#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1r9p s ALA 2 N 0.00 0.68 -0.06 3.04 0.00 -1.26 -5.06 121.76 119.10 1r9p s ALA 2 Ca 0.00 -1.41 0.08 0.00 0.00 0.00 0.00 51.96 50.63 1r9p s ALA 2 Cb 0.00 1.28 -0.12 0.00 0.00 0.00 0.00 23.12 24.28 1r9p s ALA 2 CO 0.00 -0.68 0.09 0.98 0.00 0.00 0.00 175.76 176.15 1r9p n TYR 3 N -0.31 0.00 -3.70 0.00 4.19 -1.26 -5.00 117.16 111.08 1r9p n TYR 3 Ca 0.01 0.00 -0.26 0.00 3.31 0.00 0.00 57.90 60.96 1r9p n TYR 3 Cb 0.65 -0.35 -0.03 0.00 0.49 0.00 0.00 39.34 40.10 1r9p n TYR 3 CO 0.00 0.00 0.00 -1.12 0.91 0.00 0.00 176.86 176.65 1r9p s SER 4 N -3.72 6.36 0.00 2.98 0.01 -1.26 -5.00 113.70 113.07 1r9p s SER 4 Ca -0.04 0.35 0.00 0.00 1.31 0.00 0.00 55.95 57.57 1r9p s SER 4 Cb 0.04 -1.99 0.00 0.00 0.21 0.00 0.00 66.02 64.28 1r9p s SER 4 CO 0.36 -0.08 0.00 1.21 0.41 0.00 0.00 173.24 175.14 1r9p n GLU 5 N -0.94 1.63 -1.63 12.44 4.07 -1.26 -5.05 120.64 129.90 1r9p n GLU 5 Ca -0.05 0.00 -0.56 0.00 -0.06 0.00 0.00 57.16 56.49 1r9p n GLU 5 Cb 0.55 -0.73 -0.07 0.00 -0.06 0.00 0.00 31.44 31.13 1r9p n GLU 5 CO 0.00 0.00 0.00 1.63 -0.06 0.00 0.00 177.13 178.70 1r9p n LYS 6 N -1.26 0.90 0.00 5.31 4.01 -1.26 -4.93 118.16 120.93 1r9p n LYS 6 Ca 0.00 0.33 0.00 0.00 -0.51 0.00 0.00 58.31 58.13 1r9p n LYS 6 Cb 0.23 -1.95 0.00 0.00 -0.51 0.00 0.00 35.03 32.80 1r9p n LYS 6 CO 0.00 0.00 0.00 1.33 -1.11 0.00 0.00 177.40 177.62 1r9p n VAL 7 N 3.12 0.00 0.00 -0.18 0.24 -1.26 -5.07 118.33 115.18 1r9p n VAL 7 Ca 0.22 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.52 1r9p n VAL 7 Cb 0.14 -1.00 0.00 0.00 -1.47 0.00 0.00 33.84 31.51 1r9p n VAL 7 CO 0.00 0.00 0.00 -0.38 -2.14 0.00 0.00 176.83 174.31 1r9p n ILE 8 N -1.01 0.00 -3.73 1.34 5.41 -1.26 -4.96 119.36 115.14 1r9p n ILE 8 Ca 0.00 0.00 -0.36 0.00 1.00 0.00 0.00 62.75 63.39 1r9p n ILE 8 Cb 0.00 -0.36 -0.10 0.00 -0.71 0.00 0.00 39.64 38.47 1r9p n ILE 8 CO 0.00 0.00 0.00 1.51 0.00 0.00 0.00 176.55 178.06 1r9p s ASP 9 N 0.15 5.22 0.39 4.38 -4.77 -1.26 -5.08 116.67 115.69 1r9p s ASP 9 Ca 0.00 -2.98 0.00 0.00 -3.30 0.00 0.00 52.55 46.27 1r9p s ASP 9 Cb 0.00 -1.84 0.00 0.00 -1.09 0.00 0.00 42.92 39.99 1r9p s ASP 9 CO 0.00 -0.33 0.00 0.00 0.70 0.00 0.00 175.17 175.54 1r9p n HIS 10 N 3.31 -1.02 -0.38 2.11 1.44 -1.26 -4.85 115.22 114.57 1r9p n HIS 10 Ca 0.09 0.00 0.12 0.00 -2.01 0.00 0.00 57.72 55.92 1r9p n HIS 10 Cb 0.37 0.00 0.32 0.00 0.12 0.00 0.00 29.99 30.80 1r9p n HIS 10 CO 0.00 0.00 0.00 2.48 -2.81 0.00 0.00 176.34 176.01 1r9p n TYR 11 N -1.87 1.00 0.00 -1.40 4.11 -1.26 -4.74 117.16 113.01 1r9p n TYR 11 Ca 0.00 -0.51 0.00 0.00 -0.00 0.00 0.00 57.90 57.39 1r9p n TYR 11 Cb 0.00 -0.01 0.00 0.00 -0.00 0.00 0.00 39.34 39.33 1r9p n TYR 11 CO 0.00 0.00 0.00 0.39 -0.00 0.00 0.00 176.86 177.25 1r9p n GLU 12 N 1.60 0.00 -2.77 -3.48 1.02 -1.26 -4.82 120.64 110.92 1r9p n GLU 12 Ca 0.24 0.00 -0.09 0.00 -0.02 0.00 0.00 57.16 57.29 1r9p n GLU 12 Cb 0.63 -0.40 0.05 0.00 -0.02 0.00 0.00 31.44 31.70 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 0.00 -2.60 -4.76 1.62 5.15 -1.26 -5.14 115.26 108.27 1r9p n ASN 13 Ca 0.00 -3.35 -0.41 0.00 -0.60 0.00 0.00 54.58 50.23 1r9p n ASN 13 Cb 0.00 1.70 0.01 0.00 -0.53 0.00 0.00 39.78 40.95 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 1.39 2.42 -3.88 1.20 -0.02 -1.26 -5.00 135.00 129.84 1r9p n PRO 14 Ca 0.09 0.86 -0.35 0.00 -2.02 0.00 0.00 63.50 62.07 1r9p n PRO 14 Cb 0.64 -2.61 -0.14 0.00 -0.02 0.00 0.00 33.50 31.37 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 -2.22 3.26 -0.24 -0.52 6.06 -1.26 -5.08 118.95 118.95 1r9p s ARG 15 Ca 0.57 -0.71 -0.10 0.00 -2.50 0.00 0.00 55.73 52.99 1r9p s ARG 15 Cb -0.48 -3.08 -0.05 0.00 0.06 0.00 0.00 34.95 31.41 1r9p s ARG 15 CO 0.61 -0.27 0.16 -0.80 -2.50 0.00 0.00 175.30 172.50 1r9p s ASN 16 N 1.47 6.08 0.31 -2.12 0.01 -1.26 -5.09 114.94 114.34 1r9p s ASN 16 Ca 0.04 0.10 0.07 0.00 -0.71 0.00 0.00 52.86 52.37 1r9p s ASN 16 Cb -0.15 -2.10 -0.03 0.00 0.41 0.00 0.00 41.25 39.39 1r9p s ASN 16 CO -0.02 0.06 0.30 -0.69 -1.51 0.00 0.00 177.10 175.24 1r9p s VAL 17 N 1.07 3.90 0.00 1.60 1.01 -1.26 -5.07 120.40 121.65 1r9p s VAL 17 Ca 0.07 -1.30 0.00 0.00 0.00 0.00 0.00 61.98 60.75 1r9p s VAL 17 Cb -0.14 -3.30 0.00 0.00 0.00 0.00 0.00 36.38 32.94 1r9p s VAL 17 CO 0.05 -0.22 0.46 0.61 0.00 0.00 0.00 