#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3g3a n PRO 3 N 4.17 0.00 0.00 0.00 -0.02 -1.26 -5.07 135.00 132.81 3g3a n PRO 3 Ca -0.04 0.26 0.00 0.00 -2.02 0.00 0.00 63.50 61.70 3g3a n PRO 3 Cb 0.51 -1.06 0.00 0.00 -0.02 0.00 0.00 33.50 32.92 3g3a n PRO 3 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3g3a s SER 7 N -1.29 4.42 0.06 0.00 0.01 -0.17 -4.95 113.70 111.79 3g3a s SER 7 Ca 0.00 -0.28 0.04 0.00 1.31 0.00 0.00 55.95 57.02 3g3a s SER 7 Cb 0.00 -1.73 -0.04 0.00 0.21 0.00 0.00 66.02 64.46 3g3a s SER 7 CO 0.00 0.09 -0.01 0.00 0.41 0.00 0.00 173.24 173.72 3g3a s SER 9 N -2.06 -1.32 1.87 0.00 0.15 -0.55 -5.02 113.70 106.77 3g3a s SER 9 Ca 0.23 0.89 0.00 0.00 0.70 0.00 0.00 55.95 57.78 3g3a s SER 9 Cb -0.12 2.13 0.00 0.00 -1.71 0.00 0.00 66.02 66.33 3g3a s SER 9 CO 0.15 -0.25 0.00 0.61 1.20 0.00 0.00 173.24 174.96 3g3a n GLY 10 N 5.43 1.97 0.62 9.45 0.00 -1.26 -1.58 105.19 119.83 3g3a n GLY 10 Ca -0.02 0.37 0.07 0.00 0.00 0.00 0.00 46.02 46.44 3g3a n GLY 10 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3g3a n THR 11 N 0.00 1.81 -3.92 2.61 -2.24 -1.26 -4.97 114.28 106.32 3g3a n THR 11 Ca 0.00 -1.67 -0.35 0.00 -2.27 0.00 0.00 64.05 59.77 3g3a n THR 11 Cb 0.00 -0.01 -0.09 0.00 -2.10 0.00 0.00 70.33 68.13 3g3a n THR 11 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 3g3a s THR 12 N -2.26 4.98 -0.18 4.28 2.01 -0.61 0.30 115.64 124.17 3g3a s THR 12 Ca 0.33 0.04 0.01 0.00 0.31 0.00 0.00 61.69 62.37 3g3a s THR 12 Cb 0.25 -3.26 0.01 0.00 0.01 0.00 0.00 72.50 69.52 3g3a s THR 12 CO 0.09 0.45 -0.18 -0.69 -0.69 0.00 0.00 174.62 173.60 3g3a s VAL 13 N 0.37 2.29 -0.29 3.82 1.01 0.17 -1.48 120.40 126.30 3g3a s VAL 13 Ca 0.05 -0.87 0.01 0.00 0.00 0.00 0.00 61.98 61.16 3g3a s VAL 13 Cb -0.12 -1.97 0.06 0.00 0.00 0.00 0.00 36.38 34.35 3g3a s VAL 13 CO -0.00 0.52 -0.04 -0.62 0.00 0.00 0.00 175.10 174.96 3g3a s ASP 14 N 1.20 4.71 -0.18 3.32 2.15 -0.52 -1.14 116.67 126.21 3g3a s ASP 14 Ca 0.02 -1.41 0.17 0.00 0.43 0.00 0.00 52.55 51.76 3g3a s ASP 14 Cb -0.14 -1.64 0.47 0.00 -0.30 0.00 0.00 42.92 41.31 3g3a s ASP 14 CO -0.09 -0.25 1.35 0.00 -0.17 0.00 0.00 175.17 176.02 3g3a s SER 16 N -2.24 7.01 -0.66 0.00 1.04 -1.19 -4.09 113.70 113.57 3g3a s SER 16 Ca 0.40 1.93 0.00 0.00 0.48 0.00 0.00 55.95 58.76 3g3a s SER 16 Cb 0.33 -2.58 0.00 0.00 0.10 0.00 0.00 66.02 63.87 3g3a s SER 16 CO 0.06 -0.31 0.00 0.61 0.98 0.00 0.00 173.24 174.59 3g3a n GLY 17 N 0.34 0.61 0.88 7.32 0.00 -0.87 -4.91 105.19 108.57 3g3a n GLY 17 Ca 0.04 -0.70 0.07 0.00 0.00 0.00 0.00 46.02 45.43 3g3a n GLY 17 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3g3a n LYS 18 N -2.40 2.95 -3.44 1.61 4.76 -1.25 -4.97 118.16 115.42 3g3a n LYS 18 Ca -0.07 -2.33 -0.25 0.00 -2.87 0.00 0.00 58.31 52.79 3g3a n LYS 18 Cb 0.34 -1.45 0.00 0.00 -1.84 0.00 0.00 35.03 32.08 3g3a n LYS 18 CO 0.00 0.00 0.00 0.43 -1.37 0.00 0.00 177.40 176.46 3g3a n SER 19 N 0.64 -4.13 -4.76 4.39 7.64 -1.26 -4.94 113.62 111.19 3g3a n SER 19 Ca 0.16 -0.46 -0.39 0.00 1.01 0.00 0.00 58.87 59.19 3g3a n SER 19 Cb 0.56 -3.39 -0.04 0.00 -1.01 0.00 0.00 64.21 60.34 3g3a n SER 19 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 3g3a s LEU 20 N -6.66 4.44 -0.00 -3.43 1.43 -1.26 -4.52 118.68 108.69 3g3a s LEU 20 Ca 0.44 2.23 0.21 0.00 -1.03 0.00 0.00 54.13 55.99 3g3a s LEU 20 Cb -0.23 -3.77 -0.16 0.00 0.03 0.00 0.00 46.19 42.07 3g3a s LEU 20 CO 0.54 -0.25 0.94 0.00 0.23 0.00 0.00 176.35 177.81 3g3a n ALA 21 N 0.85 4.54 -3.05 4.21 0.00 -1.26 -0.61 120.51 125.20 3g3a n ALA 21 Ca 0.01 -0.57 -0.12 0.00 0.00 0.00 0.00 53.44 52.76 3g3a n ALA 21 Cb 0.46 -0.81 -0.06 0.00 0.00 0.00 0.00 19.45 19.04 3g3a n ALA 21 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 3g3a s SER 22 N -3.08 -0.21 0.04 0.00 1.04 -1.26 -4.14 113.70 106.09 3g3a s SER 22 Ca 0.08 -0.16 -0.34 0.00 0.48 0.00 0.00 55.95 56.01 3g3a s SER 22 Cb 0.16 0.41 -0.13 0.00 0.10 0.00 0.00 66.02 66.56 3g3a s SER 22 CO 0.85 -0.69 1.70 0.52 0.98 0.00 0.00 173.24 176.60 3g3a n VAL 23 N 0.34 0.26 -1.99 5.02 0.31 -1.26 -4.94 118.33 116.08 3g3a n VAL 23 Ca -0.18 -0.05 -0.37 0.00 -0.01 0.00 0.00 64.34 63.74 3g3a n VAL 23 Cb 0.61 -1.65 0.03 0.00 -0.91 0.00 0.00 33.84 31.92 3g3a n VAL 23 CO 0.00 0.00 0.00 -2.84 -1.32 0.00 0.00 176.83 172.67 3g3a s PRO 24 N 2.33 3.06 0.34 5.55 0.02 -1.26 -4.98 135.00 140.07 3g3a s PRO 24 Ca 0.86 1.90 -0.23 0.00 0.02 0.00 0.00 61.00 63.55 3g3a s PRO 24 Cb -0.71 -2.03 -0.10 0.00 0.02 0.00 0.00 34.50 31.69 3g3a s PRO 24 CO 0.45 -1.15 0.90 0.95 -0.33 0.00 0.00 177.00 177.81 3g3a s THR 25 N -1.53 4.36 0.00 0.99 -4.23 -1.26 -4.28 115.64 109.69 3g3a s THR 25 Ca 0.75 1.57 0.00 0.00 -1.18 0.00 0.00 61.69 62.83 3g3a s THR 25 Cb -0.32 -3.83 0.00 0.00 1.34 0.00 0.00 72.50 69.69 3g3a s THR 25 CO 0.36 -0.02 0.00 0.61 -0.54 0.00 0.00 174.62 175.02 3g3a n GLY 26 N 0.12 0.79 3.66 3.99 0.00 -1.26 -4.70 105.19 107.79 3g3a n GLY 26 Ca 0.03 -0.19 -0.42 0.00 0.00 0.00 0.00 46.02 45.44 3g3a n GLY 26 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3g3a s ILE 27 N -2.00 3.13 0.23 -0.61 -1.09 -1.26 -4.62 121.20 114.97 3g3a s ILE 27 Ca 0.00 0.17 -0.31 0.00 -2.23 0.00 0.00 60.65 58.29 3g3a s ILE 27 Cb 0.00 -3.11 -0.15 0.00 -1.58 0.00 0.00 42.46 37.62 3g3a s ILE 27 CO 0.00 -0.01 1.14 -2.65 -1.23 0.00 0.00 174.94 172.19 3g3a n PRO 28 N 7.40 1.38 0.00 2.79 -0.02 -1.26 -4.87 135.00 140.43 3g3a n PRO 28 Ca 0.19 0.49 0.09 0.00 -2.02 0.00 0.00 63.50 62.25 3g3a n PRO 28 Cb 0.41 -1.96 0.40 0.00 -0.02 0.00 0.00 33.50 32.33 3g3a n PRO 28 CO 0.00 0.00 0.00 0.25 1.98 0.00 0.00 175.50 177.73 3g3a n THR 29 N 1.06 0.72 1.07 3.45 -2.24 -1.26 -1.90 114.28 115.18 3g3a n THR 29 Ca 0.12 0.18 0.13 0.00 -2.27 0.00 0.00 64.05 62.21 3g3a n THR 29 Cb 0.29 -0.86 0.46 0.00 -2.10 0.00 0.00 70.33 68.11 3g3a n THR 29 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 3g3a n THR 30 N -1.48 0.00 -1.62 4.28 -2.24 -1.26 -4.42 114.28 107.53 3g3a n THR 30 Ca 0.05 -0.01 -0.54 0.00 -2.27 0.00 0.00 64.05 61.28 3g3a n THR 30 Cb 0.21 -0.10 -0.06 0.00 -2.10 0.00 0.00 70.33 68.28 3g3a n THR 30 CO 0.00 0.00 0.00 0.41 -0.57 0.00 0.00 175.07 174.91 3g3a n THR 31 N -1.39 0.08 -0.08 4.28 -1.04 -0.80 -4.88 114.28 110.45 3g3a n THR 31 Ca 0.08 -0.02 -0.09 0.00 -2.04 0.00 0.00 64.05 61.98 3g3a n THR 31 Cb 0.33 -0.91 -0.13 0.00 -1.82 0.00 0.00 70.33 67.80 3g3a n THR 31 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3g3a n GLN 32 N 3.28 1.22 -4.26 -2.82 6.02 0.15 -3.11 117.38 117.85 3g3a n GLN 32 Ca 0.21 0.00 -0.26 0.00 -0.01 0.00 0.00 57.00 56.94 3g3a n GLN 32 Cb 0.17 -1.43 -0.17 0.00 1.02 0.00 0.00 30.24 29.83 3g3a n GLN 32 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 177.06 176.13 3g3a s VAL 33 N -2.41 1.14 -0.09 5.09 1.01 -1.05 0.79 120.40 124.88 3g3a s VAL 33 Ca -0.10 -0.42 0.01 0.00 0.00 0.00 0.00 61.98 61.48 3g3a s VAL 33 Cb 0.05 -1.09 0.02 0.00 0.00 0.00 0.00 36.38 35.36 3g3a s VAL 33 CO 0.67 0.37 -0.12 -0.22 0.00 0.00 0.00 175.10 175.81 3g3a s LEU 34 N 1.16 1.54 -0.20 3.92 2.96 -0.35 -0.66 118.68 127.05 3g3a s LEU 34 Ca -0.05 -0.34 -0.03 0.00 -0.22 0.00 0.00 54.13 53.50 3g3a s LEU 34 Cb -0.14 -0.91 -0.00 0.00 0.50 0.00 0.00 46.19 45.64 3g3a s LEU 34 CO -0.02 -0.02 -0.08 -0.31 -1.32 0.00 0.00 176.35 174.60 3g3a s TYR 35 N 1.06 2.91 -0.03 5.38 2.02 -0.29 -1.26 117.35 127.14 3g3a s TYR 35 Ca -0.07 -1.02 0.04 0.00 -0.37 0.00 0.00 57.07 55.66 3g3a s TYR 35 Cb -0.15 -2.04 0.06 0.00 -0.40 0.00 0.00 41.96 39.43 3g3a s TYR 35 CO -0.01 -0.55 0.89 1.28 -1.57 0.00 0.00 175.55 175.59 3g3a n LEU 36 N 4.62 1.10 -4.75 -1.29 4.77 0.37 -0.42 117.00 121.40 3g3a n LEU 36 Ca -0.19 -1.47 -0.32 0.00 -0.03 0.00 0.00 56.01 54.01 3g3a n LEU 36 Cb 0.51 -0.09 0.09 0.00 -2.33 0.00 0.00 43.42 41.60 3g3a n LEU 36 CO 0.29 0.35 0.72 -0.72 -1.33 0.00 0.00 177.39 176.69 3g3a s TYR 37 N -0.92 2.38 -1.24 -1.77 -0.85 -1.06 -3.91 117.35 109.97 3g3a s TYR 37 Ca 0.07 1.60 -0.04 0.00 -0.52 0.00 0.00 57.07 58.18 3g3a s TYR 37 Cb 0.06 -3.16 -0.01 0.00 0.38 0.00 0.00 41.96 39.23 3g3a s TYR 37 CO 0.01 -2.01 0.75 -3.47 -1.52 0.00 0.00 175.55 169.30 3g3a n ASP 38 N -3.31 -2.52 -0.52 -0.18 2.03 -0.86 -2.48 116.55 108.71 3g3a n ASP 38 Ca 0.10 -0.83 0.00 0.00 0.52 0.00 0.00 54.79 54.58 3g3a n ASP 38 Cb 0.52 -4.12 0.00 0.00 -0.72 0.00 0.00 41.12 36.80 3g3a n ASP 38 CO 0.00 0.00 0.00 0.59 -1.92 0.00 0.00 177.20 175.87 3g3a n ASN 39 N -3.02 1.92 -1.16 1.67 5.03 -1.18 -2.05 115.26 116.47 3g3a n ASN 39 Ca -0.24 -0.26 -0.05 0.00 0.87 0.00 0.00 54.58 54.90 3g3a n ASN 39 Cb 0.66 0.00 0.18 0.00 -1.02 0.00 0.00 39.78 39.60 3g3a n ASN 39 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 3g3a n GLN 40 N 0.00 1.99 -2.33 3.52 6.02 0.23 -4.26 117.38 122.54 3g3a n GLN 40 Ca 0.00 -3.33 -0.43 0.00 -0.01 0.00 0.00 57.00 53.23 3g3a n GLN 40 Cb 0.00 -1.83 -0.02 0.00 1.02 0.00 0.00 30.24 29.40 3g3a n GLN 40 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 3g3a s ILE 41 N -3.45 4.10 -0.14 5.09 1.01 -1.07 -4.55 121.20 122.21 3g3a s ILE 41 Ca 0.44 1.32 0.19 0.00 0.00 0.00 0.00 60.65 62.61 3g3a s ILE 41 Cb 0.40 -3.91 -0.28 0.00 0.01 0.00 0.00 42.46 38.68 3g3a s ILE 41 CO -0.02 -0.18 0.24 0.41 0.00 0.00 0.00 174.94 175.39 3g3a n THR 42 N 5.58 0.88 -3.88 2.92 -1.04 -1.26 -0.20 114.28 117.28 3g3a n THR 42 Ca 0.15 -0.72 -0.11 0.00 -2.04 0.00 0.00 64.05 61.33 3g3a n THR 42 Cb 0.45 -0.30 -0.10 0.00 -1.82 0.00 0.00 70.33 68.56 3g3a n THR 42 CO 0.00 0.00 0.00 -0.54 -0.64 0.00 0.00 175.07 173.89 3g3a s LYS 43 N -2.88 0.51 -0.16 -2.82 1.02 -1.26 -3.22 119.74 110.94 3g3a s LYS 43 Ca -0.09 -0.47 0.00 0.00 0.02 0.00 0.00 55.97 55.43 3g3a s LYS 43 Cb 0.09 0.21 -0.00 0.00 -0.52 0.00 0.00 37.83 37.61 3g3a s LYS 43 CO 0.86 -0.12 -0.15 -0.51 -0.92 0.00 0.00 175.35 174.50 3g3a s LEU 44 N -1.55 2.46 0.28 3.17 1.43 -1.26 -4.86 118.68 118.34 3g3a s LEU 44 Ca -0.13 -0.48 -0.30 0.00 -1.03 0.00 0.00 54.13 52.19 3g3a s LEU 44 Cb -0.06 -1.56 -0.11 0.00 0.03 0.00 0.00 46.19 44.49 3g3a s LEU 44 CO 0.00 0.08 1.52 -1.61 0.23 0.00 0.00 176.35 176.57 3g3a s GLU 45 N 0.85 4.19 0.56 1.70 0.41 -1.26 -4.56 118.70 120.59 3g3a s GLU 45 Ca -0.05 2.46 -0.20 0.00 -0.41 0.00 0.00 54.97 56.77 3g3a s GLU 45 Cb -0.15 -3.06 -0.04 0.00 -1.78 0.00 0.00 34.13 29.10 3g3a s GLU 45 CO -0.01 -0.53 1.23 -2.14 -0.49 0.00 0.00 175.26 173.32 3g3a s PRO 46 N -0.54 3.12 0.00 0.39 0.02 -1.26 -2.39 135.00 134.34 3g3a s PRO 46 Ca 0.61 1.90 0.00 0.00 0.02 0.00 0.00 61.00 63.53 3g3a s PRO 46 Cb -0.45 -2.07 0.00 0.00 0.02 0.00 0.00 34.50 32.00 3g3a s PRO 46 CO 0.47 -1.10 0.00 0.41 -0.33 0.00 0.00 177.00 176.44 3g3a n GLY 47 N 0.55 2.34 0.38 0.52 0.00 -1.26 -4.93 105.19 102.78 3g3a n GLY 47 Ca 0.12 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.27 