#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 1.20 -0.03 -5.12 0.00 -1.26 -4.89 120.51 110.42 1r9p n ALA 2 Ca 0.00 0.00 -0.15 0.00 0.00 0.00 0.00 53.44 53.29 1r9p n ALA 2 Cb 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 19.35 1r9p n ALA 2 CO 0.00 0.00 0.00 -0.92 0.00 0.00 0.00 177.50 176.58 1r9p h TYR 3 N 0.00 0.29 -3.48 0.00 5.03 -2.09 -3.43 116.97 113.29 1r9p h TYR 3 Ca 0.00 -0.14 -0.60 0.00 2.58 0.00 0.00 58.73 60.58 1r9p h TYR 3 Cb 0.00 -0.04 -0.38 0.00 1.55 0.00 0.00 36.73 37.86 1r9p h TYR 3 CO 0.00 0.87 -0.80 -1.54 -1.32 0.00 0.00 178.16 175.38 1r9p s SER 4 N -6.25 3.44 0.00 -2.11 1.04 -1.26 -4.85 113.70 103.71 1r9p s SER 4 Ca -0.15 -0.95 0.00 0.00 0.48 0.00 0.00 55.95 55.33 1r9p s SER 4 Cb 0.02 -1.12 0.00 0.00 0.10 0.00 0.00 66.02 65.02 1r9p s SER 4 CO 0.74 -0.19 0.00 1.21 0.98 0.00 0.00 173.24 175.98 1r9p n GLU 5 N 4.73 0.00 -2.75 4.02 2.13 -1.26 -3.46 120.64 124.05 1r9p n GLU 5 Ca -0.13 0.00 -0.00 0.00 0.66 0.00 0.00 57.16 57.69 1r9p n GLU 5 Cb 0.46 0.00 0.00 0.00 0.27 0.00 0.00 31.44 32.17 1r9p n GLU 5 CO 0.00 0.00 0.00 1.17 -0.41 0.00 0.00 177.13 177.89 1r9p n LYS 6 N -0.69 -3.35 -4.20 5.31 4.81 -1.26 -4.99 118.16 113.79 1r9p n LYS 6 Ca 0.00 2.70 -0.35 0.00 -0.87 0.00 0.00 58.31 59.80 1r9p n LYS 6 Cb 0.00 -5.20 -0.08 0.00 0.02 0.00 0.00 35.03 29.76 1r9p n LYS 6 CO 0.00 0.00 0.00 0.54 1.17 0.00 0.00 177.40 179.11 1r9p s VAL 7 N -1.63 4.64 -0.12 3.15 0.11 -1.26 -5.10 120.40 120.20 1r9p s VAL 7 Ca 0.01 -0.22 -0.04 0.00 -2.93 0.00 0.00 61.98 58.80 1r9p s VAL 7 Cb -0.00 -3.02 0.06 0.00 -1.53 0.00 0.00 36.38 31.89 1r9p s VAL 7 CO 0.75 0.53 0.21 0.27 -3.33 0.00 0.00 175.10 173.53 1r9p s ILE 8 N -1.00 -0.33 0.00 7.04 -4.36 -1.26 -5.10 121.20 116.19 1r9p s ILE 8 Ca 0.16 0.27 0.00 0.00 -0.26 0.00 0.00 60.65 60.82 1r9p s ILE 8 Cb -0.12 -0.40 0.00 0.00 1.25 0.00 0.00 42.46 43.19 1r9p s ILE 8 CO 0.06 0.09 0.00 -0.90 0.24 0.00 0.00 174.94 174.43 1r9p n ASP 9 N 5.34 0.00 -3.68 4.36 5.75 -1.26 -5.08 116.55 121.98 1r9p n ASP 9 Ca -0.05 0.00 -0.15 0.00 -0.01 0.00 0.00 54.79 54.58 1r9p n ASP 9 Cb 0.50 0.00 -0.08 0.00 -1.03 0.00 0.00 41.12 40.51 1r9p n ASP 9 CO 0.00 0.00 0.00 -2.28 -0.11 0.00 0.00 177.20 174.81 1r9p s HIS 10 N 0.08 -0.33 0.00 2.11 5.65 -1.26 -5.17 115.29 116.37 1r9p s HIS 10 Ca 0.00 0.53 0.00 0.00 0.25 0.00 0.00 55.06 55.84 1r9p s HIS 10 Cb 0.00 0.20 0.00 0.00 -1.18 0.00 0.00 32.58 31.60 1r9p s HIS 10 CO 0.00 -0.47 0.00 0.66 -0.65 0.00 0.00 174.74 174.28 1r9p n TYR 11 N 1.12 0.00 -1.47 3.88 4.02 -1.26 -5.17 117.16 118.27 1r9p n TYR 11 Ca -0.21 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.68 1r9p n TYR 11 Cb 0.56 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.88 1r9p n TYR 11 CO 0.00 0.00 0.00 -0.85 -1.01 0.00 0.00 176.86 175.00 1r9p n GLU 12 N 0.00 2.33 -4.16 -0.72 0.28 -1.26 -5.11 120.64 112.01 1r9p n GLU 12 Ca 0.00 0.00 -0.27 0.00 -0.16 0.00 0.00 57.16 56.73 1r9p n GLU 12 Cb 0.00 0.00 -0.07 0.00 1.43 0.00 0.00 31.44 32.80 1r9p n GLU 12 CO 0.00 0.00 0.00 -0.80 -0.16 0.00 0.00 177.13 176.17 1r9p s ASN 13 N -1.00 4.97 0.13 -1.84 -0.87 -1.26 -5.07 114.94 110.00 1r9p s ASN 13 Ca 0.00 -0.29 -0.32 0.00 -1.57 0.00 0.00 52.86 50.68 1r9p s ASN 13 Cb 0.00 -1.14 -0.12 0.00 -0.02 0.00 0.00 41.25 39.97 1r9p s ASN 13 CO 0.00 0.11 1.78 -0.81 -2.57 0.00 0.00 177.10 175.61 1r9p n PRO 14 N 0.03 2.64 0.00 -0.60 -0.04 -1.26 -4.56 135.00 131.21 1r9p n PRO 14 Ca -0.10 0.96 0.00 0.00 -0.04 0.00 0.00 63.50 64.32 1r9p n PRO 14 Cb 0.54 -2.82 0.00 0.00 -0.04 0.00 0.00 33.50 31.18 1r9p n PRO 14 CO 0.00 0.00 0.00 -2.13 -0.04 0.00 0.00 175.50 173.33 1r9p n ARG 15 N 5.07 0.00 0.00 0.54 0.63 -1.26 -5.11 116.66 116.53 1r9p n ARG 15 Ca 0.18 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 57.11 1r9p n ARG 15 Cb 0.35 0.00 0.00 0.00 0.45 0.00 0.00 32.46 33.26 1r9p n ARG 15 CO 0.00 0.00 0.00 -1.71 -2.51 0.00 0.00 177.63 173.41 1r9p n ASN 16 N -0.01 0.00 -0.01 6.15 2.85 -1.26 -3.47 115.26 119.51 1r9p n ASN 16 Ca 0.00 0.00 -0.02 0.00 -0.11 0.00 0.00 54.58 54.45 1r9p n ASN 16 Cb 0.00 0.00 -0.01 0.00 1.24 0.00 0.00 39.78 41.01 1r9p n ASN 16 CO 0.00 0.00 0.00 0.52 -2.11 0.00 0.00 177.26 175.67 1r9p n VAL 17 N 0.00 0.17 0.00 3.44 0.31 -1.26 -5.11 118.33 115.87 1r9p n VAL 17 Ca 0.00 -0.06 0.00 0.00 -0.01 0.00 0.00 64.34 64.27 1r9p n VAL 17 Cb 0.00 -0.88 