#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x9l h GLY 2 N 0.00 0.95 -1.40 3.03 0.00 -2.14 -3.42 103.07 100.09 1x9l h GLY 2 Ca 0.00 -0.20 -0.34 0.00 0.00 0.00 0.00 47.33 46.79 1x9l h GLY 2 CO 0.00 -0.02 -0.31 1.57 0.00 0.00 0.00 176.54 177.78 1x9l n HIS 3 N -4.53 -0.75 0.00 5.60 -0.00 -1.26 -5.19 115.22 109.10 1x9l n HIS 3 Ca 0.20 -2.11 0.00 0.00 -0.00 0.00 0.00 57.72 55.81 1x9l n HIS 3 Cb 0.72 0.27 0.00 0.00 -0.00 0.00 0.00 29.99 30.98 1x9l n HIS 3 CO 0.00 0.00 0.00 -2.37 -0.00 0.00 0.00 176.34 173.97 1x9l n THR 4 N -0.48 0.00 -3.70 3.57 5.66 -1.26 -5.20 114.28 112.87 1x9l n THR 4 Ca 0.05 0.00 -0.11 0.00 -3.05 0.00 0.00 64.05 60.94 1x9l n THR 4 Cb 0.47 0.00 -0.10 0.00 -1.55 0.00 0.00 70.33 69.14 1x9l n THR 4 CO 0.00 0.00 0.00 -0.32 -3.05 0.00 0.00 175.07 171.70 1x9l s MET 5 N -2.00 0.43 0.97 1.09 -2.45 -1.26 -5.03 119.30 111.04 1x9l s MET 5 Ca 0.00 0.75 -0.16 0.00 -1.25 0.00 0.00 55.69 55.03 1x9l s MET 5 Cb 0.00 0.04 0.21 0.00 1.25 0.00 0.00 34.83 36.33 1x9l s MET 5 CO 0.00 -0.13 1.32 -1.25 1.05 0.00 0.00 175.02 176.01 1x9l s PRO 6 N 1.12 0.59 0.21 4.11 0.04 -1.26 -5.13 135.00 134.68 1x9l s PRO 6 Ca -0.07 -0.46 -0.14 0.00 0.04 0.00 0.00 61.00 60.36 1x9l s PRO 6 Cb -0.07 -1.85 0.01 0.00 0.04 0.00 0.00 34.50 32.63 1x9l s PRO 6 CO -0.10 -2.44 0.47 0.00 0.04 0.00 0.00 177.00 174.97 1x9l s ALA 7 N -3.89 -0.55 0.25 8.56 0.00 -1.26 -5.19 121.76 119.68 1x9l s ALA 7 Ca 0.75 -0.57 -0.22 0.00 0.00 0.00 0.00 51.96 51.92 1x9l s ALA 7 Cb -0.03 0.92 0.04 0.00 0.00 0.00 0.00 23.12 24.05 1x9l s ALA 7 CO 0.53 -0.80 0.84 -1.58 0.00 0.00 0.00 175.76 174.74 1x9l s HIS 8 N -3.94 -0.11 -0.17 0.00 5.04 -1.26 -5.19 115.29 109.67 1x9l s HIS 8 Ca 0.15 -0.33 -0.17 0.00 -1.54 0.00 0.00 55.06 53.18 1x9l s HIS 8 Cb -0.00 0.70 0.05 0.00 0.04 0.00 0.00 32.58 33.37 1x9l s HIS 8 CO 0.02 -1.12 0.47 -0.08 -2.34 0.00 0.00 174.74 171.68 1x9l s THR 9 N -3.34 0.00 0.60 0.89 -1.32 -1.26 -5.17 115.64 106.04 1x9l s THR 9 Ca 0.13 -0.02 -0.15 0.00 -1.21 0.00 0.00 61.69 60.45 1x9l s THR 9 Cb -0.04 -0.66 -0.03 0.00 -1.51 0.00 0.00 72.50 70.25 1x9l s THR 9 CO 0.06 -0.01 1.04 -2.16 -2.21 0.00 0.00 174.62 171.34 1x9l s PRO 10 N 0.17 3.36 1.02 7.08 0.04 -1.26 -5.07 135.00 140.34 1x9l s PRO 10 Ca -0.01 1.09 -0.16 0.00 0.04 0.00 0.00 61.00 61.96 1x9l s PRO 10 Cb -0.03 -2.04 0.21 0.00 0.04 0.00 0.00 34.50 32.67 1x9l s PRO 10 CO 0.01 -0.77 1.21 -1.25 0.04 0.00 0.00 177.00 176.25 1x9l s PRO 11 N -4.32 0.19 0.06 0.56 0.04 -1.26 -5.12 135.00 125.16 1x9l s PRO 11 Ca 0.61 -0.14 -0.14 0.00 0.04 0.00 0.00 61.00 61.37 1x9l s PRO 11 Cb -0.14 -1.77 0.02 0.00 0.04 0.00 0.00 34.50 32.65 1x9l s PRO 11 CO 0.40 -2.76 0.32 0.00 0.04 0.00 0.00 177.00 175.01 1x9l s ALA 12 N -3.48 -0.70 0.14 8.56 0.00 -1.26 -5.18 121.76 119.84 1x9l s ALA 12 Ca 0.71 -0.05 -0.25 0.00 0.00 0.00 0.00 51.96 52.37 1x9l s ALA 12 Cb -0.08 0.41 0.06 0.00 0.00 0.00 0.00 23.12 23.51 1x9l s ALA 12 CO 0.54 -0.47 0.89 -1.14 0.00 0.00 0.00 175.76 175.58 1x9l s GLN 13 N -2.92 1.22 0.36 0.00 0.74 -1.26 -5.20 119.66 112.61 1x9l s GLN 13 Ca -0.02 -0.63 -0.04 0.00 0.05 0.00 0.00 55.36 54.71 1x9l s GLN 13 Cb 0.00 0.44 0.02 0.00 1.10 0.00 0.00 33.01 34.57 1x9l s GLN 13 CO -0.06 -0.55 0.55 -2.37 -0.55 0.00 0.00 175.29 172.31 1x9l n THR 14 N -0.42 0.00 -3.17 -0.34 5.66 -1.26 -5.17 114.28 109.58 1x9l n THR 14 Ca -0.07 -1.69 0.03 0.00 -3.05 0.00 0.00 64.05 59.27 1x9l n THR 14 Cb 0.61 1.10 -0.01 0.00 -1.55 0.00 0.00 70.33 70.48 1x9l n THR 14 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1x9l s ALA 15 N -2.69 -2.20 -0.49 1.79 0.00 -1.26 -5.12 121.76 111.78 1x9l s ALA 15 Ca 0.27 1.33 -0.28 0.00 0.00 0.00 0.00 51.96 53.28 1x9l s ALA 15 Cb -0.02 -2.31 0.01 0.00 0.00 0.00 0.00 23.12 20.80 1x9l s ALA 15 CO 0.20 -1.59 1.45 -1.25 0.00 0.00 0.00 175.76 174.57 1x9l s PRO 16 N 2.81 3.38 -0.91 0.00 0.04 -1.26 -4.91 135.00 134.15 1x9l s PRO 16 Ca 0.15 0.70 -0.23 0.00 0.04 0.00 0.00 61.00 61.66 1x9l s PRO 16 Cb -0.13 -4.10 -0.14 0.00 0.04 0.00 0.00 34.50 30.17 1x9l s PRO 16 CO -0.24 -1.83 1.92 0.00 0.04 0.00 0.00 177.00 176.89 1x9l n ALA 17 N 9.48 2.61 -1.03 8.56 0.00 -1.26 -4.85 120.51 134.01 1x9l n ALA 17 Ca 0.15 -3.17 -0.35 0.00 0.00 0.00 0.00 53.44 50.06 1x9l n ALA 17 Cb 0.49 -3.58 -0.04 0.00 0.00 0.00 0.00 19.45 16.32 1x9l n ALA 17 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1x9l n ALA 18 N 10.31 3.99 -1.17 0.00 0.00 -1.26 -4.93 120.51 127.45 1x9l n ALA 18 Ca 0.48 -2.87 -0.32 0.00 0.00 0.00 0.00 53.44 50.72 1x9l n ALA 18 Cb 0.43 -3.40 0.11 0.00 0.00 0.00 0.00 19.45 16.59 1x9l n ALA 18 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 1x9l s GLN 19 N 4.29 1.95 -0.14 0.00 -0.21 -1.26 -5.06 119.66 119.23 1x9l s GLN 19 Ca 0.50 1.51 -0.30 0.00 0.02 0.00 0.00 55.36 57.10 1x9l s GLN 19 Cb 0.13 -1.84 0.10 0.00 1.00 0.00 0.00 33.01 32.41 1x9l s GLN 19 CO 0.05 -1.92 0.88 -1.59 -2.12 0.00 0.00 175.29 170.58 1x9l s LYS 20 N -4.37 0.75 0.09 2.91 -2.85 -1.26 -5.19 119.74 109.82 1x9l s LYS 20 