#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1g1b s HIS 2 N 0.00 3.53 0.31 1.43 5.04 -1.26 -4.90 115.29 119.44 1g1b s HIS 2 Ca 0.00 1.16 0.02 0.00 -1.54 0.00 0.00 55.06 54.71 1g1b s HIS 2 Cb 0.00 -2.57 0.59 0.00 0.04 0.00 0.00 32.58 30.64 1g1b s HIS 2 CO 0.00 -0.36 1.88 -1.35 -2.34 0.00 0.00 174.74 172.56 1g1b h PRO 3 N 0.53 0.93 -0.57 2.88 0.11 -2.06 -0.72 132.00 133.10 1g1b h PRO 3 Ca -0.46 -0.06 -0.06 0.00 0.11 0.00 0.00 66.00 65.53 1g1b h PRO 3 Cb 1.19 -0.21 -0.02 0.00 0.11 0.00 0.00 31.00 32.07 1g1b h PRO 3 CO 0.62 0.61 0.10 0.00 -0.21 0.00 0.00 178.00 179.13 1g1b h ALA 4 N 1.54 1.10 -0.03 -0.75 0.00 -1.99 -2.01 119.26 117.11 1g1b h ALA 4 Ca 0.44 -0.24 -0.14 0.00 0.00 0.00 0.00 54.91 54.97 1g1b h ALA 4 Cb 0.40 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.95 1g1b h ALA 4 CO -0.20 0.59 -0.61 -0.07 0.00 0.00 0.00 179.25 178.96 1g1b h LEU 5 N 0.86 0.14 -0.49 0.00 -0.00 -1.54 -0.05 115.31 114.24 1g1b h LEU 5 Ca 0.18 -0.08 -0.02 0.00 -0.00 0.00 0.00 57.88 57.95 1g1b h LEU 5 Cb 0.37 -0.04 -0.02 0.00 -0.00 0.00 0.00 40.66 40.97 1g1b h LEU 5 CO 0.01 0.72 0.21 0.74 -0.00 0.00 0.00 178.44 180.12 1g1b h THR 6 N 0.09 1.20 -0.54 0.22 2.02 -1.03 0.67 112.91 115.55 1g1b h THR 6 Ca -0.01 -0.61 -0.06 0.00 0.77 0.00 0.00 66.41 66.50 1g1b h THR 6 Cb 1.10 0.69 -0.02 0.00 -1.74 0.00 0.00 68.15 68.19 1g1b h THR 6 CO 0.09 0.23 0.10 1.56 0.37 0.00 0.00 175.52 177.87 1g1b h GLN 7 N 0.65 0.89 -0.55 6.66 4.20 -1.04 -1.39 115.11 124.52 1g1b h GLN 7 Ca 0.17 -0.23 0.04 0.00 0.06 0.00 0.00 58.65 58.68 1g1b h GLN 7 Cb 0.16 -0.11 -0.04 0.00 0.30 0.00 0.00 27.48 27.80 1g1b h GLN 7 CO -0.02 0.85 0.31 1.25 -0.67 0.00 0.00 178.83 180.56 1g1b h LEU 8 N 0.77 0.48 -1.74 1.46 6.46 -0.64 0.18 115.31 122.28 1g1b h LEU 8 Ca 0.17 0.02 -0.03 0.00 -0.12 0.00 0.00 57.88 57.91 1g1b h LEU 8 Cb 0.39 -0.08 -0.00 0.00 -0.73 0.00 0.00 40.66 40.23 1g1b h LEU 8 CO 0.01 0.33 -0.15 0.03 -0.62 0.00 0.00 178.44 178.03 1g1b h ARG 9 N 0.60 0.00 -0.33 1.25 2.47 -0.62 -2.60 114.38 115.16 1g1b h ARG 9 Ca 0.23 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.95 1g1b h ARG 9 Cb 0.09 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.41 1g1b h ARG 9 CO -0.13 0.15 0.00 0.00 0.56 0.00 0.00 179.97 180.55 1g1b n ALA 10 N -2.28 2.45 -1.77 0.04 0.00 0.02 -4.95 120.51 114.02 1g1b n ALA 10 Ca -0.01 -0.58 -0.40 0.00 0.00 0.00 0.00 53.44 52.44 1g1b n ALA 10 Cb 0.28 -0.98 -0.01 0.00 0.00 0.00 0.00 19.45 18.74 1g1b n ALA 10 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1g1b s LEU 11 N -1.03 4.32 -0.22 0.00 1.43 -0.98 -4.71 118.68 117.48 1g1b s LEU 11 Ca 0.23 2.84 -0.05 0.00 -1.03 0.00 0.00 54.13 56.12 1g1b s LEU 11 Cb 0.12 -3.73 -0.02 0.00 0.03 0.00 0.00 46.19 42.60 1g1b s LEU 11 CO 0.16 -0.77 -0.00 -0.13 0.23 0.00 0.00 176.35 175.84 1g1b s ARG 12 N -2.04 3.52 0.67 1.70 0.52 0.03 -4.83 118.95 118.52 1g1b s ARG 12 Ca 0.53 -0.56 -0.00 0.00 -0.52 0.00 0.00 55.73 55.18 1g1b s ARG 12 Cb -0.42 -3.11 0.13 0.00 0.52 0.00 0.00 34.95 32.07 1g1b s ARG 12 CO 0.56 -0.13 0.92 0.66 0.02 0.00 0.00 175.30 177.33 1g1b n TYR 13 N 4.66 -3.00 0.00 -0.53 4.02 -1.26 -1.58 117.16 119.47 1g1b n TYR 13 Ca -0.17 -1.60 0.00 0.00 -0.01 0.00 0.00 57.90 56.12 1g1b n TYR 13 Cb 0.51 -0.67 0.00 0.00 -0.02 0.00 0.00 39.34 39.16 1g1b n TYR 13 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 1g1b n LYS 15 N 0.00 4.73 -1.89 0.00 -0.00 -1.26 -0.60 118.16 119.13 1g1b n LYS 15 Ca 0.00 -3.02 -0.40 0.00 -0.00 0.00 0.00 58.31 54.89 1g1b n LYS 15 Cb 0.00 -2.23 -0.01 0.00 -0.00 0.00 0.00 35.03 32.79 1g1b n LYS 15 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.40 175.49 1g1b n GLU 16 N 0.62 4.23 -1.64 -1.58 4.07 -1.26 -4.98 120.64 120.10 1g1b n GLU 16 Ca 0.27 -3.19 -0.52 0.00 -0.06 0.00 0.00 57.16 53.66 1g1b n GLU 16 Cb 1.16 -2.73 -0.06 0.00 -0.06 0.00 0.00 31.44 29.75 1g1b n GLU 16 CO 0.00 0.00 0.00 -0.89 -0.06 0.00 0.00 177.13 176.18 1g1b n ILE 17 N 2.42 0.41 -1.24 6.31 5.41 -1.25 -4.91 119.36 126.51 1g1b n ILE 17 Ca 0.62 -0.13 -0.33 0.00 1.00 0.00 0.00 62.75 63.91 1g1b n ILE 17 Cb 0.26 -1.65 0.11 0.00 -0.71 0.00 0.00 39.64 37.65 1g1b n ILE 17 CO 0.00 0.00 0.00 -2.16 0.00 0.00 0.00 176.55 174.39 1g1b s PRO 18 N 4.47 1.91 -1.39 0.38 0.04 -1.26 -4.89 135.00 134.26 1g1b s PRO 18 Ca 0.98 1.58 -0.13 0.00 0.04 0.00 0.00 61.00 63.48 1g1b s PRO 18 Cb -0.83 -1.83 0.09 0.00 0.04 0.00 0.00 34.50 31.97 1g1b s PRO 18 CO 0.55 -1.97 2.07 0.00 0.04 0.00 0.00 177.00 177.69 1g1b n ALA 19 N -3.22 5.36 -2.00 8.56 0.00 -1.26 -4.98 120.51 122.96 1g1b n ALA 19 Ca 0.12 -4.04 -0.26 0.00 0.00 0.00 0.00 53.44 49.27 1g1b n ALA 19 Cb 0.51 -3.34 0.05 0.00 0.00 0.00 0.00 19.45 16.67 1g1b n ALA 19 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1g1b s LEU 20 N 1.47 3.04 0.77 0.00 1.43 -1.26 -5.05 118.68 119.08 1g1b s LEU 20 Ca 0.45 0.50 -0.11 0.00 -1.03 0.00 0.00 54.13 53.93 1g1b s LEU 20 Cb 0.12 -3.24 0.06 0.00 0.03 0.00 0.00 46.19 43.15 1g1b s LEU 20 CO -0.05 -1.33 1.10 1.51 0.23 0.00 0.00 176.35 177.82 1g1b s ASP 21 N -4.42 4.39 0.21 2.29 3.84 -1.26 -4.76 116.67 116.96 1g1b s ASP 21 Ca 0.57 1.91 -0.19 0.00 -0.00 0.00 0.00 52.55 54.84 1g1b s ASP 21 Cb -0.11 -2.53 0.18 0.00 -1.38 0.00 0.00 42.92 39.08 1g1b s ASP 21 CO 0.44 -2.12 1.57 -0.65 -0.00 0.00 0.00 175.17 174.41 1g1b h PRO 22 N -1.02 -0.08 -0.58 2.11 0.11 -1.99 -2.16 132.00 128.40 1g1b h PRO 22 Ca -0.44 0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.68 1g1b h PRO 22 Cb 1.24 