#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 1.63 -2.13 3.04 0.00 -1.26 -4.99 120.51 116.80 1r9p n ALA 2 Ca 0.00 0.33 0.00 0.00 0.00 0.00 0.00 53.44 53.77 1r9p n ALA 2 Cb 0.00 -2.31 0.00 0.00 0.00 0.00 0.00 19.45 17.14 1r9p n ALA 2 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 1r9p n TYR 3 N 0.23 0.00 0.00 0.00 4.01 -1.26 -5.06 117.16 115.09 1r9p n TYR 3 Ca 0.04 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.78 1r9p n TYR 3 Cb 0.38 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.41 1r9p n TYR 3 CO 0.00 0.00 0.00 -1.13 -0.46 0.00 0.00 176.86 175.27 1r9p n SER 4 N 0.00 4.61 -4.08 7.72 3.41 -1.26 -5.05 113.62 118.97 1r9p n SER 4 Ca 0.00 0.00 -0.29 0.00 -0.26 0.00 0.00 58.87 58.32 1r9p n SER 4 Cb 0.00 0.68 0.17 0.00 -0.26 0.00 0.00 64.21 64.80 1r9p n SER 4 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1r9p n GLU 5 N -1.65 -1.85 -1.29 4.33 -0.58 -1.26 -4.73 120.64 113.60 1r9p n GLU 5 Ca 0.00 -0.53 0.13 0.00 -0.42 0.00 0.00 57.16 56.34 1r9p n GLU 5 Cb 0.24 -1.63 -0.07 0.00 -0.57 0.00 0.00 31.44 29.41 1r9p n GLU 5 CO 0.00 0.00 0.00 1.17 -0.48 0.00 0.00 177.13 177.82 1r9p n LYS 6 N -2.01 -3.06 0.00 3.49 4.81 -1.26 -5.06 118.16 115.06 1r9p n LYS 6 Ca 0.02 2.49 0.00 0.00 -0.87 0.00 0.00 58.31 59.95 1r9p n LYS 6 Cb 0.57 -3.48 0.00 0.00 0.02 0.00 0.00 35.03 32.15 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 -3.85 0.00 -2.73 3.15 0.31 -1.26 -5.09 118.33 108.86 1r9p n VAL 7 Ca -0.07 0.00 -0.09 0.00 -0.01 0.00 0.00 64.34 64.17 1r9p n VAL 7 Cb 0.58 0.00 0.07 0.00 -0.91 0.00 0.00 33.84 33.58 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 0.00 0.38 -3.73 2.52 5.41 -1.26 -5.07 119.36 117.62 1r9p n ILE 8 Ca 0.00 -2.38 -0.29 0.00 1.00 0.00 0.00 62.75 61.08 1r9p n ILE 8 Cb 0.00 0.81 -0.16 0.00 -0.71 0.00 0.00 39.64 39.58 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 -2.08 3.45 0.00 4.38 -1.08 -1.26 -4.81 116.67 115.27 1r9p s ASP 9 Ca 0.26 -1.19 0.00 0.00 -0.52 0.00 0.00 52.55 51.09 1r9p s ASP 9 Cb 0.41 -0.71 0.00 0.00 -1.46 0.00 0.00 42.92 41.16 1r9p s ASP 9 CO -0.03 -0.36 0.00 1.41 0.52 0.00 0.00 175.17 176.71 1r9p n HIS 10 N 4.97 0.00 -0.38 -5.34 8.25 -1.26 -4.99 115.22 116.46 1r9p n HIS 10 Ca -0.06 0.00 -0.01 0.00 -0.26 0.00 0.00 57.72 57.39 1r9p n HIS 10 Cb 0.45 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.56 1r9p n HIS 10 CO 0.00 0.00 0.00 0.66 0.64 0.00 0.00 176.34 177.64 1r9p n TYR 11 N 0.00 0.07 0.00 4.41 4.01 -1.26 -4.31 117.16 120.08 1r9p n TYR 11 Ca 0.00 -1.00 0.00 0.00 -0.16 0.00 0.00 57.90 56.74 1r9p n TYR 11 Cb 0.00 -0.50 0.00 0.00 -0.31 0.00 0.00 39.34 38.53 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 1.36 0.00 0.00 -0.72 1.02 -1.26 -5.09 120.64 115.95 1r9p n GLU 12 Ca 0.01 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.15 1r9p n GLU 12 Cb 0.51 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.93 1r9p n GLU 12 CO 0.00 0.00 0.00 -1.71 1.18 0.00 0.00 177.13 176.60 1r9p n ASN 13 N -1.31 0.00 -4.55 1.62 5.15 -1.26 -5.14 115.26 109.76 1r9p n ASN 13 Ca 0.00 0.00 -0.50 0.00 -0.60 0.00 0.00 54.58 53.48 1r9p n ASN 13 Cb 0.00 0.00 -0.05 0.00 -0.53 0.00 0.00 39.78 39.20 1r9p n ASN 13 CO 0.00 0.00 0.00 -2.65 1.40 0.00 0.00 177.26 176.01 1r9p n PRO 14 N 0.00 0.91 -3.77 1.20 -0.02 -1.26 -4.99 135.00 127.07 1r9p n PRO 14 Ca 0.00 0.32 -0.15 0.00 -2.02 0.00 0.00 63.50 61.65 1r9p n PRO 14 Cb 0.00 -1.80 -0.16 0.00 -0.02 0.00 0.00 33.50 31.52 1r9p n PRO 14 CO 0.00 0.00 0.00 0.50 1.98 0.00 0.00 175.50 177.98 1r9p s ARG 15 N -0.29 -0.03 0.05 -0.52 3.52 -1.26 -5.11 118.95 115.31 1r9p s ARG 15 Ca 0.76 0.20 -0.30 0.00 -0.13 0.00 0.00 55.73 56.26 1r9p s ARG 15 Cb -0.93 -0.28 -0.08 0.00 -1.56 0.00 0.00 34.95 32.10 1r9p s ARG 15 CO 0.53 -0.18 1.72 1.21 -0.81 0.00 0.00 175.30 177.77 1r9p s ASN 16 N 1.17 6.57 -0.03 -2.12 2.47 -1.26 -4.98 114.94 116.75 1r9p s ASN 16 Ca -0.08 2.50 0.06 0.00 0.42 0.00 0.00 52.86 55.76 1r9p s ASN 16 Cb -0.13 -2.55 -0.01 0.00 -1.45 0.00 0.00 41.25 37.11 1r9p s ASN 16 CO -0.03 -0.93 -0.21 0.68 -3.72 0.00 0.00 177.10 172.89 1r9p s VAL 17 N 3.23 1.68 0.00 -5.21 -7.23 -1.26 -5.08 120.40 106.53 1r9p s VAL 17 Ca 0.77 -0.89 0.00 0.00 -1.81 0.00 0.00 61.98 60.05 1r9p s VAL 17 Cb -0.40 -1.41 0.00 0.00 0.56 0.00 0.00 36.38 35.14 1r9p s VAL 17 CO 0.34 0.48 0.00 0.61 -0.31 