#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2bm2 s VAL 17 N 0.00 5.32 0.00 1.39 1.01 0.29 -4.07 120.40 124.34 2bm2 s VAL 17 Ca 0.00 0.34 0.00 0.00 0.00 0.00 0.00 61.98 62.32 2bm2 s VAL 17 Cb 0.00 -3.56 0.00 0.00 0.00 0.00 0.00 36.38 32.82 2bm2 s VAL 17 CO 0.00 0.33 0.00 0.61 0.00 0.00 0.00 175.10 176.04 2bm2 n GLY 18 N 4.06 -0.66 7.00 4.51 0.00 -1.26 -1.81 105.19 117.04 2bm2 n GLY 18 Ca -0.13 -1.15 0.00 0.00 0.00 0.00 0.00 46.02 44.74 2bm2 n GLY 18 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2bm2 n GLY 19 N 0.00 1.55 3.77 -0.02 0.00 -1.26 -4.79 105.19 104.44 2bm2 n GLY 19 Ca 0.00 -0.63 -0.04 0.00 0.00 0.00 0.00 46.02 45.35 2bm2 n GLY 19 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2bm2 s GLN 20 N 0.00 1.24 0.37 1.61 0.74 0.12 -4.97 119.66 118.77 2bm2 s GLN 20 Ca 0.00 -0.69 -0.27 0.00 0.05 0.00 0.00 55.36 54.45 2bm2 s GLN 20 Cb 0.00 0.42 -0.10 0.00 1.10 0.00 0.00 33.01 34.44 2bm2 s GLN 20 CO 0.00 -0.57 1.31 -2.00 -0.55 0.00 0.00 175.29 173.48 2bm2 s GLU 21 N -3.33 4.18 0.03 1.67 2.12 -1.26 0.35 118.70 122.46 2bm2 s GLU 21 Ca 0.12 2.20 -0.22 0.00 0.36 0.00 0.00 54.97 57.43 2bm2 s GLU 21 Cb -0.02 -2.93 -0.06 0.00 0.26 0.00 0.00 34.13 31.39 2bm2 s GLU 21 CO 0.03 -0.33 0.65 0.00 -0.54 0.00 0.00 175.26 175.07 2bm2 s ALA 22 N -1.20 3.47 0.31 6.30 0.00 0.10 -4.77 121.76 125.98 2bm2 s ALA 22 Ca 0.52 0.12 -0.29 0.00 0.00 0.00 0.00 51.96 52.32 2bm2 s ALA 22 Cb -0.39 -2.81 -0.13 0.00 0.00 0.00 0.00 23.12 19.79 2bm2 s ALA 22 CO 0.51 0.18 1.28 -2.30 0.00 0.00 0.00 175.76 175.43 2bm2 n PRO 23 N 2.54 2.00 -0.07 0.00 -0.02 -1.26 -4.85 135.00 133.34 2bm2 n PRO 23 Ca -0.06 0.70 0.25 0.00 -2.02 0.00 0.00 63.50 62.38 2bm2 n PRO 23 Cb 0.51 -2.27 0.71 0.00 -0.02 0.00 0.00 33.50 32.43 2bm2 n PRO 23 CO 0.00 0.00 0.00 -0.09 1.98 0.00 0.00 175.50 177.39 2bm2 h ARG 24 N 2.84 0.00 -0.01 -0.52 2.43 -2.00 -0.10 114.38 117.02 2bm2 h ARG 24 Ca -0.45 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 58.72 2bm2 h ARG 24 Cb 1.29 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.84 2bm2 h ARG 24 CO 0.65 0.00 -0.27 -1.13 -1.51 0.00 0.00 179.97 177.71 2bm2 n SER 25 N -3.90 0.97 -4.90 -3.80 3.41 -1.26 -4.91 113.62 99.23 2bm2 n SER 25 Ca 0.14 -0.84 -0.32 0.00 -0.26 0.00 0.00 58.87 57.59 2bm2 n SER 25 Cb 0.88 0.14 -0.05 0.00 -0.26 0.00 0.00 64.21 64.92 2bm2 n SER 25 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 2bm2 s LYS 26 N -2.53 3.58 -1.10 4.33 -0.14 -0.05 -4.66 119.74 119.17 2bm2 s LYS 26 Ca 0.24 -0.15 -0.08 0.00 -1.36 0.00 0.00 55.97 54.62 2bm2 s LYS 26 Cb 0.19 -2.94 -0.05 0.00 -1.68 0.00 0.00 37.83 33.35 2bm2 s LYS 26 CO 0.53 0.54 0.89 0.91 -0.76 0.00 0.00 175.35 177.46 2bm2 n TRP 27 N 0.37 -2.30 0.22 3.18 7.02 -1.26 -4.86 117.44 119.81 2bm2 n TRP 27 Ca -0.05 0.78 0.09 0.00 -1.02 0.00 0.00 57.50 57.30 2bm2 n TRP 27 Cb 0.52 -4.08 0.43 0.00 -2.42 0.00 0.00 31.31 25.75 2bm2 n TRP 27 CO 0.00 0.00 0.00 -0.35 -2.02 0.00 0.00 177.69 175.32 2bm2 n PRO 28 N -3.56 0.11 0.04 -0.99 -0.04 -1.26 -2.65 135.00 126.65 2bm2 n PRO 28 Ca -0.11 0.52 0.11 0.00 -0.04 0.00 0.00 63.50 63.99 2bm2 n PRO 28 Cb 0.62 -1.81 -0.01 0.00 -0.04 0.00 0.00 33.50 32.26 2bm2 n PRO 28 CO 0.00 0.00 0.00 -2.67 -0.04 0.00 0.00 175.50 172.79 2bm2 n TRP 29 N -2.04 0.38 -1.71 0.54 2.14 -1.18 -2.43 117.44 113.15 2bm2 n TRP 29 Ca 0.00 0.11 -0.43 0.00 2.07 0.00 0.00 57.50 59.25 2bm2 n TRP 29 Cb 0.09 -0.56 -0.02 0.00 -0.81 0.00 0.00 31.31 30.01 2bm2 n TRP 29 CO 0.00 0.00 0.00 0.94 2.07 0.00 0.00 177.69 180.70 2bm2 n GLN 30 N -2.16 2.30 -4.24 -2.67 -0.06 -1.08 -1.24 117.38 108.23 2bm2 n GLN 30 Ca 0.01 0.81 -0.13 0.00 -2.00 0.00 0.00 57.00 55.69 2bm2 n GLN 30 Cb 0.48 -2.49 -0.10 0.00 -4.06 0.00 0.00 30.24 24.07 2bm2 n GLN 30 CO 0.00 0.00 0.00 0.14 -0.20 0.00 0.00 177.06 177.00 2bm2 s VAL 31 N -0.42 0.45 -0.03 1.69 -7.23 -0.69 -2.52 120.40 111.64 2bm2 s VAL 31 Ca 0.62 -1.97 0.05 0.00 -1.81 0.00 0.00 61.98 58.87 2bm2 s VAL 31 Cb -0.57 -2.28 -0.01 0.00 0.56 0.00 0.00 36.38 34.09 2bm2 s VAL 31 CO 0.54 -0.30 -0.18 -0.55 -0.31 0.00 0.00 175.10 174.30 2bm2 s SER 32 N -3.18 2.20 -0.10 4.85 0.15 -0.63 -1.10 113.70 115.89 2bm2 s SER 32 Ca 0.29 -0.35 -0.13 0.00 0.70 0.00 0.00 55.95 56.46 2bm2 s SER 32 Cb 0.07 -0.46 -0.05 0.00 -1.71 0.00 0.00 66.02 63.87 2bm2 s SER 32 CO 0.07 0.19 0.29 -0.76 1.20 0.00 0.00 173.24 174.23 2bm2 s LEU 33 N -0.17 4.35 -0.06 3.45 1.43 0.11 -1.93 118.68 125.86 2bm2 s LEU 33 Ca 0.01 0.64 0.06 0.00 -1.03 0.00 0.00 54.13 53.81 2bm2 s LEU 33 Cb -0.10 -2.37 -0.01 0.00 0.03 0.00 0.00 46.19 43.74 2bm2 s LEU 33 CO 0.01 0.24 -0.25 -0.13 0.23 0.00 0.00 176.35 176.45 2bm2 s ARG 34 N -0.35 2.55 0.02 1.70 1.81 -0.31 -1.39 118.95 122.98 2bm2 s ARG 34 Ca 0.18 -0.90 0.01 0.00 -1.72 0.00 0.00 55.73 53.30 2bm2 s ARG 34 Cb -0.14 -2.17 -0.04 0.00 -0.45 0.00 0.00 34.95 32.15 2bm2 s ARG 34 CO 0.07 0.39 0.09 0.14 -0.68 0.00 0.00 175.30 175.30 2bm2 s VAL 35 N -0.18 4.70 0.22 3.52 -7.23 -0.28 -1.28 120.40 119.87 2bm2 s VAL 35 Ca -0.03 -0.51 -0.30 0.00 -1.81 0.00 0.00 61.98 59.33 2bm2 s VAL 35 Cb -0.14 -3.19 -0.09 0.00 0.56 0.00 0.00 36.38 33.53 2bm2 s VAL 35 CO 0.04 0.28 1.23 -2.28 -0.31 0.00 0.00 175.10 174.05 2bm2 s HIS 36 N -1.26 3.35 0.00 2.82 2.46 0.97 -2.65 115.29 120.97 2bm2 s HIS 36 Ca 0.25 1.40 0.00 0.00 0.47 0.00 0.00 55.06 57.18 2bm2 s HIS 36 Cb -0.12 -3.49 0.00 0.00 -0.13 0.00 0.00 32.58 28.84 2bm2 s HIS 36 CO 0.17 -1.40 0.00 0.41 -2.47 0.00 0.00 174.74 171.45 2bm2 n GLY 37 N 1.94 1.92 0.49 1.59 0.00 -1.26 -4.94 105.19 104.93 2bm2 n GLY 37 Ca 0.04 -0.41 0.31 0.00 0.00 0.00 0.00 46.02 45.96 2bm2 n GLY 37 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 2bm2 h PRO 37 N 0.00 0.07 -3.56 1.61 0.11 -2.04 -3.42 132.00 124.76 2bm2 h PRO 37 Ca 0.00 -0.00 -0.11 0.00 0.11 0.00 0.00 66.00 65.99 2bm2 h PRO 37 Cb 0.00 -0.01 -0.05 0.00 0.11 0.00 0.00 31.00 31.04 2bm2 h PRO 37 CO 0.00 0.04 0.01 1.52 -0.21 0.00 0.00 178.00 179.36 2bm2 s TYR 37 N -5.05 0.49 -1.24 0.65 1.13 -1.26 -5.08 117.35 106.99 2bm2 s TYR 37 Ca -0.06 -0.92 -0.17 0.00 -1.41 0.00 0.00 57.07 54.51 2bm2 s TYR 37 Cb 0.23 0.34 0.09 0.00 -1.10 0.00 0.00 41.96 41.52 2bm2 s TYR 37 CO 0.80 -1.25 1.62 -1.58 -2.51 0.00 0.00 175.55 172.63 2bm2 s TRP 38 N -3.12 2.95 0.10 -3.49 0.52 -1.26 -4.69 118.94 109.95 2bm2 s TRP 38 Ca 0.22 -1.68 -0.30 0.00 0.02 0.00 0.00 56.10 54.36 2bm2 s TRP 38 Cb -0.02 -4.63 -0.06 0.00 -1.15 0.00 0.00 33.47 27.60 2bm2 s TRP 38 CO 0.14 -1.71 1.14 1.41 0.02 0.00 0.00 176.95 177.94 2bm2 s MET 39 N 3.60 4.51 0.12 4.98 1.75 -1.08 -4.70 119.30 128.47 2bm2 s MET 39 Ca 0.50 1.71 -0.31 0.00 -1.25 0.00 0.00 55.69 56.34 2bm2 s MET 39 Cb 0.02 -3.33 -0.08 0.00 2.84 0.00 0.00 34.83 34.27 2bm2 s MET 39 CO 0.04 -0.11 1.44 -1.58 -0.65 0.00 0.00 175.02 174.16 2bm2 s HIS 40 N 0.57 3.14 0.00 4.11 2.46 -1.26 -1.13 115.29 123.18 2bm2 s HIS 40 Ca 0.54 0.84 0.00 0.00 0.47 0.00 0.00 55.06 56.92 2bm2 s HIS 40 Cb -0.28 -3.75 0.00 0.00 -0.13 0.00 0.00 32.58 28.42 2bm2 s HIS 40 CO 0.31 -2.68 0.00 1.97 -2.47 0.00 0.00 174.74 171.87 2bm2 n PHE 41 N 4.12 0.00 -3.44 3.88 -1.74 -0.48 -4.95 117.46 114.85 2bm2 n PHE 41 Ca 0.12 0.00 -0.12 0.00 -0.56 0.00 0.00 57.45 56.89 2bm2 n PHE 41 Cb 0.41 0.00 -0.02 0.00 1.52 0.00 0.00 39.48 41.39 2bm2 n PHE 41 CO 0.00 0.00 0.00 0.00 -0.56 0.00 0.00 176.76 176.20 2bm2 s GLY 43 N -2.75 1.75 0.29 0.00 0.00 0.13 0.08 107.32 106.83 2bm2 s GLY 43 Ca 0.01 -1.86 -0.17 0.00 0.00 0.00 0.00 44.72 42.70 2bm2 s GLY 43 CO -0.13 -1.29 0.86 0.61 0.00 0.00 0.00 173.10 173.14 2bm2 n GLY 44 N -2.75 0.86 3.24 0.20 0.00 -0.26 -3.75 105.19 102.74 2bm2 n GLY 44 Ca 0.16 -1.20 -0.10 0.00 0.00 0.00 0.00 46.02 44.87 2bm2 n GLY 44 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2bm2 s SER 45 N -3.13 -0.44 -0.19 1.61 1.04 -0.95 -1.71 113.70 109.93 2bm2 s SER 45 Ca 0.18 0.86 -0.29 0.00 0.48 0.00 0.00 55.95 