0.02 -0.03 0.00 0.11 0.00 0.00 31.00 32.34 1g1b h PRO 22 CO 0.50 -0.05 0.38 0.37 -0.21 0.00 0.00 178.00 178.99 1g1b h GLN 23 N -0.08 0.77 -0.57 1.05 5.75 -1.98 0.36 115.11 120.40 1g1b h GLN 23 Ca 0.29 -0.05 -0.02 0.00 -0.15 0.00 0.00 58.65 58.71 1g1b h GLN 23 Cb 0.57 -0.17 -0.03 0.00 1.07 0.00 0.00 27.48 28.93 1g1b h GLN 23 CO -0.84 0.51 0.26 1.25 -2.65 0.00 0.00 178.83 177.36 1g1b h LEU 24 N 0.79 0.76 -0.81 -2.39 5.85 -1.80 -1.41 115.31 116.30 1g1b h LEU 24 Ca 0.21 -0.14 -0.10 0.00 0.84 0.00 0.00 57.88 58.69 1g1b h LEU 24 Cb -0.08 -0.20 -0.02 0.00 0.37 0.00 0.00 40.66 40.74 1g1b h LEU 24 CO -0.05 0.69 -0.20 -0.07 -0.34 0.00 0.00 178.44 178.48 1g1b h LEU 25 N 0.78 0.69 -1.37 2.25 3.38 -1.10 0.41 115.31 120.33 1g1b h LEU 25 Ca 0.19 -0.23 -0.01 0.00 0.09 0.00 0.00 57.88 57.93 1g1b h LEU 25 Cb 0.15 -0.19 -0.03 0.00 0.09 0.00 0.00 40.66 40.68 1g1b h LEU 25 CO -0.02 0.88 0.29 -0.78 0.09 0.00 0.00 178.44 178.90 1g1b h ASP 26 N 0.61 0.64 0.15 -0.43 3.58 0.37 -0.21 116.42 121.12 1g1b h ASP 26 Ca 0.09 -0.04 -0.01 0.00 0.42 0.00 0.00 57.03 57.49 1g1b h ASP 26 Cb 0.67 -0.16 0.00 0.00 1.72 0.00 0.00 39.33 41.56 1g1b h ASP 26 CO 0.05 0.51 -0.07 -0.50 -2.88 0.00 0.00 179.24 176.35 1g1b h TRP 27 N 0.73 -0.19 0.00 0.28 4.06 -0.38 -3.19 115.95 117.26 1g1b h TRP 27 Ca 0.19 -0.00 -0.02 0.00 2.06 0.00 0.00 58.89 61.12 1g1b h TRP 27 Cb 0.01 0.06 -0.00 0.00 -1.00 0.00 0.00 29.16 28.23 1g1b h TRP 27 CO 0.00 0.21 -0.08 -0.07 -3.56 0.00 0.00 178.44 174.94 1g1b h LEU 28 N -0.94 0.00 -1.59 -4.49 3.38 -0.81 -2.80 115.31 108.05 1g1b h LEU 28 Ca -0.02 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.95 1g1b h LEU 28 Cb 0.48 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.23 1g1b h LEU 28 CO 0.03 0.08 0.00 0.18 0.09 0.00 0.00 178.44 178.82 1g1b n LEU 29 N -3.96 2.45 -4.65 1.67 4.77 -0.10 -4.98 117.00 112.19 1g1b n LEU 29 Ca -0.02 -0.87 -0.52 0.00 -0.03 0.00 0.00 56.01 54.56 1g1b n LEU 29 Cb 0.17 -0.04 -0.06 0.00 -2.33 0.00 0.00 43.42 41.16 1g1b n LEU 29 CO 0.31 0.44 1.17 -0.11 -1.33 0.00 0.00 177.39 177.86 1g1b n LEU 30 N 0.89 2.42 -3.61 2.23 7.94 -1.06 -4.84 117.00 120.98 1g1b n LEU 30 Ca 0.17 1.08 -0.41 0.00 -1.11 0.00 0.00 56.01 55.73 1g1b n LEU 30 Cb 0.50 -1.25 -0.00 0.00 0.53 0.00 0.00 43.42 43.19 1g1b n LEU 30 CO 0.15 -0.57 2.36 1.21 -1.11 0.00 0.00 177.39 179.43 1g1b n GLU 31 N 4.11 4.09 -3.81 1.96 2.13 -1.26 -4.81 120.64 123.05 1g1b n GLU 31 Ca 0.21 -3.32 -0.00 0.00 0.66 0.00 0.00 57.16 54.70 1g1b n GLU 31 Cb 0.21 -2.78 0.01 0.00 0.27 0.00 0.00 31.44 29.14 1g1b n GLU 31 CO 0.00 0.00 0.00 0.34 -0.41 0.00 0.00 177.13 177.06 1g1b s ASP 32 N 0.84 -0.04 0.91 4.31 -1.08 -1.26 -5.00 116.67 115.35 1g1b s ASP 32 Ca 0.50 -0.35 -0.13 0.00 -0.52 0.00 0.00 52.55 52.05 1g1b s ASP 32 Cb 0.15 0.31 0.19 0.00 -1.46 0.00 0.00 42.92 42.10 1g1b s ASP 32 CO -0.06 -0.60 1.26 -0.94 0.52 0.00 0.00 175.17 175.35 1g1b s SER 33 N -3.31 3.37 0.00 -0.34 1.04 -1.26 -4.98 113.70 108.21 1g1b s SER 33 Ca 0.20 0.13 0.28 0.00 0.48 0.00 0.00 55.95 57.03 1g1b s SER 33 Cb 0.00 -0.23 1.03 0.00 0.10 0.00 0.00 66.02 66.92 1g1b s SER 33 CO 0.01 -2.56 1.73 0.23 0.98 0.00 0.00 173.24 173.63 1g1b n MET 34 N -3.57 1.68 0.06 4.02 2.81 -1.26 -4.56 117.12 116.30 1g1b n MET 34 Ca 0.15 -0.99 -0.14 0.00 -1.81 0.00 0.00 57.70 54.91 1g1b n MET 34 Cb 0.60 -1.48 -0.07 0.00 -0.71 0.00 0.00 33.22 31.55 1g1b n MET 34 CO 0.00 0.00 0.00 1.15 1.51 0.00 0.00 175.97 178.63 1g1b h THR 35 N 2.42 0.11 -0.44 2.03 2.02 -1.94 0.17 112.91 117.28 1g1b h THR 35 Ca 0.00 0.00 -0.08 0.00 0.77 0.00 0.00 66.41 67.10 1g1b h THR 35 Cb 0.51 0.11 -0.02 0.00 -1.74 0.00 0.00 68.15 67.02 1g1b h THR 35 CO 0.00 0.00 -0.06 0.11 0.37 0.00 0.00 175.52 175.94 1g1b h LYS 36 N -0.61 0.76 -0.27 6.66 1.79 -1.90 -0.47 116.57 122.53 1g1b h LYS 36 Ca 0.04 -0.23 -0.11 0.00 -2.18 0.00 0.00 60.65 58.18 1g1b h LYS 36 Cb 0.68 -0.08 -0.01 0.00 -1.58 0.00 0.00 32.23 31.24 1g1b h LYS 36 CO -0.33 0.81 -0.27 0.00 -1.08 0.00 0.00 179.45 178.58 1g1b h ARG 37 N 0.70 0.54 -0.11 3.15 3.08 -1.80 -1.27 114.38 118.68 1g1b h ARG 37 Ca 0.13 -0.22 -0.11 0.00 0.07 0.00 0.00 59.98 59.85 1g1b h ARG 37 Cb 0.52 -0.02 -0.01 0.00 0.08 0.00 0.00 29.97 30.53 1g1b h ARG 37 CO 0.03 0.77 -0.44 0.74 -1.07 0.00 0.00 179.97 180.00 1g1b h PHE 38 N 0.47 0.30 -0.47 3.04 0.04 -0.31 -2.95 116.94 117.07 1g1b h PHE 38 Ca 0.06 -0.09 -0.03 0.00 2.80 0.00 0.00 57.97 60.72 1g1b h PHE 38 Cb 0.72 -0.06 -0.02 0.00 2.20 0.00 0.00 35.95 38.79 1g1b h PHE 38 CO 0.03 0.65 0.16 1.49 -0.60 0.00 0.00 178.31 180.04 1g1b h GLU 39 N 0.21 0.72 0.00 1.51 4.81 -0.54 -2.10 114.58 119.19 1g1b h GLU 39 Ca 0.02 -0.15 0.00 0.00 -0.13 0.00 0.00 59.36 59.10 1g1b h GLU 39 Cb 0.86 -0.11 0.00 0.00 0.63 0.00 0.00 28.75 30.13 1g1b h GLU 39 CO 0.07 0.67 0.05 1.04 -0.73 0.00 0.00 179.01 180.11 1g1b n GLN 40 N -4.55 0.10 0.00 1.92 6.02 -0.53 -0.28 117.38 120.06 1g1b n GLN 40 Ca 0.01 0.58 0.10 0.00 -0.01 0.00 0.00 57.00 57.69 1g1b n GLN 40 Cb 0.18 -1.87 0.62 0.00 1.02 0.00 0.00 30.24 30.19 1g1b n GLN 40 CO 0.00 0.00 0.00 1.04 -1.01 0.00 0.00 177.06 177.09 1g1b n GLN 41 N -2.02 0.76 -1.89 -1.09 1.13 -0.79 -4.86 117.38 108.63 1g1b n GLN 41 Ca -0.01 0.00 0.00 0.00 -1.94 0.00 0.00 57.00 55.05 1g1b n GLN 41 Cb 0.08 -1.43 0.00 0.00 0.11 0.00 0.00 30.24 29.00 1g1b n GLN 41 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1g1b n GLY 42 N 0.48 0.63 3.37 1.08 0.00 0.62 -5.08 105.19 106.30 1g1b n GLY 42 Ca 0.16 -0.76 -0.22 0.00 0.00 0.00 