#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3g9a s GLN 3 N 0.00 2.72 -0.09 5.55 -1.52 -1.26 -4.92 119.66 120.14 3g9a s GLN 3 Ca 0.00 -0.59 0.03 0.00 -1.95 0.00 0.00 55.36 52.85 3g9a s GLN 3 Cb 0.00 -2.60 -0.01 0.00 -0.22 0.00 0.00 33.01 30.18 3g9a s GLN 3 CO 0.00 0.65 -0.18 -0.51 -0.25 0.00 0.00 175.29 175.00 3g9a s LEU 4 N -1.10 2.48 -0.18 2.90 1.43 -1.26 -1.33 118.68 121.63 3g9a s LEU 4 Ca 0.15 -0.37 -0.01 0.00 -1.03 0.00 0.00 54.13 52.87 3g9a s LEU 4 Cb -0.11 -1.51 0.05 0.00 0.03 0.00 0.00 46.19 44.64 3g9a s LEU 4 CO 0.04 0.22 -0.04 -1.10 0.23 0.00 0.00 176.35 175.71 3g9a s GLN 5 N -0.01 1.33 0.38 1.70 -0.21 -0.42 -4.30 119.66 118.13 3g9a s GLN 5 Ca -0.06 -0.55 -0.19 0.00 0.02 0.00 0.00 55.36 54.59 3g9a s GLN 5 Cb -0.15 -2.06 -0.10 0.00 1.00 0.00 0.00 33.01 31.70 3g9a s GLN 5 CO 0.05 -0.48 0.87 -1.21 -2.12 0.00 0.00 175.29 172.40 3g9a s GLU 6 N 1.64 4.16 0.27 2.91 8.01 -1.26 -1.46 118.70 132.98 3g9a s GLU 6 Ca -0.00 0.96 -0.11 0.00 0.01 0.00 0.00 54.97 55.83 3g9a s GLU 6 Cb -0.16 -2.31 -0.00 0.00 -4.31 0.00 0.00 34.13 27.35 3g9a s GLU 6 CO -0.07 0.06 0.49 -1.54 0.01 0.00 0.00 175.26 174.21 3g9a s SER 7 N -2.18 0.12 0.00 -0.19 1.04 0.34 -4.93 113.70 107.91 3g9a s SER 7 Ca 0.58 -1.07 0.00 0.00 0.48 0.00 0.00 55.95 55.95 3g9a s SER 7 Cb -0.10 0.61 0.00 0.00 0.10 0.00 0.00 66.02 66.63 3g9a s SER 7 CO 0.15 -1.20 0.00 0.61 0.98 0.00 0.00 173.24 173.78 3g9a n GLY 8 N -0.42 0.77 0.00 7.32 0.00 -1.26 -1.11 105.19 110.48 3g9a n GLY 8 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.01 3g9a n GLY 8 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3g9a n GLY 9 N -2.38 1.00 0.00 -0.02 0.00 -1.26 -4.35 105.19 98.17 3g9a n GLY 9 Ca 0.00 -1.69 0.00 0.00 0.00 0.00 0.00 46.02 44.33 3g9a n GLY 9 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3g9a n GLY 10 N 5.00 -0.32 3.87 -0.02 0.00 0.55 -5.00 105.19 109.26 3g9a n GLY 10 Ca 0.00 -2.10 -0.33 0.00 0.00 0.00 0.00 46.02 43.59 3g9a n GLY 10 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3g9a s SER 11 N -4.00 6.68 -0.10 1.61 0.01 -1.26 -1.49 113.70 115.15 3g9a s SER 11 Ca 0.00 0.97 -0.26 0.00 1.31 0.00 0.00 55.95 57.97 3g9a s SER 11 Cb 0.00 -2.25 0.06 0.00 0.21 0.00 0.00 66.02 64.04 3g9a s SER 11 CO 0.00 -0.04 0.62 0.54 0.41 0.00 0.00 173.24 174.77 3g9a s VAL 12 N -1.74 0.01 0.38 3.43 0.11 -0.64 -4.93 120.40 117.02 3g9a s VAL 12 Ca 0.45 -0.07 -0.25 0.00 -2.93 0.00 0.00 61.98 59.19 3g9a s VAL 12 Cb -0.12 -0.91 -0.09 0.00 -1.53 0.00 0.00 36.38 33.73 3g9a s VAL 12 CO 0.20 -0.04 1.07 -1.10 -3.33 0.00 0.00 175.10 171.91 3g9a s GLN 13 N -0.77 4.20 0.27 1.54 -0.21 -1.26 -1.08 119.66 122.36 3g9a s GLN 13 Ca -0.08 1.60 -0.30 0.00 0.02 0.00 0.00 55.36 56.59 3g9a s GLN 13 Cb -0.02 -2.64 -0.13 0.00 1.00 0.00 0.00 33.01 31.22 3g9a s GLN 13 CO 0.07 -0.13 1.40 0.00 -2.12 0.00 0.00 175.29 174.50 3g9a n ALA 14 N 0.10 1.34 -0.01 6.09 0.00 0.47 -1.05 120.51 127.46 3g9a n ALA 14 Ca 0.04 0.39 0.00 0.00 0.00 0.00 0.00 53.44 53.87 3g9a n ALA 14 Cb 0.48 -2.29 0.00 0.00 0.00 0.00 0.00 19.45 17.64 3g9a n ALA 14 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3g9a n GLY 15 N 1.77 0.93 1.23 0.00 0.00 0.47 -4.93 105.19 104.66 3g9a n GLY 15 Ca 0.09 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 46.03 3g9a n GLY 15 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3g9a n GLY 16 N -2.00 -0.16 3.15 -0.02 0.00 -0.21 -4.11 105.19 101.84 3g9a n GLY 16 Ca 0.00 -1.85 -0.13 0.00 0.00 0.00 0.00 46.02 44.04 3g9a n GLY 16 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3g9a s SER 17 N -2.40 1.25 -0.05 1.61 1.04 -1.26 -1.37 113.70 112.51 3g9a s SER 17 Ca 0.22 -0.81 -0.11 0.00 0.48 0.00 0.00 55.95 55.73 3g9a s SER 17 Cb -0.01 0.04 0.02 0.00 0.10 0.00 0.00 66.02 66.17 3g9a s SER 17 CO 0.15 -0.30 0.26 -0.76 0.98 0.00 0.00 173.24 173.56 3g9a s LEU 18 N -2.43 1.06 -0.28 2.42 1.43 -0.56 -5.01 118.68 115.31 3g9a s LEU 18 Ca 0.04 0.21 -0.00 0.00 -1.03 0.00 0.00 54.13 53.34 3g9a s LEU 18 Cb -0.02 1.00 0.05 0.00 0.03 0.00 0.00 46.19 47.25 3g9a s LEU 18 CO -0.01 -0.29 -0.04 -0.60 0.23 0.00 0.00 176.35 175.64 3g9a s ARG 19 N -0.74 