0.00 0.00 175.10 176.21 1r9p n GLY 18 N 2.73 -0.10 1.40 2.32 0.00 -1.26 -5.10 105.19 105.19 1r9p n GLY 18 Ca -0.16 0.00 0.17 0.00 0.00 0.00 0.00 46.02 46.03 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 -0.36 -7.90 -3.26 1.61 3.41 -1.26 -4.80 113.62 101.07 1r9p n SER 19 Ca 0.00 1.12 -0.23 0.00 -0.26 0.00 0.00 58.87 59.50 1r9p n SER 19 Cb 0.00 -4.63 0.05 0.00 -0.26 0.00 0.00 64.21 59.37 1r9p n SER 19 CO 0.00 0.00 0.00 -0.11 -0.16 0.00 0.00 175.04 174.77 1r9p n LEU 20 N -4.21 -2.83 0.23 1.04 7.94 -1.26 -4.80 117.00 113.09 1r9p n LEU 20 Ca -0.06 -0.39 0.18 0.00 -1.11 0.00 0.00 56.01 54.63 1r9p n LEU 20 Cb 0.67 -2.93 0.82 0.00 0.53 0.00 0.00 43.42 42.50 1r9p n LEU 20 CO 0.03 0.37 1.15 -0.78 -1.11 0.00 0.00 177.39 177.05 1r9p h ASP 21 N -1.80 0.00 0.00 1.96 3.58 -1.87 -3.44 116.42 114.85 1r9p h ASP 21 Ca -0.54 0.00 0.00 0.00 0.42 0.00 0.00 57.03 56.91 1r9p h ASP 21 Cb 1.36 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.41 1r9p h ASP 21 CO 0.57 0.00 0.00 1.17 -2.88 0.00 0.00 179.24 178.10 1r9p n LYS 22 N -3.35 0.00 -0.20 0.28 4.81 -1.26 -4.62 118.16 113.81 1r9p n LYS 22 Ca 0.02 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.46 1r9p n LYS 22 Cb 0.44 -1.78 0.00 0.00 0.02 0.00 0.00 35.03 33.71 1r9p n LYS 22 CO 0.00 0.00 0.00 1.63 1.17 0.00 0.00 177.40 180.20 1r9p n LYS 23 N -2.00 0.00 0.00 1.64 5.02 -1.26 -4.77 118.16 116.79 1r9p n LYS 23 Ca 0.00 -0.70 0.00 0.00 -2.02 0.00 0.00 58.31 55.59 1r9p n LYS 23 Cb 0.00 -0.50 0.00 0.00 -0.02 0.00 0.00 35.03 34.51 1r9p n LYS 23 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 1r9p n ASP 24 N 0.00 0.00 -1.34 4.39 8.00 -1.26 -4.77 116.55 121.56 1r9p n ASP 24 Ca 0.00 0.00 -0.17 0.00 0.71 0.00 0.00 54.79 55.33 1r9p n ASP 24 Cb 0.58 0.00 -0.07 0.00 -0.02 0.00 0.00 41.12 41.61 1r9p n ASP 24 CO 0.00 0.00 0.00 -0.24 -0.39 0.00 0.00 177.20 176.57 1r9p n SER 25 N 0.00 -5.07 -3.17 -2.24 2.88 -1.26 -1.91 113.62 102.86 1r9p n SER 25 Ca 0.00 0.41 -0.22 0.00 -1.33 0.00 0.00 58.87 57.73 1r9p n SER 25 Cb 0.00 -4.08 0.06 0.00 -0.75 0.00 0.00 64.21 59.44 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 -0.79 -6.02 -4.38 -3.46 3.02 -1.26 -4.84 115.26 97.53 1r9p n ASN 26 Ca -0.17 -0.41 -0.33 0.00 -0.03 0.00 0.00 54.58 53.64 1r9p n ASN 26 Cb 0.57 -4.73 -0.14 0.00 -0.61 0.00 0.00 39.78 34.87 1r9p n ASN 26 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 1r9p s VAL 27 N -3.24 2.90 -0.23 2.41 1.01 -0.80 -1.96 120.40 120.49 1r9p s VAL 27 Ca 0.44 -0.74 0.02 0.00 0.00 0.00 0.00 61.98 61.70 1r9p s VAL 27 Cb -0.19 -2.17 0.05 0.00 0.00 0.00 0.00 36.38 34.06 1r9p s VAL 27 CO 0.55 0.55 -0.13 -0.83 0.00 0.00 0.00 175.10 175.23 1r9p s GLY 28 N -0.00 1.55 0.20 4.51 0.00 -0.40 -4.51 107.32 108.67 1r9p s GLY 28 Ca -0.05 -1.57 0.04 0.00 0.00 0.00 0.00 44.72 43.15 1r9p s GLY 28 CO 0.04 0.53 0.28 -1.59 0.00 0.00 0.00 173.10 172.36 1r9p s THR 29 N 1.18 5.05 -0.28 0.90 2.01 -1.26 -0.44 115.64 122.79 1r9p s THR 29 Ca -0.04 -0.96 -0.19 0.00 0.31 0.00 0.00 61.69 60.81 1r9p s THR 29 Cb -0.18 -3.67 0.08 0.00 0.01 0.00 0.00 72.50 68.75 1r9p s THR 29 CO -0.08 -0.22 0.71 -0.83 -0.69 0.00 0.00 174.62 173.52 1r9p s GLY 30 N -3.57 -0.59 -0.05 4.40 0.00 -0.17 -3.94 107.32 103.41 1r9p s GLY 30 Ca 0.34 2.34 -0.02 0.00 0.00 0.00 0.00 44.72 47.37 1r9p s GLY 30 CO 0.27 2.23 0.10 -0.29 0.00 0.00 0.00 173.10 175.41 1r9p s MET 31 N 1.27 -0.01 0.02 2.90 0.00 -1.26 -0.68 119.30 121.54 1r9p s MET 31 Ca -0.07 0.40 0.01 0.00 0.00 0.00 0.00 55.69 56.03 1r9p s MET 31 Cb -0.05 -0.34 -0.02 0.00 0.00 0.00 0.00 34.83 34.42 1r9p s MET 31 CO -0.14 -0.27 -0.04 0.14 0.00 0.00 0.00 175.02 174.71 1r9p s VAL 32 N 1.88 0.23 0.28 10.11 -7.23 -0.77 -4.99 120.40 119.90 1r9p s VAL 32 Ca -0.00 -0.88 0.02 0.00 -1.81 0.00 0.00 61.98 59.31 1r9p s VAL 32 Cb -0.12 -0.34 -0.05 0.00 0.56 0.00 0.00 36.38 36.42 1r9p s VAL 32 CO -0.04 -0.42 0.09 -0.83 -0.31 0.00 0.00 175.10 173.59 1r9p s GLY 33 N -1.36 1.83 0.06 2.32 0.00 -1.25 -1.15 107.32 107.76 1r9p s GLY 33 Ca -0.13 -1.90 0.07 0.00 0.00 0.00 0.00 44.72 42.76 1r9p s GLY 33 CO -0.01 -1.64 -0.20 0.00 0.00 0.00 0.00 173.10 171.25 1r9p s ALA 34 N -3.65 1.68 0.00 3.20 0.00 -0.73 -4.92 121.76 117.33 1r9p s ALA 34 Ca 0.37 -1.08 0.00 0.00 0.00 0.00 0.00 51.96 51.26 1r9p s ALA 34 Cb 0.08 -0.29 0.00 0.00 0.00 0.00 0.00 23.12 22.91 