.20 1r9p n ASN 16 N -2.30 0.81 -4.09 0.55 4.13 -1.26 -4.71 115.26 108.38 1r9p n ASN 16 Ca 0.00 -1.93 -0.11 0.00 1.68 0.00 0.00 54.58 54.22 1r9p n ASN 16 Cb 0.34 -0.48 -0.11 0.00 -1.54 0.00 0.00 39.78 37.99 1r9p n ASN 16 CO 0.00 0.00 0.00 0.68 0.28 0.00 0.00 177.26 178.22 1r9p s VAL 17 N 4.16 0.48 0.00 2.41 -7.23 -1.26 -4.99 120.40 113.97 1r9p s VAL 17 Ca 0.07 -1.41 0.00 0.00 -1.81 0.00 0.00 61.98 58.83 1r9p s VAL 17 Cb 0.02 -1.01 0.00 0.00 0.56 0.00 0.00 36.38 35.95 1r9p s VAL 17 CO -0.00 -0.63 0.00 0.61 -0.31 0.00 0.00 175.10 174.76 1r9p n GLY 18 N 0.84 0.57 0.82 2.32 0.00 -1.26 -5.03 105.19 103.45 1r9p n GLY 18 Ca -0.19 -0.79 0.00 0.00 0.00 0.00 0.00 46.02 45.05 1r9p n GLY 18 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1r9p n SER 19 N 0.00 -1.68 -0.01 1.61 3.41 -1.26 -5.01 113.62 110.67 1r9p n SER 19 Ca 0.00 0.00 -0.00 0.00 -0.26 0.00 0.00 58.87 58.61 1r9p n SER 19 Cb 0.00 -0.84 -0.00 0.00 -0.26 0.00 0.00 64.21 63.11 1r9p n SER 19 CO 0.00 0.00 0.00 -0.07 -0.16 0.00 0.00 175.04 174.81 1r9p h LEU 20 N 0.00 -0.01 -8.54 1.04 4.07 -1.95 -3.49 115.31 106.42 1r9p h LEU 20 Ca 0.00 0.00 -0.25 0.00 0.08 0.00 0.00 57.88 57.71 1r9p h LEU 20 Cb 0.00 0.00 -0.11 0.00 1.08 0.00 0.00 40.66 41.63 1r9p h LEU 20 CO 0.00 0.19 -0.36 -0.62 -1.08 0.00 0.00 178.44 176.57 1r9p s ASP 21 N -3.99 0.57 0.00 -0.43 -1.08 -1.26 -5.02 116.67 105.45 1r9p s ASP 21 Ca -0.00 -1.37 0.19 0.00 -0.52 0.00 0.00 52.55 50.85 1r9p s ASP 21 Cb 0.00 0.54 0.72 0.00 -1.46 0.00 0.00 42.92 42.72 1r9p s ASP 21 CO 0.01 -1.08 1.52 0.29 0.52 0.00 0.00 175.17 176.42 1r9p n LYS 22 N -0.44 1.68 -0.73 4.34 5.02 -1.26 -3.77 118.16 122.99 1r9p n LYS 22 Ca 0.02 -1.02 0.01 0.00 -2.02 0.00 0.00 58.31 55.30 1r9p n LYS 22 Cb 0.63 -1.37 0.20 0.00 -0.02 0.00 0.00 35.03 34.47 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 0.26 1.76 -4.61 1.97 4.76 -1.26 -5.00 118.16 116.03 1r9p n LYS 23 Ca 0.15 -3.32 -0.33 0.00 -2.87 0.00 0.00 58.31 51.93 1r9p n LYS 23 Cb 0.30 -1.71 -0.13 0.00 -1.84 0.00 0.00 35.03 31.66 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 -3.07 4.45 0.00 4.39 1.11 -1.25 -4.97 116.67 117.34 1r9p s ASP 24 Ca 0.41 -0.18 0.14 0.00 0.18 0.00 0.00 52.55 53.10 1r9p s ASP 24 Cb 0.38 -1.53 0.81 0.00 1.07 0.00 0.00 42.92 43.66 1r9p s ASP 24 CO -0.05 0.22 1.27 -1.54 1.18 0.00 0.00 175.17 176.26 1r9p n SER 25 N 3.16 0.00 -0.50 0.27 3.41 -1.26 -2.16 113.62 116.54 1r9p n SER 25 Ca -0.18 -0.80 0.06 0.00 -0.26 0.00 0.00 58.87 57.69 1r9p n SER 25 Cb 0.53 0.00 0.16 0.00 -0.26 0.00 0.00 64.21 64.63 1r9p n SER 25 CO 0.00 0.00 0.00 -0.46 -0.16 0.00 0.00 175.04 174.42 1r9p n ASN 26 N -0.85 2.96 -3.97 4.04 0.23 -1.26 -4.91 115.26 111.50 1r9p n ASN 26 Ca 0.10 -2.52 -0.31 0.00 -0.53 0.00 0.00 54.58 51.33 1r9p n ASN 26 Cb 0.05 -0.32 -0.15 0.00 -2.08 0.00 0.00 39.78 37.27 1r9p n ASN 26 CO 0.00 0.00 0.00 -0.69 -0.93 0.00 0.00 177.26 175.64 1r9p s VAL 27 N -1.92 1.75 0.07 3.53 1.01 -0.92 -2.08 120.40 121.85 1r9p s VAL 27 Ca 0.26 -1.44 0.06 0.00 0.00 0.00 0.00 61.98 60.86 1r9p s VAL 27 Cb 0.20 -2.00 -0.04 0.00 0.00 0.00 0.00 36.38 34.54 1r9p s VAL 27 CO 0.08 -0.15 -0.07 -0.83 0.00 0.00 0.00 175.10 174.13 1r9p s GLY 28 N 1.28 1.81 0.01 4.51 0.00 -1.18 -4.67 107.32 109.08 1r9p s GLY 28 Ca -0.05 -1.15 0.00 0.00 0.00 0.00 0.00 44.72 43.53 1r9p s GLY 28 CO -0.07 -1.10 -0.03 -1.59 0.00 0.00 0.00 173.10 170.32 1r9p s THR 29 N -1.17 0.15 -0.04 0.90 2.01 -1.26 -2.28 115.64 113.95 1r9p s THR 29 Ca 0.21 -0.58 -0.02 0.00 0.31 0.00 0.00 61.69 61.61 1r9p s THR 29 Cb -0.11 -0.23 0.03 0.00 0.01 0.00 0.00 72.50 72.20 1r9p s THR 29 CO 0.13 -0.27 0.07 -0.83 -0.69 0.00 0.00 174.62 173.03 1r9p s GLY 30 N -0.90 0.19 -0.05 4.40 0.00 -0.08 -3.86 107.32 107.03 1r9p s GLY 30 Ca -0.09 0.23 0.06 0.00 0.00 0.00 0.00 44.72 44.93 1r9p s GLY 30 CO -0.00 1.41 -0.23 1.06 0.00 0.00 0.00 173.10 175.34 1r9p s MET 31 N 2.16 2.42 0.10 2.90 -1.94 -1.26 -1.06 119.30 122.62 1r9p s MET 31 Ca 0.05 -0.86 -0.03 0.00 -1.71 0.00 0.00 55.69 53.14 1r9p s MET 31 Cb -0.12 -2.19 -0.03 0.00 2.01 0.00 0.00 34.83 34.50 1r9p s MET 31 CO -0.03 0.49 0.07 0.14 -0.01 0.00 0.00 175.02 175.68 1r9p s VAL 32 N -0.42 0.14 -0.03 -6.03 -7.23 -0.98 -5.03 120.40 100.82 1r9p s VAL 32 Ca 0.04 -1.74 -0.05 0.00 -1.81 0.00 0.00 61.98 58.42 1r9p s VAL 32 Cb -0.12 -1.78 0.01 0.00 0.56 0.00 0.00 36.38 35.05 1r9p s VAL 32 CO 0.01 -0.63 0.13 -0.83 -0.31 0.00 0.00 175.10 173.47 1r9p s GLY 33 N -2.98 -0.03 -0.06 2.32 0.00 -1.26 -1.90 107.32 103.41 1r9p s GLY 33 Ca 0.16 0.16 0.03 0.00 0.00 0.00 0.00 44.72 45.07 1r9p s GLY 33 CO -0.03 0.08 -0.14 0.00 0.00 0.00 0.00 173.10 173.00 1r9p s ALA 34 N -0.49 1.39 -0.05 3.20 0.00 -0.77 -5.00 121.76 120.04 1r9p s ALA 34 Ca -0.06 -0.53 -0.17 0.00 0.00 0.00 0.00 51.96 51.20 1r9p s ALA 34 Cb -0.04 -0.56 -0.11 0.00 0.00 0.00 0.00 23.12 22.41 1r9p s ALA 34 CO 0.01 0.18 0.68 -1.00 0.00 0.00 0.00 175.76 175.62 1r9p h PRO 35 N 6.71 -0.30 -1.43 0.00 0.13 -1.95 0.23 132.00 135.40 1r9p h PRO 35 Ca -0.30 0.02 0.43 0.00 -0.87 0.00 0.00 66.00 65.28 1r9p h PRO 35 Cb 1.19 0.07 -0.07 0.00 0.13 0.00 0.00 31.00 32.31 1r9p h PRO 35 CO 0.48 0.00 1.01 0.00 -0.23 0.00 0.00 178.00 179.26 1r9p n ALA 36 N -2.66 1.38 0.06 -0.56 0.00 -1.26 0.30 120.51 117.78 1r9p n ALA 36 Ca -0.07 0.55 0.01 0.00 0.00 0.00 0.00 53.44 53.94 1r9p n ALA 36 Cb 0.22 -0.88 0.01 0.00 0.00 0.00 0.00 19.45 18.81 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 0.05 -0.50 3.20 0.00 0.00 0.88 -4.77 105.19 104.05 1r9p n GLY 38 Ca 0.01 0.25 -0.12 0.00 0.00 0.00 0.00 46.02 46.17 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 -3.92 0.98 -0.08 1.61 -1.08 -0.79 -4.92 116.67 108.47 1r9p s ASP 39 Ca 0.27 -1.13 0.02 0.00 -0.52 0.00 0.00 52.55 51.19 1r9p s ASP 39 Cb -0.15 0.15 0.01 0.00 -1.46 0.00 0.00 42.92 41.47 1r9p s ASP 39 CO 0.95 -0.58 -0.14 -0.69 0.52 0.00 0.00 175.17 175.23 1r9p s VAL 40 N -3.74 1.29 -0.22 1.11 1.01 -1.26 -1.84 120.40 116.75 1r9p s VAL 40 Ca 0.20 -0.56 -0.04 0.00 0.00 0.00 0.00 61.98 61.59 1r9p s VAL 40 Cb 0.06 -1.17 -0.01 0.00 0.00 0.00 0.00 36.38 35.26 1r9p s VAL 40 CO 0.01 0.39 -0.05 -0.32 0.00 0.00 0.00 175.10 175.13 1r9p s MET 41 N 0.70 3.35 -0.23 2.72 1.75 -0.80 -4.14 119.30 122.65 1r9p s MET 41 Ca -0.13 -0.64 -0.05 0.00 -1.25 0.00 0.00 55.69 53.61 1r9p s MET 41 Cb -0.16 -2.99 -0.02 0.00 2.84 0.00 0.00 34.83 34.51 1r9p s MET 41 CO 0.03 -0.20 0.01 -1.14 -0.65 0.00 0.00 175.02 173.07 1r9p s GLN 42 N 1.47 3.49 -0.10 4.11 0.74 -1.02 -2.32 119.66 126.03 1r9p s GLN 42 Ca 0.06 -0.57 0.04 0.00 0.05 0.00 0.00 55.36 54.94 1r9p s GLN 42 Cb -0.14 -3.15 -0.00 0.00 1.10 0.00 0.00 33.01 30.82 1r9p s GLN 42 CO -0.04 -0.20 -0.24 -1.17 -0.55 0.00 0.00 175.29 173.09 1r9p s LEU 43 N 1.54 2.08 0.08 3.68 0.20 -0.23 -2.28 118.68 123.75 1r9p s LEU 43 Ca 0.06 -0.55 0.08 0.00 0.69 0.00 0.00 54.13 54.40 1r9p s LEU 43 Cb -0.15 -1.40 -0.03 0.00 -0.43 0.00 0.00 46.19 44.18 1r9p s LEU 43 CO -0.00 0.17 -0.20 -1.10 -0.29 0.00 0.00 176.35 174.92 1r9p s GLN 44 N 0.31 1.20 0.07 1.98 -0.21 -0.85 -0.90 119.66 121.26 1r9p s GLN 44 Ca -0.18 -1.07 0.09 0.00 0.02 0.00 0.00 55.36 54.22 1r9p s GLN 44 Cb -0.18 -1.40 -0.03 0.00 1.00 0.00 0.00 33.01 32.40 1r9p s GLN 44 CO 0.09 0.34 -0.24 0.96 -2.12 0.00 0.00 175.29 174.32 1r9p s ILE 45 N -1.02 1.92 -0.42 1.08 -4.36 -0.96 -2.51 121.20 114.92 1r9p s ILE 45 Ca 0.06 -1.42 -0.06 0.00 -0.26 0.00 0.00 60.65 58.98 1r9p s ILE 45 Cb -0.09 -1.68 0.10 0.00 1.25 0.00 0.00 42.46 42.04 1r9p s ILE 45 CO 0.03 0.19 0.23 -0.75 0.24 0.00 0.00 174.94 174.88 1r9p s LYS 46 N -1.48 2.27 -0.01 0.37 2.20 -0.80 -3.09 119.74 119.20 1r9p s LYS 46 Ca 0.10 -1.69 -0.29 0.00 -0.36 