#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1bui n SER 16 N 0.00 2.39 -3.90 0.00 7.64 -1.26 -4.90 113.62 113.59 1bui n SER 16 Ca 0.00 -3.16 -0.28 0.00 1.01 0.00 0.00 58.87 56.44 1bui n SER 16 Cb 0.00 -0.66 -0.12 0.00 -1.01 0.00 0.00 64.21 62.42 1bui n SER 16 CO 0.00 0.00 0.00 -0.31 -3.01 0.00 0.00 175.04 171.72 1bui s TYR 17 N -2.02 3.58 0.90 1.43 4.12 -1.26 -5.08 117.35 119.02 1bui s TYR 17 Ca 0.38 -3.34 -0.16 0.00 0.02 0.00 0.00 57.07 53.97 1bui s TYR 17 Cb 0.16 -2.71 -0.14 0.00 -1.52 0.00 0.00 41.96 37.76 1bui s TYR 17 CO -0.05 -0.54 -0.72 1.19 0.02 0.00 0.00 175.55 175.45 1bui n PHE 18 N 1.96 -4.75 -3.96 2.71 3.72 -1.26 -5.12 117.46 110.76 1bui n PHE 18 Ca 0.20 -0.02 -0.09 0.00 -0.05 0.00 0.00 57.45 57.49 1bui n PHE 18 Cb 0.35 -1.33 -0.07 0.00 -0.94 0.00 0.00 39.48 37.49 1bui n PHE 18 CO 0.00 0.00 0.00 -1.21 -0.05 0.00 0.00 176.76 175.50 1bui s GLU 19 N -1.80 1.06 0.18 -1.08 2.02 -1.26 -5.13 118.70 112.69 1bui s GLU 19 Ca 0.38 -1.16 -0.33 0.00 0.02 0.00 0.00 54.97 53.88 1bui s GLU 19 Cb -0.18 0.35 -0.14 0.00 0.10 0.00 0.00 34.13 34.26 1bui s GLU 19 CO 0.76 -0.37 1.44 -2.30 0.02 0.00 0.00 175.26 174.81 1bui n PRO 20 N -0.17 1.85 0.08 0.39 -0.02 -1.26 -4.88 135.00 131.00 1bui n PRO 20 Ca -0.09 0.66 -0.08 0.00 -2.02 0.00 0.00 63.50 61.98 1bui n PRO 20 Cb 0.63 -2.35 -0.06 0.00 -0.02 0.00 0.00 33.50 31.70 1bui n PRO 20 CO 0.00 0.00 0.00 1.79 1.98 0.00 0.00 175.50 179.27 1bui h THR 21 N 3.27 1.61 -3.72 3.45 1.35 -1.95 -3.45 112.91 113.48 1bui h THR 21 Ca -0.45 -3.04 0.00 0.00 -0.55 0.00 0.00 66.41 62.37 1bui h THR 21 Cb 1.28 2.69 0.00 0.00 -1.73 0.00 0.00 68.15 70.39 1bui h THR 21 CO 0.80 0.87 0.00 0.61 -0.25 0.00 0.00 175.52 177.56 1bui n GLY 22 N 1.12 4.79 3.77 5.82 0.00 -1.26 -4.26 105.19 115.17 1bui n GLY 22 Ca -0.02 -2.15 -0.41 0.00 0.00 0.00 0.00 46.02 43.44 1bui n GLY 22 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 1bui s PRO 23 N -1.07 4.30 0.01 1.61 0.02 -1.26 -4.48 135.00 134.14 1bui s PRO 23 Ca 0.00 2.28 -0.02 0.00 0.02 0.00 0.00 61.00 63.28 1bui s PRO 23 Cb 0.00 -3.06 -0.01 0.00 0.02 0.00 0.00 34.50 31.45 1bui s PRO 23 CO 0.00 -0.28 0.02 1.52 -0.33 0.00 0.00 177.00 177.94 1bui s TYR 24 N -0.97 0.15 0.00 6.54 1.13 -1.03 -2.58 117.35 120.60 1bui s TYR 24 Ca 0.51 -0.32 -0.12 0.00 -1.41 0.00 0.00 57.07 55.73 1bui s TYR 24 Cb -0.41 -0.12 -0.05 0.00 -1.10 0.00 0.00 41.96 40.28 1bui s TYR 24 CO 0.53 -0.18 0.36 -1.17 -2.51 0.00 0.00 175.55 172.58 1bui s LEU 25 N -1.18 4.42 -0.27 -3.49 2.96 0.42 -1.07 118.68 120.47 1bui s LEU 25 Ca -0.13 0.83 0.01 0.00 -0.22 0.00 0.00 54.13 54.62 1bui s LEU 25 Cb -0.08 -2.62 0.07 0.00 0.50 0.00 0.00 46.19 44.06 1bui s LEU 25 CO -0.00 0.29 -0.01 -0.32 -1.32 0.00 0.00 176.35 174.99 1bui s MET 26 N -1.33 1.50 -0.61 1.98 -2.45 -1.22 0.12 119.30 117.29 1bui s MET 26 Ca 0.25 -1.23 -0.22 0.00 -1.25 0.00 0.00 55.69 53.24 1bui s MET 26 Cb -0.15 -2.66 0.06 0.00 1.25 0.00 0.00 34.83 33.33 1bui s MET 26 CO 0.13 -0.73 0.91 0.08 1.05 0.00 0.00 175.02 176.47 1bui s VAL 27 N 1.30 4.42 -0.56 10.11 1.01 0.15 -1.95 120.40 134.87 1bui s VAL 27 Ca -0.00 -0.23 0.04 0.00 0.00 0.00 0.00 61.98 61.79 1bui s VAL 27 Cb -0.19 -4.60 0.14 0.00 0.00 0.00 0.00 36.38 31.74 1bui s VAL 27 CO -0.09 -1.28 0.33 0.21 0.00 0.00 0.00 175.10 174.27 1bui s ASN 28 N 3.35 4.29 -0.04 3.32 2.47 -0.67 -2.15 114.94 125.51 1bui s ASN 28 Ca 0.23 -3.23 0.05 0.00 0.42 0.00 0.00 52.86 50.33 1bui s ASN 28 Cb -0.16 -1.52 -0.01 0.00 -1.45 0.00 0.00 41.25 38.11 1bui s ASN 28 CO 0.13 -0.19 -0.18 0.68 -3.72 0.00 0.00 177.10 173.81 1bui s VAL 29 N -0.56 1.52 -0.56 -5.21 -7.23 -1.26 -3.62 120.40 103.48 1bui s VAL 29 Ca 0.20 -0.77 -0.21 0.00 -1.81 0.00 0.00 61.98 59.39 1bui s VAL 29 Cb -0.18 -1.30 0.07 0.00 0.56 0.00 0.00 36.38 35.52 1bui s VAL 29 CO -0.06 0.44 0.77 -0.89 -0.31 0.00 0.00 175.10 175.05 1bui s THR 30 N -0.03 4.66 -0.61 5.32 2.01 -1.08 -4.29 115.64 121.62 1bui s THR 30 Ca -0.03 -0.43 -0.27 0.00 0.31 0.00 0.00 61.69 61.27 1bui s THR 30 Cb -0.11 -4.47 -0.00 0.00 0.01 0.00 0.00 72.50 67.93 1bui s THR 30 CO 0.02 -1.07 1.61 -0.83 -0.69 0.00 