#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2b77 h PRO 11 N 0.00 0.00 -3.11 0.00 0.13 -1.89 -3.44 132.00 123.70 2b77 h PRO 11 Ca 0.00 0.00 -0.34 0.00 -0.87 0.00 0.00 66.00 64.79 2b77 h PRO 11 Cb 0.00 0.00 -0.38 0.00 0.13 0.00 0.00 31.00 30.75 2b77 h PRO 11 CO 0.00 0.00 -0.69 -1.17 -0.23 0.00 0.00 178.00 175.91 2b77 s LEU 12 N -5.06 0.05 0.07 1.56 2.96 -1.26 -0.63 118.68 116.38 2b77 s LEU 12 Ca 0.09 0.07 0.04 0.00 -0.22 0.00 0.00 54.13 54.11 2b77 s LEU 12 Cb 0.10 0.08 -0.03 0.00 0.50 0.00 0.00 46.19 46.83 2b77 s LEU 12 CO 0.60 -0.27 -0.11 -0.04 -1.32 0.00 0.00 176.35 175.21 2b77 s MET 13 N 2.23 0.77 -0.04 1.98 -1.94 -0.39 -4.45 119.30 117.46 2b77 s MET 13 Ca 0.04 -0.98 0.03 0.00 -1.71 0.00 0.00 55.69 53.07 2b77 s MET 13 Cb -0.13 -0.61 0.00 0.00 2.01 0.00 0.00 34.83 36.10 2b77 s MET 13 CO -0.06 0.12 -0.13 0.08 -0.01 0.00 0.00 175.02 175.02 2b77 s VAL 14 N -1.70 1.16 -0.03 -6.03 1.01 -0.60 -0.99 120.40 113.22 2b77 s VAL 14 Ca -0.01 -0.55 0.02 0.00 0.00 0.00 0.00 61.98 61.44 2b77 s VAL 14 Cb -0.08 -1.02 0.01 0.00 0.00 0.00 0.00 36.38 35.29 2b77 s VAL 14 CO 0.01 0.35 -0.09 -0.75 0.00 0.00 0.00 175.10 174.62 2b77 s LYS 15 N 0.24 1.08 -0.06 2.72 2.20 -0.12 -0.76 119.74 125.03 2b77 s LYS 15 Ca -0.06 -0.31 0.01 0.00 -0.36 0.00 0.00 55.97 55.25 2b77 s LYS 15 Cb -0.12 -0.99 0.02 0.00 -1.51 0.00 0.00 37.83 35.24 2b77 s LYS 15 CO 0.02 0.09 -0.08 0.08 -0.36 0.00 0.00 175.35 175.10 2b77 s VAL 16 N 0.31 0.82 0.17 4.02 1.01 -0.00 -0.92 120.40 125.81 2b77 s VAL 16 Ca -0.05 -0.28 0.10 0.00 0.00 0.00 0.00 61.98 61.75 2b77 s VAL 16 Cb -0.10 -0.79 -0.04 0.00 0.00 0.00 0.00 36.38 35.44 2b77 s VAL 16 CO 0.01 0.29 -0.20 -0.76 0.00 0.00 0.00 175.10 174.44 2b77 s LEU 17 N 0.88 2.59 -0.28 3.92 1.43 -0.22 -1.15 118.68 125.85 2b77 s LEU 17 Ca -0.11 -0.73 -0.05 0.00 -1.03 0.00 0.00 54.13 52.20 2b77 s LEU 17 Cb -0.15 -1.35 0.01 0.00 0.03 0.00 0.00 46.19 44.73 2b77 s LEU 17 CO 0.01 0.13 0.04 -0.62 0.23 0.00 0.00 176.35 176.14 2b77 s ASP 18 N -2.55 4.89 0.19 2.29 -1.08 0.56 -0.79 116.67 120.17 2b77 s ASP 18 Ca 0.20 -0.71 0.26 0.00 -0.52 0.00 0.00 52.55 51.78 2b77 s ASP 18 Cb -0.09 -1.82 0.89 0.00 -1.46 0.00 0.00 42.92 40.44 2b77 s ASP 18 CO 0.11 -0.16 1.77 0.00 0.52 0.00 0.00 175.17 177.41 2b77 n ALA 19 N 4.82 2.15 0.03 3.66 0.00 -0.40 -1.43 120.51 129.33 2b77 n ALA 19 Ca -0.15 -0.01 -0.21 0.00 0.00 0.00 0.00 53.44 53.06 2b77 n ALA 19 Cb 0.48 -1.45 -0.14 0.00 0.00 0.00 0.00 19.45 18.34 2b77 n ALA 19 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 2b77 h VAL 20 N 0.00 0.75 0.00 0.00 2.07 -1.95 -3.40 116.25 113.73 2b77 h VAL 20 Ca 0.00 -2.43 0.00 0.00 0.82 0.00 0.00 66.70 65.09 2b77 h VAL 20 Cb 0.62 2.60 0.00 0.00 -1.52 0.00 0.00 31.29 32.99 2b77 h VAL 20 CO 0.00 0.87 -1.50 0.54 0.02 0.00 0.00 177.57 177.50 2b77 n ARG 21 N -3.50 0.41 -2.88 1.57 1.74 -1.24 -5.01 116.66 107.75 2b77 n ARG 21 Ca -0.28 -0.10 -0.11 0.00 -0.77 0.00 0.00 57.85 56.59 2b77 n ARG 21 Cb 1.06 -1.49 0.06 0.00 -1.02 0.00 0.00 32.46 31.06 2b77 n ARG 21 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2b77 n GLY 22 N 1.38 -0.12 3.20 -0.13 0.00 -0.51 -5.03 105.19 103.98 2b77 n GLY 22 Ca -0.00 -0.05 -0.09 0.00 0.00 0.00 0.00 46.02 45.88 2b77 n GLY 22 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2b77 s SER 23 N -3.79 0.13 0.60 1.61 0.01 -1.10 -5.01 113.70 106.14 2b77 s SER 23 Ca 0.04 -0.65 -0.20 0.00 1.31 0.00 0.00 55.95 56.45 2b77 s SER 23 Cb -0.01 0.34 -0.04 0.00 0.21 0.00 0.00 66.02 66.53 2b77 s SER 23 CO 0.47 -0.72 1.23 -0.81 0.41 0.00 0.00 173.24 173.81 2b77 n PRO 24 N -0.05 1.26 -3.05 12.44 -0.04 -1.26 -0.32 135.00 143.98 2b77 n PRO 24 Ca -0.15 0.48 -0.44 0.00 -0.04 0.00 0.00 63.50 63.35 2b77 n PRO 24 Cb 0.62 -2.44 -0.05 0.00 -0.04 0.00 0.00 33.50 31.59 2b77 n PRO 24 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2b77 s ALA 25 