Ca 0.68 0.28 -0.13 0.00 -1.00 0.00 0.00 55.97 55.80 1x9l s LYS 20 Cb -0.23 0.36 0.05 0.00 -2.06 0.00 0.00 37.83 35.94 1x9l s LYS 20 CO 0.51 -0.22 0.64 0.00 0.10 0.00 0.00 175.35 176.38 1x9l n ALA 21 N 1.06 -1.69 -3.04 0.59 0.00 -1.26 -5.05 120.51 111.12 1x9l n ALA 21 Ca -0.14 -0.58 -0.13 0.00 0.00 0.00 0.00 53.44 52.60 1x9l n ALA 21 Cb 0.57 0.29 0.05 0.00 0.00 0.00 0.00 19.45 20.36 1x9l n ALA 21 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1x9l n GLY 22 N -0.45 0.06 0.14 0.00 0.00 -1.26 -4.96 105.19 98.71 1x9l n GLY 22 Ca -0.01 -0.14 -0.17 0.00 0.00 0.00 0.00 46.02 45.71 1x9l n GLY 22 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1x9l h ALA 23 N 0.57 0.09 -2.45 4.61 0.00 -2.08 -3.47 119.26 116.53 1x9l h ALA 23 Ca -0.33 -0.53 -0.48 0.00 0.00 0.00 0.00 54.91 53.57 1x9l h ALA 23 Cb 1.21 0.02 0.08 0.00 0.00 0.00 0.00 17.79 19.10 1x9l h ALA 23 CO 0.31 0.29 0.34 -0.65 0.00 0.00 0.00 179.25 179.54 1x9l s GLN 24 N -3.29 2.49 0.30 0.00 -1.52 -1.26 -5.12 119.66 111.26 1x9l s GLN 24 Ca -0.14 0.15 -0.03 0.00 -1.95 0.00 0.00 55.36 53.39 1x9l s GLN 24 Cb 0.03 -2.07 -0.01 0.00 -0.22 0.00 0.00 33.01 30.74 1x9l s GLN 24 CO 0.80 -1.18 0.39 0.00 -0.25 0.00 0.00 175.29 175.05 1x9l s ALA 25 N -3.34 0.77 -0.20 6.09 0.00 -1.26 -5.19 121.76 118.64 1x9l s ALA 25 Ca 0.59 -1.49 -0.12 0.00 0.00 0.00 0.00 51.96 50.94 1x9l s ALA 25 Cb -0.11 1.22 0.06 0.00 0.00 0.00 0.00 23.12 24.29 1x9l s ALA 25 CO 0.49 -0.75 0.49 -1.17 0.00 0.00 0.00 175.76 174.81 1x9l s LEU 26 N -3.20 -0.25 0.34 0.00 0.20 -1.26 -5.15 118.68 109.37 1x9l s LEU 26 Ca 0.32 1.05 -0.28 0.00 0.69 0.00 0.00 54.13 55.90 1x9l s LEU 26 Cb 0.01 1.64 -0.10 0.00 -0.43 0.00 0.00 46.19 47.31 1x9l s LEU 26 CO 0.17 -0.20 1.28 -2.16 -0.29 0.00 0.00 176.35 175.15 1x9l s PRO 27 N 1.25 4.30 -0.70 0.98 0.04 -1.26 -4.82 135.00 134.79 1x9l s PRO 27 Ca -0.08 2.14 -0.07 0.00 0.04 0.00 0.00 61.00 63.04 1x9l s PRO 27 Cb -0.07 -3.00 -0.11 0.00 0.04 0.00 0.00 34.50 31.36 1x9l s PRO 27 CO -0.12 -0.21 3.14 1.33 0.04 0.00 0.00 177.00 181.18 1x9l n VAL 28 N 0.68 3.71 -2.71 -0.36 0.24 -1.26 -3.98 118.33 114.65 1x9l n VAL 28 Ca 0.01 -2.42 -0.08 0.00 -2.04 0.00 0.00 64.34 59.81 1x9l n VAL 28 Cb 0.43 -2.11 0.11 0.00 -1.47 0.00 0.00 33.84 30.79 1x9l n VAL 28 CO 0.00 0.00 0.00 1.07 -2.14 0.00 0.00 176.83 175.76 1x9l n THR 29 N 2.42 0.00 -1.82 3.34 5.66 -1.26 -4.45 114.28 118.16 1x9l n THR 29 Ca 0.57 -1.48 -0.41 0.00 -3.05 0.00 0.00 64.05 59.68 1x9l n THR 29 Cb 0.58 1.19 -0.01 0.00 -1.55 0.00 0.00 70.33 70.54 1x9l n THR 29 CO 0.00 0.00 0.00 0.55 -3.05 0.00 0.00 175.07 172.57 1x9l n VAL 30 N -0.21 4.35 -3.63 1.08 3.14 -1.26 -4.81 118.33 117.01 1x9l n VAL 30 Ca 0.00 -3.54 -0.16 0.00 -2.96 0.00 0.00 64.34 57.68 1x9l n VAL 30 Cb 0.79 -2.42 -0.07 0.00 -1.06 0.00 0.00 33.84 31.07 1x9l n VAL 30 CO 0.00 0.00 0.00 -1.58 -6.46 0.00 0.00 176.83 168.79 1x9l s GLN 31 N 1.17 0.88 0.04 1.45 2.00 -1.26 -4.83 119.66 119.10 1x9l s GLN 31 Ca 0.53 0.07 -0.07 0.00 -2.00 0.00 0.00 55.36 53.89 1x9l s GLN 31 Cb 0.15 0.41 -0.05 0.00 0.80 0.00 0.00 33.01 34.32 1x9l s GLN 31 CO -0.06 -0.26 0.31 0.20 -0.50 0.00 0.00 175.29 174.97 1x9l s GLY 32 N -1.24 2.27 0.59 2.59 0.00 -1.26 -4.96 107.32 105.31 1x9l s GLY 32 Ca -0.12 -0.54 -0.09 0.00 0.00 0.00 0.00 44.72 43.97 1x9l s GLY 32 CO 0.07 -0.36 0.96 0.00 0.00 0.00 0.00 173.10 173.78 1x9l s ALA 33 N -1.36 3.17 -0.02 3.20 0.00 0.07 -4.80 121.76 122.02 1x9l s ALA 33 Ca 0.30 -0.28 0.07 0.00 0.00 0.00 0.00 51.96 52.05 1x9l s ALA 33 Cb -0.13 -2.90 -0.02 0.00 0.00 0.00 0.00 23.12 20.07 1x9l s ALA 33 CO 0.18 -0.67 -0.22 0.99 0.00 0.00 0.00 175.76 176.04 1x9l s THR 34 N -3.07 1.70 -0.11 0.00 2.01 -0.14 -0.52 115.64 115.51 1x9l s THR 34 Ca 0.53 -0.92 -0.03 0.00 0.31 0.00 0.00 61.69 61.58 1x9l s THR 34 Cb -0.11 -1.41 -0.03 0.00 0.01 0.00 0.00 72.50 70.96 1x9l s THR 34 CO 0.51 0.48 0.00 0.54 -0.69 0.00 0.00 174.62 175.46 1x9l s VAL 35 N -0.50 4.29 0.00 3.82 0.11 0.53 -0.45 120.40 128.20 1x9l s VAL 35 Ca 0.08 -0.24 -0.01 0.00 -2.93 0.00 0.00 61.98 58.88 1x9l s VAL 35 Cb -0.08 -2.84 -0.04 0.00 -1.53 0.00 0.00 36.38 31.89 1x9l s VAL 35 CO -0.01 0.57 2.18 0.00 -3.33 0.00 0.00 175.10 174.51 1x9l n ALA 36 N 2.59 4.27 0.00 1.54 0.00 0.05 -0.24 120.51 128.72 1x9l n ALA 36 Ca -0.18 -0.26 0.00 0.00 0.00 0.00 0.00 53.44 53.00 1x9l n ALA 36 Cb 0.53 -1.22 0.00 0.00 0.00 0.00 0.00 19.45 18.77 1x9l n ALA 36 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1x9l n ALA 37 N 1.66 0.00 -2.57 0.00 0.00 -1.26 -3.09 120.51 115.25 1x9l n ALA 37 Ca 0.06 0.00 -0.43 0.00 0.00 0.00 0.00 53.44 53.07 1x9l n ALA 37 Cb 0.55 0.00 -0.09 0.00 0.00 0.00 0.00 19.45 19.91 1x9l n ALA 37 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1x9l s VAL 38 N 0.00 5.13 0.85 0.00 1.01 -1.26 -4.71 120.40 121.42 1x9l s VAL 38 Ca 0.00 -0.55 -0.12 0.00 0.00 0.00 0.00 61.98 61.31 1x9l s VAL 38 Cb 0.00 -4.06 0.10 0.00 0.00 0.00 0.00 36.38 32.42 1x9l s VAL 38 CO 0.00 -0.46 1.11 -2.16 0.00 0.00 0.00 175.10 173.58 