0.00 174.62 173.66 1bui s GLY 31 N 3.13 0.57 0.57 4.40 0.00 0.68 -2.60 107.32 114.06 1bui s GLY 31 Ca 0.19 -0.77 0.06 0.00 0.00 0.00 0.00 44.72 44.20 1bui s GLY 31 CO 0.12 3.07 0.51 3.33 0.00 0.00 0.00 173.10 180.13 1bui n VAL 32 N 6.94 0.00 -0.76 1.40 0.24 -0.53 -0.26 118.33 125.37 1bui n VAL 32 Ca 0.14 -2.17 0.00 0.00 -2.04 0.00 0.00 64.34 60.27 1bui n VAL 32 Cb 0.50 -0.12 0.00 0.00 -1.47 0.00 0.00 33.84 32.75 1bui n VAL 32 CO 0.00 0.00 0.00 -0.90 -2.14 0.00 0.00 176.83 173.79 1bui n ASP 33 N -1.93 0.00 0.00 -1.34 5.68 0.33 -1.72 116.55 117.56 1bui n ASP 33 Ca 0.02 0.00 -0.14 0.00 -0.50 0.00 0.00 54.79 54.17 1bui n ASP 33 Cb 0.63 0.00 -0.14 0.00 -1.14 0.00 0.00 41.12 40.47 1bui n ASP 33 CO 0.00 0.00 0.00 0.28 -1.33 0.00 0.00 177.20 176.15 1bui h SER 34 N 0.00 0.18 -0.07 -1.12 0.02 -1.87 -3.26 113.55 107.42 1bui h SER 34 Ca 0.00 -0.37 -0.01 0.00 -0.84 0.00 0.00 61.79 60.57 1bui h SER 34 Cb 0.00 -0.06 -0.01 0.00 0.14 0.00 0.00 62.40 62.47 1bui h SER 34 CO 0.00 1.33 0.01 0.29 -1.14 0.00 0.00 176.83 177.32 1bui n LYS 35 N -3.25 1.38 0.00 3.45 4.01 -1.26 -4.84 118.16 117.65 1bui n LYS 35 Ca -0.21 -0.35 0.00 0.00 -0.51 0.00 0.00 58.31 57.24 1bui n LYS 35 Cb 1.05 -1.50 0.00 0.00 -0.51 0.00 0.00 35.03 34.07 1bui n LYS 35 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 1bui n GLY 36 N 0.12 2.67 3.61 0.72 0.00 -1.23 -4.98 105.19 106.09 1bui n GLY 36 Ca 0.04 0.00 -0.54 0.00 0.00 0.00 0.00 46.02 45.52 1bui n GLY 36 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1bui n ASN 37 N 0.68 1.64 -4.77 1.61 3.02 -1.26 -4.29 115.26 111.89 1bui n ASN 37 Ca 0.00 1.12 -0.40 0.00 -0.03 0.00 0.00 54.58 55.27 1bui n ASN 37 Cb 0.00 -1.15 -0.03 0.00 -0.61 0.00 0.00 39.78 37.99 1bui n ASN 37 CO 0.00 0.00 0.00 -0.70 -2.62 0.00 0.00 177.26 173.94 1bui s GLU 38 N 1.09 4.41 0.00 3.52 2.12 -1.26 0.12 118.70 128.70 1bui s GLU 38 Ca 0.88 1.87 0.00 0.00 0.36 0.00 0.00 54.97 58.08 1bui s GLU 38 Cb -1.01 -2.99 0.00 0.00 0.26 0.00 0.00 34.13 30.38 1bui s GLU 38 CO 0.52 -0.02 0.00 1.28 -0.54 0.00 0.00 175.26 176.50 1bui n LEU 39 N 0.75 1.88 -3.80 2.70 4.32 -0.95 -4.82 117.00 117.08 1bui n LEU 39 Ca 0.01 0.00 -0.13 0.00 -0.02 0.00 0.00 56.01 55.87 1bui n LEU 39 Cb 0.45 0.00 -0.12 0.00 -1.62 0.00 0.00 43.42 42.13 1bui n LEU 39 CO 0.53 0.31 -0.13 -0.22 -1.22 0.00 0.00 177.39 176.67 1bui s LEU 40 N -4.25 1.18 -0.53 2.23 2.96 0.65 -5.03 118.68 115.88 1bui s LEU 40 Ca 0.00 0.41 0.06 0.00 -0.22 0.00 0.00 54.13 54.38 1bui s LEU 40 Cb 0.00 0.75 0.22 0.00 0.50 0.00 0.00 46.19 47.65 1bui s LEU 40 CO 0.00 -0.09 0.54 -0.24 -1.32 0.00 0.00 176.35 175.24 1bui n SER 41 N 2.89 1.65 -4.72 3.68 2.88 -1.26 -0.23 113.62 118.51 1bui n SER 41 Ca -0.13 -2.95 -0.42 0.00 -1.33 0.00 0.00 58.87 54.04 1bui n SER 41 Cb 0.58 -0.65 -0.03 0.00 -0.75 0.00 0.00 64.21 63.36 1bui n SER 41 CO 0.00 0.00 0.00 -2.16 -1.23 0.00 0.00 175.04 171.65 1bui s PRO 42 N -1.35 4.29 0.35 -1.46 0.04 -1.26 -4.97 135.00 130.64 1bui s PRO 42 Ca 0.34 2.16 -0.28 0.00 0.04 0.00 0.00 61.00 63.25 1bui s PRO 42 Cb 0.09 -3.22 -0.12 0.00 0.04 0.00 0.00 34.50 31.30 1bui s PRO 42 CO -0.11 -0.48 1.42 1.58 0.04 0.00 0.00 177.00 179.45 1bui n HIS 43 N 3.88 2.66 -1.10 0.56 -0.00 -1.26 -4.66 115.22 115.30 1bui n HIS 43 Ca 0.12 0.46 -0.36 0.00 0.46 0.00 0.00 57.72 58.41 1bui n HIS 43 Cb 0.41 -2.49 0.07 0.00 -0.12 0.00 0.00 29.99 27.86 1bui n HIS 43 CO 0.00 0.00 0.00 2.48 0.46 0.00 0.00 176.34 179.28 1bui n TYR 44 N 0.67 -2.05 -3.78 1.57 0.18 -1.26 -4.92 117.16 107.56 1bui n TYR 44 Ca 0.04 0.26 -0.13 0.00 1.88 0.00 0.00 57.90 59.95 1bui n TYR 44 Cb 0.37 -1.76 -0.11 0.00 -0.38 0.00 0.00 39.34 37.45 1bui n TYR 44 CO 0.00 0.00 0.00 0.54 -2.08 0.00 0.00 176.86 175.32 1bui s VAL 45 N -2.05 0.01 -0.11 -3.48 0.11 -0.91 -4.99 120.40 108.98 1bui s VAL 45 Ca 0.58 -0.07 -0.00 0.00 -2.93 0.00 0.00 61.98 59.55 1bui s VAL 45 Cb -0.30 -0.40 -0.02 0.00 -1.53 0.00 0.00 36.38 34.13 1bui s VAL 45 CO 0.66 -0.04 -0.09 -1.83 -3.33 0.00 0.00 175.10 170.47 1bui s GLU 46 N -0.05 3.18 -0.10 1.54 -1.05 -1.26 0.34 118.70 121.29 1bui s GLU 46 Ca -0.02 -0.60 0.03 0.00 -0.15 