#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1nf9 h SER 2 N 0.00 0.00 0.00 3.17 4.64 -1.90 -2.15 113.55 117.31 1nf9 h SER 2 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1nf9 h SER 2 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 1nf9 h SER 2 CO 0.00 0.62 0.00 0.61 -0.87 0.00 0.00 176.83 177.19 1nf9 n GLY 3 N 1.13 1.21 3.44 -0.77 0.00 -1.24 -4.43 105.19 104.52 1nf9 n GLY 3 Ca 0.01 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.68 1nf9 n GLY 3 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1nf9 s ILE 4 N -2.97 3.95 0.86 -0.61 1.01 -1.26 -4.98 121.20 117.21 1nf9 s ILE 4 Ca 0.00 -0.31 -0.13 0.00 0.00 0.00 0.00 60.65 60.21 1nf9 s ILE 4 Cb 0.00 -2.79 0.13 0.00 0.01 0.00 0.00 42.46 39.81 1nf9 s ILE 4 CO 0.00 0.42 1.22 -2.16 0.00 0.00 0.00 174.94 174.42 1nf9 s PRO 5 N 1.09 1.40 0.07 2.79 0.04 -1.26 -4.96 135.00 134.17 1nf9 s PRO 5 Ca 0.02 -0.19 -0.31 0.00 0.04 0.00 0.00 61.00 60.57 1nf9 s PRO 5 Cb -0.14 -1.94 -0.08 0.00 0.04 0.00 0.00 34.50 32.38 1nf9 s PRO 5 CO 0.02 -1.91 1.59 -1.21 0.04 0.00 0.00 177.00 175.52 1nf9 s GLU 6 N -5.67 4.22 -0.27 4.56 0.41 -1.26 -4.99 118.70 115.70 1nf9 s GLU 6 Ca 0.67 2.26 -0.09 0.00 -0.41 0.00 0.00 54.97 57.40 1nf9 s GLU 6 Cb -0.08 -3.55 -0.03 0.00 -1.78 0.00 0.00 34.13 28.70 1nf9 s GLU 6 CO 0.50 -0.69 0.12 0.42 -0.49 0.00 0.00 175.26 175.13 1nf9 s ILE 7 N 2.42 4.65 0.06 -1.63 1.01 -1.26 -5.01 121.20 121.44 1nf9 s ILE 7 Ca 0.71 -0.15 -0.25 0.00 0.00 0.00 0.00 60.65 60.97 1nf9 s ILE 7 Cb -0.38 -3.24 -0.06 0.00 0.01 0.00 0.00 42.46 38.78 1nf9 s ILE 7 CO 0.31 0.24 0.75 -0.89 0.00 0.00 0.00 174.94 175.35 1nf9 s THR 8 N 1.65 4.68 0.36 2.92 2.01 -1.26 -4.38 115.64 121.63 1nf9 s THR 8 Ca 0.06 1.61 -0.28 0.00 0.31 0.00 0.00 61.69 63.39 1nf9 s THR 8 Cb -0.16 -4.10 -0.12 0.00 0.01 0.00 0.00 72.50 68.13 1nf9 s THR 8 CO 0.06 0.40 1.32 0.00 -0.69 0.00 0.00 174.62 175.72 1nf9 n ALA 9 N 2.58 1.50 -2.93 7.40 0.00 -1.26 -4.82 120.51 122.98 1nf9 n ALA 9 Ca -0.03 0.34 -0.11 0.00 0.00 0.00 0.00 53.44 53.64 1nf9 n ALA 9 Cb 0.50 -2.29 -0.08 0.00 0.00 0.00 0.00 19.45 17.58 1nf9 n ALA 9 CO 0.00 0.00 0.00 1.52 0.00 0.00 0.00 177.50 179.02 1nf9 s TYR 10 N -1.12 0.00 0.22 0.00 -0.85 -1.26 -5.00 117.35 109.35 1nf9 s TYR 10 Ca 0.56 -0.18 -0.30 0.00 -0.52 0.00 0.00 57.07 56.64 1nf9 s TYR 10 Cb -0.54 0.01 -0.08 0.00 0.38 0.00 0.00 41.96 41.72 1nf9 s TYR 10 CO 0.62 -0.44 1.05 -2.14 -1.52 0.00 0.00 175.55 173.13 1nf9 s PRO 11 N -2.42 4.68 0.51 -3.49 0.02 -1.26 -4.84 135.00 128.20 1nf9 s PRO 11 Ca -0.06 1.68 -0.23 0.00 0.02 0.00 0.00 61.00 62.41 1nf9 s PRO 11 Cb -0.02 -3.25 -0.06 0.00 0.02 0.00 0.00 34.50 31.19 1nf9 s PRO 11 CO -0.03 0.23 1.36 -0.51 -0.33 0.00 0.00 177.00 177.73 1nf9 s LEU 12 N -0.90 3.94 0.51 -5.54 1.43 -1.26 -4.96 118.68 111.90 1nf9 s LEU 12 Ca 0.46 2.78 -0.21 0.00 -1.03 0.00 0.00 54.13 56.12 1nf9 s LEU 12 Cb -0.29 -4.17 -0.07 0.00 0.03 0.00 0.00 46.19 41.69 1nf9 s LEU 12 CO 0.36 -1.41 1.14 -2.16 0.23 0.00 0.00 176.35 174.51 1nf9 s PRO 13 N -2.76 3.52 0.37 1.29 0.04 -1.26 -5.03 135.00 131.18 1nf9 s PRO 13 Ca 0.68 1.66 0.05 0.00 0.04 0.00 0.00 61.00 63.43 1nf9 s PRO 13 Cb -0.40 -2.16 -0.01 0.00 0.04 0.00 0.00 34.50 31.97 1nf9 s PRO 13 CO 0.49 -0.72 0.54 0.95 0.04 0.00 0.00 177.00 178.30 1nf9 s THR 14 N -1.69 3.98 0.34 1.26 -4.23 -1.26 -4.55 115.64 109.49 1nf9 s THR 14 Ca 0.69 -0.85 0.12 0.00 -1.18 0.00 0.00 61.69 60.47 1nf9 s THR 14 Cb -0.25 -3.40 0.34 0.00 1.34 0.00 0.00 72.50 70.52 1nf9 s THR 14 CO 0.29 -0.19 1.74 0.00 -0.54 0.00 0.00 174.62 175.92 1nf9 h ALA 15 N 0.73 1.93 0.00 3.99 0.00 -1.99 0.78 119.26 124.71 1nf9 h ALA 15 Ca -0.46 0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.56 1nf9 h ALA 15 Cb 1.26 0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.06 1nf9 h ALA 15 CO 0.54 -0.38 0.00 1.96 0.00 0.00 0.00 179.25 181.37 1nf9 h GLN 16 N 0.53 0.00 -0.01 0.00 7.50 -2.02 -2.98 115.11 118.13 1nf9 h GLN 16 Ca 0.63 0.00 0.00 0.00 0.50 0.00 0.00 58.65 59.78 1nf9 h GLN 16 Cb 1.31 0.00 0.00 0.00 0.05 0.00 0.00 27.48 28.84 1nf9 h GLN 16 CO -0.41 0.00 -0.37 1.04 -1.50 0.00 0.00 178.83 177.58 1nf9 n GLN 17 N -3.02 0.69 -2.52 1.46 6.02 0.26 -4.94 117.38 115.34 1nf9 n GLN 17 Ca 0.02 -0.45 -0.36 0.00 -0.01 0.00 0.00 57.00 56.20 1nf9 n GLN 17 Cb 0.38 -1.49 -0.04 0.00 1.02 0.00 0.00 30.24 30.12 1nf9 n GLN 17 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 1nf9 s LEU 18 N -2.62 4.04 0.63 1.08 1.43 -1.13 -4.95 118.68 117.16 1nf9 s LEU 18 Ca 0.20 2.03 -0.16 0.00 -1.03 0.00 0.00 54.13 55.17 1nf9 s LEU 18 Cb 0.19 -4.31 -0.02 0.00 0.03 0.00 0.00 46.19 42.08 1nf9 s LEU 18 CO 0.58 -0.62 1.10 -2.16 0.23 0.00 0.00 176.35 175.48 1nf9 s PRO 19 N -2.74 3.01 0.28 1.29 0.04 -1.26 -4.96 135.00 130.65 1nf9 s PRO 19 Ca 0.61 1.36 -0.29 0.00 0.04 0.00 0.00 61.00 62.72 1nf9 s PRO 19 Cb -0.21 -1.98 -0.10 0.00 0.04 0.00 0.00 34.50 32.25 1nf9 s PRO 19 CO 0.26 -1.08 1.31 0.00 0.04 0.00 0.00 177.00 177.53 1nf9 s ALA 20 N -2.31 3.52 0.23 8.56 0.00 -1.26 -4.94 121.76 125.56 1nf9 s ALA 20 Ca 0.67 1.20 -0.30 0.00 0.00 0.00 0.00 51.96 53.53 1nf9 s ALA 20 Cb -0.20 -3.48 -0.09 0.00 0.00 0.00 0.00 23.12 19.36 1nf9 s ALA 20 CO 0.39 -0.58 1.07 -0.80 0.00 0.00 0.00 175.76 175.83 1nf9 s ASN 21 N -0.19 7.33 -0.06 0.00 0.01 -1.26 -4.72 114.94 116.05 1nf9 s ASN 21 Ca 0.52 2.15 0.20 0.00 -0.71 0.00 0.00 52.86 55.02 1nf9 s ASN 21 Cb -0.38 -2.61 -0.27 0.00 0.41 0.00 0.00 41.25 38.39 1nf9 s ASN 21 CO 0.47 -0.13 0.42 0.18 -1.51 0.00 0.00 177.10 176.53 1nf9 n LEU 22 N 1.71 0.15 -4.91 0.60 4.77 -1.07 -4.93 117.00 113.32 1nf9 n LEU 22 Ca 0.00 0.06 -0.30 0.00 -0.03 0.00 0.00 56.01 55.75 1nf9 n LEU 22 Cb 0.46 0.17 0.17 0.00 -2.33 0.00 0.00 43.42 41.88 1nf9 n LEU 22 CO 0.53 0.17 0.85 0.00 -1.33 0.00 0.00 177.39 177.61 1nf9 s ALA 23 N -3.11 2.22 -0.08 -1.18 0.00 -1.26 -5.03 121.76 113.32 1nf9 s ALA 23 Ca -0.08 -1.08 0.24 0.00 0.00 0.00 0.00 51.96 51.04 1nf9 s ALA 23 Cb 0.11 -2.82 0.45 0.00 0.00 0.00 0.00 23.12 20.86 1nf9 s ALA 23 CO 0.87 -2.36 1.16 0.54 0.00 0.00 0.00 175.76 175.96 1nf9 n ARG 24 N -3.74 0.61 -2.17 0.00 5.12 -1.26 -5.03 116.66 110.20 1nf9 n ARG 24 Ca 0.14 -2.51 -0.33 0.00 -1.93 0.00 0.00 57.85 53.21 1nf9 n ARG 24 Cb 0.60 -0.55 0.00 0.00 -1.16 0.00 0.00 32.46 31.34 1nf9 n ARG 24 CO 0.00 0.00 0.00 -1.58 -1.93 0.00 0.00 177.63 174.12 1nf9 s TRP 25 N -1.24 2.89 -0.10 -1.55 0.51 -1.26 -5.06 118.94 113.13 1nf9 s TRP 25 Ca 0.33 1.54 -0.00 0.00 -2.12 0.00 0.00 56.10 55.85 1nf9 s TRP 25 Cb 0.37 -3.09 0.02 0.00 -0.81 0.00 0.00 33.47 29.96 1nf9 s TRP 25 CO -0.13 -1.19 -0.08 0.45 -0.51 0.00 0.00 176.95 175.49 1nf9 s SER 26 N -2.38 2.04 0.05 2.95 0.15 -1.26 -5.01 113.70 110.23 1nf9 s SER 26 Ca 0.66 -0.28 -0.31 0.00 0.70 0.00 0.00 55.95 56.73 1nf9 s SER 26 Cb -0.18 -0.80 -0.07 0.00 -1.71 0.00 0.00 66.02 63.26 1nf9 s SER 26 CO 0.31 -0.10 1.53 -0.22 1.20 0.00 0.00 173.24 175.96 1nf9 s LEU 27 N 1.56 4.35 -0.20 3.45 2.96 -1.26 -5.01 118.68 124.52 1nf9 s LEU 