#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2g4g n PRO 11 N 0.00 0.11 -3.59 0.00 -0.04 -1.26 -4.70 135.00 125.51 2g4g n PRO 11 Ca 0.00 0.03 -0.26 0.00 -0.04 0.00 0.00 63.50 63.24 2g4g n PRO 11 Cb 0.00 -1.50 -0.16 0.00 -0.04 0.00 0.00 33.50 31.80 2g4g n PRO 11 CO 0.00 0.00 0.00 -1.17 -0.04 0.00 0.00 175.50 174.29 2g4g s LEU 12 N -2.88 0.33 0.15 1.53 2.96 -1.26 -0.49 118.68 119.02 2g4g s LEU 12 Ca 0.17 -0.66 0.10 0.00 -0.22 0.00 0.00 54.13 53.51 2g4g s LEU 12 Cb 0.18 -0.21 -0.04 0.00 0.50 0.00 0.00 46.19 46.62 2g4g s LEU 12 CO 0.47 -0.36 -0.18 -0.32 -1.32 0.00 0.00 176.35 174.64 2g4g s MET 13 N 2.15 1.76 -0.05 1.98 -2.45 -0.09 -4.44 119.30 118.17 2g4g s MET 13 Ca 0.03 -1.31 0.03 0.00 -1.25 0.00 0.00 55.69 53.19 2g4g s MET 13 Cb -0.16 -2.04 0.01 0.00 1.25 0.00 0.00 34.83 33.89 2g4g s MET 13 CO -0.12 0.44 -0.12 0.08 1.05 0.00 0.00 175.02 176.35 2g4g s VAL 14 N -1.43 1.08 -0.05 10.11 1.01 -1.10 -0.58 120.40 129.45 2g4g s VAL 14 Ca 0.20 -0.49 0.02 0.00 0.00 0.00 0.00 61.98 61.70 2g4g s VAL 14 Cb -0.09 -0.96 0.02 0.00 0.00 0.00 0.00 36.38 35.34 2g4g s VAL 14 CO 0.11 0.33 -0.07 -0.75 0.00 0.00 0.00 175.10 174.72 2g4g s LYS 15 N 0.34 1.10 -0.05 2.72 2.20 -0.12 -0.79 119.74 125.13 2g4g s LYS 15 Ca -0.08 -0.22 0.04 0.00 -0.36 0.00 0.00 55.97 55.36 2g4g s LYS 15 Cb -0.12 -1.00 -0.00 0.00 -1.51 0.00 0.00 37.83 35.20 2g4g s LYS 15 CO 0.02 -0.02 -0.18 0.08 -0.36 0.00 0.00 175.35 174.89 2g4g s VAL 16 N 0.74 1.50 0.17 4.02 1.01 0.28 -0.57 120.40 127.55 2g4g s VAL 16 Ca -0.12 -0.74 0.10 0.00 0.00 0.00 0.00 61.98 61.22 2g4g s VAL 16 Cb -0.14 -1.30 -0.04 0.00 0.00 0.00 0.00 36.38 34.90 2g4g s VAL 16 CO 0.01 0.43 -0.22 -0.76 0.00 0.00 0.00 175.10 174.56 2g4g s LEU 17 N 0.13 2.42 -0.29 3.92 1.43 -0.09 -0.95 118.68 125.24 2g4g s LEU 17 Ca -0.07 -0.84 -0.06 0.00 -1.03 0.00 0.00 54.13 52.13 2g4g s LEU 17 Cb -0.13 -1.05 0.01 0.00 0.03 0.00 0.00 46.19 45.06 2g4g s LEU 17 CO 0.03 0.07 0.06 -0.62 0.23 0.00 0.00 176.35 176.13 2g4g s ASP 18 N -2.56 5.04 0.08 2.29 -1.08 0.15 -1.03 116.67 119.56 2g4g s ASP 18 Ca 0.18 -0.77 0.27 0.00 -0.52 0.00 0.00 52.55 51.71 2g4g s ASP 18 Cb -0.08 -1.85 0.99 0.00 -1.46 0.00 0.00 42.92 40.52 2g4g s ASP 18 CO 0.08 -0.20 1.81 0.00 0.52 0.00 0.00 175.17 177.38 2g4g n ALA 19 N 4.83 2.43 0.01 3.66 0.00 -0.15 -1.24 120.51 130.05 2g4g n ALA 19 Ca -0.15 -0.10 -0.21 0.00 0.00 0.00 0.00 53.44 52.99 2g4g n ALA 19 Cb 0.47 -1.43 -0.14 0.00 0.00 0.00 0.00 19.45 18.36 2g4g n ALA 19 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 2g4g h VAL 20 N 0.00 1.07 0.00 0.00 2.07 -1.95 -3.38 116.25 114.06 2g4g h VAL 20 Ca 0.00 -2.40 0.00 0.00 0.82 0.00 0.00 66.70 65.12 2g4g h VAL 20 Cb 0.60 2.74 0.00 0.00 -1.52 0.00 0.00 31.29 33.11 2g4g h VAL 20 CO 0.00 0.69 -0.96 0.54 0.02 0.00 0.00 177.57 177.86 2g4g n ARG 21 N -3.96 0.14 -3.13 1.57 1.74 -1.24 -4.99 116.66 106.78 2g4g n ARG 21 Ca -0.24 -0.01 -0.14 0.00 -0.77 0.00 0.00 57.85 56.68 2g4g n ARG 21 Cb 0.88 -1.53 0.07 0.00 -1.02 0.00 0.00 32.46 30.86 2g4g n ARG 21 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2g4g n GLY 22 N 1.44 -0.59 3.36 -0.13 0.00 -0.37 -5.04 105.19 103.87 2g4g n GLY 22 Ca 0.03 0.26 -0.10 0.00 0.00 0.00 0.00 46.02 46.21 2g4g n GLY 22 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2g4g s SER 23 N -3.75 -0.09 0.65 1.61 1.04 -1.01 -5.00 113.70 107.15 2g4g s SER 23 Ca 0.20 -0.60 -0.18 0.00 0.48 0.00 0.00 55.95 55.85 2g4g s SER 23 Cb -0.03 0.47 -0.01 0.00 0.10 0.00 0.00 66.02 66.55 2g4g s SER 23 CO 0.64 -0.90 1.28 -2.65 0.98 0.00 0.00 173.24 172.59 2g4g n PRO 24 N -0.23 1.11 -3.08 4.02 -0.02 -1.26 0.29 135.00 135.83 2g4g n PRO 24 Ca -0.11 0.43 -0.44 0.00 -2.02 0.00 0.00 63.50 61.36 2g4g n PRO 24 Cb 0.63 -2.51 -0.06 0.00 -0.02 0.00 0.00 33.50 31.54 2g4g n PRO 24 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2g4g s ALA 25 N -1.39 3.34 0.04 3.55 0.00 -0.13 -4.54 121.76 122.63 2g4g s ALA 25 Ca 0.82 -1.72 -0.11 0.00 0.00 0.00 0.00 51.96 50.96 2g4g s ALA 25 Cb -0.38 -3.46 -0.06 0.00 0.00 0.00 0.00 23.12 19.22 2g4g s ALA 25 CO 0.41 -2.15 0.38 0.42 0.00 0.00 0.00 175.76 174.81 2g4g s ILE 26 N 2.94 5.11 -1.21 0.00 1.01 -1.26 -4.27 121.20 123.51 2g4g s ILE 26 Ca 0.18 0.54 0.00 0.00 0.00 0.00 0.00 60.65 61.37 2g4g s ILE 26 Cb -0.19 -3.65 0.00 0.00 0.01 0.00 0.00 42.46 38.64 2g4g s ILE 26 CO 0.12 0.41 0.00 0.59 0.00 0.00 0.00 174.94 176.06 2g4g n ASN 27 N 1.28 -4.28 -4.69 3.58 3.02 -0.63 -4.96 115.26 108.58 2g4g n ASN 27 Ca -0.11 0.20 -0.42 0.00 -0.03 0.00 0.00 54.58 54.23 2g4g n ASN 27 Cb 0.52 -3.05 -0.03 0.00 -0.61 0.00 0.00 39.78 36.62 2g4g n ASN 27 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 2g4g s VAL 28 N -2.50 4.84 0.17 2.41 1.01 -1.26 -4.73 120.40 120.34 2g4g s VAL 28 Ca 0.00 1.91 -0.30 0.00 0.00 0.00 0.00 61.98 63.59 2g4g s VAL 28 Cb 0.00 -4.25 -0.07 0.00 0.00 0.00 0.00 36.38 32.05 2g4g s VAL 28 CO 0.00 0.06 1.04 0.00 0.00 0.00 0.00 175.10 176.20 2g4g s ALA 29 N 1.75 3.33 -0.06 5.51 0.00 -1.26 -1.08 121.76 129.94 2g4g s ALA 29 Ca 0.46 0.73 0.00 0.00 0.00 0.00 0.00 51.96 53.15 2g4g s ALA 29 Cb -0.18 -3.31 0.02 0.00 0.00 0.00 0.00 23.12 19.65 2g4g s ALA 29 CO 0.19 -0.09 -0.05 0.08 0.00 0.00 0.00 175.76 175.88 2g4g s VAL 30 N -0.37 0.65 -0.12 0.00 1.01 -0.16 -1.15 120.40 120.26 2g4g s VAL 30 Ca 0.47 -0.14 0.02 0.00 0.00 0.00 0.00 61.98 62.33 2g4g s VAL 30 Cb -0.27 -0.69 -0.01 0.00 0.00 0.00 0.00 36.38 35.41 2g4g s VAL 30 CO 0.33 0.27 -0.18 -1.00 0.00 0.00 0.00 175.10 174.53 2g4g s HIS 31 N 1.23 2.71 -0.10 5.22 3.76 0.06 -1.45 115.29 126.71 2g4g s HIS 31 Ca -0.06 -0.83 -0.01 0.00 -0.15 0.00 0.00 55.06 54.01 2g4g s HIS 31 Cb -0.14 -1.79 -0.03 0.00 1.11 0.00 0.00 32.58 31.73 2g4g s HIS 31 CO -0.02 -0.31 -0.03 0.08 -0.85 0.00 0.00 174.74 173.61 2g4g s VAL 32 N 0.37 4.00 0.16 -0.90 1.01 0.12 0.17 120.40 125.34 2g4g s VAL 32 Ca -0.14 -0.35 0.08 0.00 0.00 0.00 0.00 61.98 61.57 2g4g s VAL 32 Cb -0.17 -2.69 -0.04 0.00 0.00 0.00 0.00 36.38 33.48 2g4g s VAL 32 CO 0.07 0.57 -0.18 -0.36 0.00 0.00 0.00 175.10 175.20 2g4g s PHE 33 N -0.53 1.81 -0.06 5.22 0.08 0.77 -0.82 117.98 124.45 2g4g s PHE 33 Ca 0.08 -0.47 0.04 0.00 0.12 0.00 0.00 56.93 56.70 2g4g s PHE 33 Cb -0.12 -0.91 -0.02 0.00 -0.57 0.00 0.00 43.02 41.40 2g4g s PHE 33 CO 0.02 0.32 -0.17 0.50 -0.10 0.00 0.00 175.22 175.79 2g4g s ARG 34 N -2.75 2.59 -0.10 0.44 3.52 0.15 -1.24 118.95 121.55 2g4g s ARG 34 Ca 0.15 -0.75 -0.30 0.00 -0.13 0.00 0.00 55.73 54.71 2g4g s ARG 34 Cb -0.06 -2.35 -0.03 0.00 -1.56 0.00 0.00 34.95 30.95 2g4g s ARG 34 CO 0.06 0.52 1.31 0.21 -0.81 0.00 0.00 175.30 176.60 2g4g s LYS 35 N -0.48 4.26 0.73 5.12 2.20 -0.50 -0.12 119.74 130.95 2g4g s LYS 35 Ca 0.06 1.77 -0.09 0.00 -0.36 0.00 0.00 55.97 57.35 2g4g s LYS 35 Cb -0.12 -3.71 0.06 0.00 -1.51 0.00 0.00 37.83 32.56 2g4g s LYS 35 CO 0.01 -0.64 1.07 0.00 -0.36 0.00 0.00 175.35 175.44 2g4g s ALA 36 N 3.07 2.98 0.44 3.13 0.00 -0.02 -4.76 121.76 126.60 2g4g s ALA 36 Ca 0.58 -0.79 0.10 0.00 0.00 0.00 0.00 51.96 51.86 2g4g s ALA 36 Cb -0.25 -2.74 0.98 0.00 0.00 0.00 0.00 23.12 21.11 2g4g s ALA 36 CO 0.20 -1.39 2.08 0.00 0.00 0.00 0.00 175.76 176.65 2g4g h ALA 37 N -0.73 1.79 -0.22 0.00 0.00 -1.96 -0.96 119.26 117.18 2g4g h ALA 37 Ca -0.45 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.44 2g4g h ALA 37 Cb 1.31 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.99 2g4g h ALA 37 CO 0.62 0.19 0.00 -0.40 0.00 0.00 0.00 179.25 179.66 2g4g n ASP 38 N -4.49 1.66 0.00 0.00 5.75 -1.26 -4.90 116.55 113.31 2g4g n ASP 38 Ca 0.01 -2.09 0.00 0.00 -0.01 0.00 0.00 54.79 52.70 2g4g n ASP 38 Cb 0.07 -0.28 0.00 0.00 -1.03 0.00 0.00 41.12 39.88 2g4g n ASP 38 CO 0.00 0.00 0.00 0.47 -0.11 0.00 0.00 177.20 177.56 2g4g n ASP 