1r9p s ALA 34 CO 0.14 0.36 0.48 -0.35 0.00 0.00 0.00 175.76 176.39 1r9p n PRO 35 N 1.64 0.00 0.14 0.00 -0.04 -1.26 0.38 135.00 135.86 1r9p n PRO 35 Ca -0.18 0.41 0.03 0.00 -0.04 0.00 0.00 63.50 63.72 1r9p n PRO 35 Cb 0.54 -1.18 0.17 0.00 -0.04 0.00 0.00 33.50 32.99 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 -1.73 0.34 0.11 0.55 0.00 -1.26 0.20 120.51 118.72 1r9p n ALA 36 Ca 0.00 0.06 0.01 0.00 0.00 0.00 0.00 53.44 53.51 1r9p n ALA 36 Cb 0.00 -0.42 -0.02 0.00 0.00 0.00 0.00 19.45 19.01 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 1.34 -0.43 3.87 0.00 0.00 1.21 -4.86 105.19 106.33 1r9p n GLY 38 Ca 0.00 0.02 -0.32 0.00 0.00 0.00 0.00 46.02 45.73 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 -2.24 6.11 -0.38 1.61 2.15 -1.00 -4.87 116.67 118.05 1r9p s ASP 39 Ca 0.26 0.22 0.04 0.00 0.43 0.00 0.00 52.55 53.49 1r9p s ASP 39 Cb -0.15 -1.84 0.11 0.00 -0.30 0.00 0.00 42.92 40.74 1r9p s ASP 39 CO 0.31 0.21 0.11 -0.69 -0.17 0.00 0.00 175.17 174.94 1r9p s VAL 40 N -1.40 2.21 -0.26 1.11 1.01 -1.26 -1.78 120.40 120.04 1r9p s VAL 40 Ca 0.30 -2.52 -0.23 0.00 0.00 0.00 0.00 61.98 59.54 1r9p s VAL 40 Cb -0.13 -2.61 -0.01 0.00 0.00 0.00 0.00 36.38 33.63 1r9p s VAL 40 CO 0.23 -0.66 0.75 -0.32 0.00 0.00 0.00 175.10 175.09 1r9p s MET 41 N 0.65 4.13 -0.43 2.72 1.75 -0.30 -4.61 119.30 123.21 1r9p s MET 41 Ca 0.13 0.74 -0.07 0.00 -1.25 0.00 0.00 55.69 55.24 1r9p s MET 41 Cb -0.21 -3.66 0.11 0.00 2.84 0.00 0.00 34.83 33.91 1r9p s MET 41 CO -0.07 -0.50 0.27 -1.14 -0.65 0.00 0.00 175.02 172.93 1r9p s GLN 42 N 2.73 2.35 0.06 4.11 0.74 0.23 -1.85 119.66 128.02 1r9p s GLN 42 Ca 0.31 -1.70 0.03 0.00 0.05 0.00 0.00 55.36 54.05 1r9p s GLN 42 Cb -0.15 -3.76 -0.04 0.00 1.10 0.00 0.00 33.01 30.16 1r9p s GLN 42 CO 0.08 -1.08 0.04 -1.17 -0.55 0.00 0.00 175.29 172.61 1r9p s LEU 43 N 1.30 3.66 -0.04 3.68 2.96 0.15 -2.39 118.68 128.00 1r9p s LEU 43 Ca 0.06 -0.04 -0.01 0.00 -0.22 0.00 0.00 54.13 53.91 1r9p s LEU 43 Cb -0.24 -2.29 0.03 0.00 0.50 0.00 0.00 46.19 44.19 1r9p s LEU 43 CO -0.01 0.20 0.08 -1.10 -1.32 0.00 0.00 176.35 174.20 1r9p s GLN 44 N -2.14 0.03 -0.03 1.98 -0.21 -0.20 -1.00 119.66 118.10 1r9p s GLN 44 Ca 0.26 0.24 0.02 0.00 0.02 0.00 0.00 55.36 55.90 1r9p s GLN 44 Cb -0.12 -0.17 -0.03 0.00 1.00 0.00 0.00 33.01 33.69 1r9p s GLN 44 CO 0.18 -0.14 -0.08 0.96 -2.12 0.00 0.00 175.29 174.09 1r9p s ILE 45 N 0.91 3.58 0.09 1.08 -4.36 0.41 -0.60 121.20 122.31 1r9p s ILE 45 Ca -0.07 -0.65 0.07 0.00 -0.26 0.00 0.00 60.65 59.73 1r9p s ILE 45 Cb -0.10 -2.50 -0.04 0.00 1.25 0.00 0.00 42.46 41.07 1r9p s ILE 45 CO -0.04 0.50 -0.13 -0.75 0.24 0.00 0.00 174.94 174.76 1r9p s LYS 46 N -1.08 2.06 -0.11 0.37 2.20 -0.11 -1.27 119.74 121.80 1r9p s LYS 46 Ca 0.14 -1.03 0.02 0.00 -0.36 0.00 0.00 55.97 54.75 1r9p s LYS 46 Cb -0.11 -2.25 -0.01 0.00 -1.51 0.00 0.00 37.83 33.95 1r9p s LYS 46 CO 0.04 0.52 -0.20 0.08 -0.36 0.00 0.00 175.35 175.43 1r9p s VAL 47 N -1.12 2.45 -0.03 4.02 1.01 -0.83 -2.61 120.40 123.30 1r9p s VAL 47 Ca 0.19 -0.88 -0.22 0.00 0.00 0.00 0.00 61.98 61.07 1r9p s VAL 47 Cb -0.11 -1.98 -0.16 0.00 0.00 0.00 0.00 36.38 34.14 1r9p s VAL 47 CO 0.10 0.55 0.99 -0.78 0.00 0.00 0.00 175.10 175.96 1r9p h ASP 48 N 6.69 -0.24 0.00 3.32 1.82 -1.79 -3.46 116.42 122.76 1r9p h ASP 48 Ca -0.22 -0.28 0.00 0.00 -0.39 0.00 0.00 57.03 56.14 1r9p h ASP 48 Cb 1.23 0.06 0.00 0.00 0.68 0.00 0.00 39.33 41.30 1r9p h ASP 48 CO 0.50 0.24 0.00 0.47 -1.61 0.00 0.00 179.24 178.84 1r9p n ASP 49 N -5.00 0.00 -1.05 2.28 9.92 -1.26 -4.96 116.55 116.48 1r9p n ASP 49 Ca -0.08 0.00 0.08 0.00 -0.53 0.00 0.00 54.79 54.26 1r9p n ASP 49 Cb 0.26 0.00 0.24 0.00 -0.64 0.00 0.00 41.12 40.99 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 3.05 -0.01 -2.24 3.02 -1.26 -4.87 115.26 112.94 1r9p n ASN 50 Ca 0.00 -2.07 0.00 0.00 -0.03 0.00 0.00 54.58 52.48 1r9p n ASN 50 Cb 0.00 -0.39 0.00 0.00 -0.61 0.00 0.00 39.78 38.78 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 1.26 0.77 3.18 7.41 0.00 -1.26 -5.06 105.19 111.49 1r9p n GLY 51 Ca 0.18 -0.67 -0.26 0.00 0.00 0.00 0.00 46.02 45.27 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 -2.03 1.53 -0.57 -0.61 -1.09 -1.26 -4.22 121.20 112.95 1r9p s ILE 52 Ca 0.00 -0.81 -0.27 0.00 -2.23 0.00 0.00 60.65 57.34 1r9p s ILE 52 Cb 0.00 -1.29 -0.00 0.00 -1.58 