#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3gbc s ARG 2 N 0.00 2.83 0.14 2.12 3.52 -1.26 -2.06 118.95 124.24 3gbc s ARG 2 Ca 0.00 -0.82 0.08 0.00 -0.13 0.00 0.00 55.73 54.86 3gbc s ARG 2 Cb 0.00 -2.33 -0.04 0.00 -1.56 0.00 0.00 34.95 31.02 3gbc s ARG 2 CO 0.00 0.34 -0.19 0.00 -0.81 0.00 0.00 175.30 174.64 3gbc s ALA 3 N -0.03 1.90 -0.07 6.12 0.00 -0.34 -1.26 121.76 128.08 3gbc s ALA 3 Ca -0.06 -1.38 -0.17 0.00 0.00 0.00 0.00 51.96 50.35 3gbc s ALA 3 Cb -0.15 -0.20 -0.05 0.00 0.00 0.00 0.00 23.12 22.73 3gbc s ALA 3 CO 0.05 0.27 0.45 -1.17 0.00 0.00 0.00 175.76 175.36 3gbc s LEU 4 N -2.37 4.35 -0.27 0.00 2.96 -0.09 -1.01 118.68 122.27 3gbc s LEU 4 Ca 0.12 0.87 -0.03 0.00 -0.22 0.00 0.00 54.13 54.87 3gbc s LEU 4 Cb -0.07 -2.65 0.03 0.00 0.50 0.00 0.00 46.19 43.99 3gbc s LEU 4 CO 0.05 0.13 -0.03 -0.63 -1.32 0.00 0.00 176.35 174.56 3gbc s ILE 5 N -0.04 3.08 -0.40 6.68 -1.09 0.16 -2.32 121.20 127.26 3gbc s ILE 5 Ca 0.25 -1.03 -0.18 0.00 -2.23 0.00 0.00 60.65 57.45 3gbc s ILE 5 Cb -0.16 -2.61 0.01 0.00 -1.58 0.00 0.00 42.46 38.13 3gbc s ILE 5 CO 0.11 0.12 0.50 -0.63 -1.23 0.00 0.00 174.94 173.81 3gbc s ILE 6 N 1.34 5.02 -0.37 2.92 1.01 -0.76 -1.64 121.20 128.72 3gbc s ILE 6 Ca -0.00 -0.04 -0.16 0.00 0.00 0.00 0.00 60.65 60.44 3gbc s ILE 6 Cb -0.17 -4.04 -0.00 0.00 0.01 0.00 0.00 42.46 38.26 3gbc s ILE 6 CO -0.03 -0.38 0.40 -0.69 0.00 0.00 0.00 174.94 174.24 3gbc s VAL 7 N 2.35 5.12 -1.07 2.92 1.01 -0.01 -2.12 120.40 128.60 3gbc s VAL 7 Ca 0.16 -0.04 -0.07 0.00 0.00 0.00 0.00 61.98 62.04 3gbc s VAL 7 Cb -0.16 -3.91 0.01 0.00 0.00 0.00 0.00 36.38 32.32 3gbc s VAL 7 CO 0.15 -0.21 0.93 0.47 0.00 0.00 0.00 175.10 176.44 3gbc n ASP 8 N 5.49 -5.29 -3.90 3.32 9.92 -1.14 -1.81 116.55 123.14 3gbc n ASP 8 Ca -0.08 -0.43 -0.43 0.00 -0.53 0.00 0.00 54.79 53.32 3gbc n ASP 8 Cb 0.49 -4.10 0.00 0.00 -0.64 0.00 0.00 41.12 36.88 3gbc n ASP 8 CO 0.00 0.00 0.00 0.52 0.13 0.00 0.00 177.20 177.85 3gbc n VAL 9 N -4.44 4.25 -4.36 2.53 0.31 -1.26 -4.43 118.33 110.94 3gbc n VAL 9 Ca -0.01 -4.28 -0.25 0.00 -0.01 0.00 0.00 64.34 59.79 3gbc n VAL 9 Cb 0.55 -2.39 -0.09 0.00 -0.91 0.00 0.00 33.84 31.01 3gbc n VAL 9 CO 0.00 0.00 0.00 -1.10 -1.32 0.00 0.00 176.83 174.41 3gbc s GLN 10 N 0.77 2.05 0.25 5.55 -0.21 -1.26 -2.00 119.66 124.80 3gbc s GLN 10 Ca 0.41 -1.78 -0.04 0.00 0.02 0.00 0.00 55.36 53.96 3gbc s GLN 10 Cb 0.09 -1.90 0.47 0.00 1.00 0.00 0.00 33.01 32.68 3gbc s GLN 10 CO -0.00 0.12 1.71 -0.91 -2.12 0.00 0.00 175.29 174.09 3gbc h ASN 11 N 1.82 0.20 0.00 5.90 2.35 -1.16 -2.63 115.58 122.06 3gbc h ASN 11 Ca -0.43 0.12 0.00 0.00 -0.55 0.00 0.00 56.30 55.45 3gbc h ASN 11 Cb 1.25 0.12 0.00 0.00 0.05 0.00 0.00 38.32 39.74 3gbc h ASN 11 CO 0.68 0.05 0.00 0.47 -1.65 0.00 0.00 177.43 176.98 3gbc n ASP 12 N -5.05 0.00 0.00 5.81 8.00 -0.78 -1.63 116.55 122.91 3gbc n ASP 12 Ca 0.15 -0.59 0.00 0.00 0.71 0.00 0.00 54.79 55.05 3gbc n ASP 12 Cb 0.44 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.54 3gbc n ASP 12 CO 0.00 0.00 0.00 0.49 -0.39 0.00 0.00 177.20 177.30 3gbc n PHE 13 N -0.94 0.00 -4.01 1.24 3.72 -1.00 -0.45 117.46 116.01 3gbc n PHE 13 Ca 0.11 0.00 -0.27 0.00 -0.05 0.00 0.00 57.45 57.24 3gbc n PHE 13 Cb 0.05 0.00 -0.02 0.00 -0.94 0.00 0.00 39.48 38.57 3gbc n PHE 13 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 3gbc n GLU 15 N -1.69 2.78 0.00 0.00 4.71 -1.26 -0.82 120.64 124.36 3gbc n GLU 15 Ca -0.04 1.01 0.00 0.00 -0.01 0.00 0.00 57.16 58.12 3gbc n GLU 15 Cb 0.65 -2.91 0.00 0.00 -1.01 0.00 0.00 31.44 28.17 3gbc n GLU 15 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 3gbc n GLY 16 N 4.26 2.20 3.91 0.62 0.00 -1.26 -5.00 105.19 109.92 3gbc n GLY 16 Ca 0.18 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.92 3gbc n GLY 16 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3gbc s GLY 17 N -2.28 1.65 0.51 -0.02 0.00 -0.00 -4.96 107.32 102.22 3gbc s GLY 17 Ca 0.00 -0.83 0.30 0.00 0.00 0.00 0.00 44.72 44.19 3gbc s GLY 17 CO 0.00 -0.30 1.92 1.48 0.00 0.00 0.00 173.10 176.20 3gbc h SER 18 N -1.08 0.00 -1.89 1.64 4.64 -1.83 -3.19 113.55 111.85 3gbc h SER 18 Ca -0.45 0.00 -0.58 0.00 -0.47 0.00 0.00 61.79 60.29 3gbc h SER 18 Cb 1.31 0.00 -0.42 0.00 -0.31 0.00 0.00 62.40 62.98 3gbc h SER 18 CO 0.59 0.08 -0.73 0.18 -0.87 0.00 0.00 176.83 176.08 3gbc n LEU 19 N -3.20 4.30 -4.67 5.97 4.32 0.40 -4.93 117.00 119.20 3gbc n LEU 19 Ca 0.01 -5.38 -0.44 0.00 -0.02 0.00 0.00 56.01 50.18 3gbc n LEU 19 Cb 0.36 -0.42 -0.03 0.00 -1.62 0.00 0.00 43.42 41.70 3gbc n LEU 19 CO 0.30 2.27 1.57 0.00 -1.22 0.00 0.00 177.39 180.31 3gbc n ALA 20 N -0.32 1.47 -3.34 -1.18 0.00 -1.21 -4.26 120.51 111.67 3gbc n ALA 20 Ca 0.33 0.24 -0.39 0.00 0.00 0.00 0.00 53.44 53.62 3gbc n ALA 20 Cb 0.54 -2.63 -0.11 0.00 0.00 0.00 0.00 19.45 17.24 3gbc n ALA 20 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 3gbc s VAL 21 N 4.23 3.97 0.01 0.00 1.01 -0.76 -4.95 120.40 123.91 3gbc s VAL 21 Ca 0.89 -1.41 -0.38 0.00 0.00 0.00 0.00 61.98 61.08 3gbc s VAL 21 Cb -0.50 -3.41 -0.18 0.00 0.00 0.00 0.00 36.38 32.29 3gbc s VAL 21 CO 0.44 -0.43 1.29 0.41 0.00 0.00 0.00 175.10 176.80 3gbc n THR 22 N 4.84 0.02 0.00 3.92 -1.04 -1.26 -0.02 114.28 120.75 3gbc n THR 22 Ca -0.10 -0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.91 3gbc n THR 22 Cb 0.43 -0.56 0.00 0.00 -1.82 0.00 0.00 70.33 68.38 3gbc n THR 22 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 3gbc n GLY 23 N 2.35 1.24 0.20 3.41 0.00 -1.26 -4.76 105.19 106.38 3gbc n GLY 23 Ca 0.20 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 46.16 3gbc n GLY 23 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 3gbc h GLY 24 N 0.00 -1.67 0.98 -0.02 0.00 -0.73 -1.81 103.07 99.82 3gbc h GLY 24 Ca 0.00 0.88 -0.01 0.00 0.00 0.00 0.00 47.33 48.21 3gbc h GLY 24 CO 0.00 -0.49 0.29 0.00 0.00 0.00 0.00 176.54 176.33 3gbc h ALA 25 N -0.52 0.63 -1.00 3.60 0.00 -1.91 -0.44 119.26 119.62 3gbc h ALA 25 Ca 0.05 -0.08 0.12 0.00 0.00 0.00 0.00 54.91 55.01 3gbc h ALA 25 Cb 0.24 -0.20 -0.08 0.00 0.00 0.00 0.00 17.79 17.74 3gbc h ALA 25 