N -1.38 3.32 0.09 0.55 0.00 -0.30 -4.57 121.76 119.47 2b77 s ALA 25 Ca 0.77 -1.73 -0.13 0.00 0.00 0.00 0.00 51.96 50.86 2b77 s ALA 25 Cb -0.41 -3.51 -0.06 0.00 0.00 0.00 0.00 23.12 19.14 2b77 s ALA 25 CO 0.45 -2.22 0.47 0.42 0.00 0.00 0.00 175.76 174.88 2b77 s ILE 26 N 3.05 4.97 -1.49 0.00 1.01 -1.26 -4.33 121.20 123.15 2b77 s ILE 26 Ca 0.18 0.73 -0.02 0.00 0.00 0.00 0.00 60.65 61.54 2b77 s ILE 26 Cb -0.18 -3.71 0.00 0.00 0.01 0.00 0.00 42.46 38.58 2b77 s ILE 26 CO 0.12 0.35 0.25 0.59 0.00 0.00 0.00 174.94 176.26 2b77 n ASN 27 N 1.11 -5.48 -4.70 3.58 3.02 -0.33 -4.94 115.26 107.52 2b77 n ASN 27 Ca -0.08 -0.13 -0.41 0.00 -0.03 0.00 0.00 54.58 53.93 2b77 n ASN 27 Cb 0.52 -4.44 -0.04 0.00 -0.61 0.00 0.00 39.78 35.21 2b77 n ASN 27 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 2b77 s VAL 28 N -3.01 4.94 0.24 2.41 1.01 -1.26 -4.76 120.40 119.97 2b77 s VAL 28 Ca 0.13 1.72 -0.30 0.00 0.00 0.00 0.00 61.98 63.53 2b77 s VAL 28 Cb -0.06 -4.17 -0.09 0.00 0.00 0.00 0.00 36.38 32.07 2b77 s VAL 28 CO 0.16 0.15 1.05 0.00 0.00 0.00 0.00 175.10 176.46 2b77 s ALA 29 N 1.26 3.38 -0.04 5.51 0.00 -1.26 -1.36 121.76 129.24 2b77 s ALA 29 Ca 0.43 0.79 0.01 0.00 0.00 0.00 0.00 51.96 53.20 2b77 s ALA 29 Cb -0.18 -3.30 0.02 0.00 0.00 0.00 0.00 23.12 19.66 2b77 s ALA 29 CO 0.20 -0.06 -0.05 0.08 0.00 0.00 0.00 175.76 175.92 2b77 s VAL 30 N -0.96 0.59 -0.10 0.00 1.01 -0.07 -0.85 120.40 120.02 2b77 s VAL 30 Ca 0.44 -0.16 0.04 0.00 0.00 0.00 0.00 61.98 62.30 2b77 s VAL 30 Cb -0.30 -0.60 -0.00 0.00 0.00 0.00 0.00 36.38 35.49 2b77 s VAL 30 CO 0.37 0.23 -0.24 -1.00 0.00 0.00 0.00 175.10 174.46 2b77 s HIS 31 N 0.83 2.55 -0.11 5.22 3.76 -0.39 -1.40 115.29 125.75 2b77 s HIS 31 Ca -0.12 -1.00 0.00 0.00 -0.15 0.00 0.00 55.06 53.80 2b77 s HIS 31 Cb -0.14 -1.70 -0.02 0.00 1.11 0.00 0.00 32.58 31.83 2b77 s HIS 31 CO 0.01 -0.39 -0.12 0.08 -0.85 0.00 0.00 174.74 173.47 2b77 s VAL 32 N 0.28 3.18 0.17 -0.90 1.01 0.11 -0.05 120.40 124.19 2b77 s VAL 32 Ca -0.17 -0.63 0.08 0.00 0.00 0.00 0.00 61.98 61.26 2b77 s VAL 32 Cb -0.17 -2.32 -0.04 0.00 0.00 0.00 0.00 36.38 33.84 2b77 s VAL 32 CO 0.08 0.54 -0.17 -0.36 0.00 0.00 0.00 175.10 175.19 2b77 s PHE 33 N 0.06 1.74 -0.05 5.22 0.40 0.11 -0.47 117.98 125.00 2b77 s PHE 33 Ca -0.04 -0.50 0.04 0.00 -0.60 0.00 0.00 56.93 55.82 2b77 s PHE 33 Cb -0.14 -0.86 0.00 0.00 0.51 0.00 0.00 43.02 42.53 2b77 s PHE 33 CO 0.04 0.32 -0.15 0.50 0.70 0.00 0.00 175.22 176.63 2b77 s ARG 34 N -2.98 1.67 0.06 0.44 3.52 0.53 -1.03 118.95 121.16 2b77 s ARG 34 Ca 0.16 -0.53 -0.31 0.00 -0.13 0.00 0.00 55.73 54.93 2b77 s ARG 34 Cb -0.04 -1.44 -0.06 0.00 -1.56 0.00 0.00 34.95 31.85 2b77 s ARG 34 CO 0.06 0.18 1.31 0.21 -0.81 0.00 0.00 175.30 176.25 2b77 s LYS 35 N 0.18 4.36 0.00 5.12 2.20 -0.17 -0.67 119.74 130.75 2b77 s LYS 35 Ca -0.06 1.91 0.21 0.00 -0.36 0.00 0.00 55.97 57.67 2b77 s LYS 35 Cb -0.12 -3.37 0.54 0.00 -1.51 0.00 0.00 37.83 33.37 2b77 s LYS 35 CO 0.02 -0.40 1.45 0.00 -0.36 0.00 0.00 175.35 176.06 2b77 n ALA 36 N 4.32 2.45 0.00 3.13 0.00 0.44 -4.71 120.51 126.13 2b77 n ALA 36 Ca 0.11 -0.84 0.00 0.00 0.00 0.00 0.00 53.44 52.71 2b77 n ALA 36 Cb 0.44 -0.96 0.00 0.00 0.00 0.00 0.00 19.45 18.93 2b77 n ALA 36 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2b77 n ALA 37 N 1.03 0.00 0.62 0.00 0.00 -1.26 -4.17 120.51 116.73 2b77 n ALA 37 Ca 0.18 0.00 0.07 0.00 0.00 0.00 0.00 53.44 53.69 2b77 n ALA 37 Cb 0.48 -0.05 0.34 0.00 0.00 0.00 0.00 19.45 20.22 2b77 n ALA 37 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 2b77 n ASP 38 N 0.00 0.00 0.00 0.00 3.85 -1.26 -4.92 116.55 114.22 2b77 n ASP 38 Ca 0.00 0.17 0.00 0.00 -0.71 0.00 0.00 54.79 54.25 2b77 n ASP 38 Cb 0.00 -0.33 0.00 0.00 -1.35 0.00 0.00 41.12 39.44 2b77 n ASP 38 CO 0.00 0.00 0.00 -0.67 -1.01 0.00 0.00 177.20 175.52 2b77 n ASP 39 N -1.33 -2.52 -4.95 -1.12 2.03 -1.26 -5.04 116.55 102.37 2b77 n ASP 39 Ca 0.06 0.00 -0.25 0.00 0.52 0.00 0.00 54.79 55.12 2b77 n ASP 39 Cb 0.12 -0.42 -0.03 0.00 -0.72 0.00 0.00 41.12 40.07 2b77 n ASP 39 CO 0.00 0.00 0.00 0.42 -1.92 0.00 0.00 177.20 175.70 2b77 s THR 40 N -2.00 5.29 -0.15 5.18 -4.23 -1.26 -4.86 115.64 113.61 2b77 s THR 40 Ca 0.00 -0.69 -0.28 0.00 -1.18 0.00 0.00 61.69 59.54 2b77 s THR 40 Cb 0.00 -3.76 -0.01 0.00 1.34 0.00 0.00 72.50 70.07 2b77 s THR 40 CO 0.00 -0.15 0.96 0.26 -0.54 0.00 0.00 174.62 175.14 2b77 s TRP 41 N -1.81 3.45 -0.11 3.99 0.52 -1.26 -0.42 118.94 123.30 2b77 s TRP 41 Ca 0.35 1.46 -0.05 0.00 0.02 0.00 0.00 56.10 57.87 2b77 s TRP 41 Cb -0.11 -3.15 -0.04 0.00 -1.15 0.00 0.00 33.47 29.03 2b77 s TRP 41 CO 0.29 -0.28 0.10 -1.21 0.02 0.00 0.00 176.95 175.87 2b77 s GLU 42 N 2.30 3.31 0.31 4.98 2.02 0.16 -4.90 118.70 126.87 2b77 s GLU 42 Ca 0.44 -0.22 -0.29 0.00 0.02 0.00 0.00 54.97 54.92 2b77 s GLU 42 Cb -0.17 -3.07 -0.12 0.00 0.10 0.00 0.00 34.13 30.87 2b77 s GLU 42 CO 0.14 0.75 1.48 -2.30 0.02 0.00 0.00 175.26 175.35 2b77 n PRO 43 N 1.99 2.45 0.00 0.39 -0.02 -1.26 -0.35 135.00 138.20 2b77 n PRO 43 Ca -0.19 0.87 0.00 0.00 -2.02 0.00 0.00 63.50 62.15 2b77 n PRO 43 Cb 0.55 -2.57 0.00 0.00 -0.02 0.00 0.00 33.50 31.45 2b77 n PRO 43 CO 0.00 0.00 0.00 0.34 1.98 0.00 0.00 175.50 177.82 2b77 n PHE 44 N 1.37 0.00 -3.51 6.00 7.35 0.39 -4.75 117.46 124.31 2b77 n PHE 44 Ca 0.07 0.00 -0.11 0.00 -0.76 0.00 0.00 57.45 56.65 2b77 n PHE 44 Cb 0.36 0.04 -0.03 0.00 0.35 0.00 0.00 39.48 40.20 2b77 n PHE 44 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 2b77 s ALA 45 N -1.99 -1.81 0.18 3.13 0.00 -0.90 -5.01 121.76 115.36 2b77 s ALA 45 Ca 0.00 1.12 -0.12 0.00 0.00 0.00 0.00 51.96 52.96 2b77 s ALA 45 Cb 0.00 0.15 0.00 0.00 0.00 0.00 0.00 23.12 23.28 2b77 s ALA 45 CO 0.00 -0.57 0.39 -1.54 0.00 0.00 0.00 175.76 174.04 2b77 s SER 46 N -2.02 -0.07 0.01 0.00 1.04 -1.26 0.06 113.70 111.46 2b77 s SER 46 Ca 0.01 -0.75 -0.16 0.00 0.48 0.00 0.00 55.95 55.53 2b77 s SER 46 Cb -0.01 0.50 0.05 0.00 0.10 0.00 0.00 66.02 66.67 2b77 s SER 46 CO -0.05 -0.98 0.74 0.61 0.98 0.00 0.00 173.24 174.54 2b77 n GLY 47 N -0.28 0.49 3.18 7.32 0.00 -0.49 -4.98 105.19 110.43 2b77 n GLY 47 Ca -0.08 -0.98 -0.24 0.00 0.00 0.00 0.00 46.02 44.72 2b77 n GLY 47 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2b77 s LYS 48 N -2.01 1.29 0.58 1.61 1.02 -1.26 -0.90 119.74 120.07 2b77 s LYS 48 Ca 0.17 -0.74 -0.19 0.00 0.02 0.00 0.00 55.97 55.23 2b77 s LYS 48 Cb -0.01 -1.30 -0.04 0.00 -0.52 0.00 0.00 37.83 35.96 2b77 s LYS 48 CO 0.00 0.34 1.20 0.95 -0.92 0.00 0.00 175.35 176.93 2b77 s THR 49 N -0.61 2.70 0.80 2.17 -4.23 -0.47 -4.74 115.64 111.26 2b77 s THR 49 Ca 0.06 0.44 -0.12 0.00 -1.18 0.00 0.00 61.69 60.88 2b77 s THR 49 Cb -0.07 -3.18 0.18 0.00 1.34 0.00 0.00 72.50 70.77 2b77 s THR 49 CO 0.00 -0.09 1.08 -1.54 -0.54 0.00 0.00 174.62 173.54 2b77 n SER 50 N -1.50 0.19 0.27 3.99 3.41 0.11 -1.18 113.62 118.92 2b77 n SER 50 Ca 0.13 -1.46 0.19 0.00 -0.26 0.00 0.00 58.87 57.47 2b77 n SER 50 Cb 0.50 -0.82 0.96 0.00 -0.26 0.00 0.00 64.21 64.59 2b77 n SER 50 CO 0.00 0.00 0.00 -0.33 -0.16 0.00 0.00 175.04 174.55 2b77 h GLU 51 N 0.00 0.00 -0.35 4.33 4.39 -1.94 -0.57 114.58 120.44 2b77 h GLU 51 Ca -0.35 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.35 2b77 h GLU 51 Cb 0.99 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.64 2b77 h GLU 51 CO 0.26 0.00 0.00 -1.13 -1.16 0.00 0.00 179.01 176.98 2b77 n SER 52 N -2.81 2.83 -0.55 1.42 3.41 -1.26 -4.79 113.62 111.86 2b77 n SER 52 Ca -0.02 -1.91 -0.07 0.00 -0.26 0.00 0.00 58.87 56.61 2b77 n SER 52 Cb 0.09 -0.23 -0.03 0.00 -0.26 0.00 0.00 64.21 63.78 2b77 n SER 52 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2b77 n GLY 53 N 1.37 0.93 3.65 5.00 0.00 -0.22 -4.80 105.19 111.11 2b77 n GLY 53 Ca 