0.00 0.00 54.97 54.23 1bui s GLU 46 Cb -0.02 -2.66 -0.01 0.00 -0.44 0.00 0.00 34.13 31.00 1bui s GLU 46 CO 0.01 0.40 -0.21 -0.06 0.95 0.00 0.00 175.26 176.35 1bui s PHE 47 N -0.11 2.61 0.06 4.83 0.08 0.31 -4.91 117.98 120.86 1bui s PHE 47 Ca 0.00 -0.88 -0.31 0.00 0.12 0.00 0.00 56.93 55.86 1bui s PHE 47 Cb -0.13 -1.73 -0.07 0.00 -0.57 0.00 0.00 43.02 40.52 1bui s PHE 47 CO 0.03 -0.33 1.37 -2.14 -0.10 0.00 0.00 175.22 174.06 1bui s PRO 48 N 0.25 4.32 -0.02 0.24 0.02 -1.26 0.16 135.00 138.71 1bui s PRO 48 Ca -0.14 1.99 0.07 0.00 0.02 0.00 0.00 61.00 62.94 1bui s PRO 48 Cb -0.17 -3.41 -0.02 0.00 0.02 0.00 0.00 34.50 30.93 1bui s PRO 48 CO 0.07 -0.48 -0.22 0.96 -0.33 0.00 0.00 177.00 177.01 1bui s ILE 49 N 1.68 1.73 0.17 2.83 -4.36 -1.07 -4.84 121.20 117.35 1bui s ILE 49 Ca 0.64 -0.93 -0.17 0.00 -0.26 0.00 0.00 60.65 59.92 1bui s ILE 49 Cb -0.34 -1.44 -0.08 0.00 1.25 0.00 0.00 42.46 41.86 1bui s ILE 49 CO 0.29 0.49 0.64 -1.59 0.24 0.00 0.00 174.94 175.00 1bui s LYS 50 N -0.49 4.14 -0.03 0.37 0.00 -1.26 -4.48 119.74 117.99 1bui s LYS 50 Ca 0.08 0.70 -0.30 0.00 0.00 0.00 0.00 55.97 56.45 1bui s LYS 50 Cb -0.09 -2.94 -0.05 0.00 0.00 0.00 0.00 37.83 34.75 1bui s LYS 50 CO -0.01 0.46 1.39 -2.14 0.00 0.00 0.00 175.35 175.05 1bui s PRO 51 N -1.87 4.27 0.00 1.78 0.02 -1.26 -2.71 135.00 135.24 1bui s PRO 51 Ca 0.39 1.93 0.00 0.00 0.02 0.00 0.00 61.00 63.34 1bui s PRO 51 Cb -0.16 -3.63 0.00 0.00 0.02 0.00 0.00 34.50 30.73 1bui s PRO 51 CO 0.20 -0.60 0.00 0.41 -0.33 0.00 0.00 177.00 176.68 1bui n GLY 52 N 3.66 0.72 3.61 0.52 0.00 0.70 -4.93 105.19 109.46 1bui n GLY 52 Ca 0.13 -0.07 -0.29 0.00 0.00 0.00 0.00 46.02 45.79 1bui n GLY 52 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1bui s THR 53 N -1.06 1.82 -0.10 2.61 -4.23 -1.10 -4.46 115.64 109.13 1bui s THR 53 Ca 0.00 0.00 0.01 0.00 -1.18 0.00 0.00 61.69 60.52 1bui s THR 53 Cb 0.00 -2.43 -0.02 0.00 1.34 0.00 0.00 72.50 71.39 1bui s THR 53 CO 0.00 0.00 -0.14 -0.89 -0.54 0.00 0.00 174.62 173.05 1bui s THR 54 N -2.90 3.01 -0.52 3.99 2.01 -1.26 -0.40 115.64 119.58 1bui s THR 54 Ca 0.68 -0.70 -0.08 0.00 0.31 0.00 0.00 61.69 61.90 1bui s THR 54 Cb -0.16 -2.23 0.13 0.00 0.01 0.00 0.00 72.50 70.26 1bui s THR 54 CO 0.58 0.55 0.38 -0.22 -0.69 0.00 0.00 174.62 175.22 1bui s LEU 55 N -0.01 5.66 0.62 4.42 2.96 0.94 -4.85 118.68 128.42 1bui s LEU 55 Ca -0.04 -2.16 -0.05 0.00 -0.22 0.00 0.00 54.13 51.66 1bui s LEU 55 Cb -0.14 -1.98 0.03 0.00 0.50 0.00 0.00 46.19 44.60 1bui s LEU 55 CO 0.04 -0.61 0.92 0.42 -1.32 0.00 0.00 176.35 175.80 1bui s THR 56 N 0.98 3.00 0.28 3.68 -4.23 -1.26 -3.05 115.64 115.05 1bui s THR 56 Ca 0.09 -0.21 0.01 0.00 -1.18 0.00 0.00 61.69 60.40 1bui s THR 56 Cb -0.23 -3.22 0.28 0.00 1.34 0.00 0.00 72.50 70.67 1bui s THR 56 CO -0.02 -0.22 1.85 0.50 -0.54 0.00 0.00 174.62 176.19 1bui h LYS 57 N -0.28 0.99 0.32 3.99 3.64 -0.19 -2.27 116.57 122.77 1bui h LYS 57 Ca -0.45 -0.06 -0.01 0.00 -1.27 0.00 0.00 60.65 58.87 1bui h LYS 57 Cb 1.28 -0.22 -0.01 0.00 -0.41 0.00 0.00 32.23 32.87 1bui h LYS 57 CO 0.59 0.66 -0.22 1.49 -2.27 0.00 0.00 179.45 179.70 1bui h GLU 58 N 1.02 -0.51 -0.29 1.90 4.81 -1.91 -2.78 114.58 116.82 1bui h GLU 58 Ca 0.48 0.03 -0.03 0.00 -0.13 0.00 0.00 59.36 59.72 1bui h GLU 58 Cb 0.43 0.12 -0.02 0.00 0.63 0.00 0.00 28.75 29.91 1bui h GLU 58 CO -0.24 -0.34 0.04 0.87 -0.73 0.00 0.00 179.01 178.61 1bui h LYS 59 N -0.53 0.43 -0.20 1.92 1.79 -1.82 -2.02 116.57 116.14 1bui h LYS 59 Ca -0.03 -0.07 0.01 0.00 -2.18 0.00 0.00 60.65 58.39 1bui h LYS 59 Cb 0.45 -0.07 -0.02 0.00 -1.58 0.00 0.00 32.23 31.01 1bui h LYS 59 CO 0.01 0.42 0.09 0.82 -1.08 0.00 0.00 179.45 179.72 1bui h ILE 60 N 0.42 0.99 -0.27 1.86 1.08 -1.24 -1.76 117.51 118.58 1bui h ILE 60 Ca 0.10 -0.07 -0.06 0.00 -0.39 0.00 0.00 64.86 64.44 1bui h ILE 60 Cb 0.22 0.77 -0.02 0.00 -3.07 0.00 0.00 36.82 34.72 1bui h ILE 60 CO 0.00 0.04 -0.09 -0.33 -0.69 0.00 0.00 178.15 177.07 1bui h GLU 61 N 0.20 0.44 -0.17 2.37 5.08 -1.20 0.52 114.58 121.81 1bui h GLU 61 Ca 0.08 -0.11 -0.04 0.00 -1.00 0.00 0.00 59.36 58.29 1bui h GLU 61 Cb 0.03 