2.42 0.26 1.70 3.52 -1.26 -0.31 118.95 124.53 3g9a s ARG 19 Ca -0.08 -1.26 -0.26 0.00 -0.13 0.00 0.00 55.73 54.00 3g9a s ARG 19 Cb -0.04 -3.08 -0.09 0.00 -1.56 0.00 0.00 34.95 30.18 3g9a s ARG 19 CO 0.02 -0.58 0.88 -0.51 -0.81 0.00 0.00 175.30 174.30 3g9a s LEU 20 N 1.22 4.47 0.09 -0.88 1.43 -0.14 -4.52 118.68 120.34 3g9a s LEU 20 Ca -0.06 1.77 0.08 0.00 -1.03 0.00 0.00 54.13 54.90 3g9a s LEU 20 Cb -0.19 -3.72 -0.03 0.00 0.03 0.00 0.00 46.19 42.27 3g9a s LEU 20 CO -0.03 0.05 -0.22 -0.44 0.23 0.00 0.00 176.35 175.95 3g9a s SER 21 N -1.43 2.63 -0.08 2.29 0.01 -0.27 -1.02 113.70 115.82 3g9a s SER 21 Ca 0.44 -0.65 -0.02 0.00 1.31 0.00 0.00 55.95 57.03 3g9a s SER 21 Cb -0.21 -0.17 0.04 0.00 0.21 0.00 0.00 66.02 65.89 3g9a s SER 21 CO 0.26 0.10 0.04 0.00 0.41 0.00 0.00 173.24 174.05 3g9a s ALA 23 N 2.06 3.45 -0.04 0.00 0.00 -0.54 -1.41 121.76 125.29 3g9a s ALA 23 Ca 0.04 -0.74 -0.03 0.00 0.00 0.00 0.00 51.96 51.23 3g9a s ALA 23 Cb -0.13 -1.89 -0.04 0.00 0.00 0.00 0.00 23.12 21.06 3g9a s ALA 23 CO -0.05 0.26 0.14 0.00 0.00 0.00 0.00 175.76 176.11 3g9a s ALA 24 N 0.11 3.82 0.47 0.00 0.00 -0.49 -1.31 121.76 124.36 3g9a s ALA 24 Ca 0.05 -0.77 -0.05 0.00 0.00 0.00 0.00 51.96 51.20 3g9a s ALA 24 Cb -0.12 -1.81 -0.03 0.00 0.00 0.00 0.00 23.12 21.16 3g9a s ALA 24 CO 0.01 0.70 0.76 -1.54 0.00 0.00 0.00 175.76 175.69 3g9a s SER 25 N -1.64 6.24 0.00 0.00 1.04 -0.44 -4.89 113.70 114.01 3g9a s SER 25 Ca 0.23 0.87 0.00 0.00 0.48 0.00 0.00 55.95 57.52 3g9a s SER 25 Cb -0.12 -2.20 0.00 0.00 0.10 0.00 0.00 66.02 63.80 3g9a s SER 25 CO 0.13 -0.57 0.00 0.61 0.98 0.00 0.00 173.24 174.40 3g9a n GLY 26 N -2.22 -1.83 0.50 7.32 0.00 -1.26 -4.52 105.19 103.19 3g9a n GLY 26 Ca 0.00 -1.86 0.07 0.00 0.00 0.00 0.00 46.02 44.22 3g9a n GLY 26 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3g9a n ASP 27 N 0.31 1.75 -0.22 1.61 5.75 -1.26 -4.77 116.55 119.71 3g9a n ASP 27 Ca 0.00 -3.32 0.08 0.00 -0.01 0.00 0.00 54.79 51.54 3g9a n ASP 27 Cb 0.00 -0.45 0.13 0.00 -1.03 0.00 0.00 41.12 39.77 3g9a n ASP 27 CO 0.00 0.00 0.00 0.35 -0.11 0.00 0.00 177.20 177.44 3g9a n THR 28 N -1.00 1.72 -0.03 2.12 -2.24 -1.26 -4.90 114.28 108.69 3g9a n THR 28 Ca 0.15 -2.17 -0.11 0.00 -2.27 0.00 0.00 64.05 59.65 3g9a n THR 28 Cb 0.72 -0.14 -0.06 0.00 -2.10 0.00 0.00 70.33 68.75 3g9a n THR 28 CO 0.00 0.00 0.00 0.15 -0.57 0.00 0.00 175.07 174.65 3g9a h PHE 29 N 0.17 0.20 0.00 4.78 3.57 -1.90 -3.31 116.94 120.44 3g9a h PHE 29 Ca -0.00 -0.02 -0.01 0.00 3.53 0.00 0.00 57.97 61.47 3g9a h PHE 29 Cb 1.06 -0.06 -0.00 0.00 2.79 0.00 0.00 35.95 39.74 3g9a h PHE 29 CO 0.13 0.31 -0.03 0.66 -2.23 0.00 0.00 178.31 177.15 3g9a h SER 30 N 0.03 0.00 1.14 0.41 4.64 -1.90 -0.67 113.55 117.20 3g9a h SER 30 Ca 0.04 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.36 3g9a h SER 30 Cb 0.20 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.29 3g9a h SER 30 CO -0.00 0.03 -0.09 -1.54 -0.87 0.00 0.00 176.83 174.35 3g9a n SER 31 N -3.88 0.43 -4.78 4.97 3.41 -1.25 -4.84 113.62 107.67 3g9a n SER 31 Ca -0.03 0.44 -0.39 0.00 -0.26 0.00 0.00 58.87 58.63 3g9a n SER 31 Cb 0.11 -0.50 -0.06 0.00 -0.26 0.00 0.00 64.21 63.50 3g9a n SER 31 CO 0.00 0.00 0.00 -0.31 -0.16 0.00 0.00 175.04 174.57 3g9a s TYR 32 N -3.05 3.86 0.13 7.33 2.02 -0.26 -4.79 117.35 122.59 3g9a s TYR 32 Ca 0.12 1.59 -0.29 0.00 -0.37 0.00 0.00 57.07 58.12 3g9a s TYR 32 Cb 0.16 -2.74 -0.07 0.00 -0.40 0.00 0.00 41.96 38.92 3g9a s TYR 32 CO 0.59 0.49 0.90 -1.12 -1.57 0.00 0.00 175.55 174.84 3g9a s SER 33 N -1.23 7.46 0.12 2.29 0.01 -0.22 -4.24 113.70 117.88 3g9a s SER 33 Ca 0.37 1.74 0.09 0.00 1.31 0.00 0.00 55.95 59.45 3g9a s SER 33 Cb -0.22 -2.56 -0.04 0.00 0.21 0.00 0.00 66.02 63.41 3g9a s SER 33 CO 0.25 0.02 -0.16 -0.04 0.41 0.00 0.00 173.24 173.72 3g9a s MET 34 N -0.34 1.85 0.03 12.44 1.00 -0.29 -1.20 119.30 132.78 3g9a s MET 34 Ca 0.43 -1.16 -0.10 0.00 0.00 0.00 0.00 55.69 54.86 3g9a s MET 34 Cb -0.23 -2.15 0.01 0.00 0.00 0.00 0.00 34.83 32.46 3g9a s MET 34 CO 0.29 0.48 0.21 0.00 0.00 0.00 0.00 175.02 176.00 3g9a s ALA 35 N -1.18 -0.44 -0.14 3.03 0.00 -0.50 -0.68 121.76 121.85 