#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x9l n GLY 2 N 0.00 -1.42 0.00 3.03 0.00 -1.26 -5.08 105.19 100.46 1x9l n GLY 2 Ca 0.00 -1.53 0.00 0.00 0.00 0.00 0.00 46.02 44.49 1x9l n GLY 2 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 1x9l n HIS 3 N -0.49 0.00 -3.84 1.61 -0.00 -1.26 -5.17 115.22 106.08 1x9l n HIS 3 Ca 0.00 0.00 -0.10 0.00 -0.00 0.00 0.00 57.72 57.62 1x9l n HIS 3 Cb 0.00 0.00 -0.08 0.00 -0.00 0.00 0.00 29.99 29.91 1x9l n HIS 3 CO 0.00 0.00 0.00 0.95 -0.00 0.00 0.00 176.34 177.29 1x9l s THR 4 N -1.96 0.11 -0.26 3.57 -4.23 -1.26 -5.15 115.64 106.46 1x9l s THR 4 Ca 0.00 -0.89 0.02 0.00 -1.18 0.00 0.00 61.69 59.65 1x9l s THR 4 Cb 0.00 -0.92 0.06 0.00 1.34 0.00 0.00 72.50 72.99 1x9l s THR 4 CO 0.00 -0.49 -0.08 -0.32 -0.54 0.00 0.00 174.62 173.19 1x9l s MET 5 N -2.59 1.98 0.88 3.99 -2.45 -1.26 -5.13 119.30 114.72 1x9l s MET 5 Ca -0.05 -1.31 -0.13 0.00 -1.25 0.00 0.00 55.69 52.95 1x9l s MET 5 Cb -0.01 -2.83 0.13 0.00 1.25 0.00 0.00 34.83 33.37 1x9l s MET 5 CO -0.04 -0.62 1.20 -1.25 1.05 0.00 0.00 175.02 175.35 1x9l s PRO 6 N 1.16 1.37 0.10 4.11 0.04 -1.26 -5.11 135.00 135.41 1x9l s PRO 6 Ca -0.06 0.04 -0.24 0.00 0.04 0.00 0.00 61.00 60.78 1x9l s PRO 6 Cb -0.20 -1.89 0.07 0.00 0.04 0.00 0.00 34.50 32.52 1x9l s PRO 6 CO -0.06 -1.99 0.60 0.00 0.04 0.00 0.00 177.00 175.59 1x9l s ALA 7 N -3.55 -1.58 0.36 8.56 0.00 -1.26 -5.19 121.76 119.10 1x9l s ALA 7 Ca 0.65 0.67 -0.11 0.00 0.00 0.00 0.00 51.96 53.17 1x9l s ALA 7 Cb -0.10 0.62 0.03 0.00 0.00 0.00 0.00 23.12 23.67 1x9l s ALA 7 CO 0.51 -0.64 0.65 -1.01 0.00 0.00 0.00 175.76 175.27 1x9l s HIS 8 N -3.02 0.49 -0.03 0.00 3.76 -1.26 -5.19 115.29 110.04 1x9l s HIS 8 Ca -0.02 -0.97 -0.09 0.00 -0.15 0.00 0.00 55.06 53.83 1x9l s HIS 8 Cb -0.01 0.45 0.01 0.00 1.11 0.00 0.00 32.58 34.15 1x9l s HIS 8 CO -0.06 -1.37 0.19 -0.08 -0.85 0.00 0.00 174.74 172.57 1x9l s THR 9 N -2.72 0.05 0.84 1.30 -1.32 -1.26 -5.16 115.64 107.37 1x9l s THR 9 Ca 0.21 -0.43 -0.11 0.00 -1.21 0.00 0.00 61.69 60.15 1x9l s THR 9 Cb -0.03 -0.43 0.09 0.00 -1.51 0.00 0.00 72.50 70.62 1x9l s THR 9 CO 0.15 -0.24 1.09 -2.16 -2.21 0.00 0.00 174.62 171.25 1x9l s PRO 10 N -0.90 1.76 0.14 7.08 0.04 -1.26 -5.10 135.00 136.76 1x9l s PRO 10 Ca -0.10 0.75 -0.02 0.00 0.04 0.00 0.00 61.00 61.67 1x9l s PRO 10 Cb -0.05 -1.87 0.03 0.00 0.04 0.00 0.00 34.50 32.65 1x9l s PRO 10 CO 0.02 -1.87 0.19 -0.35 0.04 0.00 0.00 177.00 175.02 1x9l n PRO 11 N -3.62 -0.16 -3.68 0.56 -0.04 -1.26 -5.14 135.00 121.65 1x9l n PRO 11 Ca 0.07 -0.30 -0.10 0.00 -0.04 0.00 0.00 63.50 63.13 1x9l n PRO 11 Cb 0.56 -0.19 -0.05 0.00 -0.04 0.00 0.00 33.50 33.77 1x9l n PRO 11 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1x9l s ALA 12 N -3.95 -0.81 0.11 0.55 0.00 -1.26 -5.19 121.76 111.21 1x9l s ALA 12 Ca 0.11 -0.17 -0.09 0.00 0.00 0.00 0.00 51.96 51.81 1x9l s ALA 12 Cb -0.00 0.70 -0.00 0.00 0.00 0.00 0.00 23.12 23.81 1x9l s ALA 12 CO 0.08 -0.65 0.22 -0.65 0.00 0.00 0.00 175.76 174.76 1x9l s GLN 13 N -3.83 0.94 -0.03 0.00 -0.21 -1.26 -5.18 119.66 110.09 1x9l s GLN 13 Ca 0.05 -1.01 -0.01 0.00 0.02 0.00 0.00 55.36 54.41 1x9l s GLN 13 Cb 0.02 0.36 0.03 0.00 1.00 0.00 0.00 33.01 34.41 1x9l s GLN 13 CO -0.10 -0.31 0.05 0.99 -2.12 0.00 0.00 175.29 173.79 1x9l s THR 14 N -3.89 -0.05 -0.28 -0.19 2.01 -1.26 -5.14 115.64 106.84 1x9l s THR 14 Ca 0.08 0.17 -0.10 0.00 0.31 0.00 0.00 61.69 62.15 1x9l s THR 14 Cb 0.04 -0.10 -0.04 0.00 0.01 0.00 0.00 72.50 72.41 1x9l s THR 14 CO -0.08 0.07 0.16 0.00 -0.69 0.00 0.00 174.62 174.08 1x9l s ALA 15 N 0.89 3.41 1.00 7.40 0.00 -1.26 -5.11 121.76 128.09 1x9l s ALA 15 Ca -0.07 -1.15 0.00 0.00 0.00 0.00 0.00 51.96 50.74 1x9l s ALA 15 Cb -0.10 -2.39 0.00 0.00 0.00 0.00 0.00 23.12 20.63 1x9l s ALA 15 CO -0.03 -0.60 0.00 -0.35 0.00 0.00 0.00 175.76 174.78 1x9l n PRO 16 N 5.02 -0.12 -3.51 0.00 -0.04 -1.26 -5.13 135.00 129.97 1x9l n PRO 16 Ca -0.14 0.00 -0.12 0.00 -0.04 0.00 0.00 63.50 63.20 1x9l n PRO 16 Cb 0.51 0.00 -0.04 0.00 -0.04 0.00 0.00 33.50 33.94 1x9l n PRO 16 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1x9l s ALA 17 N -3.39 -1.80 0.05 0.55 0.00 -1.26 -5.19 121.76 110.72 1x9l s ALA 17 Ca 0.00 1.16 -0.08 0.00 0.00 0.00 0.00 51.96 53.04 1x9l s ALA 17 Cb 0.00 0.08 -0.00 0.00 0.00 0.00 0.00 23.12 23.20 1x9l s ALA 17 CO 0.00 -0.52 0.16 0.00 0.00 0.00 0.00 175.76 175.40 1x9l s ALA 18 N -2.19 -0.21 0.07 0.00 0.00 -1.26 -4.84 121.76 113.33 1x9l s ALA 18 Ca -0.02 -0.47 -0.10 0.00 0.00 0.00 0.00 51.96 51.37 1x9l s ALA 18 Cb -0.01 0.32 0.00 0.00 0.00 0.00 0.00 23.12 23.44 1x9l s ALA 18 CO -0.02 -0.39 0.21 -0.65 0.00 0.00 0.00 175.76 174.91 1x9l s GLN 19 N -2.97 0.81 0.38 0.00 -0.21 -1.26 -5.05 119.66 111.36 1x9l s GLN 19 Ca -0.02 -0.80 -0.26 0.00 0.02 0.00 0.00 55.36 54.30 1x9l s GLN 19 Cb 0.01 0.33 -0.09 0.00 1.00 0.00 0.00 33.01 34.26 1x9l s GLN 19 CO -0.06 -0.25 1.18 0.21 -2.12 0.00 0.00 175.29 174.24 1x9l s LYS 20 N -3.34 4.14 0.79 