27 Ca 0.02 2.33 -0.00 0.00 -0.22 0.00 0.00 54.13 56.25 1nf9 s LEU 27 Cb -0.13 -3.56 0.02 0.00 0.50 0.00 0.00 46.19 43.01 1nf9 s LEU 27 CO -0.06 -0.80 -0.14 -1.61 -1.32 0.00 0.00 176.35 172.41 1nf9 s GLU 28 N 2.40 3.03 0.28 1.98 2.02 -1.26 -5.04 118.70 122.10 1nf9 s GLU 28 Ca 0.69 -0.83 0.01 0.00 0.02 0.00 0.00 54.97 54.87 1nf9 s GLU 28 Cb -0.36 -2.74 0.63 0.00 0.10 0.00 0.00 34.13 31.76 1nf9 s GLU 28 CO 0.30 -0.25 1.72 -1.35 0.02 0.00 0.00 175.26 175.70 1nf9 h PRO 29 N 7.98 0.46 -0.04 0.39 0.11 -1.95 0.53 132.00 139.48 1nf9 h PRO 29 Ca -0.42 -0.03 0.01 0.00 0.11 0.00 0.00 66.00 65.68 1nf9 h PRO 29 Cb 1.14 -0.10 -0.00 0.00 0.11 0.00 0.00 31.00 32.14 1nf9 h PRO 29 CO 0.61 0.31 0.06 0.07 -0.21 0.00 0.00 178.00 178.84 1nf9 h ARG 30 N 0.48 0.00 -0.00 1.05 0.11 -1.84 -2.02 114.38 112.16 1nf9 h ARG 30 Ca 0.51 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.59 1nf9 h ARG 30 Cb 0.87 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.95 1nf9 h ARG 30 CO -0.46 0.00 -0.66 0.54 0.10 0.00 0.00 179.97 179.49 1nf9 n ARG 31 N -3.76 0.22 -4.18 0.08 1.74 0.17 -4.83 116.66 106.09 1nf9 n ARG 31 Ca -0.02 -0.16 -0.30 0.00 -0.77 0.00 0.00 57.85 56.61 1nf9 n ARG 31 Cb 0.14 -1.50 -0.09 0.00 -1.02 0.00 0.00 32.46 30.00 1nf9 n ARG 31 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1nf9 s ALA 32 N -2.89 3.10 -0.04 7.54 0.00 -0.76 -0.83 121.76 127.87 1nf9 s ALA 32 Ca 0.12 -1.20 0.06 0.00 0.00 0.00 0.00 51.96 50.94 1nf9 s ALA 32 Cb 0.17 -1.02 -0.02 0.00 0.00 0.00 0.00 23.12 22.26 1nf9 s ALA 32 CO 0.73 0.67 -0.22 0.08 0.00 0.00 0.00 175.76 177.02 1nf9 s VAL 33 N -1.26 2.39 -0.27 0.00 1.01 -0.53 -2.59 120.40 119.14 1nf9 s VAL 33 Ca 0.23 -0.97 -0.14 0.00 0.00 0.00 0.00 61.98 61.10 1nf9 s VAL 33 Cb -0.11 -1.88 -0.04 0.00 0.00 0.00 0.00 36.38 34.35 1nf9 s VAL 33 CO 0.16 0.58 0.34 -0.22 0.00 0.00 0.00 175.10 175.96 1nf9 s LEU 34 N -0.48 4.03 -0.36 3.92 2.96 0.75 -0.41 118.68 129.10 1nf9 s LEU 34 Ca 0.06 0.24 -0.17 0.00 -0.22 0.00 0.00 54.13 54.04 1nf9 s LEU 34 Cb -0.11 -2.38 -0.00 0.00 0.50 0.00 0.00 46.19 44.20 1nf9 s LEU 34 CO 0.01 -0.16 0.48 -0.22 -1.32 0.00 0.00 176.35 175.14 1nf9 s LEU 35 N 2.02 4.42 -0.70 -0.68 2.96 0.64 -0.30 118.68 127.05 1nf9 s LEU 35 Ca 0.14 -0.15 -0.19 0.00 -0.22 0.00 0.00 54.13 53.71 1nf9 s LEU 35 Cb -0.16 -2.52 0.12 0.00 0.50 0.00 0.00 46.19 44.13 1nf9 s LEU 35 CO 0.10 -0.47 0.84 -0.69 -1.32 0.00 0.00 176.35 174.81 1nf9 s VAL 36 N 2.30 4.80 -0.48 1.68 1.01 0.10 -1.88 120.40 127.93 1nf9 s VAL 36 Ca 0.17 -1.16 -0.21 0.00 0.00 0.00 0.00 61.98 60.78 1nf9 s VAL 36 Cb -0.16 -4.58 0.04 0.00 0.00 0.00 0.00 36.38 31.68 1nf9 s VAL 36 CO 0.13 -1.25 0.70 -2.28 0.00 0.00 0.00 175.10 172.39 1nf9 s HIS 37 N 2.66 3.01 -1.34 5.22 2.46 -0.15 -2.02 115.29 125.14 1nf9 s HIS 37 Ca 0.18 -0.20 -0.07 0.00 0.47 0.00 0.00 55.06 55.44 1nf9 s HIS 37 Cb -0.18 -3.55 0.01 0.00 -0.13 0.00 0.00 32.58 28.73 1nf9 s HIS 37 CO 0.02 -1.01 0.98 -0.25 -2.47 0.00 0.00 174.74 172.01 1nf9 n ASP 38 N 6.46 -6.10 -2.86 9.88 9.92 -1.11 -1.67 116.55 131.07 1nf9 n ASP 38 Ca -0.02 -0.45 -0.30 0.00 -0.53 0.00 0.00 54.79 53.49 1nf9 n ASP 38 Cb 0.47 -4.78 -0.07 0.00 -0.64 0.00 0.00 41.12 36.11 1nf9 n ASP 38 CO 0.00 0.00 0.00 0.23 0.13 0.00 0.00 177.20 177.56 1nf9 n MET 39 N -4.54 3.23 -3.69 -1.24 2.81 -1.26 -4.62 117.12 107.81 1nf9 n MET 39 Ca -0.02 -2.15 -0.28 0.00 -1.81 0.00 0.00 57.70 53.43 1nf9 n MET 39 Cb 0.57 -2.45 -0.03 0.00 -0.71 0.00 0.00 33.22 30.60 1nf9 n MET 39 CO 0.00 0.00 0.00 -0.65 1.51 0.00 0.00 175.97 176.83 1nf9 s GLN 40 N 0.57 3.54 0.25 0.03 -0.21 -1.26 -1.51 119.66 121.07 1nf9 s GLN 40 Ca 0.64 -0.29 -0.03 0.00 0.02 0.00 0.00 55.36 55.70 1nf9 s GLN 40 Cb 0.25 -2.84 0.47 0.00 1.00 0.00 0.00 33.01 31.89 1nf9 s GLN 40 CO -0.08 0.41 1.75 0.00 -2.12 0.00 0.00 175.29 175.26 1nf9 h ARG 41 N 2.17 0.52 -0.93 2.91 3.08 -0.96 -1.63 114.38 119.55 1nf9 h ARG 41 Ca -0.47 -0.03 -0.01 0.00 0.07 0.00 0.00 59.98 59.54 1nf9 h ARG 41 Cb 1.18 -0.12 -0.04 0.00 0.08 0.00 0.00 29.97 31.07 1nf9 h ARG 41 CO 0.69 0.34 0.56 -0.92 -1.07 0.00 0.00 179.97 179.57 1nf9 h TYR 42 N 0.53 1.24 0.00 3.04 5.03 -1.34 -1.53 116.97 123.94 1nf9 h TYR 42 Ca 0.43 -0.01 0.00 0.00 2.58 0.00 0.00 58.73 61.73 1nf9 h TYR 42 Cb 0.60 -0.40 0.00 0.00 1.55 0.00 0.00 36.73 38.48 1nf9 h TYR 42 CO -0.13 0.82 0.00 0.74 -1.32 0.00 0.00 178.16 178.28 1nf9 h PHE 43 N 1.29 0.00 0.00 -3.82 0.04 -1.59 -3.30 116.94 109.56 1nf9 h PHE 43 Ca 0.33 0.00 -0.09 0.00 2.80 0.00 0.00 57.97 61.01 1nf9 h PHE 43 Cb -0.04 0.00 -0.02 0.00 2.20 0.00 0.00 35.95 38.09 1nf9 h PHE 43 CO 0.01 0.00 -1.53 1.28 -0.60 0.00 0.00 178.31 177.46 1nf9 n LEU 44 N -2.82 0.55 -0.37 1.54 4.77 -0.94 -4.32 117.00 115.41 1nf9 n LEU 44 Ca 0.04 0.23 0.05 0.00 -0.03 0.00 0.00 56.01 56.30 1nf9 n LEU 44 Cb 0.49 0.05 0.21 0.00 -2.33 0.00 0.00 43.42 41.85 1nf9 n LEU 44 CO 0.32 0.04 1.25 0.03 -1.33 0.00 0.00 177.39 177.70 1nf9 h ARG 45 N 0.00 1.05 0.00 3.23 3.08 -1.37 -1.37 114.38 118.99 1nf9 h ARG 45 Ca -0.11 -0.06 0.00 0.00 0.07 0.00 0.00 59.98 59.88 1nf9 h ARG 45 Cb 1.31 -0.24 0.00 0.00 0.08 0.00 0.00 29.97 31.13 1nf9 h ARG 45 CO 0.02 0.69 0.00 -2.30 -1.07 0.00 0.00 179.97 177.31 1nf9 n PRO 46 N -4.56 0.17 -2.58 0.04 -0.02 -1.26 -4.73 135.00 122.05 1nf9 n PRO 46 Ca 0.17 0.52 -0.41 0.00 -2.02 0.00 0.00 63.50 61.77 1nf9 n PRO 46 Cb 0.28 -1.91 -0.04 0.00 -0.02 0.00 0.00 33.50 31.81 1nf9 n PRO 46 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 1nf9 s LEU 47 N -4.48 4.53 0.67 2.45 1.43 -0.52 -4.41 118.68 118.36 1nf9 s LEU 47 Ca 0.01 2.06 -0.17 0.00 -1.03 0.00 0.00 54.13 55.00 1nf9 s LEU 47 Cb 0.08 -3.61 0.00 0.00 0.03 0.00 0.00 46.19 42.69 1nf9 s LEU 47 CO 0.30 -0.11 1.26 -2.65 0.23 0.00 0.00 176.35 175.38 1nf9 n PRO 48 N 2.00 0.96 -0.19 1.29 -0.01 -1.26 -4.69 135.00 133.10 1nf9 n PRO 48 Ca 0.01 0.39 -0.01 0.00 -0.01 0.00 0.00 63.50 63.88 1nf9 n PRO 48 Cb 0.46 -2.50 0.22 0.00 -0.01 0.00 0.00 33.50 31.68 1nf9 n PRO 48 CO 0.00 0.00 0.00 1.49 -0.01 0.00 0.00 175.50 176.98 1nf9 h GLU 49 N 0.30 0.94 -0.76 -0.52 4.57 -1.95 -0.49 114.58 116.68 1nf9 h GLU 49 Ca -0.50 -0.11 0.03 0.00 -1.18 0.00 0.00 59.36 57.60 1nf9 h GLU 49 Cb 1.34 -0.18 -0.04 0.00 -0.16 0.00 0.00 28.75 29.70 1nf9 h GLU 49 CO 0.52 0.70 0.50 0.66 -1.18 0.00 0.00 179.01 180.21 1nf9 h SER 50 N 0.94 0.81 0.13 1.04 4.64 -2.00 -0.03 113.55 119.08 1nf9 h SER 50 Ca 0.24 -0.01 -0.23 0.00 -0.47 0.00 0.00 61.79 61.32 1nf9 h SER 50 Cb 0.05 -0.19 0.02 0.00 -0.31 0.00 0.00 62.40 61.98 1nf9 h SER 50 CO -0.04 0.56 -0.98 0.25 -0.87 0.00 0.00 176.83 175.76 1nf9 h LEU 51 N 0.94 0.64 -0.54 5.97 5.85 -1.59 -2.77 115.31 123.82 1nf9 h LEU 51 Ca 0.30 -0.88 0.07 0.00 0.84 0.00 0.00 57.88 58.21 1nf9 h LEU 51 Cb 0.03 -0.20 -0.06 0.00 0.37 0.00 0.00 40.66 40.80 1nf9 h LEU 51 CO -0.08 1.46 0.21 -0.09 -0.34 0.00 0.00 178.44 179.59 1nf9 h ARG 52 N -0.09 0.39 -0.13 1.25 2.43 -0.90 -1.65 114.38 115.68 1nf9 h ARG 52 Ca -0.16 -0.02 -0.00 0.00 -0.81 0.00 0.00 