39 N 0.20 -2.34 -4.90 -1.12 8.00 -0.37 -5.03 116.55 111.00 2g4g n ASP 39 Ca 0.08 0.00 -0.28 0.00 0.71 0.00 0.00 54.79 55.30 2g4g n ASP 39 Cb 0.31 -0.65 0.00 0.00 -0.02 0.00 0.00 41.12 40.77 2g4g n ASP 39 CO 0.00 0.00 0.00 0.42 -0.39 0.00 0.00 177.20 177.23 2g4g s THR 40 N -2.42 4.74 -0.43 -3.53 -4.23 -1.26 -4.81 115.64 103.71 2g4g s THR 40 Ca 0.00 0.32 -0.17 0.00 -1.18 0.00 0.00 61.69 60.66 2g4g s THR 40 Cb 0.00 -3.83 0.03 0.00 1.34 0.00 0.00 72.50 70.04 2g4g s THR 40 CO 0.00 -0.88 0.44 0.26 -0.54 0.00 0.00 174.62 173.90 2g4g s TRP 41 N -2.86 3.17 -0.20 3.99 0.52 -1.26 -0.84 118.94 121.46 2g4g s TRP 41 Ca 0.50 -0.45 -0.21 0.00 0.02 0.00 0.00 56.10 55.95 2g4g s TRP 41 Cb -0.10 -2.94 -0.02 0.00 -1.15 0.00 0.00 33.47 29.26 2g4g s TRP 41 CO 0.47 -0.73 0.66 -2.00 0.02 0.00 0.00 176.95 175.38 2g4g s GLU 42 N 2.10 4.22 0.28 4.98 2.12 0.83 -4.85 118.70 128.37 2g4g s GLU 42 Ca 0.11 0.68 -0.29 0.00 0.36 0.00 0.00 54.97 55.83 2g4g s GLU 42 Cb -0.18 -3.58 -0.14 0.00 0.26 0.00 0.00 34.13 30.49 2g4g s GLU 42 CO 0.13 -0.27 1.07 -2.30 -0.54 0.00 0.00 175.26 173.34 2g4g n PRO 43 N 5.14 1.42 0.00 4.30 -0.02 -1.26 0.29 135.00 144.87 2g4g n PRO 43 Ca -0.00 0.50 0.00 0.00 -2.02 0.00 0.00 63.50 61.98 2g4g n PRO 43 Cb 0.49 -1.91 0.00 0.00 -0.02 0.00 0.00 33.50 32.06 2g4g n PRO 43 CO 0.00 0.00 0.00 0.34 1.98 0.00 0.00 175.50 177.82 2g4g n PHE 44 N 0.45 0.00 -3.67 6.00 7.35 -0.00 -4.72 117.46 122.87 2g4g n PHE 44 Ca 0.10 0.00 -0.08 0.00 -0.76 0.00 0.00 57.45 56.71 2g4g n PHE 44 Cb 0.31 0.16 -0.02 0.00 0.35 0.00 0.00 39.48 40.29 2g4g n PHE 44 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 2g4g s ALA 45 N -1.77 -1.49 0.04 3.13 0.00 -1.02 -5.01 121.76 115.63 2g4g s ALA 45 Ca 0.00 0.18 -0.28 0.00 0.00 0.00 0.00 51.96 51.86 2g4g s ALA 45 Cb 0.00 0.76 0.09 0.00 0.00 0.00 0.00 23.12 23.98 2g4g s ALA 45 CO 0.00 -0.92 0.92 -1.54 0.00 0.00 0.00 175.76 174.22 2g4g s SER 46 N -2.82 -0.30 -0.01 0.00 1.04 -1.26 0.15 113.70 110.50 2g4g s SER 46 Ca 0.08 -0.12 -0.06 0.00 0.48 0.00 0.00 55.95 56.32 2g4g s SER 46 Cb -0.03 0.41 0.02 0.00 0.10 0.00 0.00 66.02 66.52 2g4g s SER 46 CO -0.02 -0.69 0.28 0.61 0.98 0.00 0.00 173.24 174.40 2g4g n GLY 47 N -0.31 0.49 3.07 7.32 0.00 -0.53 -4.97 105.19 110.26 2g4g n GLY 47 Ca -0.08 -0.87 -0.23 0.00 0.00 0.00 0.00 46.02 44.84 2g4g n GLY 47 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2g4g s LYS 48 N -2.00 1.40 0.53 1.61 1.02 -1.26 -0.99 119.74 120.05 2g4g s LYS 48 Ca 0.07 -0.47 -0.22 0.00 0.02 0.00 0.00 55.97 55.37 2g4g s LYS 48 Cb -0.00 -1.25 -0.06 0.00 -0.52 0.00 0.00 37.83 36.00 2g4g s LYS 48 CO -0.00 0.18 1.18 0.25 -0.92 0.00 0.00 175.35 176.04 2g4g n THR 49 N 3.21 3.41 -1.55 2.17 -2.24 -0.24 -4.81 114.28 114.24 2g4g n THR 49 Ca -0.18 -0.50 -0.09 0.00 -2.27 0.00 0.00 64.05 61.01 2g4g n THR 49 Cb 0.54 -1.43 0.06 0.00 -2.10 0.00 0.00 70.33 67.40 2g4g n THR 49 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 2g4g n SER 50 N -0.54 0.13 0.25 3.42 3.41 0.28 -1.60 113.62 118.97 2g4g n SER 50 Ca 0.11 -1.21 0.17 0.00 -0.26 0.00 0.00 58.87 57.68 2g4g n SER 50 Cb 0.44 -0.31 0.83 0.00 -0.26 0.00 0.00 64.21 64.91 2g4g n SER 50 CO 0.00 0.00 0.00 1.05 -0.16 0.00 0.00 175.04 175.93 2g4g h GLU 51 N 0.00 0.00 -0.19 4.33 4.11 -1.94 -0.00 114.58 120.89 2g4g h GLU 51 Ca -0.14 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.29 2g4g h GLU 51 Cb 0.40 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.65 2g4g h GLU 51 CO 0.10 0.00 0.00 -1.13 0.07 0.00 0.00 179.01 178.05 2g4g n SER 52 N -2.80 2.15 -0.09 3.06 3.41 -1.26 -4.80 113.62 113.30 2g4g n SER 52 Ca -0.01 -1.77 -0.01 0.00 -0.26 0.00 0.00 58.87 56.82 2g4g n SER 52 Cb 0.16 -0.12 -0.01 0.00 -0.26 0.00 0.00 64.21 63.99 2g4g n SER 52 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2g4g n GLY 53 N 1.24 0.50 3.65 5.00 0.00 -0.01 -4.78 105.19 