#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1r9p n ALA 2 N 0.00 -0.62 -2.81 3.17 0.00 -1.26 -4.99 120.51 114.01 1r9p n ALA 2 Ca 0.00 0.08 -0.03 0.00 0.00 0.00 0.00 53.44 53.49 1r9p n ALA 2 Cb 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 19.45 19.24 1r9p n ALA 2 CO 0.00 0.00 0.00 0.98 0.00 0.00 0.00 177.50 178.48 1r9p n TYR 3 N -1.64 -2.83 -3.79 0.00 9.36 -1.26 -4.99 117.16 112.03 1r9p n TYR 3 Ca 0.00 1.10 -0.28 0.00 3.32 0.00 0.00 57.90 62.05 1r9p n TYR 3 Cb 0.11 -3.82 -0.12 0.00 -0.63 0.00 0.00 39.34 34.88 1r9p n TYR 3 CO 0.00 0.00 0.00 -1.12 0.22 0.00 0.00 176.86 175.96 1r9p s SER 4 N -2.71 4.01 0.12 2.98 0.01 -1.26 -5.09 113.70 111.76 1r9p s SER 4 Ca 0.09 -3.56 0.06 0.00 1.31 0.00 0.00 55.95 53.85 1r9p s SER 4 Cb -0.02 -1.35 -0.04 0.00 0.21 0.00 0.00 66.02 64.82 1r9p s SER 4 CO 0.67 -0.12 -0.04 -1.61 0.41 0.00 0.00 173.24 172.55 1r9p s GLU 5 N -0.95 2.33 -0.28 12.44 0.41 -1.26 -5.04 118.70 126.35 1r9p s GLU 5 Ca 0.25 -0.98 0.21 0.00 -0.41 0.00 0.00 54.97 54.04 1r9p s GLU 5 Cb -0.06 -2.40 0.49 0.00 -1.78 0.00 0.00 34.13 30.39 1r9p s GLU 5 CO -0.15 0.51 1.07 1.63 -0.49 0.00 0.00 175.26 177.82 1r9p n LYS 6 N 0.46 1.52 -1.67 1.61 5.02 -1.26 -5.09 118.16 118.74 1r9p n LYS 6 Ca -0.12 -3.36 -0.48 0.00 -2.02 0.00 0.00 58.31 52.33 1r9p n LYS 6 Cb 0.53 -1.43 -0.05 0.00 -0.02 0.00 0.00 35.03 34.06 1r9p n LYS 6 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 1r9p n VAL 7 N -0.43 0.31 -3.98 -0.18 0.31 -1.26 -4.94 118.33 108.15 1r9p n VAL 7 Ca 0.07 -0.06 -0.35 0.00 -0.01 0.00 0.00 64.34 63.99 1r9p n VAL 7 Cb 0.81 -1.66 -0.08 0.00 -0.91 0.00 0.00 33.84 31.99 1r9p n VAL 7 CO 0.00 0.00 0.00 0.27 -1.32 0.00 0.00 176.83 175.78 1r9p s ILE 8 N 2.62 5.02 -0.68 2.52 -4.36 -1.26 -5.05 121.20 120.02 1r9p s ILE 8 Ca 0.87 0.04 0.02 0.00 -0.26 0.00 0.00 60.65 61.32 1r9p s ILE 8 Cb -0.72 -3.23 0.17 0.00 1.25 0.00 0.00 42.46 39.93 1r9p s ILE 8 CO 0.47 0.52 0.47 1.51 0.24 0.00 0.00 174.94 178.15 1r9p s ASP 9 N -0.18 4.98 0.00 4.36 -4.77 -1.26 -4.72 116.67 115.07 1r9p s ASP 9 Ca 0.09 -3.42 0.00 0.00 -3.30 0.00 0.00 52.55 45.91 1r9p s ASP 9 Cb -0.12 -1.73 0.00 0.00 -1.09 0.00 0.00 42.92 39.98 1r9p s ASP 9 CO 0.01 -0.19 0.00 1.57 0.70 0.00 0.00 175.17 177.26 1r9p n HIS 10 N 2.62 0.00 -2.72 2.11 -0.00 -1.26 -4.94 115.22 111.02 1r9p n HIS 10 Ca 0.14 0.00 -0.42 0.00 0.46 0.00 0.00 57.72 57.90 1r9p n HIS 10 Cb 0.35 0.00 0.01 0.00 -0.12 0.00 0.00 29.99 30.23 1r9p n HIS 10 CO 0.00 0.00 0.00 0.66 0.46 0.00 0.00 176.34 177.46 1r9p n TYR 11 N -0.81 2.49 -2.81 1.57 4.01 -1.26 -5.00 117.16 115.34 1r9p n TYR 11 Ca 0.00 -2.62 -0.26 0.00 -0.16 0.00 0.00 57.90 54.86 1r9p n TYR 11 Cb 0.00 -1.41 0.00 0.00 -0.31 0.00 0.00 39.34 37.62 1r9p n TYR 11 CO 0.00 0.00 0.00 -1.83 -0.46 0.00 0.00 176.86 174.57 1r9p s GLU 12 N -2.41 3.41 -0.45 -0.72 -1.05 -1.26 -5.06 118.70 111.16 1r9p s GLU 12 Ca 0.36 -0.01 0.03 0.00 -0.15 0.00 0.00 54.97 55.20 1r9p s GLU 12 Cb 0.10 -2.45 0.13 0.00 -0.44 0.00 0.00 34.13 31.47 1r9p s GLU 12 CO 0.02 -0.19 0.22 -0.80 0.95 0.00 0.00 175.26 175.47 1r9p s ASN 13 N -4.12 4.04 0.56 0.83 -0.87 -1.26 -5.11 114.94 109.01 1r9p s ASN 13 Ca 0.46 -2.66 -0.13 0.00 -1.57 0.00 0.00 52.86 48.97 1r9p s ASN 13 Cb -0.10 -1.31 -0.05 0.00 -0.02 0.00 0.00 41.25 39.76 1r9p s ASN 13 CO 0.42 -0.27 0.99 -2.16 -2.57 0.00 0.00 177.10 173.50 1r9p s PRO 14 N 0.25 3.73 -0.44 -0.60 0.04 -1.26 -5.04 135.00 131.68 1r9p s PRO 14 Ca 0.16 0.78 0.08 0.00 0.04 0.00 0.00 61.00 62.06 1r9p s PRO 14 Cb -0.24 -2.13 0.30 0.00 0.04 0.00 0.00 34.50 32.46 1r9p s PRO 14 CO -0.02 -0.41 0.87 -2.13 0.04 0.00 0.00 177.00 175.35 1r9p n ARG 15 N -2.23 0.90 -4.69 4.56 0.63 -1.26 -5.13 116.66 109.44 1r9p n ARG 15 Ca 0.06 -2.43 -0.31 0.00 -0.92 0.00 0.00 57.85 54.25 1r9p n ARG 15 Cb 0.54 -1.33 -0.09 0.00 0.45 0.00 0.00 32.46 32.04 1r9p n ARG 15 CO 0.00 0.00 0.00 1.21 -2.51 0.00 0.00 177.63 176.33 1r9p s ASN 16 N -1.63 3.88 -0.58 6.15 3.84 -1.26 -5.09 114.94 120.24 1r9p s ASN 16 Ca 0.31 -1.57 0.06 0.00 0.21 0.00 0.00 52.86 51.87 1r9p s ASN 16 Cb 0.27 0.25 0.22 0.00 -0.55 0.00 0.00 41.25 41.44 1r9p s ASN 16 CO -0.12 -0.74 0.58 0.52 -2.79 0.00 0.00 177.10 174.55 1r9p n VAL 17 N -1.13 1.11 0.00 -5.21 0.31 -1.26 -5.10 118.33 107.05 1r9p n VAL 17 Ca -0.14 -4.66 0.00 0.00 -0.01 0.00 0.00 64.34 59.54 1r9p n VAL 17 Cb 0.67 -2.04 0.00 0.00 -0.91 0.00 0.00 33.84 31.56 1r9p n VAL 17 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1r9p n GLY 18 N 1.54 -3.02 0.41 2.92 0.00 -1.26 -4.86 105.19 100.91 1r9p n GLY 18 Ca 0.25 -1.00 0.05 0.00 0.00 0.00 0.00 46.02 45.32 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 -1.90 -2.40 0.00 1.61 3.41 -1.26 -4.74 113.62 108.33 1r9p n SER 19 Ca 0.00 0.31 0.00 0.00 -0.26 0.00 0.00 58.87 58.92 1r9p n SER 19 Cb 0.00 -1.33 0.00 0.00 -0.26 0.00 0.00 64.21 62.62 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 -2.95 0.00 0.00 1.04 7.94 -1.26 -4.64 117.00 117.12 1r9p n LEU 20 Ca -0.01 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.89 1r9p n LEU 20 Cb 0.19 -0.06 0.00 0.00 0.53 0.00 0.00 43.42 44.08 1r9p n LEU 20 CO 0.01 0.00 0.16 0.47 -1.11 0.00 0.00 177.39 176.92 1r9p n ASP 21 N 0.00 0.00 0.00 1.96 8.00 -1.26 -4.64 116.55 120.61 1r9p n ASP 21 Ca 0.00 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.50 1r9p n ASP 21 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.10 1r9p n ASP 21 CO 0.00 0.00 0.00 1.17 -0.39 0.00 0.00 177.20 177.98 1r9p n LYS 22 N -0.79 -0.29 -1.17 -1.24 4.81 -1.26 -4.51 118.16 113.70 1r9p n LYS 22 Ca 0.00 0.07 -0.06 0.00 -0.87 0.00 0.00 58.31 57.46 1r9p n LYS 22 Cb 0.00 -4.16 -0.05 0.00 0.02 0.00 0.00 35.03 30.84 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 -1.60 0.11 -0.66 1.64 5.02 -1.26 -4.87 118.16 116.54 1r9p n LYS 23 Ca 0.00 -1.11 -0.08 0.00 -2.02 0.00 0.00 58.31 55.10 1r9p n LYS 23 Cb 0.07 0.44 0.15 0.00 -0.02 0.00 0.00 35.03 35.68 1r9p n LYS 23 CO 0.00 0.00 0.00 -3.47 -0.52 0.00 0.00 177.40 173.41 1r9p n ASP 24 N -0.08 3.55 0.00 4.39 2.03 -1.26 -4.82 116.55 120.36 1r9p n ASP 24 Ca -0.25 -2.81 0.00 0.00 0.52 0.00 0.00 54.79 52.26 1r9p n ASP 24 Cb 0.75 -0.67 0.00 0.00 -0.72 0.00 0.00 41.12 40.48 1r9p n ASP 24 CO 0.00 0.00 0.00 -1.54 -1.92 0.00 0.00 177.20 173.74 1r9p n SER 25 N -0.19 0.00 -0.55 1.67 3.41 -1.26 -4.65 113.62 112.05 1r9p n SER 25 Ca 0.29 0.00 0.07 0.00 -0.26 0.00 0.00 58.87 58.97 1r9p n SER 25 Cb 1.06 -1.37 0.05 0.00 -0.26 0.00 0.00 64.21 63.69 1r9p n SER 25 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 1r9p n ASN 26 N 0.00 2.11 -3.77 4.04 3.02 -1.26 -4.81 115.26 114.59 1r9p n ASN 26 Ca 0.00 -1.56 -0.30 0.00 -0.03 0.00 0.00 54.58 52.69 1r9p n ASN 26 Cb 0.00 0.07 -0.14 0.00 -0.61 0.00 0.00 39.78 39.10 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 -1.30 1.27 0.32 2.41 1.01 -1.26 -0.59 120.40 122.26 1r9p s VAL 27 Ca 0.16 -1.96 -0.29 0.00 0.00 0.00 0.00 61.98 59.90 1r9p s VAL 27 Cb 0.12 -1.93 -0.10 0.00 0.00 0.00 0.00 36.38 34.47 1r9p s VAL 27 CO 0.21 -0.75 1.34 -0.83 0.00 0.00 0.00 175.10 175.08 1r9p s GLY 28 N 1.05 2.88 -0.29 4.51 0.00 -0.41 -4.59 107.32 110.47 1r9p s GLY 28 Ca 0.13 1.30 0.03 0.00 0.00 0.00 0.00 44.72 46.18 1r9p s GLY 28 CO -0.13 2.00 -0.04 -1.59 0.00 0.00 0.00 173.10 173.34 1r9p s THR 29 N -0.94 2.14 -0.19 0.90 2.01 -1.26 -2.01 115.64 116.30 1r9p s THR 29 Ca 0.51 -1.88 -0.08 0.00 0.31 0.00 0.00 61.69 60.55 1r9p s THR 29 Cb -0.41 -2.39 -0.04 0.00 0.01 0.00 0.00 72.50 69.67 1r9p s THR 29 CO 0.52 -0.27 0.08 -0.83 -0.69 0.00 0.00 174.62 173.43 1r9p s GLY 30 N 1.05 1.94 -0.12 4.40 0.00 0.25 -4.39 107.32 110.45 1r9p s GLY 30 Ca -0.01 -0.73 -0.01 0.00 0.00 0.00 0.00 44.72 43.97 1r9p s GLY 30 CO -0.07 0.07 -0.02 -0.29 0.00 0.00 0.00 173.10 172.80 1r9p s MET 31 N 0.35 0.99 0.20 2.90 1.75 -1.26 -1.10 119.30 123.13 1r9p s MET 31 Ca 0.04 -0.21 0.08 0.00 -1.25 0.00 0.00 55.69 54.36 1r9p s MET 31 Cb -0.12 -1.55 -0.05 0.00 2.84 0.00 0.00 34.83 35.95 1r9p s MET 31 CO -0.00 -0.39 -0.15 0.14 -0.65 0.00 0.00 175.02 173.96 1r9p s VAL 32 N 1.82 1.79 0.22 10.11 -7.23 -0.82 -5.02 120.40 121.27 1r9p s VAL 32 Ca 0.03 -2.16 0.12 0.00 -1.81 0.00 0.00 61.98 58.15 1r9p s VAL 32 Cb -0.14 -2.01 -0.05 0.00 0.56 0.00 0.00 36.38 34.74 1r9p s VAL 32 CO -0.07 -0.53 -0.23 -0.83 -0.31 0.00 0.00 175.10 173.14 1r9p s GLY 33 N -3.19 1.77 -0.69 2.32 0.00 -1.26 -1.51 107.32 104.75 1r9p s GLY 33 Ca 0.21 -1.72 0.03 0.00 0.00 0.00 0.00 44.72 43.25 1r9p s GLY 33 CO 0.07 -1.76 0.49 0.00 0.00 0.00 0.00 173.10 171.90 1r9p s ALA 34 N -1.94 3.77 0.22 3.20 0.00 -0.46 -4.92 121.76 121.64 1r9p s ALA 34 Ca 0.24 -3.69 0.22 0.00 0.00 0.00 0.00 51.96 48.73 1r9p s ALA 34 Cb -0.07 -2.32 1.21 0.00 0.00 