57.18 2bm2 s SER 45 Cb -0.04 0.79 -0.01 0.00 0.10 0.00 0.00 66.02 66.86 2bm2 s SER 45 CO 0.09 -0.20 1.31 -0.22 0.98 0.00 0.00 173.24 175.21 2bm2 s LEU 46 N 1.54 4.12 0.00 2.42 2.96 -0.37 -1.40 118.68 127.94 2bm2 s LEU 46 Ca -0.08 1.63 0.06 0.00 -0.22 0.00 0.00 54.13 55.51 2bm2 s LEU 46 Cb -0.09 -3.54 -0.02 0.00 0.50 0.00 0.00 46.19 43.05 2bm2 s LEU 46 CO -0.12 -0.86 0.44 2.30 -1.32 0.00 0.00 176.35 176.79 2bm2 n ILE 47 N 5.60 0.00 -3.63 6.68 -5.35 -0.93 -1.02 119.36 120.71 2bm2 n ILE 47 Ca 0.15 -0.42 -0.13 0.00 -0.27 0.00 0.00 62.75 62.08 2bm2 n ILE 47 Cb 0.45 1.06 -0.07 0.00 -1.74 0.00 0.00 39.64 39.34 2bm2 n ILE 47 CO 0.00 0.00 0.00 -2.28 -1.76 0.00 0.00 176.55 172.51 2bm2 s HIS 48 N -1.13 -0.69 0.46 4.28 5.04 -1.24 -4.70 115.29 117.31 2bm2 s HIS 48 Ca 0.04 1.67 0.23 0.00 -1.54 0.00 0.00 55.06 55.46 2bm2 s HIS 48 Cb 0.05 0.30 0.78 0.00 0.04 0.00 0.00 32.58 33.75 2bm2 s HIS 48 CO 0.17 -0.35 1.02 -2.30 -2.34 0.00 0.00 174.74 170.95 2bm2 n PRO 49 N 2.47 0.01 0.00 2.88 -0.02 -1.26 -0.57 135.00 138.51 2bm2 n PRO 49 Ca -0.14 0.79 0.00 0.00 -2.02 0.00 0.00 63.50 62.13 2bm2 n PRO 49 Cb 0.55 -1.95 0.00 0.00 -0.02 0.00 0.00 33.50 32.08 2bm2 n PRO 49 CO 0.00 0.00 0.00 0.94 1.98 0.00 0.00 175.50 178.42 2bm2 n GLN 50 N -2.87 1.91 -4.62 -0.52 7.27 -1.26 0.14 117.38 117.43 2bm2 n GLN 50 Ca 0.20 -1.19 -0.23 0.00 0.07 0.00 0.00 57.00 55.85 2bm2 n GLN 50 Cb 1.23 -0.95 -0.15 0.00 2.41 0.00 0.00 30.24 32.77 2bm2 n GLN 50 CO 0.00 0.00 0.00 -1.58 0.07 0.00 0.00 177.06 175.55 2bm2 s TRP 51 N -0.70 1.27 -0.10 3.69 0.52 0.27 -1.43 118.94 122.45 2bm2 s TRP 51 Ca 0.00 -0.29 0.02 0.00 0.02 0.00 0.00 56.10 55.85 2bm2 s TRP 51 Cb 0.00 -0.85 -0.01 0.00 -1.15 0.00 0.00 33.47 31.46 2bm2 s TRP 51 CO 0.00 -0.07 -0.18 0.08 0.02 0.00 0.00 176.95 176.80 2bm2 s VAL 52 N -0.11 2.66 -0.12 4.03 1.01 0.05 -2.19 120.40 125.74 2bm2 s VAL 52 Ca 0.01 -0.82 -0.16 0.00 0.00 0.00 0.00 61.98 61.01 2bm2 s VAL 52 Cb -0.08 -2.07 -0.05 0.00 0.00 0.00 0.00 36.38 34.19 2bm2 s VAL 52 CO 0.00 0.55 0.39 -0.22 0.00 0.00 0.00 175.10 175.82 2bm2 s LEU 53 N 0.13 4.29 0.00 3.92 1.98 -0.50 0.12 118.68 128.62 2bm2 s LEU 53 Ca -0.09 0.71 -0.00 0.00 -2.89 0.00 0.00 54.13 51.86 2bm2 s LEU 53 Cb -0.15 -2.55 0.00 0.00 0.66 0.00 0.00 46.19 44.15 2bm2 s LEU 53 CO 0.06 0.09 0.19 1.07 -1.89 0.00 0.00 176.35 175.87 2bm2 n THR 54 N 3.36 0.00 -3.55 3.68 5.66 -0.09 -2.24 114.28 121.10 2bm2 n THR 54 Ca -0.10 -0.78 -0.37 0.00 -3.05 0.00 0.00 64.05 59.74 2bm2 n THR 54 Cb 0.52 0.47 -0.06 0.00 -1.55 0.00 0.00 70.33 69.70 2bm2 n THR 54 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 2bm2 s ALA 55 N -2.15 3.67 0.25 1.79 0.00 -1.26 -0.61 121.76 123.46 2bm2 s ALA 55 Ca 0.13 -0.35 -0.03 0.00 0.00 0.00 0.00 51.96 51.71 2bm2 s ALA 55 Cb -0.00 -2.35 0.44 0.00 0.00 0.00 0.00 23.12 21.21 2bm2 s ALA 55 CO 0.09 0.34 1.80 0.00 0.00 0.00 0.00 175.76 177.99 2bm2 h ALA 56 N 5.53 1.22 0.00 0.00 0.00 -1.68 -1.48 119.26 122.85 2bm2 h ALA 56 Ca -0.48 0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.48 2bm2 h ALA 56 Cb 1.20 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.89 2bm2 h ALA 56 CO 0.66 0.05 0.00 -2.39 0.00 0.00 0.00 179.25 177.57 2bm2 n HIS 57 N -4.78 0.30 0.08 0.00 1.44 -1.26 0.46 115.22 111.46 2bm2 n HIS 57 Ca 0.15 0.16 -0.05 0.00 -2.01 0.00 0.00 57.72 55.96 2bm2 n HIS 57 Cb 0.33 -0.75 -0.07 0.00 0.12 0.00 0.00 29.99 29.62 2bm2 n HIS 57 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 2bm2 n VAL 59 N -3.38 0.47 -3.36 0.00 0.24 0.78 -5.02 118.33 108.06 2bm2 n VAL 59 Ca 0.00 -0.60 0.00 0.00 -2.04 0.00 0.00 64.34 61.70 2bm2 n VAL 59 Cb 0.88 0.86 0.00 0.00 -1.47 0.00 0.00 33.84 34.11 2bm2 n VAL 59 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2bm2 n GLY 60 N -0.24 4.21 0.04 7.63 0.00 0.17 -4.48 105.19 112.53 2bm2 n GLY 60 Ca 0.00 -1.44 0.11 0.00 0.00 0.00 0.00 46.02 44.70 2bm2 n GLY 60 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2bm2 n PRO 60 N 0.00 0.08 -2.85 1.61 -0.04 -1.26 -4.57 135.00 127.97 2bm2 n PRO 60 Ca 0.00 0.18 -0.41 0.00 -0.04 0.00 0.00 63.50 63.23 2bm2 n PRO 60 Cb 0.00 -1.62 -0.05 0.00 -0.04 0.00 0.00 33.50 31.80 2bm2 n PRO 60 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 2bm2 s ASP 60 N -3.48 7.35 0.16 3.54 -0.00 -1.26 -5.01 116.67 117.97 2bm2 s ASP 60 Ca 0.10 1.61 -0.30 0.00 -0.00 0.00 0.00 52.55 53.96 2bm2 s ASP 60 Cb 0.13 -2.53 -0.08 0.00 -0.00 0.00 0.00 42.92 40.45 2bm2 s ASP 60 CO 0.44 -0.04 1.31 0.68 -0.00 0.00 0.00 175.17 177.56 2bm2 s VAL 60 N 0.06 3.36 0.44 -1.27 -7.23 -1.26 -4.99 120.40 109.51 2bm2 s VAL 60 Ca 0.43 1.06 0.06 0.00 -1.81 0.00 0.00 61.98 61.73 2bm2 s VAL 60 Cb -0.22 -3.68 -0.04 0.00 0.56 0.00 0.00 36.38 33.00 2bm2 s VAL 60 CO 0.26 0.13 0.18 -0.75 -0.31 0.00 0.00 175.10 174.61 2bm2 s LYS 60 N 0.31 2.21 -0.19 4.82 2.47 -1.26 -5.11 119.74 122.98 2bm2 s LYS 60 Ca 0.58 -1.94 -0.26 0.00 -1.56 0.00 0.00 55.97 52.79 2bm2 s LYS 60 Cb -0.35 -1.92 -0.01 0.00 -1.46 0.00 0.00 37.83 34.09 2bm2 s LYS 60 CO 0.35 -0.20 0.89 0.34 0.16 0.00 0.00 175.35 176.89 2bm2 s ASP 60 N -3.93 6.98 0.32 1.43 3.68 -1.26 -4.94 116.67 118.96 2bm2 s ASP 60 Ca 0.36 1.22 0.10 0.00 2.13 0.00 0.00 52.55 56.35 2bm2 s ASP 60 Cb 0.03 -2.48 0.88 0.00 -1.45 0.00 0.00 42.92 39.91 2bm2 s ASP 60 CO 0.20 -0.48 1.74 -0.07 0.13 0.00 0.00 175.17 176.69 2bm2 h LEU 61 N 8.70 0.68 -2.28 -1.34 3.38 -1.95 0.11 115.31 122.61 2bm2 h LEU 61 Ca -0.26 0.12 0.04 0.00 0.09 0.00 0.00 57.88 57.87 2bm2 h LEU 61 Cb 1.11 0.01 -0.00 0.00 0.09 0.00 0.00 40.66 41.87 2bm2 h LEU 61 CO 0.87 0.14 0.13 0.00 0.09 0.00 0.00 178.44 179.67 2bm2 h ALA 62 N 1.70 1.75 -0.01 1.53 0.00 -1.92 -0.42 119.26 121.90 2bm2 h ALA 62 Ca 0.63 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.53 2bm2 h ALA 62 Cb 1.19 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.99 2bm2 h ALA 62 CO -0.44 -0.19 -0.01 0.00 0.00 0.00 0.00 179.25 178.61 2bm2 n ALA 63 N -2.35 2.64 -2.59 0.00 0.00 0.40 -4.87 120.51 113.73 2bm2 n ALA 63 Ca 0.00 -0.33 -0.33 0.00 0.00 0.00 0.00 53.44 52.78 2bm2 n ALA 63 Cb 0.24 -1.33 -0.14 0.00 0.00 0.00 0.00 19.45 18.23 2bm2 n ALA 63 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 2bm2 s LEU 64 N -2.02 2.67 0.04 0.00 2.96 -0.17 -0.02 118.68 122.13 2bm2 s LEU 64 Ca 0.42 -0.24 0.01 0.00 -0.22 0.00 0.00 54.13 54.10 2bm2 s LEU 64 Cb 0.21 -1.55 -0.02 0.00 0.50 0.00 0.00 46.19 45.33 2bm2 s LEU 64 CO 0.36 0.31 -0.06 -0.13 -1.32 0.00 0.00 176.35 175.51 2bm2 s ARG 65 N -0.50 0.46 -0.13 1.98 1.81 -0.40 -4.32 118.95 117.84 2bm2 s ARG 65 Ca 0.07 -0.74 0.01 0.00 -1.72 0.00 0.00 55.73 53.34 2bm2 s ARG 65 Cb -0.12 -0.12 -0.01 0.00 -0.45 0.00 0.00 34.95 34.26 2bm2 s ARG 65 CO 0.02 0.00 -0.15 0.08 -0.68 0.00 0.00 175.30 174.57 2bm2 s VAL 66 N -1.59 2.79 -0.19 3.52 1.01 0.06 -1.17 120.40 124.83 2bm2 s VAL 66 Ca -0.11 -0.75 -0.05 0.00 0.00 0.00 0.00 61.98 61.07 2bm2 s VAL 66 Cb -0.09 -2.16 -0.03 0.00 0.00 0.00 0.00 36.38 34.10 2bm2 s VAL 66 CO -0.01 0.53 0.01 -1.58 0.00 0.00 0.00 175.10 174.05 2bm2 s GLN 67 N 0.49 3.72 0.87 2.72 2.00 -0.81 0.01 119.66 128.65 2bm2 s GLN 67 Ca -0.11 -0.48 -0.13 0.00 -2.00 0.00 0.00 55.36 52.65 2bm2 s GLN 67 Cb -0.16 -3.09 0.12 0.00 0.80 0.00 0.00 33.01 30.68 2bm2 s GLN 67 CO 0.05 0.12 1.18 -0.51 -0.50 0.00 0.00 175.29 175.63 2bm2 s LEU 68 N 0.74 2.34 -0.42 3.68 1.43 -1.26 -1.61 118.68 123.58 2bm2 s LEU 68 Ca 0.01 0.76 -0.39 0.00 -1.03 0.00 0.00 54.13 53.48 2bm2 s LEU 68 Cb -0.14 -3.13 -0.17 0.00 0.03 0.00 0.00 46.19 42.79 2bm2 s LEU 68 CO 0.02 -2.26 1.44 -1.14 0.23 0.00 0.00 176.35 174.65 2bm2 n ARG 69 N -3.54 0.00 -4.31 1.70 3.00 -1.05 -4.79 116.66 107.67 2bm2 n ARG 69 Ca 0.09 0.00 -0.20 0.00 -0.00 0.00 0.00 57.85 57.73 2bm2 n ARG 69 Cb 0.60 -1.26 -0.13 0.00 0.00 0.00 0.00 32.46 31.67 2bm2 n ARG 69 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.63 175.63 2bm2 s GLU 70 N 