3g9a s ALA 35 Ca 0.19 -0.15 0.00 0.00 0.00 0.00 0.00 51.96 52.00 3g9a s ALA 35 Cb -0.11 0.23 -0.01 0.00 0.00 0.00 0.00 23.12 23.23 3g9a s ALA 35 CO 0.11 -0.33 -0.14 -1.58 0.00 0.00 0.00 175.76 173.82 3g9a s TRP 36 N -2.20 2.79 0.23 0.00 0.52 -0.39 -1.27 118.94 118.62 3g9a s TRP 36 Ca -0.08 -0.80 0.09 0.00 0.02 0.00 0.00 56.10 55.33 3g9a s TRP 36 Cb -0.03 -1.86 -0.04 0.00 -1.15 0.00 0.00 33.47 30.39 3g9a s TRP 36 CO -0.02 -0.32 -0.02 -0.06 0.02 0.00 0.00 176.95 176.56 3g9a s PHE 37 N 0.54 2.72 -0.02 -1.98 0.08 0.11 -0.76 117.98 118.66 3g9a s PHE 37 Ca -0.09 -0.20 -0.07 0.00 0.12 0.00 0.00 56.93 56.68 3g9a s PHE 37 Cb -0.16 -1.25 0.01 0.00 -0.57 0.00 0.00 43.02 41.05 3g9a s PHE 37 CO 0.04 0.58 0.15 -0.98 -0.10 0.00 0.00 175.22 174.91 3g9a s ARG 38 N -3.38 0.41 -0.03 0.44 1.70 0.43 -0.40 118.95 118.11 3g9a s ARG 38 Ca 0.29 -0.20 -0.01 0.00 -0.47 0.00 0.00 55.73 55.34 3g9a s ARG 38 Cb -0.07 0.17 0.03 0.00 -0.57 0.00 0.00 34.95 34.51 3g9a s ARG 38 CO 0.19 -0.09 0.05 -1.14 -1.08 0.00 0.00 175.30 173.23 3g9a s GLN 39 N -0.94 -0.06 0.26 3.89 0.74 -0.37 -0.75 119.66 122.44 3g9a s GLN 39 Ca -0.10 0.32 -0.01 0.00 0.05 0.00 0.00 55.36 55.61 3g9a s GLN 39 Cb -0.06 -0.40 -0.04 0.00 1.10 0.00 0.00 33.01 33.61 3g9a s GLN 39 CO 0.01 -0.27 0.46 0.00 -0.55 0.00 0.00 175.29 174.95 3g9a s ALA 40 N 1.75 3.75 0.13 1.58 0.00 -1.26 -1.57 121.76 126.14 3g9a s ALA 40 Ca -0.01 -0.79 -0.35 0.00 0.00 0.00 0.00 51.96 50.81 3g9a s ALA 40 Cb -0.12 -2.09 -0.15 0.00 0.00 0.00 0.00 23.12 20.76 3g9a s ALA 40 CO -0.03 0.28 1.49 -0.35 0.00 0.00 0.00 175.76 177.15 3g9a n PRO 41 N -0.99 1.76 -0.99 0.00 -0.04 -1.26 -2.21 135.00 131.27 3g9a n PRO 41 Ca -0.04 0.64 0.00 0.00 -0.04 0.00 0.00 63.50 64.05 3g9a n PRO 41 Cb 0.54 -2.36 0.00 0.00 -0.04 0.00 0.00 33.50 31.65 3g9a n PRO 41 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3g9a n GLY 42 N 3.08 0.46 3.48 0.55 0.00 -1.26 -5.01 105.19 106.49 3g9a n GLY 42 Ca 0.18 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.96 3g9a n GLY 42 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3g9a s LYS 43 N -0.35 1.69 0.53 1.61 1.02 -0.94 -5.12 119.74 118.19 3g9a s LYS 43 Ca 0.00 -1.80 -0.21 0.00 0.02 0.00 0.00 55.97 53.98 3g9a s LYS 43 Cb 0.00 -1.69 -0.05 0.00 -0.52 0.00 0.00 37.83 35.56 3g9a s LYS 43 CO 0.00 0.26 1.22 -1.21 -0.92 0.00 0.00 175.35 174.71 3g9a s GLU 44 N -3.55 3.30 0.53 1.68 2.02 -1.26 -4.69 118.70 116.73 3g9a s GLU 44 Ca 0.30 1.89 -0.21 0.00 0.02 0.00 0.00 54.97 56.97 3g9a s GLU 44 Cb -0.03 -2.17 -0.06 0.00 0.10 0.00 0.00 34.13 31.98 3g9a s GLU 44 CO 0.15 -0.96 1.21 0.00 0.02 0.00 0.00 175.26 175.68 3g9a s GLU 46 N -3.01 2.06 -0.49 0.00 2.12 0.07 -1.03 118.70 118.43 3g9a s GLU 46 Ca 0.71 -0.60 -0.25 0.00 0.36 0.00 0.00 54.97 55.19 3g9a s GLU 46 Cb -0.31 -1.68 0.03 0.00 0.26 0.00 0.00 34.13 32.43 3g9a s GLU 46 CO 0.36 0.14 0.92 -1.17 -0.54 0.00 0.00 175.26 174.97 3g9a s LEU 47 N 0.36 4.04 -0.04 2.70 0.20 0.17 -0.43 118.68 125.68 3g9a s LEU 47 Ca -0.12 -0.02 0.14 0.00 0.69 0.00 0.00 54.13 54.82 3g9a s LEU 47 Cb -0.15 -3.08 -0.22 0.00 -0.43 0.00 0.00 46.19 42.31 3g9a s LEU 47 CO 0.04 -1.09 0.62 1.33 -0.29 0.00 0.00 176.35 176.96 3g9a n VAL 48 N 6.35 1.49 -3.61 1.68 0.24 0.06 -1.34 118.33 123.20 3g9a n VAL 48 Ca 0.05 -0.78 -0.15 0.00 -2.04 0.00 0.00 64.34 61.41 3g9a n VAL 48 Cb 0.48 -0.91 -0.07 0.00 -1.47 0.00 0.00 33.84 31.87 3g9a n VAL 48 CO 0.00 0.00 0.00 -0.55 -2.14 0.00 0.00 176.83 174.14 3g9a s SER 49 N -5.95 -0.65 0.11 -1.34 0.15 -1.14 -0.86 113.70 104.03 3g9a s SER 49 Ca -0.05 1.04 0.10 0.00 0.70 0.00 0.00 55.95 57.74 3g9a s SER 49 Cb 0.08 1.00 -0.04 0.00 -1.71 0.00 0.00 66.02 65.35 3g9a s SER 49 CO 0.82 -0.38 -0.24 0.20 1.20 0.00 0.00 173.24 174.85 3g9a s ASN 50 N -0.30 2.92 -0.21 5.45 0.01 -0.78 -1.26 114.94 120.77 3g9a s ASN 50 Ca -0.05 -0.71 -0.01 0.00 -0.71 0.00 0.00 52.86 51.38 3g9a s ASN 50 Cb -0.03 -0.18 0.06 0.00 0.41 0.00 0.00 41.25 41.51 3g9a s ASN 50 CO 0.04 0.12 -0.00 -0.51 -1.51 0.00 0.00 177.10 175.24 3g9a s ILE 51 N -1.10 0.94 0.94 0.60 2.07 0.14 -2.20 121.20 122.58 3g9a s ILE 51 Ca 0.10 -0.82 -0.13 0.00 -1.41 