#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3bsq s ILE 17 N 0.00 4.07 -1.05 9.51 -1.09 0.18 -4.01 121.20 128.81 3bsq s ILE 17 Ca 0.00 -0.30 -0.04 0.00 -2.23 0.00 0.00 60.65 58.08 3bsq s ILE 17 Cb 0.00 -2.78 0.00 0.00 -1.58 0.00 0.00 42.46 38.10 3bsq s ILE 17 CO 0.00 0.50 0.52 -0.67 -1.23 0.00 0.00 174.94 174.06 3bsq n ASP 18 N 3.37 -4.81 -0.22 3.58 4.64 -1.26 -2.75 116.55 119.10 3bsq n ASP 18 Ca -0.17 -0.24 0.00 0.00 -1.38 0.00 0.00 54.79 53.00 3bsq n ASP 18 Cb 0.53 -3.61 0.00 0.00 -1.04 0.00 0.00 41.12 36.99 3bsq n ASP 18 CO 0.00 0.00 0.00 0.61 -0.82 0.00 0.00 177.20 176.99 3bsq n GLY 19 N -1.35 5.84 3.11 0.27 0.00 -1.26 -4.87 105.19 106.93 3bsq n GLY 19 Ca -0.06 -2.05 -0.08 0.00 0.00 0.00 0.00 46.02 43.83 3bsq n GLY 19 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3bsq s ALA 20 N -2.00 0.22 0.03 4.61 0.00 0.18 -4.89 121.76 119.91 3bsq s ALA 20 Ca 0.00 -0.91 -0.31 0.00 0.00 0.00 0.00 51.96 50.74 3bsq s ALA 20 Cb 0.00 0.30 -0.10 0.00 0.00 0.00 0.00 23.12 23.32 3bsq s ALA 20 CO 0.00 -0.37 1.93 -0.35 0.00 0.00 0.00 175.76 176.97 3bsq n PRO 21 N 0.33 2.74 -1.76 0.00 -0.04 -1.26 -0.31 135.00 134.70 3bsq n PRO 21 Ca -0.16 1.00 -0.41 0.00 -0.04 0.00 0.00 63.50 63.89 3bsq n PRO 21 Cb 0.60 -2.93 -0.01 0.00 -0.04 0.00 0.00 33.50 31.13 3bsq n PRO 21 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3bsq s ALA 23 N -0.54 3.75 -0.01 0.00 0.00 -1.26 -4.89 121.76 118.80 3bsq s ALA 23 Ca 0.59 1.37 -0.32 0.00 0.00 0.00 0.00 51.96 53.60 3bsq s ALA 23 Cb -0.49 -3.61 -0.16 0.00 0.00 0.00 0.00 23.12 18.86 3bsq s ALA 23 CO 0.56 -0.78 0.86 0.54 0.00 0.00 0.00 175.76 176.94 3bsq n ARG 24 N 3.68 0.00 -1.28 0.00 5.12 -1.26 -1.83 116.66 121.09 3bsq n ARG 24 Ca 0.13 0.00 -0.11 0.00 -1.93 0.00 0.00 57.85 55.93 3bsq n ARG 24 Cb 0.39 -1.18 -0.05 0.00 -1.16 0.00 0.00 32.46 30.46 3bsq n ARG 24 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 3bsq n GLY 25 N 1.24 1.07 0.43 -0.13 0.00 -1.26 -4.83 105.19 101.71 3bsq n GLY 25 Ca 0.16 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.32 3bsq n GLY 25 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3bsq n SER 26 N -0.88 1.38 -2.83 1.61 3.41 -0.76 -4.36 113.62 111.18 3bsq n SER 26 Ca -0.11 -1.42 -0.19 0.00 -0.26 0.00 0.00 58.87 56.89 3bsq n SER 26 Cb 0.54 0.01 -0.01 0.00 -0.26 0.00 0.00 64.21 64.49 3bsq n SER 26 CO 0.00 0.00 0.00 1.41 -0.16 0.00 0.00 175.04 176.29 3bsq n HIS 27 N 0.04 1.95 1.01 7.33 8.25 -1.26 -4.91 115.22 127.63 3bsq n HIS 27 Ca 0.19 -3.41 0.11 0.00 -0.26 0.00 0.00 57.72 54.35 3bsq n HIS 27 Cb 0.34 -0.35 0.55 0.00 1.12 0.00 0.00 29.99 31.65 3bsq n HIS 27 CO 0.00 0.00 0.00 -0.35 0.64 0.00 0.00 176.34 176.63 3bsq n PRO 28 N -0.09 0.26 0.02 -0.41 -0.04 -1.26 -1.40 135.00 132.08 3bsq n PRO 28 Ca 0.25 0.08 0.11 0.00 -0.04 0.00 0.00 63.50 63.90 3bsq n PRO 28 Cb 0.65 -1.50 0.11 0.00 -0.04 0.00 0.00 33.50 32.72 3bsq n PRO 28 CO 0.00 0.00 0.00 -2.67 -0.04 0.00 0.00 175.50 172.79 3bsq n TRP 29 N -1.32 0.17 -2.53 0.54 2.14 -1.24 -1.52 117.44 113.68 3bsq n TRP 29 Ca 0.10 0.05 -0.41 0.00 2.07 0.00 0.00 57.50 59.30 3bsq n TRP 29 Cb 0.19 -0.34 -0.04 0.00 -0.81 0.00 0.00 31.31 30.32 3bsq n TRP 29 CO 0.00 0.00 0.00 -1.14 2.07 0.00 0.00 177.69 178.62 3bsq s GLN 30 N -3.10 4.55 0.29 -2.67 2.00 -0.49 -0.06 119.66 120.19 3bsq s GLN 30 Ca 0.07 1.68 0.04 0.00 -2.00 0.00 0.00 55.36 55.15 3bsq s GLN 30 Cb 0.16 -3.32 -0.06 0.00 0.80 0.00 0.00 33.01 30.58 3bsq s GLN 30 CO 0.76 -0.02 0.03 0.14 -0.50 0.00 0.00 175.29 175.69 3bsq s VAL 31 N 0.28 1.20 0.01 1.34 -7.23 -0.27 -4.79 120.40 110.95 3bsq s VAL 31 Ca 0.52 -2.03 0.07 0.00 -1.81 0.00 0.00 61.98 58.73 3bsq s VAL 31 Cb -0.28 -2.62 -0.02 0.00 0.56 0.00 0.00 36.38 34.01 3bsq s VAL 31 CO 0.32 -0.13 -0.22 0.00 -0.31 0.00 0.00 175.10 174.76 3bsq s ALA 32 N -3.30 1.87 -0.26 1.32 0.00 -0.14 -2.27 121.76 118.97 3bsq s ALA 32 Ca 0.34 -1.03 -0.06 0.00 0.00 0.00 0.00 51.96 51.20 3bsq s ALA 32 Cb 0.07 -0.43 -0.01 0.00 0.00 0.00 0.00 23.12 22.75 3bsq s ALA 32 CO 0.13 0.44 0.05 -0.51 0.00 0.00 0.00 175.76 175.88 3bsq s LEU 33 N -0.83 3.49 0.10 0.00 1.43 0.36 -0.03 118.68 123.19 3bsq s LEU 33 Ca 0.09 -0.44 0.06 0.00 -1.03 0.00 0.00 54.13 52.81 3bsq s LEU 33 Cb -0.09 -1.87 -0.04 0.00 0.03 0.00 0.00 46.19 44.22 3bsq s LEU 33 CO 0.00 -0.09 -0.07 -0.76 0.23 0.00 0.00 176.35 175.66 3bsq s LEU 34 N 1.54 3.16 0.01 1.79 1.43 0.10 -0.94 118.68 125.76 3bsq s LEU 34 Ca 0.05 -0.32 0.05 0.00 -1.03 0.00 0.00 54.13 52.87 3bsq s LEU 34 Cb -0.16 -1.93 -0.01 0.00 0.03 0.00 0.00 46.19 44.12 3bsq s LEU 34 CO 0.02 0.18 -0.14 -0.55 0.23 0.00 0.00 176.35 176.09 3bsq s SER 35 N -2.21 1.68 1.79 2.29 0.15 -0.27 -1.76 113.70 115.38 3bsq s SER 35 Ca 0.22 -0.32 0.00 0.00 0.70 0.00 0.00 55.95 56.55 3bsq s SER 35 Cb -0.11 -0.16 0.00 0.00 -1.71 0.00 0.00 66.02 64.04 3bsq s SER 35 CO 0.15 0.13 0.00 0.61 1.20 0.00 0.00 173.24 175.33 3bsq n GLY 36 N 2.46 3.30 0.77 9.45 0.00 -1.26 0.28 105.19 120.19 3bsq n GLY 36 Ca -0.15 0.26 0.04 0.00 0.00 0.00 0.00 46.02 46.17 3bsq n GLY 36 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3bsq n ASN 37 N 9.19 1.12 -4.81 1.61 5.03 -1.26 -5.01 115.26 121.13 3bsq n ASN 37 Ca 0.00 -2.61 -0.39 0.00 0.87 0.00 0.00 54.58 52.46 3bsq n ASN 37 Cb 0.00 -0.35 -0.06 0.00 -1.02 0.00 0.00 39.78 38.35 3bsq n ASN 37 CO 0.00 0.00 0.00 -1.58 -1.83 0.00 0.00 177.26 173.85 3bsq s GLN 38 N -1.22 4.19 0.21 3.52 2.00 0.14 -5.04 119.66 123.46 3bsq s GLN 38 Ca 0.25 0.71 -0.32 0.00 -2.00 0.00 0.00 55.36 54.00 3bsq s GLN 38 Cb 0.26 -3.25 -0.12 0.00 0.80 0.00 0.00 33.01 30.70 3bsq s GLN 38 CO -0.07 0.62 1.70 -0.11 -0.50 0.00 0.00 175.29 176.94 3bsq n LEU 39 N 1.81 3.92 -0.01 3.68 7.94 -1.26 -1.11 117.00 131.96 3bsq n LEU 39 Ca -0.10 1.07 -0.02 0.00 -1.11 0.00 0.00 56.01 55.85 3bsq n LEU 39 Cb 0.51 -1.56 -0.01 0.00 0.53 0.00 0.00 43.42 42.89 3bsq n LEU 39 CO 0.41 0.13 -0.58 1.57 -1.11 0.00 0.00 177.39 177.81 3bsq n HIS 40 N 3.76 0.00 -3.69 1.96 -0.00 -0.11 -4.86 115.22 112.28 3bsq n HIS 40 Ca 0.16 0.00 -0.10 0.00 -0.00 0.00 0.00 57.72 57.77 3bsq n HIS 40 Cb 0.34 -0.09 -0.05 0.00 -0.00 0.00 0.00 29.99 30.20 3bsq n HIS 40 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 3bsq n GLY 42 N -0.25 0.99 0.00 0.00 0.00 -0.16 -0.49 105.19 105.28 3bsq n GLY 42 Ca -0.14 -2.03 0.00 0.00 0.00 0.00 0.00 46.02 43.86 3bsq n GLY 42 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3bsq n GLY 43 N 1.94 -0.40 3.10 -0.02 0.00 -0.96 -4.29 105.19 104.56 3bsq n GLY 43 Ca 0.07 -0.99 -0.22 0.00 0.00 0.00 0.00 46.02 44.88 3bsq n GLY 43 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3bsq s VAL 44 N -2.00 1.09 -0.51 1.61 -7.23 0.92 -1.12 120.40 113.16 3bsq s VAL 44 Ca 0.00 -0.59 -0.27 0.00 -1.81 0.00 0.00 61.98 59.31 3bsq s VAL 44 Cb 0.00 -0.91 0.03 0.00 0.56 0.00 0.00 36.38 36.06 3bsq s VAL 44 CO 0.00 0.31 1.04 -0.22 -0.31 0.00 0.00 175.10 175.92 3bsq s LEU 45 N -0.31 3.80 0.07 1.32 2.96 0.91 -4.22 118.68 123.21 3bsq s LEU 45 Ca 0.05 0.14 -0.09 0.00 -0.22 0.00 0.00 54.13 54.01 3bsq s LEU 45 Cb -0.05 -3.23 -0.28 0.00 