0.00 0.00 23.12 21.95 1r9p s ALA 34 CO 0.11 -2.09 1.64 -1.35 0.00 0.00 0.00 175.76 174.07 1r9p h PRO 35 N 5.85 0.00 0.07 0.00 0.11 -1.96 1.08 132.00 137.15 1r9p h PRO 35 Ca 0.09 0.00 -0.29 0.00 0.11 0.00 0.00 66.00 65.91 1r9p h PRO 35 Cb 0.81 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 31.89 1r9p h PRO 35 CO 0.74 0.00 -1.55 0.00 -0.21 0.00 0.00 178.00 176.97 1r9p h ALA 36 N 1.45 0.45 0.00 -0.75 0.00 -1.98 -3.37 119.26 115.07 1r9p h ALA 36 Ca 0.00 -1.22 -0.01 0.00 0.00 0.00 0.00 54.91 53.68 1r9p h ALA 36 Cb 0.46 0.32 -0.03 0.00 0.00 0.00 0.00 17.79 18.55 1r9p h ALA 36 CO 0.00 1.31 -0.26 0.00 0.00 0.00 0.00 179.25 180.29 1r9p n GLY 38 N -1.03 -0.94 2.66 0.00 0.00 0.35 -4.62 105.19 101.61 1r9p n GLY 38 Ca 0.14 0.43 -0.22 0.00 0.00 0.00 0.00 46.02 46.37 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 -2.83 1.54 -0.43 1.61 -1.08 -1.15 -4.79 116.67 109.54 1r9p s ASP 39 Ca 0.03 -0.14 -0.21 0.00 -0.52 0.00 0.00 52.55 51.70 1r9p s ASP 39 Cb -0.02 -0.19 0.02 0.00 -1.46 0.00 0.00 42.92 41.27 1r9p s ASP 39 CO 0.67 -0.28 0.69 -0.69 0.52 0.00 0.00 175.17 176.08 1r9p s VAL 40 N 2.15 4.77 -0.11 1.11 1.01 -1.26 -1.36 120.40 126.72 1r9p s VAL 40 Ca 0.04 0.28 -0.11 0.00 0.00 0.00 0.00 61.98 62.19 1r9p s VAL 40 Cb -0.13 -4.23 -0.05 0.00 0.00 0.00 0.00 36.38 31.97 1r9p s VAL 40 CO -0.05 -0.61 0.23 -0.32 0.00 0.00 0.00 175.10 174.36 1r9p s MET 41 N 2.97 3.80 -0.19 2.72 1.75 -0.57 -4.44 119.30 125.34 1r9p s MET 41 Ca 0.25 0.04 -0.00 0.00 -1.25 0.00 0.00 55.69 54.73 1r9p s MET 41 Cb -0.13 -3.27 0.05 0.00 2.84 0.00 0.00 34.83 34.32 1r9p s MET 41 CO 0.20 0.60 -0.04 -1.14 -0.65 0.00 0.00 175.02 173.99 1r9p s GLN 42 N -0.61 1.37 -0.05 4.11 0.74 -0.78 -1.95 119.66 122.49 1r9p s GLN 42 Ca 0.17 -0.65 0.04 0.00 0.05 0.00 0.00 55.36 54.97 1r9p s GLN 42 Cb -0.13 -2.20 -0.02 0.00 1.10 0.00 0.00 33.01 31.75 1r9p s GLN 42 CO 0.06 -0.52 -0.17 -1.17 -0.55 0.00 0.00 175.29 172.94 1r9p s LEU 43 N 1.60 2.58 -0.02 3.68 2.96 -0.26 -2.14 118.68 127.07 1r9p s LEU 43 Ca -0.02 -0.27 0.01 0.00 -0.22 0.00 0.00 54.13 53.64 1r9p s LEU 43 Cb -0.17 -1.51 0.01 0.00 0.50 0.00 0.00 46.19 45.02 1r9p s LEU 43 CO -0.07 0.33 -0.05 -1.10 -1.32 0.00 0.00 176.35 174.13 1r9p s GLN 44 N -0.63 0.64 -0.06 1.98 -0.21 -0.70 -0.58 119.66 120.11 1r9p s GLN 44 Ca 0.09 -0.15 0.06 0.00 0.02 0.00 0.00 55.36 55.38 1r9p s GLN 44 Cb -0.11 -0.65 -0.01 0.00 1.00 0.00 0.00 33.01 33.24 1r9p s GLN 44 CO 0.01 0.02 -0.25 0.96 -2.12 0.00 0.00 175.29 173.91 1r9p s ILE 45 N 0.40 2.09 -0.14 1.08 -4.36 -0.85 -1.96 121.20 117.45 1r9p s ILE 45 Ca -0.05 -1.05 -0.04 0.00 -0.26 0.00 0.00 60.65 59.25 1r9p s ILE 45 Cb -0.09 -1.76 -0.03 0.00 1.25 0.00 0.00 42.46 41.83 1r9p s ILE 45 CO -0.00 0.57 0.00 -0.75 0.24 0.00 0.00 174.94 175.00 1r9p s LYS 46 N -0.14 3.51 -0.08 0.37 2.20 -0.81 -1.28 119.74 123.50 1r9p s LYS 46 Ca -0.04 -0.43 -0.01 0.00 -0.36 0.00 0.00 55.97 55.13 1r9p s LYS 46 Cb -0.14 -2.95 -0.03 0.00 -1.51 0.00 0.00 37.83 33.20 1r9p s LYS 46 CO 0.04 0.42 -0.02 0.08 -0.36 0.00 0.00 175.35 175.51 1r9p s VAL 47 N -0.09 4.13 0.00 4.02 1.01 0.25 -3.02 120.40 126.69 1r9p s VAL 47 Ca 0.04 -0.32 0.00 0.00 0.00 0.00 0.00 61.98 61.70 1r9p s VAL 47 Cb -0.13 -2.72 0.00 0.00 0.00 0.00 0.00 36.38 33.53 1r9p s VAL 47 CO 0.02 0.60 0.00 -0.67 0.00 0.00 0.00 175.10 175.05 1r9p n ASP 48 N 2.21 0.00 -0.36 3.32 -0.08 -0.99 -4.89 116.55 115.75 1r9p n ASP 48 Ca -0.18 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.10 1r9p n ASP 48 Cb 0.53 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.99 1r9p n ASP 48 CO 0.00 0.00 0.00 0.47 0.12 0.00 0.00 177.20 177.79 1r9p n ASP 49 N -0.12 0.00 -0.05 1.67 8.00 -1.26 -4.89 116.55 119.90 1r9p n ASP 49 Ca 0.00 -1.19 0.00 0.00 0.71 0.00 0.00 54.79 54.31 1r9p n ASP 49 Cb 0.00 -0.04 0.00 0.00 -0.02 0.00 0.00 41.12 41.06 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 0.00 0.00 -2.24 3.02 -1.26 -4.97 115.26 109.81 1r9p n ASN 50 Ca 0.00 -1.08 0.00 0.00 -0.03 0.00 0.00 54.58 53.47 1r9p n ASN 50 Cb 0.54 -0.02 0.00 0.00 -0.61 0.00 0.00 39.78 39.69 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 0.00 0.76 3.74 7.41 0.00 -1.26 -5.03 105.19 110.81 1r9p n GLY 51 Ca 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.62 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 -2.95 4.63 -0.60 -0.61 -1.09 -1.26 -3.47 121.20 115.86 1r9p s ILE 52 Ca 0.00 1.76 -0.25 0.00 -2.23 0.00 0.00 60.65 59.93 1r9p s ILE 52 Cb 0.00 -4.17 0.04 0.00 -1.58 0.00 0.00 42.46 36.75 1r9p s ILE 52 CO 0.00 0.37 1.01 -0.63 -1.23 0.00 0.00 174.94 174.46 1r9p s ILE 53 N -0.15 4.27 -0.21 2.92 1.01 -0.82 -2.36 121.20 125.86 1r9p s ILE 53 Ca 0.40 0.23 0.17 0.00 0.00 0.00 0.00 60.65 61.45 1r9p s ILE 53 Cb -0.22 -4.63 0.09 0.00 0.01 0.00 0.00 42.46 37.72 1r9p s ILE 53 CO 0.25 -1.28 1.41 -0.33 0.00 0.00 0.00 174.94 174.98 1r9p h GLU 54 N 9.46 0.00 -3.20 2.79 4.39 -1.89 0.14 114.58 126.27 1r9p h GLU 54 Ca -0.27 0.00 -0.12 0.00 0.34 0.00 0.00 59.36 59.31 1r9p h GLU 54 Cb 1.07 0.00 -0.20 0.00 -0.10 0.00 0.00 28.75 29.52 1r9p h GLU 54 CO 1.14 0.38 -0.33 0.34 -1.16 0.00 0.00 179.01 179.37 1r9p s ASP 55 N -6.32 -0.12 -0.11 1.42 2.15 -1.26 -4.79 116.67 107.64 1r9p s ASP 55 Ca 0.04 -0.04 -0.03 0.00 0.43 0.00 0.00 52.55 52.95 1r9p s ASP 55 Cb 0.07 0.29 0.05 0.00 -0.30 0.00 0.00 42.92 43.03 1r9p s ASP 55 CO 0.74 -0.45 0.13 0.00 -0.17 0.00 0.00 175.17 175.42 1r9p s ALA 56 N -1.50 0.05 0.15 3.66 0.00 -1.26 -1.93 121.76 120.92 1r9p s ALA 56 Ca -0.13 0.24 -0.02 0.00 0.00 0.00 0.00 51.96 52.06 1r9p s ALA 56 Cb -0.05 -0.88 -0.05 0.00 0.00 0.00 0.00 23.12 22.15 1r9p s ALA 56 CO 0.03 -0.76 0.34 0.15 0.00 0.00 0.00 175.76 175.52 1r9p s LYS 57 N 2.23 3.53 0.18 0.00 1.02 -0.83 -4.98 119.74 120.90 1r9p s LYS 57 Ca 0.04 -0.30 -0.09 0.00 0.02 0.00 0.00 55.97 55.64 1r9p s LYS 57 Cb -0.13 -2.89 -0.01 0.00 -0.52 0.00 0.00 37.83 34.27 1r9p s LYS 57 CO -0.07 0.48 0.30 -0.59 -0.92 0.00 0.00 175.35 174.55 1r9p s PHE 58 N -1.72 0.46 -0.30 3.18 -0.71 -1.26 -1.72 117.98 115.91 1r9p s PHE 58 Ca 0.38 -0.81 -0.14 0.00 -1.04 0.00 0.00 56.93 55.32 1r9p s PHE 58 Cb -0.12 -0.06 0.17 0.00 -1.21 0.00 0.00 43.02 41.80 1r9p s PHE 58 CO 0.27 -0.76 1.00 0.21 -1.34 0.00 0.00 175.22 174.61 1r9p s LYS 59 N -3.99 0.27 -0.16 1.99 2.47 -0.91 -5.01 119.74 114.39 1r9p s LYS 59 Ca 0.20 0.62 -0.23 0.00 -1.56 0.00 0.00 55.97 55.00 1r9p s LYS 59 Cb 0.03 0.37 0.06 0.00 -1.46 0.00 0.00 37.83 36.83 1r9p s LYS 59 CO 0.02 -0.14 0.61 -0.08 0.16 0.00 0.00 175.35 175.92 1r9p s THR 60 N 2.54 0.01 -0.34 3.43 -1.32 -1.26 -1.87 115.64 116.82 1r9p s THR 60 Ca -0.01 -0.05 0.05 0.00 -1.21 0.00 0.00 61.69 60.47 1r9p s THR 60 Cb -0.07 -0.88 0.19 0.00 -1.51 0.00 0.00 72.50 70.24 1r9p s THR 60 CO -0.16 -0.03 0.66 -0.72 -2.21 0.00 0.00 174.62 172.16 1r9p s TYR 61 N -0.25 -1.64 0.26 9.09 1.13 -1.26 -4.59 117.35 120.08 1r9p s TYR 61 Ca -0.04 0.65 0.00 0.00 -1.41 0.00 0.00 57.07 56.27 1r9p s TYR 61 Cb -0.03 0.29 0.00 0.00 -1.10 0.00 0.00 41.96 41.12 1r9p s TYR 61 CO 0.04 -1.02 0.00 0.41 -2.51 0.00 0.00 175.55 172.47 1r9p n GLY 62 N 4.91 -1.74 3.80 5.49 0.00 -1.26 -4.77 105.19 111.63 1r9p n GLY 62 Ca 0.08 0.47 -0.35 0.00 0.00 0.00 0.00 46.02 46.21 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 0.23 -0.44 0.00 0.00 0.00 -1.26 -2.02 105.19 101.69 1r9p n GLY 64 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.04 1r9p n GLY 64 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1r9p n SER 65 N -0.47 0.05 0.02 1.61 2.88 -1.26 -4.84 113.62 111.61 1r9p n SER 65 Ca 0.00 -0.34 -0.02 0.00 -1.33 0.00 0.00 58.87 57.18 1r9p n SER 65 Cb 0.00 0.14 -0.01 0.00 -0.75 0.00 0.00 64.21 63.59 1r9p n SER 65 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1r9p h ALA 66 N 0.00 -0.70 -1.18 -1.46 0.00 -1.78 -0.80 119.26 113.33 1r9p h ALA 66 Ca 0.00 -0.02 0.34 0.00 0.00 0.00 0.00 54.91 55.23 1r9p h ALA 66 Cb 0.11 0.39 -0.09 0.00 0.00 0.00 0.00 17.79 18.20 1r9p h ALA 66 CO 0.00 -0.71 0.79 0.82 0.00 0.00 0.00 179.25 180.15 1r9p h ILE 67 N -0.09 0.38 0.61 0.00 2.04 -1.81 0.30 117.51 118.94 1r9p h ILE 67 Ca -0.00 -0.07 -0.02 0.00 1.00 0.00 0.00 64.86 65.76 1r9p h ILE 67 Cb 0.09 0.16 -0.01 0.00 -0.74 0.00 0.00 36.82 36.33 1r9p h ILE 67 CO -0.02 0.04 -0.38 0.00 0.00 0.00 0.00 178.15 177.79 1r9p h ALA 68 N 1.53 -0.96 -0.43 1.87 0.00 -1.52 0.49 119.26 120.24 1r9p h ALA 68 Ca 0.65 -0.19 -0.12 0.00 0.00 0.00 0.00 54.91 55.25 1r9p h ALA 68 Cb 2.06 0.47 -0.01 0.00 0.00 0.00 0.00 17.79 20.30 1r9p h ALA 68 CO -0.23 -1.06 -0.19 0.77 0.00 0.00 0.00 179.25 178.54 1r9p h SER 69 N -0.94 0.91 0.09 0.00 0.02 0.21 -2.39 113.55 111.44 1r9p h SER 69 Ca -0.08 -0.40 -0.01 0.00 -0.84 0.00 0.00 61.79 60.46 