#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 0.00 -1.64 -5.12 0.00 -1.26 -5.11 120.51 107.37 1r9p n ALA 2 Ca 0.00 0.00 -0.55 0.00 0.00 0.00 0.00 53.44 52.89 1r9p n ALA 2 Cb 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 19.38 1r9p n ALA 2 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 1r9p n TYR 3 N 0.00 1.72 -3.47 0.00 4.01 -1.26 -4.89 117.16 113.27 1r9p n TYR 3 Ca 0.00 0.62 -0.43 0.00 -0.16 0.00 0.00 57.90 57.93 1r9p n TYR 3 Cb 0.00 -2.38 -0.07 0.00 -0.31 0.00 0.00 39.34 36.59 1r9p n TYR 3 CO 0.00 0.00 0.00 -1.12 -0.46 0.00 0.00 176.86 175.28 1r9p s SER 4 N 1.84 5.92 -0.87 7.72 0.01 -1.26 -4.99 113.70 122.08 1r9p s SER 4 Ca 0.91 -2.02 -0.19 0.00 1.31 0.00 0.00 55.95 55.95 1r9p s SER 4 Cb -1.03 -2.08 -0.23 0.00 0.21 0.00 0.00 66.02 62.89 1r9p s SER 4 CO 0.56 -0.71 2.16 1.21 0.41 0.00 0.00 173.24 176.87 1r9p n GLU 5 N 4.81 0.00 0.00 12.44 4.07 -1.26 -4.11 120.64 136.59 1r9p n GLU 5 Ca -0.06 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 57.04 1r9p n GLU 5 Cb 0.41 -1.13 0.00 0.00 -0.06 0.00 0.00 31.44 30.66 1r9p n GLU 5 CO 0.00 0.00 0.00 0.36 -0.06 0.00 0.00 177.13 177.43 1r9p n LYS 6 N 6.36 0.00 -1.68 5.31 2.85 -1.26 -4.98 118.16 124.76 1r9p n LYS 6 Ca 0.58 0.00 -0.33 0.00 -1.05 0.00 0.00 58.31 57.51 1r9p n LYS 6 Cb 0.06 0.00 -0.04 0.00 -0.65 0.00 0.00 35.03 34.40 1r9p n LYS 6 CO 0.00 0.00 0.00 1.33 -0.05 0.00 0.00 177.40 178.68 1r9p n VAL 7 N 0.00 4.24 -1.52 0.58 0.24 -1.26 -4.92 118.33 115.69 1r9p n VAL 7 Ca 0.00 -3.50 -0.23 0.00 -2.04 0.00 0.00 64.34 58.57 1r9p n VAL 7 Cb 0.13 -1.88 -0.17 0.00 -1.47 0.00 0.00 33.84 30.45 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 1.48 -0.01 -3.57 1.34 5.41 -1.26 -4.86 119.36 117.89 1r9p n ILE 8 Ca 0.56 -0.46 -0.32 0.00 1.00 0.00 0.00 62.75 63.53 1r9p n ILE 8 Cb 0.42 -0.74 -0.05 0.00 -0.71 0.00 0.00 39.64 38.56 1r9p n ILE 8 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 176.55 175.93 1r9p s ASP 9 N 4.62 6.56 -0.40 4.38 2.15 -1.26 -4.94 116.67 127.79 1r9p s ASP 9 Ca 1.21 0.73 -0.36 0.00 0.43 0.00 0.00 52.55 54.56 1r9p s ASP 9 Cb -0.68 -2.15 -0.15 0.00 -0.30 0.00 0.00 42.92 39.64 1r9p s ASP 9 CO 0.42 0.03 1.52 1.41 -0.17 0.00 0.00 175.17 178.38 1r9p n HIS 10 N 0.14 1.12 -1.76 -5.34 8.25 -1.26 -4.76 115.22 111.62 1r9p n HIS 10 Ca -0.02 0.74 0.04 0.00 -0.26 0.00 0.00 57.72 58.21 1r9p n HIS 10 Cb 0.52 -1.80 0.06 0.00 1.12 0.00 0.00 29.99 29.89 1r9p n HIS 10 CO 0.00 0.00 0.00 0.66 0.64 0.00 0.00 176.34 177.64 1r9p n TYR 11 N 4.81 0.00 0.00 4.41 4.01 -1.26 -4.81 117.16 124.32 1r9p n TYR 11 Ca 0.36 -0.49 0.00 0.00 -0.16 0.00 0.00 57.90 57.61 1r9p n TYR 11 Cb -0.04 -0.11 0.00 0.00 -0.31 0.00 0.00 39.34 38.88 1r9p n TYR 11 CO 0.00 0.00 0.00 0.39 -0.46 0.00 0.00 176.86 176.79 1r9p n GLU 12 N -0.46 0.41 -2.99 -0.72 4.71 -1.26 -5.07 120.64 115.26 1r9p n GLU 12 Ca 0.07 0.00 -0.23 0.00 -0.01 0.00 0.00 57.16 56.99 1r9p n GLU 12 Cb 0.74 -0.85 0.02 0.00 -1.01 0.00 0.00 31.44 30.34 1r9p n GLU 12 CO 0.00 0.00 0.00 0.09 0.09 0.00 0.00 177.13 177.31 1r9p n ASN 13 N -2.11 -4.82 -4.43 1.62 3.02 -1.26 -4.56 115.26 102.71 1r9p n ASN 13 Ca 0.00 0.00 -0.52 0.00 -0.03 0.00 0.00 54.58 54.04 1r9p n ASN 13 Cb 0.35 -1.32 -0.08 0.00 -0.61 0.00 0.00 39.78 38.13 1r9p n ASN 13 CO 0.00 0.00 0.00 -2.65 -2.62 0.00 0.00 177.26 171.99 1r9p n PRO 14 N 0.25 0.98 0.00 3.52 -0.02 -1.26 -4.86 135.00 133.61 1r9p n PRO 14 Ca -0.05 0.27 0.00 0.00 -2.02 0.00 0.00 63.50 61.70 1r9p n PRO 14 Cb 0.53 -2.36 0.00 0.00 -0.02 0.00 0.00 33.50 31.65 1r9p n PRO 14 CO 0.00 0.00 0.00 -2.13 1.98 0.00 0.00 175.50 175.35 1r9p n ARG 15 N 8.04 0.00 0.00 -0.52 0.63 -1.26 -4.87 116.66 118.68 1r9p n ARG 15 Ca 0.42 0.00 0.05 0.00 -0.92 0.00 0.00 57.85 57.40 1r9p n ARG 15 Cb 0.20 0.00 0.03 0.00 0.45 0.00 0.00 32.46 33.14 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 -1.11 1.69 -4.56 6.15 2.85 -1.26 -4.88 115.26 114.14 1r9p n ASN 16 Ca 0.00 -1.35 -0.35 0.00 -0.11 0.00 0.00 54.58 52.77 1r9p n ASN 16 Cb 0.00 0.06 -0.04 0.00 1.24 0.00 0.00 39.78 41.04 1r9p n ASN 16 CO 0.00 0.00 0.00 -0.69 -2.11 0.00 0.00 177.26 174.46 1r9p s VAL 17 N -0.83 3.72 1.03 3.44 1.01 -1.26 -4.97 120.40 122.54 1r9p s VAL 17 Ca 0.10 -0.57 -0.17 0.00 0.00 0.00 0.00 61.98 61.33 1r9p s VAL 17 Cb 0.08 -4.62 0.24 0.00 0.00 0.00 