0.00 0.00 55.97 53.72 1r9p s LYS 46 Cb -0.10 -3.68 -0.03 0.00 -1.51 0.00 0.00 37.83 32.52 1r9p s LYS 46 CO 0.03 -1.04 0.96 0.08 -0.36 0.00 0.00 175.35 175.02 1r9p s VAL 47 N 1.26 4.88 0.02 4.02 1.01 -0.88 -1.62 120.40 129.09 1r9p s VAL 47 Ca 0.05 2.01 -0.29 0.00 0.00 0.00 0.00 61.98 63.76 1r9p s VAL 47 Cb -0.23 -4.30 -0.16 0.00 0.00 0.00 0.00 36.38 31.69 1r9p s VAL 47 CO -0.02 0.16 1.19 -0.78 0.00 0.00 0.00 175.10 175.65 1r9p h ASP 48 N 6.82 -0.88 0.00 3.32 1.82 -1.68 -3.45 116.42 122.37 1r9p h ASP 48 Ca -0.40 0.03 0.00 0.00 -0.39 0.00 0.00 57.03 56.27 1r9p h ASP 48 Cb 1.21 0.23 0.00 0.00 0.68 0.00 0.00 39.33 41.45 1r9p h ASP 48 CO 0.76 -0.51 0.00 0.47 -1.61 0.00 0.00 179.24 178.35 1r9p n ASP 49 N -5.43 0.00 0.02 2.28 9.92 -1.26 -4.95 116.55 117.12 1r9p n ASP 49 Ca -0.13 0.00 0.11 0.00 -0.53 0.00 0.00 54.79 54.24 1r9p n ASP 49 Cb 0.41 0.00 0.05 0.00 -0.64 0.00 0.00 41.12 40.94 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 0.00 0.65 0.00 -2.24 3.02 -1.26 -4.92 115.26 110.51 1r9p n ASN 50 Ca 0.00 -0.34 0.00 0.00 -0.03 0.00 0.00 54.58 54.21 1r9p n ASN 50 Cb 0.00 0.70 0.00 0.00 -0.61 0.00 0.00 39.78 39.87 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 1.42 1.79 3.51 7.41 0.00 -1.26 -5.12 105.19 112.94 1r9p n GLY 51 Ca 0.03 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.71 1r9p n GLY 51 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1r9p s ILE 52 N -2.00 3.77 -0.99 -0.61 -1.09 -1.26 -3.54 121.20 115.47 1r9p s ILE 52 Ca 0.00 -0.42 -0.24 0.00 -2.23 0.00 0.00 60.65 57.77 1r9p s ILE 52 Cb 0.00 -2.62 -0.04 0.00 -1.58 0.00 0.00 42.46 38.23 1r9p s ILE 52 CO 0.00 0.53 1.86 -0.63 -1.23 0.00 0.00 174.94 175.47 1r9p s ILE 53 N 0.04 3.57 0.25 2.92 1.01 -0.90 -1.87 121.20 126.22 1r9p s ILE 53 Ca -0.01 -0.60 -0.02 0.00 0.00 0.00 0.00 60.65 60.01 1r9p s ILE 53 Cb -0.14 -4.33 0.23 0.00 0.01 0.00 0.00 42.46 38.24 1r9p s ILE 53 CO 0.03 -1.15 1.78 -0.08 0.00 0.00 0.00 174.94 175.51 1r9p h GLU 54 N 10.60 0.65 0.00 2.79 4.22 -1.61 0.13 114.58 131.36 1r9p h GLU 54 Ca 0.15 -0.04 -0.17 0.00 0.08 0.00 0.00 59.36 59.38 1r9p h GLU 54 Cb 0.99 -0.15 -0.03 0.00 0.50 0.00 0.00 28.75 30.06 1r9p h GLU 54 CO 1.26 0.43 0.01 -0.25 -2.18 0.00 0.00 179.01 178.28 1r9p n ASP 55 N -4.83 -1.54 -3.37 1.04 8.00 -1.21 -4.00 116.55 110.64 1r9p n ASP 55 Ca 0.15 -2.61 -0.02 0.00 0.71 0.00 0.00 54.79 53.02 1r9p n ASP 55 Cb 0.37 2.72 -0.05 0.00 -0.02 0.00 0.00 41.12 44.15 1r9p n ASP 55 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1r9p s ALA 56 N -2.40 -1.72 -0.19 2.24 0.00 -1.26 -1.90 121.76 116.53 1r9p s ALA 56 Ca 0.22 1.62 -0.16 0.00 0.00 0.00 0.00 51.96 53.64 1r9p s ALA 56 Cb -0.02 -1.83 -0.04 0.00 0.00 0.00 0.00 23.12 21.23 1r9p s ALA 56 CO 0.16 -1.15 0.41 0.15 0.00 0.00 0.00 175.76 175.32 1r9p s LYS 57 N 2.74 4.20 0.41 0.00 -0.14 -1.05 -4.98 119.74 120.93 1r9p s LYS 57 Ca 0.10 0.24 0.07 0.00 -1.36 0.00 0.00 55.97 55.02 1r9p s LYS 57 Cb -0.14 -3.52 -0.06 0.00 -1.68 0.00 0.00 37.83 32.44 1r9p s LYS 57 CO -0.18 -0.00 0.16 -0.59 -0.76 0.00 0.00 175.35 173.98 1r9p s PHE 58 N 1.18 2.59 -0.31 3.18 -0.71 -1.26 -2.01 117.98 120.64 1r9p s PHE 58 Ca 0.20 -0.60 -0.05 0.00 -1.04 0.00 0.00 56.93 55.44 1r9p s PHE 58 Cb -0.15 -1.94 0.19 0.00 -1.21 0.00 0.00 43.02 39.91 1r9p s PHE 58 CO 0.08 0.22 0.91 0.21 -1.34 0.00 0.00 175.22 175.29 1r9p s LYS 59 N -3.88 0.30 -0.02 1.99 2.20 -0.97 -5.00 119.74 114.37 1r9p s LYS 59 Ca 0.40 0.17 0.01 0.00 -0.36 0.00 0.00 55.97 56.19 1r9p s LYS 59 Cb 0.05 0.10 0.01 0.00 -1.51 0.00 0.00 37.83 36.49 1r9p s LYS 59 CO 0.22 -0.52 -0.02 -0.08 -0.36 0.00 0.00 175.35 174.59 1r9p s THR 60 N 2.68 0.24 -0.09 3.43 -1.32 -1.26 -2.43 115.64 116.89 1r9p s THR 60 Ca 0.21 -0.02 -0.16 0.00 -1.21 0.00 0.00 61.69 60.51 1r9p s THR 60 Cb -0.03 -0.27 0.04 0.00 -1.51 0.00 0.00 72.50 