175.10 176.00 1r9p n GLY 18 N -1.37 -1.35 1.92 4.51 0.00 -1.26 -5.03 105.19 102.60 1r9p n GLY 18 Ca -0.03 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.99 1r9p n GLY 18 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1r9p n SER 19 N -1.64 -9.05 -2.50 1.61 7.64 -1.26 -4.46 113.62 103.95 1r9p n SER 19 Ca 0.00 1.38 -0.17 0.00 1.01 0.00 0.00 58.87 61.09 1r9p n SER 19 Cb 0.00 -5.03 -0.00 0.00 -1.01 0.00 0.00 64.21 58.16 1r9p n SER 19 CO 0.00 0.00 0.00 -0.11 -3.01 0.00 0.00 175.04 171.92 1r9p n LEU 20 N 0.57 -1.61 -0.37 -3.43 7.94 -1.26 -4.81 117.00 114.03 1r9p n LEU 20 Ca 0.00 0.05 0.09 0.00 -1.11 0.00 0.00 56.01 55.04 1r9p n LEU 20 Cb 0.00 -2.55 -0.02 0.00 0.53 0.00 0.00 43.42 41.38 1r9p n LEU 20 CO 0.00 -0.13 0.23 -0.67 -1.11 0.00 0.00 177.39 175.71 1r9p n ASP 21 N -1.96 1.70 0.00 1.96 2.03 -1.26 -4.94 116.55 114.08 1r9p n ASP 21 Ca -0.18 -1.35 0.00 0.00 0.52 0.00 0.00 54.79 53.78 1r9p n ASP 21 Cb 0.64 0.56 0.00 0.00 -0.72 0.00 0.00 41.12 41.60 1r9p n ASP 21 CO 0.00 0.00 0.00 1.17 -1.92 0.00 0.00 177.20 176.45 1r9p n LYS 22 N -0.27 0.00 -0.12 -0.67 4.81 -1.26 -4.71 118.16 115.93 1r9p n LYS 22 Ca 0.07 0.00 0.08 0.00 -0.87 0.00 0.00 58.31 57.59 1r9p n LYS 22 Cb 0.39 -2.83 0.14 0.00 0.02 0.00 0.00 35.03 32.75 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 1.85 -4.05 1.64 5.02 -1.26 -5.01 118.16 114.36 1r9p n LYS 23 Ca 0.00 -2.44 -0.36 0.00 -2.02 0.00 0.00 58.31 53.49 1r9p n LYS 23 Cb 0.00 -1.47 -0.08 0.00 -0.02 0.00 0.00 35.03 33.46 1r9p n LYS 23 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1r9p s ASP 24 N -2.39 5.94 0.00 4.39 1.11 -1.26 -4.95 116.67 119.51 1r9p s ASP 24 Ca 0.29 0.32 0.00 0.00 0.18 0.00 0.00 52.55 53.34 1r9p s ASP 24 Cb 0.24 -1.87 0.00 0.00 1.07 0.00 0.00 42.92 42.37 1r9p s ASP 24 CO 0.04 0.37 0.62 -1.20 1.18 0.00 0.00 175.17 176.18 1r9p n SER 25 N 2.23 0.02 -0.90 0.27 7.64 -1.26 -2.47 113.62 119.15 1r9p n SER 25 Ca -0.19 -1.27 0.08 0.00 1.01 0.00 0.00 58.87 58.50 1r9p n SER 25 Cb 0.54 -0.01 0.26 0.00 -1.01 0.00 0.00 64.21 63.98 1r9p n SER 25 CO 0.00 0.00 0.00 0.59 -3.01 0.00 0.00 175.04 172.62 1r9p n ASN 26 N -0.47 3.79 -3.52 6.43 5.03 -1.26 -4.82 115.26 120.44 1r9p n ASN 26 Ca 0.00 -3.07 -0.29 0.00 0.87 0.00 0.00 54.58 52.09 1r9p n ASN 26 Cb 0.01 -0.55 -0.12 0.00 -1.02 0.00 0.00 39.78 38.09 1r9p n ASN 26 CO 0.00 0.00 0.00 -0.69 -1.83 0.00 0.00 177.26 174.74 1r9p s VAL 27 N -2.86 0.40 0.53 2.41 1.01 -1.03 -1.16 120.40 119.70 1r9p s VAL 27 Ca 0.42 -1.81 -0.22 0.00 0.00 0.00 0.00 61.98 60.37 1r9p s VAL 27 Cb 0.35 -1.29 -0.05 0.00 0.00 0.00 0.00 36.38 35.38 1r9p s VAL 27 CO 0.08 -0.95 1.35 -0.83 0.00 0.00 0.00 175.10 174.76 1r9p s GLY 28 N 1.01 2.88 -0.20 4.51 0.00 0.10 -4.77 107.32 110.84 1r9p s GLY 28 Ca 0.17 1.32 -0.03 0.00 0.00 0.00 0.00 44.72 46.18 1r9p s GLY 28 CO -0.02 1.84 0.05 -1.59 0.00 0.00 0.00 173.10 173.38 1r9p s THR 29 N -1.31 0.45 0.09 0.90 2.01 -1.25 -1.22 115.64 115.31 1r9p s THR 29 Ca 0.70 -0.58 0.03 0.00 0.31 0.00 0.00 61.69 62.15 1r9p s THR 29 Cb -0.40 -1.02 -0.04 0.00 0.01 0.00 0.00 72.50 71.05 1r9p s THR 29 CO 0.48 -0.28 0.07 -0.83 -0.69 0.00 0.00 174.62 173.38 1r9p s GLY 30 N 1.89 2.00 -0.08 4.40 0.00 0.47 -4.32 107.32 111.67 1r9p s GLY 30 Ca 0.01 -1.03 -0.04 0.00 0.00 0.00 0.00 44.72 43.65 1r9p s GLY 30 CO -0.11 -1.02 0.18 -0.29 0.00 0.00 0.00 173.10 171.87 1r9p s MET 31 N -2.42 0.11 0.07 2.90 0.00 -1.26 -2.06 119.30 116.64 1r9p s MET 31 Ca 0.29 0.48 -0.01 0.00 0.00 0.00 0.00 55.69 56.44 1r9p s MET 31 Cb -0.12 -0.17 -0.04 0.00 0.00 0.00 0.00 34.83 34.50 1r9p s MET 31 CO 0.22 -0.20 0.00 0.14 0.00 0.00 0.00 175.02 175.17 1r9p s VAL 32 N 1.52 0.19 0.28 10.11 -7.23 -0.95 -5.03 120.40 119.29 1r9p s VAL 32 Ca -0.06 -1.81 0.07 0.00 -1.81 0.00 0.00 61.98 58.36 1r9p s VAL 32 Cb -0.11 -1.65 -0.06 0.00 0.56 0.00 0.00 36.38 35.12 1r9p s VAL 32 CO -0.07 -0.85 -0.06 -0.83 -0.31 0.00 0.00 175.10 172.98 1r9p s GLY 33 N -2.95 1.85 -0.41 2.32 0.00 -1.26 -1.98 107.32 104.89 1r9p s GLY 33 Ca 0.11 -1.91 0.02 0.00 0.00 0.00 0.00 44.72 42.94 1r9p s GLY 33 CO -0.07 -1.85 0.28 0.00 0.00 0.00 0.00 173.10 171.46 1r9p s ALA 34 N -3.00 1.49 0.66 3.20 0.00 -0.86 -4.95 121.76 118.31 1r9p s ALA 34 Ca 0.30 -2.33 0.21 0.00 0.00 0.00 0.00 51.96 50.14 1r9p s ALA 34 Cb 0.04 -1.68 1.12 0.00 0.00 0.00 0.00 23.12 