3g3a n GLY 47 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 173.32 173.08 3g3a h VAL 48 N 0.00 0.81 -0.21 1.61 3.04 -1.80 -1.43 116.25 118.27 3g3a h VAL 48 Ca 0.00 -0.21 0.00 0.00 -1.01 0.00 0.00 66.70 65.48 3g3a h VAL 48 Cb 0.00 0.15 0.00 0.00 -2.01 0.00 0.00 31.29 29.43 3g3a h VAL 48 CO 0.00 0.11 0.00 0.49 -1.01 0.00 0.00 177.57 177.16 3g3a n PHE 49 N -4.54 0.24 0.07 3.17 3.72 -1.26 -4.63 117.46 114.23 3g3a n PHE 49 Ca 0.17 -0.12 0.14 0.00 -0.05 0.00 0.00 57.45 57.59 3g3a n PHE 49 Cb 0.51 0.00 0.63 0.00 -0.94 0.00 0.00 39.48 39.68 3g3a n PHE 49 CO 0.00 0.00 0.00 -0.44 -0.05 0.00 0.00 176.76 176.27 3g3a h ASP 50 N 4.57 0.08 0.09 4.37 5.19 -1.53 0.30 116.42 129.50 3g3a h ASP 50 Ca 0.00 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.41 3g3a h ASP 50 Cb 0.99 -0.02 0.00 0.00 0.18 0.00 0.00 39.33 40.48 3g3a h ASP 50 CO 0.00 0.05 -0.21 -2.11 -3.12 0.00 0.00 179.24 173.85 3g3a n ARG 51 N -4.45 1.30 -2.29 3.56 1.85 -1.26 -4.51 116.66 110.86 3g3a n ARG 51 Ca 0.05 -0.89 -0.40 0.00 -1.00 0.00 0.00 57.85 55.61 3g3a n ARG 51 Cb 0.38 -1.48 0.01 0.00 -1.05 0.00 0.00 32.46 30.31 3g3a n ARG 51 CO 0.00 0.00 0.00 1.28 -0.01 0.00 0.00 177.63 178.90 3g3a n LEU 52 N -0.07 7.74 0.06 2.89 4.77 0.11 -4.71 117.00 127.78 3g3a n LEU 52 Ca 0.13 -5.11 0.13 0.00 -0.03 0.00 0.00 56.01 51.12 3g3a n LEU 52 Cb 0.41 -1.28 0.48 0.00 -2.33 0.00 0.00 43.42 40.70 3g3a n LEU 52 CO 0.23 2.05 0.89 0.35 -1.33 0.00 0.00 177.39 179.58 3g3a n THR 53 N 0.93 0.46 1.17 -5.08 -2.24 -1.26 -2.89 114.28 105.37 3g3a n THR 53 Ca 0.55 -0.05 0.13 0.00 -2.27 0.00 0.00 64.05 62.41 3g3a n THR 53 Cb 0.25 -0.68 0.31 0.00 -2.10 0.00 0.00 70.33 68.11 3g3a n THR 53 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3g3a n GLN 54 N -1.89 0.68 -1.63 -0.78 1.13 -1.26 -4.47 117.38 109.15 3g3a n GLN 54 Ca 0.05 -0.42 -0.50 0.00 -1.94 0.00 0.00 57.00 54.20 3g3a n GLN 54 Cb 0.34 -1.49 -0.05 0.00 0.11 0.00 0.00 30.24 29.15 3g3a n GLN 54 CO 0.00 0.00 0.00 1.28 -1.44 0.00 0.00 177.06 176.90 3g3a n LEU 55 N -0.79 2.37 -0.02 1.08 4.77 -1.14 -4.52 117.00 118.74 3g3a n LEU 55 Ca 0.10 1.10 0.02 0.00 -0.03 0.00 0.00 56.01 57.20 3g3a n LEU 55 Cb 0.35 -1.30 -0.09 0.00 -2.33 0.00 0.00 43.42 40.06 3g3a n LEU 55 CO 0.28 -0.65 -0.72 0.35 -1.33 0.00 0.00 177.39 175.32 3g3a n THR 56 N 3.11 0.25 -3.81 -5.08 -2.24 0.24 -1.92 114.28 104.82 3g3a n THR 56 Ca 0.18 -0.34 -0.13 0.00 -2.27 0.00 0.00 64.05 61.49 3g3a n THR 56 Cb 0.23 -0.08 -0.14 0.00 -2.10 0.00 0.00 70.33 68.25 3g3a n THR 56 CO 0.00 0.00 0.00 -0.60 -0.57 0.00 0.00 175.07 173.90 3g3a s ARG 57 N -2.66 0.10 -0.16 -0.78 3.52 -0.86 -0.16 118.95 117.95 3g3a s ARG 57 Ca -0.05 0.19 -0.04 0.00 -0.13 0.00 0.00 55.73 55.70 3g3a s ARG 57 Cb 0.06 -0.02 0.05 0.00 -1.56 0.00 0.00 34.95 33.49 3g3a s ARG 57 CO 0.49 -0.06 0.06 -1.17 -0.81 0.00 0.00 175.30 173.81 3g3a s LEU 58 N 0.36 0.68 -0.32 -0.88 2.96 0.00 -1.21 118.68 120.27 3g3a s LEU 58 Ca -0.03 -0.60 -0.13 0.00 -0.22 0.00 0.00 54.13 53.16 3g3a s LEU 58 Cb -0.04 -0.39 -0.03 0.00 0.50 0.00 0.00 46.19 46.24 3g3a s LEU 58 CO -0.01 -0.31 0.27 -1.81 -1.32 0.00 0.00 176.35 173.17 3g3a s ASP 59 N 2.02 6.10 -0.04 3.68 1.11 -0.39 -1.64 116.67 127.51 3g3a s ASP 59 Ca 0.01 -0.20 0.06 0.00 0.18 0.00 0.00 52.55 52.60 3g3a s ASP 59 Cb -0.16 -2.16 0.09 0.00 1.07 0.00 0.00 42.92 41.77 3g3a s ASP 59 CO -0.08 -0.21 0.96 0.18 1.18 0.00 0.00 175.17 177.19 3g3a n LEU 60 N 5.19 1.39 -4.88 1.23 4.77 -0.61 -0.48 117.00 123.62 3g3a n LEU 60 Ca -0.12 -1.80 -0.30 0.00 -0.03 0.00 0.00 56.01 53.76 3g3a n LEU 60 Cb 0.50 -0.14 0.02 0.00 -2.33 0.00 0.00 43.42 41.47 3g3a n LEU 60 CO 0.37 0.43 0.70 1.51 -1.33 0.00 0.00 177.39 179.07 3g3a s ASP 61 N -1.41 6.05 -1.21 -1.43 -4.77 -1.13 -4.14 116.67 108.64 3g3a s ASP 61 Ca 0.10 1.30 -0.07 0.00 -3.30 0.00 0.00 52.55 50.58 3g3a s ASP 61 Cb 0.09 -2.32 0.01 0.00 -1.09 0.00 0.00 42.92 39.61 3g3a s ASP 61 CO 0.01 -0.95 1.05 0.59 0.70 0.00 0.00 175.17 176.57 3g3a n ASN 62 N -2.76 -5.39 0.00 2.11 4.13 -0.55 -2.02 115.26 110.78 3g3a n ASN 62 Ca 0.06 -0.50 0.00 0.00 1.68 0.00 0.00 54.58 55.82 3g3a n ASN 62 Cb 0.55 -4.62 0.00 0.00 -1.54 0.00 0.00 39.78 34.16 3g3a n ASN 62 CO 0.00 0.00 0.00 0.59 0.28 0.00 0.00 177.26 178.13 3g3a n ASN 63 N -2.65 1.30 -0.92 6.41 3.02 -1.22 -2.87 115.26 118.33 3g3a n ASN 63 Ca -0.03 0.00 0.02 0.00 -0.03 0.00 0.00 54.58 54.54 3g3a n ASN 63 Cb 0.57 0.00 0.16 0.00 -0.61 0.00 0.00 39.78 39.90 3g3a n ASN 63 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3g3a n GLN 64 N 0.00 1.58 -1.69 3.52 6.02 0.72 -4.47 117.38 123.06 3g3a n GLN 64 Ca 0.00 -3.22 -0.42 0.00 -0.01 0.00 0.00 57.00 53.35 3g3a n GLN 64 Cb 0.00 -1.46 -0.03 0.00 1.02 0.00 0.00 30.24 29.77 3g3a n GLN 64 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 3g3a s LEU 65 N -2.83 4.42 -0.08 1.08 1.43 -0.93 -4.41 118.68 117.36 3g3a s LEU 65 Ca 0.39 2.73 0.14 0.00 -1.03 0.00 0.00 54.13 56.35 3g3a s LEU 65 Cb 0.38 -3.55 -0.21 0.00 0.03 0.00 0.00 46.19 42.84 3g3a s LEU 65 CO -0.07 -1.03 0.20 0.35 0.23 0.00 0.00 176.35 176.03 3g3a n THR 66 N 5.10 0.45 -3.65 5.49 -2.24 -1.20 0.17 114.28 118.40 3g3a n THR 66 Ca 0.19 -0.46 -0.13 0.00 -2.27 0.00 0.00 64.05 61.37 3g3a n THR 66 Cb 0.39 -0.21 -0.06 0.00 -2.10 0.00 0.00 70.33 68.35 3g3a n THR 66 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 3g3a s VAL 67 N -2.72 