70.72 1r9p s THR 60 CO -0.21 0.12 0.39 -0.47 -2.21 0.00 0.00 174.62 172.24 1r9p s TYR 61 N 0.57 -0.36 0.00 9.09 6.14 -1.26 -4.92 117.35 126.61 1r9p s TYR 61 Ca -0.06 0.77 0.00 0.00 0.64 0.00 0.00 57.07 58.43 1r9p s TYR 61 Cb -0.09 0.15 0.00 0.00 0.42 0.00 0.00 41.96 42.44 1r9p s TYR 61 CO -0.01 -0.31 0.00 0.41 0.64 0.00 0.00 175.55 176.28 1r9p n GLY 62 N 2.11 2.88 3.49 8.97 0.00 -1.26 -4.37 105.19 117.01 1r9p n GLY 62 Ca -0.17 -1.04 -0.43 0.00 0.00 0.00 0.00 46.02 44.39 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 5.92 1.87 0.00 0.00 0.00 -1.26 -2.14 105.19 109.58 1r9p n GLY 64 Ca 0.22 -0.44 0.00 0.00 0.00 0.00 0.00 46.02 45.80 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 3.17 0.00 0.00 1.61 7.64 -1.26 -4.86 113.62 119.92 1r9p n SER 65 Ca 0.17 0.00 0.11 0.00 1.01 0.00 0.00 58.87 60.16 1r9p n SER 65 Cb 0.27 0.00 -0.03 0.00 -1.01 0.00 0.00 64.21 63.44 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 -0.12 4.21 -0.40 -0.43 0.00 -0.91 -4.30 120.51 118.56 1r9p n ALA 66 Ca 0.00 -0.52 0.38 0.00 0.00 0.00 0.00 53.44 53.30 1r9p n ALA 66 Cb 0.00 -0.86 0.60 0.00 0.00 0.00 0.00 19.45 19.18 1r9p n ALA 66 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.50 178.32 1r9p h ILE 67 N 0.00 0.02 0.01 0.00 1.08 -1.90 1.46 117.51 118.18 1r9p h ILE 67 Ca 0.00 0.00 -0.36 0.00 -0.39 0.00 0.00 64.86 64.11 1r9p h ILE 67 Cb 0.56 0.02 -0.06 0.00 -3.07 0.00 0.00 36.82 34.27 1r9p h ILE 67 CO 0.00 0.00 -2.24 0.00 -0.69 0.00 0.00 178.15 175.22 1r9p n ALA 68 N -2.52 1.45 0.14 1.87 0.00 -1.26 -4.37 120.51 115.83 1r9p n ALA 68 Ca 0.31 -1.14 -0.13 0.00 0.00 0.00 0.00 53.44 52.48 1r9p n ALA 68 Cb 1.70 -0.33 -0.08 0.00 0.00 0.00 0.00 19.45 20.74 1r9p n ALA 68 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 1r9p h SER 69 N 0.00 -0.32 -0.87 0.00 0.87 0.17 -2.50 113.55 110.91 1r9p h SER 69 Ca -0.49 -0.18 0.16 0.00 -1.23 0.00 0.00 61.79 60.04 1r9p h SER 69 Cb 2.13 0.08 -0.15 0.00 -0.44 0.00 0.00 62.40 64.02 1r9p h SER 69 CO 0.02 0.03 -0.26 -1.54 -0.53 0.00 0.00 176.83 174.55 1r9p n SER 70 N -5.12 -0.41 0.15 6.23 3.41 0.06 0.46 113.62 118.40 1r9p n SER 70 Ca -0.09 1.50 -0.14 0.00 -0.26 0.00 0.00 58.87 59.87 1r9p n SER 70 Cb 0.25 -0.41 -0.08 0.00 -0.26 0.00 0.00 64.21 63.71 1r9p n SER 70 CO 0.00 0.00 0.00 -1.28 -0.16 0.00 0.00 175.04 173.60 1r9p h SER 71 N 0.00 -0.28 0.00 4.04 0.87 -1.74 -1.13 113.55 115.31 1r9p h SER 71 Ca 0.37 -0.07 0.00 0.00 -1.23 0.00 0.00 61.79 60.86 1r9p h SER 71 Cb 0.59 0.07 0.00 0.00 -0.44 0.00 0.00 62.40 62.62 1r9p h SER 71 CO -0.88 -0.11 0.00 -0.11 -0.53 0.00 0.00 176.83 175.20 1r9p n LEU 72 N -5.19 0.00 -0.14 2.23 7.94 0.17 -1.34 117.00 120.67 1r9p n LEU 72 Ca -0.09 0.67 -0.08 0.00 -1.11 0.00 0.00 56.01 55.40 1r9p n LEU 72 Cb 0.19 -0.17 -0.06 0.00 0.53 0.00 0.00 43.42 43.91 1r9p n LEU 72 CO 0.34 -0.17 0.49 -0.29 -1.11 0.00 0.00 177.39 176.66 1r9p h ILE 73 N 0.00 0.00 -1.45 1.96 2.10 -1.37 0.82 117.51 119.57 1r9p h ILE 73 Ca 0.00 0.00 0.43 0.00 1.08 0.00 0.00 64.86 66.37 1r9p h ILE 73 Cb 0.00 0.00 -0.07 0.00 -1.09 0.00 0.00 36.82 35.66 1r9p h ILE 73 CO 0.00 0.00 1.03 0.35 -1.08 0.00 0.00 178.15 178.45 1r9p n THR 74 N -4.29 -0.03 0.05 2.19 -2.24 -0.43 0.42 114.28 109.95 1r9p n THR 74 Ca -0.01 1.17 -0.12 0.00 -2.27 0.00 0.00 64.05 62.83 1r9p n THR 74 Cb 0.18 -1.95 -0.13 0.00 -2.10 0.00 0.00 70.33 66.33 1r9p n THR 74 CO 0.00 0.00 0.00 -0.33 -0.57 0.00 0.00 175.07 174.17 1r9p h GLU 75 N 0.00 0.12 -0.00 -0.78 5.08 0.19 -3.24 114.58 115.95 1r9p h GLU 75 Ca 0.71 -0.20 0.00 0.00 -1.00 0.00 0.00 59.36 58.88 1r9p h GLU 75 Cb 2.79 0.07 0.00 0.00 0.50 0.00 0.00 28.75 32.12 1r9p h GLU 75 CO -0.06 0.95 -0.03 0.91 -1.00 0.00 0.00 179.01 179.78 1r9p n TRP 76 N -3.34 0.00 -2.76 4.33 7.02 1.41 -3.89 117.44 120.22 1r9p n TRP 76 Ca -0.11 0.00 -0.20 0.00 -1.02 0.00 0.00 