#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 2.26 1.43 -0.31 0.00 -0.02 -1.23 -4.87 135.00 132.25 3g3a n PRO 3 Ca -0.16 0.52 -0.00 0.00 -2.02 0.00 0.00 63.50 61.83 3g3a n PRO 3 Cb 0.52 -2.15 0.18 0.00 -0.02 0.00 0.00 33.50 32.02 3g3a n PRO 3 CO 0.00 0.00 0.00 0.77 1.98 0.00 0.00 175.50 178.25 3g3a h SER 4 N 1.52 1.02 0.54 2.55 0.02 -1.94 -2.64 113.55 114.62 3g3a h SER 4 Ca -0.46 -0.02 -0.01 0.00 -0.84 0.00 0.00 61.79 60.46 3g3a h SER 4 Cb 1.33 -0.25 -0.00 0.00 0.14 0.00 0.00 62.40 63.62 3g3a h SER 4 CO 0.57 0.73 -0.03 1.56 -1.14 0.00 0.00 176.83 178.51 3g3a h GLN 5 N 1.20 0.00 -5.87 3.45 7.50 -1.96 -3.46 115.11 115.97 3g3a h GLN 5 Ca 0.34 0.00 -0.60 0.00 0.50 0.00 0.00 58.65 58.89 3g3a h GLN 5 Cb -0.09 0.00 -0.12 0.00 0.05 0.00 0.00 27.48 27.32 3g3a h GLN 5 CO -0.08 0.03 -0.61 0.00 -1.50 0.00 0.00 178.83 176.67 3g3a s SER 7 N -3.72 5.37 0.10 0.00 0.01 0.22 -4.75 113.70 110.93 3g3a s SER 7 Ca 0.35 0.17 0.09 0.00 1.31 0.00 0.00 55.95 57.87 3g3a s SER 7 Cb 0.04 -1.53 -0.04 0.00 0.21 0.00 0.00 66.02 64.71 3g3a s SER 7 CO 0.19 0.37 -0.23 0.00 0.41 0.00 0.00 173.24 173.97 3g3a n SER 9 N 1.12 0.08 0.00 0.00 2.88 -0.97 -5.03 113.62 111.70 3g3a n SER 9 Ca -0.19 0.02 0.00 0.00 -1.33 0.00 0.00 58.87 57.38 3g3a n SER 9 Cb 0.53 -0.01 0.00 0.00 -0.75 0.00 0.00 64.21 63.98 3g3a n SER 9 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 3g3a n GLY 10 N 2.95 1.04 1.27 0.46 0.00 -1.26 -4.90 105.19 104.76 3g3a n GLY 10 Ca 0.00 -0.01 0.09 0.00 0.00 0.00 0.00 46.02 46.10 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 1.19 -3.45 2.61 -2.24 -1.26 -4.92 114.28 106.21 3g3a n THR 11 Ca 0.00 -0.91 -0.38 0.00 -2.27 0.00 0.00 64.05 60.49 3g3a n THR 11 Cb 0.00 0.24 -0.06 0.00 -2.10 0.00 0.00 70.33 68.40 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 -1.49 5.11 -0.16 4.28 2.01 -1.26 -1.53 115.64 122.59 3g3a s THR 12 Ca 0.43 0.83 -0.00 0.00 0.31 0.00 0.00 61.69 63.26 3g3a s THR 12 Cb 0.25 -3.73 0.04 0.00 0.01 0.00 0.00 72.50 69.07 3g3a s THR 12 CO 0.25 0.49 -0.07 -0.69 -0.69 0.00 0.00 174.62 173.90 3g3a s VAL 13 N -0.41 1.24 -0.42 3.82 1.01 -0.33 -2.30 120.40 123.01 3g3a s VAL 13 Ca 0.23 -0.66 -0.07 0.00 0.00 0.00 0.00 61.98 61.49 3g3a s VAL 13 Cb -0.16 -1.35 0.09 0.00 0.00 0.00 0.00 36.38 34.96 3g3a s VAL 13 CO 0.11 0.20 0.24 -0.62 0.00 0.00 0.00 175.10 175.03 3g3a s ASP 14 N 1.58 5.48 -0.26 3.32 2.15 0.25 -1.05 116.67 128.15 3g3a s ASP 14 Ca 0.01 -1.73 0.13 0.00 0.43 0.00 0.00 52.55 51.39 3g3a s ASP 14 Cb -0.15 -1.93 0.60 0.00 -0.30 0.00 0.00 42.92 41.15 3g3a s ASP 14 CO -0.08 -0.55 1.57 0.00 -0.17 0.00 0.00 175.17 175.93 3g3a s SER 16 N -1.78 7.38 -0.35 0.00 1.04 -0.95 -4.20 113.70 114.84 3g3a s SER 16 Ca 0.47 2.09 0.00 0.00 0.48 0.00 0.00 55.95 58.99 3g3a s SER 16 Cb 0.39 -2.61 0.00 0.00 0.10 0.00 0.00 66.02 63.90 3g3a s SER 16 CO 0.08 -0.09 0.00 0.61 0.98 0.00 0.00 173.24 174.82 3g3a n GLY 17 N 1.66 0.39 0.81 7.32 0.00 -0.59 -4.91 105.19 109.87 3g3a n GLY 17 Ca 0.00 -0.80 0.07 0.00 0.00 0.00 0.00 46.02 45.30 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 -1.94 2.86 -3.56 1.61 4.76 -1.26 -4.97 118.16 115.66 3g3a n LYS 18 Ca -0.04 -2.22 -0.26 0.00 -2.87 0.00 0.00 58.31 52.92 3g3a n LYS 18 Cb 0.38 -1.36 0.04 0.00 -1.84 0.00 0.00 35.03 32.25 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 0.74 -5.55 -4.77 4.39 7.64 -1.26 -4.95 113.62 109.86 3g3a n SER 19 Ca 0.15 -0.55 -0.38 0.00 1.01 0.00 0.00 58.87 59.09 3g3a n SER 19 Cb 0.49 -4.43 -0.06 0.00 -1.01 0.00 0.00 64.21 59.20 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 -7.09 4.48 -0.00 -3.43 1.43 -1.26 -4.73 118.68 108.07 3g3a s LEU 20 Ca 0.54 1.90 0.22 0.00 -1.03 0.00 0.00 54.13 55.76 3g3a s LEU 20 Cb -0.25 -3.83 -0.22 0.00 0.03 0.00 0.00 46.19 41.92 3g3a s LEU 20 CO 0.66 0.02 0.75 0.00 0.23 0.00 0.00 176.35 178.02 3g3a n ALA 21 N 0.97 3.68 -3.26 4.21 0.00 -1.26 -0.19 120.51 124.66 3g3a n ALA 21 Ca 0.00 -0.53 -0.09 0.00 0.00 0.00 0.00 53.44 52.83 3g3a n ALA 21 Cb 0.49 -0.80 -0.04 0.00 0.00 0.00 0.00 19.45 19.09 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 -3.83 -0.16 0.06 0.00 1.04 -1.26 -4.16 113.70 105.39 3g3a s SER 22 Ca 0.01 -0.72 -0.32 0.00 0.48 0.00 0.00 55.95 55.40 3g3a s SER 22 Cb 0.15 0.59 -0.11 0.00 0.10 0.00 0.00 66.02 66.74 3g3a s SER 22 CO 0.87 -1.11 1.85 0.52 0.98 0.00 0.00 173.24 176.35 3g3a n VAL 23 N -0.36 0.45 -1.81 5.02 0.31 -1.26 -4.98 118.33 115.70 3g3a n VAL 23 Ca -0.06 -0.08 -0.38 0.00 -0.01 0.00 0.00 64.34 63.82 3g3a n VAL 23 Cb 0.62 -2.04 0.05 0.00 -0.91 0.00 0.00 33.84 31.55 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 3.15 2.99 0.58 5.55 0.02 -1.26 -5.04 135.00 140.99 3g3a s PRO 24 Ca 0.85 2.14 -0.16 0.00 0.02 0.00 0.00 61.00 63.85 3g3a s PRO 24 Cb -0.54 -2.13 -0.04 0.00 0.02 0.00 0.00 34.50 31.81 3g3a s PRO 24 CO 0.41 -1.28 1.05 0.95 -0.33 0.00 0.00 177.00 177.81 3g3a s THR 25 N -1.36 3.89 0.00 0.99 -4.23 -1.26 -4.34 115.64 109.33 3g3a s THR 25 Ca 0.75 0.92 0.00 0.00 -1.18 0.00 0.00 61.69 62.17 3g3a s THR 25 Cb -0.38 -3.43 0.00 0.00 1.34 0.00 0.00 72.50 70.03 3g3a s THR 25 CO 0.44 -0.51 0.00 0.61 -0.54 0.00 0.00 174.62 174.62 3g3a n GLY 26 N -0.99 0.78 3.67 3.99 0.00 -1.26 -4.59 105.19 106.80 3g3a n GLY 26 