0.18 -0.58 -0.29 0.00 0.00 0.00 0.00 46.02 45.33 2b77 n GLY 53 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2b77 s GLU 54 N -2.46 2.39 -0.16 1.61 2.02 -1.26 -0.82 118.70 120.02 2b77 s GLU 54 Ca 0.00 -0.96 -0.02 0.00 0.02 0.00 0.00 54.97 54.01 2b77 s GLU 54 Cb 0.00 -2.43 0.05 0.00 0.10 0.00 0.00 34.13 31.85 2b77 s GLU 54 CO 0.00 0.51 0.01 -1.17 0.02 0.00 0.00 175.26 174.63 2b77 s LEU 55 N -2.45 1.16 0.50 1.80 2.96 0.06 -0.71 118.68 122.00 2b77 s LEU 55 Ca 0.25 -0.63 0.03 0.00 -0.22 0.00 0.00 54.13 53.56 2b77 s LEU 55 Cb -0.11 -0.64 -0.01 0.00 0.50 0.00 0.00 46.19 45.93 2b77 s LEU 55 CO 0.17 -0.25 0.11 -1.00 -1.32 0.00 0.00 176.35 174.06 2b77 s HIS 56 N 1.83 1.92 -1.02 5.38 3.76 -1.26 -1.56 115.29 124.34 2b77 s HIS 56 Ca 0.01 -0.87 0.00 0.00 -0.15 0.00 0.00 55.06 54.04 2b77 s HIS 56 Cb -0.16 -1.73 0.00 0.00 1.11 0.00 0.00 32.58 31.81 2b77 s HIS 56 CO -0.07 0.07 0.00 0.41 -0.85 0.00 0.00 174.74 174.30 2b77 n GLY 57 N -1.36 0.38 0.14 -2.22 0.00 -1.26 -4.91 105.19 95.96 2b77 n GLY 57 Ca -0.12 -0.46 -0.10 0.00 0.00 0.00 0.00 46.02 45.33 2b77 n GLY 57 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 2b77 h LEU 58 N 0.00 0.38 -7.85 0.99 3.38 -1.89 -3.48 115.31 106.84 2b77 h LEU 58 Ca -0.25 -0.30 0.04 0.00 0.09 0.00 0.00 57.88 57.46 2b77 h LEU 58 Cb 1.02 -0.12 -0.07 0.00 0.09 0.00 0.00 40.66 41.59 2b77 h LEU 58 CO 0.31 1.09 0.17 0.28 0.09 0.00 0.00 178.44 180.39 2b77 s THR 59 N -3.27 0.00 0.30 0.22 -1.32 -1.26 -4.76 115.64 105.56 2b77 s THR 59 Ca -0.04 -0.87 0.07 0.00 -1.21 0.00 0.00 61.69 59.63 2b77 s THR 59 Cb 0.10 -1.83 -0.03 0.00 -1.51 0.00 0.00 72.50 69.23 2b77 s THR 59 CO 0.84 -0.01 0.30 0.42 -2.21 0.00 0.00 174.62 173.96 2b77 s THR 60 N -3.90 4.09 0.30 5.08 -4.23 -1.26 -4.61 115.64 111.11 2b77 s THR 60 Ca 0.10 -1.28 -0.01 0.00 -1.18 0.00 0.00 61.69 59.32 2b77 s THR 60 Cb -0.04 -3.36 0.27 0.00 1.34 0.00 0.00 72.50 70.70 2b77 s THR 60 CO 0.03 -0.24 1.96 -0.08 -0.54 0.00 0.00 174.62 175.75 2b77 h GLU 61 N 1.25 1.07 -0.68 3.99 4.57 -2.00 -0.69 114.58 122.09 2b77 h GLU 61 Ca -0.47 -0.06 0.00 0.00 -1.18 0.00 0.00 59.36 57.65 2b77 h GLU 61 Cb 1.25 -0.24 -0.03 0.00 -0.16 0.00 0.00 28.75 29.56 2b77 h GLU 61 CO 0.58 0.71 0.43 0.93 -1.18 0.00 0.00 179.01 180.48 2b77 h GLU 62 N 1.10 0.92 0.00 1.92 5.08 -2.03 -2.98 114.58 118.58 2b77 h GLU 62 Ca 0.32 -0.07 -0.09 0.00 -1.00 0.00 0.00 59.36 58.51 2b77 h GLU 62 Cb -0.07 -0.20 -0.01 0.00 0.50 0.00 0.00 28.75 28.97 2b77 h GLU 62 CO -0.08 0.64 -0.55 0.93 -1.00 0.00 0.00 179.01 178.95 2b77 h GLU 63 N 0.93 0.00 -4.30 2.33 4.39 -1.87 -3.40 114.58 112.66 2b77 h GLU 63 Ca 0.25 0.00 -0.74 0.00 0.34 0.00 0.00 59.36 59.21 2b77 h GLU 63 Cb -0.06 0.00 -0.14 0.00 -0.10 0.00 0.00 28.75 28.45 2b77 h GLU 63 CO -0.05 0.37 1.88 0.34 -1.16 0.00 0.00 179.01 180.39 2b77 n PHE 64 N -3.14 4.00 -2.05 4.33 7.35 -0.30 -4.96 117.46 122.69 2b77 n PHE 64 Ca 0.01 -3.04 -0.29 0.00 -0.76 0.00 0.00 57.45 53.37 2b77 n PHE 64 Cb 0.70 -2.18 0.18 0.00 0.35 0.00 0.00 39.48 38.54 2b77 n PHE 64 CO 0.00 0.00 0.00 0.14 -0.76 0.00 0.00 176.76 176.14 2b77 s VAL 65 N 1.53 2.02 0.38 -2.13 -7.23 -1.26 -4.94 120.40 108.76 2b77 s VAL 65 Ca 0.43 -0.10 -0.28 0.00 -1.81 0.00 0.00 61.98 60.22 2b77 s VAL 65 Cb 0.04 -2.91 -0.11 0.00 0.56 0.00 0.00 36.38 33.96 2b77 s VAL 65 CO 0.00 0.00 1.47 1.21 -0.31 0.00 0.00 175.10 177.47 2b77 n GLU 66 N -3.64 2.62 0.00 4.82 0.00 -1.26 -4.77 120.64 118.41 2b77 n GLU 66 Ca 0.16 0.92 0.00 0.00 0.00 0.00 0.00 57.16 58.24 2b77 n GLU 66 Cb 0.60 -2.64 0.00 0.00 0.00 0.00 0.00 31.44 29.39 2b77 n GLU 66 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 2b77 n GLY 67 N 0.48 -0.53 3.63 8.31 0.00 -0.95 -5.00 105.19 111.13 2b77 n GLY 67 Ca 0.02 -1.09 -0.36 0.00 0.00 0.00 0.00 46.02 44.59 2b77 n GLY 67 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2b77 s ILE 68 N -2.00 