57.50 56.18 1r9p n TRP 76 Cb 1.01 -0.12 -0.00 0.00 -2.42 0.00 0.00 31.31 29.78 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 -0.94 1.58 -3.45 -0.99 0.24 0.03 -4.81 118.33 109.99 1r9p n VAL 77 Ca 0.19 -4.39 -0.28 0.00 -2.04 0.00 0.00 64.34 57.81 1r9p n VAL 77 Cb 0.21 -0.49 -0.11 0.00 -1.47 0.00 0.00 33.84 31.98 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 -3.18 0.77 0.00 7.34 2.20 -1.25 -4.28 119.74 121.33 1r9p s LYS 78 Ca 0.40 -1.74 0.00 0.00 -0.36 0.00 0.00 55.97 54.27 1r9p s LYS 78 Cb 0.39 -1.43 0.00 0.00 -1.51 0.00 0.00 37.83 35.28 1r9p s LYS 78 CO -0.09 -1.29 0.00 0.41 -0.36 0.00 0.00 175.35 174.02 1r9p n GLY 79 N 3.46 0.95 0.54 5.54 0.00 0.47 -4.95 105.19 111.20 1r9p n GLY 79 Ca 0.20 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 46.19 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 -1.79 0.42 -4.02 1.61 4.76 -1.25 -4.79 118.16 113.10 1r9p n LYS 80 Ca 0.00 -0.37 -0.26 0.00 -2.87 0.00 0.00 58.31 54.81 1r9p n LYS 80 Cb 0.00 -0.11 -0.04 0.00 -1.84 0.00 0.00 35.03 33.04 1r9p n LYS 80 CO 0.00 0.00 0.00 0.45 -1.37 0.00 0.00 177.40 176.48 1r9p s SER 81 N -1.59 5.89 0.49 4.39 0.15 -1.26 -2.12 113.70 119.66 1r9p s SER 81 Ca 0.09 0.01 0.25 0.00 0.70 0.00 0.00 55.95 57.01 1r9p s SER 81 Cb -0.00 -1.66 1.24 0.00 -1.71 0.00 0.00 66.02 63.89 1r9p s SER 81 CO 0.06 0.06 1.98 -0.07 1.20 0.00 0.00 173.24 176.48 1r9p h LEU 82 N 2.32 0.00 -2.14 3.45 3.38 -1.95 -2.18 115.31 118.19 1r9p h LEU 82 Ca -0.48 0.00 0.01 0.00 0.09 0.00 0.00 57.88 57.50 1r9p h LEU 82 Cb 1.20 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.94 1r9p h LEU 82 CO 0.66 0.17 0.04 -0.08 0.09 0.00 0.00 178.44 179.32 1r9p h GLU 83 N 0.00 0.00 0.00 1.13 4.81 -1.92 0.80 114.58 119.40 1r9p h GLU 83 Ca -0.00 0.00 -0.17 0.00 -0.13 0.00 0.00 59.36 59.06 1r9p h GLU 83 Cb 0.48 0.00 -0.03 0.00 0.63 0.00 0.00 28.75 29.83 1r9p h GLU 83 CO 0.02 0.00 -1.13 -1.91 -0.73 0.00 0.00 179.01 175.26 1r9p n GLU 84 N -4.29 0.53 0.12 1.92 4.07 -0.84 -4.01 120.64 118.13 1r9p n GLU 84 Ca -0.02 0.52 0.19 0.00 -0.06 0.00 0.00 57.16 57.79 1r9p n GLU 84 Cb 0.14 -1.69 0.76 0.00 -0.06 0.00 0.00 31.44 30.59 1r9p n GLU 84 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 1r9p h ALA 85 N -0.73 2.04 -0.99 4.31 0.00 -1.40 0.15 119.26 122.65 1r9p h ALA 85 Ca -0.26 -0.01 -0.68 0.00 0.00 0.00 0.00 54.91 53.96 1r9p h ALA 85 Cb 1.07 0.03 -0.29 0.00 0.00 0.00 0.00 17.79 18.59 1r9p h ALA 85 CO -0.16 -0.56 0.83 0.41 0.00 0.00 0.00 179.25 179.78 1r9p n GLY 86 N -1.47 5.87 0.00 0.00 0.00 0.27 -4.30 105.19 105.55 1r9p n GLY 86 Ca 0.06 -2.34 0.00 0.00 0.00 0.00 0.00 46.02 43.74 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 -0.88 0.81 -1.00 4.61 0.00 0.48 -4.94 120.51 119.58 1r9p n ALA 87 Ca 0.62 0.00 -0.36 0.00 0.00 0.00 0.00 53.44 53.70 1r9p n ALA 87 Cb 0.63 0.00 0.04 0.00 0.00 0.00 0.00 19.45 20.13 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 -1.29 0.02 -4.29 0.00 -5.35 -0.90 -4.98 119.36 102.56 1r9p n ILE 88 Ca 0.00 -0.47 -0.16 0.00 -0.27 0.00 0.00 62.75 61.85 1r9p n ILE 88 Cb 0.00 -0.06 -0.10 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 -2.07 1.19 0.45 6.28 1.02 -1.26 -5.02 119.74 120.32 1r9p s LYS 89 Ca 0.43 -1.55 0.23 0.00 0.02 0.00 0.00 55.97 55.09 1r9p s LYS 89 Cb -0.20 -0.65 1.01 0.00 -0.52 0.00 0.00 37.83 37.47 1r9p s LYS 89 CO 0.80 0.01 1.88 -2.95 -0.92 0.00 0.00 175.35 174.18 1r9p h ASN 90 N 2.64 0.00 0.17 2.83 -1.07 -1.92 -3.19 115.58 115.04 1r9p h ASN 90 Ca -0.37 0.00 -0.01 0.00 0.07 0.00 0.00 56.30 55.99 1r9p h ASN 90 Cb 1.21 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 37.46 1r9p h ASN 90 CO 0.64 0.24 -0.08 0.77 0.07 0.00 0.00 177.43 179.07 1r9p h SER 91 N 0.00 -0.19 -0.90 6.14 4.64 -1.96 -0.56 113.55 120.71 1r9p h SER 91 Ca -0.00 0.01 0.08 0.00 -0.47 0.00 0.00 61.79 61.41 