0.05 0.10 2.28 0.11 -1.26 -4.22 120.40 114.74 3g3a s VAL 67 Ca -0.06 -0.42 0.06 0.00 -2.93 0.00 0.00 61.98 58.62 3g3a s VAL 67 Cb 0.07 -0.96 -0.04 0.00 -1.53 0.00 0.00 36.38 33.92 3g3a s VAL 67 CO 0.61 -0.23 -0.02 -0.76 -3.33 0.00 0.00 175.10 171.36 3g3a s LEU 68 N -2.01 3.35 0.42 2.54 1.43 -1.26 -4.66 118.68 118.49 3g3a s LEU 68 Ca -0.05 -0.25 -0.22 0.00 -1.03 0.00 0.00 54.13 52.59 3g3a s LEU 68 Cb -0.01 -2.09 -0.11 0.00 0.03 0.00 0.00 46.19 44.01 3g3a s LEU 68 CO -0.02 0.17 0.95 -2.16 0.23 0.00 0.00 176.35 175.52 3g3a s PRO 69 N -2.34 4.25 0.34 1.29 0.04 -1.26 -4.78 135.00 132.54 3g3a s PRO 69 Ca 0.25 1.15 -0.28 0.00 0.04 0.00 0.00 61.00 62.16 3g3a s PRO 69 Cb -0.11 -2.24 -0.10 0.00 0.04 0.00 0.00 34.50 32.09 3g3a s PRO 69 CO 0.17 -0.02 1.26 0.00 0.04 0.00 0.00 177.00 178.45 3g3a s ALA 70 N -2.11 3.40 0.00 8.56 0.00 -1.26 -2.42 121.76 127.93 3g3a s ALA 70 Ca 0.61 1.16 0.00 0.00 0.00 0.00 0.00 51.96 53.73 3g3a s ALA 70 Cb -0.10 -3.44 0.00 0.00 0.00 0.00 0.00 23.12 19.57 3g3a s ALA 70 CO 0.14 -0.58 0.00 0.41 0.00 0.00 0.00 175.76 175.74 3g3a n GLY 71 N 0.82 0.31 0.45 0.00 0.00 -1.26 -4.91 105.19 100.59 3g3a n GLY 71 Ca 0.01 0.00 0.26 0.00 0.00 0.00 0.00 46.02 46.29 3g3a n GLY 71 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 173.32 172.93 3g3a h VAL 72 N 0.00 0.57 -0.36 1.61 -1.51 -1.82 -2.24 116.25 112.50 3g3a h VAL 72 Ca 0.00 -0.05 0.00 0.00 -1.23 0.00 0.00 66.70 65.42 3g3a h VAL 72 Cb 0.35 0.40 0.00 0.00 -2.13 0.00 0.00 31.29 29.91 3g3a h VAL 72 CO 0.00 0.03 0.00 0.49 -1.23 0.00 0.00 177.57 176.86 3g3a n PHE 73 N -4.37 0.62 0.30 5.19 3.72 -1.26 -4.43 117.46 117.22 3g3a n PHE 73 Ca 0.20 -0.57 0.16 0.00 -0.05 0.00 0.00 57.45 57.18 3g3a n PHE 73 Cb 0.91 -0.09 0.93 0.00 -0.94 0.00 0.00 39.48 40.29 3g3a n PHE 73 CO 0.00 0.00 0.00 -0.44 -0.05 0.00 0.00 176.76 176.27 3g3a h ASP 74 N 2.18 0.00 -0.04 4.37 3.32 -1.65 -2.51 116.42 122.09 3g3a h ASP 74 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 3g3a h ASP 74 Cb 0.90 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.45 3g3a h ASP 74 CO 0.05 0.00 0.00 0.29 -1.72 0.00 0.00 179.24 177.86 3g3a n LYS 75 N -3.79 2.20 -2.84 3.56 4.76 -1.26 -4.72 118.16 116.07 3g3a n LYS 75 Ca -0.03 -1.75 -0.42 0.00 -2.87 0.00 0.00 58.31 53.24 3g3a n LYS 75 Cb 0.09 -1.47 0.01 0.00 -1.84 0.00 0.00 35.03 31.82 3g3a n LYS 75 CO 0.00 0.00 0.00 1.28 -1.37 0.00 0.00 177.40 177.31 3g3a n LEU 76 N 1.12 6.81 -0.02 -0.35 4.77 -0.95 -4.66 117.00 123.72 3g3a n LEU 76 Ca 0.15 -5.27 0.15 0.00 -0.03 0.00 0.00 56.01 51.01 3g3a n LEU 76 Cb 0.55 -1.24 0.72 0.00 -2.33 0.00 0.00 43.42 41.12 3g3a n LEU 76 CO 0.15 1.83 0.99 0.35 -1.33 0.00 0.00 177.39 179.37 3g3a n THR 77 N 0.85 0.00 0.56 -5.08 -2.24 -1.26 -2.94 114.28 104.17 3g3a n THR 77 Ca 0.34 -0.01 0.06 0.00 -2.27 0.00 0.00 64.05 62.17 3g3a n THR 77 Cb 0.30 -0.42 -0.04 0.00 -2.10 0.00 0.00 70.33 68.07 3g3a n THR 77 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3g3a n GLN 78 N -1.25 2.55 -1.68 -0.78 6.02 -1.26 -3.89 117.38 117.09 3g3a n GLN 78 Ca 0.14 -0.31 -0.46 0.00 -0.01 0.00 0.00 57.00 56.35 3g3a n GLN 78 Cb 0.25 -1.11 -0.04 0.00 1.02 0.00 0.00 30.24 30.37 3g3a n GLN 78 CO 0.00 0.00 0.00 -0.11 -1.01 0.00 0.00 177.06 175.94 3g3a n LEU 79 N -0.79 3.59 -0.10 1.08 7.94 -0.81 -4.44 117.00 123.47 3g3a n LEU 79 Ca 0.04 0.97 -0.11 0.00 -1.11 0.00 0.00 56.01 55.80 3g3a n LEU 79 Cb 0.22 -1.42 -0.13 0.00 0.53 0.00 0.00 43.42 42.62 3g3a n LEU 79 CO 0.20 -0.02 -1.13 0.35 -1.11 0.00 0.00 177.39 175.69 3g3a n THR 80 N 4.97 1.26 -4.05 1.96 -2.24 0.77 -2.27 114.28 114.68 3g3a n THR 80 Ca 0.21 -0.70 -0.20 0.00 -2.27 0.00 0.00 64.05 61.09 3g3a n THR 80 Cb 0.32 -0.72 -0.16 0.00 -2.10 0.00 0.00 70.33 67.66 3g3a n THR 80 CO 0.00 0.00 0.00 -1.10 -0.57 0.00 0.00 175.07 173.40 3g3a s GLN 81 N -2.44 0.70 -0.04 -0.78 -0.21 -0.97 -0.21 119.66 115.70 3g3a s GLN 81 Ca -0.15 -0.04 -0.01 0.00 0.02 0.00 0.00 55.36 55.18 3g3a s GLN 81 Cb 0.06 -0.80 0.03 0.00 1.00 0.00 0.00 33.01 33.31 3g3a s GLN 81 CO 0.69 -0.13 0.08 -1.17 -2.12 0.00 0.00 175.29 172.64 3g3a s LEU 82 N 1.11 0.72 -0.12 2.90 2.96 -0.62 -0.82 118.68 124.81 3g3a s LEU 82 Ca -0.08 0.15 0.02 0.00 -0.22 0.00 0.00 54.13 54.00 3g3a s LEU 82 Cb -0.14 0.08 -0.00 0.00 0.50 0.00 0.00 46.19 46.64 3g3a s LEU 82 CO -0.01 -0.16 -0.20 -0.94 -1.32 0.00 0.00 176.35 173.71 3g3a s SER 83 N 1.38 3.34 0.00 3.68 1.04 -0.65 -2.07 113.70 120.42 3g3a s SER 83 Ca -0.06 -0.52 0.00 0.00 0.48 0.00 0.00 55.95 55.86 3g3a s SER 83 Cb -0.12 -1.48 0.00 0.00 0.10 0.00 0.00 66.02 64.52 3g3a s SER 83 CO -0.04 0.13 0.31 0.18 0.98 0.00 0.00 173.24 174.80 3g3a n LEU 84 N 3.73 0.62 -4.73 2.42 4.77 0.14 -1.57 117.00 122.38 3g3a n LEU 84 Ca -0.19 -0.69 -0.36 0.00 -0.03 0.00 0.00 56.01 54.73 3g3a n LEU 84 Cb 0.52 0.00 0.08 0.00 -2.33 0.00 0.00 43.42 41.69 3g3a n LEU 84 CO 0.28 0.15 0.87 0.54 -1.33 0.00 0.00 177.39 177.91 3g3a s ASN 85 N -0.15 4.45 -1.03 -1.43 4.22 -0.88 -3.93 114.94 116.20 3g3a s ASN 85 Ca 0.00 2.55 -0.07 0.00 -2.14 0.00 0.00 52.86 53.20 3g3a s ASN 85 Cb 0.00 -2.61 0.01 0.00 1.28 0.00 0.00 41.25 39.93 3g3a s ASN 85 CO 0.00 -2.10 0.87 0.47 -2.04 0.00 0.00 177.10 174.30 3g3a n ASP 86 N -2.16 -5.29 0.00 3.54 8.00 -0.38 -1.48 116.55 118.79 3g3a n ASP 86 Ca 0.15 -0.39 0.00 0.00 0.71 0.00 0.00 54.79 55.26 3g3a n ASP 86 Cb 0.49 -3.90 0.00 0.00 -0.02 0.00 