#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 -2.62 -0.07 3.04 0.00 -1.26 -4.44 120.51 115.16 1r9p n ALA 2 Ca 0.00 0.61 -0.10 0.00 0.00 0.00 0.00 53.44 53.94 1r9p n ALA 2 Cb 0.00 -1.37 -0.07 0.00 0.00 0.00 0.00 19.45 18.01 1r9p n ALA 2 CO 0.00 0.00 0.00 1.88 0.00 0.00 0.00 177.50 179.38 1r9p h TYR 3 N -0.66 -1.23 -0.87 0.00 -1.99 -2.10 -3.40 116.97 106.73 1r9p h TYR 3 Ca -0.09 0.06 -0.76 0.00 2.00 0.00 0.00 58.73 59.94 1r9p h TYR 3 Cb 0.99 0.57 0.01 0.00 2.00 0.00 0.00 36.73 40.30 1r9p h TYR 3 CO 0.05 -0.37 0.57 0.45 -0.00 0.00 0.00 178.16 178.87 1r9p n SER 4 N -4.65 1.00 -2.60 3.88 2.88 -1.26 -4.83 113.62 108.04 1r9p n SER 4 Ca -0.03 1.03 -0.13 0.00 -1.33 0.00 0.00 58.87 58.41 1r9p n SER 4 Cb 0.26 -0.76 0.02 0.00 -0.75 0.00 0.00 64.21 62.98 1r9p n SER 4 CO 0.00 0.00 0.00 -1.84 -1.23 0.00 0.00 175.04 171.97 1r9p n GLU 5 N 3.37 1.93 0.00 -1.46 0.28 -1.26 -4.59 120.64 118.91 1r9p n GLU 5 Ca 0.26 -3.65 0.00 0.00 -0.16 0.00 0.00 57.16 53.62 1r9p n GLU 5 Cb -0.05 -1.60 0.00 0.00 1.43 0.00 0.00 31.44 31.22 1r9p n GLU 5 CO 0.00 0.00 0.00 1.63 -0.16 0.00 0.00 177.13 178.60 1r9p n LYS 6 N -0.27 2.02 0.00 3.44 5.02 -1.26 -5.04 118.16 122.07 1r9p n LYS 6 Ca 0.18 -0.25 0.00 0.00 -2.02 0.00 0.00 58.31 56.22 1r9p n LYS 6 Cb 0.79 -0.73 0.00 0.00 -0.02 0.00 0.00 35.03 35.07 1r9p n LYS 6 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 1r9p n VAL 7 N -0.36 0.00 -2.97 -0.18 0.31 -1.26 -4.90 118.33 108.96 1r9p n VAL 7 Ca 0.00 0.00 -0.01 0.00 -0.01 0.00 0.00 64.34 64.32 1r9p n VAL 7 Cb 0.02 -0.33 -0.01 0.00 -0.91 0.00 0.00 33.84 32.61 1r9p n VAL 7 CO 0.00 0.00 0.00 -0.38 -1.32 0.00 0.00 176.83 175.13 1r9p n ILE 8 N 0.00 -3.73 -2.39 2.52 2.08 -1.26 -4.91 119.36 111.68 1r9p n ILE 8 Ca 0.00 0.64 -0.18 0.00 0.56 0.00 0.00 62.75 63.77 1r9p n ILE 8 Cb 0.00 -3.43 0.02 0.00 -0.75 0.00 0.00 39.64 35.48 1r9p n ILE 8 CO 0.00 0.00 0.00 0.47 0.56 0.00 0.00 176.55 177.58 1r9p n ASP 9 N 2.35 3.77 0.00 4.38 8.00 -1.26 -4.68 116.55 129.12 1r9p n ASP 9 Ca -0.10 -3.28 0.00 0.00 0.71 0.00 0.00 54.79 52.12 1r9p n ASP 9 Cb 0.15 -0.42 0.00 0.00 -0.02 0.00 0.00 41.12 40.83 1r9p n ASP 9 CO 0.00 0.00 0.00 1.41 -0.39 0.00 0.00 177.20 178.22 1r9p n HIS 10 N -0.54 0.00 -1.96 1.24 8.25 -1.26 -5.13 115.22 115.82 1r9p n HIS 10 Ca 0.31 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.77 1r9p n HIS 10 Cb 0.83 0.05 0.00 0.00 1.12 0.00 0.00 29.99 32.00 1r9p n HIS 10 CO 0.00 0.00 0.00 0.98 0.64 0.00 0.00 176.34 177.96 1r9p n TYR 11 N 0.00 -4.98 -1.54 4.41 9.36 -1.26 -4.39 117.16 118.76 1r9p n TYR 11 Ca 0.00 2.63 -0.28 0.00 3.32 0.00 0.00 57.90 63.57 1r9p n TYR 11 Cb 0.39 -3.74 -0.09 0.00 -0.63 0.00 0.00 39.34 35.26 1r9p n TYR 11 CO 0.00 0.00 0.00 0.39 0.22 0.00 0.00 176.86 177.47 1r9p n GLU 12 N 0.69 0.54 -4.33 2.98 1.02 -1.26 -4.89 120.64 115.40 1r9p n GLU 12 Ca 0.00 -0.26 -0.32 0.00 -0.02 0.00 0.00 57.16 56.57 1r9p n GLU 12 Cb 0.00 -2.79 -0.09 0.00 -0.02 0.00 0.00 31.44 28.54 1r9p n GLU 12 CO 0.00 0.00 0.00 -0.80 1.18 0.00 0.00 177.13 177.51 1r9p s ASN 13 N 9.40 4.82 0.42 1.62 0.01 -1.26 -5.10 114.94 124.85 1r9p s ASN 13 Ca 1.09 -0.13 -0.24 0.00 -0.71 0.00 0.00 52.86 52.86 1r9p s ASN 13 Cb -0.47 -1.15 -0.08 0.00 0.41 0.00 0.00 41.25 39.96 1r9p s ASN 13 CO 0.30 0.25 1.13 -2.16 -1.51 0.00 0.00 177.10 175.11 1r9p s PRO 14 N -1.69 4.00 -0.16 -0.60 0.04 -1.26 -4.97 135.00 130.35 1r9p s PRO 14 Ca 0.20 1.72 0.19 0.00 0.04 0.00 0.00 61.00 63.15 1r9p s PRO 14 Cb -0.11 -2.56 0.45 0.00 0.04 0.00 0.00 34.50 32.32 1r9p s PRO 14 CO 0.11 -0.33 1.17 -2.13 0.04 0.00 0.00 177.00 175.85 1r9p n ARG 15 N -0.13 1.40 -2.80 4.56 0.63 -1.26 -5.07 116.66 113.98 1r9p n ARG 15 Ca 0.05 -3.04 -0.08 0.00 -0.92 0.00 0.00 57.85 53.86 1r9p n ARG 15 Cb 0.48 -1.15 -0.02 0.00 0.45 0.00 0.00 32.46 32.21 1r9p n ARG 15 CO 0.00 0.00 0.00 0.09 -2.51 0.00 0.00 177.63 175.21 1r9p n ASN 16 N -0.35 0.74 0.00 6.15 4.13 -1.26 -5.16 115.26 119.51 1r9p n ASN 16 Ca 0.15 -1.74 0.00 0.00 1.68 0.00 0.00 54.58 54.68 1r9p n ASN 16 Cb 0.93 0.40 0.00 0.00 -1.54 0.00 0.00 39.78 39.57 1r9p n ASN 16 CO 0.00 0.00 0.00 1.33 0.28 0.00 0.00 177.26 178.87 1r9p n VAL 17 N -0.29 0.00 0.15 2.41 0.24 -1.26 -5.01 118.33 114.58 1r9p n VAL 17 Ca -0.01 0.00 0.04 0.00 -2.04 0.00 0.00 64.34 62.33 1r9p n VAL 17 Cb 0.21 0.00 0.07 0.00 -1.47 0.00 0.00 33.84 32.65 1r9p n VAL 17 