110.78 2g4g n GLY 53 Ca 0.17 -0.30 -0.28 0.00 0.00 0.00 0.00 46.02 45.61 2g4g n GLY 53 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2g4g s GLU 54 N -1.01 2.38 -0.21 1.61 2.02 -1.26 -0.56 118.70 121.68 2g4g s GLU 54 Ca 0.00 -1.05 -0.02 0.00 0.02 0.00 0.00 54.97 53.91 2g4g s GLU 54 Cb 0.00 -2.38 0.06 0.00 0.10 0.00 0.00 34.13 31.92 2g4g s GLU 54 CO 0.00 0.48 0.02 -1.17 0.02 0.00 0.00 175.26 174.61 2g4g s LEU 55 N -2.74 1.46 0.32 1.80 2.96 0.03 -0.56 118.68 121.96 2g4g s LEU 55 Ca 0.26 -0.92 0.08 0.00 -0.22 0.00 0.00 54.13 53.33 2g4g s LEU 55 Cb -0.10 -0.70 -0.03 0.00 0.50 0.00 0.00 46.19 45.85 2g4g s LEU 55 CO 0.18 -0.30 0.22 -1.00 -1.32 0.00 0.00 176.35 174.13 2g4g s HIS 56 N 1.77 2.86 -0.09 5.38 3.76 -1.26 -2.71 115.29 125.01 2g4g s HIS 56 Ca -0.01 -0.30 0.00 0.00 -0.15 0.00 0.00 55.06 54.60 2g4g s HIS 56 Cb -0.17 -1.68 0.00 0.00 1.11 0.00 0.00 32.58 31.84 2g4g s HIS 56 CO -0.09 0.29 0.00 0.41 -0.85 0.00 0.00 174.74 174.50 2g4g n GLY 57 N -1.26 0.46 0.27 -2.22 0.00 -1.26 -4.94 105.19 96.24 2g4g n GLY 57 Ca -0.03 -0.85 -0.07 0.00 0.00 0.00 0.00 46.02 45.07 2g4g n GLY 57 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 2g4g h LEU 58 N 0.00 0.83 0.00 0.99 3.38 -1.85 -3.47 115.31 115.19 2g4g h LEU 58 Ca -0.02 -0.14 -0.21 0.00 0.09 0.00 0.00 57.88 57.61 2g4g h LEU 58 Cb 0.06 -0.21 -0.05 0.00 0.09 0.00 0.00 40.66 40.55 2g4g h LEU 58 CO 0.02 0.73 -0.04 1.07 0.09 0.00 0.00 178.44 180.32 2g4g n THR 59 N -4.49 0.00 -4.51 0.22 5.66 -1.26 -4.76 114.28 105.14 2g4g n THR 59 Ca 0.04 -1.55 -0.24 0.00 -3.05 0.00 0.00 64.05 59.26 2g4g n THR 59 Cb 0.13 1.05 -0.11 0.00 -1.55 0.00 0.00 70.33 69.85 2g4g n THR 59 CO 0.00 0.00 0.00 0.42 -3.05 0.00 0.00 175.07 172.44 2g4g s THR 60 N -2.63 1.82 0.27 1.09 -4.23 -1.26 -4.51 115.64 106.18 2g4g s THR 60 Ca 0.25 -2.10 -0.04 0.00 -1.18 0.00 0.00 61.69 58.62 2g4g s THR 60 Cb -0.02 -2.69 0.25 0.00 1.34 0.00 0.00 72.50 71.38 2g4g s THR 60 CO 0.18 -0.15 1.93 -0.08 -0.54 0.00 0.00 174.62 175.96 2g4g h GLU 61 N 2.06 1.21 -0.85 3.99 4.81 -1.97 -1.00 114.58 122.83 2g4g h GLU 61 Ca -0.42 -0.09 0.03 0.00 -0.13 0.00 0.00 59.36 58.76 2g4g h GLU 61 Cb 1.24 -0.26 -0.05 0.00 0.63 0.00 0.00 28.75 30.31 2g4g h GLU 61 CO 0.72 0.82 0.55 0.93 -0.73 0.00 0.00 179.01 181.29 2g4g h GLU 62 N 1.24 1.03 0.00 1.92 4.39 -2.05 -3.05 114.58 118.06 2g4g h GLU 62 Ca 0.33 -0.06 -0.13 0.00 0.34 0.00 0.00 59.36 59.84 2g4g h GLU 62 Cb -0.10 -0.23 -0.02 0.00 -0.10 0.00 0.00 28.75 28.29 2g4g h GLU 62 CO -0.07 0.68 -0.89 0.93 -1.16 0.00 0.00 179.01 178.51 2g4g h GLU 63 N 1.06 0.00 -4.15 2.33 5.08 -1.83 -3.41 114.58 113.66 2g4g h GLU 63 Ca 0.34 0.00 -0.75 0.00 -1.00 0.00 0.00 59.36 57.95 2g4g h GLU 63 Cb 0.00 0.00 -0.16 0.00 0.50 0.00 0.00 28.75 29.09 2g4g h GLU 63 CO -0.11 0.41 1.73 0.34 -1.00 0.00 0.00 179.01 180.38 2g4g n PHE 64 N -3.08 3.95 -2.20 4.33 7.35 -0.43 -4.96 117.46 122.42 2g4g n PHE 64 Ca -0.03 -3.06 -0.28 0.00 -0.76 0.00 0.00 57.45 53.32 2g4g n PHE 64 Cb 0.77 -2.09 0.04 0.00 0.35 0.00 0.00 39.48 38.55 2g4g n PHE 64 CO 0.00 0.00 0.00 0.14 -0.76 0.00 0.00 176.76 176.14 2g4g s VAL 65 N 1.06 3.64 0.51 -2.13 -7.23 -1.26 -4.95 120.40 110.04 2g4g s VAL 65 Ca 0.42 0.20 -0.21 0.00 -1.81 0.00 0.00 61.98 60.58 2g4g s VAL 65 Cb 0.04 -3.48 -0.08 0.00 0.56 0.00 0.00 36.38 33.42 2g4g s VAL 65 CO 0.00 -0.55 0.93 -0.62 -0.31 0.00 0.00 175.10 174.56 2g4g n GLU 66 N -2.74 1.07 0.00 4.82 1.02 -1.26 -4.85 120.64 118.71 2g4g n GLU 66 Ca 0.05 0.40 0.00 0.00 -0.02 0.00 0.00 57.16 57.59 2g4g n GLU 66 Cb 0.57 -2.06 0.00 0.00 -0.02 0.00 0.00 31.44 29.93 2g4g n GLU 66 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2g4g n GLY 67 N 1.29 0.38 3.76 0.62 0.00 -1.18 -4.97 105.19 105.10 2g4g n GLY 67 Ca 0.11 -1.49 -0.37 0.00 0.00 0.00 0.00 46.02 44.27 2g4g n GLY 67 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2g4g s