0.50 0.00 0.00 46.19 43.12 3bsq s LEU 45 CO -0.00 -1.23 1.12 -0.37 -1.32 0.00 0.00 176.35 174.55 3bsq h VAL 46 N 6.13 1.40 -2.18 1.68 -1.51 -1.65 0.25 116.25 120.38 3bsq h VAL 46 Ca -0.24 -2.81 0.04 0.00 -1.23 0.00 0.00 66.70 62.45 3bsq h VAL 46 Cb 1.07 2.87 -0.01 0.00 -2.13 0.00 0.00 31.29 33.09 3bsq h VAL 46 CO 1.10 0.83 0.20 -0.46 -1.23 0.00 0.00 177.57 178.02 3bsq n ASN 47 N -3.64 -0.86 0.06 4.19 6.94 -1.21 -4.41 115.26 116.33 3bsq n ASN 47 Ca -0.11 -1.52 0.21 0.00 -0.02 0.00 0.00 54.58 53.14 3bsq n ASN 47 Cb 1.02 1.41 0.72 0.00 -2.36 0.00 0.00 39.78 40.57 3bsq n ASN 47 CO 0.00 0.00 0.00 -0.33 -1.03 0.00 0.00 177.26 175.90 3bsq h GLU 48 N 0.00 0.00 -0.01 -3.83 3.07 -1.94 -1.89 114.58 109.97 3bsq h GLU 48 Ca -0.13 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.73 3bsq h GLU 48 Cb 0.53 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.44 3bsq h GLU 48 CO 0.17 0.00 -0.04 0.54 -1.40 0.00 0.00 179.01 178.28 3bsq n ARG 49 N -3.68 0.77 -3.92 2.33 5.12 -1.26 -2.21 116.66 113.81 3bsq n ARG 49 Ca 0.09 -0.97 -0.10 0.00 -1.93 0.00 0.00 57.85 54.93 3bsq n ARG 49 Cb 0.70 -1.16 -0.11 0.00 -1.16 0.00 0.00 32.46 30.73 3bsq n ARG 49 CO 0.00 0.00 0.00 -1.58 -1.93 0.00 0.00 177.63 174.12 3bsq s TRP 50 N -0.93 0.14 -0.04 -1.55 0.52 -0.71 -0.36 118.94 116.01 3bsq s TRP 50 Ca 0.11 -0.30 -0.11 0.00 0.02 0.00 0.00 56.10 55.81 3bsq s TRP 50 Cb 0.08 -0.11 0.02 0.00 -1.15 0.00 0.00 33.47 32.31 3bsq s TRP 50 CO 0.15 -0.21 0.25 0.08 0.02 0.00 0.00 176.95 177.24 3bsq s VAL 51 N -1.28 0.04 0.00 4.03 1.01 -0.99 -1.65 120.40 121.56 3bsq s VAL 51 Ca -0.14 -0.36 0.00 0.00 0.00 0.00 0.00 61.98 61.48 3bsq s VAL 51 Cb -0.08 -0.49 0.00 0.00 0.00 0.00 0.00 36.38 35.81 3bsq s VAL 51 CO 0.00 -0.20 0.00 0.18 0.00 0.00 0.00 175.10 175.08 3bsq n LEU 52 N 1.90 -1.86 -4.06 3.92 7.99 -0.95 0.52 117.00 124.45 3bsq n LEU 52 Ca -0.19 0.00 -0.15 0.00 -0.01 0.00 0.00 56.01 55.67 3bsq n LEU 52 Cb 0.57 -0.93 -0.03 0.00 -0.11 0.00 0.00 43.42 42.91 3bsq n LEU 52 CO 0.20 0.00 0.20 -0.89 -1.51 0.00 0.00 177.39 175.39 3bsq s THR 53 N -1.80 0.00 0.38 -5.08 2.01 -0.86 -0.06 115.64 110.23 3bsq s THR 53 Ca 0.00 -1.53 -0.21 0.00 0.31 0.00 0.00 61.69 60.26 3bsq s THR 53 Cb 0.00 -2.71 -0.10 0.00 0.01 0.00 0.00 72.50 69.70 3bsq s THR 53 CO 0.00 0.00 0.90 0.00 -0.69 0.00 0.00 174.62 174.83 3bsq s ALA 54 N -2.85 3.14 0.21 7.40 0.00 -1.26 -0.85 121.76 127.55 3bsq s ALA 54 Ca 0.29 0.34 -0.09 0.00 0.00 0.00 0.00 51.96 52.50 3bsq s ALA 54 Cb -0.01 -3.06 0.16 0.00 0.00 0.00 0.00 23.12 20.20 3bsq s ALA 54 CO 0.20 0.19 1.84 0.00 0.00 0.00 0.00 175.76 177.99 3bsq h ALA 55 N 2.26 0.99 0.00 0.00 0.00 -1.70 -2.35 119.26 118.46 3bsq h ALA 55 Ca -0.48 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.32 3bsq h ALA 55 Cb 1.18 -0.31 0.00 0.00 0.00 0.00 0.00 17.79 18.66 3bsq h ALA 55 CO 0.63 0.48 0.00 -2.39 0.00 0.00 0.00 179.25 177.97 3bsq n HIS 56 N -4.46 0.00 1.84 0.00 1.44 -1.26 -1.02 115.22 111.77 3bsq n HIS 56 Ca 0.07 0.00 0.05 0.00 -2.01 0.00 0.00 57.72 55.84 3bsq n HIS 56 Cb 0.08 -0.37 0.28 0.00 0.12 0.00 0.00 29.99 30.10 3bsq n HIS 56 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 3bsq n LYS 58 N -0.47 1.78 -3.77 0.00 3.00 -0.19 -4.98 118.16 113.53 3bsq n LYS 58 Ca 0.08 0.64 -0.07 0.00 -0.00 0.00 0.00 58.31 58.96 3bsq n LYS 58 Cb 0.08 -2.37 -0.02 0.00 0.00 0.00 0.00 35.03 32.72 3bsq n LYS 58 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 177.40 175.76 3bsq s MET 59 N -2.32 1.61 0.25 1.64 -1.94 -1.26 -5.04 119.30 112.25 3bsq s MET 59 Ca 0.64 -0.85 0.14 0.00 -1.71 0.00 0.00 55.69 53.90 3bsq s MET 59 Cb -0.49 0.58 0.04 0.00 2.01 0.00 0.00 34.83 36.96 3bsq s MET 59 CO 0.56 -0.74 1.42 -2.95 -0.01 0.00 0.00 175.02 173.31 3bsq h ASN 60 N 2.00 0.00 0.00 3.03 -1.07 -1.95 -3.47 115.58 114.13 3bsq h ASN 60 Ca -0.22 0.00 0.00 0.00 0.07 0.00 0.00 56.30 56.15 3bsq h ASN 60 Cb 1.26 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 37.51 3bsq h ASN 60 CO 0.26 0.59 0.00 -1.84 0.07 0.00 0.00 177.43 176.50 3bsq n GLU 61 N -3.26 -2.76 0.00 4.14 0.28 -1.26 -4.62 120.64 113.16 3bsq n GLU 61 Ca 0.02 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 57.02 3bsq n GLU 61 Cb 0.76 0.00 0.00 0.00 1.43 0.00 0.00 31.44 33.63 3bsq n GLU 61 CO 0.00 0.00 0.00 0.66 -0.16 0.00 0.00 177.13 177.63 3bsq n TYR 62 N 1.14 0.00 -3.81 -1.84 0.53 -1.26 -4.95 117.16 106.97 3bsq n TYR 62 Ca 0.00 0.00 -0.36 0.00 -1.02 0.00 0.00 57.90 56.52 3bsq n TYR 62 Cb 0.00 0.00 -0.13 0.00 -1.03 0.00 0.00 39.34 38.18 3bsq n TYR 62 CO 0.00 0.00 0.00 0.99 -1.02 0.00 0.00 176.86 176.83 3bsq s THR 63 N 0.00 3.85 -0.22 -0.72 2.01 -0.72 -1.54 115.64 118.29 3bsq s THR 63 Ca 0.00 -0.51 -0.15 0.00 0.31 0.00 0.00 61.69 61.34 3bsq s THR 63 Cb 0.00 -2.87 -0.04 0.00 0.01 0.00 0.00 72.50 69.60 3bsq s THR 63 CO 0.00 0.25 0.35 -0.69 -0.69 0.00 0.00 174.62 173.85 3bsq s VAL 64 N 1.52 5.22 -0.17 3.82 1.01 0.31 -0.72 120.40 131.38 3bsq s VAL 64 Ca 0.04 0.60 -0.07 0.00 0.00 0.00 0.00 61.98 62.55 3bsq s VAL 64 Cb -0.16 -3.69 -0.04 0.00 0.00 0.00 0.00 36.38 32.50 3bsq s VAL 64 CO 0.01 0.25 0.06 -2.28 0.00 0.00 0.00 175.10 173.14 3bsq s HIS 65 N 1.38 3.25 -0.22 5.22 5.65 0.96 -1.10 115.29 130.43 3bsq s HIS 65 Ca 0.16 0.08 -0.28 0.00 0.25 0.00 0.00 55.06 55.27 3bsq s HIS 65 Cb -0.15 -2.05 0.14 0.00 -1.18 0.00 0.00 32.58 29.34 3bsq s HIS 65 CO 0.08 0.18 1.09 -0.48 -0.65 0.00 0.00 174.74 174.96 3bsq s LEU 66 N 0.24 -0.32 -0.14 8.88 0.05 -1.03 -0.97 118.68 125.40 3bsq s LEU 66 Ca 0.04 0.44 -0.06 0.00 0.05 0.00 0.00 54.13 54.60 3bsq s LEU 66 Cb -0.12 1.70 0.07 0.00 -2.05 0.00 0.00 46.19 45.78 3bsq s LEU 66 CO 0.00 -0.23 0.30 -0.83 -0.55 0.00 0.00 176.35 175.05 3bsq s GLY 67 N -0.68 -0.18 0.00 -3.48 0.00 -1.24 0.36 107.32 102.10 3bsq s GLY 67 Ca 0.02 1.10 0.00 0.00 0.00 0.00 0.00 44.72 45.83 3bsq s GLY 67 CO -0.03 1.91 0.00 -1.26 0.00 0.00 0.00 173.10 173.72 3bsq n SER 68 N 5.09 0.00 0.00 1.64 2.88 -1.26 -4.62 113.62 117.35 3bsq n SER 68 Ca -0.11 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.43 3bsq n SER 68 Cb 0.51 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.97 3bsq n SER 68 CO 0.00 0.00 0.00 0.47 -1.23 0.00 0.00 175.04 174.28 3bsq n ASP 69 N 0.00 0.00 -4.40 -3.46 10.43 -1.26 -4.80 116.55 113.06 3bsq n ASP 69 Ca 0.00 0.00 -0.32 0.00 2.57 0.00 0.00 54.79 57.04 3bsq n ASP 69 Cb 0.00 0.00 -0.14 0.00 1.84 0.00 0.00 41.12 42.82 3bsq n ASP 69 CO 0.00 0.00 0.00 -0.89 -1.07 0.00 0.00 177.20 175.24 3bsq s THR 70 N 0.00 2.82 -0.52 -3.53 2.01 -1.26 0.42 115.64 115.59 3bsq s THR 70 Ca 0.00 -0.79 -0.17 0.00 0.31 0.00 0.00 61.69 61.04 3bsq s THR 70 Cb 0.00 -2.11 0.10 0.00 0.01 0.00 0.00 72.50 70.49 3bsq s THR 70 CO 0.00 0.57 0.51 -0.76 -0.69 0.00 0.00 174.62 174.25 3bsq s LEU 71 N -0.32 5.70 0.00 4.42 1.43 -0.31 -4.06 118.68 125.53 3bsq s LEU 71 Ca 0.02 -1.45 0.00 0.00 -1.03 0.00 0.00 54.13 51.67 3bsq s LEU 71 Cb -0.13 -2.25 0.00 0.00 0.03 0.00 0.00 46.19 43.85 3bsq s LEU 71 CO 0.02 -0.83 0.00 0.61 0.23 0.00 0.00 176.35 176.38 3bsq n GLY 72 N 5.23 3.85 3.18 -3.19 0.00 -1.26 -4.84 105.19 108.15 3bsq n GLY 72 Ca -0.12 -1.18 -0.11 0.00 0.00 0.00 0.00 46.02 44.62 3bsq n GLY 72 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 3bsq s ASP 73 N 0.00 1.15 0.00 1.61 1.47 -1.26 -5.00 116.67 114.65 3bsq s ASP 73 Ca 0.00 -1.02 0.00 0.00 1.18 0.00 0.00 52.55 52.71 3bsq s ASP 73 Cb 0.00 0.10 0.00 0.00 -0.34 0.00 0.00 42.92 42.68 3bsq s ASP 73 CO 0.00 -0.47 0.14 0.54 0.68 0.00 0.00 175.17 176.06 3bsq n ARG 74 N -0.06 0.00 -3.80 2.11 1.74 -1.26 -3.77 116.66 111.62 3bsq n ARG 74 Ca -0.12 0.14 -0.28 0.00 -0.77 0.00 0.00 57.85 56.82 3bsq n ARG 74 Cb 0.61 -0.24 -0.16 0.00 -1.02 0.00 0.00 32.46 31.65 3bsq n ARG 74 CO 0.00 0.00 0.00 1.03 -1.52 0.00 0.00 177.63 177.14 3bsq s ARG 75 N -1.91 0.98 0.00 5.56 0.52 -1.26 -4.88 118.95 117.96 3bsq s ARG 75 Ca 0.00 -0.60 0.00 0.00 -0.52 0.00 0.00 55.73 54.61 3bsq s ARG 75 Cb 0.00 -2.25 0.00 0.00 0.52 0.00 0.00 34.95 33.22 3bsq s ARG 75 CO 0.00 -0.62 0.00 0.00 0.02 0.00 0.00 175.30 174.70 3bsq n ALA 76 N 4.93 0.00 -2.61 2.13 0.00 -1.25 -4.85 120.51 118.86 3bsq n ALA 76 Ca -0.10 0.00 -0.33 0.00 0.00 0.00 0.00 53.44 53.01 3bsq n ALA 76 Cb 0.46 0.00 -0.13 0.00 0.00 0.00 0.00 19.45 19.78 3bsq n ALA 76 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 3bsq s GLN 77 N 3.99 2.74 -0.05 0.00 -0.21 1.14 -3.70 119.66 123.57 3bsq s GLN 77 Ca 0.00 -0.65 -0.09 0.00 0.02 0.00 0.00 55.36 54.63 3bsq s GLN 77 Cb 0.00 -2.49 -0.05 0.00 1.00 0.00 0.00 33.01 31.48 3bsq s GLN 77 CO 0.00 0.56 0.26 1.03 -2.12 0.00 0.00 175.29 175.02 3bsq s ARG 78 N -0.54 3.64 -0.02 2.91 3.00 -1.26 -2.45 118.95 124.22 3bsq s ARG 78 Ca 0.08 0.07 -0.01 0.00 0.00 0.00 0.00 55.73 55.86 3bsq s ARG 78 Cb -0.12 -3.17 0.01 0.00 0.00 0.00 0.00 34.95 31.68 3bsq s ARG 78 CO 0.02 0.72 0.04 0.42 0.00 0.00 0.00 175.30 176.49 3bsq s ILE 79 N -1.12 -0.01 0.27 1.52 1.01 -0.26 -4.96 121.20 117.65 3bsq s ILE 79 Ca 0.21 0.05 -0.11 0.00 0.00 0.00 0.00 60.65 60.81 3bsq s ILE 79 Cb -0.14 -0.08 -0.08 0.00 0.01 0.00 0.00 42.46 42.18 3bsq s ILE 79 CO 0.10 0.02 0.62 -0.75 0.00 0.00 0.00 174.94 174.93 3bsq s LYS 80 N 0.30 3.85 0.00 2.79 2.20 -1.26 0.11 119.74 127.73 3bsq s LYS 80 Ca -0.02 0.38 0.00 0.00 -0.36 0.00 0.00 55.97 55.97 3bsq s LYS 80 Cb -0.03 -2.57 0.00 0.00 -1.51 0.00 0.00 37.83 33.72 3bsq s LYS 80 CO -0.01 0.25 0.00 0.00 -0.36 0.00 0.00 175.35 175.23 3bsq n ALA 81 N -0.31 0.69 0.00 3.13 0.00 -0.59 -0.87 120.51 122.56 3bsq n ALA 81 Ca 0.01 -0.09 0.00 0.00 0.00 0.00 0.00 53.44 53.37 3bsq n ALA 81 Cb 0.53 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.98 3bsq n ALA 81 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 3bsq n SER 82 N -1.91 0.00 -4.37 0.00 7.64 -1.26 -3.75 113.62 109.96 3bsq n SER 82 Ca 0.00 0.00 -0.31 0.00 1.01 0.00 0.00 58.87 59.57 3bsq n SER 82 Cb 0.00 0.00 -0.15 0.00 -1.01 0.00 0.00 64.21 63.05 3bsq n SER 82 CO 0.00 0.00 0.00 -0.75 -3.01 0.00 0.00 175.04 171.28 3bsq s LYS 83 N 0.00 2.08 -0.20 1.43 2.47 -1.26 -4.80 119.74 119.46 3bsq s LYS 83 Ca 0.00 -0.95 -0.27 0.00 -1.56 0.00 0.00 55.97 53.19 3bsq s LYS 83 Cb 0.00 -2.11 0.08 0.00 -1.46 0.00 0.00 37.83 34.35 3bsq s LYS 83 CO 0.00 0.55 0.78 -1.54 0.16 0.00 0.00 175.35 175.30 3bsq s SER 84 N -0.96 -0.65 -0.13 1.43 1.04 -1.26 -2.12 113.70 111.06 3bsq s SER 84 Ca 0.12 1.07 -0.00 0.00 0.48 0.00 0.00 55.95 57.61 3bsq s SER 84 Cb -0.10 1.02 0.02 0.00 0.10 0.00 0.00 66.02 67.06 3bsq s SER 84 CO 0.01 -0.34 -0.09 -0.36 0.98 0.00 0.00 173.24 173.43 3bsq s PHE 85 N -0.21 1.70 -0.02 5.02 0.08 0.70 -4.99 117.98 120.26 3bsq s PHE 85 Ca -0.03 -0.90 -0.14 0.00 0.12 0.00 0.00 56.93 55.98 3bsq s PHE 85 Cb -0.03 -1.35 -0.05 0.00 -0.57 0.00 0.00 43.02 41.02 3bsq s PHE 85 CO 0.03 -0.57 0.38 0.50 -0.10 0.00 0.00 175.22 175.46 3bsq s ARG 86 N 1.64 3.91 0.02 0.44 3.52 -1.26 -0.88 118.95 126.33 3bsq s ARG 86 Ca 0.05 0.35 -0.34 0.00 -0.13 0.00 0.00 55.73 55.66 3bsq s ARG 86 Cb -0.13 -3.24 -0.13 0.00 -1.56 0.00 0.00 34.95 29.90 3bsq s ARG 86 CO -0.09 0.66 1.73 1.58 -0.81 0.00 0.00 175.30 178.37 3bsq n HIS 87 N 1.99 2.27 -0.42 5.12 -0.00 -0.87 -4.82 115.22 118.49 3bsq n HIS 87 Ca -0.14 0.15 0.38 0.00 -0.00 0.00 0.00 57.72 58.10 3bsq n HIS 87 Cb 0.53 -2.60 0.72 0.00 -0.00 0.00 0.00 29.99 28.64 3bsq n HIS 87 CO 0.00 0.00 0.00 -1.35 -0.00 0.00 0.00 176.34 174.99 3bsq h PRO 88 N 7.61 0.06 -0.60 1.57 0.11 -1.92 0.52 132.00 139.35 3bsq h PRO 88 Ca -0.47 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.64 3bsq h PRO 88 Cb 1.27 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.36 3bsq h PRO 88 CO 0.92 0.04 0.00 0.41 -0.21 0.00 0.00 178.00 179.16 3bsq n GLY 89 N -1.74 1.89 3.73 -0.55 0.00 -1.26 -4.96 105.19 102.30 3bsq n GLY 89 Ca 0.31 -0.65 -0.42 0.00 0.00 0.00 0.00 46.02 45.27 3bsq n GLY 89 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 3bsq s TYR 90 N -1.43 3.21 0.00 1.61 5.04 0.17 -4.58 117.35 121.37 3bsq s TYR 90 Ca 0.40 1.02 0.00 0.00 -2.44 0.00 0.00 57.07 56.05 3bsq s TYR 90 Cb 0.22 -3.69 0.00 0.00 0.35 0.00 0.00 41.96 38.85 3bsq s TYR 90 CO 0.24 -2.32 0.00 0.45 -1.34 0.00 0.00 175.55 172.58 3bsq n SER 91 N 3.36 0.00 0.00 4.32 2.88 -1.08 -4.99 113.62 118.10 3bsq n SER 91 Ca 0.09 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.63 3bsq n SER 91 Cb 0.42 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.88 3bsq n SER 91 CO 0.00 0.00 0.00 0.41 -1.23 0.00 0.00 175.04 174.22 3bsq n THR 92 N 0.00 0.00 0.16 2.46 -1.04 -1.26 -4.94 114.28 109.65 3bsq n THR 92 Ca 0.00 0.00 -0.07 0.00 -2.04 0.00 0.00 64.05 61.94 3bsq n THR 92 Cb 0.00 0.00 -0.03 0.00 -1.82 0.00 0.00 70.33 68.48 3bsq n THR 92 CO 0.00 0.00 0.00 1.56 -0.64 0.00 0.00 175.07 175.99 3bsq h GLN 93 N 0.00 -0.41 -7.09 -2.82 1.08 -2.00 -3.42 115.11 100.44 3bsq h GLN 93 Ca 0.00 0.03 -0.48 0.00 -1.45 0.00 0.00 58.65 56.74 3bsq h GLN 93 Cb 0.00 0.09 0.05 0.00 -0.05 0.00 0.00 27.48 27.57 3bsq h GLN 93 CO 0.00 -0.27 0.19 0.95 -0.95 0.00 0.00 178.83 178.74 3bsq s THR 94 N -3.22 4.17 -0.65 -0.54 -4.23 -1.26 -5.01 115.64 104.90 3bsq s THR 94 Ca -0.06 0.17 0.01 0.00 -1.18 0.00 0.00 61.69 60.62 3bsq s THR 94 Cb 0.01 -3.63 0.40 0.00 1.34 0.00 0.00 72.50 70.61 3bsq s THR 94 CO 0.19 -0.67 1.71 1.41 -0.54 0.00 0.00 174.62 176.72 3bsq n HIS 95 N -2.51 3.12 -2.16 3.99 8.25 -1.26 -4.17 115.22 120.49 3bsq n HIS 95 Ca 0.03 -2.65 -0.41 0.00 -0.26 0.00 0.00 57.72 54.43 3bsq n HIS 95 Cb 0.56 -0.88 -0.03 0.00 1.12 0.00 0.00 29.99 30.77 3bsq n HIS 95 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 3bsq s VAL 96 N -5.09 2.94 -1.18 1.59 1.01 -1.26 -3.52 120.40 114.89 3bsq s VAL 96 Ca 0.53 0.84 -0.03 0.00 0.00 0.00 0.00 61.98 63.33 3bsq s VAL 96 Cb 0.44 -3.54 0.00 0.00 0.00 0.00 0.00 36.38 33.29 3bsq s VAL 96 CO -0.23 0.16 1.00 0.59 0.00 0.00 0.00 175.10 176.61 3bsq n ASN 97 N 1.88 -3.27 -4.21 3.32 3.02 -1.26 -2.64 115.26 112.10 3bsq n ASN 97 Ca 0.04 -0.56 -0.43 0.00 -0.03 0.00 0.00 54.58 53.59 3bsq n ASN 97 Cb 0.42 -4.86 0.00 0.00 -0.61 0.00 0.00 39.78 34.74 3bsq n ASN 97 CO 0.00 0.00 0.00 -0.67 -2.62 0.00 0.00 177.26 173.97 3bsq n ASP 98 N -2.94 5.06 -3.80 6.41 2.03 -1.23 -4.21 116.55 117.87 3bsq n ASP 98 Ca -0.19 -3.01 -0.11 0.00 0.52 0.00 0.00 54.79 52.00 3bsq n ASP 98 Cb 0.63 -1.56 -0.08 0.00 -0.72 0.00 0.00 41.12 39.39 3bsq n ASP 98 CO 0.00 0.00 0.00 -1.48 -1.92 0.00 0.00 177.20 173.80 3bsq s LEU 99 N 1.22 1.12 -0.08 -2.67 2.34 -1.26 -3.69 118.68 115.65 3bsq s LEU 99 Ca 0.43 -0.29 -0.18 0.00 0.06 0.00 0.00 54.13 54.16 3bsq s LEU 99 Cb 0.04 1.17 0.04 0.00 -0.56 0.00 0.00 46.19 46.87 3bsq s LEU 99 CO 0.00 -0.59 0.42 -0.32 -1.06 0.00 0.00 176.35 174.80 3bsq s MET 100 N -2.61 0.67 -0.11 1.48 -2.45 -0.03 -2.04 119.30 114.20 3bsq s MET 100 Ca -0.05 0.18 -0.05 0.00 -1.25 0.00 0.00 55.69 54.52 3bsq s MET 100 Cb -0.01 0.31 -0.04 0.00 1.25 0.00 0.00 34.83 36.35 3bsq s MET 100 CO -0.04 -0.16 0.07 -0.51 1.05 0.00 0.00 175.02 175.43 3bsq s LEU 101 N -0.73 3.99 -0.26 4.11 1.43 -0.06 -2.03 118.68 125.13 3bsq s LEU 101 Ca -0.08 0.29 0.03 0.00 -1.03 0.00 0.00 54.13 53.34 3bsq s LEU 101 Cb -0.04 -1.95 0.06 0.00 0.03 0.00 0.00 46.19 44.29 3bsq s LEU 101 CO 0.04 0.37 -0.11 -0.69 0.23 0.00 0.00 176.35 176.20 3bsq s VAL 102 N -0.83 2.09 -0.11 -1.59 1.01 1.99 -0.21 120.40 122.75 3bsq s VAL 102 Ca 0.13 -1.57 -0.30 0.00 0.00 0.00 0.00 61.98 60.24 3bsq s VAL 102 Cb -0.12 -2.21 -0.02 0.00 0.00 0.00 0.00 36.38 34.03 3bsq s VAL 102 CO 0.03 -0.03 1.21 -0.75 0.00 0.00 0.00 175.10 175.56 3bsq s LYS 103 N 1.14 4.30 0.34 2.72 2.20 -0.90 -2.35 119.74 127.18 3bsq s LYS 103 Ca -0.08 1.64 -0.26 0.00 -0.36 0.00 0.00 55.97 56.91 3bsq s LYS 103 Cb -0.20 -3.65 -0.10 0.00 -1.51 0.00 0.00 37.83 32.38 3bsq s LYS 103 CO -0.05 -0.56 0.97 -0.51 -0.36 0.00 0.00 175.35 174.84 3bsq s LEU 104 N 2.78 4.31 0.06 5.43 1.43 0.52 -4.13 118.68 129.08 3bsq s LEU 104 Ca 0.54 1.89 -0.23 0.00 -1.03 0.00 0.00 54.13 55.30 3bsq s LEU 104 Cb -0.23 -4.03 -0.16 0.00 0.03 0.00 0.00 46.19 41.80 3bsq s LEU 104 CO 0.18 -0.15 1.59 0.78 0.23 0.00 0.00 176.35 178.99 3bsq h ASN 105 N 3.07 0.04 -2.12 2.29 2.35 -1.09 -3.44 115.58 116.68 3bsq h ASN 105 Ca -0.47 -0.16 -0.59 0.00 -0.55 0.00 0.00 56.30 54.53 3bsq h ASN 105 Cb 1.20 -0.01 -0.12 0.00 0.05 0.00 0.00 38.32 39.43 3bsq h ASN 105 CO 0.65 0.19 -0.70 -0.94 -1.65 0.00 0.00 177.43 174.98 3bsq s SER 106 N -5.39 3.94 0.73 5.81 1.04 -1.26 -5.10 113.70 113.47 3bsq s SER 106 Ca -0.14 -0.96 -0.13 0.00 0.48 0.00 0.00 55.95 55.20 3bsq s SER 106 Cb 0.05 -0.48 0.04 0.00 0.10 0.00 0.00 66.02 65.73 3bsq s SER 106 CO 0.67 -0.05 1.13 -1.10 0.98 0.00 0.00 173.24 174.87 3bsq s GLN 107 N -3.60 2.32 -0.19 4.02 -0.21 -1.26 -4.89 119.66 115.86 3bsq s GLN 107 Ca 0.32 1.42 -0.09 0.00 0.02 0.00 0.00 55.36 57.03 3bsq s GLN 107 Cb -0.03 -1.89 -0.05 0.00 1.00 0.00 0.00 33.01 32.04 3bsq s GLN 107 CO 0.17 -1.63 0.11 0.00 -2.12 0.00 0.00 175.29 171.82 3bsq s ALA 108 N -2.45 3.61 -0.46 6.09 0.00 -0.94 -5.04 121.76 122.58 3bsq s ALA 108 Ca 0.67 -0.70 -0.28 0.00 0.00 0.00 0.00 51.96 51.64 3bsq s ALA 108 Cb -0.22 -2.07 0.00 0.00 0.00 0.00 0.00 23.12 20.83 3bsq s ALA 108 CO 0.48 0.20 1.54 0.50 0.00 0.00 0.00 175.76 178.48 3bsq s ARG 109 N 0.25 3.35 0.37 0.00 6.06 -1.26 -4.79 118.95 122.92 3bsq s ARG 109 Ca 0.07 0.87 -0.27 0.00 -2.50 0.00 0.00 55.73 53.90 3bsq s ARG 109 Cb -0.11 -4.13 -0.09 0.00 0.06 0.00 0.00 34.95 30.67 3bsq s ARG 109 CO -0.01 -1.85 1.29 -0.51 -2.50 0.00 0.00 175.30 171.72 3bsq s LEU 110 N 6.29 4.32 0.00 -0.88 1.43 -1.26 -4.79 118.68 123.79 3bsq s LEU 110 Ca 0.63 2.64 0.00 0.00 -1.03 0.00 0.00 54.13 56.37 3bsq s LEU 110 Cb -0.14 -3.79 0.00 0.00 0.03 0.00 0.00 46.19 42.29 3bsq s LEU 110 CO 0.29 -0.67 0.00 -1.54 0.23 0.00 0.00 176.35 174.66 3bsq n SER 111 N 0.46 0.00 0.11 2.29 3.41 -0.37 -4.92 113.62 114.60 3bsq n SER 111 Ca 0.02 -0.05 0.13 0.00 -0.26 0.00 0.00 58.87 58.71 3bsq n SER 111 Cb 0.43 0.00 0.41 0.00 -0.26 0.00 0.00 64.21 64.78 3bsq n SER 111 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 3bsq n SER 112 N -0.09 0.82 -0.19 4.04 3.41 -1.26 -3.01 113.62 117.33 3bsq n SER 112 Ca 0.00 0.58 0.08 0.00 -0.26 0.00 0.00 58.87 59.27 3bsq n SER 112 Cb 0.00 -0.80 -0.05 0.00 -0.26 0.00 0.00 64.21 63.10 3bsq n SER 112 CO 0.00 0.00 0.00 0.23 -0.16 0.00 0.00 175.04 175.11 3bsq n MET 113 N -2.26 1.56 -3.89 4.33 2.81 -1.26 -4.93 117.12 113.48 3bsq n MET 113 Ca 0.06 -0.41 -0.25 0.00 -1.81 0.00 0.00 57.70 55.29 3bsq n MET 113 Cb 0.43 -1.30 -0.17 0.00 -0.71 0.00 0.00 33.22 31.47 3bsq n MET 113 CO 0.00 0.00 0.00 0.08 1.51 0.00 0.00 175.97 177.56 3bsq s VAL 114 N -2.30 0.71 0.03 2.03 1.01 -1.16 -4.51 120.40 116.20 3bsq s VAL 114 Ca 0.10 -0.10 -0.08 0.00 0.00 0.00 0.00 61.98 61.90 3bsq s VAL 114 Cb 0.13 -0.78 0.00 0.00 0.00 0.00 0.00 36.38 35.73 3bsq s VAL 114 CO 0.56 0.31 0.17 -0.54 0.00 0.00 0.00 175.10 175.60 3bsq s LYS 115 N 1.73 0.64 0.40 2.72 1.02 -0.57 -1.23 119.74 124.45 3bsq s LYS 115 Ca 0.03 -0.63 -0.26 0.00 0.02 0.00 0.00 55.97 55.14 3bsq s LYS 115 Cb -0.13 0.26 -0.09 0.00 -0.52 0.00 0.00 37.83 37.36 3bsq s LYS 115 CO -0.06 -0.18 1.22 0.15 -0.92 0.00 0.00 175.35 175.57 3bsq s LYS 116 N -2.41 4.04 0.56 1.68 1.02 -1.26 -3.70 119.74 119.67 3bsq s LYS 116 Ca -0.06 1.97 -0.16 0.00 0.02 0.00 0.00 55.97 57.74 3bsq s LYS 116 Cb -0.02 -2.73 -0.05 0.00 -0.52 0.00 0.00 37.83 34.51 3bsq s LYS 116 CO -0.03 -0.37 1.03 0.14 -0.92 0.00 0.00 175.35 175.20 3bsq s VAL 117 N -1.34 4.07 -0.40 3.17 -7.23 0.07 -4.87 120.40 113.87 3bsq s VAL 117 Ca 0.57 0.99 -0.21 0.00 -1.81 0.00 0.00 61.98 61.51 3bsq s VAL 117 Cb -0.34 -3.51 0.01 0.00 0.56 0.00 0.00 36.38 33.11 3bsq s VAL 117 CO 0.43 -0.57 0.65 -0.60 -0.31 0.00 0.00 175.10 174.70 3bsq s ARG 118 N -4.08 3.47 0.50 4.82 3.52 -1.26 -4.90 118.95 121.01 3bsq s ARG 118 Ca 0.62 -0.16 -0.21 0.00 -0.13 0.00 0.00 55.73 55.85 3bsq s ARG 118 Cb -0.14 -3.89 -0.07 0.00 -1.56 0.00 0.00 34.95 29.30 3bsq s ARG 118 CO 0.35 -0.90 1.13 -0.51 -0.81 0.00 0.00 175.30 174.56 3bsq s LEU 119 N 2.81 3.89 0.51 -0.88 1.43 -1.26 -1.96 118.68 123.21 3bsq s LEU 119 Ca 0.24 2.19 -0.18 0.00 -1.03 0.00 0.00 54.13 55.35 3bsq s LEU 119 Cb -0.14 -4.42 -0.08 0.00 0.03 0.00 0.00 46.19 41.58 3bsq s LEU 119 CO 0.17 -1.01 1.00 -2.16 0.23 0.00 0.00 176.35 174.58 3bsq s PRO 120 N -3.00 3.87 -0.16 1.29 0.04 -1.26 -4.79 135.00 130.98 3bsq s PRO 120 Ca 0.68 1.11 0.16 0.00 0.04 0.00 0.00 61.00 62.98 3bsq s PRO 120 Cb -0.25 -2.12 -0.23 0.00 0.04 0.00 0.00 34.50 31.95 3bsq s PRO 120 CO 0.29 -0.35 0.09 0.43 0.04 0.00 0.00 177.00 177.51 3bsq n SER 121 N -1.35 0.61 -4.16 6.66 7.64 -1.26 -4.91 113.62 116.86 3bsq n SER 121 Ca 0.08 0.00 -0.23 0.00 1.01 0.00 0.00 58.87 59.72 3bsq n SER 121 Cb 0.54 1.01 -0.15 0.00 -1.01 0.00 0.00 64.21 64.60 3bsq n SER 121 CO 0.00 0.00 0.00 -0.60 -3.01 0.00 0.00 175.04 171.43 3bsq s ARG 122 N -2.50 1.26 -0.59 1.43 6.06 -1.26 -5.10 118.95 118.25 3bsq s ARG 122 Ca -0.09 -0.65 -0.28 0.00 -2.50 0.00 0.00 55.73 52.22 3bsq s ARG 122 Cb 0.06 -1.25 0.03 0.00 0.06 0.00 0.00 34.95 33.85 3bsq s ARG 122 CO 0.73 0.33 1.25 0.00 -2.50 0.00 0.00 175.30 175.12 3bsq n GLU 124 N 8.56 1.14 -1.80 0.00 4.07 -1.26 -4.96 120.64 126.38 3bsq n GLU 124 Ca 