59.98 58.98 1nf9 h ARG 52 Cb 1.72 -0.09 -0.01 0.00 -0.42 0.00 0.00 29.97 31.18 1nf9 h ARG 52 CO 0.19 0.26 0.06 0.00 -1.51 0.00 0.00 179.97 178.96 1nf9 h ALA 53 N 1.35 0.17 -0.77 2.80 0.00 -1.01 -0.73 119.26 121.07 1nf9 h ALA 53 Ca 0.26 -0.07 -0.01 0.00 0.00 0.00 0.00 54.91 55.08 1nf9 h ALA 53 Cb 0.27 -0.05 -0.04 0.00 0.00 0.00 0.00 17.79 17.97 1nf9 h ALA 53 CO -0.25 -0.28 0.44 0.78 0.00 0.00 0.00 179.25 179.95 1nf9 h GLY 54 N 0.08 1.13 0.96 0.00 0.00 -1.33 -0.79 103.07 103.13 1nf9 h GLY 54 Ca 0.04 -0.49 -0.02 0.00 0.00 0.00 0.00 47.33 46.86 1nf9 h GLY 54 CO -0.01 0.48 -0.24 -2.00 0.00 0.00 0.00 176.54 174.77 1nf9 h LEU 55 N 1.06 -0.59 -0.70 3.11 5.85 -1.09 -2.12 115.31 120.82 1nf9 h LEU 55 Ca 0.27 0.03 -0.11 0.00 0.84 0.00 0.00 57.88 58.90 1nf9 h LEU 55 Cb 0.00 0.16 -0.01 0.00 0.37 0.00 0.00 40.66 41.18 1nf9 h LEU 55 CO -0.05 -0.40 -0.23 0.58 -0.34 0.00 0.00 178.44 178.00 1nf9 h VAL 56 N -0.65 1.27 -0.53 1.05 2.07 -1.05 -0.11 116.25 118.31 1nf9 h VAL 56 Ca -0.06 -1.34 -0.05 0.00 0.82 0.00 0.00 66.70 66.07 1nf9 h VAL 56 Cb 0.51 1.24 -0.02 0.00 -1.52 0.00 0.00 31.29 31.49 1nf9 h VAL 56 CO 0.08 0.45 0.13 0.00 0.02 0.00 0.00 177.57 178.25 1nf9 h ALA 57 N 1.09 0.70 -0.43 1.67 0.00 -1.08 0.21 119.26 121.42 1nf9 h ALA 57 Ca 0.09 -0.22 -0.08 0.00 0.00 0.00 0.00 54.91 54.70 1nf9 h ALA 57 Cb 0.74 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.31 1nf9 h ALA 57 CO 0.06 0.40 -0.06 -0.91 0.00 0.00 0.00 179.25 178.74 1nf9 h ASN 58 N 0.75 0.79 -0.66 0.00 2.35 -1.14 -1.87 115.58 115.79 1nf9 h ASN 58 Ca 0.17 -0.34 -0.03 0.00 -0.55 0.00 0.00 56.30 55.55 1nf9 h ASN 58 Cb 0.34 -0.21 -0.03 0.00 0.05 0.00 0.00 38.32 38.47 1nf9 h ASN 58 CO 0.00 0.94 0.30 0.00 -1.65 0.00 0.00 177.43 177.02 1nf9 h ALA 59 N 0.87 1.24 -0.20 -0.83 0.00 -0.78 0.84 119.26 120.41 1nf9 h ALA 59 Ca 0.11 -0.16 -0.05 0.00 0.00 0.00 0.00 54.91 54.82 1nf9 h ALA 59 Cb 0.57 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 18.08 1nf9 h ALA 59 CO 0.03 0.57 -0.07 0.00 0.00 0.00 0.00 179.25 179.78 1nf9 h ALA 60 N 1.35 0.27 -0.98 0.00 0.00 -0.85 -0.27 119.26 118.78 1nf9 h ALA 60 Ca 0.23 -0.27 0.05 0.00 0.00 0.00 0.00 54.91 54.93 1nf9 h ALA 60 Cb 0.15 -0.07 -0.06 0.00 0.00 0.00 0.00 17.79 17.81 1nf9 h ALA 60 CO -0.03 0.07 0.64 0.00 0.00 0.00 0.00 179.25 179.93 1nf9 h ARG 61 N 0.10 1.17 -0.03 0.00 3.08 -0.97 -0.64 114.38 117.09 1nf9 h ARG 61 Ca 0.05 -0.07 -0.00 0.00 0.07 0.00 0.00 59.98 60.03 1nf9 h ARG 61 Cb 0.53 -0.26 -0.00 0.00 0.08 0.00 0.00 29.97 30.31 1nf9 h ARG 61 CO 0.02 0.77 0.02 1.25 -1.07 0.00 0.00 179.97 180.96 1nf9 h LEU 62 N 1.20 0.05 -0.86 3.04 5.85 -0.64 -2.28 115.31 121.66 1nf9 h LEU 62 Ca 0.41 -0.13 -0.01 0.00 0.84 0.00 0.00 57.88 58.99 1nf9 h LEU 62 Cb 0.08 -0.01 -0.04 0.00 0.37 0.00 0.00 40.66 41.05 1nf9 h LEU 62 CO -0.15 0.16 0.50 -0.09 -0.34 0.00 0.00 178.44 178.53 1nf9 h ARG 63 N -0.08 1.18 -0.72 1.25 2.43 -0.63 -1.04 114.38 116.78 1nf9 h ARG 63 Ca 0.01 -0.12 -0.05 0.00 -0.81 0.00 0.00 59.98 59.01 1nf9 h ARG 63 Cb 0.13 -0.24 -0.03 0.00 -0.42 0.00 0.00 29.97 29.41 1nf9 h ARG 63 CO -0.00 0.85 0.25 -0.09 -1.51 0.00 0.00 179.97 179.46 1nf9 h ARG 64 N 1.19 1.09 -0.33 0.20 2.43 -1.02 -0.75 114.38 117.20 1nf9 h ARG 64 Ca 0.31 -0.21 -0.03 0.00 -0.81 0.00 0.00 59.98 59.24 1nf9 h ARG 64 Cb -0.02 -0.17 -0.01 0.00 -0.42 0.00 0.00 29.97 29.35 1nf9 h ARG 64 CO -0.05 0.92 0.10 2.35 -1.51 0.00 0.00 179.97 181.78 1nf9 h TRP 65 N 1.06 0.53 -0.15 2.20 7.01 -0.93 0.16 115.95 125.84 1nf9 h TRP 65 Ca 0.24 -0.05 0.04 0.00 2.11 0.00 0.00 58.89 61.22 1nf9 h TRP 65 Cb 0.26 -0.15 -0.04 0.00 -2.10 0.00 0.00 29.16 27.13 1nf9 h TRP 65 CO 0.02 0.53 -0.09 0.00 -2.79 0.00 0.00 178.44 176.11 1nf9 h VAL 67 N -0.09 1.15 0.00 0.00 2.07 -0.88 -0.72 116.25 117.78 1nf9 h VAL 67 Ca 0.09 -0.29 -0.01 0.00 0.82 0.00 0.00 66.70 67.30 1nf9 h VAL 67 Cb 0.22 0.33 -0.00 0.00 -1.52 0.00 0.00 31.29 30.32 1nf9 h VAL 67 CO -0.20 0.15 -0.06 -0.33 0.02 0.00 0.00 177.57 177.14 1nf9 h GLU 68 N 0.77 0.00 -0.01 1.57 5.08 0.05 -3.09 114.58 118.94 1nf9 h GLU 68 Ca 0.21 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.57 1nf9 h GLU 68 Cb -0.07 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.18 1nf9 h GLU 68 CO -0.04 0.06 -0.42 1.04 -1.00 0.00 0.00 179.01 178.65 1nf9 n GLN 69 N -4.41 0.95 -0.51 2.33 1.13 0.95 -4.96 117.38 112.87 1nf9 n GLN 69 Ca -0.03 -0.71 0.00 0.00 -1.94 0.00 0.00 57.00 54.33 1nf9 n GLN 69 Cb 0.14 -1.49 0.00 0.00 0.11 0.00 0.00 30.24 29.01 1nf9 n GLN 69 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1nf9 n GLY 70 N 1.39 0.70 3.73 1.08 0.00 -0.77 -4.70 105.19 106.64 1nf9 n GLY 70 Ca 0.10 -0.38 -0.40 0.00 0.00 0.00 0.00 46.02 45.34 1nf9 n GLY 70 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1nf9 s VAL 71 N -2.00 4.75 -0.02 1.61 1.01 -0.73 -4.66 120.40 120.36 1nf9 s VAL 71 Ca 0.00 1.76 -0.30 0.00 0.00 0.00 0.00 61.98 63.44 1nf9 s VAL 71 Cb 0.00 -4.18 -0.06 0.00 0.00 0.00 0.00 36.38 32.15 1nf9 s VAL 71 CO 0.00 0.31 1.50 -1.58 0.00 0.00 0.00 175.10 175.33 1nf9 s GLN 72 N 0.23 4.23 0.08 2.72 2.00 -1.07 -4.44 119.66 123.41 1nf9 s GLN 72 Ca 0.42 2.06 -0.15 0.00 -2.00 0.00 0.00 55.36 55.69 1nf9 s GLN 72 Cb -0.21 -3.71 -0.06 0.00 0.80 0.00 0.00 33.01 29.83 1nf9 s GLN 72 CO 0.24 -0.69 0.50 0.42 -0.50 0.00 0.00 175.29 175.26 1nf9 s ILE 73 N 2.99 4.89 0.00 -2.34 -1.09 -1.26 -0.18 121.20 124.21 1nf9 s ILE 73 Ca 0.67 0.91 0.00 0.00 -2.23 0.00 0.00 60.65 60.01 1nf9 s ILE 73 Cb -0.32 -3.77 -0.00 0.00 -1.58 0.00 0.00 42.46 36.78 1nf9 s ILE 73 CO 0.27 0.44 -0.01 0.00 -1.23 0.00 0.00 174.94 174.41 1nf9 s ALA 74 N -1.24 0.03 -0.10 9.38 0.00 0.59 -0.93 121.76 129.48 1nf9 s ALA 74 Ca 0.31 -0.06 0.03 0.00 0.00 0.00 0.00 51.96 52.24 1nf9 s ALA 74 Cb -0.17 0.01 -0.00 0.00 0.00 0.00 0.00 23.12 22.95 1nf9 s ALA 74 CO 0.17 -0.01 -0.22 0.71 0.00 0.00 0.00 175.76 176.42 1nf9 s TYR 75 N -0.12 2.61 -0.03 0.00 1.51 0.12 0.01 117.35 121.45 1nf9 s TYR 75 Ca -0.01 -0.94 -0.04 0.00 -1.01 0.00 0.00 57.07 55.07 1nf9 s TYR 75 Cb -0.01 -1.73 -0.04 0.00 -0.11 0.00 0.00 41.96 40.07 1nf9 s TYR 75 CO -0.00 -0.36 0.17 0.95 -1.11 0.00 0.00 175.55 175.20 1nf9 s THR 76 N 0.31 5.45 -0.25 -0.71 -4.23 -0.86 -0.62 115.64 114.74 1nf9 s THR 76 Ca -0.16 -0.08 -0.11 0.00 -1.18 0.00 0.00 61.69 60.15 1nf9 s THR 76 Cb -0.17 -3.51 0.09 0.00 1.34 0.00 0.00 72.50 70.24 1nf9 s THR 76 CO 0.08 0.39 0.57 0.00 -0.54 0.00 0.00 174.62 175.11 1nf9 s ALA 77 N -1.26 -1.60 0.40 3.99 0.00 -0.67 -2.77 121.76 119.84 1nf9 s ALA 77 Ca 0.25 2.04 -0.27 0.00 0.00 0.00 0.00 51.96 53.98 1nf9 s ALA 77 Cb -0.12 -1.38 -0.10 0.00 0.00 0.00 0.00 23.12 21.51 1nf9 s ALA 77 CO 0.16 -0.56 1.42 -0.65 0.00 0.00 0.00 175.76 176.13 1nf9 s GLN 78 N 2.07 4.00 0.35 0.00 -0.21 -1.26 -1.08 119.66 123.53 1nf9 s GLN 78 Ca -0.07 2.42 0.15 0.00 0.02 0.00 0.00 55.36 57.88 1nf9 s GLN 78 Cb -0.09 -2.87 0.61 0.00 1.00 0.00 0.00 33.01 31.66 1nf9 s GLN 78 CO -0.17 -0.56 1.72 -1.00 -2.12 0.00 0.00 175.29 173.16 1nf9 