CO -0.35 0.14 0.63 0.00 0.00 0.00 0.00 179.25 179.66 3gbc h ALA 26 N 1.13 1.55 -0.21 0.00 0.00 -1.95 -2.41 119.26 117.36 3gbc h ALA 26 Ca 0.18 0.02 -0.10 0.00 0.00 0.00 0.00 54.91 55.01 3gbc h ALA 26 Cb 0.02 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.60 3gbc h ALA 26 CO -0.03 0.20 -0.28 1.25 0.00 0.00 0.00 179.25 180.39 3gbc h LEU 27 N 0.97 0.42 -0.66 0.00 5.85 -0.19 -2.15 115.31 119.55 3gbc h LEU 27 Ca 0.50 -0.15 0.05 0.00 0.84 0.00 0.00 57.88 59.12 3gbc h LEU 27 Cb 0.52 -0.11 -0.05 0.00 0.37 0.00 0.00 40.66 41.38 3gbc h LEU 27 CO -0.26 0.69 0.38 0.00 -0.34 0.00 0.00 178.44 178.91 3gbc h ALA 28 N 1.34 0.88 0.00 1.25 0.00 -1.04 -1.68 119.26 120.00 3gbc h ALA 28 Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.97 3gbc h ALA 28 Cb 0.68 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.32 3gbc h ALA 28 CO 0.05 0.08 -0.85 2.89 0.00 0.00 0.00 179.25 181.42 3gbc n ARG 29 N -4.76 0.24 -0.00 0.00 1.85 -1.13 -2.77 116.66 110.08 3gbc n ARG 29 Ca 0.08 0.02 -0.05 0.00 -1.00 0.00 0.00 57.85 56.89 3gbc n ARG 29 Cb 0.14 -1.60 0.15 0.00 -1.05 0.00 0.00 32.46 30.10 3gbc n ARG 29 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 3gbc h ALA 30 N 2.62 0.97 -0.06 2.89 0.00 -1.07 -3.31 119.26 121.30 3gbc h ALA 30 Ca 0.00 -0.39 -0.08 0.00 0.00 0.00 0.00 54.91 54.44 3gbc h ALA 30 Cb 0.69 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.37 3gbc h ALA 30 CO 0.00 0.61 -0.26 0.82 0.00 0.00 0.00 179.25 180.41 3gbc h ILE 31 N 0.45 1.44 -3.33 0.00 2.04 -1.23 -3.00 117.51 113.89 3gbc h ILE 31 Ca 0.05 -1.69 -0.57 0.00 1.00 0.00 0.00 64.86 63.66 3gbc h ILE 31 Cb 0.78 2.35 0.12 0.00 -0.74 0.00 0.00 36.82 39.34 3gbc h ILE 31 CO 0.06 0.48 0.40 -1.20 0.00 0.00 0.00 178.15 177.90 3gbc n SER 32 N -4.48 2.26 0.00 1.72 7.64 -1.11 -2.63 113.62 117.00 3gbc n SER 32 Ca -0.08 1.12 0.00 0.00 1.01 0.00 0.00 58.87 60.92 3gbc n SER 32 Cb 0.47 -1.45 0.00 0.00 -1.01 0.00 0.00 64.21 62.22 3gbc n SER 32 CO 0.00 0.00 0.00 -0.90 -3.01 0.00 0.00 175.04 171.13 3gbc n ASP 33 N 0.46 0.00 -3.44 6.43 5.68 -1.26 -4.80 116.55 119.62 3gbc n ASP 33 Ca 0.07 0.00 -0.26 0.00 -0.50 0.00 0.00 54.79 54.09 3gbc n ASP 33 Cb 0.38 -0.27 0.22 0.00 -1.14 0.00 0.00 41.12 40.31 3gbc n ASP 33 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 3gbc n TYR 34 N -1.66 -3.80 0.00 2.11 4.19 -1.08 -2.74 117.16 114.18 3gbc n TYR 34 Ca 0.00 -0.88 0.00 0.00 3.31 0.00 0.00 57.90 60.33 3gbc n TYR 34 Cb 0.00 -1.01 0.00 0.00 0.49 0.00 0.00 39.34 38.82 3gbc n TYR 34 CO 0.00 0.00 0.00 1.28 0.91 0.00 0.00 176.86 179.05 3gbc n LEU 35 N 0.00 0.00 0.13 2.98 4.77 0.23 -4.08 117.00 121.02 3gbc n LEU 35 Ca 0.13 0.00 0.03 0.00 -0.03 0.00 0.00 56.01 56.15 3gbc n LEU 35 Cb 0.52 0.00 0.02 0.00 -2.33 0.00 0.00 43.42 41.63 3gbc n LEU 35 CO 0.36 0.00 0.36 0.00 -1.33 0.00 0.00 177.39 176.78 3gbc h ALA 36 N 0.00 0.69 -2.82 -1.18 0.00 -1.83 -3.43 119.26 110.69 3gbc h ALA 36 Ca 0.00 -0.46 0.00 0.00 0.00 0.00 0.00 54.91 54.45 3gbc h ALA 36 Cb 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.78 3gbc h ALA 36 CO 0.00 0.59 0.00 0.39 0.00 0.00 0.00 179.25 180.23 3gbc n GLU 37 N -3.14 0.00 -1.65 0.00 -0.58 -1.11 -4.95 120.64 109.21 3gbc n GLU 37 Ca 0.00 0.00 -0.09 0.00 -0.42 0.00 0.00 57.16 56.66 3gbc n GLU 37 Cb 0.73 -0.02 0.04 0.00 -0.57 0.00 0.00 31.44 31.61 3gbc n GLU 37 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 3gbc n ALA 38 N -1.45 0.33 0.00 0.62 0.00 -1.26 -4.95 120.51 113.80 3gbc n ALA 38 Ca 0.00 -0.84 0.00 0.00 0.00 0.00 0.00 53.44 52.60 3gbc n ALA 38 Cb 0.00 0.19 0.00 0.00 0.00 0.00 0.00 19.45 19.64 3gbc n ALA 38 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3gbc n ALA 39 N -2.82 0.00 -2.74 0.00 0.00 -1.26 0.75 120.51 114.43 3gbc n ALA 39 Ca -0.06 0.00 -0.08 0.00 0.00 0.00 0.00 53.44 53.29 3gbc n ALA 39 Cb 0.25 0.00 0.04 0.00 0.00 0.00 0.00 19.45 19.73 3gbc n ALA 39 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 3gbc n ASP 40 N 0.00 -2.63 -3.86 0.00 9.92 -1.26 -5.03 116.55 113.68 3gbc n ASP 40 Ca 0.00 -0.26 -0.29 0.00 -0.53 0.00 0.00 54.79 53.71 3gbc n ASP 40 Cb 0.00 -2.51 -0.16 0.00 -0.64 0.00 0.00 41.12 37.81 3gbc n ASP 40 CO 0.00 0.00 0.00 -0.31 0.13 0.00 0.00 177.20 177.02 3gbc s TYR 41 N -3.15 1.84 0.30 1.24 2.02 -1.26 -4.91 117.35 113.43 3gbc s TYR 41 Ca 0.08 -1.36 0.06 0.00 -0.37 0.00 0.00 57.07 55.49 3gbc s TYR 41 Cb -0.04 -1.36 0.79 0.00 -0.40 0.00 0.00 41.96 40.96 3gbc s TYR 41 CO 0.32 -0.70 1.72 0.45 -1.57 0.00 0.00 175.55 175.77 3gbc h HIS 42 N 8.08 0.84 -3.31 2.71 3.86 -1.57 -3.44 115.15 122.32 3gbc h HIS 42 Ca -0.18 0.04 -0.11 0.00 -1.16 0.00 0.00 60.37 58.95 3gbc h HIS 42 Cb 1.09 -0.22 -0.19 0.00 1.06 0.00 0.00 27.41 29.15 3gbc h HIS 42 CO 0.42 0.02 -0.34 -1.01 0.86 0.00 0.00 177.93 177.89 3gbc s HIS 43 N -5.84 -0.06 -0.13 2.45 3.76 -1.12 -4.94 115.29 109.41 3gbc s HIS 43 Ca -0.11 -0.01 0.01 0.00 -0.15 0.00 0.00 55.06 54.79 3gbc s HIS 43 Cb 0.26 0.04 0.02 0.00 1.11 0.00 0.00 32.58 34.01 3gbc s HIS 43 CO 0.79 -0.41 -0.14 0.08 -0.85 0.00 0.00 174.74 174.21 3gbc s VAL 44 N -1.94 1.50 0.31 -0.90 1.01 -1.26 -0.91 120.40 118.21 3gbc s VAL 44 Ca -0.10 -0.61 0.04 0.00 0.00 0.00 0.00 61.98 61.31 3gbc s VAL 44 Cb -0.04 -1.40 -0.06 0.00 0.00 0.00 0.00 36.38 34.88 3gbc s VAL 44 CO 0.00 0.44 0.04 0.68 0.00 0.00 0.00 175.10 176.26 3gbc s VAL 45 N 1.28 1.22 0.06 2.92 -7.23 -0.98 0.13 120.40 117.79 3gbc s VAL 45 Ca -0.00 -2.02 0.03 0.00 -1.81 0.00 0.00 61.98 58.18 3gbc s VAL 45 Cb -0.14 -2.70 -0.03 0.00 0.56 0.00 0.00 36.38 34.08 3gbc s VAL 45 CO -0.06 -0.08 -0.10 0.00 -0.31 0.00 0.00 175.10 174.55 3gbc s ALA 46 N -3.28 0.84 0.33 1.32 0.00 -0.37 -1.83 121.76 118.77 3gbc s ALA 46 Ca 0.35 -0.89 0.07 0.00 0.00 0.00 0.00 51.96 51.49 3gbc s ALA 46 Cb 0.08 -0.01 -0.02 0.00 0.00 0.00 0.00 23.12 23.17 3gbc s ALA 46 CO 0.14 0.05 0.37 0.95 0.00 0.00 0.00 175.76 177.27 3gbc s THR 47 N -1.42 3.88 -0.15 0.00 -4.23 -0.90 0.65 115.64 113.46 3gbc s THR 47 Ca -0.06 -1.20 -0.09 0.00 -1.18 0.00 0.00 61.69 59.16 3gbc s THR 47 Cb -0.09 -3.32 0.05 0.00 1.34 0.00 0.00 72.50 70.48 3gbc s THR 47 