0.00 0.00 60.65 58.38 3g9a s ILE 51 Cb -0.10 -1.34 0.15 0.00 0.13 0.00 0.00 42.46 41.30 3g9a s ILE 51 CO 0.05 -0.16 1.17 -0.76 -1.91 0.00 0.00 174.94 173.33 3g9a s LEU 52 N 1.67 2.04 0.25 8.50 1.43 -0.19 -1.13 118.68 131.25 3g9a s LEU 52 Ca -0.03 0.80 -0.03 0.00 -1.03 0.00 0.00 54.13 53.84 3g9a s LEU 52 Cb -0.18 -3.05 0.42 0.00 0.03 0.00 0.00 46.19 43.41 3g9a s LEU 52 CO -0.07 -2.66 1.83 -0.09 0.23 0.00 0.00 176.35 175.59 3g9a h ARG 53 N -1.57 0.89 0.00 1.70 2.43 -1.87 -1.45 114.38 114.51 3g9a h ARG 53 Ca -0.48 -0.05 0.00 0.00 -0.81 0.00 0.00 59.98 58.63 3g9a h ARG 53 Cb 1.31 -0.20 0.00 0.00 -0.42 0.00 0.00 29.97 30.66 3g9a h ARG 53 CO 0.56 0.59 0.00 -0.40 -1.51 0.00 0.00 179.97 179.21 3g9a n ASP 54 N -4.67 0.00 0.00 -3.80 5.68 -1.26 -4.86 116.55 107.64 3g9a n ASP 54 Ca 0.15 -0.97 0.00 0.00 -0.50 0.00 0.00 54.79 53.46 3g9a n ASP 54 Cb 0.26 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.24 3g9a n ASP 54 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3g9a n GLY 55 N 0.66 0.66 3.73 6.12 0.00 -0.55 -5.05 105.19 110.77 3g9a n GLY 55 Ca 0.18 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.78 3g9a n GLY 55 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3g9a s THR 56 N -2.19 2.23 0.02 2.61 2.01 -1.26 -4.62 115.64 114.43 3g9a s THR 56 Ca 0.00 0.18 0.05 0.00 0.31 0.00 0.00 61.69 62.22 3g9a s THR 56 Cb 0.00 -3.11 -0.03 0.00 0.01 0.00 0.00 72.50 69.36 3g9a s THR 56 CO 0.00 0.02 -0.11 0.42 -0.69 0.00 0.00 174.62 174.26 3g9a s THR 57 N 0.61 3.33 0.06 -0.82 -4.23 -1.26 -1.02 115.64 112.31 3g9a s THR 57 Ca 0.68 -0.95 0.01 0.00 -1.18 0.00 0.00 61.69 60.24 3g9a s THR 57 Cb -0.47 -2.45 -0.03 0.00 1.34 0.00 0.00 72.50 70.89 3g9a s THR 57 CO 0.39 0.35 -0.05 0.42 -0.54 0.00 0.00 174.62 175.19 3g9a s THR 58 N -0.99 0.41 -0.04 3.99 -4.23 -0.94 -4.98 115.64 108.86 3g9a s THR 58 Ca 0.17 -1.59 -0.04 0.00 -1.18 0.00 0.00 61.69 59.06 3g9a s THR 58 Cb -0.11 -1.22 0.01 0.00 1.34 0.00 0.00 72.50 72.52 3g9a s THR 58 CO 0.07 -0.78 0.11 -0.31 -0.54 0.00 0.00 174.62 173.17 3g9a s TYR 59 N -3.01 -0.12 0.51 3.99 2.02 -1.26 -1.86 117.35 117.63 3g9a s TYR 59 Ca 0.02 0.29 -0.23 0.00 -0.37 0.00 0.00 57.07 56.79 3g9a s TYR 59 Cb 0.01 0.03 -0.06 0.00 -0.40 0.00 0.00 41.96 41.53 3g9a s TYR 59 CO -0.05 -0.06 1.29 0.00 -1.57 0.00 0.00 175.55 175.16 3g9a n ALA 60 N 3.13 1.37 -0.19 3.71 0.00 -0.04 -4.77 120.51 123.72 3g9a n ALA 60 Ca -0.14 0.16 0.15 0.00 0.00 0.00 0.00 53.44 53.62 3g9a n ALA 60 Cb 0.59 -2.30 0.49 0.00 0.00 0.00 0.00 19.45 18.22 3g9a n ALA 60 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 3g9a h GLY 61 N 1.56 0.80 2.00 0.00 0.00 -1.94 -1.92 103.07 103.57 3g9a h GLY 61 Ca -0.50 -0.20 0.00 0.00 0.00 0.00 0.00 47.33 46.64 3g9a h GLY 61 CO 0.57 0.06 0.00 -1.14 0.00 0.00 0.00 176.54 176.03 3g9a n SER 62 N -4.49 0.69 -0.01 0.19 3.41 -1.26 -3.25 113.62 108.90 3g9a n SER 62 Ca 0.15 0.64 0.02 0.00 -0.26 0.00 0.00 58.87 59.42 3g9a n SER 62 Cb 0.54 -0.80 -0.02 0.00 -0.26 0.00 0.00 64.21 63.67 3g9a n SER 62 CO 0.00 0.00 0.00 1.33 -0.16 0.00 0.00 175.04 176.21 3g9a n VAL 63 N -2.23 0.00 -1.63 -3.33 0.24 -0.77 -4.96 118.33 105.65 3g9a n VAL 63 Ca 0.03 -0.42 -0.49 0.00 -2.04 0.00 0.00 64.34 61.42 3g9a n VAL 63 Cb 0.28 1.00 -0.05 0.00 -1.47 0.00 0.00 33.84 33.61 3g9a n VAL 63 CO 0.00 0.00 0.00 1.17 -2.14 0.00 0.00 176.83 175.86 3g9a n LYS 64 N -1.04 1.65 0.00 7.34 3.00 -0.93 -0.67 118.16 127.51 3g9a n LYS 64 Ca 0.01 0.59 0.00 0.00 -0.00 0.00 0.00 58.31 58.91 3g9a n LYS 64 Cb 0.06 -2.28 0.00 0.00 0.00 0.00 0.00 35.03 32.80 3g9a n LYS 64 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 3g9a n GLY 65 N 2.83 2.65 0.04 3.14 0.00 -1.26 -4.76 105.19 107.83 3g9a n GLY 65 Ca 0.17 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 46.15 3g9a n GLY 65 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3g9a n ARG 66 N -2.00 2.64 -4.28 1.61 1.74 0.16 -5.00 116.66 111.53 3g9a n ARG 66 Ca 0.00 -0.00 -0.34 0.00 -0.77 0.00 0.00 57.85 56.74 3g9a n ARG 66 Cb 0.00 -1.20 -0.09 0.00 -1.02 0.00 0.00 32.46 30.15 3g9a n ARG 66 CO 0.00 0.00 0.00 -0.06 -1.52 0.00 0.00 177.63 176.05 3g9a s