ILE 68 N -1.73 5.29 0.11 -0.61 1.01 -1.26 -0.58 121.20 123.42 2g4g s ILE 68 Ca 0.00 0.55 0.09 0.00 0.00 0.00 0.00 60.65 61.29 2g4g s ILE 68 Cb 0.00 -3.62 -0.04 0.00 0.01 0.00 0.00 42.46 38.82 2g4g s ILE 68 CO 0.00 0.45 -0.22 -0.31 0.00 0.00 0.00 174.94 174.86 2g4g s TYR 69 N 0.03 1.88 -0.13 3.97 1.51 0.93 -1.41 117.35 124.13 2g4g s TYR 69 Ca 0.17 -0.41 0.02 0.00 -1.01 0.00 0.00 57.07 55.84 2g4g s TYR 69 Cb -0.13 -1.03 0.01 0.00 -0.11 0.00 0.00 41.96 40.70 2g4g s TYR 69 CO 0.05 0.23 -0.19 0.21 -1.11 0.00 0.00 175.55 174.74 2g4g s LYS 70 N -1.95 2.71 -0.31 -0.62 2.20 -0.38 -1.14 119.74 120.25 2g4g s LYS 70 Ca 0.08 -0.74 -0.10 0.00 -0.36 0.00 0.00 55.97 54.86 2g4g s LYS 70 Cb -0.10 -2.25 -0.01 0.00 -1.51 0.00 0.00 37.83 33.96 2g4g s LYS 70 CO 0.05 -0.06 0.15 0.08 -0.36 0.00 0.00 175.35 175.21 2g4g s VAL 71 N 0.96 4.63 -0.23 4.02 1.01 0.13 -0.16 120.40 130.76 2g4g s VAL 71 Ca -0.05 -0.39 -0.07 0.00 0.00 0.00 0.00 61.98 61.47 2g4g s VAL 71 Cb -0.15 -3.35 -0.03 0.00 0.00 0.00 0.00 36.38 32.85 2g4g s VAL 71 CO -0.03 0.08 0.05 -0.70 0.00 0.00 0.00 175.10 174.49 2g4g s GLU 72 N 1.62 3.67 -0.27 2.72 2.12 0.13 -0.16 118.70 128.53 2g4g s GLU 72 Ca 0.05 -0.48 -0.06 0.00 0.36 0.00 0.00 54.97 54.84 2g4g s GLU 72 Cb -0.17 -3.25 0.00 0.00 0.26 0.00 0.00 34.13 30.97 2g4g s GLU 72 CO 0.06 -0.09 0.05 0.42 -0.54 0.00 0.00 175.26 175.16 2g4g s ILE 73 N 1.34 3.88 -1.39 -3.70 1.01 0.92 -0.76 121.20 122.49 2g4g s ILE 73 Ca 0.05 -0.58 -0.15 0.00 0.00 0.00 0.00 60.65 59.97 2g4g s ILE 73 Cb -0.15 -2.93 0.03 0.00 0.01 0.00 0.00 42.46 39.43 2g4g s ILE 73 CO 0.03 0.19 2.12 0.47 0.00 0.00 0.00 174.94 177.75 2g4g n ASP 74 N 4.86 4.00 0.12 3.58 8.00 -0.30 -1.02 116.55 135.79 2g4g n ASP 74 Ca -0.15 -2.85 -0.00 0.00 0.71 0.00 0.00 54.79 52.50 2g4g n ASP 74 Cb 0.49 -1.65 0.27 0.00 -0.02 0.00 0.00 41.12 40.21 2g4g n ASP 74 CO 0.00 0.00 0.00 0.71 -0.39 0.00 0.00 177.20 177.52 2g4g h THR 75 N 4.34 1.29 0.14 -3.53 1.35 -1.87 -3.10 112.91 111.53 2g4g h THR 75 Ca 0.54 -1.40 0.01 0.00 -0.55 0.00 0.00 66.41 65.00 2g4g h THR 75 Cb 0.69 1.65 -0.02 0.00 -1.73 0.00 0.00 68.15 68.74 2g4g h THR 75 CO 1.81 0.41 -0.15 0.50 -0.25 0.00 0.00 175.52 177.84 2g4g h LYS 76 N 0.14 -0.32 -0.90 4.72 3.64 -1.71 -1.93 116.57 120.21 2g4g h LYS 76 Ca 0.01 0.02 0.05 0.00 -1.27 0.00 0.00 60.65 59.47 2g4g h LYS 76 Cb 0.74 0.07 -0.05 0.00 -0.41 0.00 0.00 32.23 32.57 2g4g h LYS 76 CO 0.06 -0.21 0.59 0.77 -2.27 0.00 0.00 179.45 178.38 2g4g h SER 77 N -0.33 0.93 0.45 4.20 0.02 -1.84 -1.39 113.55 115.59 2g4g h SER 77 Ca 0.01 -0.00 -0.02 0.00 -0.84 0.00 0.00 61.79 60.94 2g4g h SER 77 Cb 0.32 -0.20 -0.00 0.00 0.14 0.00 0.00 62.40 62.65 2g4g h SER 77 CO -0.05 0.62 -0.28 0.22 -1.14 0.00 0.00 176.83 176.20 2g4g h TYR 78 N 1.07 -0.72 -0.73 3.45 3.20 -1.39 -1.99 116.97 119.85 2g4g h TYR 78 Ca 0.37 -0.01 0.01 0.00 3.14 0.00 0.00 58.73 62.24 2g4g h TYR 78 Cb 0.11 0.26 -0.04 0.00 1.54 0.00 0.00 36.73 38.61 2g4g h TYR 78 CO -0.00 -0.42 0.48 -1.49 -1.64 0.00 0.00 178.16 175.09 2g4g h TRP 79 N -0.69 0.92 -0.81 -3.82 4.06 -1.22 -2.81 115.95 111.59 2g4g h TRP 79 Ca -0.05 0.02 0.08 0.00 2.06 0.00 0.00 58.89 61.00 2g4g h TRP 79 Cb 0.57 -0.31 -0.07 0.00 -1.00 0.00 0.00 29.16 28.35 2g4g h TRP 79 CO -0.09 0.58 0.47 0.87 -3.56 0.00 0.00 178.44 176.71 2g4g h LYS 80 N 0.99 0.80 0.00 0.49 1.57 -1.16 -1.12 116.57 118.14 2g4g h LYS 80 Ca 0.27 -0.05 0.00 0.00 -1.87 0.00 0.00 60.65 59.00 2g4g h LYS 80 Cb -0.11 -0.18 0.00 0.00 0.08 0.00 0.00 32.23 32.02 2g4g h LYS 80 CO -0.06 0.53 0.00 0.00 -0.57 0.00 0.00 179.45 179.35 2g4g h ALA 81 N 1.42 1.00 -0.54 3.86 0.00 -1.10 -1.68 119.26 122.23 2g4g h ALA 81 Ca 0.38 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.29 2g4g h ALA 81 Cb 0.28 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.07 2g4g h ALA 81 CO -0.22 0.00 0.00 1.28 0.00 0.00 0.00 179.25 