0.00 36.38 32.08 1r9p s VAL 17 CO 0.13 -1.53 1.24 0.61 0.00 0.00 0.00 175.10 175.55 1r9p n GLY 18 N 6.84 -1.86 3.61 4.51 0.00 -1.26 -4.99 105.19 112.04 1r9p n GLY 18 Ca 0.35 -1.65 -0.09 0.00 0.00 0.00 0.00 46.02 44.63 1r9p n GLY 18 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1r9p s SER 19 N -5.39 -0.38 0.00 1.61 0.15 -1.26 -4.87 113.70 103.55 1r9p s SER 19 Ca 0.73 0.61 0.00 0.00 0.70 0.00 0.00 55.95 57.99 1r9p s SER 19 Cb -0.03 0.58 0.00 0.00 -1.71 0.00 0.00 66.02 64.86 1r9p s SER 19 CO 0.52 -0.22 0.00 -0.11 1.20 0.00 0.00 173.24 174.64 1r9p n LEU 20 N 1.54 0.00 -4.34 3.45 0.00 -1.26 -4.85 117.00 111.55 1r9p n LEU 20 Ca -0.11 0.00 -0.42 0.00 0.00 0.00 0.00 56.01 55.48 1r9p n LEU 20 Cb 0.57 0.00 -0.00 0.00 0.00 0.00 0.00 43.42 43.99 1r9p n LEU 20 CO 0.08 0.00 -0.30 -0.67 0.00 0.00 0.00 177.39 176.49 1r9p n ASP 21 N 0.88 -2.36 -0.53 1.96 -0.08 -1.26 -4.70 116.55 110.46 1r9p n ASP 21 Ca 0.00 0.84 0.00 0.00 -1.51 0.00 0.00 54.79 54.12 1r9p n ASP 21 Cb 0.00 -0.94 0.00 0.00 2.34 0.00 0.00 41.12 42.52 1r9p n ASP 21 CO 0.00 0.00 0.00 2.29 0.12 0.00 0.00 177.20 179.61 1r9p n LYS 22 N 1.14 0.78 -0.01 -0.67 2.85 -1.26 -2.82 118.16 118.17 1r9p n LYS 22 Ca 0.12 0.00 0.08 0.00 -1.05 0.00 0.00 58.31 57.45 1r9p n LYS 22 Cb 0.39 -1.37 -0.13 0.00 -0.65 0.00 0.00 35.03 33.27 1r9p n LYS 22 CO 0.00 0.00 0.00 1.17 -0.05 0.00 0.00 177.40 178.52 1r9p n LYS 23 N 0.14 0.56 -1.35 -1.58 4.81 -1.26 -4.98 118.16 114.49 1r9p n LYS 23 Ca 0.00 -0.14 -0.29 0.00 -0.87 0.00 0.00 58.31 57.00 1r9p n LYS 23 Cb 0.21 -1.40 0.14 0.00 0.02 0.00 0.00 35.03 34.01 1r9p n LYS 23 CO 0.00 0.00 0.00 0.16 1.17 0.00 0.00 177.40 178.73 1r9p s ASP 24 N -3.97 3.32 0.00 3.14 1.47 -1.13 -4.94 116.67 114.55 1r9p s ASP 24 Ca -0.06 1.18 0.21 0.00 1.18 0.00 0.00 52.55 55.06 1r9p s ASP 24 Cb 0.10 -1.82 0.60 0.00 -0.34 0.00 0.00 42.92 41.46 1r9p s ASP 24 CO 0.69 -2.69 1.50 -0.24 0.68 0.00 0.00 175.17 175.11 1r9p n SER 25 N -3.89 3.67 -0.17 2.11 2.88 -1.26 -4.05 113.62 112.92 1r9p n SER 25 Ca 0.06 -2.00 0.08 0.00 -1.33 0.00 0.00 58.87 55.69 1r9p n SER 25 Cb 0.57 -0.45 0.13 0.00 -0.75 0.00 0.00 64.21 63.71 1r9p n SER 25 CO 0.00 0.00 0.00 0.59 -1.23 0.00 0.00 175.04 174.40 1r9p n ASN 26 N 1.51 2.49 -4.00 -3.46 3.02 -1.26 -4.84 115.26 108.72 1r9p n ASN 26 Ca 0.23 -2.89 -0.28 0.00 -0.03 0.00 0.00 54.58 51.60 1r9p n ASN 26 Cb 0.58 -0.37 -0.17 0.00 -0.61 0.00 0.00 39.78 39.21 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 -2.55 1.36 -0.24 2.41 1.01 -1.26 -1.00 120.40 120.13 1r9p s VAL 27 Ca 0.28 -0.52 -0.10 0.00 0.00 0.00 0.00 61.98 61.64 1r9p s VAL 27 Cb 0.24 -1.29 -0.05 0.00 0.00 0.00 0.00 36.38 35.29 1r9p s VAL 27 CO 0.04 0.42 0.14 -0.83 0.00 0.00 0.00 175.10 174.86 1r9p s GLY 28 N 1.34 1.92 0.14 4.51 0.00 -0.90 -4.38 107.32 109.95 1r9p s GLY 28 Ca 0.00 -0.97 0.06 0.00 0.00 0.00 0.00 44.72 43.82 1r9p s GLY 28 CO -0.06 0.44 0.02 -1.59 0.00 0.00 0.00 173.10 171.91 1r9p s THR 29 N 1.25 3.96 -0.28 0.90 2.01 -1.26 -2.12 115.64 120.10 1r9p s THR 29 Ca 0.07 -1.19 -0.02 0.00 0.31 0.00 0.00 61.69 60.85 1r9p s THR 29 Cb -0.14 -2.95 0.16 0.00 0.01 0.00 0.00 72.50 69.58 1r9p s THR 29 CO 0.06 -0.02 0.51 -0.83 -0.69 0.00 0.00 174.62 173.65 1r9p s GLY 30 N -2.71 -0.75 -0.36 4.40 0.00 -0.73 -3.44 107.32 103.73 1r9p s GLY 30 Ca 0.27 1.51 -0.02 0.00 0.00 0.00 0.00 44.72 46.49 1r9p s GLY 30 CO 0.19 3.07 0.11 -0.29 0.00 0.00 0.00 173.10 176.19 1r9p s MET 31 N 2.74 2.09 0.23 2.90 1.75 -1.26 -1.09 119.30 126.66 1r9p s MET 31 Ca 0.16 -1.63 0.11 0.00 -1.25 0.00 0.00 55.69 53.08 1r9p s MET 31 Cb -0.15 -3.40 -0.05 0.00 2.84 0.00 0.00 34.83 34.08 1r9p s MET 31 CO -0.19 -0.90 -0.14 0.14 -0.65 0.00 0.00 175.02 173.28 1r9p s VAL 32 N 1.15 2.82 0.13 10.11 -7.23 -0.95 -5.00 120.40 121.44 1r9p s VAL 32 Ca 0.04 -2.04 -0.09 0.00 -1.81 0.00 0.00 61.98 58.09 1r9p s VAL 32 Cb -0.21 -2.44 -0.01 0.00 0.56 0.00 0.00 36.38 34.28 1r9p s VAL 32 CO -0.04 -0.26 0.24 -0.83 -0.31 0.00 0.00 175.10 173.91 1r9p s GLY 33 N -3.18 0.34 -0.03 2.32 0.00 -1.26 -1.00 107.32 104.51 1r9p s GLY 33 Ca 0.27 -0.80 -0.02 0.00 0.00 0.00 0.00 44.72 44.17 1r9p s GLY 33 CO 0.15 -0.84 0.07 0.00 0.00 0.00 0.00 173.10 172.48 1r9p s ALA 34 N -3.93 -0.15 0.13 3.20 0.00 -0.91 -4.99 121.76 115.11 1r9p s ALA 34 Ca 0.13 0.25 -0.05 0.00 