PHE 67 N -2.19 3.16 -0.08 -1.55 0.40 -0.35 -1.03 117.98 116.35 3g9a s PHE 67 Ca -0.04 0.16 -0.01 0.00 -0.60 0.00 0.00 56.93 56.44 3g9a s PHE 67 Cb 0.02 -1.74 0.03 0.00 0.51 0.00 0.00 43.02 41.84 3g9a s PHE 67 CO 0.32 0.49 -0.02 0.99 0.70 0.00 0.00 175.22 177.69 3g9a s THR 68 N -1.01 0.57 0.04 0.64 2.01 0.14 -4.84 115.64 113.18 3g9a s THR 68 Ca 0.17 -0.01 -0.06 0.00 0.31 0.00 0.00 61.69 62.10 3g9a s THR 68 Cb -0.12 -0.68 -0.05 0.00 0.01 0.00 0.00 72.50 71.66 3g9a s THR 68 CO 0.07 0.29 0.29 -0.51 -0.69 0.00 0.00 174.62 174.07 3g9a s ILE 69 N 1.82 5.27 0.18 1.82 2.07 -1.26 -0.54 121.20 130.56 3g9a s ILE 69 Ca 0.04 0.13 -0.19 0.00 -1.41 0.00 0.00 60.65 59.22 3g9a s ILE 69 Cb -0.12 -3.59 0.04 0.00 0.13 0.00 0.00 42.46 38.92 3g9a s ILE 69 CO -0.06 0.29 0.53 -0.94 -1.91 0.00 0.00 174.94 172.86 3g9a s SER 70 N -1.88 -0.33 0.07 4.50 1.04 -1.01 -4.99 113.70 111.11 3g9a s SER 70 Ca 0.31 -0.35 0.02 0.00 0.48 0.00 0.00 55.95 56.40 3g9a s SER 70 Cb -0.13 0.57 -0.03 0.00 0.10 0.00 0.00 66.02 66.53 3g9a s SER 70 CO 0.18 -1.01 -0.07 0.00 0.98 0.00 0.00 173.24 173.32 3g9a s ARG 71 N -3.84 0.69 -0.24 4.02 1.70 -1.26 -0.49 118.95 119.54 3g9a s ARG 71 Ca 0.06 -1.09 0.00 0.00 -0.47 0.00 0.00 55.73 54.23 3g9a s ARG 71 Cb -0.01 -0.21 0.06 0.00 -0.57 0.00 0.00 34.95 34.22 3g9a s ARG 71 CO -0.06 0.00 -0.03 0.34 -1.08 0.00 0.00 175.30 174.47 3g9a s ASP 72 N -2.44 3.74 0.00 -2.89 -1.08 0.17 -5.00 116.67 109.17 3g9a s ASP 72 Ca 0.03 -1.18 0.31 0.00 -0.52 0.00 0.00 52.55 51.19 3g9a s ASP 72 Cb -0.01 -1.08 1.64 0.00 -1.46 0.00 0.00 42.92 42.01 3g9a s ASP 72 CO -0.03 -0.26 2.08 0.47 0.52 0.00 0.00 175.17 177.95 3g9a n ASP 73 N 4.73 0.44 -0.05 -0.34 8.00 -1.26 -0.66 116.55 127.40 3g9a n ASP 73 Ca -0.10 -1.11 -0.22 0.00 0.71 0.00 0.00 54.79 54.07 3g9a n ASP 73 Cb 0.44 -0.01 -0.13 0.00 -0.02 0.00 0.00 41.12 41.41 3g9a n ASP 73 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3g9a n ALA 74 N -0.67 0.95 1.33 2.24 0.00 -1.26 -4.32 120.51 118.78 3g9a n ALA 74 Ca 0.22 -0.67 0.13 0.00 0.00 0.00 0.00 53.44 53.13 3g9a n ALA 74 Cb 0.19 -0.51 0.46 0.00 0.00 0.00 0.00 19.45 19.59 3g9a n ALA 74 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 3g9a n LYS 75 N -3.77 0.92 -3.74 0.00 5.02 -1.18 -4.96 118.16 110.45 3g9a n LYS 75 Ca -0.36 -0.49 -0.28 0.00 -2.02 0.00 0.00 58.31 55.16 3g9a n LYS 75 Cb 0.93 -1.49 0.03 0.00 -0.02 0.00 0.00 35.03 34.48 3g9a n LYS 75 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 3g9a n ASN 76 N -0.61 -3.54 -4.05 4.39 3.02 0.16 -4.75 115.26 109.88 3g9a n ASN 76 Ca 0.14 -0.98 -0.12 0.00 -0.03 0.00 0.00 54.58 53.58 3g9a n ASN 76 Cb 0.33 -3.42 -0.11 0.00 -0.61 0.00 0.00 39.78 35.97 3g9a n ASN 76 CO 0.00 0.00 0.00 0.28 -2.62 0.00 0.00 177.26 174.92 3g9a s THR 77 N -3.62 0.46 0.08 3.41 -1.32 -0.84 -1.40 115.64 112.40 3g9a s THR 77 Ca 0.30 -1.09 0.08 0.00 -1.21 0.00 0.00 61.69 59.76 3g9a s THR 77 Cb -0.10 -0.60 -0.03 0.00 -1.51 0.00 0.00 72.50 70.26 3g9a s THR 77 CO 0.86 -0.44 -0.22 0.54 -2.21 0.00 0.00 174.62 173.15 3g9a s VAL 78 N -1.53 1.80 0.12 5.08 0.11 -0.50 -0.66 120.40 124.82 3g9a s VAL 78 Ca -0.10 -1.42 0.07 0.00 -2.93 0.00 0.00 61.98 57.60 3g9a s VAL 78 Cb -0.09 -1.59 -0.04 0.00 -1.53 0.00 0.00 36.38 33.13 3g9a s VAL 78 CO -0.00 0.10 -0.17 -0.31 -3.33 0.00 0.00 175.10 171.39 3g9a s TYR 79 N -0.98 1.57 -0.28 1.54 2.02 0.36 -0.79 117.35 120.79 3g9a s TYR 79 Ca 0.08 -0.48 -0.00 0.00 -0.37 0.00 0.00 57.07 56.30 3g9a s TYR 79 Cb -0.10 -0.83 0.09 0.00 -0.40 0.00 0.00 41.96 40.72 3g9a s TYR 79 CO 0.03 0.19 0.06 -1.17 -1.57 0.00 0.00 175.55 173.09 3g9a s LEU 80 N -2.20 2.36 -0.21 -1.29 2.96 -0.19 -2.40 118.68 117.71 3g9a s LEU 80 Ca 0.08 -1.48 -0.24 0.00 -0.22 0.00 0.00 54.13 52.27 3g9a s LEU 80 Cb -0.08 -0.95 -0.01 0.00 0.50 0.00 0.00 46.19 45.66 3g9a s LEU 80 CO 0.04 -0.36 0.80 -1.58 -1.32 0.00 0.00 176.35 173.92 3g9a s GLN 81 N 1.55 4.23 -0.14 1.98 2.00 0.30 -0.97 119.66 128.62 3g9a s GLN 81 Ca 0.06 0.92 0.01 0.00 -2.00 0.00 0.00 55.36 54.34 3g9a s GLN 81 Cb -0.18 -3.61 -0.00 0.00 0.80 0.00 0.00 33.01 30.02 3g9a s GLN 81 CO -0.18 -0.40 -0.16 -1.64 -0.50 0.00 0.00 