1r9p h SER 69 Cb 0.76 -0.25 -0.00 0.00 0.14 0.00 0.00 62.40 63.05 1r9p h SER 69 CO 0.07 1.10 -0.06 0.77 -1.14 0.00 0.00 176.83 177.57 1r9p h SER 70 N 0.71 0.00 -0.00 3.07 4.64 -0.36 -0.50 113.55 121.11 1r9p h SER 70 Ca 0.10 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.42 1r9p h SER 70 Cb 0.75 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.84 1r9p h SER 70 CO 0.06 0.06 -0.00 0.77 -0.87 0.00 0.00 176.83 176.85 1r9p h SER 71 N 0.00 0.00 0.66 4.97 4.64 0.39 -2.49 113.55 121.73 1r9p h SER 71 Ca -0.00 -0.75 -0.03 0.00 -0.47 0.00 0.00 61.79 60.54 1r9p h SER 71 Cb 0.12 -0.00 0.01 0.00 -0.31 0.00 0.00 62.40 62.22 1r9p h SER 71 CO 0.01 0.75 -0.32 0.25 -0.87 0.00 0.00 176.83 176.65 1r9p h LEU 72 N -0.75 -0.75 -0.77 5.97 5.85 -1.11 -1.75 115.31 122.00 1r9p h LEU 72 Ca -0.00 -0.01 0.17 0.00 0.84 0.00 0.00 57.88 58.88 1r9p h LEU 72 Cb 0.75 0.20 -0.11 0.00 0.37 0.00 0.00 40.66 41.87 1r9p h LEU 72 CO 0.00 -0.43 0.22 -0.29 -0.34 0.00 0.00 178.44 177.61 1r9p h ILE 73 N -1.08 0.52 -0.63 4.05 2.10 -1.24 0.45 117.51 121.67 1r9p h ILE 73 Ca -0.09 -0.11 0.01 0.00 1.08 0.00 0.00 64.86 65.75 1r9p h ILE 73 Cb 0.72 0.18 -0.03 0.00 -1.09 0.00 0.00 36.82 36.60 1r9p h ILE 73 CO 0.15 0.06 0.41 0.71 -1.08 0.00 0.00 178.15 178.40 1r9p h THR 74 N 0.31 1.16 0.00 2.19 1.35 -1.30 0.21 112.91 116.83 1r9p h THR 74 Ca 0.44 -0.30 0.00 0.00 -0.55 0.00 0.00 66.41 66.00 1r9p h THR 74 Cb 0.76 0.24 0.00 0.00 -1.73 0.00 0.00 68.15 67.42 1r9p h THR 74 CO -0.51 0.16 0.00 -0.62 -0.25 0.00 0.00 175.52 174.30 1r9p n GLU 75 N -4.44 0.02 -0.09 4.72 1.02 0.14 -3.30 120.64 118.71 1r9p n GLU 75 Ca 0.06 0.07 -0.11 0.00 -0.02 0.00 0.00 57.16 57.16 1r9p n GLU 75 Cb 0.04 -1.52 -0.16 0.00 -0.02 0.00 0.00 31.44 29.78 1r9p n GLU 75 CO 0.00 0.00 0.00 0.91 1.18 0.00 0.00 177.13 179.22 1r9p n TRP 76 N -1.56 0.10 -1.14 -0.32 7.02 0.28 -4.33 117.44 117.49 1r9p n TRP 76 Ca 0.06 0.03 -0.28 0.00 -1.02 0.00 0.00 57.50 56.30 1r9p n TRP 76 Cb 0.31 -1.02 0.08 0.00 -2.42 0.00 0.00 31.31 28.27 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 -2.82 3.29 -3.80 -0.99 0.24 0.48 -4.71 118.33 110.03 1r9p n VAL 77 Ca -0.33 -2.38 -0.36 0.00 -2.04 0.00 0.00 64.34 59.23 1r9p n VAL 77 Cb 1.14 -1.10 -0.12 0.00 -1.47 0.00 0.00 33.84 32.29 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 -3.14 2.14 0.00 7.34 2.20 -1.24 -4.47 119.74 122.58 1r9p s LYS 78 Ca 0.53 -1.65 0.00 0.00 -0.36 0.00 0.00 55.97 54.49 1r9p s LYS 78 Cb 0.42 -3.50 0.00 0.00 -1.51 0.00 0.00 37.83 33.25 1r9p s LYS 78 CO 0.01 -0.95 0.00 0.41 -0.36 0.00 0.00 175.35 174.46 1r9p n GLY 79 N 4.62 0.69 3.91 5.54 0.00 0.48 -5.02 105.19 115.42 1r9p n GLY 79 Ca -0.05 -0.46 -0.20 0.00 0.00 0.00 0.00 46.02 45.31 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 -0.93 2.65 0.18 1.61 -0.14 -1.26 -4.67 119.74 117.18 1r9p s LYS 80 Ca 0.00 -1.42 -0.07 0.00 -1.36 0.00 0.00 55.97 53.12 1r9p s LYS 80 Cb 0.00 -2.50 -0.06 0.00 -1.68 0.00 0.00 37.83 33.59 1r9p s LYS 80 CO 0.00 -0.18 0.45 -1.12 -0.76 0.00 0.00 175.35 173.74 1r9p s SER 81 N -4.18 6.54 0.58 2.83 0.01 -1.26 -1.95 113.70 116.28 1r9p s SER 81 Ca 0.49 0.72 0.30 0.00 1.31 0.00 0.00 55.95 58.77 1r9p s SER 81 Cb -0.05 -2.15 1.40 0.00 0.21 0.00 0.00 66.02 65.43 1r9p s SER 81 CO 0.29 -0.01 1.78 -0.07 0.41 0.00 0.00 173.24 175.64 1r9p h LEU 82 N 2.66 0.00 -0.90 2.44 3.38 -1.96 0.58 115.31 121.51 1r9p h LEU 82 Ca -0.46 0.00 -0.11 0.00 0.09 0.00 0.00 57.88 57.40 1r9p h LEU 82 Cb 1.17 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.91 1r9p h LEU 82 CO 0.71 0.00 -0.41 -0.33 0.09 0.00 0.00 178.44 178.50 1r9p h GLU 83 N 0.00 0.29 0.09 1.13 5.08 -1.91 0.11 114.58 119.37 1r9p h GLU 83 Ca 0.33 -0.14 -0.28 0.00 -1.00 0.00 0.00 59.36 58.26 1r9p h GLU 83 Cb 1.68 -0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.92 1r9p h GLU 83 CO -0.00 0.66 -1.42 0.93 -1.00 0.00 0.00 179.01 178.17 1r9p h GLU 84 N 0.24 0.19 0.03 2.33 4.39 -0.23 -3.34 114.58 118.20 1r9p h GLU 84 Ca 0.02 -0.33 -0.26 0.00 0.34 0.00 0.00 59.36 59.13 1r9p h GLU 84 Cb 0.83 0.12 0.02 0.00 -0.10 0.00 0.00 28.75 29.62 1r9p h GLU 84 CO 0.07 1.06 -1.07 0.00 -1.16 0.00 0.00 179.01 177.90 1r9p h ALA 85 N 0.63 0.16 -0.49 3.43 0.00 -1.30 -3.10 119.26 118.59 1r9p h ALA 85 Ca -0.19 -0.73 -0.52 0.00 0.00 0.00 0.00 54.91 53.47 1r9p h ALA 85 Cb 1.97 0.05 -0.15 0.00 0.00 0.00 