#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 2.16 -0.28 3.17 0.00 -1.26 -4.64 120.51 119.66 1r9p n ALA 2 Ca 0.00 -0.49 0.00 0.00 0.00 0.00 0.00 53.44 52.95 1r9p n ALA 2 Cb 0.00 -0.25 0.00 0.00 0.00 0.00 0.00 19.45 19.20 1r9p n ALA 2 CO 0.00 0.00 0.00 2.48 0.00 0.00 0.00 177.50 179.98 1r9p n TYR 3 N -2.14 0.00 0.30 0.00 0.18 -1.26 -4.68 117.16 109.57 1r9p n TYR 3 Ca -0.09 0.00 0.18 0.00 1.88 0.00 0.00 57.90 59.87 1r9p n TYR 3 Cb 0.55 0.00 0.83 0.00 -0.38 0.00 0.00 39.34 40.34 1r9p n TYR 3 CO 0.00 0.00 0.00 1.03 -2.08 0.00 0.00 176.86 175.81 1r9p h SER 4 N 0.00 0.00 0.57 9.48 0.87 -1.83 -1.19 113.55 121.45 1r9p h SER 4 Ca 0.00 0.00 -0.29 0.00 -1.23 0.00 0.00 61.79 60.27 1r9p h SER 4 Cb 0.14 0.00 -0.00 0.00 -0.44 0.00 0.00 62.40 62.10 1r9p h SER 4 CO 0.00 0.00 -1.37 -0.33 -0.53 0.00 0.00 176.83 174.60 1r9p h GLU 5 N 0.00 0.24 0.00 2.24 5.08 -1.88 -3.40 114.58 116.86 1r9p h GLU 5 Ca 0.00 -0.41 0.00 0.00 -1.00 0.00 0.00 59.36 57.95 1r9p h GLU 5 Cb 0.25 0.15 0.00 0.00 0.50 0.00 0.00 28.75 29.65 1r9p h GLU 5 CO 0.00 1.14 -0.04 0.87 -1.00 0.00 0.00 179.01 179.98 1r9p h LYS 6 N 0.07 0.00 -6.81 2.33 1.57 -1.70 -3.46 116.57 108.57 1r9p h LYS 6 Ca -0.18 0.00 -0.53 0.00 -1.87 0.00 0.00 60.65 58.07 1r9p h LYS 6 Cb 1.98 0.00 0.08 0.00 0.08 0.00 0.00 32.23 34.37 1r9p h LYS 6 CO 0.18 0.00 0.83 0.08 -0.57 0.00 0.00 179.45 179.97 1r9p s VAL 7 N -1.19 2.26 0.18 0.50 1.01 -0.51 -4.88 120.40 117.76 1r9p s VAL 7 Ca -0.01 0.22 -0.33 0.00 0.00 0.00 0.00 61.98 61.86 1r9p s VAL 7 Cb 0.00 -3.14 -0.14 0.00 0.00 0.00 0.00 36.38 33.10 1r9p s VAL 7 CO 0.02 0.04 1.57 -0.38 0.00 0.00 0.00 175.10 176.35 1r9p n ILE 8 N 1.97 0.15 0.78 2.22 -0.00 -1.26 -4.67 119.36 118.55 1r9p n ILE 8 Ca 0.07 -0.04 0.00 0.00 -0.00 0.00 0.00 62.75 62.78 1r9p n ILE 8 Cb 0.39 -1.59 0.04 0.00 -0.00 0.00 0.00 39.64 38.47 1r9p n ILE 8 CO 0.00 0.00 0.00 -0.90 -0.00 0.00 0.00 176.55 175.65 1r9p n ASP 9 N 3.28 1.74 -3.87 4.38 5.75 -1.26 -4.91 116.55 121.66 1r9p n ASP 9 Ca 0.16 -2.12 -0.27 0.00 -0.01 0.00 0.00 54.79 52.55 1r9p n ASP 9 Cb 0.30 -0.52 0.20 0.00 -1.03 0.00 0.00 41.12 40.07 1r9p n ASP 9 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1r9p n HIS 10 N 0.10 -2.22 -3.77 2.11 1.44 -1.26 -5.04 115.22 106.58 1r9p n HIS 10 Ca 0.04 -0.16 -0.07 0.00 -2.01 0.00 0.00 57.72 55.51 1r9p n HIS 10 Cb 0.39 -1.47 -0.01 0.00 0.12 0.00 0.00 29.99 29.02 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 -4.82 -1.11 1.04 -1.40 4.01 -1.26 -5.03 117.16 108.59 1r9p n TYR 11 Ca 0.05 -1.24 0.12 0.00 -0.16 0.00 0.00 57.90 56.67 1r9p n TYR 11 Cb 0.52 0.33 0.10 0.00 -0.31 0.00 0.00 39.34 39.99 1r9p n TYR 11 CO 0.00 0.00 0.00 0.39 -0.46 0.00 0.00 176.86 176.79 1r9p n GLU 12 N -0.31 1.78 -2.70 -0.72 4.71 -1.26 -4.63 120.64 117.51 1r9p n GLU 12 Ca -0.00 -1.44 -0.06 0.00 -0.01 0.00 0.00 57.16 55.65 1r9p n GLU 12 Cb 0.32 -1.47 0.09 0.00 -1.01 0.00 0.00 31.44 29.37 1r9p n GLU 12 CO 0.00 0.00 0.00 0.09 0.09 0.00 0.00 177.13 177.31 1r9p n ASN 13 N 0.65 -1.81 -4.54 1.62 5.03 -1.26 -5.13 115.26 109.82 1r9p n ASN 13 Ca 0.12 -2.56 -0.59 0.00 0.87 0.00 0.00 54.58 52.42 1r9p n ASN 13 Cb 0.52 1.38 -0.08 0.00 -1.02 0.00 0.00 39.78 40.58 1r9p n ASN 13 CO 0.00 0.00 0.00 -2.65 -1.83 0.00 0.00 177.26 172.78 1r9p n PRO 14 N 0.86 0.16 -0.02 3.52 -0.02 -1.26 -4.88 135.00 133.36 1r9p n PRO 14 Ca 0.01 0.06 -0.02 0.00 -2.02 0.00 0.00 63.50 61.53 1r9p n PRO 14 Cb 0.71 -1.58 -0.04 0.00 -0.02 0.00 0.00 33.50 32.57 1r9p n PRO 14 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 1r9p n ARG 15 N 1.93 2.69 0.00 -0.52 1.74 -1.26 -5.02 116.66 116.22 1r9p n ARG 15 Ca 0.21 -0.01 0.00 0.00 -0.77 0.00 0.00 57.85 57.28 1r9p n ARG 15 Cb 0.08 -1.13 0.00 0.00 -1.02 0.00 0.00 32.46 30.39 1r9p n ARG 15 CO 0.00 0.00 0.00 0.27 -1.52 0.00 0.00 177.63 176.38 1r9p n ASN 16 N -2.12 0.00 0.00 0.55 2.04 -1.26 -4.73 115.26 109.74 1r9p n ASN 16 Ca -0.07 0.00 0.00 0.00 -0.44 0.00 0.00 54.58 54.07 1r9p n ASN 16 Cb 0.59 0.00 0.00 0.00 -2.53 0.00 0.00 39.78 37.84 1r9p n ASN 16 CO 0.00 0.00 0.00 0.52 -0.44 0.00 0.00 177.26 177.34 1r9p n VAL 17 N 0.00 0.00 0.00 3.53 0.31 -1.26 -4.57 118.33 116.34 1r9p n VAL 17 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.33 1r9p n VAL 17 Cb 0.00 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 