0.00 0.00 -0.91 0.00 0.00 33.84 32.05 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 3.20 1.89 7.00 2.92 0.00 -1.23 -5.15 105.19 113.82 1r9p n GLY 18 Ca -0.05 0.29 0.00 0.00 0.00 0.00 0.00 46.02 46.25 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 0.00 -3.21 -3.45 1.61 7.64 -1.26 -4.62 113.62 110.33 1r9p n SER 19 Ca 0.00 0.00 -0.27 0.00 1.01 0.00 0.00 58.87 59.61 1r9p n SER 19 Cb 0.00 0.00 -0.10 0.00 -1.01 0.00 0.00 64.21 63.10 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 0.00 0.54 -1.49 -3.43 7.94 -1.26 -5.09 117.00 114.22 1r9p n LEU 20 Ca 0.00 -4.65 0.07 0.00 -1.11 0.00 0.00 56.01 50.32 1r9p n LEU 20 Cb 0.00 0.25 -0.04 0.00 0.53 0.00 0.00 43.42 44.16 1r9p n LEU 20 CO 0.00 1.89 -0.55 -0.67 -1.11 0.00 0.00 177.39 176.96 1r9p n ASP 21 N 2.30 -8.03 -0.22 1.96 -0.08 -1.26 -4.06 116.55 107.15 1r9p n ASP 21 Ca 0.27 1.67 0.00 0.00 -1.51 0.00 0.00 54.79 55.21 1r9p n ASP 21 Cb 0.46 -4.93 0.00 0.00 2.34 0.00 0.00 41.12 38.99 1r9p n ASP 21 CO 0.00 0.00 0.00 0.29 0.12 0.00 0.00 177.20 177.61 1r9p n LYS 22 N -3.34 0.69 0.30 -0.67 5.02 -1.26 -3.91 118.16 114.99 1r9p n LYS 22 Ca -0.04 0.00 0.11 0.00 -2.02 0.00 0.00 58.31 56.36 1r9p n LYS 22 Cb 0.56 -1.15 0.54 0.00 -0.02 0.00 0.00 35.03 34.96 1r9p n LYS 22 CO 0.00 0.00 0.00 0.87 -0.52 0.00 0.00 177.40 177.75 1r9p h LYS 23 N 0.14 0.00 0.00 1.97 1.57 -2.02 -3.45 116.57 114.78 1r9p h LYS 23 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1r9p h LYS 23 Cb 0.15 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.46 1r9p h LYS 23 CO 0.00 0.00 0.00 -3.47 -0.57 0.00 0.00 179.45 175.41 1r9p n ASP 24 N -2.82 0.00 0.00 0.86 -0.08 -1.25 -4.58 116.55 108.68 1r9p n ASP 24 Ca -0.00 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.28 1r9p n ASP 24 Cb 0.63 0.00 0.00 0.00 2.34 0.00 0.00 41.12 44.09 1r9p n ASP 24 CO 0.00 0.00 0.00 -1.20 0.12 0.00 0.00 177.20 176.12 1r9p n SER 25 N -3.75 -0.16 -0.57 1.67 7.64 -1.26 -4.01 113.62 113.18 1r9p n SER 25 Ca 0.00 0.00 -0.02 0.00 1.01 0.00 0.00 58.87 59.86 1r9p n SER 25 Cb 0.00 -1.86 -0.02 0.00 -1.01 0.00 0.00 64.21 61.32 1r9p n SER 25 CO 0.00 0.00 0.00 -0.46 -3.01 0.00 0.00 175.04 171.57 1r9p n ASN 26 N 0.00 -0.32 -3.60 6.43 6.94 -1.26 -5.00 115.26 118.45 1r9p n ASN 26 Ca 0.00 -0.93 -0.21 0.00 -0.02 0.00 0.00 54.58 53.42 1r9p n ASN 26 Cb 0.01 0.10 -0.16 0.00 -2.36 0.00 0.00 39.78 37.37 1r9p n ASN 26 CO 0.00 0.00 0.00 -0.69 -1.03 0.00 0.00 177.26 175.54 1r9p s VAL 27 N 0.00 -0.19 -0.18 3.53 1.01 -1.26 -2.33 120.40 120.98 1r9p s VAL 27 Ca 0.00 0.05 -0.03 0.00 0.00 0.00 0.00 61.98 62.00 1r9p s VAL 27 Cb 0.00 -0.48 -0.02 0.00 0.00 0.00 0.00 36.38 35.89 1r9p s VAL 27 CO 0.00 -0.10 -0.06 -0.83 0.00 0.00 0.00 175.10 174.11 1r9p s GLY 28 N 2.23 1.62 0.04 4.51 0.00 -0.93 -4.48 107.32 110.31 1r9p s GLY 28 Ca 0.04 -1.00 0.07 0.00 0.00 0.00 0.00 44.72 43.83 1r9p s GLY 28 CO -0.08 0.13 -0.18 -1.59 0.00 0.00 0.00 173.10 171.38 1r9p s THR 29 N 0.88 2.80 -0.10 0.90 2.01 -1.26 -1.42 115.64 119.45 1r9p s THR 29 Ca -0.01 -1.19 -0.06 0.00 0.31 0.00 0.00 61.69 60.73 1r9p s THR 29 Cb -0.15 -2.18 0.04 0.00 0.01 0.00 0.00 72.50 70.22 1r9p s THR 29 CO 0.01 0.33 0.24 -0.83 -0.69 0.00 0.00 174.62 173.67 1r9p s GLY 30 N -1.46 -0.15 0.10 4.40 0.00 -0.89 -4.29 107.32 105.02 1r9p s GLY 30 Ca 0.15 0.83 0.09 0.00 0.00 0.00 0.00 44.72 45.79 1r9p s GLY 30 CO 0.05 0.93 -0.23 1.06 0.00 0.00 0.00 173.10 174.92 1r9p s MET 31 N 0.74 1.27 0.30 2.90 -1.94 -1.26 -1.56 119.30 119.74 1r9p s MET 31 Ca -0.05 -1.17 -0.09 0.00 -1.71 0.00 0.00 55.69 52.67 1r9p s MET 31 Cb -0.06 -1.57 0.00 0.00 2.01 0.00 0.00 34.83 35.21 1r9p s MET 31 CO -0.04 0.37 0.51 0.14 -0.01 0.00 0.00 175.02 175.99 1r9p s VAL 32 N -1.06 0.00 0.00 -6.03 -7.23 0.07 -4.98 120.40 101.18 1r9p s VAL 32 Ca 0.09 -1.44 0.00 0.00 -1.81 0.00 0.00 61.98 58.82 1r9p s VAL 32 Cb -0.10 -2.44 0.00 0.00 0.56 0.00 0.00 36.38 34.40 1r9p s VAL 32 CO 0.04 0.00 0.00 0.61 -0.31 0.00 0.00 175.10 175.44 1r9p n GLY 33 N -0.46 1.43 3.24 2.32 0.00 -1.26 -0.36 105.19 110.10 1r9p n GLY 33 Ca -0.01 -0.34 -0.25 0.00 0.00 0.00 0.00 46.02 45.41 1r9p n GLY 33 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1r9p s ALA 34 N -2.00 1.70 -0.01 4.61 0.00 -0.96 -4.96 121.76 120.14 1r9p s ALA 34 Ca 0.00 -1.02 -0.03 0.00 0.00 0.00 0.00 51.96 50.91 1r9p s ALA 34 Cb 0.00 -0.34 -0.02 0.00 0.00 0.00 0.00 23.12 22.76 1r9p s ALA 34 CO 0.00 0.38 0.45 -1.00 0.00 0.00 0.00 175.76 175.59 1r9p h PRO 35 N 4.96 -0.12 -1.35 0.00 0.13 -1.94 1.02 132.00 134.70 1r9p h PRO 35 Ca -0.42 0.01 0.45 0.00 -0.87 0.00 0.00 66.00 65.17 1r9p h PRO 35 Cb 1.16 0.03 -0.13 0.00 0.13 0.00 0.00 31.00 32.18 1r9p h PRO 35 CO 0.44 -0.08 0.87 0.00 -0.23 0.00 0.00 178.00 179.01 1r9p h ALA 36 N -1.81 2.79 -0.01 -0.56 0.00 -2.01 3.10 119.26 120.75 1r9p h ALA 36 Ca -0.01 0.12 0.00 0.00 0.00 0.00 0.00 54.91 55.02 1r9p h ALA 36 Cb 0.09 0.22 0.00 0.00 0.00 0.00 0.00 17.79 18.10 1r9p h ALA 36 CO 0.02 -1.44 -0.48 0.00 0.00 0.00 0.00 179.25 177.35 1r9p n GLY 38 N 1.42 -0.38 3.41 0.00 0.00 1.03 -4.83 105.19 105.84 1r9p n GLY 38 Ca 0.09 0.03 -0.39 0.00 0.00 0.00 0.00 46.02 45.75 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 -2.23 5.53 -0.46 1.61 2.15 -0.87 -4.91 116.67 117.48 1r9p s ASP 39 Ca 0.33 -0.67 -0.23 0.00 0.43 0.00 0.00 52.55 52.41 1r9p s ASP 39 Cb -0.19 -1.99 0.03 0.00 -0.30 0.00 0.00 42.92 40.47 1r9p s ASP 39 CO 0.40 -0.24 0.77 0.54 -0.17 0.00 0.00 175.17 176.47 1r9p s VAL 40 N 1.58 4.66 0.12 1.11 0.11 -1.26 -2.27 120.40 124.44 1r9p s VAL 40 Ca 0.04 0.31 0.00 0.00 -2.93 0.00 0.00 61.98 59.40 1r9p s VAL 40 Cb -0.18 -4.33 -0.04 0.00 -1.53 0.00 0.00 36.38 30.31 1r9p s VAL 40 CO 0.06 -0.75 0.27 -0.32 -3.33 0.00 0.00 175.10 171.03 1r9p s MET 41 N 3.25 3.47 -0.13 1.54 1.75 0.51 -4.40 119.30 125.30 1r9p s MET 41 Ca 0.28 -0.45 -0.06 0.00 -1.25 0.00 0.00 55.69 54.21 1r9p s MET 41 Cb -0.13 -2.97 0.06 0.00 2.84 0.00 0.00 34.83 34.63 1r9p s MET 41 CO 0.21 0.54 0.29 -1.14 -0.65 0.00 0.00 175.02 174.27 1r9p s GLN 42 N -2.88 0.23 -0.06 4.11 0.74 -0.26 -0.75 119.66 120.80 1r9p s GLN 42 Ca 0.36 0.66 0.01 0.00 0.05 0.00 0.00 55.36 56.44 1r9p s GLN 42 Cb -0.12 -0.05 0.02 0.00 1.10 0.00 0.00 33.01 33.96 1r9p s GLN 42 CO 0.28 -0.20 -0.06 -1.17 -0.55 0.00 0.00 175.29 173.59 1r9p s LEU 43 N 1.66 1.36 -0.06 3.68 2.96 -0.60 -2.25 118.68 125.42 1r9p s LEU 43 Ca -0.06 -0.18 0.05 0.00 -0.22 0.00 0.00 54.13 53.72 1r9p s LEU 43 Cb -0.11 -0.58 -0.01 0.00 0.50 0.00 0.00 46.19 45.99 1r9p s LEU 43 CO -0.10 -0.04 -0.22 -1.58 -1.32 0.00 0.00 176.35 173.09 1r9p s GLN 44 N 0.97 2.57 0.05 1.98 0.74 -0.91 -2.09 119.66 122.97 1r9p s GLN 44 Ca -0.10 -0.86 0.09 0.00 0.05 0.00 0.00 55.36 54.55 1r9p s GLN 44 Cb -0.14 -2.23 -0.03 0.00 1.10 0.00 0.00 33.01 31.71 1r9p s GLN 44 CO 0.00 0.42 -0.25 0.96 -0.55 0.00 0.00 175.29 175.87 1r9p s ILE 45 N -0.25 2.23 -0.03 -2.34 -5.25 -0.51 -1.24 121.20 113.81 1r9p s ILE 45 Ca -0.00 -1.39 0.03 0.00 -0.99 0.00 0.00 60.65 58.29 1r9p s ILE 45 Cb -0.13 -1.89 -0.03 0.00 2.95 0.00 0.00 42.46 43.36 1r9p s ILE 45 CO 0.03 0.34 -0.09 -0.75 -1.79 0.00 0.00 174.94 172.68 1r9p s LYS 46 N -1.32 2.57 -0.27 0.37 2.20 -0.73 -2.18 119.74 120.38 1r9p s LYS 46 Ca 0.12 -0.68 -0.02 0.00 -0.36 0.00 0.00 55.97 55.04 1r9p s LYS 46 Cb -0.10 -2.48 0.03 0.00 -1.51 0.00 0.00 37.83 33.77 1r9p s LYS 46 CO 0.03 0.62 -0.04 0.08 -0.36 0.00 0.00 175.35 175.68 1r9p s VAL 47 N -0.87 2.95 0.03 4.02 1.01 -0.99 -2.11 120.40 124.44 1r9p s VAL 47 Ca 0.14 -1.12 -0.10 0.00 0.00 0.00 0.00 61.98 60.91 1r9p s VAL 47 Cb -0.11 -2.56 -0.03 0.00 0.00 0.00 0.00 36.38 33.68 1r9p s VAL 47 CO 0.04 0.10 1.16 -0.78 0.00 0.00 0.00 175.10 175.62 1r9p h ASP 48 N 8.01 -0.51 0.00 3.32 1.82 -1.57 -3.45 116.42 124.05 1r9p h ASP 48 Ca -0.29 0.06 0.00 0.00 -0.39 0.00 0.00 57.03 56.41 1r9p h ASP 48 Cb 1.09 0.20 0.00 0.00 0.68 0.00 0.00 39.33 41.31 1r9p h ASP 48 CO 0.56 -0.13 0.00 -0.90 -1.61 0.00 0.00 179.24 177.16 1r9p n ASP 49 N -3.42 0.00 -0.76 2.28 5.75 -1.26 -4.94 116.55 114.20 1r9p n ASP 49 Ca -0.01 0.00 0.06 0.00 -0.01 0.00 0.00 54.79 54.83 1r9p n ASP 49 Cb 0.10 0.00 0.17 0.00 -1.03 0.00 0.00 41.12 40.37 1r9p n ASP 49 CO 0.00 0.00 0.00 0.59 -0.11 0.00 0.00 177.20 177.68 1r9p n ASN 50 N 0.00 2.19 0.00 -1.12 3.02 -1.26 -4.84 115.26 113.26 1r9p n ASN 50 Ca 0.00 -2.04 0.00 0.00 -0.03 0.00 0.00 54.58 52.51 1r9p n ASN 50 Cb 0.00 -0.29 0.00 0.00 -0.61 0.00 0.00 39.78 38.88 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 1.05 0.78 3.85 7.41 0.00 -1.26 -5.07 105.19 111.96 1r9p n GLY 51 Ca 0.13 -0.22 -0.31 0.00 0.00 0.00 0.00 46.02 45.61 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 5.01 -1.13 -0.61 -1.09 -1.26 -3.74 