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1r9p n GLY 18 N 5.00 0.78 3.54 7.63 0.00 -1.26 -5.00 105.19 115.88 1r9p n GLY 18 Ca 0.00 -0.26 -0.25 0.00 0.00 0.00 0.00 46.02 45.51 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 -0.82 3.77 -0.05 1.61 0.15 -1.26 -4.97 113.70 112.12 1r9p s SER 19 Ca 0.13 -1.13 -0.01 0.00 0.70 0.00 0.00 55.95 55.64 1r9p s SER 19 Cb 0.08 -0.37 -0.00 0.00 -1.71 0.00 0.00 66.02 64.02 1r9p s SER 19 CO 0.11 -0.15 -0.02 -0.07 1.20 0.00 0.00 173.24 174.31 1r9p h LEU 20 N 2.05 0.00 -2.01 3.45 3.38 -1.97 -3.44 115.31 116.77 1r9p h LEU 20 Ca -0.42 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.54 1r9p h LEU 20 Cb 1.25 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.98 1r9p h LEU 20 CO 0.68 0.28 -0.50 0.47 0.09 0.00 0.00 178.44 179.45 1r9p n ASP 21 N -3.40 0.06 -0.04 -0.43 9.92 -1.26 -4.95 116.55 116.44 1r9p n ASP 21 Ca -0.01 -1.94 -0.00 0.00 -0.53 0.00 0.00 54.79 52.31 1r9p n ASP 21 Cb 0.03 -0.19 -0.00 0.00 -0.64 0.00 0.00 41.12 40.31 1r9p n ASP 21 CO 0.00 0.00 0.00 0.29 0.13 0.00 0.00 177.20 177.62 1r9p n LYS 22 N 0.03 -1.97 0.00 -1.24 5.02 -1.26 -4.66 118.16 114.07 1r9p n LYS 22 Ca 0.00 0.28 0.08 0.00 -2.02 0.00 0.00 58.31 56.65 1r9p n LYS 22 Cb 0.72 -3.86 0.48 0.00 -0.02 0.00 0.00 35.03 32.34 1r9p n LYS 22 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 1r9p n LYS 23 N 0.46 0.77 0.00 1.97 4.76 -1.26 -4.97 118.16 119.89 1r9p n LYS 23 Ca -0.00 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.44 1r9p n LYS 23 Cb 0.27 -1.33 0.00 0.00 -1.84 0.00 0.00 35.03 32.13 1r9p n LYS 23 CO 0.00 0.00 0.00 -3.47 -1.37 0.00 0.00 177.40 172.56 1r9p n ASP 24 N -0.83 0.00 0.00 4.39 -0.08 -1.26 -4.81 116.55 113.97 1r9p n ASP 24 Ca 0.12 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.40 1r9p n ASP 24 Cb 0.06 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.52 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 -1.78 0.00 0.00 1.67 7.64 -1.26 -4.19 113.62 115.69 1r9p n SER 25 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.88 1r9p n SER 25 Cb 0.00 -0.73 0.00 0.00 -1.01 0.00 0.00 64.21 62.47 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 0.00 -3.35 6.43 6.94 -1.26 -5.04 115.26 118.98 1r9p n ASN 26 Ca 0.00 0.00 -0.15 0.00 -0.02 0.00 0.00 54.58 54.41 1r9p n ASN 26 Cb 0.00 0.00 -0.08 0.00 -2.36 0.00 0.00 39.78 37.34 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 -0.44 -0.10 3.53 1.01 -1.26 -1.99 120.40 121.15 1r9p s VAL 27 Ca 0.00 -0.67 -0.28 0.00 0.00 0.00 0.00 61.98 61.03 1r9p s VAL 27 Cb 0.00 -0.79 -0.02 0.00 0.00 0.00 0.00 36.38 35.57 1r9p s VAL 27 CO 0.00 -0.47 0.91 -0.83 0.00 0.00 0.00 175.10 174.71 1r9p s GLY 28 N 1.92 2.40 0.02 4.51 0.00 -1.11 -4.69 107.32 110.38 1r9p s GLY 28 Ca 0.13 0.27 0.05 0.00 0.00 0.00 0.00 44.72 45.17 1r9p s GLY 28 CO -0.17 1.72 -0.10 -1.59 0.00 0.00 0.00 173.10 172.96 1r9p s THR 29 N 1.75 3.40 -0.17 0.90 2.01 -1.26 -2.11 115.64 120.17 1r9p s THR 29 Ca 0.45 -0.93 -0.08 0.00 0.31 0.00 0.00 61.69 61.44 1r9p s THR 29 Cb -0.18 -2.48 0.07 0.00 0.01 0.00 0.00 72.50 69.92 1r9p s THR 29 CO 0.18 0.35 0.39 -0.83 -0.69 0.00 0.00 174.62 174.02 1r9p s GLY 30 N -1.50 -0.31 -0.32 4.40 0.00 -1.12 -3.78 107.32 104.70 1r9p s GLY 30 Ca 0.17 1.45 -0.01 0.00 0.00 0.00 0.00 44.72 46.33 1r9p s GLY 30 CO 0.08 1.83 0.12 -0.29 0.00 0.00 0.00 173.10 174.84 1r9p s MET 31 N 1.73 0.67 0.43 2.90 1.75 -1.26 -0.89 119.30 124.62 1r9p s MET 31 Ca -0.07 -1.09 0.08 0.00 -1.25 0.00 0.00 55.69 53.36 1r9p s MET 31 Cb -0.10 -1.83 -0.02 0.00 2.84 0.00 0.00 34.83 35.72 1r9p s MET 31 CO -0.12 -1.02 0.37 0.14 -0.65 0.00 0.00 175.02 173.74 1r9p s VAL 32 N 1.54 2.55 0.06 10.11 -7.23 -0.84 -4.97 120.40 121.63 1r9p s VAL 32 Ca 0.11 -1.37 -0.03 0.00 -1.81 0.00 0.00 61.98 58.88 1r9p s VAL 32 Cb -0.18 -2.93 -0.03 0.00 0.56 0.00 0.00 36.38 33.80 1r9p s VAL 32 CO -0.23 0.00 0.02 -0.83 -0.31 0.00 0.00 175.10 173.74 1r9p s GLY 33 N -4.13 0.41 -0.41 2.32 0.00 -1.26 -1.43 107.32 102.82 1r9p s GLY 33 Ca 0.47 -1.10 0.02 0.00 0.00 0.00 0.00 44.72 44.11 1r9p s GLY 33 CO 0.27 -1.22 0.19 0.00 0.00 0.00 0.00 173.10 172.35 1r9p s ALA 34 N -3.91 2.13 0.23 3.20 0.00 -0.91 -4.96 121.76 117.54 1r9p s ALA 34 Ca 0.07 -2.42 0.12 0.00 0.00 0.00 0.00 51.96 49.73 1r9p s ALA 34 Cb 0.07 -1.85 0.66 0.00 0.00 0.00 0.00 23.12 22.00 1r9p s ALA 34 CO -0.10 -1.94 1.26 -1.35 0.00 0.00 0.00 175.76 173.63 1r9p h PRO 35 N 7.10 0.00 0.25 0.00 0.11 -1.96 0.95 132.00 138.45 1r9p h PRO 35 Ca -0.05 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 66.05 1r9p h PRO 35 Cb 0.95 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.06 1r9p h PRO 35 CO 0.49 0.00 -0.12 0.00 -0.21 0.00 0.00 178.00 178.16 1r9p h ALA 36 N 0.89 -0.34 -0.56 -0.75 0.00 -1.97 -3.30 119.26 113.22 1r9p h ALA 36 Ca 0.00 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.74 1r9p h ALA 36 Cb 0.90 0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.82 1r9p h ALA 36 CO 0.00 -0.36 0.00 0.00 0.00 0.00 0.00 179.25 178.89 1r9p n GLY 38 N 0.58 -0.58 3.02 0.00 0.00 0.23 -4.39 105.19 104.06 1r9p n GLY 38 Ca 0.27 0.25 -0.25 0.00 0.00 0.00 0.00 46.02 46.29 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 -3.86 1.81 -0.25 1.61 -1.08 -1.21 -4.80 116.67 108.88 1r9p s ASP 39 Ca 0.34 -0.30 -0.12 0.00 -0.52 0.00 0.00 52.55 51.94 1r9p s ASP 39 Cb -0.19 -0.84 -0.05 0.00 -1.46 0.00 0.00 42.92 40.39 1r9p s ASP 39 CO 0.80 0.03 0.25 0.68 0.52 0.00 0.00 175.17 177.45 1r9p s VAL 40 N 0.69 5.28 -0.28 1.11 -7.23 -1.26 -2.14 120.40 116.57 1r9p s VAL 40 Ca -0.14 0.33 -0.07 0.00 -1.81 0.00 0.00 61.98 60.30 1r9p s VAL 40 Cb -0.16 -3.58 0.00 0.00 0.56 0.00 0.00 36.38 33.20 1r9p s VAL 40 CO 0.03 0.26 0.07 -0.32 -0.31 0.00 0.00 175.10 174.84 1r9p s MET 41 N 1.53 3.16 -0.29 4.82 1.75 -0.51 -3.98 119.30 125.77 1r9p s MET 41 Ca 0.11 -0.81 -0.05 0.00 -1.25 0.00 0.00 55.69 53.69 1r9p s MET 41 Cb -0.15 -3.34 0.02 0.00 2.84 0.00 0.00 34.83 34.21 1r9p s MET 41 CO 0.08 -0.40 0.04 -1.14 -0.65 0.00 0.00 175.02 172.95 1r9p s GLN 42 N 1.51 2.88 0.14 4.11 0.74 -0.22 -1.98 119.66 126.83 1r9p s GLN 42 Ca 0.03 -0.98 0.04 0.00 0.05 0.00 0.00 55.36 54.49 1r9p s GLN 42 Cb -0.17 -3.26 -0.04 0.00 1.10 0.00 0.00 33.01 30.64 1r9p s GLN 42 CO 0.02 -0.49 0.17 -1.17 -0.55 0.00 0.00 175.29 173.28 1r9p s LEU 43 N 1.41 3.99 -0.18 3.68 2.96 -0.07 -1.99 118.68 128.48 1r9p s LEU 43 Ca 0.00 0.01 -0.04 0.00 -0.22 0.00 0.00 54.13 53.88 1r9p s LEU 43 Cb -0.18 -2.61 0.08 0.00 0.50 0.00 0.00 46.19 43.99 1r9p s LEU 43 CO 0.00 0.09 0.19 -1.10 -1.32 0.00 0.00 176.35 174.22 1r9p s GLN 44 N -2.96 0.15 0.01 1.98 -1.52 -0.81 -2.77 119.66 113.73 1r9p s GLN 44 Ca 0.32 0.21 -0.01 0.00 -1.95 0.00 0.00 55.36 53.92 1r9p s GLN 44 Cb -0.11 -1.19 -0.04 0.00 -0.22 0.00 0.00 33.01 31.46 1r9p s GLN 44 CO 0.25 -0.61 0.16 0.42 -0.25 0.00 0.00 175.29 175.26 1r9p s ILE 45 N 2.29 5.22 -0.09 1.08 1.01 -0.90 -0.59 121.20 129.23 1r9p s ILE 45 Ca 0.05 -0.28 0.00 0.00 0.00 0.00 0.00 60.65 60.42 1r9p s ILE 45 Cb -0.15 -3.45 0.02 0.00 0.01 0.00 0.00 42.46 38.89 1r9p s ILE 45 CO -0.11 0.29 -0.07 -0.75 0.00 0.00 0.00 174.94 174.31 1r9p s LYS 46 N -2.00 1.29 -0.05 2.79 2.20 -0.56 -2.75 119.74 120.66 1r9p s LYS 46 Ca 0.28 -0.19 0.01 0.00 -0.36 0.00 0.00 55.97 55.71 1r9p s LYS 46 Cb -0.13 -1.34 -0.03 0.00 -1.51 0.00 0.00 37.83 34.82 1r9p s LYS 46 CO 0.19 -0.20 -0.07 0.14 -0.36 0.00 0.00 175.35 175.06 1r9p s VAL 47 N 1.48 3.71 0.00 4.02 -7.23 -0.84 -0.47 120.40 121.06 1r9p s VAL 47 Ca -0.00 -0.55 0.00 0.00 -1.81 0.00 0.00 61.98 59.61 1r9p s VAL 47 Cb -0.13 -2.54 0.00 0.00 0.56 0.00 0.00 36.38 34.27 1r9p s VAL 47 CO -0.05 0.54 0.00 0.47 -0.31 0.00 0.00 175.10 175.76 1r9p n ASP 48 N 2.04 0.00 -2.22 4.85 8.00 -0.55 -4.78 116.55 123.89 1r9p n ASP 48 Ca -0.17 0.00 -0.01 0.00 0.71 0.00 0.00 54.79 55.32 1r9p n ASP 48 Cb 0.53 0.00 -0.01 0.00 -0.02 0.00 0.00 41.12 41.61 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 -0.69 0.72 -1.24 -2.24 9.92 -1.19 -4.10 116.55 117.74 1r9p n ASP 49 Ca 0.00 -1.44 -0.01 0.00 -0.53 0.00 0.00 54.79 52.80 1r9p n ASP 49 Cb 0.00 -0.18 0.01 0.00 -0.64 0.00 0.00 41.12 40.31 1r9p n ASP 49 CO 0.00 0.00 0.00 0.59 0.13 0.00 0.00 177.20 177.92 1r9p n ASN 50 N 2.50 -2.05 0.00 -2.24 3.02 -1.26 -3.50 115.26 111.73 1r9p n ASN 50 Ca 0.03 -0.05 0.00 0.00 -0.03 0.00 0.00 54.58 54.54 1r9p n ASN 50 Cb 0.10 -0.85 0.00 0.00 -0.61 0.00 0.00 39.78 38.42 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 -1.07 1.90 3.91 7.41 0.00 -1.26 -5.01 105.19 111.07 1r9p n GLY 51 Ca -0.02 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.72 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 -3.24 4.98 -0.81 -0.61 -1.09 -1.23 -4.50 121.20 114.70 1r9p s ILE 