0.00 17.79 19.66 1r9p h ALA 85 CO 0.16 0.74 0.75 0.41 0.00 0.00 0.00 179.25 181.31 1r9p n GLY 86 N 1.13 4.37 0.00 0.00 0.00 0.37 -3.93 105.19 107.13 1r9p n GLY 86 Ca -0.10 -1.84 0.00 0.00 0.00 0.00 0.00 46.02 44.08 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 1.25 0.00 -0.58 4.61 0.00 -1.24 -4.90 120.51 119.66 1r9p n ALA 87 Ca 0.51 0.00 0.47 0.00 0.00 0.00 0.00 53.44 54.42 1r9p n ALA 87 Cb 0.53 0.00 0.80 0.00 0.00 0.00 0.00 19.45 20.77 1r9p n ALA 87 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 177.50 176.66 1r9p h ILE 88 N 0.00 0.14 -3.34 0.00 3.07 -1.66 -3.46 117.51 112.26 1r9p h ILE 88 Ca 0.00 -0.00 0.39 0.00 1.55 0.00 0.00 64.86 66.80 1r9p h ILE 88 Cb 0.00 0.13 -0.12 0.00 -0.27 0.00 0.00 36.82 36.56 1r9p h ILE 88 CO 0.00 0.00 -0.72 1.17 -1.05 0.00 0.00 178.15 177.55 1r9p n LYS 89 N -4.05 -3.06 -0.03 0.16 4.81 -1.26 -3.95 118.16 110.78 1r9p n LYS 89 Ca 0.38 2.15 -0.21 0.00 -0.87 0.00 0.00 58.31 59.76 1r9p n LYS 89 Cb 1.75 -3.70 -0.13 0.00 0.02 0.00 0.00 35.03 32.97 1r9p n LYS 89 CO 0.00 0.00 0.00 -2.95 1.17 0.00 0.00 177.40 175.62 1r9p h ASN 90 N -1.38 0.28 -1.02 3.14 -1.07 -1.89 -3.35 115.58 110.29 1r9p h ASN 90 Ca -0.03 -0.79 0.40 0.00 0.07 0.00 0.00 56.30 55.96 1r9p h ASN 90 Cb 1.36 -0.09 -0.16 0.00 -2.07 0.00 0.00 38.32 37.36 1r9p h ASN 90 CO 0.03 1.66 0.58 -0.24 0.07 0.00 0.00 177.43 179.53 1r9p n SER 91 N -3.93 0.29 0.17 6.14 2.88 -1.26 -0.57 113.62 117.35 1r9p n SER 91 Ca -0.29 1.49 -0.07 0.00 -1.33 0.00 0.00 58.87 58.67 1r9p n SER 91 Cb 0.88 -0.73 -0.03 0.00 -0.75 0.00 0.00 64.21 63.59 1r9p n SER 91 CO 0.00 0.00 0.00 -0.61 -1.23 0.00 0.00 175.04 173.20 1r9p h GLN 92 N 0.00 -0.42 -1.40 -1.46 5.75 -1.69 0.95 115.11 116.84 1r9p h GLN 92 Ca 0.80 0.03 0.41 0.00 -0.15 0.00 0.00 58.65 59.74 1r9p h GLN 92 Cb 2.23 0.10 -0.07 0.00 1.07 0.00 0.00 27.48 30.80 1r9p h GLN 92 CO -0.65 -0.28 0.99 0.82 -2.65 0.00 0.00 178.83 177.06 1r9p h ILE 93 N -0.48 0.28 0.00 2.39 2.04 -0.99 3.04 117.51 123.79 1r9p h ILE 93 Ca -0.04 -0.02 0.00 0.00 1.00 0.00 0.00 64.86 65.80 1r9p h ILE 93 Cb 0.33 0.22 0.00 0.00 -0.74 0.00 0.00 36.82 36.63 1r9p h ILE 93 CO 0.07 0.01 0.00 0.00 0.00 0.00 0.00 178.15 178.23 1r9p h ALA 94 N 1.35 1.00 0.00 1.87 0.00 -0.66 -1.43 119.26 121.39 1r9p h ALA 94 Ca 0.70 0.00 -0.00 0.00 0.00 0.00 0.00 54.91 55.61 1r9p h ALA 94 Cb 2.63 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 20.42 1r9p h ALA 94 CO -0.09 0.00 -0.39 1.49 0.00 0.00 0.00 179.25 180.26 1r9p h GLU 95 N 0.00 0.00 0.00 0.00 4.81 0.80 -2.46 114.58 117.73 1r9p h GLU 95 Ca 0.00 0.00 -0.26 0.00 -0.13 0.00 0.00 59.36 58.97 1r9p h GLU 95 Cb 0.97 0.00 -0.04 0.00 0.63 0.00 0.00 28.75 30.31 1r9p h GLU 95 CO 0.00 0.00 -1.75 -1.91 -0.73 0.00 0.00 179.01 174.62 1r9p n GLU 96 N -2.94 0.56 0.00 1.92 2.13 -0.65 -4.27 120.64 117.39 1r9p n GLU 96 Ca 0.02 0.31 0.10 0.00 0.66 0.00 0.00 57.16 58.25 1r9p n GLU 96 Cb 0.54 -1.52 0.49 0.00 0.27 0.00 0.00 31.44 31.22 1r9p n GLU 96 CO 0.00 0.00 0.00 1.28 -0.41 0.00 0.00 177.13 178.00 1r9p n LEU 97 N -4.37 0.00 -2.86 4.31 4.77 -0.55 -4.83 117.00 113.48 1r9p n LEU 97 Ca -0.36 0.28 -0.11 0.00 -0.03 0.00 0.00 56.01 55.80 1r9p n LEU 97 Cb 0.70 -0.28 -0.01 0.00 -2.33 0.00 0.00 43.42 41.50 1r9p n LEU 97 CO 0.11 -0.10 -0.05 -0.62 -1.33 0.00 0.00 177.39 175.40 1r9p n GLU 98 N -1.28 -2.61 -1.58 3.23 4.71 -0.93 -4.82 120.64 117.36 1r9p n GLU 98 Ca 0.09 0.18 -0.37 0.00 -0.01 0.00 0.00 57.16 57.06 1r9p n GLU 98 Cb 0.15 -4.74 0.07 0.00 -1.01 0.00 0.00 31.44 25.92 1r9p n GLU 98 CO 0.00 0.00 0.00 1.47 0.09 0.00 0.00 177.13 178.69 1r9p n LEU 99 N -2.90 4.40 -4.70 -4.62 -0.00 -1.25 -4.94 117.00 102.99 1r9p n LEU 99 Ca -0.01 0.77 -0.32 0.00 -0.00 0.00 0.00 56.01 56.45 1r9p n LEU 99 Cb 0.52 -1.45 0.13 0.00 -0.00 0.00 0.00 43.42 42.63 1r9p n LEU 99 CO 0.22 -1.66 0.72 -2.16 -0.00 0.00 0.00 177.39 174.52 1r9p s PRO 100 N -3.11 1.55 0.00 1.47 0.04 -1.26 -4.92 135.00 128.77 1r9p s PRO 100 Ca 0.78 1.58 0.24 0.00 0.04 0.00 0.00 61.00 63.64 1r9p s PRO 100 Cb -0.38 -1.78 1.17 0.00 0.04 0.00 0.00 34.50 33.55 1r9p s PRO 100 CO 0.45 -2.24 1.81 -0.35 0.04 0.00 0.00 177.00 176.71 1r9p n PRO 101 N -3.63 0.23 0.09 0.56 -0.04 -1.26 -3.09 135.00 127.87 1r9p n PRO 101 Ca 0.12 0.06 0.13 0.00 -0.04 0.00 0.00 63.50 63.77 1r9p n PRO 101 Cb 0.51 -1.50 0.32 0.00 -0.04 0.00 0.00 33.50 