#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2b4b s VAL 5 N 0.00 1.29 -0.20 1.97 0.11 -0.43 -4.95 120.40 118.18 2b4b s VAL 5 Ca 0.00 -0.72 -0.08 0.00 -2.93 0.00 0.00 61.98 58.25 2b4b s VAL 5 Cb 0.00 -1.08 -0.04 0.00 -1.53 0.00 0.00 36.38 33.73 2b4b s VAL 5 CO 0.00 0.35 0.09 -0.63 -3.33 0.00 0.00 175.10 171.58 2b4b s ILE 6 N -0.41 4.95 0.09 7.04 -1.09 -1.26 -1.85 121.20 128.67 2b4b s ILE 6 Ca 0.06 0.03 -0.10 0.00 -2.23 0.00 0.00 60.65 58.41 2b4b s ILE 6 Cb -0.06 -3.26 0.00 0.00 -1.58 0.00 0.00 42.46 37.56 2b4b s ILE 6 CO -0.00 0.42 0.22 0.00 -1.23 0.00 0.00 174.94 174.35 2b4b s ARG 7 N 0.61 0.88 0.62 2.79 1.70 -0.77 -5.00 118.95 119.77 2b4b s ARG 7 Ca 0.05 -0.93 -0.16 0.00 -0.47 0.00 0.00 55.73 54.22 2b4b s ARG 7 Cb -0.13 0.36 -0.02 0.00 -0.57 0.00 0.00 34.95 34.59 2b4b s ARG 7 CO 0.01 -0.29 1.09 -2.14 -1.08 0.00 0.00 175.30 172.89 2b4b s PRO 8 N -3.85 3.10 1.07 3.89 0.02 -1.26 -0.76 135.00 137.21 2b4b s PRO 8 Ca 0.05 1.32 -0.14 0.00 0.02 0.00 0.00 61.00 62.25 2b4b s PRO 8 Cb 0.04 -2.00 0.23 0.00 0.02 0.00 0.00 34.50 32.80 2b4b s PRO 8 CO -0.11 -1.00 1.08 0.00 -0.33 0.00 0.00 177.00 176.64 2b4b s ALA 9 N -2.35 0.54 0.05 -1.55 0.00 -0.45 -4.73 121.76 113.29 2b4b s ALA 9 Ca 0.66 -0.43 0.03 0.00 0.00 0.00 0.00 51.96 52.22 2b4b s ALA 9 Cb -0.19 -3.10 -0.02 0.00 0.00 0.00 0.00 23.12 19.81 2b4b s ALA 9 CO 0.38 -3.20 -0.11 0.99 0.00 0.00 0.00 175.76 173.82 2b4b s THR 10 N -2.87 0.79 0.61 0.00 2.01 -1.26 -5.01 115.64 109.91 2b4b s THR 10 Ca 0.67 -1.12 0.27 0.00 0.31 0.00 0.00 61.69 61.82 2b4b s THR 10 Cb -0.19 -0.80 0.36 0.00 0.01 0.00 0.00 72.50 71.89 2b4b s THR 10 CO 0.59 -0.28 1.70 0.00 -0.69 0.00 0.00 174.62 175.94 2b4b h ALA 11 N 4.52 2.31 -0.00 7.40 0.00 -1.98 1.31 119.26 132.82 2b4b h ALA 11 Ca -0.37 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.52 2b4b h ALA 11 Cb 1.20 0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.03 2b4b h ALA 11 CO 0.41 -0.99 -0.28 0.00 0.00 0.00 0.00 179.25 178.39 2b4b n ALA 12 N -2.24 3.06 1.43 0.00 0.00 -1.26 -3.31 120.51 118.19 2b4b n ALA 12 Ca 0.11 -0.29 0.14 0.00 0.00 0.00 0.00 53.44 53.41 2b4b n ALA 12 Cb 0.90 -1.24 0.67 0.00 0.00 0.00 0.00 19.45 19.78 2b4b n ALA 12 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 2b4b n ASP 13 N -1.28 0.31 -0.22 0.00 8.00 0.45 -4.31 116.55 119.50 2b4b n ASP 13 Ca 0.09 -0.46 0.03 0.00 0.71 0.00 0.00 54.79 55.16 2b4b n ASP 13 Cb 0.33 -0.13 0.14 0.00 -0.02 0.00 0.00 41.12 41.43 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 0.28 0.77 -0.28 0.00 4.64 -1.87 -1.62 113.55 115.47 2b4b h SER 15 Ca 0.36 -0.24 -0.12 0.00 -0.47 0.00 0.00 61.79 61.33 2b4b h SER 15 Cb 0.57 -0.21 -0.01 0.00 -0.31 0.00 0.00 62.40 62.44 2b4b h SER 15 CO -0.45 0.92 -0.23 0.44 -0.87 0.00 0.00 176.83 176.64 2b4b h ASP 16 N 0.70 0.77 -0.29 4.97 5.19 -1.72 -2.10 116.42 123.95 2b4b h ASP 16 Ca 0.12 -0.28 -0.02 0.00 -0.62 0.00 0.00 57.03 56.23 2b4b h ASP 16 Cb 0.61 -0.21 -0.01 0.00 0.18 0.00 0.00 39.33 39.90 2b4b h ASP 16 CO 0.04 0.98 0.12 0.40 -3.12 0.00 0.00 179.24 177.66 2b4b h ILE 17 N 0.66 1.17 -0.63 0.35 2.04 -0.93 -0.51 117.51 119.67 2b4b h ILE 17 Ca 0.09 -0.53 -0.02 0.00 1.00 0.00 0.00 64.86 65.40 2b4b h ILE 17 Cb 0.74 0.99 -0.03 0.00 -0.74 0.00 0.00 36.82 37.78 2b4b h ILE 17 CO 0.06 0.18 0.32 0.25 0.00 0.00 0.00 178.15 178.96 2b4b h LEU 18 N 0.32 0.81 -0.45 1.44 5.85 -1.22 0.96 115.31 123.02 2b4b h LEU 18 Ca 0.10 -0.12 0.05 0.00 0.84 0.00 0.00 57.88 58.75 2b4b h LEU 18 Cb 0.17 -0.21 -0.05 0.00 0.37 0.00 0.00 40.66 40.95 2b4b h LEU 18 CO -0.01 0.70 0.18 -0.09 -0.34 0.00 0.00 178.44 178.87 2b4b h ARG 19 N 0.86 0.35 -0.17 1.25 2.43 -1.06 -0.32 114.38 117.72 2b4b h ARG 19 Ca 0.22 -0.02 -0.15 0.00 -0.81 0.00 0.00 59.98 59.21 2b4b h ARG 19 Cb 0.09 -0.08 -0.01 0.00 -0.42 0.00 0.00 29.97 29.55 2b4b h ARG 19 CO -0.03 0.23 -0.53 -0.07 -1.51 0.00 0.00 179.97 178.06 2b4b h LEU 20 N 0.36 0.54 -0.76 3.80 3.38 -0.63 -1.25 115.31 120.75 2b4b h LEU 20 Ca 0.20 -0.28 -0.01 0.00 0.09 0.00 0.00 57.88 57.89 2b4b h LEU 20 Cb 0.18 -0.15 -0.04 0.00 0.09 0.00 0.00 40.66 40.73 2b4b h LEU 20 CO -0.19 0.97 0.45 0.40 0.09 0.00 0.00 178.44 180.16 2b4b h ILE 21 N 0.38 1.22 -0.27 1.22 2.04 -0.27 0.76 117.51 122.58 2b4b h ILE 21 Ca 0.01 -0.50 -0.12 0.00 1.00 0.00 0.00 64.86 65.26 2b4b h ILE 21 Cb 1.05 0.17 -0.01 0.00 -0.74 0.00 0.00 36.82 37.29 2b4b h ILE 21 CO 0.10 0.23 -0.32 0.11 0.00 0.00 0.00 178.15 178.26 2b4b h LYS 22 N 1.04 0.58 -0.57 2.37 1.57 -0.76 0.83 116.57 121.63 2b4b h LYS 22 Ca 0.27 -0.26 -0.08 0.00 -1.87 0.00 0.00 60.65 58.72 2b4b h LYS 22 Cb -0.02 -0.01 -0.02 0.00 0.08 0.00 0.00 32.23 32.25 2b4b h LYS 22 CO -0.05 0.83 0.04 0.93 -0.57 0.00 0.00 179.45 180.63 2b4b h GLU 23 N 0.49 0.95 -0.28 3.15 5.08 -0.62 -0.89 114.58 122.46 2b4b h GLU 23 Ca 0.06 -0.26 -0.05 0.00 -1.00 0.00 0.00 59.36 58.11 2b4b h GLU 23 Cb 0.80 -0.11 -0.01 0.00 0.50 0.00 0.00 28.75 29.93 2b4b h GLU 23 CO 0.07 0.91 -0.01 1.25 -1.00 0.00 0.00 179.01 180.23 2b4b h LEU 24 N 0.89 0.50 -0.40 1.33 5.85 -0.34 -0.94 115.31 122.19 2b4b h LEU 24 Ca 0.17 -0.32 0.05 0.00 0.84 0.00 0.00 57.88 58.63 2b4b h LEU 24 Cb 0.46 -0.13 -0.05 0.00 0.37 0.00 0.00 40.66 41.31 2b4b h LEU 24 CO 0.02 0.69 0.12 0.00 -0.34 0.00 0.00 178.44 178.94 2b4b h ALA 25 N 0.82 0.46 -0.33 1.25 0.00 -0.66 0.96 119.26 121.76 2b4b h ALA 25 Ca 0.08 0.06 0.06 0.00 0.00 0.00 0.00 54.91 55.11 2b4b h ALA 25 Cb 0.44 0.05 -0.06 0.00 0.00 0.00 0.00 17.79 18.22 2b4b h ALA 25 CO 0.02 -0.27 -0.04 -0.09 0.00 0.00 0.00 179.25 178.86 2b4b h ARG 26 N 0.27 0.04 -0.13 0.00 2.43 -0.95 0.22 114.38 116.26 2b4b h ARG 26 Ca 0.19 -0.00 0.04 0.00 -0.81 0.00 0.00 59.98 59.39 2b4b h ARG 26 Cb 0.19 -0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 29.72 2b4b h ARG 26 CO -0.21 0.03 0.11 -0.92 -1.51 0.00 0.00 179.97 177.47 2b4b h TYR 27 N 0.04 0.00 -0.63 2.20 3.20 0.23 -0.41 116.97 121.61 2b4b h TYR 27 Ca 0.16 0.00 0.00 0.00 3.14 0.00 0.00 58.73 62.03 2b4b h TYR 27 Cb 0.23 0.00 0.00 0.00 1.54 0.00 0.00 36.73 38.50 2b4b h TYR 27 CO -0.27 0.00 0.00 0.39 -1.64 0.00 0.00 178.16 176.64 2b4b n GLU 28 N -4.15 3.26 -3.07 1.82 -0.58 0.51 -5.09 120.64 113.35 2b4b n GLU 28 Ca 0.00 -2.72 -0.10 0.00 -0.42 0.00 0.00 57.16 53.93 2b4b n GLU 28 Cb 0.23 -1.71 0.01 0.00 -0.57 0.00 0.00 31.44 29.40 2b4b n GLU 28 CO 0.00 0.00 0.00 0.66 -0.48 0.00 0.00 177.13 177.31 2b4b n TYR 29 N 1.17 -3.11 0.00 -0.32 4.02 0.22 -5.02 117.16 114.11 2b4b n TYR 29 Ca 0.24 1.24 0.00 0.00 -0.01 0.00 0.00 57.90 59.36 2b4b n TYR 29 Cb 0.75 -3.77 0.00 0.00 -0.02 0.00 0.00 39.34 36.30 2b4b n TYR 29 CO 0.00 0.00 0.00 -1.91 -1.01 0.00 0.00 176.86 173.94 2b4b n GLU 31 N -1.02 0.00 0.25 -0.72 2.13 -1.13 -4.97 120.64 115.18 2b4b n GLU 31 Ca 0.02 0.00 0.11 0.00 0.66 0.00 0.00 57.16 57.95 2b4b n GLU 31 Cb 0.52 0.00 0.63 0.00 0.27 0.00 0.00 31.44 32.85 2b4b n GLU 31 CO 0.00 0.00 0.00 0.93 -0.41 0.00 0.00 177.13 177.65 2b4b h GLU 32 N 0.00 0.00 -0.11 5.31 4.39 -1.97 -2.69 114.58 119.51 2b4b h GLU 32 Ca 0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 2b4b h GLU 32 Cb 0.00 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.65 2b4b h GLU 32 CO 0.00 0.17 0.00 1.04 -1.16 0.00 0.00 179.01 179.06 2b4b n GLN 33 N -3.63 1.52 -2.00 2.33 6.02 -1.26 -4.89 117.38 115.48 2b4b n GLN 33 Ca -0.01 -0.78 -0.42 0.00 -0.01 0.00 0.00 57.00 55.77 2b4b n GLN 33 Cb 0.30 -1.38 -0.03 0.00 1.02 0.00 0.00 30.24 30.16 2b4b n GLN 33 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 177.06 176.13 2b4b s VAL 34 N -1.86 3.13 -0.21 5.09 1.01 -1.02 -4.87 120.40 121.67 2b4b s VAL 34 Ca 0.32 0.62 0.02 0.00 0.00 0.00 0.00 61.98 62.94 2b4b s VAL 34 Cb 0.17 -3.40 0.03 0.00 0.00 0.00 0.00 36.38 33.17 2b4b s VAL 34 CO 0.26 0.01 0.72 2.30 0.00 0.00 0.00 175.10 178.39 2b4b n ILE 35 N 4.58 0.34 -2.85 2.22 -5.35 -1.26 -5.03 119.36 112.01 2b4b n ILE 35 Ca 0.15 -0.67 -0.40 0.00 -0.27 0.00 0.00 62.75 61.56 2b4b n ILE 35 Cb 0.41 0.86 -0.06 0.00 -1.74 0.00 0.00 39.64 39.11 2b4b n ILE 35 CO 0.00 0.00 0.00 -0.22 -1.76 0.00 0.00 176.55 174.57 2b4b s LEU 36 N -0.44 4.62 0.36 7.28 2.96 -1.26 -5.06 118.68 127.14 2b4b s LEU 36 Ca 0.03 1.82 0.09 0.00 -0.22 0.00 0.00 54.13 55.84 2b4b s LEU 36 Cb 0.02 -3.48 -0.07 0.00 0.50 0.00 0.00 46.19 43.16 2b4b s LEU 36 CO 0.02 0.17 -0.04 0.42 -1.32 0.00 0.00 176.35 175.61 2b4b s THR 37 N -1.12 2.24 0.31 3.68 -4.23 -1.26 -5.01 115.64 110.25 2b4b s THR 37 Ca 0.39 -2.09 0.01 0.00 -1.18 0.00 0.00 61.69 58.82 2b4b s THR 37 Cb -0.25 -2.78 0.18 0.00 1.34 0.00 0.00 72.50 71.00 2b4b s THR 37 CO 0.30 -0.14 1.88 -0.33 -0.54 0.00 0.00 174.62 175.79 2b4b h GLU 38 N 1.90 0.75 0.05 3.99 5.08 -1.98 0.20 114.58 124.57 2b4b h GLU 38 Ca -0.43 -0.13 -0.00 0.00 -1.00 0.00 0.00 59.36 57.80 2b4b h GLU 38 Cb 1.25 -0.13 0.00 0.00 0.50 0.00 0.00 28.75 30.37 2b4b h GLU 38 CO 0.73 0.65 -0.02 0.87 -1.00 0.00 0.00 179.01 180.23 2b4b h LYS 39 N 0.74 -0.06 -0.48 2.33 1.79 -1.99 -0.44 116.57 118.45 2b4b h LYS 39 Ca 0.17 0.00 0.02 0.00 -2.18 0.00 0.00 60.65 58.67 2b4b h LYS 39 Cb 0.21 0.01 -0.03 0.00 -1.58 0.00 0.00 32.23 30.84 2b4b h LYS 39 CO -0.01 -0.00 0.29 -0.44 -1.08 0.00 0.00 179.45 178.20 2b4b h ASP 40 N -0.11 0.46 -0.63 0.86 3.32 -1.79 -1.97 116.42 116.56 2b4b h ASP 40 Ca -0.01 0.00 0.03 0.00 0.02 0.00 0.00 57.03 57.08 2b4b h ASP 40 Cb 0.09 -0.09 -0.04 0.00 0.22 0.00 0.00 39.33 39.50 2b4b h ASP 40 CO 0.01 0.33 0.38 0.25 -1.72 0.00 0.00 179.24 178.49 2b4b h LEU 41 N 0.57 0.61 -0.45 1.55 5.85 -0.78 0.12 115.31 122.79 2b4b h LEU 41 Ca 0.19 0.01 -0.08 0.00 0.84 0.00 0.00 57.88 58.84 2b4b h LEU 41 Cb 0.01 -0.12 -0.02 0.00 0.37 0.00 0.00 40.66 40.91 2b4b h LEU 41 CO -0.09 0.42 -0.05 0.25 -0.34 0.00 0.00 178.44 178.64 2b4b h LEU 42 N 0.74 0.82 0.31 2.25 5.85 -0.76 0.11 115.31 124.64 2b4b h LEU 42 Ca 0.26 -0.33 -0.02 0.00 0.84 0.00 0.00 57.88 58.63 2b4b h LEU 42 Cb 0.05 -0.22 0.00 0.00 0.37 0.00 0.00 40.66 40.86 2b4b h LEU 42 CO -0.12 0.96 -0.15 -0.33 -0.34 0.00 0.00 178.44 178.46 2b4b h GLU 43 N 0.66 -0.40 -0.08 1.25 5.08 -1.10 -3.02 114.58 116.98 2b4b h GLU 43 Ca 0.12 0.03 -0.08 0.00 -1.00 0.00 0.00 59.36 58.42 2b4b h GLU 43 Cb 0.57 0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.89 2b4b h GLU 43 CO 0.03 -0.07 -0.34 -0.44 -1.00 0.00 0.00 179.01 177.19 2b4b h ASP 44 N -0.92 0.15 0.81 1.42 5.19 -0.82 -3.25 116.42 119.00 2b4b h ASP 44 Ca -0.04 -0.05 0.00 0.00 -0.62 0.00 0.00 57.03 56.32 2b4b h ASP 44 Cb 0.51 -0.04 0.00 0.00 0.18 0.00 0.00 39.33 39.98 2b4b h ASP 44 CO 0.07 0.49 -0.78 1.23 -3.12 0.00 0.00 179.24 177.13 2b4b h GLY 45 N 1.09 0.00 -4.88 2.75 0.00 -0.89 -0.88 103.07 