3.08 0.94 0.01 -0.14 2.12 -1.26 -5.05 118.70 118.41 2bm2 s GLU 70 Ca 0.91 -0.87 -0.09 0.00 0.36 0.00 0.00 54.97 55.29 2bm2 s GLU 70 Cb -1.26 -0.98 -0.31 0.00 0.26 0.00 0.00 34.13 31.84 2bm2 s GLU 70 CO 0.66 0.23 0.90 1.96 -0.54 0.00 0.00 175.26 178.47 2bm2 h GLN 71 N 4.65 0.37 -4.07 4.30 1.08 -1.95 -3.44 115.11 116.05 2bm2 h GLN 71 Ca -0.40 -0.63 -0.53 0.00 -1.45 0.00 0.00 58.65 55.64 2bm2 h GLN 71 Cb 1.18 0.23 -0.38 0.00 -0.05 0.00 0.00 27.48 28.47 2bm2 h GLN 71 CO 0.42 1.27 -0.79 -1.01 -0.95 0.00 0.00 178.83 177.78 2bm2 s HIS 72 N -2.61 1.51 0.26 2.96 3.76 -1.26 -2.27 115.29 117.64 2bm2 s HIS 72 Ca -0.10 -0.92 -0.28 0.00 -0.15 0.00 0.00 55.06 53.60 2bm2 s HIS 72 Cb 0.06 -1.23 -0.15 0.00 1.11 0.00 0.00 32.58 32.37 2bm2 s HIS 72 CO 0.88 -0.57 0.91 -0.11 -0.85 0.00 0.00 174.74 175.01 2bm2 n LEU 73 N 4.93 1.10 0.00 0.89 7.94 -0.58 -1.63 117.00 129.64 2bm2 n LEU 73 Ca -0.11 1.17 0.00 0.00 -1.11 0.00 0.00 56.01 55.95 2bm2 n LEU 73 Cb 0.48 -1.21 0.00 0.00 0.53 0.00 0.00 43.42 43.23 2bm2 n LEU 73 CO 0.16 -1.74 0.00 -1.22 -1.11 0.00 0.00 177.39 173.47 2bm2 n TYR 74 N 0.28 0.00 -0.16 1.96 4.01 -1.26 -4.81 117.16 117.17 2bm2 n TYR 74 Ca 0.12 0.00 -0.12 0.00 -0.16 0.00 0.00 57.90 57.74 2bm2 n TYR 74 Cb 0.30 -0.10 -0.09 0.00 -0.31 0.00 0.00 39.34 39.14 2bm2 n TYR 74 CO 0.00 0.00 0.00 0.10 -0.46 0.00 0.00 176.86 176.50 2bm2 h TYR 75 N 0.00 -1.59 -2.02 -0.72 -0.00 -1.66 -3.33 116.97 107.66 2bm2 h TYR 75 Ca 0.00 0.08 -0.54 0.00 -0.00 0.00 0.00 58.73 58.27 2bm2 h TYR 75 Cb 0.00 0.75 -0.40 0.00 -0.00 0.00 0.00 36.73 37.09 2bm2 h TYR 75 CO 0.00 -0.43 -1.09 1.04 -0.00 0.00 0.00 178.16 177.68 2bm2 n GLN 79 N -5.12 0.97 -1.73 0.10 6.02 -1.26 -5.12 117.38 111.23 2bm2 n GLN 79 Ca -0.03 -3.40 -0.39 0.00 -0.01 0.00 0.00 57.00 53.18 2bm2 n GLN 79 Cb 0.30 -1.43 0.04 0.00 1.02 0.00 0.00 30.24 30.17 2bm2 n GLN 79 CO 0.00 0.00 0.00 -0.25 -1.01 0.00 0.00 177.06 175.80 2bm2 n ASP 80 N 1.04 2.46 -3.04 1.08 8.00 -1.25 -4.98 116.55 119.86 2bm2 n ASP 80 Ca 0.23 0.96 -0.18 0.00 0.71 0.00 0.00 54.79 56.51 2bm2 n ASP 80 Cb 0.55 -1.55 -0.03 0.00 -0.02 0.00 0.00 41.12 40.07 2bm2 n ASP 80 CO 0.00 0.00 0.00 1.67 -0.39 0.00 0.00 177.20 178.48 2bm2 n GLN 81 N -0.99 0.71 -1.82 -1.24 -0.06 -1.26 -5.13 117.38 107.59 2bm2 n GLN 81 Ca 0.11 -2.69 -0.41 0.00 -2.00 0.00 0.00 57.00 52.01 2bm2 n GLN 81 Cb 0.45 -1.32 -0.00 0.00 -4.06 0.00 0.00 30.24 25.30 2bm2 n GLN 81 CO 0.00 0.00 0.00 -0.51 -0.20 0.00 0.00 177.06 176.35 2bm2 s LEU 82 N -0.92 4.33 -0.12 1.69 1.43 -1.26 -4.55 118.68 119.27 2bm2 s LEU 82 Ca 0.34 3.03 0.03 0.00 -1.03 0.00 0.00 54.13 56.49 2bm2 s LEU 82 Cb 0.18 -3.67 0.00 0.00 0.03 0.00 0.00 46.19 42.74 2bm2 s LEU 82 CO -0.16 -0.86 -0.21 -0.76 0.23 0.00 0.00 176.35 174.59 2bm2 s LEU 83 N -1.97 2.21 0.70 1.79 1.43 0.10 -4.88 118.68 118.06 2bm2 s LEU 83 Ca 0.53 -0.54 -0.16 0.00 -1.03 0.00 0.00 54.13 52.93 2bm2 s LEU 83 Cb -0.46 -1.46 0.02 0.00 0.03 0.00 0.00 46.19 44.32 2bm2 s LEU 83 CO 0.62 0.12 1.20 -2.16 0.23 0.00 0.00 176.35 176.36 2bm2 s PRO 84 N 0.57 2.35 -0.08 1.29 0.04 -1.26 -0.76 135.00 137.15 2bm2 s PRO 84 Ca -0.12 1.75 0.02 0.00 0.04 0.00 0.00 61.00 62.69 2bm2 s PRO 84 Cb -0.17 -1.86 -0.02 0.00 0.04 0.00 0.00 34.50 32.49 2bm2 s PRO 84 CO 0.04 -1.67 -0.15 0.08 0.04 0.00 0.00 177.00 175.34 2bm2 s VAL 85 N -1.92 2.93 -0.14 -0.36 1.01 -1.26 -2.20 120.40 118.46 2bm2 s VAL 85 Ca 0.75 -0.74 0.14 0.00 0.00 0.00 0.00 61.98 62.13 2bm2 s VAL 85 Cb -0.29 -2.17 -0.24 0.00 0.00 0.00 0.00 36.38 33.68 2bm2 s VAL 85 CO 0.43 0.56 0.31 -1.54 0.00 0.00 0.00 175.10 174.86 2bm2 n SER 86 N 2.85 0.50 -3.85 3.32 3.41 0.42 -4.73 113.62 115.53 2bm2 n SER 86 Ca -0.18 0.17 -0.12 0.00 -0.26 0.00 0.00 58.87 58.49 2bm2 n SER 86 Cb 0.52 0.45 -0.13 0.00 -0.26 0.00 0.00 64.21 64.80 2bm2 n SER 86 CO 0.00 0.00 0.00 -0.13 -0.16 0.00 0.00 175.04 174.75 2bm2 s ARG 87 N -2.54 0.09 -0.21 4.33 0.52 -0.96 -4.96 118.95 115.23 2bm2 s ARG 87 Ca -0.09 0.07 0.00 0.00 -0.52 0.00 0.00 55.73 55.19 2bm2 s ARG 87 Cb 0.07 0.04 0.02 0.00 0.52 0.00 0.00 34.95 35.60 2bm2 s ARG 87 CO 0.82 -0.01 -0.14 0.42 0.02 0.00 0.00 175.30 176.41 2bm2 s ILE 88 N -0.02 2.43 -0.27 1.52 1.01 -1.26 0.31 121.20 124.92 2bm2 s ILE 88 Ca -0.01 -0.99 0.03 0.00 0.00 0.00 0.00 60.65 59.69 2bm2 s ILE 88 Cb -0.01 -2.13 0.06 0.00 0.01 0.00 0.00 42.46 40.39 2bm2 s ILE 88 CO 0.00 0.38 -0.08 -0.63 0.00 0.00 0.00 174.94 174.61 2bm2 s ILE 89 N 1.30 2.26 -0.14 2.92 1.01 0.51 -4.98 121.20 124.08 2bm2 s ILE 89 Ca 0.02 -1.70 -0.05 0.00 0.00 0.00 0.00 60.65 58.93 2bm2 s ILE 89 Cb -0.15 -2.37 -0.04 0.00 0.01 0.00 0.00 42.46 39.92 2bm2 s ILE 89 CO -0.09 -0.10 0.04 -0.69 0.00 0.00 0.00 174.94 174.10 2bm2 s VAL 90 N 1.09 4.64 0.11 2.92 1.01 -1.26 -1.18 120.40 127.73 2bm2 s VAL 90 Ca -0.06 -0.10 -0.34 0.00 0.00 0.00 0.00 61.98 61.47 2bm2 s VAL 90 Cb -0.20 -3.03 -0.13 0.00 0.00 0.00 0.00 36.38 33.02 2bm2 s VAL 90 CO -0.05 0.53 1.66 1.57 0.00 0.00 0.00 175.10 178.81 2bm2 n HIS 91 N 2.86 2.32 0.29 5.22 -0.00 -1.13 -4.84 115.22 119.94 2bm2 n HIS 91 Ca -0.18 0.18 0.13 0.00 0.46 0.00 0.00 57.72 58.32 2bm2 n HIS 91 Cb 0.53 -2.58 0.85 0.00 -0.12 0.00 0.00 29.99 28.67 2bm2 n HIS 91 CO 0.00 0.00 0.00 -1.00 0.46 0.00 0.00 176.34 175.80 2bm2 h PRO 92 N 6.77 0.00 0.00 1.57 0.13 -1.93 -1.85 132.00 136.68 2bm2 h PRO 92 Ca -0.46 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.67 2bm2 h PRO 92 Cb 1.25 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.38 2bm2 h PRO 92 CO 0.91 0.01 0.00 1.04 -0.23 0.00 0.00 178.00 179.72 2bm2 n GLN 93 N -3.98 0.95 -3.16 0.86 6.02 -1.26 -4.87 117.38 111.95 2bm2 n GLN 93 Ca -0.03 0.00 -0.39 0.00 -0.01 0.00 0.00 57.00 56.57 2bm2 n GLN 93 Cb 0.09 -1.41 -0.05 0.00 1.02 0.00 0.00 30.24 29.88 2bm2 n GLN 93 CO 0.00 0.00 0.00 0.12 -1.01 0.00 0.00 177.06 176.17 2bm2 s PHE 94 N -2.00 3.66 0.00 1.08 5.36 -0.70 -4.69 117.98 120.69 2bm2 s PHE 94 Ca 0.38 1.22 0.00 0.00 -0.96 0.00 0.00 56.93 57.57 2bm2 s PHE 94 Cb 0.17 -2.66 0.00 0.00 -0.34 0.00 0.00 43.02 40.19 2bm2 s PHE 94 CO 0.29 0.28 0.00 0.98 -1.46 0.00 0.00 175.22 175.32 2bm2 n TYR 95 N 2.98 -0.02 -3.90 10.12 9.36 -1.26 -4.88 117.16 129.56 2bm2 n TYR 95 Ca -0.05 0.00 -0.09 0.00 3.32 0.00 0.00 57.90 61.08 2bm2 n TYR 95 Cb 0.51 0.14 -0.08 0.00 -0.63 0.00 0.00 39.34 39.27 2bm2 n TYR 95 CO 0.00 0.00 0.00 0.95 0.22 0.00 0.00 176.86 178.03 2bm2 s THR 96 N -1.27 0.14 0.34 2.97 -4.23 -1.26 -4.55 115.64 107.78 2bm2 s THR 96 Ca 0.00 -1.19 0.19 0.00 -1.18 0.00 0.00 61.69 59.51 2bm2 s THR 96 Cb 0.00 -1.19 0.17 0.00 1.34 0.00 0.00 72.50 72.82 2bm2 s THR 96 CO 0.00 -0.66 1.89 0.00 -0.54 0.00 0.00 174.62 175.31 2bm2 h ALA 97 N 3.12 1.28 -0.07 3.99 0.00 -1.94 -0.94 119.26 124.70 2bm2 h ALA 97 Ca -0.33 -0.26 -0.15 0.00 0.00 0.00 0.00 54.91 54.17 2bm2 h ALA 97 Cb 1.19 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.92 2bm2 h ALA 97 CO 0.55 0.35 -0.61 1.96 0.00 0.00 0.00 179.25 181.50 2bm2 h GLN 98 N 0.00 0.24 0.01 0.00 7.50 -1.97 -2.84 115.11 118.05 2bm2 h GLN 98 Ca -0.00 -0.17 -0.19 0.00 0.50 0.00 0.00 58.65 58.79 2bm2 h GLN 98 Cb 0.60 0.03 -0.02 0.00 0.05 0.00 0.00 27.48 28.14 2bm2 h GLN 98 CO 0.04 0.78 -0.89 0.82 -1.50 0.00 0.00 178.83 178.07 2bm2 h ILE 99 N 0.18 1.57 0.00 2.54 2.04 -1.83 -3.47 117.51 118.54 2bm2 h ILE 99 Ca -0.01 -2.83 0.00 0.00 1.00 0.00 0.00 64.86 63.02 2bm2 h ILE 99 Cb 1.12 2.57 0.00 0.00 -0.74 0.00 0.00 36.82 39.77 2bm2 h ILE 99 CO 0.10 0.82 0.00 0.61 0.00 0.00 0.00 178.15 179.67 2bm2 n GLY 100 N 0.96 -1.04 2.66 5.37 0.00 -0.40 -5.01 105.19 107.72 2bm2 n GLY 100 Ca -0.02 -2.14 -0.21 0.00 0.00 0.00 0.00 46.02 43.65 2bm2 n GLY 100 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2bm2 n ALA 101 N -0.33 -0.76 -2.32 4.61 0.00 -1.26 -4.36 120.51 116.08 2bm2 n ALA 101 Ca 0.00 0.22 -0.43 0.00 0.00 0.00 0.00 53.44 53.23 2bm2 n ALA 101 Cb 0.00 -2.94 0.00 0.00 0.00 0.00 