#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2b4b s LYS 3 N 0.00 4.39 0.10 0.00 2.36 -1.26 -5.03 119.74 120.29 2b4b s LYS 3 Ca 0.00 1.63 -0.15 0.00 -2.55 0.00 0.00 55.97 54.90 2b4b s LYS 3 Cb 0.00 -2.84 0.03 0.00 -1.05 0.00 0.00 37.83 33.97 2b4b s LYS 3 CO 0.00 0.03 0.35 -0.59 1.55 0.00 0.00 175.35 176.69 2b4b s PHE 4 N -1.43 -0.14 0.04 4.03 -0.12 -1.26 -4.03 117.98 115.07 2b4b s PHE 4 Ca 0.52 -0.13 0.04 0.00 -0.05 0.00 0.00 56.93 57.31 2b4b s PHE 4 Cb -0.26 0.18 -0.02 0.00 -0.63 0.00 0.00 43.02 42.28 2b4b s PHE 4 CO 0.33 -0.63 -0.12 0.14 -0.05 0.00 0.00 175.22 174.89 2b4b s VAL 5 N -3.45 0.97 -0.17 -2.49 -7.23 -0.07 -4.95 120.40 103.01 2b4b s VAL 5 Ca 0.01 -1.01 -0.06 0.00 -1.81 0.00 0.00 61.98 59.11 2b4b s VAL 5 Cb 0.02 -0.90 -0.03 0.00 0.56 0.00 0.00 36.38 36.02 2b4b s VAL 5 CO -0.09 -0.09 0.02 -0.63 -0.31 0.00 0.00 175.10 173.99 2b4b s ILE 6 N -0.96 4.38 0.22 -0.62 -1.09 -1.26 -0.44 121.20 121.43 2b4b s ILE 6 Ca -0.01 -0.18 -0.12 0.00 -2.23 0.00 0.00 60.65 58.11 2b4b s ILE 6 Cb -0.08 -2.96 -0.00 0.00 -1.58 0.00 0.00 42.46 37.84 2b4b s ILE 6 CO 0.01 0.47 0.42 0.00 -1.23 0.00 0.00 174.94 174.61 2b4b s ARG 7 N 0.42 1.41 0.41 2.79 1.70 -0.18 -4.97 118.95 120.54 2b4b s ARG 7 Ca 0.00 -1.21 -0.24 0.00 -0.47 0.00 0.00 55.73 53.81 2b4b s ARG 7 Cb -0.13 0.44 -0.09 0.00 -0.57 0.00 0.00 34.95 34.60 2b4b s ARG 7 CO 0.02 -0.57 1.07 -2.14 -1.08 0.00 0.00 175.30 172.59 2b4b s PRO 8 N -4.00 4.11 0.34 3.89 0.02 -1.26 -0.07 135.00 138.03 2b4b s PRO 8 Ca 0.21 1.56 -0.26 0.00 0.02 0.00 0.00 61.00 62.52 2b4b s PRO 8 Cb 0.01 -2.53 -0.09 0.00 0.02 0.00 0.00 34.50 31.90 2b4b s PRO 8 CO 0.06 -0.19 1.03 0.00 -0.33 0.00 0.00 177.00 177.56 2b4b s ALA 9 N -1.63 3.22 0.36 -1.55 0.00 0.11 -4.76 121.76 117.51 2b4b s ALA 9 Ca 0.58 0.71 0.08 0.00 0.00 0.00 0.00 51.96 53.34 2b4b s ALA 9 Cb -0.23 -3.26 -0.05 0.00 0.00 0.00 0.00 23.12 19.57 2b4b s ALA 9 CO 0.29 -0.08 0.06 0.95 0.00 0.00 0.00 175.76 176.98 2b4b s THR 10 N -1.47 2.57 0.33 0.00 -4.23 -1.26 -4.89 115.64 106.68 2b4b s THR 10 Ca 0.51 -1.89 0.11 0.00 -1.18 0.00 0.00 61.69 59.24 2b4b s THR 10 Cb -0.24 -2.87 0.33 0.00 1.34 0.00 0.00 72.50 71.06 2b4b s THR 10 CO 0.31 -0.15 1.64 0.00 -0.54 0.00 0.00 174.62 175.88 2b4b h ALA 11 N 1.70 1.72 0.00 3.99 0.00 -1.97 0.77 119.26 125.47 2b4b h ALA 11 Ca -0.43 0.22 0.00 0.00 0.00 0.00 0.00 54.91 54.70 2b4b h ALA 11 Cb 1.25 0.25 0.00 0.00 0.00 0.00 0.00 17.79 19.29 2b4b h ALA 11 CO 0.68 -0.58 0.15 0.00 0.00 0.00 0.00 179.25 179.49 2b4b h ALA 12 N 1.86 1.15 -0.21 0.00 0.00 -2.02 -2.77 119.26 117.26 2b4b h ALA 12 Ca 0.68 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.59 2b4b h ALA 12 Cb 1.54 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.33 2b4b h ALA 12 CO -0.66 -0.15 0.00 -0.25 0.00 0.00 0.00 179.25 178.19 2b4b n ASP 13 N -2.97 2.63 -0.35 0.00 8.00 0.27 -4.65 116.55 119.47 2b4b n ASP 13 Ca -0.03 -1.86 0.07 0.00 0.71 0.00 0.00 54.79 53.69 2b4b n ASP 13 Cb 0.21 -0.13 0.23 0.00 -0.02 0.00 0.00 41.12 41.41 2b4b n ASP 13 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2b4b h SER 15 N 0.95 0.12 0.58 0.00 4.64 -1.87 -0.86 113.55 117.12 2b4b h SER 15 Ca 0.49 -0.02 -0.22 0.00 -0.47 0.00 0.00 61.79 61.58 2b4b h SER 15 Cb 0.50 -0.03 -0.01 0.00 -0.31 0.00 0.00 62.40 62.55 2b4b h SER 15 CO -0.27 0.23 -0.96 0.44 -0.87 0.00 0.00 176.83 175.39 2b4b h ASP 16 N 0.13 0.31 0.10 4.97 5.19 -1.51 -1.25 116.42 124.36 2b4b h ASP 16 Ca 0.03 -0.27 -0.00 0.00 -0.62 0.00 0.00 57.03 56.16 2b4b h ASP 16 Cb 0.24 -0.10 0.00 0.00 0.18 0.00 0.00 39.33 39.65 2b4b h ASP 16 CO 0.01 1.11 -0.05 0.40 -3.12 0.00 0.00 179.24 177.59 2b4b h ILE 17 N 0.11 1.00 -0.78 0.35 2.04 -0.49 0.01 117.51 119.75 2b4b h ILE 17 Ca -0.06 -0.34 0.03 0.00 1.00 0.00 0.00 64.86 65.49 2b4b h ILE 17 Cb 1.62 1.22 -0.05 0.00 -0.74 0.00 0.00 36.82 38.87 2b4b h ILE 17 CO 0.15 0.08 0.49 0.25 0.00 0.00 0.00 178.15 179.13 2b4b h LEU 18 N -0.28 0.81 -0.51 1.44 5.85 -1.21 0.16 115.31 121.58 2b4b h LEU 18 Ca -0.01 -0.00 0.06 0.00 0.84 0.00 0.00 57.88 58.76 2b4b h LEU 18 Cb 0.24 -0.18 -0.05 0.00 0.37 0.00 0.00 40.66 41.04 2b4b h LEU 18 CO 0.02 0.56 0.22 -0.09 -0.34 0.00 0.00 178.44 178.81 2b4b h ARG 19 N 0.96 0.42 -0.10 1.25 2.43 -0.91 0.13 114.38 118.56 2b4b h ARG 19 Ca 0.31 -0.03 -0.16 0.00 -0.81 0.00 0.00 59.98 59.30 2b4b h ARG 19 Cb 0.02 -0.10 -0.01 0.00 -0.42 0.00 0.00 29.97 29.47 2b4b h ARG 19 CO -0.12 0.28 -0.61 -0.07 -1.51 0.00 0.00 179.97 177.94 2b4b h LEU 20 N 0.43 0.40 -0.50 3.80 3.38 -0.27 -0.35 115.31 122.21 2b4b h LEU 20 Ca 0.23 -0.23 0.01 0.00 0.09 0.00 0.00 57.88 57.99 2b4b h LEU 20 Cb 0.20 -0.11 -0.03 0.00 0.09 0.00 0.00 40.66 40.80 2b4b h LEU 20 CO -0.20 0.91 0.31 0.40 0.09 0.00 0.00 178.44 179.96 2b4b h ILE 21 N 0.26 1.09 -0.46 1.22 2.04 -0.04 0.85 117.51 122.47 2b4b h ILE 21 Ca -0.01 -0.22 -0.09 0.00 1.00 0.00 0.00 64.86 65.55 2b4b h ILE 21 Cb 1.14 0.40 -0.02 0.00 -0.74 0.00 0.00 36.82 37.60 2b4b h ILE 21 CO 0.10 0.12 -0.07 0.11 0.00 0.00 0.00 178.15 178.40 2b4b h LYS 22 N 0.63 0.81 -0.79 2.37 1.57 -0.67 0.42 116.57 120.91 2b4b h LYS 22 Ca 0.19 -0.25 -0.04 0.00 -1.87 0.00 0.00 60.65 58.68 2b4b h LYS 22 Cb -0.03 -0.07 -0.04 0.00 0.08 0.00 0.00 32.23 32.17 2b4b h LYS 22 CO -0.07 0.86 0.33 0.93 -0.57 0.00 0.00 179.45 180.94 2b4b h GLU 23 N 0.74 1.17 -0.54 3.15 5.08 -0.34 1.32 114.58 125.17 2b4b h GLU 23 Ca 0.13 -0.20 -0.10 0.00 -1.00 0.00 0.00 59.36 58.19 2b4b h