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.21 1bui h GLU 61 CO -0.06 0.54 -0.07 -0.92 -1.00 0.00 0.00 179.01 177.50 1bui h TYR 62 N 0.42 0.26 0.00 4.33 3.20 -0.99 0.01 116.97 124.20 1bui h TYR 62 Ca 0.08 -0.02 -0.24 0.00 3.14 0.00 0.00 58.73 61.69 1bui h TYR 62 Cb 0.42 -0.08 -0.04 0.00 1.54 0.00 0.00 36.73 38.58 1bui h TYR 62 CO 0.01 0.34 -1.27 1.88 -1.64 0.00 0.00 178.16 177.48 1bui h TYR 63 N 0.25 0.00 -0.07 -3.82 0.05 -0.19 -2.13 116.97 111.06 1bui h TYR 63 Ca 0.05 0.00 -0.22 0.00 0.05 0.00 0.00 58.73 58.62 1bui h TYR 63 Cb 0.30 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.04 1bui h TYR 63 CO 0.00 1.00 -0.84 0.28 -1.05 0.00 0.00 178.16 177.56 1bui h VAL 64 N 0.00 1.34 0.37 -2.88 2.07 0.62 -2.95 116.25 114.82 1bui h VAL 64 Ca -0.12 -2.17 -0.02 0.00 0.82 0.00 0.00 66.70 65.21 1bui h VAL 64 Cb 1.86 2.18 0.00 0.00 -1.52 0.00 0.00 31.29 33.81 1bui h VAL 64 CO 0.11 0.66 -0.18 -0.33 0.02 0.00 0.00 177.57 177.86 1bui h GLU 65 N 0.36 -0.48 -1.71 1.57 4.39 -1.10 -1.60 114.58 116.01 1bui h GLU 65 Ca -0.06 0.03 0.52 0.00 0.34 0.00 0.00 59.36 60.19 1bui h GLU 65 Cb 1.45 0.11 -0.10 0.00 -0.10 0.00 0.00 28.75 30.11 1bui h GLU 65 CO 0.16 -0.19 1.20 2.35 -1.16 0.00 0.00 179.01 181.36 1bui h TRP 66 N -0.75 0.19 0.03 4.33 -0.00 -1.44 0.89 115.95 119.20 1bui h TRP 66 Ca -0.05 0.01 -0.33 0.00 -0.00 0.00 0.00 58.89 58.52 1bui h TRP 66 Cb 0.51 -0.04 -0.05 0.00 -0.00 0.00 0.00 29.16 29.58 1bui h TRP 66 CO 0.01 -0.10 -1.94 0.00 -0.00 0.00 0.00 178.44 176.41 1bui n ALA 67 N -2.77 1.34 0.02 2.65 0.00 -1.03 -3.56 120.51 117.16 1bui n ALA 67 Ca 0.42 -0.83 -0.07 0.00 0.00 0.00 0.00 53.44 52.96 1bui n ALA 67 Cb 1.80 -0.65 0.12 0.00 0.00 0.00 0.00 19.45 20.71 1bui n ALA 67 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 1bui h LEU 68 N 0.02 0.52 -1.15 0.00 3.38 0.09 -2.91 115.31 115.26 1bui h LEU 68 Ca -0.38 -0.24 -0.09 0.00 0.09 0.00 0.00 57.88 57.26 1bui h LEU 68 Cb 2.05 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 42.64 1bui h LEU 68 CO 0.06 0.89 -0.41 0.44 0.09 0.00 0.00 178.44 179.52 1bui h ASP 69 N 0.40 0.00 0.94 -0.43 3.32 -1.24 0.46 116.42 119.88 1bui h ASP 69 Ca 0.03 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.08 1bui h ASP 69 Cb 0.93 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.48 1bui h ASP 69 CO 0.08 0.41 0.00 0.00 -1.72 0.00 0.00 179.24 178.01 1bui h ALA 70 N 1.59 1.00 0.00 3.45 0.00 -1.56 -2.30 119.26 121.44 1bui h ALA 70 Ca -0.00 0.00 -0.22 0.00 0.00 0.00 0.00 54.91 54.69 1bui h ALA 70 Cb 0.76 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 18.52 1bui h ALA 70 CO 0.05 0.00 -1.79 2.41 0.00 0.00 0.00 179.25 179.93 1bui n THR 71 N -3.01 0.79 -3.65 0.00 -1.04 -0.88 -4.83 114.28 101.67 1bui n THR 71 Ca 0.01 -0.27 -0.28 0.00 -2.04 0.00 0.00 64.05 61.46 1bui n THR 71 Cb 0.29 -1.19 -0.12 0.00 -1.82 0.00 0.00 70.33 67.49 1bui n THR 71 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1bui s ALA 72 N -2.27 2.39 -0.18 2.41 0.00 0.16 -5.05 121.76 119.22 1bui s ALA 72 Ca -0.19 -2.94 -0.34 0.00 0.00 0.00 0.00 51.96 48.49 1bui s ALA 72 Cb 0.06 -1.86 -0.11 0.00 0.00 0.00 0.00 23.12 21.21 1bui s ALA 72 CO 0.30 -2.04 2.00 0.98 0.00 0.00 0.00 175.76 177.00 1bui n TYR 73 N 2.76 2.10 -0.55 0.00 9.36 -0.86 -3.16 117.16 126.81 1bui n TYR 73 Ca 0.21 0.06 0.00 0.00 3.32 0.00 0.00 57.90 61.49 1bui n TYR 73 Cb 0.40 -2.64 0.00 0.00 -0.63 0.00 0.00 39.34 36.47 1bui n TYR 73 CO 0.00 0.00 0.00 1.63 0.22 0.00 0.00 176.86 178.71 1bui n LYS 74 N 7.28 0.00 -3.21 2.98 4.76 -1.26 -4.98 118.16 123.73 1bui n LYS 74 Ca 0.28 0.00 -0.26 0.00 -2.87 0.00 0.00 58.31 55.46 1bui n LYS 74 Cb 0.29 -3.79 -0.01 0.00 -1.84 0.00 0.00 35.03 29.68 1bui n LYS 74 CO 0.00 0.00 0.00 -2.00 -1.37 0.00 0.00 177.40 174.03 1bui s GLU 75 N -0.59 3.54 0.51 1.97 2.12 -1.19 -4.73 118.70 120.33 1bui s GLU 75 Ca 0.00 -0.13 0.00 0.00 0.36 0.00 0.00 54.97 55.20 1bui s GLU 75 Cb 0.00 -2.60 0.00 0.00 0.26 0.00 0.00 34.13 31.79 1bui s GLU 75 CO 0.00 0.09 0.00 1.19 -0.54 0.00 0.00 175.26 176.00 1bui n PHE 76 N -1.65 -3.79 -3.75 5.30 3.72 -1.26 -4.66 117.46 111.37 1bui n