121.20 116.37 1r9p s ILE 52 Ca 0.00 -0.49 -0.19 0.00 -2.23 0.00 0.00 60.65 57.74 1r9p s ILE 52 Cb 0.00 -3.40 0.09 0.00 -1.58 0.00 0.00 42.46 37.58 1r9p s ILE 52 CO 0.00 0.19 1.49 -0.63 -1.23 0.00 0.00 174.94 174.76 1r9p s ILE 53 N -1.40 4.32 0.20 2.92 -1.09 -0.60 -1.49 121.20 124.07 1r9p s ILE 53 Ca 0.30 -1.61 -0.22 0.00 -2.23 0.00 0.00 60.65 56.89 1r9p s ILE 53 Cb -0.13 -5.03 0.14 0.00 -1.58 0.00 0.00 42.46 35.86 1r9p s ILE 53 CO 0.23 -1.84 1.55 -0.08 -1.23 0.00 0.00 174.94 173.57 1r9p h GLU 54 N 8.44 -0.03 -3.62 2.79 4.81 -1.75 0.17 114.58 125.38 1r9p h GLU 54 Ca 0.30 0.00 -0.06 0.00 -0.13 0.00 0.00 59.36 59.46 1r9p h GLU 54 Cb 0.94 0.01 -0.08 0.00 0.63 0.00 0.00 28.75 30.25 1r9p h GLU 54 CO 1.35 -0.02 -0.09 0.16 -0.73 0.00 0.00 179.01 179.68 1r9p s ASP 55 N -5.36 -0.02 -0.04 1.04 -4.77 -1.25 -4.18 116.67 102.09 1r9p s ASP 55 Ca -0.13 -0.96 -0.02 0.00 -3.30 0.00 0.00 52.55 48.14 1r9p s ASP 55 Cb 0.17 0.61 0.03 0.00 -1.09 0.00 0.00 42.92 42.65 1r9p s ASP 55 CO 0.69 -1.19 0.08 0.00 0.70 0.00 0.00 175.17 175.45 1r9p s ALA 56 N -3.87 0.00 -0.15 2.11 0.00 -1.26 -1.78 121.76 116.81 1r9p s ALA 56 Ca 0.22 0.40 -0.09 0.00 0.00 0.00 0.00 51.96 52.49 1r9p s ALA 56 Cb -0.01 -0.45 -0.05 0.00 0.00 0.00 0.00 23.12 22.61 1r9p s ALA 56 CO 0.10 -0.26 0.16 0.15 0.00 0.00 0.00 175.76 175.91 1r9p s LYS 57 N 1.50 3.85 0.30 0.00 1.02 -0.37 -4.96 119.74 121.07 1r9p s LYS 57 Ca -0.04 -0.12 0.08 0.00 0.02 0.00 0.00 55.97 55.91 1r9p s LYS 57 Cb -0.12 -3.31 -0.04 0.00 -0.52 0.00 0.00 37.83 33.84 1r9p s LYS 57 CO -0.04 0.53 0.14 -0.59 -0.92 0.00 0.00 175.35 174.47 1r9p s PHE 58 N -0.33 2.83 -0.30 3.18 -0.71 -1.26 -2.15 117.98 119.25 1r9p s PHE 58 Ca 0.13 -0.26 -0.08 0.00 -1.04 0.00 0.00 56.93 55.67 1r9p s PHE 58 Cb -0.12 -1.48 0.19 0.00 -1.21 0.00 0.00 43.02 40.40 1r9p s PHE 58 CO 0.02 0.44 0.96 0.21 -1.34 0.00 0.00 175.22 175.51 1r9p s LYS 59 N -3.82 0.23 -0.28 1.99 2.20 -0.96 -4.98 119.74 114.13 1r9p s LYS 59 Ca 0.35 0.27 -0.25 0.00 -0.36 0.00 0.00 55.97 55.98 1r9p s LYS 59 Cb -0.05 0.13 0.10 0.00 -1.51 0.00 0.00 37.83 36.50 1r9p s LYS 59 CO 0.23 -0.39 0.91 -0.08 -0.36 0.00 0.00 175.35 175.65 1r9p s THR 60 N 2.93 0.00 -0.34 3.43 -1.32 -1.26 -1.10 115.64 117.98 1r9p s THR 60 Ca 0.19 0.00 0.05 0.00 -1.21 0.00 0.00 61.69 60.72 1r9p s THR 60 Cb -0.05 -1.00 0.18 0.00 -1.51 0.00 0.00 72.50 70.11 1r9p s THR 60 CO -0.21 0.00 0.52 -0.47 -2.21 0.00 0.00 174.62 172.25 1r9p s TYR 61 N 0.32 -1.36 0.00 9.09 6.14 -1.26 -4.53 117.35 125.75 1r9p s TYR 61 Ca 0.02 0.35 0.00 0.00 0.64 0.00 0.00 57.07 58.08 1r9p s TYR 61 Cb -0.05 0.08 0.00 0.00 0.42 0.00 0.00 41.96 42.41 1r9p s TYR 61 CO -0.04 -1.07 0.00 0.41 0.64 0.00 0.00 175.55 175.49 1r9p n GLY 62 N 4.94 0.06 2.62 8.97 0.00 -1.26 -4.79 105.19 115.73 1r9p n GLY 62 Ca 0.06 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.83 1r9p n GLY 62 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1r9p h GLY 64 N 8.40 0.00 1.75 0.00 0.00 -1.99 3.19 103.07 114.41 1r9p h GLY 64 Ca -0.16 0.00 -0.05 0.00 0.00 0.00 0.00 47.33 47.11 1r9p h GLY 64 CO 0.33 0.00 -0.46 1.76 0.00 0.00 0.00 176.54 178.17 1r9p h SER 65 N 0.00 0.00 0.00 0.19 0.02 -2.01 -3.33 113.55 108.42 1r9p h SER 65 Ca 0.00 0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 60.94 1r9p h SER 65 Cb 1.51 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 64.05 1r9p h SER 65 CO 0.00 0.22 -0.20 0.00 -1.14 0.00 0.00 176.83 175.71 1r9p h ALA 66 N 1.78 0.01 -0.78 3.77 0.00 0.55 -3.10 119.26 121.48 1r9p h ALA 66 Ca -0.02 -0.24 0.07 0.00 0.00 0.00 0.00 54.91 54.73 1r9p h ALA 66 Cb 1.19 0.18 -0.10 0.00 0.00 0.00 0.00 17.79 19.06 1r9p h ALA 66 CO 0.03 0.17 -0.46 -0.89 0.00 0.00 0.00 179.25 178.11 1r9p n ILE 67 N -4.70 -0.53 0.17 0.00 5.41 -1.20 0.24 119.36 118.76 1r9p n ILE 67 Ca -0.04 1.89 -0.11 0.00 1.00 0.00 0.00 62.75 65.49 1r9p n ILE 67 Cb 0.15 -2.35 -0.06 0.00 -0.71 0.00 0.00 39.64 36.67 1r9p n ILE 67 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1r9p h ALA 68 N 0.42 -0.99 -0.48 -1.39 0.00 -1.73 -1.77 119.26 113.32 1r9p h ALA 68 Ca 0.13 -0.11 0.10 0.00 0.00 0.00 0.00 54.91 55.03 1r9p h ALA 68 Cb 0.33 0.53 -0.09 0.00 0.00 0.00 0.00 17.79 18.55 1r9p h ALA 68 CO -0.74 -1.01 -0.15 0.77 0.00 0.00 0.00 179.25 178.12 1r9p h SER 69 N -0.59 -0.54 -0.85 0.00 0.02 -0.88 0.47 113.55 111.18 1r9p h SER 69 