#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2g3x n PRO 11 N 0.00 0.24 -3.64 0.00 -0.04 -1.26 -4.77 135.00 125.52 2g3x n PRO 11 Ca 0.00 0.14 -0.20 0.00 -0.04 0.00 0.00 63.50 63.40 2g3x n PRO 11 Cb 0.00 -1.72 -0.16 0.00 -0.04 0.00 0.00 33.50 31.57 2g3x n PRO 11 CO 0.00 0.00 0.00 -1.17 -0.04 0.00 0.00 175.50 174.29 2g3x s LEU 12 N -4.22 0.08 0.10 1.53 2.96 -1.25 -0.09 118.68 117.79 2g3x s LEU 12 Ca 0.09 -0.01 0.05 0.00 -0.22 0.00 0.00 54.13 54.04 2g3x s LEU 12 Cb 0.13 0.03 -0.03 0.00 0.50 0.00 0.00 46.19 46.82 2g3x s LEU 12 CO 0.64 -0.28 -0.12 -0.04 -1.32 0.00 0.00 176.35 175.23 2g3x s MET 13 N 2.22 0.88 -0.03 1.98 -1.94 0.03 -4.36 119.30 118.09 2g3x s MET 13 Ca 0.04 -1.11 0.04 0.00 -1.71 0.00 0.00 55.69 52.94 2g3x s MET 13 Cb -0.13 -0.71 -0.00 0.00 2.01 0.00 0.00 34.83 36.00 2g3x s MET 13 CO -0.06 0.13 -0.13 0.08 -0.01 0.00 0.00 175.02 175.03 2g3x s VAL 14 N -2.01 1.06 -0.05 -6.03 1.01 -1.00 -0.98 120.40 112.41 2g3x s VAL 14 Ca 0.04 -0.53 0.03 0.00 0.00 0.00 0.00 61.98 61.52 2g3x s VAL 14 Cb -0.06 -0.91 0.00 0.00 0.00 0.00 0.00 36.38 35.42 2g3x s VAL 14 CO 0.02 0.31 -0.13 -0.75 0.00 0.00 0.00 175.10 174.55 2g3x s LYS 15 N -0.01 1.47 -0.04 2.72 2.20 -0.49 -0.61 119.74 124.99 2g3x s LYS 15 Ca -0.01 -0.43 0.03 0.00 -0.36 0.00 0.00 55.97 55.19 2g3x s LYS 15 Cb -0.08 -1.28 0.01 0.00 -1.51 0.00 0.00 37.83 34.97 2g3x s LYS 15 CO 0.01 0.12 -0.11 0.08 -0.36 0.00 0.00 175.35 175.09 2g3x s VAL 16 N 0.32 0.95 0.12 4.02 1.01 -0.29 -1.02 120.40 125.51 2g3x s VAL 16 Ca -0.07 -0.42 0.11 0.00 0.00 0.00 0.00 61.98 61.59 2g3x s VAL 16 Cb -0.12 -0.85 -0.04 0.00 0.00 0.00 0.00 36.38 35.37 2g3x s VAL 16 CO 0.02 0.30 -0.27 -0.76 0.00 0.00 0.00 175.10 174.39 2g3x s LEU 17 N 0.37 2.32 -0.32 3.92 1.43 -0.10 -0.82 118.68 125.48 2g3x s LEU 17 Ca -0.07 -0.73 -0.08 0.00 -1.03 0.00 0.00 54.13 52.22 2g3x s LEU 17 Cb -0.12 -1.24 0.01 0.00 0.03 0.00 0.00 46.19 44.88 2g3x s LEU 17 CO 0.02 0.19 0.11 -0.62 0.23 0.00 0.00 176.35 176.28 2g3x s ASP 18 N -1.98 5.31 0.06 2.29 -1.08 0.42 -1.01 116.67 120.69 2g3x s ASP 18 Ca 0.14 -0.79 0.27 0.00 -0.52 0.00 0.00 52.55 51.64 2g3x s ASP 18 Cb -0.10 -1.92 1.06 0.00 -1.46 0.00 0.00 42.92 40.51 2g3x s ASP 18 CO 0.06 -0.24 1.84 0.00 0.52 0.00 0.00 175.17 177.34 2g3x n ALA 19 N 4.89 2.23 0.03 3.66 0.00 -0.16 -1.12 120.51 130.05 2g3x n ALA 19 Ca -0.14 -0.07 -0.21 0.00 0.00 0.00 0.00 53.44 53.03 2g3x n ALA 19 Cb 0.47 -1.44 -0.14 0.00 0.00 0.00 0.00 19.45 18.34 2g3x n ALA 19 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 2g3x h VAL 20 N 0.00 0.80 0.00 0.00 2.07 -1.95 -3.38 116.25 113.79 2g3x h VAL 20 Ca 0.00 -2.47 0.00 0.00 0.82 0.00 0.00 66.70 65.05 2g3x h VAL 20 Cb 0.53 2.61 0.00 0.00 -1.52 0.00 0.00 31.29 32.91 2g3x h VAL 20 CO 0.00 0.85 -1.11 0.54 0.02 0.00 0.00 177.57 177.87 2g3x n ARG 21 N -3.48 0.09 -3.10 1.57 1.74 -1.23 -5.00 116.66 107.24 2g3x n ARG 21 Ca -0.27 -0.02 -0.13 0.00 -0.77 0.00 0.00 57.85 56.66 2g3x n ARG 21 Cb 1.06 -1.50 0.07 0.00 -1.02 0.00 0.00 32.46 31.07 2g3x n ARG 21 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2g3x n GLY 22 N 1.47 -0.29 3.69 -0.13 0.00 -0.28 -5.02 105.19 104.64 2g3x n GLY 22 Ca 0.03 0.05 -0.09 0.00 0.00 0.00 0.00 46.02 46.01 2g3x n GLY 22 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2g3x s SER 23 N -3.95 -0.06 0.62 1.61 1.04 -1.10 -5.01 113.70 106.85 2g3x s SER 23 Ca 0.06 -0.89 -0.16 0.00 0.48 0.00 0.00 55.95 55.44 2g3x s SER 23 Cb -0.01 0.67 -0.02 0.00 0.10 0.00 0.00 66.02 66.76 2g3x s SER 23 CO 0.58 -1.28 1.10 -2.16 0.98 0.00 0.00 173.24 172.46 2g3x s PRO 24 N -3.72 3.04 -0.47 4.02 0.04 -1.26 -0.43 135.00 136.21 2g3x s PRO 24 Ca 0.19 1.39 -0.20 0.00 0.04 0.00 0.00 61.00 62.42 2g3x s PRO 24 Cb -0.03 -1.98 0.04 0.00 0.04 0.00 0.00 34.50 32.57 2g3x s PRO 24 CO 0.10 -1.06 0.64 0.00 0.04 0.00 0.00 177.00 176.71 2g3x s ALA 25 N -2.24 