100.26 2b4b h GLY 45 Ca 0.02 0.00 -0.64 0.00 0.00 0.00 0.00 47.33 46.71 2b4b h GLY 45 CO 0.05 0.00 -0.55 -1.36 0.00 0.00 0.00 176.54 174.68 2b4b s PHE 46 N -3.22 3.36 -0.39 5.60 0.40 -1.14 -4.79 117.98 117.80 2b4b s PHE 46 Ca 0.04 0.20 -0.35 0.00 -0.60 0.00 0.00 56.93 56.22 2b4b s PHE 46 Cb 0.13 -1.72 -0.15 0.00 0.51 0.00 0.00 43.02 41.79 2b4b s PHE 46 CO 0.75 0.57 1.45 0.41 0.70 0.00 0.00 175.22 179.10 2b4b n GLY 47 N 0.64 0.02 0.00 4.36 0.00 -1.26 -4.40 105.19 104.54 2b4b n GLY 47 Ca -0.09 0.83 0.00 0.00 0.00 0.00 0.00 46.02 46.76 2b4b n GLY 47 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2b4b n GLU 48 N 4.46 0.00 -2.77 1.61 1.02 -1.26 -5.00 120.64 118.70 2b4b n GLU 48 Ca 0.33 0.00 -0.42 0.00 -0.02 0.00 0.00 57.16 57.05 2b4b n GLU 48 Cb -0.04 0.00 -0.04 0.00 -0.02 0.00 0.00 31.44 31.35 2b4b n GLU 48 CO 0.00 0.00 0.00 -1.01 1.18 0.00 0.00 177.13 177.30 2b4b s HIS 49 N -3.66 2.57 -0.22 -0.32 3.76 -1.26 -5.07 115.29 111.09 2b4b s HIS 49 Ca 0.00 -0.37 -0.29 0.00 -0.15 0.00 0.00 55.06 54.25 2b4b s HIS 49 Cb 0.00 -4.38 -0.01 0.00 1.11 0.00 0.00 32.58 29.30 2b4b s HIS 49 CO 0.00 -1.75 1.37 -1.25 -0.85 0.00 0.00 174.74 172.26 2b4b s PRO 50 N 4.54 4.03 0.05 8.40 0.04 -1.26 -4.95 135.00 145.84 2b4b s PRO 50 Ca 0.26 1.54 -0.21 0.00 0.04 0.00 0.00 61.00 62.64 2b4b s PRO 50 Cb -0.14 -3.87 -0.13 0.00 0.04 0.00 0.00 34.50 30.39 2b4b s PRO 50 CO 0.12 -0.98 1.42 0.35 0.04 0.00 0.00 177.00 177.94 2b4b h PHE 51 N 9.18 0.33 -3.81 0.56 -0.00 -1.49 -3.47 116.94 118.25 2b4b h PHE 51 Ca -0.29 -0.08 -0.44 0.00 -0.00 0.00 0.00 57.97 57.16 2b4b h PHE 51 Cb 1.12 -0.08 -0.14 0.00 -0.00 0.00 0.00 35.95 36.85 2b4b h PHE 51 CO 0.86 0.60 -0.54 1.52 -0.00 0.00 0.00 178.31 180.74 2b4b s TYR 52 N -4.65 1.65 -0.01 0.41 -0.85 -1.21 -4.85 117.35 107.84 2b4b s TYR 52 Ca -0.14 -1.38 0.03 0.00 -0.52 0.00 0.00 57.07 55.06 2b4b s TYR 52 Cb 0.05 -0.90 -0.00 0.00 0.38 0.00 0.00 41.96 41.49 2b4b s TYR 52 CO 0.73 -0.51 -0.09 -1.01 -1.52 0.00 0.00 175.55 173.15 2b4b s HIS 53 N -3.52 0.87 0.12 -3.49 3.76 -0.33 -4.58 115.29 108.12 2b4b s HIS 53 Ca 0.34 -0.18 0.10 0.00 -0.15 0.00 0.00 55.06 55.17 2b4b s HIS 53 Cb 0.04 -0.58 -0.04 0.00 1.11 0.00 0.00 32.58 33.12 2b4b s HIS 53 CO 0.18 -0.04 -0.24 0.00 -0.85 0.00 0.00 174.74 173.79 2b4b s LEU 55 N -2.00 2.32 0.03 0.00 1.43 -0.16 -1.33 118.68 118.97 2b4b s LEU 55 Ca 0.11 -0.73 0.02 0.00 -1.03 0.00 0.00 54.13 52.50 2b4b s LEU 55 Cb -0.10 -1.06 -0.02 0.00 0.03 0.00 0.00 46.19 45.04 2b4b s LEU 55 CO 0.05 0.12 -0.08 0.68 0.23 0.00 0.00 176.35 177.36 2b4b s VAL 56 N -1.15 0.54 -0.18 -1.59 -7.23 0.06 -1.62 120.40 109.22 2b4b s VAL 56 Ca 0.11 -0.84 -0.02 0.00 -1.81 0.00 0.00 61.98 59.42 2b4b s VAL 56 Cb -0.10 -0.56 -0.01 0.00 0.56 0.00 0.00 36.38 36.27 2b4b s VAL 56 CO 0.05 -0.22 -0.09 0.00 -0.31 0.00 0.00 175.10 174.54 2b4b s ALA 57 N -1.00 2.72 -0.05 1.32 0.00 -0.44 -1.85 121.76 122.46 2b4b s ALA 57 Ca -0.06 -1.07 0.05 0.00 0.00 0.00 0.00 51.96 50.88 2b4b s ALA 57 Cb -0.08 -1.49 -0.01 0.00 0.00 0.00 0.00 23.12 21.55 2b4b s ALA 57 CO 0.00 -0.17 -0.20 -1.83 0.00 0.00 0.00 175.76 173.56 2b4b s GLU 58 N 1.04 2.00 0.28 0.00 -1.05 -0.77 -0.41 118.70 119.79 2b4b s GLU 58 Ca -0.00 -0.71 0.06 0.00 -0.15 0.00 0.00 54.97 54.17 2b4b s GLU 58 Cb -0.15 -1.73 -0.02 0.00 -0.44 0.00 0.00 34.13 31.79 2b4b s GLU 58 CO -0.01 0.30 0.38 0.14 0.95 0.00 0.00 175.26 177.02 2b4b s VAL 59 N -0.06 4.65 0.77 1.83 -7.23 -0.64 -1.32 120.40 118.40 2b4b s VAL 59 Ca -0.03 -1.06 -0.11 0.00 -1.81 0.00 0.00 61.98 58.97 2b4b s VAL 59 Cb -0.12 -3.61 0.05 0.00 0.56 0.00 0.00 36.38 33.26 2b4b s VAL 59 CO 0.02 -0.26 1.08 -2.16 -0.31 0.00 0.00 175.10 173.48 2b4b s PRO 60 N -4.04 2.31 0.24 4.82 0.04 -1.26 -4.77 135.00 132.34 2b4b s PRO 60 Ca 0.38 0.78 -0.09 0.00 0.04 0.00 0.00 61.00 62.12 2b4b s PRO 60 Cb -0.09 -1.93 0.37 0.00 0.04 0.00 0.00 34.50 32.89 2b4b s PRO 60 CO 0.29 -1.50 1.38 1.63 0.04 0.00 0.00 177.00 178.85 2b4b n LYS 61 N -3.37 -0.10 0.31 4.56 4.01 -1.26 -1.13 118.16 121.19 2b4b n LYS 61 Ca 0.07 1.38 0.14 0.00 -0.51 0.00 0.00 58.31 59.39 2b4b n LYS 61 Cb 0.55 -2.06 0.76 0.00 -0.51 0.00 0.00 35.03 33.77 2b4b n LYS 61 CO 0.00 0.00 0.00 0.93 -1.11 0.00 0.00 177.40 177.22 2b4b h GLU 62 N 0.00 0.00 0.00 1.97 3.07 -2.04 -2.01 114.58 115.57 2b4b h GLU 62 Ca 0.41 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.27 2b4b h GLU 62 Cb 0.63 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.54 2b4b h GLU 62 CO -0.91 0.00 -0.01 0.72 -1.40 0.00 0.00 179.01 177.41 2b4b n HIS 63 N -2.78 0.00 -0.57 4.33 8.25 -0.28 -5.07 115.22 119.10 2b4b n HIS 63 Ca -0.02 -0.47 -0.30 0.00 -0.26 0.00 0.00 57.72 56.68 2b4b n HIS 63 Cb 0.37 -0.05 0.20 0.00 1.12 0.00 0.00 29.99 31.63 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 -0.52 -1.72 -2.77 4.41 7.02 -0.76 -4.95 117.44 118.15 2b4b n TRP 64 Ca 0.02 -0.03 -0.29 0.00 -1.02 0.00 0.00 57.50 56.18 2b4b n TRP 64 Cb 0.35 -1.55 -0.02 0.00 -2.42 0.00 0.00 31.31 27.68 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 -2.24 4.85 0.54 -0.99 -4.23 0.17 -4.88 115.64 108.87 2b4b s THR 65 Ca 0.57 0.40 0.43 0.00 -1.18 0.00 0.00 61.69 61.91 2b4b s THR 65 Cb -0.14 -3.79 0.64 0.00 1.34 0.00 0.00 72.50 70.54 2b4b s THR 65 CO 0.62 -0.66 1.69 -0.65 -0.54 0.00 0.00 174.62 175.07 2b4b h