GLU 23 Cb 0.55 -0.20 -0.02 0.00 0.50 0.00 0.00 28.75 29.59 2b4b h GLU 23 CO 0.03 0.93 -0.06 1.25 -1.00 0.00 0.00 179.01 180.16 2b4b h LEU 24 N 1.14 0.95 -0.15 1.33 5.85 -0.14 0.30 115.31 124.60 2b4b h LEU 24 Ca 0.27 -0.29 -0.07 0.00 0.84 0.00 0.00 57.88 58.63 2b4b h LEU 24 Cb 0.19 -0.26 -0.00 0.00 0.37 0.00 0.00 40.66 40.96 2b4b h LEU 24 CO -0.03 1.04 -0.18 0.00 -0.34 0.00 0.00 178.44 178.94 2b4b h ALA 25 N 1.05 0.22 -0.72 1.25 0.00 -0.29 -2.54 119.26 118.23 2b4b h ALA 25 Ca 0.15 -0.34 0.04 0.00 0.00 0.00 0.00 54.91 54.75 2b4b h ALA 25 Cb 0.59 -0.04 -0.04 0.00 0.00 0.00 0.00 17.79 18.30 2b4b h ALA 25 CO 0.04 0.13 0.47 -0.09 0.00 0.00 0.00 179.25 179.80 2b4b h ARG 26 N 0.00 0.82 0.00 0.00 2.43 0.19 0.33 114.38 118.15 2b4b h ARG 26 Ca 0.02 -0.05 0.00 0.00 -0.81 0.00 0.00 59.98 59.14 2b4b h ARG 26 Cb 0.73 -0.18 0.00 0.00 -0.42 0.00 0.00 29.97 30.09 2b4b h ARG 26 CO 0.04 0.54 0.00 0.98 -1.51 0.00 0.00 179.97 180.02 2b4b n TYR 27 N -4.46 0.54 -1.53 2.20 9.36 0.10 -1.90 117.16 121.47 2b4b n TYR 27 Ca 0.09 0.21 0.07 0.00 3.32 0.00 0.00 57.90 61.59 2b4b n TYR 27 Cb 0.15 -0.84 0.13 0.00 -0.63 0.00 0.00 39.34 38.15 2b4b n TYR 27 CO 0.00 0.00 0.00 0.39 0.22 0.00 0.00 176.86 177.47 2b4b n GLU 28 N -1.99 1.04 -3.34 2.98 1.02 0.82 -5.06 120.64 116.11 2b4b n GLU 28 Ca 0.03 -2.50 -0.30 0.00 -0.02 0.00 0.00 57.16 54.37 2b4b n GLU 28 Cb 0.22 -1.22 0.03 0.00 -0.02 0.00 0.00 31.44 30.45 2b4b n GLU 28 CO 0.00 0.00 0.00 2.48 1.18 0.00 0.00 177.13 180.79 2b4b n TYR 29 N -0.91 -2.66 0.00 -0.32 0.18 0.65 -4.98 117.16 109.11 2b4b n TYR 29 Ca 0.13 1.11 0.00 0.00 1.88 0.00 0.00 57.90 61.02 2b4b n TYR 29 Cb 0.72 -2.19 0.00 0.00 -0.38 0.00 0.00 39.34 37.49 2b4b n TYR 29 CO 0.00 0.00 0.00 -1.91 -2.08 0.00 0.00 176.86 172.87 2b4b n GLU 31 N -0.06 0.00 0.24 -3.48 2.13 -1.22 -4.96 120.64 113.28 2b4b n GLU 31 Ca -0.04 0.00 0.12 0.00 0.66 0.00 0.00 57.16 57.91 2b4b n GLU 31 Cb 0.61 0.00 0.45 0.00 0.27 0.00 0.00 31.44 32.78 2b4b n GLU 31 CO 0.00 0.00 0.00 1.05 -0.41 0.00 0.00 177.13 177.77 2b4b h GLU 32 N 0.00 0.00 0.00 5.31 9.09 -1.97 -3.00 114.58 124.01 2b4b h GLU 32 Ca 0.00 0.00 -0.08 0.00 0.05 0.00 0.00 59.36 59.33 2b4b h GLU 32 Cb 0.00 0.00 -0.01 0.00 -1.65 0.00 0.00 28.75 27.09 2b4b h GLU 32 CO 0.00 0.12 -0.40 1.96 0.05 0.00 0.00 179.01 180.74 2b4b h GLN 33 N 0.00 0.00 -5.87 1.06 1.08 -1.99 -3.42 115.11 105.96 2b4b h GLN 33 Ca -0.00 0.00 -0.49 0.00 -1.45 0.00 0.00 58.65 56.71 2b4b h GLN 33 Cb 0.76 0.00 -0.02 0.00 -0.05 0.00 0.00 27.48 28.17 2b4b h GLN 33 CO 0.02 0.40 1.45 0.08 -0.95 0.00 0.00 178.83 179.83 2b4b s VAL 34 N -3.51 3.23 -0.15 -0.54 1.01 -1.14 -4.73 120.40 114.58 2b4b s VAL 34 Ca 0.01 0.15 0.18 0.00 0.00 0.00 0.00 61.98 62.32 2b4b s VAL 34 Cb 0.10 -3.57 -0.12 0.00 0.00 0.00 0.00 36.38 32.80 2b4b s VAL 34 CO 0.70 -0.54 0.83 -0.38 0.00 0.00 0.00 175.10 175.71 2b4b n ILE 35 N 7.51 1.00 -1.61 2.22 5.41 -1.26 -4.95 119.36 127.69 2b4b n ILE 35 Ca 0.26 -0.65 -0.42 0.00 1.00 0.00 0.00 62.75 62.94 2b4b n ILE 35 Cb 0.52 -0.60 0.00 0.00 -0.71 0.00 0.00 39.64 38.86 2b4b n ILE 35 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 176.55 176.44 2b4b n LEU 36 N -2.80 2.41 -4.60 1.39 7.94 -1.26 -5.02 117.00 115.06 2b4b n LEU 36 Ca -0.08 1.08 -0.27 0.00 -1.11 0.00 0.00 56.01 55.63 2b4b n LEU 36 Cb 0.77 -1.34 -0.11 0.00 0.53 0.00 0.00 43.42 43.27 2b4b n LEU 36 CO 0.42 -1.41 -0.32 0.42 -1.11 0.00 0.00 177.39 175.39 2b4b s THR 37 N -1.21 2.11 0.26 1.96 -4.23 -1.26 -5.03 115.64 108.24 2b4b s THR 37 Ca 0.61 -2.06 -0.05 0.00 -1.18 0.00 0.00 61.69 59.02 2b4b s THR 37 Cb -0.59 -2.88 0.21 0.00 1.34 0.00 0.00 72.50 70.57 2b4b s THR 37 CO 0.58 -0.07 1.87 -0.33 -0.54 0.00 0.00 174.62 176.13 2b4b h GLU 38 N 1.84 1.12 -0.50 3.99 5.08 -1.95 -2.44 114.58 121.72 2b4b h GLU 38 Ca -0.43 -0.14 0.08 0.00 -1.00 0.00 0.00 59.36 57.86 2b4b h GLU 38 Cb 1.24 -0.22 -0.06 0.00 0.50 0.00 0.00 28.75 30.21 2b4b h GLU 38 CO 0.77 0.84 0.15 -0.22 -1.00 0.00 0.00 179.01 179.54 2b4b h LYS 39 N 1.12 0.29 0.39 2.33 3.64 -1.97 -0.34 116.57 122.03 2b4b h LYS 39 Ca 0.28 -0.02 -0.02 0.00 -1.27 0.00 0.00 60.65 59.62 2b4b h LYS 39 Cb 0.06 -0.07 0.00 0.00 -0.41 0.00 0.00 32.23 31.82 2b4b h LYS 39 CO -0.04 0.19 -0.19 -0.44 -2.27 0.00 0.00 179.45 176.71 2b4b h ASP 40 N 0.30 -0.44 -0.96 4.20 3.32 -1.86 -0.69 116.42 120.30 2b4b h ASP 40 Ca 0.25 -0.03 0.18 0.00 0.02 0.00 0.00 57.03 57.45 2b4b h ASP 40 Cb 0.30 0.11 -0.10 0.00 0.22 0.00 0.00 39.33 39.86 2b4b h ASP 40 CO -0.28 -0.25 0.55 -0.07 -1.72 0.00 0.00 179.24 177.46 2b4b h LEU 41 N -0.60 0.69 0.18 1.55 3.38 -1.17 0.53 115.31 119.88 2b4b h LEU 41 Ca -0.05 0.10 -0.01 0.00 0.09 0.00 0.00 57.88 58.01 2b4b h LEU 41 Cb 0.44 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 41.18 2b4b h LEU 41 CO 0.09 0.25 -0.09 0.25 0.09 0.00 0.00 178.44 179.03 2b4b h LEU 42 N 0.71 -0.20 -0.52 1.67 5.85 -0.71 -1.62 115.31 120.49 2b4b h LEU 42 Ca 0.55 -0.23 -0.12 0.00 0.84 0.00 0.00 57.88 58.92 2b4b h LEU 42 Cb 0.84 0.05 -0.02 0.00 0.37 0.00 0.00 40.66 41.90 2b4b h LEU 42 CO -0.39 0.14 -0.14 -0.33 -0.34 0.00 0.00 178.44 177.38 2b4b h GLU 43 N -0.56 1.01 0.00 1.25 5.08 -0.42 -2.58 114.58 118.35 2b4b h GLU 43 Ca -0.02 -0.39 -0.07 0.00 -1.00 0.00 0.00 59.36 57.88 2b4b h GLU 43 Cb 0.42 -0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.61 2b4b h GLU 43 CO 0.04 1.07 -0.32 -0.44 -1.00 0.00 0.00 179.01 178.36 2b4b h ASP 44 N 0.87 0.00 -0.00 