Ca 0.09 -0.49 -0.42 0.00 0.00 0.00 0.00 46.02 45.19 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 4.77 0.43 -0.61 -1.09 -1.26 -3.56 121.20 117.88 3g3a s ILE 27 Ca 0.00 1.94 -0.25 0.00 -2.23 0.00 0.00 60.65 60.11 3g3a s ILE 27 Cb 0.00 -4.27 -0.10 0.00 -1.58 0.00 0.00 42.46 36.51 3g3a s ILE 27 CO 0.00 -0.06 1.15 -2.65 -1.23 0.00 0.00 174.94 172.16 3g3a n PRO 28 N 5.53 1.63 0.14 2.79 -0.02 -1.26 -4.90 135.00 138.92 3g3a n PRO 28 Ca 0.09 0.58 0.12 0.00 -2.02 0.00 0.00 63.50 62.28 3g3a n PRO 28 Cb 0.48 -2.24 0.50 0.00 -0.02 0.00 0.00 33.50 32.22 3g3a n PRO 28 CO 0.00 0.00 0.00 1.79 1.98 0.00 0.00 175.50 179.27 3g3a h THR 29 N 1.76 0.00 -0.01 3.45 1.35 -1.95 -2.65 112.91 114.86 3g3a h THR 29 Ca -0.47 -0.28 0.00 0.00 -0.55 0.00 0.00 66.41 65.12 3g3a h THR 29 Cb 1.32 1.05 0.00 0.00 -1.73 0.00 0.00 68.15 68.79 3g3a h THR 29 CO 0.58 0.00 -0.08 0.35 -0.25 0.00 0.00 175.52 176.12 3g3a n THR 30 N -2.31 0.00 -1.69 6.82 -2.24 -1.26 -4.36 114.28 109.25 3g3a n THR 30 Ca 0.02 -0.17 -0.45 0.00 -2.27 0.00 0.00 64.05 61.18 3g3a n THR 30 Cb 0.25 0.31 -0.04 0.00 -2.10 0.00 0.00 70.33 68.76 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 -0.27 0.02 -0.07 4.28 -1.04 -1.00 -4.90 114.28 111.31 3g3a n THR 31 Ca 0.17 -0.01 -0.08 0.00 -2.04 0.00 0.00 64.05 62.10 3g3a n THR 31 Cb 0.32 -1.69 -0.09 0.00 -1.82 0.00 0.00 70.33 67.05 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 3.58 1.40 -4.62 -2.82 6.02 -0.58 -2.80 117.38 117.56 3g3a n GLN 32 Ca 0.16 0.03 -0.30 0.00 -0.01 0.00 0.00 57.00 56.89 3g3a n GLN 32 Cb 0.31 -1.32 -0.17 0.00 1.02 0.00 0.00 30.24 30.08 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 -2.31 1.71 -0.23 5.09 1.01 -1.13 0.16 120.40 124.70 3g3a s VAL 33 Ca -0.12 -0.78 0.00 0.00 0.00 0.00 0.00 61.98 61.08 3g3a s VAL 33 Cb 0.04 -1.53 0.06 0.00 0.00 0.00 0.00 36.38 34.95 3g3a s VAL 33 CO 0.46 0.48 -0.03 -0.22 0.00 0.00 0.00 175.10 175.79 3g3a s LEU 34 N 0.84 2.32 -0.25 3.92 2.96 -0.85 -1.19 118.68 126.43 3g3a s LEU 34 Ca -0.09 -1.12 -0.18 0.00 -0.22 0.00 0.00 54.13 52.53 3g3a s LEU 34 Cb -0.15 -1.07 -0.03 0.00 0.50 0.00 0.00 46.19 45.44 3g3a s LEU 34 CO -0.00 -0.25 0.50 -0.31 -1.32 0.00 0.00 176.35 174.97 3g3a s TYR 35 N 1.48 3.28 -0.05 5.38 2.02 -0.22 -2.50 117.35 126.75 3g3a s TYR 35 Ca -0.05 0.64 0.08 0.00 -0.37 0.00 0.00 57.07 57.37 3g3a s TYR 35 Cb -0.19 -2.70 0.12 0.00 -0.40 0.00 0.00 41.96 38.79 3g3a s TYR 35 CO -0.07 -0.24 1.01 1.28 -1.57 0.00 0.00 175.55 175.96 3g3a n LEU 36 N 5.38 1.12 -4.82 -1.29 4.77 -0.54 -0.23 117.00 121.40 3g3a n LEU 36 Ca -0.05 -1.83 -0.33 0.00 -0.03 0.00 0.00 56.01 53.78 3g3a n LEU 36 Cb 0.50 -0.17 -0.02 0.00 -2.33 0.00 0.00 43.42 41.40 3g3a n LEU 36 CO 0.40 0.43 0.70 -0.72 -1.33 0.00 0.00 177.39 176.88 3g3a s TYR 37 N -1.24 3.16 -1.09 -1.77 -0.85 -1.15 -4.24 117.35 110.17 3g3a s TYR 37 Ca 0.13 1.51 -0.01 0.00 -0.52 0.00 0.00 57.07 58.18 3g3a s TYR 37 Cb 0.11 -2.94 -0.01 0.00 0.38 0.00 0.00 41.96 39.51 3g3a s TYR 37 CO 0.01 -0.78 0.91 -3.47 -1.52 0.00 0.00 175.55 170.71 3g3a n ASP 38 N -1.64 -2.51 -0.50 -0.18 2.03 -1.07 -1.54 116.55 111.14 3g3a n ASP 38 Ca 0.08 -0.58 0.00 0.00 0.52 0.00 0.00 54.79 54.81 3g3a n ASP 38 Cb 0.53 -4.77 0.00 0.00 -0.72 0.00 0.00 41.12 36.16 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 -2.97 1.48 -2.22 1.67 5.03 -1.19 -3.07 115.26 113.98 3g3a n ASN 39 Ca -0.24 -0.29 -0.02 0.00 0.87 0.00 0.00 54.58 54.90 3g3a n ASN 39 Cb 0.65 0.00 0.05 0.00 -1.02 0.00 0.00 39.78 39.46 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 1.54 -1.71 3.52 6.02 0.74 -4.23 117.38 123.26 3g3a n GLN 40 Ca 0.00 -3.20 -0.42 0.00 -0.01 0.00 0.00 57.00 53.37 3g3a n GLN 40 Cb 0.00 -1.29 -0.03 0.00 1.02 0.00 0.00 30.24 29.94 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 -2.90 3.13 -0.34 5.09 1.01 -0.90 -4.49 121.20 121.80 3g3a s ILE 41 Ca 0.33 0.13 0.22 0.00 0.00 0.00 0.00 60.65 61.33 3g3a s ILE 41 Cb 0.35 -3.20 -0.20 0.00 0.01 0.00 0.00 42.46 39.43 3g3a s ILE 41 CO -0.06 -0.14 0.79 0.35 0.00 0.00 0.00 174.94 175.88 3g3a n THR 42 N 7.70 0.17 -3.77 2.92 -2.24 -1.26 -1.90 114.28 115.90 3g3a n THR 42 Ca 0.29 -0.38 -0.13 0.00 -2.27 0.00 0.00 64.05 61.56 3g3a n THR 42 Cb 0.47 0.09 -0.11 0.00 -2.10 0.00 0.00 70.33 68.69 3g3a n THR 42 CO 0.00 0.00 0.00 -0.75 -0.57 0.00 0.00 175.07 173.75 3g3a s LYS 43 N -3.34 0.40 -0.08 -0.78 2.20 -1.26 -2.95 119.74 113.93 3g3a s LYS 43 Ca -0.02 0.31 0.01 0.00 -0.36 0.00 0.00 55.97 55.91 3g3a s LYS 43 Cb 0.13 0.19 -0.03 0.00 -1.51 0.00 0.00 37.83 36.62 3g3a s LYS 43 CO 0.85 -0.06 -0.08 -0.51 -0.36 0.00 0.00 175.35 175.19 3g3a s LEU 44 N -0.10 3.08 0.24 5.43 1.43 -1.26 -4.85 118.68 122.65 3g3a s LEU 44 Ca -0.02 -0.08 -0.30 0.00 -1.03 0.00 0.00 54.13 52.70 3g3a s LEU 44 Cb -0.03 -1.67 -0.09 0.00 0.03 0.00 0.00 46.19 44.43 3g3a s LEU 44 CO 0.01 0.33 1.21 -1.61 0.23 0.00 0.00 176.35 176.53 3g3a s GLU 45 N -0.63 4.49 0.16 1.70 0.41 -1.26 -4.64 118.70 118.93 3g3a s GLU 45 Ca 0.09 1.96 -0.34 0.00 -0.41 0.00 0.00 54.97 56.27 3g3a s GLU 45 Cb -0.11 -3.18 -0.14 0.00 -1.78 0.00 0.00 34.13 28.91 3g3a s GLU 45 CO 0.02 -0.06 1.52 -2.30 -0.49 0.00 0.00 175.26 173.95 3g3a n PRO 46 N 1.84 2.00 -0.98 0.39 -0.02 -1.26 -1.93 135.00 135.04 3g3a n PRO 46 