#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 5.40 0.00 1.39 1.01 -0.09 -3.89 120.40 124.22 2bm2 s VAL 17 Ca 0.00 0.27 0.00 0.00 0.00 0.00 0.00 61.98 62.25 2bm2 s VAL 17 Cb 0.00 -3.49 0.00 0.00 0.00 0.00 0.00 36.38 32.89 2bm2 s VAL 17 CO 0.00 0.46 0.00 0.61 0.00 0.00 0.00 175.10 176.17 2bm2 n GLY 18 N 3.19 -0.36 7.00 4.51 0.00 -1.26 -2.98 105.19 115.30 2bm2 n GLY 18 Ca -0.16 -1.07 0.00 0.00 0.00 0.00 0.00 46.02 44.80 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 0.79 2.15 -0.02 0.00 -1.26 -4.86 105.19 101.99 2bm2 n GLY 19 Ca 0.00 -0.85 -0.06 0.00 0.00 0.00 0.00 46.02 45.11 2bm2 n GLY 19 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2bm2 n GLN 20 N 0.00 0.61 -2.22 1.61 10.64 -0.08 -4.96 117.38 122.99 2bm2 n GLN 20 Ca 0.00 -1.38 -0.37 0.00 -1.83 0.00 0.00 57.00 53.41 2bm2 n GLN 20 Cb 0.00 1.62 -0.01 0.00 -0.86 0.00 0.00 30.24 30.99 2bm2 n GLN 20 CO 0.00 0.00 0.00 -1.21 -1.83 0.00 0.00 177.06 174.02 2bm2 s GLU 21 N -2.15 3.77 0.19 2.61 2.02 -1.26 0.13 118.70 124.02 2bm2 s GLU 21 Ca 0.11 1.84 -0.30 0.00 0.02 0.00 0.00 54.97 56.64 2bm2 s GLU 21 Cb -0.02 -2.46 -0.08 0.00 0.10 0.00 0.00 34.13 31.67 2bm2 s GLU 21 CO 0.08 -0.56 0.96 0.00 0.02 0.00 0.00 175.26 175.77 2bm2 s ALA 22 N -1.49 3.31 0.85 5.21 0.00 0.81 -4.72 121.76 125.72 2bm2 s ALA 22 Ca 0.63 0.62 -0.11 0.00 0.00 0.00 0.00 51.96 53.11 2bm2 s ALA 22 Cb -0.30 -3.25 0.10 0.00 0.00 0.00 0.00 23.12 19.67 2bm2 s ALA 22 CO 0.37 0.09 1.13 -2.14 0.00 0.00 0.00 175.76 175.21 2bm2 s PRO 23 N -0.72 1.56 0.37 0.00 0.02 -1.26 -4.88 135.00 130.09 2bm2 s PRO 23 Ca 0.44 1.42 0.05 0.00 0.02 0.00 0.00 61.00 62.92 2bm2 s PRO 23 Cb -0.25 -1.80 0.74 0.00 0.02 0.00 0.00 34.50 33.21 2bm2 s PRO 23 CO 0.32 -2.20 2.00 0.00 -0.33 0.00 0.00 177.00 176.79 2bm2 h ARG 24 N -1.48 0.72 0.00 5.54 3.08 -2.00 -2.95 114.38 117.29 2bm2 h ARG 24 Ca -0.43 -0.04 -0.05 0.00 0.07 0.00 0.00 59.98 59.52 2bm2 h ARG 24 Cb 1.26 -0.16 -0.01 0.00 0.08 0.00 0.00 29.97 31.14 2bm2 h ARG 24 CO 0.46 0.47 -0.26 0.66 -1.07 0.00 0.00 179.97 180.23 2bm2 h SER 25 N 0.74 0.00 -3.89 7.04 4.64 -1.97 -3.46 113.55 116.65 2bm2 h SER 25 Ca 0.24 0.00 -0.48 0.00 -0.47 0.00 0.00 61.79 61.08 2bm2 h SER 25 Cb 0.06 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.15 2bm2 h SER 25 CO -0.07 0.26 0.21 -0.54 -0.87 0.00 0.00 176.83 175.83 2bm2 s LYS 26 N -3.82 3.91 -1.00 4.77 1.02 -1.11 -4.56 119.74 118.95 2bm2 s LYS 26 Ca -0.01 0.71 -0.05 0.00 0.02 0.00 0.00 55.97 56.64 2bm2 s LYS 26 Cb 0.12 -2.30 -0.05 0.00 -0.52 0.00 0.00 37.83 35.07 2bm2 s LYS 26 CO 0.65 -0.07 0.87 0.91 -0.92 0.00 0.00 175.35 176.79 2bm2 n TRP 27 N -1.16 -2.54 0.26 3.18 7.02 -1.26 -4.89 117.44 118.04 2bm2 n TRP 27 Ca 0.04 0.89 0.12 0.00 -1.02 0.00 0.00 57.50 57.54 2bm2 n TRP 27 Cb 0.54 -4.09 0.69 0.00 -2.42 0.00 0.00 31.31 26.03 2bm2 n TRP 27 CO 0.00 0.00 0.00 -1.00 -2.02 0.00 0.00 177.69 174.67 2bm2 h PRO 28 N -0.83 0.00 0.00 -0.99 0.13 -1.80 -2.97 132.00 125.53 2bm2 h PRO 28 Ca -0.50 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.63 2bm2 h PRO 28 Cb 1.26 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.39 2bm2 h PRO 28 CO 0.42 0.13 -0.36 -2.67 -0.23 0.00 0.00 178.00 175.28 2bm2 n TRP 29 N -3.67 0.44 -1.83 1.56 2.14 -1.14 -3.17 117.44 111.77 2bm2 n TRP 29 Ca -0.02 0.13 -0.40 0.00 2.07 0.00 0.00 57.50 59.28 2bm2 n TRP 29 Cb 0.25 -0.61 0.01 0.00 -0.81 0.00 0.00 31.31 30.15 2bm2 n TRP 29 CO 0.00 0.00 0.00 -1.14 2.07 0.00 0.00 177.69 178.62 2bm2 s GLN 30 N -3.09 3.82 0.08 -2.67 2.00 -1.13 -0.68 119.66 118.00 2bm2 s GLN 30 Ca 0.09 2.43 -0.01 0.00 -2.00 0.00 0.00 55.36 55.87 2bm2 s GLN 30 Cb 0.15 -2.74 -0.04 0.00 0.80 0.00 0.00 33.01 31.18 2bm2 s GLN 30 CO 0.66 -0.71 0.00 0.14 -0.50 0.00 0.00 175.29 174.88 2bm2 s VAL 31 N -1.19 0.18 -0.11 1.34 -7.23 -0.30 -2.59 120.40 110.51 2bm2 s VAL 31 Ca 0.58 -1.85 0.02 0.00 -1.81 0.00 0.00 61.98 58.93 2bm2 s VAL 31 Cb -0.44 -1.73 -0.01 0.00 0.56 0.00 0.00 36.38 34.76 2bm2 s VAL 31 CO 0.57 -0.79 -0.19 -0.55 -0.31 0.00 0.00 175.10 173.83 2bm2 s SER 32 N -2.97 3.53 -0.14 4.85 0.15 0.81 -2.30 113.70 117.63 2bm2 s SER 32 Ca 0.14 -0.44 -0.14 0.00 0.70 0.00 0.00 55.95 56.21 2bm2 s SER 32 Cb 0.08 -1.42 -0.05 0.00 -1.71 0.00 0.00 66.02 62.92 2bm2 s SER 32 CO -0.05 0.18 0.30 -0.76 1.20 0.00 0.00 173.24 174.11 2bm2 s LEU 33 N 0.25 4.28 -0.06 3.45 1.43 -0.22 -0.61 118.68 127.20 2bm2 s LEU 33 Ca -0.13 0.56 0.04 0.00 -1.03 0.00 0.00 54.13 53.58 2bm2 s LEU 33 Cb -0.16 -2.39 -0.02 0.00 0.03 0.00 0.00 46.19 43.65 2bm2 s LEU 33 CO 0.07 0.14 -0.18 -0.13 0.23 0.00 0.00 176.35 176.48 2bm2 s ARG 34 N 0.22 2.57 0.05 1.70 1.81 0.61 -1.19 118.95 124.72 2bm2 s ARG 34 Ca 0.17 -0.76 0.03 0.00 -1.72 0.00 0.00 55.73 53.45 2bm2 s ARG 34 Cb -0.13 -2.33 -0.04 0.00 -0.45 0.00 0.00 34.95 32.00 2bm2 s ARG 34 CO 0.05 0.52 0.03 0.54 -0.68 0.00 0.00 175.30 175.76 2bm2 s VAL 35 N -0.47 4.30 0.04 3.52 0.11 0.36 -1.28 120.40 126.98 2bm2 s VAL 35 Ca 0.06 -0.74 -0.28 0.00 -2.93 0.00 0.00 61.98 58.08 2bm2 s VAL 35 Cb -0.12 -3.01 -0.05 0.00 -1.53 0.00 0.00 36.38 31.68 2bm2 s VAL 35 CO 0.01 0.22 0.91 -2.28 -3.33 0.00 0.00 175.10 170.64 2bm2 s HIS 36 N -1.26 3.72 0.00 1.54 2.46 -0.12 -1.66 115.29 119.98 2bm2 s HIS 36 Ca 0.25 1.65 0.00 0.00 0.47 0.00 0.00 55.06 57.43 2bm2 s HIS 36 Cb -0.12 -3.01 0.00 0.00 -0.13 0.00 0.00 32.58 29.32 2bm2 s HIS 36 CO 0.17 0.13 0.00 0.41 -2.47 0.00 0.00 174.74 172.97 2bm2 n GLY 37 N 2.59 3.05 0.39 1.59 0.00 -1.26 -4.95 105.19 106.59 2bm2 n GLY 37 Ca 0.02 -0.28 0.21 0.00 0.00 0.00 0.00 46.02 45.97 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 0.00 -3.64 1.61 0.11 -2.04 -3.42 132.00 124.61 2bm2 h PRO 37 Ca 0.00 0.00 -0.07 0.00 0.11 0.00 0.00 66.00 66.04 2bm2 h PRO 37 Cb 0.00 0.00 -0.11 0.00 0.11 0.00 0.00 31.00 31.00 2bm2 h PRO 37 CO 0.00 0.00 -0.17 1.52 -0.21 0.00 0.00 178.00 179.14 2bm2 s TYR 37 N -4.92 0.20 -0.96 0.65 1.13 -1.26 -5.07 117.35 107.12 2bm2 s TYR 37 Ca -0.05 -0.56 -0.24 0.00 -1.41 0.00 0.00 57.07 54.82 2bm2 s TYR 37 Cb 0.19 0.14 -0.02 0.00 -1.10 0.00 0.00 41.96 41.16 2bm2 s TYR 37 CO 0.69 -0.82 1.81 -1.58 -2.51 0.00 0.00 175.55 173.14 2bm2 s TRP 38 N -3.94 2.03 0.04 -3.49 0.52 -1.26 -4.66 118.94 108.18 2bm2 s TRP 38 Ca 0.15 0.17 -0.30 0.00 0.02 0.00 0.00 56.10 56.13 2bm2 s TRP 38 Cb 0.01 -4.23 -0.05 0.00 -1.15 0.00 0.00 33.47 28.05 2bm2 s TRP 38 CO -0.00 -1.76 1.13 1.41 0.02 0.00 0.00 176.95 177.74 2bm2 s MET 39 N 6.37 4.47 0.15 4.98 1.75 -0.66 -4.70 119.30 131.65 2bm2 s MET 39 Ca 0.63 1.66 -0.31 0.00 -1.25 0.00 0.00 55.69 56.42 2bm2 s MET 39 Cb -0.04 -3.39 -0.08 0.00 2.84 0.00 0.00 34.83 34.15 2bm2 s MET 39 CO -0.02 -0.20 1.35 -1.58 -0.65 0.00 0.00 175.02 173.92 2bm2 s HIS 40 N 1.10 3.25 0.00 4.11 2.46 -1.26 -0.48 115.29 124.47 2bm2 s HIS 40 Ca 0.56 1.07 0.00 0.00 0.47 0.00 0.00 55.06 57.17 2bm2 s HIS 40 Cb -0.27 -3.65 0.00 0.00 -0.13 0.00 0.00 32.58 28.54 2bm2 s HIS 40 CO 0.28 -2.16 0.00 1.97 -2.47 0.00 0.00 174.74 172.37 2bm2 n PHE 41 N 3.34 0.00 -3.48 3.88 -1.74 -0.33 -4.92 117.46 114.21 2bm2 n PHE 41 Ca 0.09 0.00 -0.10 0.00 -0.56 0.00 0.00 57.45 56.88 2bm2 n PHE 41 Cb 0.42 0.00 -0.02 0.00 1.52 0.00 0.00 39.48 41.40 2bm2 n PHE 41 CO 0.00 0.00 0.00 0.00 -0.56 0.00 0.00 176.76 176.20 2bm2 n GLY 43 N -0.23 0.34 3.65 0.00 0.00 0.11 -1.06 105.19 107.99 2bm2 n GLY 43 Ca -0.11 -1.95 0.01 0.00 0.00 0.00 0.00 46.02 43.97 2bm2 n GLY 43 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2bm2 s GLY 44 N -4.28 -0.39 0.01 -0.02 0.00 -0.97 -3.70 107.32 97.96 2bm2 s GLY 44 Ca 0.44 0.63 0.01 0.00 0.00 0.00 0.00 44.72 45.80 2bm2 s GLY 44 CO 0.30 0.43 -0.04 -1.35 0.00 0.00 0.00 173.10 172.44 2bm2 s SER 45 N -3.03 0.41 -0.38 1.64 1.04 0.57 -1.15 