0.00 0.00 0.00 51.96 52.29 1r9p s ALA 34 Cb 0.04 -0.16 -0.09 0.00 0.00 0.00 0.00 23.12 22.91 1r9p s ALA 34 CO -0.04 -0.05 1.31 -1.00 0.00 0.00 0.00 175.76 175.97 1r9p h PRO 35 N 6.29 0.45 -0.80 0.00 0.13 -1.95 0.17 132.00 136.28 1r9p h PRO 35 Ca -0.28 -0.47 0.14 0.00 -0.87 0.00 0.00 66.00 64.51 1r9p h PRO 35 Cb 1.19 0.13 -0.14 0.00 0.13 0.00 0.00 31.00 32.31 1r9p h PRO 35 CO 0.46 1.12 -0.33 0.00 -0.23 0.00 0.00 178.00 179.02 1r9p h ALA 36 N 0.72 0.15 -0.11 -0.56 0.00 -1.99 -1.16 119.26 116.32 1r9p h ALA 36 Ca -0.08 0.24 0.00 0.00 0.00 0.00 0.00 54.91 55.07 1r9p h ALA 36 Cb 1.55 0.85 0.00 0.00 0.00 0.00 0.00 17.79 20.19 1r9p h ALA 36 CO 0.16 -0.60 0.00 0.00 0.00 0.00 0.00 179.25 178.81 1r9p n GLY 38 N 0.70 -0.85 3.19 0.00 0.00 0.54 -4.71 105.19 104.06 1r9p n GLY 38 Ca 0.09 0.39 -0.22 0.00 0.00 0.00 0.00 46.02 46.28 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 -3.62 2.01 -0.25 1.61 -1.08 -0.93 -4.86 116.67 109.54 1r9p s ASP 39 Ca 0.40 -0.48 -0.02 0.00 -0.52 0.00 0.00 52.55 51.93 1r9p s ASP 39 Cb -0.15 -0.15 0.03 0.00 -1.46 0.00 0.00 42.92 41.19 1r9p s ASP 39 CO 0.88 0.09 -0.06 0.68 0.52 0.00 0.00 175.17 177.28 1r9p s VAL 40 N -0.83 2.87 -0.23 1.11 -7.23 -1.26 -2.14 120.40 112.68 1r9p s VAL 40 Ca 0.04 -1.06 -0.11 0.00 -1.81 0.00 0.00 61.98 59.03 1r9p s VAL 40 Cb -0.08 -2.48 -0.05 0.00 0.56 0.00 0.00 36.38 34.33 1r9p s VAL 40 CO 0.01 0.17 0.20 -0.32 -0.31 0.00 0.00 175.10 174.86 1r9p s MET 41 N 1.31 4.10 -0.24 4.82 1.75 -0.17 -4.38 119.30 126.50 1r9p s MET 41 Ca -0.00 -0.18 -0.05 0.00 -1.25 0.00 0.00 55.69 54.21 1r9p s MET 41 Cb -0.17 -3.53 -0.01 0.00 2.84 0.00 0.00 34.83 33.96 1r9p s MET 41 CO -0.04 0.05 -0.00 -1.14 -0.65 0.00 0.00 175.02 173.24 1r9p s GLN 42 N 1.07 3.38 -0.30 4.11 0.74 0.32 -2.24 119.66 126.75 1r9p s GLN 42 Ca 0.10 -0.63 -0.02 0.00 0.05 0.00 0.00 55.36 54.85 1r9p s GLN 42 Cb -0.14 -3.13 0.04 0.00 1.10 0.00 0.00 33.01 30.89 1r9p s GLN 42 CO 0.05 -0.23 0.00 -1.17 -0.55 0.00 0.00 175.29 173.39 1r9p s LEU 43 N 1.51 3.82 -0.28 3.68 2.96 -0.25 -1.63 118.68 128.50 1r9p s LEU 43 Ca 0.05 -1.18 0.02 0.00 -0.22 0.00 0.00 54.13 52.80 1r9p s LEU 43 Cb -0.15 -1.72 0.06 0.00 0.50 0.00 0.00 46.19 44.88 1r9p s LEU 43 CO -0.01 -0.24 -0.07 -1.58 -1.32 0.00 0.00 176.35 173.13 1r9p s GLN 44 N 1.29 2.21 -0.02 1.98 0.74 -0.59 -1.77 119.66 123.49 1r9p s GLN 44 Ca -0.04 -1.39 0.01 0.00 0.05 0.00 0.00 55.36 53.99 1r9p s GLN 44 Cb -0.19 -2.99 -0.03 0.00 1.10 0.00 0.00 33.01 30.90 1r9p s GLN 44 CO -0.01 -0.62 -0.00 0.96 -0.55 0.00 0.00 175.29 175.06 1r9p s ILE 45 N 1.11 4.15 -0.00 -2.34 -4.36 -0.90 -0.77 121.20 118.10 1r9p s ILE 45 Ca -0.06 -0.52 0.02 0.00 -0.26 0.00 0.00 60.65 59.83 1r9p s ILE 45 Cb -0.20 -2.82 -0.03 0.00 1.25 0.00 0.00 42.46 40.66 1r9p s ILE 45 CO -0.04 0.44 -0.03 -0.75 0.24 0.00 0.00 174.94 174.79 1r9p s LYS 46 N -1.37 2.68 0.04 0.37 2.20 -0.99 -2.11 119.74 120.57 1r9p s LYS 46 Ca 0.18 -0.66 0.03 0.00 -0.36 0.00 0.00 55.97 55.16 1r9p s LYS 46 Cb -0.11 -2.59 -0.02 0.00 -1.51 0.00 0.00 37.83 33.59 1r9p s LYS 46 CO 0.08 0.62 -0.09 0.08 -0.36 0.00 0.00 175.35 175.68 1r9p s VAL 47 N -1.03 0.64 0.00 4.02 1.01 -0.17 -3.45 120.40 121.42 1r9p s VAL 47 Ca 0.18 -1.07 0.00 0.00 0.00 0.00 0.00 61.98 61.09 1r9p s VAL 47 Cb -0.11 -0.68 0.00 0.00 0.00 0.00 0.00 36.38 35.59 1r9p s VAL 47 CO 0.09 -0.32 0.00 0.47 0.00 0.00 0.00 175.10 175.34 1r9p n ASP 48 N 1.53 0.00 -2.33 3.32 8.00 -0.98 -4.75 116.55 121.34 1r9p n ASP 48 Ca -0.22 0.00 -0.01 0.00 0.71 0.00 0.00 54.79 55.27 1r9p n ASP 48 Cb 0.55 0.00 -0.01 0.00 -0.02 0.00 0.00 41.12 41.63 1r9p n ASP 48 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 1r9p n ASP 49 N 0.00 0.58 -1.01 -2.24 8.00 -1.23 -3.98 116.55 116.66 1r9p n ASP 49 Ca 0.00 -1.50 -0.01 0.00 0.71 0.00 0.00 54.79 53.99 1r9p n ASP 49 Cb 0.00 -0.15 0.00 0.00 -0.02 0.00 0.00 41.12 40.95 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 2.71 -2.03 0.00 -2.24 3.02 -1.26 -3.38 115.26 112.08 1r9p n ASN 50 Ca 0.04 -0.02 0.00 0.00 -0.03 0.00 0.00 54.58 54.56 1r9p n ASN 50 Cb 0.09 -0.69 0.00 0.00 -0.61 0.00 0.00 39.78 38.57 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 -0.92 1.01 3.91 7.41 0.00 -1.26 -5.00 105.19 110.34 1r9p n GLY 51 Ca -0.01 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.74 