Ca 0.02 0.72 0.00 0.00 -2.02 0.00 0.00 63.50 62.22 3g3a n PRO 46 Cb 0.44 -2.45 0.00 0.00 -0.02 0.00 0.00 33.50 31.46 3g3a n PRO 46 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3g3a n GLY 47 N 3.09 0.66 0.38 -1.23 0.00 -1.26 -4.94 105.19 101.89 3g3a n GLY 47 Ca 0.16 0.00 0.15 0.00 0.00 0.00 0.00 46.02 46.33 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 0.76 -0.01 1.61 3.04 -1.72 -2.41 116.25 117.51 3g3a h VAL 48 Ca 0.00 -0.20 0.00 0.00 -1.01 0.00 0.00 66.70 65.49 3g3a h VAL 48 Cb 0.05 0.12 0.00 0.00 -2.01 0.00 0.00 31.29 29.45 3g3a h VAL 48 CO 0.00 0.11 -0.34 0.49 -1.01 0.00 0.00 177.57 176.82 3g3a n PHE 49 N -4.57 0.00 -0.13 3.17 3.72 -1.26 -4.56 117.46 113.83 3g3a n PHE 49 Ca 0.19 0.00 0.13 0.00 -0.05 0.00 0.00 57.45 57.72 3g3a n PHE 49 Cb 0.57 -0.04 0.49 0.00 -0.94 0.00 0.00 39.48 39.57 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 2.26 0.40 1.73 4.37 3.32 -1.68 -0.28 116.42 126.54 3g3a h ASP 50 Ca 0.00 0.02 0.00 0.00 0.02 0.00 0.00 57.03 57.07 3g3a h ASP 50 Cb 0.69 -0.07 0.00 0.00 0.22 0.00 0.00 39.33 40.17 3g3a h ASP 50 CO 0.00 0.23 0.00 0.08 -1.72 0.00 0.00 179.24 177.83 3g3a h ARG 51 N 0.44 0.00 -3.18 3.56 0.11 -1.80 -3.39 114.38 110.12 3g3a h ARG 51 Ca 0.33 0.00 -0.78 0.00 0.10 0.00 0.00 59.98 59.63 3g3a h ARG 51 Cb 0.69 0.00 -0.20 0.00 1.11 0.00 0.00 29.97 31.56 3g3a h ARG 51 CO -0.10 0.00 1.55 1.28 0.10 0.00 0.00 179.97 182.79 3g3a n LEU 52 N -3.04 6.69 0.05 0.08 4.77 -0.12 -4.77 117.00 120.66 3g3a n LEU 52 Ca 0.03 -4.91 0.13 0.00 -0.03 0.00 0.00 56.01 51.24 3g3a n LEU 52 Cb 0.47 -1.38 0.50 0.00 -2.33 0.00 0.00 43.42 40.68 3g3a n LEU 52 CO 0.32 1.57 0.91 0.35 -1.33 0.00 0.00 177.39 179.20 3g3a n THR 53 N 2.34 0.31 1.13 -5.08 -2.24 -1.26 -3.24 114.28 106.24 3g3a n THR 53 Ca 0.36 -0.15 0.12 0.00 -2.27 0.00 0.00 64.05 62.11 3g3a n THR 53 Cb 0.34 -0.53 0.36 0.00 -2.10 0.00 0.00 70.33 68.40 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 -1.90 1.90 -1.68 -0.78 1.13 -1.26 -4.48 117.38 110.32 3g3a n GLN 54 Ca 0.06 -1.34 -0.45 0.00 -1.94 0.00 0.00 57.00 53.33 3g3a n GLN 54 Cb 0.39 -1.44 -0.04 0.00 0.11 0.00 0.00 30.24 29.26 3g3a n GLN 54 CO 0.00 0.00 0.00 -0.11 -1.44 0.00 0.00 177.06 175.51 3g3a n LEU 55 N 0.58 3.20 -0.01 1.08 7.94 -1.12 -4.26 117.00 124.40 3g3a n LEU 55 Ca 0.17 1.09 -0.00 0.00 -1.11 0.00 0.00 56.01 56.17 3g3a n LEU 55 Cb 0.41 -1.44 -0.04 0.00 0.53 0.00 0.00 43.42 42.88 3g3a n LEU 55 CO 0.15 -0.28 -0.61 0.35 -1.11 0.00 0.00 177.39 175.89 3g3a n THR 56 N 3.15 0.17 -4.10 1.96 -2.24 0.42 -2.67 114.28 110.97 3g3a n THR 56 Ca 0.16 -0.16 -0.15 0.00 -2.27 0.00 0.00 64.05 61.63 3g3a n THR 56 Cb 0.30 -0.28 -0.14 0.00 -2.10 0.00 0.00 70.33 68.12 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 -2.23 0.40 -0.23 -0.78 3.52 -0.75 0.18 118.95 119.07 3g3a s ARG 57 Ca -0.02 -0.32 -0.04 0.00 -0.13 0.00 0.00 55.73 55.23 3g3a s ARG 57 Cb 0.02 -0.32 0.12 0.00 -1.56 0.00 0.00 34.95 33.21 3g3a s ARG 57 CO 0.20 0.08 0.38 -1.17 -0.81 0.00 0.00 175.30 173.98 3g3a s LEU 58 N -0.50 -0.62 -0.27 -0.88 2.96 -0.82 -2.01 118.68 116.54 3g3a s LEU 58 Ca -0.02 0.40 -0.11 0.00 -0.22 0.00 0.00 54.13 54.18 3g3a s LEU 58 Cb -0.04 1.14 -0.05 0.00 0.50 0.00 0.00 46.19 47.75 3g3a s LEU 58 CO -0.00 -0.28 0.20 -1.81 -1.32 0.00 0.00 176.35 173.13 3g3a s ASP 59 N 2.55 6.05 0.00 3.68 1.11 -1.04 -1.69 116.67 127.34 3g3a s ASP 59 Ca 0.09 0.03 0.00 0.00 0.18 0.00 0.00 52.55 52.85 3g3a s ASP 59 Cb -0.15 -2.12 0.00 0.00 1.07 0.00 0.00 42.92 41.72 3g3a s ASP 59 CO -0.15 -0.04 0.84 0.18 1.18 0.00 0.00 175.17 177.18 3g3a n LEU 60 N 4.95 1.60 -4.78 1.23 4.77 0.51 -1.47 117.00 123.80 3g3a n LEU 60 Ca -0.14 -1.60 -0.32 0.00 -0.03 0.00 0.00 56.01 53.93 3g3a n LEU 60 Cb 0.52 0.00 0.06 0.00 -2.33 0.00 0.00 43.42 41.67 3g3a n LEU 60 CO 0.34 0.40 0.72 1.51 -1.33 0.00 0.00 177.39 179.02 3g3a s ASP 61 N -0.70 5.03 -1.22 -1.43 -4.77 -0.87 -3.98 116.67 108.73 3g3a s ASP 61 Ca 0.00 1.83 -0.08 0.00 -3.30 0.00 0.00 52.55 51.00 3g3a s ASP 61 Cb 0.00 -2.53 0.01 0.00 -1.09 0.00 0.00 42.92 39.31 3g3a s ASP 61 CO 0.00 -1.68 1.07 0.59 0.70 0.00 0.00 175.17 175.85 3g3a n ASN 62 N -2.91 -5.95 0.00 2.11 4.13 -0.51 -2.58 115.26 109.55 3g3a n ASN 62 Ca 0.09 -0.49 0.00 0.00 1.68 0.00 0.00 54.58 55.87 3g3a n ASN 62 Cb 0.53 -4.58 0.00 0.00 -1.54 0.00 0.00 39.78 34.19 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 -2.56 0.00 -1.59 6.41 3.02 -1.17 -3.02 115.26 116.35 3g3a n ASN 63 Ca 0.01 0.00 0.03 0.00 -0.03 0.00 0.00 54.58 54.59 3g3a n ASN 63 Cb 0.55 0.00 0.02 0.00 -0.61 0.00 0.00 39.78 39.74 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 0.14 -1.79 3.52 6.02 -0.80 -4.39 117.38 120.09 3g3a n GLN 64 Ca 0.00 -2.07 -0.42 0.00 -0.01 0.00 0.00 57.00 54.50 3g3a n GLN 64 Cb 0.00 -0.10 -0.03 0.00 1.02 0.00 0.00 30.24 31.13 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 -0.32 4.39 -0.09 1.08 1.43 -0.87 -4.19 118.68 120.10 3g3a s LEU 65 Ca 0.32 2.69 0.15 0.00 -1.03 0.00 0.00 54.13 56.26 3g3a s LEU 65 Cb 0.37 -3.57 -0.22 0.00 0.03 0.00 0.00 46.19 42.79 3g3a s LEU 65 CO -0.15 -0.96 0.20 0.35 0.23 0.00 0.00 176.35 176.02 3g3a n THR 66 N 4.59 0.56 -3.60 5.49 -2.24 -1.15 -1.34 114.28 116.59 3g3a n THR 66 Ca 0.17 -0.53 -0.12 0.00 -2.27 0.00 