3.35 0.09 8.56 0.00 0.00 -4.61 121.76 126.92 2g3x s ALA 25 Ca 0.67 -1.43 -0.14 0.00 0.00 0.00 0.00 51.96 51.06 2g3x s ALA 25 Cb -0.20 -3.33 -0.06 0.00 0.00 0.00 0.00 23.12 19.53 2g3x s ALA 25 CO 0.37 -1.89 0.49 0.42 0.00 0.00 0.00 175.76 175.15 2g3x s ILE 26 N 2.77 4.93 -1.49 0.00 1.01 -1.26 -4.36 121.20 122.80 2g3x s ILE 26 Ca 0.19 0.81 -0.07 0.00 0.00 0.00 0.00 60.65 61.59 2g3x s ILE 26 Cb -0.16 -3.74 0.01 0.00 0.01 0.00 0.00 42.46 38.59 2g3x s ILE 26 CO 0.16 0.37 0.82 0.59 0.00 0.00 0.00 174.94 176.88 2g3x n ASN 27 N 1.18 -6.16 -4.73 3.58 3.02 -0.73 -4.95 115.26 106.46 2g3x n ASN 27 Ca -0.08 -0.39 -0.39 0.00 -0.03 0.00 0.00 54.58 53.69 2g3x n ASN 27 Cb 0.52 -4.93 -0.05 0.00 -0.61 0.00 0.00 39.78 34.71 2g3x n ASN 27 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 2g3x s VAL 28 N -3.23 5.07 0.19 2.41 1.01 -1.26 -4.75 120.40 119.84 2g3x s VAL 28 Ca 0.41 1.19 -0.30 0.00 0.00 0.00 0.00 61.98 63.29 2g3x s VAL 28 Cb -0.18 -3.92 -0.08 0.00 0.00 0.00 0.00 36.38 32.20 2g3x s VAL 28 CO 0.51 0.32 0.99 0.00 0.00 0.00 0.00 175.10 176.93 2g3x s ALA 29 N 0.48 3.32 -0.05 5.51 0.00 -1.26 -1.42 121.76 128.34 2g3x s ALA 29 Ca 0.31 0.67 0.02 0.00 0.00 0.00 0.00 51.96 52.96 2g3x s ALA 29 Cb -0.17 -3.27 0.01 0.00 0.00 0.00 0.00 23.12 19.70 2g3x s ALA 29 CO 0.15 0.02 -0.09 0.08 0.00 0.00 0.00 175.76 175.91 2g3x s VAL 30 N -0.63 0.89 -0.04 0.00 1.01 0.06 -1.31 120.40 120.38 2g3x s VAL 30 Ca 0.45 -0.35 0.06 0.00 0.00 0.00 0.00 61.98 62.14 2g3x s VAL 30 Cb -0.26 -0.83 -0.01 0.00 0.00 0.00 0.00 36.38 35.27 2g3x s VAL 30 CO 0.33 0.29 -0.24 -1.00 0.00 0.00 0.00 175.10 174.48 2g3x s HIS 31 N 0.62 2.32 -0.06 5.22 3.76 -0.06 -1.67 115.29 125.42 2g3x s HIS 31 Ca -0.11 -0.61 0.05 0.00 -0.15 0.00 0.00 55.06 54.24 2g3x s HIS 31 Cb -0.14 -1.52 -0.01 0.00 1.11 0.00 0.00 32.58 32.03 2g3x s HIS 31 CO 0.02 -0.16 -0.23 0.08 -0.85 0.00 0.00 174.74 173.60 2g3x s VAL 32 N -0.28 1.93 0.20 -0.90 1.01 0.69 -0.37 120.40 122.68 2g3x s VAL 32 Ca 0.00 -0.98 0.08 0.00 0.00 0.00 0.00 61.98 61.08 2g3x s VAL 32 Cb -0.12 -1.65 -0.05 0.00 0.00 0.00 0.00 36.38 34.57 2g3x s VAL 32 CO 0.02 0.54 -0.16 -0.36 0.00 0.00 0.00 175.10 175.14 2g3x s PHE 33 N 0.01 1.76 -0.05 5.22 0.40 -0.16 -0.96 117.98 124.20 2g3x s PHE 33 Ca -0.07 -0.53 0.03 0.00 -0.60 0.00 0.00 56.93 55.75 2g3x s PHE 33 Cb -0.14 -0.83 0.01 0.00 0.51 0.00 0.00 43.02 42.57 2g3x s PHE 33 CO 0.05 0.37 -0.13 0.50 0.70 0.00 0.00 175.22 176.71 2g3x s ARG 34 N -3.43 1.54 0.11 0.44 3.52 0.04 -0.96 118.95 120.22 2g3x s ARG 34 Ca 0.21 -0.43 -0.31 0.00 -0.13 0.00 0.00 55.73 55.07 2g3x s ARG 34 Cb -0.02 -1.32 -0.08 0.00 -1.56 0.00 0.00 34.95 31.97 2g3x s ARG 34 CO 0.07 0.10 1.35 0.21 -0.81 0.00 0.00 175.30 176.22 2g3x s LYS 35 N 0.40 4.35 0.65 5.12 2.20 -0.03 -0.92 119.74 131.51 2g3x s LYS 35 Ca -0.09 2.02 -0.02 0.00 -0.36 0.00 0.00 55.97 57.52 2g3x s LYS 35 Cb -0.13 -3.26 0.07 0.00 -1.51 0.00 0.00 37.83 33.00 2g3x s LYS 35 CO 0.03 -0.38 0.92 0.00 -0.36 0.00 0.00 175.35 175.55 2g3x s ALA 36 N 0.98 3.60 0.27 3.13 0.00 0.66 -4.74 121.76 125.67 2g3x s ALA 36 Ca 0.63 -1.34 -0.02 0.00 0.00 0.00 0.00 51.96 51.22 2g3x s ALA 36 Cb -0.35 -2.21 0.41 0.00 0.00 0.00 0.00 23.12 20.97 2g3x s ALA 36 CO 0.31 -1.15 1.90 0.00 0.00 0.00 0.00 175.76 176.82 2g3x h ALA 37 N -0.33 1.41 0.00 0.00 0.00 -1.95 -1.27 119.26 117.12 2g3x h ALA 37 Ca -0.41 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.47 2g3x h ALA 37 Cb 1.29 -0.32 0.00 0.00 0.00 0.00 0.00 17.79 18.76 2g3x h ALA 37 CO 0.50 0.47 0.00 -0.40 0.00 0.00 0.00 179.25 179.82 2g3x n ASP 38 N -4.47 0.00 0.00 0.00 5.68 -1.26 -4.85 116.55 111.65 2g3x n ASP 38 Ca 0.14 -1.77 0.00 0.00 -0.50 0.00 0.00 54.79 52.66 2g3x n ASP 38 Cb 0.15 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.13 2g3x n ASP 38 CO 0.00 0.00 0.00 -0.67 -1.33 0.00 0.00 177.20 175.20 2g3x n ASP 39 