0.00 19.45 16.51 2bm2 n ALA 101 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 2bm2 n ASP 102 N -2.16 4.62 -3.74 0.00 2.03 -1.26 -4.24 116.55 111.80 2bm2 n ASP 102 Ca -0.18 -2.91 -0.13 0.00 0.52 0.00 0.00 54.79 52.08 2bm2 n ASP 102 Cb 0.66 -1.69 -0.09 0.00 -0.72 0.00 0.00 41.12 39.27 2bm2 n ASP 102 CO 0.00 0.00 0.00 -0.51 -1.92 0.00 0.00 177.20 174.77 2bm2 s ILE 103 N 3.49 0.02 0.19 5.18 2.07 -1.26 -3.77 121.20 127.12 2bm2 s ILE 103 Ca 0.50 -0.19 -0.12 0.00 -1.41 0.00 0.00 60.65 59.42 2bm2 s ILE 103 Cb 0.07 -0.60 0.00 0.00 0.13 0.00 0.00 42.46 42.07 2bm2 s ILE 103 CO 0.01 -0.11 0.40 0.00 -1.91 0.00 0.00 174.94 173.33 2bm2 s ALA 104 N -0.50 -0.34 -0.02 1.50 0.00 0.22 -2.83 121.76 119.79 2bm2 s ALA 104 Ca -0.06 -0.68 0.03 0.00 0.00 0.00 0.00 51.96 51.25 2bm2 s ALA 104 Cb -0.04 0.90 -0.00 0.00 0.00 0.00 0.00 23.12 23.98 2bm2 s ALA 104 CO 0.03 -0.74 -0.10 -0.51 0.00 0.00 0.00 175.76 174.44 2bm2 s LEU 105 N -2.95 1.90 -0.17 0.00 1.43 -0.32 -0.91 118.68 117.65 2bm2 s LEU 105 Ca 0.16 -0.20 -0.01 0.00 -1.03 0.00 0.00 54.13 53.05 2bm2 s LEU 105 Cb 0.01 -0.58 -0.00 0.00 0.03 0.00 0.00 46.19 45.65 2bm2 s LEU 105 CO 0.01 0.10 -0.13 -0.76 0.23 0.00 0.00 176.35 175.80 2bm2 s LEU 106 N -0.01 2.56 -0.28 1.79 1.43 0.12 -0.36 118.68 123.93 2bm2 s LEU 106 Ca 0.00 -0.46 -0.16 0.00 -1.03 0.00 0.00 54.13 52.48 2bm2 s LEU 106 Cb -0.07 -1.60 -0.03 0.00 0.03 0.00 0.00 46.19 44.52 2bm2 s LEU 106 CO 0.00 0.06 0.44 -0.70 0.23 0.00 0.00 176.35 176.37 2bm2 s GLU 107 N 1.00 3.97 0.28 1.70 2.12 0.15 -0.77 118.70 127.16 2bm2 s GLU 107 Ca -0.02 0.10 -0.29 0.00 0.36 0.00 0.00 54.97 55.12 2bm2 s GLU 107 Cb -0.15 -3.68 -0.09 0.00 0.26 0.00 0.00 34.13 30.47 2bm2 s GLU 107 CO -0.02 -0.35 1.05 -0.51 -0.54 0.00 0.00 175.26 174.89 2bm2 s LEU 108 N 2.18 4.54 0.53 2.70 1.43 -0.52 0.16 118.68 129.71 2bm2 s LEU 108 Ca 0.17 2.16 0.23 0.00 -1.03 0.00 0.00 54.13 55.67 2bm2 s LEU 108 Cb -0.16 -3.68 1.39 0.00 0.03 0.00 0.00 46.19 43.78 2bm2 s LEU 108 CO 0.10 -0.09 2.05 -0.33 0.23 0.00 0.00 176.35 178.31 2bm2 h GLU 109 N 3.78 0.00 -4.12 1.70 5.08 -1.73 -3.42 114.58 115.87 2bm2 h GLU 109 Ca -0.46 0.00 -0.25 0.00 -1.00 0.00 0.00 59.36 57.65 2bm2 h GLU 109 Cb 1.21 0.00 -0.25 0.00 0.50 0.00 0.00 28.75 30.21 2bm2 h GLU 109 CO 0.67 0.00 -0.73 -2.00 -1.00 0.00 0.00 179.01 175.95 2bm2 s GLU 110 N -4.98 0.30 0.08 2.33 2.56 -1.26 -4.98 118.70 112.75 2bm2 s GLU 110 Ca -0.05 -0.35 -0.31 0.00 0.00 0.00 0.00 54.97 54.26 2bm2 s GLU 110 Cb 0.18 -0.14 -0.07 0.00 2.00 0.00 0.00 34.13 36.10 2bm2 s GLU 110 CO 0.69 0.03 1.31 -1.25 -0.56 0.00 0.00 175.26 175.48 2bm2 s PRO 111 N -0.71 4.36 0.39 4.30 0.04 -1.26 -4.77 135.00 137.35 2bm2 s PRO 111 Ca -0.05 1.94 -0.26 0.00 0.04 0.00 0.00 61.00 62.67 2bm2 s PRO 111 Cb -0.05 -3.32 -0.09 0.00 0.04 0.00 0.00 34.50 31.08 2bm2 s PRO 111 CO -0.00 -0.38 1.28 0.08 0.04 0.00 0.00 177.00 178.02 2bm2 s VAL 112 N 1.22 2.71 -0.66 -0.36 1.01 0.38 -4.93 120.40 119.76 2bm2 s VAL 112 Ca 0.62 0.64 -0.26 0.00 0.00 0.00 0.00 61.98 62.98 2bm2 s VAL 112 Cb -0.33 -3.38 0.04 0.00 0.00 0.00 0.00 36.38 32.71 2bm2 s VAL 112 CO 0.29 0.10 1.15 -0.54 0.00 0.00 0.00 175.10 176.10 2bm2 s LYS 113 N -2.19 3.28 0.36 2.72 -0.14 -1.26 -4.81 119.74 117.70 2bm2 s LYS 113 Ca 0.56 -0.21 -0.27 0.00 -1.36 0.00 0.00 55.97 54.68 2bm2 s LYS 113 Cb -0.37 -4.13 -0.09 0.00 -1.68 0.00 0.00 37.83 31.56 2bm2 s LYS 113 CO 0.48 -1.87 1.23 0.14 -0.76 0.00 0.00 175.35 174.57 2bm2 s VAL 114 N 4.99 2.96 0.00 3.17 -7.23 -1.26 -4.95 120.40 118.07 2bm2 s VAL 114 Ca 0.34 0.90 0.00 0.00 -1.81 0.00 0.00 61.98 61.41 2bm2 s VAL 114 Cb -0.10 -3.55 0.00 0.00 0.56 0.00 0.00 36.38 33.29 2bm2 s VAL 114 CO 0.18 0.16 0.00 -1.54 -0.31 0.00 0.00 175.10 173.59 2bm2 n SER 115 N 0.54 0.53 0.03 4.85 3.41 -0.14 -5.00 113.62 117.83 2bm2 n SER 115 Ca 0.02 -0.20 -0.10 0.00 -0.26 0.00 0.00 58.87 58.32 2bm2 n SER 115 Cb 0.44 0.00 -0.13 0.00 -0.26 0.00 0.00 64.21 64.26 2bm2 n SER 115 CO 0.00 0.00 0.00 -1.28 -0.16 0.00 0.00 175.04 173.60 2bm2 h SER 116 N 0.00 0.09 1.48 4.04 0.87 -2.02 -3.32 113.55 114.70 2bm2 h SER 116 Ca 0.00 -0.13 -0.11 0.00 -1.23 0.00 0.00 61.79 60.32 2bm2 h SER 116 Cb 0.00 -0.03 -0.02 0.00 -0.44 0.00 0.00 62.40 61.91 2bm2 h SER 116 CO 0.00 1.11 -0.52 -0.74 -0.53 0.00 0.00 176.83 176.15 2bm2 h HIS 117 N 0.02 0.00 -3.14 2.24 -0.00 -1.96 -3.44 115.15 108.86 2bm2 h HIS 117 Ca -0.16 0.00 -0.43 0.00 -0.00 0.00 0.00 60.37 59.79 2bm2 h HIS 117 Cb 1.91 0.00 -0.40 0.00 -0.00 0.00 0.00 27.41 28.92 2bm2 h HIS 117 CO 0.01 0.50 -0.75 0.54 -0.00 0.00 0.00 177.93 178.24 2bm2 s VAL 118 N -2.96 -0.10 0.36 5.26 0.11 -1.25 -4.46 120.40 117.37 2bm2 s VAL 118 Ca 0.04 0.05 -0.06 0.00 -2.93 0.00 0.00 61.98 59.08 2bm2 s VAL 118 Cb 0.08 -0.42 0.02 0.00 -1.53 0.00 0.00 36.38 34.52 2bm2 s VAL 118 CO 0.75 -0.11 0.58 -1.38 -3.33 0.00 0.00 175.10 171.60 2bm2 s HIS 119 N 2.15 0.82 0.75 1.54 -3.43 -1.02 -0.97 115.29 115.14 2bm2 s HIS 119 Ca 0.03 -1.18 -0.11 0.00 -0.80 0.00 0.00 55.06 53.00 2bm2 s HIS 119 Cb -0.15 0.18 0.04 0.00 -1.43 0.00 0.00 32.58 31.23 2bm2 s HIS 119 CO -0.07 -1.29 1.08 0.95 -2.00 0.00 0.00 174.74 173.42 2bm2 s THR 120 N -2.74 3.49 0.10 -5.38 -4.23 -1.26 -3.13 115.64 102.48 2bm2 s THR 120 Ca 0.26 0.49 0.05 0.00 -1.18 0.00 0.00 61.69 61.31 2bm2 s THR 120 Cb -0.02 -3.03 -0.04 0.00 1.34 0.00 0.00 72.50 70.75 2bm2 s THR 120 CO 0.18 -0.63 0.02 0.54 -0.54 0.00 0.00 174.62 174.20 2bm2 s VAL 121 N -2.92 4.10 0.21 2.29 0.11 -0.19 -4.81 120.40 119.19 2bm2 s VAL 121 Ca 0.61 -0.98 -0.30 0.00 -2.93 0.00 0.00 61.98 58.37 2bm2 s VAL 121 Cb -0.16 -2.97 -0.08 0.00 -1.53 0.00 0.00 36.38 31.63 2bm2 s VAL 121 CO 0.55 0.10 0.93 -0.89 -3.33 0.00 0.00 175.10 172.46 2bm2 s THR 122 N -1.37 4.18 0.31 5.04 2.01 -1.25 -4.66 115.64 119.89 2bm2 s THR 122 Ca 0.27 2.06 -0.15 0.00 0.31 0.00 0.00 61.69 64.18 2bm2 s THR 122 Cb -0.12 -4.32 -0.09 0.00 0.01 0.00 0.00 72.50 67.99 2bm2 s THR 122 CO 0.19 0.46 0.72 -0.76 -0.69 0.00 0.00 174.62 174.54 2bm2 s LEU 123 N -0.94 4.09 0.59 4.42 1.43 -1.26 -1.64 118.68 125.38 2bm2 s LEU 123 Ca 0.42 1.25 -0.08 0.00 -1.03 0.00 0.00 54.13 54.69 2bm2 s LEU 123 Cb -0.25 -4.01 -0.02 0.00 0.03 0.00 0.00 46.19 41.94 2bm2 s LEU 123 CO 0.31 -0.18 0.95 -2.16 0.23 0.00 0.00 176.35 175.50 2bm2 s PRO 124 N -2.90 3.28 0.40 1.29 0.04 -1.26 -4.85 135.00 131.00 2bm2 s PRO 124 Ca 0.53 0.37 -0.23 0.00 0.04 0.00 0.00 61.00 61.71 2bm2 s PRO 124 Cb -0.11 -2.19 -0.10 0.00 0.04 0.00 0.00 34.50 32.15 2bm2 s PRO 124 CO 0.18 -0.60 1.00 -1.25 0.04 0.00 0.00 177.00 176.37 2bm2 s PRO 125 N -5.06 4.24 0.60 0.56 0.04 -1.26 -4.88 135.00 129.24 2bm2 s PRO 125 Ca 0.53 1.35 0.29 0.00 0.04 0.00 0.00 61.00 63.21 2bm2 s PRO 125 Cb -0.11 -2.46 1.32 0.00 0.04 0.00 0.00 34.50 33.30 2bm2 s PRO 125 CO 0.49 -0.05 1.71 0.00 0.04 0.00 0.00 177.00 179.20 2bm2 h ALA 126 N 2.40 2.42 0.00 8.56 0.00 -1.97 -0.14 119.26 130.52 2bm2 h ALA 126 Ca -0.48 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.40 2bm2 h ALA 126 Cb 1.20 0.05 -0.00 0.00 0.00 0.00 0.00 17.79 19.04 2bm2 h ALA 126 CO 0.62 -1.04 -0.28 1.03 0.00 0.00 0.00 179.25 179.57 2bm2 h SER 127 N 0.00 0.00 -2.20 0.00 0.87 -1.96 -3.46 113.55 106.79 2bm2 h SER 127 Ca 0.30 0.00 -0.57 0.00 -1.23 0.00 0.00 61.79 60.29 2bm2 h SER 127 Cb 1.73 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.69 2bm2 h SER 127 CO -0.00 0.00 1.38 -0.70 -0.53 0.00 0.00 176.83 176.98 2bm2 s GLU 128 N -3.25 3.46 0.10 2.24 2.56 -0.07 -4.87 118.70 118.87 2bm2 s GLU 128 Ca 0.05 2.11 0.19 0.00 0.00 0.00 0.00 54.97 57.32 2bm2 s GLU 128 Cb 0.06 -4.28 -0.10 0.00 2.00 0.00 0.00 34.13 31.81 2bm2 s GLU 128 CO 0.70 -1.73 0.87 2.41 -0.56 0.00 0.00 175.26 176.96 2bm2 n THR 129 N 7.05 0.92 -3.17 -1.70 -1.04 -1.26 -4.91 114.28 110.17 2bm2 n THR 129 Ca 0.26 -0.63 -0.06 0.00 -2.04 0.00 0.00 64.05 61.58 2bm2 n THR 129 Cb 0.44 -0.55 0.00 0.00 -1.82 