175.29 172.41 3g9a s MET 82 N 2.42 3.23 0.18 1.67 -1.94 0.58 -0.69 119.30 124.75 3g9a s MET 82 Ca 0.35 -0.75 0.10 0.00 -1.71 0.00 0.00 55.69 53.67 3g9a s MET 82 Cb -0.16 -2.57 -0.04 0.00 2.01 0.00 0.00 34.83 34.07 3g9a s MET 82 CO 0.10 0.10 -0.21 0.14 -0.01 0.00 0.00 175.02 175.14 3g9a s VAL 82 N 0.61 2.04 -1.18 -6.03 -7.23 -0.20 -1.50 120.40 106.91 3g9a s VAL 82 Ca -0.09 -1.96 -0.21 0.00 -1.81 0.00 0.00 61.98 57.91 3g9a s VAL 82 Cb -0.16 -1.95 0.00 0.00 0.56 0.00 0.00 36.38 34.83 3g9a s VAL 82 CO 0.03 -0.23 0.73 -3.20 -0.31 0.00 0.00 175.10 172.12 3g9a n ASN 82 N 0.29 -4.53 -4.76 4.85 5.15 -0.93 -4.76 115.26 110.57 3g9a n ASN 82 Ca -0.13 -1.06 -0.38 0.00 -0.60 0.00 0.00 54.58 52.41 3g9a n ASN 82 Cb 0.57 -3.08 0.02 0.00 -0.53 0.00 0.00 39.78 36.76 3g9a n ASN 82 CO 0.00 0.00 0.00 -0.76 1.40 0.00 0.00 177.26 177.90 3g9a s LEU 82 N -6.69 3.91 0.25 1.20 1.43 -0.47 -4.63 118.68 113.68 3g9a s LEU 82 Ca 0.42 2.62 0.08 0.00 -1.03 0.00 0.00 54.13 56.22 3g9a s LEU 82 Cb -0.17 -4.25 -0.05 0.00 0.03 0.00 0.00 46.19 41.75 3g9a s LEU 82 CO 0.88 -1.34 -0.11 -0.54 0.23 0.00 0.00 176.35 175.47 3g9a s LYS 83 N -2.82 1.47 0.41 1.70 1.02 -1.26 -0.39 119.74 119.87 3g9a s LYS 83 Ca 0.68 -1.70 0.15 0.00 0.02 0.00 0.00 55.97 55.12 3g9a s LYS 83 Cb -0.37 -1.20 1.02 0.00 -0.52 0.00 0.00 37.83 36.75 3g9a s LYS 83 CO 0.44 0.13 1.90 0.66 -0.92 0.00 0.00 175.35 177.56 3g9a h SER 84 N 2.39 0.44 0.05 2.83 4.64 -1.94 0.34 113.55 122.30 3g9a h SER 84 Ca -0.39 0.03 -0.00 0.00 -0.47 0.00 0.00 61.79 60.96 3g9a h SER 84 Cb 1.23 -0.06 -0.00 0.00 -0.31 0.00 0.00 62.40 63.26 3g9a h SER 84 CO 0.64 0.22 -0.00 1.05 -0.87 0.00 0.00 176.83 177.87 3g9a h GLU 85 N 0.46 0.00 -0.00 4.77 4.11 -1.96 -1.85 114.58 120.12 3g9a h GLU 85 Ca 0.40 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.83 3g9a h GLU 85 Cb 0.86 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.11 3g9a h GLU 85 CO -0.14 0.00 -0.17 -0.25 0.07 0.00 0.00 179.01 178.52 3g9a n ASP 86 N -3.10 0.28 -4.70 3.06 8.00 0.11 -4.86 116.55 115.35 3g9a n ASP 86 Ca -0.03 -0.05 -0.42 0.00 0.71 0.00 0.00 54.79 55.00 3g9a n ASP 86 Cb 0.08 -0.15 -0.03 0.00 -0.02 0.00 0.00 41.12 41.00 3g9a n ASP 86 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 3g9a s THR 87 N -2.83 2.63 -0.08 -3.53 2.01 -0.70 -4.91 115.64 108.24 3g9a s THR 87 Ca 0.18 0.20 -0.32 0.00 0.31 0.00 0.00 61.69 62.06 3g9a s THR 87 Cb 0.19 -3.13 0.14 0.00 0.01 0.00 0.00 72.50 69.71 3g9a s THR 87 CO 0.56 0.00 1.40 0.00 -0.69 0.00 0.00 174.62 175.89 3g9a s ALA 88 N 2.42 -2.46 -0.11 7.40 0.00 -0.68 -4.54 121.76 123.79 3g9a s ALA 88 Ca 0.77 0.86 -0.20 0.00 0.00 0.00 0.00 51.96 53.39 3g9a s ALA 88 Cb -0.44 0.30 -0.04 0.00 0.00 0.00 0.00 23.12 22.93 3g9a s ALA 88 CO 0.34 -1.07 0.56 0.50 0.00 0.00 0.00 175.76 176.09 3g9a s ARG 89 N -2.11 4.36 -0.16 0.00 3.52 -0.61 -1.03 118.95 122.92 3g9a s ARG 89 Ca 0.16 0.59 -0.06 0.00 -0.13 0.00 0.00 55.73 56.28 3g9a s ARG 89 Cb 0.07 -3.45 -0.04 0.00 -1.56 0.00 0.00 34.95 29.96 3g9a s ARG 89 CO -0.06 0.09 0.05 0.71 -0.81 0.00 0.00 175.30 175.28 3g9a s TYR 90 N 0.80 3.25 -0.03 5.12 2.02 0.08 -1.23 117.35 127.36 3g9a s TYR 90 Ca 0.30 0.10 0.07 0.00 -0.37 0.00 0.00 57.07 57.17 3g9a s TYR 90 Cb -0.16 -2.01 -0.02 0.00 -0.40 0.00 0.00 41.96 39.37 3g9a s TYR 90 CO 0.13 0.24 -0.26 0.71 -1.57 0.00 0.00 175.55 174.80 3g9a s TYR 91 N 0.06 2.37 0.12 2.71 2.02 0.47 -0.62 117.35 124.48 3g9a s TYR 91 Ca 0.05 -0.54 -0.18 0.00 -0.37 0.00 0.00 57.07 56.03 3g9a s TYR 91 Cb -0.12 -1.54 -0.07 0.00 -0.40 0.00 0.00 41.96 39.83 3g9a s TYR 91 CO 0.01 -0.10 0.60 0.00 -1.57 0.00 0.00 175.55 174.48 3g9a s ALA 93 N -1.27 -0.13 -0.01 0.00 0.00 -0.40 -0.94 121.76 119.02 3g9a s ALA 93 Ca 0.34 -0.36 0.04 0.00 0.00 0.00 0.00 51.96 51.98 3g9a s ALA 93 Cb -0.18 0.14 -0.01 0.00 0.00 0.00 0.00 23.12 23.07 3g9a s ALA 93 CO 0.20 -0.21 -0.13 0.00 0.00 0.00 0.00 175.76 175.62 3g9a s ALA 94 N -1.59 1.06 -0.07 0.00 0.00 -0.47 -1.40 121.76 119.29 3g9a s ALA 94 Ca -0.14 -0.57 -0.10 0.00 0.00 0.00 0.00 51.96 51.15 3g9a s ALA 94 Cb -0.07 -0.26 0.02 0.00 0.00 0.00 0.00 23.12 22.81 3g9a s ALA 94 CO -0.00 0.25 