N -0.56 -2.60 -4.95 -1.12 2.03 -0.48 -5.04 116.55 103.84 2g3x n ASP 39 Ca 0.03 0.00 -0.23 0.00 0.52 0.00 0.00 54.79 55.10 2g3x n ASP 39 Cb 0.01 -0.48 -0.01 0.00 -0.72 0.00 0.00 41.12 39.93 2g3x n ASP 39 CO 0.00 0.00 0.00 0.42 -1.92 0.00 0.00 177.20 175.70 2g3x s THR 40 N -2.27 4.93 -0.31 5.18 -4.23 -1.26 -4.80 115.64 112.87 2g3x s THR 40 Ca 0.00 -0.51 -0.17 0.00 -1.18 0.00 0.00 61.69 59.83 2g3x s THR 40 Cb 0.00 -3.80 -0.02 0.00 1.34 0.00 0.00 72.50 70.03 2g3x s THR 40 CO 0.00 -0.51 0.47 0.26 -0.54 0.00 0.00 174.62 174.30 2g3x s TRP 41 N -2.33 3.21 -0.13 3.99 0.52 -1.26 -0.24 118.94 122.70 2g3x s TRP 41 Ca 0.41 0.30 -0.13 0.00 0.02 0.00 0.00 56.10 56.71 2g3x s TRP 41 Cb -0.10 -2.78 -0.05 0.00 -1.15 0.00 0.00 33.47 29.40 2g3x s TRP 41 CO 0.36 -0.41 0.28 -2.00 0.02 0.00 0.00 176.95 175.20 2g3x s GLU 42 N 2.27 4.04 0.35 4.98 2.56 -0.09 -4.89 118.70 127.92 2g3x s GLU 42 Ca 0.18 0.10 -0.28 0.00 0.00 0.00 0.00 54.97 54.96 2g3x s GLU 42 Cb -0.16 -3.34 -0.12 0.00 2.00 0.00 0.00 34.13 32.51 2g3x s GLU 42 CO 0.12 0.42 1.39 -2.30 -0.56 0.00 0.00 175.26 174.33 2g3x n PRO 43 N 2.96 2.38 0.00 4.30 -0.02 -1.26 -0.78 135.00 142.58 2g3x n PRO 43 Ca -0.14 0.83 -0.00 0.00 -2.02 0.00 0.00 63.50 62.17 2g3x n PRO 43 Cb 0.52 -2.49 -0.00 0.00 -0.02 0.00 0.00 33.50 31.51 2g3x n PRO 43 CO 0.00 0.00 0.00 0.34 1.98 0.00 0.00 175.50 177.82 2g3x n PHE 44 N 0.58 0.00 -3.54 6.00 7.35 -0.14 -4.75 117.46 122.95 2g3x n PHE 44 Ca 0.04 0.00 -0.08 0.00 -0.76 0.00 0.00 57.45 56.65 2g3x n PHE 44 Cb 0.37 -0.01 -0.02 0.00 0.35 0.00 0.00 39.48 40.17 2g3x n PHE 44 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 2g3x s ALA 45 N -2.00 -1.77 0.19 3.13 0.00 -1.00 -5.02 121.76 115.29 2g3x s ALA 45 Ca -0.00 0.79 -0.22 0.00 0.00 0.00 0.00 51.96 52.53 2g3x s ALA 45 Cb 0.00 0.50 0.05 0.00 0.00 0.00 0.00 23.12 23.68 2g3x s ALA 45 CO 0.00 -0.76 0.61 -1.54 0.00 0.00 0.00 175.76 174.08 2g3x s SER 46 N -2.59 -0.45 0.00 0.00 1.04 -1.26 -0.22 113.70 110.21 2g3x s SER 46 Ca 0.06 -0.20 0.00 0.00 0.48 0.00 0.00 55.95 56.28 2g3x s SER 46 Cb -0.01 0.63 0.00 0.00 0.10 0.00 0.00 66.02 66.73 2g3x s SER 46 CO -0.07 -1.07 0.00 0.61 0.98 0.00 0.00 173.24 173.69 2g3x n GLY 47 N -0.39 0.56 3.06 7.32 0.00 -0.67 -4.97 105.19 110.10 2g3x n GLY 47 Ca -0.13 -0.79 -0.17 0.00 0.00 0.00 0.00 46.02 44.93 2g3x n GLY 47 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2g3x s LYS 48 N -1.58 0.69 0.57 1.61 1.02 -1.26 -0.76 119.74 120.03 2g3x s LYS 48 Ca 0.00 -0.55 -0.19 0.00 0.02 0.00 0.00 55.97 55.25 2g3x s LYS 48 Cb 0.00 -0.62 -0.05 0.00 -0.52 0.00 0.00 37.83 36.64 2g3x s LYS 48 CO 0.00 0.16 1.17 0.95 -0.92 0.00 0.00 175.35 176.70 2g3x s THR 49 N -0.69 2.89 0.09 2.17 -4.23 -0.50 -4.75 115.64 110.62 2g3x s THR 49 Ca -0.01 0.55 -0.01 0.00 -1.18 0.00 0.00 61.69 61.05 2g3x s THR 49 Cb -0.06 -3.22 0.02 0.00 1.34 0.00 0.00 72.50 70.58 2g3x s THR 49 CO 0.00 -0.12 0.12 -1.54 -0.54 0.00 0.00 174.62 172.54 2g3x n SER 50 N -1.47 0.06 0.20 3.99 3.41 0.16 -1.78 113.62 118.19 2g3x n SER 50 Ca 0.13 -1.07 0.15 0.00 -0.26 0.00 0.00 58.87 57.81 2g3x n SER 50 Cb 0.50 -0.09 0.64 0.00 -0.26 0.00 0.00 64.21 65.01 2g3x n SER 50 CO 0.00 0.00 0.00 -0.33 -0.16 0.00 0.00 175.04 174.55 2g3x h GLU 51 N 0.00 0.00 -0.15 4.33 4.39 -1.94 -0.78 114.58 120.43 2g3x h GLU 51 Ca -0.04 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.66 2g3x h GLU 51 Cb 0.12 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.77 2g3x h GLU 51 CO 0.03 0.00 0.00 -1.13 -1.16 0.00 0.00 179.01 176.75 2g3x n SER 52 N -2.59 2.54 -0.03 1.42 3.41 -1.26 -4.84 113.62 112.27 2g3x n SER 52 Ca 0.01 -1.83 -0.00 0.00 -0.26 0.00 0.00 58.87 56.78 2g3x n SER 52 Cb 0.21 -0.09 -0.00 0.00 -0.26 0.00 0.00 64.21 64.07 2g3x n SER 52 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2g3x n GLY 53 N 1.31 0.47 3.65 5.00 0.00 -0.30 -4.81 105.19 