0.09 0.41 -0.31 0.00 -0.06 0.00 0.00 57.16 57.29 3bsq n GLU 124 Cb 0.49 -1.92 0.02 0.00 -0.06 0.00 0.00 31.44 29.97 3bsq n GLU 124 CO 0.00 0.00 0.00 -1.25 -0.06 0.00 0.00 177.13 175.82 3bsq s PRO 125 N -0.27 3.44 0.40 5.31 0.04 -1.26 -4.99 135.00 137.66 3bsq s PRO 125 Ca 0.75 0.80 -0.25 0.00 0.04 0.00 0.00 61.00 62.34 3bsq s PRO 125 Cb -0.87 -2.06 -0.11 0.00 0.04 0.00 0.00 34.50 31.50 3bsq s PRO 125 CO 0.52 -0.70 1.04 -2.30 0.04 0.00 0.00 177.00 175.60 3bsq n PRO 126 N -2.83 1.43 0.00 0.56 -0.02 -1.26 -2.84 135.00 130.03 3bsq n PRO 126 Ca 0.06 0.51 0.00 0.00 -2.02 0.00 0.00 63.50 62.05 3bsq n PRO 126 Cb 0.54 -2.05 0.00 0.00 -0.02 0.00 0.00 33.50 31.97 3bsq n PRO 126 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3bsq n GLY 127 N 1.15 3.43 3.75 -1.23 0.00 0.30 -4.96 105.19 107.63 3bsq n GLY 127 Ca 0.09 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.70 3bsq n GLY 127 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 3bsq s THR 128 N -2.98 2.95 0.42 2.61 -1.32 -1.13 -4.61 115.64 111.59 3bsq s THR 128 Ca 0.00 0.86 -0.24 0.00 -1.21 0.00 0.00 61.69 61.10 3bsq s THR 128 Cb 0.00 -3.55 -0.08 0.00 -1.51 0.00 0.00 72.50 67.36 3bsq s THR 128 CO 0.00 0.16 1.12 -0.89 -2.21 0.00 0.00 174.62 172.80 3bsq s THR 129 N -0.44 3.35 0.09 5.08 2.01 -1.26 -1.52 115.64 122.95 3bsq s THR 129 Ca 0.54 1.05 -0.15 0.00 0.31 0.00 0.00 61.69 63.44 3bsq s THR 129 Cb -0.38 -3.55 0.03 0.00 0.01 0.00 0.00 72.50 68.60 3bsq s THR 129 CO 0.44 0.02 0.36 0.00 -0.69 0.00 0.00 174.62 174.76 3bsq s THR 131 N -3.26 1.84 0.05 0.00 2.01 1.00 -0.43 115.64 116.84 3bsq s THR 131 Ca -0.00 -0.84 0.03 0.00 0.31 0.00 0.00 61.69 61.18 3bsq s THR 131 Cb 0.01 -1.65 -0.04 0.00 0.01 0.00 0.00 72.50 70.83 3bsq s THR 131 CO -0.08 0.51 0.02 0.54 -0.69 0.00 0.00 174.62 174.92 3bsq s VAL 132 N 0.95 4.22 0.03 3.82 0.11 -0.77 -3.78 120.40 124.98 3bsq s VAL 132 Ca -0.05 -0.75 -0.08 0.00 -2.93 0.00 0.00 61.98 58.16 3bsq s VAL 132 Cb -0.15 -2.96 -0.00 0.00 -1.53 0.00 0.00 36.38 31.74 3bsq s VAL 132 CO -0.03 0.24 0.16 -0.94 -3.33 0.00 0.00 175.10 171.19 3bsq s SER 133 N -1.99 0.07 0.00 3.54 1.04 -1.17 -2.05 113.70 113.14 3bsq s SER 133 Ca 0.24 -0.38 0.00 0.00 0.48 0.00 0.00 55.95 56.29 3bsq s SER 133 Cb -0.12 0.26 0.00 0.00 0.10 0.00 0.00 66.02 66.26 3bsq s SER 133 CO 0.16 -0.51 0.00 0.61 0.98 0.00 0.00 173.24 174.48 3bsq n GLY 134 N 0.86 -1.93 0.79 7.32 0.00 -0.57 -4.30 105.19 107.37 3bsq n GLY 134 Ca -0.20 -1.15 0.09 0.00 0.00 0.00 0.00 46.02 44.76 3bsq n GLY 134 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 3bsq n TRP 135 N 1.02 0.82 -1.38 1.61 8.01 -1.26 -1.07 117.44 125.19 3bsq n TRP 135 Ca 0.00 -0.91 -0.29 0.00 -1.31 0.00 0.00 57.50 54.99 3bsq n TRP 135 Cb 0.00 -0.30 0.18 0.00 -2.01 0.00 0.00 31.31 29.18 3bsq n TRP 135 CO 0.00 0.00 0.00 0.20 -1.01 0.00 0.00 177.69 176.88 3bsq s GLY 136 N -2.08 1.59 0.56 6.99 0.00 -1.26 -4.35 107.32 108.78 3bsq s GLY 136 Ca 0.41 -0.65 -0.18 0.00 0.00 0.00 0.00 44.72 44.29 3bsq s GLY 136 CO 0.08 0.02 0.57 -0.37 0.00 0.00 0.00 173.10 173.39 3bsq n THR 137 N -4.11 2.35 0.69 0.90 5.66 -0.65 -4.42 114.28 114.70 3bsq n THR 137 Ca 0.08 -0.50 0.08 0.00 -3.05 0.00 0.00 64.05 60.66 3bsq n THR 137 Cb 0.59 -0.72 0.04 0.00 -1.55 0.00 0.00 70.33 68.69 3bsq n THR 137 CO 0.00 0.00 0.00 0.35 -3.05 0.00 0.00 175.07 172.37 3bsq n THR 138 N -1.63 0.00 -4.03 1.09 -2.24 -0.72 -4.35 114.28 102.39 3bsq n THR 138 Ca 0.12 -0.44 -0.08 0.00 -2.27 0.00 0.00 64.05 61.38 3bsq n THR 138 Cb 0.47 1.28 -0.11 0.00 -2.10 0.00 0.00 70.33 69.87 3bsq n THR 138 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 3bsq s THR 139 N -1.57 0.19 -0.18 4.28 -4.23 -1.26 -4.43 115.64 108.43 3bsq s THR 139 Ca 0.17 -1.32 -0.16 0.00 -1.18 0.00 0.00 61.69 59.20 3bsq s THR 139 Cb 0.13 -0.84 0.05 0.00 1.34 0.00 0.00 72.50 73.18 3bsq s THR 139 CO 0.28 -0.72 0.48 -0.55 -0.54 0.00 0.00 174.62 173.58 3bsq s SER 140 N -2.12 -0.52 0.00 3.99 0.15 -1.26 -4.21 113.70 109.73 3bsq s SER 140 Ca -0.05 0.98 0.26 0.00 0.70 0.00 0.00 55.95 57.84 3bsq s SER 140 Cb -0.02 0.97 1.15 0.00 -1.71 0.00 0.00 66.02 66.42 3bsq s SER 140 CO -0.05 -0.17 1.85 -0.81 1.20 0.00 0.00 173.24 175.26 3bsq n PRO 141 N 3.01 0.05 -2.48 5.44 -0.04 -1.26 -4.81 135.00 134.91 3bsq n PRO 141 Ca -0.15 0.04 -0.43 0.00 -0.04 0.00 0.00 63.50 62.93 3bsq n PRO 141 Cb 0.57 -1.50 -0.02 0.00 -0.04 0.00 0.00 33.50 32.50 3bsq n PRO 141 CO 0.00 0.00 0.00 0.34 -0.04 0.00 0.00 175.50 175.80 3bsq s ASP 142 N -2.95 6.65 0.23 3.54 3.68 -1.26 -4.99 116.67 121.57 3bsq s ASP 142 Ca 0.14 0.97 -0.30 0.00 2.13 0.00 0.00 52.55 55.49 3bsq s ASP 142 Cb 0.17 -2.54 -0.10 0.00 -1.45 0.00 0.00 42.92 39.00 3bsq s ASP 142 CO 0.47 -1.14 1.44 0.54 0.13 0.00 0.00 175.17 176.61 3bsq s VAL 143 N 4.46 2.71 -0.26 1.11 0.11 -1.26 -4.14 120.40 123.13 3bsq s VAL 143 Ca 0.54 0.59 -0.01 0.00 -2.93 0.00 0.00 61.98 60.16 3bsq s VAL 143 Cb -0.13 -3.38 0.15 0.00 -1.53 0.00 0.00 36.38 31.49 3bsq s VAL 143 CO 0.25 0.09 0.40 0.42 -3.33 0.00 0.00 175.10 172.93 3bsq s THR 144 N 0.13 -0.64 -0.22 5.04 -4.23 -1.26 -4.95 115.64 109.50 3bsq s THR 144 Ca 0.60 -0.13 -0.20 0.00 -1.18 0.00 0.00 61.69 60.78 3bsq s THR 144 Cb -0.41 -0.88 -0.02 0.00 1.34 0.00 0.00 72.50 72.52 3bsq s THR 144 CO 0.42 -0.16 0.60 -0.36 -0.54 0.00 0.00 174.62 174.58 3bsq s PHE 145 N 2.57 3.34 0.57 3.99 0.40 -1.26 -1.76 117.98 125.83 3bsq s PHE 145 Ca 0.12 0.85 -0.15 0.00 -0.60 0.00 0.00 56.93 57.16 3bsq s PHE 145 Cb -0.15 -2.78 -0.06 0.00 0.51 0.00 0.00 43.02 40.55 3bsq s PHE 145 CO -0.20 -0.21 1.01 -1.25 0.70 0.00 0.00 175.22 175.27 3bsq s PRO 146 N 2.05 3.68 -0.04 0.24 0.04 -1.26 -4.99 135.00 134.72 3bsq s PRO 146 Ca 0.27 0.94 0.11 0.00 0.04 0.00 0.00 61.00 62.36 3bsq s PRO 146 Cb -0.16 -2.09 -0.23 0.00 0.04 0.00 0.00 34.50 32.06 3bsq s PRO 146 CO 0.10 -0.50 0.66 0.77 0.04 0.00 0.00 177.00 178.07 3bsq h SER 147 N 0.39 0.03 -3.46 6.66 0.02 -1.93 -3.47 113.55 111.78 3bsq h SER 147 Ca -0.46 -0.06 -0.54 0.00 -0.84 0.00 0.00 61.79 59.89 3bsq h SER 147 Cb 1.19 -0.01 -0.03 0.00 0.14 0.00 0.00 62.40 63.69 3bsq h SER 147 CO 0.61 1.06 0.04 -1.81 -1.14 0.00 0.00 176.83 175.59 3bsq s ASP 148 N -6.17 7.01 0.30 3.07 1.01 -1.26 -1.17 116.67 119.47 3bsq s ASP 148 Ca -0.06 1.32 -0.30 0.00 0.71 0.00 0.00 52.55 54.23 3bsq s ASP 148 Cb 0.08 -2.38 -0.11 0.00 1.01 0.00 0.00 42.92 41.52 3bsq s ASP 148 CO 0.82 0.09 1.54 -0.22 0.21 0.00 0.00 175.17 177.61 3bsq s LEU 149 N -1.83 4.35 0.22 1.23 2.96 0.17 -4.84 118.68 120.94 3bsq s LEU 149 Ca 0.40 2.92 0.10 0.00 -0.22 0.00 0.00 54.13 57.32 3bsq s LEU 149 Cb -0.17 -3.64 -0.04 0.00 0.50 0.00 0.00 46.19 42.84 3bsq s LEU 149 CO 0.21 -0.86 -0.15 -0.32 -1.32 0.00 0.00 176.35 173.91 3bsq s MET 150 N -0.86 1.86 -0.08 1.98 1.75 -0.24 -1.87 119.30 121.84 3bsq s MET 150 Ca 0.60 -1.48 -0.06 0.00 -1.25 0.00 0.00 55.69 53.50 3bsq s MET 150 Cb -0.46 -1.98 0.03 0.00 2.84 0.00 0.00 34.83 35.26 3bsq s MET 150 CO 0.50 0.39 0.21 0.00 -0.65 0.00 0.00 175.02 175.47 3bsq s VAL 152 N 0.55 0.10 0.00 0.00 0.11 -0.87 0.51 120.40 120.80 3bsq