32.93 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 0.00 0.10 3.64 2.92 0.00 -1.26 -5.19 105.19 105.40 1r9p n GLY 18 Ca 0.00 0.16 -0.09 0.00 0.00 0.00 0.00 46.02 46.09 1r9p n GLY 18 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1r9p s SER 19 N 0.00 -0.31 0.00 1.61 0.01 -1.26 -5.02 113.70 108.73 1r9p s SER 19 Ca 0.00 -0.47 0.00 0.00 1.31 0.00 0.00 55.95 56.79 1r9p s SER 19 Cb 0.00 0.64 0.00 0.00 0.21 0.00 0.00 66.02 66.87 1r9p s SER 19 CO 0.00 -1.16 0.00 -0.11 0.41 0.00 0.00 173.24 172.38 1r9p n LEU 20 N -0.40 0.00 0.06 2.44 7.94 -1.26 -4.78 117.00 121.01 1r9p n LEU 20 Ca -0.08 0.00 0.12 0.00 -1.11 0.00 0.00 56.01 54.93 1r9p n LEU 20 Cb 0.62 -0.21 0.06 0.00 0.53 0.00 0.00 43.42 44.41 1r9p n LEU 20 CO 0.16 -0.29 0.10 -0.90 -1.11 0.00 0.00 177.39 175.34 1r9p n ASP 21 N -2.03 0.70 0.00 1.96 5.75 -1.26 -4.91 116.55 116.76 1r9p n ASP 21 Ca 0.00 0.10 0.00 0.00 -0.01 0.00 0.00 54.79 54.88 1r9p n ASP 21 Cb 0.00 0.51 0.00 0.00 -1.03 0.00 0.00 41.12 40.60 1r9p n ASP 21 CO 0.00 0.00 0.00 1.17 -0.11 0.00 0.00 177.20 178.26 1r9p n LYS 22 N -2.27 0.00 0.14 0.11 4.81 -1.26 -4.67 118.16 115.02 1r9p n LYS 22 Ca 0.01 0.00 0.12 0.00 -0.87 0.00 0.00 58.31 57.57 1r9p n LYS 22 Cb 0.48 -1.77 0.53 0.00 0.02 0.00 0.00 35.03 34.30 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 -1.13 0.18 0.00 1.64 4.81 -1.26 -4.95 118.16 117.44 1r9p n LYS 23 Ca 0.00 0.50 0.00 0.00 -0.87 0.00 0.00 58.31 57.94 1r9p n LYS 23 Cb 0.00 -1.91 0.00 0.00 0.02 0.00 0.00 35.03 33.14 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 -2.26 0.00 0.00 3.14 -0.08 -1.26 -4.88 116.55 111.21 1r9p n ASP 24 Ca 0.01 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.29 1r9p n ASP 24 Cb 0.16 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.62 1r9p n ASP 24 CO 0.00 0.00 0.00 -1.20 0.12 0.00 0.00 177.20 176.12 1r9p n SER 25 N -0.10 0.00 -0.46 1.67 7.64 -1.26 -4.37 113.62 116.74 1r9p n SER 25 Ca 0.00 0.00 -0.01 0.00 1.01 0.00 0.00 58.87 59.87 1r9p n SER 25 Cb 0.00 -0.19 -0.01 0.00 -1.01 0.00 0.00 64.21 63.00 1r9p n SER 25 CO 0.00 0.00 0.00 -0.46 -3.01 0.00 0.00 175.04 171.57 1r9p n ASN 26 N 0.00 -0.12 -3.90 6.43 6.94 -1.26 -5.00 115.26 118.34 1r9p n ASN 26 Ca 0.00 -0.28 -0.31 0.00 -0.02 0.00 0.00 54.58 53.98 1r9p n ASN 26 Cb 0.00 0.04 -0.15 0.00 -2.36 0.00 0.00 39.78 37.31 1r9p n ASN 26 CO 0.00 0.00 0.00 -0.69 -1.03 0.00 0.00 177.26 175.54 1r9p s VAL 27 N 0.00 1.73 0.07 3.53 1.01 -1.26 -1.08 120.40 124.40 1r9p s VAL 27 Ca 0.00 -1.99 -0.20 0.00 0.00 0.00 0.00 61.98 59.79 1r9p s VAL 27 Cb 0.00 -2.29 -0.07 0.00 0.00 0.00 0.00 36.38 34.03 1r9p s VAL 27 CO 0.00 -0.63 0.58 -0.83 0.00 0.00 0.00 175.10 174.21 1r9p s GLY 28 N 1.16 2.68 -0.04 4.51 0.00 0.20 -4.69 107.32 111.15 1r9p s GLY 28 Ca 0.11 0.04 -0.01 0.00 0.00 0.00 0.00 44.72 44.86 1r9p s GLY 28 CO -0.15 0.49 0.04 -1.59 0.00 0.00 0.00 173.10 171.89 1r9p s THR 29 N -1.07 0.02 0.09 0.90 2.01 -1.26 -1.55 115.64 114.78 1r9p s THR 29 Ca 0.29 0.31 0.09 0.00 0.31 0.00 0.00 61.69 62.69 1r9p s THR 29 Cb -0.20 -0.22 -0.03 0.00 0.01 0.00 0.00 72.50 72.06 1r9p s THR 29 CO 0.19 0.18 -0.24 -0.83 -0.69 0.00 0.00 174.62 173.23 1r9p s GLY 30 N 1.85 1.37 -0.10 4.40 0.00 0.59 -4.62 107.32 110.80 1r9p s GLY 30 Ca 0.01 -1.30 -0.04 0.00 0.00 0.00 0.00 44.72 43.39 1r9p s GLY 30 CO -0.03 -1.27 0.21 -0.29 0.00 0.00 0.00 173.10 171.72 1r9p s MET 31 N -1.75 0.14 0.05 2.90 1.75 -1.26 -1.42 119.30 119.71 1r9p s MET 31 Ca 0.10 0.54 -0.08 0.00 -1.25 0.00 0.00 55.69 55.00 1r9p s MET 31 Cb -0.10 -0.14 -0.00 0.00 2.84 0.00 0.00 34.83 37.43 1r9p s MET 31 CO 0.04 -0.21 0.16 0.14 -0.65 0.00 0.00 175.02 174.51 1r9p s VAL 32 N 1.61 0.12 0.08 10.11 -7.23 -0.78 -5.04 120.40 119.28 1r9p s VAL 32 Ca -0.06 -1.03 0.01 0.00 -1.81 0.00 0.00 61.98 59.10 1r9p s VAL 32 Cb -0.11 -1.01 -0.04 0.00 0.56 0.00 0.00 36.38 35.78 1r9p s VAL 32 CO -0.08 -0.57 -0.06 -0.83 -0.31 0.00 0.00 175.10 173.26 1r9p s GLY 33 N -2.27 0.66 0.01 2.32 0.00 -1.26 -0.97 107.32 105.82 1r9p s GLY 33 Ca -0.03 -1.26 0.03 0.00 0.00 0.00 0.00 44.72 43.46 1r9p s GLY 33 CO -0.06 -1.36 -0.10 0.00 0.00 0.00 0.00 173.10 171.58 1r9p s ALA 34 N -3.51 0.86 -0.08 3.20 0.00 -0.62 -4.97 121.76 116.64 1r9p s ALA 34 Ca 0.09 -0.55 -0.25 0.00 0.00 0.00 0.00 51.96 51.25 1r9p s ALA 34 Cb 0.05 -0.17 -0.21 0.00 