110.52 2g3x n GLY 53 Ca 0.17 -0.34 -0.30 0.00 0.00 0.00 0.00 46.02 45.55 2g3x n GLY 53 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2g3x s GLU 54 N -0.78 2.41 -0.21 1.61 2.02 -1.26 -1.14 118.70 121.35 2g3x s GLU 54 Ca 0.00 -0.92 -0.01 0.00 0.02 0.00 0.00 54.97 54.07 2g3x s GLU 54 Cb 0.00 -2.46 0.06 0.00 0.10 0.00 0.00 34.13 31.83 2g3x s GLU 54 CO 0.00 0.52 -0.03 -1.17 0.02 0.00 0.00 175.26 174.61 2g3x s LEU 55 N -2.35 1.99 0.42 1.80 2.96 0.22 -0.67 118.68 123.06 2g3x s LEU 55 Ca 0.25 -0.99 0.07 0.00 -0.22 0.00 0.00 54.13 53.24 2g3x s LEU 55 Cb -0.11 -0.96 -0.05 0.00 0.50 0.00 0.00 46.19 45.57 2g3x s LEU 55 CO 0.17 -0.25 0.18 -1.00 -1.32 0.00 0.00 176.35 174.13 2g3x s HIS 56 N 1.57 2.58 -1.17 5.38 3.76 -1.26 -2.36 115.29 123.78 2g3x s HIS 56 Ca -0.03 -0.60 0.00 0.00 -0.15 0.00 0.00 55.06 54.28 2g3x s HIS 56 Cb -0.18 -1.96 0.00 0.00 1.11 0.00 0.00 32.58 31.56 2g3x s HIS 56 CO -0.07 0.17 0.00 0.41 -0.85 0.00 0.00 174.74 174.40 2g3x n GLY 57 N -1.25 0.35 0.22 -2.22 0.00 -1.26 -4.93 105.19 96.10 2g3x n GLY 57 Ca -0.01 -0.38 -0.09 0.00 0.00 0.00 0.00 46.02 45.53 2g3x n GLY 57 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 2g3x h LEU 58 N 0.00 0.65 0.00 0.99 3.38 -1.87 -3.48 115.31 114.98 2g3x h LEU 58 Ca -0.29 -0.32 -0.12 0.00 0.09 0.00 0.00 57.88 57.24 2g3x h LEU 58 Cb 1.09 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 41.63 2g3x h LEU 58 CO 0.36 1.03 0.03 1.07 0.09 0.00 0.00 178.44 181.02 2g3x n THR 59 N -3.99 0.00 -4.46 0.22 5.66 -1.26 -4.76 114.28 105.68 2g3x n THR 59 Ca -0.03 -0.99 -0.22 0.00 -3.05 0.00 0.00 64.05 59.76 2g3x n THR 59 Cb 0.57 0.72 -0.10 0.00 -1.55 0.00 0.00 70.33 69.97 2g3x n THR 59 CO 0.00 0.00 0.00 0.42 -3.05 0.00 0.00 175.07 172.44 2g3x s THR 60 N -2.56 1.79 0.26 1.09 -4.23 -1.26 -4.63 115.64 106.10 2g3x s THR 60 Ca 0.16 -2.14 -0.02 0.00 -1.18 0.00 0.00 61.69 58.50 2g3x s THR 60 Cb -0.02 -2.51 0.24 0.00 1.34 0.00 0.00 72.50 71.56 2g3x s THR 60 CO 0.12 -0.27 1.83 1.05 -0.54 0.00 0.00 174.62 176.81 2g3x h GLU 61 N 2.21 0.91 -0.61 3.99 4.11 -1.99 -1.12 114.58 122.08 2g3x h GLU 61 Ca -0.40 -0.05 -0.10 0.00 0.07 0.00 0.00 59.36 58.87 2g3x h GLU 61 Cb 1.24 -0.20 -0.02 0.00 0.50 0.00 0.00 28.75 30.26 2g3x h GLU 61 CO 0.68 0.60 -0.00 0.93 0.07 0.00 0.00 179.01 181.29 2g3x h GLU 62 N 0.93 1.07 0.00 1.06 5.08 -2.04 -3.18 114.58 117.51 2g3x h GLU 62 Ca 0.43 -0.34 -0.16 0.00 -1.00 0.00 0.00 59.36 58.29 2g3x h GLU 62 Cb 0.35 -0.10 -0.02 0.00 0.50 0.00 0.00 28.75 29.48 2g3x h GLU 62 CO -0.23 1.05 -0.75 0.93 -1.00 0.00 0.00 179.01 179.01 2g3x h GLU 63 N 0.98 0.00 -4.54 2.33 4.39 -1.85 -3.39 114.58 112.50 2g3x h GLU 63 Ca 0.17 0.00 -0.71 0.00 0.34 0.00 0.00 59.36 59.16 2g3x h GLU 63 Cb 0.57 0.00 -0.09 0.00 -0.10 0.00 0.00 28.75 29.13 2g3x h GLU 63 CO 0.03 0.75 2.47 0.34 -1.16 0.00 0.00 179.01 181.44 2g3x n PHE 64 N -3.42 3.93 -1.98 4.33 7.35 -0.47 -4.96 117.46 122.24 2g3x n PHE 64 Ca 0.00 -2.95 -0.29 0.00 -0.76 0.00 0.00 57.45 53.45 2g3x n PHE 64 Cb 0.79 -2.43 0.15 0.00 0.35 0.00 0.00 39.48 38.34 2g3x n PHE 64 CO 0.00 0.00 0.00 0.14 -0.76 0.00 0.00 176.76 176.14 2g3x s VAL 65 N 2.82 2.02 0.51 -2.13 -7.23 -1.26 -4.96 120.40 110.17 2g3x s VAL 65 Ca 0.47 -0.05 -0.22 0.00 -1.81 0.00 0.00 61.98 60.36 2g3x s VAL 65 Cb 0.08 -2.97 -0.06 0.00 0.56 0.00 0.00 36.38 34.00 2g3x s VAL 65 CO -0.01 0.00 1.30 -0.70 -0.31 0.00 0.00 175.10 175.37 2g3x s GLU 66 N -5.74 3.40 0.00 4.82 2.12 -1.26 -4.79 118.70 117.25 2g3x s GLU 66 Ca 0.70 2.09 0.00 0.00 0.36 0.00 0.00 54.97 58.12 2g3x s GLU 66 Cb -0.06 -2.35 0.00 0.00 0.26 0.00 0.00 34.13 31.99 2g3x s GLU 66 CO 0.51 -0.94 0.00 0.41 -0.54 0.00 0.00 175.26 174.70 2g3x n GLY 67 N 0.63 -2.58 3.53 -1.50 0.00 -1.04 -5.01 105.19 99.22 2g3x n GLY 67 Ca 0.09 -1.29 -0.37 0.00 0.00 0.00 0.00 46.02 44.44 2g3x n GLY 67 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2g3x