5.13 0.08 -0.61 1.01 -1.26 -0.94 121.20 122.61 2b77 s ILE 68 Ca 0.00 0.10 0.09 0.00 0.00 0.00 0.00 60.65 60.84 2b77 s ILE 68 Cb 0.00 -3.38 -0.03 0.00 0.01 0.00 0.00 42.46 39.05 2b77 s ILE 68 CO 0.00 0.36 -0.23 -0.31 0.00 0.00 0.00 174.94 174.77 2b77 s TYR 69 N 1.01 2.42 -0.17 3.97 1.51 0.10 -1.00 117.35 125.18 2b77 s TYR 69 Ca 0.06 -0.34 0.01 0.00 -1.01 0.00 0.00 57.07 55.80 2b77 s TYR 69 Cb -0.14 -1.36 0.02 0.00 -0.11 0.00 0.00 41.96 40.37 2b77 s TYR 69 CO 0.04 0.27 -0.18 0.21 -1.11 0.00 0.00 175.55 174.77 2b77 s LYS 70 N -1.68 2.80 -0.34 -0.62 2.20 -0.19 -1.16 119.74 120.75 2b77 s LYS 70 Ca 0.14 -0.76 -0.10 0.00 -0.36 0.00 0.00 55.97 54.89 2b77 s LYS 70 Cb -0.10 -2.45 0.01 0.00 -1.51 0.00 0.00 37.83 33.77 2b77 s LYS 70 CO 0.05 -0.22 0.18 0.08 -0.36 0.00 0.00 175.35 175.08 2b77 s VAL 71 N 1.34 4.61 -0.26 4.02 1.01 0.32 -0.71 120.40 130.73 2b77 s VAL 71 Ca 0.05 -0.59 -0.07 0.00 0.00 0.00 0.00 61.98 61.37 2b77 s VAL 71 Cb -0.13 -3.44 -0.02 0.00 0.00 0.00 0.00 36.38 32.79 2b77 s VAL 71 CO -0.12 -0.05 0.07 -0.70 0.00 0.00 0.00 175.10 174.30 2b77 s GLU 72 N 1.59 3.52 -0.25 2.72 2.12 0.93 -0.70 118.70 128.63 2b77 s GLU 72 Ca 0.04 -0.57 -0.09 0.00 0.36 0.00 0.00 54.97 54.71 2b77 s GLU 72 Cb -0.18 -3.34 -0.04 0.00 0.26 0.00 0.00 34.13 30.84 2b77 s GLU 72 CO 0.06 -0.25 0.12 0.42 -0.54 0.00 0.00 175.26 175.08 2b77 s ILE 73 N 1.59 4.85 -1.33 -3.70 1.01 0.13 -1.26 121.20 122.49 2b77 s ILE 73 Ca 0.06 0.01 -0.14 0.00 0.00 0.00 0.00 60.65 60.57 2b77 s ILE 73 Cb -0.16 -3.28 0.10 0.00 0.01 0.00 0.00 42.46 39.14 2b77 s ILE 73 CO 0.03 0.32 1.87 0.47 0.00 0.00 0.00 174.94 177.63 2b77 n ASP 74 N 4.74 4.68 -0.21 3.58 10.43 -0.03 -1.21 116.55 138.54 2b77 n ASP 74 Ca -0.15 -2.95 -0.05 0.00 2.57 0.00 0.00 54.79 54.21 2b77 n ASP 74 Cb 0.52 -1.63 0.11 0.00 1.84 0.00 0.00 41.12 41.95 2b77 n ASP 74 CO 0.00 0.00 0.00 0.71 -1.07 0.00 0.00 177.20 176.84 2b77 h THR 75 N 4.52 1.25 -0.07 -3.53 1.35 -1.87 -2.85 112.91 111.71 2b77 h THR 75 Ca 0.45 -0.91 -0.00 0.00 -0.55 0.00 0.00 66.41 65.40 2b77 h THR 75 Cb 0.75 0.58 -0.00 0.00 -1.73 0.00 0.00 68.15 67.74 2b77 h THR 75 CO 1.59 0.35 0.03 0.50 -0.25 0.00 0.00 175.52 177.74 2b77 h LYS 76 N 0.97 0.10 -0.14 4.72 3.64 -1.72 -1.15 116.57 122.99 2b77 h LYS 76 Ca 0.21 -0.02 -0.01 0.00 -1.27 0.00 0.00 60.65 59.56 2b77 h LYS 76 Cb 0.34 -0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 32.13 2b77 h LYS 76 CO -0.00 0.20 0.02 0.77 -2.27 0.00 0.00 179.45 178.17 2b77 h SER 77 N -0.03 0.17 0.13 4.20 0.02 -1.82 -0.49 113.55 115.73 2b77 h SER 77 Ca 0.02 -0.01 -0.01 0.00 -0.84 0.00 0.00 61.79 60.95 2b77 h SER 77 Cb 0.13 -0.04 0.00 0.00 0.14 0.00 0.00 62.40 62.63 2b77 h SER 77 CO -0.00 0.19 -0.06 0.22 -1.14 0.00 0.00 176.83 176.03 2b77 h TYR 78 N 0.19 -0.17 -0.28 3.45 3.20 -1.18 -0.62 116.97 121.56 2b77 h TYR 78 Ca 0.05 -0.00 -0.15 0.00 3.14 0.00 0.00 58.73 61.77 2b77 h TYR 78 Cb 0.10 0.06 -0.01 0.00 1.54 0.00 0.00 36.73 38.41 2b77 h TYR 78 CO 0.00 0.09 -0.42 -1.49 -1.64 0.00 0.00 178.16 174.70 2b77 h TRP 79 N -0.42 0.83 -0.57 -3.82 4.06 -0.87 -2.85 115.95 112.32 2b77 h TRP 79 Ca -0.02 -0.25 -0.10 0.00 2.06 0.00 0.00 58.89 60.58 2b77 h TRP 79 Cb 0.33 -0.17 -0.02 0.00 -1.00 0.00 0.00 29.16 28.30 2b77 h TRP 79 CO 0.00 1.00 -0.02 0.87 -3.56 0.00 0.00 178.44 176.73 2b77 h LYS 80 N 0.56 1.02 -0.00 0.49 1.57 -0.92 -1.85 116.57 117.44 2b77 h LYS 80 Ca 0.04 -0.33 0.00 0.00 -1.87 0.00 0.00 60.65 58.49 2b77 h LYS 80 Cb 0.96 -0.09 -0.00 0.00 0.08 0.00 0.00 32.23 33.18 2b77 h LYS 80 CO 0.09 1.02 0.00 0.00 -0.57 0.00 0.00 179.45 179.99 2b77 h ALA 81 N 0.96 1.90 -0.29 3.86 0.00 -0.96 1.14 119.26 125.87 2b77 h ALA 81 Ca 0.16 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.07 2b77 h ALA 81 Cb 0.57 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.36 2b77 h ALA 81 CO 0.03 -0.01 0.00 1.28 0.00 0.00 0.00 