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 -3.79 4.95 -0.87 -0.61 -1.09 -1.22 -4.46 121.20 114.10 1r9p s ILE 52 Ca 0.00 0.09 -0.17 0.00 -2.23 0.00 0.00 60.65 58.33 1r9p s ILE 52 Cb 0.00 -3.84 0.16 0.00 -1.58 0.00 0.00 42.46 37.20 1r9p s ILE 52 CO 0.00 -0.70 0.99 -0.63 -1.23 0.00 0.00 174.94 173.37 1r9p s ILE 53 N -2.54 5.01 0.31 2.92 1.01 -0.95 -2.32 121.20 124.64 1r9p s ILE 53 Ca 0.46 -1.81 0.03 0.00 0.00 0.00 0.00 60.65 59.33 1r9p s ILE 53 Cb -0.10 -4.66 0.29 0.00 0.01 0.00 0.00 42.46 38.00 1r9p s ILE 53 CO 0.40 -1.33 1.88 1.05 0.00 0.00 0.00 174.94 176.93 1r9p h GLU 54 N 8.53 0.89 -3.81 2.79 4.11 -1.90 0.13 114.58 125.32 1r9p h GLU 54 Ca 0.11 -0.05 -0.09 0.00 0.07 0.00 0.00 59.36 59.40 1r9p h GLU 54 Cb 1.03 -0.20 -0.13 0.00 0.50 0.00 0.00 28.75 29.95 1r9p h GLU 54 CO 0.99 0.59 -0.33 0.16 0.07 0.00 0.00 179.01 180.49 1r9p s ASP 55 N -5.85 0.07 -0.09 3.06 1.47 -1.26 -4.40 116.67 109.67 1r9p s ASP 55 Ca -0.11 -0.72 -0.03 0.00 1.18 0.00 0.00 52.55 52.87 1r9p s ASP 55 Cb 0.21 0.39 0.05 0.00 -0.34 0.00 0.00 42.92 43.23 1r9p s ASP 55 CO 0.80 -0.80 0.16 0.00 0.68 0.00 0.00 175.17 176.01 1r9p s ALA 56 N -3.90 -0.15 -0.07 2.11 0.00 -1.26 -2.33 121.76 116.15 1r9p s ALA 56 Ca 0.10 0.54 -0.04 0.00 0.00 0.00 0.00 51.96 52.56 1r9p s ALA 56 Cb 0.04 -0.83 -0.04 0.00 0.00 0.00 0.00 23.12 22.29 1r9p s ALA 56 CO -0.07 -0.59 0.11 0.21 0.00 0.00 0.00 175.76 175.42 1r9p s LYS 57 N 2.29 3.28 0.13 0.00 2.20 0.05 -5.00 119.74 122.69 1r9p s LYS 57 Ca 0.03 -0.28 0.00 0.00 -0.36 0.00 0.00 55.97 55.36 1r9p s LYS 57 Cb -0.12 -3.04 -0.04 0.00 -1.51 0.00 0.00 37.83 33.12 1r9p s LYS 57 CO -0.06 0.72 0.02 -0.59 -0.36 0.00 0.00 175.35 175.08 1r9p s PHE 58 N -1.08 0.94 -0.29 4.03 -0.12 -1.26 -1.54 117.98 118.66 1r9p s PHE 58 Ca 0.18 -1.12 -0.02 0.00 -0.05 0.00 0.00 56.93 55.92 1r9p s PHE 58 Cb -0.12 -0.55 0.18 0.00 -0.63 0.00 0.00 43.02 41.90 1r9p s PHE 58 CO 0.08 -0.37 0.58 0.15 -0.05 0.00 0.00 175.22 175.61 1r9p s LYS 59 N -3.97 0.54 -0.24 1.99 -0.14 -0.64 -5.00 119.74 112.29 1r9p s LYS 59 Ca 0.21 1.00 -0.15 0.00 -1.36 0.00 0.00 55.97 55.67 1r9p s LYS 59 Cb 0.07 0.48 0.07 0.00 -1.68 0.00 0.00 37.83 36.76 1r9p s LYS 59 CO 0.00 -0.58 0.59 -0.08 -0.76 0.00 0.00 175.35 174.53 1r9p s THR 60 N 2.83 -0.01 0.02 2.17 -1.32 -1.26 -0.52 115.64 117.55 1r9p s THR 60 Ca 0.17 0.03 -0.28 0.00 -1.21 0.00 0.00 61.69 60.40 1r9p s THR 60 Cb -0.15 -0.85 0.08 0.00 -1.51 0.00 0.00 72.50 70.07 1r9p s THR 60 CO -0.20 0.01 0.70 -0.47 -2.21 0.00 0.00 174.62 172.45 1r9p s TYR 61 N 1.23 -0.55 0.00 9.09 5.04 -1.26 -4.79 117.35 126.11 1r9p s TYR 61 Ca -0.07 0.69 0.00 0.00 -2.44 0.00 0.00 57.07 55.24 1r9p s TYR 61 Cb -0.06 0.48 0.00 0.00 0.35 0.00 0.00 41.96 42.74 1r9p s TYR 61 CO -0.13 -0.66 0.00 0.41 -1.34 0.00 0.00 175.55 173.83 1r9p n GLY 62 N 0.29 3.53 3.94 8.97 0.00 -1.26 -4.51 105.19 116.15 1r9p n GLY 62 Ca -0.16 -1.01 -0.25 0.00 0.00 0.00 0.00 46.02 44.60 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 -2.48 5.88 2.09 0.00 0.00 -1.26 -4.58 105.19 104.84 1r9p n GLY 64 Ca 0.05 -2.45 0.00 0.00 0.00 0.00 0.00 46.02 43.62 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 -0.75 -1.56 -0.41 1.61 3.41 -1.26 -4.90 113.62 109.76 1r9p n SER 65 Ca 0.56 0.34 0.34 0.00 -0.26 0.00 0.00 58.87 59.85 1r9p n SER 65 Cb 0.60 1.75 0.57 0.00 -0.26 0.00 0.00 64.21 66.86 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 -2.87 1.16 0.11 7.33 0.00 -1.26 0.38 120.51 125.36 1r9p n ALA 66 Ca 0.00 0.70 0.05 0.00 0.00 0.00 0.00 53.44 54.19 1r9p n ALA 66 Cb 0.00 -0.88 0.29 0.00 0.00 0.00 0.00 19.45 18.86 1r9p n ALA 66 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.50 176.61 1r9p n ILE 67 N -4.27 1.02 -0.10 0.00 5.41 -1.26 -0.56 119.36 119.59 1r9p n ILE 67 Ca 0.33 0.66 -0.19 0.00 1.00 0.00 0.00 62.75 64.55 1r9p n ILE 67 Cb 1.32 -1.66 -0.06 0.00 -0.71 0.00 0.00 39.64 38.53 1r9p n ILE 67 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1r9p n ALA 68 N -1.55 1.40 -0.28 -1.39 0.00 1.23 -4.15 120.51 115.77 1r9p n ALA 68 Ca -0.01 -0.85 0.08 0.00 0.00 0.00 0.00 53.44 52.66 1r9p n ALA 68 Cb 0.19 0.15 0.32 0.00 0.00 0.00 0.00 19.45 20.11 1r9p n ALA 68 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 1r9p h SER 69 N -0.84 0.77 -1.00 0.00 0.87 -1.39 0.22 113.55 