s ILE 68 N -2.20 4.86 0.18 -0.61 1.01 -1.26 -1.04 121.20 122.14 2g3x s ILE 68 Ca 0.00 0.02 0.09 0.00 0.00 0.00 0.00 60.65 60.75 2g3x s ILE 68 Cb 0.00 -3.29 -0.04 0.00 0.01 0.00 0.00 42.46 39.13 2g3x s ILE 68 CO 0.00 0.30 -0.08 -0.31 0.00 0.00 0.00 174.94 174.85 2g3x s TYR 69 N 1.63 2.67 -0.11 3.97 1.51 0.31 -0.85 117.35 126.48 2g3x s TYR 69 Ca 0.07 -0.21 0.01 0.00 -1.01 0.00 0.00 57.07 55.92 2g3x s TYR 69 Cb -0.15 -1.30 0.02 0.00 -0.11 0.00 0.00 41.96 40.42 2g3x s TYR 69 CO 0.07 0.52 -0.11 0.21 -1.11 0.00 0.00 175.55 175.13 2g3x s LYS 70 N -2.86 1.80 -0.22 -0.62 2.20 -0.13 -1.52 119.74 118.38 2g3x s LYS 70 Ca 0.25 -0.39 -0.06 0.00 -0.36 0.00 0.00 55.97 55.42 2g3x s LYS 70 Cb -0.09 -1.68 -0.02 0.00 -1.51 0.00 0.00 37.83 34.53 2g3x s LYS 70 CO 0.16 -0.17 0.02 0.08 -0.36 0.00 0.00 175.35 175.08 2g3x s VAL 71 N 1.33 3.94 -0.20 4.02 1.01 -0.44 -0.98 120.40 129.08 2g3x s VAL 71 Ca -0.01 -0.30 -0.02 0.00 0.00 0.00 0.00 61.98 61.65 2g3x s VAL 71 Cb -0.14 -2.81 -0.00 0.00 0.00 0.00 0.00 36.38 33.43 2g3x s VAL 71 CO -0.05 0.39 -0.10 -1.61 0.00 0.00 0.00 175.10 173.73 2g3x s GLU 72 N 1.37 3.27 -0.24 2.72 2.02 0.50 -2.05 118.70 126.29 2g3x s GLU 72 Ca 0.05 -0.69 -0.07 0.00 0.02 0.00 0.00 54.97 54.27 2g3x s GLU 72 Cb -0.15 -2.84 -0.03 0.00 0.10 0.00 0.00 34.13 31.22 2g3x s GLU 72 CO 0.01 -0.15 0.06 0.42 0.02 0.00 0.00 175.26 175.63 2g3x s ILE 73 N 1.28 4.31 -1.23 -1.63 1.09 0.22 -0.88 121.20 124.35 2g3x s ILE 73 Ca 0.03 -0.18 -0.19 0.00 -1.10 0.00 0.00 60.65 59.22 2g3x s ILE 73 Cb -0.14 -3.01 0.07 0.00 -1.06 0.00 0.00 42.46 38.32 2g3x s ILE 73 CO -0.05 0.35 1.66 -1.81 -0.10 0.00 0.00 174.94 175.00 2g3x s ASP 74 N 1.49 6.77 0.23 3.58 1.01 -0.43 -1.08 116.67 128.25 2g3x s ASP 74 Ca 0.06 -2.25 0.08 0.00 0.71 0.00 0.00 52.55 51.15 2g3x s ASP 74 Cb -0.15 -2.57 0.19 0.00 1.01 0.00 0.00 42.92 41.40 2g3x s ASP 74 CO 0.03 -1.23 1.51 0.71 0.21 0.00 0.00 175.17 176.41 2g3x h THR 75 N 5.80 1.50 -0.30 -1.27 1.35 -1.87 -3.21 112.91 114.91 2g3x h THR 75 Ca 0.39 -2.43 0.00 0.00 -0.55 0.00 0.00 66.41 63.82 2g3x h THR 75 Cb 0.90 2.31 -0.01 0.00 -1.73 0.00 0.00 68.15 69.62 2g3x h THR 75 CO 1.44 0.70 0.19 0.50 -0.25 0.00 0.00 175.52 178.10 2g3x h LYS 76 N 0.02 0.39 -0.80 4.72 3.64 -1.64 -0.96 116.57 121.94 2g3x h LYS 76 Ca -0.01 -0.03 -0.03 0.00 -1.27 0.00 0.00 60.65 59.32 2g3x h LYS 76 Cb 1.28 -0.09 -0.04 0.00 -0.41 0.00 0.00 32.23 32.97 2g3x h LYS 76 CO 0.10 0.27 0.40 1.03 -2.27 0.00 0.00 179.45 178.98 2g3x h SER 77 N 0.40 1.03 0.18 4.20 0.87 -1.83 -0.65 113.55 117.75 2g3x h SER 77 Ca 0.11 -0.11 -0.01 0.00 -1.23 0.00 0.00 61.79 60.55 2g3x h SER 77 Cb -0.03 -0.26 0.00 0.00 -0.44 0.00 0.00 62.40 61.67 2g3x h SER 77 CO -0.02 0.86 -0.09 0.22 -0.53 0.00 0.00 176.83 177.27 2g3x h TYR 78 N 1.13 -0.22 -0.61 2.24 3.20 -1.45 -1.23 116.97 120.03 2g3x h TYR 78 Ca 0.28 -0.01 -0.06 0.00 3.14 0.00 0.00 58.73 62.08 2g3x h TYR 78 Cb 0.09 0.07 -0.03 0.00 1.54 0.00 0.00 36.73 38.41 2g3x h TYR 78 CO 0.01 -0.03 0.15 -1.49 -1.64 0.00 0.00 178.16 175.17 2g3x h TRP 79 N -0.38 1.03 -0.29 -3.82 4.06 -1.07 -2.82 115.95 112.66 2g3x h TRP 79 Ca -0.02 -0.12 -0.06 0.00 2.06 0.00 0.00 58.89 60.75 2g3x h TRP 79 Cb 0.29 -0.29 -0.02 0.00 -1.00 0.00 0.00 29.16 28.15 2g3x h TRP 79 CO -0.02 0.86 -0.06 0.87 -3.56 0.00 0.00 178.44 176.53 2g3x h LYS 80 N 0.90 0.46 0.00 0.49 1.57 -1.08 -0.38 116.57 118.53 2g3x h LYS 80 Ca 0.19 -0.11 0.00 0.00 -1.87 0.00 0.00 60.65 58.86 2g3x h LYS 80 Cb 0.35 -0.06 0.00 0.00 0.08 0.00 0.00 32.23 32.60 2g3x h LYS 80 CO 0.00 0.54 0.00 0.00 -0.57 0.00 0.00 179.45 179.42 2g3x n ALA 81 N -2.48 1.66 0.04 3.86 0.00 -0.47 -1.66 120.51 121.45 2g3x n ALA 81 Ca 0.01 0.00 0.07 0.00 0.00 0.00 0.00 53.44 53.52 2g3x n ALA 81 Cb 0.27 -1.29 0.15 0.00 0.00 0.00 0.00 19.45 18.58 2g3x n ALA 81 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 