2.91 2.20 -1.26 -5.00 119.74 120.18 1x9l s LYS 20 Ca 0.01 1.87 -0.12 0.00 -0.36 0.00 0.00 55.97 57.37 1x9l s LYS 20 Cb 0.02 -2.76 0.07 0.00 -1.51 0.00 0.00 37.83 33.66 1x9l s LYS 20 CO -0.08 -0.26 1.15 0.00 -0.36 0.00 0.00 175.35 175.80 1x9l s ALA 21 N -1.36 1.97 0.36 3.13 0.00 -1.26 -5.06 121.76 119.53 1x9l s ALA 21 Ca 0.55 0.61 0.00 0.00 0.00 0.00 0.00 51.96 53.12 1x9l s ALA 21 Cb -0.32 -3.40 0.00 0.00 0.00 0.00 0.00 23.12 19.40 1x9l s ALA 21 CO 0.40 -2.08 0.00 0.41 0.00 0.00 0.00 175.76 174.49 1x9l n GLY 22 N -0.14 0.68 2.67 0.00 0.00 -1.26 -4.82 105.19 102.33 1x9l n GLY 22 Ca 0.12 -1.37 -0.36 0.00 0.00 0.00 0.00 46.02 44.41 1x9l n GLY 22 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1x9l n ALA 23 N -3.00 5.29 -3.90 4.61 0.00 -1.26 -4.62 120.51 117.62 1x9l n ALA 23 Ca 0.00 -3.09 -0.32 0.00 0.00 0.00 0.00 53.44 50.02 1x9l n ALA 23 Cb 0.00 -3.36 0.01 0.00 0.00 0.00 0.00 19.45 16.10 1x9l n ALA 23 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.50 178.44 1x9l n GLN 24 N 5.11 -1.09 -3.86 0.00 7.27 -1.26 -4.97 117.38 118.57 1x9l n GLN 24 Ca 0.56 0.51 -0.09 0.00 0.07 0.00 0.00 57.00 58.05 1x9l n GLN 24 Cb 0.28 -2.27 -0.04 0.00 2.41 0.00 0.00 30.24 30.61 1x9l n GLN 24 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 1x9l s ALA 25 N -3.17 -0.62 0.05 1.69 0.00 -1.26 -5.19 121.76 113.25 1x9l s ALA 25 Ca 0.16 -0.53 0.00 0.00 0.00 0.00 0.00 51.96 51.60 1x9l s ALA 25 Cb -0.09 0.92 -0.03 0.00 0.00 0.00 0.00 23.12 23.92 1x9l s ALA 25 CO 0.92 -0.83 -0.04 -0.48 0.00 0.00 0.00 175.76 175.33 1x9l s LEU 26 N -2.94 2.38 0.00 0.00 -0.00 -1.26 -4.75 118.68 112.11 1x9l s LEU 26 Ca 0.15 -0.78 0.00 0.00 -0.00 0.00 0.00 54.13 53.49 1x9l s LEU 26 Cb -0.01 0.08 0.00 0.00 -0.00 0.00 0.00 46.19 46.26 1x9l s LEU 26 CO 0.02 -0.43 0.00 -0.81 -0.00 0.00 0.00 176.35 175.13 1x9l n PRO 27 N 0.73 0.00 -2.70 1.48 -0.04 -1.26 -4.71 135.00 128.51 1x9l n PRO 27 Ca -0.18 0.00 -0.07 0.00 -0.04 0.00 0.00 63.50 63.21 1x9l n PRO 27 Cb 0.58 -0.18 0.04 0.00 -0.04 0.00 0.00 33.50 33.90 1x9l n PRO 27 CO 0.00 0.00 0.00 1.33 -0.04 0.00 0.00 175.50 176.79 1x9l n VAL 28 N -0.29 1.02 -2.97 0.52 0.24 -1.26 -1.18 118.33 114.41 1x9l n VAL 28 Ca 0.00 -2.99 -0.07 0.00 -2.04 0.00 0.00 64.34 59.25 1x9l n VAL 28 Cb 0.00 0.80 -0.01 0.00 -1.47 0.00 0.00 33.84 33.16 1x9l n VAL 28 CO 0.00 0.00 0.00 0.42 -2.14 0.00 0.00 176.83 175.11 1x9l s THR 29 N -3.18 -0.79 -0.36 3.34 -4.23 -1.16 -4.30 115.64 104.97 1x9l s THR 29 Ca 0.27 -1.00 0.14 0.00 -1.18 0.00 0.00 61.69 59.92 1x9l s THR 29 Cb 0.43 -0.20 0.39 0.00 1.34 0.00 0.00 72.50 74.46 1x9l s THR 29 CO 0.02 -0.19 0.87 0.55 -0.54 0.00 0.00 174.62 175.33 1x9l n VAL 30 N 3.31 0.27 -2.91 2.29 3.14 -1.26 -4.99 118.33 118.18 1x9l n VAL 30 Ca 0.18 -3.67 -0.41 0.00 -2.96 0.00 0.00 64.34 57.48 1x9l n VAL 30 Cb 0.54 0.26 -0.04 0.00 -1.06 0.00 0.00 33.84 33.54 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 -2.36 4.49 0.16 1.45 0.74 -1.26 -4.82 119.66 118.06 1x9l s GLN 31 Ca 0.33 1.10 -0.09 0.00 0.05 0.00 0.00 55.36 56.76 1x9l s GLN 31 Cb 0.39 -3.45 0.02 0.00 1.10 0.00 0.00 33.01 31.06 1x9l s GLN 31 CO -0.04 0.01 1.50 0.78 -0.55 0.00 0.00 175.29 177.00 1x9l h GLY 32 N 6.79 0.94 -3.16 2.59 0.00 -1.92 -3.46 103.07 104.86 1x9l h GLY 32 Ca -0.41 -0.95 0.00 0.00 0.00 0.00 0.00 47.33 45.97 1x9l h GLY 32 CO 0.75 0.86 -0.56 0.00 0.00 0.00 0.00 176.54 177.59 1x9l n ALA 33 N -2.54 -2.44 -3.85 3.60 0.00 -1.26 -3.85 120.51 110.18 1x9l n ALA 33 Ca -0.02 0.28 -0.33 0.00 0.00 0.00 0.00 53.44 53.37 1x9l n ALA 33 Cb 0.54 -0.99 -0.12 0.00 0.00 0.00 0.00 19.45 18.87 1x9l n ALA 33 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 1x9l s THR 34 N -0.32 3.09 -0.17 0.00 -4.23 -1.26 -0.46 115.64 112.30 1x9l s THR 34 Ca 0.00 -2.98 -0.26 0.00 -1.18 0.00 0.00 61.69 57.26 1x9l s THR 34 Cb 0.00 -3.09 -0.01 0.00 1.34 0.00 0.00 72.50 70.74 1x9l s THR 34 CO 0.00 -0.81 0.87 -0.69 -0.54 0.00 0.00 174.62 173.46 1x9l s VAL 35 N 0.02 4.85 0.00 2.29 1.01 0.55 -2.37 120.40 126.75 1x9l s VAL 35 Ca 0.16 1.72 -0.02 0.00 0.00 0.00 0.00 61.98 63.84 1x9l s VAL 35 Cb -0.23 -4.17 -0.07 0.00 0.00 0.00 0.00 36.38 31.91 1x9l s VAL 35 CO -0.02 0.00 2.35 0.00 0.00 0.00 0.00 175.10 177.43 1x9l n ALA 36 N 5.32 4.51 -0.13 5.51 0.00 -0.79 -0.54 120.51 134.39 1x9l n ALA 36 Ca 0.06 -0.51 0.00 0.00 0.00 0.00 0.00 53.44 52.99 1x9l n ALA 36 Cb 0.48 -1.42 0.00 0.00 0.00 0.00 0.00 19.45 18.51 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 1.82 0.00 -2.79 0.00 0.00 -1.26 -3.05 120.51 115.22 1x9l n ALA 37 Ca 0.12 0.00 -0.40 0.00 0.00 0.00 0.00 53.44 53.15 1x9l n ALA 37 Cb 0.59 0.00 -0.11 0.00 0.00 0.00 0.00 19.45 19.93 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 4.64 1.12 0.00 1.01 -1.26 -4.67 120.40 121.24 1x9l s VAL 38 Ca 0.00 -0.80 -0.15 0.00 0.00 0.00 0.00 61.98 61.04 1x9l s VAL 38 Cb 0.00 -3.57 0.25 0.00 0.00 0.00 0.00 36.38 33.07 1x9l s VAL 38 CO 0.00 -0.21 1.06 -2.84 0.00 0.00 0.00 175.10 