CO 0.01 -0.18 0.36 -0.54 -0.54 0.00 0.00 174.62 173.73 3gbc s LYS 48 N -4.06 0.36 0.27 3.99 1.02 -0.05 -2.89 119.74 118.38 3gbc s LYS 48 Ca 0.42 0.66 -0.30 0.00 0.02 0.00 0.00 55.97 56.77 3gbc s LYS 48 Cb -0.08 0.01 -0.13 0.00 -0.52 0.00 0.00 37.83 37.12 3gbc s LYS 48 CO 0.29 -0.13 1.34 -3.47 -0.92 0.00 0.00 175.35 172.46 3gbc n ASP 49 N 3.89 2.65 -3.17 2.83 2.03 -1.26 -2.02 116.55 121.50 3gbc n ASP 49 Ca -0.21 1.17 0.02 0.00 0.52 0.00 0.00 54.79 56.29 3gbc n ASP 49 Cb 0.55 -1.44 -0.01 0.00 -0.72 0.00 0.00 41.12 39.51 3gbc n ASP 49 CO 0.00 0.00 0.00 0.12 -1.92 0.00 0.00 177.20 175.40 3gbc s PHE 50 N -0.45 -1.76 -0.11 -0.67 5.36 -0.44 -4.87 117.98 115.04 3gbc s PHE 50 Ca 0.64 0.96 -0.02 0.00 -0.96 0.00 0.00 56.93 57.55 3gbc s PHE 50 Cb -0.63 0.26 -0.03 0.00 -0.34 0.00 0.00 43.02 42.28 3gbc s PHE 50 CO 0.54 -1.08 -0.01 -1.01 -1.46 0.00 0.00 175.22 172.20 3gbc s HIS 51 N 2.76 3.10 0.02 10.12 3.76 -0.73 -1.79 115.29 132.54 3gbc s HIS 51 Ca 0.10 0.04 -0.03 0.00 -0.15 0.00 0.00 55.06 55.03 3gbc s HIS 51 Cb -0.10 -1.84 -0.01 0.00 1.11 0.00 0.00 32.58 31.74 3gbc s HIS 51 CO -0.26 0.30 -0.05 -0.89 -0.85 0.00 0.00 174.74 172.99 3gbc n ILE 52 N 2.60 0.75 -3.72 0.60 5.41 0.23 -1.68 119.36 123.55 3gbc n ILE 52 Ca -0.18 0.25 -0.29 0.00 1.00 0.00 0.00 62.75 63.53 3gbc n ILE 52 Cb 0.53 -1.50 -0.16 0.00 -0.71 0.00 0.00 39.64 37.81 3gbc n ILE 52 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 176.55 175.93 3gbc s ASP 53 N -5.46 3.59 -0.09 4.38 2.15 -0.47 -4.92 116.67 115.85 3gbc s ASP 53 Ca -0.04 -1.30 0.18 0.00 0.43 0.00 0.00 52.55 51.81 3gbc s ASP 53 Cb 0.01 -0.73 0.67 0.00 -0.30 0.00 0.00 42.92 42.57 3gbc s ASP 53 CO 0.06 -0.37 1.57 -0.81 -0.17 0.00 0.00 175.17 175.44 3gbc n PRO 54 N 4.96 3.41 0.00 4.34 -0.04 -1.25 -3.68 135.00 142.74 3gbc n PRO 54 Ca -0.05 -2.65 0.00 0.00 -0.04 0.00 0.00 63.50 60.76 3gbc n PRO 54 Cb 0.44 -1.81 0.00 0.00 -0.04 0.00 0.00 33.50 32.09 3gbc n PRO 54 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3gbc n GLY 55 N 1.18 2.11 0.31 0.55 0.00 -1.26 -2.64 105.19 105.43 3gbc n GLY 55 Ca 0.24 -0.54 0.13 0.00 0.00 0.00 0.00 46.02 45.85 3gbc n GLY 55 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 3gbc h ASP 56 N 8.71 0.00 -0.94 1.61 5.19 -1.97 -2.71 116.42 126.31 3gbc h ASP 56 Ca 0.00 0.00 0.27 0.00 -0.62 0.00 0.00 57.03 56.68 3gbc h ASP 56 Cb 0.00 0.00 -0.04 0.00 0.18 0.00 0.00 39.33 39.47 3gbc h ASP 56 CO 0.00 0.00 0.75 -0.74 -3.12 0.00 0.00 179.24 176.13 3gbc h HIS 57 N 0.00 0.00 -3.98 4.55 2.76 -1.74 -3.41 115.15 113.33 3gbc h HIS 57 Ca 0.00 0.00 -0.69 0.00 -2.20 0.00 0.00 60.37 57.48 3gbc h HIS 57 Cb 0.74 0.00 -0.22 0.00 1.55 0.00 0.00 27.41 29.48 3gbc h HIS 57 CO 0.00 0.00 -0.80 -0.06 -1.30 0.00 0.00 177.93 175.77 3gbc s PHE 58 N -4.85 2.59 0.03 5.26 0.08 -1.02 -0.99 117.98 119.08 3gbc s PHE 58 Ca -0.05 -0.24 -0.12 0.00 0.12 0.00 0.00 56.93 56.65 3gbc s PHE 58 Cb 0.20 -1.50 0.01 0.00 -0.57 0.00 0.00 43.02 41.17 3gbc s PHE 58 CO 0.72 0.24 0.25 0.45 -0.10 0.00 0.00 175.22 176.78 3gbc s SER 59 N -1.31 -0.06 0.48 1.36 0.15 -0.72 -4.79 113.70 108.82 3gbc s SER 59 Ca 0.14 -0.23 0.28 0.00 0.70 0.00 0.00 55.95 56.84 3gbc s SER 59 Cb -0.11 0.31 0.92 0.00 -1.71 0.00 0.00 66.02 65.43 3gbc s SER 59 CO 0.05 -0.55 1.82 1.23 1.20 0.00 0.00 173.24 176.98 3gbc h GLY 60 N 3.48 0.00 -4.78 9.45 0.00 -1.99 -3.35 103.07 105.87 3gbc h GLY 60 Ca -0.32 0.00 -0.58 0.00 0.00 0.00 0.00 47.33 46.43 3gbc h GLY 60 CO 0.46 0.00 -0.73 -1.30 0.00 0.00 0.00 176.54 174.97 3gbc n THR 61 N -3.16 2.50 -1.95 4.70 -2.24 -1.26 -5.08 114.28 107.79 3gbc n THR 61 Ca 0.02 -5.06 -0.39 0.00 -2.27 0.00 0.00 64.05 56.34 3gbc n THR 61 Cb 0.42 -1.23 0.01 0.00 -2.10 0.00 0.00 70.33 67.42 3gbc n THR 61 CO 0.00 0.00 0.00 -2.16 -0.57 0.00 0.00 175.07 172.34 3gbc s PRO 62 N -3.49 3.72 -0.19 -0.78 0.04 -1.26 -4.94 135.00 128.10 3gbc s PRO 62 Ca 0.48 2.21 0.12 0.00 0.04 0.00 0.00 61.00 63.85 3gbc s PRO 62 Cb 0.37 -2.60 0.68 0.00 0.04 0.00 0.00 34.50 32.98 3gbc s PRO 62 CO -0.17 -0.72 1.54 -0.40 0.04 0.00 0.00 177.00 177.29 3gbc n ASP 63 N -0.23 4.87 -1.39 6.66 5.68 -1.14 -4.93 116.55 126.06 3gbc n ASP 63 Ca 0.06 -2.73 -0.03 0.00 -0.50 0.00 0.00 54.79 51.58 3gbc n ASP 63 Cb 0.44 -0.64 -0.01 0.00 -1.14 0.00 0.00 41.12 39.77 3gbc n ASP 63 CO 0.00 0.00 0.00 -1.22 -1.33 0.00 0.00 177.20 174.65 3gbc n TYR 64 N 0.56 -0.41 0.00 2.11 4.01 -0.51 -4.43 117.16 118.50 3gbc n TYR 64 Ca 0.23 0.05 0.00 0.00 -0.16 0.00 0.00 57.90 58.02 3gbc n TYR 64 Cb 1.01 -0.30 0.00 0.00 -0.31 0.00 0.00 39.34 39.74 3gbc n TYR 64 CO 0.00 0.00 0.00 0.45 -0.46 0.00 0.00 176.86 176.85 3gbc n SER 65 N -0.22 1.10 0.00 7.72 2.88 -1.26 -4.92 113.62 118.91 3gbc n SER 65 Ca 0.01 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.55 3gbc n SER 65 Cb 0.11 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.57 3gbc n SER 65 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 3gbc n SER 66 N -2.48 0.72 -3.79 -3.46 3.41 -1.26 -5.03 113.62 101.74 3gbc n SER 66 Ca 0.00 -1.01 -0.13 0.00 -0.26 0.00 0.00 58.87 57.47 3gbc n SER 66 Cb 0.30 0.00 -0.13 0.00 -0.26 0.00 0.00 64.21 64.12 3gbc n SER 66 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 3gbc s SER 67 N -0.01 -0.14 0.20 4.04 1.04 -1.26 -4.53 113.70 113.04 3gbc s SER 67 Ca 0.00 0.30 0.09 0.00 0.48 0.00 0.00 55.95 56.82 3gbc s SER 67 Cb 0.00 0.25 -0.04 0.00 0.10 0.00 0.00 66.02 66.33 3gbc s SER 67 CO 0.00 -0.09 -0.17 0.26 0.98 0.00 0.00 173.24 174.21 3gbc s TRP 68 N 0.56 1.86 0.65 5.02 0.52 -0.16 -1.42 118.94 125.97 3gbc s TRP 68 Ca -0.04 -0.48 -0.17 0.00 0.02 0.00 0.00 56.10 55.43 3gbc s TRP 68 Cb -0.06 -0.88 -0.00 0.00 -1.15 0.00 0.00 33.47 31.38 3gbc s TRP 68 CO -0.03 0.40 1.17 -1.25 0.02 0.00 0.00 176.95 177.27 3gbc s PRO 69 N -3.20 2.68 -0.13 4.98 0.04 -1.26 -1.76 135.00 136.36 3gbc s PRO 69 Ca 0.20 1.66 -0.40 0.00 0.04 0.00 0.00 61.00 62.50 3gbc s PRO 69 Cb -0.04 -1.91 -0.18 0.00 0.04 0.00 0.00 34.50 32.41 3gbc s PRO 69 CO 0.08 -1.39 1.39 -2.30 0.04 0.00 0.00 177.00 174.82 3gbc n PRO 70 N -2.17 0.59 -4.09 0.56 -0.02 -1.26 -4.91 135.00 