#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2g0b n PRO 3 N 0.00 0.00 -1.94 -0.78 -0.01 -1.26 -4.92 135.00 126.09 2g0b n PRO 3 Ca 0.00 0.00 -0.37 0.00 -0.01 0.00 0.00 63.50 63.12 2g0b n PRO 3 Cb 0.00 -0.81 0.03 0.00 -0.01 0.00 0.00 33.50 32.71 2g0b n PRO 3 CO 0.00 0.00 0.00 0.50 -0.01 0.00 0.00 175.50 175.99 2g0b s ARG 4 N 4.91 3.12 -0.24 -0.52 3.52 -1.25 -4.96 118.95 123.53 2g0b s ARG 4 Ca 0.76 2.00 0.02 0.00 -0.13 0.00 0.00 55.73 58.38 2g0b s ARG 4 Cb -0.68 -2.12 0.05 0.00 -1.56 0.00 0.00 34.95 30.64 2g0b s ARG 4 CO 0.28 -1.14 -0.12 0.15 -0.81 0.00 0.00 175.30 173.67 2g0b s LYS 5 N -3.07 2.27 -0.19 5.12 -0.14 -1.26 -3.06 119.74 119.40 2g0b s LYS 5 Ca 0.74 -1.20 -0.02 0.00 -1.36 0.00 0.00 55.97 54.13 2g0b s LYS 5 Cb -0.35 -2.78 -0.00 0.00 -1.68 0.00 0.00 37.83 33.02 2g0b s LYS 5 CO 0.40 -0.51 -0.11 0.08 -0.76 0.00 0.00 175.35 174.45 2g0b s VAL 6 N 1.18 2.91 -0.25 3.17 1.01 -0.32 -4.98 120.40 123.12 2g0b s VAL 6 Ca -0.06 -0.66 -0.06 0.00 0.00 0.00 0.00 61.98 61.20 2g0b s VAL 6 Cb -0.19 -2.28 -0.01 0.00 0.00 0.00 0.00 36.38 33.90 2g0b s VAL 6 CO -0.06 0.48 0.03 0.00 0.00 0.00 0.00 175.10 175.54 2g0b s ALA 7 N 1.23 3.02 0.12 5.51 0.00 -1.26 0.79 121.76 131.17 2g0b s ALA 7 Ca 0.03 -1.21 -0.12 0.00 0.00 0.00 0.00 51.96 50.66 2g0b s ALA 7 Cb -0.14 -1.96 0.01 0.00 0.00 0.00 0.00 23.12 21.02 2g0b s ALA 7 CO -0.05 -0.56 0.29 0.50 0.00 0.00 0.00 175.76 175.94 2g0b s ARG 8 N 1.54 1.00 0.15 0.00 3.52 0.11 -4.99 118.95 120.28 2g0b s ARG 8 Ca 0.05 -0.91 -0.22 0.00 -0.13 0.00 0.00 55.73 54.52 2g0b s ARG 8 Cb -0.15 0.40 -0.08 0.00 -1.56 0.00 0.00 34.95 33.56 2g0b s ARG 8 CO 0.01 -0.36 0.70 -1.50 -0.81 0.00 0.00 175.30 173.34 2g0b s ILE 9 N -3.86 4.52 -0.17 4.11 2.07 -1.26 0.23 121.20 126.83 2g0b s ILE 9 Ca 0.07 1.47 -0.20 0.00 -1.41 0.00 0.00 60.65 60.58 2g0b s ILE 9 Cb 0.03 -4.01 -0.03 0.00 0.13 0.00 0.00 42.46 38.58 2g0b s ILE 9 CO -0.09 0.48 0.56 -0.76 -1.91 0.00 0.00 174.94 173.23 2g0b s LEU 10 N -1.28 4.18 -0.06 8.50 1.43 0.36 -4.86 118.68 126.95 2g0b s LEU 10 Ca 0.35 0.79 -0.04 0.00 -1.03 0.00 0.00 54.13 54.20 2g0b s LEU 10 Cb -0.21 -2.80 -0.03 0.00 0.03 0.00 0.00 46.19 43.18 2g0b s LEU 10 CO 0.23 -0.18 -0.10 1.33 0.23 0.00 0.00 176.35 177.87 2g0b n VAL 11 N 4.39 0.53 -2.44 -1.59 0.24 -1.26 -4.69 118.33 113.51 2g0b n VAL 11 Ca -0.04 -0.05 -0.36 0.00 -2.04 0.00 0.00 64.34 61.85 2g0b n VAL 11 Cb 0.50 -1.63 -0.03 0.00 -1.47 0.00 0.00 33.84 31.22 2g0b n VAL 11 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2g0b s ALA 12 N -2.15 3.00 0.26 2.33 0.00 -1.26 -4.94 121.76 119.01 2g0b s ALA 12 Ca -0.10 0.77 -0.01 0.00 0.00 0.00 0.00 51.96 52.62 2g0b s ALA 12 Cb 0.04 -3.31 0.51 0.00 0.00 0.00 0.00 23.12 20.35 2g0b s ALA 12 CO 0.13 -0.40 1.79 -1.35 0.00 0.00 0.00 175.76 175.93 2g0b h PRO 13 N 2.17 0.72 0.00 0.00 0.11 -1.98 -2.01 132.00 131.00 2g0b h PRO 13 Ca -0.49 -0.04 -0.06 0.00 0.11 0.00 0.00 66.00 65.51 2g0b h PRO 13 Cb 1.23 -0.16 -0.01 0.00 0.11 0.00 0.00 31.00 32.17 2g0b h PRO 13 CO 0.61 0.48 -0.31 -2.95 -0.21 0.00 0.00 178.00 175.62 2g0b h ASN 14 N 0.74 0.00 -0.15 -2.05 -1.07 -1.98 0.12 115.58 111.19 2g0b h ASN 14 Ca 0.46 0.00 -0.13 0.00 0.07 0.00 0.00 56.30 56.69 2g0b h ASN 14 Cb 0.55 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 36.81 2g0b h ASN 14 CO -0.31 0.31 -0.42 -0.33 0.07 0.00 0.00 177.43 176.75 2g0b h GLU 15 N 0.00 0.55 0.00 4.14 5.08 -1.88 -2.65 114.58 119.82 2g0b h GLU 15 Ca -0.00 -0.39 -0.05 0.00 -1.00 0.00 0.00 59.36 57.91 2g0b h GLU 15 Cb 0.62 0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.92 2g0b h GLU 15 CO 0.04 1.01 -0.25 -0.09 -1.00 0.00 0.00 179.01 178.71 2g0b h ARG 16 N 0.18 0.00 -0.16 2.33 2.43 -0.94 -1.91 114.38 116.32 2g0b h ARG 16 Ca -0.01 0.00 -0.19 0.00 -0.81 0.00 0.00 59.98 58.97 2g0b h ARG 16 Cb 1.04 0.00 0.01 0.00 -0.42 0.00 0.00 29.97 30.59 2g0b h ARG 16 CO 0.09 0.25 -0.66 -0.44 -1.51 0.00 0.00 179.97 177.70 2g0b h ASP 17 N 0.00 0.85 0.05 -3.80 3.32 -0.75 -1.89 116.42 114.20 2g0b h ASP 17 Ca -0.00 -0.62 -0.09 0.00 0.02 0.00 0.00 57.03 56.34 2g0b h ASP 17 Cb 0.59 -0.25 -0.01 0.00 0.22 0.00 0.00 39.33 39.87 2g0b h ASP 17 CO 0.03 1.33 -0.26 0.00 -1.72 0.00 0.00 179.24 178.62 2g0b h ALA 18 N 0.55 1.22 -0.46 3.45 0.00 -1.26 -0.81 119.26 121.95 2g0b h ALA 18 Ca -0.04 -0.32 -0.04 0.00 0.00 0.00 0.00 54.91 54.50 2g0b h ALA 18 Cb 1.29 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.96 2g0b h ALA 18 CO 0.14 0.51 0.12 0.00 0.00 0.00 0.00 179.25 180.02 2g0b h ALA 19 N 1.43 0.61 -0.26 0.00 0.00 -1.29 -1.96 119.26 117.78 2g0b h ALA 19 Ca 0.05 -0.20 -0.07 0.00 0.00 0.00 0.00 54.91 54.69 2g0b h ALA 19 Cb 0.62 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.22 2g0b h ALA 19 CO 0.04 0.29 -0.15 0.00 0.00 0.00 0.00 179.25 179.43 2g0b h ARG 20 N 0.61 0.44 -0.35 0.00 3.08 -1.04 -2.26 114.38 114.87 2g0b h ARG 20 Ca 0.15 -0.13 -0.02 0.00 0.07 0.00 0.00 59.98 60.05 2g0b h ARG 20 Cb 0.31 -0.05 -0.02 0.00 0.08 0.00 0.00 29.97 30.30 2g0b h ARG 20 CO 0.00 0.59 0.15 0.00 -1.07 0.00 0.00 179.97 179.64 2g0b h ARG 21 N 0.41 0.52 -0.82 0.04 3.08 -0.90 0.68 114.38 117.40 2g0b h ARG 21 Ca 0.07 -0.09 0.01 0.00 0.07 0.00 0.00 59.98 60.05 2g0b h ARG 21 Cb 0.50 -0.09 -0.04 0.00 0.08 0.00 0.00 29.97 30.42 2g0b h ARG 21 CO 0.03 0.49 0.54 0.82 -1.07 0.00 0.00 179.97 180.78 2g0b h ILE 22 N 0.42 1.20 -0.41 2.04 2.04 -1.10 -0.31 117.51 121.39 2g0b h ILE 22 Ca 0.12 -0.37 -0.08 0.00 1.00 0.00 0.00 64.86 65.53 2g0b h ILE 22 Cb 0.16 0.01 -0.01 0.00 -0.74 0.00 0.00 36.82 36.23 2g0b h ILE 22 CO -0.01 0.20 -0.04 0.58 0.00 0.00 0.00 178.15 178.88 2g0b h VAL 23 N 1.09 1.27 0.00 1.67 2.07 -1.15 -1.66 116.25 119.54 2g0b h VAL 23 Ca 0.30 -1.09 -0.09 0.00 0.82 0.00 0.00 66.70 66.64 2g0b h VAL 23 Cb -0.11 1.15 -0.01 0.00 -1.52 0.00 0.00 31.29 30.79 2g0b h VAL 23 CO -0.07 0.37 -0.45 0.08 0.02 0.00 0.00 177.57 177.52 2g0b h ARG 24 N 0.58 0.00 -0.16 1.57 0.11 -0.61 -0.58 114.38 115.29 2g0b h ARG 24 Ca 0.11 0.00 -0.21 0.00 0.10 0.00 0.00 59.98 59.98 2g0b h ARG 24 Cb 0.54 0.00 0.01 0.00 1.11 0.00 0.00 29.97 31.63 2g0b h ARG 24 CO 0.03 0.45 -0.72 1.15 0.10 0.00 0.00 179.97 180.98 2g0b h THR 25 N 0.00 1.29 -0.48 0.08 2.02 -0.89 -1.46 112.91 113.48 2g0b h THR 25 Ca -0.00 -1.92 -0.06 0.00 0.77 0.00 0.00 66.41 65.19 2g0b h THR 25 Cb 0.93 1.98 -0.02 0.00 -1.74 0.00 0.00 68.15 69.30 2g0b h THR 25 CO 0.06 0.61 0.07 0.74 0.37 0.00 