0.00 0.00 42.46 39.59 1r9p s ILE 52 CO 0.00 0.43 1.63 -0.63 -1.23 0.00 0.00 174.94 175.15 1r9p s ILE 53 N -0.28 3.56 0.04 2.92 1.01 -0.99 -2.36 121.20 125.10 1r9p s ILE 53 Ca 0.03 0.43 -0.17 0.00 0.00 0.00 0.00 60.65 60.94 1r9p s ILE 53 Cb -0.09 -4.18 -0.22 0.00 0.01 0.00 0.00 42.46 37.97 1r9p s ILE 53 CO 0.00 -1.04 1.16 -0.08 0.00 0.00 0.00 174.94 174.98 1r9p h GLU 54 N 12.78 0.55 -3.96 2.79 4.22 -1.83 -2.71 114.58 126.42 1r9p h GLU 54 Ca -0.27 -0.56 -0.11 0.00 0.08 0.00 0.00 59.36 58.49 1r9p h GLU 54 Cb 1.13 0.15 -0.16 0.00 0.50 0.00 0.00 28.75 30.37 1r9p h GLU 54 CO 1.19 1.18 -0.54 -0.51 -2.18 0.00 0.00 179.01 178.15 1r9p s ASP 55 N -6.94 0.27 -0.07 1.04 1.01 -1.26 -4.73 116.67 105.98 1r9p s ASP 55 Ca -0.12 -0.72 -0.06 0.00 0.71 0.00 0.00 52.55 52.36 1r9p s ASP 55 Cb 0.05 0.25 0.02 0.00 1.01 0.00 0.00 42.92 44.25 1r9p s ASP 55 CO 0.86 -0.60 0.18 0.00 0.21 0.00 0.00 175.17 175.83 1r9p s ALA 56 N -3.38 -0.43 -0.07 5.23 0.00 -1.26 -0.94 121.76 120.91 1r9p s ALA 56 Ca 0.02 0.60 -0.02 0.00 0.00 0.00 0.00 51.96 52.55 1r9p s ALA 56 Cb 0.03 -0.36 -0.04 0.00 0.00 0.00 0.00 23.12 22.76 1r9p s ALA 56 CO -0.08 -0.11 0.04 0.15 0.00 0.00 0.00 175.76 175.76 1r9p s LYS 57 N 0.41 3.04 0.27 0.00 -0.14 0.23 -4.95 119.74 118.60 1r9p s LYS 57 Ca -0.03 -0.40 0.08 0.00 -1.36 0.00 0.00 55.97 54.26 1r9p s LYS 57 Cb -0.04 -2.85 -0.06 0.00 -1.68 0.00 0.00 37.83 33.21 1r9p s LYS 57 CO -0.02 0.70 -0.10 -0.59 -0.76 0.00 0.00 175.35 174.58 1r9p s PHE 58 N -0.99 1.98 -0.30 3.18 -0.71 -1.26 -1.03 117.98 118.86 1r9p s PHE 58 Ca 0.16 -0.61 -0.11 0.00 -1.04 0.00 0.00 56.93 55.33 1r9p s PHE 58 Cb -0.12 -1.06 0.18 0.00 -1.21 0.00 0.00 43.02 40.81 1r9p s PHE 58 CO 0.06 0.38 0.99 0.21 -1.34 0.00 0.00 175.22 175.52 1r9p s LYS 59 N -3.67 0.23 -0.30 1.99 2.20 -1.01 -4.96 119.74 114.23 1r9p s LYS 59 Ca 0.28 0.39 -0.10 0.00 -0.36 0.00 0.00 55.97 56.18 1r9p s LYS 59 Cb 0.02 0.22 0.14 0.00 -1.51 0.00 0.00 37.83 36.69 1r9p s LYS 59 CO 0.12 -0.27 0.68 -0.08 -0.36 0.00 0.00 175.35 175.44 1r9p s THR 60 N 2.94 -0.95 -0.27 3.43 -1.32 -1.26 -0.60 115.64 117.61 1r9p s THR 60 Ca 0.04 0.00 -0.01 0.00 -1.21 0.00 0.00 61.69 60.51 1r9p s THR 60 Cb -0.10 -1.00 0.14 0.00 -1.51 0.00 0.00 72.50 70.03 1r9p s THR 60 CO -0.13 0.00 0.34 -0.47 -2.21 0.00 0.00 174.62 172.15 1r9p s TYR 61 N 2.85 -0.71 0.00 9.09 5.04 -1.26 -4.92 117.35 127.44 1r9p s TYR 61 Ca -0.05 0.28 0.00 0.00 -2.44 0.00 0.00 57.07 54.86 1r9p s TYR 61 Cb -0.11 -0.23 0.00 0.00 0.35 0.00 0.00 41.96 41.96 1r9p s TYR 61 CO -0.19 -0.86 0.00 0.41 -1.34 0.00 0.00 175.55 173.57 1r9p n GLY 62 N 5.34 0.00 2.95 8.97 0.00 -1.26 -4.90 105.19 116.29 1r9p n GLY 62 Ca -0.02 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.71 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 4.80 -2.65 5.00 0.00 0.00 -1.26 -3.37 105.19 107.71 1r9p n GLY 64 Ca -0.14 -1.18 0.00 0.00 0.00 0.00 0.00 46.02 44.70 1r9p n GLY 64 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1r9p n SER 65 N -4.08 0.00 0.07 1.61 2.88 -1.26 -4.18 113.62 108.65 1r9p n SER 65 Ca 0.04 0.00 0.12 0.00 -1.33 0.00 0.00 58.87 57.70 1r9p n SER 65 Cb 0.56 0.00 0.19 0.00 -0.75 0.00 0.00 64.21 64.21 1r9p n SER 65 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1r9p n ALA 66 N 0.00 0.43 0.00 -1.46 0.00 -1.22 0.63 120.51 118.90 1r9p n ALA 66 Ca 0.00 0.15 0.00 0.00 0.00 0.00 0.00 53.44 53.59 1r9p n ALA 66 Cb 0.00 -0.26 0.00 0.00 0.00 0.00 0.00 19.45 19.19 1r9p n ALA 66 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.50 176.61 1r9p n ILE 67 N -2.69 0.00 -0.07 0.00 5.41 -1.24 -0.79 119.36 119.98 1r9p n ILE 67 Ca 0.10 0.00 -0.08 0.00 1.00 0.00 0.00 62.75 63.77 1r9p n ILE 67 Cb 1.15 -0.86 -0.10 0.00 -0.71 0.00 0.00 39.64 39.13 1r9p n ILE 67 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1r9p n ALA 68 N -0.82 1.66 -0.16 -1.39 0.00 0.21 -4.42 120.51 115.58 1r9p n ALA 68 Ca 0.00 -0.86 -0.06 0.00 0.00 0.00 0.00 53.44 52.52 1r9p n ALA 68 Cb 0.00 -0.01 0.03 0.00 0.00 0.00 0.00 19.45 19.47 1r9p n ALA 68 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 1r9p h SER 69 N 0.00 0.45 0.22 0.00 4.64 -1.15 -2.48 113.55 115.23 1r9p h SER 69 Ca -0.37 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 60.95 1r9p h SER 69 Cb 1.78 -0.09 -0.02 0.00 -0.31 0.00 0.00 62.40 63.76 1r9p h SER 69 CO 0.00 0.32 -0.29 0.77 -0.87 0.00 0.00 176.83 176.76 1r9p h SER 70 N 0.56 -0.83 -0.94 4.97 4.64 -1.79 -0.76 113.55 119.40 1r9p h SER 70 Ca 0.19 0.07 0.26 0.00 -0.47 0.00 0.00 61.79 61.85 1r9p h SER 70 Cb 0.02 0.28 -0.17 0.00 -0.31 0.00 0.00 62.40 62.23 1r9p h SER 70 CO -0.09 -0.36 0.12 0.28 -0.87 0.00 0.00 176.83 175.91 1r9p h SER 71 N -0.53 -0.28 0.00 4.97 0.02 -1.75 0.20 113.55 116.19 1r9p h SER 71 Ca -0.03 0.25 0.00 0.00 -0.84 0.00 0.00 61.79 61.17 1r9p h SER 71 Cb 0.48 0.40 0.00 0.00 0.14 0.00 0.00 62.40 63.42 1r9p h SER 71 CO -0.08 -0.29 0.00 -0.11 -1.14 0.00 0.00 176.83 175.21 1r9p n LEU 72 N -5.39 0.45 -0.26 5.07 7.94 -0.78 -1.00 117.00 123.03 1r9p n LEU 72 Ca 0.23 0.20 0.01 0.00 -1.11 0.00 0.00 56.01 55.34 1r9p n LEU 72 Cb 0.75 0.00 0.05 0.00 0.53 0.00 0.00 43.42 44.75 1r9p n LEU 72 CO -0.02 0.00 0.42 0.00 -1.11 0.00 0.00 177.39 176.68 1r9p n ILE 73 N -0.28 -0.33 -0.25 1.96 3.06 -0.36 0.30 119.36 123.46 1r9p n ILE 73 Ca 0.00 1.59 0.03 0.00 -2.50 0.00 0.00 62.75 61.87 1r9p n ILE 73 Cb 0.00 -2.14 0.16 0.00 0.54 0.00 0.00 39.64 38.20 1r9p n ILE 73 CO 0.00 0.00 0.00 0.71 -2.50 0.00 0.00 176.55 174.76 1r9p h THR 74 N 0.00 0.76 0.00 9.51 1.35 -0.68 0.90 112.91 124.75 1r9p h THR 74 Ca 0.27 -0.18 0.00 0.00 -0.55 0.00 0.00 66.41 65.95 1r9p h THR 74 Cb 0.44 0.19 0.00 0.00 -1.73 0.00 0.00 68.15 67.05 1r9p h THR 74 CO -0.69 0.10 0.00 1.21 -0.25 0.00 0.00 175.52 175.89 1r9p n GLU 75 N -4.93 0.95 -0.01 4.72 0.00 0.89 -2.71 120.64 119.55 1r9p n GLU 75 Ca 0.12 0.00 0.07 0.00 0.00 0.00 0.00 57.16 57.36 1r9p n GLU 75 Cb 0.34 -1.39 -0.11 0.00 0.00 0.00 0.00 31.44 30.28 1r9p n GLU 75 CO 0.00 0.00 0.00 1.87 0.00 0.00 0.00 177.13 179.00 1r9p n TRP 76 N -0.89 0.00 -0.07 4.31 -0.00 0.29 -4.51 117.44 116.58 1r9p n TRP 76 Ca 0.18 0.00 -0.06 0.00 -0.00 0.00 0.00 57.50 57.62 1r9p n TRP 76 Cb 0.08 -0.26 -0.15 0.00 -0.00 0.00 0.00 31.31 30.97 1r9p n TRP 76 CO 0.00 0.00 0.00 1.33 -0.00 0.00 0.00 177.69 179.02 1r9p n VAL 77 N -1.87 1.20 -1.98 5.87 0.24 -0.05 -4.59 118.33 117.14 1r9p n VAL 77 Ca -0.02 -0.79 -0.42 0.00 -2.04 0.00 0.00 64.34 61.08 1r9p n VAL 77 Cb 0.35 -0.48 -0.03 0.00 -1.47 0.00 0.00 33.84 32.20 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 -2.69 4.23 0.00 7.34 2.20 -1.10 -1.44 119.74 128.27 1r9p s LYS 78 Ca -0.08 2.30 0.00 0.00 -0.36 0.00 0.00 55.97 57.82 1r9p s LYS 78 Cb 0.08 -3.32 0.00 0.00 -1.51 0.00 0.00 37.83 33.08 1r9p s LYS 78 CO 0.84 -0.62 0.00 0.41 -0.36 0.00 0.00 175.35 175.62 1r9p n GLY 79 N 3.79 3.17 3.94 5.54 0.00 -1.02 -5.00 105.19 115.61 1r9p n GLY 79 Ca 0.14 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.92 1r9p n GLY 79 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1r9p s LYS 80 N -0.38 3.03 0.34 1.61 1.02 -0.52 -4.79 119.74 120.06 1r9p s LYS 80 Ca 0.00 -0.37 0.04 0.00 0.02 0.00 0.00 55.97 55.66 1r9p s LYS 80 Cb 0.00 -2.49 0.06 0.00 -0.52 0.00 0.00 37.83 34.88 1r9p s LYS 80 CO 0.00 -0.38 0.48 -1.13 -0.92 0.00 0.00 175.35 173.40 1r9p n SER 81 N -2.20 1.07 0.15 2.83 3.41 -1.26 -2.34 113.62 115.27 1r9p n SER 81 Ca 0.02 -1.80 0.02 0.00 -0.26 0.00 0.00 58.87 56.85 1r9p n SER 81 Cb 0.58 -0.27 0.17 0.00 -0.26 0.00 0.00 64.21 64.43 1r9p n SER 81 CO 0.00 0.00 0.00 -0.07 -0.16 0.00 0.00 175.04 174.81 1r9p h LEU 82 N 0.00 0.00 -2.59 1.04 3.38 -1.96 -2.72 115.31 112.46 1r9p h LEU 82 Ca -0.16 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.81 1r9p h LEU 82 Cb 0.69 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.44 1r9p h LEU 82 CO 0.21 0.54 -0.01 -0.33 0.09 0.00 0.00 178.44 178.95 1r9p h GLU 83 N 0.00 0.00 0.05 1.13 5.08 -1.94 0.28 114.58 119.17 1r9p h GLU 83 Ca -0.01 0.00 -0.38 0.00 -1.00 0.00 0.00 59.36 57.98 1r9p h GLU 83 Cb 1.17 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 30.37 1r9p h GLU 83 CO 0.07 0.01 -2.23 0.39 -1.00 0.00 0.00 179.01 176.25 1r9p n GLU 84 N -3.16 0.68 -0.08 2.33 4.71 -1.09 -3.72 120.64 120.31 1r9p n GLU 84 Ca -0.02 0.23 0.04 0.00 -0.01 0.00 0.00 57.16 57.40 1r9p n GLU 84 Cb 0.13 -1.60 0.15 0.00 -1.01 0.00 0.00 31.44 29.11 1r9p n GLU 84 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 1r9p n ALA 85 N -3.27 2.49 -0.06 0.62 0.00 -1.02 -3.02 120.51 116.25 1r9p n ALA 85 Ca -0.41 -0.30 -0.10 0.00 0.00 0.00 0.00 53.44 52.63 1r9p n ALA 85 Cb 0.98 -1.03 -0.03 0.00 0.00 0.00 0.00 19.45 19.37 1r9p n ALA 