22.60 1r9p s ALA 34 CO 0.12 -2.05 1.63 -1.35 0.00 0.00 0.00 175.76 174.11 1r9p h PRO 35 N 6.36 0.00 0.21 0.00 0.11 -1.95 0.29 132.00 137.01 1r9p h PRO 35 Ca 0.13 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 66.23 1r9p h PRO 35 Cb 0.93 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.04 1r9p h PRO 35 CO 0.37 0.00 -0.10 0.00 -0.21 0.00 0.00 178.00 178.06 1r9p h ALA 36 N 0.92 -0.28 -0.50 -0.75 0.00 -1.96 -3.22 119.26 113.47 1r9p h ALA 36 Ca 0.02 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.73 1r9p h ALA 36 Cb 1.12 0.11 0.00 0.00 0.00 0.00 0.00 17.79 19.02 1r9p h ALA 36 CO -0.00 -0.45 0.00 0.00 0.00 0.00 0.00 179.25 178.80 1r9p n GLY 38 N 0.46 -0.43 3.22 0.00 0.00 0.87 -4.62 105.19 104.69 1r9p n GLY 38 Ca 0.25 0.23 -0.23 0.00 0.00 0.00 0.00 46.02 46.26 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 -3.96 2.20 -0.33 1.61 2.15 -1.18 -4.94 116.67 112.22 1r9p s ASP 39 Ca 0.23 -0.54 -0.09 0.00 0.43 0.00 0.00 52.55 52.57 1r9p s ASP 39 Cb -0.13 -0.15 0.01 0.00 -0.30 0.00 0.00 42.92 42.35 1r9p s ASP 39 CO 0.88 0.09 0.16 -0.69 -0.17 0.00 0.00 175.17 175.44 1r9p s VAL 40 N -0.91 4.43 -0.16 1.11 1.01 -1.26 -2.02 120.40 122.60 1r9p s VAL 40 Ca 0.05 -0.68 -0.09 0.00 0.00 0.00 0.00 61.98 61.26 1r9p s VAL 40 Cb -0.09 -3.36 -0.05 0.00 0.00 0.00 0.00 36.38 32.88 1r9p s VAL 40 CO 0.02 -0.06 0.14 -0.32 0.00 0.00 0.00 175.10 174.88 1r9p s MET 41 N 1.56 3.87 -0.08 2.72 1.75 -0.84 -4.39 119.30 123.90 1r9p s MET 41 Ca 0.03 -0.17 0.02 0.00 -1.25 0.00 0.00 55.69 54.32 1r9p s MET 41 Cb -0.18 -3.32 0.01 0.00 2.84 0.00 0.00 34.83 34.18 1r9p s MET 41 CO 0.06 0.50 -0.14 -1.14 -0.65 0.00 0.00 175.02 173.65 1r9p s GLN 42 N -0.24 1.91 0.01 4.11 0.74 -0.88 -2.25 119.66 123.06 1r9p s GLN 42 Ca 0.11 -0.48 0.05 0.00 0.05 0.00 0.00 55.36 55.09 1r9p s GLN 42 Cb -0.12 -1.57 -0.02 0.00 1.10 0.00 0.00 33.01 32.41 1r9p s GLN 42 CO 0.01 0.02 -0.14 -1.17 -0.55 0.00 0.00 175.29 173.46 1r9p s LEU 43 N 0.72 2.10 0.04 3.68 2.96 -0.87 -1.28 118.68 126.01 1r9p s LEU 43 Ca -0.13 -0.35 0.02 0.00 -0.22 0.00 0.00 54.13 53.44 1r9p s LEU 43 Cb -0.16 -0.67 -0.02 0.00 0.50 0.00 0.00 46.19 45.84 1r9p s LEU 43 CO 0.03 0.11 -0.06 -1.10 -1.32 0.00 0.00 176.35 174.00 1r9p s GLN 44 N -0.73 0.47 0.04 1.98 -0.21 -0.75 -0.40 119.66 120.06 1r9p s GLN 44 Ca 0.04 -0.73 0.03 0.00 0.02 0.00 0.00 55.36 54.71 1r9p s GLN 44 Cb -0.07 -0.17 -0.02 0.00 1.00 0.00 0.00 33.01 33.76 1r9p s GLN 44 CO 0.00 0.02 -0.09 0.96 -2.12 0.00 0.00 175.29 174.07 1r9p s ILE 45 N -1.48 0.62 -0.20 1.08 -4.36 -0.36 -1.24 121.20 115.26 1r9p s ILE 45 Ca -0.11 -0.98 -0.02 0.00 -0.26 0.00 0.00 60.65 59.28 1r9p s ILE 45 Cb -0.09 -0.65 0.00 0.00 1.25 0.00 0.00 42.46 42.97 1r9p s ILE 45 CO -0.00 -0.27 -0.10 -0.75 0.24 0.00 0.00 174.94 174.06 1r9p s LYS 46 N -1.36 3.25 -0.20 0.37 2.20 -0.48 0.02 119.74 123.54 1r9p s LYS 46 Ca -0.07 -0.70 -0.08 0.00 -0.36 0.00 0.00 55.97 54.77 1r9p s LYS 46 Cb -0.09 -2.83 -0.04 0.00 -1.51 0.00 0.00 37.83 33.36 1r9p s LYS 46 CO 0.01 -0.16 0.07 0.08 -0.36 0.00 0.00 175.35 174.99 1r9p s VAL 47 N 1.31 4.72 0.00 4.02 1.01 -0.31 -2.58 120.40 128.59 1r9p s VAL 47 Ca 0.04 -0.05 0.00 0.00 0.00 0.00 0.00 61.98 61.97 1r9p s VAL 47 Cb -0.14 -3.15 0.00 0.00 0.00 0.00 0.00 36.38 33.09 1r9p s VAL 47 CO -0.06 0.42 0.00 -0.67 0.00 0.00 0.00 175.10 174.79 1r9p n ASP 48 N 3.95 0.00 -0.79 3.32 2.03 -1.02 -4.78 116.55 119.27 1r9p n ASP 48 Ca -0.16 0.00 -0.02 0.00 0.52 0.00 0.00 54.79 55.13 1r9p n ASP 48 Cb 0.52 0.00 -0.02 0.00 -0.72 0.00 0.00 41.12 40.90 1r9p n ASP 48 CO 0.00 0.00 0.00 -0.67 -1.92 0.00 0.00 177.20 174.61 1r9p n ASP 49 N 0.00 -0.19 -0.24 1.67 -0.08 -1.26 -4.89 116.55 111.57 1r9p n ASP 49 Ca 0.00 -1.60 0.00 0.00 -1.51 0.00 0.00 54.79 51.68 1r9p n ASP 49 Cb 0.00 0.02 0.00 0.00 2.34 0.00 0.00 41.12 43.48 1r9p n ASP 49 CO 0.00 0.00 0.00 0.59 0.12 0.00 0.00 177.20 177.91 1r9p n ASN 50 N 0.06 0.00 0.00 1.67 3.02 -1.26 -4.98 115.26 113.78 1r9p n ASN 50 Ca -0.08 -1.38 0.00 0.00 -0.03 0.00 0.00 54.58 53.09 1r9p n ASN 50 Cb 0.68 -0.08 0.00 0.00 -0.61 0.00 0.00 39.78 39.77 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 0.40 3.52 7.41 0.00 -1.26 -5.01 105.19 110.24 1r9p n GLY 51 Ca 0.00 -0.97 -0.34 0.00 0.00 0.00 0.00 46.02 44.71 1r9p n GLY 51 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1r9p