1.42 3.32 -0.01 -3.28 116.42 118.74 2b4b h ASP 44 Ca 0.13 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.18 2b4b h ASP 44 Cb 0.71 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.26 2b4b h ASP 44 CO 0.05 0.32 -0.24 0.61 -1.72 0.00 0.00 179.24 178.26 2b4b n GLY 45 N 0.52 0.07 0.08 2.75 0.00 -0.61 0.03 105.19 108.03 2b4b n GLY 45 Ca 0.01 -0.21 0.01 0.00 0.00 0.00 0.00 46.02 45.83 2b4b n GLY 45 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 2b4b n PHE 46 N -0.74 0.00 -0.40 1.61 3.01 -0.97 -4.72 117.46 115.24 2b4b n PHE 46 Ca 0.02 -0.29 0.00 0.00 1.01 0.00 0.00 57.45 58.19 2b4b n PHE 46 Cb 0.13 -0.04 0.00 0.00 -0.01 0.00 0.00 39.48 39.56 2b4b n PHE 46 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 2b4b n GLY 47 N -0.35 0.50 0.38 1.37 0.00 -1.24 -4.98 105.19 100.87 2b4b n GLY 47 Ca 0.02 -1.67 -0.18 0.00 0.00 0.00 0.00 46.02 44.19 2b4b n GLY 47 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 2b4b h GLU 48 N 0.00 -0.90 -4.35 1.61 4.57 -1.97 -3.38 114.58 110.16 2b4b h GLU 48 Ca 0.00 0.06 -0.72 0.00 -1.18 0.00 0.00 59.36 57.52 2b4b h GLU 48 Cb 0.00 0.20 -0.30 0.00 -0.16 0.00 0.00 28.75 28.50 2b4b h GLU 48 CO 0.00 -0.59 -0.43 -1.58 -1.18 0.00 0.00 179.01 175.23 2b4b s HIS 49 N -5.97 3.43 0.19 0.92 2.46 -1.26 -5.07 115.29 109.98 2b4b s HIS 49 Ca -0.18 -1.88 -0.30 0.00 0.47 0.00 0.00 55.06 53.18 2b4b s HIS 49 Cb 0.03 -3.35 -0.08 0.00 -0.13 0.00 0.00 32.58 29.05 2b4b s HIS 49 CO 0.61 -0.96 1.24 -2.14 -2.47 0.00 0.00 174.74 171.01 2b4b s PRO 50 N 1.35 4.45 0.00 2.88 0.02 -1.26 -4.84 135.00 137.60 2b4b s PRO 50 Ca 0.05 1.94 0.24 0.00 0.02 0.00 0.00 61.00 63.25 2b4b s PRO 50 Cb -0.25 -3.22 0.25 0.00 0.02 0.00 0.00 34.50 31.29 2b4b s PRO 50 CO -0.01 -0.15 1.23 1.19 -0.33 0.00 0.00 177.00 178.94 2b4b n PHE 51 N 2.55 0.00 -3.73 6.54 3.72 0.10 -4.93 117.46 121.72 2b4b n PHE 51 Ca 0.05 0.00 -0.10 0.00 -0.05 0.00 0.00 57.45 57.35 2b4b n PHE 51 Cb 0.44 -0.14 -0.05 0.00 -0.94 0.00 0.00 39.48 38.79 2b4b n PHE 51 CO 0.00 0.00 0.00 1.52 -0.05 0.00 0.00 176.76 178.23 2b4b s TYR 52 N -2.94 -0.06 0.16 1.38 -0.85 -1.26 -4.84 117.35 108.94 2b4b s TYR 52 Ca 0.11 -0.28 0.08 0.00 -0.52 0.00 0.00 57.07 56.46 2b4b s TYR 52 Cb 0.17 0.21 -0.04 0.00 0.38 0.00 0.00 41.96 42.68 2b4b s TYR 52 CO 0.74 -0.73 -0.17 -1.01 -1.52 0.00 0.00 175.55 172.86 2b4b s HIS 53 N -3.85 1.71 -0.15 -3.49 3.76 0.44 -4.78 115.29 108.93 2b4b s HIS 53 Ca 0.07 -0.50 -0.08 0.00 -0.15 0.00 0.00 55.06 54.40 2b4b s HIS 53 Cb 0.02 -0.86 0.06 0.00 1.11 0.00 0.00 32.58 32.91 2b4b s HIS 53 CO -0.08 0.29 0.36 0.00 -0.85 0.00 0.00 174.74 174.46 2b4b s LEU 55 N 1.49 4.10 0.22 0.00 1.43 -0.66 -0.71 118.68 124.55 2b4b s LEU 55 Ca -0.09 0.32 0.11 0.00 -1.03 0.00 0.00 54.13 53.44 2b4b s LEU 55 Cb -0.09 -2.00 -0.05 0.00 0.03 0.00 0.00 46.19 44.09 2b4b s LEU 55 CO -0.11 0.35 -0.20 0.68 0.23 0.00 0.00 176.35 177.30 2b4b s VAL 56 N -0.69 2.21 -0.23 -1.59 -7.23 0.90 -1.49 120.40 112.28 2b4b s VAL 56 Ca 0.12 -2.18 -0.06 0.00 -1.81 0.00 0.00 61.98 58.06 2b4b s VAL 56 Cb -0.12 -2.12 -0.02 0.00 0.56 0.00 0.00 36.38 34.68 2b4b s VAL 56 CO 0.03 -0.33 0.02 0.00 -0.31 0.00 0.00 175.10 174.50 2b4b s ALA 57 N -2.25 2.99 0.01 1.32 0.00 -0.86 -1.01 121.76 121.97 2b4b s ALA 57 Ca 0.24 -1.14 0.05 0.00 0.00 0.00 0.00 51.96 51.10 2b4b s ALA 57 Cb -0.05 -1.90 -0.03 0.00 0.00 0.00 0.00 23.12 21.14 2b4b s ALA 57 CO 0.11 -0.45 -0.11 -2.00 0.00 0.00 0.00 175.76 173.31 2b4b s GLU 58 N 1.54 2.39 0.25 0.00 2.12 0.42 -2.03 118.70 123.39 2b4b s GLU 58 Ca 0.06 -0.81 0.11 0.00 0.36 0.00 0.00 54.97 54.69 2b4b s GLU 58 Cb -0.15 -2.39 -0.05 0.00 0.26 0.00 0.00 34.13 31.80 2b4b s GLU 58 CO 0.00 0.58 -0.19 0.14 -0.54 0.00 0.00 175.26 175.26 2b4b s VAL 59 N -0.96 2.28 0.92 3.70 -7.23 0.12 -0.89 120.40 118.34 2b4b s VAL 59 Ca 0.16 -2.33 -0.11 0.00 -1.81 0.00 0.00 61.98 57.89 2b4b s VAL 59 Cb -0.11 -2.22 0.14 0.00 0.56 0.00 0.00 36.38 34.76 2b4b s VAL 59 CO 0.07 -0.43 1.09 -2.16 -0.31 0.00 0.00 175.10 173.36 2b4b s PRO 60 N -3.47 1.08 0.47 4.82 0.04 -1.26 -4.77 135.00 131.92 2b4b s PRO 60 Ca 0.27 1.00 0.20 0.00 0.04 0.00 0.00 61.00 62.51 2b4b s PRO 60 Cb -0.04 -1.77 1.19 0.00 0.04 0.00 0.00 34.50 33.91 2b4b s PRO 60 CO 0.13 -2.41 1.94 -0.22 0.04 0.00 0.00 177.00 176.47 2b4b h LYS 61 N -1.68 0.25 0.00 4.56 3.11 -1.98 -0.13 116.57 120.69 2b4b h LYS 61 Ca -0.49 -0.01 0.00 0.00 -2.81 0.00 0.00 60.65 57.34 2b4b h LYS 61 Cb 1.28 -0.06 0.00 0.00 -1.00 0.00 0.00 32.23 32.45 2b4b h LYS 61 CO 0.51 0.16 0.00 -0.85 -2.81 0.00 0.00 179.45 176.47 2b4b n GLU 62 N -4.43 0.18 -0.17 1.90 0.00 -1.26 -2.92 120.64 113.94 2b4b n GLU 62 Ca 0.13 0.34 0.07 0.00 0.00 0.00 0.00 57.16 57.70 2b4b n GLU 62 Cb 0.58 -1.80 0.14 0.00 0.00 0.00 0.00 31.44 30.36 2b4b n GLU 62 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.13 177.85 2b4b n HIS 63 N -2.14 0.31 -0.73 -1.84 8.25 -0.07 -5.04 115.22 113.95 2b4b n HIS 63 Ca 0.03 -0.80 -0.32 0.00 -0.26 0.00 0.00 57.72 56.37 2b4b n HIS 63 Cb 0.27 -0.16 0.15 0.00 1.12 0.00 0.00 29.99 31.37 2b4b n HIS 63 CO 0.00 0.00 0.00 0.91 0.64 0.00 0.00 176.34 177.89 2b4b n TRP 64 N -0.74 -0.50 -1.63 4.41 7.02 -1.13 -4.90 117.44 119.97 2b4b n TRP 64 Ca 0.13 0.29 -0.31 0.00 -1.02 0.00 0.00 57.50 56.59 2b4b n TRP 64 Cb 0.60 -1.86 0.05 0.00 -2.42 0.00 0.00 31.31 27.67 2b4b n TRP 64 CO 0.00 0.00 0.00 0.95 -2.02 0.00 0.00 177.69 176.62 2b4b s THR 65 N -2.49 3.83 0.55 -0.99 -4.23 -0.35 -4.76 