#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 -1.41 3.61 3.03 0.00 -1.26 -5.20 105.19 103.96 1x9l n GLY 2 Ca 0.00 -1.05 -0.10 0.00 0.00 0.00 0.00 46.02 44.87 1x9l n GLY 2 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 1x9l s HIS 3 N -2.12 -0.39 -0.07 1.61 5.65 -1.26 -5.18 115.29 113.53 1x9l s HIS 3 Ca 0.00 0.07 -0.18 0.00 0.25 0.00 0.00 55.06 55.20 1x9l s HIS 3 Cb 0.00 0.62 0.04 0.00 -1.18 0.00 0.00 32.58 32.06 1x9l s HIS 3 CO 0.00 -1.02 0.43 0.99 -0.65 0.00 0.00 174.74 174.49 1x9l s THR 4 N -3.82 0.03 0.15 0.89 2.01 -1.26 -5.18 115.64 108.46 1x9l s THR 4 Ca 0.05 -0.24 0.11 0.00 0.31 0.00 0.00 61.69 61.92 1x9l s THR 4 Cb -0.03 -0.70 -0.04 0.00 0.01 0.00 0.00 72.50 71.74 1x9l s THR 4 CO -0.05 -0.13 -0.25 0.00 -0.69 0.00 0.00 174.62 173.50 1x9l s MET 5 N -0.84 1.41 1.13 4.92 0.00 -1.26 -5.15 119.30 119.51 1x9l s MET 5 Ca -0.09 -1.40 -0.18 0.00 0.00 0.00 0.00 55.69 54.02 1x9l s MET 5 Cb -0.04 -1.82 0.26 0.00 0.00 0.00 0.00 34.83 33.23 1x9l s MET 5 CO 0.04 0.41 1.16 -1.25 0.00 0.00 0.00 175.02 175.38 1x9l s PRO 6 N -2.29 -0.62 0.18 3.16 0.04 -1.26 -5.11 135.00 129.10 1x9l s PRO 6 Ca 0.16 -0.10 -0.10 0.00 0.04 0.00 0.00 61.00 61.00 1x9l s PRO 6 Cb -0.09 -1.67 -0.00 0.00 0.04 0.00 0.00 34.50 32.78 1x9l s PRO 6 CO 0.07 -3.31 0.33 0.00 0.04 0.00 0.00 177.00 174.14 1x9l s ALA 7 N -3.21 -0.12 0.32 8.56 0.00 -1.26 -5.19 121.76 120.85 1x9l s ALA 7 Ca 0.71 -0.81 -0.05 0.00 0.00 0.00 0.00 51.96 51.81 1x9l s ALA 7 Cb -0.09 0.89 0.00 0.00 0.00 0.00 0.00 23.12 23.92 1x9l s ALA 7 CO 0.55 -0.68 0.46 -1.01 0.00 0.00 0.00 175.76 175.08 1x9l s HIS 8 N -3.96 0.89 -0.20 0.00 3.76 -1.26 -5.18 115.29 109.34 1x9l s HIS 8 Ca 0.17 -1.17 -0.15 0.00 -0.15 0.00 0.00 55.06 53.77 1x9l s HIS 8 Cb 0.02 -0.03 0.06 0.00 1.11 0.00 0.00 32.58 33.75 1x9l s HIS 8 CO 0.01 -1.09 0.50 0.99 -0.85 0.00 0.00 174.74 174.30 1x9l s THR 9 N -3.29 -0.01 0.71 1.30 2.01 -1.26 -5.17 115.64 109.93 1x9l s THR 9 Ca 0.29 0.03 -0.11 0.00 0.31 0.00 0.00 61.69 62.21 1x9l s THR 9 Cb -0.00 -0.72 0.02 0.00 0.01 0.00 0.00 72.50 71.81 1x9l s THR 9 CO 0.17 0.01 1.07 -2.16 -0.69 0.00 0.00 174.62 173.03 1x9l s PRO 10 N 0.82 2.71 0.98 4.92 0.04 -1.26 -5.07 135.00 138.14 1x9l s PRO 10 Ca -0.04 1.07 -0.17 0.00 0.04 0.00 0.00 61.00 61.90 1x9l s PRO 10 Cb -0.05 -1.96 0.24 0.00 0.04 0.00 0.00 34.50 32.77 1x9l s PRO 10 CO -0.06 -1.28 1.07 -0.35 0.04 0.00 0.00 177.00 176.42 1x9l n PRO 11 N -3.16 -2.05 -4.15 0.56 -0.04 -1.26 -5.12 135.00 119.77 1x9l n PRO 11 Ca 0.08 -1.69 -0.10 0.00 -0.04 0.00 0.00 63.50 61.76 1x9l n PRO 11 Cb 0.53 -1.34 -0.10 0.00 -0.04 0.00 0.00 33.50 32.56 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 -3.49 0.89 0.17 0.55 0.00 -1.26 -5.19 121.76 113.44 1x9l s ALA 12 Ca 0.65 -1.47 -0.05 0.00 0.00 0.00 0.00 51.96 51.09 1x9l s ALA 12 Cb -0.04 0.80 -0.02 0.00 0.00 0.00 0.00 23.12 23.85 1x9l s ALA 12 CO 0.48 -0.46 0.21 -0.65 0.00 0.00 0.00 175.76 175.33 1x9l s GLN 13 N -4.03 1.15 0.00 0.00 -0.21 -1.26 -5.18 119.66 110.14 1x9l s GLN 13 Ca 0.23 -1.36 0.01 0.00 0.02 0.00 0.00 55.36 54.25 1x9l s GLN 13 Cb 0.07 0.33 -0.00 0.00 1.00 0.00 0.00 33.01 34.41 1x9l s GLN 13 CO 0.01 -0.40 -0.02 0.95 -2.12 0.00 0.00 175.29 173.71 1x9l s THR 14 N -4.04 0.15 0.10 -0.19 -4.23 -1.26 -5.17 115.64 100.99 1x9l s THR 14 Ca 0.25 -0.21 0.08 0.00 -1.18 0.00 0.00 61.69 60.63 1x9l s THR 14 Cb 0.05 -0.16 -0.03 0.00 1.34 0.00 0.00 72.50 73.70 1x9l s THR 14 CO 0.04 -0.04 -0.20 0.00 -0.54 0.00 0.00 174.62 173.88 1x9l s ALA 15 N -0.25 1.72 1.07 3.99 0.00 -1.26 -5.16 121.76 121.87 1x9l s ALA 15 Ca -0.02 -1.20 -0.18 0.00 0.00 0.00 0.00 51.96 50.56 1x9l s ALA 15 Cb -0.02 -0.23 0.24 0.00 0.00 0.00 0.00 23.12 23.11 1x9l s ALA 15 CO -0.00 0.34 1.24 -1.25 0.00 0.00 0.00 175.76 176.09 1x9l s PRO 16 N -1.85 -0.21 0.21 0.00 0.04 -1.26 -5.12 135.00 126.81 1x9l s PRO 16 Ca 0.05 -0.30 -0.15 0.00 0.04 0.00 0.00 61.00 60.64 1x9l s PRO 16 Cb -0.10 -1.74 0.01 0.00 0.04 0.00 0.00 34.50 32.71 1x9l s PRO 16 CO 0.04 -3.00 0.47 0.00 0.04 0.00 0.00 177.00 174.55 1x9l s ALA 17 N -3.54 -0.56 0.22 8.56 0.00 -1.26 -5.19 121.76 119.99 1x9l s ALA 17 Ca 0.73 -0.55 -0.23 0.00 0.00 0.00 0.00 51.96 51.92 1x9l s ALA 17 Cb -0.06 0.91 0.04 0.00 0.00 0.00 0.00 23.12 24.01 1x9l s ALA 17 CO 0.54 -0.80 0.79 0.00 0.00 0.00 0.00 175.76 176.29 1x9l s ALA 18 N -3.94 -1.40 -0.04 0.00 0.00 -1.26 -5.19 121.76 109.94 1x9l s ALA 18 Ca 0.15 -0.08 -0.19 0.00 0.00 0.00 0.00 51.96 51.84 1x9l s ALA 18 Cb -0.00 0.78 0.04 0.00 0.00 0.00 0.00 23.12 23.93 1x9l s ALA 18 CO 0.02 -1.01 0.41 -1.14 0.00 0.00 0.00 175.76 174.04 1x9l s GLN 19 N -3.70 0.74 -0.28 0.00 -0.44 -1.26 -5.17 119.66 109.56 1x9l s GLN 19 Ca 0.10 0.02 -0.22 0.00 -2.50 0.00 0.00 55.36 52.76 1x9l s GLN 19 Cb -0.04 0.34 0.09 0.00 -1.64 0.00 0.00 33.01 31.75 1x9l s GLN 19 CO 0.03 -0.20 0.78 -1.59 0.50 0.00 0.00 175.29 174.82 1x9l s LYS 20 N -1.08 0.72 0.31 1.67 0.00 -1.26 -5.19 