52 Ca 0.00 0.08 -0.25 0.00 -2.23 0.00 0.00 60.65 58.25 1r9p s ILE 52 Cb 0.00 -3.78 -0.01 0.00 -1.58 0.00 0.00 42.46 37.09 1r9p s ILE 52 CO 0.00 -0.49 1.72 -0.63 -1.23 0.00 0.00 174.94 174.31 1r9p s ILE 53 N -2.29 3.56 0.59 2.92 1.01 -0.70 -1.48 121.20 124.82 1r9p s ILE 53 Ca 0.45 -0.15 0.30 0.00 0.00 0.00 0.00 60.65 61.25 1r9p s ILE 53 Cb -0.10 -4.34 0.36 0.00 0.01 0.00 0.00 42.46 38.38 1r9p s ILE 53 CO 0.34 -1.28 2.25 -0.08 0.00 0.00 0.00 174.94 176.17 1r9p h GLU 54 N 11.88 0.00 -2.08 2.79 4.81 -1.08 -0.27 114.58 130.63 1r9p h GLU 54 Ca -0.05 0.00 0.21 0.00 -0.13 0.00 0.00 59.36 59.39 1r9p h GLU 54 Cb 1.06 0.00 -0.10 0.00 0.63 0.00 0.00 28.75 30.34 1r9p h GLU 54 CO 1.27 0.00 0.58 -0.51 -0.73 0.00 0.00 179.01 179.62 1r9p s ASP 55 N -6.10 -0.17 -0.20 1.04 1.11 -1.16 -4.68 116.67 106.51 1r9p s ASP 55 Ca -0.05 -0.28 -0.12 0.00 0.18 0.00 0.00 52.55 52.28 1r9p s ASP 55 Cb 0.15 0.38 0.06 0.00 1.07 0.00 0.00 42.92 44.59 1r9p s ASP 55 CO 0.54 -0.70 0.49 0.00 1.18 0.00 0.00 175.17 176.68 1r9p s ALA 56 N -3.02 -1.28 0.31 5.23 0.00 -1.26 -1.50 121.76 120.24 1r9p s ALA 56 Ca 0.12 1.74 0.08 0.00 0.00 0.00 0.00 51.96 53.90 1r9p s ALA 56 Cb 0.00 -1.04 -0.04 0.00 0.00 0.00 0.00 23.12 22.04 1r9p s ALA 56 CO -0.01 -0.29 0.12 0.15 0.00 0.00 0.00 175.76 175.73 1r9p s LYS 57 N 1.33 2.44 0.16 0.00 -0.14 0.25 -4.99 119.74 118.79 1r9p s LYS 57 Ca -0.09 -1.44 -0.03 0.00 -1.36 0.00 0.00 55.97 53.06 1r9p s LYS 57 Cb -0.07 -2.24 -0.03 0.00 -1.68 0.00 0.00 37.83 33.81 1r9p s LYS 57 CO -0.13 0.21 0.14 -0.59 -0.76 0.00 0.00 175.35 174.22 1r9p s PHE 58 N -2.36 0.81 -0.30 3.18 -0.71 -1.26 -1.92 117.98 115.42 1r9p s PHE 58 Ca 0.36 -1.15 -0.08 0.00 -1.04 0.00 0.00 56.93 55.02 1r9p s PHE 58 Cb -0.04 -0.38 0.19 0.00 -1.21 0.00 0.00 43.02 41.57 1r9p s PHE 58 CO 0.22 -0.61 0.96 0.21 -1.34 0.00 0.00 175.22 174.66 1r9p s LYS 59 N -4.06 0.23 -0.14 1.99 2.36 -0.84 -4.99 119.74 114.29 1r9p s LYS 59 Ca 0.26 0.25 -0.19 0.00 -2.55 0.00 0.00 55.97 53.74 1r9p s LYS 59 Cb 0.06 0.12 0.05 0.00 -1.05 0.00 0.00 37.83 37.01 1r9p s LYS 59 CO 0.04 -0.40 0.50 -0.08 1.55 0.00 0.00 175.35 176.95 1r9p s THR 60 N 2.93 0.01 -0.28 3.43 -1.32 -1.26 -1.06 115.64 118.10 1r9p s THR 60 Ca 0.21 -0.09 -0.20 0.00 -1.21 0.00 0.00 61.69 60.40 1r9p s THR 60 Cb -0.04 -0.73 0.09 0.00 -1.51 0.00 0.00 72.50 70.30 1r9p s THR 60 CO -0.22 -0.05 0.77 -0.72 -2.21 0.00 0.00 174.62 172.19 1r9p s TYR 61 N -0.25 -0.85 0.00 9.09 1.13 -1.26 -4.75 117.35 120.46 1r9p s TYR 61 Ca -0.04 1.86 0.00 0.00 -1.41 0.00 0.00 57.07 57.47 1r9p s TYR 61 Cb -0.03 0.44 0.00 0.00 -1.10 0.00 0.00 41.96 41.27 1r9p s TYR 61 CO 0.03 -0.42 0.00 0.41 -2.51 0.00 0.00 175.55 173.06 1r9p n GLY 62 N 3.44 1.41 3.85 5.49 0.00 -1.26 -4.32 105.19 113.80 1r9p n GLY 62 Ca -0.17 -0.06 -0.29 0.00 0.00 0.00 0.00 46.02 45.50 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 -2.80 5.75 0.96 0.00 0.00 -1.26 -4.50 105.19 103.34 1r9p n GLY 64 Ca 0.07 -2.19 0.00 0.00 0.00 0.00 0.00 46.02 43.90 1r9p n GLY 64 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1r9p n SER 65 N -0.93 0.00 -0.34 1.61 2.88 -1.26 -4.93 113.62 110.65 1r9p n SER 65 Ca 0.61 0.00 0.22 0.00 -1.33 0.00 0.00 58.87 58.37 1r9p n SER 65 Cb 0.79 0.24 0.48 0.00 -0.75 0.00 0.00 64.21 64.97 1r9p n SER 65 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1r9p h ALA 66 N 0.00 2.12 0.00 -1.46 0.00 -1.98 0.58 119.26 118.51 1r9p h ALA 66 Ca 0.00 0.09 0.00 0.00 0.00 0.00 0.00 54.91 55.00 1r9p h ALA 66 Cb 0.00 0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.83 1r9p h ALA 66 CO 0.00 -0.56 0.61 0.82 0.00 0.00 0.00 179.25 180.12 1r9p h ILE 67 N 0.43 0.00 0.05 0.00 2.04 -1.85 0.31 117.51 118.49 1r9p h ILE 67 Ca 0.63 0.00 -0.38 0.00 1.00 0.00 0.00 64.86 66.11 1r9p h ILE 67 Cb 1.48 0.36 -0.05 0.00 -0.74 0.00 0.00 36.82 37.88 1r9p h ILE 67 CO -0.37 0.00 -2.27 0.00 0.00 0.00 0.00 178.15 175.51 1r9p n ALA 68 N -1.70 1.20 -0.33 1.87 0.00 0.20 -4.23 120.51 117.52 1r9p n ALA 68 Ca -0.01 -0.89 0.15 0.00 0.00 0.00 0.00 53.44 52.69 1r9p n ALA 68 Cb 0.64 -0.34 0.38 0.00 0.00 0.00 0.00 19.45 20.13 1r9p n ALA 68 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 1r9p h SER 69 N 0.00 0.68 -0.91 0.00 4.64 -0.36 0.31 113.55 117.91 1r9p h SER 69 Ca -0.52 0.09 0.03 0.00 -0.47 0.00 0.00 61.79 60.92 1r9p h SER 69 Cb 1.94 -0.03 -0.05 0.00 -0.31 0.00 