0.00 41.12 37.69 3g3a n ASP 86 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 3g3a n ASN 87 N -1.86 1.23 -1.84 -2.24 4.13 -1.13 -3.09 115.26 110.45 3g3a n ASN 87 Ca 0.00 0.00 -0.21 0.00 1.68 0.00 0.00 54.58 56.06 3g3a n ASN 87 Cb 0.55 0.00 0.06 0.00 -1.54 0.00 0.00 39.78 38.85 3g3a n ASN 87 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 3g3a n GLN 88 N 0.00 3.13 -2.93 3.52 1.13 0.44 -4.51 117.38 118.16 3g3a n GLN 88 Ca 0.00 -3.88 -0.40 0.00 -1.94 0.00 0.00 57.00 50.78 3g3a n GLN 88 Cb 0.00 -2.17 -0.05 0.00 0.11 0.00 0.00 30.24 28.13 3g3a n GLN 88 CO 0.00 0.00 0.00 -0.51 -1.44 0.00 0.00 177.06 175.11 3g3a s LEU 89 N -3.56 4.48 -0.05 1.08 1.43 -0.92 -4.21 118.68 116.92 3g3a s LEU 89 Ca 0.51 1.54 0.17 0.00 -1.03 0.00 0.00 54.13 55.32 3g3a s LEU 89 Cb 0.42 -3.31 -0.26 0.00 0.03 0.00 0.00 46.19 43.07 3g3a s LEU 89 CO 0.02 0.02 0.33 0.29 0.23 0.00 0.00 176.35 177.24 3g3a n LYS 90 N 2.66 0.68 -3.72 1.70 5.02 -1.26 -3.18 118.16 120.06 3g3a n LYS 90 Ca -0.02 -0.13 -0.07 0.00 -2.02 0.00 0.00 58.31 56.07 3g3a n LYS 90 Cb 0.50 -1.42 -0.02 0.00 -0.02 0.00 0.00 35.03 34.07 3g3a n LYS 90 CO 0.00 0.00 0.00 -1.54 -0.52 0.00 0.00 177.40 175.34 3g3a s SER 91 N -4.24 -0.29 -0.12 4.39 1.04 -1.26 -1.43 113.70 111.79 3g3a s SER 91 Ca -0.07 -0.38 -0.01 0.00 0.48 0.00 0.00 55.95 55.97 3g3a s SER 91 Cb 0.10 0.58 -0.02 0.00 0.10 0.00 0.00 66.02 66.78 3g3a s SER 91 CO 0.73 -1.05 -0.08 -0.63 0.98 0.00 0.00 173.24 173.20 3g3a s ILE 92 N -3.57 3.58 0.22 -1.02 -1.09 -1.26 -4.77 121.20 113.28 3g3a s ILE 92 Ca 0.09 -0.49 -0.32 0.00 -2.23 0.00 0.00 60.65 57.71 3g3a s ILE 92 Cb -0.03 -2.52 -0.14 0.00 -1.58 0.00 0.00 42.46 38.19 3g3a s ILE 92 CO 0.01 0.54 1.26 -2.65 -1.23 0.00 0.00 174.94 172.86 3g3a n PRO 93 N 3.11 1.60 -1.67 2.79 -0.02 -1.26 -4.60 135.00 134.96 3g3a n PRO 93 Ca -0.18 0.57 -0.58 0.00 -2.02 0.00 0.00 63.50 61.29 3g3a n PRO 93 Cb 0.53 -2.13 -0.07 0.00 -0.02 0.00 0.00 33.50 31.80 3g3a n PRO 93 CO 0.00 0.00 0.00 -2.13 1.98 0.00 0.00 175.50 175.35 3g3a n ARG 94 N 1.76 0.86 -0.96 -0.52 0.63 -1.26 -1.37 116.66 115.79 3g3a n ARG 94 Ca 0.13 0.31 0.00 0.00 -0.92 0.00 0.00 57.85 57.37 3g3a n ARG 94 Cb 0.29 -1.94 0.00 0.00 0.45 0.00 0.00 32.46 31.26 3g3a n ARG 94 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 3g3a n GLY 95 N 3.52 0.82 0.38 5.14 0.00 -1.26 -4.92 105.19 108.88 3g3a n GLY 95 Ca 0.25 0.00 0.18 0.00 0.00 0.00 0.00 46.02 46.45 3g3a n GLY 95 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3g3a h ALA 96 N 0.00 1.98 -0.03 4.61 0.00 -1.57 -1.97 119.26 122.28 3g3a h ALA 96 Ca 0.00 0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.97 3g3a h ALA 96 Cb 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.77 3g3a h ALA 96 CO 0.00 -0.36 -0.04 1.19 0.00 0.00 0.00 179.25 180.04 3g3a n PHE 97 N -4.68 0.00 0.17 0.00 3.72 -1.26 -4.54 117.46 110.87 3g3a n PHE 97 Ca 0.24 0.00 0.06 0.00 -0.05 0.00 0.00 57.45 57.70 3g3a n PHE 97 Cb 0.72 -0.00 0.55 0.00 -0.94 0.00 0.00 39.48 39.81 3g3a n PHE 97 CO 0.00 0.00 0.00 -0.44 -0.05 0.00 0.00 176.76 176.27 3g3a h ASP 98 N 4.37 0.15 0.35 4.37 5.19 -1.75 -0.54 116.42 128.57 3g3a h ASP 98 Ca 0.00 -0.01 0.00 0.00 -0.62 0.00 0.00 57.03 56.40 3g3a h ASP 98 Cb 0.95 -0.04 0.00 0.00 0.18 0.00 0.00 39.33 40.42 3g3a h ASP 98 CO 0.00 0.14 -0.13 0.59 -3.12 0.00 0.00 179.24 176.71 3g3a n ASN 99 N -4.49 0.55 -3.44 6.45 4.13 -1.26 -4.58 115.26 112.62 3g3a n ASN 99 Ca -0.01 -0.60 -0.40 0.00 1.68 0.00 0.00 54.58 55.25 3g3a n ASN 99 Cb 0.10 -0.04 -0.01 0.00 -1.54 0.00 0.00 39.78 38.29 3g3a n ASN 99 CO 0.00 0.00 0.00 0.18 0.28 0.00 0.00 177.26 177.72 3g3a n LEU 100 N -0.92 8.25 0.32 3.41 4.77 -0.21 -4.46 117.00 128.16 3g3a n LEU 100 Ca 0.14 -4.71 0.22 0.00 -0.03 0.00 0.00 56.01 51.63 3g3a n LEU 100 Cb 0.29 -1.43 1.17 0.00 -2.33 0.00 0.00 43.42 41.12 3g3a n LEU 100 CO 0.24 2.04 1.16 0.07 -1.33 0.00 0.00 177.39 179.57 3g3a h LYS 101 N 4.77 0.00 -0.01 3.23 2.10 -1.81 -2.22 116.57 122.63 3g3a h LYS 101 Ca 0.75 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 59.40 3g3a h LYS 101 Cb 0.30 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.63 3g3a h LYS 101 CO 1.59 0.00 -0.50 0.43 -2.00 0.00 0.00 179.45 178.96 3g3a n SER 102 N -3.01 1.40 -4.73 7.07 7.64 -1.25 -5.01 113.62 115.73 3g3a n SER 102 Ca -0.03 -1.11 -0.42 0.00 1.01 0.00 0.00 58.87 58.32 3g3a n SER 102 Cb 0.07 0.44 -0.02 0.00 -1.01 0.00 0.00 64.21 63.69 3g3a n SER 102 CO 0.00 0.00 0.00 -0.11 -3.01 0.00 0.00 175.04 171.92 3g3a n LEU 103 N -0.61 4.09 0.00 -3.43 7.94 -0.84 -4.22 117.00 119.93 3g3a n LEU 103 Ca 0.09 1.13 0.00 0.00 -1.11 0.00 0.00 56.01 56.12 3g3a n LEU 103 Cb 0.40 -1.56 0.00 0.00 0.53 0.00 0.00 43.42 42.78 3g3a n LEU 103 CO 0.31 0.04 -0.42 0.35 -1.11 0.00 0.00 177.39 176.57 3g3a n THR 104 N 2.37 0.00 -3.68 1.96 -2.24 0.71 -4.98 114.28 108.42 3g3a n THR 104 Ca 0.10 0.00 -0.10 0.00 -2.27 0.00 0.00 64.05 61.78 3g3a n THR 104 Cb 0.35 0.30 -0.10 0.00 -2.10 0.00 0.00 70.33 68.78 3g3a n THR 104 CO 0.00 0.00 0.00 -1.00 -0.57 0.00 0.00 175.07 173.50 3g3a s HIS 105 N -1.68 -0.68 -0.02 4.78 3.76 -0.67 -4.60 115.29 116.18 3g3a s HIS 105 Ca 0.00 1.38 0.00 0.00 -0.15 0.00 0.00 55.06 56.29 3g3a s HIS 105 Cb 0.00 0.28 0.02 0.00 1.11 0.00 0.00 32.58 33.99 3g3a s HIS 105 CO 0.00 -0.40 0.00 -1.50 -0.85 0.00 0.00 174.74 172.00 3g3a s ILE 106 N 1.89 0.10 -0.17 0.60 2.07 -0.53 -1.59 121.20 123.58 3g3a s ILE 106 Ca -0.06 0.08 -0.05 0.00 -1.41 0.00 0.00 60.65 59.21 3g3a s ILE 106 Cb -0.10 -0.18 -0.03 0.00 0.13 0.00 0.00 42.46 42.29 3g3a s ILE 106 CO -0.13 0.10 -0.00 0.26 -1.91 0.00 0.00 174.94 173.26 3g3a s TRP 107 N 0.73 3.10 0.00 3.50 0.51 -0.88 -1.97 118.94 123.93 3g3a s TRP 107 Ca -0.07 -0.19 0.00 0.00 -2.12 0.00 0.00 56.10 53.72 3g3a s TRP 107 Cb -0.10 -2.00 0.00 0.00 -0.81 0.00 0.00 33.47 30.56 3g3a s TRP 107 CO -0.02 0.01 0.00 1.28 -0.51 0.00 0.00 176.95 177.72 3g3a n LEU 108 N 3.58 0.00 -4.69 2.99 4.77 -1.26 0.29 117.00 122.67 3g3a n LEU 108 Ca -0.17 -0.06 -0.29 0.00 -0.03 0.00 0.00 56.01 55.47 3g3a n LEU 108 Cb 0.52 0.00 0.18 0.00 -2.33 0.00 0.00 43.42 41.79 3g3a n LEU 108 CO 0.34 0.00 0.65 -1.48 -1.33 0.00 0.00 177.39 175.57 3g3a s LEU 109 N -0.24 1.58 -1.39 2.23 2.34 -1.26 -4.10 118.68 117.84 3g3a s LEU 109 Ca 0.00 1.09 -0.09 0.00 0.06 0.00 0.00 54.13 55.20 3g3a s LEU 109 Cb 0.00 -3.26 0.03 0.00 -0.56 0.00 0.00 46.19 42.40 3g3a s LEU 109 CO 0.00 -3.12 1.08 0.59 -1.06 0.00 0.00 176.35 173.83 3g3a n ASN 110 N -4.16 -5.07 -4.25 1.48 5.03 -1.26 -1.25 115.26 105.78 3g3a n ASN 110 Ca 0.06 -0.64 -0.26 0.00 0.87 0.00 0.00 54.58 54.60 3g3a n ASN 110 Cb 0.58 -4.65 -0.15 0.00 -1.02 0.00 0.00 39.78 34.54 3g3a n ASN 110 CO 0.00 0.00 0.00 0.20 -1.83 0.00 0.00 177.26 175.63 3g3a s ASN 111 N -3.51 2.54 -1.31 6.41 0.01 -1.26 -2.19 114.94 115.63 3g3a s ASN 111 Ca 0.50 -0.49 -0.09 0.00 -0.71 0.00 0.00 52.86 52.07 3g3a s ASN 111 Cb -0.23 -0.23 -0.09 0.00 0.41 0.00 0.00 41.25 41.10 3g3a s ASN 111 CO 0.76 0.20 3.01 -0.81 -1.51 0.00 0.00 177.10 178.75 3g3a n PRO 112 N 2.03 3.50 -1.61 -0.60 -0.04 -1.20 -4.70 135.00 132.38 3g3a n PRO 112 Ca -0.17 -2.15 -0.52 0.00 -0.04 0.00 0.00 63.50 60.63 3g3a n PRO 112 Cb 0.53 -2.64 -0.06 0.00 -0.04 0.00 0.00 33.50 31.29 3g3a n PRO 112 CO 0.00 0.00 0.00 0.91 -0.04 0.00 0.00 175.50 176.37 3g3a n TRP 113 N 3.15 1.62 -3.36 0.54 7.02 -1.19 -4.42 117.44 120.79 3g3a n TRP 113 Ca 0.71 0.59 -0.45 0.00 -1.02 0.00 0.00 57.50 57.33 3g3a n TRP 113 Cb 0.35 -2.36 -0.06 0.00 -2.42 0.00 0.00 31.31 26.82 3g3a n TRP 113 CO 0.00 0.00 0.00 0.34 -2.02 0.00 0.00 177.69 176.01 3g3a s ASP 114 N 0.73 6.11 0.00 -0.99 2.15 -0.52 -0.41 116.67 123.74 3g3a s ASP 114 Ca 0.85 -1.86 0.26 0.00 0.43 0.00 0.00 52.55 52.23 3g3a s ASP 114 Cb -0.93 -2.17 0.70 0.00 -0.30 0.00 0.00 42.92 40.22 3g3a s ASP 114 CO 0.47 -0.81 1.54 0.00 -0.17 0.00 0.00 175.17 176.20 3g3a h ALA 116 N 3.14 0.92 -2.61 0.00 0.00 -1.91 -3.44 119.26 115.36 3g3a h ALA 116 Ca 0.00 -0.49 -0.53 0.00 0.00 0.00 0.00 54.91 53.89 3g3a h ALA 116 Cb 0.49 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 18.16 3g3a h ALA 116 CO 0.00 0.67 0.09 0.00 0.00 0.00 0.00 179.25 180.01 3g3a n SER 118 N 1.10 0.00 0.22 0.00 7.64 -1.19 -2.18 113.62 119.21 3g3a n SER 118 Ca -0.05 -0.43 0.08 0.00 1.01 0.00 0.00 58.87 59.49 3g3a n SER 118 Cb 0.50 -0.13 0.49 0.00 -1.01 0.00 0.00 64.21 64.06 3g3a n SER 118 CO 0.00 0.00 0.00 0.44 -3.01 0.00 0.00 175.04 172.47 3g3a h ASP 119 N 0.00 0.00 0.59 6.43 3.32 -1.90 -3.17 116.42 121.69 3g3a h ASP 119 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 3g3a h ASP 119 Cb 0.10 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.65 3g3a h ASP 119 CO 0.00 0.26 0.00 0.00 -1.72 0.00 0.00 179.24 177.78 3g3a n ILE 120 N -3.60 0.90 -0.01 0.35 0.13 -0.93 -3.85 119.36 112.35 3g3a n ILE 120 Ca -0.01 0.31 -0.08 0.00 -1.10 0.00 0.00 62.75 61.87 3g3a n ILE 120 Cb 0.39 -1.23 0.10 0.00 -0.84 0.00 0.00 39.64 38.06 3g3a n ILE 120 CO 0.00 0.00 0.00 -0.07 2.80 0.00 0.00 176.55 179.28 3g3a h LEU 121 N 0.00 0.62 -0.15 9.51 3.38 -1.78 -2.11 115.31 124.78 3g3a h LEU 121 Ca 0.00 -0.28 0.04 0.00 0.09 0.00 0.00 57.88 57.73 3g3a h LEU 121 Cb 0.29 -0.17 -0.05 0.00 0.09 0.00 0.00 40.66 40.82 3g3a h LEU 121 CO 0.00 0.96 -0.12 0.22 0.09 0.00 0.00 178.44 179.58 3g3a h TYR 122 N 0.48 -0.31 -0.27 1.13 3.20 -1.84 -1.40 116.97 117.96 3g3a h TYR 122 Ca 0.04 0.02 -0.00 0.00 3.14 0.00 0.00 58.73 61.93 3g3a h TYR 122 Cb 0.91 0.16 -0.01 0.00 1.54 0.00 0.00 36.73 39.33 3g3a h TYR 122 CO 0.04 -0.19 0.16 1.25 -1.64 0.00 0.00 178.16 177.78 3g3a h LEU 123 N -0.14 0.33 -0.65 2.82 5.85 -1.74 -0.26 115.31 121.53 3g3a h LEU 123 Ca 0.10 -0.07 0.12 0.00 0.84 0.00 0.00 57.88 58.86 3g3a h LEU 123 Cb 0.28 -0.08 -0.08 0.00 0.37 0.00 0.00 40.66 41.14 3g3a h LEU 123 CO -0.24 0.31 0.21 -1.28 -0.34 0.00 0.00 178.44 177.10 3g3a h SER 124 N 0.33 0.15 0.34 1.25 0.87 -1.16 -1.46 113.55 113.88 3g3a h SER 124 Ca 0.10 0.10 -0.19 0.00 -1.23 0.00 0.00 61.79 60.57 3g3a h SER 124 Cb 0.04 0.10 -0.01 0.00 -0.44 0.00 0.00 62.40 62.10 3g3a h SER 124 CO -0.02 0.08 -0.79 0.03 -0.53 0.00 0.00 176.83 175.60 3g3a h ARG 125 N 0.36 0.35 -0.49 2.24 3.08 -1.08 -2.81 114.38 116.04 3g3a h ARG 125 Ca 0.34 -0.32 -0.05 0.00 0.07 0.00 0.00 59.98 60.03 3g3a h ARG 125 Cb 0.49 0.08 -0.02 0.00 0.08 0.00 0.00 29.97 30.59 3g3a h ARG 125 CO -0.37 0.98 0.12 2.35 -1.07 0.00 0.00 179.97 181.98 3g3a h TRP 126 N 0.23 0.81 -0.21 3.04 7.01 -0.46 -1.35 115.95 125.02 3g3a h TRP 126 Ca -0.04 -0.09 -0.03 0.00 2.11 0.00 0.00 58.89 60.84 3g3a h TRP 126 Cb 1.38 -0.23 -0.01 0.00 -2.10 0.00 0.00 29.16 28.20 3g3a h TRP 126 CO 0.04 0.73 0.02 0.82 -2.79 0.00 0.00 178.44 177.26 3g3a h ILE 127 N 0.66 1.24 0.00 2.65 2.04 -1.35 0.47 117.51 123.23 