123.70 3gbc n PRO 70 Ca 0.12 0.21 -0.08 0.00 -2.02 0.00 0.00 63.50 61.74 3gbc n PRO 70 Cb 0.51 -1.79 -0.10 0.00 -0.02 0.00 0.00 33.50 32.09 3gbc n PRO 70 CO 0.00 0.00 0.00 -3.38 1.98 0.00 0.00 175.50 174.10 3gbc s HIS 71 N 1.46 0.57 -1.61 6.00 -3.43 -1.26 -4.84 115.29 112.18 3gbc s HIS 71 Ca 0.93 -1.09 -0.09 0.00 -0.80 0.00 0.00 55.06 54.01 3gbc s HIS 71 Cb -1.18 -0.40 0.08 0.00 -1.43 0.00 0.00 32.58 29.66 3gbc s HIS 71 CO 0.61 -0.41 0.43 0.00 -2.00 0.00 0.00 174.74 173.36 3gbc s VAL 73 N -3.78 4.00 0.19 0.00 1.01 -1.26 -1.77 120.40 118.78 3gbc s VAL 73 Ca 0.34 2.02 -0.31 0.00 0.00 0.00 0.00 61.98 64.03 3gbc s VAL 73 Cb -0.19 -4.28 -0.10 0.00 0.00 0.00 0.00 36.38 31.81 3gbc s VAL 73 CO 0.96 0.48 1.49 -0.94 0.00 0.00 0.00 175.10 177.08 3gbc s SER 74 N -1.15 6.65 0.00 3.32 1.04 -0.67 -1.46 113.70 121.42 3gbc s SER 74 Ca 0.42 2.58 0.00 0.00 0.48 0.00 0.00 55.95 59.43 3gbc s SER 74 Cb -0.27 -2.60 0.00 0.00 0.10 0.00 0.00 66.02 63.25 3gbc s SER 74 CO 0.33 -0.75 0.00 0.61 0.98 0.00 0.00 173.24 174.41 3gbc n GLY 75 N 3.17 0.64 3.98 7.32 0.00 -1.26 -5.06 105.19 113.97 3gbc n GLY 75 Ca 0.11 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.93 3gbc n GLY 75 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3gbc s THR 76 N -2.60 4.79 0.39 2.61 -4.23 -0.54 -5.07 115.64 110.99 3gbc s THR 76 Ca 0.00 -0.97 0.06 0.00 -1.18 0.00 0.00 61.69 59.60 3gbc s THR 76 Cb 0.00 -3.68 0.22 0.00 1.34 0.00 0.00 72.50 70.38 3gbc s THR 76 CO 0.00 -0.27 1.99 -0.65 -0.54 0.00 0.00 174.62 175.15 3gbc h PRO 77 N 1.04 0.51 -0.85 3.99 0.11 -1.97 -2.92 132.00 131.91 3gbc h PRO 77 Ca -0.49 -0.06 0.35 0.00 0.11 0.00 0.00 66.00 65.91 3gbc h PRO 77 Cb 1.24 -0.10 -0.15 0.00 0.11 0.00 0.00 31.00 32.10 3gbc h PRO 77 CO 0.58 0.42 0.43 0.41 -0.21 0.00 0.00 178.00 179.63 3gbc n GLY 78 N -1.24 -0.67 0.05 -0.55 0.00 -1.26 -1.55 105.19 99.96 3gbc n GLY 78 Ca 0.02 0.70 0.12 0.00 0.00 0.00 0.00 46.02 46.86 3gbc n GLY 78 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3gbc n ALA 79 N -2.42 3.06 -1.96 4.61 0.00 -1.10 -1.86 120.51 120.84 3gbc n ALA 79 Ca 0.31 -0.27 -0.30 0.00 0.00 0.00 0.00 53.44 53.19 3gbc n ALA 79 Cb 1.07 -1.16 0.02 0.00 0.00 0.00 0.00 19.45 19.38 3gbc n ALA 79 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 3gbc s ASP 80 N -3.90 5.87 0.26 0.00 1.01 -0.60 -4.79 116.67 114.53 3gbc s ASP 80 Ca 0.07 1.15 -0.30 0.00 0.71 0.00 0.00 52.55 54.18 3gbc s ASP 80 Cb 0.15 -2.14 -0.13 0.00 1.01 0.00 0.00 42.92 41.80 3gbc s ASP 80 CO 0.71 -1.02 1.30 0.49 0.21 0.00 0.00 175.17 176.87 3gbc n PHE 81 N -2.75 1.99 -1.65 4.23 3.72 -1.26 -1.27 117.46 120.47 3gbc n PHE 81 Ca 0.05 0.52 -0.41 0.00 -0.05 0.00 0.00 57.45 57.56 3gbc n PHE 81 Cb 0.56 -2.40 0.01 0.00 -0.94 0.00 0.00 39.48 36.70 3gbc n PHE 81 CO 0.00 0.00 0.00 1.58 -0.05 0.00 0.00 176.76 178.29 3gbc n HIS 82 N 1.28 1.62 0.23 1.38 -0.00 -0.85 -4.60 115.22 114.29 3gbc n HIS 82 Ca 0.10 0.54 0.11 0.00 -0.00 0.00 0.00 57.72 58.48 3gbc n HIS 82 Cb 0.32 -2.30 0.46 0.00 -0.00 0.00 0.00 29.99 28.47 3gbc n HIS 82 CO 0.00 0.00 0.00 -1.35 -0.00 0.00 0.00 176.34 174.99 3gbc h PRO 83 N 1.82 0.00 0.00 1.57 0.10 -1.93 -3.39 132.00 130.17 3gbc h PRO 83 Ca -0.46 0.00 0.00 0.00 0.10 0.00 0.00 66.00 65.64 3gbc h PRO 83 Cb 1.32 0.00 0.00 0.00 0.10 0.00 0.00 31.00 32.42 3gbc h PRO 83 CO 0.58 0.16 0.00 0.43 0.10 0.00 0.00 178.00 179.28 3gbc n SER 84 N -3.28 -1.36 -2.00 -2.05 7.64 -1.26 -4.76 113.62 106.55 3gbc n SER 84 Ca 0.01 0.00 -0.01 0.00 1.01 0.00 0.00 58.87 59.88 3gbc n SER 84 Cb 0.43 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.63 3gbc n SER 84 CO 0.00 0.00 0.00 -0.11 -3.01 0.00 0.00 175.04 171.92 3gbc n LEU 85 N 0.00 -4.40 -4.65 -3.43 7.94 -1.18 -4.89 117.00 106.39 3gbc n LEU 85 Ca 0.00 0.44 -0.47 0.00 -1.11 0.00 0.00 56.01 54.87 3gbc n LEU 85 Cb 0.00 -1.95 -0.05 0.00 0.53 0.00 0.00 43.42 41.96 3gbc n LEU 85 CO 0.00 -1.16 1.14 0.47 -1.11 0.00 0.00 177.39 176.73 3gbc n ASP 86 N 0.02 2.81 -0.10 1.96 8.00 -1.26 -4.91 116.55 123.07 3gbc n ASP 86 Ca 0.02 1.09 -0.13 0.00 0.71 0.00 0.00 54.79 56.48 3gbc n ASP 86 Cb 0.07 -1.38 -0.10 0.00 -0.02 0.00 0.00 41.12 39.69 3gbc n ASP 86 CO 0.00 0.00 0.00 1.07 -0.39 0.00 0.00 177.20 177.88 3gbc n THR 87 N 3.26 1.14 0.00 -3.53 5.66 -1.26 -4.48 114.28 115.06 3gbc n THR 87 Ca 0.17 -0.49 0.00 0.00 -3.05 0.00 0.00 64.05 60.68 3gbc n THR 87 Cb 0.27 -1.08 0.00 0.00 -1.55 0.00 0.00 70.33 67.97 3gbc n THR 87 CO 0.00 0.00 0.00 -1.20 -3.05 0.00 0.00 175.07 170.82 3gbc n SER 88 N -2.98 0.00 -0.10 1.09 7.64 -1.26 -0.15 113.62 117.86 3gbc n SER 88 Ca -0.34 0.00 0.14 0.00 1.01 0.00 0.00 58.87 59.68 3gbc n SER 88 Cb 0.91 0.00 0.52 0.00 -1.01 0.00 0.00 64.21 64.63 3gbc n SER 88 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3gbc n ALA 89 N -0.62 2.88 -2.61 -0.43 0.00 -1.26 -4.85 120.51 113.61 3gbc n ALA 89 Ca 0.00 -0.28 -0.39 0.00 0.00 0.00 0.00 53.44 52.77 3gbc n ALA 89 Cb 0.00 -1.29 -0.09 0.00 0.00 0.00 0.00 19.45 18.08 3gbc n ALA 89 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 3gbc s ILE 90 N -2.63 5.14 -0.03 0.00 1.01 0.78 -4.61 121.20 120.87 3gbc s ILE 90 Ca 0.23 0.67 -0.04 0.00 0.00 0.00 0.00 60.65 61.51 3gbc s ILE 90 Cb 0.19 -3.74 -0.28 0.00 0.01 0.00 0.00 42.46 38.65 3gbc s ILE 90 CO 0.52 0.14 0.73 -0.33 0.00 0.00 0.00 174.94 176.00 3gbc h GLU 91 N 8.10 0.27 -3.11 2.79 5.08 0.76 -3.46 114.58 125.01 3gbc h GLU 91 Ca -0.31 -0.46 -0.13 0.00 -1.00 0.00 0.00 59.36 57.46 3gbc h GLU 91 Cb 1.16 0.17 -0.22 0.00 0.50 0.00 0.00 28.75 30.36 3gbc h GLU 91 CO 0.67 1.13 -0.35 0.00 -1.00 0.00 0.00 179.01 179.46 3gbc s ALA 92 N -2.60 -0.69 -0.16 3.43 0.00 -1.25 -5.05 121.76 115.45 3gbc s ALA 92 Ca -0.12 0.43 -0.16 0.00 0.00 0.00 0.00 51.96 52.11 3gbc s ALA 92 Cb 0.07 -0.12 -0.04 0.00 0.00 0.00 0.00 23.12 23.02 3gbc s ALA 92 CO 0.84 -0.21 0.40 0.08 0.00 0.00 0.00 175.76 176.87 3gbc s VAL 93 N -0.80 5.22 -0.34 0.00 1.01 -1.26 -1.23 120.40 123.01 3gbc s VAL 93 Ca -0.09 0.76 -0.02 0.00 0.00 0.00 0.00 61.98 62.62 3gbc s VAL 93 Cb -0.04 -3.74 0.07 0.00 0.00 0.00 0.00 36.38 32.67 3gbc s VAL 