PRO 66 N 0.80 0.01 -0.50 3.99 0.11 -1.93 1.62 132.00 136.10 2b4b h PRO 66 Ca -0.47 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.64 2b4b h PRO 66 Cb 1.20 -0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.30 2b4b h PRO 66 CO 0.63 0.01 0.00 0.39 -0.21 0.00 0.00 178.00 178.82 2b4b n GLU 67 N -4.10 2.26 -0.91 1.05 4.71 -1.26 -4.90 120.64 117.49 2b4b n GLU 67 Ca 0.35 -1.54 0.00 0.00 -0.01 0.00 0.00 57.16 55.97 2b4b n GLU 67 Cb 1.62 -1.48 0.00 0.00 -1.01 0.00 0.00 31.44 30.57 2b4b n GLU 67 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 2b4b n GLY 68 N 0.93 0.77 3.72 0.62 0.00 0.55 -4.98 105.19 106.81 2b4b n GLY 68 Ca 0.14 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.74 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 -3.26 3.15 -0.17 1.61 3.76 -1.25 -4.63 115.29 114.50 2b4b s HIS 69 Ca 0.00 0.90 0.17 0.00 -0.15 0.00 0.00 55.06 55.97 2b4b s HIS 69 Cb 0.00 -3.78 -0.25 0.00 1.11 0.00 0.00 32.58 29.67 2b4b s HIS 69 CO 0.00 -2.70 0.20 -1.13 -0.85 0.00 0.00 174.74 170.26 2b4b n SER 70 N 3.48 0.21 -4.62 1.40 3.41 -1.26 -0.66 113.62 115.58 2b4b n SER 70 Ca 0.11 0.09 -0.43 0.00 -0.26 0.00 0.00 58.87 58.38 2b4b n SER 70 Cb 0.41 0.75 -0.02 0.00 -0.26 0.00 0.00 64.21 65.09 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 -2.51 3.99 0.00 -1.33 1.01 -1.26 -1.62 121.20 119.47 2b4b s ILE 71 Ca -0.09 1.09 0.00 0.00 0.00 0.00 0.00 60.65 61.65 2b4b s ILE 71 Cb 0.06 -4.08 0.00 0.00 0.01 0.00 0.00 42.46 38.45 2b4b s ILE 71 CO 0.83 -0.52 0.64 1.33 0.00 0.00 0.00 174.94 177.22 2b4b n VAL 72 N 6.50 0.29 -3.76 2.92 0.24 0.46 -4.99 118.33 119.99 2b4b n VAL 72 Ca 0.16 -0.64 -0.09 0.00 -2.04 0.00 0.00 64.34 61.73 2b4b n VAL 72 Cb 0.47 0.86 -0.04 0.00 -1.47 0.00 0.00 33.84 33.66 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 -0.29 -0.07 0.02 7.63 0.00 -1.08 -4.56 107.32 108.97 2b4b s GLY 73 Ca 0.00 -0.25 -0.29 0.00 0.00 0.00 0.00 44.72 44.19 2b4b s GLY 73 CO 0.00 -0.24 0.99 -0.11 0.00 0.00 0.00 173.10 173.74 2b4b s PHE 74 N -3.89 -0.23 0.00 1.90 -0.71 -0.58 -1.33 117.98 113.15 2b4b s PHE 74 Ca 0.10 0.06 0.00 0.00 -1.04 0.00 0.00 56.93 56.05 2b4b s PHE 74 Cb -0.02 0.57 0.00 0.00 -1.21 0.00 0.00 43.02 42.36 2b4b s PHE 74 CO -0.01 -0.56 0.00 0.00 -1.34 0.00 0.00 175.22 173.31 2b4b n ALA 75 N -0.31 0.00 0.00 1.99 0.00 -0.64 -1.12 120.51 120.43 2b4b n ALA 75 Ca -0.07 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.37 2b4b n ALA 75 Cb 0.61 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.06 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 0.00 0.00 -3.97 0.00 0.18 -0.02 -0.99 117.16 112.36 2b4b n TYR 77 Ca 0.00 0.00 -0.09 0.00 1.88 0.00 0.00 57.90 59.69 2b4b n TYR 77 Cb 0.00 0.00 -0.04 0.00 -0.38 0.00 0.00 39.34 38.92 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 -2.00 0.24 -0.06 -3.48 -0.85 -0.25 -1.19 117.35 109.76 2b4b s TYR 78 Ca 0.00 -0.63 -0.08 0.00 -0.52 0.00 0.00 57.07 55.84 2b4b s TYR 78 Cb 0.00 0.31 -0.05 0.00 0.38 0.00 0.00 41.96 42.60 2b4b s TYR 78 CO 0.00 -1.05 0.23 -0.06 -1.52 0.00 0.00 175.55 173.14 2b4b s PHE 79 N -3.98 3.62 0.25 -3.49 0.08 -1.26 0.97 117.98 114.16 2b4b s PHE 79 Ca 0.20 0.62 0.02 0.00 0.12 0.00 0.00 56.93 57.89 2b4b s PHE 79 Cb -0.02 -2.01 -0.01 0.00 -0.57 0.00 0.00 43.02 40.41 2b4b s PHE 79 CO 0.09 0.68 0.08 0.25 -0.10 0.00 0.00 175.22 176.22 2b4b n THR 80 N 1.66 0.00 -3.93 0.64 -2.24 -0.08 -4.89 114.28 105.43 2b4b n THR 80 Ca -0.16 -1.41 -0.12 0.00 -2.27 0.00 0.00 64.05 60.09 2b4b n THR 80 Cb 0.54 0.48 -0.13 0.00 -2.10 0.00 0.00 70.33 69.12 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 -2.41 0.13 -0.14 4.78 6.14 -1.26 -0.79 117.35 123.79 2b4b s TYR 81 Ca 0.11 -0.12 0.00 0.00 0.64 0.00 0.00 57.07 57.70 2b4b s TYR 81 Cb 0.01 -0.09 0.02 0.00 0.42 0.00 0.00 41.96 42.32 2b4b s TYR 81 CO 0.08 -0.04 -0.13 0.34 0.64 0.00 0.00 175.55 176.44 2b4b s ASP 82 N -0.33 2.62 0.64 4.32 -1.08 -0.30 -4.95 116.67 117.60 2b4b s ASP 82 Ca -0.03 -0.46 0.32 0.00 -0.52 0.00 0.00 52.55 51.86 2b4b s ASP 82 Cb -0.02 -1.14 1.77 0.00 -1.46 0.00 0.00 42.92 42.07 2b4b s ASP 82 CO -0.00 -0.06 2.04 1.55 0.52 0.00 0.00 175.17 179.22 2b4b h PRO 83 N 8.04 0.00 0.01 4.34 0.13 -2.01 0.71 132.00 143.22 2b4b h PRO 83 Ca -0.37 0.00 -0.08 0.00 -0.87 0.00 0.00 66.00 64.68 2b4b h PRO 83 Cb 1.14 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.26 2b4b h PRO 83 CO 0.51 0.00 -0.40 -1.49 -0.23 0.00 0.00 178.00 176.39 2b4b h TRP 84 N 0.00 0.04 -0.02 1.56 -0.00 -2.05 -3.41 115.95 112.07 2b4b h TRP 84 Ca 0.04 -0.03 0.00 0.00 -0.00 0.00 0.00 58.89 58.90 2b4b h TRP 84 Cb 0.56 -0.00 0.00 0.00 -0.00 0.00 0.00 29.16 29.72 2b4b h TRP 84 CO 0.00 1.16 0.00 0.44 -0.00 0.00 0.00 178.44 180.04 2b4b n ILE 85 N -4.52 0.20 -2.54 1.49 -5.35 -1.07 -5.13 119.36 102.45 2b4b n ILE 85 Ca -0.16 -0.60 0.00 0.00 -0.27 0.00 0.00 62.75 61.72 2b4b n ILE 85 Cb 0.56 0.94 0.00 0.00 -1.74 0.00 0.00 39.64 39.40 2b4b n ILE 85 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2b4b n GLY 86 N 0.06 0.14 3.68 3.28 0.00 0.25 -4.69 105.19 107.90 2b4b n GLY 86 Ca 0.02 -1.29 -0.46 0.00 0.00 0.00 0.00 46.02 44.29 2b4b n GLY 86 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 2b4b n LYS 87 N 3.55 2.33 -4.41 1.61 4.81 -1.26 -1.15 118.16 123.64 2b4b n LYS 87 Ca 0.00 0.85 -0.27 0.00 -0.87 0.00 0.00 58.31 58.02 2b4b n LYS 87 Cb 0.00 -2.69 -0.11 0.00 0.02 0.00 0.00 35.03 32.25 2b4b n LYS 87 CO 0.00 0.00 0.00 -0.51 1.17 0.00 0.00 177.40 178.06 2b4b s LEU 88 N 2.80 2.53 -0.19 3.14 1.43 0.03 -1.59 118.68 126.83 2b4b s LEU 88 Ca 0.86 -0.84 -0.10 0.00 -1.03 0.00 0.00 54.13 53.02 2b4b s LEU 88 Cb -0.63 -1.24 -0.05 0.00 0.03 0.00 0.00 46.19 44.30 2b4b s LEU 88 CO 0.44 0.11 0.15 -0.22 0.23 0.00 0.00 176.35 177.06 2b4b s LEU 89 N -2.77 4.22 -0.19 1.79 0.20 -0.49 -0.90 118.68 120.54 2b4b s LEU 89 Ca 0.22 0.28 -0.02 0.00 0.69 0.00 0.00 54.13 55.30 2b4b s LEU 89 Cb -0.08 -2.13 -0.01 0.00 -0.43 0.00 0.00 46.19 43.55 2b4b s LEU 89 CO 0.11 0.17 -0.09 -0.47 -0.29 0.00 0.00 176.35 175.79 2b4b s TYR 90 N 0.34 2.90 -0.47 5.38 5.04 0.27 -1.36 117.35 129.46 2b4b s TYR 90 Ca 0.09 -0.98 -0.19 0.00 -2.44 0.00 0.00 57.07 53.55 2b4b s TYR 90 Cb -0.11 -2.01 0.04 0.00 0.35 0.00 0.00 41.96 40.22 2b4b s TYR 90 CO -0.01 -0.51 0.57 -1.17 -1.34 0.00 0.00 175.55 173.09 2b4b s LEU 91 N 1.18 4.86 -0.10 6.97 2.96 0.04 -1.09 118.68 133.50 2b4b s LEU 91 Ca 0.02 -0.74 -0.26 0.00 -0.22 0.00 0.00 54.13 52.93 2b4b s LEU 91 Cb -0.14 -2.48 -0.27 0.00 0.50 0.00 0.00 46.19 43.80 2b4b s LEU 91 CO -0.03 -0.77 0.87 -0.08 -1.32 0.00 0.00 176.35 175.02 2b4b h GLU 92 N 8.89 0.11 -4.12 1.98 4.57 -1.91 -3.42 114.58 120.68 2b4b h GLU 92 Ca -0.27 -0.16 -0.24 0.00 -1.18 0.00 0.00 59.36 57.51 2b4b h GLU 92 Cb 1.10 0.06 -0.24 0.00 -0.16 0.00 0.00 28.75 29.51 2b4b h GLU 92 CO 0.90 1.03 -0.72 -0.51 -1.18 0.00 0.00 179.01 178.52 2b4b s ASP 93 N -6.41 0.40 -0.21 1.04 1.01 -1.26 -4.94 116.67 106.31 2b4b s ASP 93 Ca -0.17 -0.31 -0.08 0.00 0.71 0.00 0.00 52.55 52.70 2b4b s ASP 93 Cb -0.01 0.03 0.09 0.00 1.01 0.00 0.00 42.92 44.04 2b4b s ASP 93 CO 0.73 -0.13 0.45 0.12 0.21 0.00 0.00 175.17 176.55 2b4b s PHE 94 N -0.83 -0.86 -0.11 4.23 5.36 -1.26 -4.15 117.98 120.36 2b4b s PHE 94 Ca -0.07 1.62 -0.18 0.00 -0.96 0.00 0.00 56.93 57.34 2b4b s PHE 94 Cb -0.06 0.37 0.04 0.00 -0.34 0.00 0.00 43.02 43.03 2b4b s PHE 94 CO -0.00 -0.50 0.46 0.12 -1.46 0.00 0.00 175.22 173.84 2b4b s PHE 95 N 2.57 -0.45 0.00 10.12 5.36 -0.28 -5.01 117.98 130.29 2b4b s PHE 95 Ca -0.03 0.97 0.00 0.00 -0.96 0.00 0.00 56.93 56.92 2b4b s PHE 95 Cb -0.12 0.19 0.00 0.00 -0.34 0.00 0.00 43.02 42.75 2b4b s PHE 95 CO -0.14 -0.35 0.00 0.28 -1.46 0.00 0.00 175.22 173.56 2b4b n VAL 96 N 2.10 0.00 -0.08 3.12 0.31 -1.26 -1.53 118.33 120.99 2b4b n VAL 96 Ca -0.17 0.00 -0.14 0.00 -0.01 0.00 0.00 64.34 64.03 2b4b n VAL 96 Cb 0.57 0.00 -0.09 0.00 -0.91 0.00 0.00 33.84 33.41 2b4b n VAL 96 CO 0.00 0.00 0.00 -1.28 -1.32 0.00 0.00 176.83 174.23 2b4b h SER 98 N 0.00 0.00 0.73 4.52 0.87 -1.99 -3.44 113.55 114.24 2b4b h SER 98 Ca 0.00 -0.51 -0.00 0.00 -1.23 0.00 0.00 61.79 60.05 2b4b h SER 98 Cb 0.00 0.00 -0.00 0.00 -0.44 0.00 0.00 62.40 61.96 2b4b h SER 98 CO 0.00 1.10 -0.01 0.44 -0.53 0.00 0.00 176.83 177.82 2b4b h ASP 99 N -1.00 0.00 -0.67 6.23 3.45 -2.05 -2.97 116.42 119.41 2b4b h ASP 99 Ca -0.14 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.32 2b4b h ASP 99 Cb 0.91 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 39.68 2b4b h ASP 99 CO -0.09 0.01 0.00 -1.22 -1.57 0.00 0.00 179.24 176.38 2b4b n TYR 100 N -3.12 0.90 -2.20 4.55 4.01 -1.26 -4.98 117.16 115.06 2b4b n TYR 100 Ca -0.00 -0.45 -0.26 0.00 -0.16 0.00 0.00 57.90 57.02 2b4b n TYR 100 Cb 0.25 0.00 0.06 0.00 -0.31 0.00 0.00 39.34 39.34 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 -1.10 2.35 0.00 -0.72 0.52 -1.12 -4.14 118.95 114.74 2b4b s ARG 101 Ca 0.46 -0.15 0.00 0.00 -0.52 0.00 0.00 55.73 55.52 2b4b s ARG 101 Cb 0.24 -2.17 0.00 0.00 0.52 0.00 0.00 34.95 33.54 2b4b s ARG 101 CO 0.31 -1.15 0.00 0.41 0.02 0.00 0.00 175.30 174.89 2b4b n GLY 102 N -2.89 0.28 0.11 -3.53 0.00 -1.26 -4.80 105.19 93.09 2b4b n GLY 102 Ca 0.07 0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.12 2b4b n GLY 102 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 173.32 174.06 2b4b h PHE 103 N 0.00 0.00 0.00 1.61 0.04 -1.96 -3.48 116.94 113.16 2b4b h PHE 103 Ca 0.00 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.77 2b4b h PHE 103 Cb 0.36 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.51 2b4b h PHE 103 CO 0.22 0.45 0.00 0.41 -0.60 0.00 0.00 178.31 178.80 2b4b n GLY 104 N 1.32 0.87 0.06 -1.45 0.00 -1.26 -5.02 105.19 99.71 2b4b n GLY 104 Ca -0.05 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.85 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 0.94 -0.77 -0.61 2.04 -1.92 -2.36 117.51 114.83 2b4b h ILE 105 Ca 0.00 0.00 0.04 0.00 1.00 0.00 0.00 64.86 65.90 2b4b h ILE 105 Cb 0.00 0.94 -0.04 0.00 -0.74 0.00 0.00 36.82 36.98 2b4b h ILE 105 CO 0.00 0.00 0.51 1.23 0.00 0.00 0.00 178.15 179.89 2b4b h GLY 106 N -0.01 1.08 1.08 5.37 0.00 -1.95 -1.81 103.07 106.83 2b4b h GLY 106 Ca 0.02 -0.37 -0.02 0.00 0.00 0.00 0.00 47.33 46.96 2b4b h GLY 106 CO -0.05 0.32 0.45 1.76 0.00 0.00 0.00 176.54 179.02 2b4b h SER 107 N 0.94 1.07 -0.43 0.19 0.02 -1.87 -1.31 113.55 112.17 2b4b h SER 107 Ca 0.31 -0.10 -0.08 0.00 -0.84 0.00 0.00 61.79 61.08 2b4b h SER 107 Cb 0.06 -0.27 -0.02 0.00 0.14 0.00 0.00 62.40 62.30 2b4b h SER 107 CO -0.09 0.87 -0.02 -0.33 -1.14 0.00 0.00 176.83 176.12 2b4b h GLU 108 N 1.20 0.85 -0.42 3.45 