113.70 112.81 2bm2 s SER 45 Ca 0.15 -0.16 -0.27 0.00 0.48 0.00 0.00 55.95 56.15 2bm2 s SER 45 Cb 0.04 -0.02 0.02 0.00 0.10 0.00 0.00 66.02 66.16 2bm2 s SER 45 CO -0.03 -0.03 0.97 -0.22 0.98 0.00 0.00 173.24 174.91 2bm2 s LEU 46 N -0.40 3.94 -0.00 2.42 2.96 0.15 0.11 118.68 127.85 2bm2 s LEU 46 Ca -0.02 0.61 0.11 0.00 -0.22 0.00 0.00 54.13 54.61 2bm2 s LEU 46 Cb -0.03 -3.33 -0.12 0.00 0.50 0.00 0.00 46.19 43.20 2bm2 s LEU 46 CO -0.00 -0.92 0.46 2.30 -1.32 0.00 0.00 176.35 176.87 2bm2 n ILE 47 N 6.09 0.00 -3.71 6.68 -5.35 -0.44 -1.84 119.36 120.79 2bm2 n ILE 47 Ca 0.08 -0.24 -0.14 0.00 -0.27 0.00 0.00 62.75 62.18 2bm2 n ILE 47 Cb 0.48 0.95 -0.09 0.00 -1.74 0.00 0.00 39.64 39.24 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 -2.10 -0.35 0.62 4.28 5.04 -1.07 -4.70 115.29 117.00 2bm2 s HIS 48 Ca 0.04 0.68 0.26 0.00 -1.54 0.00 0.00 55.06 54.49 2bm2 s HIS 48 Cb 0.08 0.17 1.28 0.00 0.04 0.00 0.00 32.58 34.15 2bm2 s HIS 48 CO 0.46 -0.38 1.71 -1.35 -2.34 0.00 0.00 174.74 172.84 2bm2 h PRO 49 N 4.18 0.00 0.00 2.88 0.11 -1.94 0.53 132.00 137.77 2bm2 h PRO 49 Ca -0.28 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.83 2bm2 h PRO 49 Cb 1.17 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.28 2bm2 h PRO 49 CO 0.35 0.00 -0.01 0.94 -0.21 0.00 0.00 178.00 179.07 2bm2 n GLN 50 N -3.28 1.93 -3.98 1.05 7.27 -1.26 0.14 117.38 119.24 2bm2 n GLN 50 Ca 0.07 -2.10 -0.14 0.00 0.07 0.00 0.00 57.00 54.90 2bm2 n GLN 50 Cb 0.77 -1.27 -0.15 0.00 2.41 0.00 0.00 30.24 32.00 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 -2.05 0.23 -0.08 3.69 0.52 0.18 -2.41 118.94 119.01 2bm2 s TRP 51 Ca 0.18 -0.03 0.02 0.00 0.02 0.00 0.00 56.10 56.30 2bm2 s TRP 51 Cb 0.16 -0.19 -0.02 0.00 -1.15 0.00 0.00 33.47 32.27 2bm2 s TRP 51 CO 0.02 -0.03 -0.14 0.08 0.02 0.00 0.00 176.95 176.89 2bm2 s VAL 52 N 0.19 3.00 -0.04 4.03 1.01 -0.71 -1.33 120.40 126.55 2bm2 s VAL 52 Ca -0.02 -0.72 -0.12 0.00 0.00 0.00 0.00 61.98 61.12 2bm2 s VAL 52 Cb -0.04 -2.20 -0.05 0.00 0.00 0.00 0.00 36.38 34.09 2bm2 s VAL 52 CO -0.01 0.57 0.32 -0.22 0.00 0.00 0.00 175.10 175.76 2bm2 s LEU 53 N -0.30 4.44 0.37 3.92 0.20 0.30 -1.94 118.68 125.67 2bm2 s LEU 53 Ca 0.02 0.79 -0.15 0.00 0.69 0.00 0.00 54.13 55.49 2bm2 s LEU 53 Cb -0.13 -2.41 0.04 0.00 -0.43 0.00 0.00 46.19 43.27 2bm2 s LEU 53 CO 0.03 0.35 0.74 0.28 -0.29 0.00 0.00 176.35 177.46 2bm2 s THR 54 N -1.04 0.00 0.11 3.68 -1.32 -0.67 -0.31 115.64 116.09 2bm2 s THR 54 Ca 0.21 -1.08 -0.19 0.00 -1.21 0.00 0.00 61.69 59.41 2bm2 s THR 54 Cb -0.15 -2.76 -0.07 0.00 -1.51 0.00 0.00 72.50 68.01 2bm2 s THR 54 CO 0.10 0.00 0.61 0.00 -2.21 0.00 0.00 174.62 173.12 2bm2 s ALA 55 N -2.57 3.55 0.37 11.08 0.00 -1.26 0.38 121.76 133.31 2bm2 s ALA 55 Ca 0.17 0.07 0.19 0.00 0.00 0.00 0.00 51.96 52.39 2bm2 s ALA 55 Cb -0.05 -2.68 1.02 0.00 0.00 0.00 0.00 23.12 21.41 2bm2 s ALA 55 CO 0.12 0.39 1.93 0.00 0.00 0.00 0.00 175.76 178.19 2bm2 h ALA 56 N 4.26 1.36 0.00 0.00 0.00 -1.66 -2.50 119.26 120.72 2bm2 h ALA 56 Ca -0.49 -0.23 0.00 0.00 0.00 0.00 0.00 54.91 54.19 2bm2 h ALA 56 Cb 1.21 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.96 2bm2 h ALA 56 CO 0.64 0.31 0.00 -2.39 0.00 0.00 0.00 179.25 177.81 2bm2 n HIS 57 N -3.91 0.26 0.09 0.00 1.44 -1.26 -0.42 115.22 111.42 2bm2 n HIS 57 Ca -0.02 0.10 -0.06 0.00 -2.01 0.00 0.00 57.72 55.73 2bm2 n HIS 57 Cb 0.33 -0.66 0.01 0.00 0.12 0.00 0.00 29.99 29.79 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 -3.59 1.03 -3.75 0.00 0.24 -0.87 -5.02 118.33 106.36 2bm2 n VAL 59 Ca -0.02 -1.90 -0.04 0.00 -2.04 0.00 0.00 64.34 60.35 2bm2 n VAL 59 Cb 0.80 0.36 0.02 0.00 -1.47 0.00 0.00 33.84 33.55 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 -0.35 0.87 0.24 7.63 0.00 0.43 -4.58 105.19 109.45 2bm2 n GLY 60 Ca 0.11 -1.13 0.12 0.00 0.00 0.00 0.00 46.02 45.12 2bm2 n GLY 60 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2bm2 h PRO 60 N 0.00 0.00 -6.80 1.61 0.13 -1.79 -3.39 132.00 121.75 2bm2 h PRO 60 Ca -0.23 0.00 -0.48 0.00 -0.87 0.00 0.00 66.00 64.42 2bm2 h PRO 60 Cb 0.96 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.07 2bm2 h PRO 60 CO 0.30 0.15 0.29 -0.51 -0.23 0.00 0.00 178.00 178.00 2bm2 s ASP 60 N -6.05 7.28 0.15 1.44 1.11 -1.26 -4.97 116.67 114.37 2bm2 s ASP 60 Ca 0.00 1.74 -0.31 0.00 0.18 0.00 0.00 52.55 54.16 2bm2 s ASP 60 Cb 0.10 -2.54 -0.09 0.00 1.07 0.00 0.00 42.92 41.46 2bm2 s ASP 60 CO 0.60 -0.04 1.46 0.68 1.18 0.00 0.00 175.17 179.05 2bm2 s VAL 60 N -1.58 2.98 0.22 -1.27 -7.23 -1.26 -5.00 120.40 107.26 2bm2 s VAL 60 Ca 0.48 0.72 0.01 0.00 -1.81 0.00 0.00 61.98 61.38 2bm2 s VAL 60 Cb -0.18 -3.46 -0.04 0.00 0.56 0.00 0.00 36.38 33.26 2bm2 s VAL 60 CO 0.23 0.06 0.40 -0.54 -0.31 0.00 0.00 175.10 174.94 2bm2 s LYS 60 N 0.93 3.49 -0.36 4.82 -0.14 -1.26 -5.07 119.74 122.16 2bm2 s LYS 60 Ca 0.66 -0.43 -0.29 0.00 -1.36 0.00 0.00 55.97 54.54 2bm2 s LYS 60 Cb -0.40 -2.84 0.02 0.00 -1.68 0.00 0.00 37.83 32.93 2bm2 s LYS 60 CO 0.32 0.38 1.12 0.34 -0.76 0.00 0.00 175.35 176.76 2bm2 s ASP 60 N -3.42 6.82 0.39 2.83 3.68 -1.26 -4.93 116.67 120.79 2bm2 s ASP 60 Ca 0.37 0.93 0.06 0.00 2.13 0.00 0.00 52.55 56.04 2bm2 s ASP 60 Cb -0.10 -2.54 0.80 0.00 -1.45 0.00 0.00 42.92 39.62 2bm2 s ASP 60 CO 0.30 -1.00 2.04 -0.07 0.13 0.00 0.00 175.17 176.57 2bm2 h LEU 61 N 10.49 0.54 -2.41 -1.34 4.07 -1.95 -0.47 115.31 124.24 2bm2 h LEU 61 Ca -0.22 -0.01 -0.00 0.00 0.08 0.00 0.00 57.88 57.72 2bm2 h LEU 61 Cb 1.07 -0.13 -0.00 0.00 1.08 0.00 0.00 40.66 42.67 2bm2 h LEU 61 CO 1.06 0.39 -0.02 0.00 -1.08 0.00 0.00 178.44 178.79 2bm2 h ALA 62 N 1.70 1.09 -0.01 1.53 0.00 -1.91 -1.30 119.26 120.37 2bm2 h ALA 62 Ca 0.18 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.07 2bm2 h ALA 62 Cb -0.05 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.74 2bm2 h ALA 62 CO -0.04 0.02 -0.09 0.00 0.00 0.00 0.00 179.25 179.15 2bm2 n ALA 63 N -2.13 2.75 -2.62 0.00 0.00 -0.19 -4.89 120.51 113.43 2bm2 n ALA 63 Ca -0.02 -0.30 -0.34 0.00 0.00 0.00 0.00 53.44 52.78 2bm2 n ALA 63 Cb 0.16 -1.31 -0.12 0.00 0.00 0.00 0.00 19.45 18.18 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 -2.32 3.07 0.03 0.00 2.96 -0.49 -0.95 118.68 120.97 2bm2 s LEU 64 Ca 0.33 -0.08 0.01 0.00 -0.22 0.00 0.00 54.13 54.17 2bm2 s LEU 64 Cb 0.20 -1.67 -0.02 0.00 0.50 0.00 0.00 46.19 45.21 2bm2 s LEU 64 CO 0.44 0.33 -0.05 -0.13 -1.32 0.00 0.00 176.35 175.62 2bm2 s ARG 65 N -0.64 0.41 -0.08 1.98 3.00 -0.41 -4.34 118.95 118.87 2bm2 s ARG 65 Ca 0.10 -0.57 0.01 0.00 0.00 0.00 0.00 55.73 55.27 2bm2 s ARG 65 Cb -0.11 -0.18 -0.03 0.00 0.00 0.00 0.00 34.95 34.63 2bm2 s ARG 65 CO 0.02 0.03 -0.08 0.08 0.00 0.00 0.00 175.30 175.35 2bm2 s VAL 66 N -1.09 3.62 -0.15 3.52 1.01 0.22 -0.29 120.40 127.25 2bm2 s VAL 66 Ca -0.09 -0.50 0.00 0.00 0.00 0.00 0.00 61.98 61.39 2bm2 s VAL 66 Cb -0.08 -2.48 0.02 0.00 0.00 0.00 0.00 36.38 33.84 2bm2 s VAL 66 CO -0.00 0.59 -0.14 -1.58 0.00 0.00 0.00 175.10 173.96 2bm2 s GLN 67 N -0.64 2.31 1.26 2.72 2.00 0.22 -0.78 119.66 126.75 2bm2 s GLN 67 Ca 0.10 -0.56 -0.20 0.00 -2.00 0.00 0.00 55.36 52.69 2bm2 s GLN 67 Cb -0.11 -2.11 0.31 0.00 0.80 0.00 0.00 33.01 31.89 2bm2 s GLN 67 CO 0.02 -0.24 1.06 -0.51 -0.50 0.00 0.00 175.29 175.12 2bm2 s LEU 68 N 1.49 0.23 -0.09 3.68 2.01 -1.26 -0.13 118.68 124.60 2bm2 s LEU 68 Ca 0.05 0.68 -0.41 0.00 0.01 0.00 0.00 54.13 54.46 2bm2 s LEU 68 Cb -0.13 -2.32 -0.20 0.00 0.01 0.00 0.00 46.19 43.55 2bm2 s LEU 68 CO -0.11 -4.47 1.20 -1.14 1.01 0.00 0.00 176.35 172.84 2bm2 n ARG 69 N -5.00 0.10 -3.93 1.70 0.00 -1.07 -4.62 116.66 103.83 2bm2 n ARG 69 Ca 0.13 0.04 -0.15 0.00 -0.00 0.00 0.00 57.85 57.86 2bm2 n ARG 69 Cb 0.60 -1.55 -0.15 0.00 0.00 0.00 