173.11 1x9l s PRO 39 N 1.57 -0.59 -1.18 2.72 0.02 -1.17 -4.88 135.00 131.50 1x9l s PRO 39 Ca 0.02 0.44 -0.07 0.00 0.02 0.00 0.00 61.00 61.41 1x9l s PRO 39 Cb -0.19 -1.63 -0.07 0.00 0.02 0.00 0.00 34.50 32.63 1x9l s PRO 39 CO 0.07 -3.40 2.49 -0.35 -0.33 0.00 0.00 177.00 175.49 1x9l n PRO 40 N -4.63 2.73 -2.70 5.54 -0.04 -1.26 -4.08 135.00 130.57 1x9l n PRO 40 Ca 0.06 -1.74 -0.07 0.00 -0.04 0.00 0.00 63.50 61.71 1x9l n PRO 40 Cb 0.57 -2.57 0.11 0.00 -0.04 0.00 0.00 33.50 31.57 1x9l n PRO 40 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 1x9l n SER 41 N 3.88 -1.58 -1.01 3.54 3.41 -1.26 -5.15 113.62 115.45 1x9l n SER 41 Ca 0.58 -2.59 0.13 0.00 -0.26 0.00 0.00 58.87 56.74 1x9l n SER 41 Cb 0.19 0.92 -0.04 0.00 -0.26 0.00 0.00 64.21 65.02 1x9l n SER 41 CO 0.00 0.00 0.00 -0.38 -0.16 0.00 0.00 175.04 174.50 1x9l n ILE 42 N -0.46 0.00 0.45 -1.33 2.08 -1.26 -4.11 119.36 114.73 1x9l n ILE 42 Ca -0.01 0.19 0.00 0.00 0.56 0.00 0.00 62.75 63.49 1x9l n ILE 42 Cb 0.83 -0.53 0.00 0.00 -0.75 0.00 0.00 39.64 39.19 1x9l n ILE 42 CO 0.00 0.00 0.00 -1.14 0.56 0.00 0.00 176.55 175.97 1x9l n ARG 43 N -3.54 0.45 -3.44 0.38 3.00 -1.26 -4.55 116.66 107.70 1x9l n ARG 43 Ca -0.01 0.00 -0.26 0.00 -0.00 0.00 0.00 57.85 57.58 1x9l n ARG 43 Cb 0.46 -1.24 -0.02 0.00 0.00 0.00 0.00 32.46 31.66 1x9l n ARG 43 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 177.63 177.79 1x9l s ASP 44 N -0.11 6.35 0.09 6.15 1.47 -1.26 -0.35 116.67 129.01 1x9l s ASP 44 Ca 0.00 0.50 -0.25 0.00 1.18 0.00 0.00 52.55 53.98 1x9l s ASP 44 Cb 0.00 -2.05 0.09 0.00 -0.34 0.00 0.00 42.92 40.61 1x9l s ASP 44 CO 0.00 -0.22 1.16 0.28 0.68 0.00 0.00 175.17 177.08 1x9l s THR 45 N -2.17 0.00 0.30 2.11 -1.32 -1.26 -4.32 115.64 108.99 1x9l s THR 45 Ca 0.40 -0.37 -0.15 0.00 -1.21 0.00 0.00 61.69 60.36 1x9l s THR 45 Cb -0.10 -2.97 0.02 0.00 -1.51 0.00 0.00 72.50 67.93 1x9l s THR 45 CO 0.33 0.00 0.63 0.00 -2.21 0.00 0.00 174.62 173.37 1x9l s ALA 46 N -2.05 -0.54 0.34 11.08 0.00 -1.26 -1.64 121.76 127.69 1x9l s ALA 46 Ca 0.26 -0.75 -0.17 0.00 0.00 0.00 0.00 51.96 51.30 1x9l s ALA 46 Cb -0.02 0.91 -0.09 0.00 0.00 0.00 0.00 23.12 23.92 1x9l s ALA 46 CO 0.03 -0.94 0.80 0.00 0.00 0.00 0.00 175.76 175.64 1x9l s ALA 47 N -3.44 3.26 -0.50 0.00 0.00 -0.97 -1.89 121.76 118.22 1x9l s ALA 47 Ca 0.18 0.16 0.07 0.00 0.00 0.00 0.00 51.96 52.37 1x9l s ALA 47 Cb -0.03 -2.88 0.24 0.00 0.00 0.00 0.00 23.12 20.44 1x9l s ALA 47 CO 0.10 0.28 0.60 0.66 0.00 0.00 0.00 175.76 177.40 1x9l n TYR 48 N -0.29 1.34 -3.63 0.00 4.02 -1.00 -4.21 117.16 113.39 1x9l n TYR 48 Ca 0.04 -3.81 -0.05 0.00 -0.01 0.00 0.00 57.90 54.06 1x9l n TYR 48 Cb 0.53 -0.41 -0.00 0.00 -0.02 0.00 0.00 39.34 39.44 1x9l n TYR 48 CO 0.00 0.00 0.00 -1.33 -1.01 0.00 0.00 176.86 174.52 1x9l n MET 49 N 1.30 0.35 -4.94 -0.72 2.81 -0.14 -4.10 117.12 111.69 1x9l n MET 49 Ca 0.25 -1.09 -0.27 0.00 -1.81 0.00 0.00 57.70 54.78 1x9l n MET 49 Cb 0.47 1.14 -0.15 0.00 -0.71 0.00 0.00 33.22 33.97 1x9l n MET 49 CO 0.00 0.00 0.00 0.95 1.51 0.00 0.00 175.97 178.43 1x9l s THR 50 N -2.61 1.67 0.35 2.03 -4.23 -1.26 0.29 115.64 111.89 1x9l s THR 50 Ca 0.10 -0.98 -0.16 0.00 -1.18 0.00 0.00 61.69 59.47 1x9l s THR 50 Cb -0.01 -1.40 -0.09 0.00 1.34 0.00 0.00 72.50 72.33 1x9l s THR 50 CO 0.07 0.40 0.79 -0.22 -0.54 0.00 0.00 174.62 175.12 1x9l s LEU 51 N -0.67 4.02 -0.07 4.79 2.96 -0.17 -4.22 118.68 125.32 1x9l s LEU 51 Ca 0.08 1.37 -0.03 0.00 -0.22 0.00 0.00 54.13 55.33 1x9l s LEU 51 Cb -0.08 -4.18 0.04 0.00 0.50 0.00 0.00 46.19 42.46 1x9l s LEU 51 CO -0.00 -0.25 0.08 -0.89 -1.32 0.00 0.00 176.35 173.97 1x9l s THR 52 N -2.05 -0.13 0.09 3.68 2.01 -1.26 -2.02 115.64 115.97 1x9l s THR 52 Ca 0.56 0.31 -0.30 0.00 0.31 0.00 0.00 61.69 62.57 1x9l s THR 52 Cb -0.10 -0.25 -0.05 0.00 0.01 0.00 0.00 72.50 72.11 1x9l s THR 52 CO 0.17 0.09 1.03 0.21 -0.69 0.00 0.00 174.62 175.43 1x9l s ASN 53 N 2.18 7.36 -0.39 3.53 3.84 -0.59 -2.96 114.94 127.90 1x9l s ASN 53 Ca 0.04 1.85 0.12 0.00 0.21 0.00 0.00 52.86 55.08 1x9l s ASN 53 Cb -0.13 -2.59 0.36 0.00 -0.55 0.00 0.00 41.25 38.35 1x9l s ASN 53 CO -0.04 -0.21 0.80 0.29 -2.79 0.00 0.00 177.10 175.14 1x9l n LYS 54 N 3.18 1.36 0.00 0.43 5.02 -0.33 -4.83 118.16 123.00 1x9l n LYS 54 Ca 0.04 -3.60 0.00 0.00 -2.02 0.00 0.00 58.31 52.74 1x9l n LYS 54 Cb 0.49 -1.74 0.00 0.00 -0.02 0.00 0.00 35.03 33.76 1x9l n LYS 54 CO 0.00 0.00 0.00 -1.13 -0.52 0.00 0.00 177.40 175.75 1x9l n SER 55 N 0.15 0.00 -2.61 4.39 3.41 -1.23 -4.66 113.62 113.07 1x9l n SER 55 Ca 0.24 0.00 -0.10 0.00 -0.26 0.00 0.00 58.87 58.75 1x9l n SER 55 Cb 0.64 0.28 0.05 0.00 -0.26 0.00 0.00 64.21 64.92 1x9l n SER 55 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 1x9l n ASP 56 N -2.07 -3.50 -4.17 4.04 8.00 -1.26 -5.00 116.55 112.60 1x9l n ASP 56 Ca 0.00 -0.43 -0.17 0.00 0.71 0.00 0.00 54.79 54.89 1x9l n ASP 56 Cb 0.00 -3.54 -0.12 0.00 -0.02 0.00 0.00 41.12 37.45 1x9l n ASP 56 CO 0.00 0.00 0.00 -1.10 -0.39 