0.00 0.00 70.33 68.41 2bm2 n THR 129 CO 0.00 0.00 0.00 0.49 -0.64 0.00 0.00 175.07 174.92 2bm2 n PHE 130 N -2.77 -2.88 -1.66 -1.42 3.72 -1.26 -4.98 117.46 106.20 2bm2 n PHE 130 Ca -0.06 1.12 -0.29 0.00 -0.05 0.00 0.00 57.45 58.16 2bm2 n PHE 130 Cb 0.73 -3.83 0.10 0.00 -0.94 0.00 0.00 39.48 35.54 2bm2 n PHE 130 CO 0.00 0.00 0.00 -1.25 -0.05 0.00 0.00 176.76 175.46 2bm2 s PRO 131 N -3.27 1.78 0.18 -1.08 0.04 -1.26 -4.91 135.00 126.48 2bm2 s PRO 131 Ca 0.04 0.37 -0.33 0.00 0.04 0.00 0.00 61.00 61.12 2bm2 s PRO 131 Cb -0.01 -1.91 -0.14 0.00 0.04 0.00 0.00 34.50 32.49 2bm2 s PRO 131 CO 0.78 -1.78 1.57 -2.30 0.04 0.00 0.00 177.00 175.31 2bm2 n PRO 132 N -3.49 2.22 0.00 0.56 -0.02 -1.26 -2.87 135.00 130.14 2bm2 n PRO 132 Ca 0.07 0.80 0.00 0.00 -2.02 0.00 0.00 63.50 62.35 2bm2 n PRO 132 Cb 0.59 -2.56 0.00 0.00 -0.02 0.00 0.00 33.50 31.51 2bm2 n PRO 132 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2bm2 n GLY 133 N 3.23 0.83 3.77 -1.23 0.00 -1.26 -5.02 105.19 105.51 2bm2 n GLY 133 Ca 0.16 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.78 2bm2 n GLY 133 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 2bm2 s MET 134 N -0.40 4.50 -0.44 1.61 0.00 -1.14 -5.02 119.30 118.42 2bm2 s MET 134 Ca 0.00 1.08 -0.29 0.00 0.00 0.00 0.00 55.69 56.48 2bm2 s MET 134 Cb 0.00 -3.28 0.03 0.00 0.00 0.00 0.00 34.83 31.58 2bm2 s MET 134 CO 0.00 0.52 1.14 -1.25 0.00 0.00 0.00 175.02 175.43 2bm2 s PRO 135 N -0.91 3.80 0.05 4.11 0.04 -1.26 -4.68 135.00 136.14 2bm2 s PRO 135 Ca 0.35 0.70 0.05 0.00 0.04 0.00 0.00 61.00 62.14 2bm2 s PRO 135 Cb -0.22 -3.87 -0.02 0.00 0.04 0.00 0.00 34.50 30.42 2bm2 s PRO 135 CO 0.25 -1.28 -0.14 0.00 0.04 0.00 0.00 177.00 175.86 2bm2 s TRP 137 N -1.00 1.48 -0.13 0.00 0.52 0.11 -1.42 118.94 118.49 2bm2 s TRP 137 Ca 0.00 -0.28 -0.04 0.00 0.02 0.00 0.00 56.10 55.80 2bm2 s TRP 137 Cb -0.09 -0.95 -0.03 0.00 -1.15 0.00 0.00 33.47 31.25 2bm2 s TRP 137 CO 0.02 -0.02 0.02 0.08 0.02 0.00 0.00 176.95 177.06 2bm2 s VAL 138 N -0.39 4.41 0.20 4.03 1.01 -0.90 -1.24 120.40 127.51 2bm2 s VAL 138 Ca 0.06 -0.19 0.10 0.00 0.00 0.00 0.00 61.98 61.95 2bm2 s VAL 138 Cb -0.06 -2.92 -0.04 0.00 0.00 0.00 0.00 36.38 33.35 2bm2 s VAL 138 CO -0.01 0.53 -0.20 0.42 0.00 0.00 0.00 175.10 175.85 2bm2 s THR 139 N -0.19 2.07 -4.36 3.92 -4.23 -1.11 -2.67 115.64 109.06 2bm2 s THR 139 Ca 0.06 -2.06 0.00 0.00 -1.18 0.00 0.00 61.69 58.50 2bm2 s THR 139 Cb -0.12 -2.02 0.00 0.00 1.34 0.00 0.00 72.50 71.70 2bm2 s THR 139 CO 0.02 -0.30 0.00 0.61 -0.54 0.00 0.00 174.62 174.41 2bm2 n GLY 140 N 0.07 -2.42 0.72 3.99 0.00 -0.66 -4.49 105.19 102.40 2bm2 n GLY 140 Ca -0.11 -1.26 0.04 0.00 0.00 0.00 0.00 46.02 44.68 2bm2 n GLY 140 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 2bm2 n TRP 141 N 1.08 0.29 -1.62 1.61 8.01 -1.26 -1.01 117.44 124.54 2bm2 n TRP 141 Ca 0.00 -1.50 -0.12 0.00 -1.31 0.00 0.00 57.50 54.57 2bm2 n TRP 141 Cb 0.00 -0.31 0.08 0.00 -2.01 0.00 0.00 31.31 29.07 2bm2 n TRP 141 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09 2bm2 n GLY 142 N -1.13 -0.83 3.75 6.99 0.00 -1.26 -4.68 105.19 108.03 2bm2 n GLY 142 Ca 0.23 -1.76 -0.41 0.00 0.00 0.00 0.00 46.02 44.08 2bm2 n GLY 142 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2bm2 n ASP 143 N -3.27 3.34 -0.05 1.61 10.43 0.15 -3.28 116.55 125.48 2bm2 n ASP 143 Ca 0.07 1.17 0.16 0.00 2.57 0.00 0.00 54.79 58.76 2bm2 n ASP 143 Cb 0.25 -1.58 0.90 0.00 1.84 0.00 0.00 41.12 42.53 2bm2 n ASP 143 CO 0.00 0.00 0.00 1.33 -1.07 0.00 0.00 177.20 177.46 2bm2 n VAL 144 N 0.11 0.00 0.00 2.53 0.24 0.29 -1.09 118.33 120.41 2bm2 n VAL 144 Ca 0.04 -0.02 0.00 0.00 -2.04 0.00 0.00 64.34 62.31 2bm2 n VAL 144 Cb 0.39 -0.40 0.00 0.00 -1.47 0.00 0.00 33.84 32.36 2bm2 n VAL 144 CO 0.00 0.00 0.00 -0.67 -2.14 0.00 0.00 176.83 174.02 2bm2 n ASP 145 N -0.89 0.00 -4.68 -1.34 4.64 -1.21 -4.48 116.55 108.59 2bm2 n ASP 145 Ca 0.23 0.00 -0.54 0.00 -1.38 0.00 0.00 54.79 53.10 2bm2 n ASP 145 Cb 0.14 0.00 -0.06 0.00 -1.04 0.00 0.00 41.12 40.15 2bm2 n ASP 145 CO 0.00 0.00 0.00 0.59 -0.82 0.00 0.00 177.20 176.97 2bm2 n ASN 146 N 0.00 2.43 -3.93 1.67 3.02 -1.26 -0.43 115.26 116.75 2bm2 n ASN 146 Ca 0.00 1.07 -0.28 0.00 -0.03 0.00 0.00 54.58 55.34 2bm2 n ASN 146 Cb 0.00 -1.20 0.01 0.00 -0.61 0.00 0.00 39.78 37.97 2bm2 n ASN 146 CO 0.00 0.00 0.00 -0.67 -2.62 0.00 0.00 177.26 173.97 2bm2 n ASP 147 N 4.83 -2.63 -3.55 6.41 2.03 -1.26 -4.96 116.55 117.42 2bm2 n ASP 147 Ca 0.24 -0.89 -0.29 0.00 0.52 0.00 0.00 54.79 54.37 2bm2 n ASP 147 Cb 0.18 -3.52 -0.14 0.00 -0.72 0.00 0.00 41.12 36.92 2bm2 n ASP 147 CO 0.00 0.00 0.00 -0.70 -1.92 0.00 0.00 177.20 174.58 2bm2 s GLU 149 N -6.52 0.49 0.79 -0.67 2.12 0.42 -5.09 118.70 110.24 2bm2 s GLU 149 Ca 0.37 -1.04 -0.14 0.00 0.36 0.00 0.00 54.97 54.52 2bm2 s GLU 149 Cb -0.19 -1.42 0.07 0.00 0.26 0.00 0.00 34.13 32.86 2bm2 s GLU 149 CO 0.86 -1.10 1.22 1.03 -0.54 0.00 0.00 175.26 176.72 2bm2 s ARG 150 N 1.48 1.72 0.00 4.30 1.81 -1.26 -0.55 118.95 126.45 2bm2 s ARG 150 Ca 0.13 1.79 0.00 0.00 -1.72 0.00 0.00 55.73 55.93 2bm2 s ARG 150 Cb -0.20 -1.78 0.00 0.00 -0.45 0.00 0.00 34.95 32.52 2bm2 s ARG 150 CO -0.17 -2.16 0.00 -0.11 -0.68 0.00 0.00 175.30 172.18 2bm2 n LEU 151 N -3.16 0.00 -1.22 2.53 7.94 -1.26 -4.39 117.00 117.44 2bm2 n LEU 151 Ca 0.14 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 55.04 2bm2 n LEU 151 Cb 0.50 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.45 2bm2 n LEU 151 CO 0.48 -0.61 0.00 -0.81 -1.11 0.00 0.00 177.39 175.34 2bm2 n PRO 152 N -0.79 0.00 -3.59 1.96 -0.04 -1.26 -4.99 135.00 126.29 2bm2 n PRO 152 Ca 0.00 0.00 -0.26 0.00 -0.04 0.00 0.00 63.50 63.20 2bm2 n PRO 152 Cb 0.00 -0.39 0.03 0.00 -0.04 0.00 0.00 33.50 33.10 2bm2 n PRO 152 CO 0.00 0.00 0.00 1.19 -0.04 0.00 0.00 175.50 176.65 2bm2 n PHE 153 N 0.41 -2.10 -2.68 0.54 3.72 -1.26 -3.93 117.46 112.17 2bm2 n PHE 153 Ca 0.00 0.61 -0.33 0.00 -0.05 0.00 0.00 57.45 57.68 2bm2 n PHE 153 Cb 0.00 -3.47 -0.06 0.00 -0.94 0.00 0.00 39.48 35.01 2bm2 n PHE 153 CO 0.00 0.00 0.00 -1.25 -0.05 0.00 0.00 176.76 175.46 2bm2 s PRO 154 N -5.35 4.09 0.03 -1.08 0.04 -1.26 -1.53 135.00 129.93 2bm2 s PRO 154 Ca 0.35 1.13 -0.30 0.00 0.04 0.00 0.00 61.00 62.21 2bm2 s PRO 154 Cb -0.12 -2.15 -0.06 0.00 0.04 0.00 0.00 34.50 32.20 2bm2 s PRO 154 CO 0.85 -0.16 1.43 -1.17 0.04 0.00 0.00 177.00 177.98 2bm2 s LEU 155 N -3.43 4.33 0.25 -3.56 2.96 -0.96 -4.77 118.68 113.49 2bm2 s LEU 155 Ca 0.62 2.19 0.07 0.00 -0.22 0.00 0.00 54.13 56.79 2bm2 s LEU 155 Cb -0.10 -3.57 -0.04 0.00 0.50 0.00 0.00 46.19 42.98 2bm2 s LEU 155 CO 0.18 -0.72 0.18 -0.54 -1.32 0.00 0.00 176.35 174.13 2bm2 s LYS 156 N 2.20 2.88 0.02 1.98 1.02 -0.18 0.03 119.74 127.70 2bm2 s LYS 156 Ca 0.65 -1.06 0.00 0.00 0.02 0.00 0.00 55.97 55.58 2bm2 s LYS 156 Cb -0.33 -2.54 -0.02 0.00 -0.52 0.00 0.00 37.83 34.41 2bm2 s LYS 156 CO 0.28 0.41 -0.03 1.14 -0.92 0.00 0.00 175.35 176.22 2bm2 s GLN 157 N -3.77 0.34 -0.24 1.68 -2.07 0.15 -1.66 119.66 114.10 2bm2 s GLN 157 Ca 0.33 -0.65 -0.14 0.00 -1.82 0.00 0.00 55.36 53.08 2bm2 s GLN 157 Cb -0.08 0.08 0.07 0.00 -1.09 0.00 0.00 33.01 31.99 2bm2 s GLN 157 CO 0.24 -0.04 0.58 0.54 -1.32 0.00 0.00 175.29 175.29 2bm2 s VAL 158 N -1.57 -0.01 0.03 3.63 0.11 -1.09 0.12 120.40 121.62 2bm2 s VAL 158 Ca -0.14 0.03 -0.30 0.00 -2.93 0.00 0.00 61.98 58.64 2bm2 s VAL 158 Cb -0.09 -0.84 -0.04 0.00 -1.53 0.00 0.00 36.38 33.88 2bm2 s VAL 158 CO -0.01 0.01 0.96 -0.75 -3.33 0.00 0.00 175.10 171.98 2bm2 s LYS 159 N 1.47 4.59 -0.04 1.54 2.36 -1.26 -2.13 119.74 126.28 2bm2 s LYS 159 Ca -0.09 1.40 0.05 0.00 -2.55 0.00 0.00 55.97 54.77 2bm2 s LYS 159 Cb -0.06 -3.43 -0.01 0.00 -1.05 0.00 0.00 37.83 33.28 2bm2 s LYS 159 CO -0.16 0.03 -0.17 0.14 1.55 0.00 0.00 175.35 176.74 2bm2 s VAL 160 N 0.70 1.41 0.14 4.02 -7.23 -0.51 -4.92 120.40 114.02 2bm2 s VAL 160 Ca 0.50 -0.72 -0.30 0.00 -1.81 0.00 0.00 61.98 59.65 2bm2 s VAL 160 Cb -0.22 -1.20 -0.07 0.00 0.56 0.00 0.00 36.38 35.45 2bm2 s VAL 160 CO 0.28 0.41 1.10 -2.16 -0.31 0.00 0.00 175.10 174.42 2bm2 s PRO 161 N -0.08 4.56 0.44 4.82 0.04 -1.26 -4.34 135.00 139.19 2bm2 s PRO 161 Ca -0.01 1.69 -0.13 0.00 0.04 0.00 0.00 61.00 62.60 2bm2 s PRO 161 Cb -0.10 -3.31 -0.07 0.00 0.04 0.00 0.00 34.50 31.06 2bm2 s PRO 161 CO 0.01 0.01 0.84 0.42 0.04 0.00 0.00 177.00 178.33 2bm2 s ILE 162 N 0.13 4.70 -0.01 0.56 1.09 -1.26 -1.13 121.20 125.27 2bm2 s ILE 162 Ca 0.51 0.83 0.00 0.00 -1.10 0.00 0.00 60.65 60.90 2bm2 s ILE 162 Cb -0.28 -3.73 0.01 0.00 -1.06 0.00 0.00 42.46 37.40 2bm2 s ILE 162 CO 0.33 -0.58 0.00 -0.32 -0.10 0.00 0.00 174.94 174.27 2bm2 s MET 163 N -3.92 0.11 0.36 2.79 -2.45 -0.75 -4.48 119.30 110.96 2bm2 s MET 163 Ca 0.54 0.05 -0.28 0.00 -1.25 0.00 0.00 55.69 54.75 2bm2 s MET 163 Cb -0.10 -0.23 -0.12 0.00 1.25 0.00 0.00 34.83 35.63 2bm2 s MET 163 CO 0.31 -0.07 1.35 -1.91 1.05 0.00 0.00 175.02 175.76 2bm2 n GLU 164 N 3.62 2.28 -0.25 4.11 0.00 -1.26 -4.12 120.64 125.01 2bm2 n GLU 164 Ca -0.20 0.80 0.06 0.00 0.00 0.00 0.00 57.16 57.82 2bm2 n GLU 164 Cb 0.55 -2.45 0.19 0.00 0.00 0.00 0.00 31.44 29.73 2bm2 n GLU 164 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 177.13 176.22 2bm2 h ASN 165 N 2.62 -0.04 -0.61 4.31 -0.26 -1.93 -1.00 115.58 118.67 2bm2 h ASN 165 Ca -0.48 0.16 -0.04 0.00 -0.56 0.00 0.00 56.30 55.38 2bm2 h ASN 165 Cb 1.27 0.22 -0.03 0.00 -1.06 0.00 0.00 38.32 38.73 2bm2 h ASN 165 CO 0.63 -0.07 0.23 -0.74 -1.06 0.00 0.00 177.43 176.41 2bm2 h HIS 166 N 0.24 0.95 -0.17 1.19 -0.00 -1.93 0.12 115.15 115.55 2bm2 h HIS 166 Ca 0.43 -0.08 -0.06 0.00 -0.00 0.00 0.00 60.37 60.66 2bm2 h HIS 166 Cb 0.76 -0.28 -0.00 0.00 -0.00 0.00 0.00 27.41 27.88 2bm2 h HIS 166 CO -0.28 0.76 -0.11 0.82 -0.00 0.00 0.00 177.93 179.12 2bm2 h ILE 167 N 0.86 1.32 -0.60 6.26 1.08 -1.78 -2.17 117.51 122.49 2bm2 h ILE 167 Ca 0.20 -1.21 0.04 0.00 -0.39 0.00 0.00 64.86 63.50 2bm2 h ILE 167 Cb 0.23 1.74 -0.04 0.00 -3.07 0.00 0.00 36.82 35.68 2bm2 h ILE 167 CO -0.01 0.36 0.35 0.00 -0.69 0.00 0.00 178.15 178.15 2bm2 h ASP 169 N 0.67 -0.20 -0.30 0.00 -0.00 -0.68 -1.50 116.42 114.42 2bm2 h ASP 169 Ca 0.25 0.04 -0.03 0.00 -0.00 0.00 0.00 57.03 57.29 2bm2 h ASP 169 Cb 0.08 0.10 -0.02 0.00 -0.00 0.00 0.00 39.33 39.49 2bm2 h ASP 169 CO -0.13 -0.10 0.09 0.00 -0.00 0.00 0.00 179.24 179.11 2bm2 h ALA 170 N 0.95 1.48 -0.71 -0.78 0.00 -0.92 -2.13 119.26 117.15 2bm2 h ALA 170 Ca 0.05 -0.14 0.01 0.00 0.00 0.00 0.00 54.91 54.82 2bm2 h ALA 170 Cb 0.16 -0.16 -0.04 0.00 0.00 0.00 0.00 17.79 17.75 2bm2 h ALA 170 CO -0.11 0.39 0.47 -0.22 0.00 0.00 0.00 179.25 179.78 2bm2 h LYS 171 N 0.53 0.93 0.00 0.00 3.64 -0.24 -0.66 116.57 120.78 2bm2 h LYS 171 Ca 0.13 -0.06 0.00 0.00 -1.27 0.00 0.00 60.65 59.45 2bm2 h LYS 171 Cb 0.20 -0.21 0.00 0.00 -0.41 0.00 0.00 32.23 31.81 2bm2 h LYS 171 CO -0.00 0.62 0.00 0.66 -2.27 0.00 0.00 179.45 178.45 2bm2 n TYR 172 N -4.59 0.62 0.37 1.91 4.02 -0.62 -1.74 117.16 117.12 2bm2 n TYR 172 Ca 0.07 0.28 0.12 0.00 -0.01 0.00 0.00 57.90 58.35 2bm2 n TYR 172 Cb 0.02 -0.95 0.10 0.00 -0.02 0.00 0.00 39.34 38.50 2bm2 n TYR 172 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 176.86 176.30 2bm2 h HIS 173 N 0.00 0.00 -2.63 -0.72 3.86 -1.03 -3.43 115.15 111.21 2bm2 h HIS 173 Ca 0.00 0.00 -0.53 0.00 -1.16 0.00 0.00 60.37 58.68 2bm2 h HIS 173 Cb 0.18 0.00 0.03 0.00 1.06 0.00 0.00 27.41 28.68 2bm2 h HIS 173 CO 0.00 0.00 1.04 -0.51 0.86 0.00 0.00 177.93 179.32 2bm2 s LEU 173 N -4.78 4.38 -0.62 2.43 1.02 -0.71 -1.08 118.68 119.31 2bm2 s LEU 173 Ca 0.04 2.65 0.00 0.00 0.02 0.00 0.00 54.13 56.84 2bm2 s LEU 173 Cb 0.11 -3.57 0.00 0.00 0.02 0.00 0.00 46.19 42.75 2bm2 s LEU 173 CO 0.75 -0.94 0.00 0.61 0.02 0.00 0.00 176.35 176.78 2bm2 n GLY 173 N 4.08 0.83 3.23 -3.19 0.00 -1.26 -5.02 105.19 103.86 2bm2 n GLY 173 Ca 0.17 -0.76 -0.16 0.00 0.00 0.00 0.00 46.02 45.27 2bm2 n GLY 173 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2bm2 s ALA 173 N -2.21 1.38 -0.48 4.61 0.00 -0.24 -5.02 121.76 119.79 2bm2 s ALA 173 Ca 0.00 -1.33 0.24 0.00 0.00 0.00 0.00 51.96 50.87 2bm2 s ALA 173 Cb 0.00 -0.01 0.39 0.00 0.00 0.00 0.00 23.12 23.50 2bm2 s ALA 173 CO 0.00 0.00 1.54 1.88 0.00 0.00 0.00 175.76 179.19 2bm2 h TYR 173 N 3.30 0.00 -2.45 0.00 0.05 -1.95 -3.47 116.97 112.44 2bm2 h TYR 173 Ca -0.38 0.00 -0.60 0.00 0.05 0.00 0.00 58.73 57.80 2bm2 h TYR 173 Cb 1.19 0.00 0.08 0.00 1.01 0.00 0.00 36.73 39.02 2bm2 h TYR 173 CO 0.65 0.00 0.49 2.41 -1.05 0.00 0.00 178.16 180.66 2bm2 n THR 173 N -2.81 0.98 0.00 -2.88 -1.04 -1.26 -5.16 114.28 102.12 2bm2 n THR 173 Ca 0.04 -0.25 0.00 0.00 -2.04 0.00 0.00 64.05 61.80 2bm2 n THR 173 Cb 0.51 -1.27 0.00 0.00 -1.82 0.00 0.00 70.33 67.75 2bm2 n THR 173 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 2bm2 n GLY 173 N 2.06 -2.93 0.00 3.41 0.00 -1.26 -4.90 105.19 101.57 2bm2 n GLY 173 Ca 0.12 -0.76 0.00 0.00 0.00 0.00 0.00 46.02 45.39 2bm2 n GLY 173 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2bm2 n ASP 173 N 0.00 0.00 -4.64 1.61 3.85 -1.26 -4.73 116.55 111.39 2bm2 n ASP 173 Ca 0.00 0.00 -0.38 0.00 -0.71 0.00 0.00 54.79 53.70 2bm2 n ASP 173 Cb 0.00 0.00 -0.09 0.00 -1.35 0.00 0.00 41.12 39.68 2bm2 n ASP 173 CO 0.00 0.00 0.00 -0.69 -1.01 0.00 0.00 177.20 175.50 2bm2 s VAL 173 N 0.00 5.28 -0.00 2.12 1.01 -1.26 -5.04 120.40 122.50 2bm2 s VAL 173 Ca 0.00 0.35 -0.30 0.00 0.00 0.00 0.00 61.98 62.03 2bm2 s VAL 173 Cb 0.00 -3.59 -0.04 0.00 0.00 0.00 0.00 36.38 32.75 2bm2 s VAL 173 CO 0.00 0.27 1.21 -0.13 0.00 0.00 0.00 175.10 176.45 2bm2 s ARG 174 N 1.45 4.38 -0.27 2.72 0.52 -1.26 -4.91 118.95 121.58 2bm2 s ARG 174 Ca 0.11 1.73 -0.13 0.00 -0.52 0.00 0.00 55.73 56.91 2bm2 s ARG 174 Cb -0.15 -3.48 -0.12 0.00 0.52 0.00 0.00 34.95 31.73 2bm2 s ARG 174 CO 0.08 -0.37 -0.35 -0.89 0.02 0.00 0.00 175.30 173.79 2bm2 n ILE 175 N 4.34 1.49 -3.42 1.52 5.41 -1.26 -4.88 119.36 122.56 2bm2 n ILE 175 Ca 0.10 -0.38 -0.39 0.00 1.00 0.00 0.00 62.75 63.08 2bm2 n ILE 175 Cb 0.46 -1.86 -0.09 0.00 -0.71 0.00 0.00 39.64 37.44 2bm2 n ILE 175 CO 0.00 0.00 0.00 -0.69 0.00 0.00 0.00 176.55 175.86 2bm2 s VAL 176 N -2.50 5.19 0.52 1.39 1.01 -1.26 -5.00 120.40 119.76 2bm2 s VAL 176 Ca -0.38 0.54 0.07 0.00 0.00 0.00 0.00 61.98 62.21 2bm2 s VAL 176 Cb 0.14 -3.68 0.05 0.00 0.00 0.00 0.00 36.38 32.89 2bm2 s VAL 176 CO 0.48 0.18 0.72 -0.13 0.00 0.00 0.00 175.10 176.35 2bm2 s ARG 177 N 1.93 2.50 0.52 2.72 0.52 -1.26 -4.81 118.95 121.06 2bm2 s ARG 177 Ca 0.15 -1.28 0.16 0.00 -0.52 0.00 0.00 55.73 54.24 2bm2 s ARG 177 Cb -0.16 -2.64 1.27 0.00 0.52 0.00 0.00 34.95 33.95 2bm2 s ARG 177 CO 0.10 -0.65 2.14 -0.44 0.02 0.00 0.00 175.30 176.47 2bm2 h ASP 178 N 0.28 0.00 -0.21 0.23 3.32 -1.99 -0.60 116.42 117.45 2bm2 h ASP 178 Ca -0.37 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.68 2bm2 h ASP 178 Cb 1.28 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.83 2bm2 h ASP 178 CO 0.44 0.02 0.00 -0.90 -1.72 0.00 0.00 179.24 177.08 2bm2 n ASP 179 N -4.49 2.23 -4.50 6.45 3.85 -1.26 -4.87 116.55 113.95 2bm2 n ASP 179 Ca -0.03 -2.22 -0.24 0.00 -0.71 0.00 0.00 54.79 51.59 2bm2 n ASP 179 Cb 0.10 -0.44 -0.10 0.00 -1.35 0.00 0.00 41.12 39.33 2bm2 n ASP 179 CO 0.00 0.00 0.00 -0.04 -1.01 0.00 0.00 177.20 176.15 2bm2 s MET 180 N -1.62 1.72 -0.04 0.11 -1.94 -0.23 -1.11 119.30 116.19 2bm2 s MET 180 Ca 0.18 -1.90 -0.02 0.00 -1.71 0.00 0.00 55.69 52.24 2bm2 s MET 180 Cb 0.13 -1.44 0.02 0.00 2.01 0.00 0.00 34.83 35.54 2bm2 s MET 180 CO 0.07 0.06 0.09 -1.17 -0.01 0.00 0.00 175.02 174.06 2bm2 s LEU 181 N -3.55 1.45 0.02 -0.03 1.98 0.18 -4.60 118.68 114.13 2bm2 s LEU 181 Ca 0.32 0.17 0.02 0.00 -2.89 0.00 0.00 54.13 51.75 2bm2 s LEU 181 Cb 0.04 0.25 -0.04 0.00 0.66 0.00 0.00 46.19 47.11 2bm2 s LEU 