0.00 175.52 177.37 2g0b h THR 26 N 0.49 1.25 -0.55 3.16 2.02 -1.16 -2.67 112.91 115.45 2g0b h THR 26 Ca -0.04 -0.93 -0.11 0.00 0.77 0.00 0.00 66.41 66.09 2g0b h THR 26 Cb 1.35 0.93 -0.02 0.00 -1.74 0.00 0.00 68.15 68.67 2g0b h THR 26 CO 0.15 0.33 -0.08 1.88 0.37 0.00 0.00 175.52 178.17 2g0b h TYR 27 N 0.66 1.15 -0.47 3.16 -1.99 -1.05 -2.86 116.97 115.58 2g0b h TYR 27 Ca 0.14 -0.23 -0.07 0.00 2.00 0.00 0.00 58.73 60.58 2g0b h TYR 27 Cb 0.40 -0.29 -0.02 0.00 2.00 0.00 0.00 36.73 38.82 2g0b h TYR 27 CO 0.03 1.05 0.02 0.93 -0.00 0.00 0.00 178.16 180.19 2g0b h GLU 28 N 0.91 0.75 0.00 4.88 5.08 -1.27 0.20 114.58 125.13 2g0b h GLU 28 Ca 0.15 -0.19 -0.02 0.00 -1.00 0.00 0.00 59.36 58.30 2g0b h GLU 28 Cb 0.65 -0.10 -0.00 0.00 0.50 0.00 0.00 28.75 29.80 2g0b h GLU 28 CO 0.04 0.75 -0.09 0.00 -1.00 0.00 0.00 179.01 178.72 2g0b h ALA 29 N 1.31 1.02 -0.02 3.43 0.00 -1.27 -2.67 119.26 121.05 2g0b h ALA 29 Ca 0.14 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.97 2g0b h ALA 29 Cb 0.41 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.18 2g0b h ALA 29 CO 0.01 0.11 -0.09 1.04 0.00 0.00 0.00 179.25 180.32 2g0b n GLN 30 N -3.22 1.65 -1.69 0.00 6.02 -0.98 -4.98 117.38 114.18 2g0b n GLN 30 Ca 0.00 -1.47 -0.04 0.00 -0.01 0.00 0.00 57.00 55.49 2g0b n GLN 30 Cb 0.36 -1.36 -0.01 0.00 1.02 0.00 0.00 30.24 30.25 2g0b n GLN 30 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2g0b n GLY 31 N 1.12 0.40 3.79 1.08 0.00 -0.50 -5.03 105.19 106.05 2g0b n GLY 31 Ca 0.10 -0.78 -0.36 0.00 0.00 0.00 0.00 46.02 44.98 2g0b n GLY 31 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2g0b s TYR 32 N -2.18 3.64 0.52 1.61 4.12 0.58 -4.97 117.35 120.65 2g0b s TYR 32 Ca 0.00 1.69 -0.18 0.00 0.02 0.00 0.00 57.07 58.60 2g0b s TYR 32 Cb 0.00 -2.86 -0.07 0.00 -1.52 0.00 0.00 41.96 37.51 2g0b s TYR 32 CO 0.00 0.20 1.01 0.00 0.02 0.00 0.00 175.55 176.78 2g0b s ALA 33 N -1.67 2.93 -0.17 3.71 0.00 0.74 -4.33 121.76 122.96 2g0b s ALA 33 Ca 0.50 0.37 0.01 0.00 0.00 0.00 0.00 51.96 52.84 2g0b s ALA 33 Cb -0.17 -3.18 0.02 0.00 0.00 0.00 0.00 23.12 19.79 2g0b s ALA 33 CO 0.22 -0.35 -0.17 0.42 0.00 0.00 0.00 175.76 175.88 2g0b s ILE 34 N -2.36 1.85 0.20 0.00 1.01 -1.26 -4.53 121.20 116.11 2g0b s ILE 34 Ca 0.63 -0.87 0.02 0.00 0.00 0.00 0.00 60.65 60.42 2g0b s ILE 34 Cb -0.13 -1.73 0.02 0.00 0.01 0.00 0.00 42.46 40.63 2g0b s ILE 34 CO 0.27 0.45 0.13 -0.90 0.00 0.00 0.00 174.94 174.89 2g0b n ASP 35 N 4.67 1.80 -1.21 3.58 5.68 -1.26 -5.05 116.55 124.75 2g0b n ASP 35 Ca -0.19 -1.73 0.11 0.00 -0.50 0.00 0.00 54.79 52.48 2g0b n ASP 35 Cb 0.49 0.01 0.28 0.00 -1.14 0.00 0.00 41.12 40.76 2g0b n ASP 35 CO 0.00 0.00 0.00 -0.62 -1.33 0.00 0.00 177.20 175.25 2g0b n GLU 36 N -0.90 2.68 0.22 0.11 1.02 -1.26 -4.56 120.64 117.95 2g0b n GLU 36 Ca -0.02 -2.50 0.07 0.00 -0.02 0.00 0.00 57.16 54.69 2g0b n GLU 36 Cb 0.24 -1.51 0.53 0.00 -0.02 0.00 0.00 31.44 30.67 2g0b n GLU 36 CO 0.00 0.00 0.00 0.66 1.18 0.00 0.00 177.13 178.97 2g0b h SER 37 N 3.99 0.00 0.70 1.62 4.64 -1.97 -1.63 113.55 120.90 2g0b h SER 37 Ca 0.00 0.00 -0.14 0.00 -0.47 0.00 0.00 61.79 61.18 2g0b h SER 37 Cb 0.95 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 63.02 2g0b h SER 37 CO 0.00 0.22 -0.68 -0.26 -0.87 0.00 0.00 176.83 175.24 2g0b h PHE 38 N 0.00 0.00 -0.02 4.77 -1.00 -2.00 -3.27 116.94 115.43 2g0b h PHE 38 Ca -0.00 0.00 -0.10 0.00 2.81 0.00 0.00 57.97 60.68 2g0b h PHE 38 Cb 0.43 0.00 -0.01 0.00 3.61 0.00 0.00 35.95 39.98 2g0b h PHE 38 CO 0.00 0.68 -0.47 0.00 -1.61 0.00 0.00 178.31 176.90 2g0b h ALA 39 N 1.32 1.19 -0.16 2.45 0.00 -1.61 -2.73 119.26 119.72 2g0b h ALA 39 Ca -0.01 -0.44 -0.09 0.00 0.00 0.00 0.00 54.91 54.37 2g0b h ALA 39 Cb 1.21 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.91 2g0b h ALA 39 CO 0.09 0.60 -0.31 1.15 0.00 0.00 0.00 179.25 180.78 2g0b h THR 40 N 0.03 1.27 -0.03 0.00 2.02 -1.59 -1.94 112.91 112.66 2g0b h THR 40 Ca -0.00 -1.31 -0.12 0.00 0.77 0.00 0.00 66.41 65.75 2g0b h THR 40 Cb 0.85 1.49 0.01 0.00 -1.74 0.00 0.00 68.15 68.76 2g0b h THR 40 CO 0.06 0.40 -0.47 -0.26 0.37 0.00 0.00 175.52 175.63 2g0b h PHE 41 N 0.28 0.53 0.00 3.16 -1.00 -1.65 -3.18 116.94 115.09 2g0b h PHE 41 Ca 0.04 -0.27 -0.08 0.00 2.81 0.00 0.00 57.97 60.47 2g0b h PHE 41 Cb 0.69 -0.07 -0.01 0.00 3.61 0.00 0.00 35.95 40.17 2g0b h PHE 41 CO 0.02 1.06 -0.39 -0.07 -1.61 0.00 0.00 178.31 177.32 2g0b h LEU 42 N -0.15 0.00 0.00 1.54 3.38 -1.34 -1.25 115.31 117.49 2g0b h LEU 42 Ca -0.05 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.92 2g0b h LEU 42 Cb 1.16 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.91 2g0b h LEU 42 CO 0.09 0.39 -0.22 -0.62 0.09 0.00 0.00 178.44 178.17 2g0b n GLU 43 N -3.67 0.05 -1.69 1.13 1.02 -0.74 -4.79 120.64 111.95 2g0b n GLU 43 Ca -0.01 0.03 -0.29 0.00 -0.02 0.00 0.00 57.16 56.87 2g0b n GLU 43 Cb 0.48 -1.55 0.15 0.00 -0.02 0.00 0.00 31.44 30.51 2g0b n GLU 43 CO 0.00 0.00 0.00 0.20 1.18 0.00 0.00 177.13 178.51 2g0b s GLY 44 N -3.12 1.64 -0.01 0.62 0.00 -0.47 -4.96 107.32 101.02 2g0b s GLY 44 Ca 0.12 -0.82 0.02 0.00 0.00 0.00 0.00 44.72 44.04 2g0b s GLY 44 CO 0.61 -0.17 0.97 -1.05 0.00 0.00 0.00 173.10 173.46 2g0b n PRO 45 N -3.78 1.22 -0.31 2.90 -0.02 -1.26 -3.67 135.00 130.08 2g0b n PRO 45 Ca 0.10 -0.29 0.03 0.00 -2.02 0.00 0.00 63.50 61.32 2g0b n PRO 45 Cb 0.60 -1.17 0.04 0.00 -0.02 0.00 0.00 33.50 32.95 2g0b n PRO 45 CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35 2g0b n SER 46 N -0.21 0.70 -4.34 2.55 3.41 -1.26 -5.08 113.62 109.38 2g0b n SER 46 Ca 0.03 -2.17 -0.21 0.00 -0.26 0.00 0.00 58.87 56.25 2g0b n SER 46 Cb 0.12 -0.23 -0.11 0.00 -0.26 0.00 0.00 64.21 63.74 2g0b n SER 46 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2g0b s ALA 47 N -0.78 2.06 -0.05 7.33 0.00 -1.24 -0.93 121.76 128.13 2g0b s ALA 47 Ca 0.08 -1.54 -0.02 0.00 0.00 0.00 0.00 51.96 50.48 2g0b s ALA 47 Cb 0.07 -0.17 0.04 0.00 0.00 0.00 0.00 23.12 23.06 2g0b s ALA 47 CO 0.01 0.21 0.11 0.99 0.00 0.00 0.00 175.76 177.08 2g0b s THR 48 N -2.22 -0.10 -0.18 0.00 2.01 -0.46 -4.97 115.64 109.71 2g0b s THR 48 Ca 0.18 0.26 0.00 0.00 0.31 0.00 0.00 61.69 62.44 2g0b s THR 48 Cb -0.05 -0.20 0.01 0.00 0.01 0.00 0.00 72.50 72.27 2g0b s THR 48 CO 0.07 0.11 -0.17 -0.89 -0.69 0.00 0.00 174.62 173.05 2g0b s THR 49 N 1.51 2.38 0.25 -0.82 2.01 -1.26 -0.88 115.64 118.83 2g0b s THR 49 Ca -0.05 -0.84 -0.02 