0.00 0.00 177.20 175.71 1x9l s GLN 57 N -4.40 0.81 -1.12 -1.24 1.11 -1.26 -4.66 119.66 108.90 1x9l s GLN 57 Ca 0.15 -0.98 -0.21 0.00 0.01 0.00 0.00 55.36 54.32 1x9l s GLN 57 Cb -0.02 -0.76 0.05 0.00 -1.01 0.00 0.00 33.01 31.27 1x9l s GLN 57 CO 0.48 0.16 1.59 -1.25 0.01 0.00 0.00 175.29 176.28 1x9l s PRO 58 N -1.90 3.64 -0.23 2.91 0.04 -1.26 -2.86 135.00 135.34 1x9l s PRO 58 Ca -0.01 -1.38 -0.05 0.00 0.04 0.00 0.00 61.00 59.60 1x9l s PRO 58 Cb -0.09 -5.40 -0.01 0.00 0.04 0.00 0.00 34.50 29.04 1x9l s PRO 58 CO 0.02 -2.34 -0.00 0.42 0.04 0.00 0.00 177.00 175.13 1x9l s ILE 59 N 5.17 3.66 0.37 0.56 1.01 -1.15 -4.88 121.20 125.94 1x9l s ILE 59 Ca 0.51 -0.42 -0.16 0.00 0.00 0.00 0.00 60.65 60.57 1x9l s ILE 59 Cb 0.01 -2.70 -0.09 0.00 0.01 0.00 0.00 42.46 39.69 1x9l s ILE 59 CO -0.03 0.37 0.81 -1.59 0.00 0.00 0.00 174.94 174.51 1x9l s LYS 60 N 1.52 4.04 0.02 2.79 -2.85 -1.26 -4.11 119.74 119.89 1x9l s LYS 60 Ca 0.06 0.79 0.05 0.00 -1.00 0.00 0.00 55.97 55.87 1x9l s LYS 60 Cb -0.15 -2.34 -0.02 0.00 -2.06 0.00 0.00 37.83 33.27 1x9l s LYS 60 CO -0.01 0.06 -0.15 -0.48 0.10 0.00 0.00 175.35 174.88 1x9l s LEU 61 N -3.18 2.11 -0.41 2.77 -0.00 -1.24 -4.74 118.68 113.99 1x9l s LEU 61 Ca 0.56 -0.38 0.10 0.00 -0.00 0.00 0.00 54.13 54.41 1x9l s LEU 61 Cb -0.10 -0.69 0.36 0.00 -0.00 0.00 0.00 46.19 45.77 1x9l s LEU 61 CO 0.18 0.10 1.03 0.55 -0.00 0.00 0.00 176.35 178.21 1x9l n VAL 62 N 2.22 0.08 -3.57 1.48 3.14 -1.26 -4.15 118.33 116.27 1x9l n VAL 62 Ca -0.16 -2.60 -0.16 0.00 -2.96 0.00 0.00 64.34 58.46 1x9l n VAL 62 Cb 0.55 0.79 -0.06 0.00 -1.06 0.00 0.00 33.84 34.06 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 -1.83 -0.56 -0.47 7.55 0.00 -1.24 -4.57 107.32 106.19 1x9l s GLY 63 Ca 0.28 1.63 0.06 0.00 0.00 0.00 0.00 44.72 46.70 1x9l s GLY 63 CO -0.05 1.30 0.83 0.00 0.00 0.00 0.00 173.10 175.18 1x9l n ALA 64 N 1.68 -0.64 -2.60 3.20 0.00 -1.26 -4.26 120.51 116.62 1x9l n ALA 64 Ca -0.17 -1.79 -0.43 0.00 0.00 0.00 0.00 53.44 51.05 1x9l n ALA 64 Cb 0.56 -1.23 -0.03 0.00 0.00 0.00 0.00 19.45 18.75 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 0.30 3.13 0.06 0.00 0.00 0.80 -4.79 121.76 121.26 1x9l s ALA 65 Ca 0.32 -0.92 0.07 0.00 0.00 0.00 0.00 51.96 51.43 1x9l s ALA 65 Cb 0.22 -3.82 -0.03 0.00 0.00 0.00 0.00 23.12 19.50 1x9l s ALA 65 CO -0.21 -2.37 -0.20 -0.08 0.00 0.00 0.00 175.76 172.89 1x9l s THR 66 N 4.25 1.63 -0.82 0.00 -1.32 -1.26 -0.57 115.64 117.54 1x9l s THR 66 Ca 0.38 -1.28 0.24 0.00 -1.21 0.00 0.00 61.69 59.82 1x9l s THR 66 Cb -0.10 -1.44 0.23 0.00 -1.51 0.00 0.00 72.50 69.68 1x9l s THR 66 CO 0.24 0.11 1.75 -0.81 -2.21 0.00 0.00 174.62 173.71 1x9l n PRO 67 N 1.64 0.11 -0.06 7.08 -0.04 -1.26 -4.22 135.00 138.25 1x9l n PRO 67 Ca -0.18 0.19 -0.04 0.00 -0.04 0.00 0.00 63.50 63.43 1x9l n PRO 67 Cb 0.53 -1.66 -0.04 0.00 -0.04 0.00 0.00 33.50 32.30 1x9l n PRO 67 CO 0.00 0.00 0.00 1.25 -0.04 0.00 0.00 175.50 176.71 1x9l h LEU 68 N 0.00 0.00 -9.42 1.53 5.85 -1.92 -3.28 115.31 108.07 1x9l h LEU 68 Ca 0.00 -0.26 -0.67 0.00 0.84 0.00 0.00 57.88 57.78 1x9l h LEU 68 Cb 0.49 0.00 -0.12 0.00 0.37 0.00 0.00 40.66 41.41 1x9l h LEU 68 CO 0.00 0.67 -0.56 0.00 -0.34 0.00 0.00 178.44 178.21 1x9l s ALA 69 N -2.48 3.53 0.04 1.25 0.00 -1.26 -0.62 121.76 122.23 1x9l s ALA 69 Ca -0.06 -0.74 -0.17 0.00 0.00 0.00 0.00 51.96 50.99 1x9l s ALA 69 Cb -0.00 -1.70 -0.23 0.00 0.00 0.00 0.00 23.12 21.19 1x9l s ALA 69 CO 0.20 0.59 1.15 1.15 0.00 0.00 0.00 175.76 178.85 1x9l h THR 70 N 4.11 1.35 -3.03 0.00 2.02 -0.16 -3.43 112.91 113.77 1x9l h THR 70 Ca -0.52 -2.16 -0.62 0.00 0.77 0.00 0.00 66.41 63.88 1x9l h THR 70 Cb 1.21 2.48 -0.41 0.00 -1.74 0.00 0.00 68.15 69.68 1x9l h THR 70 CO 0.56 0.65 -0.64 -0.55 0.37 0.00 0.00 175.52 175.92 1x9l s SER 71 N -7.03 4.29 -1.08 4.18 0.15 0.33 -5.02 113.70 109.53 1x9l s SER 71 Ca -0.11 -3.59 -0.19 0.00 0.70 0.00 0.00 55.95 52.75 1x9l s SER 71 Cb 0.05 -1.46 0.10 0.00 -1.71 0.00 0.00 66.02 63.01 1x9l s SER 71 CO 0.87 -0.12 1.39 -2.16 1.20 0.00 0.00 173.24 174.42 1x9l s PRO 72 N -1.04 3.76 -0.09 5.44 0.04 -1.26 -0.87 135.00 140.98 1x9l s PRO 72 Ca 0.24 -1.77 -0.25 0.00 0.04 0.00 0.00 61.00 59.26 1x9l s PRO 72 Cb -0.07 -5.19 -0.03 0.00 0.04 0.00 0.00 34.50 29.25 1x9l s PRO 72 CO -0.14 -1.99 0.80 -1.64 0.04 0.00 0.00 177.00 174.07 1x9l s MET 73 N 3.43 4.41 0.22 4.56 -1.94 0.04 -4.84 119.30 125.17 1x9l s MET 73 Ca 0.42 1.03 -0.25 0.00 -1.71 0.00 0.00 55.69 55.18 1x9l s MET 73 Cb -0.01 -3.50 -0.09 0.00 2.01 0.00 0.00 34.83 33.24 1x9l s MET 73 CO -0.05 -0.10 0.82 -0.51 -0.01 0.00 0.00 175.02 175.17 1x9l s LEU 74 N 1.35 4.51 0.08 -0.03 1.43 -1.26 0.23 118.68 124.98 1x9l s LEU 74 Ca 0.40 1.68 -0.12 0.00 -1.03 0.00 0.00 54.13 55.07 1x9l s LEU 74 Cb -0.18 -3.52 0.01 0.00 0.03 0.00 0.00 46.19 42.53 1x9l s LEU 74 CO 0.18 0.12 0.26 -0.32 0.23 0.00 0.00 176.35 176.82 1x9l s MET 75 N -1.47 0.85 -0.28 1.70 1.75 0.52 -4.33 119.30 118.04 1x9l s MET 75 Ca 0.40 -0.74 