119.74 114.91 1x9l s LYS 20 Ca -0.11 0.97 -0.19 0.00 0.00 0.00 0.00 55.97 56.63 1x9l s LYS 20 Cb -0.04 0.30 0.03 0.00 0.00 0.00 0.00 37.83 38.12 1x9l s LYS 20 CO 0.05 -0.10 0.73 0.00 0.00 0.00 0.00 175.35 176.03 1x9l s ALA 21 N 0.72 -1.07 0.00 0.59 0.00 -1.26 -5.19 121.76 115.55 1x9l s ALA 21 Ca -0.02 -0.44 0.00 0.00 0.00 0.00 0.00 51.96 51.50 1x9l s ALA 21 Cb -0.05 0.81 0.00 0.00 0.00 0.00 0.00 23.12 23.88 1x9l s ALA 21 CO -0.06 -1.02 0.00 0.41 0.00 0.00 0.00 175.76 175.09 1x9l n GLY 22 N -0.48 -0.55 7.00 0.00 0.00 -1.26 -5.16 105.19 104.75 1x9l n GLY 22 Ca -0.05 -0.70 0.00 0.00 0.00 0.00 0.00 46.02 45.26 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 0.00 0.00 -0.98 4.61 0.00 -1.26 -4.92 120.51 117.97 1x9l n ALA 23 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1x9l n ALA 23 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 1x9l n ALA 23 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 1x9l n GLN 24 N 0.00 0.00 -3.68 0.00 6.02 -1.26 -4.81 117.38 113.66 1x9l n GLN 24 Ca 0.00 0.00 -0.15 0.00 -0.01 0.00 0.00 57.00 56.84 1x9l n GLN 24 Cb 0.00 0.00 -0.08 0.00 1.02 0.00 0.00 30.24 31.18 1x9l n GLN 24 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1x9l s ALA 25 N -1.98 -1.16 -0.24 -1.58 0.00 -1.26 -5.15 121.76 110.39 1x9l s ALA 25 Ca 0.00 0.79 -0.16 0.00 0.00 0.00 0.00 51.96 52.59 1x9l s ALA 25 Cb 0.00 -0.07 -0.04 0.00 0.00 0.00 0.00 23.12 23.02 1x9l s ALA 25 CO 0.00 -0.29 0.41 -1.17 0.00 0.00 0.00 175.76 174.71 1x9l s LEU 26 N -1.06 4.09 0.71 0.00 0.20 -1.26 -5.08 118.68 116.27 1x9l s LEU 26 Ca -0.11 0.43 -0.11 0.00 0.69 0.00 0.00 54.13 55.02 1x9l s LEU 26 Cb -0.03 -2.51 0.02 0.00 -0.43 0.00 0.00 46.19 43.24 1x9l s LEU 26 CO 0.06 -0.16 1.07 -2.16 -0.29 0.00 0.00 176.35 174.87 1x9l s PRO 27 N 1.82 2.72 -0.56 0.98 0.04 -1.26 -4.77 135.00 133.98 1x9l s PRO 27 Ca 0.18 1.07 -0.07 0.00 0.04 0.00 0.00 61.00 62.22 1x9l s PRO 27 Cb -0.15 -1.96 -0.15 0.00 0.04 0.00 0.00 34.50 32.28 1x9l s PRO 27 CO 0.09 -1.28 3.25 1.33 0.04 0.00 0.00 177.00 180.43 1x9l n VAL 28 N -3.15 3.53 -2.80 -0.36 0.24 -1.26 -4.15 118.33 110.38 1x9l n VAL 28 Ca 0.08 -2.20 -0.10 0.00 -2.04 0.00 0.00 64.34 60.08 1x9l n VAL 28 Cb 0.53 -2.09 0.06 0.00 -1.47 0.00 0.00 33.84 30.88 1x9l n VAL 28 CO 0.00 0.00 0.00 0.35 -2.14 0.00 0.00 176.83 175.04 1x9l n THR 29 N 2.44 -0.04 -2.78 3.34 -2.24 -1.26 -4.57 114.28 109.17 1x9l n THR 29 Ca 0.54 -1.90 -0.35 0.00 -2.27 0.00 0.00 64.05 60.07 1x9l n THR 29 Cb 0.65 1.21 -0.01 0.00 -2.10 0.00 0.00 70.33 70.08 1x9l n THR 29 CO 0.00 0.00 0.00 0.55 -0.57 0.00 0.00 175.07 175.05 1x9l n VAL 30 N 0.64 4.78 -4.23 2.28 3.14 -1.26 -5.00 118.33 118.67 1x9l n VAL 30 Ca 0.09 -5.81 -0.17 0.00 -2.96 0.00 0.00 64.34 55.49 1x9l n VAL 30 Cb 0.68 -1.49 -0.13 0.00 -1.06 0.00 0.00 33.84 31.83 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 -3.95 0.67 -0.98 1.45 2.00 -1.26 -4.82 119.66 112.77 1x9l s GLN 31 Ca 0.43 -0.54 -0.15 0.00 -2.00 0.00 0.00 55.36 53.10 1x9l s GLN 31 Cb 0.23 -0.60 0.18 0.00 0.80 0.00 0.00 33.01 33.62 1x9l s GLN 31 CO -0.13 0.15 1.08 0.20 -0.50 0.00 0.00 175.29 176.09 1x9l s GLY 32 N -0.84 2.41 0.32 2.59 0.00 -1.26 -5.04 107.32 105.50 1x9l s GLY 32 Ca -0.01 -3.19 -0.28 0.00 0.00 0.00 0.00 44.72 41.24 1x9l s GLY 32 CO 0.00 1.71 1.18 0.00 0.00 0.00 0.00 173.10 176.00 1x9l n ALA 33 N 5.12 0.68 -2.39 3.20 0.00 -1.26 -4.83 120.51 121.03 1x9l n ALA 33 Ca 0.23 0.37 -0.32 0.00 0.00 0.00 0.00 53.44 53.73 1x9l n ALA 33 Cb 0.46 -2.16 -0.15 0.00 0.00 0.00 0.00 19.45 17.60 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 -1.05 2.53 -0.11 0.00 -4.23 -1.22 -0.68 115.64 110.87 1x9l s THR 34 Ca 0.57 -0.96 -0.00 0.00 -1.18 0.00 0.00 61.69 60.11 1x9l s THR 34 Cb -0.62 -1.94 -0.02 0.00 1.34 0.00 0.00 72.50 71.25 1x9l s THR 34 CO 0.61 0.56 -0.10 -0.69 -0.54 0.00 0.00 174.62 174.47 1x9l s VAL 35 N -0.69 3.41 0.01 2.29 1.01 0.29 -0.62 120.40 126.10 1x9l s VAL 35 Ca 0.11 -0.56 -0.30 0.00 0.00 0.00 0.00 61.98 61.23 1x9l s VAL 35 Cb -0.10 -2.42 -0.07 0.00 0.00 0.00 0.00 36.38 33.78 1x9l s VAL 35 CO 0.00 0.55 1.79 0.00 0.00 0.00 0.00 175.10 177.43 1x9l s ALA 36 N -0.13 3.62 0.01 5.51 0.00 -0.48 -0.31 121.76 129.98 1x9l s ALA 36 Ca 0.00 1.15 -0.04 0.00 0.00 0.00 0.00 51.96 53.08 1x9l s ALA 36 Cb -0.13 -3.78 -0.02 0.00 0.00 0.00 0.00 23.12 19.19 1x9l s ALA 36 CO 0.03 -1.42 1.06 0.00 0.00 0.00 0.00 175.76 175.44 1x9l h ALA 37 N 9.74 -0.70 -2.69 0.00 0.00 -1.85 -3.42 119.26 120.35 1x9l h ALA 37 Ca -0.44 -0.02 -0.43 0.00 0.00 0.00 0.00 54.91 54.02 1x9l h ALA 37 Cb 1.21 0.41 -0.38 0.00 0.00 0.00 0.00 17.79 19.02 1x9l h ALA 37 CO 0.94 -0.71 -0.71 0.08 0.00 0.00 0.00 179.25 178.86 1x9l s VAL 38 N -3.31 -0.19 0.98 0.00 1.01 -1.26 -4.54 120.40 113.07 1x9l s VAL 38 Ca -0.02 -0.41 -0.11 0.00 0.00 0.00 0.00 61.98 61.44 1x9l s VAL 38 Cb 0.01 -0.80 0.18 0.00 0.00 0.00 0.00 36.38 35.76 1x9l s VAL 38 CO 0.07 -0.45 1.09 -2.84 