0.00 0.31 0.00 0.00 61.69 61.10 2g0b s THR 49 Cb -0.12 -2.02 -0.04 0.00 0.01 0.00 0.00 72.50 70.33 2g0b s THR 49 CO -0.05 0.52 0.47 -0.36 -0.69 0.00 0.00 174.62 174.51 2g0b s PHE 50 N 1.23 3.48 0.01 4.92 0.08 0.96 -0.49 117.98 128.18 2g0b s PHE 50 Ca 0.03 0.44 -0.07 0.00 0.12 0.00 0.00 56.93 57.45 2g0b s PHE 50 Cb -0.14 -1.94 -0.00 0.00 -0.57 0.00 0.00 43.02 40.37 2g0b s PHE 50 CO -0.09 0.27 0.13 0.20 -0.10 0.00 0.00 175.22 175.63 2g0b s GLY 51 N -3.31 0.08 -0.17 4.36 0.00 0.14 -2.00 107.32 106.41 2g0b s GLY 51 Ca 0.40 -0.26 -0.03 0.00 0.00 0.00 0.00 44.72 44.84 2g0b s GLY 51 CO 0.30 -0.40 -0.06 1.08 0.00 0.00 0.00 173.10 174.03 2g0b s LEU 52 N -1.62 3.00 -0.07 0.66 1.43 0.87 -0.71 118.68 122.24 2g0b s LEU 52 Ca -0.12 -0.27 0.03 0.00 -1.03 0.00 0.00 54.13 52.75 2g0b s LEU 52 Cb -0.06 -1.73 -0.02 0.00 0.03 0.00 0.00 46.19 44.42 2g0b s LEU 52 CO -0.00 0.10 -0.17 -0.36 0.23 0.00 0.00 176.35 176.15 2g0b s PHE 53 N 0.76 2.66 -2.16 0.29 0.40 0.24 -1.12 117.98 119.05 2g0b s PHE 53 Ca -0.02 -0.42 0.23 0.00 -0.60 0.00 0.00 56.93 56.12 2g0b s PHE 53 Cb -0.15 -1.68 0.58 0.00 0.51 0.00 0.00 43.02 42.29 2g0b s PHE 53 CO 0.02 -0.01 1.50 -1.71 0.70 0.00 0.00 175.22 175.71 2g0b n ASN 54 N 2.78 3.76 0.00 1.36 2.85 -0.03 -1.17 115.26 124.80 2g0b n ASN 54 Ca -0.17 -2.00 0.00 0.00 -0.11 0.00 0.00 54.58 52.30 2g0b n ASN 54 Cb 0.52 -0.41 0.00 0.00 1.24 0.00 0.00 39.78 41.13 2g0b n ASN 54 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 2g0b n GLY 55 N 1.61 -1.75 0.08 8.20 0.00 -1.17 -3.75 105.19 108.41 2g0b n GLY 55 Ca 0.23 0.66 0.01 0.00 0.00 0.00 0.00 46.02 46.92 2g0b n GLY 55 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2g0b n GLU 56 N 0.00 -0.40 -3.33 1.61 1.02 -1.26 -4.88 120.64 113.41 2g0b n GLU 56 Ca 0.00 -0.70 -0.41 0.00 -0.02 0.00 0.00 57.16 56.03 2g0b n GLU 56 Cb 0.00 -1.04 -0.09 0.00 -0.02 0.00 0.00 31.44 30.30 2g0b n GLU 56 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 2g0b s VAL 57 N -0.23 5.10 0.01 2.62 1.01 -1.26 -5.05 120.40 122.59 2g0b s VAL 57 Ca 0.02 0.26 -0.30 0.00 0.00 0.00 0.00 61.98 61.96 2g0b s VAL 57 Cb 0.02 -3.87 -0.03 0.00 0.00 0.00 0.00 36.38 32.50 2g0b s VAL 57 CO 0.02 -0.11 0.99 -0.22 0.00 0.00 0.00 175.10 175.79 2g0b s LEU 58 N 2.19 4.37 0.00 3.92 2.96 -1.26 -0.85 118.68 130.01 2g0b s LEU 58 Ca 0.15 1.68 0.00 0.00 -0.22 0.00 0.00 54.13 55.75 2g0b s LEU 58 Cb -0.16 -3.57 0.00 0.00 0.50 0.00 0.00 46.19 42.96 2g0b s LEU 58 CO 0.12 -0.27 0.00 0.00 -1.32 0.00 0.00 176.35 174.88 2g0b n TYR 59 N 3.88 0.00 -3.95 5.38 0.18 -0.28 -4.97 117.16 117.40 2g0b n TYR 59 Ca 0.06 0.00 -0.10 0.00 1.88 0.00 0.00 57.90 59.75 2g0b n TYR 59 Cb 0.51 0.00 -0.10 0.00 -0.38 0.00 0.00 39.34 39.36 2g0b n TYR 59 CO 0.00 0.00 0.00 0.20 -2.08 0.00 0.00 176.86 174.98 2g0b s GLY 60 N -1.66 0.19 0.07 -7.48 0.00 -1.19 0.21 107.32 97.45 2g0b s GLY 60 Ca 0.00 -0.48 -0.19 0.00 0.00 0.00 0.00 44.72 44.04 2g0b s GLY 60 CO 0.00 -0.58 0.46 -1.08 0.00 0.00 0.00 173.10 171.89 2g0b s THR 61 N -1.67 0.05 -0.10 0.90 -1.32 0.06 -0.09 115.64 113.46 2g0b s THR 61 Ca -0.13 -0.39 -0.19 0.00 -1.21 0.00 0.00 61.69 59.77 2g0b s THR 61 Cb -0.08 -1.00 0.04 0.00 -1.51 0.00 0.00 72.50 69.95 2g0b s THR 61 CO -0.01 -0.21 0.47 -0.51 -2.21 0.00 0.00 174.62 172.15 2g0b s ILE 62 N -2.78 0.02 0.06 5.08 2.07 -0.85 -1.63 121.20 123.17 2g0b s ILE 62 Ca -0.03 -0.15 0.06 0.00 -1.41 0.00 0.00 60.65 59.12 2g0b s ILE 62 Cb -0.00 -0.73 -0.03 0.00 0.13 0.00 0.00 42.46 41.84 2g0b s ILE 62 CO -0.04 -0.08 -0.16 -0.44 -1.91 0.00 0.00 174.94 172.30 2g0b s SER 63 N -0.52 1.93 -0.02 4.50 0.01 -0.61 -0.03 113.70 118.97 2g0b s SER 63 Ca -0.06 -0.54 0.04 0.00 1.31 0.00 0.00 55.95 56.69 2g0b s SER 63 Cb -0.03 -0.11 -0.01 0.00 0.21 0.00 0.00 66.02 66.08 2g0b s SER 63 CO 0.04 0.03 -0.14 0.27 0.41 0.00 0.00 173.24 173.85 2g0b s ILE 64 N -1.00 1.09 -0.15 1.44 -4.36 -0.06 -0.24 121.20 117.92 2g0b s ILE 64 Ca 0.02 -0.57 0.02 0.00 -0.26 0.00 0.00 60.65 59.86 2g0b s ILE 64 Cb -0.09 -0.93 0.01 0.00 1.25 0.00 0.00 42.46 42.71 2g0b s ILE 64 CO 0.02 0.31 -0.20 -0.63 0.24 0.00 0.00 174.94 174.68 2g0b s ILE 65 N -0.17 2.19 0.36 8.37 1.01 -0.12 -1.35 121.20 131.49 2g0b s ILE 65 Ca 0.02 -0.93 -0.25 0.00 0.00 0.00 0.00 60.65 59.50 2g0b s ILE 65 Cb -0.07 -1.89 -0.10 0.00 0.01 0.00 0.00 42.46 40.41 2g0b s ILE 65 CO 0.00 0.54 0.98 0.20 0.00 0.00 0.00 174.94 176.66 2g0b s ASN 66 N 0.91 7.12 0.07 3.58 0.01 -0.11 -1.38 114.94 125.15 2g0b s ASN 66 Ca -0.04 1.88 -0.33 0.00 -0.71 0.00 0.00 52.86 53.65 2g0b s ASN 66 Cb -0.15 -2.58 -0.12 0.00 0.41 0.00 0.00 41.25 38.81 2g0b s ASN 66 CO -0.04 -0.23 1.74 -0.67 -1.51 0.00 0.00 177.10 176.40 2g0b n ASP 67 N 0.22 3.44 -0.76 -1.22 -0.08 -0.46 -4.86 116.55 112.83 2g0b n ASP 67 Ca 0.03 1.02 0.00 0.00 -1.51 0.00 0.00 54.79 54.34 2g0b n ASP 67 Cb 0.50 -1.44 0.00 0.00 2.34 0.00 0.00 41.12 42.53 2g0b n ASP 67 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 2g0b n GLY 68 N 3.93 4.33 0.29 0.27 0.00 -1.26 -4.95 105.19 107.81 2g0b n GLY 68 Ca 0.19 -1.61 0.16 0.00 0.00 0.00 0.00 46.02 44.76 2g0b n GLY 68 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2g0b h ALA 69 N 1.00 1.22 -0.01 4.61 0.00 -2.04 -2.42 119.26 121.62 2g0b h ALA 69 Ca 0.00 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.86 2g0b h ALA 69 Cb 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.78 2g0b h ALA 69 CO 0.00 0.07 -0.32 1.04 0.00 0.00 0.00 179.25 180.05 2g0b n GLN 70 N -3.48 0.82 0.00 0.00 6.02 -1.26 -5.06 117.38 114.42 2g0b n GLN 70 Ca -0.02 -0.52 0.00 0.00 -0.01 0.00 0.00 57.00 56.45 2g0b n GLN 70 Cb 0.18 -1.49 0.00 0.00 1.02 0.00 0.00 30.24 29.96 2g0b n GLN 70 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2g0b n GLY 71 N 1.36 -0.65 3.21 1.08 0.00 -0.92 -4.91 105.19 104.37 2g0b n GLY 71 Ca 0.11 -1.14 -0.22 0.00 0.00 0.00 0.00 46.02 44.78 2g0b n GLY 71 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2g0b s LEU 72 N 0.00 2.24 0.31 0.99 1.43 -1.26 -4.12 118.68 118.27 2g0b s LEU 72 Ca 0.00 -0.58 0.04 0.00 -1.03 0.00 0.00 54.13 52.56 2g0b s LEU 72 Cb 0.00 -0.72 0.83 0.00 0.03 0.00 0.00 46.19 46.33 2g0b s LEU 72 CO 0.00 0.03 1.58 -0.65 0.23 0.00 0.00 176.35 177.54 2g0b h PRO 73 N 4.49 0.03 -1.22 1.29 0.11 -1.96 -1.12 132.00 133.61 2g0b h PRO 73 Ca -0.42 -0.00 0.35 0.00 0.11 0.00 0.00 66.00 66.04 2g0b h PRO 73 Cb 1.18 -0.01 -0.08 0.00 0.11 0.00 0.00 31.00 32.20 2g0b h PRO 