Ca -0.04 0.15 0.20 0.00 -0.84 0.00 0.00 61.79 61.27 1r9p h SER 69 Cb 0.51 0.33 -0.15 0.00 0.14 0.00 0.00 62.40 63.23 1r9p h SER 69 CO -0.03 -0.19 -0.01 -1.28 -1.14 0.00 0.00 176.83 174.17 1r9p h SER 70 N -0.04 -0.45 0.41 3.07 0.87 0.34 0.99 113.55 118.75 1r9p h SER 70 Ca 0.23 0.23 -0.12 0.00 -1.23 0.00 0.00 61.79 60.90 1r9p h SER 70 Cb 0.39 0.42 -0.01 0.00 -0.44 0.00 0.00 62.40 62.75 1r9p h SER 70 CO -0.51 -0.25 -0.52 0.77 -0.53 0.00 0.00 176.83 175.79 1r9p h SER 71 N 0.07 0.14 0.49 6.23 4.64 -0.08 -2.54 113.55 122.49 1r9p h SER 71 Ca 0.47 -0.07 -0.02 0.00 -0.47 0.00 0.00 61.79 61.70 1r9p h SER 71 Cb 0.87 -0.04 0.00 0.00 -0.31 0.00 0.00 62.40 62.93 1r9p h SER 71 CO -0.78 0.64 -0.23 0.25 -0.87 0.00 0.00 176.83 175.84 1r9p h LEU 72 N 0.10 -0.55 -0.92 5.97 5.85 0.24 -2.41 115.31 123.58 1r9p h LEU 72 Ca 0.00 0.02 0.21 0.00 0.84 0.00 0.00 57.88 58.95 1r9p h LEU 72 Cb 0.96 0.14 -0.12 0.00 0.37 0.00 0.00 40.66 42.01 1r9p h LEU 72 CO 0.07 -0.23 0.45 -0.29 -0.34 0.00 0.00 178.44 178.11 1r9p h ILE 73 N -0.99 0.53 -0.51 4.05 2.10 -0.77 0.31 117.51 122.23 1r9p h ILE 73 Ca -0.07 -0.17 0.06 0.00 1.08 0.00 0.00 64.86 65.77 1r9p h ILE 73 Cb 0.50 0.01 -0.05 0.00 -1.09 0.00 0.00 36.82 36.18 1r9p h ILE 73 CO 0.11 0.09 0.21 0.71 -1.08 0.00 0.00 178.15 178.19 1r9p h THR 74 N 0.48 0.87 0.00 2.19 1.35 -1.41 0.30 112.91 116.69 1r9p h THR 74 Ca 0.57 -0.14 -0.00 0.00 -0.55 0.00 0.00 66.41 66.28 1r9p h THR 74 Cb 1.04 0.43 -0.00 0.00 -1.73 0.00 0.00 68.15 67.88 1r9p h THR 74 CO -0.49 0.07 -0.01 -0.33 -0.25 0.00 0.00 175.52 174.51 1r9p h GLU 75 N 0.41 0.00 0.00 4.72 4.39 0.05 -2.12 114.58 122.03 1r9p h GLU 75 Ca 0.24 0.00 -0.14 0.00 0.34 0.00 0.00 59.36 59.80 1r9p h GLU 75 Cb 0.22 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 28.85 1r9p h GLU 75 CO -0.22 0.01 -0.66 2.35 -1.16 0.00 0.00 179.01 179.33 1r9p h TRP 76 N 0.00 0.00 0.00 4.33 2.91 0.15 -3.44 115.95 119.89 1r9p h TRP 76 Ca -0.00 0.00 0.00 0.00 1.13 0.00 0.00 58.89 60.02 1r9p h TRP 76 Cb 0.46 0.00 0.00 0.00 -0.51 0.00 0.00 29.16 29.11 1r9p h TRP 76 CO 0.00 0.66 0.00 1.33 -1.03 0.00 0.00 178.44 179.40 1r9p n VAL 77 N -3.42 0.00 -3.08 2.65 0.24 -0.33 -4.85 118.33 109.54 1r9p n VAL 77 Ca 0.00 0.00 -0.28 0.00 -2.04 0.00 0.00 64.34 62.03 1r9p n VAL 77 Cb 0.74 0.00 0.02 0.00 -1.47 0.00 0.00 33.84 33.13 1r9p n VAL 77 CO 0.00 0.00 0.00 1.17 -2.14 0.00 0.00 176.83 175.86 1r9p n LYS 78 N 0.00 -1.40 0.00 7.34 4.81 -1.16 -3.67 118.16 124.08 1r9p n LYS 78 Ca 0.00 0.95 0.00 0.00 -0.87 0.00 0.00 58.31 58.39 1r9p n LYS 78 Cb 0.00 -1.57 0.00 0.00 0.02 0.00 0.00 35.03 33.48 1r9p n LYS 78 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1r9p n GLY 79 N -0.46 1.47 0.00 3.14 0.00 0.60 -4.90 105.19 105.04 1r9p n GLY 79 Ca -0.12 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.90 1r9p n GLY 79 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1r9p n LYS 80 N -0.65 1.90 -4.42 1.61 4.76 -1.24 -4.74 118.16 115.38 1r9p n LYS 80 Ca 0.00 0.00 -0.34 0.00 -2.87 0.00 0.00 58.31 55.10 1r9p n LYS 80 Cb 0.00 0.00 -0.11 0.00 -1.84 0.00 0.00 35.03 33.08 1r9p n LYS 80 CO 0.00 0.00 0.00 -1.12 -1.37 0.00 0.00 177.40 174.91 1r9p s SER 81 N -0.90 4.96 0.30 4.39 0.01 -1.26 -1.56 113.70 119.64 1r9p s SER 81 Ca 0.00 0.00 0.05 0.00 1.31 0.00 0.00 55.95 57.32 1r9p s SER 81 Cb 0.00 -1.54 0.30 0.00 0.21 0.00 0.00 66.02 64.99 1r9p s SER 81 CO 0.00 0.29 0.97 0.18 0.41 0.00 0.00 173.24 175.09 1r9p n LEU 82 N 2.74 0.14 -0.04 2.44 4.77 -1.25 0.09 117.00 125.89 1r9p n LEU 82 Ca -0.18 0.37 -0.10 0.00 -0.03 0.00 0.00 56.01 56.07 1r9p n LEU 82 Cb 0.53 -0.22 -0.09 0.00 -2.33 0.00 0.00 43.42 41.31 1r9p n LEU 82 CO 0.30 -0.42 0.32 -0.08 -1.33 0.00 0.00 177.39 176.18 1r9p h GLU 83 N 0.00 -0.04 -0.26 3.23 4.57 -1.91 0.11 114.58 120.28 1r9p h GLU 83 Ca 0.00 0.00 0.02 0.00 -1.18 0.00 0.00 59.36 58.21 1r9p h GLU 83 Cb 1.07 0.01 -0.01 0.00 -0.16 0.00 0.00 28.75 29.66 1r9p h GLU 83 CO 0.00 0.59 0.18 1.49 -1.18 0.00 0.00 179.01 180.08 1r9p h GLU 84 N -0.94 0.26 0.00 1.92 4.57 -0.75 -0.89 114.58 118.75 1r9p h GLU 84 Ca -0.00 -0.02 -0.21 0.00 -1.18 0.00 0.00 59.36 57.95 1r9p h GLU 84 Cb 0.65 -0.06 -0.03 0.00 -0.16 0.00 0.00 28.75 29.15 1r9p h GLU 84 CO 0.01 0.17 -1.08 0.00 -1.18 0.00 0.00 179.01 176.93 1r9p h ALA 85 N 1.85 0.49 -0.46 2.92 0.00 -1.50 -3.12 119.26 119.44 1r9p h