0.00 0.00 0.00 175.10 172.97 1x9l s PRO 39 N 2.21 0.58 -1.12 2.72 0.02 -1.26 -4.88 135.00 133.28 1x9l s PRO 39 Ca 0.07 1.02 -0.15 0.00 0.02 0.00 0.00 61.00 61.96 1x9l s PRO 39 Cb -0.16 -1.72 -0.07 0.00 0.02 0.00 0.00 34.50 32.58 1x9l s PRO 39 CO -0.23 -2.76 2.19 -0.35 -0.33 0.00 0.00 177.00 175.52 1x9l n PRO 40 N -4.27 2.31 0.00 5.54 -0.04 -1.26 -2.30 135.00 134.98 1x9l n PRO 40 Ca 0.07 -2.04 0.00 0.00 -0.04 0.00 0.00 63.50 61.49 1x9l n PRO 40 Cb 0.54 -2.92 0.00 0.00 -0.04 0.00 0.00 33.50 31.08 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 5.91 0.00 -0.66 3.54 2.88 -1.26 -5.17 113.62 118.86 1x9l n SER 41 Ca 0.53 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 58.07 1x9l n SER 41 Cb 0.32 0.33 0.00 0.00 -0.75 0.00 0.00 64.21 64.11 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 -2.30 -1.69 0.00 2.46 5.41 -0.97 -4.78 119.36 117.49 1x9l n ILE 42 Ca 0.00 0.73 0.00 0.00 1.00 0.00 0.00 62.75 64.48 1x9l n ILE 42 Cb 0.00 -1.13 0.00 0.00 -0.71 0.00 0.00 39.64 37.80 1x9l n ILE 42 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 176.55 175.41 1x9l n ARG 43 N -1.67 0.00 -2.43 0.38 0.63 -1.26 -4.87 116.66 107.44 1x9l n ARG 43 Ca 0.00 0.00 -0.32 0.00 -0.92 0.00 0.00 57.85 56.61 1x9l n ARG 43 Cb 0.14 -0.00 -0.04 0.00 0.45 0.00 0.00 32.46 33.01 1x9l n ARG 43 CO 0.00 0.00 0.00 0.34 -2.51 0.00 0.00 177.63 175.46 1x9l s ASP 44 N 0.00 6.61 0.07 6.15 2.15 -1.26 -0.07 116.67 130.31 1x9l s ASP 44 Ca 0.00 1.60 -0.27 0.00 0.43 0.00 0.00 52.55 54.31 1x9l s ASP 44 Cb 0.00 -2.51 0.09 0.00 -0.30 0.00 0.00 42.92 40.20 1x9l s ASP 44 CO 0.00 -0.59 1.15 0.28 -0.17 0.00 0.00 175.17 175.84 1x9l s THR 45 N -2.56 0.00 0.17 1.71 -1.32 -1.23 -4.50 115.64 107.90 1x9l s THR 45 Ca 0.60 -0.41 -0.19 0.00 -1.21 0.00 0.00 61.69 60.48 1x9l s THR 45 Cb -0.10 -2.26 0.05 0.00 -1.51 0.00 0.00 72.50 68.68 1x9l s THR 45 CO 0.29 0.00 0.53 0.00 -2.21 0.00 0.00 174.62 173.23 1x9l s ALA 46 N -2.59 -1.22 0.05 11.08 0.00 -1.26 -0.15 121.76 127.67 1x9l s ALA 46 Ca 0.17 0.11 -0.17 0.00 0.00 0.00 0.00 51.96 52.07 1x9l s ALA 46 Cb 0.01 0.82 -0.06 0.00 0.00 0.00 0.00 23.12 23.89 1x9l s ALA 46 CO -0.00 -0.76 0.50 0.00 0.00 0.00 0.00 175.76 175.50 1x9l s ALA 47 N -3.81 3.64 -0.15 0.00 0.00 -0.44 -1.38 121.76 119.62 1x9l s ALA 47 Ca 0.04 -0.08 -0.03 0.00 0.00 0.00 0.00 51.96 51.89 1x9l s ALA 47 Cb -0.00 -2.52 0.05 0.00 0.00 0.00 0.00 23.12 20.64 1x9l s ALA 47 CO -0.09 0.44 0.04 0.71 0.00 0.00 0.00 175.76 176.86 1x9l s TYR 48 N -1.13 0.72 0.07 0.00 2.02 0.21 -3.91 117.35 115.33 1x9l s TYR 48 Ca 0.27 -0.53 -0.04 0.00 -0.37 0.00 0.00 57.07 56.41 1x9l s TYR 48 Cb -0.18 -0.88 0.01 0.00 -0.40 0.00 0.00 41.96 40.52 1x9l s TYR 48 CO 0.17 -0.50 0.20 0.00 -1.57 0.00 0.00 175.55 173.84 1x9l n MET 49 N 5.13 0.21 -4.14 -0.62 0.00 0.14 -3.44 117.12 114.40 1x9l n MET 49 Ca -0.08 -0.43 -0.29 0.00 0.00 0.00 0.00 57.70 56.90 1x9l n MET 49 Cb 0.48 0.56 -0.17 0.00 0.00 0.00 0.00 33.22 34.09 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 -2.66 1.51 0.10 3.17 2.01 -1.26 -0.46 115.64 118.04 1x9l s THR 50 Ca 0.04 -0.61 -0.27 0.00 0.31 0.00 0.00 61.69 61.16 1x9l s THR 50 Cb -0.01 -1.41 -0.06 0.00 0.01 0.00 0.00 72.50 71.03 1x9l s THR 50 CO 0.02 0.45 0.84 -0.76 -0.69 0.00 0.00 174.62 174.48 1x9l s LEU 51 N 1.35 4.50 -0.75 4.42 1.02 -0.10 -4.69 118.68 124.43 1x9l s LEU 51 Ca 0.01 1.62 0.04 0.00 0.02 0.00 0.00 54.13 55.82 1x9l s LEU 51 Cb -0.13 -3.38 0.19 0.00 0.02 0.00 0.00 46.19 42.89 1x9l s LEU 51 CO -0.08 0.03 0.61 0.41 0.02 0.00 0.00 176.35 177.34 1x9l n THR 52 N 2.55 2.10 -2.57 5.49 -1.04 -1.26 -1.95 114.28 117.60 1x9l n THR 52 Ca -0.01 -4.99 -0.41 0.00 -2.04 0.00 0.00 64.05 56.59 1x9l n THR 52 Cb 0.49 -2.21 -0.03 0.00 -1.82 0.00 0.00 70.33 66.76 1x9l n THR 52 CO 0.00 0.00 0.00 0.20 -0.64 0.00 0.00 175.07 174.63 1x9l s ASN 53 N -1.36 6.18 -0.73 8.00 -0.87 -1.17 -4.39 114.94 120.60 1x9l s ASN 53 Ca 0.28 -0.45 0.02 0.00 -1.57 0.00 0.00 52.86 51.13 1x9l s ASN 53 Cb -0.02 -2.55 0.36 0.00 -0.02 0.00 0.00 41.25 39.02 1x9l s ASN 53 CO -0.14 -1.80 1.51 0.29 -2.57 0.00 0.00 177.10 174.40 1x9l n LYS 54 N 9.23 3.70 -3.64 -0.60 5.02 -1.26 -4.57 118.16 126.05 1x9l n LYS 54 Ca 0.03 -4.35 -0.03 0.00 -2.02 0.00 0.00 58.31 51.94 1x9l n LYS 54 Cb 0.49 -2.31 -0.05 0.00 -0.02 0.00 0.00 35.03 33.14 1x9l n LYS 54 CO 0.00 0.00 0.00 -1.54 -0.52 0.00 0.00 177.40 175.34 1x9l s SER 55 N -2.29 -0.07 -1.30 4.39 1.04 -1.26 -4.84 113.70 109.38 1x9l s SER 55 Ca 0.47 0.09 -0.09 0.00 0.48 0.00 0.00 55.95 56.90 1x9l s SER 55 Cb 0.33 0.08 0.16 0.00 0.10 0.00 0.00 66.02 66.68 1x9l s SER 55 CO -0.23 -0.06 1.94 -0.67 0.98 0.00 0.00 173.24 175.20 1x9l n ASP 56 N 0.76 5.23 -3.99 7.02 2.03 -1.26 -4.06 116.55 122.27 1x9l n ASP 56 Ca -0.03 -3.10 -0.25 0.00 0.52 0.00 0.00 54.79 51.93 1x9l n ASP 56 Cb 0.58 -1.48 -0.17 0.00 -0.72 0.00 0.00 41.12 39.34 1x9l n ASP 56 CO 0.00 0.00 0.00 -1.10 -1.92 0.00 0.00 177.20 