0.26 0.34 0.00 0.00 0.00 175.76 176.61 3g9a s ASP 95 N -0.37 -0.22 0.00 0.00 2.15 -0.34 -1.55 116.67 116.34 3g9a s ASP 95 Ca 0.05 0.33 0.13 0.00 0.43 0.00 0.00 52.55 53.49 3g9a s ASP 95 Cb -0.05 0.45 0.16 0.00 -0.30 0.00 0.00 42.92 43.18 3g9a s ASP 95 CO -0.00 -0.22 1.00 -1.54 -0.17 0.00 0.00 175.17 174.24 3g9a n SER 96 N 2.33 2.31 -1.54 -0.34 3.41 -1.26 -1.06 113.62 117.47 3g9a n SER 96 Ca -0.16 -1.64 0.00 0.00 -0.26 0.00 0.00 58.87 56.80 3g9a n SER 96 Cb 0.57 -0.05 0.00 0.00 -0.26 0.00 0.00 64.21 64.47 3g9a n SER 96 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3g9a n GLY 97 N 0.75 0.66 3.65 5.00 0.00 -1.26 -5.00 105.19 109.00 3g9a n GLY 97 Ca 0.09 -1.81 -0.43 0.00 0.00 0.00 0.00 46.02 43.87 3g9a n GLY 97 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3g9a s THR 98 N 1.04 3.91 -0.08 2.61 2.01 -1.26 -4.97 115.64 118.90 3g9a s THR 98 Ca 0.00 1.08 0.00 0.00 0.31 0.00 0.00 61.69 63.08 3g9a s THR 98 Cb 0.00 -3.75 0.02 0.00 0.01 0.00 0.00 72.50 68.78 3g9a s THR 98 CO 0.00 -0.16 -0.07 -1.10 -0.69 0.00 0.00 174.62 172.60 3g9a s GLN 99 N 3.96 1.28 0.00 4.92 -1.52 -1.26 -5.01 119.66 122.03 3g9a s GLN 99 Ca 0.65 -0.20 0.03 0.00 -1.95 0.00 0.00 55.36 53.89 3g9a s GLN 99 Cb -0.26 -1.31 0.01 0.00 -0.22 0.00 0.00 33.01 31.23 3g9a s GLN 99 CO 0.23 -0.18 0.49 1.28 -0.25 0.00 0.00 175.29 176.86 3g9a n LEU 100 N 4.60 1.01 0.00 2.90 4.77 -1.26 -4.98 117.00 124.03 3g9a n LEU 100 Ca -0.16 -0.88 0.00 0.00 -0.03 0.00 0.00 56.01 54.94 3g9a n LEU 100 Cb 0.50 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.59 3g9a n LEU 100 CO 0.18 0.22 0.00 0.61 -1.33 0.00 0.00 177.39 177.08 3g9a n GLY 100 N 0.41 0.91 3.60 -0.72 0.00 -1.26 -5.05 105.19 103.08 3g9a n GLY 100 Ca 0.02 -0.11 -0.50 0.00 0.00 0.00 0.00 46.02 45.43 3g9a n GLY 100 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 3g9a n TYR 100 N -2.16 1.62 -4.19 1.61 9.36 -1.26 -4.83 117.16 117.31 3g9a n TYR 100 Ca 0.00 0.58 -0.17 0.00 3.32 0.00 0.00 57.90 61.63 3g9a n TYR 100 Cb 0.00 -2.36 -0.12 0.00 -0.63 0.00 0.00 39.34 36.22 3g9a n TYR 100 CO 0.00 0.00 0.00 0.14 0.22 0.00 0.00 176.86 177.22 3g9a s VAL 100 N 0.42 0.88 -2.31 2.97 -7.23 -1.26 -4.84 120.40 109.02 3g9a s VAL 100 Ca 0.81 -1.05 0.00 0.00 -1.81 0.00 0.00 61.98 59.93 3g9a s VAL 100 Cb -0.88 -0.85 0.00 0.00 0.56 0.00 0.00 36.38 35.21 3g9a s VAL 100 CO 0.46 -0.17 0.00 0.61 -0.31 0.00 0.00 175.10 175.69 3g9a n GLY 100 N 1.67 0.63 3.77 2.32 0.00 -0.45 -4.91 105.19 108.23 3g9a n GLY 100 Ca -0.20 -2.12 -0.40 0.00 0.00 0.00 0.00 46.02 43.31 3g9a n GLY 100 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3g9a s ALA 100 N -1.54 3.32 0.00 4.61 0.00 -1.26 -0.66 121.76 126.23 3g9a s ALA 100 Ca 0.00 1.33 0.00 0.00 0.00 0.00 0.00 51.96 53.29 3g9a s ALA 100 Cb 0.00 -3.52 0.00 0.00 0.00 0.00 0.00 23.12 19.60 3g9a s ALA 100 CO 0.00 -0.92 0.41 1.33 0.00 0.00 0.00 175.76 176.58 3g9a n VAL 100 N 0.17 0.05 0.00 0.00 0.24 -0.20 -4.86 118.33 113.73 3g9a n VAL 100 Ca 0.03 -0.40 0.00 0.00 -2.04 0.00 0.00 64.34 61.93 3g9a n VAL 100 Cb 0.42 1.20 0.00 0.00 -1.47 0.00 0.00 33.84 34.00 3g9a n VAL 100 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3g9a n GLY 100 N -0.03 0.86 0.10 7.63 0.00 -1.26 -4.49 105.19 108.01 3g9a n GLY 100 Ca 0.00 -2.26 0.12 0.00 0.00 0.00 0.00 46.02 43.88 3g9a n GLY 100 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3g9a n LEU 100 N 0.00 0.59 -4.11 0.99 4.77 -1.26 -0.81 117.00 117.17 3g9a n LEU 100 Ca 0.00 0.60 -0.25 0.00 -0.03 0.00 0.00 56.01 56.34 3g9a n LEU 100 Cb 0.00 -0.47 -0.16 0.00 -2.33 0.00 0.00 43.42 40.46 3g9a n LEU 100 CO 0.00 -0.35 -0.49 -0.55 -1.33 0.00 0.00 177.39 174.68 3g9a s SER 100 N -4.11 1.94 0.49 -1.43 0.15 -1.26 -4.55 113.70 104.93 3g9a s SER 100 Ca 0.08 -0.31 0.17 0.00 0.70 0.00 0.00 55.95 56.58 3g9a s SER 100 Cb 0.11 -0.48 1.20 0.00 -1.71 0.00 0.00 66.02 65.14 3g9a s SER 100 CO 0.46 0.15 2.07 0.00 1.20 0.00 0.00 173.24 177.12 3g9a n LEU 100 N -4.48 0.20 0.26 0.00 4.77 -1.26 -2.11 117.00 114.38 3g9a n LEU 100 Ca 0.03 0.55 0.12 0.00 -0.03 0.00 0.00 56.01 56.68 3g9a n LEU 100 Cb 0.26 -0.52 0.72 0.00 -2.33 0.00 0.00 43.42 