0.00 64.05 61.30 3g3a n THR 66 Cb 0.38 -0.25 -0.05 0.00 -2.10 0.00 0.00 70.33 68.31 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 -2.75 0.04 0.01 2.28 0.11 -1.26 -3.98 120.40 114.84 3g3a s VAL 67 Ca -0.07 -0.36 0.08 0.00 -2.93 0.00 0.00 61.98 58.70 3g3a s VAL 67 Cb 0.08 -1.03 -0.02 0.00 -1.53 0.00 0.00 36.38 33.87 3g3a s VAL 67 CO 0.67 -0.20 -0.26 -0.76 -3.33 0.00 0.00 175.10 171.22 3g3a s LEU 68 N -2.31 2.10 0.30 2.54 1.43 -1.26 -4.58 118.68 116.90 3g3a s LEU 68 Ca -0.02 -0.51 -0.29 0.00 -1.03 0.00 0.00 54.13 52.28 3g3a s LEU 68 Cb 0.00 -1.29 -0.10 0.00 0.03 0.00 0.00 46.19 44.83 3g3a s LEU 68 CO -0.06 0.29 1.28 -2.84 0.23 0.00 0.00 176.35 175.25 3g3a s PRO 69 N -0.85 4.40 0.16 1.29 0.02 -1.26 -4.73 135.00 134.02 3g3a s PRO 69 Ca 0.10 2.14 -0.34 0.00 0.02 0.00 0.00 61.00 62.92 3g3a s PRO 69 Cb -0.10 -3.11 -0.14 0.00 0.02 0.00 0.00 34.50 31.17 3g3a s PRO 69 CO 0.00 -0.15 1.49 0.00 -0.33 0.00 0.00 177.00 178.01 3g3a n ALA 70 N 1.19 0.85 -0.98 -1.55 0.00 -1.26 -2.44 120.51 116.32 3g3a n ALA 70 Ca 0.01 0.45 0.00 0.00 0.00 0.00 0.00 53.44 53.90 3g3a n ALA 70 Cb 0.42 -2.28 0.00 0.00 0.00 0.00 0.00 19.45 17.59 3g3a n ALA 70 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3g3a n GLY 71 N 2.99 0.60 0.36 0.00 0.00 -1.26 -4.89 105.19 103.00 3g3a n GLY 71 Ca 0.16 0.00 0.22 0.00 0.00 0.00 0.00 46.02 46.40 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 0.42 -0.70 1.61 -1.51 -1.82 -2.78 116.25 111.48 3g3a h VAL 72 Ca 0.00 -0.15 0.00 0.00 -1.23 0.00 0.00 66.70 65.32 3g3a h VAL 72 Cb 0.08 -0.04 0.00 0.00 -2.13 0.00 0.00 31.29 29.19 3g3a h VAL 72 CO 0.00 0.08 0.00 0.49 -1.23 0.00 0.00 177.57 176.91 3g3a n PHE 73 N -4.89 1.06 0.18 5.19 3.72 -1.26 -4.49 117.46 116.97 3g3a n PHE 73 Ca 0.29 -0.52 0.02 0.00 -0.05 0.00 0.00 57.45 57.19 3g3a n PHE 73 Cb 0.90 -0.05 0.34 0.00 -0.94 0.00 0.00 39.48 39.73 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 4.13 0.00 -0.07 4.37 3.32 -1.73 -2.44 116.42 123.99 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 1.08 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.63 3g3a h ASP 74 CO 0.05 0.39 0.00 0.29 -1.72 0.00 0.00 179.24 178.25 3g3a n LYS 75 N -4.05 1.64 -2.45 3.56 4.76 -1.26 -4.62 118.16 115.73 3g3a n LYS 75 Ca -0.02 -0.94 -0.41 0.00 -2.87 0.00 0.00 58.31 54.07 3g3a n LYS 75 Cb 0.43 -1.44 0.01 0.00 -1.84 0.00 0.00 35.03 32.18 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 0.15 7.32 0.00 -0.35 4.77 -0.92 -4.63 117.00 123.34 3g3a n LEU 76 Ca 0.18 -5.09 0.10 0.00 -0.03 0.00 0.00 56.01 51.17 3g3a n LEU 76 Cb 0.32 -1.29 0.45 0.00 -2.33 0.00 0.00 43.42 40.57 3g3a n LEU 76 CO 0.15 1.89 0.82 0.35 -1.33 0.00 0.00 177.39 179.28 3g3a n THR 77 N 1.25 0.57 0.05 -5.08 -2.24 -1.26 -2.55 114.28 105.03 3g3a n THR 77 Ca 0.47 0.14 0.06 0.00 -2.27 0.00 0.00 64.05 62.45 3g3a n THR 77 Cb 0.28 -0.79 0.13 0.00 -2.10 0.00 0.00 70.33 67.85 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 -1.48 2.10 -2.11 -0.78 6.02 -1.26 -3.76 117.38 116.12 3g3a n GLN 78 Ca 0.05 -1.79 -0.42 0.00 -0.01 0.00 0.00 57.00 54.83 3g3a n GLN 78 Cb 0.23 -1.27 -0.03 0.00 1.02 0.00 0.00 30.24 30.20 3g3a n GLN 78 CO 0.00 0.00 0.00 -1.17 -1.01 0.00 0.00 177.06 174.88 3g3a s LEU 79 N -1.00 4.29 -0.23 1.08 0.20 -1.06 -4.26 118.68 117.71 3g3a s LEU 79 Ca 0.21 2.11 0.07 0.00 0.69 0.00 0.00 54.13 57.22 3g3a s LEU 79 Cb 0.12 -3.54 -0.20 0.00 -0.43 0.00 0.00 46.19 42.14 3g3a s LEU 79 CO 0.16 -0.88 -0.08 0.35 -0.29 0.00 0.00 176.35 175.62 3g3a n THR 80 N 5.42 1.47 -4.59 3.68 -2.24 0.13 -1.45 114.28 116.69 3g3a n THR 80 Ca 0.16 -0.68 -0.23 0.00 -2.27 0.00 0.00 64.05 61.03 3g3a n THR 80 Cb 0.43 -1.09 -0.16 0.00 -2.10 0.00 0.00 70.33 67.41 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 -2.51 1.39 -0.04 -0.78 -0.21 -0.81 0.04 119.66 116.73 3g3a s GLN 81 Ca -0.25 -0.44 -0.01 0.00 0.02 0.00 0.00 55.36 54.68 3g3a s GLN 81 Cb 0.08 -1.23 0.03 0.00 1.00 0.00 0.00 33.01 32.89 3g3a s GLN 81 CO 0.69 0.15 0.03 -1.17 -2.12 0.00 0.00 175.29 172.88 3g3a s LEU 82 N 0.21 0.54 -0.16 2.90 2.96 -0.62 -1.95 118.68 122.56 3g3a s LEU 82 Ca -0.05 0.02 -0.03 0.00 -0.22 0.00 0.00 54.13 53.85 3g3a s LEU 82 Cb -0.11 -0.21 -0.02 0.00 0.50 0.00 0.00 46.19 46.35 3g3a s LEU 82 CO 0.02 -0.20 -0.05 -0.94 -1.32 0.00 0.00 176.35 173.86 3g3a s SER 83 N 1.78 4.62 0.00 3.68 1.04 -0.68 -1.88 113.70 122.26 3g3a s SER 83 Ca 0.01 -0.19 0.00 0.00 0.48 0.00 0.00 55.95 56.25 3g3a s SER 83 Cb -0.12 -1.75 0.00 0.00 0.10 0.00 0.00 66.02 64.24 3g3a s SER 83 CO -0.03 0.15 0.31 0.18 0.98 0.00 0.00 173.24 174.82 3g3a n LEU 84 N 3.67 0.46 -4.69 2.42 4.77 0.11 -0.36 117.00 123.39 3g3a n LEU 84 Ca -0.18 -0.46 -0.31 0.00 -0.03 0.00 0.00 56.01 55.03 3g3a n LEU 84 Cb 0.52 0.00 0.15 0.00 -2.33 0.00 0.00 43.42 41.77 3g3a n LEU 84 CO 0.32 0.11 0.69 0.54 -1.33 0.00 0.00 177.39 177.73 3g3a s ASN 85 N -0.09 3.18 -0.99 -1.43 4.22 -0.92 -4.13 114.94 114.77 3g3a s ASN 85 Ca 0.00 2.17 -0.02 0.00 -2.14 0.00 0.00 52.86 52.87 3g3a s ASN 85 Cb 0.00 -2.57 0.00 0.00 1.28 0.00 0.00 41.25 39.97 3g3a s ASN 85 CO 0.00 -2.93 0.84 0.47 -2.04 0.00 0.00 177.10 173.44 3g3a n ASP 86 N -4.04 -3.12 -0.90 3.54 8.00 -0.73 -1.42 116.55 117.88 3g3a n ASP 86 Ca 0.12 -0.47 0.00 0.00 0.71 0.00 0.00 