h PRO 79 N 2.82 0.00 0.00 2.91 0.13 -1.96 -3.47 132.00 132.43 1nf9 h PRO 79 Ca -0.50 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.63 1nf9 h PRO 79 Cb 1.25 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.38 1nf9 h PRO 79 CO 0.63 0.45 0.00 0.41 -0.23 0.00 0.00 178.00 179.26 1nf9 n GLY 80 N 0.11 -0.75 4.16 1.56 0.00 -1.26 -4.31 105.19 104.70 1nf9 n GLY 80 Ca -0.01 -1.55 -0.29 0.00 0.00 0.00 0.00 46.02 44.17 1nf9 n GLY 80 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1nf9 n SER 81 N -1.04 -0.04 -4.78 1.61 7.64 0.82 -4.37 113.62 113.47 1nf9 n SER 81 Ca 0.00 -1.14 -0.41 0.00 1.01 0.00 0.00 58.87 58.34 1nf9 n SER 81 Cb 0.00 -2.33 0.00 0.00 -1.01 0.00 0.00 64.21 60.88 1nf9 n SER 81 CO 0.00 0.00 0.00 -0.04 -3.01 0.00 0.00 175.04 171.99 1nf9 s MET 82 N -6.98 4.03 0.98 1.43 1.00 -1.26 -4.95 119.30 113.55 1nf9 s MET 82 Ca 0.09 2.53 -0.12 0.00 0.00 0.00 0.00 55.69 58.19 1nf9 s MET 82 Cb -0.05 -2.91 0.18 0.00 0.00 0.00 0.00 34.83 32.05 1nf9 s MET 82 CO 0.95 -0.58 1.10 0.95 0.00 0.00 0.00 175.02 177.43 1nf9 s THR 83 N -1.14 2.06 0.17 2.05 -4.23 -1.26 -4.71 115.64 108.58 1nf9 s THR 83 Ca 0.54 0.02 -0.15 0.00 -1.18 0.00 0.00 61.69 60.92 1nf9 s THR 83 Cb -0.46 -2.57 0.05 0.00 1.34 0.00 0.00 72.50 70.87 1nf9 s THR 83 CO 0.62 -0.03 1.75 -0.08 -0.54 0.00 0.00 174.62 176.34 1nf9 h GLU 84 N -1.81 0.29 -0.56 3.99 4.81 -1.99 0.15 114.58 119.45 1nf9 h GLU 84 Ca -0.54 -0.02 -0.04 0.00 -0.13 0.00 0.00 59.36 58.64 1nf9 h GLU 84 Cb 1.33 -0.07 -0.02 0.00 0.63 0.00 0.00 28.75 30.62 1nf9 h GLU 84 CO 0.58 0.19 0.21 1.49 -0.73 0.00 0.00 179.01 180.76 1nf9 h GLU 85 N 0.30 0.85 -0.69 1.92 4.81 -1.95 -1.75 114.58 118.07 1nf9 h GLU 85 Ca 0.19 -0.16 -0.01 0.00 -0.13 0.00 0.00 59.36 59.25 1nf9 h GLU 85 Cb 0.18 -0.13 -0.03 0.00 0.63 0.00 0.00 28.75 29.39 1nf9 h GLU 85 CO -0.20 0.74 0.40 1.96 -0.73 0.00 0.00 179.01 181.19 1nf9 h GLN 86 N 0.78 0.94 -0.53 1.92 4.20 -1.84 -3.09 115.11 117.48 1nf9 h GLN 86 Ca 0.19 -0.09 -0.11 0.00 0.06 0.00 0.00 58.65 58.69 1nf9 h GLN 86 Cb 0.22 -0.19 -0.02 0.00 0.30 0.00 0.00 27.48 27.79 1nf9 h GLN 86 CO -0.01 0.68 -0.09 -0.09 -0.67 0.00 0.00 178.83 178.64 1nf9 h ARG 87 N 0.94 1.01 0.00 1.46 9.65 -0.58 -3.48 114.38 123.37 1nf9 h ARG 87 Ca 0.25 -0.37 0.00 0.00 -1.10 0.00 0.00 59.98 58.76 1nf9 h ARG 87 Cb -0.01 -0.07 0.00 0.00 -1.39 0.00 0.00 29.97 28.50 1nf9 h ARG 87 CO -0.04 1.05 0.00 0.41 2.80 0.00 0.00 179.97 184.19 1nf9 n GLY 88 N -0.27 2.67 0.00 2.80 0.00 -0.67 -1.98 105.19 107.74 1nf9 n GLY 88 Ca 0.01 -0.08 0.13 0.00 0.00 0.00 0.00 46.02 46.08 1nf9 n GLY 88 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1nf9 n LEU 89 N 0.00 0.00 0.05 0.99 4.77 -1.26 -2.50 117.00 119.05 1nf9 n LEU 89 Ca 0.00 0.00 0.02 0.00 -0.03 0.00 0.00 56.01 56.00 1nf9 n LEU 89 Cb 0.00 0.00 0.39 0.00 -2.33 0.00 0.00 43.42 41.48 1nf9 n LEU 89 CO 0.00 0.00 1.00 -0.07 -1.33 0.00 0.00 177.39 176.99 1nf9 h LEU 90 N 0.00 0.37 -1.25 2.23 3.38 -1.76 -2.80 115.31 115.49 1nf9 h LEU 90 Ca 0.00 -0.05 0.17 0.00 0.09 0.00 0.00 57.88 58.09 1nf9 h LEU 90 Cb 0.00 -0.10 -0.08 0.00 0.09 0.00 0.00 40.66 40.57 1nf9 h LEU 90 CO 0.00 0.40 0.60 0.50 0.09 0.00 0.00 178.44 180.03 1nf9 h LYS 91 N 0.41 0.65 0.00 1.13 3.64 -1.58 0.30 116.57 121.12 1nf9 h LYS 91 Ca 0.10 -0.04 -0.08 0.00 -1.27 0.00 0.00 60.65 59.35 1nf9 h LYS 91 Cb 0.19 -0.15 -0.01 0.00 -0.41 0.00 0.00 32.23 31.85 1nf9 h LYS 91 CO -0.00 0.43 -0.40 -0.44 -2.27 0.00 0.00 179.45 176.77 1nf9 h ASP 92 N 0.67 0.00 0.00 4.20 3.32 -1.73 -2.07 116.42 120.81 1nf9 h ASP 92 Ca 0.49 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 57.53 1nf9 h ASP 92 Cb 0.85 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 40.40 1nf9 h ASP 92 CO -0.24 0.40 -1.53 0.49 -1.72 0.00 0.00 179.24 176.64 1nf9 n PHE 93 N -3.52 0.00 -0.47 4.55 3.01 -0.98 -4.80 117.46 115.25 1nf9 n PHE 93 Ca -0.00 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.46 1nf9 n PHE 93 Cb 0.53 -0.27 0.00 0.00 -0.01 0.00 0.00 39.48 39.73 1nf9 n PHE 93 CO 0.00 0.00 0.00 0.91 1.01 0.00 0.00 176.76 178.68 1nf9 n TRP 94 N -1.92 0.00 -4.26 1.38 7.02 0.10 -3.69 117.44 116.08 1nf9 n TRP 94 Ca -0.03 -0.19 0.00 0.00 -1.02 0.00 0.00 57.50 56.26 1nf9 n TRP 94 Cb 0.32 -0.02 0.00 0.00 -2.42 0.00 0.00 31.31 29.19 1nf9 n TRP 94 CO 0.00 0.00 0.00 0.41 -2.02 0.00 0.00 177.69 176.08 1nf9 n GLY 95 N -0.19 -1.57 0.13 6.99 0.00 -0.78 -3.74 105.19 106.03 1nf9 n GLY 95 Ca 0.00 -1.28 0.12 0.00 0.00 0.00 0.00 46.02 44.86 1nf9 n GLY 95 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1nf9 n PRO 96 N -0.38 0.23 0.00 1.61 -0.04 -1.26 -3.78 135.00 131.38 1nf9 n PRO 96 Ca 0.00 0.36 0.00 0.00 -0.04 0.00 0.00 63.50 63.82 1nf9 n PRO 96 Cb 0.00 -1.87 0.00 0.00 -0.04 0.00 0.00 33.50 31.59 1nf9 n PRO 96 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1nf9 n GLY 97 N 0.44 -2.58 3.73 0.55 0.00 -1.25 -4.49 105.19 101.59 1nf9 n GLY 97 Ca 0.03 -1.69 -0.33 0.00 0.00 0.00 0.00 46.02 44.04 1nf9 n GLY 97 CO 0.00 0.00 0.00 -3.16 0.00 0.00 0.00 173.32 170.16 1nf9 s MET 98 N -0.63 2.04 0.70 1.61 0.23 -1.26 -4.80 119.30 117.19 1nf9 s MET 98 Ca 0.00 1.53 -0.11 0.00 -1.03 0.00 0.00 55.69 56.08 1nf9 s MET 98 Cb 0.00 -1.84 0.01 0.00 -1.53 0.00 0.00 34.83 31.46 1nf9 s MET 98 CO 0.00 -1.86 1.07 1.03 -2.03 0.00 0.00 175.02 173.23 1nf9 s ARG 99 N -4.30 2.92 -0.08 3.16 1.81 -1.26 -0.13 118.95 121.08 1nf9 s ARG 99 Ca 0.69 0.68 0.03 0.00 -1.72 0.00 0.00 55.73 55.40 1nf9 s ARG 99 Cb -0.24 -2.01 0.22 0.00 -0.45 0.00 0.00 34.95 32.47 1nf9 s ARG 99 CO 0.49 -1.04 0.96 0.00 -0.68 0.00 0.00 175.30 175.03 1nf9 n ALA 100 N -3.05 3.01 -2.40 2.13 0.00 -1.26 -4.17 120.51 114.77 1nf9 n ALA 100 Ca 0.07 -0.60 -0.30 0.00 0.00 0.00 0.00 53.44 52.60 1nf9 n ALA 100 Cb 0.55 -1.06 -0.04 0.00 0.00 0.00 0.00 19.45 18.90 1nf9 n ALA 100 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 1nf9 s SER 101 N -0.06 6.54 0.40 0.00 1.04 -1.26 -4.90 113.70 115.46 1nf9 s SER 101 Ca 0.15 0.89 0.15 0.00 0.48 0.00 0.00 55.95 57.62 1nf9 s SER 101 Cb 0.12 -2.22 1.00 0.00 0.10 0.00 0.00 66.02 65.02 1nf9 s SER 101 CO 0.04 -0.19 1.86 -0.65 0.98 0.00 0.00 173.24 175.28 1nf9 h PRO 102 N 1.95 0.48 0.00 4.02 0.11 -1.96 -0.46 132.00 136.14 1nf9 h PRO 102 Ca -0.47 -0.03 -0.02 0.00 0.11 0.00 0.00 66.00 65.59 1nf9 h PRO 102 Cb 1.18 -0.11 -0.00 0.00 0.11 0.00 0.00 31.00 32.18 1nf9 h PRO 102 CO 0.67 0.32 -0.09 0.00 -0.21 0.00 0.00 178.00 178.68 1nf9 h ALA 103 N 1.61 1.19 0.00 -0.75 0.00 -1.94 -2.78 119.26 116.60 1nf9 h ALA 103 Ca 0.46 -0.08 -0.44 0.00 0.00 0.00 0.00 54.91 54.85 1nf9 h ALA 103 Cb 1.01 -0.01 -0.07 0.00 0.00 0.00 0.00 17.79 18.72 1nf9 h ALA 103 CO -0.19 0.12 -2.42 -0.25 0.00 0.00 0.00 179.25 176.50 1nf9 n ASP 104 N -3.47 1.95 0.05 0.00 9.92 -0.65 -4.35 116.55 120.00 1nf9 n ASP 104 Ca -0.01 0.34 0.12 0.00 -0.53 0.00 0.00 54.79 54.71 1nf9 n ASP 104 Cb 0.24 -0.82 0.15 0.00 -0.64 0.00 0.00 41.12 40.04 1nf9 n ASP 104 CO 0.00 0.00 0.00 -2.11 0.13 0.00 0.00 177.20 175.22 