0.00 0.00 0.00 23.12 22.79 1r9p s ALA 34 CO -0.06 0.18 0.91 -1.00 0.00 0.00 0.00 175.76 175.79 1r9p h PRO 35 N 5.53 -0.04 -0.87 0.00 0.13 -1.94 0.79 132.00 135.60 1r9p h PRO 35 Ca -0.33 0.00 0.18 0.00 -0.87 0.00 0.00 66.00 64.98 1r9p h PRO 35 Cb 1.18 0.01 -0.16 0.00 0.13 0.00 0.00 31.00 32.16 1r9p h PRO 35 CO 0.47 0.62 -0.20 0.00 -0.23 0.00 0.00 178.00 178.67 1r9p n ALA 36 N -2.53 0.23 0.86 -0.56 0.00 -1.26 0.73 120.51 117.97 1r9p n ALA 36 Ca -0.09 0.95 0.09 0.00 0.00 0.00 0.00 53.44 54.40 1r9p n ALA 36 Cb 0.34 -0.58 -0.08 0.00 0.00 0.00 0.00 19.45 19.13 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 1.40 -0.36 3.40 0.00 0.00 0.27 -4.83 105.19 105.08 1r9p n GLY 38 Ca 0.04 0.15 -0.28 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 3.34 -0.33 1.61 2.15 -0.81 -4.92 116.67 113.79 1r9p s ASP 39 Ca 0.30 -0.81 0.00 0.00 0.43 0.00 0.00 52.55 52.47 1r9p s ASP 39 Cb -0.15 -0.23 0.08 0.00 -0.30 0.00 0.00 42.92 42.31 1r9p s ASP 39 CO 0.85 0.14 0.04 0.68 -0.17 0.00 0.00 175.17 176.71 1r9p s VAL 40 N -1.40 2.72 0.10 1.11 -7.23 -1.26 -1.59 120.40 112.84 1r9p s VAL 40 Ca 0.17 -1.85 -0.14 0.00 -1.81 0.00 0.00 61.98 58.35 1r9p s VAL 40 Cb -0.09 -2.76 -0.06 0.00 0.56 0.00 0.00 36.38 34.03 1r9p s VAL 40 CO 0.08 -0.37 0.50 -0.32 -0.31 0.00 0.00 175.10 174.68 1r9p s MET 41 N 1.10 3.95 -0.07 4.82 1.75 -0.14 -4.57 119.30 126.15 1r9p s MET 41 Ca 0.02 0.45 0.01 0.00 -1.25 0.00 0.00 55.69 54.91 1r9p s MET 41 Cb -0.20 -3.04 0.02 0.00 2.84 0.00 0.00 34.83 34.45 1r9p s MET 41 CO -0.04 0.56 -0.06 -1.14 -0.65 0.00 0.00 175.02 173.69 1r9p s GLN 42 N -1.67 1.09 -0.11 4.11 0.74 -0.88 -1.87 119.66 121.06 1r9p s GLN 42 Ca 0.33 -0.15 0.02 0.00 0.05 0.00 0.00 55.36 55.61 1r9p s GLN 42 Cb -0.16 -1.12 -0.01 0.00 1.10 0.00 0.00 33.01 32.83 1r9p s GLN 42 CO 0.18 -0.14 -0.19 -1.17 -0.55 0.00 0.00 175.29 173.42 1r9p s LEU 43 N 1.22 2.36 -0.21 3.68 2.96 -0.51 -2.11 118.68 126.08 1r9p s LEU 43 Ca -0.06 -0.45 0.01 0.00 -0.22 0.00 0.00 54.13 53.41 1r9p s LEU 43 Cb -0.14 -1.49 0.05 0.00 0.50 0.00 0.00 46.19 45.11 1r9p s LEU 43 CO -0.02 0.18 -0.07 -1.10 -1.32 0.00 0.00 176.35 174.01 1r9p s GLN 44 N 0.27 1.75 -0.06 1.98 -0.21 0.19 -0.30 119.66 123.28 1r9p s GLN 44 Ca -0.14 -0.84 -0.01 0.00 0.02 0.00 0.00 55.36 54.40 1r9p s GLN 44 Cb -0.17 -2.41 -0.03 0.00 1.00 0.00 0.00 33.01 31.40 1r9p s GLN 44 CO 0.07 -0.50 0.01 0.96 -2.12 0.00 0.00 175.29 173.71 1r9p s ILE 45 N 1.44 4.29 -0.07 1.08 -4.36 -0.59 -0.53 121.20 122.46 1r9p s ILE 45 Ca -0.03 -0.36 0.02 0.00 -0.26 0.00 0.00 60.65 60.02 1r9p s ILE 45 Cb -0.17 -2.85 -0.02 0.00 1.25 0.00 0.00 42.46 40.67 1r9p s ILE 45 CO -0.07 0.52 -0.12 -0.54 0.24 0.00 0.00 174.94 174.97 1r9p s LYS 46 N -1.13 2.78 0.01 0.37 3.01 -0.85 -0.63 119.74 123.30 1r9p s LYS 46 Ca 0.16 -0.65 0.02 0.00 -1.01 0.00 0.00 55.97 54.49 1r9p s LYS 46 Cb -0.11 -2.50 -0.04 0.00 -1.01 0.00 0.00 37.83 34.17 1r9p s LYS 46 CO 0.05 0.54 -0.01 0.08 0.51 0.00 0.00 175.35 176.52 1r9p s VAL 47 N -0.49 4.08 0.00 3.17 1.01 -0.24 -3.01 120.40 124.91 1r9p s VAL 47 Ca 0.07 -0.65 0.00 0.00 0.00 0.00 0.00 61.98 61.39 1r9p s VAL 47 Cb -0.12 -2.82 0.00 0.00 0.00 0.00 0.00 36.38 33.44 1r9p s VAL 47 CO 0.02 0.36 0.00 -0.90 0.00 0.00 0.00 175.10 174.58 1r9p n ASP 48 N 1.35 0.00 -0.33 3.32 5.75 -0.96 -4.81 116.55 120.87 1r9p n ASP 48 Ca -0.14 0.00 0.00 0.00 -0.01 0.00 0.00 54.79 54.64 1r9p n ASP 48 Cb 0.53 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.62 1r9p n ASP 48 CO 0.00 0.00 0.00 0.47 -0.11 0.00 0.00 177.20 177.56 1r9p n ASP 49 N 0.00 0.00 0.00 -1.12 8.00 -1.26 -4.89 116.55 117.28 1r9p n ASP 49 Ca 0.00 -1.14 0.00 0.00 0.71 0.00 0.00 54.79 54.36 1r9p n ASP 49 Cb 0.00 -0.03 0.00 0.00 -0.02 0.00 0.00 41.12 41.07 1r9p n ASP 49 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 1r9p n ASN 50 N 0.00 0.20 0.00 -2.24 3.02 -1.26 -4.98 115.26 110.00 1r9p n ASN 50 Ca 0.00 -1.06 0.00 0.00 -0.03 0.00 0.00 54.58 53.49 1r9p n ASN 50 Cb 0.53 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.70 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 -0.03 0.83 3.72 7.41 0.00 -1.26 -5.06 105.19 110.80 1r9p n GLY 51 Ca 0.00 -0.34 -0.32 0.00 0.00 0.00 0.00 46.02 45.36 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 4.32 -1.12 -0.61 -1.09 -1.26 -2.60 121.20 116.84 1r9p s