180.31 2g4g n LEU 82 N -2.31 3.58 -0.23 0.00 4.77 -0.53 -4.97 117.00 117.31 2g4g n LEU 82 Ca 0.03 -1.81 -0.03 0.00 -0.03 0.00 0.00 56.01 54.17 2g4g n LEU 82 Cb 0.28 -0.36 -0.01 0.00 -2.33 0.00 0.00 43.42 41.00 2g4g n LEU 82 CO 0.23 0.85 -0.03 0.61 -1.33 0.00 0.00 177.39 177.72 2g4g n GLY 83 N 1.39 0.61 3.58 -0.72 0.00 -0.63 -5.03 105.19 104.39 2g4g n GLY 83 Ca 0.20 -0.46 -0.34 0.00 0.00 0.00 0.00 46.02 45.42 2g4g n GLY 83 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2g4g s ILE 84 N -2.00 3.86 -0.31 -0.61 1.01 -0.56 -5.01 121.20 117.58 2g4g s ILE 84 Ca 0.00 -0.41 -0.27 0.00 0.00 0.00 0.00 60.65 59.97 2g4g s ILE 84 Cb 0.00 -2.62 0.01 0.00 0.01 0.00 0.00 42.46 39.86 2g4g s ILE 84 CO 0.00 0.57 0.96 -0.55 0.00 0.00 0.00 174.94 175.93 2g4g s SER 85 N -0.51 6.85 0.30 3.58 0.15 -1.26 -3.57 113.70 119.23 2g4g s SER 85 Ca 0.08 0.93 0.05 0.00 0.70 0.00 0.00 55.95 57.72 2g4g s SER 85 Cb -0.12 -2.49 -0.02 0.00 -1.71 0.00 0.00 66.02 61.68 2g4g s SER 85 CO 0.02 -0.76 0.44 -2.16 1.20 0.00 0.00 173.24 171.98 2g4g s PRO 86 N 3.34 3.26 -0.20 5.44 0.04 -1.26 -4.89 135.00 140.73 2g4g s PRO 86 Ca 0.40 -0.86 -0.18 0.00 0.04 0.00 0.00 61.00 60.40 2g4g s PRO 86 Cb -0.13 -2.83 -0.15 0.00 0.04 0.00 0.00 34.50 31.43 2g4g s PRO 86 CO 0.13 0.20 0.05 0.34 0.04 0.00 0.00 177.00 177.76 2g4g n PHE 87 N -1.57 0.85 -2.81 0.56 7.35 -0.72 -4.99 117.46 116.12 2g4g n PHE 87 Ca -0.04 0.37 -0.33 0.00 -0.76 0.00 0.00 57.45 56.69 2g4g n PHE 87 Cb 0.58 -1.01 -0.07 0.00 0.35 0.00 0.00 39.48 39.33 2g4g n PHE 87 CO 0.00 0.00 0.00 -1.01 -0.76 0.00 0.00 176.76 174.99 2g4g s HIS 88 N -2.37 3.32 0.12 -5.13 3.76 -1.26 -4.98 115.29 108.74 2g4g s HIS 88 Ca -0.28 1.62 -0.14 0.00 -0.15 0.00 0.00 55.06 56.11 2g4g s HIS 88 Cb 0.06 -2.86 -0.05 0.00 1.11 0.00 0.00 32.58 30.84 2g4g s HIS 88 CO 0.51 -0.12 1.49 0.93 -0.85 0.00 0.00 174.74 176.70 2g4g h GLU 89 N 1.98 0.76 -2.63 1.40 4.39 -1.97 -3.36 114.58 115.14 2g4g h GLU 89 Ca -0.49 -0.33 0.12 0.00 0.34 0.00 0.00 59.36 59.00 2g4g h GLU 89 Cb 1.18 -0.02 -0.05 0.00 -0.10 0.00 0.00 28.75 29.75 2g4g h GLU 89 CO 0.61 0.94 0.40 -3.38 -1.16 0.00 0.00 179.01 176.43 2g4g s HIS 90 N -4.64 -0.08 -0.11 4.33 -3.43 -1.26 -3.46 115.29 106.63 2g4g s HIS 90 Ca -0.12 -0.33 -0.06 0.00 -0.80 0.00 0.00 55.06 53.75 2g4g s HIS 90 Cb 0.10 0.70 -0.04 0.00 -1.43 0.00 0.00 32.58 31.90 2g4g s HIS 90 CO 0.82 -1.05 0.12 0.00 -2.00 0.00 0.00 174.74 172.62 2g4g s ALA 91 N -3.17 3.77 -0.08 -1.38 0.00 -0.19 -4.89 121.76 115.83 2g4g s ALA 91 Ca 0.14 -0.67 0.04 0.00 0.00 0.00 0.00 51.96 51.46 2g4g s ALA 91 Cb -0.03 -1.88 0.00 0.00 0.00 0.00 0.00 23.12 21.21 2g4g s ALA 91 CO 0.05 0.61 -0.20 -1.21 0.00 0.00 0.00 175.76 175.02 2g4g s GLU 92 N -1.00 2.45 -0.18 0.00 2.02 -1.26 -0.05 118.70 120.69 2g4g s GLU 92 Ca 0.15 -0.71 0.01 0.00 0.02 0.00 0.00 54.97 54.44 2g4g s GLU 92 Cb -0.12 -1.93 0.02 0.00 0.10 0.00 0.00 34.13 32.20 2g4g s GLU 92 CO 0.04 0.16 -0.19 0.08 0.02 0.00 0.00 175.26 175.36 2g4g s VAL 93 N 0.36 1.99 -0.13 2.63 1.01 0.77 -4.97 120.40 122.07 2g4g s VAL 93 Ca -0.15 -0.90 0.02 0.00 0.00 0.00 0.00 61.98 60.95 2g4g s VAL 93 Cb -0.16 -1.81 0.01 0.00 0.00 0.00 0.00 36.38 34.42 2g4g s VAL 93 CO 0.06 0.52 -0.18 -0.69 0.00 0.00 0.00 175.10 174.82 2g4g s VAL 94 N 1.32 1.73 0.10 2.92 1.01 -1.26 0.17 120.40 126.38 2g4g s VAL 94 Ca 0.05 -0.77 -0.19 0.00 0.00 0.00 0.00 61.98 61.07 2g4g s VAL 94 Cb -0.13 -1.56 0.05 0.00 0.00 0.00 0.00 36.38 34.73 2g4g s VAL 94 CO -0.13 0.49 0.46 0.72 0.00 0.00 0.00 175.10 176.64 2g4g s PHE 95 N 0.99 -0.32 -0.16 5.22 -0.71 -0.29 -4.99 117.98 117.72 2g4g s PHE 95 Ca -0.05 0.15 -0.16 0.00 -1.04 0.00 0.00 56.93 55.83 2g4g s PHE 95 Cb -0.15 0.32 -0.04 0.00 -1.21 0.00 0.00 43.02 41.94 2g4g s PHE 95 CO -0.03 -0.69 0.41 0.99 -1.34 0.00 0.00 175.22 174.56 2g4g s THR 96 N -3.26 5.22 0.01 -4.49 2.01 -1.26 -0.05 115.64 