174.18 1x9l s GLN 57 N 0.44 1.65 -0.73 -0.67 1.11 -1.26 -4.97 119.66 115.23 1x9l s GLN 57 Ca 0.41 -0.37 -0.26 0.00 0.01 0.00 0.00 55.36 55.15 1x9l s GLN 57 Cb 0.11 -1.46 0.04 0.00 -1.01 0.00 0.00 33.01 30.69 1x9l s GLN 57 CO -0.01 -0.06 1.24 -1.25 0.01 0.00 0.00 175.29 175.22 1x9l s PRO 58 N 0.96 3.19 -0.05 2.91 0.04 -1.26 -2.69 135.00 138.09 1x9l s PRO 58 Ca -0.09 -0.34 -0.08 0.00 0.04 0.00 0.00 61.00 60.52 1x9l s PRO 58 Cb -0.15 -4.21 -0.05 0.00 0.04 0.00 0.00 34.50 30.14 1x9l s PRO 58 CO 0.00 -2.10 0.24 0.42 0.04 0.00 0.00 177.00 175.59 1x9l s ILE 59 N 5.48 5.35 -0.36 0.56 1.09 -0.10 -4.83 121.20 128.39 1x9l s ILE 59 Ca 0.33 0.30 0.02 0.00 -1.10 0.00 0.00 60.65 60.20 1x9l s ILE 59 Cb -0.09 -3.52 0.11 0.00 -1.06 0.00 0.00 42.46 37.90 1x9l s ILE 59 CO 0.14 0.52 0.12 -1.59 -0.10 0.00 0.00 174.94 174.02 1x9l s LYS 60 N -1.32 1.17 0.05 2.79 -2.85 -1.26 -0.81 119.74 117.51 1x9l s LYS 60 Ca 0.21 -1.63 -0.29 0.00 -1.00 0.00 0.00 55.97 53.26 1x9l s LYS 60 Cb -0.13 -2.56 -0.05 0.00 -2.06 0.00 0.00 37.83 33.03 1x9l s LYS 60 CO 0.10 -1.01 0.91 -0.48 0.10 0.00 0.00 175.35 174.97 1x9l s LEU 61 N 1.00 4.43 -0.34 2.77 -0.00 -1.26 -3.19 118.68 122.08 1x9l s LEU 61 Ca 0.12 1.63 0.15 0.00 -0.00 0.00 0.00 54.13 56.04 1x9l s LEU 61 Cb -0.20 -3.47 0.42 0.00 -0.00 0.00 0.00 46.19 42.94 1x9l s LEU 61 CO -0.13 -0.12 0.88 0.52 -0.00 0.00 0.00 176.35 177.50 1x9l n VAL 62 N 3.26 0.65 -3.48 1.48 0.31 0.27 -4.48 118.33 116.34 1x9l n VAL 62 Ca 0.02 -3.68 -0.10 0.00 -0.01 0.00 0.00 64.34 60.57 1x9l n VAL 62 Cb 0.50 0.26 -0.02 0.00 -0.91 0.00 0.00 33.84 33.67 1x9l n VAL 62 CO 0.00 0.00 0.00 -0.83 -1.32 0.00 0.00 176.83 174.68 1x9l s GLY 63 N -2.89 -0.52 -0.24 2.92 0.00 -1.03 -4.55 107.32 101.01 1x9l s GLY 63 Ca 0.32 0.90 -0.12 0.00 0.00 0.00 0.00 44.72 45.82 1x9l s GLY 63 CO -0.01 0.34 0.58 0.00 0.00 0.00 0.00 173.10 174.01 1x9l s ALA 64 N -3.14 -1.61 -0.11 3.20 0.00 -1.24 -3.92 121.76 114.95 1x9l s ALA 64 Ca 0.02 2.07 -0.17 0.00 0.00 0.00 0.00 51.96 53.89 1x9l s ALA 64 Cb -0.01 -1.34 0.04 0.00 0.00 0.00 0.00 23.12 21.81 1x9l s ALA 64 CO -0.09 -0.48 0.43 0.00 0.00 0.00 0.00 175.76 175.62 1x9l s ALA 65 N 1.90 -1.09 -0.16 0.00 0.00 0.11 -4.68 121.76 117.84 1x9l s ALA 65 Ca -0.08 0.99 -0.32 0.00 0.00 0.00 0.00 51.96 52.55 1x9l s ALA 65 Cb -0.08 -0.41 0.14 0.00 0.00 0.00 0.00 23.12 22.76 1x9l s ALA 65 CO -0.17 -0.24 1.11 -0.08 0.00 0.00 0.00 175.76 176.38 1x9l s THR 66 N -0.38 0.00 -1.45 0.00 -1.32 -1.26 -0.42 115.64 110.80 1x9l s THR 66 Ca -0.05 0.00 0.11 0.00 -1.21 0.00 0.00 61.69 60.54 1x9l s THR 66 Cb -0.03 -1.00 0.20 0.00 -1.51 0.00 0.00 72.50 70.15 1x9l s THR 66 CO 0.03 0.00 1.24 -0.81 -2.21 0.00 0.00 174.62 172.87 1x9l n PRO 67 N 0.18 0.16 0.11 7.08 -0.04 -1.26 -3.96 135.00 137.27 1x9l n PRO 67 Ca -0.04 0.18 -0.09 0.00 -0.04 0.00 0.00 63.50 63.50 1x9l n PRO 67 Cb 0.59 -1.50 -0.06 0.00 -0.04 0.00 0.00 33.50 32.49 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 -0.31 -8.40 1.53 6.46 -1.94 -3.41 115.31 109.25 1x9l h LEU 68 Ca 0.00 -0.16 -0.19 0.00 -0.12 0.00 0.00 57.88 57.40 1x9l h LEU 68 Cb 0.10 0.08 -0.15 0.00 -0.73 0.00 0.00 40.66 39.96 1x9l h LEU 68 CO 0.00 0.18 -0.68 0.00 -0.62 0.00 0.00 178.44 177.32 1x9l s ALA 69 N -3.77 0.86 -0.17 1.25 0.00 -1.25 -0.77 121.76 117.90 1x9l s ALA 69 Ca -0.10 -1.34 -0.06 0.00 0.00 0.00 0.00 51.96 50.46 1x9l s ALA 69 Cb 0.01 0.31 -0.22 0.00 0.00 0.00 0.00 23.12 23.22 1x9l s ALA 69 CO 0.35 -0.31 0.15 2.41 0.00 0.00 0.00 175.76 178.35 1x9l n THR 70 N -0.02 1.67 -3.79 0.00 -1.04 0.87 -4.60 114.28 107.36 1x9l n THR 70 Ca -0.11 -0.57 -0.32 0.00 -2.04 0.00 0.00 64.05 61.01 1x9l n THR 70 Cb 0.61 -1.68 -0.10 0.00 -1.82 0.00 0.00 70.33 67.35 1x9l n THR 70 CO 0.00 0.00 0.00 -0.55 -0.64 0.00 0.00 175.07 173.88 1x9l s SER 71 N -6.90 5.23 -0.50 8.00 0.15 0.94 -5.01 113.70 115.61 1x9l s SER 71 Ca -0.27 -3.61 -0.28 0.00 0.70 0.00 0.00 55.95 52.48 1x9l s SER 71 Cb 0.08 -1.76 0.02 0.00 -1.71 0.00 0.00 66.02 62.64 1x9l s SER 71 CO 0.69 -0.17 1.35 -2.16 1.20 0.00 0.00 173.24 174.16 1x9l s PRO 72 N -1.15 3.47 -0.14 5.44 0.04 -1.26 -1.23 135.00 140.17 1x9l s PRO 72 Ca 0.24 0.61 0.01 0.00 0.04 0.00 0.00 61.00 61.90 1x9l s PRO 72 Cb -0.10 -4.05 0.02 0.00 0.04 0.00 0.00 34.50 30.41 1x9l s PRO 72 CO -0.12 -1.72 -0.17 -1.64 0.04 0.00 0.00 177.00 173.39 1x9l s MET 73 N 5.13 2.58 0.15 4.56 -1.94 0.42 -4.87 119.30 125.33 1x9l s MET 73 Ca 0.54 -0.68 -0.26 0.00 -1.71 0.00 0.00 55.69 53.57 1x9l s MET 73 Cb -0.11 -2.23 -0.07 0.00 2.01 0.00 0.00 34.83 34.43 1x9l s MET 73 CO 0.29 -0.15 0.82 -0.51 -0.01 0.00 0.00 175.02 175.46 1x9l s LEU 74 N 1.20 4.56 0.36 -0.03 1.43 -1.26 -0.17 118.68 124.77 1x9l s LEU 74 Ca 0.00 1.67 0.07 0.00 -1.03 0.00 0.00 54.13 54.84 1x9l s LEU 74 Cb -0.14 -3.36 -0.07 0.00 0.03 0.00 0.00 46.19 42.65 1x9l s LEU 74 CO -0.07 0.13 -0.02 -0.04 0.23 0.00 0.00 176.35 176.58 1x9l s MET 75 N -0.81 1.82 -0.04 1.70 -1.94 0.10 -2.80 119.30 117.33 1x9l s MET 75 Ca 0.38 -1.99 -0.02 0.00 -1.71 0.00 0.00 55.69 52.35 1x9l s MET 75 Cb -0.23 -1.47 0.03 0.00 2.01 0.00 0.00 34.83 35.17 1x9l s MET 75 CO 0.27 -0.01 0.06 -0.08 -0.01 0.00 0.00 175.02 175.24 1x9l s THR 76 N -2.82 -0.08 -0.31 2.05 -1.32 -1.23 -2.70 115.64 109.22 1x9l s THR 76 Ca 0.34 0.40 0.18 0.00 -1.21 0.00 0.00 61.69 61.41 1x9l s THR 76 Cb 0.07 -0.18 0.46 0.00 -1.51 0.00 0.00 72.50 71.35 1x9l s THR 76 CO 0.16 0.18 1.00 0.41 -2.21 0.00 0.00 174.62 174.16 1x9l n THR 77 N 5.29 0.98 -2.89 5.08 -1.04 -1.21 -0.23 114.28 120.26 1x9l n THR 77 Ca -0.03 -2.93 -0.08 0.00 -2.04 0.00 0.00 64.05 58.97 1x9l n THR 77 Cb 0.50 0.79 -0.01 0.00 -1.82 0.00 0.00 70.33 69.79 1x9l n THR 77 CO 0.00 0.00 0.00 -0.89 -0.64 0.00 0.00 175.07 173.54 1x9l s THR 78 N -3.04 -0.76 -0.90 12.58 2.01 0.12 -4.05 115.64 121.60 1x9l s THR 78 Ca 0.27 -1.24 -0.26 0.00 0.31 0.00 0.00 61.69 60.77 1x9l s THR 78 Cb 0.43 -0.22 -0.18 0.00 0.01 0.00 0.00 72.50 72.54 1x9l s THR 78 CO 0.02 -0.22 2.30 1.57 -0.69 0.00 0.00 174.62 177.60 1x9l n HIS 79 N 3.00 1.05 0.00 4.92 -0.00 -0.82 -0.94 115.22 122.42 1x9l n HIS 79 Ca 0.20 -0.07 0.00 0.00 0.46 0.00 0.00 57.72 58.31 1x9l n HIS 79 Cb 0.55 -2.58 0.00 0.00 -0.12 0.00 0.00 29.99 27.83 1x9l n HIS 79 CO 0.00 0.00 0.00 0.45 0.46 0.00 0.00 176.34 177.25 1x9l n SER 80 N 19.00 0.00 0.00 0.26 2.88 -1.26 -4.98 113.62 129.52 1x9l n SER 80 Ca 0.45 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.99 1x9l n SER 80 Cb 0.44 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.90 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 0.00 0.79 0.00 0.46 0.00 -0.12 -4.90 105.19 101.42 1x9l n GLY 81 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 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 2.67 1.22 0.00 -0.02 0.00 -1.17 -4.70 105.19 103.18 1x9l n GLY 82 Ca 0.00 -1.30 0.00 0.00 0.00 0.00 0.00 46.02 44.72 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 3.10 -3.63 1.61 2.81 -1.26 -3.88 117.12 115.88 1x9l n MET 83 Ca 0.00 0.00 -0.27 0.00 -1.81 0.00 0.00 57.70 55.62 1x9l n MET 83 Cb 0.00 0.00 -0.10 0.00 -0.71 0.00 0.00 33.22 32.41 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 -3.00 3.45 -2.96 3.04 0.00 -1.26 0.14 120.51 119.92 1x9l n ALA 84 Ca 0.00 -4.31 -0.07 0.00 0.00 0.00 0.00 53.44 49.06 1x9l n ALA 84 Cb 0.00 -0.93 -0.01 0.00 0.00 0.00 0.00 19.45 18.50 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 -1.53 -0.86 -1.43 0.00 0.00 0.69 -4.95 107.32 99.23 1x9l s GLY 85 Ca 0.31 -0.62 -0.09 0.00 0.00 0.00 0.00 44.72 44.33 1x9l s GLY 85 CO -0.12 3.40 2.70 -0.13 0.00 0.00 0.00 173.10 178.95 1x9l n MET 86 N 3.26 3.23 -4.52 2.90 1.56 -0.88 -3.56 117.12 119.11 1x9l n MET 86 Ca 0.18 -2.02 -0.24 0.00 -0.27 0.00 0.00 57.70 55.34 1x9l n MET 86 Cb 0.54 -2.74 -0.10 0.00 2.15 0.00 0.00 33.22 33.07 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 2.57 1.78 -1.41 2.12 -2.85 -1.26 -4.93 119.74 115.76 1x9l s LYS 87 Ca 0.61 -2.01 -0.15 0.00 -1.00 0.00 0.00 55.97 53.42 1x9l s LYS 87 Cb 0.16 -1.09 0.05 0.00 -2.06 0.00 0.00 37.83 34.89 1x9l s LYS 87 CO -0.05 -0.18 2.08 -1.33 0.10 0.00 0.00 175.35 175.97 1x9l n MET 88 N -0.81 2.97 -1.34 1.78 2.81 -1.26 -4.35 117.12 116.92 1x9l n MET 88 Ca -0.04 -2.82 -0.33 0.00 -1.81 0.00 0.00 57.70 52.70 1x9l n MET 88 Cb 0.67 -3.34 0.10 0.00 -0.71 0.00 0.00 33.22 29.93 1x9l n MET 88 CO 0.00 0.00 0.00 0.14 1.51 0.00 0.00 175.97 177.62 1x9l s VAL 89 N 3.42 2.50 0.56 2.03 -7.23 -1.12 -4.92 120.40 115.64 1x9l s VAL 89 Ca 0.49 0.22 0.28 0.00 -1.81 0.00 0.00 61.98 61.16 1x9l s VAL 89 Cb 0.11 -2.68 0.34 0.00 0.56 0.00 0.00 36.38 34.71 1x9l s VAL 89 CO -0.04 -0.15 2.22 1.55 -0.31 0.00 0.00 175.10 178.37 1x9l h PRO 90 N -0.59 0.00 -2.18 4.82 0.13 -1.92 -3.40 132.00 128.86 1x9l h PRO 90 Ca -0.46 0.00 0.32 0.00 -0.87 0.00 0.00 66.00 64.99 1x9l h PRO 90 Cb 1.28 0.00 -0.06 0.00 0.13 0.00 0.00 31.00 32.34 1x9l h PRO 90 CO 0.49 0.02 0.87 1.67 -0.23 0.00 0.00 178.00 180.82 1x9l s TRP 91 N -4.62 0.03 -0.34 1.56 -2.14 -1.26 -4.93 118.94 107.25 1x9l s TRP 91 Ca -0.05 -0.18 -0.02 0.00 2.66 0.00 0.00 56.10 58.51 1x9l s TRP 91 Cb 0.15 0.58 0.07 0.00 -3.10 0.00 0.00 33.47 31.16 1x9l s TRP 91 CO 0.57 -0.34 0.07 -0.48 -2.66 0.00 0.00 176.95 174.11 1x9l s LEU 92 N -3.77 4.36 0.47 -4.66 0.05 -1.26 -4.91 118.68 108.97 1x9l s LEU 92 Ca 0.29 -1.50 -0.20 0.00 0.05 0.00 0.00 54.13 52.77 1x9l s LEU 92 Cb -0.01 -1.76 -0.09 0.00 -2.05 0.00 0.00 46.19 42.28 1x9l s LEU 92 CO 0.00 -0.35 1.00 -0.89 -0.55 0.00 0.00 176.35 175.55 1x9l s THR 93 N 1.23 4.12 -0.59 5.48 2.01 -1.26 -4.58 115.64 122.05 1x9l s THR 93 Ca -0.00 1.27 0.01 0.00 0.31 0.00 0.00 61.69 63.28 1x9l s THR 93 Cb -0.21 -3.54 0.15 0.00 0.01 0.00 0.00 72.50 68.92 1x9l s THR 93 CO -0.02 -0.34 0.37 0.27 -0.69 0.00 0.00 174.62 174.21 1x9l s ILE 94 N -2.17 3.09 -1.19 1.82 -4.36 0.01 -4.25 121.20 114.15 1x9l s ILE 94 Ca 