85 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1r9p n GLY 86 N 0.81 -0.38 0.00 0.00 0.00 0.94 -4.44 105.19 102.11 1r9p n GLY 86 Ca 0.07 -0.21 0.09 0.00 0.00 0.00 0.00 46.02 45.98 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 -4.12 2.06 -0.51 4.61 0.00 -1.24 -4.80 120.51 116.51 1r9p n ALA 87 Ca -0.17 -0.10 -0.29 0.00 0.00 0.00 0.00 53.44 52.88 1r9p n ALA 87 Cb 0.47 -1.31 0.25 0.00 0.00 0.00 0.00 19.45 18.85 1r9p n ALA 87 CO 0.00 0.00 0.00 1.51 0.00 0.00 0.00 177.50 179.01 1r9p n ILE 88 N -1.22 0.00 -3.65 0.00 3.06 -1.17 -5.04 119.36 111.35 1r9p n ILE 88 Ca 0.10 -0.42 -0.06 0.00 -2.50 0.00 0.00 62.75 59.87 1r9p n ILE 88 Cb 0.13 -0.95 -0.00 0.00 0.54 0.00 0.00 39.64 39.36 1r9p n ILE 88 CO 0.00 0.00 0.00 2.29 -2.50 0.00 0.00 176.55 176.34 1r9p n LYS 89 N -4.59 0.47 0.00 9.51 2.85 -1.26 -5.03 118.16 120.11 1r9p n LYS 89 Ca 0.03 -1.35 0.12 0.00 -1.05 0.00 0.00 58.31 56.06 1r9p n LYS 89 Cb 0.55 1.45 0.15 0.00 -0.65 0.00 0.00 35.03 36.53 1r9p n LYS 89 CO 0.00 0.00 0.00 0.27 -0.05 0.00 0.00 177.40 177.62 1r9p n ASN 90 N -1.60 1.27 -0.02 -5.58 6.94 -1.26 -4.09 115.26 110.91 1r9p n ASN 90 Ca -0.02 -1.01 -0.16 0.00 -0.02 0.00 0.00 54.58 53.37 1r9p n ASN 90 Cb 0.31 0.41 -0.09 0.00 -2.36 0.00 0.00 39.78 38.05 1r9p n ASN 90 CO 0.00 0.00 0.00 -1.28 -1.03 0.00 0.00 177.26 174.95 1r9p h SER 91 N 1.22 0.56 0.68 0.53 0.87 -1.96 -2.41 113.55 113.03 1r9p h SER 91 Ca 0.00 -0.66 -0.03 0.00 -1.23 0.00 0.00 61.79 59.86 1r9p h SER 91 Cb 0.59 -0.17 0.01 0.00 -0.44 0.00 0.00 62.40 62.39 1r9p h SER 91 CO 0.00 1.13 -0.32 1.56 -0.53 0.00 0.00 176.83 178.67 1r9p h GLN 92 N 0.02 -0.87 -0.96 2.24 1.08 -1.99 0.73 115.11 115.36 1r9p h GLN 92 Ca -0.04 0.06 0.25 0.00 -1.45 0.00 0.00 58.65 57.48 1r9p h GLN 92 Cb 1.13 0.20 -0.13 0.00 -0.05 0.00 0.00 27.48 28.63 1r9p h GLN 92 CO 0.10 -0.58 0.49 0.82 -0.95 0.00 0.00 178.83 178.71 1r9p h ILE 93 N -1.24 0.44 -0.17 2.54 2.04 -1.71 0.15 117.51 119.57 1r9p h ILE 93 Ca -0.09 -0.15 -0.04 0.00 1.00 0.00 0.00 64.86 65.58 1r9p h ILE 93 Cb 0.70 -0.03 -0.00 0.00 -0.74 0.00 0.00 36.82 36.75 1r9p h ILE 93 CO 0.15 0.08 -0.07 0.00 0.00 0.00 0.00 178.15 178.32 1r9p h ALA 94 N 1.75 0.23 -0.33 1.87 0.00 -1.31 -2.12 119.26 119.36 1r9p h ALA 94 Ca 0.63 -0.26 0.10 0.00 0.00 0.00 0.00 54.91 55.37 1r9p h ALA 94 Cb 1.26 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.98 1r9p h ALA 94 CO -0.54 0.02 0.36 1.49 0.00 0.00 0.00 179.25 180.59 1r9p h GLU 95 N 0.02 0.00 0.00 0.00 4.81 0.17 3.64 114.58 123.22 1r9p h GLU 95 Ca 0.04 0.00 -0.03 0.00 -0.13 0.00 0.00 59.36 59.24 1r9p h GLU 95 Cb 0.53 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 29.90 1r9p h GLU 95 CO 0.02 0.00 -0.17 1.49 -0.73 0.00 0.00 179.01 179.63 1r9p h GLU 96 N 0.00 0.00 0.00 1.92 4.81 -0.89 -3.33 114.58 117.09 1r9p h GLU 96 Ca 0.16 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.39 1r9p h GLU 96 Cb 0.88 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.26 1r9p h GLU 96 CO -0.00 0.78 -0.15 -0.07 -0.73 0.00 0.00 179.01 178.84 1r9p h LEU 97 N -1.00 0.00 0.43 1.64 3.38 -0.69 -3.46 115.31 115.61 1r9p h LEU 97 Ca -0.04 -0.04 -0.03 0.00 0.09 0.00 0.00 57.88 57.86 1r9p h LEU 97 Cb 0.83 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.57 1r9p h LEU 97 CO -0.02 0.02 -0.03 -0.62 0.09 0.00 0.00 178.44 177.88 1r9p n GLU 98 N -2.39 -1.60 -1.25 1.13 -0.58 1.20 -4.77 120.64 112.38 1r9p n GLU 98 Ca 0.05 0.14 -0.39 0.00 -0.42 0.00 0.00 57.16 56.54 1r9p n GLU 98 Cb 0.45 -3.50 0.01 0.00 -0.57 0.00 0.00 31.44 27.83 1r9p n GLU 98 CO 0.00 0.00 0.00 1.47 -0.48 0.00 0.00 177.13 178.12 1r9p n LEU 99 N -0.53 -3.64 -4.05 -4.62 -0.00 -1.26 -4.80 117.00 98.10 1r9p n LEU 99 Ca -0.02 0.66 -0.36 0.00 -0.00 0.00 0.00 56.01 56.29 1r9p n LEU 99 Cb 0.10 -0.85 0.05 0.00 -0.00 0.00 0.00 43.42 42.72 1r9p n LEU 99 CO 0.02 -4.77 -1.41 -2.65 -0.00 0.00 0.00 177.39 168.58 1r9p n PRO 100 N 1.50 -0.09 -0.05 1.47 -0.02 -1.26 -4.84 135.00 131.71 1r9p n PRO 100 Ca 0.08 -0.02 -0.14 0.00 -2.02 0.00 0.00 63.50 61.40 1r9p n PRO 100 Cb 0.47 -1.10 -0.12 0.00 -0.02 0.00 0.00 33.50 32.73 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 -1.09 0.03 -1.19 0.52 0.13 -2.03 -3.25 132.00 125.12 1r9p h PRO 101 Ca -0.43 -0.03 0.00 0.00 -0.87 0.00 0.00 66.00 64.66 1r9p h PRO 101 Cb 1.33 0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.47 