115.64 107.19 2b4b s THR 65 Ca 0.61 0.66 0.33 0.00 -1.18 0.00 0.00 61.69 62.12 2b4b s THR 65 Cb -0.22 -3.30 0.49 0.00 1.34 0.00 0.00 72.50 70.82 2b4b s THR 65 CO 0.63 -0.71 1.83 1.55 -0.54 0.00 0.00 174.62 177.39 2b4b h PRO 66 N -0.50 0.00 -0.08 3.99 0.13 -1.93 2.09 132.00 135.70 2b4b h PRO 66 Ca -0.45 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.68 2b4b h PRO 66 Cb 1.22 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.35 2b4b h PRO 66 CO 0.56 0.00 0.00 -0.85 -0.23 0.00 0.00 178.00 177.48 2b4b n GLU 67 N -4.09 1.31 -2.41 0.86 0.00 -1.26 -4.90 120.64 110.15 2b4b n GLU 67 Ca 0.20 -0.48 -0.05 0.00 0.00 0.00 0.00 57.16 56.83 2b4b n GLU 67 Cb 1.06 -1.29 0.03 0.00 0.00 0.00 0.00 31.44 31.24 2b4b n GLU 67 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 2b4b n GLY 68 N 0.90 0.21 3.40 -1.84 0.00 0.71 -5.06 105.19 103.49 2b4b n GLY 68 Ca 0.13 -0.30 -0.32 0.00 0.00 0.00 0.00 46.02 45.53 2b4b n GLY 68 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2b4b s HIS 69 N -3.11 2.58 -2.72 1.61 3.76 -1.22 -4.78 115.29 111.42 2b4b s HIS 69 Ca 0.00 -0.35 0.26 0.00 -0.15 0.00 0.00 55.06 54.82 2b4b s HIS 69 Cb -0.00 -1.61 0.60 0.00 1.11 0.00 0.00 32.58 32.67 2b4b s HIS 69 CO 0.22 0.04 1.49 -1.13 -0.85 0.00 0.00 174.74 174.50 2b4b n SER 70 N 2.54 2.24 -4.28 1.40 3.41 -1.26 -1.22 113.62 116.45 2b4b n SER 70 Ca -0.17 -1.74 -0.34 0.00 -0.26 0.00 0.00 58.87 56.37 2b4b n SER 70 Cb 0.52 0.01 -0.15 0.00 -0.26 0.00 0.00 64.21 64.34 2b4b n SER 70 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 2b4b s ILE 71 N -2.02 2.95 -0.13 -1.33 1.01 -1.26 0.16 121.20 120.58 2b4b s ILE 71 Ca 0.32 -0.65 0.01 0.00 0.00 0.00 0.00 60.65 60.33 2b4b s ILE 71 Cb 0.20 -2.29 0.01 0.00 0.01 0.00 0.00 42.46 40.39 2b4b s ILE 71 CO 0.33 0.48 0.52 1.33 0.00 0.00 0.00 174.94 177.60 2b4b n VAL 72 N 4.36 0.00 -3.66 2.92 0.24 -0.86 -5.02 118.33 116.31 2b4b n VAL 72 Ca -0.19 -0.50 -0.07 0.00 -2.04 0.00 0.00 64.34 61.54 2b4b n VAL 72 Cb 0.51 1.02 -0.02 0.00 -1.47 0.00 0.00 33.84 33.89 2b4b n VAL 72 CO 0.00 0.00 0.00 -0.83 -2.14 0.00 0.00 176.83 173.86 2b4b s GLY 73 N -0.11 -0.32 0.13 7.63 0.00 -1.26 -4.39 107.32 109.01 2b4b s GLY 73 Ca 0.01 0.26 -0.26 0.00 0.00 0.00 0.00 44.72 44.73 2b4b s GLY 73 CO 0.01 0.08 0.94 -0.11 0.00 0.00 0.00 173.10 174.02 2b4b s PHE 74 N -3.53 -0.17 0.11 1.90 -0.71 0.18 -2.03 117.98 113.72 2b4b s PHE 74 Ca 0.08 -0.11 0.02 0.00 -1.04 0.00 0.00 56.93 55.88 2b4b s PHE 74 Cb -0.03 0.62 -0.01 0.00 -1.21 0.00 0.00 43.02 42.40 2b4b s PHE 74 CO -0.02 -0.79 0.11 0.00 -1.34 0.00 0.00 175.22 173.18 2b4b n ALA 75 N -0.43 0.14 0.00 1.99 0.00 -0.56 -0.79 120.51 120.85 2b4b n ALA 75 Ca -0.07 -0.58 0.00 0.00 0.00 0.00 0.00 53.44 52.79 2b4b n ALA 75 Cb 0.61 0.47 0.00 0.00 0.00 0.00 0.00 19.45 20.53 2b4b n ALA 75 CO 0.00 0.00 0.00 2.48 0.00 0.00 0.00 177.50 179.98 2b4b n TYR 77 N -0.19 0.00 -3.85 0.00 0.18 0.94 -1.65 117.16 112.58 2b4b n TYR 77 Ca 0.02 0.00 -0.07 0.00 1.88 0.00 0.00 57.90 59.73 2b4b n TYR 77 Cb 0.19 0.00 -0.01 0.00 -0.38 0.00 0.00 39.34 39.13 2b4b n TYR 77 CO 0.00 0.00 0.00 1.52 -2.08 0.00 0.00 176.86 176.30 2b4b s TYR 78 N -1.94 -0.15 -0.08 -3.48 -0.85 -0.80 0.17 117.35 110.21 2b4b s TYR 78 Ca 0.00 -0.33 -0.03 0.00 -0.52 0.00 0.00 57.07 56.19 2b4b s TYR 78 Cb 0.00 0.72 -0.04 0.00 0.38 0.00 0.00 41.96 43.03 2b4b s TYR 78 CO 0.00 -1.27 0.06 -0.06 -1.52 0.00 0.00 175.55 172.76 2b4b s PHE 79 N -3.72 3.31 0.32 -3.49 0.08 -1.26 -0.04 117.98 113.18 2b4b s PHE 79 Ca 0.12 0.29 0.04 0.00 0.12 0.00 0.00 56.93 57.49 2b4b s PHE 79 Cb -0.06 -1.82 -0.02 0.00 -0.57 0.00 0.00 43.02 40.56 2b4b s PHE 79 CO 0.07 0.56 0.15 0.25 -0.10 0.00 0.00 175.22 176.15 2b4b n THR 80 N 1.88 0.00 -3.78 0.64 -2.24 -0.16 -4.93 114.28 105.69 2b4b n THR 80 Ca -0.18 -1.96 -0.13 0.00 -2.27 0.00 0.00 64.05 59.51 2b4b n THR 80 Cb 0.54 0.77 -0.10 0.00 -2.10 0.00 0.00 70.33 69.44 2b4b n THR 80 CO 0.00 0.00 0.00 -0.47 -0.57 0.00 0.00 175.07 174.03 2b4b s TYR 81 N -2.88 -0.25 -0.10 4.78 5.04 -1.26 -0.36 117.35 122.32 2b4b s TYR 81 Ca 0.21 0.56 -0.00 0.00 -2.44 0.00 0.00 57.07 55.39 2b4b s TYR 81 Cb 0.01 0.09 0.02 0.00 0.35 0.00 0.00 41.96 42.44 2b4b s TYR 81 CO 0.15 -0.23 -0.05 0.34 -1.34 0.00 0.00 175.55 174.41 2b4b s ASP 82 N -0.40 1.93 0.60 4.32 3.68 -0.31 -4.96 116.67 121.53 2b4b s ASP 82 Ca -0.05 -0.23 0.30 0.00 2.13 0.00 0.00 52.55 54.70 2b4b s ASP 82 Cb -0.03 -0.71 1.73 0.00 -1.45 0.00 0.00 42.92 42.46 2b4b s ASP 82 CO 0.02 -0.13 2.14 1.55 0.13 0.00 0.00 175.17 178.87 2b4b h PRO 83 N 8.12 0.00 -0.44 4.34 0.13 -2.01 0.52 132.00 142.66 2b4b h PRO 83 Ca -0.27 0.00 -0.19 0.00 -0.87 0.00 0.00 66.00 64.67 2b4b h PRO 83 Cb 1.13 0.00 -0.11 0.00 0.13 0.00 0.00 31.00 32.15 2b4b h PRO 83 CO 0.37 0.00 0.05 -2.67 -0.23 0.00 0.00 178.00 175.52 2b4b n TRP 84 N -3.74 1.39 0.13 1.56 2.14 -1.26 -4.64 117.44 113.02 2b4b n TRP 84 Ca 0.00 -1.46 0.00 0.00 2.07 0.00 0.00 57.50 58.11 2b4b n TRP 84 Cb 0.27 -0.53 0.00 0.00 -0.81 0.00 0.00 31.31 30.25 2b4b n TRP 84 CO 0.00 0.00 0.00 -0.89 2.07 0.00 0.00 177.69 178.87 2b4b n ILE 85 N -0.95 0.00 0.00 -1.67 5.41 -0.32 -5.18 119.36 116.65 2b4b n ILE 85 Ca 0.35 0.00 0.00 0.00 1.00 0.00 0.00 62.75 64.10 2b4b n ILE 85 Cb 1.11 -0.48 0.00 0.00 -0.71 0.00 0.00 39.64 39.56 2b4b n ILE 85 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 2b4b n GLY 86 N 1.36 0.86 3.76 7.39 0.00 0.17 -4.84 105.19 113.89 2b4b n GLY 86 Ca 0.00 -1.98 -0.40 0.00 0.00 0.00 0.00 46.02 43.64 2b4b n GLY 86 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2b4b s LYS 87 N -1.54 4.71 0.10 1.61 2.20 -1.26 -1.17 119.74 124.40 2b4b s LYS 87 Ca 0.00 1.66 0.07 0.00 -0.36 0.00 0.00 55.97 57.34 2b4b s LYS 87 Cb 0.00 -3.20 -0.03 0.00 -1.51 0.00 0.00 37.83 33.09 2b4b s LYS 87 CO 0.00 0.33 -0.19 -0.51 -0.36 0.00 0.00 175.35 174.62 2b4b s LEU 88 N -1.39 2.31 -0.22 5.43 1.43 0.51 -0.65 118.68 126.11 2b4b s LEU 88 Ca 0.44 -0.69 -0.12 0.00 -1.03 0.00 0.00 54.13 52.73 2b4b s LEU 88 Cb -0.29 -0.77 -0.05 0.00 0.03 0.00 0.00 46.19 45.12 2b4b s LEU 88 CO 0.37 0.00 0.21 -0.22 0.23 0.00 0.00 176.35 176.94 2b4b s LEU 89 N -1.97 4.16 -0.26 1.79 0.20 -0.86 -0.99 118.68 120.76 2b4b s LEU 89 Ca 0.05 0.25 -0.02 0.00 0.69 0.00 0.00 54.13 55.10 2b4b s LEU 89 Cb -0.09 -2.20 0.02 0.00 -0.43 0.00 0.00 46.19 43.49 2b4b s LEU 89 CO 0.04 0.07 -0.04 -0.47 -0.29 0.00 0.00 176.35 175.67 2b4b s TYR 90 N 0.86 3.09 -0.57 5.38 5.04 0.95 -1.32 117.35 130.77 2b4b s TYR 90 Ca 0.10 -1.46 -0.23 0.00 -2.44 0.00 0.00 57.07 53.04 2b4b s TYR 90 Cb -0.13 -2.09 0.05 0.00 0.35 0.00 0.00 41.96 40.14 2b4b s TYR 90 CO 0.03 -0.70 0.90 -1.17 -1.34 0.00 0.00 175.55 173.27 2b4b s LEU 91 N 1.35 4.30 -0.11 6.97 2.96 -0.27 -1.91 118.68 131.96 2b4b s LEU 91 Ca 0.00 -0.58 -0.28 0.00 -0.22 0.00 0.00 54.13 53.05 2b4b s LEU 91 Cb -0.17 -2.68 -0.25 0.00 0.50 0.00 0.00 46.19 43.60 2b4b s LEU 91 CO -0.03 -1.23 0.89 -0.08 -1.32 0.00 0.00 176.35 174.58 2b4b h GLU 92 N 9.32 0.01 -4.04 1.98 4.57 -1.92 -3.41 114.58 121.08 2b4b h GLU 92 Ca -0.27 -0.02 -0.24 0.00 -1.18 0.00 0.00 59.36 57.65 2b4b h GLU 92 Cb 1.08 0.01 -0.25 0.00 -0.16 0.00 0.00 28.75 29.42 2b4b h GLU 92 CO 1.09 0.89 -0.72 -0.51 -1.18 0.00 0.00 179.01 178.58 2b4b s ASP 93 N -6.13 0.32 -0.18 1.04 1.01 -1.26 -4.92 116.67 106.55 2b4b s ASP 93 Ca -0.18 -0.23 -0.04 0.00 0.71 0.00 0.00 52.55 52.81 2b4b s ASP 93 Cb -0.02 0.01 0.09 0.00 1.01 0.00 0.00 42.92 44.02 2b4b s ASP 93 CO 0.69 -0.09 0.28 0.12 0.21 0.00 0.00 175.17 176.38 2b4b s PHE 94 N -0.59 -0.48 -0.19 4.23 5.36 -1.26 -4.12 117.98 120.93 2b4b s PHE 94 Ca -0.05 0.74 -0.23 0.00 -0.96 0.00 0.00 56.93 56.43 2b4b s PHE 94 Cb -0.04 -0.11 0.06 0.00 -0.34 0.00 0.00 43.02 42.59 2b4b s PHE 94 CO -0.00 -0.51 0.63 0.12 -1.46 0.00 0.00 175.22 173.99 2b4b s PHE 95 N 2.43 -0.66 0.00 10.12 5.36 0.03 -5.00 117.98 130.25 2b4b s PHE 95 Ca 0.05 1.53 0.00 0.00 -0.96 0.00 0.00 56.93 57.55 2b4b s PHE 95 Cb -0.14 0.26 0.00 0.00 -0.34 0.00 0.00 43.02 42.80 2b4b s PHE 95 CO -0.11 -0.38 0.00 0.28 -1.46 0.00 0.00 175.22 173.54 2b4b n VAL 96 N 2.35 0.00 -0.04 3.12 0.31 -1.26 0.47 118.33 123.28 2b4b n VAL 96 Ca -0.15 0.00 -0.01 0.00 -0.01 0.00 0.00 64.34 64.17 2b4b n VAL 96 Cb 0.56 0.00 -0.00 0.00 -0.91 0.00 0.00 33.84 33.48 2b4b n VAL 96 CO 0.00 0.00 0.00 0.28 -1.32 0.00 0.00 176.83 175.79 2b4b h SER 98 N 0.00 0.00 0.00 4.52 0.02 -1.99 -3.46 113.55 112.64 2b4b h SER 98 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 2b4b h SER 98 Cb 0.00 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.54 2b4b h SER 98 CO 0.00 0.38 0.00 0.47 -1.14 0.00 0.00 176.83 176.54 2b4b n ASP 99 N -3.70 0.30 0.00 3.07 8.00 -1.26 -2.51 116.55 120.45 2b4b n ASP 99 Ca -0.02 -0.87 0.00 0.00 0.71 0.00 0.00 54.79 54.61 2b4b n ASP 99 Cb 0.08 -0.15 0.00 0.00 -0.02 0.00 0.00 41.12 41.03 2b4b n ASP 99 CO 0.00 0.00 0.00 -1.22 -0.39 0.00 0.00 177.20 175.59 2b4b n TYR 100 N 0.03 0.00 -2.43 1.24 4.01 -1.26 -4.91 117.16 113.85 2b4b n TYR 100 Ca 0.00 -0.08 -0.26 0.00 -0.16 0.00 0.00 57.90 57.40 2b4b n TYR 100 Cb 0.07 -0.01 0.03 0.00 -0.31 0.00 0.00 39.34 39.13 2b4b n TYR 100 CO 0.00 0.00 0.00 1.03 -0.46 0.00 0.00 176.86 177.43 2b4b s ARG 101 N -0.16 2.83 -0.19 -0.72 0.52 -1.04 -4.22 118.95 115.97 2b4b s ARG 101 Ca 0.00 -0.10 0.00 0.00 -0.52 0.00 0.00 55.73 55.11 2b4b s ARG 101 Cb 0.00 -2.29 0.00 0.00 0.52 0.00 0.00 34.95 33.18 2b4b s ARG 101 CO 0.00 -0.73 0.00 0.41 0.02 0.00 0.00 175.30 175.00 2b4b n GLY 102 N -2.58 0.49 0.26 -3.53 0.00 -1.26 -4.88 105.19 93.70 2b4b n GLY 102 Ca 0.05 -0.22 0.03 0.00 0.00 0.00 0.00 46.02 45.88 2b4b n GLY 102 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 2b4b n PHE 103 N -2.74 0.20 -0.32 1.61 3.72 -1.26 -4.98 117.46 113.69 2b4b n PHE 103 Ca -0.02 -0.57 0.00 0.00 -0.05 0.00 0.00 57.45 56.82 2b4b n PHE 103 Cb 0.16 -0.07 0.00 0.00 -0.94 0.00 0.00 39.48 38.64 2b4b n PHE 103 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2b4b n GLY 104 N -0.26 0.71 0.12 1.37 0.00 -1.26 -4.97 105.19 100.91 2b4b n GLY 104 Ca 0.06 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 46.00 2b4b n GLY 104 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 2b4b h ILE 105 N 0.00 0.99 -0.58 -0.61 2.04 -1.94 -1.97 117.51 115.45 2b4b h ILE 105 Ca 0.00 -0.09 -0.06 0.00 1.00 0.00 0.00 64.86 65.71 2b4b h ILE 105 Cb 0.00 0.70 -0.02 0.00 -0.74 0.00 0.00 36.82 36.76 2b4b h ILE 105 CO 0.00 0.05 0.14 1.23 0.00 0.00 0.00 178.15 179.57 2b4b h GLY 106 N 0.27 0.99 0.99 5.37 0.00 -1.93 -2.01 103.07 106.75 2b4b h GLY 106 Ca 0.10 -0.62 0.01 0.00 0.00 0.00 0.00 47.33 46.82 2b4b h GLY 106 CO -0.07 0.58 0.54 1.76 0.00 0.00 0.00 176.54 179.35 2b4b h SER 107 N 0.83 0.93 -0.57 0.19 0.02 -1.96 -1.25 113.55 111.74 2b4b h SER 107 Ca 0.18 -0.02 -0.05 0.00 -0.84 0.00 0.00 61.79 61.06 2b4b h SER 107 Cb 0.35 -0.23 -0.02 0.00 0.14 0.00 0.00 62.40 62.63 2b4b h SER 107 CO 