PHE 76 Ca -0.03 2.05 -0.12 0.00 -0.05 0.00 0.00 57.45 59.30 1bui n PHE 76 Cb 0.55 -3.23 -0.08 0.00 -0.94 0.00 0.00 39.48 35.78 1bui n PHE 76 CO 0.00 0.00 0.00 1.03 -0.05 0.00 0.00 176.76 177.74 1bui s ARG 77 N -5.06 0.79 0.19 -1.08 3.00 -1.26 -4.45 118.95 111.07 1bui s ARG 77 Ca 0.00 -0.42 -0.26 0.00 0.00 0.00 0.00 55.73 55.06 1bui s ARG 77 Cb 0.00 0.34 -0.08 0.00 0.00 0.00 0.00 34.95 35.21 1bui s ARG 77 CO 0.00 -0.25 0.80 0.14 0.00 0.00 0.00 175.30 176.00 1bui s VAL 78 N -2.25 4.33 0.00 3.52 -7.23 -1.26 -1.56 120.40 115.94 1bui s VAL 78 Ca -0.07 1.73 0.00 0.00 -1.81 0.00 0.00 61.98 61.83 1bui s VAL 78 Cb -0.02 -4.14 0.00 0.00 0.56 0.00 0.00 36.38 32.79 1bui s VAL 78 CO -0.01 0.47 0.00 0.52 -0.31 0.00 0.00 175.10 175.77 1bui n VAL 79 N 1.45 0.00 -4.04 1.32 0.31 0.27 -4.90 118.33 112.73 1bui n VAL 79 Ca -0.04 0.08 -0.32 0.00 -0.01 0.00 0.00 64.34 64.05 1bui n VAL 79 Cb 0.49 -0.98 -0.16 0.00 -0.91 0.00 0.00 33.84 32.28 1bui n VAL 79 CO 0.00 0.00 0.00 -0.70 -1.32 0.00 0.00 176.83 174.81 1bui s GLU 80 N -0.22 2.26 0.12 5.55 2.56 -1.06 -4.97 118.70 122.94 1bui s GLU 80 Ca 0.00 -1.06 -0.32 0.00 0.00 0.00 0.00 54.97 53.59 1bui s GLU 80 Cb 0.00 -2.65 -0.10 0.00 2.00 0.00 0.00 34.13 33.38 1bui s GLU 80 CO 0.00 -0.46 1.57 1.25 -0.56 0.00 0.00 175.26 177.06 1bui h LEU 81 N 7.88 -1.51 0.00 2.70 7.12 -1.89 0.03 115.31 129.64 1bui h LEU 81 Ca -0.27 0.18 0.00 0.00 0.13 0.00 0.00 57.88 57.92 1bui h LEU 81 Cb 1.08 0.59 0.00 0.00 -0.53 0.00 0.00 40.66 41.80 1bui h LEU 81 CO 0.49 -0.49 0.00 -0.67 -0.13 0.00 0.00 178.44 177.65 1bui n ASP 82 N -5.45 0.00 -0.41 1.25 -0.08 -1.26 -3.56 116.55 107.04 1bui n ASP 82 Ca -0.06 0.00 0.33 0.00 -1.51 0.00 0.00 54.79 53.55 1bui n ASP 82 Cb 0.38 0.00 0.61 0.00 2.34 0.00 0.00 41.12 44.45 1bui n ASP 82 CO 0.00 0.00 0.00 -0.65 0.12 0.00 0.00 177.20 176.67 1bui h PRO 83 N 0.00 0.13 -6.22 -0.67 0.11 -1.94 -3.39 132.00 120.03 1bui h PRO 83 Ca 0.00 -0.01 -0.54 0.00 0.11 0.00 0.00 66.00 65.56 1bui h PRO 83 Cb 0.00 -0.03 -0.04 0.00 0.11 0.00 0.00 31.00 31.04 1bui h PRO 83 CO 0.00 0.09 1.25 -1.12 -0.21 0.00 0.00 178.00 178.01 1bui s SER 84 N -4.62 5.75 -1.40 -2.05 0.01 -1.26 -4.91 113.70 105.23 1bui s SER 84 Ca -0.08 0.70 -0.14 0.00 1.31 0.00 0.00 55.95 57.74 1bui s SER 84 Cb 0.30 -2.53 0.07 0.00 0.21 0.00 0.00 66.02 64.07 1bui s SER 84 CO 0.81 -1.93 2.07 0.00 0.41 0.00 0.00 173.24 174.61 1bui n ALA 85 N 10.92 5.20 -0.69 1.44 0.00 -1.26 -4.83 120.51 131.29 1bui n ALA 85 Ca 0.19 -3.97 -0.07 0.00 0.00 0.00 0.00 53.44 49.59 1bui n ALA 85 Cb 0.49 -3.43 -0.10 0.00 0.00 0.00 0.00 19.45 16.42 1bui n ALA 85 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1bui n LYS 86 N 5.96 1.38 -3.27 0.00 4.76 -1.26 -4.61 118.16 121.11 1bui n LYS 86 Ca 0.49 -0.58 -0.37 0.00 -2.87 0.00 0.00 58.31 54.99 1bui n LYS 86 Cb 0.40 -1.68 -0.03 0.00 -1.84 0.00 0.00 35.03 31.88 1bui n LYS 86 CO 0.00 0.00 0.00 1.51 -1.37 0.00 0.00 177.40 177.54 1bui n ILE 87 N 2.32 3.93 -4.07 -0.18 3.06 -1.24 -2.99 119.36 120.20 1bui n ILE 87 Ca 0.25 -5.54 -0.28 0.00 -2.50 0.00 0.00 62.75 54.68 1bui n ILE 87 Cb 0.64 -2.16 -0.06 0.00 0.54 0.00 0.00 39.64 38.60 1bui n ILE 87 CO 0.00 0.00 0.00 -1.61 -2.50 0.00 0.00 176.55 172.44 1bui s GLU 88 N -2.38 2.90 -0.02 9.51 2.02 -1.02 -0.95 118.70 128.77 1bui s GLU 88 Ca 0.33 -0.80 0.04 0.00 0.02 0.00 0.00 54.97 54.56 1bui s GLU 88 Cb 0.05 -2.68 -0.01 0.00 0.10 0.00 0.00 34.13 31.60 1bui s GLU 88 CO 0.02 0.51 -0.14 0.54 0.02 0.00 0.00 175.26 176.21 1bui s VAL 89 N -1.63 1.16 -0.02 2.63 0.11 0.52 -1.99 120.40 121.19 1bui s VAL 89 Ca 0.30 -0.61 0.05 0.00 -2.93 0.00 0.00 61.98 58.80 1bui s VAL 89 Cb -0.11 -0.98 -0.01 0.00 -1.53 0.00 0.00 36.38 33.75 1bui s VAL 89 CO 0.23 0.33 -0.16 -0.89 -3.33 0.00 0.00 175.10 171.28 1bui s THR 90 N -0.20 1.29 0.33 5.04 2.01 -1.26 0.13 115.64 122.98 1bui s THR 90 Ca 0.03 -0.69 -0.03 0.00 0.31 0.00 0.00 61.69 61.30 1bui s THR 90 Cb -0.07 -1.08 0.01 0.00 0.01 0.00 0.00 72.50 71.37 1bui s THR 90 CO 0.00 0.37 0.49 0.00 -0.69 0.00 0.00 174.62 174.79 1bui n TYR 91 N 2.75 -1.50 -4.17 4.92 4.11 -0.04 -4.75 117.16 118.48 