1r9p h SER 91 Cb 0.65 0.05 -0.11 0.00 -0.31 0.00 0.00 62.40 62.68 1r9p h SER 91 CO 0.03 -0.10 -0.53 0.00 -0.87 0.00 0.00 176.83 175.36 1r9p n GLN 92 N -2.83 -0.40 0.11 4.77 1.13 -1.24 0.25 117.38 119.18 1r9p n GLN 92 Ca -0.03 1.43 0.17 0.00 -1.94 0.00 0.00 57.00 56.63 1r9p n GLN 92 Cb 0.09 -2.10 0.72 0.00 0.11 0.00 0.00 30.24 29.06 1r9p n GLN 92 CO 0.00 0.00 0.00 0.82 -1.44 0.00 0.00 177.06 176.44 1r9p h ILE 93 N 0.00 0.70 0.00 5.09 2.04 -1.62 0.58 117.51 124.30 1r9p h ILE 93 Ca 0.14 0.00 0.00 0.00 1.00 0.00 0.00 64.86 66.00 1r9p h ILE 93 Cb 0.37 0.81 0.00 0.00 -0.74 0.00 0.00 36.82 37.26 1r9p h ILE 93 CO -0.85 0.00 0.00 0.00 0.00 0.00 0.00 178.15 177.30 1r9p h ALA 94 N 1.78 1.00 0.00 1.87 0.00 0.51 -2.61 119.26 121.81 1r9p h ALA 94 Ca 0.16 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.07 1r9p h ALA 94 Cb 0.69 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.48 1r9p h ALA 94 CO -0.00 0.00 -1.36 -1.91 0.00 0.00 0.00 179.25 175.98 1r9p n GLU 95 N -2.33 0.54 0.02 0.00 2.13 0.19 -3.65 120.64 117.54 1r9p n GLU 95 Ca 0.05 -0.02 -0.20 0.00 0.66 0.00 0.00 57.16 57.64 1r9p n GLU 95 Cb 0.39 -1.66 -0.14 0.00 0.27 0.00 0.00 31.44 30.30 1r9p n GLU 95 CO 0.00 0.00 0.00 0.93 -0.41 0.00 0.00 177.13 177.65 1r9p h GLU 96 N 0.00 0.26 -0.00 5.31 5.08 -1.20 -3.31 114.58 120.71 1r9p h GLU 96 Ca 0.00 -0.44 0.00 0.00 -1.00 0.00 0.00 59.36 57.92 1r9p h GLU 96 Cb 0.93 0.16 0.00 0.00 0.50 0.00 0.00 28.75 30.34 1r9p h GLU 96 CO 0.00 1.14 -0.00 -0.11 -1.00 0.00 0.00 179.01 179.04 1r9p n LEU 97 N -3.45 0.12 -1.56 1.33 7.94 -1.00 -4.84 117.00 115.55 1r9p n LEU 97 Ca -0.27 -0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.63 1r9p n LEU 97 Cb 1.05 -0.04 0.00 0.00 0.53 0.00 0.00 43.42 44.97 1r9p n LEU 97 CO 0.46 0.02 0.00 1.21 -1.11 0.00 0.00 177.39 177.97 1r9p n GLU 98 N -0.95 -1.82 -1.90 1.96 2.13 -1.24 -4.78 120.64 114.05 1r9p n GLU 98 Ca 0.22 0.00 -0.37 0.00 0.66 0.00 0.00 57.16 57.68 1r9p n GLU 98 Cb 0.15 -3.65 0.05 0.00 0.27 0.00 0.00 31.44 28.26 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 -3.04 3.67 0.64 4.31 2.34 -1.26 -4.96 118.68 120.37 1r9p s LEU 99 Ca 0.00 2.52 -0.17 0.00 0.06 0.00 0.00 54.13 56.55 1r9p s LEU 99 Cb 0.00 -4.55 -0.01 0.00 -0.56 0.00 0.00 46.19 41.07 1r9p s LEU 99 CO 0.00 -1.71 1.16 -2.16 -1.06 0.00 0.00 176.35 172.57 1r9p s PRO 100 N -3.26 2.79 0.00 1.48 0.04 -1.26 -4.88 135.00 129.91 1r9p s PRO 100 Ca 0.78 1.61 0.00 0.00 0.04 0.00 0.00 61.00 63.43 1r9p s PRO 100 Cb -0.34 -1.93 0.00 0.00 0.04 0.00 0.00 34.50 32.27 1r9p s PRO 100 CO 0.37 -1.30 0.37 -0.35 0.04 0.00 0.00 177.00 176.13 1r9p n PRO 101 N -2.10 0.45 -2.50 0.56 -0.04 -1.26 -4.63 135.00 125.48 1r9p n PRO 101 Ca 0.12 0.00 -0.40 0.00 -0.04 0.00 0.00 63.50 63.18 1r9p n PRO 101 Cb 0.51 -1.09 -0.03 0.00 -0.04 0.00 0.00 33.50 32.85 1r9p n PRO 101 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 1r9p s VAL 102 N -1.61 3.75 -0.68 0.52 0.11 -1.26 -3.88 120.40 117.35 1r9p s VAL 102 Ca 0.00 0.03 -0.03 0.00 -2.93 0.00 0.00 61.98 59.05 1r9p s VAL 102 Cb 0.00 -4.87 -0.04 0.00 -1.53 0.00 0.00 36.38 29.94 1r9p s VAL 102 CO 0.00 -1.79 0.59 0.29 -3.33 0.00 0.00 175.10 170.86 1r9p n LYS 103 N 9.21 -1.85 0.00 1.54 5.02 -1.26 -4.80 118.16 126.02 1r9p n LYS 103 Ca 0.14 0.55 0.00 0.00 -2.02 0.00 0.00 58.31 56.98 1r9p n LYS 103 Cb 0.50 -4.31 0.00 0.00 -0.02 0.00 0.00 35.03 31.19 1r9p n LYS 103 CO 0.00 0.00 0.00 1.55 -0.52 0.00 0.00 177.40 178.43 1r9p n VAL 104 N -2.66 0.00 0.05 -0.18 3.14 -1.25 -2.86 118.33 114.57 1r9p n VAL 104 Ca -0.07 0.00 -0.11 0.00 -2.96 0.00 0.00 64.34 61.20 1r9p n VAL 104 Cb 0.58 -0.97 -0.04 0.00 -1.06 0.00 0.00 33.84 32.35 1r9p n VAL 104 CO 0.00 0.00 0.00 1.12 -6.46 0.00 0.00 176.83 171.49 1r9p h HIS 105 N 0.00 -0.67 -0.55 1.45 2.07 -1.94 -2.62 115.15 112.88 1r9p h HIS 105 Ca 