3g3a h ILE 127 Ca 0.15 -0.80 -0.02 0.00 1.00 0.00 0.00 64.86 65.19 3g3a h ILE 127 Cb 0.32 1.37 -0.00 0.00 -0.74 0.00 0.00 36.82 37.76 3g3a h ILE 127 CO 0.00 0.25 -0.10 0.28 0.00 0.00 0.00 178.15 178.57 3g3a h SER 128 N 0.13 0.00 1.33 1.72 0.02 -1.49 -1.77 113.55 113.50 3g3a h SER 128 Ca 0.06 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.01 3g3a h SER 128 Cb 0.35 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.89 3g3a h SER 128 CO 0.01 0.10 -0.25 1.56 -1.14 0.00 0.00 176.83 177.11 3g3a h GLN 129 N 0.00 0.00 -1.59 3.45 4.20 -0.90 -3.38 115.11 116.88 3g3a h GLN 129 Ca -0.00 0.00 -0.51 0.00 0.06 0.00 0.00 58.65 58.20 3g3a h GLN 129 Cb 0.19 0.00 -0.41 0.00 0.30 0.00 0.00 27.48 27.56 3g3a h GLN 129 CO 0.01 0.00 -0.90 0.72 -0.67 0.00 0.00 178.83 177.99 3g3a n HIS 130 N -2.35 2.51 0.30 2.96 8.25 0.13 -4.95 115.22 122.06 3g3a n HIS 130 Ca 0.04 -3.30 0.18 0.00 -0.26 0.00 0.00 57.72 54.39 3g3a n HIS 130 Cb 0.45 -0.29 0.80 0.00 1.12 0.00 0.00 29.99 32.07 3g3a n HIS 130 CO 0.00 0.00 0.00 -1.00 0.64 0.00 0.00 176.34 175.98 3g3a h PRO 131 N 2.83 0.00 -0.00 -0.41 0.13 -1.71 -0.77 132.00 132.06 3g3a h PRO 131 Ca 0.13 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.26 3g3a h PRO 131 Cb 0.91 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.04 3g3a h PRO 131 CO 0.70 0.00 -0.21 0.41 -0.23 0.00 0.00 178.00 178.67 3g3a n GLY 132 N -0.26 -1.03 0.01 1.56 0.00 -1.26 -4.46 105.19 99.75 3g3a n GLY 132 Ca -0.00 -0.29 0.11 0.00 0.00 0.00 0.00 46.02 45.84 3g3a n GLY 132 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3g3a n LEU 133 N -1.10 0.33 -4.72 0.99 4.77 -0.30 -4.91 117.00 112.07 3g3a n LEU 133 Ca 0.11 -0.15 -0.37 0.00 -0.03 0.00 0.00 56.01 55.57 3g3a n LEU 133 Cb 0.31 -0.00 -0.07 0.00 -2.33 0.00 0.00 43.42 41.33 3g3a n LEU 133 CO 0.27 0.08 0.04 -0.69 -1.33 0.00 0.00 177.39 175.76 3g3a s VAL 134 N -3.35 5.27 -0.05 4.08 1.01 -1.26 -1.45 120.40 124.65 3g3a s VAL 134 Ca -0.03 0.67 0.05 0.00 0.00 0.00 0.00 61.98 62.67 3g3a s VAL 134 Cb 0.15 -3.69 -0.00 0.00 0.00 0.00 0.00 36.38 32.83 3g3a s VAL 134 CO 0.89 0.36 -0.19 -0.36 0.00 0.00 0.00 175.10 175.80 3g3a s PHE 135 N 0.57 1.90 0.00 5.22 0.08 -0.83 0.12 117.98 125.04 3g3a s PHE 135 Ca 0.19 -0.56 0.00 0.00 0.12 0.00 0.00 56.93 56.68 3g3a s PHE 135 Cb -0.14 -1.27 0.00 0.00 -0.57 0.00 0.00 43.02 41.04 3g3a s PHE 135 CO 0.06 -0.18 0.00 0.41 -0.10 0.00 0.00 175.22 175.41 3g3a n GLY 136 N 3.10 2.11 0.18 4.36 0.00 -0.95 -4.32 105.19 109.67 3g3a n GLY 136 Ca -0.18 -1.85 0.14 0.00 0.00 0.00 0.00 46.02 44.13 3g3a n GLY 136 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 173.32 172.35 3g3a h TYR 137 N 0.00 0.00 0.00 1.61 0.05 -1.98 -3.42 116.97 113.23 3g3a h TYR 137 Ca 0.00 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.78 3g3a h TYR 137 Cb 0.00 0.00 0.00 0.00 1.01 0.00 0.00 36.73 37.74 3g3a h TYR 137 CO 0.00 0.00 0.00 1.28 -1.05 0.00 0.00 178.16 178.39 3g3a n LEU 138 N -2.54 0.00 0.00 3.88 4.77 -1.26 -5.16 117.00 116.69 3g3a n LEU 138 Ca 0.02 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.00 3g3a n LEU 138 Cb 0.29 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.38 3g3a n LEU 138 CO 0.24 0.00 0.00 0.59 -1.33 0.00 0.00 177.39 176.89 3g3a n ASN 139 N 0.00 0.30 -4.58 -1.43 4.13 -1.26 -5.04 115.26 107.38 3g3a n ASN 139 Ca 0.00 0.00 -0.50 0.00 1.68 0.00 0.00 54.58 55.76 3g3a n ASN 139 Cb 0.00 0.00 -0.05 0.00 -1.54 0.00 0.00 39.78 38.19 3g3a n ASN 139 CO 0.00 0.00 0.00 -0.11 0.28 0.00 0.00 177.26 177.43 3g3a n LEU 140 N 0.00 1.57 -3.05 3.41 0.00 -1.26 -2.24 117.00 115.42 3g3a n LEU 140 Ca 0.00 1.13 0.03 0.00 0.00 0.00 0.00 56.01 57.17 3g3a n LEU 140 Cb 0.00 -1.20 -0.00 0.00 0.00 0.00 0.00 43.42 42.22 3g3a n LEU 140 CO 0.00 -1.19 0.32 -0.62 0.00 0.00 0.00 177.39 175.89 3g3a s ASP 141 N 0.21 -0.91 0.00 1.96 2.15 0.33 -4.80 116.67 115.61 3g3a s ASP 141 Ca 0.78 -0.19 0.22 0.00 0.43 0.00 0.00 52.55 53.79 3g3a s ASP 141 Cb -0.90 1.34 1.01 0.00 -0.30 0.00 0.00 42.92 44.08 3g3a s ASP 141 CO 0.50 -0.13 1.70 -0.81 -0.17 0.00 0.00 175.17 176.26 3g3a n PRO 142 N 4.59 0.15 0.00 4.34 -0.04 -1.24 -2.01 135.00 140.79 3g3a n PRO 142 Ca 0.08 0.11 0.14 0.00 -0.04 0.00 0.00 63.50 63.78 3g3a n PRO 142 Cb 0.58 -1.50 0.59 0.00 -0.04 0.00 0.00 33.50 33.14 3g3a n PRO 142 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 3g3a n ASP 143 N -1.40 0.52 0.25 3.54 8.00 -1.26 -4.35 116.55 121.85 3g3a n ASP 143 Ca 0.08 -0.61 0.12 0.00 0.71 0.00 0.00 54.79 55.09 3g3a n ASP 143 Cb 0.22 -0.06 0.67 0.00 -0.02 0.00 0.00 41.12 41.92 3g3a n ASP 143 CO 0.00 0.00 0.00 0.77 -0.39 0.00 0.00 177.20 177.58 3g3a h SER 144 N 0.63 0.00 -3.39 -2.24 4.64 -1.78 -3.39 113.55 108.02 3g3a h SER 144 Ca 0.00 0.00 -0.56 0.00 -0.47 0.00 0.00 61.79 60.76 3g3a h SER 144 Cb 0.37 0.00 -0.06 0.00 -0.31 0.00 0.00 62.40 62.40 3g3a h SER 144 CO 0.00 0.14 1.01 0.00 -0.87 0.00 0.00 176.83 177.11 3g3a s ALA 145 N -4.03 3.05 0.05 5.18 0.00 -1.26 -4.32 121.76 120.44 3g3a s ALA 145 Ca -0.02 -0.42 0.05 0.00 0.00 0.00 0.00 51.96 51.57 3g3a s ALA 145 Cb 0.12 -3.96 -0.04 0.00 0.00 0.00 0.00 23.12 19.25 3g3a s ALA 145 CO 0.59 -2.45 -0.09 1.03 0.00 0.00 0.00 175.76 174.84 3g3a s ARG 146 N 4.84 2.31 0.27 0.00 1.81 -1.26 -1.05 118.95 125.88 3g3a s ARG 146 Ca 0.53 -0.89 -0.30 0.00 -1.72 0.00 0.00 55.73 53.35 3g3a s ARG 146 Cb -0.10 -2.38 -0.11 0.00 -0.45 