0.02 0.00 -1.25 0.00 0.00 55.69 54.12 1x9l s MET 75 Cb -0.22 0.36 0.17 0.00 2.84 0.00 0.00 34.83 37.99 1x9l s MET 75 CO 0.26 -0.28 0.48 -0.08 -0.65 0.00 0.00 175.02 174.74 1x9l s THR 76 N -3.31 -0.77 -0.38 10.11 -1.32 -1.26 -0.53 115.64 118.17 1x9l s THR 76 Ca 0.00 -0.15 0.11 0.00 -1.21 0.00 0.00 61.69 60.45 1x9l s THR 76 Cb 0.02 -0.97 0.39 0.00 -1.51 0.00 0.00 72.50 70.43 1x9l s THR 76 CO -0.08 -0.15 1.08 1.07 -2.21 0.00 0.00 174.62 174.32 1x9l n THR 77 N 5.38 0.25 -3.89 5.08 5.66 -0.96 -2.18 114.28 123.61 1x9l n THR 77 Ca 0.01 -2.52 -0.34 0.00 -3.05 0.00 0.00 64.05 58.15 1x9l n THR 77 Cb 0.51 0.78 -0.13 0.00 -1.55 0.00 0.00 70.33 69.93 1x9l n THR 77 CO 0.00 0.00 0.00 -0.89 -3.05 0.00 0.00 175.07 171.13 1x9l s THR 78 N -1.22 2.83 0.28 1.09 2.01 0.56 -4.15 115.64 117.03 1x9l s THR 78 Ca 0.27 -2.15 -0.00 0.00 0.31 0.00 0.00 61.69 60.12 1x9l s THR 78 Cb 0.38 -2.98 0.29 0.00 0.01 0.00 0.00 72.50 70.21 1x9l s THR 78 CO -0.04 -0.62 1.66 0.45 -0.69 0.00 0.00 174.62 175.38 1x9l h HIS 79 N 7.86 0.33 -0.11 4.92 -0.00 -1.46 0.44 115.15 127.13 1x9l h HIS 79 Ca -0.10 0.05 -0.03 0.00 -0.00 0.00 0.00 60.37 60.30 1x9l h HIS 79 Cb 1.04 -0.01 -0.01 0.00 -0.00 0.00 0.00 27.41 28.42 1x9l h HIS 79 CO 0.52 -0.17 0.03 0.45 -0.00 0.00 0.00 177.93 178.76 1x9l n SER 80 N -5.20 2.16 0.06 2.45 2.88 -1.26 -4.51 113.62 110.21 1x9l n SER 80 Ca 0.19 -2.17 0.00 0.00 -1.33 0.00 0.00 58.87 55.56 1x9l n SER 80 Cb 0.61 -0.54 0.00 0.00 -0.75 0.00 0.00 64.21 63.54 1x9l n SER 80 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1x9l n GLY 81 N 0.15 -1.84 2.81 0.46 0.00 0.37 -4.95 105.19 102.19 1x9l n GLY 81 Ca 0.06 0.45 -0.30 0.00 0.00 0.00 0.00 46.02 46.23 1x9l n GLY 81 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1x9l s GLY 82 N -1.28 1.51 0.00 -0.02 0.00 0.13 -4.78 107.32 102.88 1x9l s GLY 82 Ca 0.00 -2.21 0.00 0.00 0.00 0.00 0.00 44.72 42.51 1x9l s GLY 82 CO 0.00 1.40 0.00 -0.13 0.00 0.00 0.00 173.10 174.37 1x9l n MET 83 N 4.26 0.00 -2.38 2.90 0.00 -1.23 -0.32 117.12 120.35 1x9l n MET 83 Ca 0.03 0.00 -0.02 0.00 0.00 0.00 0.00 57.70 57.70 1x9l n MET 83 Cb 0.39 0.00 0.10 0.00 0.00 0.00 0.00 33.22 33.71 1x9l n MET 83 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 1x9l n ALA 84 N 1.75 2.45 -3.15 -5.12 0.00 -1.23 -1.50 120.51 113.72 1x9l n ALA 84 Ca 0.00 -0.86 0.04 0.00 0.00 0.00 0.00 53.44 52.62 1x9l n ALA 84 Cb 0.00 -0.74 -0.01 0.00 0.00 0.00 0.00 19.45 18.71 1x9l n ALA 84 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 1x9l s GLY 85 N -0.99 -1.09 -0.77 0.00 0.00 -0.93 -4.95 107.32 98.59 1x9l s GLY 85 Ca 0.07 1.57 -0.07 0.00 0.00 0.00 0.00 44.72 46.29 1x9l s GLY 85 CO -0.10 3.52 2.96 -0.13 0.00 0.00 0.00 173.10 179.35 1x9l n MET 86 N 5.42 2.56 -4.05 2.90 1.56 -1.25 -4.37 117.12 119.88 1x9l n MET 86 Ca 0.01 -1.48 -0.23 0.00 -0.27 0.00 0.00 57.70 55.74 1x9l n MET 86 Cb 0.52 -2.35 -0.06 0.00 2.15 0.00 0.00 33.22 33.48 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 1.94 2.41 -1.43 2.12 -2.85 -1.26 -4.93 119.74 115.74 1x9l s LYS 87 Ca 0.60 -1.53 -0.13 0.00 -1.00 0.00 0.00 55.97 53.91 1x9l s LYS 87 Cb 0.21 -2.21 0.06 0.00 -2.06 0.00 0.00 37.83 33.84 1x9l s LYS 87 CO -0.03 0.09 2.18 -0.12 0.10 0.00 0.00 175.35 177.57 1x9l n MET 88 N -1.19 3.03 -0.56 1.78 0.00 -1.26 -4.52 117.12 114.39 1x9l n MET 88 Ca -0.03 -2.78 -0.29 0.00 -0.00 0.00 0.00 57.70 54.60 1x9l n MET 88 Cb 0.61 -3.21 0.22 0.00 0.00 0.00 0.00 33.22 30.85 1x9l n MET 88 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 175.97 176.11 1x9l s VAL 89 N 2.61 2.00 0.34 1.12 -7.23 -1.26 -4.94 120.40 113.04 1x9l s VAL 89 Ca 0.46 0.00 0.10 0.00 -1.81 0.00 0.00 61.98 60.74 1x9l s VAL 89 Cb 0.13 -2.00 0.33 0.00 0.56 0.00 0.00 36.38 35.40 1x9l s VAL 89 CO -0.07 -0.00 1.78 -0.65 -0.31 0.00 0.00 175.10 175.85 1x9l h PRO 90 N -2.35 0.60 0.00 4.82 0.11 -1.92 -3.44 132.00 129.82 1x9l h PRO 90 Ca -0.54 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.54 1x9l h PRO 90 Cb 1.30 -0.14 0.00 0.00 0.11 0.00 0.00 31.00 32.28 1x9l h PRO 90 CO 0.46 0.40 0.00 -2.67 -0.21 0.00 0.00 178.00 175.97 1x9l n TRP 91 N -4.72 0.00 -4.10 0.65 -0.00 -1.26 -4.80 117.44 103.21 1x9l n TRP 91 Ca 0.24 0.00 -0.33 0.00 -0.00 0.00 0.00 57.50 57.41 1x9l n TRP 91 Cb 0.67 0.00 -0.16 0.00 -0.00 0.00 0.00 31.31 31.83 1x9l n TRP 91 CO 0.00 0.00 0.00 -0.48 -0.00 0.00 0.00 177.69 177.21 1x9l s LEU 92 N 0.00 2.61 0.11 5.67 2.34 -1.26 -4.64 118.68 123.52 1x9l s LEU 92 Ca 0.00 -0.93 -0.26 0.00 0.06 0.00 0.00 54.13 53.00 1x9l s LEU 92 Cb 0.00 -1.49 -0.07 0.00 -0.56 0.00 0.00 46.19 44.07 1x9l s LEU 92 CO 0.00 -0.07 0.82 -0.89 -1.06 0.00 0.00 176.35 175.14 1x9l s THR 93 N 1.23 4.51 -0.00 5.48 2.01 -1.26 -3.73 115.64 123.88 1x9l s THR 93 Ca -0.00 1.77 0.03 0.00 0.31 0.00 0.00 61.69 63.80 1x9l s THR 93 Cb -0.16 -4.18 -0.01 0.00 0.01 0.00 0.00 72.50 68.17 1x9l s THR 93 CO -0.10 0.42 -0.10 0.27 -0.69 0.00 0.00 174.62 174.42 1x9l s ILE 94 N -0.51 0.82 0.83 