112.17 1r9p h SER 69 Ca -0.40 0.03 0.01 0.00 -1.23 0.00 0.00 61.79 60.20 1r9p h SER 69 Cb 1.30 -0.13 -0.05 0.00 -0.44 0.00 0.00 62.40 63.08 1r9p h SER 69 CO -0.24 0.44 0.66 0.77 -0.53 0.00 0.00 176.83 177.93 1r9p h SER 70 N 0.84 1.15 0.10 6.23 4.64 -1.06 -1.72 113.55 123.73 1r9p h SER 70 Ca 0.42 -0.03 -0.01 0.00 -0.47 0.00 0.00 61.79 61.71 1r9p h SER 70 Cb 0.48 -0.28 0.00 0.00 -0.31 0.00 0.00 62.40 62.28 1r9p h SER 70 CO -0.18 0.82 -0.05 0.77 -0.87 0.00 0.00 176.83 177.32 1r9p h SER 71 N 1.35 -0.12 0.02 4.97 4.64 -1.12 0.15 113.55 123.44 1r9p h SER 71 Ca 0.37 -0.10 -0.00 0.00 -0.47 0.00 0.00 61.79 61.59 1r9p h SER 71 Cb -0.14 0.03 -0.00 0.00 -0.31 0.00 0.00 62.40 61.98 1r9p h SER 71 CO -0.08 0.03 -0.01 0.25 -0.87 0.00 0.00 176.83 176.14 1r9p h LEU 72 N -0.26 -0.04 -0.61 5.97 5.85 -1.07 -1.43 115.31 123.73 1r9p h LEU 72 Ca -0.01 0.00 0.12 0.00 0.84 0.00 0.00 57.88 58.83 1r9p h LEU 72 Cb 0.21 0.01 -0.12 0.00 0.37 0.00 0.00 40.66 41.14 1r9p h LEU 72 CO 0.02 -0.02 -0.17 -0.29 -0.34 0.00 0.00 178.44 177.64 1r9p h ILE 73 N -0.03 0.36 -1.05 4.05 2.10 -1.39 0.52 117.51 122.07 1r9p h ILE 73 Ca -0.00 0.00 0.29 0.00 1.08 0.00 0.00 64.86 66.23 1r9p h ILE 73 Cb 0.03 0.36 -0.12 0.00 -1.09 0.00 0.00 36.82 36.00 1r9p h ILE 73 CO -0.00 0.00 0.65 0.71 -1.08 0.00 0.00 178.15 178.43 1r9p h THR 74 N -0.02 0.44 -0.00 2.19 1.35 -0.51 1.99 112.91 118.36 1r9p h THR 74 Ca 0.29 -0.14 0.00 0.00 -0.55 0.00 0.00 66.41 66.01 1r9p h THR 74 Cb 0.46 0.00 0.00 0.00 -1.73 0.00 0.00 68.15 66.88 1r9p h THR 74 CO -0.64 0.07 -0.37 -0.62 -0.25 0.00 0.00 175.52 173.72 1r9p n GLU 75 N -4.79 0.22 0.01 4.72 -0.58 0.15 -2.92 120.64 117.46 1r9p n GLU 75 Ca 0.28 -0.12 0.12 0.00 -0.42 0.00 0.00 57.16 57.02 1r9p n GLU 75 Cb 0.92 -1.50 0.14 0.00 -0.57 0.00 0.00 31.44 30.42 1r9p n GLU 75 CO 0.00 0.00 0.00 1.87 -0.48 0.00 0.00 177.13 178.52 1r9p n TRP 76 N -1.29 0.14 0.06 -0.32 -0.00 0.65 -3.90 117.44 112.78 1r9p n TRP 76 Ca 0.08 0.04 0.02 0.00 -0.00 0.00 0.00 57.50 57.63 1r9p n TRP 76 Cb 0.33 -0.31 0.03 0.00 -0.00 0.00 0.00 31.31 31.36 1r9p n TRP 76 CO 0.00 0.00 0.00 1.33 -0.00 0.00 0.00 177.69 179.02 1r9p n VAL 77 N -1.69 0.42 -2.54 5.87 0.24 0.37 -4.73 118.33 116.28 1r9p n VAL 77 Ca 0.04 -0.71 -0.42 0.00 -2.04 0.00 0.00 64.34 61.21 1r9p n VAL 77 Cb 0.37 0.83 -0.03 0.00 -1.47 0.00 0.00 33.84 33.55 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 -0.59 3.40 -0.87 7.34 2.47 -1.15 -3.47 119.74 126.88 1r9p s LYS 78 Ca 0.06 0.18 -0.03 0.00 -1.56 0.00 0.00 55.97 54.62 1r9p s LYS 78 Cb 0.03 -4.07 0.00 0.00 -1.46 0.00 0.00 37.83 32.34 1r9p s LYS 78 CO 0.05 -1.83 0.35 0.41 0.16 0.00 0.00 175.35 174.49 1r9p n GLY 79 N 5.17 0.01 1.79 5.54 0.00 0.47 -5.02 105.19 113.15 1r9p n GLY 79 Ca 0.08 -0.27 -0.15 0.00 0.00 0.00 0.00 46.02 45.68 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 -2.59 1.30 -4.10 1.61 4.76 -1.23 -4.80 118.16 113.11 1r9p n LYS 80 Ca -0.06 -1.76 -0.31 0.00 -2.87 0.00 0.00 58.31 53.31 1r9p n LYS 80 Cb 0.57 0.38 -0.07 0.00 -1.84 0.00 0.00 35.03 34.07 1r9p n LYS 80 CO 0.00 0.00 0.00 0.45 -1.37 0.00 0.00 177.40 176.48 1r9p s SER 81 N -2.42 5.42 0.55 4.39 0.15 -1.26 -2.24 113.70 118.29 1r9p s SER 81 Ca 0.05 -0.02 0.34 0.00 0.70 0.00 0.00 55.95 57.02 1r9p s SER 81 Cb -0.00 -1.44 1.47 0.00 -1.71 0.00 0.00 66.02 64.33 1r9p s SER 81 CO 0.03 0.20 2.02 -0.07 1.20 0.00 0.00 173.24 176.63 1r9p h LEU 82 N 3.56 0.00 0.00 3.45 3.38 -1.98 -1.61 115.31 122.11 1r9p h LEU 82 Ca -0.47 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.50 1r9p h LEU 82 Cb 1.17 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.92 1r9p h LEU 82 CO 0.63 0.03 0.00 1.21 0.09 0.00 0.00 178.44 180.40 1r9p n GLU 83 N -3.15 0.08 -0.12 1.13 2.13 -1.26 -1.06 120.64 118.39 1r9p n GLU 83 Ca -0.00 0.07 -0.20 0.00 0.66 0.00 0.00 57.16 57.69 1r9p n GLU 83 Cb 0.28 -1.50 -0.10 0.00 0.27 0.00 0.00 31.44 30.39 1r9p n GLU 83 CO 0.00 0.00 0.00 0.39 -0.41 0.00 0.00 177.13 177.11 1r9p n GLU 84 N -1.45 0.56 0.05 5.31 1.02 -0.63 -4.42 120.64 121.08 1r9p n GLU 84 Ca 0.07 0.17 0.13 0.00 -0.02 0.00 0.00 57.16 57.51 1r9p n GLU 84 Cb 0.27 -1.43 0.40 0.00 -0.02 0.00 0.00 31.44 30.65 1r9p n GLU 84 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1r9p n ALA 85 N -3.53 2.61 -1.41 0.62 0.00 -1.06 -3.64 120.51 