0.64 -3.32 -0.09 0.00 -0.26 0.00 0.00 60.65 57.62 1x9l s ILE 94 Cb -0.13 -3.07 -0.12 0.00 1.25 0.00 0.00 42.46 40.40 1x9l s ILE 94 CO 0.19 -0.86 3.00 -0.81 0.24 0.00 0.00 174.94 176.70 1x9l n PRO 95 N 3.09 3.13 -1.21 0.37 -0.04 -1.26 -0.93 135.00 138.16 1x9l n PRO 95 Ca 0.08 -1.84 0.07 0.00 -0.04 0.00 0.00 63.50 61.77 1x9l n PRO 95 Cb 0.34 -2.58 -0.04 0.00 -0.04 0.00 0.00 33.50 31.19 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 3.40 -2.35 -4.52 0.55 0.00 -1.10 -4.74 120.51 111.76 1x9l n ALA 96 Ca 0.67 0.57 -0.42 0.00 0.00 0.00 0.00 53.44 54.26 1x9l n ALA 96 Cb 0.37 -1.28 -0.08 0.00 0.00 0.00 0.00 19.45 18.46 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 -3.13 -0.83 -0.89 0.00 5.12 -1.26 -4.83 116.66 110.83 1x9l n ARG 97 Ca -0.04 0.15 -0.43 0.00 -1.93 0.00 0.00 57.85 55.60 1x9l n ARG 97 Cb 0.47 -4.74 -0.08 0.00 -1.16 0.00 0.00 32.46 26.96 1x9l n ARG 97 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1x9l n GLY 98 N -1.07 1.86 2.33 -0.13 0.00 -1.26 -4.70 105.19 102.22 1x9l n GLY 98 Ca 0.12 -1.12 -0.33 0.00 0.00 0.00 0.00 46.02 44.68 1x9l n GLY 98 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 1x9l n THR 99 N 6.28 4.26 -2.78 2.61 5.66 -1.26 -3.01 114.28 126.04 1x9l n THR 99 Ca 0.48 -2.99 -0.20 0.00 -3.05 0.00 0.00 64.05 58.29 1x9l n THR 99 Cb 0.40 -2.21 0.04 0.00 -1.55 0.00 0.00 70.33 67.00 1x9l n THR 99 CO 0.00 0.00 0.00 -1.48 -3.05 0.00 0.00 175.07 170.54 1x9l s LEU 100 N -0.88 3.34 -0.07 1.09 2.34 -0.82 -4.87 118.68 118.81 1x9l s LEU 100 Ca 0.63 -0.25 0.02 0.00 0.06 0.00 0.00 54.13 54.59 1x9l s LEU 100 Cb 0.23 -2.60 0.01 0.00 -0.56 0.00 0.00 46.19 43.28 1x9l s LEU 100 CO -0.08 -1.13 -0.12 0.28 -1.06 0.00 0.00 176.35 174.24 1x9l s THR 101 N -2.67 1.17 -0.32 5.48 -1.32 -1.26 -0.93 115.64 115.79 1x9l s THR 101 Ca 0.58 -0.49 0.03 0.00 -1.21 0.00 0.00 61.69 60.60 1x9l s THR 101 Cb -0.09 -1.07 0.09 0.00 -1.51 0.00 0.00 72.50 69.91 1x9l s THR 101 CO 0.37 0.37 0.02 -0.76 -2.21 0.00 0.00 174.62 172.41 1x9l s LEU 102 N 0.75 4.38 0.30 9.08 1.02 0.39 -2.39 118.68 132.22 1x9l s LEU 102 Ca -0.13 -1.87 -0.04 0.00 0.02 0.00 0.00 54.13 52.11 1x9l s LEU 102 Cb -0.16 -1.63 -0.01 0.00 0.02 0.00 0.00 46.19 44.41 1x9l s LEU 102 CO 0.03 -0.33 0.42 0.00 0.02 0.00 0.00 176.35 176.48 1x9l s GLN 103 N 1.01 1.71 0.27 1.70 0.00 -0.93 -0.68 119.66 122.74 1x9l s GLN 103 Ca 0.04 -1.63 -0.08 0.00 -0.00 0.00 0.00 55.36 53.69 1x9l s GLN 103 Cb -0.20 0.42 0.44 0.00 0.00 0.00 0.00 33.01 33.68 1x9l s GLN 103 CO -0.06 -0.69 1.53 0.54 0.00 0.00 0.00 175.29 176.61 1x9l n ARG 104 N -0.48 -0.09 -0.66 9.60 1.74 -1.26 -0.89 116.66 124.62 1x9l n ARG 104 Ca 0.01 1.53 0.08 0.00 -0.77 0.00 0.00 57.85 58.70 1x9l n ARG 104 Cb 0.62 -2.29 0.36 0.00 -1.02 0.00 0.00 32.46 30.13 1x9l n ARG 104 CO 0.00 0.00 0.00 -0.40 -1.52 0.00 0.00 177.63 175.71 1x9l n ASP 105 N -5.59 4.82 -3.84 0.55 5.75 -1.26 -4.97 116.55 112.01 1x9l n ASP 105 Ca 0.15 -2.54 -0.11 0.00 -0.01 0.00 0.00 54.79 52.28 1x9l n ASP 105 Cb 0.49 -0.60 -0.09 0.00 -1.03 0.00 0.00 41.12 39.89 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 -0.83 0.00 -0.75 6.12 0.00 -0.06 -4.71 107.32 107.08 1x9l s GLY 106 Ca 0.50 -0.10 -0.19 0.00 0.00 0.00 0.00 44.72 44.93 1x9l s GLY 106 CO 0.22 -0.26 1.92 1.22 0.00 0.00 0.00 173.10 176.19 1x9l n ASP 107 N 1.14 -0.13 -4.32 1.64 8.00 -1.00 -2.18 116.55 119.71 1x9l n ASP 107 Ca -0.21 -0.01 -0.25 0.00 0.71 0.00 0.00 54.79 55.04 1x9l n ASP 107 Cb 0.57 -0.61 -0.09 0.00 -0.02 0.00 0.00 41.12 40.96 1x9l n ASP 107 CO 0.00 0.00 0.00 -1.38 -0.39 0.00 0.00 177.20 175.43 1x9l s HIS 108 N 5.00 1.87 -0.35 1.24 -3.43 -1.10 -3.98 115.29 114.54 1x9l s HIS 108 Ca 1.01 -1.12 -0.05 0.00 -0.80 0.00 0.00 55.06 54.10 1x9l s HIS 108 Cb -0.86 -1.25 0.06 0.00 -1.43 0.00 0.00 32.58 29.09 1x9l s HIS 108 CO 0.38 -0.12 0.11 0.08 -2.00 0.00 0.00 174.74 173.19 1x9l s VAL 109 N -3.22 3.58 -0.64 -5.38 1.01 -1.25 -0.73 120.40 113.78 1x9l s VAL 109 Ca 0.27 -1.35 -0.25 0.00 0.00 0.00 0.00 61.98 60.65 1x9l s VAL 109 Cb 0.05 -3.11 0.04 0.00 0.00 0.00 0.00 36.38 33.36 1x9l s VAL 109 CO 0.14 -0.27 1.08 -0.04 0.00 0.00 0.00 175.10 176.01 1x9l s MET 110 N 1.33 3.26 -1.39 2.72 -1.94 0.76 -1.32 119.30 122.72 1x9l s MET 110 Ca -0.01 -0.33 -0.12 0.00 -1.71 0.00 0.00 55.69 53.52 1x9l s MET 110 Cb -0.20 -4.13 0.09 0.00 2.01 0.00 0.00 34.83 32.60 1x9l s MET 110 CO 0.01 -1.79 2.10 1.28 -0.01 0.00 0.00 175.02 176.61 1x9l n LEU 111 N 8.20 6.80 -4.83 -0.03 4.77 0.78 -0.44 117.00 132.25 1x9l n LEU 111 Ca 0.02 -4.33 -0.34 0.00 -0.03 0.00 0.00 56.01 51.33 1x9l n LEU 111 Cb 0.48 -1.59 -0.06 0.00 -2.33 0.00 0.00 43.42 39.91 1x9l n LEU 111 CO 0.67 1.21 0.50 -0.32 -1.33 0.00 0.00 177.39 178.13 1x9l s MET 112 N 2.13 4.16 0.00 3.23 1.75 -0.36 -3.57 119.30 126.64 1x9l s MET 112 Ca 0.44 0.88 0.00 0.00 -1.25 0.00 0.00 55.69 55.76 1x9l s MET 112 Cb 0.12 -2.48 0.00 0.00 2.84 0.00 0.00 34.83 35.32 1x9l s MET 