1bui n TYR 91 Ca -0.15 -2.12 -0.34 0.00 -0.00 0.00 0.00 57.90 55.28 1bui n TYR 91 Cb 0.54 0.56 -0.12 0.00 -0.00 0.00 0.00 39.34 40.33 1bui n TYR 91 CO 0.00 0.00 0.00 -0.47 -0.00 0.00 0.00 176.86 176.39 1bui s TYR 92 N -3.02 3.09 -0.47 -3.48 5.04 -1.26 -1.76 117.35 115.48 1bui s TYR 92 Ca 0.25 -0.26 -0.20 0.00 -2.44 0.00 0.00 57.07 54.42 1bui s TYR 92 Cb -0.01 -2.04 0.04 0.00 0.35 0.00 0.00 41.96 40.29 1bui s TYR 92 CO 0.18 -0.07 0.64 0.34 -1.34 0.00 0.00 175.55 175.31 1bui s ASP 93 N 0.63 6.28 0.25 4.32 -1.08 0.13 -4.80 116.67 122.39 1bui s ASP 93 Ca -0.00 -0.57 0.21 0.00 -0.52 0.00 0.00 52.55 51.67 1bui s ASP 93 Cb -0.14 -2.31 0.98 0.00 -1.46 0.00 0.00 42.92 39.99 1bui s ASP 93 CO 0.02 -0.84 1.64 2.29 0.52 0.00 0.00 175.17 178.80 1bui n LYS 94 N 6.27 0.15 -0.10 4.34 2.85 -1.26 -0.70 118.16 129.72 1bui n LYS 94 Ca -0.04 0.49 -0.15 0.00 -1.05 0.00 0.00 58.31 57.57 1bui n LYS 94 Cb 0.47 -1.86 -0.06 0.00 -0.65 0.00 0.00 35.03 32.93 1bui n LYS 94 CO 0.00 0.00 0.00 0.09 -0.05 0.00 0.00 177.40 177.44 1bui n ASN 95 N -2.16 1.87 0.30 -5.58 4.13 -1.26 -4.06 115.26 108.51 1bui n ASN 95 Ca 0.01 0.47 0.18 0.00 1.68 0.00 0.00 54.58 56.91 1bui n ASN 95 Cb 0.15 -0.87 0.97 0.00 -1.54 0.00 0.00 39.78 38.49 1bui n ASN 95 CO 0.00 0.00 0.00 0.11 0.28 0.00 0.00 177.26 177.65 1bui h LYS 96 N -1.00 0.00 -1.17 3.52 1.79 -1.98 -3.45 116.57 114.28 1bui h LYS 96 Ca -0.23 0.00 -0.25 0.00 -2.18 0.00 0.00 60.65 57.99 1bui h LYS 96 Cb 1.03 0.00 -0.05 0.00 -1.58 0.00 0.00 32.23 31.63 1bui h LYS 96 CO -0.14 0.03 -0.27 1.63 -1.08 0.00 0.00 179.45 179.62 1bui n LYS 97 N -3.38 -0.91 -4.26 3.15 5.02 0.13 -4.99 118.16 112.92 1bui n LYS 97 Ca -0.02 0.76 -0.17 0.00 -2.02 0.00 0.00 58.31 56.86 1bui n LYS 97 Cb 0.15 -4.86 -0.09 0.00 -0.02 0.00 0.00 35.03 30.21 1bui n LYS 97 CO 0.00 0.00 0.00 -1.59 -0.52 0.00 0.00 177.40 175.29 1bui s LYS 98 N -3.84 1.53 -0.19 1.97 -2.85 -1.01 -4.99 119.74 110.37 1bui s LYS 98 Ca 0.00 -1.86 -0.12 0.00 -1.00 0.00 0.00 55.97 52.98 1bui s LYS 98 Cb 0.00 0.26 -0.05 0.00 -2.06 0.00 0.00 37.83 35.98 1bui s LYS 98 CO 0.00 -0.53 0.24 -2.00 0.10 0.00 0.00 175.35 173.16 1bui s GLU 99 N -3.75 4.19 -0.12 1.78 2.12 -1.26 0.18 118.70 121.83 1bui s GLU 99 Ca 0.39 -0.05 -0.06 0.00 0.36 0.00 0.00 54.97 55.62 1bui s GLU 99 Cb 0.04 -3.46 -0.04 0.00 0.26 0.00 0.00 34.13 30.93 1bui s GLU 99 CO 0.21 0.17 0.08 -1.21 -0.54 0.00 0.00 175.26 173.97 1bui s GLU 100 N 0.69 3.43 -0.57 4.30 0.41 -0.72 -4.89 118.70 121.35 1bui s GLU 100 Ca 0.13 -0.26 0.04 0.00 -0.41 0.00 0.00 54.97 54.47 1bui s GLU 100 Cb -0.13 -3.08 0.15 0.00 -1.78 0.00 0.00 34.13 29.29 1bui s GLU 100 CO 0.03 0.65 0.35 0.99 -0.49 0.00 0.00 175.26 176.78 1bui s THR 101 N -0.68 2.45 1.04 3.63 2.01 -1.26 -0.86 115.64 121.97 1bui s THR 101 Ca 0.12 -3.55 -0.12 0.00 0.31 0.00 0.00 61.69 58.45 1bui s THR 101 Cb -0.12 -2.66 0.21 0.00 0.01 0.00 0.00 72.50 69.94 1bui s THR 101 CO 0.02 -0.91 1.07 -0.54 -0.69 0.00 0.00 174.62 173.58 1bui s LYS 102 N -0.62 0.10 -0.28 4.92 1.02 0.34 -4.78 119.74 120.44 1bui s LYS 102 Ca 0.21 0.66 -0.17 0.00 0.02 0.00 0.00 55.97 56.69 1bui s LYS 102 Cb -0.17 -1.69 0.11 0.00 -0.52 0.00 0.00 37.83 35.56 1bui s LYS 102 CO -0.07 -2.99 0.83 0.45 -0.92 0.00 0.00 175.35 172.65 1bui s SER 103 N -3.16 -0.73 0.37 2.83 0.15 -1.26 -0.36 113.70 111.54 1bui s SER 103 Ca 0.66 1.19 0.08 0.00 0.70 0.00 0.00 55.95 58.58 1bui s SER 103 Cb -0.20 1.29 -0.07 0.00 -1.71 0.00 0.00 66.02 65.32 1bui s SER 103 CO 0.60 -0.19 -0.05 -0.36 1.20 0.00 0.00 173.24 174.44 1bui s PHE 104 N 1.36 2.41 0.01 3.44 0.40 -0.12 -4.94 117.98 120.54 1bui s PHE 104 Ca -0.08 -0.59 -0.01 0.00 -0.60 0.00 0.00 56.93 55.64 1bui s PHE 104 Cb -0.04 -1.52 -0.04 0.00 0.51 0.00 0.00 43.02 41.92 1bui s PHE 104 CO -0.16 0.50 0.15 -2.14 0.70 0.00 0.00 175.22 174.27 1bui s PRO 105 N -3.66 3.29 -0.52 0.24 0.02 -1.26 -3.98 135.00 129.13 1bui s PRO 105 Ca 0.33 -0.41 -0.22 0.00 0.02 0.00 0.00 61.00 60.73 1bui s PRO 105 Cb 0.06 -2.99 0.05 0.00 0.02 0.00 0.00 34.50 31.63 1bui s PRO 105 CO 0.17 0.65 0.78 0.42 -0.33 0.00 0.00 177.00 178.69 1bui s ILE 106 N -1.32 