s VAL 152 Ca -0.04 -0.80 -0.02 0.00 -2.93 0.00 0.00 61.98 58.19 3bsq s VAL 152 Cb -0.05 -0.69 -0.04 0.00 -1.53 0.00 0.00 36.38 34.07 3bsq s VAL 152 CO -0.03 -0.44 0.19 -1.81 -3.33 0.00 0.00 175.10 169.68 3bsq s ASP 153 N -1.74 6.35 -0.13 3.54 1.11 -1.26 -1.85 116.67 122.69 3bsq s ASP 153 Ca -0.10 0.33 -0.23 0.00 0.18 0.00 0.00 52.55 52.73 3bsq s ASP 153 Cb -0.04 -1.99 0.06 0.00 1.07 0.00 0.00 42.92 42.02 3bsq s ASP 153 CO -0.01 0.24 0.57 0.54 1.18 0.00 0.00 175.17 177.70 3bsq s VAL 154 N -1.36 0.01 -0.05 -1.27 0.11 0.43 -4.87 120.40 113.40 3bsq s VAL 154 Ca 0.29 -0.08 -0.03 0.00 -2.93 0.00 0.00 61.98 59.23 3bsq s VAL 154 Cb -0.13 -0.85 -0.04 0.00 -1.53 0.00 0.00 36.38 33.84 3bsq s VAL 154 CO 0.20 -0.04 0.11 -0.54 -3.33 0.00 0.00 175.10 171.50 3bsq s LYS 155 N -0.42 3.23 0.29 1.54 -0.14 -0.27 0.35 119.74 124.31 3bsq s LYS 155 Ca -0.06 -0.35 -0.29 0.00 -1.36 0.00 0.00 55.97 53.91 3bsq s LYS 155 Cb -0.03 -2.98 -0.10 0.00 -1.68 0.00 0.00 37.83 33.04 3bsq s LYS 155 CO 0.04 0.69 1.32 -0.51 -0.76 0.00 0.00 175.35 176.13 3bsq s LEU 156 N -1.49 4.43 -0.11 3.17 1.43 -0.58 -0.67 118.68 124.86 3bsq s LEU 156 Ca 0.21 2.61 0.03 0.00 -1.03 0.00 0.00 54.13 55.94 3bsq s LEU 156 Cb -0.12 -3.64 -0.00 0.00 0.03 0.00 0.00 46.19 42.46 3bsq s LEU 156 CO 0.11 -0.54 -0.21 -0.63 0.23 0.00 0.00 176.35 175.31 3bsq s ILE 157 N -0.70 2.29 0.42 -0.59 1.01 -0.24 -0.54 121.20 122.85 3bsq s ILE 157 Ca 0.52 -0.93 -0.25 0.00 0.00 0.00 0.00 60.65 59.99 3bsq s ILE 157 Cb -0.39 -1.90 -0.10 0.00 0.01 0.00 0.00 42.46 40.07 3bsq s ILE 157 CO 0.48 0.55 1.12 -1.54 0.00 0.00 0.00 174.94 175.54 3bsq n SER 158 N 3.60 1.79 -0.29 3.58 3.41 -1.26 -4.34 113.62 120.11 3bsq n SER 158 Ca -0.19 1.07 0.10 0.00 -0.26 0.00 0.00 58.87 59.59 3bsq n SER 158 Cb 0.53 -1.41 0.25 0.00 -0.26 0.00 0.00 64.21 63.32 3bsq n SER 158 CO 0.00 0.00 0.00 -0.65 -0.16 0.00 0.00 175.04 174.23 3bsq h PRO 159 N 1.77 0.42 -0.24 4.33 0.11 -1.96 0.12 132.00 136.54 3bsq h PRO 159 Ca -0.46 -0.02 -0.04 0.00 0.11 0.00 0.00 66.00 65.58 3bsq h PRO 159 Cb 1.32 -0.09 -0.01 0.00 0.11 0.00 0.00 31.00 32.32 3bsq h PRO 159 CO 0.58 0.27 -0.05 0.37 -0.21 0.00 0.00 178.00 178.97 3bsq h GLN 160 N 0.43 0.37 0.02 1.05 4.15 -1.99 0.54 115.11 119.69 3bsq h GLN 160 Ca 0.50 -0.08 -0.06 0.00 0.77 0.00 0.00 58.65 59.78 3bsq h GLN 160 Cb 0.86 -0.05 0.01 0.00 0.21 0.00 0.00 27.48 28.50 3bsq h GLN 160 CO -0.48 0.44 -0.23 -0.44 -1.93 0.00 0.00 178.83 176.19 3bsq h ASP 161 N 0.35 0.16 -0.93 -0.69 3.32 -1.51 -3.34 116.42 113.78 3bsq h ASP 161 Ca 0.08 -0.89 -0.00 0.00 0.02 0.00 0.00 57.03 56.23 3bsq h ASP 161 Cb 0.32 -0.05 -0.04 0.00 0.22 0.00 0.00 39.33 39.77 3bsq h ASP 161 CO 0.01 1.04 0.57 0.00 -1.72 0.00 0.00 179.24 179.14 3bsq h THR 163 N 1.28 0.78 -0.02 0.00 1.03 -0.04 0.61 112.91 116.55 3bsq h THR 163 Ca 0.33 -0.11 0.01 0.00 -0.01 0.00 0.00 66.41 66.63 3bsq h THR 163 Cb -0.07 0.45 -0.00 0.00 -1.07 0.00 0.00 68.15 67.46 3bsq h THR 163 CO -0.06 0.06 0.25 0.11 -0.01 0.00 0.00 175.52 175.86 3bsq h LYS 164 N 0.31 0.00 0.18 0.00 1.79 -1.59 -2.61 116.57 114.65 3bsq h LYS 164 Ca 0.34 0.00 -0.25 0.00 -2.18 0.00 0.00 60.65 58.56 3bsq h LYS 164 Cb 0.88 0.00 0.03 0.00 -1.58 0.00 0.00 32.23 31.56 3bsq h LYS 164 CO -0.08 0.00 -1.08 0.28 -1.08 0.00 0.00 179.45 177.49 3bsq h VAL 165 N 0.00 1.42 0.00 0.50 2.07 0.09 -3.42 116.25 116.90 3bsq h VAL 165 Ca 0.01 -2.58 0.00 0.00 0.82 0.00 0.00 66.70 64.95 3bsq h VAL 165 Cb 0.51 3.11 0.00 0.00 -1.52 0.00 0.00 31.29 33.39 3bsq h VAL 165 CO -0.00 0.75 0.00 -1.22 0.02 0.00 0.00 177.57 177.12 3bsq n TYR 166 N -3.96 0.00 0.00 1.57 4.01 -1.22 -5.09 117.16 112.47 3bsq n TYR 166 Ca -0.15 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.59 3bsq n TYR 166 Cb 0.93 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.96 3bsq n TYR 166 CO 0.00 0.00 0.00 1.63 -0.46 0.00 0.00 176.86 178.03 3bsq n LYS 167 N 0.00 0.00 -0.31 -0.72 5.02 -0.99 -1.23 118.16 119.93 3bsq n LYS 167 Ca 0.00 0.00 -0.08 0.00 -2.02 0.00 0.00 58.31 56.21 3bsq n LYS 167 Cb 0.00 -0.15 -0.07 0.00 -0.02 0.00 0.00 35.03 34.78 3bsq n LYS 167 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 3bsq n ASP 168 N 0.00 -0.79 -0.23 4.39 8.00 -1.26 -3.48 116.55 123.17 3bsq n ASP 168 Ca 0.00 1.38 0.31 0.00 0.71 0.00 0.00 54.79 57.19 3bsq n ASP 168 Cb 0.00 -0.19 0.73 0.00 -0.02 0.00 0.00 41.12 41.64 3bsq n ASP 168 CO 0.00 0.00 0.00 -0.07 -0.39 0.00 0.00 177.20 176.74 3bsq h LEU 169 N 0.00 0.00 -9.93 0.64 3.38 -1.58 -3.42 115.31 104.41 3bsq h LEU 169 Ca 0.12 0.00 -0.49 0.00 0.09 0.00 0.00 57.88 57.60 3bsq h LEU 169 Cb 0.31 0.00 0.02 0.00 0.09 0.00 0.00 40.66 41.07 3bsq h LEU 169 CO -0.70 0.00 0.43 -0.76 0.09 0.00 0.00 178.44 177.49 3bsq s LEU 170 N -8.31 4.24 0.31 1.67 1.43 -1.20 -4.82 118.68 111.98 3bsq s LEU 170 Ca -0.05 2.09 0.07 0.00 -1.03 0.00 0.00 54.13 55.22 3bsq s LEU 170 Cb 0.22 -4.05 -0.06 0.00 0.03 0.00 0.00 46.19 42.32 3bsq s LEU 170 CO 0.77 -0.41 -0.06 -1.61 0.23 0.00 0.00 176.35 175.26 3bsq s GLU 171 N -2.25 1.67 0.14 1.70 0.41 -1.26 -5.03 118.70 114.07 3bsq s GLU 171 Ca 0.55 -1.86 0.15 0.00 -0.41 0.00 0.00 54.97 53.40 3bsq s GLU 171 Cb -0.24 -1.35 0.71 0.00 -1.78 0.00 0.00 34.13 31.46 3bsq s GLU 171 CO 0.31 0.06 1.48 0.27 -0.49 0.00 0.00 175.26 176.88 3bsq n ASN 172 N -0.68 0.31 -1.18 -0.19 0.23 -1.26 -1.17 115.26 111.32 3bsq n ASN 172 Ca -0.05 0.60 0.10 0.00 -0.53 0.00 0.00 54.58 54.71 3bsq n ASN 172 Cb 0.64 -0.66 0.28 0.00 -2.08 0.00 0.00 39.78 37.96 3bsq n ASN 172 CO 0.00 0.00 0.00 -1.54 -0.93 0.00 0.00 177.26 174.79 3bsq n SER 173 N -1.87 3.69 -4.83 0.53 3.41 -1.26 -4.92 113.62 108.36 3bsq n SER 173 Ca 0.01 -1.99 -0.29 0.00 -0.26 0.00 0.00 58.87 56.34 3bsq n SER 173 Cb 0.12 -0.41 -0.05 0.00 -0.26 0.00 0.00 64.21 63.61 3bsq n SER 173 CO 0.00 0.00 0.00 -0.04 -0.16 0.00 0.00 175.04 174.84 3bsq s MET 174 N -1.04 3.09 -0.02 4.33 -1.94 -0.32 -1.77 119.30 121.62 3bsq s MET 174 Ca 0.43 -0.64 0.05 0.00 -1.71 0.00 0.00 55.69 53.81 3bsq s MET 174 Cb 0.22 -2.82 -0.01 0.00 2.01 0.00 0.00 34.83 34.23 3bsq s MET 174 CO 0.29 0.56 -0.18 -1.17 -0.01 0.00 0.00 175.02 174.51 3bsq s LEU 175 N -2.62 2.01 -0.02 -0.03 2.96 0.46 -4.77 118.68 116.66 3bsq s LEU 175 Ca 0.32 -0.34 0.03 0.00 -0.22 0.00 0.00 54.13 53.91 3bsq s LEU 175 Cb -0.12 -0.97 -0.03 0.00 0.50 0.00 0.00 46.19 45.57 3bsq s LEU 175 CO 0.24 0.21 -0.10 0.00 -1.32 0.00 0.00 176.35 175.39 3bsq s ALA 177 N -0.88 -0.52 0.00 0.00 0.00 -0.82 -1.08 121.76 118.46 3bsq s ALA 177 Ca 0.14 0.45 0.00 0.00 0.00 0.00 0.00 51.96 52.56 3bsq s ALA 177 Cb -0.11 -0.24 0.00 0.00 0.00 0.00 0.00 23.12 22.78 3bsq s ALA 177 CO 0.04 -0.14 0.00 0.41 0.00 0.00 0.00 175.76 176.07 3bsq n GLY 178 N 2.53 -1.36 3.04 0.00 0.00 0.16 -3.51 105.19 106.06 3bsq n GLY 178 Ca -0.15 -0.97 -0.20 0.00 0.00 0.00 0.00 46.02 44.70 3bsq n GLY 178 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3bsq s ILE 179 N -2.81 0.83 0.00 -0.61 1.01 -1.26 -1.12 121.20 117.24 3bsq s ILE 179 Ca 0.00 -0.44 0.00 0.00 0.00 0.00 0.00 60.65 60.21 3bsq s ILE 179 Cb 0.00 -0.70 0.00 0.00 