181 CO 0.15 -0.06 0.02 0.00 -1.89 0.00 0.00 176.35 174.57 2bm2 s ALA 183 N -1.17 -1.75 0.00 0.00 0.00 -0.83 -1.81 121.76 116.19 2bm2 s ALA 183 Ca 0.22 1.05 0.00 0.00 0.00 0.00 0.00 51.96 53.23 2bm2 s ALA 183 Cb -0.12 0.24 0.00 0.00 0.00 0.00 0.00 23.12 23.25 2bm2 s ALA 183 CO 0.13 -0.54 0.00 0.41 0.00 0.00 0.00 175.76 175.76 2bm2 n GLY 184 N 0.28 1.73 0.00 0.00 0.00 -0.28 -1.24 105.19 105.68 2bm2 n GLY 184 Ca -0.15 -2.08 0.00 0.00 0.00 0.00 0.00 46.02 43.79 2bm2 n GLY 184 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 2bm2 n ASN 185 N 0.00 0.00 0.00 1.61 0.23 -0.76 -4.69 115.26 111.64 2bm2 n ASN 185 Ca 0.00 -0.81 0.08 0.00 -0.53 0.00 0.00 54.58 53.33 2bm2 n ASN 185 Cb 0.00 0.00 0.49 0.00 -2.08 0.00 0.00 39.78 38.19 2bm2 n ASN 185 CO 0.00 0.00 0.00 0.35 -0.93 0.00 0.00 177.26 176.68 2bm2 n THR 186 N 0.00 0.07 -0.36 5.53 -2.24 -1.26 -3.42 114.28 112.59 2bm2 n THR 186 Ca 0.00 0.02 0.00 0.00 -2.27 0.00 0.00 64.05 61.80 2bm2 n THR 186 Cb 0.00 -0.75 0.00 0.00 -2.10 0.00 0.00 70.33 67.48 2bm2 n THR 186 CO 0.00 0.00 0.00 -2.11 -0.57 0.00 0.00 175.07 172.39 2bm2 n ARG 187 N -1.04 0.85 -3.63 -0.78 1.85 -1.26 -4.72 116.66 107.93 2bm2 n ARG 187 Ca 0.12 -0.13 -0.17 0.00 -1.00 0.00 0.00 57.85 56.67 2bm2 n ARG 187 Cb 0.07 -0.52 -0.15 0.00 -1.05 0.00 0.00 32.46 30.81 2bm2 n ARG 187 CO 0.00 0.00 0.00 1.03 -0.01 0.00 0.00 177.63 178.65 2bm2 s ARG 188 N -0.16 0.07 0.19 2.89 0.52 -1.22 -3.99 118.95 117.26 2bm2 s ARG 188 Ca 0.00 0.49 -0.24 0.00 -0.52 0.00 0.00 55.73 55.46 2bm2 s ARG 188 Cb 0.00 -0.50 0.06 0.00 0.52 0.00 0.00 34.95 35.03 2bm2 s ARG 188 CO 0.00 -0.39 0.91 0.34 0.02 0.00 0.00 175.30 176.19 2bm2 s ASP 189 N 2.31 -0.17 0.51 0.23 -1.08 -0.75 -1.83 116.67 115.88 2bm2 s ASP 189 Ca 0.04 -0.51 0.02 0.00 -0.52 0.00 0.00 52.55 51.58 2bm2 s ASP 189 Cb -0.13 0.55 0.02 0.00 -1.46 0.00 0.00 42.92 41.90 2bm2 s ASP 189 CO -0.07 -1.03 0.72 -0.94 0.52 0.00 0.00 175.17 174.36 2bm2 s SER 190 N -2.99 5.47 0.31 -0.34 1.04 -1.26 0.10 113.70 116.03 2bm2 s SER 190 Ca 0.13 0.02 -0.09 0.00 0.48 0.00 0.00 55.95 56.48 2bm2 s SER 190 Cb -0.03 -1.02 0.04 0.00 0.10 0.00 0.00 66.02 65.11 2bm2 s SER 190 CO 0.04 -0.98 0.57 0.00 0.98 0.00 0.00 173.24 173.85 2bm2 n GLN 192 N -0.43 1.47 0.00 0.00 6.02 -1.26 -0.37 117.38 122.81 2bm2 n GLN 192 Ca -0.05 0.53 0.00 0.00 -0.01 0.00 0.00 57.00 57.47 2bm2 n GLN 192 Cb 0.47 -2.24 0.00 0.00 1.02 0.00 0.00 30.24 29.49 2bm2 n GLN 192 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2bm2 n GLY 193 N 3.44 2.85 0.15 1.08 0.00 -1.26 -0.67 105.19 110.78 2bm2 n GLY 193 Ca 0.21 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.32 2bm2 n GLY 193 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 2bm2 h ASP 194 N 0.00 0.00 -1.11 1.61 3.45 -1.03 -3.34 116.42 116.00 2bm2 h ASP 194 Ca 0.00 0.00 -0.64 0.00 0.43 0.00 0.00 57.03 56.82 2bm2 h ASP 194 Cb 0.00 0.00 0.12 0.00 -0.56 0.00 0.00 39.33 38.89 2bm2 h ASP 194 CO 0.00 0.15 -0.60 -1.20 -1.57 0.00 0.00 179.24 176.02 2bm2 n SER 195 N -2.92 -1.55 0.00 6.45 7.64 -1.25 -1.68 113.62 120.32 2bm2 n SER 195 Ca 0.00 1.02 0.00 0.00 1.01 0.00 0.00 58.87 60.90 2bm2 n SER 195 Cb 0.61 -0.90 0.00 0.00 -1.01 0.00 0.00 64.21 62.91 2bm2 n SER 195 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2bm2 n GLY 196 N 2.00 2.91 2.10 0.23 0.00 -0.14 -0.69 105.19 111.59 2bm2 n GLY 196 Ca 0.16 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 46.02 2bm2 n GLY 196 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2bm2 n GLY 197 N -1.99 -1.38 3.91 -0.02 0.00 -0.67 -3.62 105.19 101.41 2bm2 n GLY 197 Ca 0.00 -1.68 -0.32 0.00 0.00 0.00 0.00 46.02 44.02 2bm2 n GLY 197 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2bm2 s PRO 198 N -4.58 3.49 -0.25 1.61 0.04 -1.26 -1.77 135.00 132.28 2bm2 s PRO 198 Ca 0.41 -0.31 0.02 0.00 0.04 0.00 0.00 61.00 61.16 2bm2 s PRO 198 Cb -0.01 -3.02 0.06 0.00 0.04 0.00 0.00 34.50 31.56 2bm2 s PRO 198 CO 0.29 0.60 -0.11 -1.17 0.04 0.00 0.00 177.00 176.65 2bm2 s LEU 199 N -2.35 3.16 -0.07 -3.56 2.96 -0.89 -2.77 118.68 115.16 2bm2 s LEU 199 Ca 0.34 -1.28 0.03 0.00 -0.22 0.00 0.00 54.13 53.00 2bm2 s LEU 199 Cb -0.13 -1.48 -0.02 0.00 0.50 0.00 0.00 46.19 45.06 2bm2 s LEU 199 CO 0.24 -0.18 -0.13 0.68 -1.32 0.00 0.00 176.35 175.64 2bm2 s VAL 200 N 1.17 3.10 -0.01 1.68 -7.23 -0.38 -1.47 120.40 117.27 2bm2 s VAL 200 Ca -0.07 -0.69 0.08 0.00 -1.81 0.00 0.00 61.98 59.49 2bm2 s VAL 200 Cb -0.19 -2.24 -0.02 0.00 0.56 0.00 0.00 36.38 34.49 2bm2 s VAL 200 CO -0.06 0.58 -0.25 0.00 -0.31 0.00 0.00 175.10 175.05 2bm2 s LYS 202 N -0.70 3.75 -0.27 0.00 2.20 -0.66 -1.12 119.74 122.93 2bm2 s LYS 202 Ca 0.10 0.37 -0.02 0.00 -0.36 0.00 0.00 55.97 56.06 2bm2 s LYS 202 Cb -0.10 -3.82 0.04 0.00 -1.51 0.00 0.00 37.83 32.44 2bm2 s LYS 202 CO -0.00 -0.92 -0.03 0.08 -0.36 0.00 0.00 175.35 174.12 2bm2 s VAL 203 N 3.27 2.94 -1.11 4.02 1.01 0.23 -4.64 120.40 126.12 2bm2 s VAL 203 Ca 0.34 -1.18 -0.25 0.00 0.00 0.00 0.00 61.98 60.89 2bm2 s VAL 203 Cb -0.13 -2.58 0.03 0.00 0.00 0.00 0.00 36.38 33.70 2bm2 s VAL 203 CO 0.18 0.06 0.67 -3.20 0.00 0.00 0.00 175.10 172.82 2bm2 n ASN 204 N 4.65 -4.46 0.00 3.32 5.15 -1.26 -1.41 115.26 121.25 2bm2 n ASN 204 Ca -0.15 -1.19 0.00 0.00 -0.60 0.00 0.00 54.58 52.64 2bm2 n ASN 204 Cb 0.45 -1.84 0.00 0.00 -0.53 0.00 0.00 39.78 37.86 2bm2 n ASN 204 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 2bm2 n GLY 205 N -1.96 2.01 3.01 8.20 0.00 -1.26 -5.03 105.19 110.17 2bm2 n GLY 205 Ca -0.16 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.67 2bm2 n GLY 205 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2bm2 s THR 206 N -2.78 0.71 -0.22 2.61 2.01 -0.50 -5.10 115.64 112.37 2bm2 s THR 206 Ca 0.00 -0.37 -0.29 0.00 0.31 0.00 0.00 61.69 61.34 2bm2 s THR 206 Cb 0.00 -0.61 0.01 0.00 0.01 0.00 0.00 72.50 71.91 2bm2 s THR 206 CO 0.00 0.21 1.02 0.26 -0.69 0.00 0.00 174.62 175.41 2bm2 s TRP 207 N -0.12 3.36 0.03 4.92 0.52 -1.26 0.75 118.94 127.14 2bm2 s TRP 207 Ca 0.02 1.45 0.08 0.00 0.02 0.00 0.00 56.10 57.68 2bm2 s TRP 207 Cb -0.05 -3.24 -0.03 0.00 -1.15 0.00 0.00 33.47 29.01 2bm2 s TRP 207 CO -0.00 -0.44 -0.24 -0.51 0.02 0.00 0.00 176.95 175.77 2bm2 s LEU 208 N 3.04 2.27 -0.54 2.99 1.43 -0.28 -3.96 118.68 123.63 2bm2 s LEU 208 Ca 0.44 -0.53 -0.27 0.00 -1.03 0.00 0.00 54.13 52.74 2bm2 s LEU 208 Cb -0.15 -1.35 0.03 0.00 0.03 0.00 0.00 46.19 44.75 2bm2 s LEU 208 CO 0.07 0.27 1.07 -1.58 0.23 0.00 0.00 176.35 176.41 2bm2 s GLN 209 N -1.19 3.49 0.03 1.70 0.74 -0.65 -1.81 119.66 121.98 2bm2 s GLN 209 Ca 0.12 0.13 0.11 0.00 0.05 0.00 0.00 55.36 55.77 2bm2 s GLN 209 Cb -0.10 -4.00 -0.21 0.00 1.10 0.00 0.00 33.01 29.81 2bm2 s GLN 209 CO 0.02 -1.51 0.93 0.00 -0.55 0.00 0.00 175.29 174.19 2bm2 h ALA 210 N 9.36 0.61 -2.75 1.58 0.00 -1.61 -3.37 119.26 123.08 2bm2 h ALA 210 Ca -0.25 -1.19 -0.06 0.00 0.00 0.00 0.00 54.91 53.41 2bm2 h ALA 210 Cb 1.06 0.22 -0.11 0.00 0.00 0.00 0.00 17.79 18.96 2bm2 h ALA 210 CO 1.12 1.39 -0.15 0.20 0.00 0.00 0.00 179.25 181.82 2bm2 s GLY 211 N -4.92 0.18 -0.19 0.00 0.00 -1.09 -1.97 107.32 99.33 2bm2 s GLY 211 Ca -0.02 -0.55 -0.04 0.00 0.00 0.00 0.00 44.72 44.12 2bm2 s GLY 211 CO 0.82 -0.55 -0.04 0.14 0.00 0.00 0.00 173.10 173.46 2bm2 s VAL 212 N -3.92 3.59 0.06 1.40 1.01 -0.22 -2.10 120.40 120.23 2bm2 s VAL 212 Ca 0.13 -0.44 -0.35 0.00 0.00 0.00 0.00 61.98 61.32 2bm2 s VAL 212 Cb 0.01 -2.60 -0.14 0.00 0.00 0.00 0.00 36.38 33.65 2bm2 s VAL 212 CO -0.02 0.45 1.64 0.52 0.00 0.00 0.00 175.10 177.70 2bm2 n VAL 213 N 4.19 0.18 0.05 2.92 0.31 -0.73 0.01 118.33 125.27 2bm2 n VAL 213 Ca -0.18 -0.03 0.00 0.00 -0.01 0.00 0.00 64.34 64.12 2bm2 n VAL 213 Cb 0.52 -1.53 0.00 0.00 -0.91 0.00 0.00 33.84 31.91 2bm2 n VAL 213 CO 0.00 0.00 0.00 -0.24 -1.32 0.00 0.00 176.83 175.27 2bm2 n SER 214 N 4.32 0.36 -0.81 4.52 2.88 -0.90 -0.97 113.62 123.02 2bm2 n