1nf9 n ARG 105 N -4.27 0.26 -1.85 -1.24 1.85 -0.28 -1.17 116.66 109.97 1nf9 n ARG 105 Ca -0.52 0.06 -0.41 0.00 -1.00 0.00 0.00 57.85 55.98 1nf9 n ARG 105 Cb 0.86 -1.65 -0.01 0.00 -1.05 0.00 0.00 32.46 30.61 1nf9 n ARG 105 CO 0.00 0.00 0.00 -1.21 -0.01 0.00 0.00 177.63 176.41 1nf9 s GLU 106 N -3.16 4.16 0.27 2.89 2.02 -1.05 -4.70 118.70 119.13 1nf9 s GLU 106 Ca 0.06 2.51 -0.30 0.00 0.02 0.00 0.00 54.97 57.26 1nf9 s GLU 106 Cb 0.14 -3.02 -0.11 0.00 0.10 0.00 0.00 34.13 31.25 1nf9 s GLU 106 CO 0.74 -0.52 1.50 0.08 0.02 0.00 0.00 175.26 177.08 1nf9 s VAL 107 N -0.58 2.41 0.40 2.63 1.01 -1.26 -1.04 120.40 123.97 1nf9 s VAL 107 Ca 0.57 0.34 -0.27 0.00 0.00 0.00 0.00 61.98 62.62 1nf9 s VAL 107 Cb -0.46 -3.22 -0.10 0.00 0.00 0.00 0.00 36.38 32.60 1nf9 s VAL 107 CO 0.54 0.06 1.48 1.33 0.00 0.00 0.00 175.10 178.50 1nf9 n VAL 108 N 2.24 2.23 -0.31 2.92 0.24 -0.57 -4.78 118.33 120.29 1nf9 n VAL 108 Ca 0.07 -0.50 0.14 0.00 -2.04 0.00 0.00 64.34 62.02 1nf9 n VAL 108 Cb 0.39 -1.95 0.39 0.00 -1.47 0.00 0.00 33.84 31.20 1nf9 n VAL 108 CO 0.00 0.00 0.00 1.05 -2.14 0.00 0.00 176.83 175.74 1nf9 h GLU 109 N 2.77 0.64 0.00 7.34 4.11 -1.92 0.18 114.58 127.69 1nf9 h GLU 109 Ca -0.51 -0.04 0.00 0.00 0.07 0.00 0.00 59.36 58.88 1nf9 h GLU 109 Cb 1.25 -0.14 0.00 0.00 0.50 0.00 0.00 28.75 30.36 1nf9 h GLU 109 CO 0.63 0.42 0.00 0.39 0.07 0.00 0.00 179.01 180.52 1nf9 n GLU 110 N -4.63 0.16 -0.35 1.06 4.71 -1.26 -1.65 120.64 118.68 1nf9 n GLU 110 Ca 0.21 0.47 0.07 0.00 -0.01 0.00 0.00 57.16 57.90 1nf9 n GLU 110 Cb 0.58 -1.86 0.19 0.00 -1.01 0.00 0.00 31.44 29.35 1nf9 n GLU 110 CO 0.00 0.00 0.00 1.28 0.09 0.00 0.00 177.13 178.50 1nf9 n LEU 111 N -2.17 3.09 -4.69 -4.62 4.32 0.62 -4.82 117.00 108.73 1nf9 n LEU 111 Ca 0.01 -3.27 -0.58 0.00 -0.02 0.00 0.00 56.01 52.16 1nf9 n LEU 111 Cb 0.16 -0.50 -0.07 0.00 -1.62 0.00 0.00 43.42 41.39 1nf9 n LEU 111 CO 0.16 0.86 1.21 0.00 -1.22 0.00 0.00 177.39 178.40 1nf9 n ALA 112 N -1.08 -0.60 -1.75 -1.18 0.00 -0.66 -4.87 120.51 110.36 1nf9 n ALA 112 Ca 0.20 0.43 -0.38 0.00 0.00 0.00 0.00 53.44 53.69 1nf9 n ALA 112 Cb 0.77 -2.15 0.03 0.00 0.00 0.00 0.00 19.45 18.11 1nf9 n ALA 112 CO 0.00 0.00 0.00 -2.14 0.00 0.00 0.00 177.50 175.36 1nf9 s PRO 113 N 2.84 3.26 0.40 0.00 0.02 -1.26 -5.05 135.00 135.21 1nf9 s PRO 113 Ca 0.97 2.14 0.08 0.00 0.02 0.00 0.00 61.00 64.20 1nf9 s PRO 113 Cb -1.11 -2.28 0.01 0.00 0.02 0.00 0.00 34.50 31.13 1nf9 s PRO 113 CO 0.64 -1.06 0.55 0.20 -0.33 0.00 0.00 177.00 177.00 1nf9 s GLY 114 N -1.04 1.85 0.49 0.52 0.00 -1.26 -5.01 107.32 102.87 1nf9 s GLY 114 Ca 0.70 -1.61 0.33 0.00 0.00 0.00 0.00 44.72 44.14 1nf9 s GLY 114 CO 0.45 -1.45 2.01 -0.56 0.00 0.00 0.00 173.10 173.54 1nf9 h PRO 115 N 0.70 0.00 -0.02 2.90 0.13 -2.04 -0.64 132.00 133.04 1nf9 h PRO 115 Ca -0.42 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.71 1nf9 h PRO 115 Cb 1.27 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.40 1nf9 h PRO 115 CO 0.47 0.00 -0.03 -0.25 -0.23 0.00 0.00 178.00 177.96 1nf9 n ASP 116 N -2.73 1.88 -4.80 1.44 8.00 -1.26 -4.94 116.55 114.14 1nf9 n ASP 116 Ca -0.01 -1.59 -0.38 0.00 0.71 0.00 0.00 54.79 53.51 1nf9 n ASP 116 Cb 0.12 0.02 -0.06 0.00 -0.02 0.00 0.00 41.12 41.19 1nf9 n ASP 116 CO 0.00 0.00 0.00 -1.81 -0.39 0.00 0.00 177.20 175.00 1nf9 s ASP 117 N -2.04 7.14 0.19 -2.24 1.01 -0.25 -4.82 116.67 115.65 1nf9 s ASP 117 Ca 0.34 1.38 -0.30 0.00 0.71 0.00 0.00 52.55 54.68 1nf9 s ASP 117 Cb 0.21 -2.40 -0.08 0.00 1.01 0.00 0.00 42.92 41.65 1nf9 s ASP 117 CO 0.34 0.21 1.19 0.26 0.21 0.00 0.00 175.17 177.38 1nf9 s TRP 118 N -1.20 3.44 -0.26 4.23 0.51 -0.11 -4.93 118.94 120.61 1nf9 s TRP 118 Ca 0.33 1.45 -0.04 0.00 -2.12 0.00 0.00 56.10 55.72 1nf9 s TRP 118 Cb -0.20 -3.42 0.01 0.00 -0.81 0.00 0.00 33.47 29.06 1nf9 s TRP 118 CO 0.21 -1.14 -0.01 -0.51 -0.51 0.00 0.00 176.95 175.00 1nf9 s LEU 119 N -0.32 3.39 -0.10 2.99 1.43 -1.26 -0.70 118.68 124.11 1nf9 s LEU 119 Ca 0.52 -0.74 -0.01 0.00 -1.03 0.00 0.00 54.13 52.87 1nf9 s LEU 119 Cb -0.32 -1.76 -0.03 0.00 0.03 0.00 0.00 46.19 44.11 1nf9 s LEU 119 CO 0.37 -0.13 -0.05 -0.76 0.23 0.00 0.00 176.35 176.01 1nf9 s LEU 120 N 1.41 3.27 0.00 1.79 1.43 0.20 -4.99 118.68 121.80 1nf9 s LEU 120 Ca 0.02 -0.02 -0.25 0.00 -1.03 0.00 0.00 54.13 52.84 1nf9 s LEU 120 Cb -0.16 -1.74 -0.04 0.00 0.03 0.00 0.00 46.19 44.27 1nf9 s LEU 120 CO -0.02 0.31 0.79 -0.89 0.23 0.00 0.00 176.35 176.77 1nf9 s THR 121 N -0.48 4.86 -0.21 5.49 2.01 -1.26 -1.68 115.64 124.37 1nf9 s THR 121 Ca 0.08 1.66 -0.08 0.00 0.31 0.00 0.00 61.69 63.65 1nf9 s THR 121 Cb -0.12 -4.13 -0.04 0.00 0.01 0.00 0.00 72.50 68.21 1nf9 s THR 121 CO 0.02 0.29 0.10 -0.75 -0.69 0.00 0.00 174.62 173.59 1nf9 s LYS 122 N 0.43 3.98 -0.03 4.92 2.47 -0.25 -4.75 119.74 126.51 1nf9 s LYS 122 Ca 0.41 -0.33 0.00 0.00 -1.56 0.00 0.00 55.97 54.49 1nf9 s LYS 122 Cb -0.20 -3.34 -0.02 0.00 -1.46 0.00 0.00 37.83 32.81 1nf9 s LYS 122 CO 0.22 0.15 -0.03 0.91 0.16 0.00 0.00 175.35 176.77 1nf9 n TRP 123 N 3.94 0.00 -4.08 4.03 7.02 -1.26 -3.99 117.44 123.10 1nf9 n TRP 123 Ca -0.16 0.00 -0.04 0.00 -1.02 0.00 0.00 57.50 56.28 1nf9 n TRP 123 Cb 0.52 -0.13 -0.01 0.00 -2.42 0.00 0.00 31.31 29.26 1nf9 n TRP 123 CO 0.00 0.00 0.00 0.54 -2.02 0.00 0.00 177.69 176.21 1nf9 n ARG 124 N -2.57 0.46 -0.13 -0.99 5.12 -1.26 -5.02 116.66 112.27 1nf9 n ARG 124 Ca -0.06 -0.68 -0.05 0.00 -1.93 0.00 0.00 57.85 55.13 1nf9 n ARG 124 Cb 0.57 0.46 0.03 0.00 -1.16 0.00 0.00 32.46 32.36 1nf9 n ARG 124 CO 0.00 0.00 0.00 1.88 -1.93 0.00 0.00 177.63 177.58 1nf9 h TYR 125 N 1.18 0.34 -3.53 -1.55 0.05 -1.96 -3.41 116.97 108.09 1nf9 h TYR 125 Ca -0.05 0.02 -0.53 0.00 0.05 0.00 0.00 58.73 58.22 1nf9 h TYR 125 Cb 0.24 -0.09 -0.03 0.00 1.01 0.00 0.00 36.73 37.86 1nf9 h TYR 125 CO 0.00 0.16 0.22 0.45 -1.05 0.00 0.00 178.16 177.94 1nf9 s SER 126 N -5.42 7.38 0.49 3.88 0.15 -1.26 -4.39 113.70 114.53 1nf9 s SER 126 Ca -0.13 1.64 0.21 0.00 0.70 0.00 0.00 55.95 58.37 1nf9 s SER 126 Cb 0.13 -2.52 1.27 0.00 -1.71 0.00 0.00 66.02 63.19 1nf9 s SER 126 CO 0.72 0.10 2.05 0.00 1.20 0.00 0.00 173.24 177.31 1nf9 h ALA 127 N 4.93 1.52 0.00 5.45 0.00 -1.85 -1.09 119.26 128.21 1nf9 h ALA 127 Ca -0.45 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.33 1nf9 h ALA 127 Cb 1.21 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.97 1nf9 h ALA 127 CO 0.69 0.17 -0.32 1.19 0.00 0.00 0.00 179.25 180.98 1nf9 n PHE 128 N -4.01 0.55 -2.42 0.00 3.01 -1.26 -4.59 117.46 108.74 1nf9 n PHE 128 Ca -0.02 0.16 -0.43 0.00 1.01 0.00 0.00 57.45 58.17 1nf9 n PHE 128 Cb 0.22 -0.69 -0.02 0.00 -0.01 0.00 0.00 39.48 38.98 1nf9 n PHE 128 CO 0.00 0.00 0.00 0.12 1.01 0.00 0.00 176.76 177.89 1nf9 s PHE 129 N -3.10 2.98 -1.65 1.38 2.19 -0.41 -2.85 117.98 116.50 1nf9 s PHE 129 Ca 0.09 1.07 -0.17 0.00 0.33 0.00 0.00 56.93 58.25 1nf9 s PHE 129 Cb 0.14 -3.49 0.14 0.00 -1.31 0.00 0.00 43.02 38.50 1nf9 s PHE 129 CO 0.65 -1.63 0.85 0.72 1.83 0.00 0.00 175.22 