0.00 0.67 0.17 -0.08 -1.14 0.00 0.00 176.83 176.45 2b4b h GLU 108 N 1.09 0.89 -0.08 3.45 4.57 -1.11 0.10 114.58 123.50 2b4b h GLU 108 Ca 0.30 -0.20 -0.00 0.00 -1.18 0.00 0.00 59.36 58.28 2b4b h GLU 108 Cb -0.11 -0.13 -0.00 0.00 -0.16 0.00 0.00 28.75 28.35 2b4b h GLU 108 CO -0.07 0.81 0.04 0.82 -1.18 0.00 0.00 179.01 179.43 2b4b h ILE 109 N 0.81 1.10 -0.40 2.32 2.04 -0.79 -0.34 117.51 122.25 2b4b h ILE 109 Ca 0.18 -0.30 -0.01 0.00 1.00 0.00 0.00 64.86 65.73 2b4b h ILE 109 Cb 0.30 1.15 -0.02 0.00 -0.74 0.00 0.00 36.82 37.51 2b4b h ILE 109 CO -0.00 0.09 0.21 -0.07 0.00 0.00 0.00 178.15 178.37 2b4b h LEU 110 N 0.02 0.48 -0.05 1.44 3.38 -1.08 0.44 115.31 119.94 2b4b h LEU 110 Ca 0.03 -0.03 -0.01 0.00 0.09 0.00 0.00 57.88 57.96 2b4b h LEU 110 Cb 0.11 -0.12 -0.00 0.00 0.09 0.00 0.00 40.66 40.73 2b4b h LEU 110 CO -0.00 0.40 0.01 0.50 0.09 0.00 0.00 178.44 179.44 2b4b h LYS 111 N 0.55 0.09 -0.24 1.13 3.64 -0.45 -1.42 116.57 119.88 2b4b h LYS 111 Ca 0.14 -0.02 -0.10 0.00 -1.27 0.00 0.00 60.65 59.40 2b4b h LYS 111 Cb 0.04 -0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 31.83 2b4b h LYS 111 CO -0.02 0.31 -0.28 -0.91 -2.27 0.00 0.00 179.45 176.27 2b4b h ASN 112 N -0.15 0.48 -0.41 4.20 2.35 -0.55 -2.19 115.58 119.31 2b4b h ASN 112 Ca 0.02 -0.17 -0.07 0.00 -0.55 0.00 0.00 56.30 55.53 2b4b h ASN 112 Cb 0.26 -0.13 -0.02 0.00 0.05 0.00 0.00 38.32 38.48 2b4b h ASN 112 CO 0.00 0.75 0.03 -0.07 -1.65 0.00 0.00 177.43 176.49 2b4b h LEU 113 N 0.41 0.74 -0.90 1.61 3.38 -0.90 0.12 115.31 119.77 2b4b h LEU 113 Ca 0.06 -0.16 -0.08 0.00 0.09 0.00 0.00 57.88 57.78 2b4b h LEU 113 Cb 0.71 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 41.24 2b4b h LEU 113 CO 0.05 0.79 -0.09 0.28 0.09 0.00 0.00 178.44 179.57 2b4b h SER 114 N 0.74 0.69 -0.24 -0.43 0.02 -0.69 -0.47 113.55 113.17 2b4b h SER 114 Ca 0.15 -0.19 -0.19 0.00 -0.84 0.00 0.00 61.79 60.72 2b4b h SER 114 Cb 0.40 -0.19 0.00 0.00 0.14 0.00 0.00 62.40 62.75 2b4b h SER 114 CO 0.01 0.82 -0.57 1.56 -1.14 0.00 0.00 176.83 177.51 2b4b h GLN 115 N 0.65 0.84 -0.87 3.45 4.20 -1.03 -2.70 115.11 119.65 2b4b h GLN 115 Ca 0.12 -0.54 -0.00 0.00 0.06 0.00 0.00 58.65 58.28 2b4b h GLN 115 Cb 0.53 0.07 -0.04 0.00 0.30 0.00 0.00 27.48 28.34 2b4b h GLN 115 CO 0.03 1.17 0.54 0.28 -0.67 0.00 0.00 178.83 180.18 2b4b h VAL 116 N 0.63 1.24 0.00 -0.54 2.07 -0.67 -0.59 116.25 118.40 2b4b h VAL 116 Ca 0.01 -0.50 0.00 0.00 0.82 0.00 0.00 66.70 67.03 2b4b h VAL 116 Cb 1.17 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 30.95 2b4b h VAL 116 CO 0.12 0.24 0.00 0.00 0.02 0.00 0.00 177.57 177.96 2b4b n ALA 117 N -2.36 1.42 0.00 1.67 0.00 -0.21 -0.96 120.51 120.06 2b4b n ALA 117 Ca 0.09 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.53 2b4b n ALA 117 Cb 0.05 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.50 2b4b n ALA 117 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2b4b n ARG 119 N 0.70 0.00 -0.01 0.00 1.74 -0.23 -1.24 116.66 117.63 2b4b n ARG 119 Ca 0.00 0.00 0.14 0.00 -0.77 0.00 0.00 57.85 57.22 2b4b n ARG 119 Cb 0.05 0.00 0.74 0.00 -1.02 0.00 0.00 32.46 32.23 2b4b n ARG 119 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2b4b n ARG 121 N -0.70 -5.17 -3.43 0.00 5.12 -0.83 -4.99 116.66 106.66 2b4b n ARG 121 Ca 0.20 0.83 -0.38 0.00 -1.93 0.00 0.00 57.85 56.57 2b4b n ARG 121 Cb 0.14 -5.77 -0.06 0.00 -1.16 0.00 0.00 32.46 25.62 2b4b n ARG 121 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 2b4b h SER 123 N 5.21 0.00 0.00 0.00 0.02 -1.21 -3.49 113.55 114.09 2b4b h SER 123 Ca -0.49 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.46 2b4b h SER 123 Cb 1.21 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.75 2b4b h SER 123 CO 0.65 0.59 0.00 -1.54 -1.14 0.00 0.00 176.83 175.39 2b4b n SER 124 N -3.37 1.18 -3.60 3.07 3.41 -1.26 -5.08 113.62 107.97 2b4b n SER 124 Ca 0.01 0.00 -0.08 0.00 -0.26 0.00 0.00 58.87 58.54 2b4b n SER 124 Cb 0.71 0.00 -0.05 0.00 -0.26 0.00 0.00 64.21 64.61 2b4b n SER 124 CO 0.00 0.00 0.00 -1.00 -0.16 0.00 0.00 175.04 173.88 2b4b s HIS 126 N 1.01 -0.29 0.01 7.33 3.76 -0.44 -2.02 115.29 124.65 2b4b s HIS 126 Ca 0.00 0.53 -0.28 0.00 -0.15 0.00 0.00 55.06 55.16 2b4b s HIS 126 Cb 0.00 0.45 0.10 0.00 1.11 0.00 0.00 32.58 34.24 2b4b s HIS 126 CO 0.00 -0.25 0.86 -0.59 -0.85 0.00 0.00 174.74 173.91 2b4b s PHE 127 N -0.93 -0.36 -0.03 1.40 -0.12 -1.26 -1.12 117.98 115.56 2b4b s PHE 127 Ca 0.01 0.22 -0.02 0.00 -0.05 0.00 0.00 56.93 57.09 2b4b s PHE 127 Cb -0.01 0.54 -0.04 0.00 -0.63 0.00 0.00 43.02 42.88 2b4b s PHE 127 CO -0.02 -0.58 0.11 -0.51 -0.05 0.00 0.00 175.22 174.17 2b4b s LEU 128 N -2.51 4.08 -0.01 -1.99 1.43 -1.26 -5.07 118.68 113.35 2b4b s LEU 128 Ca 0.05 0.26 0.00 0.00 -1.03 0.00 0.00 54.13 53.41 2b4b s LEU 128 Cb -0.01 -2.28 0.01 0.00 0.03 0.00 0.00 46.19 43.94 2b4b s LEU 128 CO -0.09 0.31 0.00 -0.69 0.23 0.00 0.00 176.35 176.11 2b4b s VAL 129 N -1.17 0.03 0.30 -1.59 1.01 -1.26 -5.12 120.40 112.59 2b4b s VAL 129 Ca 0.22 0.04 -0.29 0.00 0.00 0.00 0.00 61.98 61.95 2b4b s VAL 129 Cb -0.12 -0.07 -0.10 0.00 0.00 0.00 0.00 36.38 36.09 2b4b s VAL 129 CO 0.12 0.04 1.33 0.00 0.00 0.00 0.00 175.10 176.59 2b4b s ALA 130 N 0.31 3.53 0.43 5.51 0.00 -1.26 -4.93 121.76 125.35 2b4b s ALA 130 Ca -0.03 1.25 0.14 0.00 0.00 0.00 0.00 51.96 53.32 2b4b s ALA 130 Cb -0.04 -3.49 1.02 0.00 0.00 0.00 0.00 23.12 20.61 2b4b s ALA 130 CO -0.01 -0.64 1.96 