93 CO 0.02 0.32 0.07 -0.36 0.00 0.00 0.00 175.10 175.15 3gbc s PHE 94 N 0.83 3.37 0.25 5.22 0.40 0.21 -4.12 117.98 124.14 3gbc s PHE 94 Ca 0.21 -2.02 -0.11 0.00 -0.60 0.00 0.00 56.93 54.41 3gbc s PHE 94 Cb -0.14 -2.48 -0.08 0.00 0.51 0.00 0.00 43.02 40.83 3gbc s PHE 94 CO 0.08 -0.85 0.59 0.71 0.70 0.00 0.00 175.22 176.44 3gbc s TYR 95 N 1.22 3.42 0.22 0.36 1.51 -0.20 -0.87 117.35 123.02 3gbc s TYR 95 Ca -0.00 0.96 -0.00 0.00 -1.01 0.00 0.00 57.07 57.01 3gbc s TYR 95 Cb -0.21 -2.32 -0.04 0.00 -0.11 0.00 0.00 41.96 39.28 3gbc s TYR 95 CO -0.02 0.24 0.12 -1.59 -1.11 0.00 0.00 175.55 173.19 3gbc s LYS 96 N -2.81 1.28 0.00 -0.62 -2.85 -0.86 0.12 119.74 114.00 3gbc s LYS 96 Ca 0.48 -1.68 0.00 0.00 -1.00 0.00 0.00 55.97 53.77 3gbc s LYS 96 Cb -0.11 0.08 0.00 0.00 -2.06 0.00 0.00 37.83 35.74 3gbc s LYS 96 CO 0.20 -0.36 0.00 0.41 0.10 0.00 0.00 175.35 175.70 3gbc n GLY 97 N -0.34 0.55 0.44 0.59 0.00 -1.26 -1.33 105.19 103.84 3gbc n GLY 97 Ca 0.01 -0.67 -0.13 0.00 0.00 0.00 0.00 46.02 45.24 3gbc n GLY 97 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3gbc h ALA 98 N 0.00 -0.68 0.00 4.61 0.00 -1.72 -3.19 119.26 118.29 3gbc h ALA 98 Ca 0.00 0.05 -0.01 0.00 0.00 0.00 0.00 54.91 54.95 3gbc h ALA 98 Cb 0.00 1.23 -0.03 0.00 0.00 0.00 0.00 17.79 19.00 3gbc h ALA 98 CO 0.00 -1.02 -0.29 0.66 0.00 0.00 0.00 179.25 178.60 3gbc n TYR 99 N -5.32 0.00 -3.60 0.00 4.02 -1.24 0.74 117.16 111.75 3gbc n TYR 99 Ca -0.01 -1.06 -0.15 0.00 -0.01 0.00 0.00 57.90 56.66 3gbc n TYR 99 Cb 0.31 -0.18 -0.07 0.00 -0.02 0.00 0.00 39.34 39.38 3gbc n TYR 99 CO 0.00 0.00 0.00 -0.08 -1.01 0.00 0.00 176.86 175.77 3gbc s THR 100 N -2.58 0.00 -0.28 -0.72 -1.32 -1.20 -4.43 115.64 105.11 3gbc s THR 100 Ca 0.32 -0.00 -0.40 0.00 -1.21 0.00 0.00 61.69 60.39 3gbc s THR 100 Cb 0.30 -0.99 -0.15 0.00 -1.51 0.00 0.00 72.50 70.15 3gbc s THR 100 CO -0.02 -0.00 1.77 0.61 -2.21 0.00 0.00 174.62 174.77 3gbc n GLY 101 N 2.18 0.88 3.68 6.08 0.00 -1.26 -4.16 105.19 112.59 3gbc n GLY 101 Ca -0.15 0.93 -0.35 0.00 0.00 0.00 0.00 46.02 46.45 3gbc n GLY 101 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3gbc s ALA 102 N 3.73 3.30 -0.11 4.61 0.00 -1.26 -4.93 121.76 127.10 3gbc s ALA 102 Ca 0.99 -0.80 0.17 0.00 0.00 0.00 0.00 51.96 52.32 3gbc s ALA 102 Cb -1.05 -1.53 -0.25 0.00 0.00 0.00 0.00 23.12 20.29 3gbc s ALA 102 CO 0.65 0.54 0.21 0.66 0.00 0.00 0.00 175.76 177.81 3gbc n TYR 103 N 2.31 0.00 -3.96 0.00 4.01 -1.26 -5.04 117.16 113.22 3gbc n TYR 103 Ca -0.18 0.00 -0.15 0.00 -0.16 0.00 0.00 57.90 57.41 3gbc n TYR 103 Cb 0.54 -0.67 -0.15 0.00 -0.31 0.00 0.00 39.34 38.74 3gbc n TYR 103 CO 0.00 0.00 0.00 0.45 -0.46 0.00 0.00 176.86 176.85 3gbc s SER 104 N -4.72 0.30 0.60 7.72 0.15 -1.26 -4.57 113.70 111.91 3gbc s SER 104 Ca -0.08 -0.03 0.29 0.00 0.70 0.00 0.00 55.95 56.83 3gbc s SER 104 Cb 0.08 -0.09 1.36 0.00 -1.71 0.00 0.00 66.02 65.66 3gbc s SER 104 CO 0.74 -0.02 1.75 1.23 1.20 0.00 0.00 173.24 178.14 3gbc h GLY 105 N 6.52 0.00 -1.09 9.45 0.00 -1.91 -0.28 103.07 115.76 3gbc h GLY 105 Ca -0.32 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.01 3gbc h GLY 105 CO 0.50 0.00 0.00 0.69 0.00 0.00 0.00 176.54 177.73 3gbc n PHE 106 N -3.58 0.19 0.84 5.60 3.72 -1.26 -1.02 117.46 121.95 3gbc n PHE 106 Ca 0.12 -0.07 0.10 0.00 -0.05 0.00 0.00 57.45 57.55 3gbc n PHE 106 Cb 0.89 -0.12 0.07 0.00 -0.94 0.00 0.00 39.48 39.38 3gbc n PHE 106 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 176.76 177.10 3gbc n GLU 107 N 0.00 1.74 -3.00 -1.08 1.02 -0.12 -4.85 120.64 114.35 3gbc n GLU 107 Ca 0.03 -1.54 -0.35 0.00 -0.02 0.00 0.00 57.16 55.28 3gbc n GLU 107 Cb 0.30 -1.38 -0.06 0.00 -0.02 0.00 0.00 31.44 30.27 3gbc n GLU 107 CO 0.00 0.00 0.00 0.20 1.18 0.00 0.00 177.13 178.51 3gbc s GLY 108 N -1.78 2.56 0.04 0.62 0.00 -0.19 -4.75 107.32 103.82 3gbc s GLY 108 Ca 0.22 0.24 0.07 0.00 0.00 0.00 0.00 44.72 45.25 3gbc s GLY 108 CO 0.30 0.58 -0.19 -1.34 0.00 0.00 0.00 173.10 172.45 3gbc s VAL 109 N -1.73 1.53 0.88 1.40 -7.23 0.12 -2.37 120.40 112.99 3gbc s VAL 109 Ca 0.50 -1.13 -0.14 0.00 -1.81 0.00 0.00 61.98 59.40 3gbc s VAL 109 Cb -0.15 -1.34 0.20 0.00 0.56 0.00 0.00 36.38 35.66 3gbc s VAL 109 CO 0.20 0.18 1.19 -0.90 -0.31 0.00 0.00 175.10 175.46 3gbc n ASP 110 N 1.91 0.21 0.22 4.85 5.75 -0.78 -1.03 116.55 127.68 3gbc n ASP 110 Ca -0.17 -1.51 0.07 0.00 -0.01 0.00 0.00 54.79 53.18 3gbc n ASP 110 Cb 0.54 -0.90 0.51 0.00 -1.03 0.00 0.00 41.12 40.23 3gbc n ASP 110 CO 0.00 0.00 0.00 1.05 -0.11 0.00 0.00 177.20 178.14 3gbc h GLU 111 N 0.00 0.00 0.00 0.11 4.11 -1.91 -3.36 114.58 113.53 3gbc h GLU 111 Ca -0.39 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.04 3gbc h GLU 111 Cb 1.09 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.34 3gbc h GLU 111 CO 0.28 0.25 0.00 0.09 0.07 0.00 0.00 179.01 179.71 3gbc n ASN 112 N -3.82 0.00 0.23 3.06 5.03 -1.26 -4.95 115.26 113.55 3gbc n ASN 112 Ca -0.02 0.00 0.16 0.00 0.87 0.00 0.00 54.58 55.59 3gbc n ASN 112 Cb 0.35 0.00 0.82 0.00 -1.02 0.00 0.00 39.78 39.92 3gbc n ASN 112 CO 0.00 0.00 0.00 1.23 -1.83 0.00 0.00 177.26 176.66 3gbc h GLY 113 N 0.00 0.00 -7.56 7.41 0.00 -2.00 -3.48 103.07 97.43 3gbc h GLY 113 Ca 0.00 0.00 -0.70 0.00 0.00 0.00 0.00 47.33 46.63 3gbc h GLY 113 CO 0.00 0.00 -0.48 -1.59 0.00 0.00 0.00 176.54 174.47 3gbc s THR 114 N -3.75 4.95 0.74 4.70 2.01 -1.26 -4.74 115.64 118.30 3gbc s THR 114 Ca -0.02 -0.64 -0.15 0.00 0.31 0.00 0.00 61.69 61.18 3gbc s THR 114 Cb 0.09 -3.70 0.01 0.00 0.01 0.00 0.00 72.50 68.91 3gbc s THR 114 CO 0.33 -0.20 0.93 -2.65 -0.69 0.00 0.00 174.62 172.34 3gbc n PRO 115 N 5.08 0.42 0.10 4.92 -0.02 -1.26 -1.87 135.00 142.36 3gbc n PRO 115 Ca -0.12 0.20 -0.13 0.00 -2.02 0.00 0.00 63.50 61.43 3gbc n PRO 115 Cb 0.47 -2.19 -0.08 0.00 -0.02 0.00 0.00 33.50 31.68 3gbc n PRO 115 CO 0.00 0.00 0.00 1.25 1.98 0.00 0.00 175.50 178.73 3gbc h LEU 116 N -0.39 -0.15 -0.73 2.45 5.85 -1.77 -2.24 115.31 118.32 3gbc h LEU 116 Ca -0.47 -0.05 0.03 0.00 0.84 0.00 0.00 57.88 58.24 3gbc h LEU 116 Cb 1.33 0.04 -0.05 0.00 0.37 0.00 0.00 40.66 42.35 