179.25 180.56 2b77 n LEU 82 N -4.38 1.72 0.00 0.00 4.77 -0.79 -4.92 117.00 113.40 2b77 n LEU 82 Ca -0.03 -0.86 0.00 0.00 -0.03 0.00 0.00 56.01 55.09 2b77 n LEU 82 Cb 0.09 -0.24 0.00 0.00 -2.33 0.00 0.00 43.42 40.95 2b77 n LEU 82 CO 0.32 0.40 0.00 0.61 -1.33 0.00 0.00 177.39 177.39 2b77 n GLY 83 N 0.90 0.48 3.44 -0.72 0.00 0.39 -5.05 105.19 104.64 2b77 n GLY 83 Ca 0.10 -0.73 -0.21 0.00 0.00 0.00 0.00 46.02 45.18 2b77 n GLY 83 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 2b77 s ILE 84 N -2.00 1.18 -0.45 -0.61 -4.36 -0.77 -4.98 121.20 109.22 2b77 s ILE 84 Ca 0.00 -2.01 -0.08 0.00 -0.26 0.00 0.00 60.65 58.30 2b77 s ILE 84 Cb 0.00 -2.76 0.11 0.00 1.25 0.00 0.00 42.46 41.06 2b77 s ILE 84 CO 0.00 -0.03 0.30 -0.55 0.24 0.00 0.00 174.94 174.90 2b77 s SER 85 N -3.47 5.60 0.77 4.36 0.15 -1.26 -2.79 113.70 117.04 2b77 s SER 85 Ca 0.36 -1.83 -0.06 0.00 0.70 0.00 0.00 55.95 55.12 2b77 s SER 85 Cb 0.08 -1.97 0.12 0.00 -1.71 0.00 0.00 66.02 62.55 2b77 s SER 85 CO 0.15 -0.63 1.07 -2.16 1.20 0.00 0.00 173.24 172.87 2b77 s PRO 86 N 1.33 1.63 -0.12 5.44 0.04 -1.26 -5.04 135.00 137.02 2b77 s PRO 86 Ca 0.05 -0.66 -0.19 0.00 0.04 0.00 0.00 61.00 60.25 2b77 s PRO 86 Cb -0.25 -2.17 -0.17 0.00 0.04 0.00 0.00 34.50 31.95 2b77 s PRO 86 CO -0.01 -1.58 0.54 0.35 0.04 0.00 0.00 177.00 176.34 2b77 h PHE 87 N -0.79 -0.01 -3.93 0.56 3.57 -1.62 -3.47 116.94 111.24 2b77 h PHE 87 Ca -0.41 -0.00 -0.49 0.00 3.53 0.00 0.00 57.97 60.60 2b77 h PHE 87 Cb 1.28 0.00 0.01 0.00 2.79 0.00 0.00 35.95 40.03 2b77 h PHE 87 CO -0.24 0.62 0.24 -1.01 -2.23 0.00 0.00 178.31 175.69 2b77 s HIS 88 N -2.12 3.48 0.06 0.41 3.76 -1.26 -4.98 115.29 114.64 2b77 s HIS 88 Ca -0.13 1.22 -0.15 0.00 -0.15 0.00 0.00 55.06 55.85 2b77 s HIS 88 Cb -0.02 -2.59 -0.22 0.00 1.11 0.00 0.00 32.58 30.86 2b77 s HIS 88 CO 0.46 -0.25 1.18 0.93 -0.85 0.00 0.00 174.74 176.21 2b77 h GLU 89 N 0.99 0.64 -2.23 1.40 4.39 -1.98 -3.37 114.58 114.43 2b77 h GLU 89 Ca -0.47 -0.67 0.20 0.00 0.34 0.00 0.00 59.36 58.77 2b77 h GLU 89 Cb 1.19 0.18 -0.08 0.00 -0.10 0.00 0.00 28.75 29.94 2b77 h GLU 89 CO 0.63 1.26 0.57 -3.38 -1.16 0.00 0.00 179.01 176.93 2b77 s HIS 90 N -3.35 -0.07 -0.15 4.33 -3.43 -1.26 -3.25 115.29 108.12 2b77 s HIS 90 Ca -0.11 -0.23 0.00 0.00 -0.80 0.00 0.00 55.06 53.93 2b77 s HIS 90 Cb 0.06 0.64 -0.01 0.00 -1.43 0.00 0.00 32.58 31.84 2b77 s HIS 90 CO 0.90 -0.75 -0.15 0.00 -2.00 0.00 0.00 174.74 172.74 2b77 s ALA 91 N -2.87 2.52 -0.03 -1.38 0.00 -0.35 -4.89 121.76 114.76 2b77 s ALA 91 Ca 0.15 -1.00 0.06 0.00 0.00 0.00 0.00 51.96 51.17 2b77 s ALA 91 Cb -0.01 -1.21 -0.02 0.00 0.00 0.00 0.00 23.12 21.88 2b77 s ALA 91 CO 0.02 0.06 -0.20 -1.21 0.00 0.00 0.00 175.76 174.43 2b77 s GLU 92 N 0.67 2.30 -0.17 0.00 8.01 -1.26 0.21 118.70 128.46 2b77 s GLU 92 Ca -0.07 -0.82 0.00 0.00 0.01 0.00 0.00 54.97 54.09 2b77 s GLU 92 Cb -0.16 -2.20 0.04 0.00 -4.31 0.00 0.00 34.13 27.50 2b77 s GLU 92 CO 0.02 0.59 -0.09 0.08 0.01 0.00 0.00 175.26 175.88 2b77 s VAL 93 N -0.67 1.36 -0.11 2.63 1.01 0.13 -4.97 120.40 119.78 2b77 s VAL 93 Ca 0.11 -0.72 0.03 0.00 0.00 0.00 0.00 61.98 61.40 2b77 s VAL 93 Cb -0.10 -1.44 -0.00 0.00 0.00 0.00 0.00 36.38 34.84 2b77 s VAL 93 CO -0.00 0.22 -0.22 -0.69 0.00 0.00 0.00 175.10 174.41 2b77 s VAL 94 N 1.54 2.19 0.05 2.92 1.01 -1.26 -0.52 120.40 126.33 2b77 s VAL 94 Ca 0.01 -0.97 -0.21 0.00 0.00 0.00 0.00 61.98 60.82 2b77 s VAL 94 Cb -0.15 -1.85 0.05 0.00 0.00 0.00 0.00 36.38 34.43 2b77 s VAL 94 CO -0.08 0.55 0.49 0.72 0.00 0.00 0.00 175.10 176.78 2b77 s PHE 95 N 0.43 -0.37 0.11 5.22 -0.12 -0.31 -4.98 117.98 117.96 2b77 s PHE 95 Ca -0.16 0.37 -0.26 0.00 -0.05 0.00 0.00 56.93 56.83 2b77 s PHE 95 Cb -0.17 0.31 -0.07 0.00 -0.63 0.00 0.00 43.02 42.46 2b77 s PHE 95 CO 0.07 -0.63 0.79 0.99 -0.05 0.00 0.00 175.22 176.38 2b77 s THR 96 N -2.58 4.53 0.05 -4.49 2.01 -1.26 