0.00 62.40 63.95 1r9p h SER 69 CO -0.02 0.22 0.60 0.77 -0.87 0.00 0.00 176.83 177.53 1r9p h SER 70 N 0.65 0.99 -0.63 4.97 4.64 -1.63 -1.62 113.55 120.92 1r9p h SER 70 Ca 0.57 -0.01 -0.04 0.00 -0.47 0.00 0.00 61.79 61.83 1r9p h SER 70 Cb 1.04 -0.23 -0.03 0.00 -0.31 0.00 0.00 62.40 62.87 1r9p h SER 70 CO -0.34 0.69 0.23 0.28 -0.87 0.00 0.00 176.83 176.81 1r9p h SER 71 N 1.15 0.90 0.00 4.97 0.02 -0.57 -1.24 113.55 118.79 1r9p h SER 71 Ca 0.36 -0.19 0.00 0.00 -0.84 0.00 0.00 61.79 61.12 1r9p h SER 71 Cb -0.01 -0.23 0.00 0.00 0.14 0.00 0.00 62.40 62.30 1r9p h SER 71 CO -0.10 0.85 0.00 -0.11 -1.14 0.00 0.00 176.83 176.32 1r9p n LEU 72 N -4.40 0.35 -0.45 5.07 7.94 -0.72 -0.73 117.00 124.08 1r9p n LEU 72 Ca 0.04 0.66 0.41 0.00 -1.11 0.00 0.00 56.01 56.01 1r9p n LEU 72 Cb 0.19 -0.32 0.72 0.00 0.53 0.00 0.00 43.42 44.54 1r9p n LEU 72 CO 0.40 -0.32 1.38 -0.29 -1.11 0.00 0.00 177.39 177.45 1r9p h ILE 73 N 0.00 0.14 0.09 1.96 2.10 -1.43 0.85 117.51 121.22 1r9p h ILE 73 Ca 0.00 0.00 -0.25 0.00 1.08 0.00 0.00 64.86 65.69 1r9p h ILE 73 Cb 0.00 0.16 0.02 0.00 -1.09 0.00 0.00 36.82 35.92 1r9p h ILE 73 CO 0.00 0.00 -1.04 0.71 -1.08 0.00 0.00 178.15 176.74 1r9p h THR 74 N 0.00 1.34 -0.03 2.19 1.35 -1.12 -1.54 112.91 115.09 1r9p h THR 74 Ca 0.69 -2.37 0.00 0.00 -0.55 0.00 0.00 66.41 64.19 1r9p h THR 74 Cb 3.00 2.71 0.00 0.00 -1.73 0.00 0.00 68.15 72.13 1r9p h THR 74 CO -0.01 0.71 0.00 -0.62 -0.25 0.00 0.00 175.52 175.35 1r9p n GLU 75 N -3.93 1.25 -0.05 4.72 -0.58 0.27 -3.62 120.64 118.71 1r9p n GLU 75 Ca -0.13 -0.38 -0.05 0.00 -0.42 0.00 0.00 57.16 56.19 1r9p n GLU 75 Cb 0.89 -1.41 -0.07 0.00 -0.57 0.00 0.00 31.44 30.28 1r9p n GLU 75 CO 0.00 0.00 0.00 0.91 -0.48 0.00 0.00 177.13 177.56 1r9p n TRP 76 N -0.48 0.00 -2.19 -0.32 7.02 0.28 -4.65 117.44 117.10 1r9p n TRP 76 Ca 0.18 0.00 -0.34 0.00 -1.02 0.00 0.00 57.50 56.32 1r9p n TRP 76 Cb 0.18 -0.47 0.02 0.00 -2.42 0.00 0.00 31.31 28.62 1r9p n TRP 76 CO 0.00 0.00 0.00 1.33 -2.02 0.00 0.00 177.69 177.00 1r9p n VAL 77 N -2.37 3.07 -3.95 -0.99 0.24 -0.59 -4.81 118.33 108.92 1r9p n VAL 77 Ca -0.16 -4.62 -0.31 0.00 -2.04 0.00 0.00 64.34 57.21 1r9p n VAL 77 Cb 0.81 -1.26 -0.15 0.00 -1.47 0.00 0.00 33.84 31.77 1r9p n VAL 77 CO 0.00 0.00 0.00 -0.75 -2.14 0.00 0.00 176.83 173.94 1r9p s LYS 78 N -3.83 1.51 0.00 7.34 2.20 -1.25 -4.62 119.74 121.08 1r9p s LYS 78 Ca 0.50 -1.38 0.00 0.00 -0.36 0.00 0.00 55.97 54.73 1r9p s LYS 78 Cb 0.42 -2.76 0.00 0.00 -1.51 0.00 0.00 37.83 33.98 1r9p s LYS 78 CO -0.31 -0.79 0.00 0.41 -0.36 0.00 0.00 175.35 174.30 1r9p n GLY 79 N 4.51 0.77 4.02 5.54 0.00 -0.11 -5.01 105.19 114.91 1r9p n GLY 79 Ca -0.05 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.78 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 -0.65 2.42 0.36 1.61 -0.14 -1.26 -4.65 119.74 117.43 1r9p s LYS 80 Ca 0.00 -1.40 -0.09 0.00 -1.36 0.00 0.00 55.97 53.12 1r9p s LYS 80 Cb 0.00 -2.64 -0.06 0.00 -1.68 0.00 0.00 37.83 33.45 1r9p s LYS 80 CO 0.00 -0.73 0.70 0.45 -0.76 0.00 0.00 175.35 175.01 1r9p s SER 81 N -4.56 6.51 0.65 2.83 0.15 -1.26 -1.71 113.70 116.30 1r9p s SER 81 Ca 0.60 1.00 0.43 0.00 0.70 0.00 0.00 55.95 58.68 1r9p s SER 81 Cb -0.07 -2.27 2.25 0.00 -1.71 0.00 0.00 66.02 64.22 1r9p s SER 81 CO 0.38 -0.32 2.31 -0.07 1.20 0.00 0.00 173.24 176.73 1r9p h LEU 82 N 1.44 0.00 -1.59 3.45 3.38 -1.96 -1.02 115.31 119.00 1r9p h LEU 82 Ca -0.47 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 57.45 1r9p h LEU 82 Cb 1.19 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.93 1r9p h LEU 82 CO 0.65 0.00 -0.20 -0.08 0.09 0.00 0.00 178.44 178.89 1r9p h GLU 83 N 0.00 0.00 0.06 1.13 4.81 -1.92 0.11 114.58 118.77 1r9p h GLU 83 Ca -0.00 0.00 -0.34 0.00 -0.13 0.00 0.00 59.36 58.89 1r9p h GLU 83 Cb 0.09 0.00 -0.04 0.00 0.63 0.00 0.00 28.75 29.43 1r9p h GLU 83 CO 0.00 0.20 -1.95 0.39 -0.73 0.00 0.00 179.01 176.93 1r9p n GLU 84 N -4.29 0.70 -0.08 1.92 1.02 -0.42 -4.15 120.64 115.34 1r9p n GLU 84 Ca -0.02 0.25 -0.09 0.00 -0.02 0.00 0.00 57.16 57.28 1r9p n GLU 84 Cb 0.26 -1.72 0.06 0.00 -0.02 0.00 0.00 31.44 30.03 1r9p n GLU 84 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1r9p h ALA 85 N 0.48 0.78 -0.79 0.62 0.00 -1.26 -3.14 119.26 115.94 1r9p h ALA 85 Ca -0.39 -0.41 -0.72 0.00 0.00 0.00 0.00 54.91 53.39 1r9p h ALA 85 Cb 2.03 -0.13 -0.18 0.00 0.00 0.00 