4.39 -0.88 -0.12 114.58 123.05 2b4b h GLU 108 Ca 0.30 -0.25 -0.09 0.00 0.34 0.00 0.00 59.36 59.66 2b4b h GLU 108 Cb 0.05 -0.09 -0.01 0.00 -0.10 0.00 0.00 28.75 28.60 2b4b h GLU 108 CO -0.05 0.87 -0.09 0.82 -1.16 0.00 0.00 179.01 179.40 2b4b h ILE 109 N 0.78 1.27 0.00 3.13 2.04 -0.85 -0.62 117.51 123.27 2b4b h ILE 109 Ca 0.15 -1.18 -0.06 0.00 1.00 0.00 0.00 64.86 64.76 2b4b h ILE 109 Cb 0.51 1.17 -0.01 0.00 -0.74 0.00 0.00 36.82 37.75 2b4b h ILE 109 CO 0.03 0.40 -0.28 -0.07 0.00 0.00 0.00 178.15 178.23 2b4b h LEU 110 N 0.63 0.00 -0.15 1.44 3.38 -0.97 0.19 115.31 119.84 2b4b h LEU 110 Ca 0.11 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 58.02 2b4b h LEU 110 Cb 0.62 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.36 2b4b h LEU 110 CO 0.04 0.28 -0.14 0.50 0.09 0.00 0.00 178.44 179.21 2b4b h LYS 111 N 0.00 0.35 -0.72 1.13 3.64 -0.48 -1.36 116.57 119.13 2b4b h LYS 111 Ca -0.00 -0.18 -0.04 0.00 -1.27 0.00 0.00 60.65 59.16 2b4b h LYS 111 Cb 0.51 0.01 -0.03 0.00 -0.41 0.00 0.00 32.23 32.30 2b4b h LYS 111 CO 0.04 0.73 0.30 -0.97 -2.27 0.00 0.00 179.45 177.28 2b4b h ASN 112 N -0.02 0.99 -0.78 4.20 -1.24 -0.69 -2.05 115.58 115.99 2b4b h ASN 112 Ca 0.02 -0.17 -0.01 0.00 0.71 0.00 0.00 56.30 56.86 2b4b h ASN 112 Cb 0.66 -0.26 -0.04 0.00 0.73 0.00 0.00 38.32 39.42 2b4b h ASN 112 CO 0.03 0.88 0.45 -0.07 -1.29 0.00 0.00 177.43 177.44 2b4b h LEU 113 N 1.03 0.96 -1.01 0.34 3.38 -0.94 -0.72 115.31 118.35 2b4b h LEU 113 Ca 0.24 -0.07 -0.07 0.00 0.09 0.00 0.00 57.88 58.07 2b4b h LEU 113 Cb 0.20 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.68 2b4b h LEU 113 CO -0.02 0.76 -0.03 0.28 0.09 0.00 0.00 178.44 179.51 2b4b h SER 114 N 1.09 0.65 0.13 -0.43 0.02 -0.70 -0.24 113.55 114.07 2b4b h SER 114 Ca 0.28 -0.15 -0.18 0.00 -0.84 0.00 0.00 61.79 60.90 2b4b h SER 114 Cb -0.01 -0.17 -0.00 0.00 0.14 0.00 0.00 62.40 62.36 2b4b h SER 114 CO -0.05 0.74 -0.66 1.56 -1.14 0.00 0.00 176.83 177.28 2b4b h GLN 115 N 0.63 0.49 -0.58 3.45 4.20 -0.93 -2.77 115.11 119.61 2b4b h GLN 115 Ca 0.12 -0.36 -0.00 0.00 0.06 0.00 0.00 58.65 58.47 2b4b h GLN 115 Cb 0.45 0.06 -0.03 0.00 0.30 0.00 0.00 27.48 28.26 2b4b h GLN 115 CO 0.02 0.99 0.35 0.28 -0.67 0.00 0.00 178.83 179.80 2b4b h VAL 116 N 0.36 1.17 0.00 -0.54 2.07 -0.70 0.19 116.25 118.80 2b4b h VAL 116 Ca -0.02 -0.38 0.00 0.00 0.82 0.00 0.00 66.70 67.12 2b4b h VAL 116 Cb 1.23 0.38 0.00 0.00 -1.52 0.00 0.00 31.29 31.37 2b4b h VAL 116 CO 0.12 0.18 0.00 0.00 0.02 0.00 0.00 177.57 177.89 2b4b n ALA 117 N -2.28 1.06 0.00 1.67 0.00 -0.14 -0.95 120.51 119.87 2b4b n ALA 117 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.48 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 -2.13 0.00 0.00 0.00 177.50 175.37 2b4b n ARG 119 N 0.46 0.00 -0.16 0.00 0.63 0.05 -0.38 116.66 117.27 2b4b n ARG 119 Ca 0.00 0.00 0.04 0.00 -0.92 0.00 0.00 57.85 56.97 2b4b n ARG 119 Cb 0.01 0.00 0.13 0.00 0.45 0.00 0.00 32.46 33.05 2b4b n ARG 119 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 2b4b n ARG 121 N 0.32 -4.82 -3.48 0.00 1.74 -0.66 -4.98 116.66 104.78 2b4b n ARG 121 Ca 0.10 0.62 -0.38 0.00 -0.77 0.00 0.00 57.85 57.42 2b4b n ARG 121 Cb 0.26 -5.17 -0.06 0.00 -1.02 0.00 0.00 32.46 26.47 2b4b n ARG 121 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2b4b n SER 123 N 2.55 0.29 0.00 0.00 7.64 -0.62 -4.94 113.62 118.54 2b4b n SER 123 Ca -0.12 0.13 0.00 0.00 1.01 0.00 0.00 58.87 59.89 2b4b n SER 123 Cb 0.52 -0.12 0.00 0.00 -1.01 0.00 0.00 64.21 63.60 2b4b n SER 123 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 2b4b n SER 124 N -1.55 3.42 -3.58 6.43 2.88 -1.26 -5.08 113.62 114.87 2b4b n SER 124 Ca 0.06 0.00 -0.08 0.00 -1.33 0.00 0.00 58.87 57.53 2b4b n SER 124 Cb 0.34 0.00 -0.04 0.00 -0.75 0.00 0.00 64.21 63.76 2b4b n SER 124 CO 0.00 0.00 0.00 -1.00 -1.23 0.00 0.00 175.04 172.81 2b4b s HIS 126 N 0.12 -0.26 0.00 0.66 3.76 -0.46 -1.40 115.29 117.72 2b4b s HIS 126 Ca 0.00 0.37 -0.29 0.00 -0.15 0.00 0.00 55.06 54.99 2b4b s HIS 126 Cb 0.00 0.48 0.10 0.00 1.11 0.00 0.00 32.58 34.27 2b4b s HIS 126 CO 0.00 -0.29 0.95 -0.59 -0.85 0.00 0.00 174.74 173.97 2b4b s PHE 127 N -1.58 -0.27 0.08 1.40 -0.12 -1.26 -0.78 117.98 115.45 2b4b s PHE 127 Ca 0.03 0.12 0.04 0.00 -0.05 0.00 0.00 56.93 57.06 2b4b s PHE 127 Cb -0.01 0.55 -0.04 0.00 -0.63 0.00 0.00 43.02 42.90 2b4b s PHE 127 CO -0.03 -0.54 0.06 -0.51 -0.05 0.00 0.00 175.22 174.15 2b4b s LEU 128 N -2.55 3.71 -0.00 -1.99 1.43 -1.26 -5.06 118.68 112.95 2b4b s LEU 128 Ca 0.07 -0.06 0.00 0.00 -1.03 0.00 0.00 54.13 53.12 2b4b s LEU 128 Cb -0.01 -2.40 -0.00 0.00 0.03 0.00 0.00 46.19 43.81 2b4b s LEU 128 CO -0.06 0.17 -0.01 -0.69 0.23 0.00 0.00 176.35 175.98 2b4b s VAL 129 N -1.37 0.12 0.31 -1.59 1.01 -1.26 -5.10 120.40 112.52 2b4b s VAL 129 Ca 0.28 -0.06 -0.29 0.00 0.00 0.00 0.00 61.98 61.91 2b4b s VAL 129 Cb -0.12 -0.11 -0.10 0.00 0.00 0.00 0.00 36.38 36.05 2b4b s VAL 129 CO 0.21 0.04 1.33 0.00 0.00 0.00 0.00 175.10 176.68 2b4b s ALA 130 N -0.01 3.52 0.29 5.51 0.00 -1.26 -4.92 121.76 124.90 2b4b s ALA 130 Ca 0.00 1.27 0.05 0.00 0.00 0.00 0.00 51.96 53.28 2b4b s ALA 130 Cb -0.01 -3.50 0.75 0.00 0.00 0.00 0.00 23.12 20.37 2b4b s ALA 130 CO -0.00 -0.67 1.70 1.49 0.00 0.00 0.00 175.76 178.28 2b4b h GLU 131 N 3.74 0.40 -0.11 0.00 