177.65 1nf9 n HIS 130 N 5.91 -1.92 -4.40 10.12 8.25 -1.26 -4.49 115.22 127.43 1nf9 n HIS 130 Ca 0.13 0.83 -0.19 0.00 -0.26 0.00 0.00 57.72 58.22 1nf9 n HIS 130 Cb 0.45 -3.25 -0.10 0.00 1.12 0.00 0.00 29.99 28.21 1nf9 n HIS 130 CO 0.00 0.00 0.00 -1.54 0.64 0.00 0.00 176.34 175.44 1nf9 s SER 131 N -3.27 1.89 -0.23 0.41 1.04 -1.13 -4.92 113.70 107.48 1nf9 s SER 131 Ca 0.73 -1.38 0.15 0.00 0.48 0.00 0.00 55.95 55.92 1nf9 s SER 131 Cb -0.39 0.02 0.74 0.00 0.10 0.00 0.00 66.02 66.50 1nf9 s SER 131 CO 0.89 -0.66 1.67 -0.90 0.98 0.00 0.00 173.24 175.22 1nf9 n ASP 132 N -0.60 5.20 0.00 7.02 5.75 -1.26 -4.62 116.55 128.04 1nf9 n ASP 132 Ca -0.01 -2.98 -0.09 0.00 -0.01 0.00 0.00 54.79 51.69 1nf9 n ASP 132 Cb 0.66 -0.65 -0.03 0.00 -1.03 0.00 0.00 41.12 40.07 1nf9 n ASP 132 CO 0.00 0.00 0.00 0.25 -0.11 0.00 0.00 177.20 177.34 1nf9 h LEU 133 N 3.33 -0.41 -0.00 -2.12 5.85 -1.87 1.00 115.31 121.08 1nf9 h LEU 133 Ca 0.02 0.08 -0.00 0.00 0.84 0.00 0.00 57.88 58.81 1nf9 h LEU 133 Cb 1.86 0.20 -0.00 0.00 0.37 0.00 0.00 40.66 43.09 1nf9 h LEU 133 CO 0.44 -0.18 0.00 0.25 -0.34 0.00 0.00 178.44 178.61 1nf9 h LEU 134 N -0.17 0.00 -1.16 2.25 5.85 -1.89 0.29 115.31 120.48 1nf9 h LEU 134 Ca 0.09 -0.08 0.03 0.00 0.84 0.00 0.00 57.88 58.75 1nf9 h LEU 134 Cb 0.29 -0.00 -0.05 0.00 0.37 0.00 0.00 40.66 41.27 1nf9 h LEU 134 CO -0.22 0.08 0.57 -0.61 -0.34 0.00 0.00 178.44 177.92 1nf9 h GLN 135 N -0.08 1.08 -0.41 1.25 -0.00 -1.84 -0.86 115.11 114.26 1nf9 h GLN 135 Ca 0.00 -0.06 -0.07 0.00 -0.00 0.00 0.00 58.65 58.52 1nf9 h GLN 135 Cb 0.08 -0.24 -0.01 0.00 0.00 0.00 0.00 27.48 27.30 1nf9 h GLN 135 CO -0.00 0.71 -0.01 0.00 0.00 0.00 0.00 178.83 179.53 1nf9 h ARG 136 N 1.11 0.73 -0.40 1.69 3.08 -0.46 -1.12 114.38 119.02 1nf9 h ARG 136 Ca 0.34 -0.24 0.01 0.00 0.07 0.00 0.00 59.98 60.16 1nf9 h ARG 136 Cb -0.02 -0.06 -0.02 0.00 0.08 0.00 0.00 29.97 29.94 1nf9 h ARG 136 CO -0.09 0.82 0.24 0.52 -1.07 0.00 0.00 179.97 180.39 1nf9 h MET 137 N 0.56 0.48 -0.40 0.04 2.86 -0.43 -0.96 114.93 117.08 1nf9 h MET 137 Ca 0.11 -0.03 0.03 0.00 -2.06 0.00 0.00 59.70 57.76 1nf9 h MET 137 Cb 0.50 -0.11 -0.03 0.00 0.06 0.00 0.00 31.60 32.02 1nf9 h MET 137 CO 0.02 0.32 0.20 0.00 1.06 0.00 0.00 176.91 178.50 1nf9 h ARG 138 N 0.49 0.39 0.00 1.72 2.47 -1.08 -1.14 114.38 117.23 1nf9 h ARG 138 Ca 0.15 -0.02 -0.01 0.00 -1.26 0.00 0.00 59.98 58.84 1nf9 h ARG 138 Cb -0.01 -0.09 -0.00 0.00 -1.65 0.00 0.00 29.97 28.22 1nf9 h ARG 138 CO -0.06 0.26 -0.06 0.00 0.56 0.00 0.00 179.97 180.67 1nf9 h ALA 139 N 1.21 1.04 -0.02 0.04 0.00 -0.86 -0.90 119.26 119.77 1nf9 h ALA 139 Ca 0.17 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.03 1nf9 h ALA 139 Cb 0.08 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.86 1nf9 h ALA 139 CO -0.12 0.07 -0.00 0.00 0.00 0.00 0.00 179.25 179.20 1nf9 n ALA 140 N -2.14 2.53 -2.20 0.00 0.00 -0.39 -4.95 120.51 113.36 1nf9 n ALA 140 Ca -0.00 -0.56 -0.14 0.00 0.00 0.00 0.00 53.44 52.74 1nf9 n ALA 140 Cb 0.29 -1.00 -0.01 0.00 0.00 0.00 0.00 19.45 18.73 1nf9 n ALA 140 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1nf9 n GLY 141 N 1.26 -0.08 3.41 0.00 0.00 -0.34 -4.99 105.19 104.44 1nf9 n GLY 141 Ca 0.17 -0.30 -0.34 0.00 0.00 0.00 0.00 46.02 45.56 1nf9 n GLY 141 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1nf9 s ARG 142 N -4.59 3.49 -0.09 1.61 0.52 -0.53 -4.80 118.95 114.57 1nf9 s ARG 142 Ca 0.00 -0.61 0.13 0.00 -0.52 0.00 0.00 55.73 54.73 1nf9 s ARG 142 Cb 0.00 -2.81 0.27 0.00 0.52 0.00 0.00 34.95 32.93 1nf9 s ARG 142 CO 0.00 0.15 1.13 -0.40 0.02 0.00 0.00 175.30 176.20 1nf9 n ASP 143 N 3.77 1.29 -4.04 0.23 5.75 -0.01 -4.37 116.55 119.16 1nf9 n ASP 143 Ca -0.18 -2.75 -0.18 0.00 -0.01 0.00 0.00 54.79 51.67 1nf9 n ASP 143 Cb 0.52 -0.36 -0.14 0.00 -1.03 0.00 0.00 41.12 40.11 1nf9 n ASP 143 CO 0.00 0.00 0.00 -1.10 -0.11 0.00 0.00 177.20 175.99 1nf9 s GLN 144 N -1.58 0.71 -0.11 0.11 -0.21 -0.83 -1.63 119.66 116.11 1nf9 s GLN 144 Ca 0.25 -0.43 0.01 0.00 0.02 0.00 0.00 55.36 55.21 1nf9 s GLN 144 Cb 0.25 -0.67 0.02 0.00 1.00 0.00 0.00 33.01 33.61 1nf9 s GLN 144 CO -0.04 0.17 -0.14 -1.17 -2.12 0.00 0.00 175.29 171.99 1nf9 s LEU 145 N -0.52 1.66 -0.22 2.90 2.96 -0.46 -1.46 118.68 123.53 1nf9 s LEU 145 Ca 0.01 -0.41 -0.09 0.00 -0.22 0.00 0.00 54.13 53.42 1nf9 s LEU 145 Cb -0.05 -1.05 -0.04 0.00 0.50 0.00 0.00 46.19 45.55 1nf9 s LEU 145 CO 0.00 -0.00 0.12 -0.69 -1.32 0.00 0.00 176.35 174.46 1nf9 s VAL 146 N 1.07 5.04 -0.06 1.68 1.01 0.45 -0.31 120.40 129.28 1nf9 s VAL 146 Ca -0.05 0.07 0.05 0.00 0.00 0.00 0.00 61.98 62.04 1nf9 s VAL 146 Cb -0.15 -3.33 -0.02 0.00 0.00 0.00 0.00 36.38 32.89 1nf9 s VAL 146 CO -0.02 0.38 -0.20 -0.76 0.00 0.00 0.00 175.10 174.50 1nf9 s LEU 147 N 0.91 2.41 0.08 3.92 1.02 0.46 -0.26 118.68 127.22 1nf9 s LEU 147 Ca 0.06 -0.36 -0.04 0.00 0.02 0.00 0.00 54.13 53.81 1nf9 s LEU 147 Cb -0.13 -1.47 -0.03 0.00 0.02 0.00 0.00 46.19 44.58 1nf9 s LEU 147 CO 0.03 0.29 0.07 0.00 0.02 0.00 0.00 176.35 176.75 1nf9 n GLY 149 N 0.02 0.21 3.08 0.00 0.00 -0.44 -0.98 105.19 107.08 1nf9 n GLY 149 Ca -0.13 -2.18 -0.12 0.00 0.00 0.00 0.00 46.02 43.59 1nf9 n GLY 149 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1nf9 s VAL 150 N 0.00 0.55 -0.07 1.61 -7.23 -0.67 -2.76 120.40 111.83 1nf9 s VAL 150 Ca 0.00 -1.29 -0.13 0.00 -1.81 0.00 0.00 61.98 58.75 1nf9 s VAL 150 Cb 0.00 -0.86 -0.05 0.00 0.56 0.00 0.00 36.38 36.03 1nf9 s VAL 150 CO 0.00 -0.51 0.33 -0.31 -0.31 0.00 0.00 175.10 174.30 1nf9 s TYR 151 N -1.95 3.63 0.21 2.82 2.02 -1.26 -4.52 117.35 118.30 1nf9 s TYR 151 Ca -0.05 0.80 -0.11 0.00 -0.37 0.00 0.00 57.07 57.35 1nf9 s TYR 151 Cb -0.06 -2.24 0.29 0.00 -0.40 0.00 0.00 41.96 39.54 1nf9 s TYR 151 CO -0.01 0.54 1.69 0.00 -1.57 0.00 0.00 175.55 176.20 1nf9 h ALA 152 N 5.34 0.65 0.00 3.71 0.00 -1.26 -2.24 119.26 125.45 1nf9 h ALA 152 Ca -0.49 0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.57 1nf9 h ALA 152 Cb 1.21 0.24 0.00 0.00 0.00 0.00 0.00 17.79 19.24 1nf9 h ALA 152 CO 0.65 -0.35 -0.28 -2.39 0.00 0.00 0.00 179.25 176.88 1nf9 n HIS 153 N -5.20 0.08 0.00 0.00 1.44 -1.26 -1.28 115.22 109.00 1nf9 n HIS 153 Ca 0.09 0.02 0.00 0.00 -2.01 0.00 0.00 57.72 55.82 1nf9 n HIS 153 Cb 0.33 -0.42 0.00 0.00 0.12 0.00 0.00 29.99 30.03 1nf9 n HIS 153 CO 0.00 0.00 0.00 0.28 -2.81 0.00 0.00 176.34 173.81 1nf9 n VAL 154 N -1.58 0.00 0.05 0.61 0.31 -0.87 -4.61 118.33 112.25 1nf9 n VAL 154 Ca 0.06 0.00 0.01 0.00 -0.01 0.00 0.00 64.34 64.40 1nf9 n VAL 154 Cb 0.35 0.00 0.35 0.00 -0.91 0.00 0.00 33.84 33.63 1nf9 n VAL 154 CO 0.00 0.00 0.00 1.23 -1.32 0.00 0.00 176.83 176.74 1nf9 h GLY 155 N 0.00 0.44 0.75 2.92 0.00 -1.75 -1.21 103.07 104.23 1nf9 h GLY 155 Ca 0.00 -0.25 -0.00 0.00 0.00 0.00 0.00 47.33 47.08 1nf9 h GLY 155 CO 0.00 0.24 0.00 -2.08 0.00 0.00 0.00 176.54 174.70 1nf9 h VAL 156 N 0.40 1.20 -0.60 4.60 2.07 -1.64 0.21 116.25 122.49 1nf9 h VAL 156 Ca 0.09 -0.60 -0.09 0.00 0.82 0.00 0.00 66.70 66.91 