0.00 17.79 19.51 1r9p h ALA 85 CO 0.07 0.65 1.64 0.41 0.00 0.00 0.00 179.25 182.02 1r9p n GLY 86 N -0.07 5.32 0.00 0.00 0.00 0.35 -4.00 105.19 106.78 1r9p n GLY 86 Ca -0.01 -2.18 0.00 0.00 0.00 0.00 0.00 46.02 43.83 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 0.98 0.00 0.14 4.61 0.00 -1.20 -4.88 120.51 120.15 1r9p n ALA 87 Ca 0.56 0.00 0.02 0.00 0.00 0.00 0.00 53.44 54.02 1r9p n ALA 87 Cb 0.30 0.00 0.13 0.00 0.00 0.00 0.00 19.45 19.88 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 -0.84 0.31 -1.20 0.00 -5.35 -1.19 -4.83 119.36 106.25 1r9p n ILE 88 Ca 0.00 0.70 0.03 0.00 -0.27 0.00 0.00 62.75 63.21 1r9p n ILE 88 Cb 0.00 -1.70 -0.01 0.00 -1.74 0.00 0.00 39.64 36.19 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 -1.75 -0.39 -0.03 6.28 5.02 -1.26 -3.26 118.16 122.77 1r9p n LYS 89 Ca -0.00 0.26 0.02 0.00 -2.02 0.00 0.00 58.31 56.57 1r9p n LYS 89 Cb 0.53 -0.48 -0.14 0.00 -0.02 0.00 0.00 35.03 34.92 1r9p n LYS 89 CO 0.00 0.00 0.00 0.27 -0.52 0.00 0.00 177.40 177.15 1r9p n ASN 90 N -3.97 0.18 0.21 4.39 6.94 -1.26 -4.17 115.26 117.58 1r9p n ASN 90 Ca 0.00 0.08 0.08 0.00 -0.02 0.00 0.00 54.58 54.72 1r9p n ASN 90 Cb 0.09 1.30 0.43 0.00 -2.36 0.00 0.00 39.78 39.24 1r9p n ASN 90 CO 0.00 0.00 0.00 -1.28 -1.03 0.00 0.00 177.26 174.95 1r9p h SER 91 N 0.00 0.00 0.17 0.53 0.87 -1.95 -2.58 113.55 110.58 1r9p h SER 91 Ca -0.20 0.00 -0.01 0.00 -1.23 0.00 0.00 61.79 60.35 1r9p h SER 91 Cb 1.50 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.46 1r9p h SER 91 CO 0.02 0.29 -0.08 -0.61 -0.53 0.00 0.00 176.83 175.92 1r9p h GLN 92 N 0.00 -0.21 -1.01 2.24 5.75 -1.71 -2.60 115.11 117.56 1r9p h GLN 92 Ca -0.00 0.01 0.23 0.00 -0.15 0.00 0.00 58.65 58.74 1r9p h GLN 92 Cb 0.75 0.05 -0.10 0.00 1.07 0.00 0.00 27.48 29.25 1r9p h GLN 92 CO 0.04 -0.14 0.63 0.97 -2.65 0.00 0.00 178.83 177.67 1r9p h ILE 93 N -0.52 0.59 -0.38 2.39 2.10 -1.70 0.15 117.51 120.14 1r9p h ILE 93 Ca -0.02 -0.19 0.01 0.00 1.08 0.00 0.00 64.86 65.74 1r9p h ILE 93 Cb 0.17 0.00 -0.02 0.00 -1.09 0.00 0.00 36.82 35.88 1r9p h ILE 93 CO 0.04 0.10 0.24 0.00 -1.08 0.00 0.00 178.15 177.45 1r9p h ALA 94 N 1.65 0.48 0.00 0.18 0.00 -1.51 -1.16 119.26 118.90 1r9p h ALA 94 Ca 0.59 -0.02 -0.04 0.00 0.00 0.00 0.00 54.91 55.43 1r9p h ALA 94 Cb 1.23 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.87 1r9p h ALA 94 CO -0.35 -0.08 -0.21 1.49 0.00 0.00 0.00 179.25 180.10 1r9p h GLU 95 N 0.50 0.00 0.00 0.00 4.81 -0.33 0.44 114.58 120.00 1r9p h GLU 95 Ca 0.14 0.00 -0.11 0.00 -0.13 0.00 0.00 59.36 59.26 1r9p h GLU 95 Cb -0.04 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 29.32 1r9p h GLU 95 CO -0.04 0.21 -0.52 1.49 -0.73 0.00 0.00 179.01 179.43 1r9p h GLU 96 N 0.00 0.00 0.06 1.92 4.22 -0.15 -3.23 114.58 117.40 1r9p h GLU 96 Ca -0.00 0.00 -0.36 0.00 0.08 0.00 0.00 59.36 59.08 1r9p h GLU 96 Cb 0.41 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.62 1r9p h GLU 96 CO 0.03 0.52 -2.10 1.28 -2.18 0.00 0.00 179.01 176.55 1r9p n LEU 97 N -3.78 2.09 -2.38 1.64 4.77 -0.68 -5.03 117.00 113.63 1r9p n LEU 97 Ca -0.01 0.14 -0.06 0.00 -0.03 0.00 0.00 56.01 56.05 1r9p n LEU 97 Cb 0.55 -0.64 0.03 0.00 -2.33 0.00 0.00 43.42 41.03 1r9p n LEU 97 CO 0.40 0.75 0.06 1.21 -1.33 0.00 0.00 177.39 178.47 1r9p n GLU 98 N -3.26 -1.04 -4.45 3.23 2.13 0.15 -5.05 120.64 112.34 1r9p n GLU 98 Ca -0.32 0.58 -0.29 0.00 0.66 0.00 0.00 57.16 57.79 1r9p n GLU 98 Cb 1.05 -3.72 -0.13 0.00 0.27 0.00 0.00 31.44 28.90 1r9p n GLU 98 CO 0.00 0.00 0.00 -0.48 -0.41 0.00 0.00 177.13 176.24 1r9p s LEU 99 N -3.94 2.30 0.92 4.31 2.34 -1.26 -5.09 118.68 118.26 1r9p s LEU 99 Ca 0.18 -0.73 -0.17 0.00 0.06 0.00 0.00 54.13 53.47 1r9p s LEU 99 Cb -0.02 -1.22 -0.15 0.00 -0.56 0.00 0.00 46.19 44.23 1r9p s LEU 99 CO 0.38 0.19 -0.70 -2.65 -1.06 0.00 0.00 176.35 172.50 1r9p n PRO 100 N 1.02 0.00 -0.00 1.48 -0.02 -1.26 -4.82 135.00 131.40 1r9p n PRO 100 Ca -0.18 0.00 -0.13 0.00 -2.02 0.00 0.00 63.50 61.17 1r9p n PRO 100 Cb 0.53 -1.00 -0.10 0.00 -0.02 0.00 0.00 33.50 32.91 1r9p n PRO 100 CO 0.00 0.00 0.00 -1.00 1.98 0.00 0.00 175.50 176.48 1r9p h PRO 101 N -0.85 -0.06 0.00 0.52 0.13 -2.01 -2.99 132.00 126.75 1r9p h PRO 101 Ca -0.43 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.70 1r9p h PRO 101 Cb 1.32 0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.46 1r9p h