0.01 0.00 0.00 42.46 41.77 3bsq s ILE 179 CO 0.00 0.24 0.00 -2.65 0.00 0.00 0.00 174.94 172.53 3bsq n PRO 180 N 2.90 0.00 0.00 2.79 -0.02 -1.26 0.18 135.00 139.59 3bsq n PRO 180 Ca -0.14 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.34 3bsq n PRO 180 Cb 0.56 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 34.04 3bsq n PRO 180 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 3bsq n ASP 181 N 0.00 0.00 0.00 2.55 10.43 -1.26 -4.18 116.55 124.09 3bsq n ASP 181 Ca 0.00 0.00 0.00 0.00 2.57 0.00 0.00 54.79 57.36 3bsq n ASP 181 Cb 0.00 0.00 0.00 0.00 1.84 0.00 0.00 41.12 42.96 3bsq n ASP 181 CO 0.00 0.00 0.00 -1.20 -1.07 0.00 0.00 177.20 174.93 3bsq n SER 182 N 0.25 -0.16 -3.10 -2.24 7.64 0.48 -4.86 113.62 111.62 3bsq n SER 182 Ca 0.00 0.00 -0.19 0.00 1.01 0.00 0.00 58.87 59.69 3bsq n SER 182 Cb 0.00 0.00 -0.03 0.00 -1.01 0.00 0.00 64.21 63.17 3bsq n SER 182 CO 0.00 0.00 0.00 1.17 -3.01 0.00 0.00 175.04 173.20 3bsq n LYS 183 N 0.00 0.81 0.00 1.43 0.00 -1.26 -4.81 118.16 114.33 3bsq n LYS 183 Ca 0.00 -2.98 0.00 0.00 0.00 0.00 0.00 58.31 55.33 3bsq n LYS 183 Cb 0.00 -1.37 0.00 0.00 0.00 0.00 0.00 35.03 33.66 3bsq n LYS 183 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.40 179.03 3bsq n LYS 184 N 1.05 0.00 -1.83 1.64 4.76 -1.22 -4.68 118.16 117.88 3bsq n LYS 184 Ca 0.20 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.64 3bsq n LYS 184 Cb 0.59 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 33.78 3bsq n LYS 184 CO 0.00 0.00 0.00 0.27 -1.37 0.00 0.00 177.40 176.30 3bsq n ASN 185 N 0.00 0.00 -4.87 4.39 2.04 -1.11 -4.45 115.26 111.26 3bsq n ASN 185 Ca 0.00 0.00 -0.29 0.00 -0.44 0.00 0.00 54.58 53.85 3bsq n ASN 185 Cb 0.00 0.00 0.08 0.00 -2.53 0.00 0.00 39.78 37.33 3bsq n ASN 185 CO 0.00 0.00 0.00 0.00 -0.44 0.00 0.00 177.26 176.82 3bsq s ALA 186 N -1.00 2.57 0.14 -2.53 0.00 -1.26 0.49 121.76 120.17 3bsq s ALA 186 Ca 0.00 -0.49 -0.01 0.00 0.00 0.00 0.00 51.96 51.46 3bsq s ALA 186 Cb 0.00 -3.01 0.00 0.00 0.00 0.00 0.00 23.12 20.12 3bsq s ALA 186 CO 0.00 -1.59 0.20 0.00 0.00 0.00 0.00 175.76 174.37 3bsq n ASN 188 N -1.92 1.14 0.00 0.00 5.03 -1.26 -1.18 115.26 117.07 3bsq n ASN 188 Ca 0.00 1.13 0.00 0.00 0.87 0.00 0.00 54.58 56.58 3bsq n ASN 188 Cb 0.23 -1.08 0.00 0.00 -1.02 0.00 0.00 39.78 37.92 3bsq n ASN 188 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 3bsq n GLY 189 N 2.43 1.34 0.09 7.41 0.00 -1.26 -1.64 105.19 113.55 3bsq n GLY 189 Ca 0.20 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.34 3bsq n GLY 189 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 3bsq h ASP 190 N 0.00 0.00 -1.07 1.61 3.32 -1.48 -3.31 116.42 115.49 3bsq h ASP 190 Ca 0.00 -0.14 -0.81 0.00 0.02 0.00 0.00 57.03 56.10 3bsq h ASP 190 Cb 0.00 0.00 0.04 0.00 0.22 0.00 0.00 39.33 39.59 3bsq h ASP 190 CO 0.00 0.07 0.32 -1.20 -1.72 0.00 0.00 179.24 176.71 3bsq n SER 191 N -2.32 0.58 0.00 6.45 7.64 -1.26 -0.85 113.62 123.87 3bsq n SER 191 Ca 0.03 1.16 0.00 0.00 1.01 0.00 0.00 58.87 61.07 3bsq n SER 191 Cb 0.47 -0.93 0.00 0.00 -1.01 0.00 0.00 64.21 62.74 3bsq n SER 191 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3bsq n GLY 192 N 2.47 0.88 3.80 0.23 0.00 0.32 -0.99 105.19 111.90 3bsq n GLY 192 Ca 0.24 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.93 3bsq n GLY 192 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3bsq s GLY 193 N -1.59 2.22 0.79 -0.02 0.00 -0.02 -2.94 107.32 105.75 3bsq s GLY 193 Ca 0.00 0.47 -0.11 0.00 0.00 0.00 0.00 44.72 45.08 3bsq s GLY 193 CO 0.00 0.80 1.11 2.56 0.00 0.00 0.00 173.10 177.57 3bsq s PRO 194 N -3.91 2.05 -0.30 2.90 0.04 -1.26 -1.61 135.00 132.91 3bsq s PRO 194 Ca 0.65 1.31 -0.13 0.00 0.04 0.00 0.00 61.00 62.87 3bsq s PRO 194 Cb -0.17 -1.86 0.18 0.00 0.04 0.00 0.00 34.50 32.69 3bsq s PRO 194 CO 0.35 -1.82 1.10 -1.17 0.04 0.00 0.00 177.00 175.49 3bsq s LEU 195 N -5.89 -0.28 0.00 -3.56 1.98 -1.09 -3.02 118.68 106.82 3bsq s LEU 195 Ca 0.64 0.03 0.00 0.00 -2.89 0.00 0.00 54.13 51.91 3bsq s LEU 195 Cb -0.19 1.18 0.00 0.00 0.66 0.00 0.00 46.19 47.84 3bsq s LEU 195 CO 0.54 -0.05 0.00 0.52 -1.89 0.00 0.00 176.35 175.47 3bsq n VAL 196 N 5.08 -1.03 -4.81 1.68 0.31 -1.16 0.87 118.33 119.26 3bsq n VAL 196 Ca 0.10 0.00 -0.27 0.00 -0.01 0.00 0.00 64.34 64.16 3bsq n VAL 196 Cb 0.58 -2.27 -0.17 0.00 -0.91 0.00 0.00 33.84 31.07 3bsq n VAL 196 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3bsq n ARG 198 N 3.67 -0.68 0.00 0.00 1.74 -1.26 -4.25 116.66 115.89 3bsq n ARG 198 Ca -0.21 -0.30 0.00 0.00 -0.77 0.00 0.00 57.85 56.57 3bsq n ARG 198 Cb 0.52 0.41 0.00 0.00 -1.02 0.00 0.00 32.46 32.38 3bsq n ARG 198 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3bsq n GLY 199 N -0.85 -1.62 0.00 -0.13 0.00 -1.26 -5.04 105.19 96.30 3bsq n GLY 199 Ca -0.01 0.62 0.00 0.00 0.00 0.00 0.00 46.02 46.63 3bsq n GLY 199 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 3bsq n THR 200 N 0.00 0.00 -3.03 2.61 -1.04 -1.25 -4.80 114.28 106.78 3bsq n THR 200 Ca 0.00 0.00 -0.43 0.00 -2.04 0.00 0.00 64.05 61.58 3bsq n THR 200 Cb 0.00 0.00 -0.06 0.00 -1.82 0.00 0.00 70.33 68.45 3bsq n THR 200 CO 0.00 0.00 0.00 -0.22 -0.64 0.00 0.00 175.07 174.21 3bsq s LEU 201 N 0.00 4.42 -0.02 -4.42 2.96 -0.83 -1.51 118.68 119.28 3bsq s LEU 201 Ca 0.00 -0.34 0.17 0.00 -0.22 0.00 0.00 54.13 53.73 3bsq s LEU 201 Cb 0.00 -2.78 -0.20 0.00 0.50 0.00 0.00 46.19 43.71 3bsq s LEU 201 CO 0.00 -0.91 0.60 0.00 -1.32 0.00 0.00 176.35 174.72 3bsq n GLN 202 N 6.58 0.64 -3.75 1.98 1.13 -0.52 -4.12 117.38 119.31 3bsq n GLN 202 Ca -0.00 0.15 -0.10 0.00 -1.94 0.00 0.00 57.00 55.11 3bsq n GLN 202 Cb 0.48 -1.72 -0.04 0.00 0.11 0.00 0.00 30.24 29.07 3bsq n GLN 202 CO 0.00 0.00 0.00 0.20 -1.44 0.00 0.00 177.06 175.82 3bsq s GLY 203 N -4.98 -0.05 -0.03 1.08 0.00 0.25 -1.63 107.32 101.96 3bsq s GLY 203 Ca -0.05 -0.27 0.06 0.00 0.00 0.00 0.00 44.72 44.47 3bsq s GLY 203 CO 0.83 -0.29 -0.22 1.08 0.00 0.00 0.00 173.10 174.49 3bsq s LEU 204 N -2.88 2.03 0.19 0.66 1.43 -0.93 -2.68 118.68 116.50 3bsq s LEU 204 Ca 0.10 -0.42 -0.31 0.00 -1.03 0.00 0.00 54.13 52.47 3bsq s LEU 204 Cb -0.01 -1.17 -0.10 0.00 0.03 0.00 0.00 46.19 44.94 3bsq s LEU 204 CO -0.02 0.25 1.50 0.54 0.23 0.00 0.00 176.35 178.84 3bsq s VAL 205 N -0.36 2.72 0.00 -1.59 0.11 -0.64 -1.89 120.40 118.76 3bsq s VAL 205 Ca 0.04 0.55 0.00 0.00 -2.93 0.00 0.00 61.98 59.64 3bsq s VAL 205 Cb -0.10 -3.35 0.00 0.00 -1.53 0.00 0.00 36.38 31.40 3bsq s VAL 205 CO 0.01 0.06 0.00 -0.24 -3.33 0.00 0.00 175.10 171.60 3bsq n SER 206 N 3.34 3.85 0.00 3.54 2.88 -0.18 -0.52 113.62 126.53 3bsq n SER 206 Ca 0.11 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.65 3bsq n SER 206 Cb 0.40 0.10 0.00 0.00 -0.75 0.00 0.00 64.21 63.96 3bsq n SER 206 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 3bsq n GLY 208 N 3.20 1.03 3.96 0.46 0.00 -1.26 -4.89 105.19 107.68 3bsq n GLY 208 Ca 0.00 -0.42 -0.23 0.00 0.00 0.00 0.00 46.02 45.37 3bsq n GLY 208 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3bsq s THR 209 N -1.49 3.20 -0.07 