0.00 46.02 45.20 1g1b n GLY 42 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1g1b s LYS 43 N -3.86 1.39 -0.20 1.61 -0.14 -1.16 -5.04 119.74 112.34 1g1b s LYS 43 Ca 0.00 -1.53 -0.24 0.00 -1.36 0.00 0.00 55.97 52.83 1g1b s LYS 43 Cb 0.00 -1.41 -0.01 0.00 -1.68 0.00 0.00 37.83 34.73 1g1b s LYS 43 CO 0.00 0.27 0.80 0.99 -0.76 0.00 0.00 175.35 176.65 1g1b s THR 44 N -2.34 4.89 -0.20 2.17 2.01 -1.26 -4.59 115.64 116.30 1g1b s THR 44 Ca 0.21 1.55 -0.12 0.00 0.31 0.00 0.00 61.69 63.64 1g1b s THR 44 Cb -0.04 -4.10 -0.05 0.00 0.01 0.00 0.00 72.50 68.32 1g1b s THR 44 CO 0.09 0.01 0.20 -0.69 -0.69 0.00 0.00 174.62 173.53 1g1b s VAL 45 N 2.34 5.35 0.17 3.82 1.01 -1.26 -1.14 120.40 130.69 1g1b s VAL 45 Ca 0.36 0.32 -0.02 0.00 0.00 0.00 0.00 61.98 62.64 1g1b s VAL 45 Cb -0.16 -3.54 -0.04 0.00 0.00 0.00 0.00 36.38 32.64 1g1b s VAL 45 CO 0.10 0.38 0.13 -0.94 0.00 0.00 0.00 175.10 174.78 1g1b s SER 46 N 0.64 0.19 -0.17 3.32 1.04 -0.25 -4.94 113.70 113.53 1g1b s SER 46 Ca 0.11 -1.25 -0.07 0.00 0.48 0.00 0.00 55.95 55.22 1g1b s SER 46 Cb -0.12 0.36 -0.04 0.00 0.10 0.00 0.00 66.02 66.32 1g1b s SER 46 CO 0.02 -0.81 0.06 -0.69 0.98 0.00 0.00 173.24 172.79 1g1b s VAL 47 N -4.09 4.74 -0.34 5.02 1.01 -1.26 -0.55 120.40 124.93 1g1b s VAL 47 Ca 0.30 -0.06 -0.08 0.00 0.00 0.00 0.00 61.98 62.14 1g1b s VAL 47 Cb 0.06 -3.11 0.02 0.00 0.00 0.00 0.00 36.38 33.35 1g1b s VAL 47 CO 0.07 0.49 0.14 -0.89 0.00 0.00 0.00 175.10 174.91 1g1b s THR 48 N 0.13 4.18 -0.10 3.92 2.01 0.51 -4.91 115.64 121.37 1g1b s THR 48 Ca 0.05 -0.86 -0.30 0.00 0.31 0.00 0.00 61.69 60.89 1g1b s THR 48 Cb -0.12 -3.28 -0.02 0.00 0.01 0.00 0.00 72.50 69.08 1g1b s THR 48 CO 0.01 -0.11 1.21 -0.32 -0.69 0.00 0.00 174.62 174.71 1g1b s MET 49 N 1.50 4.31 -0.17 4.92 1.75 -1.26 -1.11 119.30 129.24 1g1b s MET 49 Ca 0.01 1.65 -0.13 0.00 -1.25 0.00 0.00 55.69 55.97 1g1b s MET 49 Cb -0.19 -3.62 -0.07 0.00 2.84 0.00 0.00 34.83 33.79 1g1b s MET 49 CO 0.04 -0.53 -0.16 -0.89 -0.65 0.00 0.00 175.02 172.84 1g1b n ILE 50 N 4.88 1.46 -3.47 10.11 2.08 0.58 -4.96 119.36 130.02 1g1b n ILE 50 Ca 0.12 0.13 -0.10 0.00 0.56 0.00 0.00 62.75 63.46 1g1b n ILE 50 Cb 0.46 -2.30 -0.02 0.00 -0.75 0.00 0.00 39.64 37.02 1g1b n ILE 50 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 1g1b s ARG 51 N -2.40 1.00 -0.20 0.38 1.04 -0.82 -5.01 118.95 112.95 1g1b s ARG 51 Ca -0.21 -0.35 -0.28 0.00 -1.04 0.00 0.00 55.73 53.85 1g1b s ARG 51 Cb 0.04 0.46 0.12 0.00 -2.04 0.00 0.00 34.95 33.53 1g1b s ARG 51 CO 0.33 -0.43 0.97 -1.83 -0.04 0.00 0.00 175.30 174.30 1g1b s GLU 52 N -3.28 0.61 0.00 3.89 -1.05 -1.25 0.00 118.70 117.62 1g1b s GLU 52 Ca 0.03 0.34 0.00 0.00 -0.15 0.00 0.00 54.97 55.19 1g1b s GLU 52 Cb -0.01 0.29 0.00 0.00 -0.44 0.00 0.00 34.13 33.97 1g1b s GLU 52 CO -0.10 -0.15 0.00 0.41 0.95 0.00 0.00 175.26 176.37 1g1b n GLY 53 N 1.32 -2.39 3.77 -3.83 0.00 -0.54 -5.00 105.19 98.52 1g1b n GLY 53 Ca -0.12 -1.24 -0.38 0.00 0.00 0.00 0.00 46.02 44.29 1g1b n GLY 53 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1g1b s PHE 54 N -2.06 3.20 0.22 1.61 0.40 -1.26 -0.98 117.98 119.11 1g1b s PHE 54 Ca 0.00 1.61 0.02 0.00 -0.60 0.00 0.00 56.93 57.96 1g1b s PHE 54 Cb 0.00 -3.26 -0.05 0.00 0.51 0.00 0.00 43.02 40.22 1g1b s PHE 54 CO 0.00 -0.95 0.05 0.14 0.70 0.00 0.00 175.22 175.16 1g1b s VAL 55 N -1.50 0.66 0.45 -0.44 -7.23 0.25 -4.86 120.40 107.72 1g1b s VAL 55 Ca 0.56 -1.99 0.06 0.00 -1.81 0.00 0.00 61.98 58.80 1g1b s VAL 55 Cb -0.27 -2.39 -0.03 0.00 0.56 0.00 0.00 36.38 34.25 1g1b s VAL 55 CO 0.34 -0.23 0.18 -1.61 -0.31 0.00 0.00 175.10 173.46 1g1b s GLU 56 N -3.97 2.21 0.34 4.82 8.01 -1.26 -0.28 118.70 128.57 1g1b s GLU 56 Ca 0.31 -1.97 0.13 0.00 0.01 0.00 0.00 54.97 53.45 1g1b s GLU 56 Cb 0.07 -1.92 0.98 0.00 -4.31 0.00 0.00 34.13 28.95 1g1b s GLU 56 CO 0.09 -0.23 1.72 1.96 0.01 0.00 0.00 175.26 178.81 1g1b h GLN 57 N 1.33 0.47 0.00 1.61 4.20 -1.83 -0.66 115.11 120.23 1g1b h GLN 57 Ca -0.42 -0.03 0.00 0.00 0.06 0.00 0.00 58.65 58.26 1g1b h GLN 57 Cb 1.27 -0.11 0.00 0.00 0.30 0.00 0.00 27.48 28.94 1g1b h GLN 57 CO 0.69 0.31 0.00 0.09 -0.67 0.00 0.00 178.83 179.26 1g1b n ASN 58 N -4.86 0.00 -1.01 1.46 4.13 -1.26 -1.82 115.26 111.90 1g1b n ASN 58 Ca 0.28 0.10 0.12 0.00 1.68 0.00 0.00 54.58 56.76 1g1b n ASN 58 Cb 0.83 -0.32 0.20 0.00 -1.54 0.00 0.00 39.78 38.95 1g1b n ASN 58 CO 0.00 0.00 0.00 -0.62 0.28 0.00 0.00 177.26 176.92 1g1b n GLU 59 N -1.32 2.35 -2.57 3.52 1.02 -0.26 -4.56 120.64 118.82 1g1b n GLU 59 Ca 0.08 -2.00 -0.18 0.00 -0.02 0.00 0.00 57.16 55.04 1g1b n GLU 59 Cb 0.16 -1.48 0.02 0.00 -0.02 0.00 0.00 31.44 30.11 1g1b n GLU 59 CO 0.00 0.00 0.00 0.44 1.18 0.00 0.00 177.13 178.75 1g1b n ILE 60 N 1.29 1.66 -0.32 -3.67 -5.35 -0.76 -4.94 119.36 107.29 1g1b n ILE 60 Ca 0.17 -3.97 0.18 0.00 -0.27 0.00 0.00 62.75 58.87 1g1b n ILE 60 Cb 0.57 -0.27 0.44 0.00 -1.74 0.00 0.00 39.64 38.64 1g1b n ILE 60 CO 0.00 0.00 0.00 1.55 -1.76 0.00 0.00 176.55 176.34 1g1b h PRO 61 N 2.79 0.52 0.00 6.28 0.13 -1.81 0.16 132.00 140.08 1g1b h PRO 61 Ca 0.10 -0.03 -0.23 0.00 -0.87 0.00 0.00 66.00 64.96 1g1b h PRO 61 Cb 1.05 -0.12 -0.03 0.00 0.13 0.00 0.00 31.00 32.03 1g1b h PRO 61 CO 0.67 0.34 -1.19 1.49 -0.23 0.00 0.00 178.00 179.08 1g1b h GLU 62 N 0.54 0.01 0.10 0.86 4.81 -1.95 -3.31 114.58 115.63 1g1b h GLU 62 Ca 0.57 -0.01 -0.28 0.00 -0.13 0.00 0.00 59.36 59.51 1g1b h GLU 62 Cb 1.22 0.01 -0.01 0.00 0.63 0.00 0.00 28.75 30.60 1g1b h GLU 62 CO -0.32 0.87 -1.35 0.93 -0.73 0.00 0.00 179.01 178.41 1g1b h GLU 63 N 0.00 0.21 -0.98 1.92 3.07 -1.82 -3.39 114.58 113.59 1g1b h GLU 63 Ca -0.09 -0.36 0.31 0.00 -0.50 0.00 0.00 59.36 58.72 1g1b h GLU 63 Cb 1.84 0.13 -0.18 0.00 -0.84 0.00 0.00 28.75 29.70 1g1b h GLU 63 CO 0.12 1.11 0.16 -0.11 -1.40 0.00 0.00 179.01 178.88 1g1b n LEU 64 N -3.45 0.01 0.09 1.33 7.94 0.51 0.14 117.00 123.57 1g1b n LEU 64 Ca -0.11 1.66 0.11 0.00 -1.11 0.00 0.00 56.01 56.56 1g1b n LEU 64 Cb 1.02 -0.66 0.44 0.00 0.53 0.00 0.00 43.42 44.76 1g1b n LEU 64 CO 0.51 -1.73 0.83 -0.81 -1.11 0.00 0.00 177.39 175.08 1g1b n PRO 65 N -5.41 0.15 0.00 1.96 -0.04 -1.26 -1.81 135.00 128.59 1g1b n PRO 65 Ca 0.27 0.35 0.12 0.00 -0.04 0.00 0.00 63.50 64.20 1g1b n PRO 65 Cb 0.89 -1.76 0.18 0.00 -0.04 0.00 0.00 33.50 32.78 1g1b n PRO 65 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 1g1b n LEU 66 N -2.03 2.20 -4.35 1.53 4.77 0.37 -4.97 117.00 114.51 1g1b n LEU 66 Ca 0.03 -0.75 -0.18 0.00 -0.03 0.00 0.00 56.01 55.08 1g1b n LEU 66 Cb 0.23 -0.02 -0.10 0.00 -2.33 0.00 0.00 43.42 41.21 1g1b n LEU 66 CO 0.19 0.38 -0.36 -0.76 -1.33 0.00 0.00 177.39 175.52 1g1b s LEU 67 N -2.20 2.35 0.60 2.23 1.43 -0.75 -5.02 118.68 117.32 1g1b s LEU 67 Ca 0.27 -1.17 -0.18 0.00 -1.03 0.00 0.00 54.13 52.02 1g1b s LEU 67 Cb 0.20 -0.42 -0.03 0.00 0.03 0.00 0.00 46.19 45.96 1g1b s LEU 67 CO 0.41 -0.41 1.18 -2.16 0.23 0.00 0.00 176.35 175.60 1g1b s PRO 68 N -3.79 2.97 -0.52 1.29 0.04 -1.26 -4.92 135.00 128.81 1g1b s PRO 68 Ca 0.27 1.71 -0.24 0.00 0.04 0.00 0.00 61.00 62.78 1g1b s PRO 68 Cb 0.04 -1.94 0.04 0.00 0.04 0.00 0.00 34.50 32.68 1g1b s PRO 68 CO 0.08 -1.18 0.91 0.15 0.04 0.00 0.00 177.00 177.01 1g1b s LYS 69 N -3.47 3.38 0.36 4.56 -0.14 -1.26 -4.99 119.74 118.19 1g1b s LYS 69 Ca 0.75 -0.16 0.04 0.00 -1.36 0.00 0.00 55.97 55.24 1g1b s LYS 69 Cb -0.27 -4.01 -0.05 0.00 -1.68 0.00 0.00 37.83 31.81 1g1b s LYS 69 CO 0.34 -1.37 0.07 -1.21 -0.76 0.00 0.00 175.35 172.41 1g1b s GLU 70 N 3.80 1.77 0.39 1.68 2.02 -1.26 -5.06 118.70 122.03 1g1b s GLU 70 Ca 0.32 -2.01 0.20 0.00 0.02 0.00 0.00 54.97 53.49 1g1b s GLU 70 Cb -0.12 -0.91 0.70 0.00 0.10 0.00 0.00 34.13 33.89 1g1b s GLU 70 CO 0.21 -0.25 1.74 0.66 0.02 0.00 0.00 175.26 177.64 1g1b h SER 71 N 1.97 0.00 -4.76 -0.19 4.64 -1.96 -3.42 113.55 109.84 1g1b h SER 71 Ca -0.40 0.00 0.09 0.00 -0.47 0.00 0.00 61.79 61.01 1g1b h SER 71 Cb 1.25 0.00 -0.14 0.00 -0.31 0.00 0.00 62.40 63.20 1g1b h SER 71 CO 0.68 0.33 0.43 0.00 -0.87 0.00 0.00 176.83 177.41 1g1b s ARG 72 N -3.56 0.94 0.01 4.77 1.70 -1.26 -4.66 118.95 116.89 1g1b s ARG 72 Ca 0.01 -0.36 -0.01 0.00 -0.47 0.00 0.00 55.73 54.89 1g1b s ARG 72 Cb 0.10 0.42 -0.01 0.00 -0.57 0.00 0.00 34.95 34.89 1g1b s ARG 72 CO 0.68 -0.41 0.00 0.71 -1.08 0.00 0.00 175.30 175.19 1g1b s TYR 73 N -3.26 0.19 -0.07 5.89 1.51 0.61 -1.60 117.35 120.62 1g1b s TYR 73 Ca 0.05 -0.40 -0.22 0.00 -1.01 0.00 0.00 57.07 55.49 1g1b s TYR 73 Cb -0.01 -0.14 -0.04 0.00 -0.11 0.00 0.00 41.96 41.66 1g1b s TYR 73 CO -0.09 -0.18 0.66 -0.46 -1.11 0.00 0.00 175.55 174.36 1g1b s TRP 74 N -1.27 3.58 -0.13 2.71 -0.11 0.76 0.87 118.94 125.34 1g1b s TRP 74 Ca -0.14 1.19 -0.01 0.00 1.22 0.00 0.00 56.10 58.36 1g1b s TRP 74 Cb -0.08 -2.75 -0.02 0.00 -1.50 0.00 0.00 33.47 29.12 1g1b s TRP 74 CO -0.00 0.13 -0.11 -1.17 -4.62 0.00 0.00 176.95 171.18 1g1b s LEU 75 N 0.66 2.85 -0.05 5.86 2.96 -0.15 0.15 118.68 130.95 1g1b s LEU 75 Ca 0.35 -0.27 -0.01 0.00 -0.22 0.00 0.00 54.13 53.98 1g1b s LEU 75 Cb -0.17 -1.65 0.03 0.00 0.50 0.00 0.00 46.19 44.89 1g1b s LEU 75 CO 0.17 0.17 0.02 -0.60 -1.32 0.00 0.00 176.35 174.79 1g1b s ARG 76 N 0.32 0.29 -0.10 1.98 3.52 -0.07 -1.47 118.95 123.43 1g1b s ARG 76 Ca -0.09 0.19 0.03 0.00 -0.13 0.00 0.00 55.73 55.73 1g1b s ARG 76 Cb -0.15 -0.67 0.01 0.00 -1.56 0.00 0.00 34.95 32.57 1g1b s ARG 76 CO 0.05 -0.26 -0.20 -1.21 -0.81 0.00 0.00 175.30 172.86 1g1b s GLU 77 N 1.74 2.72 0.16 5.12 2.02 0.10 -0.97 118.70 129.60 1g1b s GLU 77 Ca 0.00 -0.76 -0.09 0.00 0.02 0.00 0.00 54.97 54.15 1g1b s GLU 77 Cb -0.13 -2.14 -0.01 0.00 0.10 0.00 0.00 34.13 31.96 1g1b s GLU 77 CO -0.03 0.08 0.29 0.96 0.02 0.00 0.00 175.26 176.57 1g1b s ILE 78 N 0.59 0.06 -0.15 -1.63 -4.36 -0.23 -0.31 121.20 115.18 1g1b s ILE 78 Ca -0.14 -1.37 -0.02 0.00 -0.26 0.00 0.00 60.65 58.87 1g1b s ILE 78 Cb -0.17 -1.83 -0.02 0.00 1.25 0.00 0.00 42.46 41.70 1g1b s ILE 78 CO 0.04 -0.29 -0.09 -0.76 0.24 0.00 0.00 174.94 174.07 1g1b s LEU 79 N -2.96 2.89 -0.29 0.37 1.43 -0.27 -0.65 118.68 119.20 1g1b s LEU 79 Ca 0.17 -0.28 -0.14 0.00 -1.03 0.00 0.00 54.13 52.85 1g1b s LEU 79 Cb 0.03 -1.68 -0.03 0.00 0.03 0.00 0.00 46.19 44.54 1g1b s LEU 79 CO -0.00 0.14 0.33 -0.22 0.23 0.00 0.00 176.35 176.83 1g1b s LEU 80 N 0.49 4.14 0.17 1.79 2.96 0.61 -0.37 118.68 128.48 1g1b s LEU 80 Ca -0.07 0.08 0.08 0.00 -0.22 0.00 0.00 54.13 54.01 1g1b s LEU 80 Cb -0.15 -2.33 -0.04 0.00 0.50 0.00 0.00 46.19 44.17 1g1b s LEU 80 CO 0.04 -0.19 -0.08 0.00 -1.32 0.00 0.00 176.35 174.79 1g1b s ALA 82 N -1.66 2.14 -1.41 0.00 0.00 -0.47 -1.09 121.76 119.27 1g1b s ALA 82 Ca 0.25 -1.25 -0.04 0.00 0.00 0.00 0.00 51.96 50.92 1g1b s ALA 82 Cb -0.09 -1.27 0.00 0.00 0.00 0.00 0.00 23.12 21.76 1g1b s ALA 82 CO 0.15 -0.70 0.35 -0.25 0.00 0.00 0.00 175.76 175.32 1g1b n ASP 83 N 4.64 -0.63 0.00 0.00 8.00 -0.29 -1.59 116.55 126.68 1g1b n ASP 83 Ca -0.16 -1.10 0.00 0.00 0.71 0.00 0.00 54.79 54.23 1g1b n ASP 83 Cb 0.47 -2.58 0.00 0.00 -0.02 0.00 0.00 