0.00 0.02 0.06 0.00 -2.85 0.00 0.00 60.37 57.60 1r9p h HIS 105 Cb 0.00 0.30 -0.07 0.00 2.57 0.00 0.00 27.41 30.21 1r9p h HIS 105 CO 0.00 -0.34 -0.30 0.00 -3.07 0.00 0.00 177.93 174.22 1r9p h SER 107 N 0.00 -0.78 -0.70 0.00 0.02 -1.75 -2.51 113.55 107.84 1r9p h SER 107 Ca 0.11 0.04 0.13 0.00 -0.84 0.00 0.00 61.79 61.23 1r9p h SER 107 Cb 0.25 0.22 -0.13 0.00 0.14 0.00 0.00 62.40 62.88 1r9p h SER 107 CO -0.52 -0.50 -0.24 0.40 -1.14 0.00 0.00 176.83 174.83 1r9p h ILE 108 N -0.80 0.23 -0.85 3.27 2.04 0.54 0.51 117.51 122.45 1r9p h ILE 108 Ca -0.07 0.00 0.18 0.00 1.00 0.00 0.00 64.86 65.98 1r9p h ILE 108 Cb 0.65 0.23 -0.11 0.00 -0.74 0.00 0.00 36.82 36.84 1r9p h ILE 108 CO 0.08 0.00 0.37 0.25 0.00 0.00 0.00 178.15 178.85 1r9p h LEU 109 N -0.05 0.34 0.48 1.44 5.85 -0.23 0.17 115.31 123.30 1r9p h LEU 109 Ca 0.31 0.13 -0.02 0.00 0.84 0.00 0.00 57.88 59.15 1r9p h LEU 109 Cb 0.54 0.10 -0.01 0.00 0.37 0.00 0.00 40.66 41.67 1r9p h LEU 109 CO -0.74 0.07 -0.33 0.00 -0.34 0.00 0.00 178.44 177.09 1r9p h ALA 110 N 1.64 -1.11 -1.01 1.25 0.00 0.44 0.14 119.26 120.61 1r9p h ALA 110 Ca 0.50 -0.16 0.16 0.00 0.00 0.00 0.00 54.91 55.41 1r9p h ALA 110 Cb 0.86 0.48 -0.10 0.00 0.00 0.00 0.00 17.79 19.04 1r9p h ALA 110 CO -0.47 -1.10 0.62 1.49 0.00 0.00 0.00 179.25 179.80 1r9p h GLU 111 N -0.77 0.85 0.00 0.00 4.22 -0.97 0.58 114.58 118.49 1r9p h GLU 111 Ca -0.06 -0.05 -0.03 0.00 0.08 0.00 0.00 59.36 59.30 1r9p h GLU 111 Cb 0.63 -0.19 -0.00 0.00 0.50 0.00 0.00 28.75 29.69 1r9p h GLU 111 CO 0.04 0.56 -0.12 -0.44 -2.18 0.00 0.00 179.01 176.87 1r9p h ASP 112 N 0.88 0.00 0.29 1.04 5.19 -0.20 -2.62 116.42 120.99 1r9p h ASP 112 Ca 0.54 0.00 -0.01 0.00 -0.62 0.00 0.00 57.03 56.94 1r9p h ASP 112 Cb 0.71 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.22 1r9p h ASP 112 CO -0.33 0.12 -0.14 0.00 -3.12 0.00 0.00 179.24 175.77 1r9p h ALA 113 N 1.88 -0.50 -1.15 3.45 0.00 0.30 -0.46 119.26 122.79 1r9p h ALA 113 Ca -0.00 -0.08 0.35 0.00 0.00 0.00 0.00 54.91 55.17 1r9p h ALA 113 Cb 0.31 0.15 -0.12 0.00 0.00 0.00 0.00 17.79 18.13 1r9p h ALA 113 CO 0.02 -0.47 0.72 0.97 0.00 0.00 0.00 179.25 180.49 1r9p h ILE 114 N -0.81 0.31 -0.10 0.00 6.09 -1.40 1.04 117.51 122.64 1r9p h ILE 114 Ca -0.04 -0.09 -0.19 0.00 -1.37 0.00 0.00 64.86 63.18 1r9p h ILE 114 Cb 0.29 0.04 -0.00 0.00 0.47 0.00 0.00 36.82 37.62 1r9p h ILE 114 CO 0.06 0.05 -0.72 0.50 -3.07 0.00 0.00 178.15 174.97 1r9p h LYS 115 N 0.25 0.47 -0.10 2.19 3.64 -1.45 -2.54 116.57 119.02 1r9p h LYS 115 Ca 0.71 -0.38 -0.00 0.00 -1.27 0.00 0.00 60.65 59.72 1r9p h LYS 115 Cb 1.98 0.08 -0.01 0.00 -0.41 0.00 0.00 32.23 33.87 1r9p h LYS 115 CO -0.41 1.01 0.06 0.00 -2.27 0.00 0.00 179.45 177.84 1r9p h ALA 116 N 0.88 0.13 -0.58 5.00 0.00 0.29 -1.50 119.26 123.48 1r9p h ALA 116 Ca -0.03 -0.04 -0.07 0.00 0.00 0.00 0.00 54.91 54.78 1r9p h ALA 116 Cb 1.30 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 19.03 1r9p h ALA 116 CO 0.13 -0.34 0.10 0.00 0.00 0.00 0.00 179.25 179.14 1r9p h ALA 117 N 0.98 1.08 -0.75 0.00 0.00 -1.35 -2.41 119.26 116.82 1r9p h ALA 117 Ca 0.04 -0.24 -0.01 0.00 0.00 0.00 0.00 54.91 54.70 1r9p h ALA 117 Cb 0.05 -0.23 -0.04 0.00 0.00 0.00 0.00 17.79 17.57 1r9p h ALA 117 CO -0.01 0.60 0.42 0.82 0.00 0.00 0.00 179.25 181.08 1r9p h ILE 118 N 0.88 1.22 -0.46 0.00 2.04 -1.08 -0.01 117.51 120.11 1r9p h ILE 118 Ca 0.18 -0.52 -0.14 0.00 1.00 0.00 0.00 64.86 65.38 1r9p h ILE 118 Cb 0.38 0.19 -0.01 0.00 -0.74 0.00 0.00 36.82 36.64 1r9p h ILE 118 CO 0.01 0.24 -0.25 0.00 0.00 0.00 0.00 178.15 178.15 1r9p h ALA 119 N 1.43 0.69 0.26 1.87 0.00 -0.85 -2.17 119.26 120.49 1r9p h ALA 119 Ca 0.27 -0.40 -0.01 0.00 0.00 0.00 0.00 54.91 54.76 1r9p h ALA 119 Cb 0.01 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 17.64 1r9p h ALA 119 CO -0.05 0.67 -0.12 0.22 0.00 0.00 