ALA 85 Ca 0.11 -0.94 -0.42 0.00 0.00 0.00 0.00 54.91 53.66 1r9p h ALA 85 Cb 0.10 -0.01 -0.15 0.00 0.00 0.00 0.00 17.79 17.73 1r9p h ALA 85 CO -0.02 1.21 0.32 0.41 0.00 0.00 0.00 179.25 181.16 1r9p n GLY 86 N 1.37 4.14 0.00 0.00 0.00 0.39 -3.88 105.19 107.20 1r9p n GLY 86 Ca -0.03 -1.59 0.00 0.00 0.00 0.00 0.00 46.02 44.40 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 0.90 0.00 -0.75 4.61 0.00 -1.21 -4.92 120.51 119.13 1r9p n ALA 87 Ca 0.43 0.00 -0.20 0.00 0.00 0.00 0.00 53.44 53.67 1r9p n ALA 87 Cb 0.59 0.00 0.07 0.00 0.00 0.00 0.00 19.45 20.11 1r9p n ALA 87 CO 0.00 0.00 0.00 0.44 0.00 0.00 0.00 177.50 177.94 1r9p n ILE 88 N -0.58 0.00 -3.97 0.00 -5.35 -1.18 -5.01 119.36 103.27 1r9p n ILE 88 Ca 0.00 -0.05 -0.08 0.00 -0.27 0.00 0.00 62.75 62.35 1r9p n ILE 88 Cb 0.00 -0.21 -0.09 0.00 -1.74 0.00 0.00 39.64 37.60 1r9p n ILE 88 CO 0.00 0.00 0.00 -0.54 -1.76 0.00 0.00 176.55 174.25 1r9p s LYS 89 N -2.58 0.66 0.12 6.28 1.02 -1.26 -5.05 119.74 118.94 1r9p s LYS 89 Ca 0.27 -0.98 -0.09 0.00 0.02 0.00 0.00 55.97 55.19 1r9p s LYS 89 Cb 0.00 0.25 -0.10 0.00 -0.52 0.00 0.00 37.83 37.46 1r9p s LYS 89 CO 0.36 -0.17 1.33 -2.95 -0.92 0.00 0.00 175.35 173.00 1r9p h ASN 90 N 3.24 0.78 -0.95 2.83 7.08 -1.92 -3.09 115.58 123.54 1r9p h ASN 90 Ca -0.33 -0.54 0.18 0.00 -3.08 0.00 0.00 56.30 52.53 1r9p h ASN 90 Cb 1.17 -0.23 -0.08 0.00 -2.08 0.00 0.00 38.32 37.09 1r9p h ASN 90 CO 0.58 1.32 0.61 0.28 -2.08 0.00 0.00 177.43 178.14 1r9p h SER 91 N 0.43 0.64 0.12 6.14 0.02 -1.96 0.84 113.55 119.77 1r9p h SER 91 Ca -0.06 0.06 -0.01 0.00 -0.84 0.00 0.00 61.79 60.95 1r9p h SER 91 Cb 1.44 -0.05 0.00 0.00 0.14 0.00 0.00 62.40 63.92 1r9p h SER 91 CO 0.16 0.26 -0.06 1.56 -1.14 0.00 0.00 176.83 177.61 1r9p h GLN 92 N 0.64 -0.15 -0.52 3.45 1.08 -1.96 -1.59 115.11 116.06 1r9p h GLN 92 Ca 0.51 0.01 0.15 0.00 -1.45 0.00 0.00 58.65 57.88 1r9p h GLN 92 Cb 0.95 0.03 -0.02 0.00 -0.05 0.00 0.00 27.48 28.39 1r9p h GLN 92 CO -0.27 -0.10 0.83 0.82 -0.95 0.00 0.00 178.83 179.16 1r9p h ILE 93 N -0.21 0.10 0.27 2.54 2.04 -1.46 0.00 117.51 120.80 1r9p h ILE 93 Ca -0.02 0.00 -0.01 0.00 1.00 0.00 0.00 64.86 65.83 1r9p h ILE 93 Cb 0.12 0.28 0.00 0.00 -0.74 0.00 0.00 36.82 36.49 1r9p h ILE 93 CO 0.03 0.00 -0.13 0.00 0.00 0.00 0.00 178.15 178.05 1r9p h ALA 94 N 0.83 -0.51 0.00 1.87 0.00 -0.47 -2.10 119.26 118.88 1r9p h ALA 94 Ca 0.25 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 55.08 1r9p h ALA 94 Cb 1.91 0.14 0.00 0.00 0.00 0.00 0.00 17.79 19.84 1r9p h ALA 94 CO -0.00 -0.48 0.46 1.49 0.00 0.00 0.00 179.25 180.72 1r9p h GLU 95 N -0.75 0.00 0.00 0.00 4.81 -0.02 1.51 114.58 120.13 1r9p h GLU 95 Ca -0.04 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.19 1r9p h GLU 95 Cb 0.28 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.66 1r9p h GLU 95 CO 0.06 0.00 -0.03 0.93 -0.73 0.00 0.00 179.01 179.24 1r9p h GLU 96 N 0.00 0.00 0.02 1.92 3.07 -1.21 -3.37 114.58 115.00 1r9p h GLU 96 Ca 0.00 0.00 -0.21 0.00 -0.50 0.00 0.00 59.36 58.65 1r9p h GLU 96 Cb 0.92 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 28.82 1r9p h GLU 96 CO 0.00 0.00 -0.94 1.25 -1.40 0.00 0.00 179.01 177.92 1r9p h LEU 97 N -0.88 0.31 -2.69 1.33 5.85 -0.49 -3.49 115.31 115.25 1r9p h LEU 97 Ca 0.00 -0.27 -0.02 0.00 0.84 0.00 0.00 57.88 58.43 1r9p h LEU 97 Cb 0.03 -0.10 0.02 0.00 0.37 0.00 0.00 40.66 40.98 1r9p h LEU 97 CO 0.00 1.09 -0.08 1.21 -0.34 0.00 0.00 178.44 180.32 1r9p n GLU 98 N -3.64 -0.74 -4.05 1.25 4.07 0.50 -5.03 120.64 112.99 1r9p n GLU 98 Ca -0.05 0.90 -0.32 0.00 -0.06 0.00 0.00 57.16 57.63 1r9p n GLU 98 Cb 0.84 -3.64 -0.06 0.00 -0.06 0.00 0.00 31.44 28.52 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 -3.21 3.97 -0.87 4.31 2.34 -1.26 -4.99 118.68 118.98 1r9p s LEU 99 Ca 0.04 0.15 -0.34 0.00 0.06 0.00 0.00 54.13 54.03 1r9p s LEU 99 Cb -0.01 -2.42 -0.21 0.00 -0.56 0.00 0.00 46.19 42.99 1r9p s LEU 99 CO 0.37 0.24 2.56 -2.65 -1.06 0.00 0.00 176.35 175.81 1r9p n PRO 100 N 0.92 0.02 0.00 1.48 -0.02 -1.26 -4.76 135.00 131.37 1r9p n PRO 100 Ca -0.11 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.37 1r9p n PRO 100 Cb 0.52 -1.52 0.00 0.00 -0.02 0.00 0.00 33.50 32.48 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 8.25 0.94 0.04 0.52 -0.04 -1.26 -4.18 135.00 139.27 1r9p n PRO 101 Ca 0.63 0.00 0.01 0.00 -0.04 0.00 0.00 63.50 64.10 1r9p n PRO 101 Cb 0.02 -1.01 0.05 0.00 -0.04 0.00 0.00 33.50 32.52 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 -0.49 0.58 0.00 0.52 0.31 -1.26 -3.18 118.33 114.81 1r9p n VAL 102 Ca 0.00 0.56 0.00 0.00 -0.01 0.00 0.00 64.34 64.89 1r9p n VAL 102 Cb 0.00 -1.56 0.00 0.00 -0.91 0.00 0.00 33.84 31.37 1r9p n VAL 102 CO 0.00 0.00 0.00 1.17 -1.32 0.00 0.00 176.83 176.68 1r9p n LYS 103 N -1.36 0.00 -3.17 5.55 4.81 -1.26 -5.06 118.16 117.67 1r9p n LYS 103 Ca -0.00 0.00 -0.14 0.00 -0.87 0.00 0.00 58.31 57.30 1r9p n LYS 103 Cb 0.38 -0.07 0.06 0.00 0.02 0.00 0.00 35.03 35.42 1r9p n LYS 103 CO 0.00 0.00 0.00 0.28 1.17 0.00 0.00 177.40 178.85 1r9p n VAL 104 N -0.93 -8.89 -0.13 3.15 0.31 -1.19 -4.96 118.33 105.69 1r9p n VAL 104 Ca 0.00 -1.26 -0.27 0.00 -0.01 0.00 0.00 64.34 62.80 1r9p n VAL 104 Cb 0.00 -6.40 -0.11 0.00 -0.91 0.00 0.00 33.84 26.42 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 -3.11 0.08 0.01 3.52 1.44 -1.26 -4.04 115.22 111.86 1r9p n HIS 105 Ca -0.06 0.03 -0.12 0.00 -2.01 0.00 0.00 57.72 55.56 1r9p n HIS 105 Cb 0.61 -1.01 -0.06 0.00 0.12 0.00 0.00 29.99 29.65 1r9p n HIS 105 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 1r9p h SER 107 N 0.03 -0.36 -1.06 0.00 0.02 -1.94 0.15 113.55 110.39 1r9p h SER 107 Ca 0.02 0.04 0.33 0.00 -0.84 0.00 0.00 61.79 61.34 1r9p h SER 107 Cb 0.05 0.13 -0.14 0.00 0.14 0.00 0.00 62.40 62.59 1r9p h SER 107 CO -0.00 -0.12 0.63 0.40 -1.14 0.00 0.00 176.83 176.60 1r9p h ILE 108 N -0.16 0.30 -0.93 3.27 2.04 -1.69 1.05 117.51 121.39 1r9p h ILE 108 Ca 0.00 -0.10 0.01 0.00 1.00 0.00 0.00 64.86 65.76 1r9p h ILE 108 Cb 0.16 -0.02 -0.05 0.00 -0.74 0.00 0.00 36.82 36.18 1r9p h ILE 108 CO -0.07 0.05 0.60 -0.07 0.00 0.00 0.00 178.15 178.67 1r9p h LEU 109 N 0.29 1.08 0.19 1.44 4.07 0.03 0.78 115.31 123.19 1r9p h LEU 109 Ca 0.73 -0.04 -0.01 0.00 0.08 0.00 0.00 57.88 58.64 1r9p h LEU 109 Cb 1.81 -0.27 0.00 0.00 1.08 0.00 0.00 40.66 43.28 1r9p h LEU 109 CO -0.53 0.80 -0.09 0.00 -1.08 0.00 0.00 178.44 177.54 1r9p h ALA 110 N 1.40 -0.25 0.98 1.53 0.00 0.28 -1.49 119.26 121.70 1r9p h ALA 110 Ca 0.34 -0.09 -0.05 0.00 0.00 0.00 0.00 54.91 55.11 1r9p h ALA 110 Cb -0.12 0.10 0.01 0.00 0.00 0.00 0.00 17.79 17.78 1r9p h ALA 110 CO -0.07 -0.60 -0.47 1.49 0.00 0.00 0.00 179.25 179.60 1r9p h GLU 111 N -0.34 -1.27 -1.48 0.00 4.81 -1.08 -1.80 114.58 113.42 1r9p h GLU 111 Ca -0.03 0.09 0.45 0.00 -0.13 0.00 0.00 59.36 59.75 1r9p h GLU 111 Cb 0.26 0.29 -0.10 0.00 0.63 0.00 0.00 28.75 29.83 1r9p h GLU 111 CO 0.04 -0.85 1.01 0.22 -0.73 0.00 0.00 179.01 178.71 1r9p h ASP 112 N -1.33 0.14 0.77 1.04 1.82 -0.85 0.91 116.42 118.93 1r9p h ASP 112 Ca -0.13 0.07 -0.04 0.00 -0.39 0.00 0.00 57.03 56.54 1r9p h ASP 112 Cb 1.01 0.06 0.01 0.00 0.68 0.00 0.00 39.33 41.09 1r9p h ASP 112 CO 0.22 -0.09 -0.37 0.00 -1.61 0.00 0.00 179.24 177.40 1r9p h ALA 113 N 1.39 -1.06 -1.05 -0.78 0.00 -0.40 0.29 119.26 117.65 1r9p h ALA 113 Ca 0.81 -0.23 0.29 0.00 0.00 0.00 0.00 54.91 55.78 1r9p h ALA 113 Cb 2.84 0.40 -0.12 0.00 0.00 0.00 0.00 17.79 20.90 1r9p h ALA 113 CO -0.23 -0.99 0.64 0.97 0.00 0.00 0.00 179.25 179.64 1r9p h ILE 114 N -1.23 0.43 0.38 0.00 6.09 -0.51 0.37 117.51 123.04 1r9p h ILE 114 Ca -0.11 -0.14 -0.02 0.00 -1.37 0.00 0.00 64.86 63.23 1r9p h ILE 114 Cb 0.79 -0.01 0.00 0.00 0.47 0.00 0.00 36.82 38.07 1r9p h ILE 114 CO 0.17 0.07 -0.18 0.50 -3.07 0.00 0.00 178.15 175.64 1r9p h LYS 115 N 0.40 -0.49 -1.01 2.19 3.64 -1.23 -2.53 116.57 117.55 1r9p h LYS 115 Ca 0.67 0.03 0.24 0.00 -1.27 0.00 0.00 60.65 60.32 1r9p h LYS 115 Cb 1.58 0.11 -0.12 0.00 -0.41 0.00 0.00 32.23 33.39 1r9p h LYS 115 CO -0.45 -0.21 0.61 0.00 -2.27 0.00 0.00 179.45 177.13 1r9p h ALA 116 N -0.81 1.82 -0.60 5.00 0.00 0.19 0.23 119.26 125.09 1r9p h ALA 116 Ca -0.05 0.11 -0.05 0.00 0.00 0.00 0.00 54.91 54.92 1r9p h ALA 116 Cb 0.51 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.27 1r9p h ALA 116 CO 0.09 -0.27 0.19 0.00 0.00 0.00 0.00 179.25 179.25 1r9p h ALA 117 N 1.71 0.79 -0.68 0.00 0.00 -0.95 -0.40 119.26 119.72 1r9p h ALA 117 Ca 0.63 -0.20 -0.07 0.00 0.00 0.00 0.00 54.91 55.27 1r9p h ALA 117 Cb 1.21 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 18.73 1r9p h ALA 117 CO -0.44 0.46 0.17 0.82 0.00 0.00 0.00 179.25 180.26 1r9p h ILE 118 N 0.86 1.26 -0.17 0.00 2.04 -0.15 -2.18 117.51 119.17 1r9p h ILE 118 Ca 0.20 -0.94 -0.14 0.00 1.00 0.00 0.00 64.86 64.97 1r9p h ILE 118 Cb 0.28 0.55 -0.01 0.00 -0.74 0.00 0.00 36.82 36.91 1r9p h ILE 118 CO -0.01 0.36 -0.50 0.00 0.00 0.00 0.00 178.15 178.00 1r9p h ALA 119 N 1.15 0.82 -0.53 1.87 0.00 -0.92 -1.64 119.26 120.01 1r9p h ALA 119 Ca 0.22 -0.49 -0.05 0.00 0.00 0.00 0.00 54.91 54.59 1r9p h ALA 119 Cb 0.35 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.03 1r9p h ALA 119 CO 0.00 0.67 0.14 0.22 0.00 0.00 0.00 179.25 180.28 1r9p h ASP 120 N 0.36 0.79 -0.05 0.00 3.58 -0.71 -0.82 116.42 119.57 1r9p h ASP 120 Ca 0.02 -0.23 -0.02 0.00 0.42 0.00 0.00 57.03 57.22 1r9p h ASP 120 Cb 1.01 -0.21 -0.00 0.00 1.72 0.00 0.00 39.33 41.85 1r9p h ASP 120 CO 0.09 0.81 -0.06 0.22 -2.88 0.00 0.00 179.24 177.43 1r9p h TYR 121 N 0.74 0.15 -0.31 0.28 3.20 -1.33 -2.93 116.97 116.77 1r9p h TYR 121 Ca 0.17 -0.05 0.09 0.00 3.14 0.00 0.00 58.73 62.08 1r9p h TYR 121 Cb 0.32 -0.03 -0.01 0.00 1.54 0.00 0.00 36.73 38.55 1r9p h TYR 121 CO 0.02 0.59 0.23 -0.22 -1.64 0.00 0.00 178.16 177.14 1r9p h LYS 122 N -0.33 0.02 -1.27 1.82 3.64 -1.23 -1.90 116.57 117.32 1r9p h LYS 122 Ca 0.01 -0.00 0.45 0.00 -1.27 0.00 0.00 60.65 59.84 1r9p h LYS 122 Cb 0.57 -0.00 -0.14 0.00 -0.41 0.00 0.00 32.23 32.25 1r9p h LYS 122 CO 0.01 0.01 0.80 0.00 -2.27 0.00 0.00 179.45 178.01 1r9p n ALA 123 N -2.60 1.26 0.69 5.00 0.00 -0.32 0.26 120.51 124.80 1r9p n ALA 123 Ca 0.04 0.85 0.00 0.00 0.00 0.00 0.00 53.44 54.33 1r9p n ALA 123 Cb 0.38 -1.01 0.00 0.00 0.00 0.00 0.00 19.45 18.83 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 -4.69 0.69 -1.11 0.00 3.00 -0.72 -2.75 118.16 112.58 1r9p n LYS 124 Ca 0.38 0.00 0.03 0.00 -0.00 0.00 0.00 58.31 58.72 1r9p n LYS 124 Cb 1.46 -1.22 0.03 0.00 0.00 0.00 0.00 35.03 35.30 1r9p n LYS 124 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.40 178.44 1r9p n GLN 125 N 0.48 0.11 0.00 1.64 1.13 0.72 -4.98 117.38 116.47 1r9p n GLN 125 Ca 0.00 -1.77 0.00 0.00 -1.94 0.00 0.00 57.00 53.29 1r9p n GLN 125 Cb 0.29 -0.27 0.00 0.00 0.11 0.00 0.00 30.24 30.37 1r9p n GLN 125 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1r9p n GLY 126 N 0.22 -2.05 2.41 1.08 0.00 -1.11 -4.96 105.19 100.78 1r9p n GLY 126 Ca 0.05 0.70 -0.02 0.00 0.00 0.00 0.00 46.02 46.75 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 -1.75 0.84 -4.50 0.99 7.94 -1.16 -4.72 117.00 114.63 1r9p n LEU 127 Ca 0.00 -0.92 -0.24 0.00 -1.11 0.00 0.00 56.01 53.74 1r9p n LEU 127 Cb 0.00 -0.23 -0.10 0.00 0.53 0.00 0.00 43.42 43.62 1r9p n LEU 127 CO 0.00 -0.14 -0.40 -1.83 -1.11 0.00 0.00 177.39 173.91 1r9p s GLU 128 N 2.66 1.73 0.00 1.96 -1.05 -1.26 -4.92 118.70 117.82 1r9p s GLU 128 Ca 0.11 -1.87 0.00 0.00 -0.15 0.00 0.00 54.97 53.06 1r9p s GLU 128 Cb 0.05 -1.60 0.00 0.00 -0.44 0.00 0.00 34.13 32.14 1r9p s GLU 128 CO 0.00 0.16 0.00 1.58 0.95 0.00 0.00 175.26 177.95 1r9p n HIS 129 N -0.71 -0.02 -0.75 4.83 -0.00 -1.26 -4.91 115.22 112.40 1r9p n HIS 129 Ca -0.05 0.00 -0.34 0.00 0.46 0.00 0.00 57.72 57.78 1r9p n HIS 129 Cb 0.63 0.32 -0.06 0.00 -0.12 0.00 0.00 29.99 30.76 1r9p n HIS 129 CO 0.00 0.00 0.00 -2.39 0.46 0.00 0.00 176.34 174.41 1r9p n HIS 130 N -2.14 1.03 -3.68 1.57 -0.00 -1.26 -4.73 115.22 106.01 1r9p n HIS 130 Ca 0.00 -1.31 -0.12 0.00 -0.00 0.00 0.00 57.72 56.29 1r9p n HIS 130 Cb 0.00 -1.30 -0.09 0.00 -0.00 0.00 0.00 29.99 28.61 1r9p n HIS 130 CO 0.00 0.00 0.00 -1.58 -0.00 0.00 0.00 176.34 174.76 1r9p s HIS 131 N 5.26 -0.67 0.00 -1.40 5.04 -1.26 -5.14 115.29 117.12 1r9p s HIS 131 Ca 0.50 1.56 0.00 0.00 -1.54 0.00 0.00 55.06 55.58 1r9p s HIS 131 Cb 0.12 0.27 0.00 0.00 0.04 0.00 0.00 32.58 33.01 1r9p s HIS 131 CO 0.14 -0.33 0.00 0.72 -2.34 0.00 0.00 174.74 172.93 1r9p n HIS 132 N 3.13 0.00 0.00 3.88 8.25 -1.26 -5.11 115.22 124.12 1r9p n HIS 132 Ca -0.15 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.31 1r9p n HIS 132 Cb 0.56 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.67 1r9p n HIS 132 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70 1r9p n HIS 133 N 0.00 0.00 0.41 4.41 8.25 -1.26 -5.22 115.22 121.81 1r9p n HIS 133 Ca 0.00 0.00 0.03 0.00 -0.26 0.00 0.00 57.72 57.49 1r9p n HIS 133 Cb 0.00 0.00 0.19 0.00 1.12 0.00 0.00 29.99 31.30 1r9p n HIS 133 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70