4.63 0.15 2.83 -1.09 -1.26 -4.72 121.20 120.42 1bui s ILE 106 Ca 0.27 -0.05 -0.10 0.00 -2.23 0.00 0.00 60.65 58.55 1bui s ILE 106 Cb -0.12 -4.41 -0.00 0.00 -1.58 0.00 0.00 42.46 36.35 1bui s ILE 106 CO 0.19 -0.93 0.29 0.42 -1.23 0.00 0.00 174.94 173.68 1bui s THR 107 N 3.29 0.08 0.50 2.92 -4.23 -1.26 -4.80 115.64 112.14 1bui s THR 107 Ca 0.23 -1.26 0.15 0.00 -1.18 0.00 0.00 61.69 59.63 1bui s THR 107 Cb -0.15 -1.70 0.27 0.00 1.34 0.00 0.00 72.50 72.26 1bui s THR 107 CO 0.16 -0.35 2.13 1.05 -0.54 0.00 0.00 174.62 177.07 1bui h GLU 108 N 2.55 0.09 0.00 3.99 9.09 -1.94 0.58 114.58 128.94 1bui h GLU 108 Ca -0.32 -0.01 -0.13 0.00 0.05 0.00 0.00 59.36 58.95 1bui h GLU 108 Cb 1.23 -0.02 -0.02 0.00 -1.65 0.00 0.00 28.75 28.29 1bui h GLU 108 CO 0.49 0.06 -0.64 1.57 0.05 0.00 0.00 179.01 180.53 1bui h LYS 109 N 0.09 0.00 0.00 1.06 5.09 -1.95 -3.42 116.57 117.44 1bui h LYS 109 Ca 0.03 0.00 0.00 0.00 0.09 0.00 0.00 60.65 60.77 1bui h LYS 109 Cb 0.02 0.00 0.00 0.00 0.10 0.00 0.00 32.23 32.35 1bui h LYS 109 CO -0.01 0.62 0.00 0.41 -2.09 0.00 0.00 179.45 178.39 1bui n GLY 110 N 1.26 0.27 3.52 0.07 0.00 -0.11 -4.82 105.19 105.37 1bui n GLY 110 Ca 0.01 -0.91 -0.18 0.00 0.00 0.00 0.00 46.02 44.95 1bui n GLY 110 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1bui s PHE 111 N 0.00 -0.65 0.18 1.61 -0.12 -1.17 -4.85 117.98 112.98 1bui s PHE 111 Ca 0.00 1.15 -0.30 0.00 -0.05 0.00 0.00 56.93 57.73 1bui s PHE 111 Cb 0.00 0.39 -0.08 0.00 -0.63 0.00 0.00 43.02 42.71 1bui s PHE 111 CO 0.00 -0.59 0.96 0.54 -0.05 0.00 0.00 175.22 176.08 1bui s VAL 112 N -1.10 4.23 -0.19 -2.49 0.11 -1.26 -0.04 120.40 119.65 1bui s VAL 112 Ca -0.10 2.05 -0.29 0.00 -2.93 0.00 0.00 61.98 60.70 1bui s VAL 112 Cb -0.00 -4.31 -0.03 0.00 -1.53 0.00 0.00 36.38 30.51 1bui s VAL 112 CO 0.09 0.41 1.56 -0.69 -3.33 0.00 0.00 175.10 173.15 1bui s VAL 113 N -0.64 3.77 1.27 2.04 1.01 0.47 -4.87 120.40 123.46 1bui s VAL 113 Ca 0.44 0.89 -0.16 0.00 0.00 0.00 0.00 61.98 63.15 1bui s VAL 113 Cb -0.25 -3.73 0.33 0.00 0.00 0.00 0.00 36.38 32.73 1bui s VAL 113 CO 0.31 -0.25 0.98 -2.16 0.00 0.00 0.00 175.10 173.98 1bui s PRO 114 N 4.41 -1.79 0.00 2.72 0.04 -1.26 -0.22 135.00 138.91 1bui s PRO 114 Ca 0.69 0.66 0.00 0.00 0.04 0.00 0.00 61.00 62.39 1bui s PRO 114 Cb -0.25 -1.47 0.00 0.00 0.04 0.00 0.00 34.50 32.82 1bui s PRO 114 CO 0.27 -4.25 0.00 -3.47 0.04 0.00 0.00 177.00 169.59 1bui n ASP 115 N -5.27 0.00 0.00 6.66 2.03 -1.26 -4.44 116.55 114.27 1bui n ASP 115 Ca 0.05 0.23 0.00 0.00 0.52 0.00 0.00 54.79 55.58 1bui n ASP 115 Cb 0.56 -0.23 0.00 0.00 -0.72 0.00 0.00 41.12 40.73 1bui n ASP 115 CO 0.00 0.00 0.00 0.18 -1.92 0.00 0.00 177.20 175.46 1bui n LEU 116 N -1.20 0.29 0.12 -2.67 4.77 -1.26 -4.81 117.00 112.24 1bui n LEU 116 Ca 0.00 0.00 0.06 0.00 -0.03 0.00 0.00 56.01 56.04 1bui n LEU 116 Cb 0.00 -0.53 0.51 0.00 -2.33 0.00 0.00 43.42 41.08 1bui n LEU 116 CO 0.00 -0.14 1.10 0.77 -1.33 0.00 0.00 177.39 177.79 1bui h SER 117 N 0.00 0.25 -1.08 -1.43 4.64 -1.92 1.18 113.55 115.20 1bui h SER 117 Ca 0.00 -0.01 0.30 0.00 -0.47 0.00 0.00 61.79 61.62 1bui h SER 117 Cb 0.00 -0.06 -0.05 0.00 -0.31 0.00 0.00 62.40 61.97 1bui h SER 117 CO 0.00 0.20 0.76 -0.33 -0.87 0.00 0.00 176.83 176.59 1bui h GLU 118 N 0.30 0.07 0.00 4.77 4.39 -2.01 -3.20 114.58 118.90 1bui h GLU 118 Ca 0.08 -0.00 -0.00 0.00 0.34 0.00 0.00 59.36 59.77 1bui h GLU 118 Cb -0.01 -0.02 -0.00 0.00 -0.10 0.00 0.00 28.75 28.63 1bui h GLU 118 CO -0.01 0.05 -1.00 0.72 -1.16 0.00 0.00 179.01 177.60 1bui n HIS 119 N -4.29 0.00 -4.62 4.33 8.25 0.25 -4.98 115.22 114.17 1bui n HIS 119 Ca 0.23 0.00 -0.25 0.00 -0.26 0.00 0.00 57.72 57.45 1bui n HIS 119 Cb 1.09 -0.00 -0.17 0.00 1.12 0.00 0.00 29.99 32.04 1bui n HIS 119 CO 0.00 0.00 0.00 -1.50 0.64 0.00 0.00 176.34 175.48 1bui s ILE 120 N -2.00 1.18 0.17 1.59 2.07 0.38 -4.85 121.20 119.74 1bui s ILE 120 Ca -0.00 -0.51 -0.06 0.00 -1.41 0.00 0.00 60.65 58.67 1bui s ILE 120 Cb 0.00 -1.07 -0.05 0.00 0.13 0.00 0.00 42.46 41.48 1bui s ILE 120 CO 0.00 0.36 1.50 0.50 -1.91 0.00 0.00 174.94 175.39 1bui h LYS 121 N 6.91 0.71 -2.01 