0.00 179.25 179.97 1r9p h ASP 120 N 0.82 -0.30 -0.70 0.00 1.82 -0.96 0.14 116.42 117.25 1r9p h ASP 120 Ca 0.10 -0.23 0.17 0.00 -0.39 0.00 0.00 57.03 56.68 1r9p h ASP 120 Cb 0.83 0.08 -0.04 0.00 0.68 0.00 0.00 39.33 40.88 1r9p h ASP 120 CO 0.07 0.14 0.49 0.22 -1.61 0.00 0.00 179.24 178.55 1r9p h TYR 121 N -0.81 0.24 0.02 0.28 5.03 -1.06 0.12 116.97 120.78 1r9p h TYR 121 Ca -0.04 0.01 -0.23 0.00 2.58 0.00 0.00 58.73 61.05 1r9p h TYR 121 Cb 0.51 -0.07 -0.03 0.00 1.55 0.00 0.00 36.73 38.69 1r9p h TYR 121 CO 0.05 0.08 -1.11 -0.22 -1.32 0.00 0.00 178.16 175.64 1r9p h LYS 122 N 0.20 0.04 0.00 1.82 1.63 -1.27 -3.24 116.57 115.75 1r9p h LYS 122 Ca 0.34 -0.06 -0.06 0.00 -0.85 0.00 0.00 60.65 60.02 1r9p h LYS 122 Cb 1.07 0.02 -0.01 0.00 -0.60 0.00 0.00 32.23 32.71 1r9p h LYS 122 CO -0.06 0.98 -0.27 0.00 -3.45 0.00 0.00 179.45 176.65 1r9p h ALA 123 N 0.94 1.08 -0.71 5.00 0.00 0.13 -2.85 119.26 122.86 1r9p h ALA 123 Ca -0.06 -0.24 -0.43 0.00 0.00 0.00 0.00 54.91 54.18 1r9p h ALA 123 Cb 1.82 -0.04 -0.21 0.00 0.00 0.00 0.00 17.79 19.36 1r9p h ALA 123 CO 0.13 0.33 0.56 1.63 0.00 0.00 0.00 179.25 181.91 1r9p n LYS 124 N -3.53 2.07 -2.69 0.00 4.76 -0.67 -4.18 118.16 113.92 1r9p n LYS 124 Ca -0.00 -2.25 -0.04 0.00 -2.87 0.00 0.00 58.31 53.15 1r9p n LYS 124 Cb 0.42 -1.88 0.12 0.00 -1.84 0.00 0.00 35.03 31.85 1r9p n LYS 124 CO 0.00 0.00 0.00 0.94 -1.37 0.00 0.00 177.40 176.97 1r9p n GLN 125 N -0.40 1.30 0.00 1.97 7.27 -1.07 -4.59 117.38 121.86 1r9p n GLN 125 Ca 0.44 -1.61 0.00 0.00 0.07 0.00 0.00 57.00 55.90 1r9p n GLN 125 Cb 0.91 0.12 0.00 0.00 2.41 0.00 0.00 30.24 33.67 1r9p n GLN 125 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 1r9p n GLY 126 N -1.06 1.33 0.09 1.69 0.00 -1.26 -4.32 105.19 101.67 1r9p n GLY 126 Ca -0.10 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.92 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 0.04 -1.21 0.99 4.32 -1.26 -4.92 117.00 114.96 1r9p n LEU 127 Ca 0.00 -0.02 0.16 0.00 -0.02 0.00 0.00 56.01 56.13 1r9p n LEU 127 Cb 0.00 -0.02 -0.05 0.00 -1.62 0.00 0.00 43.42 41.74 1r9p n LEU 127 CO 0.00 0.01 -0.27 -0.62 -1.22 0.00 0.00 177.39 175.29 1r9p n GLU 128 N -0.33 -2.43 -2.36 3.23 1.02 -1.26 -4.83 120.64 113.67 1r9p n GLU 128 Ca 0.00 1.68 -0.02 0.00 -0.02 0.00 0.00 57.16 58.80 1r9p n GLU 128 Cb 0.01 -2.98 0.07 0.00 -0.02 0.00 0.00 31.44 28.52 1r9p n GLU 128 CO 0.00 0.00 0.00 -2.39 1.18 0.00 0.00 177.13 175.92 1r9p n HIS 129 N -3.66 -0.91 0.00 -0.32 1.44 -1.26 -4.93 115.22 105.59 1r9p n HIS 129 Ca -0.01 -1.53 0.00 0.00 -2.01 0.00 0.00 57.72 54.18 1r9p n HIS 129 Cb 0.64 0.91 0.00 0.00 0.12 0.00 0.00 29.99 31.66 1r9p n HIS 129 CO 0.00 0.00 0.00 1.58 -2.81 0.00 0.00 176.34 175.11 1r9p n HIS 130 N -0.97 0.00 -2.25 -1.40 -0.00 -1.26 -5.00 115.22 104.33 1r9p n HIS 130 Ca -0.13 0.00 -0.09 0.00 -0.00 0.00 0.00 57.72 57.50 1r9p n HIS 130 Cb 0.85 0.00 -0.01 0.00 -0.00 0.00 0.00 29.99 30.83 1r9p n HIS 130 CO 0.00 0.00 0.00 1.58 -0.00 0.00 0.00 176.34 177.92 1r9p n HIS 131 N -0.89 -1.39 0.30 1.57 -0.00 -1.26 -4.68 115.22 108.88 1r9p n HIS 131 Ca 0.00 0.00 0.06 0.00 0.46 0.00 0.00 57.72 58.24 1r9p n HIS 131 Cb 0.01 -2.28 0.30 0.00 -0.12 0.00 0.00 29.99 27.90 1r9p n HIS 131 CO 0.00 0.00 0.00 1.25 0.46 0.00 0.00 176.34 178.05 1r9p h HIS 132 N 0.00 0.00 -1.44 1.57 6.17 -2.03 -3.38 115.15 116.03 1r9p h HIS 132 Ca -0.21 0.00 0.00 0.00 0.71 0.00 0.00 60.37 60.87 1r9p h HIS 132 Cb 1.06 0.00 0.00 0.00 2.52 0.00 0.00 27.41 30.99 1r9p h HIS 132 CO 0.66 0.00 0.00 0.72 0.71 0.00 0.00 177.93 180.02 1r9p n HIS 133 N -2.49 -2.81 1.21 5.26 8.25 -1.26 -5.31 115.22 118.07 1r9p n HIS 133 Ca -0.01 0.00 0.13 0.00 -0.26 0.00 0.00 57.72 57.58 1r9p n HIS 133 Cb 0.70 0.00 0.28 0.00 1.12 0.00 0.00 29.99 32.10 1r9p n HIS 133 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70