SER 214 Ca 0.19 0.16 0.00 0.00 -1.33 0.00 0.00 58.87 57.90 2bm2 n SER 214 Cb 0.27 -0.02 0.00 0.00 -0.75 0.00 0.00 64.21 63.71 2bm2 n SER 214 CO 0.00 0.00 0.00 -2.67 -1.23 0.00 0.00 175.04 171.14 2bm2 n TRP 215 N -3.21 -0.47 -1.08 0.66 4.27 -0.71 -4.93 117.44 111.98 2bm2 n TRP 215 Ca 0.00 0.00 0.00 0.00 -3.89 0.00 0.00 57.50 53.61 2bm2 n TRP 215 Cb 0.13 0.00 0.00 0.00 -1.36 0.00 0.00 31.31 30.08 2bm2 n TRP 215 CO 0.00 0.00 0.00 0.41 -2.29 0.00 0.00 177.69 175.81 2bm2 n GLY 216 N 0.00 -2.50 3.30 -1.67 0.00 -1.26 -0.37 105.19 102.69 2bm2 n GLY 216 Ca 0.00 -1.29 -0.43 0.00 0.00 0.00 0.00 46.02 44.30 2bm2 n GLY 216 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2bm2 s GLU 217 N -1.99 2.78 3.04 1.61 2.02 -1.26 -4.97 118.70 119.94 2bm2 s GLU 217 Ca 0.00 -1.57 0.00 0.00 0.02 0.00 0.00 54.97 53.42 2bm2 s GLU 217 Cb 0.00 -4.05 0.00 0.00 0.10 0.00 0.00 34.13 30.18 2bm2 s GLU 217 CO 0.00 -1.13 0.00 0.41 0.02 0.00 0.00 175.26 174.56 2bm2 n GLY 219 N 5.08 0.30 2.77 -1.39 0.00 -1.26 -4.58 105.19 106.12 2bm2 n GLY 219 Ca -0.11 -0.91 -0.18 0.00 0.00 0.00 0.00 46.02 44.82 2bm2 n GLY 219 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2bm2 n ALA 221 N 4.52 -1.40 -2.64 0.00 0.00 -1.26 -4.64 120.51 115.09 2bm2 n ALA 221 Ca -0.19 0.24 -0.37 0.00 0.00 0.00 0.00 53.44 53.13 2bm2 n ALA 221 Cb 0.50 -4.62 -0.06 0.00 0.00 0.00 0.00 19.45 15.27 2bm2 n ALA 221 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 177.50 176.36 2bm2 s GLN 221 N -6.37 3.73 0.28 0.00 2.00 -1.26 -4.43 119.66 113.60 2bm2 s GLN 221 Ca 0.54 0.17 -0.30 0.00 -2.00 0.00 0.00 55.36 53.77 2bm2 s GLN 221 Cb -0.26 -3.15 -0.13 0.00 0.80 0.00 0.00 33.01 30.27 2bm2 s GLN 221 CO 0.78 0.68 1.30 -2.30 -0.50 0.00 0.00 175.29 175.25 2bm2 n PRO 222 N 1.57 1.93 -1.84 1.67 -0.02 -1.26 -1.64 135.00 135.41 2bm2 n PRO 222 Ca -0.14 0.68 -0.18 0.00 -2.02 0.00 0.00 63.50 61.84 2bm2 n PRO 222 Cb 0.53 -2.26 -0.05 0.00 -0.02 0.00 0.00 33.50 31.70 2bm2 n PRO 222 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 2bm2 n ASN 223 N 1.51 -4.96 -3.17 2.55 5.03 -1.26 -4.91 115.26 110.05 2bm2 n ASN 223 Ca 0.09 0.31 -0.21 0.00 0.87 0.00 0.00 54.58 55.64 2bm2 n ASN 223 Cb 0.33 -4.33 -0.04 0.00 -1.02 0.00 0.00 39.78 34.71 2bm2 n ASN 223 CO 0.00 0.00 0.00 0.54 -1.83 0.00 0.00 177.26 175.97 2bm2 n ARG 224 N -2.47 1.27 -0.99 3.52 5.12 -0.65 -3.93 116.66 118.53 2bm2 n ARG 224 Ca -0.19 -3.59 -0.33 0.00 -1.93 0.00 0.00 57.85 51.80 2bm2 n ARG 224 Cb 0.62 -1.71 0.13 0.00 -1.16 0.00 0.00 32.46 30.34 2bm2 n ARG 224 CO 0.00 0.00 0.00 -0.35 -1.93 0.00 0.00 177.63 175.35 2bm2 n PRO 225 N 0.44 -0.01 -2.14 5.56 -0.04 -1.26 -4.41 135.00 133.14 2bm2 n PRO 225 Ca 0.25 0.07 -0.40 0.00 -0.04 0.00 0.00 63.50 63.38 2bm2 n PRO 225 Cb 0.59 -2.22 -0.02 0.00 -0.04 0.00 0.00 33.50 31.81 2bm2 n PRO 225 CO 0.00 0.00 0.00 0.20 -0.04 0.00 0.00 175.50 175.66 2bm2 s GLY 226 N -2.09 2.97 -0.16 0.55 0.00 -0.37 -4.74 107.32 103.48 2bm2 s GLY 226 Ca 0.68 1.20 -0.06 0.00 0.00 0.00 0.00 44.72 46.54 2bm2 s GLY 226 CO 0.56 1.81 0.03 -0.42 0.00 0.00 0.00 173.10 175.08 2bm2 s ILE 227 N -1.21 4.52 0.12 0.90 1.01 0.50 -1.97 121.20 125.07 2bm2 s ILE 227 Ca 0.52 -0.14 0.11 0.00 0.00 0.00 0.00 60.65 61.14 2bm2 s ILE 227 Cb -0.38 -3.01 -0.04 0.00 0.01 0.00 0.00 42.46 39.05 2bm2 s ILE 227 CO 0.49 0.49 -0.27 -0.31 0.00 0.00 0.00 174.94 175.35 2bm2 s TYR 228 N 0.17 2.32 0.02 3.97 1.51 0.15 -1.75 117.35 123.75 2bm2 s TYR 228 Ca 0.03 -0.38 -0.30 0.00 -1.01 0.00 0.00 57.07 55.40 2bm2 s TYR 228 Cb -0.13 -1.27 -0.05 0.00 -0.11 0.00 0.00 41.96 40.40 2bm2 s TYR 228 CO 0.01 0.31 1.20 0.99 -1.11 0.00 0.00 175.55 176.96 2bm2 s THR 229 N -1.03 4.11 -0.54 -0.71 2.01 0.10 0.47 115.64 120.05 2bm2 s THR 229 Ca 0.14 1.50 -0.28 0.00 0.31 0.00 0.00 61.69 63.36 2bm2 s THR 229 Cb -0.10 -3.96 -0.00 0.00 0.01 0.00 0.00 72.50 68.45 2bm2 s THR 229 CO 0.06 0.08 1.60 -0.60 -0.69 0.00 0.00 174.62 175.06 2bm2 s ARG 230 N 1.45 3.12 0.28 4.92 3.52 -0.27 -1.06 118.95 130.91 2bm2 s ARG 230 Ca 0.58 0.65 0.01 0.00 -0.13 0.00 0.00 55.73 56.84 2bm2 s ARG 230 Cb -0.28 -4.21 0.56 0.00 -1.56 0.00 0.00 34.95 29.46 2bm2 s ARG 230 CO 0.27 -2.15 1.82 0.28 -0.81 0.00 0.00 175.30 174.72 2bm2 h VAL 231 N 6.58 0.89 -0.95 7.11 2.07 -1.68 -2.16 116.25 128.12 2bm2 h VAL 231 Ca -0.28 -0.32 0.11 0.00 0.82 0.00 0.00 66.70 67.03 2bm2 h VAL 231 Cb 1.12 -0.14 -0.07 0.00 -1.52 0.00 0.00 31.29 30.68 2bm2 h VAL 231 CO 1.17 0.17 0.60 0.71 0.02 0.00 0.00 177.57 180.24 2bm2 h THR 232 N 0.94 0.95 -0.64 2.57 1.35 -1.87 -2.10 112.91 114.11 2bm2 h THR 232 Ca 0.50 -0.32 0.10 0.00 -0.55 0.00 0.00 66.41 66.14 2bm2 h THR 232 Cb 0.53 -0.07 -0.04 0.00 -1.73 0.00 0.00 68.15 66.84 2bm2 h THR 232 CO -0.28 0.17 0.43 0.22 -0.25 0.00 0.00 175.52 175.81 2bm2 h TYR 233 N 0.94 0.50 -0.53 4.73 5.03 -1.75 -2.58 116.97 123.31 2bm2 h TYR 233 Ca 0.45 0.01 0.00 0.00 2.58 0.00 0.00 58.73 61.77 2bm2 h TYR 233 Cb 0.45 -0.16 0.00 0.00 1.55 0.00 0.00 36.73 38.56 2bm2 h TYR 233 CO -0.00 0.24 0.00 0.66 -1.32 0.00 0.00 178.16 177.73 2bm2 n TYR 234 N -4.48 0.83 -0.23 -3.82 4.01 -0.81 -4.62 117.16 108.05 2bm2 n TYR 234 Ca 0.11 -0.54 0.02 0.00 -0.16 0.00 0.00 57.90 57.33 2bm2 n TYR 234 Cb 0.37 -0.06 0.14 0.00 -0.31 0.00 0.00 39.34 39.47 2bm2 n TYR 234 CO 0.00 0.00 0.00 -0.07 -0.46 0.00 0.00 176.86 176.33 2bm2 h LEU 235 N 3.17 0.28 0.03 7.72 4.07 -1.22 0.23 115.31 129.58 2bm2 h LEU 235 Ca 0.00 0.09 0.02 0.00 0.08 0.00 0.00 57.88 58.06 2bm2 h LEU 235 Cb 0.97 0.06 -0.02 0.00 1.08 0.00 0.00 40.66 42.74 2bm2 h LEU 235 CO 0.04 0.15 -0.13 0.44 -1.08 0.00 0.00 178.44 177.86 2bm2 h ASP 236 N 0.45 -0.37 -0.52 -0.43 3.32 -1.82 -0.92 116.42 116.14 2bm2 h ASP 236 Ca 0.35 0.05 0.01 0.00 0.02 0.00 0.00 57.03 57.46 2bm2 h ASP 236 Cb 0.45 0.15 -0.03 0.00 0.22 0.00 0.00 39.33 40.13 2bm2 h ASP 236 CO -0.33 -0.18 0.33 -0.25 -1.72 0.00 0.00 179.24 177.09 2bm2 h TRP 237 N -0.23 0.63 0.25 4.55 7.01 -1.60 -2.84 115.95 123.71 2bm2 h TRP 237 Ca 0.04 0.02 0.00 0.00 2.11 0.00 0.00 58.89 61.06 2bm2 h TRP 237 Cb 0.27 -0.21 -0.02 0.00 -2.10 0.00 0.00 29.16 27.10 2bm2 h TRP 237 CO -0.17 0.38 -0.24 0.82 -2.79 0.00 0.00 178.44 176.44 2bm2 h ILE 238 N 0.68 0.48 0.00 2.65 2.04 -0.08 -2.32 117.51 120.97 2bm2 h ILE 238 Ca 0.20 0.00 0.00 0.00 1.00 0.00 0.00 64.86 66.06 2bm2 h ILE 238 Cb -0.04 0.48 0.00 0.00 -0.74 0.00 0.00 36.82 36.52 2bm2 h ILE 238 CO -0.06 0.00 0.00 0.45 0.00 0.00 0.00 178.15 178.54 2bm2 h HIS 239 N -0.52 0.00 0.00 1.37 3.86 -1.13 0.42 115.15 119.15 2bm2 h HIS 239 Ca -0.01 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.20 2bm2 h HIS 239 Cb 0.48 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.95 2bm2 h HIS 239 CO -0.16 0.00 0.00 0.45 0.86 0.00 0.00 177.93 179.08 2bm2 h HIS 240 N 0.00 0.00 0.00 2.45 3.86 -1.17 -3.35 115.15 116.94 2bm2 h HIS 240 Ca 0.00 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.21 2bm2 h HIS 240 Cb 0.00 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.47 2bm2 h HIS 240 CO 0.00 0.00 -0.92 0.66 0.86 0.00 0.00 177.93 178.53 2bm2 n TYR 241 N -2.49 0.00 -2.86 2.45 4.01 -0.02 -5.03 117.16 113.22 2bm2 n TYR 241 Ca 0.01 0.00 -0.41 0.00 -0.16 0.00 0.00 57.90 57.34 2bm2 n TYR 241 Cb 0.22 0.02 -0.04 0.00 -0.31 0.00 0.00 39.34 39.24 2bm2 n TYR 241 CO 0.00 0.00 0.00 0.08 -0.46 0.00 0.00 176.86 176.48 2bm2 s VAL 242 N -1.96 4.90 0.71 -0.72 1.01 -0.28 -5.02 120.40 119.04 2bm2 s VAL 242 Ca 0.00 1.75 -0.16 0.00 0.00 0.00 0.00 61.98 63.57 2bm2 s VAL 242 Cb 0.00 -4.18 0.03 0.00 0.00 0.00 0.00 36.38 32.23 2bm2 s VAL 242 CO 0.00 0.11 1.23 -2.16 0.00 0.00 0.00 175.10 174.28 2bm2 s PRO 243 N 1.54 2.21 0.00 2.72 0.04 -1.26 -4.37 135.00 135.88 2bm2 s PRO 243 Ca 0.43 1.85 0.00 0.00 0.04 0.00 0.00 61.00 63.32 2bm2 s PRO 243 Cb -0.18 -1.83 0.00 0.00 0.04 0.00 0.00 34.50 32.53 2bm2 s PRO 243 CO 0.18 -1.80 0.00 1.17 0.04 0.00 0.00 177.00 176.59