32.80 1r9p n PRO 101 CO 0.00 0.00 0.00 1.55 -0.04 0.00 0.00 175.50 177.01 1r9p n VAL 102 N -1.36 0.52 -1.48 0.52 3.14 -1.26 -3.53 118.33 114.88 1r9p n VAL 102 Ca 0.10 -0.29 -0.02 0.00 -2.96 0.00 0.00 64.34 61.17 1r9p n VAL 102 Cb 0.22 -0.43 0.20 0.00 -1.06 0.00 0.00 33.84 32.77 1r9p n VAL 102 CO 0.00 0.00 0.00 0.29 -6.46 0.00 0.00 176.83 170.66 1r9p n LYS 103 N -2.22 1.79 0.00 1.45 5.02 -1.18 -4.64 118.16 118.37 1r9p n LYS 103 Ca 0.05 -3.21 0.05 0.00 -2.02 0.00 0.00 58.31 53.17 1r9p n LYS 103 Cb 0.43 -1.77 0.21 0.00 -0.02 0.00 0.00 35.03 33.88 1r9p n LYS 103 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 1r9p n VAL 104 N -1.12 1.32 0.16 -0.18 0.31 -1.23 -1.70 118.33 115.88 1r9p n VAL 104 Ca 0.30 0.33 0.04 0.00 -0.01 0.00 0.00 64.34 65.00 1r9p n VAL 104 Cb 0.96 -1.16 0.14 0.00 -0.91 0.00 0.00 33.84 32.87 1r9p n VAL 104 CO 0.00 0.00 0.00 1.12 -1.32 0.00 0.00 176.83 176.63 1r9p h HIS 105 N 0.00 0.00 -0.01 3.52 -0.00 -1.89 -2.81 115.15 113.96 1r9p h HIS 105 Ca 0.00 0.00 -0.22 0.00 -0.00 0.00 0.00 60.37 60.15 1r9p h HIS 105 Cb 0.17 0.00 0.02 0.00 -0.00 0.00 0.00 27.41 27.59 1r9p h HIS 105 CO 0.00 0.46 -0.84 0.00 -0.00 0.00 0.00 177.93 177.55 1r9p h SER 107 N 0.20 -0.29 -0.96 0.00 0.87 -1.63 -2.50 113.55 109.25 1r9p h SER 107 Ca -0.10 -0.11 0.14 0.00 -1.23 0.00 0.00 61.79 60.49 1r9p h SER 107 Cb 1.51 0.07 -0.08 0.00 -0.44 0.00 0.00 62.40 63.47 1r9p h SER 107 CO 0.17 -0.06 0.61 -0.29 -0.53 0.00 0.00 176.83 176.72 1r9p h ILE 108 N -0.51 0.85 -0.31 2.23 2.10 -1.59 -0.60 117.51 119.69 1r9p h ILE 108 Ca -0.03 -0.29 0.06 0.00 1.08 0.00 0.00 64.86 65.68 1r9p h ILE 108 Cb 0.38 -0.05 -0.06 0.00 -1.09 0.00 0.00 36.82 36.00 1r9p h ILE 108 CO 0.06 0.15 -0.08 -0.07 -1.08 0.00 0.00 178.15 177.13 1r9p h LEU 109 N 0.83 -0.29 0.20 2.19 4.07 -1.02 0.03 115.31 121.33 1r9p h LEU 109 Ca 0.49 0.09 0.01 0.00 0.08 0.00 0.00 57.88 58.55 1r9p h LEU 109 Cb 0.65 0.19 -0.02 0.00 1.08 0.00 0.00 40.66 42.56 1r9p h LEU 109 CO -0.25 -0.10 -0.24 0.00 -1.08 0.00 0.00 178.44 176.76 1r9p h ALA 110 N 1.30 -0.47 -0.06 1.53 0.00 -0.79 0.97 119.26 121.75 1r9p h ALA 110 Ca 0.15 -0.06 0.02 0.00 0.00 0.00 0.00 54.91 55.01 1r9p h ALA 110 Cb 0.23 0.35 -0.04 0.00 0.00 0.00 0.00 17.79 18.33 1r9p h ALA 110 CO -0.32 -0.80 -0.36 1.49 0.00 0.00 0.00 179.25 179.27 1r9p h GLU 111 N -0.49 -0.39 -0.65 0.00 4.81 -0.89 0.49 114.58 117.46 1r9p h GLU 111 Ca 0.00 0.03 0.19 0.00 -0.13 0.00 0.00 59.36 59.45 1r9p h GLU 111 Cb 0.47 0.09 -0.03 0.00 0.63 0.00 0.00 28.75 29.91 1r9p h GLU 111 CO -0.08 -0.26 0.57 -0.44 -0.73 0.00 0.00 179.01 178.08 1r9p h ASP 112 N -0.40 0.00 -0.05 1.04 3.32 -0.85 0.14 116.42 119.63 1r9p h ASP 112 Ca 0.02 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 57.05 1r9p h ASP 112 Cb 0.46 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 40.00 1r9p h ASP 112 CO -0.27 0.00 -0.02 0.00 -1.72 0.00 0.00 179.24 177.23 1r9p h ALA 113 N 1.47 0.07 -0.78 3.45 0.00 0.25 -0.83 119.26 122.89 1r9p h ALA 113 Ca 0.31 -0.22 0.10 0.00 0.00 0.00 0.00 54.91 55.10 1r9p h ALA 113 Cb 1.45 -0.02 -0.05 0.00 0.00 0.00 0.00 17.79 19.17 1r9p h ALA 113 CO -0.00 -0.21 0.51 0.97 0.00 0.00 0.00 179.25 180.52 1r9p h ILE 114 N -0.28 0.94 0.33 0.00 6.09 0.66 -1.54 117.51 123.72 1r9p h ILE 114 Ca 0.01 -0.24 -0.02 0.00 -1.37 0.00 0.00 64.86 63.24 1r9p h ILE 114 Cb 0.44 0.18 0.00 0.00 0.47 0.00 0.00 36.82 37.91 1r9p h ILE 114 CO 0.01 0.13 -0.16 0.11 -3.07 0.00 0.00 178.15 175.17 1r9p h LYS 115 N 0.70 -0.42 -0.64 2.19 1.57 -1.30 -2.75 116.57 115.91 1r9p h LYS 115 Ca 0.36 0.03 0.11 0.00 -1.87 0.00 0.00 60.65 59.28 1r9p h LYS 115 Cb 0.45 0.10 -0.12 0.00 0.08 0.00 0.00 32.23 32.74 1r9p h LYS 115 CO -0.13 -0.12 -0.33 0.00 -0.57 0.00 0.00 179.45 178.29 1r9p h ALA 116 N -0.69 0.01 0.03 3.86 0.00 -0.80 -0.51 119.26 121.15 1r9p h ALA 116 Ca -0.04 0.18 0.02 0.00 0.00 0.00 0.00 54.91 55.07 1r9p h ALA 116 Cb 0.50 0.80 -0.05 0.00 0.00 0.00 0.00 17.79 19.03 1r9p h ALA 116 CO 0.07 -0.66 -0.52 0.00 0.00 0.00 0.00 179.25 178.14 1r9p h ALA 117 N 1.08 -0.93 -0.85 0.00 0.00 -1.35 0.98 119.26 118.19 1r9p h ALA 117 Ca 0.25 -0.09 0.22 0.00 0.00 0.00 0.00 54.91 55.29 1r9p h ALA 117 Cb 0.56 0.92 -0.13 0.00 0.00 0.00 0.00 17.79 19.13 1r9p h ALA 117 CO -0.72 -1.10 0.23 0.82 0.00 0.00 0.00 179.25 178.48 1r9p h ILE 118 N -0.69 0.37 0.46 0.00 2.04 -0.88 -0.03 117.51 118.78 1r9p h ILE 118 Ca 0.01 -0.08 -0.02 0.00 1.00 0.00 0.00 64.86 65.77 1r9p h ILE 118 Cb 0.73 0.11 0.00 0.00 -0.74 0.00 0.00 36.82 36.93 1r9p h ILE 118 CO -0.34 0.04 -0.22 0.00 0.00 0.00 0.00 178.15 177.64 1r9p h ALA 119 N 1.74 -1.05 0.00 1.87 0.00 0.40 0.87 119.26 123.10 1r9p h ALA 119 Ca 0.52 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 55.30 1r9p h ALA 119 Cb 1.01 0.24 0.00 0.00 0.00 0.00 0.00 17.79 19.04 1r9p h ALA 119 CO -0.62 -1.00 0.53 0.22 0.00 0.00 0.00 179.25 178.38 1r9p h ASP 120 N -0.67 0.00 0.40 0.00 1.82 -0.18 1.12 116.42 118.90 1r9p h ASP 120 Ca -0.06 0.00 -0.29 0.00 -0.39 0.00 0.00 57.03 56.29 1r9p h ASP 120 Cb 0.47 0.00 -0.05 0.00 0.68 0.00 0.00 39.33 40.43 1r9p h ASP 120 CO 0.10 0.00 -1.83 0.00 -1.61 0.00 0.00 179.24 175.90 1r9p n TYR 121 N -2.37 0.75 1.11 0.28 4.19 -0.09 -3.84 117.16 117.20 1r9p n TYR 121 Ca -0.01 0.27 0.11 0.00 3.31 0.00 0.00 57.90 61.58 1r9p n TYR 121 Cb 0.56 -1.12 0.36 0.00 0.49 0.00 0.00 39.34 39.62 1r9p n TYR 121 CO 0.00 0.00 0.00 1.17 0.91 0.00 0.00 176.86 178.94 1r9p n LYS 122 N -2.94 1.89 -0.12 2.98 4.81 0.37 -4.22 118.16 120.92 1r9p n LYS 122 Ca -0.19 -1.32 -0.23 0.00 -0.87 0.00 0.00 58.31 55.70 1r9p n LYS 122 Cb 1.04 -1.43 -0.09 0.00 0.02 0.00 0.00 35.03 34.57 1r9p n LYS 122 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1r9p n ALA 123 N 0.56 0.98 -0.74 3.14 0.00 -0.17 -4.37 120.51 119.91 1r9p n ALA 123 Ca 0.17 -0.84 -0.08 0.00 0.00 0.00 0.00 53.44 52.69 1r9p n ALA 123 Cb 0.40 -0.08 -0.11 0.00 0.00 0.00 0.00 19.45 19.66 1r9p n ALA 123 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 1r9p n LYS 124 N -4.36 1.48 0.00 0.00 4.81 -1.25 -3.39 118.16 115.44 1r9p n LYS 124 Ca -0.39 -0.64 0.00 0.00 -0.87 0.00 0.00 58.31 56.40 1r9p n LYS 124 Cb 0.73 -1.73 0.00 0.00 0.02 0.00 0.00 35.03 34.05 1r9p n LYS 124 CO 0.00 0.00 0.00 0.94 1.17 0.00 0.00 177.40 179.51 1r9p n GLN 125 N 2.36 2.65 0.00 1.64 0.00 -1.26 -4.66 117.38 118.11 1r9p n GLN 125 Ca 0.28 0.00 0.00 0.00 -0.00 0.00 0.00 57.00 57.28 1r9p n GLN 125 Cb 0.69 -0.94 0.00 0.00 0.00 0.00 0.00 30.24 29.99 1r9p n GLN 125 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 1r9p n GLY 126 N 2.53 0.64 1.53 1.69 0.00 -1.22 -4.99 105.19 105.38 1r9p n GLY 126 Ca 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 45.96 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 5.19 -4.49 0.99 4.77 -1.26 -4.81 117.00 117.39 1r9p n LEU 127 Ca 0.00 -2.52 -0.43 0.00 -0.03 0.00 0.00 56.01 53.03 1r9p n LEU 127 Cb 0.00 -0.94 -0.08 0.00 -2.33 0.00 0.00 43.42 40.07 1r9p n LEU 127 CO 0.00 0.95 0.20 -0.70 -1.33 0.00 0.00 177.39 176.51 1r9p s GLU 128 N -0.71 3.14 -0.11 3.23 2.12 -1.26 -4.97 118.70 120.14 1r9p s GLU 128 Ca 0.12 -0.68 -0.29 0.00 0.36 0.00 0.00 54.97 54.48 1r9p s GLU 128 Cb 0.10 -3.98 -0.04 0.00 0.26 0.00 0.00 34.13 30.47 1r9p s GLU 128 CO 0.01 -0.93 1.57 -3.38 -0.54 0.00 0.00 175.26 171.98 1r9p s HIS 129 N 2.35 2.18 -0.77 5.30 0.00 -1.26 -4.83 115.29 118.26 1r9p s HIS 129 Ca 0.15 0.44 0.07 0.00 -3.00 0.00 0.00 55.06 52.72 1r9p s HIS 129 Cb -0.17 -3.84 0.03 0.00 -4.00 0.00 0.00 32.58 24.60 1r9p s HIS 129 CO 0.15 -3.21 0.63 1.58 -1.00 0.00 0.00 174.74 172.89 1r9p n HIS 130 N 7.33 0.00 -1.77 0.38 -0.00 -1.26 -5.09 115.22 114.81 1r9p n HIS 130 Ca 0.17 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.35 1r9p n HIS 130 Cb 0.44 0.00 0.00 0.00 -0.12 0.00 0.00 29.99 30.31 1r9p n HIS 130 CO 0.00 0.00 0.00 1.58 0.46 0.00 0.00 176.34 178.38 1r9p n HIS 131 N 0.07 -3.89 -0.08 1.57 -0.00 -1.26 -4.98 115.22 106.65 1r9p n HIS 131 Ca 0.04 2.34 -0.08 0.00 0.46 0.00 0.00 57.72 60.47 1r9p n HIS 131 Cb 0.16 -3.35 -0.04 0.00 -0.12 0.00 0.00 29.99 26.64 1r9p n HIS 131 CO 0.00 0.00 0.00 0.72 0.46 0.00 0.00 176.34 177.52 1r9p n HIS 132 N 1.48 0.88 -1.52 1.57 -0.00 -1.26 -4.70 115.22 111.68 1r9p n HIS 132 Ca 0.00 0.38 -0.16 0.00 -0.00 0.00 0.00 57.72 57.94 1r9p n HIS 132 Cb 0.00 -0.82 -0.13 0.00 -0.00 0.00 0.00 29.99 29.04 1r9p n HIS 132 CO 0.00 0.00 0.00 0.72 -0.00 0.00 0.00 176.34 177.06 1r9p n HIS 133 N -4.57 0.66 -0.40 4.41 8.25 -1.26 -5.35 115.22 116.96 1r9p n HIS 133 Ca -0.13 -0.02 0.00 0.00 -0.26 0.00 0.00 57.72 57.31 1r9p n HIS 133 Cb 0.37 -1.72 0.00 0.00 1.12 0.00 0.00 29.99 29.76 1r9p n HIS 133 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70