s ILE 52 N -2.00 3.96 -0.59 -0.61 -1.09 -1.26 -3.28 121.20 116.32 1r9p s ILE 52 Ca 0.00 -0.34 -0.23 0.00 -2.23 0.00 0.00 60.65 57.86 1r9p s ILE 52 Cb 0.00 -2.73 0.06 0.00 -1.58 0.00 0.00 42.46 38.21 1r9p s ILE 52 CO 0.00 0.50 0.90 -0.63 -1.23 0.00 0.00 174.94 174.48 1r9p s ILE 53 N 0.28 4.44 -0.10 2.92 1.01 -0.97 -2.42 121.20 126.37 1r9p s ILE 53 Ca -0.03 -0.15 -0.24 0.00 0.00 0.00 0.00 60.65 60.23 1r9p s ILE 53 Cb -0.14 -4.57 -0.28 0.00 0.01 0.00 0.00 42.46 37.48 1r9p s ILE 53 CO 0.03 -1.23 0.77 -0.33 0.00 0.00 0.00 174.94 174.18 1r9p h GLU 54 N 9.38 0.17 -5.43 2.79 5.08 -1.83 0.95 114.58 125.69 1r9p h GLU 54 Ca -0.28 -0.29 -0.49 0.00 -1.00 0.00 0.00 59.36 57.30 1r9p h GLU 54 Cb 1.08 0.11 -0.28 0.00 0.50 0.00 0.00 28.75 30.16 1r9p h GLU 54 CO 1.11 1.14 -0.81 -0.51 -1.00 0.00 0.00 179.01 178.94 1r9p s ASP 55 N -6.72 1.79 -0.06 1.42 1.01 -1.26 -4.54 116.67 108.31 1r9p s ASP 55 Ca -0.17 -0.34 0.02 0.00 0.71 0.00 0.00 52.55 52.76 1r9p s ASP 55 Cb 0.00 -0.17 0.02 0.00 1.01 0.00 0.00 42.92 43.78 1r9p s ASP 55 CO 0.76 0.14 -0.10 0.00 0.21 0.00 0.00 175.17 176.18 1r9p s ALA 56 N -0.52 1.12 0.31 5.23 0.00 -1.26 -1.38 121.76 125.25 1r9p s ALA 56 Ca 0.05 -0.33 0.06 0.00 0.00 0.00 0.00 51.96 51.74 1r9p s ALA 56 Cb -0.07 -0.56 -0.02 0.00 0.00 0.00 0.00 23.12 22.48 1r9p s ALA 56 CO 0.00 0.04 0.41 0.21 0.00 0.00 0.00 175.76 176.42 1r9p s LYS 57 N 0.81 3.11 0.18 0.00 2.47 -0.38 -4.98 119.74 120.95 1r9p s LYS 57 Ca -0.12 -1.01 -0.19 0.00 -1.56 0.00 0.00 55.97 53.09 1r9p s LYS 57 Cb -0.15 -2.77 0.04 0.00 -1.46 0.00 0.00 37.83 33.49 1r9p s LYS 57 CO 0.02 0.15 0.53 -0.59 0.16 0.00 0.00 175.35 175.62 1r9p s PHE 58 N -2.16 -0.26 -0.31 4.03 -0.71 -1.26 -1.82 117.98 115.49 1r9p s PHE 58 Ca 0.42 -0.04 0.01 0.00 -1.04 0.00 0.00 56.93 56.28 1r9p s PHE 58 Cb -0.09 0.44 0.19 0.00 -1.21 0.00 0.00 43.02 42.35 1r9p s PHE 58 CO 0.30 -0.88 0.72 0.21 -1.34 0.00 0.00 175.22 174.23 1r9p s LYS 59 N -3.83 0.47 -0.03 1.99 2.36 -0.41 -4.99 119.74 115.31 1r9p s LYS 59 Ca 0.06 0.34 -0.02 0.00 -2.55 0.00 0.00 55.97 53.80 1r9p s LYS 59 Cb -0.01 0.18 0.01 0.00 -1.05 0.00 0.00 37.83 36.96 1r9p s LYS 59 CO -0.07 -0.84 0.07 -0.08 1.55 0.00 0.00 175.35 175.97 1r9p s THR 60 N 2.72 -0.01 -0.25 3.43 -1.32 -1.26 -2.08 115.64 116.87 1r9p s THR 60 Ca 0.15 0.03 -0.11 0.00 -1.21 0.00 0.00 61.69 60.56 1r9p s THR 60 Cb -0.07 -0.11 0.10 0.00 -1.51 0.00 0.00 72.50 70.91 1r9p s THR 60 CO -0.23 0.01 0.57 -0.47 -2.21 0.00 0.00 174.62 172.30 1r9p s TYR 61 N 0.20 -1.05 0.00 9.09 6.14 -1.26 -4.92 117.35 125.55 1r9p s TYR 61 Ca -0.01 1.96 0.00 0.00 0.64 0.00 0.00 57.07 59.66 1r9p s TYR 61 Cb -0.02 0.58 0.00 0.00 0.42 0.00 0.00 41.96 42.93 1r9p s TYR 61 CO -0.01 -0.55 0.00 0.41 0.64 0.00 0.00 175.55 176.05 1r9p n GLY 62 N 5.00 0.76 3.74 8.97 0.00 -1.26 -4.61 105.19 117.78 1r9p n GLY 62 Ca -0.15 0.05 -0.40 0.00 0.00 0.00 0.00 46.02 45.53 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 2.40 1.53 0.01 0.00 0.00 -1.26 -3.15 105.19 104.72 1r9p n GLY 64 Ca -0.02 -0.02 -0.01 0.00 0.00 0.00 0.00 46.02 45.98 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 0.01 4.27 -1.18 1.61 3.41 -1.26 -4.58 113.62 115.91 1r9p n SER 65 Ca 0.01 0.00 0.11 0.00 -0.26 0.00 0.00 58.87 58.73 1r9p n SER 65 Cb 0.27 0.70 0.27 0.00 -0.26 0.00 0.00 64.21 65.19 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 -2.00 2.41 0.09 7.33 0.00 -1.19 -4.18 120.51 122.97 1r9p n ALA 66 Ca -0.04 -1.08 -0.22 0.00 0.00 0.00 0.00 53.44 52.10 1r9p n ALA 66 Cb 0.48 -0.93 -0.13 0.00 0.00 0.00 0.00 19.45 18.87 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 4.06 1.29 0.12 0.00 1.08 -1.80 -2.97 117.51 119.28 1r9p h ILE 67 Ca 0.00 -2.45 -0.17 0.00 -0.39 0.00 0.00 64.86 61.84 1r9p h ILE 67 Cb 0.91 2.72 0.02 0.00 -3.07 0.00 0.00 36.82 37.40 1r9p h ILE 67 CO 0.00 0.74 -0.79 0.00 -0.69 0.00 0.00 178.15 177.42 1r9p h ALA 68 N 0.27 -0.04 -0.39 1.87 0.00 -1.88 -3.34 119.26 115.75 1r9p h ALA 68 Ca -0.19 -0.73 0.07 0.00 0.00 0.00 0.00 54.91 54.07 1r9p h ALA 68 Cb 1.90 0.14 -0.07 0.00 0.00 0.00 0.00 17.79 19.76 1r9p h ALA 68 CO 0.23 0.39 -0.04 0.77 0.00 0.00 0.00 179.25 180.60 1r9p h SER 69 N -0.46 -0.24 -0.23 0.00 0.02 -1.73 -2.67 113.55 108.25 1r9p h SER 69 Ca -0.15 0.10 0.02 0.00 -0.84 0.00 0.00 61.79 60.92 1r9p h SER 69 Cb 1.57 0.19 -0.03 0.00 