1.05 0.00 0.00 0.00 175.76 178.12 2b4b h GLU 131 N 4.00 0.42 -0.01 0.00 -0.00 -2.05 -1.54 114.58 115.39 2b4b h GLU 131 Ca -0.48 -0.03 0.00 0.00 -0.00 0.00 0.00 59.36 58.86 2b4b h GLU 131 Cb 1.22 -0.09 0.00 0.00 -0.00 0.00 0.00 28.75 29.88 2b4b h GLU 131 CO 0.70 0.28 -0.16 -2.67 -0.00 0.00 0.00 179.01 177.15 2b4b n TRP 132 N -4.47 0.00 -2.20 2.06 4.27 -1.26 -4.57 117.44 111.26 2b4b n TRP 132 Ca 0.11 0.00 -0.42 0.00 -3.89 0.00 0.00 57.50 53.30 2b4b n TRP 132 Cb 0.41 -0.15 0.00 0.00 -1.36 0.00 0.00 31.31 30.22 2b4b n TRP 132 CO 0.00 0.00 0.00 -1.71 -2.29 0.00 0.00 177.69 173.69 2b4b n ASN 133 N -0.77 4.72 -0.31 -0.67 4.05 -0.58 -4.78 115.26 116.91 2b4b n ASN 133 Ca 0.14 -3.01 0.06 0.00 0.45 0.00 0.00 54.58 52.22 2b4b n ASN 133 Cb 0.31 -1.55 0.26 0.00 1.23 0.00 0.00 39.78 40.03 2b4b n ASN 133 CO 0.00 0.00 0.00 -0.08 -3.05 0.00 0.00 177.26 174.13 2b4b h GLU 134 N 5.99 0.94 -0.84 1.20 4.57 -1.84 -0.61 114.58 123.99 2b4b h GLU 134 Ca 0.45 -0.06 -0.01 0.00 -1.18 0.00 0.00 59.36 58.56 2b4b h GLU 134 Cb 0.66 -0.21 -0.04 0.00 -0.16 0.00 0.00 28.75 29.00 2b4b h GLU 134 CO 1.68 0.62 0.47 -1.35 -1.18 0.00 0.00 179.01 179.25 2b4b h PRO 135 N 0.97 1.16 -0.19 0.92 0.11 -1.99 -1.52 132.00 131.45 2b4b h PRO 135 Ca 0.43 -0.13 -0.10 0.00 0.11 0.00 0.00 66.00 66.31 2b4b h PRO 135 Cb 0.36 -0.23 -0.00 0.00 0.11 0.00 0.00 31.00 31.24 2b4b h PRO 135 CO -0.19 0.84 -0.27 1.03 -0.21 0.00 0.00 178.00 179.20 2b4b h SER 136 N 1.16 0.57 -0.93 -2.05 0.87 -1.84 -2.02 113.55 109.31 2b4b h SER 136 Ca 0.30 -0.51 0.12 0.00 -1.23 0.00 0.00 61.79 60.46 2b4b h SER 136 Cb 0.01 -0.16 -0.07 0.00 -0.44 0.00 0.00 62.40 61.73 2b4b h SER 136 CO -0.05 0.97 0.59 0.40 -0.53 0.00 0.00 176.83 178.21 2b4b h ILE 137 N 0.18 0.91 0.02 2.23 2.04 -0.84 -1.93 117.51 120.12 2b4b h ILE 137 Ca 0.02 -0.30 -0.22 0.00 1.00 0.00 0.00 64.86 65.36 2b4b h ILE 137 Cb 0.84 -0.03 -0.03 0.00 -0.74 0.00 0.00 36.82 36.87 2b4b h ILE 137 CO 0.06 0.16 -1.05 0.78 0.00 0.00 0.00 178.15 178.10 2b4b h ASN 138 N 0.86 0.06 -0.63 1.72 2.35 -1.18 -1.13 115.58 117.63 2b4b h ASN 138 Ca 0.45 -0.06 0.03 0.00 -0.55 0.00 0.00 56.30 56.17 2b4b h ASN 138 Cb 0.53 -0.02 -0.04 0.00 0.05 0.00 0.00 38.32 38.84 2b4b h ASN 138 CO -0.21 1.05 0.38 0.15 -1.65 0.00 0.00 177.43 177.14 2b4b h PHE 139 N 0.01 0.71 0.13 1.19 3.04 -0.68 0.17 116.94 121.50 2b4b h PHE 139 Ca -0.03 0.02 -0.28 0.00 3.98 0.00 0.00 57.97 61.66 2b4b h PHE 139 Cb 1.80 -0.23 0.01 0.00 2.56 0.00 0.00 35.95 40.09 2b4b h PHE 139 CO 0.01 0.39 -1.25 1.88 -2.02 0.00 0.00 178.31 177.32 2b4b h TYR 140 N 0.74 0.55 -0.72 0.41 0.05 -1.37 -3.23 116.97 113.40 2b4b h TYR 140 Ca 0.26 -0.40 -0.06 0.00 0.05 0.00 0.00 58.73 58.58 2b4b h TYR 140 Cb 0.05 -0.03 -0.03 0.00 1.01 0.00 0.00 36.73 37.73 2b4b h TYR 140 CO -0.06 1.30 0.23 0.87 -1.05 0.00 0.00 178.16 179.45 2b4b h LYS 141 N 0.09 1.11 0.00 4.88 1.57 -0.95 -0.38 116.57 122.90 2b4b h LYS 141 Ca -0.14 -0.23 0.00 0.00 -1.87 0.00 0.00 60.65 58.41 2b4b h LYS 141 Cb 1.97 -0.16 0.00 0.00 0.08 0.00 0.00 32.23 34.11 2b4b h LYS 141 CO 0.21 0.94 0.04 0.00 -0.57 0.00 0.00 179.45 180.07 2b4b h ARG 142 N 1.07 0.00 -0.47 3.15 3.08 -0.69 0.56 114.38 121.08 2b4b h ARG 142 Ca 0.23 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.28 2b4b h ARG 142 Cb 0.29 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.34 2b4b h ARG 142 CO -0.01 0.00 0.00 0.54 -1.07 0.00 0.00 179.97 179.43 2b4b n ARG 143 N -2.95 3.81 -0.61 0.04 1.74 -0.45 -4.94 116.66 113.29 2b4b n ARG 143 Ca -0.03 -2.91 0.00 0.00 -0.77 0.00 0.00 57.85 54.15 2b4b n ARG 143 Cb 0.10 -1.96 0.00 0.00 -1.02 0.00 0.00 32.46 29.58 2b4b n ARG 143 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2b4b n GLY 144 N 0.36 0.68 3.83 -0.13 0.00 0.19 -5.06 105.19 105.05 2b4b n GLY 144 Ca 0.24 -0.18 -0.33 0.00 0.00 0.00 0.00 46.02 45.75 2b4b n GLY 144 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2b4b s ALA 145 N -2.00 3.04 0.11 4.61 0.00 -0.28 -4.98 121.76 122.26 2b4b s ALA 145 Ca 0.00 0.34 0.06 0.00 0.00 0.00 0.00 51.96 52.36 2b4b s ALA 145 Cb 0.00 -3.15 -0.04 0.00 0.00 0.00 0.00 23.12 19.94 2b4b s ALA 145 CO 0.00 -0.02 -0.16 -1.54 0.00 0.00 0.00 175.76 174.05 2b4b s SER 146 N -2.46 2.09 -0.89 0.00 1.04 -1.26 -4.45 113.70 107.76 2b4b s SER 146 Ca 0.61 -0.74 -0.22 0.00 0.48 0.00 0.00 55.95 56.09 2b4b s SER 146 Cb -0.10 -0.09 0.08 0.00 0.10 0.00 0.00 66.02 66.02 2b4b s SER 146 CO 0.19 -0.07 1.22 -0.62 0.98 0.00 0.00 173.24 174.94 2b4b s ASP 147 N -2.18 6.46 0.29 7.02 -1.08 -1.26 -4.86 116.67 121.07 2b4b s ASP 147 Ca 0.06 -1.51 0.03 0.00 -0.52 0.00 0.00 52.55 50.61 2b4b s ASP 147 Cb -0.07 -2.48 0.44 0.00 -1.46 0.00 0.00 42.92 39.35 2b4b s ASP 147 CO 0.03 -1.35 1.75 0.25 0.52 0.00 0.00 175.17 176.37 2b4b h LEU 148 N 11.63 0.50 -0.45 -1.34 5.85 -1.98 -0.99 115.31 128.53 2b4b h LEU 148 Ca 0.05 -0.15 0.04 0.00 0.84 0.00 0.00 57.88 58.66 2b4b h LEU 148 Cb 1.03 -0.14 -0.04 0.00 0.37 0.00 0.00 40.66 41.89 2b4b h LEU 148 CO 1.24 0.71 0.22 0.28 -0.34 0.00 0.00 178.44 180.55 2b4b h SER 149 N 0.46 0.32 0.77 1.25 0.02 -1.89 -1.27 113.55 113.20 2b4b h SER 149 Ca 0.08 0.03 -0.25 0.00 -0.84 0.00 0.00 61.79 60.80 2b4b h SER 149 Cb 0.59 -0.03 -0.03 0.00 0.14 0.00 0.00 62.40 63.07 2b4b h SER 149 CO 0.04 0.23 -1.28 0.28 -1.14 0.00 0.00 176.83 174.96 2b4b h SER 150 N 0.44 0.07 0.06 3.07 0.02 -1.79 -0.82 113.55 114.60 2b4b h SER 150 Ca 0.20 -0.09 -0.21 0.00 -0.84 0.00 0.00 61.79 