PRO 101 CO 0.26 0.50 0.01 0.28 -0.23 0.00 0.00 178.00 178.82 1r9p n VAL 102 N -4.84 0.52 -0.29 1.56 0.31 -1.26 0.47 118.33 114.80 1r9p n VAL 102 Ca -0.09 0.14 0.04 0.00 -0.01 0.00 0.00 64.34 64.43 1r9p n VAL 102 Cb 0.29 -1.14 0.10 0.00 -0.91 0.00 0.00 33.84 32.18 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 -1.09 2.75 0.00 5.55 5.02 -1.13 -4.53 118.16 124.73 1r9p n LYS 103 Ca 0.00 -1.97 0.16 0.00 -2.02 0.00 0.00 58.31 54.48 1r9p n LYS 103 Cb 0.01 -1.25 0.89 0.00 -0.02 0.00 0.00 35.03 34.66 1r9p n LYS 103 CO 0.00 0.00 0.00 1.55 -0.52 0.00 0.00 177.40 178.43 1r9p n VAL 104 N -0.23 0.00 -0.31 -0.18 3.14 0.18 -3.67 118.33 117.25 1r9p n VAL 104 Ca 0.08 -0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.46 1r9p n VAL 104 Cb 0.43 -0.48 0.13 0.00 -1.06 0.00 0.00 33.84 32.86 1r9p n VAL 104 CO 0.00 0.00 0.00 1.12 -6.46 0.00 0.00 176.83 171.49 1r9p h HIS 105 N 0.05 1.01 -0.24 1.45 2.07 -1.80 -0.92 115.15 116.77 1r9p h HIS 105 Ca 0.00 0.03 -0.02 0.00 -2.85 0.00 0.00 60.37 57.53 1r9p h HIS 105 Cb 0.09 -0.33 -0.01 0.00 2.57 0.00 0.00 27.41 29.73 1r9p h HIS 105 CO 0.00 0.53 0.08 0.00 -3.07 0.00 0.00 177.93 175.47 1r9p h SER 107 N 0.23 0.25 -0.66 0.00 0.02 -1.60 -1.44 113.55 110.35 1r9p h SER 107 Ca 0.08 0.04 0.11 0.00 -0.84 0.00 0.00 61.79 61.18 1r9p h SER 107 Cb 0.22 0.00 -0.08 0.00 0.14 0.00 0.00 62.40 62.68 1r9p h SER 107 CO -0.00 0.18 0.24 0.40 -1.14 0.00 0.00 176.83 176.51 1r9p h ILE 108 N 0.40 0.72 -0.39 3.27 2.04 -0.97 -0.77 117.51 121.81 1r9p h ILE 108 Ca 0.22 -0.14 0.02 0.00 1.00 0.00 0.00 64.86 65.96 1r9p h ILE 108 Cb 0.18 0.27 -0.03 0.00 -0.74 0.00 0.00 36.82 36.50 1r9p h ILE 108 CO -0.19 0.08 0.21 -0.07 0.00 0.00 0.00 178.15 178.18 1r9p h LEU 109 N 0.41 0.33 -0.15 1.44 4.07 -0.92 0.13 115.31 120.63 1r9p h LEU 109 Ca 0.34 0.01 0.05 0.00 0.08 0.00 0.00 57.88 58.36 1r9p h LEU 109 Cb 0.46 -0.05 -0.06 0.00 1.08 0.00 0.00 40.66 42.09 1r9p h LEU 109 CO -0.35 0.24 -0.24 0.00 -1.08 0.00 0.00 178.44 177.01 1r9p h ALA 110 N 1.19 -0.20 0.59 1.53 0.00 -0.50 0.10 119.26 121.97 1r9p h ALA 110 Ca 0.16 0.04 -0.03 0.00 0.00 0.00 0.00 54.91 55.09 1r9p h ALA 110 Cb 0.04 0.47 0.01 0.00 0.00 0.00 0.00 17.79 18.31 1r9p h ALA 110 CO -0.10 -0.69 -0.28 1.49 0.00 0.00 0.00 179.25 179.67 1r9p h GLU 111 N -0.29 -0.76 0.00 0.00 4.22 -1.01 -1.46 114.58 115.28 1r9p h GLU 111 Ca 0.11 0.05 0.00 0.00 0.08 0.00 0.00 59.36 59.60 1r9p h GLU 111 Cb 0.45 0.17 0.00 0.00 0.50 0.00 0.00 28.75 29.88 1r9p h GLU 111 CO -0.32 -0.47 0.38 -0.44 -2.18 0.00 0.00 179.01 175.98 1r9p h ASP 112 N -0.89 0.00 0.00 1.04 5.19 -0.44 -0.76 116.42 120.57 1r9p h ASP 112 Ca -0.08 0.00 -0.00 0.00 -0.62 0.00 0.00 57.03 56.33 1r9p h ASP 112 Cb 0.64 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.15 1r9p h ASP 112 CO 0.13 0.00 -0.00 0.00 -3.12 0.00 0.00 179.24 176.25 1r9p h ALA 113 N 1.16 -0.01 -0.28 3.45 0.00 0.28 -2.29 119.26 121.57 1r9p h ALA 113 Ca 0.00 -0.33 0.08 0.00 0.00 0.00 0.00 54.91 54.66 1r9p h ALA 113 Cb 0.75 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.53 1r9p h ALA 113 CO 0.00 -0.01 0.20 0.97 0.00 0.00 0.00 179.25 180.41 1r9p h ILE 114 N -0.99 0.87 0.02 0.00 6.09 -0.78 -0.29 117.51 122.43 1r9p h ILE 114 Ca -0.00 -0.00 -0.18 0.00 -1.37 0.00 0.00 64.86 63.31 1r9p h ILE 114 Cb 0.65 0.85 0.02 0.00 0.47 0.00 0.00 36.82 38.81 1r9p h ILE 114 CO 0.00 0.00 -0.70 0.50 -3.07 0.00 0.00 178.15 174.88 1r9p h LYS 115 N 0.01 0.43 -0.65 2.19 1.63 -1.49 -2.67 116.57 116.03 1r9p h LYS 115 Ca 0.13 -0.50 -0.06 0.00 -0.85 0.00 0.00 60.65 59.38 1r9p h LYS 115 Cb 0.52 0.15 -0.03 0.00 -0.60 0.00 0.00 32.23 32.27 1r9p h LYS 115 CO -0.00 1.16 0.16 0.00 -3.45 0.00 0.00 179.45 177.31 1r9p h ALA 116 N 0.29 1.06 -0.11 5.00 0.00 -0.71 0.18 119.26 124.98 1r9p h ALA 116 Ca -0.09 -0.23 -0.01 0.00 0.00 0.00 0.00 54.91 54.57 1r9p h ALA 116 Cb 1.42 -0.25 -0.00 0.00 0.00 0.00 0.00 17.79 18.95 1r9p h ALA 116 CO 0.14 0.62 0.02 0.00 0.00 0.00 0.00 179.25 180.03 1r9p h ALA 117 N 1.20 0.14 -0.40 0.00 0.00 -1.14 -0.12 119.26 118.95 1r9p h ALA 117 Ca 0.21 -0.15 -0.03 0.00 0.00 0.00 0.00 54.91 54.94 1r9p h ALA 117 Cb 0.34 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.07 1r9p h ALA 117 CO -0.00 -0.20 0.14 0.82 0.00 0.00 0.00 179.25 180.00 1r9p h ILE 118 N -0.05 1.21 -0.97 0.00 2.04 -1.30 0.46 117.51 118.89 1r9p h ILE 118 Ca 0.03 -0.66 