41.54 3g9a n LEU 100 CO 0.35 -0.35 0.98 0.44 -1.33 0.00 0.00 177.39 177.48 3g9a h ASP 100 N 0.00 0.00 -2.90 -1.43 3.32 -1.58 -3.31 116.42 110.52 3g9a h ASP 100 Ca 0.00 0.00 -0.70 0.00 0.02 0.00 0.00 57.03 56.35 3g9a h ASP 100 Cb 0.28 0.00 -0.20 0.00 0.22 0.00 0.00 39.33 39.63 3g9a h ASP 100 CO 0.00 0.11 0.19 -0.47 -1.72 0.00 0.00 179.24 177.35 3g9a s TYR 100 N -4.30 3.03 -0.04 4.55 5.04 -0.89 -5.02 117.35 119.71 3g9a s TYR 100 Ca -0.03 -1.02 -0.30 0.00 -2.44 0.00 0.00 57.07 53.28 3g9a s TYR 100 Cb 0.14 -4.04 -0.05 0.00 0.35 0.00 0.00 41.96 38.36 3g9a s TYR 100 CO 0.59 -1.32 1.47 0.08 -1.34 0.00 0.00 175.55 175.04 3g9a s VAL 100 N 2.63 3.73 0.04 3.14 1.01 -1.25 -5.00 120.40 124.70 3g9a s VAL 100 Ca 0.14 1.01 0.07 0.00 0.00 0.00 0.00 61.98 63.19 3g9a s VAL 100 Cb -0.22 -3.65 -0.02 0.00 0.00 0.00 0.00 36.38 32.49 3g9a s VAL 100 CO 0.05 -0.05 -0.19 -0.04 0.00 0.00 0.00 175.10 174.87 3g9a s MET 100 N 3.15 1.29 0.20 2.72 -1.94 -1.26 -5.05 119.30 118.40 3g9a s MET 100 Ca 0.66 -0.86 -0.11 0.00 -1.71 0.00 0.00 55.69 53.66 3g9a s MET 100 Cb -0.31 -1.36 0.25 0.00 2.01 0.00 0.00 34.83 35.42 3g9a s MET 100 CO 0.26 0.35 1.71 -0.44 -0.01 0.00 0.00 175.02 176.88 3g9a h ASP 101 N 4.97 0.00 -4.32 3.03 3.32 -1.89 -3.44 116.42 118.09 3g9a h ASP 101 Ca -0.41 0.10 -0.24 0.00 0.02 0.00 0.00 57.03 56.51 3g9a h ASP 101 Cb 1.16 0.14 -0.25 0.00 0.22 0.00 0.00 39.33 40.60 3g9a h ASP 101 CO 0.44 0.02 -0.72 -0.31 -1.72 0.00 0.00 179.24 176.95 3g9a s TYR 102 N -6.12 0.28 -0.01 4.55 2.02 -0.59 -5.01 117.35 112.47 3g9a s TYR 102 Ca -0.13 -0.27 0.03 0.00 -0.37 0.00 0.00 57.07 56.33 3g9a s TYR 102 Cb 0.17 -0.18 -0.01 0.00 -0.40 0.00 0.00 41.96 41.54 3g9a s TYR 102 CO 0.73 -0.07 -0.10 -1.58 -1.57 0.00 0.00 175.55 172.96 3g9a s TRP 103 N -0.71 0.86 0.81 2.71 0.52 -1.26 -1.36 118.94 120.51 3g9a s TRP 103 Ca -0.06 -0.16 -0.12 0.00 0.02 0.00 0.00 56.10 55.78 3g9a s TRP 103 Cb -0.05 -0.55 0.08 0.00 -1.15 0.00 0.00 33.47 31.80 3g9a s TRP 103 CO -0.00 -0.02 1.16 0.20 0.02 0.00 0.00 176.95 178.31 3g9a s GLY 104 N -0.22 1.59 0.00 0.98 0.00 -0.11 -4.52 107.32 105.04 3g9a s GLY 104 Ca 0.04 -0.58 0.29 0.00 0.00 0.00 0.00 44.72 44.46 3g9a s GLY 104 CO -0.00 -0.09 1.86 0.28 0.00 0.00 0.00 173.10 175.14 3g9a n LYS 105 N -3.36 0.29 0.00 2.90 5.02 -1.26 -4.73 118.16 117.02 3g9a n LYS 105 Ca 0.08 -0.07 0.00 0.00 -2.02 0.00 0.00 58.31 56.30 3g9a n LYS 105 Cb 0.60 -1.50 0.00 0.00 -0.02 0.00 0.00 35.03 34.11 3g9a n LYS 105 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3g9a n GLY 106 N 1.39 -0.61 3.07 0.72 0.00 -1.26 -5.00 105.19 103.50 3g9a n GLY 106 Ca 0.10 -1.69 -0.13 0.00 0.00 0.00 0.00 46.02 44.30 3g9a n GLY 106 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 3g9a s THR 107 N -2.15 -0.01 0.20 2.61 -1.32 0.21 -4.84 115.64 110.34 3g9a s THR 107 Ca 0.00 0.03 -0.30 0.00 -1.21 0.00 0.00 61.69 60.22 3g9a s THR 107 Cb 0.00 -0.30 -0.08 0.00 -1.51 0.00 0.00 72.50 70.61 3g9a s THR 107 CO 0.00 0.01 1.07 -1.58 -2.21 0.00 0.00 174.62 171.91 3g9a s GLN 108 N 0.35 4.64 -0.15 7.08 2.00 -1.26 -0.74 119.66 131.58 3g9a s GLN 108 Ca -0.02 1.68 0.00 0.00 -2.00 0.00 0.00 55.36 55.03 3g9a s GLN 108 Cb -0.03 -3.27 0.02 0.00 0.80 0.00 0.00 33.01 30.53 3g9a s GLN 108 CO -0.01 0.16 -0.14 0.08 -0.50 0.00 0.00 175.29 174.88 3g9a s VAL 109 N -0.49 1.56 -0.21 1.34 1.01 -0.20 -0.33 120.40 123.09 3g9a s VAL 109 Ca 0.47 -0.63 0.01 0.00 0.00 0.00 0.00 61.98 61.84 3g9a s VAL 109 Cb -0.29 -1.47 0.04 0.00 0.00 0.00 0.00 36.38 34.66 3g9a s VAL 109 CO 0.35 0.46 -0.13 -0.89 0.00 0.00 0.00 175.10 174.89 3g9a s THR 110 N 1.49 1.85 -0.26 3.92 2.01 -0.56 -1.68 115.64 122.42 3g9a s THR 110 Ca 0.05 -1.11 -0.12 0.00 0.31 0.00 0.00 61.69 60.81 3g9a s THR 110 Cb -0.13 -1.86 -0.05 0.00 0.01 0.00 0.00 72.50 70.47 3g9a s THR 110 CO -0.11 0.23 0.24 -0.69 -0.69 0.00 0.00 174.62 173.61 3g9a s VAL 111 N 1.31 5.28 -2.31 3.82 1.01 -1.26 -1.61 120.40 126.64 3g9a s VAL 111 Ca -0.01 0.32 0.18 0.00 0.00 0.00 0.00 61.98 62.47 3g9a s VAL 111 Cb -0.16 -3.58 0.15 0.00 0.00 0.00 0.00 36.38 32.79 3g9a s VAL 111 CO -0.09 0.25 1.08 -1.54 0.00 0.00 0.00 175.10 174.81