54.79 55.15 3g3a n ASP 86 Cb 0.52 -4.15 0.00 0.00 -0.02 0.00 0.00 41.12 37.47 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 -2.50 1.99 -1.63 -2.24 4.13 -1.19 -2.61 115.26 111.20 3g3a n ASN 87 Ca -0.15 -0.45 -0.16 0.00 1.68 0.00 0.00 54.58 55.50 3g3a n ASN 87 Cb 0.61 0.00 0.12 0.00 -1.54 0.00 0.00 39.78 38.97 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 2.52 -2.88 3.52 1.13 -0.45 -4.40 117.38 116.83 3g3a n GLN 88 Ca 0.00 -3.52 -0.36 0.00 -1.94 0.00 0.00 57.00 51.18 3g3a n GLN 88 Cb 0.00 -2.04 -0.06 0.00 0.11 0.00 0.00 30.24 28.25 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 -3.46 4.27 -0.08 1.08 1.43 -0.96 -4.37 118.68 116.59 3g3a s LEU 89 Ca 0.50 1.69 0.05 0.00 -1.03 0.00 0.00 54.13 55.34 3g3a s LEU 89 Cb 0.43 -3.99 -0.09 0.00 0.03 0.00 0.00 46.19 42.57 3g3a s LEU 89 CO 0.01 -0.09 -0.01 0.29 0.23 0.00 0.00 176.35 176.78 3g3a n LYS 90 N 0.40 2.00 -4.00 1.70 4.76 -1.26 -3.09 118.16 118.68 3g3a n LYS 90 Ca 0.02 0.01 -0.10 0.00 -2.87 0.00 0.00 58.31 55.37 3g3a n LYS 90 Cb 0.51 -1.20 -0.04 0.00 -1.84 0.00 0.00 35.03 32.46 3g3a n LYS 90 CO 0.00 0.00 0.00 -1.54 -1.37 0.00 0.00 177.40 174.49 3g3a s SER 91 N -4.24 0.06 -0.10 4.39 1.04 -1.26 -1.83 113.70 111.76 3g3a s SER 91 Ca -0.07 -1.02 -0.00 0.00 0.48 0.00 0.00 55.95 55.34 3g3a s SER 91 Cb 0.03 0.62 -0.03 0.00 0.10 0.00 0.00 66.02 66.74 3g3a s SER 91 CO 0.29 -1.21 -0.08 -0.63 0.98 0.00 0.00 173.24 172.59 3g3a s ILE 92 N -3.75 3.54 0.37 -1.02 -1.09 -1.26 -4.78 121.20 113.21 3g3a s ILE 92 Ca 0.23 -0.52 -0.28 0.00 -2.23 0.00 0.00 60.65 57.85 3g3a s ILE 92 Cb -0.01 -2.47 -0.11 0.00 -1.58 0.00 0.00 42.46 38.28 3g3a s ILE 92 CO 0.11 0.56 1.46 -2.65 -1.23 0.00 0.00 174.94 173.19 3g3a n PRO 93 N 2.80 2.59 -1.66 2.79 -0.02 -1.26 -4.56 135.00 135.68 3g3a n PRO 93 Ca -0.18 0.91 -0.45 0.00 -2.02 0.00 0.00 63.50 61.76 3g3a n PRO 93 Cb 0.53 -2.62 -0.03 0.00 -0.02 0.00 0.00 33.50 31.36 3g3a n PRO 93 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 3g3a n ARG 94 N 0.55 1.95 -0.24 -0.52 1.74 -1.26 -1.79 116.66 117.10 3g3a n ARG 94 Ca 0.02 0.69 0.00 0.00 -0.77 0.00 0.00 57.85 57.80 3g3a n ARG 94 Cb 0.38 -2.33 0.00 0.00 -1.02 0.00 0.00 32.46 29.49 3g3a n ARG 94 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3g3a n GLY 95 N 2.04 2.29 0.36 -0.13 0.00 -1.26 -4.84 105.19 103.66 3g3a n GLY 95 Ca 0.11 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.24 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 1.91 -0.00 4.61 0.00 -1.73 -1.44 119.26 122.62 3g3a h ALA 96 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 3g3a h ALA 96 Cb 0.00 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 17.67 3g3a h ALA 96 CO 0.00 -0.07 -0.67 1.19 0.00 0.00 0.00 179.25 179.70 3g3a n PHE 97 N -4.49 0.00 0.23 0.00 3.72 -1.26 -4.45 117.46 111.21 3g3a n PHE 97 Ca 0.12 0.00 0.13 0.00 -0.05 0.00 0.00 57.45 57.65 3g3a n PHE 97 Cb 0.37 -0.13 0.75 0.00 -0.94 0.00 0.00 39.48 39.53 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 0.24 0.00 -0.13 4.37 5.19 -1.66 -0.91 116.42 123.52 3g3a h ASP 98 Ca 0.00 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.41 3g3a h ASP 98 Cb 0.52 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.03 3g3a h ASP 98 CO 0.00 0.00 0.00 0.59 -3.12 0.00 0.00 179.24 176.71 3g3a n ASN 99 N -4.21 2.23 -3.87 6.45 5.03 -1.26 -4.68 115.26 114.95 3g3a n ASN 99 Ca -0.00 -1.76 -0.42 0.00 0.87 0.00 0.00 54.58 53.26 3g3a n ASN 99 Cb 0.20 -0.07 0.00 0.00 -1.02 0.00 0.00 39.78 38.89 3g3a n ASN 99 CO 0.00 0.00 0.00 0.18 -1.83 0.00 0.00 177.26 175.61 3g3a n LEU 100 N 0.72 6.57 -0.34 3.41 4.77 -0.35 -4.42 117.00 127.36 3g3a n LEU 100 Ca 0.17 -4.28 0.12 0.00 -0.03 0.00 0.00 56.01 52.00 3g3a n LEU 100 Cb 0.45 -1.61 0.56 0.00 -2.33 0.00 0.00 43.42 40.48 3g3a n LEU 100 CO 0.15 1.09 0.88 0.29 -1.33 0.00 0.00 177.39 178.47 3g3a n LYS 101 N 5.64 1.46 -0.02 3.23 4.76 -1.26 -3.00 118.16 128.96 3g3a n LYS 101 Ca 0.48 -0.67 0.03 0.00 -2.87 0.00 0.00 58.31 55.28 3g3a n LYS 101 Cb 0.39 -1.42 0.04 0.00 -1.84 0.00 0.00 35.03 32.20 3g3a n LYS 101 CO 0.00 0.00 0.00 0.43 -1.37 0.00 0.00 177.40 176.46 3g3a n SER 102 N -0.15 1.77 -4.65 4.39 7.64 -1.25 -5.04 113.62 116.33 3g3a n SER 102 Ca 0.18 -1.43 -0.48 0.00 1.01 0.00 0.00 58.87 58.15 3g3a n SER 102 Cb 0.25 -0.03 -0.05 0.00 -1.01 0.00 0.00 64.21 63.38 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 0.32 2.75 0.00 -3.43 7.94 -0.53 -4.05 117.00 120.00 3g3a n LEU 103 Ca 0.05 1.08 0.00 0.00 -1.11 0.00 0.00 56.01 56.03 3g3a n LEU 103 Cb 0.21 -1.36 0.00 0.00 0.53 0.00 0.00 43.42 42.80 3g3a n LEU 103 CO 0.04 -0.46 -0.45 0.35 -1.11 0.00 0.00 177.39 175.76 3g3a n THR 104 N 3.33 0.00 -3.84 1.96 -2.24 0.11 -4.99 114.28 108.60 3g3a n THR 104 Ca 0.18 0.00 -0.12 0.00 -2.27 0.00 0.00 64.05 61.84 3g3a n THR 104 Cb 0.26 -0.52 -0.13 0.00 -2.10 0.00 0.00 70.33 67.84 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 -1.88 -0.07 -0.02 4.78 3.76 -0.26 -4.62 115.29 116.99 3g3a s HIS 105 Ca 0.00 0.18 -0.04 0.00 -0.15 0.00 0.00 55.06 55.05 3g3a s HIS 105 Cb 0.00 0.02 0.00 0.00 1.11 0.00 0.00 32.58 33.71 3g3a s HIS 105 CO 0.00 -0.04 0.10 -1.50 -0.85 0.00 0.00 174.74 172.45 3g3a s ILE 106 N 0.08 0.03 -0.10 0.60 2.07 -0.28 -1.59 121.20 122.01 