1nf9 h VAL 156 Cb 0.30 1.59 -0.02 0.00 -1.52 0.00 0.00 31.29 31.64 1nf9 h VAL 156 CO 0.01 0.16 0.01 0.25 0.02 0.00 0.00 177.57 178.01 1nf9 h LEU 157 N -0.23 1.01 -0.54 2.57 5.85 -0.81 -0.76 115.31 122.40 1nf9 h LEU 157 Ca 0.00 -0.28 -0.14 0.00 0.84 0.00 0.00 57.88 58.31 1nf9 h LEU 157 Cb 0.26 -0.27 -0.01 0.00 0.37 0.00 0.00 40.66 41.00 1nf9 h LEU 157 CO 0.00 1.06 -0.29 0.40 -0.34 0.00 0.00 178.44 179.27 1nf9 h ILE 158 N 0.95 1.27 -0.85 4.05 1.08 -1.17 -0.79 117.51 122.07 1nf9 h ILE 158 Ca 0.17 -1.45 0.02 0.00 -0.39 0.00 0.00 64.86 63.22 1nf9 h ILE 158 Cb 0.54 1.27 -0.05 0.00 -3.07 0.00 0.00 36.82 35.52 1nf9 h ILE 158 CO 0.03 0.49 0.55 0.28 -0.69 0.00 0.00 178.15 178.81 1nf9 h SER 159 N 0.74 0.94 -0.25 1.72 0.02 -0.34 -1.13 113.55 115.25 1nf9 h SER 159 Ca 0.08 -0.02 0.04 0.00 -0.84 0.00 0.00 61.79 61.05 1nf9 h SER 159 Cb 0.85 -0.22 -0.03 0.00 0.14 0.00 0.00 62.40 63.13 1nf9 h SER 159 CO 0.07 0.66 0.03 0.74 -1.14 0.00 0.00 176.83 177.20 1nf9 h THR 160 N 1.10 0.87 -0.66 -2.27 2.02 -0.72 -1.25 112.91 112.00 1nf9 h THR 160 Ca 0.33 -0.04 0.01 0.00 0.77 0.00 0.00 66.41 67.48 1nf9 h THR 160 Cb -0.06 0.73 -0.04 0.00 -1.74 0.00 0.00 68.15 67.05 1nf9 h THR 160 CO -0.09 0.02 0.43 0.58 0.37 0.00 0.00 175.52 176.83 1nf9 h VAL 161 N 0.12 1.15 -0.52 3.16 2.07 -0.83 -1.12 116.25 120.29 1nf9 h VAL 161 Ca 0.11 -0.30 -0.03 0.00 0.82 0.00 0.00 66.70 67.30 1nf9 h VAL 161 Cb 0.12 0.19 -0.02 0.00 -1.52 0.00 0.00 31.29 30.07 1nf9 h VAL 161 CO -0.16 0.16 0.20 -0.78 0.02 0.00 0.00 177.57 177.01 1nf9 h ASP 162 N 0.88 0.72 0.10 0.57 1.82 -0.99 0.33 116.42 119.85 1nf9 h ASP 162 Ca 0.25 -0.18 -0.00 0.00 -0.39 0.00 0.00 57.03 56.71 1nf9 h ASP 162 Cb -0.07 -0.19 -0.00 0.00 0.68 0.00 0.00 39.33 39.75 1nf9 h ASP 162 CO -0.07 0.70 -0.06 0.00 -1.61 0.00 0.00 179.24 178.20 1nf9 h ALA 163 N 1.05 -0.15 -0.62 -0.78 0.00 -0.97 -2.20 119.26 115.59 1nf9 h ALA 163 Ca 0.17 -0.03 0.11 0.00 0.00 0.00 0.00 54.91 55.16 1nf9 h ALA 163 Cb 0.21 0.08 -0.08 0.00 0.00 0.00 0.00 17.79 18.00 1nf9 h ALA 163 CO -0.01 -0.59 0.16 -0.92 0.00 0.00 0.00 179.25 177.89 1nf9 h TYR 164 N -0.16 0.27 -0.58 0.00 3.20 -1.07 -1.11 116.97 117.51 1nf9 h TYR 164 Ca -0.01 0.03 0.03 0.00 3.14 0.00 0.00 58.73 61.93 1nf9 h TYR 164 Cb 0.14 -0.02 -0.03 0.00 1.54 0.00 0.00 36.73 38.35 1nf9 h TYR 164 CO -0.09 0.00 0.39 0.77 -1.64 0.00 0.00 178.16 177.59 1nf9 h SER 165 N 0.30 0.59 -0.15 -2.11 0.02 -0.66 0.57 113.55 112.12 1nf9 h SER 165 Ca 0.32 -0.01 0.00 0.00 -0.84 0.00 0.00 61.79 61.26 1nf9 h SER 165 Cb 0.47 -0.14 0.00 0.00 0.14 0.00 0.00 62.40 62.87 1nf9 h SER 165 CO -0.38 0.41 0.00 0.59 -1.14 0.00 0.00 176.83 176.31 1nf9 n ASN 166 N -4.46 1.27 -2.73 3.07 3.02 -0.53 -4.88 115.26 110.01 1nf9 n ASN 166 Ca 0.07 -2.07 -0.22 0.00 -0.03 0.00 0.00 54.58 52.33 1nf9 n ASN 166 Cb 0.13 -0.26 0.02 0.00 -0.61 0.00 0.00 39.78 39.06 1nf9 n ASN 166 CO 0.00 0.00 0.00 0.47 -2.62 0.00 0.00 177.26 175.11 1nf9 n ASP 167 N 0.03 -6.04 -4.59 6.41 8.00 0.19 -4.98 116.55 115.57 1nf9 n ASP 167 Ca 0.06 -0.17 -0.37 0.00 0.71 0.00 0.00 54.79 55.01 1nf9 n ASP 167 Cb 0.25 -4.93 -0.11 0.00 -0.02 0.00 0.00 41.12 36.31 1nf9 n ASP 167 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 1nf9 s ILE 168 N -3.12 5.20 -0.24 0.53 1.01 -0.56 -4.97 121.20 119.05 1nf9 s ILE 168 Ca 0.18 0.13 -0.29 0.00 0.00 0.00 0.00 60.65 60.67 1nf9 s ILE 168 Cb -0.08 -3.46 -0.02 0.00 0.01 0.00 0.00 42.46 38.92 1nf9 s ILE 168 CO 0.22 0.28 1.48 -1.10 0.00 0.00 0.00 174.94 175.82 1nf9 s GLN 169 N 1.58 3.89 0.19 2.79 -0.21 -0.65 -3.31 119.66 123.94 1nf9 s GLN 169 Ca 0.07 1.54 -0.06 0.00 0.02 0.00 0.00 55.36 56.93 1nf9 s GLN 169 Cb -0.15 -3.96 -0.06 0.00 1.00 0.00 0.00 33.01 29.84 1nf9 s GLN 169 CO 0.09 -1.16 0.46 -2.14 -2.12 0.00 0.00 175.29 170.41 1nf9 s PRO 170 N 4.37 3.68 -0.24 2.91 0.02 -1.26 -1.36 135.00 143.12 1nf9 s PRO 170 Ca 0.65 0.04 0.01 0.00 0.02 0.00 0.00 61.00 61.71 1nf9 s PRO 170 Cb -0.22 -2.75 0.06 0.00 0.02 0.00 0.00 34.50 31.61 1nf9 s PRO 170 CO 0.26 0.38 -0.04 -0.06 -0.33 0.00 0.00 177.00 177.21 1nf9 s PHE 171 N -1.78 2.48 -0.31 6.54 0.40 0.58 -0.84 117.98 125.05 1nf9 s PHE 171 Ca 0.43 -1.85 -0.13 0.00 -0.60 0.00 0.00 56.93 54.79 1nf9 s PHE 171 Cb -0.12 -1.67 -0.03 0.00 0.51 0.00 0.00 43.02 41.71 1nf9 s PHE 171 CO 0.24 -0.79 0.25 -1.17 0.70 0.00 0.00 175.22 174.45 1nf9 s LEU 172 N 1.37 4.29 -0.64 -0.37 2.96 0.13 -0.40 118.68 126.01 1nf9 s LEU 172 Ca -0.04 -0.18 -0.21 0.00 -0.22 0.00 0.00 54.13 53.48 1nf9 s LEU 172 Cb -0.19 -2.19 0.09 0.00 0.50 0.00 0.00 46.19 44.40 1nf9 s LEU 172 CO -0.07 -0.18 0.87 -0.69 -1.32 0.00 0.00 176.35 174.95 1nf9 s VAL 173 N 1.82 4.54 0.52 1.68 1.01 -0.87 -1.41 120.40 127.69 1nf9 s VAL 173 Ca 0.08 -0.67 0.17 0.00 0.00 0.00 0.00 61.98 61.57 1nf9 s VAL 173 Cb -0.17 -4.61 0.28 0.00 0.00 0.00 0.00 36.38 31.88 1nf9 s VAL 173 CO 0.11 -1.33 2.16 0.00 0.00 0.00 0.00 175.10 176.03 1nf9 h ALA 174 N 9.38 1.98 -0.45 5.51 0.00 -0.98 -1.19 119.26 133.52 1nf9 h ALA 174 Ca -0.27 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.64 1nf9 h ALA 174 Cb 1.08 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.87 1nf9 h ALA 174 CO 1.15 -0.01 0.00 -0.40 0.00 0.00 0.00 179.25 179.99 1nf9 n ASP 175 N -4.49 3.88 -0.47 0.00 5.75 -1.26 -4.19 116.55 115.77 1nf9 n ASP 175 Ca -0.03 -2.43 0.07 0.00 -0.01 0.00 0.00 54.79 52.39 1nf9 n ASP 175 Cb 0.10 -0.45 0.19 0.00 -1.03 0.00 0.00 41.12 39.92 1nf9 n ASP 175 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1nf9 n ALA 176 N 0.50 3.25 -2.45 2.12 0.00 -0.45 -4.65 120.51 118.83 1nf9 n ALA 176 Ca 0.20 -3.09 -0.16 0.00 0.00 0.00 0.00 53.44 50.39 1nf9 n ALA 176 Cb 0.72 -0.37 -0.11 0.00 0.00 0.00 0.00 19.45 19.70 1nf9 n ALA 176 CO 0.00 0.00 0.00 0.96 0.00 0.00 0.00 177.50 178.46 1nf9 s ILE 177 N -3.06 1.11 0.14 0.00 -4.36 -1.19 -1.33 121.20 112.52 1nf9 s ILE 177 Ca 0.36 -1.74 -0.01 0.00 -0.26 0.00 0.00 60.65 59.00 1nf9 s ILE 177 Cb 0.34 -1.50 -0.04 0.00 1.25 0.00 0.00 42.46 42.51 1nf9 s ILE 177 CO -0.04 -0.54 0.06 0.00 0.24 0.00 0.00 174.94 174.65 1nf9 s ALA 178 N -2.50 0.91 0.34 2.27 0.00 -1.11 -4.94 121.76 116.74 1nf9 s ALA 178 Ca 0.09 -1.49 -0.05 0.00 0.00 0.00 0.00 51.96 50.50 1nf9 s ALA 178 Cb -0.03 0.88 0.02 0.00 0.00 0.00 0.00 23.12 23.99 1nf9 s ALA 178 CO 0.01 -0.48 0.53 -3.47 0.00 0.00 0.00 175.76 172.35 1nf9 n ASP 179 N -0.11 -1.51 0.23 0.00 -0.08 -1.26 -0.92 116.55 112.90 1nf9 n ASP 179 Ca -0.05 -2.72 0.06 0.00 -1.51 0.00 0.00 54.79 50.57 1nf9 n ASP 179 Cb 0.64 2.72 0.54 0.00 2.34 0.00 0.00 41.12 47.35 1nf9 n ASP 179 CO 0.00 0.00 0.00 -0.26 0.12 0.00 0.00 177.20 177.06 1nf9 h PHE 180 N 1.95 0.00 -2.83 -0.67 -1.00 -1.98 -3.46 116.94 108.96 1nf9 h PHE 180 Ca -0.27 0.00 0.08 0.00 2.81 0.00 0.00 57.97 60.58 1nf9 h PHE 180 Cb 1.14 0.00 -0.08 0.00 3.61 0.00 0.00 35.95 40.62 1nf9 h PHE 180 CO 0.00 0.14 0.29 -1.54 -1.61 0.00 0.00 178.31 175.59 1nf9 s SER 181 N -6.98 -0.31 0.27 2.17 1.04 -1.26 -4.49 113.70 104.14 1nf9 s SER 181 Ca -0.04 -0.41 -0.04 0.00 0.48 0.00 0.00 55.95 55.94 1nf9 s SER 181 Cb 0.16 0.63 0.34 0.00 0.10 0.00 0.00 66.02 67.26 1nf9 s SER 181 CO 0.69 -1.14 1.94 -0.08 0.98 0.00 0.00 173.24 175.63 1nf9 h GLU 182 N 2.00 1.22 -0.46 4.02 4.81 -1.88 -1.91 114.58 122.38 1nf9 h GLU 182 Ca -0.23 -0.07 -0.14 0.00 -0.13 0.00 0.00 59.36 58.79 1nf9 h GLU 182 Cb 1.26 -0.28 -0.01 0.00 0.63 0.00 0.00 28.75 30.35 1nf9 h GLU 182 CO 0.27 0.81 -0.25 0.00 -0.73 0.00 0.00 179.01 179.11 1nf9 h ALA 183 N 1.42 0.68 -0.24 2.92 0.00 -1.99 0.02 119.26 122.07 1nf9 h ALA 183 Ca 0.35 -0.40 0.00 0.00 0.00 0.00 0.00 54.91 54.86 1nf9 h ALA 183 Cb -0.13 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.49 1nf9 h ALA 183 CO -0.08 0.68 0.15 0.45 0.00 0.00 0.00 179.25 180.45 1nf9 h HIS 184 N 0.84 0.28 -0.40 0.00 3.86 -1.90 -1.11 115.15 116.72 1nf9 h HIS 184 Ca 0.10 0.01 0.03 0.00 -1.16 0.00 0.00 60.37 59.35 1nf9 h HIS 184 Cb 0.83 -0.09 -0.03 0.00 1.06 0.00 0.00 27.41 29.17 1nf9 h HIS 184 CO 0.05 0.18 0.19 1.25 0.86 0.00 0.00 177.93 180.46 1nf9 h HIS 185 N 0.31 0.35 -0.55 2.45 6.17 -1.08 -1.29 115.15 121.52 1nf9 h HIS 185 Ca 0.09 0.02 -0.04 0.00 0.71 0.00 0.00 60.37 61.15 1nf9 h HIS 185 Cb -0.03 -0.10 -0.02 0.00 2.52 0.00 0.00 27.41 29.78 1nf9 h HIS 185 CO -0.07 0.18 0.20 -0.09 0.71 0.00 0.00 177.93 178.86 1nf9 h ARG 186 N 0.39 0.83 -0.54 5.26 2.43 -0.89 -1.80 114.38 120.07 1nf9 h ARG 186 Ca 0.17 -0.16 -0.06 0.00 -0.81 0.00 0.00 59.98 59.12 1nf9 h ARG 186 Cb 0.09 -0.13 -0.02 0.00 -0.42 0.00 0.00 29.97 29.49 1nf9 h ARG 186 CO -0.13 0.74 0.10 0.52 -1.51 0.00 0.00 179.97 179.69 1nf9 h MET 187 N 0.75 0.84 -0.98 0.20 2.86 -0.91 -0.84 114.93 116.85 1nf9 h MET 187 Ca 0.18 -0.19 0.01 0.00 -2.06 0.00 0.00 59.70 57.64 1nf9 h MET 187 Cb 0.23 -0.12 -0.05 0.00 0.06 0.00 0.00 31.60 31.73 1nf9 h MET 187 CO -0.01 0.78 0.64 0.00 1.06 0.00 0.00 176.91 179.38 1nf9 h ALA 188 N 1.31 1.28 -0.47 6.32 0.00 -0.88 -0.10 119.26 126.71 1nf9 h ALA 188 Ca 0.17 -0.08 -0.08 0.00 0.00 0.00 0.00 54.91 54.92 1nf9 h ALA 188 Cb 0.34 -0.40 -0.02 0.00 0.00 0.00 0.00 17.79 17.71 1nf9 h ALA 188 CO 0.00 0.66 -0.04 -0.07 0.00 0.00 0.00 179.25 179.81 1nf9 h LEU 189 N 1.34 0.85 -0.72 0.00 3.38 -0.61 0.27 115.31 119.82 1nf9 h LEU 189 Ca 0.36 -0.33 -0.03 0.00 0.09 0.00 0.00 57.88 57.97 1nf9 h LEU 189 Cb -0.14 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 40.35 1nf9 h LEU 189 CO -0.08 0.97 0.32 -0.33 0.09 0.00 0.00 178.44 179.41 1nf9 h GLU 190 N 0.71 1.06 -0.00 1.13 5.08 -0.91 -0.03 114.58 121.62 1nf9 h GLU 190 Ca 0.13 -0.18 -0.00 0.00 -1.00 0.00 0.00 59.36 58.31 1nf9 h GLU 190 Cb 0.56 -0.18 -0.00 0.00 0.50 0.00 0.00 28.75 29.63 1nf9 h GLU 190 CO 0.03 0.86 -0.00 -0.92 -1.00 0.00 0.00 179.01 177.98 1nf9 h TYR 191 N 1.03 0.00 -0.33 4.33 5.03 -0.82 -2.88 116.97 123.33 1nf9 h TYR 191 Ca 0.24 -0.00 0.04 0.00 2.58 0.00 0.00 58.73 61.59 1nf9 h TYR 191 Cb 0.17 -0.00 -0.04 0.00 1.55 0.00 0.00 36.73 38.41 1nf9 h TYR 191 CO 0.01 0.34 0.10 0.00 -1.32 0.00 0.00 178.16 177.29 1nf9 h ALA 192 N 0.67 0.37 0.00 1.82 0.00 -0.75 -0.19 119.26 121.17 1nf9 h ALA 192 Ca 0.00 0.04 -0.03 0.00 0.00 0.00 0.00 54.91 54.93 1nf9 h ALA 192 Cb 0.34 0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.16 1nf9 h ALA 192 CO 0.00 -0.30 -0.13 0.00 0.00 0.00 0.00 179.25 178.82 1nf9 h ALA 193 N 1.22 1.55 -0.01 0.00 0.00 -1.00 0.54 119.26 121.56 1nf9 h ALA 193 Ca 0.15 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.94 1nf9 h ALA 193 Cb 0.13 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.90 1nf9 h ALA 193 CO -0.17 0.16 -0.31 -1.13 0.00 0.00 0.00 179.25 177.80 1nf9 n SER 194 N -4.04 1.42 0.00 0.00 3.41 -1.07 -2.59 113.62 110.75 1nf9 n SER 194 Ca -0.02 -1.21 0.00 0.00 -0.26 0.00 0.00 58.87 57.38 1nf9 n SER 194 Cb 0.21 0.50 0.00 0.00 -0.26 0.00 0.00 64.21 64.67 1nf9 n SER 194 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 1nf9 n ARG 195 N -0.25 4.28 0.00 4.33 5.12 -0.11 -5.02 116.66 125.01 1nf9 n ARG 195 Ca 0.06 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.98 1nf9 n ARG 195 Cb 0.29 -0.64 0.00 0.00 -1.16 0.00 0.00 32.46 30.95 1nf9 n ARG 195 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1nf9 s ALA 197 N 0.00 -1.48 -0.06 0.00 0.00 0.04 -4.37 121.76 115.89 1nf9 s ALA 197 Ca 0.00 0.22 -0.23 0.00 0.00 0.00 0.00 51.96 51.95 1nf9 s ALA 197 Cb 0.00 0.84 -0.04 0.00 0.00 0.00 0.00 23.12 23.92 1nf9 s ALA 197 CO 0.00 -0.87 0.69 -1.64 0.00 0.00 0.00 175.76 173.94 1nf9 s MET 198 N -3.75 4.43 -0.19 0.00 1.00 -0.02 -4.12 119.30 116.65 1nf9 s MET 198 Ca 0.05 0.87 -0.09 0.00 0.00 0.00 0.00 55.69 56.53 1nf9 s MET 198 Cb -0.03 -3.44 -0.05 0.00 0.00 0.00 0.00 34.83 31.32 1nf9 s MET 198 CO -0.05 0.09 0.10 0.08 0.00 0.00 0.00 175.02 175.24 1nf9 s VAL 199 N 0.72 5.14 0.05 -6.03 1.01 -1.26 -0.70 120.40 119.33 1nf9 s VAL 199 Ca 0.37 0.09 -0.05 0.00 0.00 0.00 0.00 61.98 62.39 1nf9 s VAL 199 Cb -0.18 -3.33 -0.02 0.00 0.00 0.00 0.00 36.38 32.86 1nf9 s VAL 199 CO 0.18 0.46 0.08 0.68 0.00 0.00 0.00 175.10 176.50 1nf9 s VAL 200 N 0.30 0.15 0.47 2.92 -7.23 -0.50 -4.90 120.40 111.61 1nf9 s VAL 200 Ca 0.06 -1.27 0.01 0.00 -1.81 0.00 0.00 61.98 58.97 1nf9 s VAL 200 Cb -0.12 -1.11 0.00 0.00 0.56 0.00 0.00 36.38 35.72 1nf9 s VAL 200 CO -0.01 -0.70 0.69 0.42 -0.31 0.00 0.00 175.10 175.19 1nf9 s THR 201 N -3.12 3.73 0.23 5.32 -4.23 -1.26 -0.30 115.64 116.01 1nf9 s THR 201 Ca -0.01 -0.53 -0.07 0.00 -1.18 0.00 0.00 61.69 59.90 1nf9 s THR 201 Cb 0.02 -3.38 0.19 0.00 1.34 0.00 0.00 72.50 70.67 1nf9 s THR 201 CO -0.07 -0.27 1.85 0.74 -0.54 0.00 0.00 174.62 176.34 1nf9 h THR 202 N 0.34 1.07 -0.95 3.99 2.02 -1.91 -1.70 112.91 115.76 1nf9 h THR 202 Ca -0.45 -0.33 0.02 0.00 0.77 0.00 0.00 66.41 66.42 1nf9 h THR 202 Cb 1.26 0.04 -0.05 0.00 -1.74 0.00 0.00 68.15 67.66 1nf9 h THR 202 CO 0.56 0.17 0.63 0.44 0.37 0.00 0.00 175.52 177.69 1nf9 h ASP 203 N 0.95 1.08 -0.70 4.18 3.32 -1.94 -2.10 116.42 121.21 1nf9 h ASP 203 Ca 0.34 -0.02 -0.08 0.00 0.02 0.00 0.00 57.03 57.29 1nf9 h ASP 203 Cb 0.10 -0.26 -0.03 0.00 0.22 0.00 0.00 39.33 39.35 1nf9 h ASP 203 CO -0.14 0.77 0.14 -0.33 -1.72 0.00 0.00 179.24 177.96 1nf9 h GLU 204 N 1.27 1.14 -0.62 3.56 5.08 -1.67 -0.62 114.58 122.71 1nf9 h GLU 204 Ca 0.36 -0.29 -0.04 0.00 -1.00 0.00 0.00 59.36 58.38 1nf9 h GLU 204 Cb -0.11 -0.14 -0.03 0.00 0.50 0.00 0.00 28.75 28.97 1nf9 h GLU 204 CO -0.09 1.02 0.21 0.28 -1.00 0.00 0.00 179.01 179.43 1nf9 h VAL 205 N 1.07 1.23 0.00 3.13 2.07 -0.70 -2.61 116.25 120.43 1nf9 h VAL 205 Ca 0.22 -0.77 0.00 0.00 0.82 0.00 0.00 66.70 66.97 1nf9 h VAL 205 Cb 0.41 0.52 0.00 0.00 -1.52 0.00 0.00 31.29 30.70 1nf9 h VAL 205 CO 0.01 0.30 -0.19 0.18 0.02 0.00 0.00 177.57 177.89 1nf9 n LEU 206 N -4.29 0.35 0.00 2.57 4.32 -0.86 -5.12 117.00 113.97 1nf9 n LEU 206 Ca 0.05 0.37 0.00 0.00 -0.02 0.00 0.00 56.01 56.41 1nf9 n LEU 206 Cb 0.20 -0.37 0.00 0.00 -1.62 0.00 0.00 43.42 41.63 1nf9 n LEU 206 CO 0.40 -0.01 0.00 -0.62 -1.22 0.00 0.00 177.39 175.94