73 CO 0.42 0.02 0.82 0.52 -0.21 0.00 0.00 178.00 179.57 2g0b h MET 74 N 0.03 0.16 -0.90 1.05 2.86 -1.97 -3.09 114.93 113.07 2g0b h MET 74 Ca 0.63 -0.01 0.21 0.00 -2.06 0.00 0.00 59.70 58.46 2g0b h MET 74 Cb 1.36 -0.04 -0.06 0.00 0.06 0.00 0.00 31.60 32.92 2g0b h MET 74 CO -0.87 0.11 0.60 -0.44 1.06 0.00 0.00 176.91 177.36 2g0b h ASP 75 N 0.17 0.38 -0.42 1.22 3.32 -1.50 0.65 116.42 120.24 2g0b h ASP 75 Ca 0.66 0.04 0.12 0.00 0.02 0.00 0.00 57.03 57.87 2g0b h ASP 75 Cb 2.16 -0.03 -0.02 0.00 0.22 0.00 0.00 39.33 41.66 2g0b h ASP 75 CO -0.20 0.15 0.32 0.77 -1.72 0.00 0.00 179.24 178.55 2g0b h SER 76 N 0.38 0.00 0.00 6.45 4.64 -1.76 -2.90 113.55 120.36 2g0b h SER 76 Ca 0.47 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.79 2g0b h SER 76 Cb 1.20 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.29 2g0b h SER 76 CO -0.17 0.00 -0.94 -0.38 -0.87 0.00 0.00 176.83 174.47 2g0b n ILE 77 N -4.30 0.00 -1.61 0.95 2.08 0.10 -4.87 119.36 111.72 2g0b n ILE 77 Ca 0.07 0.00 0.06 0.00 0.56 0.00 0.00 62.75 63.44 2g0b n ILE 77 Cb 0.51 -0.73 0.20 0.00 -0.75 0.00 0.00 39.64 38.87 2g0b n ILE 77 CO 0.00 0.00 0.00 -1.22 0.56 0.00 0.00 176.55 175.89 2g0b n TYR 78 N -2.16 0.00 -0.15 1.39 4.02 0.20 -4.82 117.16 115.65 2g0b n TYR 78 Ca 0.00 -1.44 -0.03 0.00 -0.01 0.00 0.00 57.90 56.41 2g0b n TYR 78 Cb 0.47 -0.24 0.05 0.00 -0.02 0.00 0.00 39.34 39.60 2g0b n TYR 78 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 2g0b h ALA 79 N 0.96 0.52 0.00 -0.72 0.00 -1.65 -2.60 119.26 115.77 2g0b h ALA 79 Ca -0.01 0.09 -0.09 0.00 0.00 0.00 0.00 54.91 54.90 2g0b h ALA 79 Cb 1.03 0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.92 2g0b h ALA 79 CO 0.00 -0.30 -0.42 -0.39 0.00 0.00 0.00 179.25 178.14 2g0b h VAL 80 N 0.24 1.07 0.00 0.00 -1.51 -1.88 -2.23 116.25 111.95 2g0b h VAL 80 Ca 0.23 -1.58 0.00 0.00 -1.23 0.00 0.00 66.70 64.12 2g0b h VAL 80 Cb 0.29 1.91 0.00 0.00 -2.13 0.00 0.00 31.29 31.36 2g0b h VAL 80 CO -0.29 0.41 0.00 -0.62 -1.23 0.00 0.00 177.57 175.84 2g0b n GLU 81 N -3.70 0.20 -0.00 5.19 4.71 -0.99 -2.78 120.64 123.27 2g0b n GLU 81 Ca -0.01 0.27 0.08 0.00 -0.01 0.00 0.00 57.16 57.49 2g0b n GLU 81 Cb 0.50 -1.79 -0.11 0.00 -1.01 0.00 0.00 31.44 29.04 2g0b n GLU 81 CO 0.00 0.00 0.00 1.28 0.09 0.00 0.00 177.13 178.50 2g0b n LEU 82 N -2.15 0.42 0.18 -4.62 4.77 -1.06 -4.65 117.00 109.90 2g0b n LEU 82 Ca 0.04 -0.28 0.06 0.00 -0.03 0.00 0.00 56.01 55.80 2g0b n LEU 82 Cb 0.34 0.00 0.53 0.00 -2.33 0.00 0.00 43.42 41.96 2g0b n LEU 82 CO 0.25 0.11 1.03 0.00 -1.33 0.00 0.00 177.39 177.45 2g0b h ALA 83 N 1.92 1.80 -0.54 -1.18 0.00 -1.23 -2.30 119.26 117.74 2g0b h ALA 83 Ca 0.00 -0.07 -0.12 0.00 0.00 0.00 0.00 54.91 54.72 2g0b h ALA 83 Cb 0.54 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.26 2g0b h ALA 83 CO 0.00 0.16 -0.13 0.00 0.00 0.00 0.00 179.25 179.28 2g0b h ALA 84 N 1.86 0.74 -0.19 0.00 0.00 -1.83 -2.46 119.26 117.39 2g0b h ALA 84 Ca 0.04 -0.36 -0.18 0.00 0.00 0.00 0.00 54.91 54.40 2g0b h ALA 84 Cb 0.11 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 17.71 2g0b h ALA 84 CO 0.00 0.68 -0.62 -1.49 0.00 0.00 0.00 179.25 177.82 2g0b h TRP 85 N 0.92 0.85 0.00 0.00 6.55 -1.74 -2.89 115.95 119.64 2g0b h TRP 85 Ca 0.14 -0.33 -0.02 0.00 0.95 0.00 0.00 58.89 59.63 2g0b h TRP 85 Cb 0.71 -0.15 -0.00 0.00 -0.86 0.00 0.00 29.16 28.85 2g0b h TRP 85 CO 0.05 1.11 -0.11 0.00 -1.05 0.00 0.00 178.44 178.44 2g0b h ARG 86 N 0.49 0.00 0.00 0.49 3.08 -1.44 -1.03 114.38 115.97 2g0b h ARG 86 Ca -0.01 0.00 -0.12 0.00 0.07 0.00 0.00 59.98 59.93 2g0b h ARG 86 Cb 1.21 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 31.24 2g0b h ARG 86 CO 0.12 0.11 -0.55 0.78 -1.07 0.00 0.00 179.97 179.36 2g0b h GLY 87 N 1.87 0.00 1.61 0.04 0.00 -1.31 -3.23 103.07 102.05 2g0b h GLY 87 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 2g0b h GLY 87 CO 0.01 0.00 -0.30 0.83 0.00 0.00 0.00 176.54 177.09 2g0b h GLU 88 N 0.00 0.00 0.00 4.80 5.08 -1.01 -3.48 114.58 119.98 2g0b h GLU 88 Ca -0.01 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.35 2g0b h GLU 88 Cb 1.18 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.43 2g0b h GLU 88 CO 0.07 0.00 0.00 0.41 -1.00 0.00 0.00 179.01 178.49 2g0b n GLY 89 N 1.32 0.71 3.73 -3.84 0.00 -0.82 -5.04 105.19 101.24 2g0b n GLY 89 Ca 0.04 -0.71 -0.41 0.00 0.00 0.00 0.00 46.02 44.95 2g0b n GLY 89 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2g0b s LYS 90 N -3.03 4.62 -0.39 1.61 -0.14 -0.77 -5.01 119.74 116.64 2g0b s LYS 90 Ca 0.00 1.34 -0.29 0.00 -1.36 0.00 0.00 55.97 55.66 2g0b s LYS 90 Cb 0.00 -3.39 0.02 0.00 -1.68 0.00 0.00 37.83 32.77 2g0b s LYS 90 CO 0.00 0.17 1.24 0.21 -0.76 0.00 0.00 175.35 176.20 2g0b s LYS 91 N 0.23 3.80 0.11 1.68 2.20 -1.26 -4.70 119.74 121.80 2g0b s LYS 91 Ca 0.46 0.92 0.05 0.00 -0.36 0.00 0.00 55.97 57.04 2g0b s LYS 91 Cb -0.22 -3.90 -0.04 0.00 -1.51 0.00 0.00 37.83 32.16 2g0b s LYS 91 CO 0.28 -1.28 0.05 -0.51 -0.36 0.00 0.00 175.35 173.53 2g0b s LEU 92 N 4.53 3.62 -0.08 5.43 1.43 -1.26 -0.56 118.68 131.79 2g0b s LEU 92 Ca 0.53 -0.14 -0.10 0.00 -1.03 0.00 0.00 54.13 53.39 2g0b s LEU 92 Cb -0.12 -2.30 0.02 0.00 0.03 0.00 0.00 46.19 43.82 2g0b s LEU 92 CO 0.27 0.14 0.26 0.00 0.23 0.00 0.00 176.35 177.25 2g0b s ALA 93 N -1.48 -0.65 -0.14 4.21 0.00 -0.86 -1.35 121.76 121.50 2g0b s ALA 93 Ca 0.28 0.61 -0.04 0.00 0.00 0.00 0.00 51.96 52.81 2g0b s ALA 93 Cb -0.11 -0.31 -0.03 0.00 0.00 0.00 0.00 23.12 22.66 2g0b s ALA 93 CO 0.21 -0.15 -0.00 -2.00 0.00 0.00 0.00 175.76 173.81 2g0b s GLU 94 N -0.22 3.52 -0.14 0.00 2.12 -0.48 0.49 118.70 123.99 2g0b s GLU 94 Ca -0.03 -0.45 -0.19 0.00 0.36 0.00 0.00 54.97 54.66 2g0b s GLU 94 Cb -0.03 -2.94 -0.04 0.00 0.26 0.00 0.00 34.13 31.39 2g0b s GLU 94 CO 0.01 0.40 0.53 0.08 -0.54 0.00 0.00 175.26 175.73 2g0b s VAL 95 N -0.04 5.14 0.31 3.70 1.01 -0.58 -0.94 120.40 129.00 2g0b s VAL 95 Ca 0.03 1.03 0.05 0.00 0.00 0.00 0.00 61.98 63.08 2g0b s VAL 95 Cb -0.13 -3.86 -0.03 0.00 0.00 0.00 0.00 36.38 32.36 2g0b s VAL 95 CO 0.02 0.26 0.21 0.68 0.00 0.00 0.00 175.10 176.27 2g0b s VAL 96 N 1.03 0.14 -1.39 2.92 -7.23 0.66 -4.63 120.40 111.90 2g0b s VAL 96 Ca 0.27 -2.00 -0.06 0.00 -1.81 0.00 0.00 61.98 58.38 2g0b s VAL 96 Cb -0.16 -2.49 0.03 0.00 0.56 0.00 0.00 36.38 34.33 2g0b s VAL 96 CO 0.11 0.00 0.84 1.67 -0.31 0.00 0.00 175.10 177.41 2g0b n GLN 97 N -0.58 -5.33 -3.44 4.82 -0.06 -1.26 -1.57 117.38 109.96 2g0b n GLN 97 Ca 0.04 0.63 -0.41 0.00 -2.00 0.00 0.00 57.00 55.26 2g0b n GLN 97 Cb 0.64 -5.34 -0.10 0.00 -4.06 0.00 0.00 30.24 21.38 2g0b n GLN 97 CO 0.00 0.00 0.00 0.12 -0.20 0.00 0.00 177.06 176.98 2g0b s PHE 98 N -3.51 3.22 0.04 3.69 5.36 -1.26 -4.00 117.98 121.52 2g0b s PHE 98 Ca 0.28 -0.06 -0.19 0.00 -0.96 0.00 0.00 56.93 56.00 2g0b s PHE 98 Cb -0.14 -2.61 0.04 0.00 -0.34 0.00 0.00 43.02 39.97 2g0b s PHE 98 CO 0.81 -0.40 0.43 0.00 -1.46 0.00 0.00 175.22 174.60 2g0b s ALA 99 N 1.94 -1.07 -0.02 11.12 0.00 -0.64 -5.01 121.76 128.08 2g0b s ALA 99 Ca 0.10 0.39 0.00 0.00 0.00 0.00 0.00 51.96 52.45 2g0b s ALA 99 Cb -0.17 0.32 0.02 0.00 0.00 0.00 0.00 23.12 23.30 2g0b s ALA 99 CO 0.11 -0.45 0.02 -1.64 0.00 0.00 0.00 175.76 173.80 2g0b s MET 100 N -2.35 0.05 -0.55 0.00 -1.94 -1.26 -0.76 119.30 112.49 2g0b s MET 100 Ca -0.06 0.12 -0.22 0.00 -1.71 0.00 0.00 55.69 53.82 2g0b s MET 100 Cb -0.01 -0.26 0.05 0.00 2.01 0.00 0.00 34.83 36.62 2g0b s MET 100 CO -0.01 -0.13 0.84 0.34 -0.01 0.00 0.00 175.02 176.05 2g0b s ASP 101 N 0.86 6.28 0.13 3.03 -1.08 0.13 -4.94 116.67 121.08 2g0b s ASP 101 Ca -0.07 -0.64 -0.12 0.00 -0.52 0.00 0.00 52.55 51.20 2g0b s ASP 101 Cb -0.11 -2.38 -0.08 0.00 -1.46 0.00 0.00 42.92 38.89 2g0b s ASP 101 CO -0.02 -1.14 1.42 0.45 0.52 0.00 0.00 175.17 176.39 2g0b h HIS 102 N 9.24 1.11 0.00 -5.34 3.86 -2.00 -2.31 115.15 119.71 2g0b h HIS 102 Ca -0.27 -0.38 -0.12 0.00 -1.16 0.00 0.00 60.37 58.44 2g0b h HIS 102 Cb 1.08 -0.21 -0.02 0.00 1.06 0.00 0.00 27.41 29.32 2g0b h HIS 102 CO 0.87 1.21 -0.56 1.79 0.86 0.00 0.00 177.93 182.10 2g0b h THR 103 N 0.69 1.15 -0.09 2.45 1.35 -1.99 -1.82 112.91 114.65 2g0b h THR 103 Ca 0.03 -2.12 -0.11 0.00 -0.55 0.00 0.00 66.41 63.66 2g0b h THR 103 Cb 1.11 2.23 0.00 0.00 -1.73 0.00 0.00 68.15 69.77 2g0b h THR 103 CO 0.12 0.55 -0.36 0.25 -0.25 0.00 0.00 175.52 175.83 2g0b h LEU 104 N 0.00 0.47 -1.07 3.87 5.85 -1.96 -2.61 115.31 119.86 2g0b h LEU 104 Ca -0.01 -0.63 0.04 0.00 0.84 0.00 0.00 57.88 58.13 2g0b h LEU 104 Cb 1.18 -0.14 -0.06 0.00 0.37 0.00 0.00 40.66 42.02 2g0b h LEU 104 CO 0.07 1.02 0.63 0.22 -0.34 0.00 0.00 178.44 180.04 2g0b h TYR 105 N -0.04 1.16 -0.83 1.25 3.20 -1.41 -2.20 116.97 118.11 2g0b h TYR 105 Ca -0.02 0.03 0.04 0.00 3.14 0.00 0.00 58.73 61.92 2g0b h TYR 105 Cb 0.99 -0.39 -0.05 0.00 1.54 0.00 0.00 36.73 38.83 2g0b h TYR 105 CO 0.12 0.67 0.54 1.49 -1.64 0.00 0.00 178.16 179.34 2g0b h GLU 106 N 1.20 0.96 -0.13 1.82 4.57 -1.27 -2.49 114.58 119.24 2g0b h GLU 106 Ca 0.38 -0.06 -0.17 0.00 -1.18 0.00 0.00 59.36 58.33 2g0b h GLU 106 Cb 0.02 -0.22 0.01 0.00 -0.16 0.00 0.00 28.75 28.40 2g0b h GLU 106 CO -0.12 0.64 -0.58 0.00 -1.18 0.00 0.00 179.01 177.77 2g0b h ALA 107 N 1.53 0.24 0.03 2.92 0.00 -1.01 -3.20 119.26 119.77 2g0b h ALA 107 Ca 0.34 -0.53 -0.23 0.00 0.00 0.00 0.00 54.91 54.48 2g0b h ALA 107 Cb 0.09 -0.01 0.02 0.00 0.00 0.00 0.00 17.79 17.89 2g0b h ALA 107 CO -0.11 0.48 -0.94 0.28 0.00 0.00 0.00 179.25 178.97 2g0b h VAL 108 N 0.27 1.34 -3.70 0.00 2.07 -1.49 -3.40 116.25 111.33 2g0b h VAL 108 Ca -0.04 -2.25 -0.65 0.00 0.82 0.00 0.00 66.70 64.58 2g0b h VAL 108 Cb 1.22 2.55 -0.39 0.00 -1.52 0.00 0.00 31.29 33.16 2g0b h VAL 108 CO 0.12 0.68 -0.76 0.00 0.02 0.00 0.00 177.57 177.63 2g0b s ALA 109 N -3.17 2.53 0.00 1.67 0.00 -0.94 -4.78 121.76 117.07 2g0b s ALA 109 Ca -0.11 -2.01 0.00 0.00 0.00 0.00 0.00 51.96 49.84 2g0b s ALA 109 Cb 0.05 -1.72 0.00 0.00 0.00 0.00 0.00 23.12 21.45 2g0b s ALA 109 CO 0.89 -1.44 0.45 0.41 0.00 0.00 0.00 175.76 176.07 2g0b n GLY 110 N 4.43 0.84 3.45 0.00 0.00 -1.21 -4.40 105.19 108.29 2g0b n GLY 110 Ca -0.05 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.80 2g0b n GLY 110 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2g0b s ALA 111 N 2.58 -1.51 0.58 4.61 0.00 -1.24 -5.06 121.76 121.70 2g0b s ALA 111 Ca 0.00 1.03 -0.19 0.00 0.00 0.00 0.00 51.96 52.80 2g0b s ALA 111 Cb 0.00 0.07 -0.04 0.00 0.00 0.00 0.00 23.12 23.14 2g0b s ALA 111 CO 0.00 -0.37 1.17 0.15 0.00 0.00 0.00 175.76 176.71 2g0b s LYS 112 N -1.38 3.11 0.52 0.00 1.02 -1.26 -4.08 119.74 117.67 2g0b s LYS 112 Ca -0.11 1.70 -0.21 0.00 0.02 0.00 0.00 55.97 57.37 2g0b s LYS 112 Cb -0.01 -1.96 -0.08 0.00 -0.52 0.00 0.00 37.83 35.26 2g0b s LYS 112 CO 0.07 -1.07 0.88 -2.30 -0.92 0.00 0.00 175.35 172.01 2g0b n PRO 113 N -1.55 0.98 -3.95 -1.68 -0.02 -1.26 -5.03 135.00 122.50 2g0b n PRO 113 Ca 0.12 0.37 -0.22 0.00 -2.02 0.00 0.00 63.50 61.75 2g0b n PRO 113 Cb 0.50 -2.00 -0.04 0.00 -0.02 0.00 0.00 33.50 31.94 2g0b n PRO 113 CO 0.00 0.00 0.00 -1.54 1.98 0.00 0.00 175.50 175.94 2g0b s SER 114 N -1.02 5.22 0.54 2.55 1.04 -1.26 -5.01 113.70 115.76 2g0b s SER 114 Ca 0.69 -0.48 0.34 0.00 0.48 0.00 0.00 55.95 56.97 2g0b s SER 114 Cb -0.48 -1.03 1.51 0.00 0.10 0.00 0.00 66.02 66.11 2g0b s SER 114 CO 0.53 -0.25 1.85 -0.65 0.98 0.00 0.00 173.24 175.69 2g0b h PRO 115 N 1.38 0.01 -0.16 4.02 0.11 -2.02 -2.08 132.00 133.26 2g0b h PRO 115 Ca -0.45 -0.00 0.05 0.00 0.11 0.00 0.00 66.00 65.70 2g0b h PRO 115 Cb 1.25 -0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.35 2g0b h PRO 115 CO 0.60 0.01 0.18 0.74 -0.21 0.00 0.00 178.00 179.31 2g0b h PHE 116 N 0.01 0.00 0.12 0.65 0.04 -1.98 -1.93 116.94 113.85 2g0b h PHE 116 Ca 0.49 0.00 -0.01 0.00 2.80 0.00 0.00 57.97 61.26 2g0b h PHE 116 Cb 1.96 0.00 0.00 0.00 2.20 0.00 0.00 35.95 40.11 2g0b h PHE 116 CO -0.00 0.00 -0.06 0.93 -0.60 0.00 0.00 178.31 178.58 2g0b h GLU 117 N 0.00 -0.16 -0.72 1.51 4.39 -1.78 -1.86 114.58 115.97 2g0b h GLU 117 Ca 0.07 0.01 -0.04 0.00 0.34 0.00 0.00 59.36 59.74 2g0b h GLU 117 Cb 0.43 0.04 -0.03 0.00 -0.10 0.00 0.00 28.75 29.08 2g0b h GLU 117 CO -0.00 0.06 0.29 0.00 -1.16 0.00 0.00 179.01 178.20 2g0b h ALA 118 N 0.50 1.15 -0.44 3.43 0.00 -1.60 -3.15 119.26 119.15 2g0b h ALA 118 Ca -0.02 -0.18 0.06 0.00 0.00 0.00 0.00 54.91 54.77 2g0b h ALA 118 Cb 0.29 -0.29 -0.05 0.00 0.00 0.00 0.00 17.79 17.74 2g0b h ALA 118 CO 0.03 0.61 0.16 0.00 0.00 0.00 0.00 179.25 180.05 2g0b h ALA 119 N 1.27 0.53 -0.19 0.00 0.00 -1.16 0.17 119.26 119.87 2g0b h ALA 119 Ca 0.24 0.05 -0.10 0.00 0.00 0.00 0.00 54.91 55.11 2g0b h ALA 119 Cb 0.20 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.00 2g0b h ALA 119 CO -0.02 -0.23 -0.31 0.66 0.00 0.00 0.00 179.25 179.35 2g0b h SER 120 N 0.33 0.39 -0.36 0.00 4.64 -1.34 0.16 