2g3x n LEU 82 N -1.79 2.83 0.00 0.00 4.77 -0.48 -4.97 117.00 117.35 2g3x n LEU 82 Ca 0.03 -1.68 0.00 0.00 -0.03 0.00 0.00 56.01 54.33 2g3x n LEU 82 Cb 0.19 -0.20 0.00 0.00 -2.33 0.00 0.00 43.42 41.09 2g3x n LEU 82 CO 0.16 0.66 0.00 0.61 -1.33 0.00 0.00 177.39 177.49 2g3x n GLY 83 N 0.77 0.61 3.92 -0.72 0.00 -0.67 -5.07 105.19 104.04 2g3x n GLY 83 Ca 0.12 -0.24 -0.23 0.00 0.00 0.00 0.00 46.02 45.67 2g3x n GLY 83 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2g3x s SER 84 N -2.22 6.11 -0.62 1.61 0.01 -0.27 -4.99 113.70 113.33 2g3x s SER 84 Ca 0.00 0.03 -0.01 0.00 1.31 0.00 0.00 55.95 57.29 2g3x s SER 84 Cb 0.00 -1.76 0.16 0.00 0.21 0.00 0.00 66.02 64.63 2g3x s SER 84 CO 0.00 -0.01 0.42 -0.55 0.41 0.00 0.00 173.24 173.51 2g3x s SER 85 N -3.61 5.00 0.84 2.44 0.15 -1.26 -3.54 113.70 113.72 2g3x s SER 85 Ca 0.34 -3.01 -0.11 0.00 0.70 0.00 0.00 55.95 53.87 2g3x s SER 85 Cb -0.10 -1.79 0.10 0.00 -1.71 0.00 0.00 66.02 62.52 2g3x s SER 85 CO 0.28 -0.30 1.09 -2.16 1.20 0.00 0.00 173.24 173.34 2g3x s PRO 86 N -0.28 1.71 -0.19 5.44 0.04 -1.26 -5.01 135.00 135.46 2g3x s PRO 86 Ca 0.18 0.98 -0.22 0.00 0.04 0.00 0.00 61.00 61.98 2g3x s PRO 86 Cb -0.20 -1.85 -0.21 0.00 0.04 0.00 0.00 34.50 32.27 2g3x s PRO 86 CO -0.03 -1.97 0.34 0.35 0.04 0.00 0.00 177.00 175.73 2g3x h PHE 87 N -1.36 0.05 -4.03 0.56 3.57 -1.69 -3.48 116.94 110.56 2g3x h PHE 87 Ca -0.47 -0.04 -0.49 0.00 3.53 0.00 0.00 57.97 60.51 2g3x h PHE 87 Cb 1.26 -0.00 0.02 0.00 2.79 0.00 0.00 35.95 40.02 2g3x h PHE 87 CO 0.49 1.43 0.28 -1.01 -2.23 0.00 0.00 178.31 177.28 2g3x s HIS 88 N -2.36 3.51 0.05 0.41 3.76 -1.26 -4.99 115.29 114.41 2g3x s HIS 88 Ca -0.26 1.24 -0.14 0.00 -0.15 0.00 0.00 55.06 55.75 2g3x s HIS 88 Cb 0.04 -2.63 -0.31 0.00 1.11 0.00 0.00 32.58 30.79 2g3x s HIS 88 CO 0.63 -0.35 1.07 0.93 -0.85 0.00 0.00 174.74 176.16 2g3x h GLU 89 N 0.68 0.56 -2.79 1.40 4.39 -1.97 -3.37 114.58 113.49 2g3x h GLU 89 Ca -0.46 -0.84 0.06 0.00 0.34 0.00 0.00 59.36 58.46 2g3x h GLU 89 Cb 1.19 0.30 -0.01 0.00 -0.10 0.00 0.00 28.75 30.12 2g3x h GLU 89 CO 0.62 1.39 0.41 -3.38 -1.16 0.00 0.00 179.01 176.90 2g3x s HIS 90 N -2.81 0.09 -0.20 4.33 -3.43 -1.26 -2.45 115.29 109.56 2g3x s HIS 90 Ca -0.09 -0.65 -0.05 0.00 -0.80 0.00 0.00 55.06 53.48 2g3x s HIS 90 Cb 0.05 0.78 -0.02 0.00 -1.43 0.00 0.00 32.58 31.96 2g3x s HIS 90 CO 0.94 -1.28 -0.00 0.00 -2.00 0.00 0.00 174.74 172.39 2g3x s ALA 91 N -2.26 3.01 0.05 -1.38 0.00 -0.24 -4.86 121.76 116.07 2g3x s ALA 91 Ca 0.18 -1.01 0.04 0.00 0.00 0.00 0.00 51.96 51.17 2g3x s ALA 91 Cb -0.04 -1.77 -0.02 0.00 0.00 0.00 0.00 23.12 21.29 2g3x s ALA 91 CO 0.09 -0.18 -0.12 -2.00 0.00 0.00 0.00 175.76 173.54 2g3x s GLU 92 N 1.06 0.77 -0.12 0.00 2.12 -1.26 -0.61 118.70 120.65 2g3x s GLU 92 Ca 0.02 -0.80 -0.10 0.00 0.36 0.00 0.00 54.97 54.46 2g3x s GLU 92 Cb -0.14 -0.73 0.04 0.00 0.26 0.00 0.00 34.13 33.56 2g3x s GLU 92 CO 0.01 0.17 0.32 0.54 -0.54 0.00 0.00 175.26 175.76 2g3x s VAL 93 N -1.08 -0.01 -0.09 3.70 0.11 -0.87 -5.01 120.40 117.16 2g3x s VAL 93 Ca -0.02 0.04 0.02 0.00 -2.93 0.00 0.00 61.98 59.08 2g3x s VAL 93 Cb -0.09 -0.45 -0.02 0.00 -1.53 0.00 0.00 36.38 34.29 2g3x s VAL 93 CO 0.01 0.01 -0.13 -0.69 -3.33 0.00 0.00 175.10 170.98 2g3x s VAL 94 N 0.50 3.10 0.24 2.04 1.01 -1.26 -1.33 120.40 124.69 2g3x s VAL 94 Ca -0.03 -0.68 -0.17 0.00 0.00 0.00 0.00 61.98 61.11 2g3x s VAL 94 Cb -0.04 -2.25 0.01 0.00 0.00 0.00 0.00 36.38 34.10 2g3x s VAL 94 CO -0.03 0.56 0.56 0.72 0.00 0.00 0.00 175.10 176.91 2g3x s PHE 95 N -0.26 0.04 -0.20 5.22 -0.71 -0.58 -5.00 117.98 116.49 2g3x s PHE 95 Ca 0.02 -0.42 -0.07 0.00 -1.04 0.00 0.00 56.93 55.41 2g3x s PHE 95 Cb -0.13 0.40 -0.04 0.00 -1.21 0.00 0.00 43.02 42.04 2g3x s PHE 95 CO 0.03 -1.03 0.06 0.99 -1.34 0.00 0.00 175.22 173.93 2g3x s THR 96 N -3.94 4.68 0.11 -4.49 2.01 -1.26 -0.53 