3g3a s ILE 106 Ca -0.00 -0.27 0.03 0.00 -1.41 0.00 0.00 60.65 59.00 3g3a s ILE 106 Cb -0.01 -0.24 -0.01 0.00 0.13 0.00 0.00 42.46 42.34 3g3a s ILE 106 CO -0.00 -0.15 -0.20 0.26 -1.91 0.00 0.00 174.94 172.94 3g3a s TRP 107 N -0.46 2.62 0.00 3.50 0.51 -0.79 -1.20 118.94 123.13 3g3a s TRP 107 Ca -0.05 -0.79 0.00 0.00 -2.12 0.00 0.00 56.10 53.14 3g3a s TRP 107 Cb -0.03 -1.72 0.00 0.00 -0.81 0.00 0.00 33.47 30.90 3g3a s TRP 107 CO 0.00 -0.27 0.00 1.28 -0.51 0.00 0.00 176.95 177.45 3g3a n LEU 108 N 3.31 0.00 -4.31 2.99 4.77 -1.26 -0.71 117.00 121.80 3g3a n LEU 108 Ca -0.18 -0.00 -0.30 0.00 -0.03 0.00 0.00 56.01 55.50 3g3a n LEU 108 Cb 0.53 0.00 0.29 0.00 -2.33 0.00 0.00 43.42 41.90 3g3a n LEU 108 CO 0.28 0.00 0.40 0.00 -1.33 0.00 0.00 177.39 176.74 3g3a n LEU 109 N -0.93 -0.90 -4.13 2.23 -0.00 -1.26 -4.02 117.00 107.99 3g3a n LEU 109 Ca 0.00 -0.64 -0.33 0.00 -0.00 0.00 0.00 56.01 55.04 3g3a n LEU 109 Cb 0.00 -1.10 -0.02 0.00 -0.00 0.00 0.00 43.42 42.30 3g3a n LEU 109 CO 0.00 -4.20 -0.06 0.59 -0.00 0.00 0.00 177.39 173.72 3g3a n ASN 110 N -5.58 -2.77 -4.41 1.45 5.03 -1.26 -1.77 115.26 105.94 3g3a n ASN 110 Ca 0.09 -0.99 -0.30 0.00 0.87 0.00 0.00 54.58 54.26 3g3a n ASN 110 Cb 0.58 -2.95 -0.13 0.00 -1.02 0.00 0.00 39.78 36.26 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 -3.55 3.50 -1.47 6.41 0.01 -1.26 -2.76 114.94 115.82 3g3a s ASN 111 Ca 0.56 -0.62 -0.12 0.00 -0.71 0.00 0.00 52.86 51.97 3g3a s ASN 111 Cb -0.30 -0.37 -0.04 0.00 0.41 0.00 0.00 41.25 40.95 3g3a s ASN 111 CO 0.91 0.21 2.55 -0.81 -1.51 0.00 0.00 177.10 178.45 3g3a n PRO 112 N 1.16 3.14 -1.74 -0.60 -0.04 -1.18 -4.66 135.00 131.08 3g3a n PRO 112 Ca -0.17 -2.30 -0.42 0.00 -0.04 0.00 0.00 63.50 60.57 3g3a n PRO 112 Cb 0.53 -2.99 -0.01 0.00 -0.04 0.00 0.00 33.50 30.99 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 4.87 2.76 -3.59 0.54 5.03 -1.21 -4.33 117.44 121.51 3g3a n TRP 113 Ca 0.64 0.40 -0.40 0.00 3.03 0.00 0.00 57.50 61.17 3g3a n TRP 113 Cb 0.30 -2.53 -0.07 0.00 -1.03 0.00 0.00 31.31 27.98 3g3a n TRP 113 CO 0.00 0.00 0.00 0.34 -0.03 0.00 0.00 177.69 178.00 3g3a s ASP 114 N 0.09 5.78 0.11 -0.99 -1.08 -0.76 -0.47 116.67 119.34 3g3a s ASP 114 Ca 0.59 -2.90 0.26 0.00 -0.52 0.00 0.00 52.55 49.98 3g3a s ASP 114 Cb -0.51 -1.97 0.76 0.00 -1.46 0.00 0.00 42.92 39.74 3g3a s ASP 114 CO 0.57 -0.41 1.66 0.00 0.52 0.00 0.00 175.17 177.51 3g3a h ALA 116 N 2.70 0.63 -2.59 0.00 0.00 -1.91 -3.42 119.26 114.68 3g3a h ALA 116 Ca 0.00 -0.35 -0.49 0.00 0.00 0.00 0.00 54.91 54.07 3g3a h ALA 116 Cb 0.65 -0.16 0.04 0.00 0.00 0.00 0.00 17.79 18.32 3g3a h ALA 116 CO 0.00 0.55 0.44 0.00 0.00 0.00 0.00 179.25 180.24 3g3a n SER 118 N -0.21 0.53 0.00 0.00 3.41 -1.08 -3.44 113.62 112.84 3g3a n SER 118 Ca 0.06 0.54 0.03 0.00 -0.26 0.00 0.00 58.87 59.24 3g3a n SER 118 Cb 0.49 -0.68 0.13 0.00 -0.26 0.00 0.00 64.21 63.89 3g3a n SER 118 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 3g3a n ASP 119 N -2.00 0.00 0.12 4.04 8.00 -1.26 -2.77 116.55 122.69 3g3a n ASP 119 Ca 0.06 0.27 0.13 0.00 0.71 0.00 0.00 54.79 55.95 3g3a n ASP 119 Cb 0.40 -0.33 0.45 0.00 -0.02 0.00 0.00 41.12 41.61 3g3a n ASP 119 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3g3a n ILE 120 N -1.33 0.70 -0.02 0.53 0.13 -1.22 -4.13 119.36 114.03 3g3a n ILE 120 Ca 0.02 -0.06 -0.09 0.00 -1.10 0.00 0.00 62.75 61.53 3g3a n ILE 120 Cb 0.05 -0.85 0.07 0.00 -0.84 0.00 0.00 39.64 38.07 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 0.66 0.33 9.51 3.38 -1.81 -0.85 115.31 126.53 3g3a h LEU 121 Ca 0.00 -0.31 -0.01 0.00 0.09 0.00 0.00 57.88 57.65 3g3a h LEU 121 Cb 0.58 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 41.13 3g3a h LEU 121 CO 0.00 1.01 -0.23 0.22 0.09 0.00 0.00 178.44 179.53 3g3a h TYR 122 N 0.50 -0.61 -0.57 1.13 3.20 -1.84 0.20 116.97 118.96 3g3a h TYR 122 Ca 0.03 -0.00 0.09 0.00 3.14 0.00 0.00 58.73 61.99 3g3a h TYR 122 Cb 0.97 0.22 -0.07 0.00 1.54 0.00 0.00 36.73 39.39 3g3a h TYR 122 CO 0.04 -0.35 0.18 1.25 -1.64 0.00 0.00 178.16 177.64 3g3a h LEU 123 N -0.56 0.15 -1.04 2.82 5.85 -1.76 0.32 115.31 121.11 3g3a h LEU 123 Ca -0.03 0.08 -0.03 0.00 0.84 0.00 0.00 57.88 58.74 3g3a h LEU 123 Cb 0.48 0.08 -0.03 0.00 0.37 0.00 0.00 40.66 41.56 3g3a h LEU 123 CO 0.01 0.10 0.27 -1.28 -0.34 0.00 0.00 178.44 177.19 3g3a h SER 124 N 0.35 0.87 -0.29 1.25 0.87 -0.88 -1.20 113.55 114.52 3g3a h SER 124 Ca 0.29 -0.12 -0.14 0.00 -1.23 0.00 0.00 61.79 60.59 3g3a h SER 124 Cb 0.37 -0.23 -0.00 0.00 -0.44 0.00 0.00 62.40 62.10 3g3a h SER 124 CO -0.32 0.78 -0.38 -0.09 -0.53 0.00 0.00 176.83 176.29 3g3a h ARG 125 N 0.94 0.78 -0.19 2.24 2.43 0.07 -3.06 114.38 117.59 3g3a h ARG 125 Ca 0.22 -0.44 -0.03 0.00 -0.81 0.00 0.00 59.98 58.92 3g3a h ARG 125 Cb 0.17 0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 29.75 3g3a h ARG 125 CO -0.02 1.07 -0.01 2.35 -1.51 0.00 0.00 179.97 181.86 3g3a h TRP 126 N 0.53 0.37 0.98 2.20 7.01 0.44 -1.79 115.95 125.69 3g3a h TRP 126 Ca 0.04 -0.07 -0.05 0.00 2.11 0.00 0.00 58.89 60.92 3g3a h TRP 126 Cb 0.97 -0.10 0.01 0.00 -2.10 0.00 0.00 29.16 27.95 3g3a h TRP 126 CO 0.07 0.55 -0.47 0.82 -2.79 0.00 0.00 178.44 176.62 3g3a h ILE 127 N 0.09 0.04 -0.99 2.65 2.04 -1.35 -1.05 117.51 