1x9l s PRO 39 N 2.00 1.65 -0.96 2.72 0.04 -1.18 -4.91 135.00 134.37 1x9l s PRO 39 Ca 0.09 0.54 -0.13 0.00 0.04 0.00 0.00 61.00 61.55 1x9l s PRO 39 Cb -0.19 -1.88 -0.09 0.00 0.04 0.00 0.00 34.50 32.39 1x9l s PRO 39 CO 0.11 -1.90 2.11 -0.35 0.04 0.00 0.00 177.00 177.01 1x9l n PRO 40 N -3.61 2.04 -2.70 0.56 -0.04 -1.26 -4.03 135.00 125.95 1x9l n PRO 40 Ca 0.07 -1.76 -0.07 0.00 -0.04 0.00 0.00 63.50 61.70 1x9l n PRO 40 Cb 0.57 -2.73 0.09 0.00 -0.04 0.00 0.00 33.50 31.39 1x9l n PRO 40 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1x9l n SER 41 N 5.60 -1.92 -0.62 3.54 2.88 -1.26 -5.05 113.62 116.78 1x9l n SER 41 Ca 0.49 -2.87 0.08 0.00 -1.33 0.00 0.00 58.87 55.24 1x9l n SER 41 Cb 0.27 1.48 -0.03 0.00 -0.75 0.00 0.00 64.21 65.18 1x9l n SER 41 CO 0.00 0.00 0.00 -0.38 -1.23 0.00 0.00 175.04 173.43 1x9l n ILE 42 N 0.05 0.00 -0.32 2.46 5.41 -1.26 -4.28 119.36 121.43 1x9l n ILE 42 Ca -0.02 0.20 0.21 0.00 1.00 0.00 0.00 62.75 64.15 1x9l n ILE 42 Cb 0.74 -0.41 0.42 0.00 -0.71 0.00 0.00 39.64 39.68 1x9l n ILE 42 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 176.55 176.63 1x9l h ARG 43 N -0.60 0.28 -6.56 0.38 0.11 -1.95 -3.41 114.38 102.65 1x9l h ARG 43 Ca -0.04 -0.02 -0.59 0.00 0.10 0.00 0.00 59.98 59.43 1x9l h ARG 43 Cb 0.59 -0.06 0.12 0.00 1.11 0.00 0.00 29.97 31.72 1x9l h ARG 43 CO 0.02 0.19 0.17 -0.25 0.10 0.00 0.00 179.97 180.19 1x9l n ASP 44 N -5.10 1.39 -1.47 0.08 8.00 -1.26 -4.49 116.55 113.70 1x9l n ASP 44 Ca 0.29 1.13 -0.02 0.00 0.71 0.00 0.00 54.79 56.90 1x9l n ASP 44 Cb 0.90 -1.33 0.01 0.00 -0.02 0.00 0.00 41.12 40.67 1x9l n ASP 44 CO 0.00 0.00 0.00 1.07 -0.39 0.00 0.00 177.20 177.88 1x9l n THR 45 N -0.02 0.00 -3.84 -3.53 5.66 -1.26 -4.52 114.28 106.77 1x9l n THR 45 Ca 0.09 -0.22 -0.09 0.00 -3.05 0.00 0.00 64.05 60.78 1x9l n THR 45 Cb 0.35 0.23 -0.07 0.00 -1.55 0.00 0.00 70.33 69.29 1x9l n THR 45 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1x9l s ALA 46 N -1.26 -0.29 0.12 1.79 0.00 -1.26 -2.20 121.76 118.64 1x9l s ALA 46 Ca 0.04 -0.52 -0.14 0.00 0.00 0.00 0.00 51.96 51.34 1x9l s ALA 46 Cb -0.01 0.46 -0.07 0.00 0.00 0.00 0.00 23.12 23.50 1x9l s ALA 46 CO 0.03 -0.49 0.51 0.00 0.00 0.00 0.00 175.76 175.81 1x9l s ALA 47 N -3.63 3.61 -0.13 0.00 0.00 0.49 -0.77 121.76 121.34 1x9l s ALA 47 Ca 0.03 -0.16 -0.00 0.00 0.00 0.00 0.00 51.96 51.82 1x9l s ALA 47 Cb 0.04 -2.48 0.03 0.00 0.00 0.00 0.00 23.12 20.70 1x9l s ALA 47 CO -0.10 0.47 -0.08 0.71 0.00 0.00 0.00 175.76 176.76 1x9l s TYR 48 N -1.39 1.65 0.15 0.00 1.51 0.40 -4.19 117.35 115.48 1x9l s TYR 48 Ca 0.35 -0.89 -0.06 0.00 -1.01 0.00 0.00 57.07 55.46 1x9l s TYR 48 Cb -0.15 -1.31 0.02 0.00 -0.11 0.00 0.00 41.96 40.41 1x9l s TYR 48 CO 0.18 -0.56 0.32 0.00 -1.11 0.00 0.00 175.55 174.39 1x9l n MET 49 N 4.90 0.43 -4.45 -0.62 0.00 -1.12 -0.96 117.12 115.29 1x9l n MET 49 Ca -0.13 -0.84 -0.21 0.00 0.00 0.00 0.00 57.70 56.52 1x9l n MET 49 Cb 0.50 1.06 -0.16 0.00 0.00 0.00 0.00 33.22 34.62 1x9l n MET 49 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 175.97 176.96 1x9l s THR 50 N -2.61 0.87 -0.26 3.17 2.01 -1.26 -0.14 115.64 117.42 1x9l s THR 50 Ca 0.07 -0.41 -0.15 0.00 0.31 0.00 0.00 61.69 61.51 1x9l s THR 50 Cb -0.02 -0.77 -0.04 0.00 0.01 0.00 0.00 72.50 71.68 1x9l s THR 50 CO 0.04 0.27 0.36 -0.76 -0.69 0.00 0.00 174.62 173.84 1x9l s LEU 51 N 0.16 4.06 -0.90 4.42 1.02 -0.49 -4.47 118.68 122.47 1x9l s LEU 51 Ca -0.03 0.30 -0.02 0.00 0.02 0.00 0.00 54.13 54.41 1x9l s LEU 51 Cb -0.09 -2.41 0.22 0.00 0.02 0.00 0.00 46.19 43.93 1x9l s LEU 51 CO 0.01 -0.15 0.80 0.41 0.02 0.00 0.00 176.35 177.44 1x9l n THR 52 N 4.97 3.06 -2.61 5.49 -1.04 -1.26 -2.45 114.28 120.43 1x9l n THR 52 Ca -0.09 -5.13 -0.41 0.00 -2.04 0.00 0.00 64.05 56.37 1x9l n THR 52 Cb 0.51 -2.37 -0.03 0.00 -1.82 0.00 0.00 70.33 66.62 1x9l n THR 52 CO 0.00 0.00 0.00 0.21 -0.64 0.00 0.00 175.07 174.64 1x9l s ASN 53 N -0.22 6.41 -1.13 8.00 3.84 -1.17 -4.19 114.94 126.48 1x9l s ASN 53 Ca 0.28 -1.25 -0.08 0.00 0.21 0.00 0.00 52.86 52.03 1x9l s ASN 53 Cb -0.06 -2.54 -0.06 0.00 -0.55 0.00 0.00 41.25 38.03 1x9l s ASN 53 CO -0.12 -1.54 2.95 0.29 -2.79 0.00 0.00 177.10 175.89 1x9l n LYS 54 N 8.72 3.46 -3.56 0.43 4.76 -1.26 -4.36 118.16 126.35 1x9l n LYS 54 Ca 0.23 -2.26 -0.07 0.00 -2.87 0.00 0.00 58.31 53.34 1x9l n LYS 54 Cb 0.50 -2.54 -0.03 0.00 -1.84 0.00 0.00 35.03 31.12 1x9l n LYS 54 CO 0.00 0.00 0.00 0.45 -1.37 0.00 0.00 177.40 176.48 1x9l s SER 55 N 1.56 -0.26 -1.52 4.39 0.15 -1.26 -4.83 113.70 111.93 1x9l s SER 55 Ca 0.65 0.07 -0.10 0.00 0.70 0.00 0.00 55.95 57.27 1x9l s SER 55 Cb 0.23 0.26 -0.01 0.00 -1.71 0.00 0.00 66.02 64.79 1x9l s SER 55 CO -0.07 -0.40 2.68 0.47 1.20 0.00 0.00 173.24 177.12 1x9l n ASP 56 N 0.00 7.74 -3.77 5.45 9.92 -1.26 -1.90 116.55 132.73 1x9l n ASP 56 Ca -0.05 -2.76 -0.24 0.00 -0.53 0.00 0.00 54.79 51.20 1x9l n ASP 56 Cb 0.60 -1.53 -0.17 0.00 -0.64 0.00 0.00 41.12 39.38 1x9l n ASP 56 CO 0.00 0.00 0.00 -1.10 0.13 0.00 0.00 177.20 176.23 1x9l s