3gbc h LEU 116 CO 0.46 -0.05 0.46 0.25 -0.34 0.00 0.00 178.44 179.22 3gbc h LEU 117 N -0.23 0.76 -0.19 2.25 5.85 -1.91 -1.80 115.31 120.04 3gbc h LEU 117 Ca -0.02 -0.00 0.03 0.00 0.84 0.00 0.00 57.88 58.73 3gbc h LEU 117 Cb 0.18 -0.17 -0.03 0.00 0.37 0.00 0.00 40.66 41.02 3gbc h LEU 117 CO 0.03 0.53 -0.02 0.78 -0.34 0.00 0.00 178.44 179.41 3gbc h ASN 118 N 0.91 -0.13 -0.28 1.25 2.35 -1.89 -2.07 115.58 115.71 3gbc h ASN 118 Ca 0.29 0.05 -0.00 0.00 -0.55 0.00 0.00 56.30 56.09 3gbc h ASN 118 Cb 0.01 0.10 -0.02 0.00 0.05 0.00 0.00 38.32 38.47 3gbc h ASN 118 CO -0.11 -0.04 0.17 -0.25 -1.65 0.00 0.00 177.43 175.56 3gbc h TRP 119 N 0.03 0.38 -0.03 1.19 7.01 -0.78 -2.61 115.95 121.15 3gbc h TRP 119 Ca 0.09 0.00 -0.12 0.00 2.11 0.00 0.00 58.89 60.97 3gbc h TRP 119 Cb 0.12 -0.13 0.01 0.00 -2.10 0.00 0.00 29.16 27.06 3gbc h TRP 119 CO -0.19 0.26 -0.46 -0.07 -2.79 0.00 0.00 178.44 175.19 3gbc h LEU 120 N 0.41 0.45 -2.16 0.65 3.38 -0.73 -3.19 115.31 114.12 3gbc h LEU 120 Ca 0.11 -0.73 -0.01 0.00 0.09 0.00 0.00 57.88 57.34 3gbc h LEU 120 Cb -0.01 -0.14 -0.00 0.00 0.09 0.00 0.00 40.66 40.61 3gbc h LEU 120 CO -0.02 1.12 -0.04 0.03 0.09 0.00 0.00 178.44 179.62 3gbc h ARG 121 N -0.17 0.00 0.00 1.13 2.47 -1.19 0.60 114.38 117.21 3gbc h ARG 121 Ca -0.05 0.00 -0.12 0.00 -1.26 0.00 0.00 59.98 58.55 3gbc h ARG 121 Cb 1.17 0.00 -0.02 0.00 -1.65 0.00 0.00 29.97 29.47 3gbc h ARG 121 CO 0.09 0.04 -0.74 1.96 0.56 0.00 0.00 179.97 181.88 3gbc h GLN 122 N 0.00 0.00 -0.41 0.04 4.20 -1.46 -2.93 115.11 114.56 3gbc h GLN 122 Ca -0.00 0.00 -0.08 0.00 0.06 0.00 0.00 58.65 58.63 3gbc h GLN 122 Cb 0.27 0.00 -0.05 0.00 0.30 0.00 0.00 27.48 28.01 3gbc h GLN 122 CO 0.00 0.46 0.05 0.54 -0.67 0.00 0.00 178.83 179.22 3gbc n ARG 123 N -3.14 3.11 -0.52 1.46 1.74 -1.19 -4.97 116.66 113.15 3gbc n ARG 123 Ca -0.01 -2.99 0.00 0.00 -0.77 0.00 0.00 57.85 54.09 3gbc n ARG 123 Cb 0.76 -1.96 0.00 0.00 -1.02 0.00 0.00 32.46 30.24 3gbc n ARG 123 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3gbc n GLY 124 N -0.43 0.75 3.69 -0.13 0.00 -0.93 -4.42 105.19 103.72 3gbc n GLY 124 Ca 0.28 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.85 3gbc n GLY 124 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 3gbc n VAL 125 N -2.18 0.05 -0.01 1.61 0.31 0.16 -4.32 118.33 113.94 3gbc n VAL 125 Ca 0.00 -0.01 0.00 0.00 -0.01 0.00 0.00 64.34 64.32 3gbc n VAL 125 Cb 0.00 -1.68 0.00 0.00 -0.91 0.00 0.00 33.84 31.25 3gbc n VAL 125 CO 0.00 0.00 0.00 -0.67 -1.32 0.00 0.00 176.83 174.84 3gbc n ASP 126 N 3.52 0.02 -3.66 4.52 -0.08 -0.88 -4.43 116.55 115.55 3gbc n ASP 126 Ca 0.16 -0.30 -0.14 0.00 -1.51 0.00 0.00 54.79 53.00 3gbc n ASP 126 Cb 0.31 0.54 -0.08 0.00 2.34 0.00 0.00 41.12 44.23 3gbc n ASP 126 CO 0.00 0.00 0.00 -1.83 0.12 0.00 0.00 177.20 175.49 3gbc s GLU 127 N -0.54 0.72 0.02 -0.67 -1.05 -1.01 -2.71 118.70 113.46 3gbc s GLU 127 Ca 0.00 0.65 0.03 0.00 -0.15 0.00 0.00 54.97 55.50 3gbc s GLU 127 Cb 0.00 0.35 -0.02 0.00 -0.44 0.00 0.00 34.13 34.02 3gbc s GLU 127 CO 0.00 -0.12 -0.08 0.14 0.95 0.00 0.00 175.26 176.15 3gbc s VAL 128 N -0.01 0.61 -0.07 1.83 -7.23 0.24 -1.19 120.40 114.57 3gbc s VAL 128 Ca -0.02 -0.74 -0.03 0.00 -1.81 0.00 0.00 61.98 59.37 3gbc s VAL 128 Cb -0.04 -0.59 -0.04 0.00 0.56 0.00 0.00 36.38 36.27 3gbc s VAL 128 CO 0.02 -0.11 0.09 -1.81 -0.31 0.00 0.00 175.10 172.98 3gbc s ASP 129 N -0.93 5.87 -0.02 4.85 1.01 -0.18 -1.66 116.67 125.61 3gbc s ASP 129 Ca -0.03 0.28 0.03 0.00 0.71 0.00 0.00 52.55 53.54 3gbc s ASP 129 Cb -0.07 -1.78 -0.03 0.00 1.01 0.00 0.00 42.92 42.06 3gbc s ASP 129 CO 0.00 0.35 -0.10 -0.69 0.21 0.00 0.00 175.17 174.95 3gbc s VAL 130 N -1.05 3.41 0.23 -1.27 1.01 0.32 0.35 120.40 123.40 3gbc s VAL 130 Ca 0.18 -0.74 0.05 0.00 0.00 0.00 0.00 61.98 61.47 3gbc s VAL 130 Cb -0.12 -2.42 -0.02 0.00 0.00 0.00 0.00 36.38 33.82 3gbc s VAL 130 CO 0.07 0.49 0.18 1.33 0.00 0.00 0.00 175.10 177.17 3gbc n VAL 131 N 1.91 0.00 0.00 2.92 0.24 -0.65 -3.12 118.33 119.62 3gbc n VAL 131 Ca -0.17 -1.67 0.00 0.00 -2.04 0.00 0.00 64.34 60.46 3gbc n VAL 131 Cb 0.52 0.81 0.00 0.00 -1.47 0.00 0.00 33.84 33.70 3gbc n VAL 131 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3gbc n GLY 132 N -0.37 0.29 3.10 7.63 0.00 -0.76 -0.83 105.19 114.26 3gbc n GLY 132 Ca 0.04 -1.86 -0.22 0.00 0.00 0.00 0.00 46.02 43.99 3gbc n GLY 132 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3gbc s ILE 133 N 0.00 1.07 0.04 -0.61 1.01 -0.75 -2.01 121.20 119.95 3gbc s ILE 133 Ca 0.00 -0.63 0.03 0.00 0.00 0.00 0.00 60.65 60.04 3gbc s ILE 133 Cb 0.00 -0.90 -0.04 0.00 0.01 0.00 0.00 42.46 41.53 3gbc s ILE 133 CO 0.00 0.26 0.02 0.00 0.00 0.00 0.00 174.94 175.22 3gbc s ALA 134 N -0.39 3.36 0.28 9.38 0.00 -1.26 -4.38 121.76 128.75 3gbc s ALA 134 Ca 0.05 -1.00 -0.01 0.00 0.00 0.00 0.00 51.96 51.00 3gbc s ALA 134 Cb -0.06 -1.33 0.63 0.00 0.00 0.00 0.00 23.12 22.37 3gbc s ALA 134 CO -0.00 0.68 1.63 1.15 0.00 0.00 0.00 175.76 179.22 3gbc h THR 135 N 3.15 0.28 -0.25 0.00 2.02 -1.67 -0.62 112.91 115.83 3gbc h THR 135 Ca -0.48 -0.05 0.00 0.00 0.77 0.00 0.00 66.41 66.65 3gbc h THR 135 Cb 1.17 0.12 0.00 0.00 -1.74 0.00 0.00 68.15 67.70 3gbc h THR 135 CO 0.60 0.03 0.00 -0.90 0.37 0.00 0.00 175.52 175.62 3gbc n ASP 136 N -5.30 1.97 0.00 4.18 5.75 -1.26 -2.58 116.55 119.30 3gbc n ASP 136 Ca 0.19 -1.81 0.00 0.00 -0.01 0.00 0.00 54.79 53.16 3gbc n ASP 136 Cb 0.63 -0.16 0.00 0.00 -1.03 0.00 0.00 41.12 40.56 3gbc n ASP 136 CO 0.00 0.00 0.00 1.41 -0.11 0.00 0.00 177.20 178.50 3gbc n HIS 137 N 0.53 0.00 0.14 2.11 8.25 -0.30 -4.88 115.22 121.08 3gbc n HIS 137 Ca 0.16 0.00 -0.01 0.00 -0.26 0.00 0.00 57.72 57.61 3gbc n HIS 137 Cb 0.36 0.00 0.19 0.00 1.12 0.00 0.00 29.99 31.66 3gbc n HIS 137 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3gbc h VAL 139 N 0.00 1.10 0.15 0.00 2.07 -1.61 -1.99 116.25 115.98 3gbc h VAL 139 Ca -0.01 -0.49 0.01 0.00 0.82 0.00 0.00 66.70 67.03 3gbc h VAL 139 Cb 1.06 1.43 -0.03 0.00 -1.52 0.00 0.00 31.29 32.23 3gbc h VAL 139 CO 0.08 0.12 -0.22 -0.09 0.02 0.00 0.00 177.57 177.48 3gbc h