0.00 32.46 31.36 2bm2 n ARG 69 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.63 176.42 2bm2 s GLU 70 N 0.64 0.20 0.07 -0.14 2.02 -1.26 -5.04 118.70 115.19 2bm2 s GLU 70 Ca 0.93 0.03 -0.16 0.00 0.02 0.00 0.00 54.97 55.78 2bm2 s GLU 70 Cb -1.29 -0.32 -0.15 0.00 0.10 0.00 0.00 34.13 32.48 2bm2 s GLU 70 CO 0.61 -0.06 1.30 0.37 0.02 0.00 0.00 175.26 177.50 2bm2 h GLN 71 N 6.77 0.61 -4.86 1.61 5.75 -1.94 -3.40 115.11 119.65 2bm2 h GLN 71 Ca -0.36 -0.43 -0.63 0.00 -0.15 0.00 0.00 58.65 57.08 2bm2 h GLN 71 Cb 1.16 0.07 -0.35 0.00 1.07 0.00 0.00 27.48 29.42 2bm2 h GLN 71 CO 0.49 1.05 -0.85 -1.01 -2.65 0.00 0.00 178.83 175.86 2bm2 s HIS 72 N -3.93 2.39 0.27 3.99 3.76 -1.26 -1.07 115.29 119.44 2bm2 s HIS 72 Ca -0.12 -1.33 -0.30 0.00 -0.15 0.00 0.00 55.06 53.16 2bm2 s HIS 72 Cb 0.07 -1.70 -0.13 0.00 1.11 0.00 0.00 32.58 31.93 2bm2 s HIS 72 CO 0.83 -0.68 1.37 1.28 -0.85 0.00 0.00 174.74 176.69 2bm2 n LEU 73 N 4.56 3.22 0.00 0.89 4.77 0.20 -2.47 117.00 128.18 2bm2 n LEU 73 Ca -0.19 1.16 0.00 0.00 -0.03 0.00 0.00 56.01 56.95 2bm2 n LEU 73 Cb 0.50 -1.44 0.00 0.00 -2.33 0.00 0.00 43.42 40.15 2bm2 n LEU 73 CO 0.24 -0.50 0.00 -1.22 -1.33 0.00 0.00 177.39 174.58 2bm2 n TYR 74 N 1.42 0.00 0.15 -1.77 4.01 -1.26 -4.79 117.16 114.91 2bm2 n TYR 74 Ca 0.09 0.00 0.03 0.00 -0.16 0.00 0.00 57.90 57.86 2bm2 n TYR 74 Cb 0.33 -0.33 0.09 0.00 -0.31 0.00 0.00 39.34 39.13 2bm2 n TYR 74 CO 0.00 0.00 0.00 1.88 -0.46 0.00 0.00 176.86 178.28 2bm2 h TYR 75 N 0.00 0.00 -0.89 -0.72 -1.99 -1.84 -3.37 116.97 108.16 2bm2 h TYR 75 Ca 0.00 0.00 -0.34 0.00 2.00 0.00 0.00 58.73 60.39 2bm2 h TYR 75 Cb 0.00 0.00 -0.34 0.00 2.00 0.00 0.00 36.73 38.39 2bm2 h TYR 75 CO 0.00 0.49 -0.99 1.04 -0.00 0.00 0.00 178.16 178.70 2bm2 n GLN 79 N -3.29 1.12 -1.06 4.88 3.00 -1.26 -5.13 117.38 115.65 2bm2 n GLN 79 Ca 0.01 -2.91 -0.34 0.00 -0.01 0.00 0.00 57.00 53.75 2bm2 n GLN 79 Cb 0.69 -1.05 0.12 0.00 0.00 0.00 0.00 30.24 30.00 2bm2 n GLN 79 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.06 176.81 2bm2 n ASP 80 N -0.11 -0.07 -2.74 1.08 9.92 -1.26 -5.00 116.55 118.38 2bm2 n ASP 80 Ca 0.09 0.53 -0.08 0.00 -0.53 0.00 0.00 54.79 54.80 2bm2 n ASP 80 Cb 0.80 -1.39 0.06 0.00 -0.64 0.00 0.00 41.12 39.95 2bm2 n ASP 80 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 2bm2 n GLN 81 N -2.49 0.74 -1.78 -1.24 6.02 -1.26 -5.14 117.38 112.23 2bm2 n GLN 81 Ca 0.11 -1.65 -0.42 0.00 -0.01 0.00 0.00 57.00 55.04 2bm2 n GLN 81 Cb 0.51 -1.29 -0.03 0.00 1.02 0.00 0.00 30.24 30.45 2bm2 n GLN 81 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 2bm2 s LEU 82 N -0.85 4.37 -0.11 1.08 1.43 -1.26 -4.65 118.68 118.69 2bm2 s LEU 82 Ca 0.30 2.82 -0.01 0.00 -1.03 0.00 0.00 54.13 56.21 2bm2 s LEU 82 Cb 0.24 -3.60 -0.03 0.00 0.03 0.00 0.00 46.19 42.83 2bm2 s LEU 82 CO -0.21 -0.93 -0.06 -0.76 0.23 0.00 0.00 176.35 174.62 2bm2 s LEU 83 N 0.99 3.17 0.59 1.79 1.02 0.04 -4.89 118.68 121.39 2bm2 s LEU 83 Ca 0.73 -0.09 -0.16 0.00 0.02 0.00 0.00 54.13 54.63 2bm2 s LEU 83 Cb -0.48 -1.72 -0.04 0.00 0.02 0.00 0.00 46.19 43.97 2bm2 s LEU 83 CO 0.33 0.27 1.06 -2.16 0.02 0.00 0.00 176.35 175.87 2bm2 s PRO 84 N -0.22 3.31 -0.06 1.29 0.04 -1.26 -0.61 135.00 137.49 2bm2 s PRO 84 Ca 0.03 1.24 0.01 0.00 0.04 0.00 0.00 61.00 62.32 2bm2 s PRO 84 Cb -0.13 -2.03 -0.03 0.00 0.04 0.00 0.00 34.50 32.35 2bm2 s PRO 84 CO 0.03 -0.82 -0.05 0.08 0.04 0.00 0.00 177.00 176.28 2bm2 s VAL 85 N -2.40 3.83 -0.04 -0.36 1.01 -1.26 -1.62 120.40 119.56 2bm2 s VAL 85 Ca 0.64 -0.49 0.18 0.00 0.00 0.00 0.00 61.98 62.31 2bm2 s VAL 85 Cb -0.17 -2.60 -0.27 0.00 0.00 0.00 0.00 36.38 33.34 2bm2 s VAL 85 CO 0.36 0.55 0.36 -1.54 0.00 0.00 0.00 175.10 174.83 2bm2 n SER 86 N 2.05 0.82 -3.75 3.32 3.41 0.55 -4.76 113.62 115.27 2bm2 n SER 86 Ca -0.17 0.00 -0.13 0.00 -0.26 0.00 0.00 58.87 58.30 2bm2 n SER 86 Cb 0.53 1.72 -0.10 0.00 -0.26 0.00 0.00 64.21 66.10 2bm2 n SER 86 CO 0.00 0.00 0.00 -0.60 -0.16 0.00 0.00 175.04 174.28 2bm2 s ARG 87 N -3.16 0.47 -0.22 4.33 3.52 -1.14 -4.98 118.95 117.77 2bm2 s ARG 87 Ca -0.07 0.41 0.01 0.00 -0.13 0.00 0.00 55.73 55.95 2bm2 s ARG 87 Cb 0.11 0.22 0.05 0.00 -1.56 0.00 0.00 34.95 33.77 2bm2 s ARG 87 CO 0.75 -0.07 -0.10 0.42 -0.81 0.00 0.00 175.30 175.49 2bm2 s ILE 88 N -0.04 1.73 -0.47 4.11 1.01 -1.26 -0.93 121.20 125.35 2bm2 s ILE 88 Ca -0.02 -1.16 -0.09 0.00 0.00 0.00 0.00 60.65 59.38 2bm2 s ILE 88 Cb -0.03 -1.84 0.12 0.00 0.01 0.00 0.00 42.46 40.72 2bm2 s ILE 88 CO 0.01 0.09 0.34 -0.63 0.00 0.00 0.00 174.94 174.76 2bm2 s ILE 89 N 1.34 4.17 -0.05 2.92 1.01 0.22 -4.99 121.20 125.81 2bm2 s ILE 89 Ca -0.03 -1.82 -0.16 0.00 0.00 0.00 0.00 60.65 58.63 2bm2 s ILE 89 Cb -0.17 -3.75 -0.05 0.00 0.01 0.00 0.00 42.46 38.49 2bm2 s ILE 89 CO -0.07 -0.78 0.43 -0.69 0.00 0.00 0.00 174.94 173.83 2bm2 s VAL 90 N 1.32 5.09 0.14 2.92 1.01 -1.26 -1.38 120.40 128.25 2bm2 s VAL 90 Ca 0.06 0.87 -0.32 0.00 0.00 0.00 0.00 61.98 62.59 2bm2 s VAL 90 Cb -0.26 -3.75 -0.11 0.00 0.00 0.00 0.00 36.38 32.26 2bm2 s VAL 90 CO -0.01 0.48 1.80 1.57 0.00 0.00 0.00 175.10 178.94 2bm2 n HIS 91 N 2.59 2.63 0.32 5.22 -0.00 -1.13 -4.82 115.22 120.02 2bm2 n HIS 91 Ca -0.11 -0.08 0.16 0.00 0.46 0.00 0.00 57.72 58.15 2bm2 n HIS 91 Cb 0.52 -2.71 0.87 0.00 -0.12 0.00 0.00 29.99 28.55 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 7.99 0.00 -0.01 1.57 0.13 -1.93 0.12 132.00 139.87 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 1.22 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.35 2bm2 h PRO 92 CO 0.95 0.00 -0.04 0.94 -0.23 0.00 0.00 178.00 179.62 2bm2 n GLN 93 N -2.84 1.28 -3.14 0.86 -0.06 -1.26 -4.91 117.38 107.31 2bm2 n GLN 93 Ca -0.02 -0.58 -0.39 0.00 -2.00 0.00 0.00 57.00 54.01 2bm2 n GLN 93 Cb 0.29 -1.49 -0.05 0.00 -4.06 0.00 0.00 30.24 24.93 2bm2 n GLN 93 CO 0.00 0.00 0.00 0.12 -0.20 0.00 0.00 177.06 176.98 2bm2 s PHE 94 N -2.12 3.69 0.07 3.69 5.36 0.41 -4.74 117.98 124.35 2bm2 s PHE 94 Ca 0.38 1.27 0.00 0.00 -0.96 0.00 0.00 56.93 57.62 2bm2 s PHE 94 Cb 0.21 -2.67 0.00 0.00 -0.34 0.00 0.00 43.02 40.22 2bm2 s PHE 94 CO 0.38 0.32 0.00 0.98 -1.46 0.00 0.00 175.22 175.45 2bm2 n TYR 95 N 2.77 -0.60 -4.12 10.12 9.36 -1.26 -4.85 117.16 128.58 2bm2 n TYR 95 Ca -0.06 0.11 -0.08 0.00 3.32 0.00 0.00 57.90 61.19 2bm2 n TYR 95 Cb 0.51 0.49 -0.10 0.00 -0.63 0.00 0.00 39.34 39.61 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 -2.00 0.29 -0.24 2.97 -4.23 -1.26 -4.51 115.64 106.65 2bm2 s THR 96 Ca 0.00 -1.85 0.28 0.00 -1.18 0.00 0.00 61.69 58.94 2bm2 s THR 96 Cb 0.00 -1.66 0.32 0.00 1.34 0.00 0.00 72.50 72.50 2bm2 s THR 96 CO 0.00 -0.86 1.83 0.00 -0.54 0.00 0.00 174.62 175.05 2bm2 h ALA 97 N 3.05 1.00 0.00 3.99 0.00 -1.95 -2.40 119.26 122.95 2bm2 h ALA 97 Ca -0.34 0.00 -0.18 0.00 0.00 0.00 0.00 54.91 54.39 2bm2 h ALA 97 Cb 1.16 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.92 2bm2 h ALA 97 CO 0.64 0.00 -1.11 1.96 0.00 0.00 0.00 179.25 180.75 2bm2 h GLN 98 N 0.00 0.00 0.05 0.00 7.50 -1.97 -3.28 115.11 117.40 2bm2 h GLN 98 Ca 0.00 0.00 -0.25 0.00 0.50 0.00 0.00 58.65 58.90 2bm2 h GLN 98 Cb 0.50 0.00 0.01 0.00 0.05 0.00 0.00 27.48 28.04 2bm2 h GLN 98 CO 0.00 0.53 -1.07 0.82 -1.50 0.00 0.00 178.83 177.61 2bm2 h ILE 99 N 0.00 1.38 0.00 2.54 2.04 -1.89 -3.48 117.51 118.10 2bm2 h ILE 99 Ca -0.10 -2.53 0.00 0.00 1.00 0.00 0.00 64.86 63.22 2bm2 h ILE 99 Cb 1.63 2.56 0.00 0.00 -0.74 0.00 0.00 36.82 40.27 2bm2 h ILE 99 CO 0.07 0.76 0.00 0.61 0.00 0.00 0.00 178.15 179.59 2bm2 n GLY 100 N 1.15 0.63 3.00 5.37 0.00 -0.93 -5.03 105.19 109.38 2bm2 n GLY 100 Ca -0.09 -2.19 -0.21 0.00 0.00 0.00 0.00 46.02 43.53 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 -1.00 -0.95 -1.51 4.61 0.00 -1.26 -4.50 120.51 115.90 2bm2 n ALA 101 Ca 0.00 0.18 -0.42 0.00 0.00 0.00 0.00 53.44 53.20 2bm2 n ALA 101 Cb 0.00 -3.03 -0.02 0.00 0.00 0.00 0.00 19.45 16.40 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 -2.30 3.39 -3.83 0.00 2.03 -1.26 -4.38 116.55 110.20 2bm2 n ASP 102 Ca -0.10 -2.78 -0.12 0.00 0.52 0.00 0.00 54.79 52.32 2bm2 n ASP 102 Cb 0.60 -1.45 -0.11 0.00 -0.72 0.00 0.00 41.12 39.44 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 3.87 0.03 0.16 5.18 2.07 -1.26 -3.66 121.20 127.59 2bm2 s ILE 103 Ca 0.51 -0.27 -0.14 0.00 -1.41 0.00 0.00 60.65 59.34 2bm2 s ILE 103 Cb 0.14 -0.34 0.02 0.00 0.13 0.00 0.00 42.46 42.40 2bm2 s ILE 103 CO -0.01 -0.15 0.39 0.00 -1.91 0.00 0.00 174.94 173.26 2bm2 s ALA 104 N -0.50 -0.61 -0.01 1.50 0.00 0.16 -2.82 121.76 119.48 2bm2 s ALA 104 Ca -0.06 -0.39 0.05 0.00 0.00 0.00 0.00 51.96 51.56 2bm2 s ALA 104 Cb -0.04 0.77 -0.01 0.00 0.00 0.00 0.00 23.12 23.84 2bm2 s ALA 104 CO 0.01 -0.69 -0.16 -0.51 0.00 0.00 0.00 175.76 174.42 2bm2 s LEU 105 N -2.88 2.02 -0.08 0.00 1.43 -0.48 -1.67 118.68 117.02 2bm2 s LEU 105 Ca 0.09 -0.29 0.05 0.00 -1.03 0.00 0.00 54.13 52.95 2bm2 s LEU 105 Cb 0.02 -0.82 -0.01 0.00 0.03 0.00 0.00 46.19 45.41 2bm2 s LEU 105 CO -0.06 0.19 -0.22 -0.76 0.23 0.00 0.00 176.35 175.73 2bm2 s LEU 106 N -0.34 2.21 -0.26 1.79 1.43 -0.82 -0.61 118.68 122.08 2bm2 s LEU 106 Ca 0.05 -0.48 -0.07 0.00 -1.03 0.00 0.00 54.13 52.60 2bm2 s LEU 106 Cb -0.06 -1.43 -0.02 0.00 0.03 0.00 0.00 46.19 44.71 2bm2 s LEU 106 CO -0.00 0.22 0.08 -0.70 0.23 0.00 0.00 176.35 176.18 2bm2 s GLU 107 N -0.02 3.58 0.47 1.70 2.12 -0.10 -1.74 118.70 124.71 2bm2 s GLU 107 Ca -0.07 -0.53 -0.22 0.00 0.36 0.00 0.00 54.97 54.50 2bm2 s GLU 107 Cb -0.15 -3.35 -0.07 0.00 0.26 0.00 0.00 34.13 30.82 2bm2 s GLU 107 CO 0.05 -0.23 1.15 -0.51 -0.54 0.00 0.00 175.26 175.18 2bm2 s LEU 108 N 1.61 3.98 0.38 2.70 1.43 -1.01 -0.33 118.68 127.44 2bm2 s LEU 108 Ca 0.06 2.26 0.06 0.00 -1.03 0.00 0.00 54.13 55.48 2bm2 s LEU 108 Cb -0.15 -4.29 0.78 0.00 0.03 0.00 0.00 46.19 42.56 2bm2 s LEU 108 CO 0.04 -0.92 2.00 -0.08 0.23 0.00 0.00 176.35 177.62 2bm2 h GLU 109 N 1.96 0.67 -5.08 1.70 4.57 -1.60 -3.42 114.58 113.37 2bm2 h GLU 109 Ca -0.49 -0.04 -0.38 0.00 -1.18 0.00 0.00 59.36 57.26 2bm2 h GLU 109 Cb 1.25 -0.15 -0.23 0.00 -0.16 0.00 0.00 28.75 29.46 2bm2 h GLU 109 CO 0.60 0.44 -0.77 -1.21 -1.18 0.00 0.00 179.01 176.89 2bm2 s GLU 110 N -5.60 0.76 0.39 1.92 0.41 -1.26 -4.97 118.70 110.34 2bm2 s GLU 110 Ca -0.09 -0.79 -0.27 0.00 -0.41 0.00 0.00 54.97 53.41 2bm2 s GLU 110 Cb 0.18 -0.71 -0.10 0.00 -1.78 0.00 0.00 34.13 31.73 2bm2 s GLU 110 CO 0.76 0.16 1.41 -1.25 -0.49 0.00 0.00 175.26 175.85 2bm2 s PRO 111 N -1.39 4.05 0.36 0.39 0.04 -1.26 -4.78 135.00 132.40 2bm2 s PRO 111 Ca -0.02 2.41 -0.25 0.00 0.04 0.00 0.00 61.00 63.17 2bm2 s PRO 111 Cb -0.09 -2.89 -0.09 0.00 0.04 0.00 0.00 34.50 31.47 2bm2 s PRO 111 CO 0.01 -0.52 1.01 0.08 0.04 0.00 0.00 177.00 177.62 2bm2 s VAL 112 N -1.16 3.92 -0.98 -0.36 1.01 0.36 -4.93 120.40 118.27 2bm2 s VAL 112 Ca 0.54 1.55 -0.20 0.00 0.00 0.00 0.00 61.98 63.87 2bm2 s VAL 112 Cb -0.43 -3.84 0.10 0.00 0.00 0.00 0.00 36.38 32.21 2bm2 s VAL 112 CO 0.58 0.08 1.26 -0.54 0.00 0.00 0.00 175.10 176.48 2bm2 s LYS 113 N -2.25 3.62 0.33 2.72 3.01 -1.26 -4.86 119.74 121.05 2bm2 s LYS 113 Ca 0.54 -1.55 -0.29 0.00 -1.01 0.00 0.00 55.97 53.66 2bm2 s LYS 113 Cb -0.21 -5.09 -0.10 0.00 -1.01 0.00 0.00 37.83 31.41 2bm2 s LYS 113 CO 0.27 -1.94 1.33 0.08 0.51 0.00 0.00 175.35 175.60 2bm2 s VAL 114 N 3.52 2.64 0.00 3.17 1.01 -1.26 -5.00 120.40 124.48 2bm2 s VAL 114 Ca 0.38 0.64 0.00 0.00 0.00 0.00 0.00 61.98 63.01 2bm2 s VAL 114 Cb -0.03 -3.41 0.00 0.00 0.00 0.00 0.00 36.38 32.94 2bm2 s VAL 114 CO -0.09 0.15 0.00 -1.54 0.00 0.00 0.00 175.10 173.62 2bm2 n SER 115 N 0.82 0.00 0.09 3.32 3.41 -0.46 -5.01 113.62 115.79 2bm2 n SER 115 Ca 0.00 0.00 -0.22 0.00 -0.26 0.00 0.00 58.87 58.39 2bm2 n SER 115 Cb 0.41 0.00 -0.14 0.00 -0.26 0.00 0.00 64.21 64.23 2bm2 n SER 115 CO 0.00 0.00 0.00 0.77 -0.16 0.00 0.00 175.04 175.65 2bm2 h SER 116 N 0.00 0.82 0.86 4.04 4.64 -2.01 -3.29 113.55 118.61 2bm2 h SER 116 Ca 0.00 -0.85 -0.11 0.00 -0.47 0.00 0.00 61.79 60.36 2bm2 h SER 116 Cb 0.00 -0.26 -0.02 0.00 -0.31 0.00 0.00 62.40 61.81 2bm2 h SER 116 CO 0.00 1.59 -0.54 0.45 -0.87 0.00 0.00 176.83 177.46 2bm2 h HIS 117 N 0.17 0.00 -1.67 4.77 3.86 -1.96 -3.44 115.15 116.88 2bm2 h HIS 117 Ca -0.19 0.00 -0.09 0.00 -1.16 0.00 0.00 60.37 58.93 2bm2 h HIS 117 Cb 1.89 0.00 -0.28 0.00 1.06 0.00 0.00 27.41 30.09 2bm2 h HIS 117 CO 0.13 0.54 -0.43 0.54 0.86 0.00 0.00 177.93 179.57 2bm2 s VAL 118 N -3.44 -0.70 0.37 2.45 0.11 -1.24 -4.51 120.40 113.44 2bm2 s VAL 118 Ca 0.00 -0.06 -0.04 0.00 -2.93 0.00 0.00 61.98 58.95 2bm2 s VAL 118 Cb 0.11 -0.87 0.02 0.00 -1.53 0.00 0.00 36.38 34.11 2bm2 s VAL 118 CO 0.73 -0.10 0.55 -1.38 -3.33 0.00 0.00 175.10 171.58 2bm2 s HIS 119 N 2.62 0.95 1.02 1.54 -3.43 -1.19 -1.36 115.29 115.45 2bm2 s HIS 119 Ca 0.15 -1.26 -0.12 0.00 -0.80 0.00 0.00 55.06 53.02 2bm2 s HIS 119 Cb -0.15 0.09 0.20 0.00 -1.43 0.00 0.00 32.58 31.30 2bm2 s HIS 119 CO -0.18 -1.26 1.07 0.95 -2.00 0.00 0.00 174.74 173.32 2bm2 s THR 120 N -2.73 2.21 0.16 -5.38 -4.23 -1.26 -2.87 115.64 101.53 2bm2 s THR 120 Ca 0.28 0.07 0.09 0.00 -1.18 0.00 0.00 61.69 60.95 2bm2 s THR 120 Cb -0.02 -2.35 -0.04 0.00 1.34 0.00 0.00 72.50 71.43 2bm2 s THR 120 CO 0.20 -0.09 -0.15 0.54 -0.54 0.00 0.00 174.62 174.59 2bm2 s VAL 121 N -2.74 2.96 -0.11 2.29 0.11 -0.76 -4.70 120.40 117.44 2bm2 s VAL 121 Ca 0.66 -1.64 -0.18 0.00 -2.93 0.00 0.00 61.98 57.89 2bm2 s VAL 121 Cb -0.21 -2.42 -0.04 0.00 -1.53 0.00 0.00 36.38 32.17 2bm2 s VAL 121 CO 0.60 -0.03 0.47 -0.89 -3.33 0.00 0.00 175.10 171.92 2bm2 s THR 122 N -1.49 5.17 0.21 5.04 2.01 -1.25 -4.73 115.64 120.60 2bm2 s THR 122 Ca 0.22 0.93 -0.20 0.00 0.31 0.00 0.00 61.69 62.95 2bm2 s THR 122 Cb -0.09 -3.80 -0.08 0.00 0.01 0.00 0.00 72.50 68.53 2bm2 s THR 122 CO 0.13 0.35 0.72 -0.76 -0.69 0.00 0.00 174.62 174.37 2bm2 s LEU 123 N 0.48 4.39 0.57 4.42 1.43 -1.26 -1.32 118.68 127.39 2bm2 s LEU 123 Ca 0.25 1.45 -0.17 0.00 -1.03 0.00 0.00 54.13 54.63 2bm2 s LEU 123 Cb -0.15 -3.51 -0.04 0.00 0.03 0.00 0.00 46.19 42.51 2bm2 s LEU 123 CO 0.10 0.07 1.07 -2.16 0.23 0.00 0.00 176.35 175.66 2bm2 s PRO 124 N -1.81 3.36 0.72 1.29 0.04 -1.26 -4.90 135.00 132.43 2bm2 s PRO 124 Ca 0.41 1.29 -0.14 0.00 0.04 0.00 0.00 61.00 62.60 2bm2 s PRO 124 Cb -0.18 -2.03 0.03 0.00 0.04 0.00 0.00 34.50 32.36 2bm2 s PRO 124 CO 0.22 -0.79 1.16 -1.25 0.04 0.00 0.00 177.00 176.38 2bm2 s PRO 125 N -3.84 2.33 0.63 0.56 0.04 -1.26 -4.86 135.00 128.60 2bm2 s PRO 125 Ca 0.66 1.58 0.25 0.00 0.04 0.00 0.00 61.00 63.52 2bm2 s PRO 125 Cb -0.17 -1.88 1.22 0.00 0.04 0.00 0.00 34.50 33.72 2bm2 s PRO 125 CO 0.33 -1.65 1.68 0.00 0.04 0.00 0.00 177.00 177.40 2bm2 h ALA 126 N -0.30 2.02 -0.01 8.56 0.00 -1.96 -2.13 119.26 125.44 2bm2 h ALA 126 Ca -0.47 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.43 2bm2 h ALA 126 Cb 1.27 0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.09 2bm2 h ALA 126 CO 0.51 -0.81 -0.08 0.43 0.00 0.00 0.00 179.25 179.30 2bm2 n SER 127 N -3.20 1.92 -4.58 0.00 7.64 -1.26 -4.92 113.62 109.22 2bm2 n SER 127 Ca 0.06 -1.46 -0.43 0.00 1.01 0.00 0.00 58.87 58.06 2bm2 n SER 127 Cb 0.77 0.14 0.00 0.00 -1.01 0.00 0.00 64.21 64.12 2bm2 n SER 127 CO 0.00 0.00 0.00 1.21 -3.01 0.00 0.00 175.04 173.24 2bm2 n GLU 128 N 0.48 1.23 -0.02 1.43 4.07 -0.80 -4.94 120.64 122.09 2bm2 n GLU 128 Ca 0.07 0.44 -0.02 0.00 -0.06 0.00 0.00 57.16 57.59 2bm2 n GLU 128 Cb 0.32 -1.89 -0.02 0.00 -0.06 0.00 0.00 31.44 29.79 2bm2 n GLU 