113.55 117.37 2g0b h SER 120 Ca 0.21 -0.14 -0.09 0.00 -0.47 0.00 0.00 61.79 61.29 2g0b h SER 120 Cb 0.20 -0.11 -0.02 0.00 -0.31 0.00 0.00 62.40 62.16 2g0b h SER 120 CO -0.21 0.68 -0.11 -0.07 -0.87 0.00 0.00 176.83 176.26 2g0b h LEU 121 N 0.33 0.79 -0.34 5.97 3.38 -1.37 -2.29 115.31 121.79 2g0b h LEU 121 Ca 0.04 -0.24 -0.20 0.00 0.09 0.00 0.00 57.88 57.58 2g0b h LEU 121 Cb 0.71 -0.21 -0.00 0.00 0.09 0.00 0.00 40.66 41.25 2g0b h LEU 121 CO 0.05 0.92 -0.79 -0.26 0.09 0.00 0.00 178.44 178.45 2g0b h PHE 122 N 0.72 0.55 -0.19 1.13 0.05 -0.02 -2.79 116.94 116.39 2g0b h PHE 122 Ca 0.12 -0.26 -0.02 0.00 3.82 0.00 0.00 57.97 61.64 2g0b h PHE 122 Cb 0.60 -0.08 -0.01 0.00 2.00 0.00 0.00 35.95 38.46 2g0b h PHE 122 CO 0.03 1.04 0.06 1.15 -0.18 0.00 0.00 178.31 180.41 2g0b h THR 123 N 0.26 1.19 -0.95 -1.55 2.02 -0.68 -0.42 112.91 112.78 2g0b h THR 123 Ca -0.04 -0.58 0.10 0.00 0.77 0.00 0.00 66.41 66.65 2g0b h THR 123 Cb 1.38 1.22 -0.08 0.00 -1.74 0.00 0.00 68.15 68.94 2g0b h THR 123 CO 0.14 0.18 0.59 0.24 0.37 0.00 0.00 175.52 177.04 2g0b h MET 124 N 0.13 0.95 0.29 6.66 2.86 -1.37 0.11 114.93 124.57 2g0b h MET 124 Ca 0.06 -0.06 -0.01 0.00 -2.06 0.00 0.00 59.70 57.63 2g0b h MET 124 Cb 0.23 -0.22 0.00 0.00 0.06 0.00 0.00 31.60 31.68 2g0b h MET 124 CO -0.00 0.63 -0.14 0.28 1.06 0.00 0.00 176.91 178.74 2g0b h VAL 125 N 0.98 0.71 -0.49 -2.22 2.07 -1.35 -2.32 116.25 113.63 2g0b h VAL 125 Ca 0.45 -0.62 0.03 0.00 0.82 0.00 0.00 66.70 67.38 2g0b h VAL 125 Cb 0.36 1.03 -0.04 0.00 -1.52 0.00 0.00 31.29 31.13 2g0b h VAL 125 CO -0.23 0.12 0.27 0.25 0.02 0.00 0.00 177.57 178.00 2g0b h LEU 126 N -0.75 0.43 -0.54 2.57 5.85 -0.51 0.18 115.31 122.54 2g0b h LEU 126 Ca -0.04 0.01 0.01 0.00 0.84 0.00 0.00 57.88 58.70 2g0b h LEU 126 Cb 0.50 -0.07 -0.03 0.00 0.37 0.00 0.00 40.66 41.43 2g0b h LEU 126 CO 0.07 0.30 0.36 0.74 -0.34 0.00 0.00 178.44 179.56 2g0b h THR 127 N 0.54 1.13 -0.11 1.05 2.02 -0.89 -0.81 112.91 115.85 2g0b h THR 127 Ca 0.20 -0.25 0.03 0.00 0.77 0.00 0.00 66.41 67.17 2g0b h THR 127 Cb 0.06 0.34 -0.04 0.00 -1.74 0.00 0.00 68.15 66.77 2g0b h THR 127 CO -0.11 0.13 -0.11 0.22 0.37 0.00 0.00 175.52 176.02 2g0b h TYR 128 N 0.73 -0.28 -0.02 3.16 3.20 -0.77 -1.92 116.97 121.06 2g0b h TYR 128 Ca 0.20 0.02 -0.01 0.00 3.14 0.00 0.00 58.73 62.08 2g0b h TYR 128 Cb -0.08 0.14 -0.00 0.00 1.54 0.00 0.00 36.73 38.33 2g0b h TYR 128 CO -0.04 -0.17 -0.03 0.00 -1.64 0.00 0.00 178.16 176.28 2g0b h ALA 129 N 0.93 1.91 0.10 1.82 0.00 -0.08 -0.31 119.26 123.63 2g0b h ALA 129 Ca 0.08 -0.04 -0.26 0.00 0.00 0.00 0.00 54.91 54.68 2g0b h ALA 129 Cb 0.25 -0.02 0.01 0.00 0.00 0.00 0.00 17.79 18.03 2g0b h ALA 129 CO -0.19 0.07 -1.17 -0.07 0.00 0.00 0.00 179.25 177.89 2g0b h LEU 130 N 0.03 0.50 -0.10 0.00 3.38 -0.84 -1.55 115.31 116.74 2g0b h LEU 130 Ca 0.01 -0.49 -0.18 0.00 0.09 0.00 0.00 57.88 57.31 2g0b h LEU 130 Cb 0.08 -0.16 -0.03 0.00 0.09 0.00 0.00 40.66 40.64 2g0b h LEU 130 CO 0.00 1.35 -0.85 -0.33 0.09 0.00 0.00 178.44 178.70 2g0b h GLU 131 N 0.13 0.00 -0.01 1.13 4.39 -0.76 -3.21 114.58 116.26 2g0b h GLU 131 Ca -0.13 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.57 2g0b h GLU 131 Cb 1.86 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 30.51 2g0b h GLU 131 CO 0.20 0.85 -0.12 2.41 -1.16 0.00 0.00 179.01 181.19 2g0b n THR 132 N -3.37 0.00 -3.55 1.13 -1.04 -0.18 -4.93 114.28 102.33 2g0b n THR 132 Ca 0.00 -0.11 -0.25 0.00 -2.04 0.00 0.00 64.05 61.65 2g0b n THR 132 Cb 0.86 0.12 0.06 0.00 -1.82 0.00 0.00 70.33 69.55 2g0b n THR 132 CO 0.00 0.00 0.00 1.41 -0.64 0.00 0.00 175.07 175.84 2g0b n HIS 133 N -0.66 -2.61 -2.38 -1.42 8.25 -1.16 -4.97 115.22 110.27 2g0b n HIS 133 Ca 0.15 0.90 -0.41 0.00 -0.26 0.00 0.00 57.72 58.11 2g0b n HIS 133 Cb 0.30 -4.72 -0.03 0.00 1.12 0.00 0.00 29.99 26.66 2g0b n HIS 133 CO 0.00 0.00 0.00 0.42 0.64 0.00 0.00 176.34 177.40 2g0b s ILE 134 N -3.28 3.52 -0.15 1.59 1.01 -0.59 -4.78 121.20 118.51 2g0b s ILE 134 Ca 0.55 1.32 -0.20 0.00 0.00 0.00 0.00 60.65 62.31 2g0b s ILE 134 Cb -0.25 -3.84 -0.18 0.00 0.01 0.00 0.00 42.46 38.20 2g0b s ILE 134 CO 0.68 0.23 0.42 0.44 0.00 0.00 0.00 174.94 176.71 2g0b h ASP 135 N 4.96 0.00 -3.36 3.58 3.32 -1.15 -3.41 116.42 120.36 2g0b h ASP 135 Ca -0.45 -0.62 -0.56 0.00 0.02 0.00 0.00 57.03 55.42 2g0b h ASP 135 Cb 1.21 0.00 -0.34 0.00 0.22 0.00 0.00 39.33 40.43 2g0b h ASP 135 CO 0.73 1.01 -0.83 -0.31 -1.72 0.00 0.00 179.24 178.12 2g0b s TYR 136 N -2.14 1.75 -0.46 4.55 1.51 -1.06 -1.40 117.35 120.11 2g0b s TYR 136 Ca -0.18 -0.72 -0.16 0.00 -1.01 0.00 0.00 57.07 55.01 2g0b s TYR 136 Cb 0.00 -1.26 0.06 0.00 -0.11 0.00 0.00 41.96 40.65 2g0b s TYR 136 CO 0.51 -0.36 0.39 -1.17 -1.11 0.00 0.00 175.55 173.81 2g0b s LEU 137 N 0.74 5.43 0.25 -1.29 2.96 -0.60 -2.03 118.68 124.14 2g0b s LEU 137 Ca -0.13 -1.17 -0.09 0.00 -0.22 0.00 0.00 54.13 52.53 2g0b s LEU 137 Cb -0.16 -2.20 -0.07 0.00 0.50 0.00 0.00 46.19 44.26 2g0b s LEU 137 CO 0.03 -0.61 0.57 0.00 -1.32 0.00 0.00 176.35 175.01 2g0b s ILE 139 N -1.89 -0.14 -0.27 0.00 -1.09 0.20 -1.52 121.20 116.48 2g0b s ILE 139 Ca 0.47 0.21 0.03 0.00 -2.23 0.00 0.00 60.65 59.13 2g0b s ILE 139 Cb -0.11 -0.34 0.07 0.00 -1.58 0.00 0.00 42.46 40.49 2g0b s ILE 139 CO 0.23 0.09 -0.09 -0.94 -1.23 0.00 0.00 174.94 173.00 2g0b s SER 140 N 1.59 4.50 0.28 3.58 1.04 -1.26 0.45 113.70 123.88 2g0b s SER 140 Ca -0.06 -1.50 0.09 0.00 0.48 0.00 0.00 55.95 54.96 2g0b s SER 140 Cb -0.11 -1.56 -0.06 0.00 0.10 0.00 0.00 66.02 64.39 2g0b s SER 140 CO -0.07 -0.22 -0.12 0.27 0.98 0.00 0.00 173.24 174.08 2g0b s ILE 141 N 1.08 2.02 0.20 -1.02 -4.36 -0.81 -4.90 121.20 113.41 2g0b s ILE 141 Ca -0.06 -2.23 -0.30 0.00 -0.26 0.00 0.00 60.65 57.79 2g0b s ILE 141 Cb -0.20 -2.38 -0.09 0.00 1.25 0.00 0.00 42.46 41.05 2g0b s ILE 141 CO -0.05 -0.36 1.25 0.21 0.24 0.00 0.00 174.94 176.22 2g0b s ASN 142 N -3.47 7.00 0.64 4.36 3.84 -1.26 -1.39 114.94 124.65 2g0b s ASN 142 Ca 0.29 2.33 0.23 0.00 0.21 0.00 0.00 52.86 55.92 2g0b s ASN 142 Cb 0.00 -2.61 1.21 0.00 -0.55 0.00 0.00 41.25 39.31 2g0b s ASN 142 CO 0.13 -0.44 1.68 -0.65 -2.79 0.00 0.00 177.10 175.03 2g0b h PRO 143 N 5.13 0.00 0.00 0.43 0.11 -1.93 0.54 132.00 136.28 2g0b h PRO 143 Ca -0.45 0.00 -0.06 0.00 0.11 0.00 0.00 66.00 65.60 2g0b h PRO 143 Cb 1.21 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.32 2g0b h PRO 143 CO 0.75 0.00 -0.31 1.57 -0.21 0.00 