0.01 0.00 1.00 0.00 0.00 64.86 65.24 1r9p h ILE 118 Cb 0.29 0.90 -0.05 0.00 -0.74 0.00 0.00 36.82 37.22 1r9p h ILE 118 CO 0.00 0.24 0.63 0.00 0.00 0.00 0.00 178.15 179.02 1r9p h ALA 119 N 0.98 1.28 -0.06 1.87 0.00 -0.87 -0.07 119.26 122.40 1r9p h ALA 119 Ca 0.13 -0.08 -0.13 0.00 0.00 0.00 0.00 54.91 54.83 1r9p h ALA 119 Cb 0.23 -0.39 -0.01 0.00 0.00 0.00 0.00 17.79 17.61 1r9p h ALA 119 CO -0.01 0.66 -0.55 0.22 0.00 0.00 0.00 179.25 179.57 1r9p h ASP 120 N 1.33 0.19 -0.28 0.00 3.58 -0.63 -1.43 116.42 119.17 1r9p h ASP 120 Ca 0.36 -0.10 -0.17 0.00 0.42 0.00 0.00 57.03 57.54 1r9p h ASP 120 Cb -0.13 -0.05 -0.00 0.00 1.72 0.00 0.00 39.33 40.86 1r9p h ASP 120 CO -0.07 0.70 -0.46 0.22 -2.88 0.00 0.00 179.24 176.75 1r9p h TYR 121 N 0.13 1.04 0.00 0.28 3.20 0.14 -2.87 116.97 118.90 1r9p h TYR 121 Ca -0.00 -0.34 0.00 0.00 3.14 0.00 0.00 58.73 61.53 1r9p h TYR 121 Cb 1.01 -0.21 0.00 0.00 1.54 0.00 0.00 36.73 39.08 1r9p h TYR 121 CO 0.01 1.15 0.00 0.87 -1.64 0.00 0.00 178.16 178.55 1r9p h LYS 122 N 0.68 0.00 -0.04 1.82 1.57 -0.93 -3.14 116.57 116.53 1r9p h LYS 122 Ca 0.04 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.81 1r9p h LYS 122 Cb 1.05 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 33.35 1r9p h LYS 122 CO 0.10 0.00 -0.01 0.00 -0.57 0.00 0.00 179.45 178.97 1r9p h ALA 123 N 2.13 1.91 -0.55 3.86 0.00 -1.02 -0.54 119.26 125.06 1r9p h ALA 123 Ca 0.00 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.87 1r9p h ALA 123 Cb 0.81 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.58 1r9p h ALA 123 CO 0.00 0.08 0.00 1.17 0.00 0.00 0.00 179.25 180.50 1r9p n LYS 124 N -4.49 4.62 0.08 0.00 3.00 -1.19 -4.37 118.16 115.81 1r9p n LYS 124 Ca -0.02 -3.12 -0.23 0.00 -0.00 0.00 0.00 58.31 54.94 1r9p n LYS 124 Cb 0.12 -2.20 -0.15 0.00 0.00 0.00 0.00 35.03 32.80 1r9p n LYS 124 CO 0.00 0.00 0.00 0.37 0.00 0.00 0.00 177.40 177.77 1r9p h GLN 125 N 3.76 0.40 0.00 1.64 4.15 -1.20 -3.43 115.11 120.44 1r9p h GLN 125 Ca 0.00 -0.69 0.00 0.00 0.77 0.00 0.00 58.65 58.73 1r9p h GLN 125 Cb 1.89 0.26 0.00 0.00 0.21 0.00 0.00 27.48 29.84 1r9p h GLN 125 CO 0.45 1.33 0.00 0.41 -1.93 0.00 0.00 178.83 179.09 1r9p n GLY 126 N 1.83 1.89 1.45 2.39 0.00 -1.26 -5.00 105.19 106.49 1r9p n GLY 126 Ca -0.24 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 45.76 1r9p n GLY 126 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1r9p n LEU 127 N 0.00 4.24 -4.84 0.99 4.77 -1.26 -4.90 117.00 116.00 1r9p n LEU 127 Ca 0.00 -2.19 -0.36 0.00 -0.03 0.00 0.00 56.01 53.43 1r9p n LEU 127 Cb 0.00 -0.64 -0.06 0.00 -2.33 0.00 0.00 43.42 40.39 1r9p n LEU 127 CO 0.00 0.60 0.25 -1.61 -1.33 0.00 0.00 177.39 175.30 1r9p s GLU 128 N -1.94 4.02 -0.16 3.23 8.01 -1.26 -5.07 118.70 125.53 1r9p s GLU 128 Ca 0.31 0.55 -0.05 0.00 0.01 0.00 0.00 54.97 55.79 1r9p s GLU 128 Cb 0.25 -2.97 0.08 0.00 -4.31 0.00 0.00 34.13 27.18 1r9p s GLU 128 CO 0.08 0.50 0.31 -1.01 0.01 0.00 0.00 175.26 175.14 1r9p s HIS 129 N -1.42 -0.55 -0.03 1.61 3.76 -1.26 -5.02 115.29 112.39 1r9p s HIS 129 Ca 0.37 1.05 -0.01 0.00 -0.15 0.00 0.00 55.06 56.31 1r9p s HIS 129 Cb -0.16 0.03 0.00 0.00 1.11 0.00 0.00 32.58 33.57 1r9p s HIS 129 CO 0.19 -0.44 0.02 0.72 -0.85 0.00 0.00 174.74 174.38 1r9p n HIS 130 N 5.36 -0.58 -1.62 1.40 8.25 -1.26 -4.63 115.22 122.14 1r9p n HIS 130 Ca -0.06 0.31 -0.50 0.00 -0.26 0.00 0.00 57.72 57.21 1r9p n HIS 130 Cb 0.50 -1.40 -0.05 0.00 1.12 0.00 0.00 29.99 30.16 1r9p n HIS 130 CO 0.00 0.00 0.00 1.58 0.64 0.00 0.00 176.34 178.56 1r9p n HIS 131 N 1.99 1.79 -0.64 4.41 -0.00 -1.26 -4.89 115.22 116.61 1r9p n HIS 131 Ca -0.04 0.51 -0.27 0.00 0.46 0.00 0.00 57.72 58.37 1r9p n HIS 131 Cb 0.22 -2.41 0.15 0.00 -0.12 0.00 0.00 29.99 27.83 1r9p n HIS 131 CO 0.00 0.00 0.00 0.72 0.46 0.00 0.00 176.34 177.52 1r9p n HIS 132 N 2.90 -1.78 -3.58 1.57 8.25 -1.26 -5.03 115.22 116.28 1r9p n HIS 132 Ca 0.18 0.13 -0.08 0.00 -0.26 0.00 0.00 57.72 57.68 1r9p n HIS 132 Cb 0.22 -1.47 -0.02 0.00 1.12 0.00 0.00 29.99 29.85 1r9p n HIS 132 CO 0.00 0.00 0.00 -3.38 0.64 0.00 0.00 176.34 173.60 1r9p s HIS 133 N -2.14 -0.34 0.00 4.41 -3.43 -1.26 -5.24 115.29 107.29 1r9p s HIS 133 Ca 0.46 0.10 0.00 0.00 -0.80 0.00 0.00 55.06 54.82 1r9p s HIS 133 Cb -0.07 0.59 0.00 0.00 -1.43 0.00 0.00 32.58 31.67 1r9p s HIS 133 CO 0.53 -0.79 0.00 0.72 -2.00 0.00 0.00 174.74 173.20