0.14 0.00 0.00 62.40 64.27 1r9p h SER 69 CO 0.12 -0.08 -0.13 -1.54 -1.14 0.00 0.00 176.83 174.05 1r9p n SER 70 N -5.24 -0.24 -0.35 3.07 3.41 -1.12 0.15 113.62 113.29 1r9p n SER 70 Ca 0.02 0.90 0.05 0.00 -0.26 0.00 0.00 58.87 59.58 1r9p n SER 70 Cb 0.21 -0.30 0.21 0.00 -0.26 0.00 0.00 64.21 64.07 1r9p n SER 70 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 175.04 175.16 1r9p h SER 71 N 0.00 0.92 0.00 4.04 0.02 -1.68 -1.74 113.55 115.11 1r9p h SER 71 Ca 0.04 0.04 0.00 0.00 -0.84 0.00 0.00 61.79 61.02 1r9p h SER 71 Cb 0.09 -0.15 0.00 0.00 0.14 0.00 0.00 62.40 62.48 1r9p h SER 71 CO -0.21 0.52 0.00 -0.11 -1.14 0.00 0.00 176.83 175.89 1r9p n LEU 72 N -4.61 0.02 -0.27 5.07 7.94 0.39 -1.74 117.00 123.81 1r9p n LEU 72 Ca 0.17 0.32 -0.07 0.00 -1.11 0.00 0.00 56.01 55.32 1r9p n LEU 72 Cb 0.29 0.00 -0.06 0.00 0.53 0.00 0.00 43.42 44.18 1r9p n LEU 72 CO 0.29 0.00 0.40 0.00 -1.11 0.00 0.00 177.39 176.96 1r9p n ILE 73 N -0.32 -0.43 -0.36 1.96 3.06 -0.14 0.19 119.36 123.31 1r9p n ILE 73 Ca 0.00 1.82 0.34 0.00 -2.50 0.00 0.00 62.75 62.40 1r9p n ILE 73 Cb 0.00 -2.27 0.61 0.00 0.54 0.00 0.00 39.64 38.52 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 0.02 0.00 9.51 1.35 -1.40 2.82 112.91 125.22 1r9p h THR 74 Ca 0.10 -0.01 0.00 0.00 -0.55 0.00 0.00 66.41 65.95 1r9p h THR 74 Cb 0.26 -0.00 0.00 0.00 -1.73 0.00 0.00 68.15 66.68 1r9p h THR 74 CO -0.60 0.00 -0.47 -0.33 -0.25 0.00 0.00 175.52 173.88 1r9p h GLU 75 N 0.02 0.00 -0.01 4.72 4.39 0.29 -3.25 114.58 120.74 1r9p h GLU 75 Ca 0.85 0.00 0.00 0.00 0.34 0.00 0.00 59.36 60.55 1r9p h GLU 75 Cb 2.36 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 31.01 1r9p h GLU 75 CO -0.69 0.00 -0.29 1.87 -1.16 0.00 0.00 179.01 178.75 1r9p n TRP 76 N -2.22 0.00 -1.12 4.33 -0.00 0.93 -3.83 117.44 115.52 1r9p n TRP 76 Ca 0.04 0.00 0.10 0.00 -0.00 0.00 0.00 57.50 57.63 1r9p n TRP 76 Cb 0.45 -0.13 0.14 0.00 -0.00 0.00 0.00 31.31 31.77 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 -0.70 1.88 -3.20 5.87 0.24 -0.19 -4.83 118.33 117.40 1r9p n VAL 77 Ca 0.11 -2.31 -0.46 0.00 -2.04 0.00 0.00 64.34 59.65 1r9p n VAL 77 Cb 0.35 -0.23 -0.02 0.00 -1.47 0.00 0.00 33.84 32.48 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 -2.86 3.72 0.00 7.34 2.20 -1.24 -3.93 119.74 124.98 1r9p s LYS 78 Ca 0.32 -2.40 0.00 0.00 -0.36 0.00 0.00 55.97 53.53 1r9p s LYS 78 Cb 0.28 -4.62 0.00 0.00 -1.51 0.00 0.00 37.83 31.98 1r9p s LYS 78 CO 0.02 -1.44 0.00 0.41 -0.36 0.00 0.00 175.35 173.98 1r9p n GLY 79 N 4.20 0.65 3.94 5.54 0.00 0.33 -4.97 105.19 114.88 1r9p n GLY 79 Ca 0.20 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.97 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 0.00 2.63 0.53 1.61 1.02 -1.25 -4.75 119.74 119.52 1r9p s LYS 80 Ca 0.00 -0.38 0.09 0.00 0.02 0.00 0.00 55.97 55.70 1r9p s LYS 80 Cb 0.00 -2.35 0.06 0.00 -0.52 0.00 0.00 37.83 35.02 1r9p s LYS 80 CO 0.00 -0.79 0.67 -1.12 -0.92 0.00 0.00 175.35 173.19 1r9p s SER 81 N -4.39 5.17 0.56 2.83 0.01 -1.26 -2.28 113.70 114.34 1r9p s SER 81 Ca 0.56 -0.79 0.34 0.00 1.31 0.00 0.00 55.95 57.37 1r9p s SER 81 Cb -0.10 0.04 1.60 0.00 0.21 0.00 0.00 66.02 67.76 1r9p s SER 81 CO 0.42 -1.14 2.08 -0.07 0.41 0.00 0.00 173.24 174.94 1r9p h LEU 82 N 0.40 0.00 -0.31 2.44 3.38 -1.95 -1.75 115.31 117.52 1r9p h LEU 82 Ca -0.34 0.00 -0.16 0.00 0.09 0.00 0.00 57.88 57.48 1r9p h LEU 82 Cb 1.29 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 42.03 1r9p h LEU 82 CO 0.45 0.05 -0.43 -0.08 0.09 0.00 0.00 178.44 178.52 1r9p h GLU 83 N 0.00 0.83 0.00 1.13 4.81 -1.92 0.13 114.58 119.57 1r9p h GLU 83 Ca -0.00 -0.48 -0.00 0.00 -0.13 0.00 0.00 59.36 58.75 1r9p h GLU 83 Cb 0.38 0.04 0.00 0.00 0.63 0.00 0.00 28.75 29.80 1r9p h GLU 83 CO 0.01 1.12 -0.00 0.93 -0.73 0.00 0.00 179.01 180.34 1r9p h GLU 84 N 0.61 -0.00 0.00 1.92 5.08 -1.86 -3.25 114.58 117.07 1r9p h GLU 84 Ca 0.03 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.39 1r9p h GLU 84 Cb 1.02 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.27 1r9p h GLU 84 CO 0.10 0.88 0.00 0.00 -1.00 0.00 0.00 179.01 178.99 1r9p n ALA 85 N -2.62 1.56 -0.89 3.43 0.00 -0.69 -1.95 120.51 119.35 1r9p n ALA 85 Ca -0.09 0.10 -0.10 0.00 0.00 0.00 0.00 53.44 53.34 1r9p n ALA 85 Cb 0.42 -1.37 0.24 0.00 0.00 0.00 0.00 19.45 18.75 