128 CO 0.00 0.00 0.00 0.25 -0.06 0.00 0.00 177.13 177.32 2bm2 n THR 129 N -0.30 0.20 -2.52 6.31 -2.24 -1.26 -4.98 114.28 109.48 2bm2 n THR 129 Ca 0.10 -0.09 -0.01 0.00 -2.27 0.00 0.00 64.05 61.78 2bm2 n THR 129 Cb 0.37 -0.71 -0.01 0.00 -2.10 0.00 0.00 70.33 67.88 2bm2 n THR 129 CO 0.00 0.00 0.00 0.49 -0.57 0.00 0.00 175.07 174.99 2bm2 n PHE 130 N -2.46 -3.50 -1.57 4.78 3.72 -1.26 -4.99 117.46 112.18 2bm2 n PHE 130 Ca -0.06 1.63 -0.31 0.00 -0.05 0.00 0.00 57.45 58.66 2bm2 n PHE 130 Cb 0.57 -3.65 0.05 0.00 -0.94 0.00 0.00 39.48 35.52 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 -1.29 2.88 -0.82 -1.08 0.04 -1.26 -4.93 135.00 128.54 2bm2 s PRO 131 Ca -0.04 1.00 -0.31 0.00 0.04 0.00 0.00 61.00 61.68 2bm2 s PRO 131 Cb 0.00 -1.98 -0.18 0.00 0.04 0.00 0.00 34.50 32.38 2bm2 s PRO 131 CO 0.67 -1.14 2.57 -0.35 0.04 0.00 0.00 177.00 178.79 2bm2 n PRO 132 N -3.10 0.26 -0.80 0.56 -0.04 -1.26 -3.68 135.00 126.92 2bm2 n PRO 132 Ca 0.08 0.01 0.00 0.00 -0.04 0.00 0.00 63.50 63.55 2bm2 n PRO 132 Cb 0.53 -1.92 0.00 0.00 -0.04 0.00 0.00 33.50 32.07 2bm2 n PRO 132 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2bm2 n GLY 133 N 6.50 -0.22 3.24 0.55 0.00 -0.67 -4.94 105.19 109.65 2bm2 n GLY 133 Ca 0.58 -0.37 -0.17 0.00 0.00 0.00 0.00 46.02 46.05 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 -0.89 1.02 -0.83 1.61 1.75 -1.24 -4.84 119.30 115.87 2bm2 s MET 134 Ca 0.00 -1.25 -0.25 0.00 -1.25 0.00 0.00 55.69 52.94 2bm2 s MET 134 Cb 0.00 -0.86 -0.01 0.00 2.84 0.00 0.00 34.83 36.80 2bm2 s MET 134 CO 0.00 0.16 1.75 -2.14 -0.65 0.00 0.00 175.02 174.14 2bm2 s PRO 135 N -2.77 2.85 0.17 4.11 0.02 -1.26 -4.16 135.00 133.96 2bm2 s PRO 135 Ca 0.09 -0.21 0.11 0.00 0.02 0.00 0.00 61.00 61.01 2bm2 s PRO 135 Cb -0.04 -4.85 -0.04 0.00 0.02 0.00 0.00 34.50 29.59 2bm2 s PRO 135 CO 0.03 -2.84 -0.24 0.00 -0.33 0.00 0.00 177.00 173.61 2bm2 s TRP 137 N -1.51 1.30 0.03 0.00 0.52 0.13 0.15 118.94 119.57 2bm2 s TRP 137 Ca 0.18 -0.38 0.06 0.00 0.02 0.00 0.00 56.10 55.98 2bm2 s TRP 137 Cb -0.08 -0.76 -0.02 0.00 -1.15 0.00 0.00 33.47 31.45 2bm2 s TRP 137 CO 0.08 0.05 -0.17 0.54 0.02 0.00 0.00 176.95 177.48 2bm2 s VAL 138 N -0.93 1.35 0.06 4.03 0.11 -0.88 0.57 120.40 124.70 2bm2 s VAL 138 Ca 0.02 -1.03 -0.00 0.00 -2.93 0.00 0.00 61.98 58.04 2bm2 s VAL 138 Cb -0.08 -1.18 -0.04 0.00 -1.53 0.00 0.00 36.38 33.54 2bm2 s VAL 138 CO 0.02 0.13 -0.04 0.42 -3.33 0.00 0.00 175.10 172.30 2bm2 s THR 139 N -0.76 0.30 0.00 5.04 -4.23 -1.17 -2.39 115.64 112.43 2bm2 s THR 139 Ca 0.05 -1.77 0.00 0.00 -1.18 0.00 0.00 61.69 58.79 2bm2 s THR 139 Cb -0.08 -1.46 0.00 0.00 1.34 0.00 0.00 72.50 72.30 2bm2 s THR 139 CO 0.01 -0.94 0.00 0.61 -0.54 0.00 0.00 174.62 173.76 2bm2 n GLY 140 N 0.19 -0.13 1.65 3.99 0.00 -0.96 -4.47 105.19 105.46 2bm2 n GLY 140 Ca -0.14 -1.26 -0.12 0.00 0.00 0.00 0.00 46.02 44.50 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 -0.97 2.00 -1.39 1.61 8.01 -1.26 -2.21 117.44 123.22 2bm2 n TRP 141 Ca 0.00 -1.62 -0.05 0.00 -1.31 0.00 0.00 57.50 54.52 2bm2 n TRP 141 Cb 0.00 -0.68 0.03 0.00 -2.01 0.00 0.00 31.31 28.65 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 -1.01 -0.80 3.78 6.99 0.00 -1.26 -4.76 105.19 108.13 2bm2 n GLY 142 Ca 0.44 -1.74 -0.41 0.00 0.00 0.00 0.00 46.02 44.31 2bm2 n GLY 142 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2bm2 s ASP 143 N -1.81 6.41 0.00 1.61 1.01 -0.42 -3.60 116.67 119.87 2bm2 s ASP 143 Ca 0.13 2.99 0.29 0.00 0.71 0.00 0.00 52.55 56.67 2bm2 s ASP 143 Cb -0.00 -2.66 1.27 0.00 1.01 0.00 0.00 42.92 42.53 2bm2 s ASP 143 CO 0.09 -0.82 1.90 1.33 0.21 0.00 0.00 175.17 177.88 2bm2 n VAL 144 N 0.59 0.00 -3.61 -1.27 0.24 -0.72 -1.37 118.33 112.19 2bm2 n VAL 144 Ca 0.01 -0.03 0.00 0.00 -2.04 0.00 0.00 64.34 62.29 2bm2 n VAL 144 Cb 0.40 -0.27 -0.01 0.00 -1.47 0.00 0.00 33.84 32.49 2bm2 n VAL 144 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 2bm2 s ASP 145 N -2.63 -0.07 -0.20 -1.34 -1.08 -1.20 -4.27 116.67 105.88 2bm2 s ASP 145 Ca 0.25 -0.09 -0.37 0.00 -0.52 0.00 0.00 52.55 51.81 2bm2 s ASP 145 Cb 0.20 0.14 -0.14 0.00 -1.46 0.00 0.00 42.92 41.66 2bm2 s ASP 145 CO 0.50 -0.26 1.83 0.59 0.52 0.00 0.00 175.17 178.35 2bm2 n ASN 146 N -0.39 2.87 -1.12 -0.34 3.02 -1.26 -0.50 115.26 117.53 2bm2 n ASN 146 Ca -0.06 1.01 -0.15 0.00 -0.03 0.00 0.00 54.58 55.35 2bm2 n ASN 146 Cb 0.62 -1.25 -0.06 0.00 -0.61 0.00 0.00 39.78 38.48 2bm2 n ASN 146 CO 0.00 0.00 0.00 0.47 -2.62 0.00 0.00 177.26 175.11 2bm2 n ASP 147 N 6.14 -4.97 -4.04 6.41 9.92 -1.26 -4.97 116.55 123.78 2bm2 n ASP 147 Ca 0.25 0.36 -0.31 0.00 -0.53 0.00 0.00 54.79 54.56 2bm2 n ASP 147 Cb 0.21 -3.76 -0.16 0.00 -0.64 0.00 0.00 41.12 36.77 2bm2 n ASP 147 CO 0.00 0.00 0.00 -1.61 0.13 0.00 0.00 177.20 175.72 2bm2 s GLU 149 N -3.19 2.33 0.65 -1.24 2.02 0.34 -5.11 118.70 114.50 2bm2 s GLU 149 Ca 0.00 -0.86 -0.10 0.00 0.02 0.00 0.00 54.97 54.03 2bm2 s GLU 149 Cb 0.00 -2.46 -0.01 0.00 0.10 0.00 0.00 34.13 31.76 2bm2 s GLU 149 CO 0.00 -0.36 1.03 1.03 0.02 0.00 0.00 175.26 176.98 2bm2 s ARG 150 N 1.35 3.19 0.00 1.61 3.00 -1.26 -1.76 118.95 125.08 2bm2 s ARG 150 Ca 0.00 0.50 0.00 0.00 0.00 0.00 0.00 55.73 56.23 2bm2 s ARG 150 Cb -0.15 -2.09 0.00 0.00 0.00 0.00 0.00 34.95 32.70 2bm2 s ARG 150 CO -0.09 -0.77 0.00 -0.11 0.00 0.00 0.00 175.30 174.33 2bm2 n LEU 151 N -2.82 0.00 -1.98 2.53 7.94 -1.26 -4.36 117.00 117.06 2bm2 n LEU 151 Ca 0.06 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.96 2bm2 n LEU 151 Cb 0.56 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.51 2bm2 n LEU 151 CO 0.57 -0.54 0.00 -0.81 -1.11 0.00 0.00 177.39 175.50 2bm2 n PRO 152 N -0.84 0.00 -3.76 1.96 -0.04 -1.26 -5.05 135.00 126.02 2bm2 n PRO 152 Ca 0.00 0.00 -0.35 0.00 -0.04 0.00 0.00 63.50 63.11 2bm2 n PRO 152 Cb 0.00 -0.55 0.04 0.00 -0.04 0.00 0.00 33.50 32.95 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 0.79 -1.81 -2.60 0.54 3.72 -1.26 -3.63 117.46 113.22 2bm2 n PHE 153 Ca 0.00 0.37 -0.37 0.00 -0.05 0.00 0.00 57.45 57.40 2bm2 n PHE 153 Cb 0.00 -3.29 -0.05 0.00 -0.94 0.00 0.00 39.48 35.20 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 -6.26 4.39 0.06 -1.08 0.04 -1.26 -0.63 135.00 130.26 2bm2 s PRO 154 Ca 0.48 1.52 -0.30 0.00 0.04 0.00 0.00 61.00 62.73 2bm2 s PRO 154 Cb -0.19 -2.76 -0.09 0.00 0.04 0.00 0.00 34.50 31.51 2bm2 s PRO 154 CO 0.88 0.06 1.76 -1.17 0.04 0.00 0.00 177.00 178.57 2bm2 s LEU 155 N -2.21 4.38 0.24 -3.56 2.96 -0.23 -4.85 118.68 115.41 2bm2 s LEU 155 Ca 0.53 2.56 0.02 0.00 -0.22 0.00 0.00 54.13 57.01 2bm2 s LEU 155 Cb -0.23 -3.55 -0.03 0.00 0.50 0.00 0.00 46.19 42.87 2bm2 s LEU 155 CO 0.29 -0.95 0.40 -0.54 -1.32 0.00 0.00 176.35 174.23 2bm2 s LYS 156 N 3.21 3.47 0.02 1.98 1.02 -0.94 -0.14 119.74 128.37 2bm2 s LYS 156 Ca 0.78 -0.53 -0.01 0.00 0.02 0.00 0.00 55.97 56.23 2bm2 s LYS 156 Cb -0.41 -2.84 -0.02 0.00 -0.52 0.00 0.00 37.83 34.04 2bm2 s LYS 156 CO 0.35 0.37 -0.02 1.14 -0.92 0.00 0.00 175.35 176.27 2bm2 s GLN 157 N -3.78 0.36 -0.22 1.68 -2.07 0.12 -2.27 119.66 113.48 2bm2 s GLN 157 Ca 0.37 -0.67 -0.18 0.00 -1.82 0.00 0.00 55.36 53.05 2bm2 s GLN 157 Cb -0.10 0.13 0.06 0.00 -1.09 0.00 0.00 33.01 32.01 2bm2 s GLN 157 CO 0.31 -0.06 0.58 0.54 -1.32 0.00 0.00 175.29 175.33 2bm2 s VAL 158 N -1.78 -0.00 0.03 3.63 0.11 -1.01 -0.90 120.40 120.48 2bm2 s VAL 158 Ca -0.13 0.01 -0.24 0.00 -2.93 0.00 0.00 61.98 58.69 2bm2 s VAL 158 Cb -0.08 -0.82 -0.05 0.00 -1.53 0.00 0.00 36.38 33.91 2bm2 s VAL 158 CO -0.02 0.01 0.75 -0.75 -3.33 0.00 0.00 175.10 171.75 2bm2 s LYS 159 N 0.67 4.47 -0.03 1.54 2.20 -1.26 -2.08 119.74 125.26 2bm2 s LYS 159 Ca -0.03 1.02 0.02 0.00 -0.36 0.00 0.00 55.97 56.62 2bm2 s LYS 159 Cb -0.05 -3.37 0.01 0.00 -1.51 0.00 0.00 37.83 32.91 2bm2 s LYS 159 CO -0.04 0.26 -0.07 0.14 -0.36 0.00 0.00 175.35 175.28 2bm2 s VAL 160 N 0.06 0.62 0.23 4.02 -7.23 0.12 -4.92 120.40 113.30 2bm2 s VAL 160 Ca 0.38 -0.25 -0.30 0.00 -1.81 0.00 0.00 61.98 60.00 2bm2 s VAL 160 Cb -0.20 -0.57 -0.09 0.00 0.56 0.00 0.00 36.38 36.08 2bm2 s VAL 160 CO 0.22 0.21 1.19 -2.16 -0.31 0.00 0.00 175.10 174.24 2bm2 s PRO 161 N 0.35 4.52 0.43 4.82 0.04 -1.26 -3.58 135.00 140.31 2bm2 s PRO 161 Ca -0.05 1.90 -0.21 0.00 0.04 0.00 0.00 61.00 62.67 2bm2 s PRO 161 Cb -0.09 -3.21 -0.10 0.00 0.04 0.00 0.00 34.50 31.14 2bm2 s PRO 161 CO 0.00 -0.02 0.97 0.42 0.04 0.00 0.00 177.00 178.41 2bm2 s ILE 162 N -0.47 4.25 -0.08 0.56 -1.09 -1.26 -1.22 121.20 121.89 2bm2 s ILE 162 Ca 0.50 1.46 0.00 0.00 -2.23 0.00 0.00 60.65 60.38 2bm2 s ILE 162 Cb -0.33 -3.62 0.02 0.00 -1.58 0.00 0.00 42.46 36.95 2bm2 s ILE 162 CO 0.40 -0.25 -0.07 -0.32 -1.23 0.00 0.00 174.94 173.46 2bm2 s MET 163 N -3.06 1.34 0.49 2.79 1.75 -0.66 -1.68 119.30 120.27 2bm2 s MET 163 Ca 0.62 -0.23 -0.22 0.00 -1.25 0.00 0.00 55.69 54.61 2bm2 s MET 163 Cb -0.12 -1.33 -0.08 0.00 2.84 0.00 0.00 34.83 36.14 2bm2 s MET 163 CO 0.16 -0.16 1.06 -0.85 -0.65 0.00 0.00 175.02 174.57 2bm2 n GLU 164 N 4.51 1.32 -0.35 4.11 -0.00 -1.26 -3.87 120.64 125.11 2bm2 n GLU 164 Ca -0.17 0.48 0.04 0.00 -0.00 0.00 0.00 57.16 57.52 2bm2 n GLU 164 Cb 0.51 -2.18 0.20 0.00 -0.00 0.00 0.00 31.44 29.97 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 1.28 0.91 -0.44 -1.84 -0.26 -1.94 -0.46 115.58 112.84 2bm2 h ASN 165 Ca -0.47 0.03 -0.05 0.00 -0.56 0.00 0.00 56.30 55.25 2bm2 h ASN 165 Cb 1.34 -0.15 -0.02 0.00 -1.06 0.00 0.00 38.32 38.42 2bm2 h ASN 165 CO 0.55 0.53 0.06 0.45 -1.06 0.00 0.00 177.43 177.97 2bm2 h HIS 166 N 1.02 0.78 -0.48 1.19 3.86 -1.94 0.27 115.15 119.84 2bm2 h HIS 166 Ca 0.45 -0.11 -0.06 0.00 -1.16 0.00 0.00 60.37 59.49 2bm2 h HIS 166 Cb 0.33 -0.21 -0.02 0.00 1.06 0.00 0.00 27.41 28.57 2bm2 h HIS 166 CO -0.02 0.74 0.06 0.82 0.86 0.00 0.00 177.93 180.39 2bm2 h ILE 167 N 0.59 1.23 0.04 2.45 1.08 -1.77 -2.30 117.51 118.82 2bm2 h ILE 167 Ca 0.13 -0.89 -0.00 0.00 -0.39 0.00 0.00 64.86 63.71 2bm2 h ILE 167 Cb 0.39 0.80 0.00 0.00 -3.07 0.00 0.00 36.82 34.94 2bm2 h ILE 167 CO 0.01 0.32 -0.02 0.00 -0.69 0.00 0.00 178.15 177.77 2bm2 h ASP 169 N -0.60 0.48 -0.73 0.00 -0.00 -0.43 0.07 116.42 115.21 2bm2 h ASP 169 Ca -0.01 0.09 -0.03 0.00 -0.00 0.00 0.00 57.03 57.08 2bm2 h ASP 169 Cb 0.54 0.02 -0.03 0.00 -0.00 0.00 0.00 39.33 39.85 2bm2 h ASP 169 CO 0.01 0.20 0.33 0.00 -0.00 0.00 0.00 179.24 179.78 2bm2 h ALA 170 N 1.55 0.95 -0.20 -0.78 0.00 -1.41 -1.71 119.26 117.66 2bm2 h ALA 170 Ca 0.45 -0.17 -0.02 0.00 0.00 0.00 0.00 54.91 55.17 2bm2 h ALA 170 Cb 0.63 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 18.12 2bm2 h ALA 170 CO -0.36 0.54 0.02 0.87 0.00 0.00 0.00 179.25 180.32 2bm2 h LYS 171 N 1.04 0.28 0.00 0.00 1.79 -0.63 -1.38 116.57 117.67 2bm2 h LYS 171 Ca 0.25 -0.04 -0.01 0.00 -2.18 0.00 0.00 60.65 58.67 2bm2 h LYS 171 Cb 0.16 -0.05 -0.00 0.00 -1.58 0.00 0.00 32.23 30.76 2bm2 h LYS 171 CO -0.03 0.29 -0.05 1.88 -1.08 0.00 0.00 179.45 180.47 2bm2 h TYR 172 N 0.28 0.00 0.00 -1.35 -1.99 -0.27 -2.97 116.97 110.67 2bm2 h TYR 172 Ca 0.07 0.00 -0.05 0.00 2.00 0.00 0.00 58.73 60.75 2bm2 h TYR 172 Cb 0.16 0.00 -0.01 0.00 2.00 0.00 0.00 36.73 38.88 2bm2 h TYR 172 CO 0.00 0.05 -0.36 0.45 -0.00 0.00 0.00 178.16 178.30 2bm2 h HIS 173 N 0.00 0.00 -2.63 4.88 3.86 -0.77 -3.43 115.15 117.06 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 0.85 0.00 0.04 0.00 1.06 0.00 0.00 27.41 29.36 2bm2 h HIS 173 CO 0.00 0.21 1.04 -0.51 0.86 0.00 0.00 177.93 179.52 2bm2 s LEU 173 N -6.18 4.38 -1.15 2.43 1.43 -0.96 -1.59 118.68 117.04 2bm2 s LEU 173 Ca 0.05 2.73 0.00 0.00 -1.03 0.00 0.00 54.13 55.88 2bm2 s LEU 173 Cb 0.07 -3.58 0.00 0.00 0.03 0.00 0.00 46.19 42.71 2bm2 s LEU 173 CO 0.72 -0.96 0.00 0.61 0.23 0.00 0.00 176.35 176.95 2bm2 n GLY 173 N 4.07 0.69 3.14 -3.19 0.00 -1.26 -5.01 105.19 103.63 2bm2 n GLY 173 Ca 0.16 -0.44 -0.16 0.00 0.00 0.00 0.00 46.02 45.59 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 -2.50 1.00 0.17 4.61 0.00 -0.62 -5.06 121.76 119.35 2bm2 s ALA 173 Ca 0.00 -1.00 -0.05 0.00 0.00 0.00 0.00 51.96 50.91 2bm2 s ALA 173 Cb 0.00 -0.02 0.05 0.00 0.00 0.00 0.00 23.12 23.15 2bm2 s ALA 173 CO 0.00 0.06 1.47 1.88 0.00 0.00 0.00 175.76 179.16 2bm2 h TYR 173 N 4.12 0.79 -1.12 0.00 0.05 -1.95 -3.46 116.97 115.40 2bm2 h TYR 173 Ca -0.38 -0.29 -0.70 0.00 0.05 0.00 0.00 58.73 57.41 2bm2 h TYR 173 Cb 1.19 -0.15 0.09 0.00 1.01 0.00 0.00 36.73 38.88 2bm2 h TYR 173 CO 0.64 1.05 -0.30 2.41 -1.05 0.00 0.00 178.16 180.90 2bm2 n THR 173 N -3.96 1.42 0.00 -2.88 -1.04 -1.26 -5.15 114.28 101.41 2bm2 n THR 173 Ca -0.04 -0.36 0.00 0.00 -2.04 0.00 0.00 64.05 61.62 2bm2 n THR 173 Cb 0.62 -0.09 0.00 0.00 -1.82 0.00 0.00 70.33 69.04 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 1.84 -3.04 0.00 3.41 0.00 -1.26 -4.95 105.19 101.19 2bm2 n GLY 173 Ca 0.18 -0.93 0.00 0.00 0.00 0.00 0.00 46.02 45.27 2bm2 n GLY 173 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2bm2 n ASP 173 N 0.00 0.00 -4.52 1.61 8.00 -1.26 -4.65 116.55 115.73 2bm2 n ASP 173 Ca 0.00 0.00 -0.41 0.00 0.71 0.00 0.00 54.79 55.09 2bm2 n ASP 173 Cb 0.00 0.00 -0.10 0.00 -0.02 0.00 0.00 41.12 41.00 2bm2 n ASP 173 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 2bm2 s VAL 173 N 0.00 5.22 0.23 2.53 1.01 -1.26 -5.05 120.40 123.08 2bm2 s VAL 173 Ca 0.00 -0.17 -0.27 0.00 0.00 0.00 0.00 61.98 61.54 2bm2 s VAL 173 Cb 0.00 -3.81 -0.09 0.00 0.00 0.00 0.00 36.38 32.48 2bm2 s VAL 173 CO 0.00 -0.12 0.88 0.00 0.00 0.00 0.00 175.10 175.86 2bm2 s ARG 174 N 1.88 4.69 -0.24 2.72 1.70 -1.26 -4.93 118.95 123.51 2bm2 s ARG 174 Ca 0.09 1.33 -0.13 0.00 -0.47 0.00 0.00 55.73 56.54 2bm2 s ARG 174 Cb -0.17 -3.16 -0.10 0.00 -0.57 0.00 0.00 34.95 30.95 2bm2 s ARG 174 CO 0.11 0.48 -0.32 -0.89 -1.08 0.00 0.00 175.30 173.60 2bm2 n ILE 175 N 1.30 1.39 -2.61 4.99 5.41 -1.26 -4.81 119.36 123.77 2bm2 n ILE 175 Ca -0.02 -0.27 -0.43 0.00 1.00 0.00 0.00 62.75 63.03 2bm2 n ILE 175 Cb 0.48 -1.91 -0.02 0.00 -0.71 0.00 0.00 39.64 37.48 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 -2.51 4.20 0.76 1.39 1.01 -1.26 -5.01 120.40 118.97 2bm2 s VAL 176 Ca -0.34 1.16 -0.10 0.00 0.00 0.00 0.00 61.98 62.70 2bm2 s VAL 176 Cb 0.12 -4.61 0.07 0.00 0.00 0.00 0.00 36.38 31.96 2bm2 s VAL 176 CO 0.43 -1.04 1.11 -0.13 0.00 0.00 0.00 175.10 175.46 2bm2 s ARG 177 N 4.48 2.05 0.55 2.72 0.52 -1.26 -4.85 118.95 123.17 2bm2 s ARG 177 Ca 0.47 -0.07 0.34 0.00 -0.52 0.00 0.00 55.73 55.95 2bm2 s ARG 177 Cb -0.07 -2.05 1.48 0.00 0.52 0.00 0.00 34.95 34.83 2bm2 s ARG 177 CO 0.31 -1.45 2.03 -0.44 0.02 0.00 0.00 175.30 175.78 2bm2 h ASP 178 N -0.86 0.00 -0.67 0.23 3.32 -2.00 -1.34 116.42 115.10 2bm2 h ASP 178 Ca -0.45 0.00 -0.13 0.00 0.02 0.00 0.00 57.03 56.47 2bm2 h ASP 178 Cb 1.32 0.00 -0.08 0.00 0.22 0.00 0.00 39.33 40.80 2bm2 h ASP 178 CO 0.63 0.04 0.16 -0.90 -1.72 0.00 0.00 179.24 177.45 2bm2 n ASP 179 N -3.18 5.21 -4.53 6.45 5.75 -1.26 -4.91 116.55 120.08 2bm2 n ASP 179 Ca -0.00 -3.09 -0.26 0.00 -0.01 0.00 0.00 54.79 51.43 2bm2 n ASP 179 Cb 0.28 -0.72 -0.10 0.00 -1.03 0.00 0.00 41.12 39.54 2bm2 n ASP 179 CO 0.00 0.00 0.00 -0.04 -0.11 0.00 0.00 177.20 177.05 2bm2 s MET 180 N -2.87 1.87 -0.10 0.11 -1.94 -0.51 -1.22 119.30 114.64 2bm2 s MET 180 Ca 0.55 -2.08 -0.17 0.00 -1.71 0.00 0.00 55.69 52.28 2bm2 s MET 180 Cb 0.43 -1.26 0.04 0.00 2.01 0.00 0.00 34.83 36.05 2bm2 s MET 180 CO 0.14 -0.17 0.42 -1.17 -0.01 0.00 0.00 175.02 174.23 2bm2 s LEU 181 N -3.64 0.41 0.06 -0.03 