114.11 1r9p n ALA 85 Ca -0.44 -0.14 -0.24 0.00 0.00 0.00 0.00 53.44 52.62 1r9p n ALA 85 Cb 0.90 -1.36 -0.07 0.00 0.00 0.00 0.00 19.45 18.92 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 1.40 4.14 0.00 0.00 0.00 -0.23 -3.85 105.19 106.65 1r9p n GLY 86 Ca 0.05 -1.77 0.00 0.00 0.00 0.00 0.00 46.02 44.31 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 1.11 0.00 -0.39 4.61 0.00 -1.25 -4.95 120.51 119.64 1r9p n ALA 87 Ca 0.48 0.00 0.30 0.00 0.00 0.00 0.00 53.44 54.22 1r9p n ALA 87 Cb 0.61 0.00 0.48 0.00 0.00 0.00 0.00 19.45 20.53 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 -0.02 -0.05 -1.76 0.00 -5.35 -1.24 -4.81 119.36 106.13 1r9p n ILE 88 Ca 0.00 0.97 0.00 0.00 -0.27 0.00 0.00 62.75 63.45 1r9p n ILE 88 Cb 0.00 -1.61 0.00 0.00 -1.74 0.00 0.00 39.64 36.29 1r9p n ILE 88 CO 0.00 0.00 0.00 0.29 -1.76 0.00 0.00 176.55 175.08 1r9p n LYS 89 N -3.40 -4.87 -0.16 6.28 5.02 -1.26 -4.08 118.16 115.69 1r9p n LYS 89 Ca 0.27 3.51 -0.02 0.00 -2.02 0.00 0.00 58.31 60.04 1r9p n LYS 89 Cb 1.15 -3.84 0.07 0.00 -0.02 0.00 0.00 35.03 32.40 1r9p n LYS 89 CO 0.00 0.00 0.00 -2.95 -0.52 0.00 0.00 177.40 173.93 1r9p h ASN 90 N 3.02 0.10 -1.19 4.39 -1.07 -1.90 -0.48 115.58 118.46 1r9p h ASN 90 Ca 0.00 0.07 0.39 0.00 0.07 0.00 0.00 56.30 56.84 1r9p h ASN 90 Cb 0.00 0.08 -0.10 0.00 -2.07 0.00 0.00 38.32 36.23 1r9p h ASN 90 CO 0.00 0.08 0.79 -1.20 0.07 0.00 0.00 177.43 177.17 1r9p n SER 91 N -5.05 0.12 -0.03 6.14 7.64 -1.26 0.19 113.62 121.36 1r9p n SER 91 Ca 0.06 1.01 -0.13 0.00 1.01 0.00 0.00 58.87 60.81 1r9p n SER 91 Cb 0.23 -0.50 -0.11 0.00 -1.01 0.00 0.00 64.21 62.82 1r9p n SER 91 CO 0.00 0.00 0.00 -0.61 -3.01 0.00 0.00 175.04 171.42 1r9p h GLN 92 N 0.00 0.01 -0.99 1.43 5.75 -1.22 -2.77 115.11 117.31 1r9p h GLN 92 Ca 0.70 -0.01 0.22 0.00 -0.15 0.00 0.00 58.65 59.40 1r9p h GLN 92 Cb 2.39 0.00 -0.10 0.00 1.07 0.00 0.00 27.48 30.85 1r9p h GLN 92 CO -0.28 0.68 0.62 0.82 -2.65 0.00 0.00 178.83 178.02 1r9p h ILE 93 N -0.65 0.64 0.67 2.39 2.04 0.20 0.11 117.51 122.91 1r9p h ILE 93 Ca -0.00 -0.20 -0.03 0.00 1.00 0.00 0.00 64.86 65.62 1r9p h ILE 93 Cb 0.68 0.00 0.01 0.00 -0.74 0.00 0.00 36.82 36.77 1r9p h ILE 93 CO 0.00 0.11 -0.32 0.00 0.00 0.00 0.00 178.15 177.94 1r9p h ALA 94 N 1.64 -1.00 0.00 1.87 0.00 -1.31 -2.32 119.26 118.15 1r9p h ALA 94 Ca 0.57 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 55.28 1r9p h ALA 94 Cb 1.13 0.35 0.00 0.00 0.00 0.00 0.00 17.79 19.27 1r9p h ALA 94 CO -0.33 -0.93 0.03 -1.91 0.00 0.00 0.00 179.25 176.11 1r9p n GLU 95 N -5.01 0.01 -0.01 0.00 2.13 -0.78 0.79 120.64 117.77 1r9p n GLU 95 Ca -0.11 0.47 -0.00 0.00 0.66 0.00 0.00 57.16 58.18 1r9p n GLU 95 Cb 0.35 -1.55 -0.00 0.00 0.27 0.00 0.00 31.44 30.51 1r9p n GLU 95 CO 0.00 0.00 0.00 1.49 -0.41 0.00 0.00 177.13 178.21 1r9p h GLU 96 N 0.00 -0.01 -0.01 5.31 4.57 -0.27 -3.36 114.58 120.82 1r9p h GLU 96 Ca 0.00 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.18 1r9p h GLU 96 Cb 0.07 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.66 1r9p h GLU 96 CO 0.00 -0.00 -0.06 1.28 -1.18 0.00 0.00 179.01 179.05 1r9p n LEU 97 N -2.64 0.64 -3.51 1.64 4.77 -1.02 -4.96 117.00 111.93 1r9p n LEU 97 Ca -0.00 -0.14 -0.27 0.00 -0.03 0.00 0.00 56.01 55.57 1r9p n LEU 97 Cb 0.00 -0.08 0.02 0.00 -2.33 0.00 0.00 43.42 41.03 1r9p n LEU 97 CO 0.00 0.11 -0.17 -0.62 -1.33 0.00 0.00 177.39 175.38 1r9p n GLU 98 N -0.65 -1.77 -4.39 3.23 1.02 0.24 -4.95 120.64 113.37 1r9p n GLU 98 Ca 0.18 1.24 -0.33 0.00 -0.02 0.00 0.00 57.16 58.23 1r9p n GLU 98 Cb 0.26 -2.87 -0.10 0.00 -0.02 0.00 0.00 31.44 28.71 1r9p n GLU 98 CO 0.00 0.00 0.00 -0.48 1.18 0.00 0.00 177.13 177.83 1r9p s LEU 99 N -3.62 3.40 0.86 -4.62 2.34 -1.25 -5.06 118.68 110.73 1r9p s LEU 99 Ca 0.18 -0.01 -0.17 0.00 0.06 0.00 0.00 54.13 54.19 1r9p s LEU 99 Cb -0.02 -1.89 -0.12 0.00 -0.56 0.00 0.00 46.19 43.60 1r9p s LEU 99 CO 0.86 0.31 -0.41 -2.65 -1.06 0.00 0.00 176.35 173.40 1r9p n PRO 100 N 1.69 -0.00 0.00 1.48 -0.02 -1.26 -4.82 135.00 132.06 1r9p n PRO 100 Ca -0.16 0.01 0.12 0.00 -2.02 0.00 0.00 63.50 61.45 1r9p n PRO 100 Cb 0.53 -1.16 0.71 0.00 -0.02 0.00 0.00 33.50 33.55 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 1.56 0.86 0.00 0.52 -0.04 -1.26 -3.16 135.00 133.49 1r9p n PRO 101 Ca 0.02 0.00 0.14 