2.61 -4.23 -1.26 -5.03 115.64 109.37 3bsq s THR 209 Ca 0.00 -0.51 -0.02 0.00 -1.18 0.00 0.00 61.69 59.98 3bsq s THR 209 Cb 0.00 -3.21 0.03 0.00 1.34 0.00 0.00 72.50 70.66 3bsq s THR 209 CO 0.00 -0.16 0.03 0.12 -0.54 0.00 0.00 174.62 174.06 3bsq s PHE 210 N -2.75 0.47 0.54 3.99 5.36 -1.26 -2.95 117.98 121.38 3bsq s PHE 210 Ca 0.54 -0.08 -0.21 0.00 -0.96 0.00 0.00 56.93 56.22 3bsq s PHE 210 Cb -0.10 -0.71 -0.05 0.00 -0.34 0.00 0.00 43.02 41.82 3bsq s PHE 210 CO 0.39 -0.31 1.22 -1.25 -1.46 0.00 0.00 175.22 173.81 3bsq s PRO 211 N 2.04 3.26 0.40 10.12 0.04 -1.26 -5.11 135.00 144.49 3bsq s PRO 211 Ca 0.04 1.88 -0.27 0.00 0.04 0.00 0.00 61.00 62.69 3bsq s PRO 211 Cb -0.13 -2.13 -0.10 0.00 0.04 0.00 0.00 34.50 32.18 3bsq s PRO 211 CO -0.05 -0.99 1.46 0.00 0.04 0.00 0.00 177.00 177.46 3bsq s GLY 213 N -0.24 2.76 0.00 0.00 0.00 -1.26 -4.73 107.32 103.85 3bsq s GLY 213 Ca 0.56 0.64 0.00 0.00 0.00 0.00 0.00 44.72 45.91 3bsq s GLY 213 CO 0.62 1.07 0.00 -1.06 0.00 0.00 0.00 173.10 173.73 3bsq n GLN 214 N 0.20 1.72 -2.30 2.90 6.02 -1.26 -4.10 117.38 120.56 3bsq n GLN 214 Ca 0.04 0.00 -0.41 0.00 -0.01 0.00 0.00 57.00 56.62 3bsq n GLN 214 Cb 0.50 0.00 -0.03 0.00 1.02 0.00 0.00 30.24 31.72 3bsq n GLN 214 CO 0.00 0.00 0.00 -2.14 -1.01 0.00 0.00 177.06 173.91 3bsq s PRO 215 N -0.60 4.48 0.00 -1.09 0.02 -1.26 -3.02 135.00 133.54 3bsq s PRO 215 Ca 0.00 1.98 0.00 0.00 0.02 0.00 0.00 61.00 63.00 3bsq s PRO 215 Cb 0.00 -3.17 0.00 0.00 0.02 0.00 0.00 34.50 31.35 3bsq s PRO 215 CO 0.00 -0.06 0.00 0.09 -0.33 0.00 0.00 177.00 176.70 3bsq n ASN 216 N 1.69 -2.94 -4.13 2.53 4.13 -1.26 -4.83 115.26 110.45 3bsq n ASN 216 Ca 0.02 0.00 -0.34 0.00 1.68 0.00 0.00 54.58 55.94 3bsq n ASN 216 Cb 0.44 -0.49 -0.14 0.00 -1.54 0.00 0.00 39.78 38.05 3bsq n ASN 216 CO 0.00 0.00 0.00 -1.81 0.28 0.00 0.00 177.26 175.73 3bsq s ASP 217 N -2.59 4.83 0.92 6.41 1.01 -1.17 -4.99 116.67 121.11 3bsq s ASP 217 Ca 0.00 -1.44 -0.10 0.00 0.71 0.00 0.00 52.55 51.71 3bsq s ASP 217 Cb 0.00 -1.69 0.15 0.00 1.01 0.00 0.00 42.92 42.39 3bsq s ASP 217 CO 0.00 -0.28 1.13 -2.84 0.21 0.00 0.00 175.17 173.39 3bsq s PRO 218 N 1.18 0.97 -0.19 8.23 0.02 -1.26 -4.80 135.00 139.15 3bsq s PRO 218 Ca -0.03 1.44 -0.04 0.00 0.02 0.00 0.00 61.00 62.38 3bsq s PRO 218 Cb -0.20 -1.73 0.02 0.00 0.02 0.00 0.00 34.50 32.61 3bsq s PRO 218 CO -0.03 -2.63 0.09 0.41 -0.33 0.00 0.00 177.00 174.51 3bsq n GLY 219 N 0.10 -4.32 3.09 0.52 0.00 -1.23 -4.64 105.19 98.71 3bsq n GLY 219 Ca 0.11 0.75 -0.12 0.00 0.00 0.00 0.00 46.02 46.76 3bsq n GLY 219 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3bsq s VAL 220 N -0.90 0.03 0.00 1.61 1.01 -1.26 -1.95 120.40 118.95 3bsq s VAL 220 Ca -0.10 -0.22 0.00 0.00 0.00 0.00 0.00 61.98 61.65 3bsq s VAL 220 Cb 0.01 -0.34 0.00 0.00 0.00 0.00 0.00 36.38 36.05 3bsq s VAL 220 CO 0.60 -0.12 0.00 -1.22 0.00 0.00 0.00 175.10 174.36 3bsq n TYR 221 N 2.45 0.00 -2.48 5.22 4.02 -1.13 -1.01 117.16 124.24 3bsq n TYR 221 Ca -0.16 0.00 -0.43 0.00 -0.01 0.00 0.00 57.90 57.30 3bsq n TYR 221 Cb 0.58 0.00 -0.02 0.00 -0.02 0.00 0.00 39.34 39.87 3bsq n TYR 221 CO 0.00 0.00 0.00 0.99 -1.01 0.00 0.00 176.86 176.84 3bsq s THR 222 N 0.00 4.27 -0.79 -0.72 2.01 -0.79 0.17 115.64 119.79 3bsq s THR 222 Ca 0.00 1.47 -0.25 0.00 0.31 0.00 0.00 61.69 63.21 3bsq s THR 222 Cb 0.00 -4.19 -0.06 0.00 0.01 0.00 0.00 72.50 68.26 3bsq s THR 222 CO 0.00 -0.40 2.05 -1.10 -0.69 0.00 0.00 174.62 174.49 3bsq s GLN 223 N 3.88 2.35 0.33 4.92 -0.21 -0.73 -2.18 119.66 128.02 3bsq s GLN 223 Ca 0.53 0.17 0.07 0.00 0.02 0.00 0.00 55.36 56.15 3bsq s GLN 223 Cb -0.17 -4.83 0.75 0.00 1.00 0.00 0.00 33.01 29.76 3bsq s GLN 223 CO 0.19 -3.44 1.84 0.28 -2.12 0.00 0.00 175.29 172.04 3bsq h VAL 224 N 7.30 0.83 -1.33 1.09 2.07 -1.58 -0.26 116.25 124.37 3bsq h VAL 224 Ca -0.02 -0.26 0.39 0.00 0.82 0.00 0.00 66.70 67.62 3bsq h VAL 224 Cb 1.06 -0.01 -0.05 0.00 -1.52 0.00 0.00 31.29 30.76 3bsq h VAL 224 CO 1.17 0.14 1.25 0.00 0.02 0.00 0.00 177.57 180.15 3bsq n LYS 226 N -3.41 2.74 0.00 0.00 5.02 -0.11 -4.54 118.16 117.87 3bsq n LYS 226 Ca 0.30 -2.10 0.00 0.00 -2.02 0.00 0.00 58.31 54.49 3bsq n LYS 226 Cb 1.65 -1.31 0.00 0.00 -0.02 0.00 0.00 35.03 35.35 3bsq n LYS 226 CO 0.00 0.00 0.00 1.19 -0.52 0.00 0.00 177.40 178.07 3bsq n PHE 227 N 0.69 0.00 -0.22 2.13 3.72 0.16 -4.79 117.46 119.15 3bsq n PHE 227 Ca 0.13 0.00 0.23 0.00 -0.05 0.00 0.00 57.45 57.76 3bsq n PHE 227 Cb 0.45 0.00 0.59 0.00 -0.94 0.00 0.00 39.48 39.58 3bsq n PHE 227 CO 0.00 0.00 0.00 1.79 -0.05 0.00 0.00 176.76 178.50 3bsq h THR 228 N 0.30 0.62 0.86 4.37 1.35 -1.79 0.15 112.91 118.78 3bsq h THR 228 Ca 0.00 -0.08 -0.04 0.00 -0.55 0.00 0.00 66.41 65.73 3bsq h THR 228 Cb 0.15 0.35 0.01 0.00 -1.73 0.00 0.00 68.15 66.93 3bsq h THR 228 CO 0.00 0.04 -0.41 0.50 -0.25 0.00 0.00 175.52 175.40 3bsq h LYS 229 N 0.24 -1.12 -0.65 4.72 1.63 -1.93 -2.75 116.57 116.72 3bsq h LYS 229 Ca 0.46 0.08 0.11 0.00 -0.85 0.00 0.00 60.65 60.44 3bsq h LYS 229 Cb 1.39 0.25 -0.08 0.00 -0.60 0.00 0.00 32.23 33.20 3bsq h LYS 229 CO -0.12 -0.74 0.24 2.35 -3.45 0.00 0.00 179.45 177.73 3bsq h TRP 230 N -1.29 0.41 -0.05 1.91 7.01 -1.59 -1.59 115.95 120.76 3bsq h TRP 230 Ca -0.12 0.03 0.01 0.00 2.11 0.00 0.00 58.89 60.92 3bsq h TRP 230 Cb 0.89 -0.09 -0.02 0.00 -2.10 0.00 0.00 29.16 27.85 3bsq h TRP 230 CO -0.00 0.08 -0.16 0.82 -2.79 0.00 0.00 178.44 176.39 3bsq h ILE 231 N 0.41 0.00 0.00 2.65 2.04 -0.65 0.52 117.51 122.48 3bsq h ILE 231 Ca 0.34 0.00 0.00 0.00 1.00 0.00 0.00 64.86 66.20 3bsq h ILE 231 Cb 0.45 0.00 0.00 0.00 -0.74 0.00 0.00 36.82 36.53 3bsq h ILE 231 CO -0.34 0.00 0.00 -0.55 0.00 0.00 0.00 178.15 177.26 3bsq h ASN 232 N -0.16 0.00 -0.31 1.72 -1.07 -1.45 -1.44 115.58 112.87 3bsq h ASN 232 Ca 0.01 0.00 -0.02 0.00 0.07 0.00 0.00 56.30 56.36 3bsq h ASN 232 Cb 0.19 0.00 -0.01 0.00 -2.07 0.00 0.00 38.32 36.43 3bsq h ASN 232 CO -0.13 0.00 0.11 0.44 0.07 0.00 0.00 177.43 177.91 3bsq h ASP 233 N 0.00 0.44 0.06 6.14 3.45 -0.76 -3.15 116.42 122.60 3bsq h ASP 233 Ca 0.00 -0.19 -0.01 0.00 0.43 0.00 0.00 57.03 57.26 3bsq h ASP 233 Cb 0.69 -0.12 -0.00 0.00 -0.56 0.00 0.00 39.33 39.34 3bsq h ASP 233 CO 0.00 0.52 -0.03 0.74 -1.57 0.00 0.00 179.24 178.89 3bsq h THR 234 N 0.35 0.75 -3.07 0.35 2.02 0.11 -2.90 112.91 110.52 3bsq h THR 234 Ca 0.10 -0.12 -0.70 0.00 0.77 0.00 0.00 66.41 66.46 3bsq h THR 234 Cb 0.22 1.07 -0.20 0.00 -1.74 0.00 0.00 68.15 67.51 3bsq h THR 234 CO -0.01 0.03 0.02 0.00 0.37 0.00 0.00 175.52 175.94 3bsq s MET 235 N -4.74 3.06 0.15 6.66 0.00 -1.13 -3.85 119.30 119.45 3bsq s MET 235 Ca -0.05 -1.21 0.08 0.00 0.00 0.00 0.00 55.69 54.51 3bsq s MET 235 Cb 0.16 -4.20 -0.04 0.00 0.00 0.00 0.00 34.83 30.74 3bsq s MET 235 CO 0.61 -1.37 -0.06 -1.59 0.00 0.00 0.00 175.02 172.61 3bsq s LYS 236 N 2.48 2.23 0.00 3.16 0.00 -1.10 -4.83 119.74 121.69 3bsq s LYS 236 Ca 0.11 -1.11 0.00 0.00 0.00 0.00 0.00 55.97 54.97 3bsq s LYS 236 Cb -0.23 -2.30 0.00 0.00 0.00 0.00 0.00 37.83 35.30 3bsq s LYS 236 CO 0.08 0.47 0.00 0.72 0.00 0.00 0.00 175.35 176.62