41.12 38.99 1g1b n ASP 83 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1g1b n GLY 84 N -2.13 0.58 3.63 0.44 0.00 -1.26 -5.01 105.19 101.45 1g1b n GLY 84 Ca -0.29 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.36 1g1b n GLY 84 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1g1b s GLU 85 N -0.46 4.03 0.14 1.61 2.12 -0.62 -4.99 118.70 120.53 1g1b s GLU 85 Ca 0.00 -0.27 -0.31 0.00 0.36 0.00 0.00 54.97 54.75 1g1b s GLU 85 Cb 0.00 -3.59 -0.11 0.00 0.26 0.00 0.00 34.13 30.70 1g1b s GLU 85 CO 0.00 -0.04 1.80 -2.14 -0.54 0.00 0.00 175.26 174.34 1g1b s PRO 86 N 1.35 4.14 -0.02 4.30 0.02 -1.26 -1.37 135.00 142.15 1g1b s PRO 86 Ca 0.08 2.59 0.12 0.00 0.02 0.00 0.00 61.00 63.80 1g1b s PRO 86 Cb -0.15 -3.48 -0.18 0.00 0.02 0.00 0.00 34.50 30.72 1g1b s PRO 86 CO 0.07 -0.82 0.24 0.91 -0.33 0.00 0.00 177.00 177.08 1g1b n TRP 87 N 5.29 0.00 -3.63 6.54 7.02 0.89 -4.69 117.44 128.86 1g1b n TRP 87 Ca 0.17 0.00 -0.16 0.00 -1.02 0.00 0.00 57.50 56.50 1g1b n TRP 87 Cb 0.38 -0.29 -0.07 0.00 -2.42 0.00 0.00 31.31 28.90 1g1b n TRP 87 CO 0.00 0.00 0.00 -1.17 -2.02 0.00 0.00 177.69 174.50 1g1b s LEU 88 N -3.90 0.07 -0.13 -0.99 0.20 -0.99 -1.35 118.68 111.59 1g1b s LEU 88 Ca -0.04 0.39 -0.01 0.00 0.69 0.00 0.00 54.13 55.15 1g1b s LEU 88 Cb 0.07 1.93 -0.02 0.00 -0.43 0.00 0.00 46.19 47.74 1g1b s LEU 88 CO 0.49 -0.55 -0.09 0.00 -0.29 0.00 0.00 176.35 175.92 1g1b s ALA 89 N -1.36 2.82 -0.04 5.97 0.00 0.34 -0.28 121.76 129.21 1g1b s ALA 89 Ca -0.12 -0.87 0.05 0.00 0.00 0.00 0.00 51.96 51.03 1g1b s ALA 89 Cb -0.02 -1.34 -0.01 0.00 0.00 0.00 0.00 23.12 21.75 1g1b s ALA 89 CO 0.06 0.30 -0.20 0.20 0.00 0.00 0.00 175.76 176.12 1g1b s GLY 90 N 0.14 1.05 -0.07 0.00 0.00 0.18 -0.94 107.32 107.68 1g1b s GLY 90 Ca -0.04 -0.85 -0.02 0.00 0.00 0.00 0.00 44.72 43.81 1g1b s GLY 90 CO 0.04 -0.56 0.03 -1.60 0.00 0.00 0.00 173.10 171.01 1g1b s ARG 91 N -0.18 0.28 -0.06 2.90 3.52 0.47 -1.06 118.95 124.82 1g1b s ARG 91 Ca 0.00 0.20 0.05 0.00 -0.13 0.00 0.00 55.73 55.86 1g1b s ARG 91 Cb -0.11 -0.84 -0.02 0.00 -1.56 0.00 0.00 34.95 32.43 1g1b s ARG 91 CO 0.02 -0.34 -0.21 0.99 -0.81 0.00 0.00 175.30 174.95 1g1b s THR 92 N 2.06 2.46 -0.14 4.11 2.01 -0.15 0.50 115.64 126.49 1g1b s THR 92 Ca 0.05 -0.93 0.00 0.00 0.31 0.00 0.00 61.69 61.12 1g1b s THR 92 Cb -0.12 -1.93 0.02 0.00 0.01 0.00 0.00 72.50 70.48 1g1b s THR 92 CO -0.04 0.57 -0.14 -0.69 -0.69 0.00 0.00 174.62 173.63 1g1b s VAL 93 N -0.34 1.53 -0.22 3.82 1.01 0.80 -0.89 120.40 126.11 1g1b s VAL 93 Ca 0.02 -0.61 0.02 0.00 0.00 0.00 0.00 61.98 61.41 1g1b s VAL 93 Cb -0.12 -1.43 0.04 0.00 0.00 0.00 0.00 36.38 34.86 1g1b s VAL 93 CO 0.02 0.45 -0.15 -0.69 0.00 0.00 0.00 175.10 174.73 1g1b s VAL 94 N 1.46 2.17 0.55 2.92 1.01 0.12 -0.42 120.40 128.21 1g1b s VAL 94 Ca 0.04 -1.22 -0.21 0.00 0.00 0.00 0.00 61.98 60.58 1g1b s VAL 94 Cb -0.13 -2.08 -0.05 0.00 0.00 0.00 0.00 36.38 34.13 1g1b s VAL 94 CO -0.10 0.29 1.33 -2.84 0.00 0.00 0.00 175.10 173.78 1g1b s PRO 95 N 1.22 3.14 0.53 2.72 0.02 -1.26 -0.17 135.00 141.20 1g1b s PRO 95 Ca -0.01 2.17 0.23 0.00 0.02 0.00 0.00 61.00 63.41 1g1b s PRO 95 Cb -0.16 -2.23 1.47 0.00 0.02 0.00 0.00 34.50 33.60 1g1b s PRO 95 CO -0.09 -1.17 2.15 -0.24 -0.33 0.00 0.00 177.00 177.32 1g1b h VAL 96 N 1.39 0.75 0.00 3.83 3.04 -1.66 -0.12 116.25 123.49 1g1b h VAL 96 Ca -0.51 -0.22 -0.01 0.00 -1.01 0.00 0.00 66.70 64.95 1g1b h VAL 96 Cb 1.30 1.13 -0.00 0.00 -2.01 0.00 0.00 31.29 31.71 1g1b h VAL 96 CO 0.57 0.06 -0.04 0.77 -1.01 0.00 0.00 177.57 177.92 1g1b h SER 97 N 0.00 0.00 1.03 3.17 4.64 -1.89 -0.79 113.55 119.71 1g1b h SER 97 Ca -0.00 0.00 -0.13 0.00 -0.47 0.00 0.00 61.79 61.19 1g1b h SER 97 Cb 0.13 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.20 1g1b h SER 97 CO 0.01 0.04 -0.63 0.74 -0.87 0.00 0.00 176.83 176.12 1g1b h THR 98 N 0.00 1.21 -0.72 2.95 2.02 -1.31 -3.40 112.91 113.65 1g1b h THR 98 Ca -0.00 -2.36 -0.61 0.00 0.77 0.00 0.00 66.41 64.21 1g1b h THR 98 Cb 0.09 2.37 -0.07 0.00 -1.74 0.00 0.00 68.15 68.80 1g1b h THR 98 CO 0.01 0.62 2.01 0.18 0.37 0.00 0.00 175.52 178.70 1g1b n LEU 99 N -3.44 4.62 -3.52 2.58 4.77 -0.31 -4.40 117.00 117.30 1g1b n LEU 99 Ca 0.00 -3.76 -0.10 0.00 -0.03 0.00 0.00 56.01 52.13 1g1b n LEU 99 Cb 0.71 -1.74 -0.03 0.00 -2.33 0.00 0.00 43.42 40.04 1g1b n LEU 99 CO 0.42 -0.24 0.68 -0.94 -1.33 0.00 0.00 177.39 175.98 1g1b s SER 100 N 4.67 -0.39 0.65 -1.43 1.04 -1.26 -4.65 113.70 112.33 1g1b s SER 100 Ca 0.57 0.16 0.00 0.00 0.48 0.00 0.00 55.95 57.16 1g1b s SER 100 Cb 0.04 0.38 0.00 0.00 0.10 0.00 0.00 66.02 66.54 1g1b s SER 100 CO 0.08 -0.56 0.00 0.61 0.98 0.00 0.00 173.24 174.36 1g1b n GLY 101 N 0.09 1.24 0.23 7.32 0.00 -1.26 -2.37 105.19 110.43 1g1b n GLY 101 Ca -0.10 -0.68 0.06 0.00 0.00 0.00 0.00 46.02 45.30 1g1b n GLY 101 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1g1b h PRO 102 N 0.00 0.00 0.00 1.61 0.11 -1.99 -1.96 132.00 129.77 1g1b h PRO 102 Ca 0.00 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.11 1g1b h PRO 102 Cb 0.00 -0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.11 1g1b h PRO 102 CO 0.00 0.15 0.00 0.39 -0.21 0.00 0.00 178.00 178.33 1g1b n GLU 103 N -4.37 0.08 0.28 1.05 4.71 -1.00 -1.90 120.64 119.49 1g1b n GLU 103 Ca -0.03 0.23 0.13 0.00 -0.01 0.00 0.00 57.16 57.48 1g1b n GLU 103 Cb 0.21 -1.50 0.82 0.00 -1.01 0.00 0.00 31.44 29.96 1g1b n GLU 103 CO 0.00 0.00 0.00 1.25 0.09 0.00 0.00 177.13 178.47 1g1b h LEU 104 N 0.00 0.00 -1.80 -4.62 6.46 -1.33 -2.20 115.31 111.83 1g1b h LEU 104 Ca 0.00 0.00 0.17 0.00 -0.12 0.00 0.00 57.88 57.93 1g1b h LEU 104 Cb 0.18 0.00 -0.04 0.00 -0.73 0.00 0.00 40.66 40.07 1g1b h LEU 104 CO 0.00 0.03 0.48 0.00 -0.62 0.00 0.00 178.44 178.33 1g1b h ALA 105 N 1.97 2.38 -0.06 1.25 0.00 -1.60 -2.59 119.26 120.61 1g1b h ALA 105 Ca -0.00 -0.01 0.02 0.00 0.00 0.00 0.00 54.91 54.92 1g1b h ALA 105 Cb 0.07 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 17.86 1g1b h ALA 105 CO 0.00 -0.58 0.06 -0.07 0.00 0.00 0.00 179.25 178.67 1g1b h LEU 106 N 0.19 0.00 -1.12 0.00 3.38 -1.64 0.76 115.31 116.88 1g1b h LEU 106 Ca 0.34 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.31 1g1b h LEU 106 Cb 1.06 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.81 1g1b h LEU 106 CO -0.06 0.00 -0.17 0.00 0.09 0.00 0.00 178.44 178.29 1g1b n GLN 107 N -4.05 1.54 -0.12 1.13 10.64 -0.98 -4.34 117.38 121.21 1g1b n GLN 107 Ca -0.01 -1.12 0.05 0.00 -1.83 0.00 0.00 57.00 54.08 1g1b n GLN 107 Cb 0.16 -1.48 0.11 0.00 -0.86 0.00 0.00 30.24 28.17 1g1b n GLN 107 CO 0.00 0.00 0.00 1.63 -1.83 0.00 0.00 177.06 176.86 1g1b n LYS 108 N 0.25 2.33 0.07 2.61 5.02 0.21 -4.74 118.16 123.91 1g1b n LYS 108 Ca 0.14 -1.78 -0.13 0.00 -2.02 0.00 0.00 58.31 54.52 1g1b n LYS 108 Cb 0.45 -1.22 -0.07 0.00 -0.02 0.00 0.00 35.03 34.16 1g1b n LYS 108 CO 0.00 0.00 0.00 -0.07 -0.52 0.00 0.00 177.40 176.81 1g1b h LEU 109 N 1.78 -0.08 0.00 -0.35 3.38 -1.60 -3.47 115.31 114.97 1g1b h LEU 109 Ca 0.00 -0.03 0.00 0.00 0.09 0.00 0.00 57.88 57.94 1g1b h LEU 109 Cb 0.63 0.02 0.00 0.00 0.09 0.00 0.00 40.66 41.40 1g1b h LEU 109 CO 0.00 -0.02 0.00 0.61 0.09 0.00 0.00 178.44 179.12 1g1b n GLY 110 N -1.02 3.81 0.00 0.83 0.00 -1.26 -1.57 105.19 105.97 1g1b n GLY 110 Ca -0.08 -0.01 0.14 0.00 0.00 0.00 0.00 46.02 46.08 1g1b n GLY 110 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1g1b n LYS 111 N 13.73 0.77 -2.95 1.61 4.76 -1.26 -4.79 118.16 130.03 1g1b n LYS 111 Ca 0.00 0.01 -0.41 0.00 -2.87 0.00 0.00 58.31 55.04 1g1b n LYS 111 Cb 0.00 -1.50 -0.05 0.00 -1.84 0.00 0.00 35.03 31.64 1g1b n LYS 111 CO 0.00 0.00 0.00 0.99 -1.37 0.00 0.00 177.40 177.02 1g1b s THR 112 N -2.15 4.91 0.17 -0.18 2.01 -0.61 -4.11 115.64 115.68 1g1b s THR 112 Ca 0.39 1.50 -0.30 0.00 0.31 0.00 0.00 61.69 63.59 1g1b s THR 112 Cb 0.19 -4.08 -0.08 0.00 0.01 0.00 0.00 72.50 68.55 1g1b s THR 112 CO 0.35 0.04 1.21 -2.16 -0.69 0.00 0.00 174.62 173.37 1g1b s PRO 113 N 2.18 4.47 0.61 4.92 0.04 -1.26 -4.84 135.00 141.12 1g1b s PRO 113 Ca 0.35 1.88 -0.19 0.00 0.04 0.00 0.00 61.00 63.08 1g1b s PRO 113 Cb -0.16 -3.25 -0.03 0.00 0.04 0.00 0.00 34.50 31.10 1g1b s PRO 113 CO 0.11 -0.13 1.26 -1.17 0.04 0.00 0.00 177.00 177.11 1g1b s LEU 114 N -0.05 3.65 0.00 -3.56 2.96 -1.26 -4.97 118.68 115.45 1g1b s LEU 114 Ca 0.54 2.52 0.00 0.00 -0.22 0.00 0.00 54.13 56.97 1g1b s LEU 114 Cb -0.33 -4.58 0.00 0.00 0.50 0.00 0.00 46.19 41.79 1g1b s LEU 114 CO 0.36 -1.76 0.00 0.61 -1.32 0.00 0.00 176.35 174.24 1g1b n GLY 115 N 0.69 1.01 0.36 7.98 0.00 -1.26 -4.40 105.19 109.58 1g1b n GLY 115 Ca 0.14 -0.54 0.11 0.00 0.00 0.00 0.00 46.02 45.73 1g1b n GLY 115 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 1g1b h ARG 116 N 0.00 0.58 -0.41 1.61 2.43 -1.94 0.04 114.38 116.69 1g1b h ARG 116 Ca 0.00 -0.03 0.12 0.00 -0.81 0.00 0.00 59.98 59.25 1g1b h ARG 116 Cb 0.00 -0.13 -0.02 0.00 -0.42 0.00 0.00 29.97 29.40 1g1b h ARG 116 CO 0.00 0.38 0.48 0.10 -1.51 0.00 0.00 179.97 179.43 1g1b h TYR 117 N 0.60 0.00 0.00 2.20 -0.00 -1.97 -1.25 116.97 116.54 1g1b h TYR 117 Ca 0.36 0.00 0.00 0.00 0.00 0.00 0.00 58.73 59.09 1g1b h TYR 117 Cb 0.58 0.00 0.00 0.00 0.00 0.00 0.00 36.73 37.31 1g1b h TYR 117 CO -0.00 0.00 0.00 -0.07 -0.00 0.00 0.00 178.16 178.09 1g1b h LEU 118 N 0.00 0.00 -7.36 0.10 3.38 -1.36 -3.39 115.31 106.69 1g1b h LEU 118 Ca 0.19 0.00 -0.69 0.00 0.09 0.00 0.00 57.88 57.48 1g1b h LEU 118 Cb 1.16 0.00 -0.37 0.00 0.09 0.00 0.00 40.66 41.54 1g1b h LEU 118 CO -0.00 0.00 -0.27 -0.36 0.09 0.00 0.00 178.44 177.90 1g1b s PHE 119 N -3.21 3.66 -0.70 1.13 0.40 -0.47 -4.90 117.98 113.89 1g1b s PHE 119 Ca 0.07 -2.98 0.26 0.00 -0.60 0.00 0.00 56.93 53.68 1g1b s PHE 119 Cb 0.06 -3.13 0.83 0.00 0.51 0.00 0.00 43.02 41.29 1g1b s PHE 119 CO 0.66 -0.74 1.77 0.25 0.70 0.00 0.00 175.22 177.86 1g1b n THR 120 N 2.66 0.62 -1.22 0.64 -2.24 -1.26 -3.00 114.28 110.49 1g1b n THR 120 Ca 0.16 -0.22 0.08 0.00 -2.27 0.00 0.00 64.05 61.80 1g1b n THR 120 Cb 0.37 -0.66 0.18 0.00 -2.10 0.00 0.00 70.33 68.12 1g1b n THR 120 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 1g1b n SER 121 N -2.26 2.41 -4.16 3.42 3.41 -1.26 -4.98 113.62 110.20 1g1b n SER 121 Ca 0.05 -3.34 -0.32 0.00 -0.26 0.00 0.00 58.87 55.00 1g1b n SER 121 Cb 0.41 -0.49 -0.16 0.00 -0.26 0.00 0.00 64.21 63.70 1g1b n SER 121 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 1g1b s SER 122 N -2.81 3.07 0.23 4.04 0.01 -1.16 -4.99 113.70 112.10 1g1b s SER 122 Ca 0.36 -0.60 -0.30 0.00 1.31 0.00 0.00 55.95 56.73 1g1b s SER 122 Cb 0.32 -1.43 -0.09 0.00 0.21 0.00 0.00 66.02 65.04 1g1b s SER 122 CO 0.01 0.07 1.09 0.42 0.41 0.00 0.00 173.24 175.24 1g1b s THR 123 N 0.84 3.69 -0.18 1.44 -4.23 -1.26 -4.76 115.64 111.17 1g1b s THR 123 Ca -0.07 1.59 -0.02 0.00 -1.18 0.00 0.00 61.69 62.01 1g1b s THR 123 Cb -0.15 -4.01 -0.01 0.00 1.34 0.00 0.00 72.50 69.66 1g1b s THR 123 CO -0.02 0.34 -0.07 -0.22 -0.54 0.00 0.00 174.62 174.10 1g1b s LEU 124 N -0.98 2.88 0.36 