0.00 0.00 34.95 31.91 3g3a s ARG 146 CO 0.31 0.55 1.61 0.00 -0.68 0.00 0.00 175.30 177.09 3g3a n SER 148 N 2.51 1.96 0.00 0.00 2.88 0.45 -1.12 113.62 120.30 3g3a n SER 148 Ca 0.09 1.06 0.00 0.00 -1.33 0.00 0.00 58.87 58.70 3g3a n SER 148 Cb 0.37 -1.44 0.00 0.00 -0.75 0.00 0.00 64.21 62.39 3g3a n SER 148 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 3g3a n GLY 149 N 0.98 1.02 0.10 0.46 0.00 -1.26 -4.27 105.19 102.21 3g3a n GLY 149 Ca 0.08 -0.02 -0.04 0.00 0.00 0.00 0.00 46.02 46.04 3g3a n GLY 149 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 3g3a h THR 150 N 0.00 1.58 -0.41 2.61 1.35 -1.99 -3.48 112.91 112.58 3g3a h THR 150 Ca 0.00 -2.76 -0.18 0.00 -0.55 0.00 0.00 66.41 62.92 3g3a h THR 150 Cb 0.00 2.49 -0.07 0.00 -1.73 0.00 0.00 68.15 68.84 3g3a h THR 150 CO 0.00 0.79 -0.16 -3.20 -0.25 0.00 0.00 175.52 172.70 3g3a n ASN 151 N -3.58 -5.31 -4.77 5.36 4.05 -0.28 -4.98 115.26 105.75 3g3a n ASN 151 Ca -0.01 0.21 -0.41 0.00 0.45 0.00 0.00 54.58 54.82 3g3a n ASN 151 Cb 0.78 -3.56 -0.01 0.00 1.23 0.00 0.00 39.78 38.22 3g3a n ASN 151 CO 0.00 0.00 0.00 -0.89 -3.05 0.00 0.00 177.26 173.32 3g3a s THR 152 N -1.89 2.20 0.26 -0.44 2.01 -1.26 -4.57 115.64 111.94 3g3a s THR 152 Ca 0.00 0.19 -0.31 0.00 0.31 0.00 0.00 61.69 61.88 3g3a s THR 152 Cb 0.00 -3.12 -0.13 0.00 0.01 0.00 0.00 72.50 69.26 3g3a s THR 152 CO 0.00 0.04 1.51 -2.65 -0.69 0.00 0.00 174.62 172.83 3g3a n PRO 153 N 0.88 2.36 -0.32 4.92 -0.02 -1.26 0.26 135.00 141.82 3g3a n PRO 153 Ca 0.02 0.84 0.15 0.00 -2.02 0.00 0.00 63.50 62.49 3g3a n PRO 153 Cb 0.39 -2.56 0.38 0.00 -0.02 0.00 0.00 33.50 31.69 3g3a n PRO 153 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 3g3a h VAL 154 N 3.22 0.72 0.00 -1.45 2.07 -1.39 -1.25 116.25 118.17 3g3a h VAL 154 Ca -0.46 -0.23 -0.01 0.00 0.82 0.00 0.00 66.70 66.82 3g3a h VAL 154 Cb 1.25 -0.00 -0.00 0.00 -1.52 0.00 0.00 31.29 31.02 3g3a h VAL 154 CO 0.78 0.12 -0.05 0.08 0.02 0.00 0.00 177.57 178.52 3g3a h ARG 155 N 0.66 0.00 0.00 1.57 0.11 -1.80 -2.48 114.38 112.44 3g3a h ARG 155 Ca 0.53 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.61 3g3a h ARG 155 Cb 0.96 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.04 3g3a h ARG 155 CO -0.30 0.05 -0.12 0.00 0.10 0.00 0.00 179.97 179.71 3g3a n ALA 156 N -2.27 2.44 -1.98 0.08 0.00 -0.47 -4.85 120.51 113.45 3g3a n ALA 156 Ca -0.02 -0.08 -0.42 0.00 0.00 0.00 0.00 53.44 52.91 3g3a n ALA 156 Cb 0.16 -1.41 -0.03 0.00 0.00 0.00 0.00 19.45 18.17 3g3a n ALA 156 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 3g3a s VAL 157 N -3.09 3.14 0.23 0.00 1.01 -0.93 -5.01 120.40 115.74 3g3a s VAL 157 Ca 0.11 0.60 -0.12 0.00 0.00 0.00 0.00 61.98 62.56 3g3a s VAL 157 Cb 0.14 -3.39 -0.07 0.00 0.00 0.00 0.00 36.38 33.06 3g3a s VAL 157 CO 0.61 0.00 0.59 0.42 0.00 0.00 0.00 175.10 176.72 3g3a s THR 158 N 2.52 4.86 0.34 3.92 -4.23 -1.26 -4.94 115.64 116.85 3g3a s THR 158 Ca 0.72 0.66 0.03 0.00 -1.18 0.00 0.00 61.69 61.92 3g3a s THR 158 Cb -0.38 -3.65 0.28 0.00 1.34 0.00 0.00 72.50 70.08 3g3a s THR 158 CO 0.31 -0.01 1.97 -0.08 -0.54 0.00 0.00 174.62 176.28 3g3a h GLU 159 N 2.77 0.86 0.00 3.99 4.81 -1.95 -2.59 114.58 122.46 3g3a h GLU 159 Ca -0.47 -0.05 -0.10 0.00 -0.13 0.00 0.00 59.36 58.61 3g3a h GLU 159 Cb 1.18 -0.19 -0.01 0.00 0.63 0.00 0.00 28.75 30.35 3g3a h GLU 159 CO 0.68 0.57 -0.46 0.00 -0.73 0.00 0.00 179.01 179.06 3g3a h ALA 160 N 1.58 1.10 0.00 2.92 0.00 -2.03 -2.44 119.26 120.38 3g3a h ALA 160 Ca 0.29 -0.42 0.00 0.00 0.00 0.00 0.00 54.91 54.78 3g3a h ALA 160 Cb 0.06 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.77 3g3a h ALA 160 CO -0.08 0.58 0.00 0.66 0.00 0.00 0.00 179.25 180.41 3g3a h SER 161 N 0.00 0.00 -2.87 0.00 4.64 -1.87 -3.45 113.55 110.00 3g3a h SER 161 Ca -0.00 0.00 -0.47 0.00 -0.47 0.00 0.00 61.79 60.85 3g3a h SER 161 Cb 0.90 0.00 0.02 0.00 -0.31 0.00 0.00 62.40 63.01 3g3a h SER 161 CO 0.06 0.00 -0.10 0.42 -0.87 0.00 0.00 176.83 176.34 3g3a s THR 162 N -3.51 4.48 -0.05 2.95 -4.23 -0.92 -4.94 115.64 109.42 3g3a s THR 162 Ca 0.03 -0.40 -0.03 0.00 -1.18 0.00 0.00 61.69 60.11 3g3a s THR 162 Cb 0.09 -3.66 0.03 0.00 1.34 0.00 0.00 72.50 70.30 3g3a s THR 162 CO 0.52 -0.47 0.11 -0.55 -0.54 0.00 0.00 174.62 173.70 3g3a s SER 163 N -4.14 -0.08 0.00 3.99 0.15 -0.61 -4.88 113.70 108.13 3g3a s SER 163 Ca 0.45 0.23 0.05 0.00 0.70 0.00 0.00 55.95 57.38 3g3a s SER 163 Cb -0.10 0.16 0.21 0.00 -1.71 0.00 0.00 66.02 64.58 3g3a s SER 163 CO 0.38 -0.11 1.16 -0.81 1.20 0.00 0.00 173.24 175.06 3g3a n PRO 164 N 3.82 0.00 -0.36 5.44 -0.04 -1.26 -1.26 135.00 141.34 3g3a n PRO 164 Ca -0.22 0.41 0.11 0.00 -0.04 0.00 0.00 63.50 63.76 3g3a n PRO 164 Cb 0.54 -1.50 0.31 0.00 -0.04 0.00 0.00 33.50 32.80 3g3a n PRO 164 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 3g3a n SER 165 N -1.50 3.73 -1.20 3.54 3.41 -1.26 -3.58 113.62 116.76 3g3a n SER 165 Ca 0.01 -2.02 -0.06 0.00 -0.26 0.00 0.00 58.87 56.53 3g3a n SER 165 Cb 0.06 -0.47 0.15 0.00 -0.26 0.00 0.00 64.21 63.69 3g3a n SER 165 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 3g3a n LYS 166 N 1.49 2.26 0.00 4.33 5.02 -0.39 -5.12 118.16 125.76 3g3a n LYS 166 Ca 0.23 -3.53 0.08 0.00 -2.02 0.00 0.00 58.31 53.07 3g3a n LYS 166 Cb 0.59 -1.88 0.07 0.00 -0.02 0.00 0.00 35.03 33.79 3g3a n LYS 166 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88