118.95 3g3a h ILE 127 Ca 0.05 0.00 0.32 0.00 1.00 0.00 0.00 64.86 66.23 3g3a h ILE 127 Cb 0.40 0.04 -0.18 0.00 -0.74 0.00 0.00 36.82 36.34 3g3a h ILE 127 CO 0.01 0.00 0.19 0.28 0.00 0.00 0.00 178.15 178.63 3g3a h SER 128 N -1.31 -0.23 0.50 1.72 0.02 -1.53 0.24 113.55 112.96 3g3a h SER 128 Ca -0.13 0.27 0.00 0.00 -0.84 0.00 0.00 61.79 61.09 3g3a h SER 128 Cb 1.01 0.42 0.00 0.00 0.14 0.00 0.00 62.40 63.96 3g3a h SER 128 CO 0.22 -0.38 -0.07 0.00 -1.14 0.00 0.00 176.83 175.46 3g3a n GLN 129 N -5.42 0.49 -3.14 3.45 6.02 -0.68 -4.13 117.38 113.98 3g3a n GLN 129 Ca 0.28 -0.10 -0.22 0.00 -0.01 0.00 0.00 57.00 56.94 3g3a n GLN 129 Cb 0.92 -1.50 -0.04 0.00 1.02 0.00 0.00 30.24 30.64 3g3a n GLN 129 CO 0.00 0.00 0.00 0.72 -1.01 0.00 0.00 177.06 176.77 3g3a n HIS 130 N -1.17 1.57 0.25 1.08 8.25 0.84 -5.00 115.22 121.04 3g3a n HIS 130 Ca 0.13 -3.87 0.09 0.00 -0.26 0.00 0.00 57.72 53.82 3g3a n HIS 130 Cb 0.27 -0.44 0.63 0.00 1.12 0.00 0.00 29.99 31.57 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 3.26 0.00 -0.52 -0.41 0.13 -1.69 -3.08 132.00 129.68 3g3a h PRO 131 Ca 0.11 0.00 -0.30 0.00 -0.87 0.00 0.00 66.00 64.95 3g3a h PRO 131 Cb 0.79 0.00 -0.18 0.00 0.13 0.00 0.00 31.00 31.74 3g3a h PRO 131 CO 0.62 0.11 0.02 0.41 -0.23 0.00 0.00 178.00 178.93 3g3a n GLY 132 N -1.09 5.06 0.00 1.56 0.00 -1.26 -4.58 105.19 104.89 3g3a n GLY 132 Ca -0.03 -1.42 0.04 0.00 0.00 0.00 0.00 46.02 44.61 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 -1.08 0.06 -4.75 0.99 4.77 -1.16 -4.93 117.00 110.90 3g3a n LEU 133 Ca 0.40 -0.09 -0.35 0.00 -0.03 0.00 0.00 56.01 55.94 3g3a n LEU 133 Cb 1.09 0.00 -0.08 0.00 -2.33 0.00 0.00 43.42 42.10 3g3a n LEU 133 CO 0.31 0.02 -0.19 -0.69 -1.33 0.00 0.00 177.39 175.51 3g3a s VAL 134 N -2.38 5.34 -0.03 4.08 1.01 -1.26 -1.13 120.40 126.03 3g3a s VAL 134 Ca -0.02 0.16 0.04 0.00 0.00 0.00 0.00 61.98 62.16 3g3a s VAL 134 Cb 0.05 -3.40 -0.01 0.00 0.00 0.00 0.00 36.38 33.02 3g3a s VAL 134 CO 0.31 0.48 -0.16 -0.36 0.00 0.00 0.00 175.10 175.38 3g3a s PHE 135 N 0.03 1.56 0.00 5.22 0.08 -0.34 -1.07 117.98 123.46 3g3a s PHE 135 Ca 0.09 -0.39 0.00 0.00 0.12 0.00 0.00 56.93 56.75 3g3a s PHE 135 Cb -0.11 -1.04 0.00 0.00 -0.57 0.00 0.00 43.02 41.30 3g3a s PHE 135 CO -0.00 -0.11 0.00 0.41 -0.10 0.00 0.00 175.22 175.41 3g3a n GLY 136 N 3.01 1.59 0.00 4.36 0.00 -0.71 -4.22 105.19 109.22 3g3a n GLY 136 Ca -0.17 -1.94 0.10 0.00 0.00 0.00 0.00 46.02 44.01 3g3a n GLY 136 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 3g3a n TYR 137 N 0.00 0.00 0.05 1.61 4.01 -1.26 -4.38 117.16 117.19 3g3a n TYR 137 Ca 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.74 3g3a n TYR 137 Cb 0.00 -0.34 0.00 0.00 -0.31 0.00 0.00 39.34 38.69 3g3a n TYR 137 CO 0.00 0.00 0.00 1.28 -0.46 0.00 0.00 176.86 177.68 3g3a n LEU 138 N -1.34 0.23 0.00 7.72 4.77 -1.26 -5.17 117.00 121.96 3g3a n LEU 138 Ca 0.09 0.15 0.00 0.00 -0.03 0.00 0.00 56.01 56.22 3g3a n LEU 138 Cb 0.18 0.01 0.00 0.00 -2.33 0.00 0.00 43.42 41.28 3g3a n LEU 138 CO 0.16 -0.63 0.00 -0.46 -1.33 0.00 0.00 177.39 175.13 3g3a n ASN 139 N -2.98 0.30 -4.65 -1.43 6.94 -1.26 -5.13 115.26 107.04 3g3a n ASN 139 Ca 0.00 -0.60 -0.47 0.00 -0.02 0.00 0.00 54.58 53.49 3g3a n ASN 139 Cb 0.00 0.00 -0.04 0.00 -2.36 0.00 0.00 39.78 37.38 3g3a n ASN 139 CO 0.00 0.00 0.00 -0.11 -1.03 0.00 0.00 177.26 176.12 3g3a n LEU 140 N 0.00 2.83 -3.01 -4.53 0.00 -1.26 -1.74 117.00 109.29 3g3a n LEU 140 Ca 0.00 1.10 0.02 0.00 0.00 0.00 0.00 56.01 57.14 3g3a n LEU 140 Cb 0.00 -1.39 -0.00 0.00 0.00 0.00 0.00 43.42 42.03 3g3a n LEU 140 CO 0.00 -0.48 0.32 -0.62 0.00 0.00 0.00 177.39 176.61 3g3a s ASP 141 N 0.68 -0.86 0.63 1.96 2.15 -0.23 -4.81 116.67 116.19 3g3a s ASP 141 Ca 0.77 -0.27 0.41 0.00 0.43 0.00 0.00 52.55 53.89 3g3a s ASP 141 Cb -0.72 1.23 2.08 0.00 -0.30 0.00 0.00 42.92 45.21 3g3a s ASP 141 CO 0.42 -0.11 2.25 1.55 -0.17 0.00 0.00 175.17 179.10 3g3a h PRO 142 N 6.53 0.00 -0.07 4.34 0.13 -1.82 -1.91 132.00 139.20 3g3a h PRO 142 Ca -0.02 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.11 3g3a h PRO 142 Cb 1.20 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.33 3g3a h PRO 142 CO 0.00 0.00 0.00 -0.25 -0.23 0.00 0.00 178.00 177.52 3g3a n ASP 143 N -3.10 0.73 0.18 1.44 8.00 -1.26 -4.15 116.55 118.39 3g3a n ASP 143 Ca -0.02 -1.53 0.09 0.00 0.71 0.00 0.00 54.79 54.05 3g3a n ASP 143 Cb 0.15 -0.04 0.10 0.00 -0.02 0.00 0.00 41.12 41.31 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 0.99 0.00 -3.10 -2.24 4.64 -1.73 -3.39 113.55 108.71 3g3a h SER 144 Ca 0.00 0.00 -0.57 0.00 -0.47 0.00 0.00 61.79 60.75 3g3a h SER 144 Cb 0.22 0.00 -0.05 0.00 -0.31 0.00 0.00 62.40 62.26 3g3a h SER 144 CO 0.00 0.14 1.12 0.00 -0.87 0.00 0.00 176.83 177.22 3g3a s ALA 145 N -3.16 2.98 0.00 5.18 0.00 -1.26 -4.19 121.76 121.30 3g3a s ALA 145 Ca 0.05 -0.10 0.06 0.00 0.00 0.00 0.00 51.96 51.97 3g3a s ALA 145 Cb 0.06 -3.97 -0.03 0.00 0.00 0.00 0.00 23.12 19.18 3g3a s ALA 145 CO 0.71 -2.50 -0.18 1.03 0.00 0.00 0.00 175.76 174.82 3g3a s ARG 146 N 5.16 2.22 0.17 0.00 1.81 -1.26 -1.20 118.95 125.85 3g3a s ARG 146 Ca 0.65 -0.88 -0.31 0.00 -1.72 0.00 0.00 55.73 53.47 3g3a s ARG 146 Cb -0.15 -2.23 -0.09 0.00 -0.45 0.00 0.00 34.95 32.02 3g3a