115.64 112.21 2g3x s THR 96 Ca 0.15 -0.07 0.08 0.00 0.31 0.00 0.00 61.69 62.16 2g3x s THR 96 Cb -0.02 -3.12 -0.04 0.00 0.01 0.00 0.00 72.50 69.33 2g3x s THR 96 CO 0.04 0.43 -0.16 0.00 -0.69 0.00 0.00 174.62 174.24 2g3x s ALA 97 N 0.65 2.74 -1.36 7.40 0.00 -0.21 -4.73 121.76 126.25 2g3x s ALA 97 Ca 0.03 -1.31 -0.04 0.00 0.00 0.00 0.00 51.96 50.64 2g3x s ALA 97 Cb -0.13 -0.72 0.02 0.00 0.00 0.00 0.00 23.12 22.30 2g3x s ALA 97 CO 0.02 0.60 0.33 0.09 0.00 0.00 0.00 175.76 176.80 2g3x n ASN 98 N 0.85 -4.74 -0.04 0.00 3.02 -1.26 -2.48 115.26 110.61 2g3x n ASN 98 Ca -0.15 -0.15 0.14 0.00 -0.03 0.00 0.00 54.58 54.39 2g3x n ASN 98 Cb 0.53 -3.91 0.67 0.00 -0.61 0.00 0.00 39.78 36.45 2g3x n ASN 98 CO 0.00 0.00 0.00 -0.90 -2.62 0.00 0.00 177.26 173.74 2g3x n ASP 99 N -2.19 0.20 -0.28 6.41 5.75 -1.26 -3.15 116.55 122.02 2g3x n ASP 99 Ca -0.11 -0.27 0.06 0.00 -0.01 0.00 0.00 54.79 54.46 2g3x n ASP 99 Cb 0.60 -0.19 0.09 0.00 -1.03 0.00 0.00 41.12 40.59 2g3x n ASP 99 CO 0.00 0.00 0.00 -1.20 -0.11 0.00 0.00 177.20 175.89 2g3x n SER 100 N -1.18 1.49 0.00 -1.12 7.64 -1.26 -5.10 113.62 114.09 2g3x n SER 100 Ca 0.13 -2.73 0.00 0.00 1.01 0.00 0.00 58.87 57.28 2g3x n SER 100 Cb 0.27 -0.35 0.00 0.00 -1.01 0.00 0.00 64.21 63.11 2g3x n SER 100 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2g3x n GLY 101 N -0.88 2.22 3.75 0.23 0.00 -1.19 -5.02 105.19 104.30 2g3x n GLY 101 Ca 0.10 -2.04 -0.41 0.00 0.00 0.00 0.00 46.02 43.67 2g3x n GLY 101 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2g3x s PRO 102 N -2.27 4.11 0.09 1.61 0.04 -1.26 -4.37 135.00 132.94 2g3x s PRO 102 Ca 0.00 2.59 -0.02 0.00 0.04 0.00 0.00 61.00 63.61 2g3x s PRO 102 Cb 0.00 -3.01 -0.03 0.00 0.04 0.00 0.00 34.50 31.49 2g3x s PRO 102 CO 0.00 -0.64 0.04 1.03 0.04 0.00 0.00 177.00 177.48 2g3x s ARG 103 N -0.64 0.77 -0.21 4.56 1.81 -1.26 -4.92 118.95 119.06 2g3x s ARG 103 Ca 0.63 -1.26 -0.11 0.00 -1.72 0.00 0.00 55.73 53.27 2g3x s ARG 103 Cb -0.48 0.25 -0.05 0.00 -0.45 0.00 0.00 34.95 34.22 2g3x s ARG 103 CO 0.49 -0.20 0.16 1.03 -0.68 0.00 0.00 175.30 176.11 2g3x s ARG 104 N -3.96 4.17 -0.07 3.54 1.81 -0.06 -4.86 118.95 119.52 2g3x s ARG 104 Ca 0.13 -0.19 0.04 0.00 -1.72 0.00 0.00 55.73 53.99 2g3x s ARG 104 Cb 0.07 -3.45 -0.02 0.00 -0.45 0.00 0.00 34.95 31.10 2g3x s ARG 104 CO -0.06 0.23 -0.20 0.71 -0.68 0.00 0.00 175.30 175.30 2g3x s TYR 105 N 0.56 2.57 -0.13 -0.53 1.51 0.88 -1.38 117.35 120.83 2g3x s TYR 105 Ca 0.09 -0.54 0.00 0.00 -1.01 0.00 0.00 57.07 55.62 2g3x s TYR 105 Cb -0.12 -1.64 0.02 0.00 -0.11 0.00 0.00 41.96 40.11 2g3x s TYR 105 CO 0.00 -0.09 -0.13 0.99 -1.11 0.00 0.00 175.55 175.21 2g3x s THR 106 N -0.26 1.43 -0.34 -0.71 2.01 -0.56 -0.79 115.64 116.43 2g3x s THR 106 Ca 0.00 -0.56 -0.12 0.00 0.31 0.00 0.00 61.69 61.33 2g3x s THR 106 Cb -0.13 -1.36 -0.01 0.00 0.01 0.00 0.00 72.50 71.02 2g3x s THR 106 CO 0.03 0.43 0.21 -0.63 -0.69 0.00 0.00 174.62 173.98 2g3x s ILE 107 N 1.44 4.99 -0.19 1.82 -1.09 -0.15 -0.87 121.20 127.14 2g3x s ILE 107 Ca 0.03 -0.38 -0.06 0.00 -2.23 0.00 0.00 60.65 58.01 2g3x s ILE 107 Cb -0.13 -3.59 -0.03 0.00 -1.58 0.00 0.00 42.46 37.12 2g3x s ILE 107 CO -0.08 -0.03 0.03 0.00 -1.23 0.00 0.00 174.94 173.63 2g3x s ALA 108 N 1.67 3.20 0.03 9.38 0.00 0.43 -1.39 121.76 135.08 2g3x s ALA 108 Ca 0.05 -0.89 0.08 0.00 0.00 0.00 0.00 51.96 51.20 2g3x s ALA 108 Cb -0.18 -1.85 -0.02 0.00 0.00 0.00 0.00 23.12 21.07 2g3x s ALA 108 CO 0.09 -0.02 -0.24 0.00 0.00 0.00 0.00 175.76 175.59 2g3x s ALA 109 N 0.75 2.00 -0.13 0.00 0.00 -0.19 -0.61 121.76 123.58 2g3x s ALA 109 Ca 0.02 -1.12 0.02 0.00 0.00 0.00 0.00 51.96 50.87 2g3x s ALA 109 Cb -0.14 -0.44 0.01 0.00 0.00 0.00 0.00 23.12 22.56 2g3x s ALA 109 CO 0.02 0.47 -0.19 -1.17 0.00 0.00 0.00 175.76 174.89 2g3x s LEU 110 N -1.02 1.95 -0.03 0.00 2.96 -0.57 -0.93 118.68 121.04 2g3x s LEU 110 Ca 