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 -0.21 3.69 0.43 0.00 0.00 0.45 -4.09 105.19 105.45 1r9p n GLY 86 Ca 0.02 -0.92 0.00 0.00 0.00 0.00 0.00 46.02 45.11 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 -0.36 1.86 -1.90 4.61 0.00 -0.82 -4.94 120.51 118.95 1r9p n ALA 87 Ca 0.42 -0.01 -0.29 0.00 0.00 0.00 0.00 53.44 53.56 1r9p n ALA 87 Cb 1.38 -0.00 0.11 0.00 0.00 0.00 0.00 19.45 20.93 1r9p n ALA 87 CO 0.00 0.00 0.00 0.96 0.00 0.00 0.00 177.50 178.46 1r9p s ILE 88 N 0.00 2.00 -0.00 0.00 -4.36 -1.14 -5.05 121.20 112.65 1r9p s ILE 88 Ca 0.00 0.00 0.02 0.00 -0.26 0.00 0.00 60.65 60.41 1r9p s ILE 88 Cb 0.00 -3.00 -0.00 0.00 1.25 0.00 0.00 42.46 40.71 1r9p s ILE 88 CO 0.00 0.00 -0.05 -0.54 0.24 0.00 0.00 174.94 174.59 1r9p s LYS 89 N -5.63 0.41 0.51 0.37 1.02 -1.26 -5.01 119.74 110.14 1r9p s LYS 89 Ca 0.64 -0.21 0.29 0.00 0.02 0.00 0.00 55.97 56.71 1r9p s LYS 89 Cb -0.10 -0.38 1.28 0.00 -0.52 0.00 0.00 37.83 38.11 1r9p s LYS 89 CO 0.50 0.10 1.97 -2.95 -0.92 0.00 0.00 175.35 174.05 1r9p h ASN 90 N 5.94 0.00 -0.78 2.83 7.08 -1.91 -2.77 115.58 125.97 1r9p h ASN 90 Ca -0.28 0.00 0.10 0.00 -3.08 0.00 0.00 56.30 53.03 1r9p h ASN 90 Cb 1.19 0.00 -0.05 0.00 -2.08 0.00 0.00 38.32 37.38 1r9p h ASN 90 CO 0.50 0.13 0.51 0.28 -2.08 0.00 0.00 177.43 176.77 1r9p h SER 91 N 0.00 0.64 0.30 6.14 0.02 -1.95 -1.03 113.55 117.67 1r9p h SER 91 Ca -0.00 0.02 -0.01 0.00 -0.84 0.00 0.00 61.79 60.95 1r9p h SER 91 Cb 0.52 -0.12 0.00 0.00 0.14 0.00 0.00 62.40 62.94 1r9p h SER 91 CO 0.02 0.38 -0.14 -0.61 -1.14 0.00 0.00 176.83 175.34 1r9p h GLN 92 N 0.71 -0.38 -0.99 3.45 4.15 -1.92 -1.16 115.11 118.96 1r9p h GLN 92 Ca 0.36 0.03 0.27 0.00 0.77 0.00 0.00 58.65 60.08 1r9p h GLN 92 Cb 0.45 0.09 -0.14 0.00 0.21 0.00 0.00 27.48 28.09 1r9p h GLN 92 CO -0.13 -0.19 0.55 0.82 -1.93 0.00 0.00 178.83 177.95 1r9p h ILE 93 N -1.08 0.42 -0.10 2.39 2.04 -1.57 0.13 117.51 119.75 1r9p h ILE 93 Ca -0.04 -0.15 -0.17 0.00 1.00 0.00 0.00 64.86 65.50 1r9p h ILE 93 Cb 0.37 -0.06 0.01 0.00 -0.74 0.00 0.00 36.82 36.40 1r9p h ILE 93 CO 0.07 0.08 -0.60 0.00 0.00 0.00 0.00 178.15 177.70 1r9p h ALA 94 N 1.78 0.21 -0.27 1.87 0.00 -1.23 -2.60 119.26 119.03 1r9p h ALA 94 Ca 0.67 -0.54 0.07 0.00 0.00 0.00 0.00 54.91 55.11 1r9p h ALA 94 Cb 1.39 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 19.17 1r9p h ALA 94 CO -0.54 0.47 0.19 1.49 0.00 0.00 0.00 179.25 180.85 1r9p h GLU 95 N 0.22 0.04 0.25 0.00 4.22 0.52 3.35 114.58 123.18 1r9p h GLU 95 Ca -0.05 -0.00 -0.33 0.00 0.08 0.00 0.00 59.36 59.06 1r9p h GLU 95 Cb 1.25 -0.01 0.04 0.00 0.50 0.00 0.00 28.75 30.53 1r9p h GLU 95 CO 0.12 0.03 -1.46 1.49 -2.18 0.00 0.00 179.01 177.01 1r9p h GLU 96 N 0.04 0.52 -0.01 1.92 4.81 -1.15 -3.29 114.58 117.42 1r9p h GLU 96 Ca 0.12 -0.89 0.00 0.00 -0.13 0.00 0.00 59.36 58.47 1r9p h GLU 96 Cb 0.45 0.33 0.00 0.00 0.63 0.00 0.00 28.75 30.16 1r9p h GLU 96 CO -0.01 1.42 -0.39 1.28 -0.73 0.00 0.00 179.01 180.59 1r9p n LEU 97 N -3.70 1.53 -4.39 1.64 4.77 -0.70 -4.94 117.00 111.21 1r9p n LEU 97 Ca -0.16 -0.52 -0.36 0.00 -0.03 0.00 0.00 56.01 54.94 1r9p n LEU 97 Cb 1.10 -0.06 -0.08 0.00 -2.33 0.00 0.00 43.42 42.05 1r9p n LEU 97 CO 0.60 0.29 -0.28 1.21 -1.33 0.00 0.00 177.39 177.88 1r9p n GLU 98 N -0.36 -1.20 -2.38 3.23 4.07 1.11 -4.86 120.64 120.25 1r9p n GLU 98 Ca 0.10 0.16 -0.34 0.00 -0.06 0.00 0.00 57.16 57.03 1r9p n GLU 98 Cb 0.41 -4.29 -0.02 0.00 -0.06 0.00 0.00 31.44 27.48 1r9p n GLU 98 CO 0.00 0.00 0.00 -0.48 -0.06 0.00 0.00 177.13 176.59 1r9p s LEU 99 N -7.29 3.74 -0.51 4.31 0.05 -1.22 -4.86 118.68 112.90 1r9p s LEU 99 Ca 0.44 1.92 -0.42 0.00 0.05 0.00 0.00 54.13 56.12 1r9p s LEU 99 Cb -0.25 -4.56 -0.18 0.00 -2.05 0.00 0.00 46.19 39.15 1r9p s LEU 99 CO 1.00 -0.93 2.18 -2.65 -0.55 0.00 0.00 176.35 175.40 1r9p n PRO 100 N -1.28 0.10 0.00 1.48 -0.02 -1.26 -4.89 135.00 129.12 1r9p n PRO 100 Ca 0.09 0.03 0.00 0.00 -2.02 0.00 0.00 63.50 61.60 1r9p n PRO 100 Cb 0.52 -1.59 0.00 0.00 -0.02 0.00 0.00 33.50 32.41 1r9p n PRO 100 CO 0.00 0.00 0.00 -0.35 1.98 0.00 0.00 175.50 177.13 1r9p n PRO 101 N 7.62 0.00 0.00 0.52 -0.04 -1.26 -4.60 135.00 137.24 1r9p n PRO 101 Ca 0.54 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 64.01 1r9p n PRO 101 Cb -0.01 -0.51 0.00 0.00 -0.04 0.00 0.00 33.50 32.94 1r9p n PRO 101 