0.20 0.61 -4.51 118.68 111.79 2bm2 s LEU 181 Ca 0.31 0.57 0.04 0.00 0.69 0.00 0.00 54.13 55.75 2bm2 s LEU 181 Cb 0.08 1.53 -0.04 0.00 -0.43 0.00 0.00 46.19 47.33 2bm2 s LEU 181 CO 0.15 -0.31 -0.03 0.00 -0.29 0.00 0.00 176.35 175.87 2bm2 s ALA 183 N -1.21 -1.59 0.00 0.00 0.00 -0.72 -1.66 121.76 116.59 2bm2 s ALA 183 Ca 0.23 1.06 0.00 0.00 0.00 0.00 0.00 51.96 53.25 2bm2 s ALA 183 Cb -0.11 0.11 0.00 0.00 0.00 0.00 0.00 23.12 23.11 2bm2 s ALA 183 CO 0.14 -0.40 0.00 0.41 0.00 0.00 0.00 175.76 175.92 2bm2 n GLY 184 N 0.82 1.25 0.00 0.00 0.00 -0.36 -1.11 105.19 105.79 2bm2 n GLY 184 Ca -0.19 -2.02 0.00 0.00 0.00 0.00 0.00 46.02 43.81 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 -0.43 -4.67 115.26 112.01 2bm2 n ASN 185 Ca 0.00 -0.06 0.05 0.00 -0.53 0.00 0.00 54.58 54.04 2bm2 n ASN 185 Cb 0.00 0.00 0.27 0.00 -2.08 0.00 0.00 39.78 37.97 2bm2 n ASN 185 CO 0.00 0.00 0.00 0.41 -0.93 0.00 0.00 177.26 176.74 2bm2 n THR 186 N 0.00 0.00 0.00 5.53 -1.04 -1.26 -3.52 114.28 113.99 2bm2 n THR 186 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.01 2bm2 n THR 186 Cb 0.00 -0.27 0.00 0.00 -1.82 0.00 0.00 70.33 68.24 2bm2 n THR 186 CO 0.00 0.00 0.00 -1.14 -0.64 0.00 0.00 175.07 173.29 2bm2 n ARG 187 N -0.67 3.70 -3.98 -2.82 0.63 -1.26 -4.82 116.66 107.43 2bm2 n ARG 187 Ca 0.07 0.00 -0.19 0.00 -0.92 0.00 0.00 57.85 56.80 2bm2 n ARG 187 Cb 0.03 -0.41 -0.17 0.00 0.45 0.00 0.00 32.46 32.36 2bm2 n ARG 187 CO 0.00 0.00 0.00 1.03 -2.51 0.00 0.00 177.63 176.15 2bm2 s ARG 188 N -0.27 0.56 0.06 -0.14 3.00 -1.23 -3.99 118.95 116.93 2bm2 s ARG 188 Ca 0.00 0.02 -0.28 0.00 0.00 0.00 0.00 55.73 55.47 2bm2 s ARG 188 Cb 0.00 -0.72 0.10 0.00 0.00 0.00 0.00 34.95 34.33 2bm2 s ARG 188 CO 0.00 -0.15 1.14 0.34 0.00 0.00 0.00 175.30 176.62 2bm2 s ASP 189 N 1.20 -0.11 0.48 0.23 3.68 -1.16 -1.31 116.67 119.69 2bm2 s ASP 189 Ca -0.07 -0.25 0.06 0.00 2.13 0.00 0.00 52.55 54.42 2bm2 s ASP 189 Cb -0.14 0.31 0.03 0.00 -1.45 0.00 0.00 42.92 41.68 2bm2 s ASP 189 CO -0.02 -0.57 0.67 -0.94 0.13 0.00 0.00 175.17 174.44 2bm2 s SER 190 N -2.94 5.43 0.32 -0.34 1.04 -1.26 -0.91 113.70 115.04 2bm2 s SER 190 Ca 0.13 -0.40 -0.13 0.00 0.48 0.00 0.00 55.95 56.03 2bm2 s SER 190 Cb 0.02 -0.53 0.02 0.00 0.10 0.00 0.00 66.02 65.64 2bm2 s SER 190 CO -0.01 -0.98 0.63 0.00 0.98 0.00 0.00 173.24 173.86 2bm2 n GLN 192 N -0.49 0.84 0.00 0.00 7.27 -1.26 -0.34 117.38 123.40 2bm2 n GLN 192 Ca -0.04 0.30 0.00 0.00 0.07 0.00 0.00 57.00 57.33 2bm2 n GLN 192 Cb 0.61 -1.64 0.00 0.00 2.41 0.00 0.00 30.24 31.62 2bm2 n GLN 192 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 2bm2 n GLY 193 N 1.74 3.09 0.11 1.69 0.00 -1.26 -1.30 105.19 109.27 2bm2 n GLY 193 Ca 0.15 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.20 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 0.04 0.00 -1.17 1.61 3.32 -1.02 -3.29 116.42 115.92 2bm2 h ASP 194 Ca 0.00 0.00 -0.54 0.00 0.02 0.00 0.00 57.03 56.51 2bm2 h ASP 194 Cb 0.00 0.00 0.12 0.00 0.22 0.00 0.00 39.33 39.67 2bm2 h ASP 194 CO 0.00 0.39 -0.65 -1.20 -1.72 0.00 0.00 179.24 176.06 2bm2 n SER 195 N -2.89 -1.84 0.00 6.45 7.64 -1.25 -1.07 113.62 120.66 2bm2 n SER 195 Ca -0.05 0.79 0.00 0.00 1.01 0.00 0.00 58.87 60.62 2bm2 n SER 195 Cb 0.74 -0.76 0.00 0.00 -1.01 0.00 0.00 64.21 63.18 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 1.83 2.95 3.76 0.23 0.00 0.53 0.07 105.19 114.56 2bm2 n GLY 196 Ca 0.12 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.84 2bm2 n GLY 196 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2bm2 s GLY 197 N -1.10 1.61 0.30 -0.02 0.00 -0.23 -3.49 107.32 104.39 2bm2 s GLY 197 Ca 0.00 -0.73 -0.07 0.00 0.00 0.00 0.00 44.72 43.93 2bm2 s GLY 197 CO 0.00 -0.05 0.59 2.56 0.00 0.00 0.00 173.10 176.20 2bm2 s PRO 198 N -5.38 3.68 -0.22 2.90 0.04 -1.26 -1.20 135.00 133.55 2bm2 s PRO 198 Ca 0.67 0.13 0.02 0.00 0.04 0.00 0.00 61.00 61.86 2bm2 s PRO 198 Cb -0.12 -2.60 0.05 0.00 0.04 0.00 0.00 34.50 31.86 2bm2 s PRO 198 CO 0.54 0.19 -0.13 -1.17 0.04 0.00 0.00 177.00 176.47 2bm2 s LEU 199 N -3.48 2.80 -0.06 -3.56 2.96 -0.87 -3.02 118.68 113.44 2bm2 s LEU 199 Ca 0.46 -1.08 0.03 0.00 -0.22 0.00 0.00 54.13 53.32 2bm2 s LEU 199 Cb -0.11 -1.44 -0.03 0.00 0.50 0.00 0.00 46.19 45.11 2bm2 s LEU 199 CO 0.29 -0.13 -0.14 0.68 -1.32 0.00 0.00 176.35 175.73 2bm2 s VAL 200 N 1.23 3.12 -0.10 1.68 -7.23 0.19 -0.99 120.40 118.29 2bm2 s VAL 200 Ca -0.03 -0.70 0.02 0.00 -1.81 0.00 0.00 61.98 59.46 2bm2 s VAL 200 Cb -0.17 -2.23 0.01 0.00 0.56 0.00 0.00 36.38 34.54 2bm2 s VAL 200 CO -0.08 0.58 -0.18 0.00 -0.31 0.00 0.00 175.10 175.12 2bm2 s LYS 202 N 0.77 3.78 -0.25 0.00 2.20 -1.23 -1.23 119.74 123.77 2bm2 s LYS 202 Ca -0.10 0.60 0.01 0.00 -0.36 0.00 0.00 55.97 56.11 2bm2 s LYS 202 Cb -0.16 -3.86 0.07 0.00 -1.51 0.00 0.00 37.83 32.37 2bm2 s LYS 202 CO 0.01 -1.20 -0.02 0.54 -0.36 0.00 0.00 175.35 174.32 2bm2 s VAL 203 N 4.05 1.50 -0.74 4.02 0.11 -0.66 -4.80 120.40 123.88 2bm2 s VAL 203 Ca 0.44 -1.34 -0.03 0.00 -2.93 0.00 0.00 61.98 58.12 2bm2 s VAL 203 Cb -0.09 -1.85 0.00 0.00 -1.53 0.00 0.00 36.38 32.91 2bm2 s VAL 203 CO 0.26 -0.23 0.63 0.59 -3.33 0.00 0.00 175.10 173.02 2bm2 n ASN 204 N 4.66 -3.27 0.00 3.54 5.03 -1.26 -3.17 115.26 120.79 2bm2 n ASN 204 Ca -0.09 -0.33 0.00 0.00 0.87 0.00 0.00 54.58 55.03 2bm2 n ASN 204 Cb 0.44 -3.14 0.00 0.00 -1.02 0.00 0.00 39.78 36.06 2bm2 n ASN 204 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 2bm2 n GLY 205 N -1.22 2.92 3.65 7.41 0.00 -1.26 -4.98 105.19 111.70 2bm2 n GLY 205 Ca -0.08 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.58 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 -0.88 5.22 -0.12 2.61 2.01 -1.19 -5.07 115.64 118.22 2bm2 s THR 206 Ca 0.00 0.13 -0.30 0.00 0.31 0.00 0.00 61.69 61.83 2bm2 s THR 206 Cb 0.00 -3.42 -0.01 0.00 0.01 0.00 0.00 72.50 69.08 2bm2 s THR 206 CO 0.00 0.37 1.09 0.26 -0.69 0.00 0.00 174.62 175.65 2bm2 s TRP 207 N 0.93 3.33 -0.03 4.92 0.52 -1.26 -1.65 118.94 125.70 2bm2 s TRP 207 Ca 0.07 1.41 0.06 0.00 0.02 0.00 0.00 56.10 57.66 2bm2 s TRP 207 Cb -0.13 -3.30 -0.02 0.00 -1.15 0.00 0.00 33.47 28.87 2bm2 s TRP 207 CO 0.03 -0.70 -0.21 -0.51 0.02 0.00 0.00 176.95 175.58 2bm2 s LEU 208 N 2.41 2.36 -0.54 2.99 2.01 -0.37 -3.86 118.68 123.68 2bm2 s LEU 208 Ca 0.50 -0.35 -0.27 0.00 0.01 0.00 0.00 54.13 54.02 2bm2 s LEU 208 Cb -0.20 -1.44 0.03 0.00 0.01 0.00 0.00 46.19 44.60 2bm2 s LEU 208 CO 0.17 0.33 1.08 -1.58 1.01 0.00 0.00 176.35 177.35 2bm2 s GLN 209 N -0.71 3.49 0.09 1.70 0.74 -0.43 -0.58 119.66 123.97 2bm2 s GLN 209 Ca 0.11 0.13 -0.03 0.00 0.05 0.00 0.00 55.36 55.62 2bm2 s GLN 209 Cb -0.10 -4.00 -0.23 0.00 1.10 0.00 0.00 33.01 29.78 2bm2 s GLN 209 CO -0.00 -1.52 1.19 0.00 -0.55 0.00 0.00 175.29 174.41 2bm2 h ALA 210 N 9.37 0.18 -2.93 1.58 0.00 -1.41 -3.39 119.26 122.65 2bm2 h ALA 210 Ca -0.25 -0.85 -0.12 0.00 0.00 0.00 0.00 54.91 53.69 2bm2 h ALA 210 Cb 1.06 -0.01 -0.05 0.00 0.00 0.00 0.00 17.79 18.79 2bm2 h ALA 210 CO 1.13 0.97 0.01 0.20 0.00 0.00 0.00 179.25 181.55 2bm2 s GLY 211 N -4.62 0.80 -0.14 0.00 0.00 -1.18 -1.74 107.32 100.44 2bm2 s GLY 211 Ca -0.04 -1.04 -0.00 0.00 0.00 0.00 0.00 44.72 43.64 2bm2 s GLY 211 CO 0.87 -0.63 -0.14 0.14 0.00 0.00 0.00 173.10 173.35 2bm2 s VAL 212 N -3.09 2.90 -0.03 1.40 1.01 -0.95 -2.05 120.40 119.60 2bm2 s VAL 212 Ca 0.22 -0.70 -0.34 0.00 0.00 0.00 0.00 61.98 61.16 2bm2 s VAL 212 Cb -0.02 -2.22 -0.12 0.00 0.00 0.00 0.00 36.38 34.01 2bm2 s VAL 212 CO 0.14 0.52 1.83 0.52 0.00 0.00 0.00 175.10 178.10 2bm2 n VAL 213 N 3.77 0.48 0.04 2.92 0.31 -0.34 -1.51 118.33 123.99 2bm2 n VAL 213 Ca -0.18 -0.09 0.00 0.00 -0.01 0.00 0.00 64.34 64.06 2bm2 n VAL 213 Cb 0.52 -1.84 0.00 