1.82 -5.25 -1.26 -4.83 121.20 112.82 1x9l s ILE 94 Ca 0.39 -0.47 -0.14 0.00 -0.99 0.00 0.00 60.65 59.44 1x9l s ILE 94 Cb -0.22 -0.69 0.19 0.00 2.95 0.00 0.00 42.46 44.69 1x9l s ILE 94 CO 0.26 0.21 1.10 -0.81 -1.79 0.00 0.00 174.94 173.91 1x9l n PRO 95 N 2.76 -1.21 -1.59 0.37 -0.04 -1.26 -2.96 135.00 131.06 1x9l n PRO 95 Ca -0.14 -1.70 -0.45 0.00 -0.04 0.00 0.00 63.50 61.17 1x9l n PRO 95 Cb 0.56 -1.16 -0.02 0.00 -0.04 0.00 0.00 33.50 32.84 1x9l n PRO 95 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1x9l n ALA 96 N -3.78 -0.18 -1.40 0.55 0.00 -1.14 -0.32 120.51 114.24 1x9l n ALA 96 Ca -0.18 0.39 -0.14 0.00 0.00 0.00 0.00 53.44 53.51 1x9l n ALA 96 Cb 0.48 -2.03 -0.06 0.00 0.00 0.00 0.00 19.45 17.84 1x9l n ALA 96 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1x9l n ARG 97 N 0.80 -1.58 -1.80 0.00 5.12 -1.26 -4.88 116.66 113.06 1x9l n ARG 97 Ca 0.10 0.97 -0.33 0.00 -1.93 0.00 0.00 57.85 56.66 1x9l n ARG 97 Cb 0.32 -5.34 -0.04 0.00 -1.16 0.00 0.00 32.46 26.24 1x9l n ARG 97 CO 0.00 0.00 0.00 0.20 -1.93 0.00 0.00 177.63 175.90 1x9l s GLY 98 N -2.45 -0.18 -0.43 -0.13 0.00 0.57 -4.81 107.32 99.89 1x9l s GLY 98 Ca 0.00 -0.53 0.04 0.00 0.00 0.00 0.00 44.72 44.23 1x9l s GLY 98 CO 0.00 3.81 0.36 2.41 0.00 0.00 0.00 173.10 179.68 1x9l n THR 99 N 7.79 -1.01 -3.29 0.90 -1.04 -1.26 -1.55 114.28 114.83 1x9l n THR 99 Ca 0.32 -3.55 -0.16 0.00 -2.04 0.00 0.00 64.05 58.63 1x9l n THR 99 Cb 0.51 -1.70 0.03 0.00 -1.82 0.00 0.00 70.33 67.35 1x9l n THR 99 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1x9l n LEU 100 N 2.69 0.00 -3.91 -4.42 -0.00 -0.86 -4.86 117.00 105.64 1x9l n LEU 100 Ca 0.29 -1.90 -0.31 0.00 -0.00 0.00 0.00 56.01 54.09 1x9l n LEU 100 Cb 0.47 -0.21 -0.15 0.00 -0.00 0.00 0.00 43.42 43.53 1x9l n LEU 100 CO 0.10 -0.60 -0.33 -0.89 -0.00 0.00 0.00 177.39 175.67 1x9l s THR 101 N -1.73 1.78 -0.91 1.47 2.01 -1.26 -1.00 115.64 115.99 1x9l s THR 101 Ca 0.37 -2.04 -0.24 0.00 0.31 0.00 0.00 61.69 60.08 1x9l s THR 101 Cb -0.03 -2.32 0.04 0.00 0.01 0.00 0.00 72.50 70.20 1x9l s THR 101 CO 0.23 -0.64 1.39 -0.76 -0.69 0.00 0.00 174.62 174.16 1x9l s LEU 102 N 1.11 3.37 -0.02 4.42 1.02 0.15 -4.50 118.68 124.22 1x9l s LEU 102 Ca 0.11 -1.07 0.07 0.00 0.02 0.00 0.00 54.13 53.26 1x9l s LEU 102 Cb -0.19 -2.57 -0.02 0.00 0.02 0.00 0.00 46.19 43.44 1x9l s LEU 102 CO -0.14 -1.64 -0.24 -1.10 0.02 0.00 0.00 176.35 173.25 1x9l s GLN 103 N 5.28 2.17 0.65 1.70 -0.21 0.20 -0.97 119.66 128.48 1x9l s GLN 103 Ca 0.42 -0.89 0.33 0.00 0.02 0.00 0.00 55.36 55.24 1x9l s GLN 103 Cb -0.03 -2.10 1.81 0.00 1.00 0.00 0.00 33.01 33.69 1x9l s GLN 103 CO -0.01 0.57 2.05 -0.09 -2.12 0.00 0.00 175.29 175.70 1x9l h ARG 104 N 5.45 0.00 0.00 2.91 1.12 -1.78 -1.31 114.38 120.77 1x9l h ARG 104 Ca -0.44 0.00 0.00 0.00 -1.11 0.00 0.00 59.98 58.43 1x9l h ARG 104 Cb 1.13 0.00 0.00 0.00 -0.01 0.00 0.00 29.97 31.09 1x9l h ARG 104 CO 0.48 0.00 0.00 -0.40 -3.11 0.00 0.00 179.97 176.94 1x9l n ASP 105 N -3.13 0.00 -4.57 -3.80 5.75 -1.26 -4.87 116.55 104.67 1x9l n ASP 105 Ca -0.01 0.20 -0.43 0.00 -0.01 0.00 0.00 54.79 54.55 1x9l n ASP 105 Cb 0.32 -0.42 -0.00 0.00 -1.03 0.00 0.00 41.12 39.99 1x9l n ASP 105 CO 0.00 0.00 0.00 -0.83 -0.11 0.00 0.00 177.20 176.26 1x9l s GLY 106 N -2.27 1.64 0.36 6.12 0.00 -0.50 -4.42 107.32 108.26 1x9l s GLY 106 Ca 0.00 -2.88 0.00 0.00 0.00 0.00 0.00 44.72 41.84 1x9l s GLY 106 CO 0.00 2.69 0.00 1.34 0.00 0.00 0.00 173.10 177.13 1x9l n ASP 107 N 8.32 -7.87 -3.88 1.64 -0.08 -1.22 -3.08 116.55 110.38 1x9l n ASP 107 Ca 0.47 1.08 0.04 0.00 -1.51 0.00 0.00 54.79 54.87 1x9l n ASP 107 Cb 0.46 -3.94 0.01 0.00 2.34 0.00 0.00 41.12 40.00 1x9l n ASP 107 CO 0.00 0.00 0.00 -1.38 0.12 0.00 0.00 177.20 175.94 1x9l s HIS 108 N -2.33 0.01 -0.29 -0.67 -3.43 0.31 0.59 115.29 109.47 1x9l s HIS 108 Ca 0.00 -0.07 -0.08 0.00 -0.80 0.00 0.00 55.06 54.11 1x9l s HIS 108 Cb 0.00 0.53 -0.01 0.00 -1.43 0.00 0.00 32.58 31.68 1x9l s HIS 108 CO 0.00 -0.14 0.10 0.08 -2.00 0.00 0.00 174.74 172.78 1x9l s VAL 109 N -2.03 4.26 -0.77 -5.38 1.01 -1.26 -0.35 120.40 115.87 1x9l s VAL 109 Ca 0.29 -0.48 -0.25 0.00 0.00 0.00 0.00 61.98 61.53 1x9l s VAL 109 Cb 0.01 -3.14 0.04 0.00 0.00 0.00 0.00 36.38 33.29 1x9l s VAL 109 CO -0.02 0.14 1.24 -0.04 0.00 0.00 0.00 175.10 176.42 1x9l s MET 110 N 1.57 3.24 -1.43 2.72 -1.94 0.14 -2.29 119.30 121.30 1x9l s MET 110 Ca 0.04 -0.52 -0.12 0.00 -1.71 0.00 0.00 55.69 53.39 1x9l s MET 110 Cb -0.17 -4.38 0.06 0.00 2.01 0.00 0.00 34.83 32.35 1x9l s MET 110 CO 0.04 -2.09 2.28 1.28 -0.01 0.00 0.00 175.02 176.52 1x9l n LEU 111 N 8.92 7.24 -4.88 -0.03 4.77 -0.65 -0.78 117.00 131.59 1x9l n LEU 111 Ca 0.07 -4.36 -0.30 0.00 -0.03 0.00 0.00 56.01 51.39 1x9l n LEU 111 Cb 0.49 -1.57 -0.02 0.00 -2.33 0.00 0.00 43.42 39.99 1x9l n LEU 111 CO 0.68 1.42 0.53 -0.04 -1.33 0.00 0.00 177.39 178.65 1x9l s MET 112 N 1.99 3.71 -0.36 3.23 -1.94 -0.05 -4.21 119.30 121.66 1x9l s MET 112 Ca 0.50 0.52 -0.02 0.00 -1.71 0.00 0.00 55.69 54.98 1x9l s MET 112 Cb 0.14 -2.29 -0.02 0.00 2.01 0.00 0.00 34.83 34.67 1x9l s MET 112 CO -0.06 -0.22 0.32 0.41 -0.01 0.00 0.00 175.02 175.46 1x9l n GLY 113 N -1.87 0.13 3.72 -0.03 0.00 0.52 -0.52 105.19 107.15 1x9l n GLY 113 Ca 0.03 0.02 -0.42 0.00 0.00 0.00 0.00 46.02 45.66 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 -3.75 4.37 -0.11 0.99 1.02 -1.24 -0.22 118.68 119.74 1x9l s LEU 114 Ca 0.15 2.87 -0.13 0.00 0.02 0.00 0.00 54.13 57.03 1x9l s LEU 114 Cb -0.02 -3.60 -0.05 0.00 0.02 0.00 0.00 46.19 42.55 1x9l s LEU 114 CO 0.26 -0.97 -0.26 2.29 0.02 0.00 0.00 176.35 177.69 1x9l n LYS 115 N 4.01 0.39 -1.76 1.70 2.85 0.20 -4.87 118.16 120.69 1x9l n LYS 115 Ca 0.16 0.16 -0.40 0.00 -1.05 0.00 0.00 58.31 57.17 1x9l n LYS 115 Cb 0.35 -1.19 0.02 0.00 -0.65 0.00 0.00 35.03 33.56 1x9l n LYS 115 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 177.40 177.89 1x9l n ARG 116 N -4.20 2.27 -2.01 -1.58 3.00 -1.22 -4.95 116.66 107.97 1x9l n ARG 116 Ca -0.12 0.81 -0.42 0.00 -0.01 0.00 0.00 57.85 58.11 1x9l n ARG 116 Cb 0.40 -2.62 -0.03 0.00 0.00 0.00 0.00 32.46 30.22 1x9l n ARG 116 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.63 176.38 1x9l s PRO 117 N -2.40 4.26 0.82 5.56 0.04 -1.26 -4.95 135.00 137.06 1x9l s PRO 117 Ca 0.60 2.29 -0.11 0.00 0.04 0.00 0.00 61.00 63.83 1x9l s PRO 117 Cb -0.46 -3.14 0.08 0.00 0.04 0.00 0.00 34.50 31.03 1x9l s PRO 117 CO 0.58 -0.48 1.10 -0.48 0.04 0.00 0.00 177.00 177.76 1x9l s LEU 118 N 0.29 2.83 -0.29 -3.56 -0.00 -1.26 -5.08 118.68 111.62 1x9l s LEU 118 Ca 0.63 1.78 -0.10 0.00 -0.00 0.00 0.00 54.13 56.45 1x9l s LEU 118 Cb -0.42 -4.38 0.12 0.00 -0.00 0.00 0.00 46.19 41.51 1x9l s LEU 118 CO 0.38 -2.29 0.62 -0.75 -0.00 0.00 0.00 176.35 174.31 1x9l s LYS 119 N -4.88 0.55 -0.16 1.48 2.36 -1.26 -5.08 119.74 112.74 1x9l s LYS 119 Ca 0.62 1.40 -0.29 0.00 -2.55 0.00 0.00 55.97 55.15 1x9l s LYS 119 Cb -0.18 0.80 -0.04 0.00 -1.05 0.00 0.00 37.83 37.36 1x9l s LYS 119 CO 0.56 -0.21 1.65 0.08 1.55 0.00 0.00 175.35 178.99 1x9l s VAL 120 N 2.84 3.63 0.00 4.02 1.01 -1.26 -2.96 120.40 127.68 1x9l s VAL 120 Ca -0.06 0.73 0.00 0.00 0.00 0.00 0.00 61.98 62.66 1x9l s VAL 120 Cb -0.12 -3.59 0.00 0.00 0.00 0.00 0.00 36.38 32.67 1x9l s VAL 120 CO -0.18 -0.20 0.00 0.61 0.00 0.00 0.00 175.10 175.33 1x9l n GLY 121 N 4.51 0.65 1.03 4.51 0.00 0.57 -5.01 105.19 111.45 1x9l n GLY 121 Ca 0.19 -0.38 -0.07 0.00 0.00 0.00 0.00 46.02 45.76 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 -1.07 0.62 -3.67 1.61 4.07 -1.16 -4.98 120.64 116.06 1x9l n GLU 122 Ca 0.00 -1.06 -0.09 0.00 -0.06 0.00 0.00 57.16 55.95 1x9l n GLU 122 Cb 0.39 0.66 -0.10 0.00 -0.06 0.00 0.00 31.44 32.34 1x9l n GLU 122 CO 0.00 0.00 0.00 0.99 -0.06 0.00 0.00 177.13 178.06 1x9l s THR 123 N -2.13 -0.46 -0.08 6.31 2.01 -1.26 -1.35 115.64 118.68 1x9l s THR 123 Ca 0.08 0.13 0.01 0.00 0.31 0.00 0.00 61.69 62.23 1x9l s THR 123 Cb 0.00 -0.67 0.02 0.00 0.01 0.00 0.00 72.50 71.86 1x9l s THR 123 CO 0.06 0.06 -0.11 -0.69 -0.69 0.00 0.00 174.62 173.24 1x9l s VAL 124 N 2.24 1.14 0.06 3.82 1.01 0.32 -4.91 120.40 124.08 1x9l s VAL 124 Ca -0.04 -0.44 -0.31 0.00 0.00 0.00 0.00 61.98 61.19 1x9l s VAL 124 Cb -0.11 -1.08 -0.06 0.00 0.00 0.00 0.00 36.38 35.13 1x9l s VAL 124 CO -0.13 0.37 1.35 0.20 0.00 0.00 0.00 175.10 176.89 1x9l s ASN 125 N 0.99 6.89 0.08 3.32 0.01 -1.26 -0.25 114.94 124.73 1x9l s ASN 125 Ca -0.08 2.18 0.07 0.00 -0.71 0.00 0.00 52.86 54.32 1x9l s ASN 125 Cb -0.15 -2.57 -0.04 0.00 0.41 0.00 0.00 41.25 38.90 1x9l s ASN 125 CO -0.00 -0.64 -0.14 0.27 -1.51 0.00 0.00 177.10 175.08 1x9l s ILE 126 N 1.58 3.11 -0.12 0.60 -4.36 0.43 -4.40 121.20 118.03 1x9l s ILE 126 Ca 0.63 -1.25 -0.02 0.00 -0.26 0.00 0.00 60.65 59.75 1x9l s ILE 126 Cb -0.33 -2.40 -0.03 0.00 1.25 0.00 0.00 42.46 40.95 1x9l s ILE 126 CO 0.29 0.20 -0.06 -0.89 0.24 0.00 0.00 174.94 174.71 1x9l s THR 127 N -1.10 3.71 0.47 8.37 2.01 0.26 -0.77 115.64 128.59 1x9l s THR 127 Ca 0.18 -0.44 -0.12 0.00 0.31 0.00 0.00 61.69 61.62 1x9l s THR 127 Cb -0.11 -2.58 -0.06 0.00 0.01 0.00 0.00 72.50 69.76 1x9l s THR 127 CO 0.10 0.54 0.87 -0.22 -0.69 0.00 0.00 174.62 175.21 1x9l s LEU 128 N -0.06 3.69 -0.43 4.42 0.20 0.31 -0.14 118.68 126.66 1x9l s LEU 128 Ca 0.01 1.29 0.06 0.00 0.69 0.00 0.00 54.13 56.18 1x9l s LEU 128 Cb -0.13 -4.21 0.18 0.00 -0.43 0.00 0.00 46.19 41.59 1x9l s LEU 128 CO 0.03 -0.52 0.58 -0.75 -0.29 0.00 0.00 176.35 175.39 1x9l s LYS 129 N -4.12 0.87 0.56 1.98 2.20 -1.23 -3.05 119.74 116.94 1x9l s LYS 129 Ca 0.54 -0.82 -0.13 0.00 -0.36 0.00 0.00 55.97 55.20 1x9l s LYS 129 Cb -0.10 -0.27 -0.06 0.00 -1.51 0.00 0.00 37.83 35.89 1x9l s LYS 129 CO 0.35 -1.25 0.99 0.00 -0.36 0.00 0.00 175.35 175.07 1x9l s ALA 130 N 1.29 3.11 0.49 3.13 0.00 -0.05 -3.72 121.76 126.02 1x9l s ALA 130 Ca 0.22 -0.01 0.22 0.00 0.00 0.00 0.00 51.96 52.39 1x9l s ALA 130 Cb -0.05 -3.06 1.28 0.00 0.00 0.00 0.00 23.12 21.29 1x9l s ALA 