0.00 115.64 113.90 2b77 s THR 96 Ca -0.05 1.71 0.06 0.00 0.31 0.00 0.00 61.69 63.72 2b77 s THR 96 Cb -0.01 -4.15 -0.02 0.00 0.01 0.00 0.00 72.50 68.33 2b77 s THR 96 CO -0.03 0.44 -0.17 0.00 -0.69 0.00 0.00 174.62 174.17 2b77 s ALA 97 N -0.58 1.46 -1.48 7.40 0.00 -0.12 -4.82 121.76 123.62 2b77 s ALA 97 Ca 0.38 -0.96 0.00 0.00 0.00 0.00 0.00 51.96 51.38 2b77 s ALA 97 Cb -0.22 -0.25 0.00 0.00 0.00 0.00 0.00 23.12 22.65 2b77 s ALA 97 CO 0.25 0.30 0.00 0.09 0.00 0.00 0.00 175.76 176.40 2b77 n ASN 98 N 1.78 -4.69 -0.14 0.00 5.03 -1.26 -2.24 115.26 113.74 2b77 n ASN 98 Ca -0.18 0.27 0.14 0.00 0.87 0.00 0.00 54.58 55.68 2b77 n ASN 98 Cb 0.54 -3.57 0.59 0.00 -1.02 0.00 0.00 39.78 36.32 2b77 n ASN 98 CO 0.00 0.00 0.00 -0.90 -1.83 0.00 0.00 177.26 174.53 2b77 n ASP 99 N -0.48 0.56 -2.21 6.41 3.85 -1.26 -2.57 116.55 120.85 2b77 n ASP 99 Ca -0.15 -0.67 -0.20 0.00 -0.71 0.00 0.00 54.79 53.05 2b77 n ASP 99 Cb 0.52 -0.04 0.02 0.00 -1.35 0.00 0.00 41.12 40.27 2b77 n ASP 99 CO 0.00 0.00 0.00 -1.20 -1.01 0.00 0.00 177.20 174.99 2b77 n SER 100 N -0.87 4.33 0.00 -1.12 7.64 -1.26 -5.10 113.62 117.24 2b77 n SER 100 Ca 0.15 -3.47 0.00 0.00 1.01 0.00 0.00 58.87 56.56 2b77 n SER 100 Cb 0.28 -0.38 0.00 0.00 -1.01 0.00 0.00 64.21 63.10 2b77 n SER 100 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2b77 n GLY 101 N -0.65 -1.05 3.73 0.23 0.00 -1.06 -4.96 105.19 101.42 2b77 n GLY 101 Ca 0.37 -1.64 -0.42 0.00 0.00 0.00 0.00 46.02 44.33 2b77 n GLY 101 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 2b77 s PRO 102 N -1.53 4.19 0.25 1.61 0.02 -1.26 -4.32 135.00 133.96 2b77 s PRO 102 Ca 0.00 2.45 0.03 0.00 0.02 0.00 0.00 61.00 63.50 2b77 s PRO 102 Cb 0.00 -3.09 -0.05 0.00 0.02 0.00 0.00 34.50 31.38 2b77 s PRO 102 CO 0.00 -0.59 0.02 1.03 -0.33 0.00 0.00 177.00 177.14 2b77 s ARG 103 N 0.26 1.39 -0.17 5.54 1.81 -1.26 -4.91 118.95 121.60 2b77 s ARG 103 Ca 0.66 -1.72 -0.07 0.00 -1.72 0.00 0.00 55.73 52.88 2b77 s ARG 103 Cb -0.45 -0.58 -0.04 0.00 -0.45 0.00 0.00 34.95 33.42 2b77 s ARG 103 CO 0.39 -0.14 0.06 1.03 -0.68 0.00 0.00 175.30 175.96 2b77 s ARG 104 N -3.90 3.88 -0.11 3.54 1.81 -0.13 -4.85 118.95 119.19 2b77 s ARG 104 Ca 0.31 -0.33 0.03 0.00 -1.72 0.00 0.00 55.73 54.02 2b77 s ARG 104 Cb 0.06 -3.18 -0.00 0.00 -0.45 0.00 0.00 34.95 31.38 2b77 s ARG 104 CO 0.10 0.34 -0.22 0.71 -0.68 0.00 0.00 175.30 175.56 2b77 s TYR 105 N 0.18 2.62 -0.19 -0.53 1.51 0.20 -1.48 117.35 119.67 2b77 s TYR 105 Ca 0.04 -1.01 -0.01 0.00 -1.01 0.00 0.00 57.07 55.08 2b77 s TYR 105 Cb -0.12 -1.75 0.00 0.00 -0.11 0.00 0.00 41.96 39.98 2b77 s TYR 105 CO 0.00 -0.41 -0.12 0.99 -1.11 0.00 0.00 175.55 174.91 2b77 s THR 106 N 0.41 2.80 -0.30 -0.71 2.01 0.22 -1.26 115.64 118.81 2b77 s THR 106 Ca -0.16 -0.70 -0.10 0.00 0.31 0.00 0.00 61.69 61.05 2b77 s THR 106 Cb -0.17 -2.23 -0.02 0.00 0.01 0.00 0.00 72.50 70.10 2b77 s THR 106 CO 0.07 0.48 0.15 -0.63 -0.69 0.00 0.00 174.62 174.01 2b77 s ILE 107 N 1.22 4.71 0.01 1.82 -1.09 -0.16 -0.96 121.20 126.74 2b77 s ILE 107 Ca 0.02 -0.30 0.04 0.00 -2.23 0.00 0.00 60.65 58.19 2b77 s ILE 107 Cb -0.14 -3.36 -0.03 0.00 -1.58 0.00 0.00 42.46 37.35 2b77 s ILE 107 CO -0.05 0.12 -0.10 0.00 -1.23 0.00 0.00 174.94 173.67 2b77 s ALA 108 N 1.64 2.87 -0.00 9.38 0.00 -0.31 -0.95 121.76 134.39 2b77 s ALA 108 Ca 0.05 -1.06 0.01 0.00 0.00 0.00 0.00 51.96 50.96 2b77 s ALA 108 Cb -0.17 -1.01 -0.00 0.00 0.00 0.00 0.00 23.12 21.94 2b77 s ALA 108 CO 0.07 0.60 -0.03 0.00 0.00 0.00 0.00 175.76 176.40 2b77 s ALA 109 N -0.95 0.26 -0.16 0.00 0.00 -0.10 -1.55 121.76 119.26 2b77 s ALA 109 Ca 0.16 -0.12 0.01 0.00 0.00 0.00 0.00 51.96 52.01 2b77 s ALA 109 Cb -0.11 -0.07 0.01 0.00 0.00 0.00 0.00 23.12 22.95 2b77 s ALA 109 CO 0.06 0.06 -0.19 -1.17 0.00 0.00 0.00 175.76 174.52 2b77 s LEU 110 N -0.04 2.22 -0.08 0.00 2.96 -0.34 -1.05 118.68 122.35 2b77 