ILE 52 Ca 0.00 -0.62 -0.18 0.00 -2.23 0.00 0.00 60.65 57.62 1r9p s ILE 52 Cb 0.00 -2.97 0.12 0.00 -1.58 0.00 0.00 42.46 38.03 1r9p s ILE 52 CO 0.00 0.31 1.42 -0.63 -1.23 0.00 0.00 174.94 174.81 1r9p s ILE 53 N -1.17 4.56 0.19 2.92 -1.09 -0.25 -2.26 121.20 124.08 1r9p s ILE 53 Ca 0.22 -1.86 -0.22 0.00 -2.23 0.00 0.00 60.65 56.56 1r9p s ILE 53 Cb -0.12 -4.96 0.11 0.00 -1.58 0.00 0.00 42.46 35.91 1r9p s ILE 53 CO 0.13 -1.73 1.58 1.05 -1.23 0.00 0.00 174.94 174.74 1r9p h GLU 54 N 8.17 -0.16 -3.69 2.79 4.11 -1.85 -1.17 114.58 122.78 1r9p h GLU 54 Ca 0.28 0.01 -0.08 0.00 0.07 0.00 0.00 59.36 59.64 1r9p h GLU 54 Cb 0.94 0.04 -0.13 0.00 0.50 0.00 0.00 28.75 30.09 1r9p h GLU 54 CO 1.28 -0.11 -0.26 0.16 0.07 0.00 0.00 179.01 180.16 1r9p s ASP 55 N -5.19 -0.01 -0.12 3.06 1.47 -1.26 -4.21 116.67 110.41 1r9p s ASP 55 Ca -0.14 -0.61 -0.02 0.00 1.18 0.00 0.00 52.55 52.95 1r9p s ASP 55 Cb 0.15 0.41 0.04 0.00 -0.34 0.00 0.00 42.92 43.19 1r9p s ASP 55 CO 0.68 -0.82 0.03 0.00 0.68 0.00 0.00 175.17 175.74 1r9p s ALA 56 N -3.87 0.70 -0.03 2.11 0.00 -1.26 -2.01 121.76 117.39 1r9p s ALA 56 Ca 0.08 -0.28 -0.10 0.00 0.00 0.00 0.00 51.96 51.65 1r9p s ALA 56 Cb 0.03 -0.90 -0.05 0.00 0.00 0.00 0.00 23.12 22.21 1r9p s ALA 56 CO -0.08 -0.77 0.29 0.15 0.00 0.00 0.00 175.76 175.35 1r9p s LYS 57 N 1.98 3.68 0.31 0.00 -0.14 0.31 -4.96 119.74 120.92 1r9p s LYS 57 Ca 0.03 0.12 0.04 0.00 -1.36 0.00 0.00 55.97 54.80 1r9p s LYS 57 Cb -0.14 -3.17 -0.03 0.00 -1.68 0.00 0.00 37.83 32.81 1r9p s LYS 57 CO -0.06 0.70 0.20 -0.59 -0.76 0.00 0.00 175.35 174.84 1r9p s PHE 58 N -1.13 1.63 -0.29 3.18 -0.71 -1.26 -0.64 117.98 118.75 1r9p s PHE 58 Ca 0.22 -1.49 -0.14 0.00 -1.04 0.00 0.00 56.93 54.48 1r9p s PHE 58 Cb -0.14 -0.79 0.14 0.00 -1.21 0.00 0.00 43.02 41.02 1r9p s PHE 58 CO 0.11 -0.67 0.87 0.21 -1.34 0.00 0.00 175.22 174.41 1r9p s LYS 59 N -3.69 0.44 -0.28 1.99 2.20 -0.90 -4.97 119.74 114.53 1r9p s LYS 59 Ca 0.37 0.93 -0.19 0.00 -0.36 0.00 0.00 55.97 56.72 1r9p s LYS 59 Cb 0.04 0.38 0.08 0.00 -1.51 0.00 0.00 37.83 36.82 1r9p s LYS 59 CO 0.21 -0.12 0.72 -0.08 -0.36 0.00 0.00 175.35 175.71 1r9p s THR 60 N 2.10 0.00 -0.17 3.43 -1.32 -1.26 -2.08 115.64 116.34 1r9p s THR 60 Ca -0.06 0.00 -0.08 0.00 -1.21 0.00 0.00 61.69 60.34 1r9p s THR 60 Cb -0.06 -1.00 0.07 0.00 -1.51 0.00 0.00 72.50 69.99 1r9p s THR 60 CO -0.17 0.00 0.38 -0.72 -2.21 0.00 0.00 174.62 171.90 1r9p s TYR 61 N 1.18 -0.63 0.00 9.09 -0.85 -1.26 -4.93 117.35 119.95 1r9p s TYR 61 Ca -0.06 1.29 0.00 0.00 -0.52 0.00 0.00 57.07 57.78 1r9p s TYR 61 Cb -0.05 0.23 0.00 0.00 0.38 0.00 0.00 41.96 42.52 1r9p s TYR 61 CO -0.12 -0.38 0.00 0.41 -1.52 0.00 0.00 175.55 173.93 1r9p n GLY 62 N 4.75 4.40 3.77 5.49 0.00 -1.26 -4.71 105.19 117.62 1r9p n GLY 62 Ca -0.17 -0.79 -0.38 0.00 0.00 0.00 0.00 46.02 44.68 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 0.93 -0.14 0.19 0.00 0.00 -1.26 -4.08 105.19 100.84 1r9p n GLY 64 Ca 0.00 -0.59 0.03 0.00 0.00 0.00 0.00 46.02 45.46 1r9p n GLY 64 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1r9p n SER 65 N -0.21 1.20 -0.02 1.61 3.41 -1.26 -4.61 113.62 113.73 1r9p n SER 65 Ca 0.10 -1.10 -0.21 0.00 -0.26 0.00 0.00 58.87 57.40 1r9p n SER 65 Cb 0.44 0.28 -0.13 0.00 -0.26 0.00 0.00 64.21 64.54 1r9p n SER 65 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1r9p n ALA 66 N -0.05 0.96 -0.32 7.33 0.00 -1.26 -3.64 120.51 123.53 1r9p n ALA 66 Ca 0.03 -0.66 0.17 0.00 0.00 0.00 0.00 53.44 52.98 1r9p n ALA 66 Cb 0.15 -0.58 0.34 0.00 0.00 0.00 0.00 19.45 19.36 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 -0.05 0.11 -0.04 0.00 2.04 -1.82 1.43 117.51 119.18 1r9p h ILE 67 Ca -0.45 -0.02 -0.03 0.00 1.00 0.00 0.00 64.86 65.36 1r9p h ILE 67 Cb 1.95 0.03 0.00 0.00 -0.74 0.00 0.00 36.82 38.06 1r9p h ILE 67 CO 0.03 0.01 -0.09 0.00 0.00 0.00 0.00 178.15 178.10 1r9p h ALA 68 N 1.92 0.06 0.25 1.87 0.00 -1.86 -2.91 119.26 118.59 1r9p h ALA 68 Ca 0.63 -0.34 -0.01 0.00 0.00 0.00 0.00 54.91 55.19 1r9p h ALA 68 Cb 1.38 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.16 1r9p h ALA 68 CO -0.81 -0.07 -0.12 0.77 0.00 0.00 0.00 179.25 179.02 1r9p h SER 69 N -0.42 -0.28 -0.79 0.00 0.02 -0.61 -2.11 113.55 109.36 1r9p h SER 69 Ca -0.00 0.01 0.31 0.00 -0.84 0.00 0.00 61.79 61.27 1r9p h SER 69 Cb 