s ARG 146 CO 0.32 0.57 1.49 0.00 -0.68 0.00 0.00 175.30 177.01 3g3a s SER 148 N 0.98 6.79 0.00 0.00 1.04 0.37 -0.47 113.70 122.41 3g3a s SER 148 Ca 0.66 2.67 0.00 0.00 0.48 0.00 0.00 55.95 59.76 3g3a s SER 148 Cb -0.41 -2.65 0.00 0.00 0.10 0.00 0.00 66.02 63.06 3g3a s SER 148 CO 0.33 -0.52 0.00 0.61 0.98 0.00 0.00 173.24 174.64 3g3a n GLY 149 N 0.85 2.07 0.09 7.32 0.00 -1.26 -4.50 105.19 109.75 3g3a n GLY 149 Ca 0.00 -0.48 -0.04 0.00 0.00 0.00 0.00 46.02 45.50 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 1.49 -1.33 2.61 1.35 -1.97 -3.47 112.91 111.58 3g3a h THR 150 Ca 0.00 -3.01 -0.38 0.00 -0.55 0.00 0.00 66.41 62.46 3g3a h THR 150 Cb 0.00 2.68 -0.14 0.00 -1.73 0.00 0.00 68.15 68.96 3g3a h THR 150 CO 0.00 0.83 -0.36 -3.20 -0.25 0.00 0.00 175.52 172.54 3g3a n ASN 151 N -3.36 -4.96 -4.90 5.36 5.15 0.38 -4.98 115.26 107.95 3g3a n ASN 151 Ca 0.00 0.42 -0.28 0.00 -0.60 0.00 0.00 54.58 54.12 3g3a n ASN 151 Cb 0.86 -4.40 0.01 0.00 -0.53 0.00 0.00 39.78 35.73 3g3a n ASN 151 CO 0.00 0.00 0.00 0.42 1.40 0.00 0.00 177.26 179.08 3g3a s THR 152 N -2.62 4.39 0.04 -0.44 -4.23 -1.26 -4.68 115.64 106.84 3g3a s THR 152 Ca 0.00 0.29 -0.30 0.00 -1.18 0.00 0.00 61.69 60.50 3g3a s THR 152 Cb 0.00 -3.71 -0.05 0.00 1.34 0.00 0.00 72.50 70.08 3g3a s THR 152 CO 0.00 -0.78 1.15 -2.84 -0.54 0.00 0.00 174.62 171.61 3g3a s PRO 153 N -4.95 4.45 0.51 3.99 0.02 -1.26 -0.15 135.00 137.61 3g3a s PRO 153 Ca 0.52 1.68 0.32 0.00 0.02 0.00 0.00 61.00 63.54 3g3a s PRO 153 Cb -0.11 -3.39 1.45 0.00 0.02 0.00 0.00 34.50 32.47 3g3a s PRO 153 CO 0.47 -0.23 1.81 0.28 -0.33 0.00 0.00 177.00 179.01 3g3a h VAL 154 N 4.62 0.46 0.00 3.83 2.07 -1.47 0.26 116.25 126.01 3g3a h VAL 154 Ca -0.41 -0.03 0.00 0.00 0.82 0.00 0.00 66.70 67.08 3g3a h VAL 154 Cb 1.21 0.37 0.00 0.00 -1.52 0.00 0.00 31.29 31.35 3g3a h VAL 154 CO 0.80 0.01 0.00 0.08 0.02 0.00 0.00 177.57 178.49 3g3a h ARG 155 N 0.08 0.00 -0.00 1.57 0.11 -1.82 -2.41 114.38 111.90 3g3a h ARG 155 Ca 0.55 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.63 3g3a h ARG 155 Cb 2.01 0.00 0.00 0.00 1.11 0.00 0.00 29.97 33.09 3g3a h ARG 155 CO -0.07 0.00 -0.23 0.00 0.10 0.00 0.00 179.97 179.77 3g3a n ALA 156 N -1.83 3.00 -2.60 0.08 0.00 0.90 -4.78 120.51 115.28 3g3a n ALA 156 Ca 0.04 -0.33 -0.42 0.00 0.00 0.00 0.00 53.44 52.73 3g3a n ALA 156 Cb 0.36 -1.22 -0.03 0.00 0.00 0.00 0.00 19.45 18.56 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 -2.60 4.57 0.37 0.00 1.01 -0.91 -5.04 120.40 117.80 3g3a s VAL 157 Ca 0.23 1.85 0.05 0.00 0.00 0.00 0.00 61.98 64.11 3g3a s VAL 157 Cb 0.19 -4.19 -0.07 0.00 0.00 0.00 0.00 36.38 32.32 3g3a s VAL 157 CO 0.53 0.06 0.04 0.42 0.00 0.00 0.00 175.10 176.16 3g3a s THR 158 N 1.63 1.53 0.07 3.92 -4.23 -1.26 -4.82 115.64 112.47 3g3a s THR 158 Ca 0.53 -2.00 -0.15 0.00 -1.18 0.00 0.00 61.69 58.88 3g3a s THR 158 Cb -0.22 -2.85 -0.04 0.00 1.34 0.00 0.00 72.50 70.73 3g3a s THR 158 CO 0.23 0.00 1.26 -0.33 -0.54 0.00 0.00 174.62 175.25 3g3a h GLU 159 N 1.92 -0.10 0.00 3.99 5.08 -1.96 -2.97 114.58 120.54 3g3a h GLU 159 Ca -0.42 0.01 0.00 0.00 -1.00 0.00 0.00 59.36 57.94 3g3a h GLU 159 Cb 1.25 0.02 0.00 0.00 0.50 0.00 0.00 28.75 30.52 3g3a h GLU 159 CO 0.74 -0.06 0.51 0.00 -1.00 0.00 0.00 179.01 179.20 3g3a n ALA 160 N -3.00 0.30 -0.07 3.43 0.00 -1.26 0.19 120.51 120.10 3g3a n ALA 160 Ca -0.00 0.05 0.07 0.00 0.00 0.00 0.00 53.44 53.56 3g3a n ALA 160 Cb 0.14 -0.37 0.17 0.00 0.00 0.00 0.00 19.45 19.40 3g3a n ALA 160 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 3g3a n SER 161 N -1.79 3.00 -4.45 0.00 7.64 -1.12 -5.01 113.62 111.88 3g3a n SER 161 Ca -0.00 -1.92 -0.25 0.00 1.01 0.00 0.00 58.87 57.70 3g3a n SER 161 Cb 0.52 -0.24 -0.11 0.00 -1.01 0.00 0.00 64.21 63.37 3g3a n SER 161 CO 0.00 0.00 0.00 0.42 -3.01 0.00 0.00 175.04 172.45 3g3a s THR 162 N -1.04 2.45 -0.07 0.44 -4.23 0.50 -4.62 115.64 109.08 3g3a s THR 162 Ca 0.27 -2.22 -0.12 0.00 -1.18 0.00 0.00 61.69 58.44 3g3a s THR 162 Cb 0.15 -2.24 0.03 0.00 1.34 0.00 0.00 72.50 71.78 3g3a s THR 162 CO 0.20 -0.27 0.30 -0.55 -0.54 0.00 0.00 174.62 173.76 3g3a s SER 163 N -3.12 -0.25 0.17 3.99 0.15 -1.15 -4.87 113.70 108.62 3g3a s SER 163 Ca 0.26 0.37 0.19 0.00 0.70 0.00 0.00 55.95 57.47 3g3a s SER 163 Cb -0.06 0.49 0.83 0.00 -1.71 0.00 0.00 66.02 65.57 3g3a s SER 163 CO 0.13 -0.25 1.59 -2.65 1.20 0.00 0.00 173.24 173.25 3g3a n PRO 164 N 2.20 0.12 0.21 5.44 -0.02 -1.26 -2.26 135.00 139.43 3g3a n PRO 164 Ca -0.17 0.40 0.08 0.00 -2.02 0.00 0.00 63.50 61.78 3g3a n PRO 164 Cb 0.57 -1.74 0.43 0.00 -0.02 0.00 0.00 33.50 32.74 3g3a n PRO 164 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 3g3a h SER 165 N 0.00 0.00 -0.32 2.55 4.64 -1.95 -3.26 113.55 115.20 3g3a h SER 165 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3g3a h SER 165 Cb 0.27 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.36 3g3a h SER 165 CO 0.00 0.29 0.00 0.29 -0.87 0.00 0.00 176.83 176.54 3g3a n LYS 166 N -3.57 2.84 0.00 4.77 5.02 -0.96 -5.11 118.16 121.16 3g3a n LYS 166 Ca -0.01 -1.62 0.06 0.00 -2.02 0.00 0.00 58.31 54.73 3g3a n LYS 166 Cb 0.43 -1.79 0.05 0.00 -0.02 0.00 0.00 35.03 33.71 3g3a n LYS 166 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88