s LEU 110 Ca 0.01 -0.59 0.02 0.00 -0.22 0.00 0.00 54.13 53.35 2b77 s LEU 110 Cb -0.02 -1.50 -0.02 0.00 0.50 0.00 0.00 46.19 45.16 2b77 s LEU 110 CO -0.00 0.04 -0.14 -0.76 -1.32 0.00 0.00 176.35 174.17 2b77 s LEU 111 N 1.04 2.72 0.12 -0.68 1.43 0.03 -1.29 118.68 122.05 2b77 s LEU 111 Ca -0.01 -0.24 0.03 0.00 -1.03 0.00 0.00 54.13 52.87 2b77 s LEU 111 Cb -0.14 -1.57 -0.04 0.00 0.03 0.00 0.00 46.19 44.46 2b77 s LEU 111 CO -0.06 0.28 -0.08 -0.44 0.23 0.00 0.00 176.35 176.28 2b77 s SER 112 N -0.36 1.46 0.39 2.29 0.01 0.01 -1.28 113.70 116.22 2b77 s SER 112 Ca 0.04 -1.00 0.10 0.00 1.31 0.00 0.00 55.95 56.40 2b77 s SER 112 Cb -0.12 0.04 0.88 0.00 0.21 0.00 0.00 66.02 67.03 2b77 s SER 112 CO 0.02 -0.40 1.93 -0.65 0.41 0.00 0.00 173.24 174.55 2b77 h PRO 113 N 2.90 0.59 -0.33 12.44 0.11 -1.99 -2.97 132.00 142.74 2b77 h PRO 113 Ca -0.36 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.72 2b77 h PRO 113 Cb 1.18 -0.13 0.00 0.00 0.11 0.00 0.00 31.00 32.16 2b77 h PRO 113 CO 0.64 0.39 0.00 0.66 -0.21 0.00 0.00 178.00 179.48 2b77 n TYR 114 N -4.50 0.53 -3.62 0.65 4.01 -1.26 -1.48 117.16 111.49 2b77 n TYR 114 Ca 0.13 -0.55 -0.16 0.00 -0.16 0.00 0.00 57.90 57.16 2b77 n TYR 114 Cb 0.39 -0.07 -0.07 0.00 -0.31 0.00 0.00 39.34 39.28 2b77 n TYR 114 CO 0.00 0.00 0.00 0.45 -0.46 0.00 0.00 176.86 176.85 2b77 s SER 115 N -1.13 -0.53 0.10 7.72 0.15 -1.12 -4.98 113.70 113.90 2b77 s SER 115 Ca 0.26 0.67 -0.11 0.00 0.70 0.00 0.00 55.95 57.46 2b77 s SER 115 Cb 0.15 0.64 0.01 0.00 -1.71 0.00 0.00 66.02 65.11 2b77 s SER 115 CO 0.14 -0.48 0.26 -0.72 1.20 0.00 0.00 173.24 173.65 2b77 s TYR 116 N -0.88 0.06 0.06 3.44 -0.85 -1.26 -0.81 117.35 117.11 2b77 s TYR 116 Ca -0.09 -0.46 0.07 0.00 -0.52 0.00 0.00 57.07 56.07 2b77 s TYR 116 Cb -0.02 0.04 -0.03 0.00 0.38 0.00 0.00 41.96 42.33 2b77 s TYR 116 CO 0.06 -0.60 -0.19 0.45 -1.52 0.00 0.00 175.55 173.75 2b77 s SER 117 N -2.85 2.28 0.04 -0.18 0.15 -0.41 -4.98 113.70 107.75 2b77 s SER 117 Ca 0.05 -0.56 0.02 0.00 0.70 0.00 0.00 55.95 56.16 2b77 s SER 117 Cb 0.04 -0.16 -0.02 0.00 -1.71 0.00 0.00 66.02 64.17 2b77 s SER 117 CO -0.11 0.09 -0.08 0.28 1.20 0.00 0.00 173.24 174.62 2b77 s THR 118 N -0.94 0.59 0.08 6.45 -1.32 -1.26 -1.20 115.64 118.03 2b77 s THR 118 Ca 0.05 -1.08 -0.08 0.00 -1.21 0.00 0.00 61.69 59.37 2b77 s THR 118 Cb -0.09 -0.65 -0.00 0.00 -1.51 0.00 0.00 72.50 70.25 2b77 s THR 118 CO 0.02 -0.35 0.17 0.28 -2.21 0.00 0.00 174.62 172.53 2b77 s THR 119 N -1.34 0.14 -0.03 5.08 -1.32 -0.59 -5.00 115.64 112.58 2b77 s THR 119 Ca -0.09 -1.19 0.07 0.00 -1.21 0.00 0.00 61.69 59.27 2b77 s THR 119 Cb -0.10 -1.29 -0.01 0.00 -1.51 0.00 0.00 72.50 69.58 2b77 s THR 119 CO 0.01 -0.66 -0.23 0.00 -2.21 0.00 0.00 174.62 171.53 2b77 s ALA 120 N -3.70 1.92 -0.18 11.08 0.00 -1.26 -1.16 121.76 128.45 2b77 s ALA 120 Ca 0.04 -0.96 -0.01 0.00 0.00 0.00 0.00 51.96 51.03 2b77 s ALA 120 Cb 0.04 -0.53 0.00 0.00 0.00 0.00 0.00 23.12 22.64 2b77 s ALA 120 CO -0.10 0.43 -0.14 0.08 0.00 0.00 0.00 175.76 176.03 2b77 s VAL 121 N -0.39 2.65 -0.17 0.00 1.01 -0.13 -4.98 120.40 118.38 2b77 s VAL 121 Ca 0.05 -0.75 0.01 0.00 0.00 0.00 0.00 61.98 61.28 2b77 s VAL 121 Cb -0.10 -2.14 0.03 0.00 0.00 0.00 0.00 36.38 34.16 2b77 s VAL 121 CO 0.00 0.50 -0.16 -0.69 0.00 0.00 0.00 175.10 174.75 2b77 s VAL 122 N 1.18 1.83 0.33 2.92 1.01 -1.26 -0.61 120.40 125.81 2b77 s VAL 122 Ca 0.02 -0.87 0.06 0.00 0.00 0.00 0.00 61.98 61.19 2b77 s VAL 122 Cb -0.14 -1.72 -0.07 0.00 0.00 0.00 0.00 36.38 34.45 2b77 s VAL 122 CO -0.06 0.44 -0.01 0.42 0.00 0.00 0.00 175.10 175.89 2b77 s THR 123 N 1.37 1.66 0.00 3.92 -4.23 -0.55 -4.96 115.64 112.85 2b77 s THR 123 Ca 0.04 -2.07 0.00 0.00 -1.18 0.00 0.00 61.69 58.48 2b77 s THR 123 Cb -0.14 -2.71 0.00 0.00 1.34 0.00 0.00 72.50 71.00 2b77 s THR 123 CO -0.11 -0.13 0.47 -3.20 -0.54 0.00 0.00 174.62 171.11