0.00 178.00 179.80 2g0b h LYS 144 N 0.00 0.00 -0.02 1.05 2.10 -1.97 -2.87 116.57 114.87 2g0b h LYS 144 Ca 0.09 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.74 2g0b h LYS 144 Cb 1.24 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.57 2g0b h LYS 144 CO -0.00 0.31 -0.07 0.72 -2.00 0.00 0.00 179.45 178.41 2g0b n HIS 145 N -3.68 0.00 -0.23 0.07 8.25 0.18 -4.49 115.22 115.31 2g0b n HIS 145 Ca -0.01 0.00 -0.06 0.00 -0.26 0.00 0.00 57.72 57.39 2g0b n HIS 145 Cb 0.42 -0.01 0.09 0.00 1.12 0.00 0.00 29.99 31.61 2g0b n HIS 145 CO 0.00 0.00 0.00 0.22 0.64 0.00 0.00 176.34 177.20 2g0b h ASP 146 N 3.33 1.01 0.40 0.41 1.82 -1.47 -2.34 116.42 119.58 2g0b h ASP 146 Ca 0.00 -0.19 -0.09 0.00 -0.39 0.00 0.00 57.03 56.36 2g0b h ASP 146 Cb 0.75 -0.26 -0.01 0.00 0.68 0.00 0.00 39.33 40.49 2g0b h ASP 146 CO 0.00 0.95 -0.43 0.00 -1.61 0.00 0.00 179.24 178.15 2g0b h THR 147 N 1.03 1.31 -0.05 2.25 1.03 -1.79 -2.72 112.91 113.97 2g0b h THR 147 Ca 0.22 -1.48 -0.02 0.00 -0.01 0.00 0.00 66.41 65.12 2g0b h THR 147 Cb 0.31 1.78 -0.00 0.00 -1.07 0.00 0.00 68.15 69.16 2g0b h THR 147 CO -0.01 0.43 -0.06 0.15 -0.01 0.00 0.00 175.52 176.02 2g0b h PHE 148 N 0.03 0.16 0.00 0.00 3.57 -1.74 -3.19 116.94 115.78 2g0b h PHE 148 Ca -0.00 -0.05 -0.07 0.00 3.53 0.00 0.00 57.97 61.38 2g0b h PHE 148 Cb 0.77 -0.03 -0.01 0.00 2.79 0.00 0.00 35.95 39.46 2g0b h PHE 148 CO 0.00 0.60 -0.34 1.88 -2.23 0.00 0.00 178.31 178.22 2g0b h TYR 149 N -0.32 0.00 -0.11 0.41 -1.99 -1.38 -1.88 116.97 111.70 2g0b h TYR 149 Ca 0.01 0.00 -0.13 0.00 2.00 0.00 0.00 58.73 60.60 2g0b h TYR 149 Cb 0.58 0.00 -0.01 0.00 2.00 0.00 0.00 36.73 39.30 2g0b h TYR 149 CO 0.10 0.34 -0.52 0.66 -0.00 0.00 0.00 178.16 178.74 2g0b h SER 150 N 0.00 0.33 0.46 3.88 4.64 -1.58 -1.47 113.55 119.81 2g0b h SER 150 Ca -0.00 -0.17 -0.09 0.00 -0.47 0.00 0.00 61.79 61.06 2g0b h SER 150 Cb 0.72 -0.09 -0.01 0.00 -0.31 0.00 0.00 62.40 62.70 2g0b h SER 150 CO 0.04 0.79 -0.44 -0.07 -0.87 0.00 0.00 176.83 176.29 2g0b h LEU 151 N 0.23 0.00 0.00 5.97 3.38 -1.35 -2.25 115.31 121.29 2g0b h LEU 151 Ca 0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.98 2g0b h LEU 151 Cb 1.00 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.75 2g0b h LEU 151 CO 0.08 0.44 0.00 -0.11 0.09 0.00 0.00 178.44 178.94 2g0b n LEU 152 N -3.98 0.00 0.00 1.67 7.94 -0.79 -2.57 117.00 119.27 2g0b n LEU 152 Ca -0.02 0.48 0.00 0.00 -1.11 0.00 0.00 56.01 55.36 2g0b n LEU 152 Cb 0.47 -0.48 0.00 0.00 0.53 0.00 0.00 43.42 43.94 2g0b n LEU 152 CO 0.39 -0.09 0.00 0.61 -1.11 0.00 0.00 177.39 177.20 2g0b n GLY 153 N 0.93 1.14 3.61 -3.96 0.00 -0.84 -4.50 105.19 101.55 2g0b n GLY 153 Ca 0.06 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.66 2g0b n GLY 153 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2g0b s PHE 154 N -2.00 3.10 0.33 1.61 0.40 -0.60 -4.70 117.98 116.12 2g0b s PHE 154 Ca 0.00 0.86 -0.26 0.00 -0.60 0.00 0.00 56.93 56.93 2g0b s PHE 154 Cb 0.00 -3.63 -0.10 0.00 0.51 0.00 0.00 43.02 39.80 2g0b s PHE 154 CO 0.00 -0.80 0.98 0.99 0.70 0.00 0.00 175.22 177.09 2g0b s THR 155 N 3.48 4.04 0.13 0.64 2.01 0.06 -4.17 115.64 121.84 2g0b s THR 155 Ca 0.39 1.71 -0.30 0.00 0.31 0.00 0.00 61.69 63.80 2g0b s THR 155 Cb -0.12 -3.96 -0.07 0.00 0.01 0.00 0.00 72.50 68.36 2g0b s THR 155 CO 0.18 0.15 1.23 -1.58 -0.69 0.00 0.00 174.62 173.91 2g0b s GLN 156 N -2.04 4.44 0.00 4.92 0.74 -1.26 -0.76 119.66 125.70 2g0b s GLN 156 Ca 0.51 1.88 0.00 0.00 0.05 0.00 0.00 55.36 57.80 2g0b s GLN 156 Cb -0.21 -3.28 0.00 0.00 1.10 0.00 0.00 33.01 30.63 2g0b s GLN 156 CO 0.26 -0.21 0.00 0.44 -0.55 0.00 0.00 175.29 175.24 2g0b n ILE 157 N 3.22 0.00 -3.91 -2.34 -5.35 -0.73 -4.90 119.36 105.36 2g0b n ILE 157 Ca 0.07 -0.26 -0.11 0.00 -0.27 0.00 0.00 62.75 62.19 2g0b n ILE 157 Cb 0.45 0.77 -0.12 0.00 -1.74 0.00 0.00 39.64 39.00 2g0b n ILE 157 CO 0.00 0.00 0.00 -0.83 -1.76 0.00 0.00 176.55 173.96 2g0b s GLY 158 N -1.22 0.09 0.96 3.28 0.00 -1.15 -4.87 107.32 104.42 2g0b s GLY 158 Ca 0.00 -0.21 -0.12 0.00 0.00 0.00 0.00 44.72 44.39 2g0b s GLY 158 CO 0.00 -0.27 1.11 0.00 0.00 0.00 0.00 173.10 173.94 2g0b s ALA 159 N -0.86 1.26 -0.17 3.20 0.00 -1.26 -2.99 121.76 120.94 2g0b s ALA 159 Ca -0.09 -0.40 -0.29 0.00 0.00 0.00 0.00 51.96 51.17 2g0b s ALA 159 Cb -0.06 -3.09 -0.04 0.00 0.00 0.00 0.00 23.12 19.93 2g0b s ALA 159 CO -0.00 -2.63 1.75 -1.17 0.00 0.00 0.00 175.76 173.72 2g0b s LEU 160 N -6.30 3.95 0.14 0.00 2.96 -1.26 -4.36 118.68 113.81 2g0b s LEU 160 Ca 0.65 1.87 0.03 0.00 -0.22 0.00 0.00 54.13 56.46 2g0b s LEU 160 Cb -0.17 -3.53 -0.04 0.00 0.50 0.00 0.00 46.19 42.94 2g0b s LEU 160 CO 0.56 -1.30 -0.08 -0.54 -1.32 0.00 0.00 176.35 173.68 2g0b s LYS 161 N 4.82 1.02 -0.17 1.98 1.02 -0.33 -4.95 119.74 123.13 2g0b s LYS 161 Ca 0.78 -1.44 -0.28 0.00 0.02 0.00 0.00 55.97 55.05 2g0b s LYS 161 Cb -0.29 -0.48 -0.01 0.00 -0.52 0.00 0.00 37.83 36.53 2g0b s LYS 161 CO 0.32 0.02 0.95 -1.58 -0.92 0.00 0.00 175.35 174.14 2g0b s HIS 162 N -3.44 3.42 -0.48 3.18 5.65 -1.26 -0.87 115.29 121.49 2g0b s HIS 162 Ca 0.17 1.42 -0.18 0.00 0.25 0.00 0.00 55.06 56.72 2g0b s HIS 162 Cb 0.04 -3.15 0.05 0.00 -1.18 0.00 0.00 32.58 28.33 2g0b s HIS 162 CO -0.00 -0.32 0.56 -0.47 -0.65 0.00 0.00 174.74 173.86 2g0b s TYR 163 N 2.46 3.10 0.30 3.88 6.04 -0.71 -4.95 117.35 127.47 2g0b s TYR 163 Ca 0.43 -0.49 0.04 0.00 0.04 0.00 0.00 57.07 57.09 2g0b s TYR 163 Cb -0.17 -3.33 0.47 0.00 -1.04 0.00 0.00 41.96 37.90 2g0b s TYR 163 CO 0.12 -0.91 1.76 0.78 -1.54 0.00 0.00 175.55 175.75 2g0b h GLY 164 N 9.45 0.48 1.78 8.97 0.00 -1.95 0.29 103.07 122.09 2g0b h GLY 164 Ca -0.27 -0.37 0.02 0.00 0.00 0.00 0.00 47.33 46.71 2g0b h GLY 164 CO 0.91 0.34 0.09 -0.84 0.00 0.00 0.00 176.54 177.04 2g0b h THR 165 N 0.40 0.58 0.00 4.70 2.02 -1.95 -3.00 112.91 115.65 2g0b h THR 165 Ca 0.06 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.24 2g0b h THR 165 Cb 0.61 0.93 0.00 0.00 -1.74 0.00 0.00 68.15 67.95 2g0b h THR 165 CO 0.04 0.00 -0.85 0.52 0.37 0.00 0.00 175.52 175.60 2g0b n VAL 166 N -3.95 0.00 -3.55 3.16 0.31 -1.00 -4.30 118.33 109.01 2g0b n VAL 166 Ca -0.01 -0.16 -0.24 0.00 -0.01 0.00 0.00 64.34 63.93 2g0b n VAL 166 Cb 0.19 0.59 0.08 0.00 -0.91 0.00 0.00 33.84 33.78 2g0b n VAL 166 CO 0.00 0.00 0.00 -3.20 -1.32 0.00 0.00 176.83 172.31 2g0b n ASN 167 N -1.45 -6.33 -3.74 4.52 5.15 0.98 -0.19 115.26 114.20 2g0b n ASN 167 