0.00 -0.04 0.00 0.00 63.50 63.63 1r9p n PRO 101 Cb 0.53 -1.43 0.60 0.00 -0.04 0.00 0.00 33.50 33.16 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 -0.93 0.00 -2.45 0.52 0.31 -1.26 -3.87 118.33 110.64 1r9p n VAL 102 Ca 0.18 -0.19 -0.01 0.00 -0.01 0.00 0.00 64.34 64.31 1r9p n VAL 102 Cb 0.08 0.28 0.06 0.00 -0.91 0.00 0.00 33.84 33.34 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 -0.15 1.41 0.08 5.55 5.02 -1.19 -4.83 118.16 124.05 1r9p n LYS 103 Ca 0.19 -3.08 -0.23 0.00 -2.02 0.00 0.00 58.31 53.18 1r9p n LYS 103 Cb 0.30 -1.17 -0.15 0.00 -0.02 0.00 0.00 35.03 33.99 1r9p n LYS 103 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 1r9p h VAL 104 N 5.01 1.04 -1.58 -0.18 2.07 -1.75 -3.31 116.25 117.55 1r9p h VAL 104 Ca -0.08 -2.54 0.50 0.00 0.82 0.00 0.00 66.70 65.40 1r9p h VAL 104 Cb 1.49 2.84 -0.11 0.00 -1.52 0.00 0.00 31.29 33.98 1r9p h VAL 104 CO 0.22 0.83 1.07 1.12 0.02 0.00 0.00 177.57 180.83 1r9p h HIS 105 N 0.05 0.31 -0.09 1.57 2.07 -1.88 1.14 115.15 118.32 1r9p h HIS 105 Ca -0.32 0.01 -0.09 0.00 -2.85 0.00 0.00 60.37 57.13 1r9p h HIS 105 Cb 2.07 -0.07 0.00 0.00 2.57 0.00 0.00 27.41 31.97 1r9p h HIS 105 CO 0.11 -0.15 -0.28 0.00 -3.07 0.00 0.00 177.93 174.55 1r9p h SER 107 N -0.12 -0.19 0.09 0.00 0.87 0.12 -2.38 113.55 111.93 1r9p h SER 107 Ca -0.01 0.06 0.02 0.00 -1.23 0.00 0.00 61.79 60.63 1r9p h SER 107 Cb 0.90 0.13 -0.05 0.00 -0.44 0.00 0.00 62.40 62.94 1r9p h SER 107 CO 0.06 -0.07 -0.52 0.40 -0.53 0.00 0.00 176.83 176.17 1r9p h ILE 108 N 0.00 0.02 -0.75 2.23 2.04 -1.28 -2.30 117.51 117.47 1r9p h ILE 108 Ca 0.10 0.00 0.07 0.00 1.00 0.00 0.00 64.86 66.03 1r9p h ILE 108 Cb 0.15 0.02 -0.09 0.00 -0.74 0.00 0.00 36.82 36.16 1r9p h ILE 108 CO -0.21 0.00 -0.46 -0.07 0.00 0.00 0.00 178.15 177.40 1r9p h LEU 109 N -0.72 -1.69 -0.38 1.44 4.07 -1.18 -0.53 115.31 116.32 1r9p h LEU 109 Ca 0.00 0.25 0.03 0.00 0.08 0.00 0.00 57.88 58.25 1r9p h LEU 109 Cb 0.75 0.75 -0.05 0.00 1.08 0.00 0.00 40.66 43.18 1r9p h LEU 109 CO -0.30 -0.19 -0.22 0.00 -1.08 0.00 0.00 178.44 176.64 1r9p n ALA 110 N -3.18 -0.24 -0.32 1.53 0.00 -0.90 0.14 120.51 117.54 1r9p n ALA 110 Ca 0.01 0.32 0.15 0.00 0.00 0.00 0.00 53.44 53.92 1r9p n ALA 110 Cb 0.21 0.20 0.30 0.00 0.00 0.00 0.00 19.45 20.16 1r9p n ALA 110 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 1r9p h GLU 111 N 0.00 0.07 0.00 0.00 4.57 -0.80 4.43 114.58 122.84 1r9p h GLU 111 Ca 0.06 -0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.24 1r9p h GLU 111 Cb 0.16 -0.02 0.00 0.00 -0.16 0.00 0.00 28.75 28.73 1r9p h GLU 111 CO -0.36 0.05 0.00 0.22 -1.18 0.00 0.00 179.01 177.74 1r9p h ASP 112 N 0.07 0.00 0.12 1.04 1.82 0.20 -2.71 116.42 116.97 1r9p h ASP 112 Ca 0.59 0.00 -0.17 0.00 -0.39 0.00 0.00 57.03 57.06 1r9p h ASP 112 Cb 1.24 0.00 0.02 0.00 0.68 0.00 0.00 39.33 41.27 1r9p h ASP 112 CO -0.81 0.00 -0.74 0.00 -1.61 0.00 0.00 179.24 176.08 1r9p h ALA 113 N 2.17 -0.07 -0.77 -0.78 0.00 1.09 -1.91 119.26 119.00 1r9p h ALA 113 Ca 0.00 -0.69 -0.05 0.00 0.00 0.00 0.00 54.91 54.17 1r9p h ALA 113 Cb 0.27 0.10 -0.03 0.00 0.00 0.00 0.00 17.79 18.13 1r9p h ALA 113 CO 0.00 0.35 0.27 0.97 0.00 0.00 0.00 179.25 180.84 1r9p h ILE 114 N -0.44 1.26 -0.15 0.00 6.09 -1.09 -2.12 117.51 121.06 1r9p h ILE 114 Ca -0.13 -0.88 -0.15 0.00 -1.37 0.00 0.00 64.86 62.33 1r9p h ILE 114 Cb 1.57 0.39 -0.01 0.00 0.47 0.00 0.00 36.82 39.24 1r9p h ILE 114 CO 0.13 0.35 -0.53 0.11 -3.07 0.00 0.00 178.15 175.14 1r9p h LYS 115 N 1.13 0.42 0.31 2.19 1.57 -1.59 -2.62 116.57 117.99 1r9p h LYS 115 Ca 0.25 -0.25 -0.02 0.00 -1.87 0.00 0.00 60.65 58.76 1r9p h LYS 115 Cb 0.27 0.03 0.00 0.00 0.08 0.00 0.00 32.23 32.61 1r9p h LYS 115 CO -0.01 0.85 -0.15 0.00 -0.57 0.00 0.00 179.45 179.56 1r9p h ALA 116 N 1.11 -0.42 -0.98 3.86 0.00 -0.84 -1.96 119.26 120.03 1r9p h ALA 116 Ca 0.01 -0.10 0.03 0.00 0.00 0.00 0.00 54.91 54.85 1r9p h ALA 116 Cb 1.04 0.16 -0.06 0.00 0.00 0.00 0.00 17.79 18.94 1r9p h ALA 116 CO 0.09 -0.73 0.64 0.00 0.00 0.00 0.00 179.25 179.25 1r9p h ALA 117 N 0.25 1.28 -0.05 0.00 0.00 -1.40 -0.02 119.26 119.33 1r9p h ALA 117 Ca -0.04 -0.05 0.01 0.00 0.00 0.00 0.00 54.91 54.83 1r9p h ALA 117 Cb 0.33 -0.36 -0.00 0.00 0.00 0.00 0.00 17.79 17.76 1r9p h ALA 117 CO 0.07 0.55 0.04 0.82 0.00 0.00 0.00 179.25 180.73 