130 CO -0.06 -0.47 1.96 0.00 0.00 0.00 0.00 175.76 177.19 1x9l h THR 131 N 0.24 0.74 -1.02 0.00 1.03 -1.85 0.17 112.91 112.23 1x9l h THR 131 Ca -0.45 -0.05 0.27 0.00 -0.01 0.00 0.00 66.41 66.17 1x9l h THR 131 Cb 1.19 0.58 -0.06 0.00 -1.07 0.00 0.00 68.15 68.78 1x9l h THR 131 CO 0.62 0.03 0.70 -0.78 -0.01 0.00 0.00 175.52 176.08 1x9l h ASP 132 N 0.15 0.20 0.00 0.00 1.82 -1.92 -3.45 116.42 113.23 1x9l h ASP 132 Ca 0.31 0.03 0.00 0.00 -0.39 0.00 0.00 57.03 56.98 1x9l h ASP 132 Cb 1.01 -0.00 0.00 0.00 0.68 0.00 0.00 39.33 41.02 1x9l h ASP 132 CO -0.05 0.05 0.00 0.61 -1.61 0.00 0.00 179.24 178.25 1x9l n GLY 133 N -1.62 1.04 3.51 -0.78 0.00 0.60 -5.06 105.19 102.88 1x9l n GLY 133 Ca 0.23 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.83 1x9l n GLY 133 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1x9l s ARG 134 N -0.79 3.36 0.32 1.61 1.81 -1.17 -4.80 118.95 119.28 1x9l s ARG 134 Ca 0.00 -0.92 -0.19 0.00 -1.72 0.00 0.00 55.73 52.91 1x9l s ARG 134 Cb 0.00 -4.67 -0.09 0.00 -0.45 0.00 0.00 34.95 29.74 1x9l s ARG 134 CO 0.00 -2.02 0.80 -0.08 -0.68 0.00 0.00 175.30 173.32 1x9l s THR 135 N 4.56 4.53 0.33 0.02 -1.32 -1.26 -0.87 115.64 121.63 1x9l s THR 135 Ca 0.35 1.25 -0.15 0.00 -1.21 0.00 0.00 61.69 61.93 1x9l s THR 135 Cb -0.07 -3.72 0.03 0.00 -1.51 0.00 0.00 72.50 67.23 1x9l s THR 135 CO 0.02 -0.07 0.68 -0.22 -2.21 0.00 0.00 174.62 172.81 1x9l s LEU 136 N -2.66 0.12 -0.01 9.08 2.96 -1.17 -4.84 118.68 122.16 1x9l s LEU 136 Ca 0.52 -1.01 0.02 0.00 -0.22 0.00 0.00 54.13 53.45 1x9l s LEU 136 Cb -0.13 2.45 -0.00 0.00 0.50 0.00 0.00 46.19 49.02 1x9l s LEU 136 CO 0.18 -1.45 -0.07 0.54 -1.32 0.00 0.00 176.35 174.23 1x9l s ASN 137 N -3.04 0.80 -0.01 3.68 4.22 -1.26 -0.53 114.94 118.80 1x9l s ASN 137 Ca 0.17 -0.12 0.03 0.00 -2.14 0.00 0.00 52.86 50.80 1x9l s ASN 137 Cb -0.04 -0.11 -0.01 0.00 1.28 0.00 0.00 41.25 42.37 1x9l s ASN 137 CO 0.11 0.07 -0.08 -0.69 -2.04 0.00 0.00 177.10 174.47 1x9l s VAL 138 N -0.08 0.65 -0.60 3.54 1.01 0.05 -4.96 120.40 120.01 1x9l s VAL 138 Ca 0.02 -0.35 -0.17 0.00 0.00 0.00 0.00 61.98 61.47 1x9l s VAL 138 Cb -0.04 -0.55 0.13 0.00 0.00 0.00 0.00 36.38 35.92 1x9l s VAL 138 CO -0.00 0.18 0.63 0.00 0.00 0.00 0.00 175.10 175.92 1x9l s ALA 139 N -0.19 3.59 -0.17 5.51 0.00 -1.26 -0.43 121.76 128.80 1x9l s ALA 139 Ca 0.03 -2.50 -0.26 0.00 0.00 0.00 0.00 51.96 49.23 1x9l s ALA 139 Cb -0.03 -3.43 -0.01 0.00 0.00 0.00 0.00 23.12 19.65 1x9l s ALA 139 CO -0.00 -2.22 0.85 0.00 0.00 0.00 0.00 175.76 174.39 1x9l s ALA 140 N 1.93 3.53 0.12 0.00 0.00 0.66 -4.75 121.76 123.25 1x9l s ALA 140 Ca 0.09 0.05 -0.26 0.00 0.00 0.00 0.00 51.96 51.84 1x9l s ALA 140 Cb -0.25 -3.26 -0.07 0.00 0.00 0.00 0.00 23.12 19.54 1x9l s ALA 140 CO 0.03 -0.68 0.80 0.99 0.00 0.00 0.00 175.76 176.89 1x9l s THR 141 N 2.23 4.50 -0.39 0.00 2.01 0.39 -0.52 115.64 123.85 1x9l s THR 141 Ca 0.39 1.73 -0.18 0.00 0.31 0.00 0.00 61.69 63.94 1x9l s THR 141 Cb -0.16 -4.16 0.01 0.00 0.01 0.00 0.00 72.50 68.20 1x9l s THR 141 CO 0.12 0.45 0.47 -0.69 -0.69 0.00 0.00 174.62 174.27 1x9l s VAL 142 N -0.64 5.05 -0.24 3.82 1.01 -0.46 -0.33 120.40 128.60 1x9l s VAL 142 Ca 0.38 -0.04 -0.02 0.00 0.00 0.00 0.00 61.98 62.30 1x9l s VAL 142 Cb -0.22 -4.00 0.12 0.00 0.00 0.00 0.00 36.38 32.28 1x9l s VAL 142 CO 0.26 -0.33 0.31 -0.54 0.00 0.00 0.00 175.10 174.80 1x9l s LYS 143 N 2.27 0.30 0.43 2.72 -0.14 0.30 -0.32 119.74 125.30 1x9l s LYS 143 Ca 0.15 0.27 0.07 0.00 -1.36 0.00 0.00 55.97 55.10 1x9l s LYS 143 Cb -0.16 -0.74 0.07 0.00 -1.68 0.00 0.00 37.83 35.32 1x9l s LYS 143 CO 0.14 -0.75 0.60 0.36 -0.76 0.00 0.00 175.35 174.94 1x9l n LYS 144 N 5.34 0.68 0.00 1.68 2.85 -1.26 -3.86 118.16 123.58 1x9l n LYS 144 Ca -0.04 -2.29 0.00 0.00 -1.05 0.00 0.00 58.31 54.93 1x9l n LYS 144 Cb 0.49 -0.19 0.00 0.00 -0.65 0.00 0.00 35.03 34.68 1x9l n LYS 144 CO 0.00 0.00 0.00 0.09 -0.05 0.00 0.00 177.40 177.44 1x9l n ASN 145 N -2.53 -1.38 -4.69 -5.58 3.02 -1.26 -4.75 115.26 98.10 1x9l n ASN 145 Ca 0.12 0.00 -0.51 0.00 -0.03 0.00 0.00 54.58 54.16 1x9l n ASN 145 Cb 0.44 0.00 -0.05 0.00 -0.61 0.00 0.00 39.78 39.56 1x9l n ASN 145 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1x9l n ILE 146 N -0.43 0.47 -3.68 2.41 3.06 -1.26 -4.92 119.36 115.00 1x9l n ILE 146 Ca 0.00 -0.08 -0.08 0.00 -2.50 0.00 0.00 62.75 60.08 1x9l n ILE 146 Cb 0.00 -1.66 -0.02 0.00 0.54 0.00 0.00 39.64 38.50 1x9l n ILE 146 CO 0.00 0.00 0.00 -1.61 -2.50 0.00 0.00 176.55 172.44 1x9l s GLU 147 N 3.70 1.48 0.00 9.51 0.41 -1.26 -5.06 118.70 127.48 1x9l s GLU 147 Ca 0.93 -0.73 0.00 0.00 -0.41 0.00 0.00 54.97 54.76 1x9l s GLU 147 Cb -0.80 0.56 0.00 0.00 -1.78 0.00 0.00 34.13 32.11 1x9l s GLU 147 CO 0.55 -0.67 0.00 0.41 -0.49 0.00 0.00 175.26 175.06 1x9l n GLY 148 N -0.42 0.87 0.00 -1.39 0.00 -1.26 -4.97 105.19 98.02 1x9l n GLY 148 Ca -0.09 -0.75 0.00 0.00 0.00 0.00 0.00 46.02 45.18 1x9l n GLY 148 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19