0.69 0.07 -0.14 0.00 0.14 0.00 0.00 62.40 63.17 1r9p h SER 69 CO 0.02 -0.13 0.34 -1.20 -1.14 0.00 0.00 176.83 174.72 1r9p n SER 70 N -3.32 0.20 -0.14 3.07 7.64 0.45 0.29 113.62 121.82 1r9p n SER 70 Ca -0.04 1.31 -0.12 0.00 1.01 0.00 0.00 58.87 61.03 1r9p n SER 70 Cb 0.13 -0.61 -0.01 0.00 -1.01 0.00 0.00 64.21 62.71 1r9p n SER 70 CO 0.00 0.00 0.00 -1.28 -3.01 0.00 0.00 175.04 170.75 1r9p h SER 71 N 0.00 0.89 0.37 6.43 0.87 -1.43 -2.58 113.55 118.10 1r9p h SER 71 Ca 0.63 -0.40 -0.02 0.00 -1.23 0.00 0.00 61.79 60.77 1r9p h SER 71 Cb 1.61 -0.25 0.00 0.00 -0.44 0.00 0.00 62.40 63.32 1r9p h SER 71 CO -0.63 1.09 -0.18 0.25 -0.53 0.00 0.00 176.83 176.83 1r9p h LEU 72 N 0.69 -0.42 -0.97 2.23 5.85 0.51 -2.64 115.31 120.57 1r9p h LEU 72 Ca 0.10 0.01 0.27 0.00 0.84 0.00 0.00 57.88 59.10 1r9p h LEU 72 Cb 0.75 0.11 -0.18 0.00 0.37 0.00 0.00 40.66 41.71 1r9p h LEU 72 CO 0.06 -0.25 0.07 -0.29 -0.34 0.00 0.00 178.44 177.69 1r9p h ILE 73 N -0.61 0.06 -0.62 4.05 2.10 -1.30 0.87 117.51 122.07 1r9p h ILE 73 Ca -0.05 -0.01 0.07 0.00 1.08 0.00 0.00 64.86 65.95 1r9p h ILE 73 Cb 0.38 0.03 -0.06 0.00 -1.09 0.00 0.00 36.82 36.08 1r9p h ILE 73 CO 0.08 0.01 0.30 0.71 -1.08 0.00 0.00 178.15 178.17 1r9p h THR 74 N 0.03 0.88 -0.07 2.19 1.35 -1.38 0.97 112.91 116.89 1r9p h THR 74 Ca 0.60 -0.19 -0.19 0.00 -0.55 0.00 0.00 66.41 66.09 1r9p h THR 74 Cb 1.25 0.29 -0.01 0.00 -1.73 0.00 0.00 68.15 67.95 1r9p h THR 74 CO -0.88 0.10 -0.75 -0.33 -0.25 0.00 0.00 175.52 173.41 1r9p h GLU 75 N 0.55 0.38 0.00 4.72 4.39 0.95 -1.89 114.58 123.68 1r9p h GLU 75 Ca 0.30 -0.32 0.00 0.00 0.34 0.00 0.00 59.36 59.67 1r9p h GLU 75 Cb 0.27 0.07 0.00 0.00 -0.10 0.00 0.00 28.75 28.99 1r9p h GLU 75 CO -0.23 0.97 0.00 0.91 -1.16 0.00 0.00 179.01 179.50 1r9p n TRP 76 N -3.82 0.63 -1.29 4.33 7.02 0.80 -2.47 117.44 122.64 1r9p n TRP 76 Ca -0.04 0.24 0.08 0.00 -1.02 0.00 0.00 57.50 56.76 1r9p n TRP 76 Cb 0.72 -0.89 0.14 0.00 -2.42 0.00 0.00 31.31 28.86 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 -2.07 1.78 -3.51 -0.99 0.24 0.25 -4.81 118.33 109.22 1r9p n VAL 77 Ca 0.03 -2.28 -0.39 0.00 -2.04 0.00 0.00 64.34 59.65 1r9p n VAL 77 Cb 0.24 -0.16 -0.10 0.00 -1.47 0.00 0.00 33.84 32.35 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 -2.68 3.74 0.00 7.34 2.20 -0.74 -4.11 119.74 125.49 1r9p s LYS 78 Ca 0.31 -0.39 0.00 0.00 -0.36 0.00 0.00 55.97 55.53 1r9p s LYS 78 Cb 0.28 -3.74 0.00 0.00 -1.51 0.00 0.00 37.83 32.87 1r9p s LYS 78 CO 0.00 -0.35 0.00 0.41 -0.36 0.00 0.00 175.35 175.06 1r9p n GLY 79 N 5.00 0.49 0.00 5.54 0.00 -0.44 -4.99 105.19 110.79 1r9p n GLY 79 Ca -0.12 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.90 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 -1.85 1.04 -4.34 1.61 4.76 -1.26 -4.63 118.16 113.49 1r9p n LYS 80 Ca 0.00 0.00 -0.26 0.00 -2.87 0.00 0.00 58.31 55.18 1r9p n LYS 80 Cb 0.09 0.00 -0.10 0.00 -1.84 0.00 0.00 35.03 33.18 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 -1.00 4.02 0.50 4.39 0.01 -1.26 -1.09 113.70 119.27 1r9p s SER 81 Ca 0.00 -0.71 0.33 0.00 1.31 0.00 0.00 55.95 56.88 1r9p s SER 81 Cb 0.00 -0.58 1.80 0.00 0.21 0.00 0.00 66.02 67.45 1r9p s SER 81 CO 0.00 0.08 2.01 -0.07 0.41 0.00 0.00 173.24 175.68 1r9p h LEU 82 N 2.74 0.00 0.01 2.44 3.38 -1.86 -1.80 115.31 120.22 1r9p h LEU 82 Ca -0.45 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.52 1r9p h LEU 82 Cb 1.22 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.97 1r9p h LEU 82 CO 0.54 0.00 -0.00 -0.08 0.09 0.00 0.00 178.44 178.99 1r9p h GLU 83 N 0.00 -0.01 -0.58 1.13 4.22 -1.91 0.94 114.58 118.37 1r9p h GLU 83 Ca 0.00 0.00 -0.10 0.00 0.08 0.00 0.00 59.36 59.34 1r9p h GLU 83 Cb 0.04 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.27 1r9p h GLU 83 CO 0.00 0.75 -0.02 0.93 -2.18 0.00 0.00 179.01 178.49 1r9p h GLU 84 N -0.81 1.02 -0.14 1.92 3.07 -1.80 -2.89 114.58 114.94 1r9p h GLU 84 Ca -0.00 -0.33 -0.19 0.00 -0.50 0.00 0.00 59.36 58.34 1r9p h GLU 84 Cb 0.77 -0.09 -0.00 0.00 -0.84 0.00 0.00 28.75 28.59 1r9p h GLU 84 CO 0.00 1.01 -0.69 0.00 -1.40 0.00 0.00 179.01 177.93 1r9p h ALA 85 N 1.04 0.52 -0.32 3.43 0.00 -1.44 -2.50 119.26 119.99 1r9p h ALA 85 Ca 0.16 -0.58 -0.24 0.00 0.00 0.00 0.00 54.91 54.25 1r9p h ALA 85 Cb 0.57 -0.05 -0.10 0.00 0.00 0.00 0.00 17.79 