4.81 -2.05 -1.57 114.58 119.80 2b4b h GLU 131 Ca -0.48 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 58.72 2b4b h GLU 131 Cb 1.22 -0.09 0.00 0.00 0.63 0.00 0.00 28.75 30.51 2b4b h GLU 131 CO 0.68 0.27 0.00 -2.67 -0.73 0.00 0.00 179.01 176.56 2b4b n TRP 132 N -5.03 0.13 -1.51 0.92 2.14 -1.26 -4.64 117.44 108.20 2b4b n TRP 132 Ca 0.23 -0.07 -0.40 0.00 2.07 0.00 0.00 57.50 59.33 2b4b n TRP 132 Cb 0.67 0.00 -0.02 0.00 -0.81 0.00 0.00 31.31 31.15 2b4b n TRP 132 CO 0.00 0.00 0.00 -1.71 2.07 0.00 0.00 177.69 178.05 2b4b n ASN 133 N 0.37 7.67 -0.25 -0.67 4.05 -0.59 -4.77 115.26 121.07 2b4b n ASN 133 Ca 0.17 -2.71 0.01 0.00 0.45 0.00 0.00 54.58 52.50 2b4b n ASN 133 Cb 0.37 -1.55 0.09 0.00 1.23 0.00 0.00 39.78 39.91 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 5.16 0.01 -0.36 1.20 4.22 -1.84 0.36 114.58 123.32 2b4b h GLU 134 Ca 0.78 -0.00 0.06 0.00 0.08 0.00 0.00 59.36 60.29 2b4b h GLU 134 Cb 0.36 -0.00 -0.06 0.00 0.50 0.00 0.00 28.75 29.55 2b4b h GLU 134 CO 1.76 0.00 0.01 -1.35 -2.18 0.00 0.00 179.01 177.26 2b4b h PRO 135 N 0.01 0.11 -0.06 0.92 0.11 -2.00 -1.64 132.00 129.45 2b4b h PRO 135 Ca 0.35 -0.01 -0.19 0.00 0.11 0.00 0.00 66.00 66.26 2b4b h PRO 135 Cb 0.54 -0.02 -0.00 0.00 0.11 0.00 0.00 31.00 31.62 2b4b h PRO 135 CO -0.73 0.07 -0.77 0.77 -0.21 0.00 0.00 178.00 177.13 2b4b h SER 136 N 0.11 0.46 -0.80 -2.05 0.02 -1.79 -1.53 113.55 107.97 2b4b h SER 136 Ca 0.17 -0.32 0.05 0.00 -0.84 0.00 0.00 61.79 60.86 2b4b h SER 136 Cb 0.24 -0.14 -0.05 0.00 0.14 0.00 0.00 62.40 62.59 2b4b h SER 136 CO -0.28 1.07 0.53 0.40 -1.14 0.00 0.00 176.83 177.40 2b4b h ILE 137 N 0.25 1.08 0.18 3.27 2.04 -0.59 -1.66 117.51 122.07 2b4b h ILE 137 Ca -0.04 -0.32 -0.31 0.00 1.00 0.00 0.00 64.86 65.19 2b4b h ILE 137 Cb 1.36 0.07 0.03 0.00 -0.74 0.00 0.00 36.82 37.54 2b4b h ILE 137 CO 0.13 0.17 -1.32 0.78 0.00 0.00 0.00 178.15 177.91 2b4b h ASN 138 N 0.93 0.85 -0.71 1.72 2.35 -1.16 -2.22 115.58 117.34 2b4b h ASN 138 Ca 0.33 -0.87 0.12 0.00 -0.55 0.00 0.00 56.30 55.33 2b4b h ASN 138 Cb 0.14 -0.27 -0.08 0.00 0.05 0.00 0.00 38.32 38.16 2b4b h ASN 138 CO -0.11 1.65 0.30 0.15 -1.65 0.00 0.00 177.43 177.76 2b4b h PHE 139 N 0.19 0.52 -0.08 1.19 3.04 -0.92 0.44 116.94 121.31 2b4b h PHE 139 Ca -0.22 0.03 -0.10 0.00 3.98 0.00 0.00 57.97 61.66 2b4b h PHE 139 Cb 2.01 -0.12 0.00 0.00 2.56 0.00 0.00 35.95 40.40 2b4b h PHE 139 CO 0.13 0.12 -0.36 1.88 -2.02 0.00 0.00 178.31 178.05 2b4b h TYR 140 N 0.48 0.51 -0.66 0.41 0.05 -1.35 -3.15 116.97 113.27 2b4b h TYR 140 Ca 0.37 -0.22 0.00 0.00 0.05 0.00 0.00 58.73 58.93 2b4b h TYR 140 Cb 0.49 -0.08 -0.03 0.00 1.01 0.00 0.00 36.73 38.12 2b4b h TYR 140 CO -0.15 0.97 0.41 0.87 -1.05 0.00 0.00 178.16 179.21 2b4b h LYS 141 N -0.09 0.88 0.00 4.88 1.57 -0.95 0.39 116.57 123.24 2b4b h LYS 141 Ca -0.02 -0.07 0.00 0.00 -1.87 0.00 0.00 60.65 58.69 2b4b h LYS 141 Cb 1.01 -0.19 0.00 0.00 0.08 0.00 0.00 32.23 33.13 2b4b h LYS 141 CO 0.08 0.60 0.00 0.00 -0.57 0.00 0.00 179.45 179.56 2b4b h ARG 142 N 0.90 0.00 -0.37 3.15 -0.00 -0.11 -0.93 114.38 117.03 2b4b h ARG 142 Ca 0.24 0.00 -0.15 0.00 -0.50 0.00 0.00 59.98 59.56 2b4b h ARG 142 Cb -0.06 0.00 -0.09 0.00 0.00 0.00 0.00 29.97 29.82 2b4b h ARG 142 CO -0.05 0.00 -0.01 0.54 0.00 0.00 0.00 179.97 180.45 2b4b n ARG 143 N -2.52 2.15 -0.68 0.04 1.74 0.01 -4.94 116.66 112.47 2b4b n ARG 143 Ca -0.00 -3.08 0.00 0.00 -0.77 0.00 0.00 57.85 54.00 2b4b n ARG 143 Cb 0.13 -1.85 0.00 0.00 -1.02 0.00 0.00 32.46 29.73 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 -0.97 0.63 3.83 -0.13 0.00 -0.35 -5.05 105.19 103.16 2b4b n GLY 144 Ca 0.32 -0.26 -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 3.03 0.09 4.61 0.00 -0.53 -4.97 121.76 121.98 2b4b s ALA 145 Ca 0.00 0.30 0.07 0.00 0.00 0.00 0.00 51.96 52.33 2b4b s ALA 145 Cb 0.00 -3.15 -0.03 0.00 0.00 0.00 0.00 23.12 19.94 2b4b s ALA 145 CO 0.00 -0.14 -0.18 -1.54 0.00 0.00 0.00 175.76 173.90 2b4b s SER 146 N -2.65 2.20 -0.75 0.00 1.04 -1.26 -4.45 113.70 107.82 2b4b s SER 146 Ca 0.61 -0.66 -0.21 0.00 0.48 0.00 0.00 55.95 56.17 2b4b s SER 146 Cb -0.10 -0.10 0.09 0.00 0.10 0.00 0.00 66.02 66.01 2b4b s SER 146 CO 0.24 0.00 1.00 -0.62 0.98 0.00 0.00 173.24 174.84 2b4b s ASP 147 N -1.85 6.33 0.58 7.02 -1.08 -1.26 -4.88 116.67 121.53 2b4b s ASP 147 Ca 0.03 -1.40 0.29 0.00 -0.52 0.00 0.00 52.55 50.95 2b4b s ASP 147 Cb -0.10 -2.40 1.75 0.00 -1.46 0.00 0.00 42.92 40.71 2b4b s ASP 147 CO 0.03 -1.28 2.23 -0.07 0.52 0.00 0.00 175.17 176.60 2b4b h LEU 148 N 10.92 0.00 -0.95 -1.34 3.38 -1.97 -0.39 115.31 124.96 2b4b h LEU 148 Ca -0.13 0.00 -0.10 0.00 0.09 0.00 0.00 57.88 57.74 2b4b h LEU 148 Cb 1.06 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.79 2b4b h LEU 148 CO 1.15 0.02 -0.49 0.28 0.09 0.00 0.00 178.44 179.49 2b4b h SER 149 N 0.00 0.00 0.00 -0.43 0.02 -1.90 -0.57 113.55 110.67 2b4b h SER 149 Ca -0.00 0.00 -0.10 0.00 -0.84 0.00 0.00 61.79 60.85 2b4b h SER 149 Cb 0.04 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 62.57 2b4b h SER 149 CO 0.00 0.49 -0.64 0.28 -1.14 0.00 0.00 176.83 175.83 2b4b h SER 150 N 0.00 0.00 -0.33 3.07 0.02 -1.63 -2.80 113.55 111.88 2b4b h SER 150 Ca -0.00 -0.55 -0.02 0.00 -0.84 0.00 0.00 61.79 60.37 2b4b h SER 150 Cb 0.93 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.45 