ARG 140 N -0.28 -0.42 -0.77 1.57 2.43 -1.18 -1.11 114.38 114.62 3gbc h ARG 140 Ca -0.01 0.03 0.12 0.00 -0.81 0.00 0.00 59.98 59.31 3gbc h ARG 140 Cb 0.25 0.10 -0.05 0.00 -0.42 0.00 0.00 29.97 29.85 3gbc h ARG 140 CO 0.01 -0.28 0.50 0.37 -1.51 0.00 0.00 179.97 179.06 3gbc h GLN 141 N -0.44 0.58 0.14 0.20 5.75 -1.01 -0.19 115.11 120.14 3gbc h GLN 141 Ca 0.02 -0.04 -0.23 0.00 -0.15 0.00 0.00 58.65 58.25 3gbc h GLN 141 Cb 0.44 -0.13 0.01 0.00 1.07 0.00 0.00 27.48 28.87 3gbc h GLN 141 CO -0.10 0.39 -1.09 1.15 -2.65 0.00 0.00 178.83 176.52 3gbc h THR 142 N 0.60 1.31 -0.08 2.39 2.02 -1.13 -0.15 112.91 117.87 3gbc h THR 142 Ca 0.36 -2.50 0.04 0.00 0.77 0.00 0.00 66.41 65.09 3gbc h THR 142 Cb 0.60 3.00 -0.06 0.00 -1.74 0.00 0.00 68.15 69.95 3gbc h THR 142 CO -0.13 0.72 -0.29 0.00 0.37 0.00 0.00 175.52 176.18 3gbc h ALA 143 N 0.03 -0.36 0.00 6.16 0.00 -1.00 -0.79 119.26 123.30 3gbc h ALA 143 Ca -0.21 0.01 -0.08 0.00 0.00 0.00 0.00 54.91 54.63 3gbc h ALA 143 Cb 1.73 0.54 -0.01 0.00 0.00 0.00 0.00 17.79 20.05 3gbc h ALA 143 CO 0.12 -0.78 -0.36 0.93 0.00 0.00 0.00 179.25 179.16 3gbc h GLU 144 N -0.40 0.00 -0.39 0.00 5.08 -0.99 -2.75 114.58 115.14 3gbc h GLU 144 Ca 0.08 0.00 -0.15 0.00 -1.00 0.00 0.00 59.36 58.29 3gbc h GLU 144 Cb 0.52 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.76 3gbc h GLU 144 CO -0.30 0.36 -0.34 -0.44 -1.00 0.00 0.00 179.01 177.29 3gbc h ASP 145 N 0.00 0.95 -0.92 1.42 3.45 -0.72 -1.60 116.42 119.00 3gbc h ASP 145 Ca -0.00 -0.41 0.22 0.00 0.43 0.00 0.00 57.03 57.27 3gbc h ASP 145 Cb 0.84 -0.27 -0.12 0.00 -0.56 0.00 0.00 39.33 39.23 3gbc h ASP 145 CO 0.05 1.19 0.45 0.00 -1.57 0.00 0.00 179.24 179.36 3gbc h ALA 146 N 0.86 1.51 0.00 3.45 0.00 -0.99 -2.27 119.26 121.82 3gbc h ALA 146 Ca 0.07 0.14 -0.11 0.00 0.00 0.00 0.00 54.91 55.02 3gbc h ALA 146 Cb 0.91 0.10 0.01 0.00 0.00 0.00 0.00 17.79 18.81 3gbc h ALA 146 CO 0.08 -0.30 -0.42 0.28 0.00 0.00 0.00 179.25 178.90 3gbc h VAL 147 N 0.47 1.49 -1.01 0.00 2.07 -1.30 -0.00 116.25 117.97 3gbc h VAL 147 Ca 0.57 -2.03 0.23 0.00 0.82 0.00 0.00 66.70 66.30 3gbc h VAL 147 Cb 1.06 2.71 -0.11 0.00 -1.52 0.00 0.00 31.29 33.43 3gbc h VAL 147 CO -0.50 0.57 0.62 0.03 0.02 0.00 0.00 177.57 178.32 3gbc h ARG 148 N -0.32 0.55 -0.84 1.57 3.08 -1.19 0.94 114.38 118.17 3gbc h ARG 148 Ca -0.05 -0.03 -0.05 0.00 0.07 0.00 0.00 59.98 59.91 3gbc h ARG 148 Cb 1.16 -0.12 -0.03 0.00 0.08 0.00 0.00 29.97 31.06 3gbc h ARG 148 CO 0.08 0.36 0.06 0.09 -1.07 0.00 0.00 179.97 179.50 3gbc n ASN 149 N -4.75 3.32 -0.15 7.04 3.02 -0.87 -4.90 115.26 117.98 3gbc n ASN 149 Ca 0.25 -2.52 -0.02 0.00 -0.03 0.00 0.00 54.58 52.26 3gbc n ASN 149 Cb 0.73 -0.61 -0.01 0.00 -0.61 0.00 0.00 39.78 39.29 3gbc n ASN 149 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3gbc n GLY 150 N 0.18 0.54 3.95 7.41 0.00 0.33 -5.02 105.19 112.58 3gbc n GLY 150 Ca 0.17 -0.35 -0.24 0.00 0.00 0.00 0.00 46.02 45.59 3gbc n GLY 150 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3gbc s LEU 151 N -0.45 4.32 -0.10 0.99 1.43 -0.02 -5.00 118.68 119.86 3gbc s LEU 151 Ca 0.00 0.15 -0.21 0.00 -1.03 0.00 0.00 54.13 53.04 3gbc s LEU 151 Cb 0.00 -2.91 -0.04 0.00 0.03 0.00 0.00 46.19 43.27 3gbc s LEU 151 CO 0.00 0.00 0.61 0.00 0.23 0.00 0.00 176.35 177.19 3gbc s ALA 152 N -1.84 3.41 -0.05 4.21 0.00 -1.10 -3.97 121.76 122.42 3gbc s ALA 152 Ca 0.35 -0.02 -0.00 0.00 0.00 0.00 0.00 51.96 52.28 3gbc s ALA 152 Cb -0.10 -2.84 0.03 0.00 0.00 0.00 0.00 23.12 20.20 3gbc s ALA 152 CO 0.29 -0.10 -0.01 0.99 0.00 0.00 0.00 175.76 176.93 3gbc s THR 153 N 0.82 0.31 -0.04 0.00 2.01 -1.26 -0.60 115.64 116.88 3gbc s THR 153 Ca 0.32 0.07 0.03 0.00 0.31 0.00 0.00 61.69 62.43 3gbc s THR 153 Cb -0.17 -0.42 -0.03 0.00 0.01 0.00 0.00 72.50 71.90 3gbc s THR 153 CO 0.14 0.21 -0.11 -0.13 -0.69 0.00 0.00 174.62 174.04 3gbc s ARG 154 N 1.40 2.55 -0.18 4.92 0.52 -0.66 -1.68 118.95 125.82 3gbc s ARG 154 Ca -0.04 -0.68 -0.15 0.00 -0.52 0.00 0.00 55.73 54.34 3gbc s ARG 154 Cb -0.13 -2.44 -0.04 0.00 0.52 0.00 0.00 34.95 32.86 3gbc s ARG 154 CO -0.03 0.63 0.37 0.08 0.02 0.00 0.00 175.30 176.38 3gbc s VAL 155 N -0.80 5.23 -1.30 3.52 1.01 -0.87 -0.52 120.40 126.67 3gbc s VAL 155 Ca 0.13 0.69 -0.15 0.00 0.00 0.00 0.00 61.98 62.64 3gbc s VAL 155 Cb -0.11 -3.71 0.11 0.00 0.00 0.00 0.00 36.38 32.67 3gbc s VAL 155 CO 0.02 0.30 1.75 0.18 0.00 0.00 0.00 175.10 177.35 3gbc n LEU 156 N 4.10 5.58 -0.33 3.92 4.77 -1.18 -1.64 117.00 132.21 3gbc n LEU 156 Ca -0.09 -4.21 0.30 0.00 -0.03 0.00 0.00 56.01 51.97 3gbc n LEU 156 Cb 0.51 -1.66 0.63 0.00 -2.33 0.00 0.00 43.42 40.58 3gbc n LEU 156 CO 0.40 0.65 1.27 -0.37 -1.33 0.00 0.00 177.39 178.01 3gbc h VAL 157 N 4.79 0.44 0.00 4.08 -1.51 -1.82 0.80 116.25 123.02 3gbc h VAL 157 Ca 0.42 -0.06 0.00 0.00 -1.23 0.00 0.00 66.70 65.83 3gbc h VAL 157 Cb 0.80 0.24 0.00 0.00 -2.13 0.00 0.00 31.29 30.20 3gbc h VAL 157 CO 1.49 0.03 0.00 -0.90 -1.23 0.00 0.00 177.57 176.96 3gbc n ASP 158 N -4.42 0.11 -2.21 4.19 5.75 -1.26 -3.07 116.55 115.63 3gbc n ASP 158 Ca 0.26 0.52 -0.24 0.00 -0.01 0.00 0.00 54.79 55.32 3gbc n ASP 158 Cb 1.10 -0.55 0.01 0.00 -1.03 0.00 0.00 41.12 40.65 3gbc n ASP 158 CO 0.00 0.00 0.00 0.18 -0.11 0.00 0.00 177.20 177.27 3gbc n LEU 159 N -1.61 4.71 -4.36 -2.12 4.77 0.28 -4.98 117.00 113.70 3gbc n LEU 159 Ca 0.04 -4.86 -0.18 0.00 -0.03 0.00 0.00 56.01 50.98 3gbc n LEU 159 Cb 0.23 -0.35 -0.10 0.00 -2.33 0.00 0.00 43.42 40.87 3gbc n LEU 159 CO 0.18 2.12 -0.24 0.42 -1.33 0.00 0.00 177.39 178.54 3gbc s THR 160 N -4.89 0.64 -0.08 -5.08 -4.23 -1.17 -1.83 115.64 98.99 3gbc s THR 160 Ca 0.49 -2.00 0.00 0.00 -1.18 0.00 0.00 61.69 59.00 3gbc s THR 160 Cb 0.40 -2.63 0.02 0.00 1.34 0.00 0.00 72.50 71.64 3gbc s THR 160 CO -0.04 0.00 -0.05 0.00 -0.54 0.00 0.00 174.62 173.98 3gbc s ALA 161 N -3.62 1.00 0.25 3.99 0.00 -0.85 -4.95 121.76 117.58 3gbc s ALA 161 Ca 0.36 -0.30 0.07 0.00 0.00 0.00 0.00 51.96 52.09 3gbc s ALA 161 Cb 0.07 -0.71 -0.03 0.00 0.00 0.00 0.00 23.12 22.45 3gbc s ALA 161 CO 0.15 -0.27 0.24 0.20 0.00 0.00 0.00 175.76 176.08 3gbc s GLY 