113.81 2g4g s THR 96 Ca -0.01 0.78 -0.28 0.00 0.31 0.00 0.00 61.69 62.50 2g4g s THR 96 Cb 0.00 -3.75 -0.04 0.00 0.01 0.00 0.00 72.50 68.73 2g4g s THR 96 CO -0.08 0.31 0.88 0.00 -0.69 0.00 0.00 174.62 175.05 2g4g s ALA 97 N 0.83 3.24 -0.07 7.40 0.00 0.25 -4.95 121.76 128.45 2g4g s ALA 97 Ca 0.22 0.42 0.00 0.00 0.00 0.00 0.00 51.96 52.60 2g4g s ALA 97 Cb -0.14 -3.20 0.02 0.00 0.00 0.00 0.00 23.12 19.80 2g4g s ALA 97 CO 0.08 -0.14 -0.06 1.21 0.00 0.00 0.00 175.76 176.86 2g4g s ASN 98 N 0.69 1.55 0.00 0.00 3.04 -1.26 -3.12 114.94 115.84 2g4g s ASN 98 Ca 0.46 -0.19 0.00 0.00 0.04 0.00 0.00 52.86 53.17 2g4g s ASN 98 Cb -0.20 -0.61 0.00 0.00 -1.54 0.00 0.00 41.25 38.89 2g4g s ASN 98 CO 0.25 -0.09 0.32 0.47 -3.04 0.00 0.00 177.10 175.02 2g4g n ASP 99 N 4.49 0.00 -0.43 -4.21 8.00 -1.26 -4.91 116.55 118.23 2g4g n ASP 99 Ca -0.17 0.47 0.00 0.00 0.71 0.00 0.00 54.79 55.80 2g4g n ASP 99 Cb 0.51 -0.25 0.00 0.00 -0.02 0.00 0.00 41.12 41.35 2g4g n ASP 99 CO 0.00 0.00 0.00 -1.20 -0.39 0.00 0.00 177.20 175.61 2g4g n SER 100 N -1.26 0.00 0.00 -2.24 7.64 -1.26 -4.41 113.62 112.09 2g4g n SER 100 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.88 2g4g n SER 100 Cb 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.20 2g4g n SER 100 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2g4g n GLY 101 N 0.22 -1.49 3.76 0.23 0.00 -1.26 -4.92 105.19 101.72 2g4g n GLY 101 Ca 0.00 -1.57 -0.40 0.00 0.00 0.00 0.00 46.02 44.05 2g4g n GLY 101 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 2g4g s PRO 102 N -2.09 4.52 -0.13 1.61 0.02 -1.26 -5.04 135.00 132.63 2g4g s PRO 102 Ca 0.00 1.97 -0.04 0.00 0.02 0.00 0.00 61.00 62.96 2g4g s PRO 102 Cb 0.00 -3.14 0.06 0.00 0.02 0.00 0.00 34.50 31.44 2g4g s PRO 102 CO 0.00 0.03 0.15 1.03 -0.33 0.00 0.00 177.00 177.88 2g4g s ARG 103 N -1.51 0.07 -0.21 5.54 0.52 -1.26 -4.58 118.95 117.52 2g4g s ARG 103 Ca 0.47 0.29 -0.16 0.00 -0.52 0.00 0.00 55.73 55.81 2g4g s ARG 103 Cb -0.35 -0.93 -0.04 0.00 0.52 0.00 0.00 34.95 34.15 2g4g s ARG 103 CO 0.45 -0.49 0.40 1.03 0.02 0.00 0.00 175.30 176.71 2g4g s ARG 104 N 2.25 4.15 -0.25 3.54 0.52 -0.39 -4.77 118.95 124.00 2g4g s ARG 104 Ca 0.04 0.19 -0.10 0.00 -0.52 0.00 0.00 55.73 55.34 2g4g s ARG 104 Cb -0.14 -3.56 -0.04 0.00 0.52 0.00 0.00 34.95 31.73 2g4g s ARG 104 CO -0.08 -0.09 0.14 0.71 0.02 0.00 0.00 175.30 176.00 2g4g s TYR 105 N 1.47 3.24 -0.27 -0.53 1.51 0.36 -1.49 117.35 121.63 2g4g s TYR 105 Ca 0.19 0.06 -0.04 0.00 -1.01 0.00 0.00 57.07 56.26 2g4g s TYR 105 Cb -0.15 -2.27 0.02 0.00 -0.11 0.00 0.00 41.96 39.45 2g4g s TYR 105 CO 0.08 -0.07 0.02 0.99 -1.11 0.00 0.00 175.55 175.46 2g4g s THR 106 N 1.28 3.48 -0.41 -0.71 2.01 0.85 -0.91 115.64 121.23 2g4g s THR 106 Ca 0.07 -0.84 -0.17 0.00 0.31 0.00 0.00 61.69 61.06 2g4g s THR 106 Cb -0.14 -2.78 0.02 0.00 0.01 0.00 0.00 72.50 69.60 2g4g s THR 106 CO 0.06 0.14 0.45 -0.63 -0.69 0.00 0.00 174.62 173.94 2g4g s ILE 107 N 1.42 5.08 -0.03 1.82 -1.09 0.26 -0.44 121.20 128.21 2g4g s ILE 107 Ca 0.01 -0.22 -0.00 0.00 -2.23 0.00 0.00 60.65 58.21 2g4g s ILE 107 Cb -0.17 -4.02 -0.04 0.00 -1.58 0.00 0.00 42.46 36.66 2g4g s ILE 107 CO -0.01 -0.38 0.01 0.00 -1.23 0.00 0.00 174.94 173.34 2g4g s ALA 108 N 2.18 3.33 0.01 9.38 0.00 -0.36 -0.95 121.76 135.35 2g4g s ALA 108 Ca 0.13 -0.89 0.01 0.00 0.00 0.00 0.00 51.96 51.22 2g4g s ALA 108 Cb -0.17 -1.43 -0.01 0.00 0.00 0.00 0.00 23.12 21.52 2g4g s ALA 108 CO 0.14 0.63 -0.05 0.00 0.00 0.00 0.00 175.76 176.48 2g4g s ALA 109 N -1.03 0.36 -0.18 0.00 0.00 0.26 -1.48 121.76 119.69 2g4g s ALA 109 Ca 0.18 -0.29 0.01 0.00 0.00 0.00 0.00 51.96 51.85 2g4g s ALA 109 Cb -0.12 -0.05 0.03 0.00 0.00 0.00 0.00 23.12 22.98 2g4g s ALA 109 CO 0.08 0.05 -0.14 -1.17 0.00 0.00 0.00 175.76 174.58 2g4g s LEU 110 N -0.41 2.11 -0.18 0.00 2.96 -0.10 -0.91 118.68 122.15 2g4g s LEU 110 Ca -0.01 -0.72 -0.06 0.00 -0.22 0.00 0.00 54.13 53.12 2g4g s LEU 110 Cb -0.03 -1.30 -0.04 0.00 0.50 0.00 0.00 46.19 45.32 2g4g s LEU 110 CO -0.00 -0.08 0.03 -0.76 -1.32 0.00 0.00 176.35 174.23 2g4g s LEU 111 N 1.38 3.61 0.27 -0.68 1.43 -0.19 -1.60 118.68 122.89 2g4g s LEU 111 Ca 0.02 -0.02 0.10 0.00 -1.03 0.00 0.00 54.13 53.21 2g4g s LEU 111 Cb -0.14 -1.91 -0.05 0.00 0.03 0.00 0.00 46.19 44.12 2g4g s LEU 111 CO -0.10 0.15 -0.16 -0.44 0.23 0.00 0.00 176.35 176.03 2g4g s SER 112 N 0.53 3.28 0.29 2.29 0.01 0.51 -0.97 113.70 119.63 2g4g s SER 112 Ca 0.01 -1.07 0.02 0.00 1.31 0.00 0.00 55.95 56.23 2g4g s SER 112 Cb -0.13 -0.25 0.62 0.00 0.21 0.00 0.00 66.02 66.46 2g4g s SER 112 CO 0.01 -0.08 1.80 -0.65 0.41 0.00 0.00 173.24 174.73 2g4g h PRO 113 N 2.31 0.81 -0.15 12.44 0.11 -1.99 -2.98 132.00 142.55 2g4g h PRO 113 Ca -0.40 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 65.66 2g4g h PRO 113 Cb 1.25 -0.18 0.00 0.00 0.11 0.00 0.00 31.00 32.17 2g4g h PRO 113 CO 0.63 0.53 0.00 0.66 -0.21 0.00 0.00 178.00 179.61 2g4g n TYR 114 N -4.73 0.32 -3.59 0.65 4.02 -1.26 -1.76 117.16 110.81 2g4g n TYR 114 Ca 0.20 -0.68 -0.16 0.00 -0.01 0.00 0.00 57.90 57.25 2g4g n TYR 114 Cb 0.45 -0.12 -0.07 0.00 -0.02 0.00 0.00 39.34 39.59 2g4g n TYR 114 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 176.86 176.30 2g4g s SER 115 N -1.58 -0.59 0.09 7.72 0.15 -1.12 -5.01 113.70 113.36 2g4g s SER 115 Ca 0.21 0.76 -0.14 0.00 0.70 0.00 0.00 55.95 57.49 2g4g s SER 115 Cb 0.16 0.69 0.02 0.00 -1.71 0.00 0.00 66.02 65.18 2g4g s SER 115 CO 0.07 -0.49 0.33 -0.72 1.20 0.00 0.00 173.24 173.62 2g4g s TYR 116 N -0.85 -0.10 0.05 3.44 -0.85 -1.26 -0.36 117.35 117.41 2g4g s TYR 116 Ca -0.09 -0.18 0.06 0.00 -0.52 0.00 0.00 57.07 56.35 2g4g s TYR 116 Cb -0.02 0.14 -0.03 0.00 0.38 0.00 0.00 41.96 42.44 2g4g s TYR 116 CO 0.07 -0.61 -0.18 0.45 -1.52 0.00 0.00 175.55 173.76 2g4g s SER 117 N -2.59 2.15 0.01 -0.18 0.15 -0.62 -4.98 113.70 107.64 2g4g s SER 117 Ca 0.01 -0.52 0.02 0.00 0.70 0.00 0.00 55.95 56.16 2g4g s SER 117 Cb 0.02 -0.15 -0.01 0.00 -1.71 0.00 0.00 66.02 64.16 2g4g s SER 117 CO -0.09 0.09 -0.07 0.28 1.20 0.00 0.00 173.24 174.65 2g4g s THR 118 N -0.88 0.52 0.05 6.45 -1.32 -1.26 -0.92 115.64 118.28 2g4g s THR 118 Ca 0.05 -0.52 0.02 0.00 -1.21 0.00 0.00 61.69 60.03 2g4g s THR 118 Cb -0.09 -0.48 -0.03 0.00 -1.51 0.00 0.00 72.50 70.39 2g4g s THR 118 CO 0.02 -0.02 -0.07 0.28 -2.21 0.00 0.00 174.62 172.62 2g4g s THR 119 N -0.51 0.55 -0.20 5.08 -1.32 -0.55 -5.00 115.64 113.70 2g4g s THR 119 Ca -0.01 -1.29 -0.05 0.00 -1.21 0.00 0.00 61.69 59.14 2g4g s THR 119 Cb -0.05 -0.86 -0.02 0.00 -1.51 0.00 0.00 72.50 70.06 2g4g s THR 119 CO 0.00 -0.51 -0.01 0.00 -2.21 0.00 0.00 174.62 171.88 2g4g s ALA 120 N -1.95 2.98 -0.32 11.08 0.00 -1.26 -1.22 121.76 131.06 2g4g s ALA 120 Ca -0.05 -1.00 -0.05 0.00 0.00 0.00 0.00 51.96 50.87 2g4g s ALA 120 Cb -0.06 -1.72 0.04 0.00 0.00 0.00 0.00 23.12 21.38 2g4g s ALA 120 CO -0.01 -0.14 0.06 0.08 0.00 0.00 0.00 175.76 175.75 2g4g s VAL 121 N 0.99 3.47 -0.26 0.00 1.01 0.42 -4.96 120.40 121.05 2g4g s VAL 121 Ca 0.01 -1.22 -0.02 0.00 0.00 0.00 0.00 61.98 60.75 2g4g s VAL 121 Cb -0.14 -2.97 0.03 0.00 0.00 0.00 0.00 36.38 33.30 2g4g s VAL 121 CO 0.01 -0.14 -0.04 -0.69 0.00 0.00 0.00 175.10 174.24 2g4g s VAL 122 N 1.34 2.94 0.22 2.92 1.01 -1.26 -0.10 120.40 127.48 2g4g s VAL 122 Ca -0.03 -1.11 -0.00 0.00 0.00 0.00 0.00 61.98 60.84 2g4g s VAL 122 Cb -0.20 -2.55 -0.04 0.00 0.00 0.00 0.00 36.38 33.59 2g4g s VAL 122 CO 0.01 0.11 0.12 0.42 0.00 0.00 0.00 175.10 175.76 2g4g s THR 123 N 1.31 0.20 -1.48 3.92 -4.23 -0.55 -4.96 115.64 109.85 2g4g s THR 123 Ca -0.01 -2.00 0.12 0.00 -1.18 0.00 0.00 61.69 58.61 2g4g s THR 123 Cb -0.18 -2.55 0.09 0.00 1.34 0.00 0.00 72.50 71.21 2g4g s THR 123 CO -0.03 0.00 0.87 0.59 -0.54 0.00 0.00 174.62 175.51