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 1r9p n VAL 102 N -0.51 0.00 0.08 0.52 0.31 -1.26 0.12 118.33 117.60 1r9p n VAL 102 Ca 0.00 0.00 0.01 0.00 -0.01 0.00 0.00 64.34 64.34 1r9p n VAL 102 Cb 0.00 0.00 -0.00 0.00 -0.91 0.00 0.00 33.84 32.93 1r9p n VAL 102 CO 0.00 0.00 0.00 0.29 -1.32 0.00 0.00 176.83 175.80 1r9p n LYS 103 N 0.00 3.70 -3.78 5.55 5.02 -1.26 -5.03 118.16 122.37 1r9p n LYS 103 Ca 0.00 -0.24 -0.35 0.00 -2.02 0.00 0.00 58.31 55.70 1r9p n LYS 103 Cb 0.00 -0.76 0.04 0.00 -0.02 0.00 0.00 35.03 34.29 1r9p n LYS 103 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 1r9p n VAL 104 N -0.60 -5.06 -0.01 -0.18 0.31 0.32 -4.89 118.33 108.22 1r9p n VAL 104 Ca 0.01 -0.86 -0.20 0.00 -0.01 0.00 0.00 64.34 63.28 1r9p n VAL 104 Cb 0.04 -3.82 -0.14 0.00 -0.91 0.00 0.00 33.84 29.01 1r9p n VAL 104 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1r9p n HIS 105 N -4.38 1.10 0.05 3.52 1.44 -1.26 -3.86 115.22 111.82 1r9p n HIS 105 Ca -0.10 0.25 -0.02 0.00 -2.01 0.00 0.00 57.72 55.84 1r9p n HIS 105 Cb 0.58 -1.15 -0.01 0.00 0.12 0.00 0.00 29.99 29.53 1r9p n HIS 105 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 1r9p n SER 107 N -2.73 -0.38 -0.31 0.00 3.41 -1.26 0.20 113.62 112.54 1r9p n SER 107 Ca -0.02 1.15 0.17 0.00 -0.26 0.00 0.00 58.87 59.92 1r9p n SER 107 Cb 0.05 -0.34 0.36 0.00 -0.26 0.00 0.00 64.21 64.02 1r9p n SER 107 CO 0.00 0.00 0.00 0.40 -0.16 0.00 0.00 175.04 175.28 1r9p h ILE 108 N 0.00 0.28 -0.81 -1.33 2.04 -1.69 1.26 117.51 117.26 1r9p h ILE 108 Ca 0.06 -0.08 0.01 0.00 1.00 0.00 0.00 64.86 65.85 1r9p h ILE 108 Cb 0.15 0.04 -0.04 0.00 -0.74 0.00 0.00 36.82 36.22 1r9p h ILE 108 CO -0.34 0.04 0.54 0.25 0.00 0.00 0.00 178.15 178.64 1r9p h LEU 109 N 0.22 0.93 0.40 1.44 5.85 0.29 -1.47 115.31 122.97 1r9p h LEU 109 Ca 0.62 -0.02 -0.01 0.00 0.84 0.00 0.00 57.88 59.31 1r9p h LEU 109 Cb 1.34 -0.23 -0.01 0.00 0.37 0.00 0.00 40.66 42.12 1r9p h LEU 109 CO -0.66 0.67 -0.30 0.00 -0.34 0.00 0.00 178.44 177.81 1r9p h ALA 110 N 1.50 -0.69 0.67 1.25 0.00 0.42 0.12 119.26 122.52 1r9p h ALA 110 Ca 0.30 -0.12 -0.03 0.00 0.00 0.00 0.00 54.91 55.05 1r9p h ALA 110 Cb -0.12 0.39 -0.01 0.00 0.00 0.00 0.00 17.79 18.05 1r9p h ALA 110 CO -0.07 -0.91 -0.46 1.49 0.00 0.00 0.00 179.25 179.30 1r9p h GLU 111 N -0.69 -1.04 -1.29 0.00 4.22 -1.14 -0.74 114.58 113.91 1r9p h GLU 111 Ca -0.04 0.07 0.37 0.00 0.08 0.00 0.00 59.36 59.85 1r9p h GLU 111 Cb 0.59 0.24 -0.07 0.00 0.50 0.00 0.00 28.75 30.01 1r9p h GLU 111 CO 0.01 -0.69 0.91 0.22 -2.18 0.00 0.00 179.01 177.27 1r9p h ASP 112 N -1.08 0.09 0.31 1.04 1.82 -1.21 0.28 116.42 117.67 1r9p h ASP 112 Ca -0.09 0.02 -0.02 0.00 -0.39 0.00 0.00 57.03 56.56 1r9p h ASP 112 Cb 0.88 0.01 0.00 0.00 0.68 0.00 0.00 39.33 40.90 1r9p h ASP 112 CO 0.06 -0.00 -0.15 0.00 -1.61 0.00 0.00 179.24 177.53 1r9p h ALA 113 N 1.40 -0.42 -1.01 -0.78 0.00 0.76 0.55 119.26 119.77 1r9p h ALA 113 Ca 0.64 -0.11 0.22 0.00 0.00 0.00 0.00 54.91 55.66 1r9p h ALA 113 Cb 2.39 0.16 -0.12 0.00 0.00 0.00 0.00 17.79 20.23 1r9p h ALA 113 CO -0.08 -0.70 0.60 0.97 0.00 0.00 0.00 179.25 180.04 1r9p h ILE 114 N -0.48 0.61 0.00 0.00 6.09 -0.02 1.23 117.51 124.94 1r9p h ILE 114 Ca -0.04 -0.23 -0.03 0.00 -1.37 0.00 0.00 64.86 63.19 1r9p h ILE 114 Cb 0.36 -0.11 -0.00 0.00 0.47 0.00 0.00 36.82 37.54 1r9p h ILE 114 CO 0.07 0.12 -0.14 0.50 -3.07 0.00 0.00 178.15 175.63 1r9p h LYS 115 N 0.66 0.00 0.42 2.19 3.64 -1.09 -2.45 116.57 119.94 1r9p h LYS 115 Ca 0.62 0.00 -0.02 0.00 -1.27 0.00 0.00 60.65 59.97 1r9p h LYS 115 Cb 1.08 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.91 1r9p h LYS 115 CO -0.43 0.14 -0.20 0.00 -2.27 0.00 0.00 179.45 176.69 1r9p h ALA 116 N 1.86 -0.60 -0.54 5.00 0.00 0.38 0.06 119.26 125.41 1r9p h ALA 116 Ca -0.00 -0.12 0.04 0.00 0.00 0.00 0.00 54.91 54.83 1r9p h ALA 116 Cb 0.76 0.22 -0.03 0.00 0.00 0.00 0.00 17.79 18.73 1r9p h ALA 116 CO 0.02 -0.56 0.36 0.00 0.00 0.00 0.00 179.25 179.07 1r9p h ALA 117 N -1.24 1.76 -0.30 0.00 0.00 -1.44 -1.48 119.26 116.56 1r9p h ALA 117 Ca -0.06 -0.02 -0.08 0.00 0.00 0.00 0.00 54.91 54.75 1r9p h ALA 117 Cb 0.43 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.05 1r9p h ALA 117 CO 0.09 0.17 -0.14 0.82 0.00 0.00 0.00 179.25 180.20 1r9p h ILE 118 N 0.59 1.29 -0.40 0.00 2.04 -1.45 -0.35 117.51 119.23 1r9p h ILE 