0.10 -0.54 0.05 0.00 -0.22 0.00 0.00 54.13 53.52 2g3x s LEU 110 Cb -0.09 -1.31 -0.02 0.00 0.50 0.00 0.00 46.19 45.26 2g3x s LEU 110 CO 0.01 0.04 -0.19 -0.76 -1.32 0.00 0.00 176.35 174.13 2g3x s LEU 111 N 0.98 2.49 0.06 -0.68 1.43 -0.18 -1.85 118.68 120.93 2g3x s LEU 111 Ca -0.05 -0.31 -0.00 0.00 -1.03 0.00 0.00 54.13 52.75 2g3x s LEU 111 Cb -0.15 -1.48 -0.04 0.00 0.03 0.00 0.00 46.19 44.56 2g3x s LEU 111 CO -0.04 0.33 -0.04 -0.44 0.23 0.00 0.00 176.35 176.39 2g3x s SER 112 N -0.75 0.62 0.35 2.29 0.01 -0.39 -0.98 113.70 114.85 2g3x s SER 112 Ca 0.11 -0.94 0.08 0.00 1.31 0.00 0.00 55.95 56.51 2g3x s SER 112 Cb -0.10 0.16 0.80 0.00 0.21 0.00 0.00 66.02 67.09 2g3x s SER 112 CO 0.00 -0.53 1.88 -0.65 0.41 0.00 0.00 173.24 174.35 2g3x h PRO 113 N 3.28 0.69 -0.07 12.44 0.11 -2.00 -3.02 132.00 143.44 2g3x h PRO 113 Ca -0.34 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.73 2g3x h PRO 113 Cb 1.15 -0.16 0.00 0.00 0.11 0.00 0.00 31.00 32.11 2g3x h PRO 113 CO 0.63 0.46 0.00 0.66 -0.21 0.00 0.00 178.00 179.54 2g3x n TYR 114 N -4.55 0.22 -3.51 0.65 4.02 -1.26 -1.69 117.16 111.04 2g3x n TYR 114 Ca 0.17 -0.93 -0.13 0.00 -0.01 0.00 0.00 57.90 57.00 2g3x n TYR 114 Cb 0.43 -0.18 -0.04 0.00 -0.02 0.00 0.00 39.34 39.53 2g3x n TYR 114 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 176.86 176.30 2g3x s SER 115 N -2.49 -0.53 0.19 7.72 0.15 -1.14 -5.00 113.70 112.59 2g3x s SER 115 Ca 0.32 0.37 -0.21 0.00 0.70 0.00 0.00 55.95 57.13 2g3x s SER 115 Cb 0.27 0.47 0.05 0.00 -1.71 0.00 0.00 66.02 65.11 2g3x s SER 115 CO 0.04 -0.63 0.60 -0.72 1.20 0.00 0.00 173.24 173.73 2g3x s TYR 116 N -2.07 -0.37 0.02 3.44 -0.85 -1.26 -1.26 117.35 115.00 2g3x s TYR 116 Ca -0.04 0.08 0.00 0.00 -0.52 0.00 0.00 57.07 56.60 2g3x s TYR 116 Cb -0.00 0.54 -0.02 0.00 0.38 0.00 0.00 41.96 42.86 2g3x s TYR 116 CO -0.00 -0.93 -0.04 -1.54 -1.52 0.00 0.00 175.55 171.52 2g3x s SER 117 N -2.81 0.32 -0.02 -0.18 1.04 -0.77 -4.99 113.70 106.29 2g3x s SER 117 Ca 0.05 -0.46 0.02 0.00 0.48 0.00 0.00 55.95 56.04 2g3x s SER 117 Cb -0.02 0.08 0.00 0.00 0.10 0.00 0.00 66.02 66.18 2g3x s SER 117 CO -0.07 -0.25 -0.08 0.42 0.98 0.00 0.00 173.24 174.23 2g3x s THR 118 N -1.30 0.71 0.04 2.02 -4.23 -1.26 -1.51 115.64 110.11 2g3x s THR 118 Ca -0.13 -0.33 0.02 0.00 -1.18 0.00 0.00 61.69 60.06 2g3x s THR 118 Cb -0.09 -0.63 -0.02 0.00 1.34 0.00 0.00 72.50 73.10 2g3x s THR 118 CO -0.01 0.22 -0.08 -0.89 -0.54 0.00 0.00 174.62 173.32 2g3x s THR 119 N 0.12 0.56 -0.10 3.99 2.01 0.22 -4.98 115.64 117.46 2g3x s THR 119 Ca -0.02 -1.08 0.02 0.00 0.31 0.00 0.00 61.69 60.92 2g3x s THR 119 Cb -0.07 -0.62 -0.02 0.00 0.01 0.00 0.00 72.50 71.80 2g3x s THR 119 CO 0.00 -0.37 -0.16 0.00 -0.69 0.00 0.00 174.62 173.40 2g3x s ALA 120 N -1.37 2.53 -0.28 7.40 0.00 -1.26 -0.43 121.76 128.37 2g3x s ALA 120 Ca -0.10 -0.94 -0.04 0.00 0.00 0.00 0.00 51.96 50.88 2g3x s ALA 120 Cb -0.10 -1.05 0.02 0.00 0.00 0.00 0.00 23.12 21.99 2g3x s ALA 120 CO 0.00 0.35 0.02 0.08 0.00 0.00 0.00 175.76 176.21 2g3x s VAL 121 N 0.03 3.45 -0.20 0.00 1.01 -0.05 -4.97 120.40 119.66 2g3x s VAL 121 Ca -0.06 -0.88 -0.02 0.00 0.00 0.00 0.00 61.98 61.02 2g3x s VAL 121 Cb -0.15 -2.79 -0.00 0.00 0.00 0.00 0.00 36.38 33.45 2g3x s VAL 121 CO 0.05 0.11 -0.09 -0.69 0.00 0.00 0.00 175.10 174.48 2g3x s VAL 122 N 1.41 3.03 0.28 2.92 1.01 -1.26 -1.50 120.40 126.29 2g3x s VAL 122 Ca 0.01 -0.61 0.05 0.00 0.00 0.00 0.00 61.98 61.43 2g3x s VAL 122 Cb -0.17 -2.35 -0.06 0.00 0.00 0.00 0.00 36.38 33.80 2g3x s VAL 122 CO -0.01 0.46 -0.01 0.42 0.00 0.00 0.00 175.10 175.96 2g3x s THR 123 N 1.35 1.37 -2.59 3.92 -4.23 -0.48 -4.97 115.64 110.02 2g3x s THR 123 Ca 0.04 -2.07 0.27 0.00 -1.18 0.00 0.00 61.69 58.76 2g3x s THR 123 Cb -0.14 -2.51 0.48 0.00 1.34 0.00 0.00 72.50 71.67 2g3x s THR 123 CO -0.05 -0.23 1.66 0.59 -0.54 0.00 0.00 174.62 176.04