4.79 2.96 -1.26 -0.58 118.68 126.84 1g1b s LEU 124 Ca 0.46 -0.33 0.03 0.00 -0.22 0.00 0.00 54.13 54.08 1g1b s LEU 124 Cb -0.30 -1.70 -0.04 0.00 0.50 0.00 0.00 46.19 44.64 1g1b s LEU 124 CO 0.38 0.07 0.10 0.42 -1.32 0.00 0.00 176.35 176.00 1g1b s THR 125 N 0.91 0.82 -0.05 3.68 -4.23 -0.71 -5.00 115.64 111.05 1g1b s THR 125 Ca -0.01 -2.00 -0.02 0.00 -1.18 0.00 0.00 61.69 58.48 1g1b s THR 125 Cb -0.15 -2.56 0.03 0.00 1.34 0.00 0.00 72.50 71.17 1g1b s THR 125 CO 0.01 0.00 0.09 -0.60 -0.54 0.00 0.00 174.62 173.57 1g1b s ARG 126 N -3.83 -0.00 -0.04 3.99 3.52 -1.26 -1.66 118.95 119.67 1g1b s ARG 126 Ca 0.31 0.34 -0.24 0.00 -0.13 0.00 0.00 55.73 56.00 1g1b s ARG 126 Cb 0.06 -0.29 -0.22 0.00 -1.56 0.00 0.00 34.95 32.94 1g1b s ARG 126 CO 0.15 -0.23 1.10 -0.44 -0.81 0.00 0.00 175.30 175.07 1g1b h ASP 127 N 7.70 0.20 -4.99 -2.12 5.19 -1.37 -3.49 116.42 117.53 1g1b h ASP 127 Ca -0.33 -0.69 0.04 0.00 -0.62 0.00 0.00 57.03 55.43 1g1b h ASP 127 Cb 1.12 -0.06 -0.09 0.00 0.18 0.00 0.00 39.33 40.48 1g1b h ASP 127 CO 0.34 0.86 0.27 0.72 -3.12 0.00 0.00 179.24 178.31 1g1b s PHE 128 N -3.44 -0.35 -0.03 4.55 -0.12 -1.23 -5.00 117.98 112.36 1g1b s PHE 128 Ca -0.16 0.05 -0.01 0.00 -0.05 0.00 0.00 56.93 56.76 1g1b s PHE 128 Cb 0.01 0.62 0.02 0.00 -0.63 0.00 0.00 43.02 43.05 1g1b s PHE 128 CO 0.73 -0.96 0.06 -1.50 -0.05 0.00 0.00 175.22 173.49 1g1b s ILE 129 N -3.71 -0.03 0.04 -4.49 1.10 -1.26 -2.12 121.20 110.73 1g1b s ILE 129 Ca 0.06 0.13 0.07 0.00 -0.51 0.00 0.00 60.65 60.39 1g1b s ILE 129 Cb -0.03 -0.11 -0.02 0.00 0.15 0.00 0.00 42.46 42.45 1g1b s ILE 129 CO -0.04 0.05 -0.19 -1.83 -2.11 0.00 0.00 174.94 170.82 1g1b s GLU 130 N 0.68 1.26 -0.09 3.50 -1.05 -0.09 -4.54 118.70 118.38 1g1b s GLU 130 Ca -0.06 -0.89 -0.04 0.00 -0.15 0.00 0.00 54.97 53.83 1g1b s GLU 130 Cb -0.08 -1.35 -0.04 0.00 -0.44 0.00 0.00 34.13 32.22 1g1b s GLU 130 CO -0.02 0.34 0.09 0.42 0.95 0.00 0.00 175.26 177.04 1g1b s ILE 131 N -0.81 5.03 0.20 1.83 -1.09 0.23 -1.18 121.20 125.41 1g1b s ILE 131 Ca 0.06 -0.04 0.02 0.00 -2.23 0.00 0.00 60.65 58.46 1g1b s ILE 131 Cb -0.08 -3.19 -0.01 0.00 -1.58 0.00 0.00 42.46 37.59 1g1b s ILE 131 CO 0.02 0.56 0.09 0.61 -1.23 0.00 0.00 174.94 174.98 1g1b n GLY 132 N 1.85 3.63 3.50 6.18 0.00 0.68 -1.97 105.19 119.05 1g1b n GLY 132 Ca -0.18 -1.98 -0.09 0.00 0.00 0.00 0.00 46.02 43.78 1g1b n GLY 132 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1g1b s ARG 133 N -2.77 0.86 -0.29 1.61 3.03 -0.61 -0.99 118.95 119.78 1g1b s ARG 133 Ca 0.12 -0.32 -0.25 0.00 2.03 0.00 0.00 55.73 57.32 1g1b s ARG 133 Cb 0.01 0.40 0.16 0.00 -1.03 0.00 0.00 34.95 34.48 1g1b s ARG 133 CO 0.09 -0.38 1.25 0.34 -1.13 0.00 0.00 175.30 175.47 1g1b s ASP 134 N -2.50 -0.24 -1.24 -2.89 -1.08 -0.76 -0.79 116.67 107.16 1g1b s ASP 134 Ca 0.05 0.46 0.00 0.00 -0.52 0.00 0.00 52.55 52.54 1g1b s ASP 134 Cb -0.01 0.48 0.00 0.00 -1.46 0.00 0.00 42.92 41.93 1g1b s ASP 134 CO -0.09 -0.08 0.00 0.00 0.52 0.00 0.00 175.17 175.52 1g1b n ALA 135 N 1.90 -0.66 -0.04 3.66 0.00 -1.26 -1.27 120.51 122.82 1g1b n ALA 135 Ca -0.11 0.13 0.00 0.00 0.00 0.00 0.00 53.44 53.46 1g1b n ALA 135 Cb 0.56 -1.61 0.00 0.00 0.00 0.00 0.00 19.45 18.41 1g1b n ALA 135 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1g1b n GLY 136 N -0.75 0.41 3.53 0.00 0.00 -1.26 -5.06 105.19 102.05 1g1b n GLY 136 Ca -0.16 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.56 1g1b n GLY 136 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1g1b s LEU 137 N 0.00 2.85 0.11 0.99 1.43 -0.40 -5.09 118.68 118.58 1g1b s LEU 137 Ca 0.00 -0.45 -0.08 0.00 -1.03 0.00 0.00 54.13 52.57 1g1b s LEU 137 Cb 0.00 -1.67 -0.06 0.00 0.03 0.00 0.00 46.19 44.49 1g1b s LEU 137 CO 0.00 0.19 0.39 0.26 0.23 0.00 0.00 176.35 177.43 1g1b s TRP 138 N -1.14 3.53 0.34 0.29 0.52 -1.26 -1.83 118.94 119.39 1g1b s TRP 138 Ca 0.19 0.69 0.01 0.00 0.02 0.00 0.00 56.10 57.01 1g1b s TRP 138 Cb -0.11 -2.10 -0.00 0.00 -1.15 0.00 0.00 33.47 30.11 1g1b s TRP 138 CO 0.11 0.47 0.42 0.41 0.02 0.00 0.00 176.95 178.38 1g1b n GLY 139 N 0.52 2.36 3.42 0.98 0.00 -0.16 -1.84 105.19 110.47 1g1b n GLY 139 Ca -0.05 -1.70 -0.12 0.00 0.00 0.00 0.00 46.02 44.15 1g1b n GLY 139 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1g1b s ARG 140 N -2.95 1.27 0.01 1.61 1.70 0.73 -0.23 118.95 121.09 1g1b s ARG 140 Ca 0.32 -0.44 0.02 0.00 -0.47 0.00 0.00 55.73 55.15 1g1b s ARG 140 Cb -0.00 0.59 -0.01 0.00 -0.57 0.00 0.00 34.95 34.95 1g1b s ARG 140 CO 0.23 -0.55 -0.06 0.50 -1.08 0.00 0.00 175.30 174.34 1g1b s ARG 141 N -3.65 0.44 0.03 3.89 3.52 -0.33 -1.06 118.95 121.79 1g1b s ARG 141 Ca 0.01 -0.41 -0.12 0.00 -0.13 0.00 0.00 55.73 55.07 1g1b s ARG 141 Cb -0.01 -0.33 0.01 0.00 -1.56 0.00 0.00 34.95 33.07 1g1b s ARG 141 CO -0.12 0.08 0.26 -1.54 -0.81 0.00 0.00 175.30 173.16 1g1b s SER 142 N -0.73 -0.08 -0.34 -2.12 1.04 -0.33 -0.92 113.70 110.23 1g1b s SER 142 Ca -0.03 -0.19 -0.09 0.00 0.48 0.00 0.00 55.95 56.11 1g1b s SER 142 Cb -0.05 0.31 0.02 0.00 0.10 0.00 0.00 66.02 66.40 1g1b s SER 142 CO 0.00 -0.54 0.15 -0.60 0.98 0.00 0.00 173.24 173.23 1g1b s ARG 143 N -2.21 2.98 0.28 4.02 3.52 -0.90 -1.19 118.95 125.45 1g1b s ARG 143 Ca -0.08 -0.96 0.08 0.00 -0.13 0.00 0.00 55.73 54.65 1g1b s ARG 143 Cb -0.02 -3.58 -0.04 0.00 -1.56 0.00 0.00 34.95 29.75 1g1b s ARG 143 CO -0.02 -0.57 0.11 -0.51 -0.81 0.00 0.00 175.30 173.51 1g1b s LEU 144 N 1.54 3.44 0.00 -0.88 1.43 -0.10 -0.90 118.68 123.21 1g1b s LEU 144 Ca 0.02 -0.54 0.03 0.00 -1.03 0.00 0.00 54.13 52.62 1g1b s LEU 144 Cb -0.18 -1.96 -0.01 0.00 0.03 0.00 0.00 46.19 44.07 1g1b s LEU 144 CO 0.05 -0.10 -0.10 -0.13 0.23 0.00 0.00 176.35 176.29 1g1b s ARG 145 N -3.79 0.80 -0.12 1.70 0.52 -0.67 -0.49 118.95 116.90 1g1b s ARG 145 Ca 0.34 -0.45 0.02 0.00 -0.52 0.00 0.00 55.73 55.12 1g1b s ARG 145 Cb -0.06 -0.76 0.01 0.00 0.52 0.00 0.00 34.95 34.66 1g1b s ARG 145 CO 0.23 0.20 -0.18 -0.51 0.02 0.00 0.00 175.30 175.06 1g1b s LEU 146 N -0.50 1.88 -1.35 2.53 1.43 -0.83 -1.74 118.68 120.09 1g1b s LEU 146 Ca 0.02 -0.50 -0.08 0.00 -1.03 0.00 0.00 54.13 52.55 1g1b s LEU 146 Cb -0.05 -1.23 0.05 0.00 0.03 0.00 0.00 46.19 44.99 1g1b s LEU 146 CO -0.00 0.04 0.51 -1.20 0.23 0.00 0.00 176.35 175.93 1g1b n SER 147 N 4.15 -4.41 0.00 2.29 7.64 0.25 -1.70 113.62 121.85 1g1b n SER 147 Ca -0.19 -0.34 0.00 0.00 1.01 0.00 0.00 58.87 59.34 1g1b n SER 147 Cb 0.51 -3.62 0.00 0.00 -1.01 0.00 0.00 64.21 60.10 1g1b n SER 147 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1g1b n GLY 148 N -1.26 1.64 3.70 0.23 0.00 -1.26 -5.02 105.19 103.22 1g1b n GLY 148 Ca -0.05 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.60 1g1b n GLY 148 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1g1b s LYS 149 N -0.00 4.23 0.67 1.61 1.02 -0.69 -4.95 119.74 121.64 1g1b s LYS 149 Ca 0.00 0.16 -0.14 0.00 0.02 0.00 0.00 55.97 56.02 1g1b s LYS 149 Cb 0.00 -3.47 0.01 0.00 -0.52 0.00 0.00 37.83 33.84 1g1b s LYS 149 CO 0.00 0.12 1.09 -1.25 -0.92 0.00 0.00 175.35 174.39 1g1b s PRO 150 N 0.81 2.79 -0.13 -1.68 0.04 -1.26 -1.97 135.00 133.60 1g1b s PRO 150 Ca 0.18 1.27 -0.23 0.00 0.04 0.00 0.00 61.00 62.26 1g1b s PRO 150 Cb -0.14 -1.96 0.06 0.00 0.04 0.00 0.00 34.50 32.50 1g1b s PRO 150 CO 0.06 -1.24 0.58 -0.48 0.04 0.00 0.00 177.00 175.96 1g1b s LEU 151 N -5.08 -0.22 -0.20 -3.56 2.34 0.36 -4.28 118.68 108.04 1g1b s LEU 151 Ca 0.64 0.87 -0.05 0.00 0.06 0.00 0.00 54.13 55.64 1g1b s LEU 151 Cb -0.18 2.08 -0.02 0.00 -0.56 0.00 0.00 46.19 47.50 1g1b s LEU 151 CO 0.45 -0.38 0.01 -0.22 -1.06 0.00 0.00 176.35 175.15 1g1b s LEU 152 N -0.43 3.29 -0.16 1.48 2.96 0.44 -0.92 118.68 125.33 1g1b s LEU 152 Ca -0.06 -0.19 0.02 0.00 -0.22 0.00 0.00 54.13 53.67 1g1b s LEU 152 Cb -0.03 -1.84 0.02 0.00 0.50 0.00 0.00 46.19 44.84 1g1b s LEU 152 CO 0.04 0.06 -0.21 -0.22 -1.32 0.00 0.00 176.35 174.70 1g1b s LEU 153 N 1.05 2.13 -0.10 -0.68 2.96 -0.33 -0.14 118.68 123.57 1g1b s LEU 153 Ca 0.02 -0.63 0.03 0.00 -0.22 0.00 0.00 54.13 53.33 1g1b s LEU 153 Cb -0.14 -1.47 -0.01 0.00 0.50 0.00 0.00 46.19 45.07 1g1b s LEU 153 CO 0.02 0.03 -0.20 -0.89 -1.32 0.00 0.00 176.35 173.99 1g1b s THR 154 N 1.09 2.45 -0.02 3.68 2.01 0.18 -1.19 115.64 123.85 1g1b s THR 154 Ca -0.00 -0.89 0.01 0.00 0.31 0.00 0.00 61.69 61.12 1g1b s THR 154 Cb -0.14 -1.97 0.01 0.00 0.01 0.00 0.00 72.50 70.41 1g1b s THR 154 CO -0.08 0.55 -0.04 -1.61 -0.69 0.00 0.00 174.62 172.75 1g1b s GLU 155 N 0.23 0.48 -0.13 4.92 2.02 -0.23 -0.39 118.70 125.60 1g1b s GLU 155 Ca -0.13 -0.13 0.02 0.00 0.02 0.00 0.00 54.97 54.75 1g1b s GLU 155 Cb -0.16 -0.50 0.01 0.00 0.10 0.00 0.00 34.13 33.58 1g1b s GLU 155 CO 0.07 0.04 -0.20 -1.17 0.02 0.00 0.00 175.26 174.02 1g1b s LEU 156 N 0.24 1.98 -0.35 1.80 2.96 -0.12 -0.20 118.68 124.99 1g1b s LEU 156 Ca -0.02 -0.54 -0.19 0.00 -0.22 0.00 0.00 54.13 53.15 1g1b s LEU 156 Cb -0.06 -1.32 -0.00 0.00 0.50 0.00 0.00 46.19 45.30 1g1b s LEU 156 CO -0.00 0.06 0.57 -0.36 -1.32 0.00 0.00 176.35 175.30 1g1b s PHE 157 N 0.85 3.17 0.59 5.38 0.40 -0.77 -0.51 117.98 127.08 1g1b s PHE 157 Ca -0.08 0.25 -0.13 0.00 -0.60 0.00 0.00 56.93 56.37 1g1b s PHE 157 Cb -0.15 -3.03 -0.05 0.00 0.51 0.00 0.00 43.02 40.30 1g1b s PHE 157 CO -0.01 -0.59 1.01 -0.51 0.70 0.00 0.00 175.22 175.83 1g1b s LEU 158 N 2.54 3.36 0.40 -0.37 1.43 -0.46 -4.33 118.68 121.25 1g1b s LEU 158 Ca 0.21 1.47 0.16 0.00 -1.03 0.00 0.00 54.13 54.94 1g1b s LEU 158 Cb -0.15 -4.48 1.04 0.00 0.03 0.00 0.00 46.19 42.63 1g1b s LEU 158 CO 0.14 -0.78 1.82 -0.65 0.23 0.00 0.00 176.35 177.11 1g1b h PRO 159 N 0.08 0.44 0.00 1.29 0.11 -1.89 -1.73 132.00 130.30 1g1b h PRO 159 Ca -0.45 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.63 1g1b h PRO 159 Cb 1.19 -0.10 0.00 0.00 0.11 0.00 0.00 31.00 32.20 1g1b h PRO 159 CO 0.62 0.29 0.00 0.00 -0.21 0.00 0.00 178.00 178.70 1g1b n ALA 160 N -2.48 2.48 -1.57 -0.75 0.00 -1.26 -4.73 120.51 112.20 1g1b n ALA 160 Ca 0.22 -0.15 -0.31 0.00 0.00 0.00 0.00 53.44 53.19 1g1b n ALA 160 Cb 0.73 -1.47 0.04 0.00 0.00 0.00 0.00 19.45 18.76 1g1b n ALA 160 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 1g1b s SER 161 N -2.37 5.43 0.00 0.00 1.04 -0.65 -4.94 113.70 112.21 1g1b s SER 161 Ca 0.33 1.67 0.14 0.00 0.48 0.00 0.00 55.95 58.57 1g1b s SER 161 Cb 0.20 -2.50 0.77 0.00 0.10 0.00 0.00 66.02 64.58 1g1b s SER 161 CO 0.40 -1.41 1.34 -0.81 0.98 0.00 0.00 173.24 173.74 1g1b n PRO 162 N -2.92 0.30 0.24 4.02 -0.04 -1.26 -2.73 135.00 132.61 1g1b n PRO 162 Ca 0.08 0.09 0.16 0.00 -0.04 0.00 0.00 63.50 63.79 1g1b n PRO 162 Cb 0.53 -1.50 0.59 0.00 -0.04 0.00 0.00 33.50 33.08 1g1b n PRO 162 CO 0.00 0.00 0.00 1.25 -0.04 0.00 0.00 175.50 176.71 1g1b h LEU 163 N 0.00 0.00 -1.40 1.53 5.85 -1.92 -3.52 115.31 115.86 1g1b h LEU 163 Ca 0.00 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.72 1g1b h LEU 163 Cb 0.08 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.11 1g1b h LEU 163 CO 0.00 0.00 0.00 -1.22 -0.34 0.00 0.00 178.44 176.88