GLN 57 N 1.48 0.68 -0.10 -1.24 -1.52 -1.25 -4.77 119.66 112.94 1x9l s GLN 57 Ca 0.62 -0.05 -0.30 0.00 -1.95 0.00 0.00 55.36 53.68 1x9l s GLN 57 Cb 0.17 -1.30 -0.03 0.00 -0.22 0.00 0.00 33.01 31.63 1x9l s GLN 57 CO -0.07 -0.39 1.25 -1.25 -0.25 0.00 0.00 175.29 174.58 1x9l s PRO 58 N 1.93 4.29 -0.24 2.91 0.04 -1.26 -3.91 135.00 138.76 1x9l s PRO 58 Ca 0.04 1.69 -0.02 0.00 0.04 0.00 0.00 61.00 62.75 1x9l s PRO 58 Cb -0.13 -3.66 0.07 0.00 0.04 0.00 0.00 34.50 30.82 1x9l s PRO 58 CO -0.06 -0.58 0.05 0.42 0.04 0.00 0.00 177.00 176.87 1x9l s ILE 59 N 2.83 0.76 -0.23 0.56 1.09 -1.16 -4.87 121.20 120.17 1x9l s ILE 59 Ca 0.56 -0.93 -0.19 0.00 -1.10 0.00 0.00 60.65 58.99 1x9l s ILE 59 Cb -0.24 -1.34 -0.02 0.00 -1.06 0.00 0.00 42.46 39.80 1x9l s ILE 59 CO 0.19 -0.36 0.58 -1.59 -0.10 0.00 0.00 174.94 173.66 1x9l s LYS 60 N 1.72 4.13 -0.20 2.79 -2.85 -1.26 -4.10 119.74 119.97 1x9l s LYS 60 Ca 0.02 0.47 -0.08 0.00 -1.00 0.00 0.00 55.97 55.38 1x9l s LYS 60 Cb -0.17 -3.62 -0.04 0.00 -2.06 0.00 0.00 37.83 31.93 1x9l s LYS 60 CO -0.14 -0.31 0.09 -0.48 0.10 0.00 0.00 175.35 174.61 1x9l s LEU 61 N 2.17 3.90 -0.37 2.77 -0.00 -0.62 -2.48 118.68 124.05 1x9l s LEU 61 Ca 0.25 0.08 0.12 0.00 -0.00 0.00 0.00 54.13 54.59 1x9l s LEU 61 Cb -0.16 -2.01 0.37 0.00 -0.00 0.00 0.00 46.19 44.40 1x9l s LEU 61 CO 0.09 0.13 0.86 0.55 -0.00 0.00 0.00 176.35 177.99 1x9l n VAL 62 N 3.81 0.13 -3.49 1.48 3.14 -1.22 -3.12 118.33 119.05 1x9l n VAL 62 Ca -0.16 -3.68 -0.16 0.00 -2.96 0.00 0.00 64.34 57.38 1x9l n VAL 62 Cb 0.52 0.24 -0.05 0.00 -1.06 0.00 0.00 33.84 33.50 1x9l n VAL 62 CO 0.00 0.00 0.00 -0.83 -6.46 0.00 0.00 176.83 169.54 1x9l s GLY 63 N -2.38 -0.58 -0.46 7.55 0.00 -1.12 -4.77 107.32 105.56 1x9l s GLY 63 Ca 0.34 1.03 0.07 0.00 0.00 0.00 0.00 44.72 46.16 1x9l s GLY 63 CO -0.05 0.68 1.03 0.00 0.00 0.00 0.00 173.10 174.77 1x9l n ALA 64 N 0.50 -0.62 -2.11 3.20 0.00 -1.26 -4.38 120.51 115.85 1x9l n ALA 64 Ca -0.18 -1.65 -0.39 0.00 0.00 0.00 0.00 53.44 51.21 1x9l n ALA 64 Cb 0.60 -1.17 -0.06 0.00 0.00 0.00 0.00 19.45 18.82 1x9l n ALA 64 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1x9l s ALA 65 N 0.10 3.45 -0.14 0.00 0.00 0.01 -4.78 121.76 120.41 1x9l s ALA 65 Ca 0.26 0.30 -0.30 0.00 0.00 0.00 0.00 51.96 52.22 1x9l s ALA 65 Cb 0.28 -2.92 0.12 0.00 0.00 0.00 0.00 23.12 20.60 1x9l s ALA 65 CO -0.09 0.26 0.99 -0.08 0.00 0.00 0.00 175.76 176.84 1x9l s THR 66 N -0.92 0.00 -0.78 0.00 -1.32 -1.26 0.12 115.64 111.49 1x9l s THR 66 Ca 0.35 0.00 -0.06 0.00 -1.21 0.00 0.00 61.69 60.77 1x9l s THR 66 Cb -0.22 -1.00 -0.12 0.00 -1.51 0.00 0.00 72.50 69.65 1x9l s THR 66 CO 0.25 0.00 2.60 -0.81 -2.21 0.00 0.00 174.62 174.45 1x9l n PRO 67 N 0.61 2.31 0.00 7.08 -0.04 -1.26 -4.00 135.00 139.69 1x9l n PRO 67 Ca -0.10 -1.40 0.00 0.00 -0.04 0.00 0.00 63.50 61.96 1x9l n PRO 67 Cb 0.58 -2.33 0.00 0.00 -0.04 0.00 0.00 33.50 31.71 1x9l n PRO 67 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 1x9l n LEU 68 N 3.46 0.00 -4.75 1.53 4.77 -1.26 -4.74 117.00 116.02 1x9l n LEU 68 Ca 0.49 0.00 -0.41 0.00 -0.03 0.00 0.00 56.01 56.06 1x9l n LEU 68 Cb 0.36 0.00 -0.04 0.00 -2.33 0.00 0.00 43.42 41.41 1x9l n LEU 68 CO 0.55 0.00 0.86 0.00 -1.33 0.00 0.00 177.39 177.47 1x9l s ALA 69 N -2.00 3.43 0.08 -1.18 0.00 -1.26 -0.70 121.76 120.14 1x9l s ALA 69 Ca 0.00 0.96 0.05 0.00 0.00 0.00 0.00 51.96 52.97 1x9l s ALA 69 Cb 0.00 -3.39 -0.23 0.00 0.00 0.00 0.00 23.12 19.49 1x9l s ALA 69 CO 0.00 -0.33 1.15 1.15 0.00 0.00 0.00 175.76 177.73 1x9l h THR 70 N 3.51 1.53 -2.39 0.00 2.02 -0.16 -3.42 112.91 114.00 1x9l h THR 70 Ca -0.45 -3.23 -0.61 0.00 0.77 0.00 0.00 66.41 62.89 1x9l h THR 70 Cb 1.21 2.81 -0.42 0.00 -1.74 0.00 0.00 68.15 70.02 1x9l h THR 70 CO 0.72 0.90 -0.57 -0.24 0.37 0.00 0.00 175.52 176.69 1x9l n SER 71 N -3.36 3.64 -4.55 4.18 2.88 0.34 -5.00 113.62 111.76 1x9l n SER 71 Ca -0.05 -3.40 -0.39 0.00 -1.33 0.00 0.00 58.87 53.70 1x9l n SER 71 Cb 0.98 -0.70 -0.03 0.00 -0.75 0.00 0.00 64.21 63.71 1x9l n SER 71 CO 0.00 0.00 0.00 -2.16 -1.23 0.00 0.00 175.04 171.65 1x9l s PRO 72 N -2.27 3.09 -0.18 -1.46 0.04 -1.26 -1.14 135.00 131.81 1x9l s PRO 72 Ca 0.37 -0.22 -0.07 0.00 0.04 0.00 0.00 61.00 61.12 1x9l s PRO 72 Cb 0.11 -4.53 -0.04 0.00 0.04 0.00 0.00 34.50 30.08 1x9l s PRO 72 CO -0.04 -2.40 0.04 -1.64 0.04 0.00 0.00 177.00 173.00 1x9l s MET 73 N 6.00 3.87 0.26 4.56 -1.94 -0.26 -4.83 119.30 126.95 1x9l s MET 73 Ca 0.47 -0.40 -0.20 0.00 -1.71 0.00 0.00 55.69 53.85 1x9l s MET 73 Cb -0.07 -3.16 -0.09 0.00 2.01 0.00 0.00 34.83 33.52 1x9l s MET 73 CO 0.10 0.21 0.77 -0.51 -0.01 0.00 0.00 175.02 175.58 1x9l s LEU 74 N 0.52 4.30 0.12 -0.03 1.43 -1.26 0.12 118.68 123.88 1x9l s LEU 74 Ca 0.02 1.49 -0.00 0.00 -1.03 0.00 0.00 54.13 54.60 1x9l s LEU 74 Cb -0.13 -3.75 -0.04 0.00 0.03 0.00 0.00 46.19 42.30 1x9l s LEU 74 CO 0.01 -0.02 0.02 -0.04 0.23 0.00 0.00 176.35 176.55 1x9l s MET 75 N -2.14 0.88 0.32 1.70 -1.94 0.69 -4.47 119.30 114.34 1x9l s MET 75 Ca 0.46 -1.40 0.07 