0.00 -0.91 0.00 0.00 33.84 31.61 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 6.05 0.44 -1.65 4.52 2.88 -1.06 -0.35 113.62 124.47 2bm2 n SER 214 Ca 0.21 0.12 -0.01 0.00 -1.33 0.00 0.00 58.87 57.87 2bm2 n SER 214 Cb 0.30 -0.09 0.01 0.00 -0.75 0.00 0.00 64.21 63.68 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 -3.22 -0.70 -0.07 0.66 4.27 -0.77 -4.94 117.44 112.67 2bm2 n TRP 215 Ca 0.00 -0.32 0.00 0.00 -3.89 0.00 0.00 57.50 53.29 2bm2 n TRP 215 Cb 0.18 0.16 0.00 0.00 -1.36 0.00 0.00 31.31 30.28 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 -0.20 -2.75 3.36 -1.67 0.00 -1.26 -1.07 105.19 101.59 2bm2 n GLY 216 Ca -0.00 -1.30 -0.45 0.00 0.00 0.00 0.00 46.02 44.27 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 -2.00 2.95 2.30 1.61 2.02 -1.26 -4.95 118.70 119.38 2bm2 s GLU 217 Ca 0.00 -1.46 0.00 0.00 0.02 0.00 0.00 54.97 53.53 2bm2 s GLU 217 Cb 0.00 -4.16 0.00 0.00 0.10 0.00 0.00 34.13 30.07 2bm2 s GLU 217 CO 0.00 -1.11 0.00 0.41 0.02 0.00 0.00 175.26 174.58 2bm2 n GLY 219 N 5.19 -0.46 2.90 -1.39 0.00 -1.26 -4.56 105.19 105.61 2bm2 n GLY 219 Ca -0.13 -1.07 -0.25 0.00 0.00 0.00 0.00 46.02 44.57 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 4.69 -1.65 -2.69 0.00 0.00 -1.26 -4.68 120.51 114.92 2bm2 n ALA 221 Ca -0.15 0.09 -0.33 0.00 0.00 0.00 0.00 53.44 53.05 2bm2 n ALA 221 Cb 0.50 -3.57 -0.05 0.00 0.00 0.00 0.00 19.45 16.33 2bm2 n ALA 221 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 2bm2 s GLN 221 N -6.13 3.64 0.23 0.00 -1.52 -1.26 -4.59 119.66 110.02 2bm2 s GLN 221 Ca 0.33 -0.03 -0.31 0.00 -1.95 0.00 0.00 55.36 53.40 2bm2 s GLN 221 Cb -0.15 -2.98 -0.14 0.00 -0.22 0.00 0.00 33.01 29.51 2bm2 s GLN 221 CO 0.78 0.56 1.19 -2.30 -0.25 0.00 0.00 175.29 175.28 2bm2 n PRO 222 N 0.69 1.49 -2.07 2.91 -0.02 -1.26 -1.25 135.00 135.49 2bm2 n PRO 222 Ca -0.07 0.53 -0.16 0.00 -2.02 0.00 0.00 63.50 61.78 2bm2 n PRO 222 Cb 0.52 -2.04 -0.03 0.00 -0.02 0.00 0.00 33.50 31.93 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 1.78 -4.51 -3.27 2.55 5.03 -1.26 -4.92 115.26 110.66 2bm2 n ASN 223 Ca 0.12 0.21 -0.24 0.00 0.87 0.00 0.00 54.58 55.54 2bm2 n ASN 223 Cb 0.29 -3.90 -0.08 0.00 -1.02 0.00 0.00 39.78 35.07 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 -2.58 0.39 -1.27 3.52 5.12 -0.38 -4.15 116.66 117.31 2bm2 n ARG 224 Ca -0.18 -3.08 -0.31 0.00 -1.93 0.00 0.00 57.85 52.35 2bm2 n ARG 224 Cb 0.60 -1.51 0.09 0.00 -1.16 0.00 0.00 32.46 30.48 2bm2 n ARG 224 CO 0.00 0.00 0.00 -2.14 -1.93 0.00 0.00 177.63 173.56 2bm2 s PRO 225 N -0.28 2.22 0.51 5.56 0.02 -1.26 -4.18 135.00 137.59 2bm2 s PRO 225 Ca 0.33 1.22 -0.22 0.00 0.02 0.00 0.00 61.00 62.35 2bm2 s PRO 225 Cb 0.09 -1.89 -0.06 0.00 0.02 0.00 0.00 34.50 32.66 2bm2 s PRO 225 CO -0.16 -1.67 1.31 0.20 -0.33 0.00 0.00 177.00 176.35 2bm2 s GLY 226 N -3.27 2.87 -0.10 0.52 0.00 -0.27 -4.78 107.32 102.29 2bm2 s GLY 226 Ca 0.62 1.24 0.02 0.00 0.00 0.00 0.00 44.72 46.61 2bm2 s GLY 226 CO 0.55 1.76 -0.18 -0.42 0.00 0.00 0.00 173.10 174.81 2bm2 s ILE 227 N -1.35 2.67 0.19 0.90 1.01 -0.23 -1.75 121.20 122.63 2bm2 s ILE 227 Ca 0.68 -0.82 0.09 0.00 0.00 0.00 0.00 60.65 60.60 2bm2 s ILE 227 Cb -0.38 -2.06 -0.04 0.00 0.01 0.00 0.00 42.46 39.99 2bm2 s ILE 227 CO 0.45 0.55 -0.17 -0.31 0.00 0.00 0.00 174.94 175.46 2bm2 s TYR 228 N 0.07 1.83 -0.08 3.97 1.51 0.14 -1.85 117.35 122.94 2bm2 s TYR 228 Ca -0.08 -0.49 -0.30 0.00 -1.01 0.00 0.00 57.07 55.20 2bm2 s TYR 228 Cb -0.15 -0.88 -0.02 0.00 -0.11 0.00 0.00 41.96 40.79 2bm2 s TYR 228 CO 0.05 0.38 1.10 0.99 -1.11 0.00 0.00 175.55 176.96 2bm2 s THR 229 N -2.36 4.53 -0.34 -0.71 2.01 -0.57 -0.28 115.64 117.92 2bm2 s THR 229 Ca 0.19 1.82 -0.28 0.00 0.31 0.00 0.00 61.69 63.73 2bm2 s THR 229 Cb -0.04 -4.17 -0.02 0.00 0.01 0.00 0.00 72.50 68.28 2bm2 s THR 229 CO 0.07 -0.00 1.79 -0.60 -0.69 0.00 0.00 174.62 175.19 2bm2 s ARG 230 N 2.12 3.33 0.10 4.92 3.52 -0.36 -2.23 118.95 130.35 2bm2 s ARG 230 Ca 0.52 1.40 -0.27 0.00 -0.13 0.00 0.00 55.73 57.25 2bm2 s ARG 230 Cb -0.21 -4.19 -0.11 0.00 -1.56 0.00 0.00 34.95 28.87 2bm2 s ARG 230 CO 0.20 -1.86 1.65 0.28 -0.81 0.00 0.00 175.30 174.76 2bm2 h VAL 231 N 6.80 0.51 -1.14 7.11 2.07 -1.63 -2.42 116.25 127.54 2bm2 h VAL 231 Ca -0.33 0.00 0.32 0.00 0.82 0.00 0.00 66.70 67.51 2bm2 h VAL 231 Cb 1.17 0.51 -0.09 0.00 -1.52 0.00 0.00 31.29 31.35 2bm2 h VAL 231 CO 1.04 0.00 0.75 0.71 0.02 0.00 0.00 177.57 180.09 2bm2 h THR 232 N -0.47 0.41 0.00 2.57 1.35 -1.88 0.60 112.91 115.49 2bm2 h THR 232 Ca 0.00 -0.09 -0.02 0.00 -0.55 0.00 0.00 66.41 65.76 2bm2 h THR 232 Cb 0.45 0.14 -0.00 0.00 -1.73 0.00 0.00 68.15 67.00 2bm2 h THR 232 CO -0.07 0.05 -0.09 0.22 -0.25 0.00 0.00 175.52 175.37 2bm2 h TYR 233 N 0.25 0.00 -0.16 4.73 5.03 -1.79 -3.13 116.97 121.90 2bm2 h TYR 233 Ca 0.64 0.00 0.00 0.00 2.58 0.00 0.00 58.73 61.95 2bm2 h TYR 233 Cb 1.90 0.00 0.00 0.00 1.55 0.00 0.00 36.73 40.18 2bm2 h TYR 233 CO -0.00 0.09 0.00 0.66 -1.32 0.00 0.00 178.16 177.59 2bm2 n TYR 234 N -3.64 0.50 -0.14 -3.82 4.01 0.21 -4.77 117.16 109.51 2bm2 n TYR 234 Ca -0.02 -0.85 -0.05 0.00 -0.16 0.00 0.00 57.90 56.82 2bm2 n TYR 234 Cb 0.21 -0.21 0.04 0.00 -0.31 0.00 0.00 39.34 39.07 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 1.07 0.21 -0.35 7.72 3.38 -1.45 -1.82 115.31 124.08 2bm2 h LEU 235 Ca 0.00 0.04 0.02 0.00 0.09 0.00 0.00 57.88 58.03 2bm2 h LEU 235 Cb 1.15 0.01 -0.02 0.00 0.09 0.00 0.00 40.66 41.89 2bm2 h LEU 235 CO 0.11 0.16 0.19 0.44 0.09 0.00 0.00 178.44 179.43 2bm2 h ASP 236 N 0.36 0.31 -0.66 -0.43 3.45 -1.86 -0.18 116.42 117.41 2bm2 h ASP 236 Ca 0.20 0.01 0.03 0.00 0.43 0.00 0.00 57.03 57.70 2bm2 h ASP 236 Cb 0.17 -0.06 -0.04 0.00 -0.56 0.00 0.00 39.33 38.84 2bm2 h ASP 236 CO -0.19 0.22 0.41 -0.25 -1.57 0.00 0.00 179.24 177.86 2bm2 h TRP 237 N 0.40 0.76 0.16 4.55 7.01 -1.85 -2.00 115.95 124.97 2bm2 h TRP 237 Ca 0.14 0.02 -0.01 0.00 2.11 0.00 0.00 58.89 61.15 2bm2 h TRP 237 Cb 0.02 -0.25 0.00 0.00 -2.10 0.00 0.00 29.16 26.83 2bm2 h TRP 237 CO -0.08 0.43 -0.08 0.82 -2.79 0.00 0.00 178.44 176.74 2bm2 h ILE 238 N 0.79 0.86 0.00 2.65 2.04 -0.86 -2.44 117.51 120.55 2bm2 h ILE 238 Ca 0.27 -0.07 0.00 0.00 1.00 0.00 0.00 64.86 66.06 2bm2 h ILE 238 Cb 0.04 0.90 0.00 0.00 -0.74 0.00 0.00 36.82 37.02 2bm2 h ILE 238 CO -0.12 0.02 0.00 1.41 0.00 0.00 0.00 178.15 179.46 2bm2 n HIS 239 N -5.17 0.00 0.22 1.37 8.25 -0.12 -0.60 115.22 119.17 2bm2 n HIS 239 Ca -0.09 0.00 0.11 0.00 -0.26 0.00 0.00 57.72 57.49 2bm2 n HIS 239 Cb 0.12 -0.37 0.34 0.00 1.12 0.00 0.00 29.99 31.21 2bm2 n HIS 239 CO 0.00 0.00 0.00 1.25 0.64 0.00 0.00 176.34 178.23 2bm2 h HIS 240 N 0.00 0.00 0.00 4.41 6.17 -0.85 -3.34 115.15 121.54 2bm2 h HIS 240 Ca 0.00 0.00 -0.23 0.00 0.71 0.00 0.00 60.37 60.85 2bm2 h HIS 240 Cb 0.15 0.00 -0.04 0.00 2.52 0.00 0.00 27.41 30.04 2bm2 h HIS 240 CO 0.00 0.14 -1.85 0.66 0.71 0.00 0.00 177.93 177.60 2bm2 n TYR 241 N -3.19 0.00 -3.40 5.26 4.01 -0.22 -4.99 117.16 114.62 2bm2 n TYR 241 Ca 0.02 0.00 -0.39 0.00 -0.16 0.00 0.00 57.90 57.37 2bm2 n TYR 241 Cb 0.48 -0.57 -0.09 0.00 -0.31 0.00 0.00 39.34 38.86 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 -2.29 5.18 0.55 -0.72 1.01 0.23 -5.05 120.40 119.31 2bm2 s VAL 242 Ca -0.20 0.47 -0.20 0.00 0.00 0.00 0.00 61.98 62.05 2bm2 s VAL 242 Cb 0.06 -3.71 -0.07 0.00 0.00 0.00 0.00 36.38 32.66 2bm2 s VAL 242 CO 0.33 0.13 0.92 -2.65 0.00 0.00 0.00 175.10 173.82 2bm2 n PRO 243 N 5.33 0.97 0.00 2.72 -0.02 -1.26 -4.43 135.00 138.30 2bm2 n PRO 243 Ca -0.09 0.37 0.00 0.00 -2.02 0.00 0.00 63.50 61.76 2bm2 n PRO 243 Cb 0.51 -2.08 0.00 0.00 -0.02 0.00 0.00 33.50 31.91 2bm2 n PRO 243 CO 0.00 0.00 0.00 1.17 1.98 0.00 0.00 175.50 178.65