Ca -0.00 -0.52 -0.10 0.00 -0.60 0.00 0.00 54.58 53.36 2g0b n ASN 167 Cb 0.06 -4.97 -0.06 0.00 -0.53 0.00 0.00 39.78 34.28 2g0b n ASN 167 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2g0b s ALA 168 N -3.31 -0.59 0.82 5.20 0.00 -1.14 -4.82 121.76 117.93 2g0b s ALA 168 Ca 0.56 -0.31 -0.12 0.00 0.00 0.00 0.00 51.96 52.09 2g0b s ALA 168 Cb -0.25 0.57 0.09 0.00 0.00 0.00 0.00 23.12 23.53 2g0b s ALA 168 CO 0.70 -0.56 1.18 -2.14 0.00 0.00 0.00 175.76 174.93 2g0b s PRO 169 N -3.74 1.60 -0.14 0.00 0.02 -1.26 -1.75 135.00 129.73 2g0b s PRO 169 Ca 0.03 1.64 -0.15 0.00 0.02 0.00 0.00 61.00 62.54 2g0b s PRO 169 Cb 0.03 -1.78 0.04 0.00 0.02 0.00 0.00 34.50 32.81 2g0b s PRO 169 CO -0.11 -2.22 0.43 0.00 -0.33 0.00 0.00 177.00 174.77 2g0b s ALA 170 N -2.35 -1.06 -0.08 -1.55 0.00 -0.05 -4.38 121.76 112.30 2g0b s ALA 170 Ca 0.70 1.14 0.04 0.00 0.00 0.00 0.00 51.96 53.84 2g0b s ALA 170 Cb -0.26 -0.62 -0.00 0.00 0.00 0.00 0.00 23.12 22.25 2g0b s ALA 170 CO 0.52 -0.21 -0.21 0.42 0.00 0.00 0.00 175.76 176.27 2g0b s ILE 171 N 0.05 1.83 0.03 0.00 1.01 -0.49 -1.19 121.20 122.44 2g0b s ILE 171 Ca -0.02 -0.90 -0.25 0.00 0.00 0.00 0.00 60.65 59.48 2g0b s ILE 171 Cb -0.03 -1.58 -0.05 0.00 0.01 0.00 0.00 42.46 40.80 2g0b s ILE 171 CO 0.01 0.51 0.77 0.00 0.00 0.00 0.00 174.94 176.23 2g0b s ALA 172 N 0.25 3.36 0.02 9.38 0.00 -1.16 -1.92 121.76 131.69 2g0b s ALA 172 Ca -0.13 0.27 0.01 0.00 0.00 0.00 0.00 51.96 52.11 2g0b s ALA 172 Cb -0.16 -3.00 -0.02 0.00 0.00 0.00 0.00 23.12 19.94 2g0b s ALA 172 CO 0.06 0.03 -0.05 1.03 0.00 0.00 0.00 175.76 176.84 2g0b s ARG 173 N 0.09 0.36 0.06 0.00 0.52 0.17 -1.78 118.95 118.37 2g0b s ARG 173 Ca 0.39 -0.53 0.01 0.00 -0.52 0.00 0.00 55.73 55.08 2g0b s ARG 173 Cb -0.20 -0.11 -0.03 0.00 0.52 0.00 0.00 34.95 35.12 2g0b s ARG 173 CO 0.23 0.01 -0.06 0.00 0.02 0.00 0.00 175.30 175.50 2g0b s ALA 174 N -1.08 0.62 -0.14 2.13 0.00 0.06 0.63 121.76 123.98 2g0b s ALA 174 Ca -0.10 -0.98 0.01 0.00 0.00 0.00 0.00 51.96 50.89 2g0b s ALA 174 Cb -0.08 0.13 0.02 0.00 0.00 0.00 0.00 23.12 23.19 2g0b s ALA 174 CO -0.00 -0.16 -0.15 -1.17 0.00 0.00 0.00 175.76 174.28 2g0b s LEU 175 N -2.21 1.74 -0.60 0.00 2.96 -0.70 -0.76 118.68 119.12 2g0b s LEU 175 Ca -0.02 -0.49 -0.27 0.00 -0.22 0.00 0.00 54.13 53.14 2g0b s LEU 175 Cb -0.03 -1.19 -0.01 0.00 0.50 0.00 0.00 46.19 45.47 2g0b s LEU 175 CO -0.03 -0.03 1.68 -0.47 -1.32 0.00 0.00 176.35 176.18 2g0b s TYR 176 N 1.30 1.89 0.13 5.38 5.04 -1.26 -1.56 117.35 128.27 2g0b s TYR 176 Ca 0.01 0.58 -0.18 0.00 -2.44 0.00 0.00 57.07 55.04 2g0b s TYR 176 Cb -0.14 -4.24 -0.03 0.00 0.35 0.00 0.00 41.96 37.90 2g0b s TYR 176 CO -0.08 -2.26 1.76 0.28 -1.34 0.00 0.00 175.55 173.91 2g0b h VAL 177 N 6.64 1.11 -0.12 3.14 2.07 -1.48 -2.91 116.25 124.69 2g0b h VAL 177 Ca -0.27 -0.24 0.03 0.00 0.82 0.00 0.00 66.70 67.04 2g0b h VAL 177 Cb 1.13 0.73 -0.00 0.00 -1.52 0.00 0.00 31.29 31.62 2g0b h VAL 177 CO 1.21 0.10 0.29 -0.65 0.02 0.00 0.00 177.57 178.54 2g0b h PRO 178 N 0.39 0.00 -1.26 1.57 0.11 -1.79 -1.15 132.00 129.87 2g0b h PRO 178 Ca 0.11 0.00 -0.49 0.00 0.11 0.00 0.00 66.00 65.73 2g0b h PRO 178 Cb 0.01 0.00 -0.41 0.00 0.11 0.00 0.00 31.00 30.71 2g0b h PRO 178 CO -0.02 0.00 -0.92 0.39 -0.21 0.00 0.00 178.00 177.24 2g0b n GLU 179 N -3.25 2.53 0.03 1.05 1.02 -1.11 -4.91 120.64 116.00 2g0b n GLU 179 Ca 0.00 -3.99 -0.02 0.00 -0.02 0.00 0.00 57.16 53.13 2g0b n GLU 179 Cb 0.38 -1.86 0.23 0.00 -0.02 0.00 0.00 31.44 30.18 2g0b n GLU 179 CO 0.00 0.00 0.00 0.11 1.18 0.00 0.00 177.13 178.42 2g0b h TRP 180 N 2.72 0.48 0.00 -0.32 5.08 -1.05 -3.03 115.95 119.82 2g0b h TRP 180 Ca 0.14 -0.09 0.00 0.00 1.08 0.00 0.00 58.89 60.02 2g0b h TRP 180 Cb 1.06 -0.12 0.00 0.00 -3.00 0.00 0.00 29.16 27.10 2g0b h TRP 180 CO 0.69 0.64 -0.25 0.07 -1.28 0.00 0.00 178.44 178.31 2g0b h ARG 181 N 0.38 0.00 0.00 0.12 0.11 -1.89 -3.05 114.38 110.05 2g0b h ARG 181 Ca 0.06 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.14 2g0b h ARG 181 Cb 0.62 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.70 2g0b h ARG 181 CO 0.04 0.00 -0.21 0.66 0.10 0.00 0.00 179.97 180.56 2g0b h SER 182 N 0.00 0.00 0.00 0.08 4.64 -1.93 -3.35 113.55 112.99 2g0b h SER 182 Ca 0.00 -0.07 -0.02 0.00 -0.47 0.00 0.00 61.79 61.23 2g0b h SER 182 Cb 0.76 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.84 2g0b h SER 182 CO 0.00 0.03 -1.94 0.00 -0.87 0.00 0.00 176.83 174.05 2g0b n GLN 183 N -2.26 0.63 -3.62 4.77 6.02 -1.16 -4.96 117.38 116.79 2g0b n GLN 183 Ca 0.05 -0.17 -0.24 0.00 -0.01 0.00 0.00 57.00 56.62 2g0b n GLN 183 Cb 0.44 -1.48 -0.02 0.00 1.02 0.00 0.00 30.24 30.20 2g0b n GLN 183 CO 0.00 0.00 0.00 -0.08 -1.01 0.00 0.00 177.06 175.97 2g0b s THR 184 N -3.34 5.17 -1.78 5.09 -1.32 -1.17 -4.23 115.64 114.05 2g0b s THR 184 Ca -0.07 -0.57 0.27 0.00 -1.21 0.00 0.00 61.69 60.10 2g0b s THR 184 Cb 0.12 -3.82 0.31 0.00 -1.51 0.00 0.00 72.50 67.60 2g0b s THR 184 CO 0.83 -0.39 1.61 0.18 -2.21 0.00 0.00 174.62 174.65 2g0b n LEU 185 N -1.37 0.98 0.02 9.08 4.77 -1.06 -3.93 117.00 125.49 2g0b n LEU 185 Ca -0.06 -0.24 -0.00 0.00 -0.03 0.00 0.00 56.01 55.68 2g0b n LEU 185 Cb 0.56 -0.12 0.30 0.00 -2.33 0.00 0.00 43.42 41.82 2g0b n LEU 185 CO 0.48 0.18 0.91 -0.07 -1.33 0.00 0.00 177.39 177.56 2g0b h LEU 186 N 1.19 0.46 -1.77 2.23 3.38 -1.92 -2.78 115.31 116.10 2g0b h LEU 186 Ca 0.00 -0.09 0.00 0.00 0.09 0.00 0.00 57.88 57.88 2g0b h LEU 186 Cb 0.49 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 41.12 2g0b h LEU 186 CO 0.00 0.55 0.00 0.00 0.09 0.00 0.00 178.44 179.08 2g0b h ALA 187 N 1.50 1.00 0.00 1.53 0.00 -1.80 0.11 119.26 121.60 2g0b h ALA 187 Ca 0.10 0.00 -0.09 0.00 0.00 0.00 0.00 54.91 54.92 2g0b h ALA 187 Cb 0.37 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.14 2g0b h ALA 187 CO 0.02 0.00 -0.42 0.37 0.00 0.00 0.00 179.25 179.22 2g0b h GLN 188 N 0.00 0.00 -2.08 0.00 5.75 -1.75 -2.91 115.11 114.12 2g0b h GLN 188 Ca 0.00 0.00 -0.73 0.00 -0.15 0.00 0.00 58.65 57.77 2g0b h GLN 188 Cb 0.25 0.00 -0.25 0.00 1.07 0.00 0.00 27.48 28.55 2g0b h GLN 188 CO 0.00 0.42 1.02 1.19 -2.65 0.00 0.00 178.83 178.81 2g0b n PHE 189 N -3.71 2.67 -1.08 3.99 3.01 0.37 -5.20 117.46 117.51 2g0b n PHE 189 Ca -0.01 -2.33 0.00 0.00 1.01 0.00 0.00 57.45 56.12 2g0b n PHE 189 Cb 0.50 -1.26 0.00 0.00 -0.01 0.00 0.00 39.48 38.70 2g0b n PHE 189 CO 0.00 0.00 0.00 -1.33 1.01 0.00 0.00 176.76 176.44