18.20 1r9p h ALA 85 CO 0.03 0.72 0.25 0.41 0.00 0.00 0.00 179.25 180.66 1r9p n GLY 86 N 0.52 3.61 0.00 0.00 0.00 0.32 -3.78 105.19 105.87 1r9p n GLY 86 Ca -0.05 -0.88 0.00 0.00 0.00 0.00 0.00 46.02 45.09 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 0.86 0.31 -0.96 4.61 0.00 -1.18 -4.91 120.51 119.25 1r9p n ALA 87 Ca 0.24 0.00 -0.36 0.00 0.00 0.00 0.00 53.44 53.32 1r9p n ALA 87 Cb 0.58 0.00 0.05 0.00 0.00 0.00 0.00 19.45 20.08 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 -1.20 0.00 -4.19 0.00 -5.35 -0.95 -5.00 119.36 102.67 1r9p n ILE 88 Ca 0.00 -0.30 -0.09 0.00 -0.27 0.00 0.00 62.75 62.09 1r9p n ILE 88 Cb 0.00 -0.10 -0.02 0.00 -1.74 0.00 0.00 39.64 37.77 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 1.77 1.10 -0.00 6.28 4.01 -1.26 -4.99 118.16 125.07 1r9p n LYS 89 Ca -0.01 -1.14 0.10 0.00 -0.51 0.00 0.00 58.31 56.75 1r9p n LYS 89 Cb 0.62 0.50 -0.13 0.00 -0.51 0.00 0.00 35.03 35.52 1r9p n LYS 89 CO 0.00 0.00 0.00 0.27 -1.11 0.00 0.00 177.40 176.56 1r9p n ASN 90 N -1.61 0.68 0.25 4.39 6.94 -1.26 -4.17 115.26 120.47 1r9p n ASN 90 Ca -0.04 -0.60 0.13 0.00 -0.02 0.00 0.00 54.58 54.06 1r9p n ASN 90 Cb 0.20 1.37 0.53 0.00 -2.36 0.00 0.00 39.78 39.51 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 0.00 0.00 0.36 0.53 0.02 -1.96 -1.91 113.55 110.58 1r9p h SER 91 Ca 0.00 0.00 -0.02 0.00 -0.84 0.00 0.00 61.79 60.93 1r9p h SER 91 Cb 0.66 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.20 1r9p h SER 91 CO 0.00 0.11 -0.17 1.56 -1.14 0.00 0.00 176.83 177.19 1r9p h GLN 92 N 0.00 -0.46 -0.79 3.45 1.08 -1.99 -1.12 115.11 115.29 1r9p h GLN 92 Ca -0.00 0.03 -0.02 0.00 -1.45 0.00 0.00 58.65 57.21 1r9p h GLN 92 Cb 0.68 0.10 -0.04 0.00 -0.05 0.00 0.00 27.48 28.17 1r9p h GLN 92 CO 0.01 -0.24 0.41 0.82 -0.95 0.00 0.00 178.83 178.88 1r9p h ILE 93 N -1.09 1.24 0.00 2.54 2.04 -1.78 -0.74 117.51 119.72 1r9p h ILE 93 Ca -0.05 -0.61 -0.04 0.00 1.00 0.00 0.00 64.86 65.16 1r9p h ILE 93 Cb 0.43 0.19 -0.01 0.00 -0.74 0.00 0.00 36.82 36.69 1r9p h ILE 93 CO 0.08 0.27 -0.18 0.00 0.00 0.00 0.00 178.15 178.33 1r9p h ALA 94 N 1.35 1.16 0.00 1.87 0.00 -1.41 -1.77 119.26 120.46 1r9p h ALA 94 Ca 0.28 -0.16 -0.04 0.00 0.00 0.00 0.00 54.91 54.99 1r9p h ALA 94 Cb 0.05 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 1r9p h ALA 94 CO -0.04 0.22 -0.72 0.93 0.00 0.00 0.00 179.25 179.63 1r9p h GLU 95 N 0.00 0.00 0.04 0.00 4.39 0.15 -0.79 114.58 118.37 1r9p h GLU 95 Ca -0.00 0.00 -0.14 0.00 0.34 0.00 0.00 59.36 59.56 1r9p h GLU 95 Cb 0.52 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.17 1r9p h GLU 95 CO 0.02 0.09 -0.71 1.49 -1.16 0.00 0.00 179.01 178.75 1r9p h GLU 96 N 0.00 0.08 0.00 2.33 4.57 -0.62 -3.35 114.58 117.60 1r9p h GLU 96 Ca -0.02 -0.14 0.00 0.00 -1.18 0.00 0.00 59.36 58.01 1r9p h GLU 96 Cb 1.12 0.05 0.00 0.00 -0.16 0.00 0.00 28.75 29.77 1r9p h GLU 96 CO 0.01 1.07 -0.57 1.28 -1.18 0.00 0.00 179.01 179.62 1r9p n LEU 97 N -4.37 0.55 -3.80 1.64 4.77 -0.72 -4.98 117.00 110.09 1r9p n LEU 97 Ca -0.19 0.03 -0.27 0.00 -0.03 0.00 0.00 56.01 55.55 1r9p n LEU 97 Cb 0.66 -0.22 0.00 0.00 -2.33 0.00 0.00 43.42 41.53 1r9p n LEU 97 CO 0.33 0.09 -0.20 -0.62 -1.33 0.00 0.00 177.39 175.66 1r9p n GLU 98 N -1.64 -1.32 -3.34 3.23 1.02 -0.30 -4.91 120.64 113.37 1r9p n GLU 98 Ca 0.05 0.68 -0.32 0.00 -0.02 0.00 0.00 57.16 57.55 1r9p n GLU 98 Cb 0.36 -2.54 -0.05 0.00 -0.02 0.00 0.00 31.44 29.18 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 -5.35 4.13 0.45 -4.62 2.34 -1.25 -5.02 118.68 109.37 1r9p s LEU 99 Ca 0.09 0.99 -0.21 0.00 0.06 0.00 0.00 54.13 55.07 1r9p s LEU 99 Cb -0.05 -3.77 -0.13 0.00 -0.56 0.00 0.00 46.19 41.68 1r9p s LEU 99 CO 0.90 -0.11 0.32 -2.65 -1.06 0.00 0.00 176.35 173.74 1r9p n PRO 100 N -0.24 0.32 -0.07 1.48 -0.02 -1.26 -4.77 135.00 130.43 1r9p n PRO 100 Ca 0.01 0.12 -0.13 0.00 -2.02 0.00 0.00 63.50 61.48 1r9p n PRO 100 Cb 0.53 -1.32 -0.06 0.00 -0.02 0.00 0.00 33.50 32.63 1r9p n PRO 100 CO 0.00 0.00 0.00 -1.00 1.98 0.00 0.00 175.50 176.48 1r9p h PRO 101 N 0.45 0.52 0.00 0.52 0.13 -1.99 -2.63 132.00 129.00 1r9p h PRO 101 Ca -0.40 -0.27 0.00 0.00 -0.87 0.00 0.00 66.00 64.46 1r9p h PRO 101 Cb 1.42 0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.56 1r9p h PRO 101 CO 0.48 0.85 0.00 1.55 -0.23 0.00 0.00 178.00 