112 CO -0.05 0.16 0.00 0.41 -0.65 0.00 0.00 175.02 174.89 1x9l n GLY 113 N -0.16 0.90 3.63 2.11 0.00 0.89 -0.04 105.19 112.52 1x9l n GLY 113 Ca 0.03 -0.32 -0.51 0.00 0.00 0.00 0.00 46.02 45.22 1x9l n GLY 113 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1x9l n LEU 114 N -1.38 2.23 0.00 0.99 0.00 0.48 -0.09 117.00 119.23 1x9l n LEU 114 Ca 0.00 1.09 0.00 0.00 0.00 0.00 0.00 56.01 57.10 1x9l n LEU 114 Cb 0.47 -1.26 0.00 0.00 0.00 0.00 0.00 43.42 42.63 1x9l n LEU 114 CO 0.00 -0.71 0.00 0.29 0.00 0.00 0.00 177.39 176.97 1x9l n LYS 115 N 3.40 0.00 -2.04 1.96 4.01 0.05 -4.87 118.16 120.67 1x9l n LYS 115 Ca 0.19 0.28 -0.31 0.00 -0.51 0.00 0.00 58.31 57.96 1x9l n LYS 115 Cb 0.21 -0.75 -0.00 0.00 -0.51 0.00 0.00 35.03 33.98 1x9l n LYS 115 CO 0.00 0.00 0.00 1.03 -1.11 0.00 0.00 177.40 177.32 1x9l s ARG 116 N -0.84 3.68 -1.12 1.97 3.00 -1.25 -4.94 118.95 119.45 1x9l s ARG 116 Ca 0.00 0.84 -0.20 0.00 0.00 0.00 0.00 55.73 56.38 1x9l s ARG 116 Cb 0.00 -2.09 -0.06 0.00 0.00 0.00 0.00 34.95 32.80 1x9l s ARG 116 CO 0.00 -0.50 1.97 -0.35 0.00 0.00 0.00 175.30 176.42 1x9l n PRO 117 N -2.36 2.14 -1.59 3.54 -0.04 -1.26 -4.95 135.00 130.49 1x9l n PRO 117 Ca 0.06 -2.41 -0.50 0.00 -0.04 0.00 0.00 63.50 60.61 1x9l n PRO 117 Cb 0.54 -3.28 -0.05 0.00 -0.04 0.00 0.00 33.50 30.67 1x9l n PRO 117 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 1x9l n LEU 118 N 8.79 1.68 -4.72 1.53 7.99 -1.26 -4.94 117.00 126.07 1x9l n LEU 118 Ca 0.49 1.13 -0.36 0.00 -0.01 0.00 0.00 56.01 57.26 1x9l n LEU 118 Cb 0.42 -1.22 -0.07 0.00 -0.11 0.00 0.00 43.42 42.44 1x9l n LEU 118 CO 0.88 -1.13 -0.02 -0.75 -1.51 0.00 0.00 177.39 174.87 1x9l s LYS 119 N 0.06 4.25 -0.40 3.23 2.20 -1.26 -4.53 119.74 123.29 1x9l s LYS 119 Ca 0.78 0.08 -0.29 0.00 -0.36 0.00 0.00 55.97 56.18 1x9l s LYS 119 Cb -0.89 -3.44 -0.08 0.00 -1.51 0.00 0.00 37.83 31.91 1x9l s LYS 119 CO 0.49 0.22 2.32 0.28 -0.36 0.00 0.00 175.35 178.30 1x9l n VAL 120 N 3.65 0.13 0.00 4.02 0.31 -1.25 -0.89 118.33 124.30 1x9l n VAL 120 Ca -0.12 -0.50 0.00 0.00 -0.01 0.00 0.00 64.34 63.71 1x9l n VAL 120 Cb 0.52 -2.29 0.00 0.00 -0.91 0.00 0.00 33.84 31.16 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 6.09 1.15 3.04 2.92 0.00 0.64 -4.99 105.19 114.05 1x9l n GLY 121 Ca 0.38 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 46.14 1x9l n GLY 121 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1x9l n GLU 122 N -0.20 -2.79 -3.66 1.61 1.02 -0.06 -4.85 120.64 111.69 1x9l n GLU 122 Ca 0.00 -1.52 -0.07 0.00 -0.02 0.00 0.00 57.16 55.55 1x9l n GLU 122 Cb 0.00 -1.41 -0.08 0.00 -0.02 0.00 0.00 31.44 29.93 1x9l n GLU 122 CO 0.00 0.00 0.00 0.99 1.18 0.00 0.00 177.13 179.30 1x9l s THR 123 N -2.74 -0.44 0.02 2.62 2.01 -1.26 -0.85 115.64 114.99 1x9l s THR 123 Ca 0.62 0.07 0.01 0.00 0.31 0.00 0.00 61.69 62.70 1x9l s THR 123 Cb -0.06 -0.81 -0.01 0.00 0.01 0.00 0.00 72.50 71.63 1x9l s THR 123 CO 0.47 0.03 -0.04 -0.69 -0.69 0.00 0.00 174.62 173.70 1x9l s VAL 124 N 2.18 0.27 0.06 3.82 1.01 0.06 -4.92 120.40 122.88 1x9l s VAL 124 Ca -0.06 -0.57 -0.30 0.00 0.00 0.00 0.00 61.98 61.04 1x9l s VAL 124 Cb -0.10 -0.31 -0.05 0.00 0.00 0.00 0.00 36.38 35.92 1x9l s VAL 124 CO -0.16 -0.20 1.17 0.20 0.00 0.00 0.00 175.10 176.11 1x9l s ASN 125 N -0.81 7.12 -0.23 3.32 0.01 -1.26 -0.61 114.94 122.48 1x9l s ASN 125 Ca -0.06 1.98 -0.07 0.00 -0.71 0.00 0.00 52.86 54.00 1x9l s ASN 125 Cb -0.06 -2.58 -0.03 0.00 0.41 0.00 0.00 41.25 39.00 1x9l s ASN 125 CO -0.00 -0.43 0.04 0.27 -1.51 0.00 0.00 177.10 175.47 1x9l s ILE 126 N 0.98 4.20 -0.27 0.60 -4.36 0.34 -4.49 121.20 118.19 1x9l s ILE 126 Ca 0.57 -0.22 -0.10 0.00 -0.26 0.00 0.00 60.65 60.64 1x9l s ILE 126 Cb -0.28 -2.94 -0.05 0.00 1.25 0.00 0.00 42.46 40.44 1x9l s ILE 126 CO 0.29 0.38 0.17 -0.89 0.24 0.00 0.00 174.94 175.13 1x9l s THR 127 N 1.35 5.12 0.40 8.37 2.01 0.44 -0.51 115.64 132.82 1x9l s THR 127 Ca 0.05 0.10 0.08 0.00 0.31 0.00 0.00 61.69 62.23 1x9l s THR 127 Cb -0.15 -3.43 -0.01 0.00 0.01 0.00 0.00 72.50 68.92 1x9l s THR 127 CO 0.03 0.27 0.46 -1.48 -0.69 0.00 0.00 174.62 173.20 1x9l s LEU 128 N 1.73 3.57 -0.31 4.42 0.05 0.01 0.09 118.68 128.24 1x9l s LEU 128 Ca 0.07 -0.54 -0.01 0.00 0.05 0.00 0.00 54.13 53.70 1x9l s LEU 128 Cb -0.16 -2.39 0.13 0.00 -2.05 0.00 0.00 46.19 41.72 1x9l s LEU 128 CO 0.10 -0.65 0.24 -0.54 -0.55 0.00 0.00 176.35 174.94 1x9l s LYS 129 N -4.21 0.37 0.01 1.48 1.02 -1.23 -1.99 119.74 115.19 1x9l s LYS 129 Ca 0.50 -0.60 -0.26 0.00 0.02 0.00 0.00 55.97 55.63 1x9l s LYS 129 Cb -0.07 -0.95 -0.04 0.00 -0.52 0.00 0.00 37.83 36.25 1x9l s LYS 129 CO 0.30 -1.09 0.82 0.00 -0.92 0.00 0.00 175.35 174.46 1x9l s ALA 130 N 1.89 3.30 -0.11 5.17 0.00 0.12 -0.57 121.76 131.56 1x9l s ALA 130 Ca 0.12 0.33 0.25 0.00 0.00 0.00 0.00 51.96 52.66 1x9l s ALA 130 Cb -0.16 -3.10 1.32 0.00 0.00 0.00 0.00 23.12 21.18 1x9l s ALA 130 CO -0.23 -0.06 1.76 0.00 0.00 0.00 0.00 175.76 