118 Ca 0.22 -1.23 0.00 0.00 1.00 0.00 0.00 64.86 64.86 1r9p h ILE 118 Cb 0.14 1.45 -0.02 0.00 -0.74 0.00 0.00 36.82 37.65 1r9p h ILE 118 CO -0.06 0.39 0.26 0.00 0.00 0.00 0.00 178.15 178.74 1r9p h ALA 119 N 0.76 0.51 0.00 1.87 0.00 -0.10 -1.24 119.26 121.07 1r9p h ALA 119 Ca 0.07 -0.04 -0.05 0.00 0.00 0.00 0.00 54.91 54.89 1r9p h ALA 119 Cb 0.66 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.28 1r9p h ALA 119 CO 0.04 -0.03 -0.24 -0.44 0.00 0.00 0.00 179.25 178.59 1r9p h ASP 120 N 0.54 0.00 0.34 0.00 3.32 -1.22 -1.96 116.42 117.44 1r9p h ASP 120 Ca 0.15 0.00 -0.02 0.00 0.02 0.00 0.00 57.03 57.18 1r9p h ASP 120 Cb -0.05 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.51 1r9p h ASP 120 CO -0.03 0.24 -0.17 0.22 -1.72 0.00 0.00 179.24 177.78 1r9p h TYR 121 N 0.00 -0.43 -0.13 4.55 3.20 0.12 -2.93 116.97 121.35 1r9p h TYR 121 Ca -0.00 -0.01 0.04 0.00 3.14 0.00 0.00 58.73 61.89 1r9p h TYR 121 Cb 0.58 0.14 -0.01 0.00 1.54 0.00 0.00 36.73 38.98 1r9p h TYR 121 CO 0.00 -0.27 0.14 1.57 -1.64 0.00 0.00 178.16 177.97 1r9p h LYS 122 N -0.62 0.00 -0.31 1.82 2.10 -1.43 -1.66 116.57 116.47 1r9p h LYS 122 Ca -0.05 0.00 0.03 0.00 -2.00 0.00 0.00 60.65 58.64 1r9p h LYS 122 Cb 0.35 0.00 -0.03 0.00 -0.90 0.00 0.00 32.23 31.65 1r9p h LYS 122 CO 0.08 0.00 0.11 0.00 -2.00 0.00 0.00 179.45 177.63 1r9p h ALA 123 N 1.83 0.35 0.00 0.07 0.00 -1.20 0.19 119.26 120.50 1r9p h ALA 123 Ca 0.06 0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.00 1r9p h ALA 123 Cb 0.35 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.15 1r9p h ALA 123 CO -0.00 -0.29 0.00 1.63 0.00 0.00 0.00 179.25 180.59 1r9p n LYS 124 N -5.02 0.76 -0.02 0.00 4.01 -0.63 -2.36 118.16 114.90 1r9p n LYS 124 Ca -0.00 0.00 0.02 0.00 -0.51 0.00 0.00 58.31 57.82 1r9p n LYS 124 Cb 0.11 -1.22 0.02 0.00 -0.51 0.00 0.00 35.03 33.43 1r9p n LYS 124 CO 0.00 0.00 0.00 0.94 -1.11 0.00 0.00 177.40 177.23 1r9p n GLN 125 N -0.13 0.46 0.00 1.97 7.27 0.65 -4.54 117.38 123.05 1r9p n GLN 125 Ca 0.00 -0.97 0.12 0.00 0.07 0.00 0.00 57.00 56.22 1r9p n GLN 125 Cb 0.11 -1.07 0.70 0.00 2.41 0.00 0.00 30.24 32.39 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 0.08 -0.82 3.59 1.69 0.00 -1.00 -4.85 105.19 103.87 1r9p n GLY 126 Ca 0.02 -0.14 -0.26 0.00 0.00 0.00 0.00 46.02 45.64 1r9p n GLY 126 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1r9p n LEU 127 N -1.06 -2.76 -4.20 0.99 7.94 -1.26 -4.96 117.00 111.69 1r9p n LEU 127 Ca 0.17 -0.57 -0.34 0.00 -1.11 0.00 0.00 56.01 54.16 1r9p n LEU 127 Cb 0.10 -2.75 -0.15 0.00 0.53 0.00 0.00 43.42 41.15 1r9p n LEU 127 CO 0.15 0.46 -0.45 -1.61 -1.11 0.00 0.00 177.39 174.82 1r9p s GLU 128 N -6.29 3.11 0.14 1.96 2.02 -1.26 -5.11 118.70 113.27 1r9p s GLU 128 Ca 0.55 -0.78 0.09 0.00 0.02 0.00 0.00 54.97 54.85 1r9p s GLU 128 Cb -0.26 -2.81 -0.04 0.00 0.10 0.00 0.00 34.13 31.12 1r9p s GLU 128 CO 0.68 -0.24 -0.21 -1.01 0.02 0.00 0.00 175.26 174.49 1r9p s HIS 129 N 1.37 1.96 0.00 1.61 3.76 -1.26 -5.02 115.29 117.70 1r9p s HIS 129 Ca 0.04 -0.42 0.00 0.00 -0.15 0.00 0.00 55.06 54.53 1r9p s HIS 129 Cb -0.14 -1.02 0.00 0.00 1.11 0.00 0.00 32.58 32.53 1r9p s HIS 129 CO -0.08 0.32 0.00 1.58 -0.85 0.00 0.00 174.74 175.71 1r9p n HIS 130 N 0.63 -0.15 -1.44 1.40 -0.00 -1.26 -5.06 115.22 109.36 1r9p n HIS 130 Ca -0.16 0.00 -0.59 0.00 -0.00 0.00 0.00 57.72 56.97 1r9p n HIS 130 Cb 0.55 0.12 -0.10 0.00 -0.00 0.00 0.00 29.99 30.56 1r9p n HIS 130 CO 0.00 0.00 0.00 0.72 -0.00 0.00 0.00 176.34 177.06 1r9p n HIS 131 N -1.74 1.47 0.95 1.57 8.25 -1.26 -4.76 115.22 119.70 1r9p n HIS 131 Ca 0.00 0.70 0.11 0.00 -0.26 0.00 0.00 57.72 58.28 1r9p n HIS 131 Cb 0.00 -2.35 0.09 0.00 1.12 0.00 0.00 29.99 28.85 1r9p n HIS 131 CO 0.00 0.00 0.00 1.58 0.64 0.00 0.00 176.34 178.56 1r9p n HIS 132 N 7.12 0.00 -0.08 4.41 -0.00 -1.26 -4.40 115.22 121.01 1r9p n HIS 132 Ca 0.44 0.00 -0.22 0.00 0.46 0.00 0.00 57.72 58.40 1r9p n HIS 132 Cb 0.03 0.00 -0.12 0.00 -0.12 0.00 0.00 29.99 29.78 1r9p n HIS 132 CO 0.00 0.00 0.00 1.58 0.46 0.00 0.00 176.34 178.38 1r9p n HIS 133 N 1.25 1.05 -0.66 1.57 -0.00 -1.26 -5.35 115.22 111.83 1r9p n HIS 133 Ca 0.13 0.39 0.00 0.00 -0.00 0.00 0.00 57.72 58.24 1r9p n HIS 133 Cb 0.57 -1.11 0.00 0.00 -0.00 0.00 0.00 29.99 29.45 1r9p n HIS 133 CO 0.00 0.00 0.00 1.58 -0.00 0.00 0.00 176.34 177.92