180.65 1r9p n VAL 102 N -4.42 0.53 -2.67 1.56 3.14 -1.26 -1.55 118.33 113.66 1r9p n VAL 102 Ca -0.05 0.13 0.01 0.00 -2.96 0.00 0.00 64.34 61.47 1r9p n VAL 102 Cb 0.41 -1.13 0.04 0.00 -1.06 0.00 0.00 33.84 32.10 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 -1.13 1.06 0.09 1.45 3.00 -1.06 -4.85 118.16 116.73 1r9p n LYS 103 Ca 0.00 -2.68 0.12 0.00 -0.00 0.00 0.00 58.31 55.75 1r9p n LYS 103 Cb 0.00 -0.80 0.25 0.00 0.00 0.00 0.00 35.03 34.49 1r9p n LYS 103 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 177.40 177.16 1r9p h VAL 104 N 5.85 0.00 -0.94 3.15 3.04 -0.93 -3.34 116.25 123.09 1r9p h VAL 104 Ca -0.22 -0.55 0.28 0.00 -1.01 0.00 0.00 66.70 65.19 1r9p h VAL 104 Cb 1.48 1.33 -0.17 0.00 -2.01 0.00 0.00 31.29 31.92 1r9p h VAL 104 CO 0.09 0.00 0.19 1.12 -1.01 0.00 0.00 177.57 177.97 1r9p h HIS 105 N 0.00 0.25 -0.99 3.17 2.07 -1.89 0.17 115.15 117.94 1r9p h HIS 105 Ca 0.00 0.06 0.15 0.00 -2.85 0.00 0.00 60.37 57.73 1r9p h HIS 105 Cb 0.78 0.04 -0.16 0.00 2.57 0.00 0.00 27.41 30.64 1r9p h HIS 105 CO 0.00 -0.35 -0.40 0.00 -3.07 0.00 0.00 177.93 174.11 1r9p h SER 107 N -0.00 -0.53 -0.99 0.00 4.64 -0.95 -2.27 113.55 113.45 1r9p h SER 107 Ca 0.33 -0.08 0.34 0.00 -0.47 0.00 0.00 61.79 61.91 1r9p h SER 107 Cb 0.58 0.14 -0.16 0.00 -0.31 0.00 0.00 62.40 62.65 1r9p h SER 107 CO -0.98 -0.20 0.52 0.40 -0.87 0.00 0.00 176.83 175.70 1r9p h ILE 108 N -0.87 0.22 -0.15 0.95 2.04 -0.86 0.65 117.51 119.48 1r9p h ILE 108 Ca -0.06 -0.08 -0.02 0.00 1.00 0.00 0.00 64.86 65.70 1r9p h ILE 108 Cb 0.57 -0.03 -0.01 0.00 -0.74 0.00 0.00 36.82 36.62 1r9p h ILE 108 CO 0.10 0.04 0.03 -0.07 0.00 0.00 0.00 178.15 178.26 1r9p h LEU 109 N 0.23 0.24 -0.90 1.44 4.07 -0.27 -2.38 115.31 117.72 1r9p h LEU 109 Ca 0.74 -0.24 0.20 0.00 0.08 0.00 0.00 57.88 58.66 1r9p h LEU 109 Cb 1.76 -0.06 -0.17 0.00 1.08 0.00 0.00 40.66 43.27 1r9p h LEU 109 CO -0.66 0.41 -0.14 0.00 -1.08 0.00 0.00 178.44 176.97 1r9p h ALA 110 N 0.83 0.74 -0.31 1.53 0.00 0.89 1.37 119.26 124.31 1r9p h ALA 110 Ca 0.05 0.34 -0.08 0.00 0.00 0.00 0.00 54.91 55.21 1r9p h ALA 110 Cb 0.27 0.63 -0.02 0.00 0.00 0.00 0.00 17.79 18.68 1r9p h ALA 110 CO 0.00 -0.43 -0.15 1.49 0.00 0.00 0.00 179.25 180.16 1r9p h GLU 111 N 0.02 0.55 -0.16 0.00 4.81 -1.25 -2.57 114.58 115.98 1r9p h GLU 111 Ca 0.47 -0.17 -0.11 0.00 -0.13 0.00 0.00 59.36 59.41 1r9p h GLU 111 Cb 0.79 -0.05 -0.01 0.00 0.63 0.00 0.00 28.75 30.10 1r9p h GLU 111 CO -0.90 0.68 -0.37 0.22 -0.73 0.00 0.00 179.01 177.91 1r9p h ASP 112 N 0.50 0.35 -0.17 1.04 3.58 0.21 -2.63 116.42 119.30 1r9p h ASP 112 Ca 0.09 -0.14 -0.03 0.00 0.42 0.00 0.00 57.03 57.37 1r9p h ASP 112 Cb 0.55 -0.10 -0.01 0.00 1.72 0.00 0.00 39.33 41.50 1r9p h ASP 112 CO 0.04 0.70 -0.00 0.00 -2.88 0.00 0.00 179.24 177.09 1r9p h ALA 113 N 1.32 0.23 -0.93 -0.78 0.00 -0.05 0.15 119.26 119.20 1r9p h ALA 113 Ca 0.03 -0.20 0.03 0.00 0.00 0.00 0.00 54.91 54.77 1r9p h ALA 113 Cb 0.79 -0.06 -0.05 0.00 0.00 0.00 0.00 17.79 18.47 1r9p h ALA 113 CO 0.06 -0.06 0.61 0.97 0.00 0.00 0.00 179.25 180.84 1r9p h ILE 114 N 0.04 1.18 0.04 0.00 6.09 -1.41 0.11 117.51 123.56 1r9p h ILE 114 Ca 0.05 -0.41 -0.00 0.00 -1.37 0.00 0.00 64.86 63.13 1r9p h ILE 114 Cb 0.39 -0.12 0.00 0.00 0.47 0.00 0.00 36.82 37.56 1r9p h ILE 114 CO 0.01 0.22 -0.02 0.50 -3.07 0.00 0.00 178.15 175.79 1r9p h LYS 115 N 1.19 -0.06 -0.41 2.19 3.64 -1.24 -2.62 116.57 119.26 1r9p h LYS 115 Ca 0.37 0.00 0.07 0.00 -1.27 0.00 0.00 60.65 59.82 1r9p h LYS 115 Cb -0.02 0.01 -0.02 0.00 -0.41 0.00 0.00 32.23 31.79 1r9p h LYS 115 CO -0.11 0.44 0.28 0.00 -2.27 0.00 0.00 179.45 177.79 1r9p h ALA 116 N 0.34 2.05 0.62 5.00 0.00 -0.39 -0.46 119.26 126.42 1r9p h ALA 116 Ca -0.01 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.86 1r9p h ALA 116 Cb 0.52 -0.05 0.01 0.00 0.00 0.00 0.00 17.79 18.26 1r9p h ALA 116 CO 0.01 -0.14 -0.30 0.00 0.00 0.00 0.00 179.25 178.82 1r9p h ALA 117 N 1.78 -0.84 -0.36 0.00 0.00 -0.67 -1.56 119.26 117.62 1r9p h ALA 117 Ca 0.19 -0.21 0.05 0.00 0.00 0.00 0.00 54.91 54.94 1r9p h ALA 117 Cb 0.40 0.32 -0.05 0.00 0.00 0.00 0.00 17.79 18.47 1r9p h ALA 117 CO -0.04 -0.85 0.07 0.82 0.00 0.00 0.00 179.25 179.26 1r9p h ILE 118 N -1.08 0.81 -0.89 0.00 2.04 -1.07 0.12 117.51 117.44 1r9p h ILE 118 Ca -0.09 -0.07 0.17 0.00 1.00 0.00 0.00 