1r9p h ILE 118 N 1.26 0.85 0.07 0.00 2.04 -1.09 0.10 117.51 120.74 1r9p h ILE 118 Ca 0.38 0.00 -0.15 0.00 1.00 0.00 0.00 64.86 66.09 1r9p h ILE 118 Cb -0.03 0.97 0.00 0.00 -0.74 0.00 0.00 36.82 37.02 1r9p h ILE 118 CO -0.11 0.00 -0.72 0.00 0.00 0.00 0.00 178.15 177.32 1r9p h ALA 119 N 1.97 0.04 0.00 1.87 0.00 -0.29 -2.53 119.26 120.32 1r9p h ALA 119 Ca 0.02 -0.78 0.00 0.00 0.00 0.00 0.00 54.91 54.15 1r9p h ALA 119 Cb 0.10 0.23 0.00 0.00 0.00 0.00 0.00 17.79 18.11 1r9p h ALA 119 CO -0.00 0.38 0.00 -3.47 0.00 0.00 0.00 179.25 176.16 1r9p n ASP 120 N -4.29 0.00 -0.10 0.00 -0.08 -0.41 -0.52 116.55 111.15 1r9p n ASP 120 Ca -0.17 0.38 -0.22 0.00 -1.51 0.00 0.00 54.79 53.27 1r9p n ASP 120 Cb 0.70 -0.44 -0.12 0.00 2.34 0.00 0.00 41.12 43.60 1r9p n ASP 120 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1r9p n TYR 121 N -1.44 0.41 1.26 -0.67 9.36 0.32 -4.01 117.16 122.39 1r9p n TYR 121 Ca 0.05 0.12 0.13 0.00 3.32 0.00 0.00 57.90 61.52 1r9p n TYR 121 Cb 0.17 -1.05 0.44 0.00 -0.63 0.00 0.00 39.34 38.26 1r9p n TYR 121 CO 0.00 0.00 0.00 1.17 0.22 0.00 0.00 176.86 178.25 1r9p n LYS 122 N -3.69 0.69 0.10 2.98 4.81 -0.95 -3.62 118.16 118.47 1r9p n LYS 122 Ca -0.43 -0.36 0.09 0.00 -0.87 0.00 0.00 58.31 56.74 1r9p n LYS 122 Cb 0.94 -1.49 -0.01 0.00 0.02 0.00 0.00 35.03 34.49 1r9p n LYS 122 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1r9p h ALA 123 N 3.58 0.55 -0.79 3.14 0.00 -0.99 -3.36 119.26 121.40 1r9p h ALA 123 Ca 0.00 -0.16 -0.61 0.00 0.00 0.00 0.00 54.91 54.15 1r9p h ALA 123 Cb 0.46 0.05 -0.23 0.00 0.00 0.00 0.00 17.79 18.08 1r9p h ALA 123 CO 0.00 0.17 0.73 1.63 0.00 0.00 0.00 179.25 181.79 1r9p n LYS 124 N -2.74 2.50 0.00 0.00 4.76 -1.24 -4.15 118.16 117.29 1r9p n LYS 124 Ca -0.01 -2.85 0.00 0.00 -2.87 0.00 0.00 58.31 52.58 1r9p n LYS 124 Cb 0.60 -2.15 0.00 0.00 -1.84 0.00 0.00 35.03 31.65 1r9p n LYS 124 CO 0.00 0.00 0.00 1.04 -1.37 0.00 0.00 177.40 177.07 1r9p n GLN 125 N -0.05 1.03 0.00 1.97 1.13 -1.26 -4.55 117.38 115.65 1r9p n GLN 125 Ca 0.51 0.00 0.00 0.00 -1.94 0.00 0.00 57.00 55.57 1r9p n GLN 125 Cb 0.46 -0.74 0.00 0.00 0.11 0.00 0.00 30.24 30.07 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 2.07 0.49 2.42 1.08 0.00 -1.26 -4.95 105.19 105.04 1r9p n GLY 126 Ca 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.73 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 0.00 5.44 -4.58 0.99 7.94 -1.26 -4.96 117.00 120.57 1r9p n LEU 127 Ca 0.00 -4.97 -0.19 0.00 -1.11 0.00 0.00 56.01 49.74 1r9p n LEU 127 Cb 0.00 -0.57 -0.10 0.00 0.53 0.00 0.00 43.42 43.29 1r9p n LEU 127 CO 0.00 2.07 1.22 -1.61 -1.11 0.00 0.00 177.39 177.96 1r9p s GLU 128 N -3.66 1.56 -1.36 1.96 8.01 -1.26 -4.77 118.70 119.18 1r9p s GLU 128 Ca 0.51 -0.67 -0.08 0.00 0.01 0.00 0.00 54.97 54.73 1r9p s GLU 128 Cb 0.42 -5.06 0.11 0.00 -4.31 0.00 0.00 34.13 25.28 1r9p s GLU 128 CO -0.16 -5.08 2.24 1.58 0.01 0.00 0.00 175.26 173.85 1r9p n HIS 129 N 18.15 2.78 0.00 1.61 -0.00 -1.26 -4.75 115.22 131.75 1r9p n HIS 129 Ca 0.42 -2.85 0.00 0.00 0.46 0.00 0.00 57.72 55.75 1r9p n HIS 129 Cb 0.47 -2.02 0.00 0.00 -0.12 0.00 0.00 29.99 28.32 1r9p n HIS 129 CO 0.00 0.00 0.00 1.58 0.46 0.00 0.00 176.34 178.38 1r9p n HIS 130 N 3.16 0.00 -2.91 1.57 -0.00 -1.26 -5.03 115.22 110.76 1r9p n HIS 130 Ca 0.55 0.00 -0.02 0.00 -0.00 0.00 0.00 57.72 58.25 1r9p n HIS 130 Cb 0.30 0.00 0.01 0.00 -0.00 0.00 0.00 29.99 30.30 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 0.08 -1.47 0.54 1.57 2.46 -1.26 -5.16 115.29 112.05 1r9p s HIS 131 Ca 0.00 -0.21 0.00 0.00 0.47 0.00 0.00 55.06 55.33 1r9p s HIS 131 Cb 0.00 0.28 0.03 0.00 -0.13 0.00 0.00 32.58 32.76 1r9p s HIS 131 CO 0.00 -1.09 0.77 -3.38 -2.47 0.00 0.00 174.74 168.57 1r9p s HIS 132 N 1.28 2.95 -0.65 3.88 -3.43 -1.26 -4.91 115.29 113.15 1r9p s HIS 132 Ca 0.24 0.08 -0.35 0.00 -0.80 0.00 0.00 55.06 54.23 1r9p s HIS 132 Cb -0.00 -2.68 -0.17 0.00 -1.43 0.00 0.00 32.58 28.30 1r9p s HIS 132 CO -0.07 -0.79 2.39 0.72 -2.00 0.00 0.00 174.74 175.00 1r9p n HIS 133 N -2.32 1.06 -0.04 0.38 8.25 -1.26 -5.27 115.22 116.02 1r9p n HIS 133 Ca 0.06 0.44 0.00 0.00 -0.26 0.00 0.00 57.72 57.96 1r9p n HIS 133 Cb 0.59 -2.42 0.00 0.00 1.12 0.00 0.00 29.99 29.28 1r9p n HIS 133 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70