162 N 1.46 1.38 -0.16 0.00 0.00 -1.26 -2.24 107.32 106.50 3gbc s GLY 162 Ca -0.01 -1.38 -0.17 0.00 0.00 0.00 0.00 44.72 43.16 3gbc s GLY 162 CO -0.04 -1.41 0.18 -2.08 0.00 0.00 0.00 173.10 169.74 3gbc h VAL 163 N 1.40 0.70 -3.56 1.40 2.07 -1.95 -3.44 116.25 112.87 3gbc h VAL 163 Ca -0.49 -1.73 -0.55 0.00 0.82 0.00 0.00 66.70 64.75 3gbc h VAL 163 Cb 1.24 1.52 -0.20 0.00 -1.52 0.00 0.00 31.29 32.34 3gbc h VAL 163 CO 0.61 0.24 -0.80 -0.55 0.02 0.00 0.00 177.57 177.08 3gbc s SER 164 N -6.26 2.68 0.14 0.57 0.15 -1.26 -4.93 113.70 104.80 3gbc s SER 164 Ca -0.19 -0.79 -0.17 0.00 0.70 0.00 0.00 55.95 55.49 3gbc s SER 164 Cb 0.02 -0.16 0.02 0.00 -1.71 0.00 0.00 66.02 64.20 3gbc s SER 164 CO 0.43 0.02 1.75 0.00 1.20 0.00 0.00 173.24 176.63 3gbc h ALA 165 N 3.59 0.34 -0.06 5.45 0.00 -1.99 -1.27 119.26 125.32 3gbc h ALA 165 Ca -0.44 0.04 -0.03 0.00 0.00 0.00 0.00 54.91 54.48 3gbc h ALA 165 Cb 1.19 0.02 -0.00 0.00 0.00 0.00 0.00 17.79 19.01 3gbc h ALA 165 CO 0.46 -0.30 -0.07 0.38 0.00 0.00 0.00 179.25 179.72 3gbc h ASP 166 N 0.23 0.16 -0.47 0.00 2.03 -2.00 -1.69 116.42 114.67 3gbc h ASP 166 Ca 0.13 -0.51 0.06 0.00 -0.73 0.00 0.00 57.03 55.98 3gbc h ASP 166 Cb 0.11 -0.04 -0.03 0.00 -0.83 0.00 0.00 39.33 38.54 3gbc h ASP 166 CO -0.14 0.64 0.32 0.71 -1.03 0.00 0.00 179.24 179.73 3gbc h THR 167 N -0.32 0.98 -0.28 1.15 1.35 -2.00 -2.21 112.91 111.58 3gbc h THR 167 Ca 0.01 -0.14 -0.09 0.00 -0.55 0.00 0.00 66.41 65.63 3gbc h THR 167 Cb 0.60 0.52 -0.01 0.00 -1.73 0.00 0.00 68.15 67.53 3gbc h THR 167 CO 0.02 0.08 -0.21 0.74 -0.25 0.00 0.00 175.52 175.89 3gbc h THR 168 N 0.42 1.26 0.55 6.82 2.02 -0.98 -0.90 112.91 122.09 3gbc h THR 168 Ca 0.20 -1.20 -0.03 0.00 0.77 0.00 0.00 66.41 66.15 3gbc h THR 168 Cb 0.28 1.28 0.01 0.00 -1.74 0.00 0.00 68.15 67.97 3gbc h THR 168 CO -0.05 0.39 -0.26 0.58 0.37 0.00 0.00 175.52 176.54 3gbc h VAL 169 N 0.46 0.29 -0.89 3.16 2.07 -1.18 -2.12 116.25 118.03 3gbc h VAL 169 Ca 0.07 -0.40 0.19 0.00 0.82 0.00 0.00 66.70 67.39 3gbc h VAL 169 Cb 0.62 0.40 -0.11 0.00 -1.52 0.00 0.00 31.29 30.68 3gbc h VAL 169 CO 0.04 0.04 0.43 0.00 0.02 0.00 0.00 177.57 178.10 3gbc h ALA 170 N -0.81 1.40 -0.68 1.67 0.00 -1.37 -0.78 119.26 118.69 3gbc h ALA 170 Ca -0.07 0.13 -0.08 0.00 0.00 0.00 0.00 54.91 54.89 3gbc h ALA 170 Cb 0.63 0.07 -0.03 0.00 0.00 0.00 0.00 17.79 18.47 3gbc h ALA 170 CO 0.12 -0.24 0.11 0.00 0.00 0.00 0.00 179.25 179.25 3gbc h ALA 171 N 1.65 0.90 -0.21 0.00 0.00 -1.18 -0.94 119.26 119.49 3gbc h ALA 171 Ca 0.53 -0.27 -0.12 0.00 0.00 0.00 0.00 54.91 55.04 3gbc h ALA 171 Cb 0.92 -0.26 -0.00 0.00 0.00 0.00 0.00 17.79 18.45 3gbc h ALA 171 CO -0.46 0.67 -0.35 -0.07 0.00 0.00 0.00 179.25 179.03 3gbc h LEU 172 N 1.04 0.67 -0.72 0.00 3.38 -0.46 -2.66 115.31 116.56 3gbc h LEU 172 Ca 0.21 -0.53 0.12 0.00 0.09 0.00 0.00 57.88 57.76 3gbc h LEU 172 Cb 0.44 -0.19 -0.13 0.00 0.09 0.00 0.00 40.66 40.87 3gbc h LEU 172 CO 0.01 1.07 -0.38 -0.33 0.09 0.00 0.00 178.44 178.91 3gbc h GLU 173 N 0.28 -0.12 -0.00 1.13 5.08 -1.32 -2.47 114.58 117.16 3gbc h GLU 173 Ca 0.01 0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.38 3gbc h GLU 173 Cb 0.95 0.03 -0.00 0.00 0.50 0.00 0.00 28.75 30.22 3gbc h GLU 173 CO 0.08 -0.08 0.00 0.93 -1.00 0.00 0.00 179.01 178.94 3gbc h GLU 174 N -0.12 0.00 0.15 2.33 4.39 -0.84 -2.77 114.58 117.72 3gbc h GLU 174 Ca 0.25 0.00 -0.32 0.00 0.34 0.00 0.00 59.36 59.63 3gbc h GLU 174 Cb 0.56 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.21 3gbc h GLU 174 CO -0.78 0.00 -1.63 0.52 -1.16 0.00 0.00 179.01 175.96 3gbc h MET 175 N 0.00 0.32 -0.51 2.33 2.86 -1.15 -2.82 114.93 115.96 3gbc h MET 175 Ca 0.00 -0.55 0.02 0.00 -2.06 0.00 0.00 59.70 57.11 3gbc h MET 175 Cb 0.00 0.20 -0.03 0.00 0.06 0.00 0.00 31.60 31.84 3gbc h MET 175 CO -0.00 1.26 0.31 0.00 1.06 0.00 0.00 176.91 179.54 3gbc h ARG 176 N -0.07 0.61 0.00 1.72 3.08 -1.34 0.68 114.38 119.05 3gbc h ARG 176 Ca -0.33 -0.04 -0.01 0.00 0.07 0.00 0.00 59.98 59.67 3gbc h ARG 176 Cb 1.95 -0.14 -0.00 0.00 0.08 0.00 0.00 29.97 31.86 3gbc h ARG 176 CO 0.12 0.40 -0.03 1.15 -1.07 0.00 0.00 179.97 180.54 3gbc h THR 177 N 0.63 0.62 -0.00 2.04 2.02 -1.59 0.42 112.91 117.05 3gbc h THR 177 Ca 0.20 -0.11 0.00 0.00 0.77 0.00 0.00 66.41 67.27 3gbc h THR 177 Cb -0.01 1.07 0.00 0.00 -1.74 0.00 0.00 68.15 67.47 3gbc h THR 177 CO -0.08 0.03 -0.31 0.00 0.37 0.00 0.00 175.52 175.53 3gbc n ALA 178 N -2.35 3.09 -1.69 6.16 0.00 -0.83 -4.99 120.51 119.91 3gbc n ALA 178 Ca -0.03 -0.26 0.00 0.00 0.00 0.00 0.00 53.44 53.15 3gbc n ALA 178 Cb 0.11 -1.25 0.00 0.00 0.00 0.00 0.00 19.45 18.31 3gbc n ALA 178 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 3gbc n SER 179 N -1.47 -0.90 -4.80 0.00 3.41 0.15 -4.97 113.62 105.04 3gbc n SER 179 Ca 0.06 0.00 -0.36 0.00 -0.26 0.00 0.00 58.87 58.32 3gbc n SER 179 Cb 0.33 -0.41 -0.06 0.00 -0.26 0.00 0.00 64.21 63.81 3gbc n SER 179 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 3gbc s VAL 180 N -2.07 4.36 -0.23 -3.33 1.01 -0.50 -4.86 120.40 114.78 3gbc s VAL 180 Ca 0.00 1.58 -0.10 0.00 0.00 0.00 0.00 61.98 63.45 3gbc s VAL 180 Cb 0.00 -3.87 -0.05 0.00 0.00 0.00 0.00 36.38 32.46 3gbc s VAL 180 CO 0.00 0.05 0.16 -0.70 0.00 0.00 0.00 175.10 174.60 3gbc s GLU 181 N -2.31 4.10 -0.23 2.72 2.12 -0.67 -4.29 118.70 120.13 3gbc s GLU 181 Ca 0.51 -0.25 -0.05 0.00 0.36 0.00 0.00 54.97 55.54 3gbc s GLU 181 Cb -0.16 -3.51 -0.01 0.00 0.26 0.00 0.00 34.13 30.71 3gbc s GLU 181 CO 0.21 0.12 -0.01 -0.51 -0.54 0.00 0.00 175.26 174.52 3gbc s LEU 182 N 0.90 3.06 0.10 2.70 1.43 -1.26 -2.04 118.68 123.56 3gbc s LEU 182 Ca 0.08 -0.36 -0.01 0.00 -1.03 0.00 0.00 54.13 52.81 3gbc s LEU 182 Cb -0.13 -1.79 -0.04 0.00 0.03 0.00 0.00 46.19 44.26 3gbc s LEU 182 CO 0.03 -0.03 0.03 0.68 0.23 0.00 0.00 176.35 177.29 3gbc s VAL 183 N 1.51 0.14 0.48 -1.59 -7.23 -0.65 -4.98 120.40 108.08 3gbc s VAL 183 Ca 0.06 -1.88 -0.04 0.00 -1.81 0.00 0.00 61.98 58.31 3gbc s VAL 183 Cb -0.15 -1.86 -0.03 0.00 0.56 0.00 0.00 36.38 34.91 3gbc s VAL 183 CO -0.01 -0.65 0.76 0.00 -0.31 0.00 0.00 175.10 174.88