64.86 65.88 1r9p h ILE 118 Cb 0.69 0.61 -0.07 0.00 -0.74 0.00 0.00 36.82 37.30 1r9p h ILE 118 CO 0.14 0.04 0.58 0.00 0.00 0.00 0.00 178.15 178.90 1r9p h ALA 119 N 1.27 2.02 0.20 1.87 0.00 -1.06 -2.11 119.26 121.46 1r9p h ALA 119 Ca 0.17 0.02 -0.01 0.00 0.00 0.00 0.00 54.91 55.09 1r9p h ALA 119 Cb 0.20 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.92 1r9p h ALA 119 CO -0.23 -0.29 -0.09 0.22 0.00 0.00 0.00 179.25 178.86 1r9p h ASP 120 N 0.53 -0.22 -0.98 0.00 3.58 0.02 -1.19 116.42 118.16 1r9p h ASP 120 Ca 0.46 -0.29 0.13 0.00 0.42 0.00 0.00 57.03 57.75 1r9p h ASP 120 Cb 0.95 0.06 -0.14 0.00 1.72 0.00 0.00 39.33 41.91 1r9p h ASP 120 CO -0.20 0.30 -0.45 0.00 -2.88 0.00 0.00 179.24 176.02 1r9p n TYR 121 N -4.96 -0.12 0.19 0.28 9.36 -0.32 0.19 117.16 121.78 1r9p n TYR 121 Ca -0.08 1.21 0.04 0.00 3.32 0.00 0.00 57.90 62.40 1r9p n TYR 121 Cb 0.25 -0.77 0.38 0.00 -0.63 0.00 0.00 39.34 38.57 1r9p n TYR 121 CO 0.00 0.00 0.00 -0.22 0.22 0.00 0.00 176.86 176.86 1r9p h LYS 122 N 0.00 0.00 -0.37 2.98 3.64 -1.51 -2.97 116.57 118.33 1r9p h LYS 122 Ca 0.28 0.00 -0.00 0.00 -1.27 0.00 0.00 60.65 59.66 1r9p h LYS 122 Cb 0.53 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 32.33 1r9p h LYS 122 CO -0.96 0.37 0.22 0.00 -2.27 0.00 0.00 179.45 176.81 1r9p h ALA 123 N 1.63 0.48 0.00 5.00 0.00 0.34 -0.99 119.26 125.72 1r9p h ALA 123 Ca -0.00 -0.06 -0.01 0.00 0.00 0.00 0.00 54.91 54.84 1r9p h ALA 123 Cb 0.72 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 18.35 1r9p h ALA 123 CO 0.05 -0.02 -0.03 0.87 0.00 0.00 0.00 179.25 180.12 1r9p h LYS 124 N 0.49 0.00 -2.16 0.00 1.79 -0.86 -3.22 116.57 112.61 1r9p h LYS 124 Ca 0.13 0.00 -0.55 0.00 -2.18 0.00 0.00 60.65 58.06 1r9p h LYS 124 Cb 0.01 0.00 -0.41 0.00 -1.58 0.00 0.00 32.23 30.25 1r9p h LYS 124 CO -0.02 0.03 -0.87 0.94 -1.08 0.00 0.00 179.45 178.44 1r9p n GLN 125 N -3.16 2.22 0.00 3.15 7.27 -0.49 -4.74 117.38 121.62 1r9p n GLN 125 Ca -0.01 -4.22 0.00 0.00 0.07 0.00 0.00 57.00 52.85 1r9p n GLN 125 Cb 0.25 -1.99 0.00 0.00 2.41 0.00 0.00 30.24 30.91 1r9p n GLN 125 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 1r9p n GLY 126 N 0.10 0.37 1.74 1.69 0.00 -0.50 -4.82 105.19 103.77 1r9p n GLY 126 Ca 0.28 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 46.25 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 -0.01 2.86 0.33 0.99 4.77 -1.26 -4.86 117.00 119.82 1r9p n LEU 127 Ca 0.00 -3.63 -0.17 0.00 -0.03 0.00 0.00 56.01 52.18 1r9p n LEU 127 Cb 0.25 -0.14 -0.09 0.00 -2.33 0.00 0.00 43.42 41.12 1r9p n LEU 127 CO 0.00 1.38 0.62 -0.33 -1.33 0.00 0.00 177.39 177.73 1r9p h GLU 128 N 1.76 -0.79 -1.71 3.23 5.08 -1.92 -3.41 114.58 116.82 1r9p h GLU 128 Ca 0.05 0.05 -0.35 0.00 -1.00 0.00 0.00 59.36 58.11 1r9p h GLU 128 Cb 1.40 0.18 -0.28 0.00 0.50 0.00 0.00 28.75 30.56 1r9p h GLU 128 CO 0.31 -0.50 -0.71 -1.01 -1.00 0.00 0.00 179.01 176.10 1r9p s HIS 129 N -5.75 -0.35 -0.01 4.33 3.76 -1.26 -5.12 115.29 110.89 1r9p s HIS 129 Ca -0.17 -1.22 -0.30 0.00 -0.15 0.00 0.00 55.06 53.23 1r9p s HIS 129 Cb 0.03 -0.29 -0.04 0.00 1.11 0.00 0.00 32.58 33.39 1r9p s HIS 129 CO 0.59 -1.04 1.18 -1.01 -0.85 0.00 0.00 174.74 173.61 1r9p s HIS 130 N 0.77 3.32 -0.50 1.40 3.76 -1.26 -4.99 115.29 117.79 1r9p s HIS 130 Ca 0.27 1.29 -0.09 0.00 -0.15 0.00 0.00 55.06 56.38 1r9p s HIS 130 Cb -0.03 -3.39 0.13 0.00 1.11 0.00 0.00 32.58 30.40 1r9p s HIS 130 CO -0.10 -1.16 0.37 -1.58 -0.85 0.00 0.00 174.74 171.43 1r9p s HIS 131 N 1.72 3.44 0.00 1.40 2.46 -1.26 -5.07 115.29 117.97 1r9p s HIS 131 Ca 0.56 -1.92 0.00 0.00 0.47 0.00 0.00 55.06 54.18 1r9p s HIS 131 Cb -0.26 -3.51 0.00 0.00 -0.13 0.00 0.00 32.58 28.68 1r9p s HIS 131 CO 0.25 -0.99 0.00 -2.39 -2.47 0.00 0.00 174.74 169.14 1r9p n HIS 132 N 4.80 -3.03 -3.05 3.88 1.44 -1.26 -4.77 115.22 113.22 1r9p n HIS 132 Ca -0.06 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.65 1r9p n HIS 132 Cb 0.41 0.00 0.00 0.00 0.12 0.00 0.00 29.99 30.52 1r9p n HIS 132 CO 0.00 0.00 0.00 1.58 -2.81 0.00 0.00 176.34 175.11 1r9p n HIS 133 N -2.19 0.00 0.52 -1.40 -0.00 -1.26 -5.33 115.22 105.56 1r9p n HIS 133 Ca 0.00 0.00 0.04 0.00 -0.00 0.00 0.00 57.72 57.76 1r9p n HIS 133 Cb 0.00 0.02 0.25 0.00 -0.00 0.00 0.00 29.99 30.26 1r9p n HIS 133 CO 0.00 0.00 0.00 0.72 -0.00 0.00 0.00 176.34 177.06