60.85 2b4b h SER 150 Cb 0.11 -0.02 0.00 0.00 0.14 0.00 0.00 62.40 62.63 2b4b h SER 150 CO -0.14 1.07 -0.77 -0.33 -1.14 0.00 0.00 176.83 175.52 2b4b h GLU 151 N 0.01 0.60 -0.08 3.45 5.08 -1.12 -3.33 114.58 119.20 2b4b h GLU 151 Ca -0.12 -0.50 0.00 0.00 -1.00 0.00 0.00 59.36 57.73 2b4b h GLU 151 Cb 1.88 0.11 0.00 0.00 0.50 0.00 0.00 28.75 31.24 2b4b h GLU 151 CO 0.12 1.12 0.00 0.39 -1.00 0.00 0.00 179.01 179.65 2b4b n GLU 152 N -3.88 1.15 -2.69 2.33 1.02 -0.49 -5.03 120.64 113.06 2b4b n GLU 152 Ca -0.06 -1.42 -0.09 0.00 -0.02 0.00 0.00 57.16 55.56 2b4b n GLU 152 Cb 0.74 -1.26 0.05 0.00 -0.02 0.00 0.00 31.44 30.94 2b4b n GLU 152 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2b4b n GLY 153 N 0.73 -0.13 3.44 0.62 0.00 -0.41 -5.04 105.19 104.40 2b4b n GLY 153 Ca 0.09 0.01 -0.33 0.00 0.00 0.00 0.00 46.02 45.79 2b4b n GLY 153 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 2b4b s TRP 154 N -3.21 2.68 -0.05 1.61 0.52 -0.59 -5.04 118.94 114.85 2b4b s TRP 154 Ca 0.11 -0.27 0.05 0.00 0.02 0.00 0.00 56.10 56.02 2b4b s TRP 154 Cb -0.01 -1.65 -0.01 0.00 -1.15 0.00 0.00 33.47 30.65 2b4b s TRP 154 CO 0.42 0.10 -0.21 1.03 0.02 0.00 0.00 176.95 178.31 2b4b s ARG 155 N -0.55 2.22 -0.06 4.98 0.52 -1.26 -4.59 118.95 120.21 2b4b s ARG 155 Ca 0.08 -0.77 -0.26 0.00 -0.52 0.00 0.00 55.73 54.26 2b4b s ARG 155 Cb -0.11 -1.89 -0.03 0.00 0.52 0.00 0.00 34.95 33.44 2b4b s ARG 155 CO 0.01 0.31 0.81 -1.17 0.02 0.00 0.00 175.30 175.28 2b4b s LEU 156 N -0.04 4.31 0.27 2.53 2.96 -1.26 -5.05 118.68 122.40 2b4b s LEU 156 Ca -0.04 1.33 0.11 0.00 -0.22 0.00 0.00 54.13 55.31 2b4b s LEU 156 Cb -0.13 -3.25 -0.05 0.00 0.50 0.00 0.00 46.19 43.26 2b4b s LEU 156 CO 0.03 -0.20 -0.19 -0.36 -1.32 0.00 0.00 176.35 174.31 2b4b s PHE 157 N 1.08 2.23 0.02 5.38 0.40 -1.26 -5.16 117.98 120.66 2b4b s PHE 157 Ca 0.42 -0.37 -0.08 0.00 -0.60 0.00 0.00 56.93 56.30 2b4b s PHE 157 Cb -0.19 -0.99 0.00 0.00 0.51 0.00 0.00 43.02 42.36 2b4b s PHE 157 CO 0.20 0.67 0.15 -1.59 0.70 0.00 0.00 175.22 175.35 2b4b s LYS 158 N -3.53 0.57 -0.21 0.44 -2.85 -1.26 -5.13 119.74 107.77 2b4b s LYS 158 Ca 0.29 -0.52 -0.00 0.00 -1.00 0.00 0.00 55.97 54.74 2b4b s LYS 158 Cb -0.04 0.24 0.06 0.00 -2.06 0.00 0.00 37.83 36.02 2b4b s LYS 158 CO 0.14 -0.15 -0.04 0.42 0.10 0.00 0.00 175.35 175.83 2b4b s ILE 159 N -1.94 1.24 0.87 3.79 1.01 -1.26 -5.14 121.20 119.78 2b4b s ILE 159 Ca -0.10 -0.96 -0.11 0.00 0.00 0.00 0.00 60.65 59.47 2b4b s ILE 159 Cb -0.04 -1.53 0.11 0.00 0.01 0.00 0.00 42.46 41.00 2b4b s ILE 159 CO -0.01 -0.08 1.09 -1.81 0.00 0.00 0.00 174.94 174.14 2b4b s ASP 160 N 1.54 3.70 0.26 3.58 -0.00 -1.26 -4.75 116.67 119.73 2b4b s ASP 160 Ca -0.03 1.50 -0.05 0.00 -0.00 0.00 0.00 52.55 53.96 2b4b s ASP 160 Cb -0.18 -2.19 0.50 0.00 -0.00 0.00 0.00 42.92 41.05 2b4b s ASP 160 CO -0.07 -2.50 1.63 0.50 -0.00 0.00 0.00 175.17 174.74 2b4b h LYS 161 N -1.45 0.11 -0.91 8.23 3.64 -2.00 -1.93 116.57 122.26 2b4b h LYS 161 Ca -0.49 -0.01 0.13 0.00 -1.27 0.00 0.00 60.65 59.02 2b4b h LYS 161 Cb 1.28 -0.03 -0.07 0.00 -0.41 0.00 0.00 32.23 33.00 2b4b h LYS 161 CO 0.55 0.08 0.58 1.05 -2.27 0.00 0.00 179.45 179.44 2b4b h GLU 162 N 0.12 0.76 0.07 1.90 4.11 -1.99 0.18 114.58 119.73 2b4b h GLU 162 Ca 0.45 -0.05 -0.24 0.00 0.07 0.00 0.00 59.36 59.59 2b4b h GLU 162 Cb 0.81 -0.17 -0.01 0.00 0.50 0.00 0.00 28.75 29.88 2b4b h GLU 162 CO -0.68 0.50 -1.12 1.88 0.07 0.00 0.00 179.01 179.66 2b4b h TYR 163 N 0.79 0.31 -0.50 2.06 0.05 -1.72 -2.37 116.97 115.58 2b4b h TYR 163 Ca 0.45 -0.22 -0.09 0.00 0.05 0.00 0.00 58.73 58.92 2b4b h TYR 163 Cb 0.61 -0.01 -0.02 0.00 1.01 0.00 0.00 36.73 38.32 2b4b h TYR 163 CO -0.00 1.15 -0.06 -0.07 -1.05 0.00 0.00 178.16 178.13 2b4b h LEU 164 N 0.05 0.87 -0.56 3.88 3.38 -0.74 -2.67 115.31 119.52 2b4b h LEU 164 Ca -0.08 -0.25 -0.07 0.00 0.09 0.00 0.00 57.88 57.57 2b4b h LEU 164 Cb 1.85 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 42.35 2b4b h LEU 164 CO 0.17 0.97 0.09 0.25 0.09 0.00 0.00 178.44 180.01 2b4b h LEU 165 N 0.81 0.90 -1.09 1.67 5.85 -0.69 -0.00 115.31 122.76 2b4b h LEU 165 Ca 0.14 -0.26 0.00 0.00 0.84 0.00 0.00 57.88 58.60 2b4b h LEU 165 Cb 0.57 -0.24 0.00 0.00 0.37 0.00 0.00 40.66 41.36 2b4b h LEU 165 CO 0.03 0.94 0.00 1.17 -0.34 0.00 0.00 178.44 180.24 2b4b n LYS 166 N -4.33 0.00 0.00 1.25 4.81 -0.90 -1.88 118.16 117.11 2b4b n LYS 166 Ca 0.02 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.46 2b4b n LYS 166 Cb 0.27 -1.00 0.00 0.00 0.02 0.00 0.00 35.03 34.32 2b4b n LYS 166 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 2b4b n ALA 168 N 0.51 0.00 0.85 3.14 0.00 -0.02 -0.90 120.51 124.09 2b4b n ALA 168 Ca 0.00 0.00 0.09 0.00 0.00 0.00 0.00 53.44 53.53 2b4b n ALA 168 Cb 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 19.44 2b4b n ALA 168 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 2b4b n THR 169 N 0.00 0.00 -1.70 0.00 -2.24 -0.79 -5.00 114.28 104.55 2b4b n THR 169 Ca 0.00 -0.28 -0.57 0.00 -2.27 0.00 0.00 64.05 60.93 2b4b n THR 169 Cb 0.00 1.21 -0.07 0.00 -2.10 0.00 0.00 70.33 69.36 2b4b n THR 169 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 2b4b n GLU 170 N -0.19 1.16 -0.61 -0.78 -0.58 -0.08 -5.23 120.64 114.33 2b4b n GLU 170 Ca 0.08 0.42 0.00 0.00 -0.42 0.00 0.00 57.16 57.24 2b4b n GLU 170 Cb 0.39 -2.10 0.00 0.00 -0.57 0.00 0.00 31.44 29.16 2b4b n GLU 170 CO 0.00 0.00 0.00 -1.91 -0.48 0.00 0.00 177.13 174.74