177.22 1x9l h THR 131 N 4.45 0.00 0.00 0.00 1.03 -1.88 0.11 112.91 116.62 1x9l h THR 131 Ca -0.42 -0.02 -0.01 0.00 -0.01 0.00 0.00 66.41 65.94 1x9l h THR 131 Cb 1.21 0.59 -0.00 0.00 -1.07 0.00 0.00 68.15 68.88 1x9l h THR 131 CO 0.73 0.00 -0.04 0.44 -0.01 0.00 0.00 175.52 176.64 1x9l h ASP 132 N 0.00 0.00 0.00 0.00 3.32 -1.93 -3.46 116.42 114.35 1x9l h ASP 132 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1x9l h ASP 132 Cb 0.04 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.59 1x9l h ASP 132 CO 0.00 0.04 0.00 0.61 -1.72 0.00 0.00 179.24 178.17 1x9l n GLY 133 N -0.32 1.12 2.99 2.75 0.00 0.34 -5.05 105.19 107.02 1x9l n GLY 133 Ca -0.01 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.59 1x9l n GLY 133 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1x9l n ARG 134 N 0.00 3.02 -2.74 1.61 1.74 -1.05 -4.84 116.66 114.41 1x9l n ARG 134 Ca 0.00 -2.90 -0.43 0.00 -0.77 0.00 0.00 57.85 53.76 1x9l n ARG 134 Cb 0.00 -3.31 -0.03 0.00 -1.02 0.00 0.00 32.46 28.10 1x9l n ARG 134 CO 0.00 0.00 0.00 0.99 -1.52 0.00 0.00 177.63 177.10 1x9l s THR 135 N 3.20 4.27 -0.05 0.55 2.01 -1.26 -0.70 115.64 123.66 1x9l s THR 135 Ca 0.48 0.64 -0.25 0.00 0.31 0.00 0.00 61.69 62.87 1x9l s THR 135 Cb 0.10 -4.58 0.05 0.00 0.01 0.00 0.00 72.50 68.08 1x9l s THR 135 CO -0.03 -1.12 0.54 -0.22 -0.69 0.00 0.00 174.62 173.10 1x9l s LEU 136 N 4.27 -0.10 -0.16 4.42 2.96 -0.84 -5.00 118.68 124.23 1x9l s LEU 136 Ca 0.37 0.52 -0.05 0.00 -0.22 0.00 0.00 54.13 54.75 1x9l s LEU 136 Cb -0.10 2.06 -0.03 0.00 0.50 0.00 0.00 46.19 48.62 1x9l s LEU 136 CO 0.24 -0.53 0.02 0.54 -1.32 0.00 0.00 176.35 175.29 1x9l s ASN 137 N -1.15 5.25 -0.09 3.68 4.22 -1.26 -0.81 114.94 124.78 1x9l s ASN 137 Ca -0.11 0.00 0.00 0.00 -2.14 0.00 0.00 52.86 50.61 1x9l s ASN 137 Cb -0.02 -1.84 0.02 0.00 1.28 0.00 0.00 41.25 40.69 1x9l s ASN 137 CO 0.07 0.20 -0.06 -0.69 -2.04 0.00 0.00 177.10 174.58 1x9l s VAL 138 N 0.23 0.85 -0.51 3.54 1.01 0.33 -4.96 120.40 120.89 1x9l s VAL 138 Ca 0.01 -0.22 -0.27 0.00 0.00 0.00 0.00 61.98 61.51 1x9l s VAL 138 Cb -0.13 -0.88 0.03 0.00 0.00 0.00 0.00 36.38 35.40 1x9l s VAL 138 CO 0.02 0.33 1.05 0.00 0.00 0.00 0.00 175.10 176.49 1x9l s ALA 139 N 1.48 3.14 -0.05 5.51 0.00 -1.26 -0.51 121.76 130.08 1x9l s ALA 139 Ca -0.00 -0.81 -0.06 0.00 0.00 0.00 0.00 51.96 51.09 1x9l s ALA 139 Cb -0.13 -3.82 -0.04 0.00 0.00 0.00 0.00 23.12 19.12 1x9l s ALA 139 CO -0.05 -2.32 0.20 0.00 0.00 0.00 0.00 175.76 173.59 1x9l s ALA 140 N 4.27 3.89 -0.08 0.00 0.00 0.22 -4.69 121.76 125.37 1x9l s ALA 140 Ca 0.40 -0.65 -0.28 0.00 0.00 0.00 0.00 51.96 51.44 1x9l s ALA 140 Cb -0.09 -1.98 -0.02 0.00 0.00 0.00 0.00 23.12 21.02 1x9l s ALA 140 CO 0.26 0.66 0.90 0.99 0.00 0.00 0.00 175.76 178.58 1x9l s THR 141 N -1.20 4.88 -0.87 0.00 2.01 0.14 -0.76 115.64 119.85 1x9l s THR 141 Ca 0.23 1.84 -0.19 0.00 0.31 0.00 0.00 61.69 63.88 1x9l s THR 141 Cb -0.13 -4.22 0.12 0.00 0.01 0.00 0.00 72.50 68.28 1x9l s THR 141 CO 0.12 0.10 1.07 -0.69 -0.69 0.00 0.00 174.62 174.53 1x9l s VAL 142 N 1.52 4.71 -0.25 3.82 1.01 -0.03 -0.55 120.40 130.63 1x9l s VAL 142 Ca 0.45 -1.41 -0.23 0.00 0.00 0.00 0.00 61.98 60.79 1x9l s VAL 142 Cb -0.19 -4.74 0.07 0.00 0.00 0.00 0.00 36.38 31.52 1x9l s VAL 142 CO 0.20 -1.46 0.67 -1.59 0.00 0.00 0.00 175.10 172.92 1x9l s LYS 143 N 2.78 0.78 0.56 2.72 -2.85 0.57 -0.26 119.74 124.05 1x9l s LYS 143 Ca 0.29 0.93 -0.17 0.00 -1.00 0.00 0.00 55.97 56.03 1x9l s LYS 143 Cb -0.08 0.38 -0.05 0.00 -2.06 0.00 0.00 37.83 36.03 1x9l s LYS 143 CO -0.06 -0.09 1.06 -1.59 0.10 0.00 0.00 175.35 174.77 1x9l s LYS 144 N 0.35 3.44 -0.07 1.78 -2.85 -1.24 -4.00 119.74 117.15 1x9l s LYS 144 Ca -0.00 1.28 -0.07 0.00 -1.00 0.00 0.00 55.97 56.17 1x9l s LYS 144 Cb -0.05 -2.05 0.02 0.00 -2.06 0.00 0.00 37.83 33.70 1x9l s LYS 144 CO 0.01 -0.72 0.20 -0.80 0.10 0.00 0.00 175.35 174.14 1x9l s ASN 145 N -2.50 -0.19 -1.48 0.03 0.01 -1.26 -4.85 114.94 104.71 1x9l s ASN 145 Ca 0.65 0.34 -0.16 0.00 -0.71 0.00 0.00 52.86 52.99 1x9l s ASN 145 Cb -0.17 0.39 0.14 0.00 0.41 0.00 0.00 41.25 42.03 1x9l s ASN 145 CO 0.32 -0.10 0.58 2.30 -1.51 0.00 0.00 177.10 178.69 1x9l n ILE 146 N 2.81 -0.62 -3.34 0.60 -5.35 0.13 -4.92 119.36 108.68 1x9l n ILE 146 Ca -0.14 0.00 -0.13 0.00 -0.27 0.00 0.00 62.75 62.22 1x9l n ILE 146 Cb 0.58 -1.21 -0.07 0.00 -1.74 0.00 0.00 39.64 37.20 1x9l n ILE 146 CO 0.00 0.00 0.00 -0.70 -1.76 0.00 0.00 176.55 174.09 1x9l s GLU 147 N -6.59 0.52 0.00 6.28 2.56 -1.26 -4.86 118.70 115.35 1x9l s GLU 147 Ca 0.61 -0.35 0.00 0.00 0.00 0.00 0.00 54.97 55.23 1x9l s GLU 147 Cb -0.34 -0.50 0.00 0.00 2.00 0.00 0.00 34.13 35.29 1x9l s GLU 147 CO 0.75 -1.11 0.00 0.41 -0.56 0.00 0.00 175.26 174.75 1x9l n GLY 148 N 4.82 1.41 0.00 -1.50 0.00 -1.26 -4.90 105.19 103.76 1x9l n GLY 148 Ca 0.05 -0.03 0.00 0.00 0.00 0.00 0.00 46.02 46.05 1x9l n GLY 148 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86