0.00 -1.71 0.00 0.00 55.69 53.10 1x9l s MET 75 Cb -0.16 0.14 -0.02 0.00 2.01 0.00 0.00 34.83 36.80 1x9l s MET 75 CO 0.21 -0.20 0.39 0.99 -0.01 0.00 0.00 175.02 176.40 1x9l s THR 76 N -3.94 4.10 0.57 2.05 2.01 -1.26 -1.33 115.64 117.84 1x9l s THR 76 Ca 0.20 -1.12 0.04 0.00 0.31 0.00 0.00 61.69 61.12 1x9l s THR 76 Cb 0.07 -3.41 0.06 0.00 0.01 0.00 0.00 72.50 69.24 1x9l s THR 76 CO -0.01 -0.19 0.79 0.28 -0.69 0.00 0.00 174.62 174.80 1x9l s THR 77 N -2.18 2.48 -0.95 -0.82 -1.32 -1.26 -0.67 115.64 110.91 1x9l s THR 77 Ca 0.42 -0.80 -0.02 0.00 -1.21 0.00 0.00 61.69 60.08 1x9l s THR 77 Cb -0.08 -2.68 0.31 0.00 -1.51 0.00 0.00 72.50 68.54 1x9l s THR 77 CO 0.29 0.00 1.96 0.41 -2.21 0.00 0.00 174.62 175.08 1x9l n THR 78 N -2.34 5.02 -3.30 5.08 -1.04 -1.26 -0.66 114.28 115.79 1x9l n THR 78 Ca 0.12 -5.17 0.00 0.00 -2.04 0.00 0.00 64.05 56.96 1x9l n THR 78 Cb 0.60 -1.46 0.00 0.00 -1.82 0.00 0.00 70.33 67.66 1x9l n THR 78 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1x9l n HIS 79 N -0.14 0.00 -0.77 -1.42 1.44 -1.24 -4.80 115.22 108.29 1x9l n HIS 79 Ca 0.50 0.00 -0.31 0.00 -2.01 0.00 0.00 57.72 55.90 1x9l n HIS 79 Cb 0.26 0.00 0.11 0.00 0.12 0.00 0.00 29.99 30.48 1x9l n HIS 79 CO 0.00 0.00 0.00 0.43 -2.81 0.00 0.00 176.34 173.96 1x9l n SER 80 N 1.22 -2.66 0.00 4.39 7.64 -1.24 -2.02 113.62 120.95 1x9l n SER 80 Ca 0.00 -0.11 0.00 0.00 1.01 0.00 0.00 58.87 59.77 1x9l n SER 80 Cb 0.00 -0.74 0.00 0.00 -1.01 0.00 0.00 64.21 62.46 1x9l n SER 80 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1x9l n GLY 81 N 2.67 1.37 0.00 0.23 0.00 -1.26 -4.57 105.19 103.62 1x9l n GLY 81 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 46.02 46.01 1x9l n GLY 81 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1x9l n GLY 82 N 0.00 0.40 0.00 -0.02 0.00 -1.23 -4.58 105.19 99.76 1x9l n GLY 82 Ca 0.00 -1.38 0.00 0.00 0.00 0.00 0.00 46.02 44.64 1x9l n GLY 82 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1x9l n MET 83 N 0.00 0.00 0.00 1.61 2.81 -0.85 -4.88 117.12 115.81 1x9l n MET 83 Ca 0.00 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 55.89 1x9l n MET 83 Cb 0.00 0.00 0.00 0.00 -0.71 0.00 0.00 33.22 32.51 1x9l n MET 83 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1x9l n ALA 84 N -1.61 0.00 0.00 3.04 0.00 -1.06 -3.64 120.51 117.24 1x9l n ALA 84 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1x9l n ALA 84 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 1x9l n ALA 84 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1x9l n GLY 85 N 0.00 3.99 1.72 0.00 0.00 0.17 -4.84 105.19 106.23 1x9l n GLY 85 Ca 0.00 -0.67 -0.04 0.00 0.00 0.00 0.00 46.02 45.31 1x9l n GLY 85 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 173.32 173.19 1x9l n MET 86 N -1.29 1.24 -2.37 1.61 1.56 -1.26 -4.44 117.12 112.18 1x9l n MET 86 Ca 0.00 -0.33 -0.30 0.00 -0.27 0.00 0.00 57.70 56.80 1x9l n MET 86 Cb 0.00 -1.37 -0.01 0.00 2.15 0.00 0.00 33.22 33.99 1x9l n MET 86 CO 0.00 0.00 0.00 -1.59 -0.73 0.00 0.00 175.97 173.65 1x9l s LYS 87 N 0.53 3.69 -1.43 2.12 -2.85 -1.26 -4.86 119.74 115.69 1x9l s LYS 87 Ca 0.22 0.60 -0.13 0.00 -1.00 0.00 0.00 55.97 55.66 1x9l s LYS 87 Cb 0.11 -2.23 0.06 0.00 -2.06 0.00 0.00 37.83 33.71 1x9l s LYS 87 CO 0.00 -0.31 2.16 -0.12 0.10 0.00 0.00 175.35 177.18 1x9l n MET 88 N -2.09 2.98 -0.66 1.78 0.00 -1.26 -4.39 117.12 113.48 1x9l n MET 88 Ca 0.04 -2.77 -0.31 0.00 -0.00 0.00 0.00 57.70 54.66 1x9l n MET 88 Cb 0.54 -3.24 0.18 0.00 0.00 0.00 0.00 33.22 30.70 1x9l n MET 88 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 175.97 177.30 1x9l n VAL 89 N 4.87 0.00 -0.34 1.12 0.24 -1.26 -4.93 118.33 118.02 1x9l n VAL 89 Ca 0.50 -0.13 0.23 0.00 -2.04 0.00 0.00 64.34 62.90 1x9l n VAL 89 Cb 0.39 -0.90 0.49 0.00 -1.47 0.00 0.00 33.84 32.34 1x9l n VAL 89 CO 0.00 0.00 0.00 -0.65 -2.14 0.00 0.00 176.83 174.04 1x9l h PRO 90 N -1.99 0.38 0.00 7.34 0.11 -1.92 -3.45 132.00 132.47 1x9l h PRO 90 Ca -0.47 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.62 1x9l h PRO 90 Cb 1.29 -0.09 0.00 0.00 0.11 0.00 0.00 31.00 32.31 1x9l h PRO 90 CO 0.41 0.25 0.00 -2.67 -0.21 0.00 0.00 178.00 175.78 1x9l n TRP 91 N -4.75 0.00 -4.01 0.65 -0.00 -1.26 -4.85 117.44 103.22 1x9l n TRP 91 Ca 0.28 0.00 -0.31 0.00 -0.00 0.00 0.00 57.50 57.47 1x9l n TRP 91 Cb 0.92 0.00 -0.16 0.00 -0.00 0.00 0.00 31.31 32.07 1x9l n TRP 91 CO 0.00 0.00 0.00 -1.17 -0.00 0.00 0.00 177.69 176.52 1x9l s LEU 92 N 0.00 2.33 -0.62 5.67 1.98 -1.18 -4.76 118.68 122.10 1x9l s LEU 92 Ca 0.00 -0.89 -0.25 0.00 -2.89 0.00 0.00 54.13 50.10 1x9l s LEU 92 Cb 0.00 -1.28 0.04 0.00 0.66 0.00 0.00 46.19 45.61 1x9l s LEU 92 CO 0.00 -0.13 1.06 -0.89 -1.89 0.00 0.00 176.35 174.50 1x9l s THR 93 N 1.37 4.17 -0.23 3.68 2.01 -1.26 -1.59 115.64 123.78 1x9l s THR 93 Ca -0.01 0.24 -0.27 0.00 0.31 0.00 0.00 61.69 61.96 1x9l s THR 93 Cb -0.16 -4.69 0.00 0.00 0.01 0.00 0.00 72.50 67.67 1x9l s THR 93 CO -0.08 -1.39 0.94 0.27 -0.69 0.00 0.00 174.62 173.66 1x9l s