1r9p h PRO 101 CO 0.24 0.84 0.00 1.33 -0.23 0.00 0.00 178.00 180.18 1r9p n VAL 102 N -4.66 0.49 -1.17 1.56 0.24 -1.26 -2.22 118.33 111.32 1r9p n VAL 102 Ca -0.10 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.20 1r9p n VAL 102 Cb 0.42 -0.71 0.00 0.00 -1.47 0.00 0.00 33.84 32.09 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 0.56 0.00 0.04 7.34 5.02 -1.23 -4.81 118.16 125.08 1r9p n LYS 103 Ca 0.00 -0.29 0.08 0.00 -2.02 0.00 0.00 58.31 56.08 1r9p n LYS 103 Cb 0.28 -0.41 0.35 0.00 -0.02 0.00 0.00 35.03 35.23 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 0.00 1.03 -0.24 -0.18 3.14 -0.94 -3.48 118.33 117.66 1r9p n VAL 104 Ca 0.00 0.28 -0.09 0.00 -2.96 0.00 0.00 64.34 61.57 1r9p n VAL 104 Cb 0.42 -1.11 -0.05 0.00 -1.06 0.00 0.00 33.84 32.05 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 -1.42 -0.70 1.45 2.07 -1.87 0.86 115.15 115.54 1r9p h HIS 105 Ca 0.00 0.09 0.10 0.00 -2.85 0.00 0.00 60.37 57.71 1r9p h HIS 105 Cb 0.25 0.71 -0.05 0.00 2.57 0.00 0.00 27.41 30.90 1r9p h HIS 105 CO 0.00 -0.43 0.47 0.00 -3.07 0.00 0.00 177.93 174.90 1r9p h SER 107 N 0.56 -0.26 -0.67 0.00 4.64 0.51 -1.30 113.55 117.04 1r9p h SER 107 Ca 0.33 0.04 0.03 0.00 -0.47 0.00 0.00 61.79 61.71 1r9p h SER 107 Cb 0.52 0.11 -0.04 0.00 -0.31 0.00 0.00 62.40 62.68 1r9p h SER 107 CO -0.11 -0.13 0.44 0.40 -0.87 0.00 0.00 176.83 176.56 1r9p h ILE 108 N -0.15 1.12 -0.78 0.95 2.04 -0.29 -0.90 117.51 119.49 1r9p h ILE 108 Ca 0.04 -0.29 0.01 0.00 1.00 0.00 0.00 64.86 65.62 1r9p h ILE 108 Cb 0.20 0.21 -0.04 0.00 -0.74 0.00 0.00 36.82 36.45 1r9p h ILE 108 CO -0.10 0.15 0.52 0.25 0.00 0.00 0.00 178.15 178.97 1r9p h LEU 109 N 0.83 0.89 0.10 1.44 5.85 -0.69 0.17 115.31 123.91 1r9p h LEU 109 Ca 0.26 -0.02 -0.00 0.00 0.84 0.00 0.00 57.88 58.96 1r9p h LEU 109 Cb 0.02 -0.22 0.00 0.00 0.37 0.00 0.00 40.66 40.83 1r9p h LEU 109 CO -0.07 0.64 -0.05 0.00 -0.34 0.00 0.00 178.44 178.62 1r9p h ALA 110 N 1.52 -0.13 0.31 1.25 0.00 -0.32 -0.96 119.26 120.92 1r9p h ALA 110 Ca 0.29 -0.11 -0.02 0.00 0.00 0.00 0.00 54.91 55.07 1r9p h ALA 110 Cb -0.10 0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.74 1r9p h ALA 110 CO -0.07 -0.48 -0.15 1.49 0.00 0.00 0.00 179.25 180.05 1r9p h GLU 111 N -0.33 -0.40 -0.96 0.00 4.22 -1.16 -2.57 114.58 113.39 1r9p h GLU 111 Ca -0.01 0.03 0.23 0.00 0.08 0.00 0.00 59.36 59.68 1r9p h GLU 111 Cb 0.27 0.09 -0.12 0.00 0.50 0.00 0.00 28.75 29.49 1r9p h GLU 111 CO 0.02 -0.16 0.52 -0.44 -2.18 0.00 0.00 179.01 176.77 1r9p h ASP 112 N -0.58 0.57 0.55 1.04 3.32 -0.67 -0.78 116.42 119.87 1r9p h ASP 112 Ca -0.04 0.14 -0.02 0.00 0.02 0.00 0.00 57.03 57.12 1r9p h ASP 112 Cb 0.42 0.05 -0.01 0.00 0.22 0.00 0.00 39.33 40.02 1r9p h ASP 112 CO 0.07 0.10 -0.38 0.00 -1.72 0.00 0.00 179.24 177.31 1r9p h ALA 113 N 1.71 -0.92 -1.20 3.45 0.00 -0.81 -1.03 119.26 120.45 1r9p h ALA 113 Ca 0.60 -0.17 0.34 0.00 0.00 0.00 0.00 54.91 55.68 1r9p h ALA 113 Cb 1.11 0.49 -0.08 0.00 0.00 0.00 0.00 17.79 19.30 1r9p h ALA 113 CO -0.48 -1.04 0.81 0.97 0.00 0.00 0.00 179.25 179.52 1r9p h ILE 114 N -0.89 0.38 0.00 0.00 6.09 -0.78 -1.43 117.51 120.88 1r9p h ILE 114 Ca -0.06 -0.06 0.00 0.00 -1.37 0.00 0.00 64.86 63.37 1r9p h ILE 114 Cb 0.74 0.19 0.00 0.00 0.47 0.00 0.00 36.82 38.22 1r9p h ILE 114 CO 0.04 0.03 0.00 1.17 -3.07 0.00 0.00 178.15 176.32 1r9p n LYS 115 N -4.44 0.00 -0.31 2.19 4.81 -0.46 -2.32 118.16 117.63 1r9p n LYS 115 Ca 0.29 0.43 0.18 0.00 -0.87 0.00 0.00 58.31 58.34 1r9p n LYS 115 Cb 1.18 -1.25 0.34 0.00 0.02 0.00 0.00 35.03 35.32 1r9p n LYS 115 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1r9p n ALA 116 N -1.80 0.59 0.04 3.14 0.00 -0.81 0.79 120.51 122.47 1r9p n ALA 116 Ca 0.00 0.98 -0.11 0.00 0.00 0.00 0.00 53.44 54.30 1r9p n ALA 116 Cb 0.00 -0.78 -0.04 0.00 0.00 0.00 0.00 19.45 18.63 1r9p n ALA 116 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1r9p h ALA 117 N 1.84 -0.36 -0.76 0.00 0.00 -1.27 0.62 119.26 119.32 1r9p h ALA 117 Ca 0.61 0.00 0.14 0.00 0.00 0.00 0.00 54.91 55.67 1r9p h ALA 117 Cb 1.38 0.50 -0.05 0.00 0.00 0.00 0.00 17.79 19.62 1r9p h ALA 117 CO -0.83 -0.77 0.51 0.82 0.00 0.00 0.00 179.25 178.98 1r9p h ILE 118 N -0.40 0.82 0.46 0.00 2.04 0.79 -0.68 117.51 120.53 1r9p h ILE 118 Ca 0.07 -0.16 -0.02 0.00 1.00 0.00 0.00 64.86 65.75 