2b4b h SER 150 CO 0.06 1.14 0.11 -0.33 -1.14 0.00 0.00 176.83 176.68 2b4b h GLU 151 N -1.00 0.51 -0.19 3.45 5.08 -1.17 -3.31 114.58 117.95 2b4b h GLU 151 Ca -0.16 -0.11 0.00 0.00 -1.00 0.00 0.00 59.36 58.10 2b4b h GLU 151 Cb 0.98 -0.08 0.00 0.00 0.50 0.00 0.00 28.75 30.15 2b4b h GLU 151 CO -0.10 0.54 0.00 0.39 -1.00 0.00 0.00 179.01 178.84 2b4b n GLU 152 N -4.68 1.98 -1.40 2.33 1.02 -0.23 -5.01 120.64 114.65 2b4b n GLU 152 Ca -0.01 -1.64 -0.14 0.00 -0.02 0.00 0.00 57.16 55.35 2b4b n GLU 152 Cb 0.16 -1.20 -0.06 0.00 -0.02 0.00 0.00 31.44 30.32 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 0.40 1.42 3.76 0.62 0.00 -1.06 -4.98 105.19 105.35 2b4b n GLY 153 Ca 0.08 -0.26 -0.41 0.00 0.00 0.00 0.00 46.02 45.44 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 -2.43 3.36 -0.07 1.61 0.52 -1.25 -4.99 118.94 115.70 2b4b s TRP 154 Ca 0.00 1.55 0.02 0.00 0.02 0.00 0.00 56.10 57.69 2b4b s TRP 154 Cb 0.00 -3.45 0.01 0.00 -1.15 0.00 0.00 33.47 28.88 2b4b s TRP 154 CO 0.00 -1.14 -0.13 1.03 0.02 0.00 0.00 176.95 176.74 2b4b s ARG 155 N -1.39 1.76 -0.06 4.98 1.81 -1.26 -4.49 118.95 120.29 2b4b s ARG 155 Ca 0.47 -0.43 -0.30 0.00 -1.72 0.00 0.00 55.73 53.75 2b4b s ARG 155 Cb -0.35 -1.44 -0.03 0.00 -0.45 0.00 0.00 34.95 32.68 2b4b s ARG 155 CO 0.45 0.03 1.20 -1.17 -0.68 0.00 0.00 175.30 175.13 2b4b s LEU 156 N 0.65 4.27 0.21 2.53 2.96 -1.26 -5.03 118.68 123.01 2b4b s LEU 156 Ca -0.15 1.80 0.10 0.00 -0.22 0.00 0.00 54.13 55.66 2b4b s LEU 156 Cb -0.16 -3.56 -0.04 0.00 0.50 0.00 0.00 46.19 42.93 2b4b s LEU 156 CO 0.04 -0.59 -0.10 -0.36 -1.32 0.00 0.00 176.35 174.02 2b4b s PHE 157 N 2.28 2.58 0.01 5.38 0.40 -1.26 -5.15 117.98 122.22 2b4b s PHE 157 Ca 0.56 -0.24 -0.01 0.00 -0.60 0.00 0.00 56.93 56.63 2b4b s PHE 157 Cb -0.24 -1.22 -0.01 0.00 0.51 0.00 0.00 43.02 42.06 2b4b s PHE 157 CO 0.21 0.56 0.01 -1.59 0.70 0.00 0.00 175.22 175.11 2b4b s LYS 158 N -3.09 0.28 -0.19 0.44 -2.85 -1.26 -5.12 119.74 107.94 2b4b s LYS 158 Ca 0.27 -0.44 -0.02 0.00 -1.00 0.00 0.00 55.97 54.78 2b4b s LYS 158 Cb -0.08 0.10 0.06 0.00 -2.06 0.00 0.00 37.83 35.85 2b4b s LYS 158 CO 0.16 -0.05 0.01 0.42 0.10 0.00 0.00 175.35 175.99 2b4b s ILE 159 N -1.13 0.73 0.85 3.79 1.01 -1.26 -5.14 121.20 120.06 2b4b s ILE 159 Ca -0.12 -0.63 -0.12 0.00 0.00 0.00 0.00 60.65 59.78 2b4b s ILE 159 Cb -0.08 -1.15 0.10 0.00 0.01 0.00 0.00 42.46 41.35 2b4b s ILE 159 CO -0.00 -0.13 1.10 -1.81 0.00 0.00 0.00 174.94 174.10 2b4b s ASP 160 N 1.77 3.95 0.26 3.58 -0.00 -1.26 -4.76 116.67 120.20 2b4b s ASP 160 Ca -0.01 1.27 -0.07 0.00 -0.00 0.00 0.00 52.55 53.74 2b4b s ASP 160 Cb -0.17 -1.96 0.47 0.00 -0.00 0.00 0.00 42.92 41.26 2b4b s ASP 160 CO -0.07 -2.31 1.61 0.50 -0.00 0.00 0.00 175.17 174.89 2b4b h LYS 161 N -1.32 0.05 -0.54 8.23 3.64 -2.00 -1.58 116.57 123.03 2b4b h LYS 161 Ca -0.49 -0.00 0.03 0.00 -1.27 0.00 0.00 60.65 58.92 2b4b h LYS 161 Cb 1.29 -0.01 -0.03 0.00 -0.41 0.00 0.00 32.23 33.07 2b4b h LYS 161 CO 0.59 0.03 0.36 1.05 -2.27 0.00 0.00 179.45 179.21 2b4b h GLU 162 N 0.05 0.61 0.00 1.90 4.11 -1.99 0.12 114.58 119.38 2b4b h GLU 162 Ca 0.44 -0.04 -0.16 0.00 0.07 0.00 0.00 59.36 59.67 2b4b h GLU 162 Cb 0.77 -0.14 -0.02 0.00 0.50 0.00 0.00 28.75 29.86 2b4b h GLU 162 CO -0.78 0.41 -0.84 1.88 0.07 0.00 0.00 179.01 179.75 2b4b h TYR 163 N 0.63 0.00 -0.39 2.06 0.05 -1.68 -2.07 116.97 115.58 2b4b h TYR 163 Ca 0.22 0.00 -0.10 0.00 0.05 0.00 0.00 58.73 58.90 2b4b h TYR 163 Cb 0.09 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 37.81 2b4b h TYR 163 CO -0.00 0.72 -0.13 -0.07 -1.05 0.00 0.00 178.16 177.63 2b4b h LEU 164 N 0.00 0.78 -0.59 3.88 3.38 -0.58 -2.89 115.31 119.29 2b4b h LEU 164 Ca -0.04 -0.38 0.02 0.00 0.09 0.00 0.00 57.88 57.57 2b4b h LEU 164 Cb 1.58 -0.21 -0.03 0.00 0.09 0.00 0.00 40.66 42.08 2b4b h LEU 164 CO 0.09 0.99 0.37 0.25 0.09 0.00 0.00 178.44 180.23 2b4b h LEU 165 N 0.57 0.62 -0.82 1.67 5.85 -0.80 0.14 115.31 122.55 2b4b h LEU 165 Ca 0.09 -0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.81 2b4b h LEU 165 Cb 0.66 -0.14 0.00 0.00 0.37 0.00 0.00 40.66 41.55 2b4b h LEU 165 CO 0.05 0.44 0.00 0.29 -0.34 0.00 0.00 178.44 178.88 2b4b n LYS 166 N -4.72 0.00 0.00 1.25 5.02 -0.78 -1.64 118.16 117.29 2b4b n LYS 166 Ca 0.05 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.34 2b4b n LYS 166 Cb 0.06 -0.95 0.00 0.00 -0.02 0.00 0.00 35.03 34.11 2b4b n LYS 166 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2b4b n ALA 168 N 0.28 0.00 0.35 7.82 0.00 0.49 -0.86 120.51 128.59 2b4b n ALA 168 Ca 0.00 0.00 0.12 0.00 0.00 0.00 0.00 53.44 53.56 2b4b n ALA 168 Cb 0.00 0.00 0.06 0.00 0.00 0.00 0.00 19.45 19.51 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 0.43 -0.10 0.00 -2.24 -0.65 -4.33 114.28 107.40 2b4b n THR 169 Ca 0.00 -0.39 -0.06 0.00 -2.27 0.00 0.00 64.05 61.32 2b4b n THR 169 Cb 0.00 -0.16 0.01 0.00 -2.10 0.00 0.00 70.33 68.09 2b4b n THR 169 CO 0.00 0.00 0.00 -0.33 -0.57 0.00 0.00 175.07 174.17 2b4b h GLU 170 N 0.00 0.16 0.00 -0.78 5.08 -1.22 -3.54 114.58 114.27 2b4b h GLU 170 Ca 0.00 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.35 2b4b h GLU 170 Cb 0.86 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 30.07 2b4b h GLU 170 CO 0.00 0.10 0.00 -0.85 -1.00 0.00 0.00 179.01 177.26