ILE 94 N 4.51 4.75 0.08 1.82 -5.25 -1.26 -4.94 121.20 120.91 1x9l s ILE 94 Ca 0.31 1.82 -0.23 0.00 -0.99 0.00 0.00 60.65 61.56 1x9l s ILE 94 Cb -0.12 -4.22 -0.06 0.00 2.95 0.00 0.00 42.46 41.01 1x9l s ILE 94 CO 0.17 -0.13 0.71 -2.16 -1.79 0.00 0.00 174.94 171.75 1x9l s PRO 95 N 3.00 4.44 3.51 0.37 0.04 -1.26 -3.00 135.00 142.11 1x9l s PRO 95 Ca 0.40 0.99 0.00 0.00 0.04 0.00 0.00 61.00 62.43 1x9l s PRO 95 Cb -0.15 -3.31 0.00 0.00 0.04 0.00 0.00 34.50 31.08 1x9l s PRO 95 CO 0.07 0.44 0.00 0.00 0.04 0.00 0.00 177.00 177.55 1x9l n ALA 96 N 2.25 0.00 -0.57 8.56 0.00 -1.25 -2.87 120.51 126.62 1x9l n ALA 96 Ca -0.05 0.00 -0.17 0.00 0.00 0.00 0.00 53.44 53.22 1x9l n ALA 96 Cb 0.50 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.93 1x9l n ALA 96 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 177.50 180.39 1x9l n ARG 97 N 14.00 1.60 -1.90 0.00 1.85 -0.80 -3.87 116.66 127.54 1x9l n ARG 97 Ca 0.00 -1.21 -0.23 0.00 -1.00 0.00 0.00 57.85 55.42 1x9l n ARG 97 Cb 0.00 -2.32 -0.06 0.00 -1.05 0.00 0.00 32.46 29.03 1x9l n ARG 97 CO 0.00 0.00 0.00 0.20 -0.01 0.00 0.00 177.63 177.82 1x9l s GLY 98 N 3.67 -0.18 -1.36 2.89 0.00 -1.14 -4.71 107.32 106.49 1x9l s GLY 98 Ca 0.31 -1.48 -0.10 0.00 0.00 0.00 0.00 44.72 43.45 1x9l s GLY 98 CO -0.03 3.75 2.14 2.41 0.00 0.00 0.00 173.10 181.37 1x9l n THR 99 N 8.19 4.26 -3.26 0.90 -1.04 -1.25 -3.04 114.28 119.03 1x9l n THR 99 Ca 0.43 -3.89 -0.20 0.00 -2.04 0.00 0.00 64.05 58.35 1x9l n THR 99 Cb 0.46 -2.40 0.02 0.00 -1.82 0.00 0.00 70.33 66.59 1x9l n THR 99 CO 0.00 0.00 0.00 -1.48 -0.64 0.00 0.00 175.07 172.95 1x9l s LEU 100 N 0.16 3.19 -0.23 -4.42 2.34 -1.03 -4.97 118.68 113.73 1x9l s LEU 100 Ca 0.46 -0.82 -0.13 0.00 0.06 0.00 0.00 54.13 53.71 1x9l s LEU 100 Cb 0.13 -1.83 0.07 0.00 -0.56 0.00 0.00 46.19 44.00 1x9l s LEU 100 CO -0.04 -1.07 0.55 0.28 -1.06 0.00 0.00 176.35 175.01 1x9l s THR 101 N -2.59 -0.02 -0.12 5.48 -1.32 -1.26 -1.40 115.64 114.41 1x9l s THR 101 Ca 0.53 0.05 -0.26 0.00 -1.21 0.00 0.00 61.69 60.80 1x9l s THR 101 Cb -0.06 -0.81 -0.02 0.00 -1.51 0.00 0.00 72.50 70.10 1x9l s THR 101 CO 0.33 0.02 0.84 -0.76 -2.21 0.00 0.00 174.62 172.83 1x9l s LEU 102 N 1.54 4.24 0.04 9.08 1.02 0.80 -4.67 118.68 130.73 1x9l s LEU 102 Ca -0.10 1.27 -0.08 0.00 0.02 0.00 0.00 54.13 55.25 1x9l s LEU 102 Cb -0.07 -3.27 -0.00 0.00 0.02 0.00 0.00 46.19 42.87 1x9l s LEU 102 CO -0.16 -0.32 0.15 -1.10 0.02 0.00 0.00 176.35 174.94 1x9l s GLN 103 N 1.67 0.64 0.56 1.70 -0.21 0.92 -2.80 119.66 122.13 1x9l s GLN 103 Ca 0.41 -0.67 0.25 0.00 0.02 0.00 0.00 55.36 55.37 1x9l s GLN 103 Cb -0.18 0.26 1.50 0.00 1.00 0.00 0.00 33.01 35.59 1x9l s GLN 103 CO 0.16 -0.17 2.07 -0.09 -2.12 0.00 0.00 175.29 175.14 1x9l h ARG 104 N 3.59 0.00 0.07 2.91 1.12 -1.86 -3.02 114.38 117.19 1x9l h ARG 104 Ca -0.32 0.00 -0.00 0.00 -1.11 0.00 0.00 59.98 58.54 1x9l h ARG 104 Cb 1.19 0.00 0.00 0.00 -0.01 0.00 0.00 29.97 31.15 1x9l h ARG 104 CO 0.49 0.00 -0.04 -0.44 -3.11 0.00 0.00 179.97 176.87 1x9l h ASP 105 N 0.00 -0.08 -3.68 -3.80 3.32 -1.97 -3.49 116.42 106.72 1x9l h ASP 105 Ca 0.13 0.00 -0.10 0.00 0.02 0.00 0.00 57.03 57.07 1x9l h ASP 105 Cb 0.58 0.02 -0.24 0.00 0.22 0.00 0.00 39.33 39.91 1x9l h ASP 105 CO -0.00 0.40 -0.20 -0.83 -1.72 0.00 0.00 179.24 176.90 1x9l s GLY 106 N -3.44 -0.36 0.11 2.75 0.00 -1.14 -4.84 107.32 100.41 1x9l s GLY 106 Ca -0.01 1.42 0.00 0.00 0.00 0.00 0.00 44.72 46.13 1x9l s GLY 106 CO 0.04 1.34 0.00 1.34 0.00 0.00 0.00 173.10 175.82 1x9l n ASP 107 N 3.28 -5.63 0.00 1.64 2.03 0.15 -3.56 116.55 114.46 1x9l n ASP 107 Ca -0.16 0.71 0.00 0.00 0.52 0.00 0.00 54.79 55.86 1x9l n ASP 107 Cb 0.56 -3.06 0.00 0.00 -0.72 0.00 0.00 41.12 37.90 1x9l n ASP 107 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1x9l n HIS 108 N 0.94 0.00 -4.00 -0.67 1.44 -0.44 -0.06 115.22 112.43 1x9l n HIS 108 Ca 0.00 0.00 -0.35 0.00 -2.01 0.00 0.00 57.72 55.36 1x9l n HIS 108 Cb 0.00 0.00 -0.12 0.00 0.12 0.00 0.00 29.99 29.99 1x9l n HIS 108 CO 0.00 0.00 0.00 0.08 -2.81 0.00 0.00 176.34 173.61 1x9l s VAL 109 N -2.00 4.14 -0.81 0.61 1.01 -1.26 -0.22 120.40 121.87 1x9l s VAL 109 Ca 0.00 -0.25 -0.24 0.00 0.00 0.00 0.00 61.98 61.49 1x9l s VAL 109 Cb 0.00 -2.89 0.05 0.00 0.00 0.00 0.00 36.38 33.55 1x9l s VAL 109 CO 0.00 0.41 1.25 -0.04 0.00 0.00 0.00 175.10 176.72 1x9l s MET 110 N 1.04 3.31 -1.44 2.72 -1.94 0.12 -0.38 119.30 122.73 1x9l s MET 110 Ca 0.03 -0.70 -0.14 0.00 -1.71 0.00 0.00 55.69 53.17 1x9l s MET 110 Cb -0.14 -4.54 0.02 0.00 2.01 0.00 0.00 34.83 32.17 1x9l s MET 110 CO 0.02 -2.07 2.27 1.28 -0.01 0.00 0.00 175.02 176.51 1x9l n LEU 111 N 8.71 6.88 -4.92 -0.03 4.77 -0.94 -1.10 117.00 130.37 1x9l n LEU 111 Ca 0.11 -4.09 -0.27 0.00 -0.03 0.00 0.00 56.01 51.73 1x9l n LEU 111 Cb 0.49 -1.62 0.05 0.00 -2.33 0.00 0.00 43.42 40.00 1x9l n LEU 111 CO 0.67 1.11 0.59 -0.04 -1.33 0.00 0.00 177.39 178.39 1x9l s MET 112 N 3.21 2.61 -1.11 3.23 -1.94 -0.30 -4.00 119.30 120.99 1x9l s MET 112 Ca 0.49 -0.07 -0.08 0.00 -1.71 0.00 0.00 55.69 54.32 1x9l s MET 112 Cb 0.14 -2.21 -0.04 0.00 2.01 0.00 0.00 34.83 34.74 1x9l s MET 112 CO -0.08 -0.96 0.88 0.41 -0.01 0.00 0.00 175.02 175.26 1x9l n GLY 113 N -2.76 -0.94 3.68 -0.03 0.00 -1.26 -0.50 105.19 103.37 1x9l n GLY 113 Ca 0.06 0.45 -0.42 0.00 0.00 0.00 0.00 46.02 46.12 1x9l n GLY 113 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1x9l s LEU 114 N -5.89 4.40 -0.08 0.99 1.43 -1.26 -0.36 118.68 117.91 1x9l s LEU 114 Ca 0.36 2.67 -0.00 0.00 -1.03 0.00 0.00 54.13 56.13 1x9l s LEU 114 Cb -0.07 -3.55 -0.00 0.00 0.03 0.00 0.00 46.19 42.59 1x9l s LEU 114 CO 0.78 -1.00 0.01 0.07 0.23 0.00 0.00 176.35 176.44 1x9l h LYS 115 N 9.20 -0.01 -7.25 1.70 2.10 -1.24 -3.47 116.57 117.60 1x9l h LYS 115 Ca -0.46 0.00 -0.51 0.00 -2.00 0.00 0.00 60.65 57.68 1x9l h LYS 115 Cb 1.22 0.00 0.11 0.00 -0.90 0.00 0.00 32.23 32.66 1x9l h LYS 115 CO 0.94 -0.01 0.35 -0.98 -2.00 0.00 0.00 179.45 177.76 1x9l s ARG 116 N -1.48 2.68 0.30 0.07 1.70 -1.26 -5.02 118.95 115.94 1x9l s ARG 116 Ca -0.00 1.25 -0.29 0.00 -0.47 0.00 0.00 55.73 56.22 1x9l s ARG 116 Cb 0.00 -1.94 -0.10 0.00 -0.57 0.00 0.00 34.95 32.34 1x9l s ARG 116 CO 0.00 -1.33 1.23 -1.25 -1.08 0.00 0.00 175.30 172.87 1x9l s PRO 117 N -4.46 4.47 0.83 3.89 0.04 -1.26 -5.04 135.00 133.47 1x9l s PRO 117 Ca 0.64 2.05 -0.06 0.00 0.04 0.00 0.00 61.00 63.66 1x9l s PRO 117 Cb -0.18 -3.13 0.17 0.00 0.04 0.00 0.00 34.50 31.40 1x9l s PRO 117 CO 0.47 -0.04 1.13 -0.51 0.04 0.00 0.00 177.00 178.10 1x9l s LEU 118 N -1.55 2.87 -0.29 -3.56 2.01 -1.26 -5.11 118.68 111.79 1x9l s LEU 118 Ca 0.48 -0.25 0.02 0.00 0.01 0.00 0.00 54.13 54.38 1x9l s LEU 118 Cb -0.36 -1.89 0.20 0.00 0.01 0.00 0.00 46.19 44.14 1x9l s LEU 118 CO 0.47 -2.29 0.70 -0.75 1.01 0.00 0.00 176.35 175.49 1x9l s LYS 119 N -5.45 0.46 -0.12 1.70 2.47 -1.26 -5.08 119.74 112.48 1x9l s LYS 119 Ca 0.71 0.48 -0.33 0.00 -1.56 0.00 0.00 55.97 55.26 1x9l s LYS 119 Cb -0.04 0.22 -0.11 0.00 -1.46 0.00 0.00 37.83 36.45 1x9l s LYS 119 CO 0.48 -0.85 1.96 0.28 0.16 0.00 0.00 175.35 177.38 1x9l n VAL 120 N 5.35 0.54 0.00 4.02 0.31 -1.26 -0.95 118.33 126.34 1x9l n VAL 120 Ca 0.05 -0.16 0.00 0.00 -0.01 0.00 0.00 64.34 64.22 1x9l n VAL 120 Cb 0.55 -1.97 0.00 0.00 -0.91 0.00 0.00 33.84 31.51 1x9l n VAL 120 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1x9l n GLY 121 N 4.78 1.45 0.00 2.92 0.00 0.49 -5.02 105.19 109.81 1x9l n GLY 121 Ca 0.25 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.27 1x9l n GLY 121 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1x9l n GLU 122 N -0.99 -0.20 -3.68 1.61 2.13 -0.13 -4.82 120.64 114.56 1x9l n GLU 122 Ca 0.00 0.00 -0.12 0.00 0.66 0.00 0.00 57.16 57.70 1x9l n GLU 122 Cb 0.00 0.00 -0.09 0.00 0.27 0.00 0.00 31.44 31.62 1x9l n GLU 122 CO 0.00 0.00 0.00 0.99 -0.41 0.00 0.00 177.13 177.71 1x9l s THR 123 N -0.98 -0.00 0.12 6.31 2.01 -1.26 -0.91 115.64 120.92 1x9l s THR 123 Ca 0.00 0.01 0.06 0.00 0.31 0.00 0.00 61.69 62.07 1x9l s THR 123 Cb 0.00 -0.77 -0.04 0.00 0.01 0.00 0.00 72.50 71.70 1x9l s THR 123 CO 0.00 0.01 -0.14 -0.69 -0.69 0.00 0.00 174.62 173.10 1x9l s VAL 124 N 0.62 1.33 0.34 3.82 1.01 0.07 -4.95 120.40 122.65 1x9l s VAL 124 Ca -0.03 -1.70 -0.24 0.00 0.00 0.00 0.00 61.98 60.01 1x9l s VAL 124 Cb -0.05 -1.52 -0.10 0.00 0.00 0.00 0.00 36.38 34.72 1x9l s VAL 124 CO -0.04 -0.40 0.93 0.20 0.00 0.00 0.00 175.10 175.79 1x9l s ASN 125 N -2.42 7.22 0.03 3.32 0.01 -1.26 -0.08 114.94 121.76 1x9l s ASN 125 Ca 0.08 1.77 0.03 0.00 -0.71 0.00 0.00 52.86 54.03 1x9l s ASN 125 Cb -0.05 -2.56 -0.04 0.00 0.41 0.00 0.00 41.25 39.02 1x9l s ASN 125 CO 0.03 -0.12 -0.01 -0.51 -1.51 0.00 0.00 177.10 174.97 1x9l s ILE 126 N -1.74 4.02 -0.26 0.60 2.07 0.30 -4.41 121.20 121.78 1x9l s ILE 126 Ca 0.52 -0.74 0.01 0.00 -1.41 0.00 0.00 60.65 59.02 1x9l s ILE 126 Cb -0.16 -2.82 0.05 0.00 0.13 0.00 0.00 42.46 39.66 1x9l s ILE 126 CO 0.21 0.31 -0.08 -0.89 -1.91 0.00 0.00 174.94 172.58 1x9l s THR 127 N -1.13 2.53 0.10 4.00 2.01 0.12 -0.68 115.64 122.59 1x9l s THR 127 Ca 0.21 -1.39 -0.10 0.00 0.31 0.00 0.00 61.69 60.72 1x9l s THR 127 Cb -0.11 -2.40 -0.06 0.00 0.01 0.00 0.00 72.50 69.93 1x9l s THR 127 CO 0.12 0.04 0.43 -0.22 -0.69 0.00 0.00 174.62 174.30 1x9l s LEU 128 N 1.20 4.33 -0.31 4.42 1.98 0.44 -0.81 118.68 129.94 1x9l s LEU 128 Ca -0.05 0.83 -0.01 0.00 -2.89 0.00 0.00 54.13 52.01 1x9l s LEU 128 Cb -0.19 -3.09 0.13 0.00 0.66 0.00 0.00 46.19 43.70 1x9l s LEU 128 CO -0.04 0.14 0.25 -1.59 -1.89 0.00 0.00 176.35 173.21 1x9l s LYS 129 N -2.02 0.35 0.24 1.98 -2.85 -1.26 -0.93 119.74 115.24 1x9l s LYS 129 Ca 0.35 -0.49 -0.25 0.00 -1.00 0.00 0.00 55.97 54.58 1x9l s LYS 129 Cb -0.14 -0.89 -0.09 0.00 -2.06 0.00 0.00 37.83 34.65 1x9l s LYS 129 CO 0.19 -1.07 0.85 0.00 0.10 0.00 0.00 175.35 175.41 1x9l s ALA 130 N 2.01 3.35 0.48 0.59 0.00 -0.76 -2.79 121.76 124.65 1x9l s ALA 130 Ca 0.11 0.42 0.18 0.00 0.00 0.00 0.00 51.96 52.67 1x9l s ALA 130 Cb -0.16 -3.04 1.22 0.00 0.00 0.00 0.00 23.12 21.14 