1r9p h ILE 118 Cb 0.51 0.31 0.00 0.00 -0.74 0.00 0.00 36.82 36.90 1r9p h ILE 118 CO -0.26 0.09 -0.22 0.00 0.00 0.00 0.00 178.15 177.75 1r9p h ALA 119 N 1.64 -0.62 -0.23 1.87 0.00 -0.19 0.65 119.26 122.38 1r9p h ALA 119 Ca 0.37 -0.19 0.07 0.00 0.00 0.00 0.00 54.91 55.16 1r9p h ALA 119 Cb 0.79 0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.81 1r9p h ALA 119 CO -0.13 -0.67 0.28 0.22 0.00 0.00 0.00 179.25 178.95 1r9p h ASP 120 N -0.97 0.00 0.00 0.00 3.58 -0.46 0.39 116.42 118.96 1r9p h ASP 120 Ca -0.06 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.39 1r9p h ASP 120 Cb 0.58 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.63 1r9p h ASP 120 CO 0.10 0.00 -0.00 0.22 -2.88 0.00 0.00 179.24 176.68 1r9p h TYR 121 N 0.00 0.00 -0.52 0.28 3.20 -0.82 -3.30 116.97 115.80 1r9p h TYR 121 Ca 0.11 0.00 0.15 0.00 3.14 0.00 0.00 58.73 62.13 1r9p h TYR 121 Cb 0.67 0.00 -0.02 0.00 1.54 0.00 0.00 36.73 38.91 1r9p h TYR 121 CO 0.00 0.00 0.74 -0.22 -1.64 0.00 0.00 178.16 177.04 1r9p h LYS 122 N -0.06 0.00 0.00 1.82 3.11 -0.74 1.28 116.57 121.99 1r9p h LYS 122 Ca 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 60.65 57.84 1r9p h LYS 122 Cb 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 32.23 31.23 1r9p h LYS 122 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 179.45 176.64 1r9p n ALA 123 N -2.16 1.20 0.06 5.00 0.00 0.11 -2.38 120.51 122.35 1r9p n ALA 123 Ca 0.11 0.03 0.21 0.00 0.00 0.00 0.00 53.44 53.79 1r9p n ALA 123 Cb 0.93 -1.13 0.68 0.00 0.00 0.00 0.00 19.45 19.92 1r9p n ALA 123 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 177.50 179.07 1r9p h LYS 124 N 0.00 0.00 -0.49 0.00 2.10 0.15 -3.33 116.57 115.00 1r9p h LYS 124 Ca 0.00 0.00 -0.01 0.00 -2.00 0.00 0.00 60.65 58.64 1r9p h LYS 124 Cb 0.08 0.00 -0.16 0.00 -0.90 0.00 0.00 32.23 31.25 1r9p h LYS 124 CO 0.00 0.00 -0.25 -1.14 -2.00 0.00 0.00 179.45 176.06 1r9p s GLN 125 N -4.51 0.48 0.00 0.07 0.74 -1.00 -4.98 119.66 110.45 1r9p s GLN 125 Ca -0.04 -0.37 0.00 0.00 0.05 0.00 0.00 55.36 55.00 1r9p s GLN 125 Cb 0.14 0.00 0.00 0.00 1.10 0.00 0.00 33.01 34.26 1r9p s GLN 125 CO 0.49 -0.63 0.17 0.41 -0.55 0.00 0.00 175.29 175.19 1r9p n GLY 126 N 3.19 0.41 2.30 2.59 0.00 -1.25 -4.64 105.19 107.79 1r9p n GLY 126 Ca 0.11 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 46.01 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 0.27 -1.13 0.00 0.99 4.32 -1.26 -4.86 117.00 115.32 1r9p n LEU 127 Ca 0.00 0.18 0.00 0.00 -0.02 0.00 0.00 56.01 56.17 1r9p n LEU 127 Cb 0.07 -1.88 0.00 0.00 -1.62 0.00 0.00 43.42 40.00 1r9p n LEU 127 CO 0.00 -0.44 0.00 1.21 -1.22 0.00 0.00 177.39 176.94 1r9p n GLU 128 N -2.46 0.00 -1.32 3.23 4.07 -1.26 -5.12 120.64 117.77 1r9p n GLU 128 Ca -0.13 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 56.97 1r9p n GLU 128 Cb 0.48 0.00 0.00 0.00 -0.06 0.00 0.00 31.44 31.86 1r9p n GLU 128 CO 0.00 0.00 0.00 1.58 -0.06 0.00 0.00 177.13 178.65 1r9p n HIS 129 N 0.00 0.00 -1.84 4.31 -0.00 -1.26 -5.04 115.22 111.39 1r9p n HIS 129 Ca 0.00 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.18 1r9p n HIS 129 Cb 0.00 -1.32 0.00 0.00 -0.12 0.00 0.00 29.99 28.55 1r9p n HIS 129 CO 0.00 0.00 0.00 0.72 0.46 0.00 0.00 176.34 177.52 1r9p n HIS 130 N -0.09 0.00 -3.08 1.57 -0.00 -1.26 -4.99 115.22 107.36 1r9p n HIS 130 Ca 0.00 0.00 -0.23 0.00 -0.00 0.00 0.00 57.72 57.49 1r9p n HIS 130 Cb 0.00 0.15 0.03 0.00 -0.00 0.00 0.00 29.99 30.17 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 0.00 -1.99 -4.46 4.41 -0.00 -1.26 -4.97 115.22 106.96 1r9p n HIS 131 Ca 0.00 0.53 -0.33 0.00 -0.00 0.00 0.00 57.72 57.92 1r9p n HIS 131 Cb 0.46 -4.35 -0.16 0.00 -0.00 0.00 0.00 29.99 25.94 1r9p n HIS 131 CO 0.00 0.00 0.00 -1.58 -0.00 0.00 0.00 176.34 174.76 1r9p s HIS 132 N -3.16 2.77 0.26 1.57 5.04 -1.26 -5.10 115.29 115.41 1r9p s HIS 132 Ca 0.33 -1.18 -0.29 0.00 -1.54 0.00 0.00 55.06 52.37 1r9p s HIS 132 Cb -0.15 -1.89 -0.09 0.00 0.04 0.00 0.00 32.58 30.49 1r9p s HIS 132 CO 0.40 -0.55 0.98 -1.58 -2.34 0.00 0.00 174.74 171.65 1r9p s HIS 133 N 0.93 3.86 -2.00 3.88 2.46 -1.26 -5.06 115.29 118.10 1r9p s HIS 133 Ca -0.03 1.86 0.15 0.00 0.47 0.00 0.00 55.06 57.50 1r9p s HIS 133 Cb -0.15 -3.04 0.88 0.00 -0.13 0.00 0.00 32.58 30.14 1r9p s HIS 133 CO -0.02 0.21 1.30 1.58 -2.47 0.00 0.00 174.74 175.33