3.50 3.64 -1.81 -3.26 116.57 124.25 1bui h LYS 121 Ca -0.30 -0.41 -0.55 0.00 -1.27 0.00 0.00 60.65 58.11 1bui h LYS 121 Cb 1.19 0.03 -0.38 0.00 -0.41 0.00 0.00 32.23 32.66 1bui h LYS 121 CO 0.47 1.03 -1.05 0.27 -2.27 0.00 0.00 179.45 177.90 1bui n ASN 122 N -4.01 -0.12 -4.78 4.20 6.94 -1.26 -4.11 115.26 112.13 1bui n ASN 122 Ca -0.03 -2.64 -0.37 0.00 -0.02 0.00 0.00 54.58 51.52 1bui n ASN 122 Cb 0.58 -0.52 -0.04 0.00 -2.36 0.00 0.00 39.78 37.44 1bui n ASN 122 CO 0.00 0.00 0.00 -2.16 -1.03 0.00 0.00 177.26 174.07 1bui s PRO 123 N -0.81 4.18 -0.32 -0.53 0.04 -1.26 -4.82 135.00 131.48 1bui s PRO 123 Ca 0.34 1.62 -0.06 0.00 0.04 0.00 0.00 61.00 62.94 1bui s PRO 123 Cb 0.14 -2.64 0.03 0.00 0.04 0.00 0.00 34.50 32.07 1bui s PRO 123 CO -0.13 -0.15 0.08 0.20 0.04 0.00 0.00 177.00 177.04 1bui s GLY 124 N -1.40 1.81 -1.32 0.56 0.00 -1.26 -2.46 107.32 103.25 1bui s GLY 124 Ca 0.56 -1.62 -0.17 0.00 0.00 0.00 0.00 44.72 43.49 1bui s GLY 124 CO 0.31 0.71 1.92 0.69 0.00 0.00 0.00 173.10 176.74 1bui n PHE 125 N 4.82 4.03 -1.73 1.90 3.01 -0.23 -4.48 117.46 124.77 1bui n PHE 125 Ca -0.13 -2.74 -0.42 0.00 1.01 0.00 0.00 57.45 55.16 1bui n PHE 125 Cb 0.46 -2.57 -0.01 0.00 -0.01 0.00 0.00 39.48 37.35 1bui n PHE 125 CO 0.00 0.00 0.00 0.09 1.01 0.00 0.00 176.76 177.86 1bui n ASN 126 N 8.02 3.32 -3.92 4.37 5.03 -0.84 -3.38 115.26 127.86 1bui n ASN 126 Ca 0.50 1.19 -0.30 0.00 0.87 0.00 0.00 54.58 56.84 1bui n ASN 126 Cb 0.43 -1.54 -0.16 0.00 -1.02 0.00 0.00 39.78 37.49 1bui n ASN 126 CO 0.00 0.00 0.00 -0.22 -1.83 0.00 0.00 177.26 175.21 1bui s LEU 127 N -1.10 2.28 -0.34 3.41 2.96 -0.82 -2.43 118.68 122.64 1bui s LEU 127 Ca 0.58 -1.04 -0.01 0.00 -0.22 0.00 0.00 54.13 53.44 1bui s LEU 127 Cb -0.53 -1.09 0.11 0.00 0.50 0.00 0.00 46.19 45.17 1bui s LEU 127 CO 0.58 -0.23 0.15 -0.63 -1.32 0.00 0.00 176.35 174.91 1bui s ILE 128 N 1.47 0.66 0.08 6.68 1.01 -1.16 -1.66 121.20 128.28 1bui s ILE 128 Ca -0.04 -1.52 -0.06 0.00 0.00 0.00 0.00 60.65 59.02 1bui s ILE 128 Cb -0.18 -1.49 -0.01 0.00 0.01 0.00 0.00 42.46 40.78 1bui s ILE 128 CO -0.07 -0.78 0.13 0.42 0.00 0.00 0.00 174.94 174.65 1bui s THR 129 N 1.41 0.16 -0.01 2.92 -4.23 -1.24 -4.78 115.64 109.87 1bui s THR 129 Ca 0.12 -1.39 -0.21 0.00 -1.18 0.00 0.00 61.69 59.03 1bui s THR 129 Cb -0.19 -1.45 -0.05 0.00 1.34 0.00 0.00 72.50 72.15 1bui s THR 129 CO -0.19 -0.71 0.62 -0.54 -0.54 0.00 0.00 174.62 173.26 1bui s LYS 130 N -3.89 4.35 -0.02 3.99 1.02 -1.26 -2.62 119.74 121.31 1bui s LYS 130 Ca 0.07 0.78 0.08 0.00 0.02 0.00 0.00 55.97 56.92 1bui s LYS 130 Cb 0.06 -3.36 -0.02 0.00 -0.52 0.00 0.00 37.83 33.99 1bui s LYS 130 CO -0.10 0.32 -0.25 0.54 -0.92 0.00 0.00 175.35 174.95 1bui s VAL 131 N -0.04 1.95 -0.47 3.17 0.11 -1.07 -4.35 120.40 119.70 1bui s VAL 131 Ca 0.33 -1.06 -0.27 0.00 -2.93 0.00 0.00 61.98 58.05 1bui s VAL 131 Cb -0.18 -1.62 0.03 0.00 -1.53 0.00 0.00 36.38 33.07 1bui s VAL 131 CO 0.18 0.55 1.03 -0.69 -3.33 0.00 0.00 175.10 172.84 1bui s VAL 132 N -0.56 4.35 0.18 2.04 1.01 -0.01 -1.45 120.40 125.97 1bui s VAL 132 Ca 0.09 0.98 0.07 0.00 0.00 0.00 0.00 61.98 63.12 1bui s VAL 132 Cb -0.10 -4.52 -0.04 0.00 0.00 0.00 0.00 36.38 31.73 1bui s VAL 132 CO -0.01 -0.92 0.01 0.27 0.00 0.00 0.00 175.10 174.45 1bui s ILE 133 N 4.09 3.73 -0.02 2.22 -4.36 -0.70 0.94 121.20 127.09 1bui s ILE 133 Ca 0.42 -1.45 0.05 0.00 -0.26 0.00 0.00 60.65 59.41 1bui s ILE 133 Cb -0.09 -2.89 -0.07 0.00 1.25 0.00 0.00 42.46 40.67 1bui s ILE 133 CO 0.29 -0.14 0.07 -0.62 0.24 0.00 0.00 174.94 174.78 1bui n GLU 134 N -0.21 1.51 -0.07 0.37 -0.58 -0.60 -4.53 120.64 116.53 1bui n GLU 134 Ca -0.09 -0.03 0.00 0.00 -0.42 0.00 0.00 57.16 56.62 1bui n GLU 134 Cb 0.55 -1.12 0.00 0.00 -0.57 0.00 0.00 31.44 30.30 1bui n GLU 134 CO 0.00 0.00 0.00 0.36 -0.48 0.00 0.00 177.13 177.01 1bui n LYS 135 N -1.90 0.00 0.00 3.49 2.85 -1.26 -4.90 118.16 116.45 1bui n LYS 135 Ca -0.04 0.07 0.13 0.00 -1.05 0.00 0.00 58.31 57.42 1bui n LYS 135 Cb 0.36 0.00 0.80 0.00 -0.65 0.00 0.00 35.03 35.54 1bui n LYS 135 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 177.40 178.98