1x9l s ALA 130 CO -0.26 0.25 2.08 0.00 0.00 0.00 0.00 175.76 177.83 1x9l h THR 131 N 2.95 0.97 -0.44 0.00 1.03 -1.81 0.28 112.91 115.90 1x9l h THR 131 Ca -0.47 -0.34 -0.07 0.00 -0.01 0.00 0.00 66.41 65.52 1x9l h THR 131 Cb 1.20 1.19 -0.02 0.00 -1.07 0.00 0.00 68.15 69.45 1x9l h THR 131 CO 0.66 0.09 -0.03 0.44 -0.01 0.00 0.00 175.52 176.67 1x9l h ASP 132 N 0.00 0.71 -1.66 0.00 3.32 -1.94 -3.40 116.42 113.45 1x9l h ASP 132 Ca -0.00 -0.18 -0.26 0.00 0.02 0.00 0.00 57.03 56.61 1x9l h ASP 132 Cb 0.18 -0.19 -0.27 0.00 0.22 0.00 0.00 39.33 39.27 1x9l h ASP 132 CO 0.01 0.80 -0.61 -0.83 -1.72 0.00 0.00 179.24 176.90 1x9l s GLY 133 N -3.77 -0.42 -0.57 2.75 0.00 0.81 -5.05 107.32 101.07 1x9l s GLY 133 Ca -0.09 -0.53 -0.07 0.00 0.00 0.00 0.00 44.72 44.02 1x9l s GLY 133 CO 0.81 3.03 3.32 0.54 0.00 0.00 0.00 173.10 180.79 1x9l n ARG 134 N 4.39 2.54 -3.15 2.90 3.00 -0.16 -1.82 116.66 124.37 1x9l n ARG 134 Ca 0.10 -1.40 -0.03 0.00 -0.01 0.00 0.00 57.85 56.51 1x9l n ARG 134 Cb 0.49 -2.27 -0.02 0.00 0.00 0.00 0.00 32.46 30.66 1x9l n ARG 134 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.63 178.62 1x9l s THR 135 N 1.49 -0.87 0.07 0.55 2.01 -1.25 -4.77 115.64 112.86 1x9l s THR 135 Ca 0.66 -0.41 -0.18 0.00 0.31 0.00 0.00 61.69 62.07 1x9l s THR 135 Cb 0.26 -0.13 0.04 0.00 0.01 0.00 0.00 72.50 72.69 1x9l s THR 135 CO -0.02 -0.12 0.43 -0.76 -0.69 0.00 0.00 174.62 173.46 1x9l s LEU 136 N 1.55 0.30 -0.13 4.42 1.43 -0.11 -4.97 118.68 121.18 1x9l s LEU 136 Ca 0.19 -0.05 -0.10 0.00 -1.03 0.00 0.00 54.13 53.15 1x9l s LEU 136 Cb -0.05 1.84 0.04 0.00 0.03 0.00 0.00 46.19 48.06 1x9l s LEU 136 CO -0.06 -0.72 0.34 0.21 0.23 0.00 0.00 176.35 176.34 1x9l s ASN 137 N -2.20 -0.37 0.13 2.29 3.84 -1.26 -0.42 114.94 116.95 1x9l s ASN 137 Ca -0.03 0.70 -0.07 0.00 0.21 0.00 0.00 52.86 53.67 1x9l s ASN 137 Cb -0.00 0.66 -0.02 0.00 -0.55 0.00 0.00 41.25 41.34 1x9l s ASN 137 CO -0.05 -0.14 0.19 -0.69 -2.79 0.00 0.00 177.10 173.63 1x9l s VAL 138 N 0.61 0.10 0.06 -5.21 1.01 0.15 -4.97 120.40 112.15 1x9l s VAL 138 Ca -0.04 -1.47 -0.22 0.00 0.00 0.00 0.00 61.98 60.26 1x9l s VAL 138 Cb -0.05 -1.74 -0.06 0.00 0.00 0.00 0.00 36.38 34.53 1x9l s VAL 138 CO -0.04 -0.47 0.64 0.00 0.00 0.00 0.00 175.10 175.24 1x9l s ALA 139 N -3.95 3.50 -0.25 5.51 0.00 -1.26 -0.54 121.76 124.77 1x9l s ALA 139 Ca 0.15 0.13 -0.01 0.00 0.00 0.00 0.00 51.96 52.23 1x9l s ALA 139 Cb 0.05 -2.78 0.03 0.00 0.00 0.00 0.00 23.12 20.42 1x9l s ALA 139 CO -0.03 0.26 -0.08 0.00 0.00 0.00 0.00 175.76 175.91 1x9l s ALA 140 N -0.68 2.66 -0.13 0.00 0.00 0.88 -0.75 121.76 123.74 1x9l s ALA 140 Ca 0.32 -1.52 -0.27 0.00 0.00 0.00 0.00 51.96 50.50 1x9l s ALA 140 Cb -0.20 -1.65 -0.02 0.00 0.00 0.00 0.00 23.12 21.25 1x9l s ALA 140 CO 0.20 -0.87 0.88 0.99 0.00 0.00 0.00 175.76 176.96 1x9l s THR 141 N 1.28 4.87 -0.77 0.00 2.01 0.32 -0.75 115.64 122.60 1x9l s THR 141 Ca -0.01 1.76 -0.23 0.00 0.31 0.00 0.00 61.69 63.52 1x9l s THR 141 Cb -0.17 -4.19 0.06 0.00 0.01 0.00 0.00 72.50 68.21 1x9l s THR 141 CO -0.05 0.05 1.14 -0.69 -0.69 0.00 0.00 174.62 174.39 1x9l s VAL 142 N 1.89 4.15 -0.27 3.82 1.01 -0.09 -0.34 120.40 130.56 1x9l s VAL 142 Ca 0.42 -0.35 -0.01 0.00 0.00 0.00 0.00 61.98 62.04 1x9l s VAL 142 Cb -0.17 -4.82 0.13 0.00 0.00 0.00 0.00 36.38 31.52 1x9l s VAL 142 CO 0.16 -1.65 0.29 -0.54 0.00 0.00 0.00 175.10 173.36 1x9l s LYS 143 N 4.49 0.30 0.05 2.72 -0.14 0.66 -0.38 119.74 127.45 1x9l s LYS 143 Ca 0.30 0.01 -0.36 0.00 -1.36 0.00 0.00 55.97 54.57 1x9l s LYS 143 Cb -0.10 -0.73 -0.15 0.00 -1.68 0.00 0.00 37.83 35.17 1x9l s LYS 143 CO 0.06 -0.92 1.56 0.36 -0.76 0.00 0.00 175.35 175.66 1x9l n LYS 144 N 5.32 1.71 -3.76 1.68 2.85 -1.25 -4.09 118.16 120.62 1x9l n LYS 144 Ca -0.03 0.62 -0.13 0.00 -1.05 0.00 0.00 58.31 57.72 1x9l n LYS 144 Cb 0.47 -2.35 -0.10 0.00 -0.65 0.00 0.00 35.03 32.40 1x9l n LYS 144 CO 0.00 0.00 0.00 -0.80 -0.05 0.00 0.00 177.40 176.55 1x9l s ASN 145 N 1.53 -0.29 -1.32 -5.58 0.01 -1.26 -4.88 114.94 103.14 1x9l s ASN 145 Ca 0.85 0.47 -0.18 0.00 -0.71 0.00 0.00 52.86 53.29 1x9l s ASN 145 Cb -0.82 0.55 0.02 0.00 0.41 0.00 0.00 41.25 41.42 1x9l s ASN 145 CO 0.46 -0.22 0.47 -0.38 -1.51 0.00 0.00 177.10 175.93 1x9l n ILE 146 N 2.39 -2.84 -1.20 0.60 -0.00 -1.26 -4.73 119.36 112.31 1x9l n ILE 146 Ca -0.16 -0.62 -0.20 0.00 -0.00 0.00 0.00 62.75 61.78 1x9l n ILE 146 Cb 0.57 -2.35 -0.12 0.00 -0.00 0.00 0.00 39.64 37.75 1x9l n ILE 146 CO 0.00 0.00 0.00 -1.84 -0.00 0.00 0.00 176.55 174.71 1x9l n GLU 147 N -4.69 2.39 0.00 0.38 0.28 -1.26 -4.07 120.64 113.68 1x9l n GLU 147 Ca -0.20 -1.58 0.00 0.00 -0.16 0.00 0.00 57.16 55.22 1x9l n GLU 147 Cb 0.62 -2.15 0.00 0.00 1.43 0.00 0.00 31.44 31.35 1x9l n GLU 147 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 1x9l n GLY 148 N 2.15 1.12 0.00 -1.84 0.00 -1.26 -4.30 105.19 101.06 1x9l n GLY 148 Ca 0.49 -0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.51 1x9l n GLY 148 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19