#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2b77 n PRO 11 N 0.00 0.23 -3.68 0.00 -0.04 -1.26 -4.67 135.00 125.58 2b77 n PRO 11 Ca 0.00 0.20 -0.16 0.00 -0.04 0.00 0.00 63.50 63.50 2b77 n PRO 11 Cb 0.00 -1.77 -0.15 0.00 -0.04 0.00 0.00 33.50 31.54 2b77 n PRO 11 CO 0.00 0.00 0.00 -1.17 -0.04 0.00 0.00 175.50 174.29 2b77 s LEU 12 N -4.35 -0.02 0.08 1.53 2.96 -1.26 -0.71 118.68 116.90 2b77 s LEU 12 Ca 0.11 0.39 0.05 0.00 -0.22 0.00 0.00 54.13 54.46 2b77 s LEU 12 Cb 0.13 0.38 -0.03 0.00 0.50 0.00 0.00 46.19 47.17 2b77 s LEU 12 CO 0.58 -0.23 -0.13 -0.04 -1.32 0.00 0.00 176.35 175.20 2b77 s MET 13 N 2.17 0.82 -0.03 1.98 -1.94 0.01 -4.47 119.30 117.84 2b77 s MET 13 Ca 0.01 -0.99 0.05 0.00 -1.71 0.00 0.00 55.69 53.05 2b77 s MET 13 Cb -0.12 -0.78 -0.01 0.00 2.01 0.00 0.00 34.83 35.93 2b77 s MET 13 CO -0.06 0.17 -0.19 0.08 -0.01 0.00 0.00 175.02 175.00 2b77 s VAL 14 N -1.46 1.57 -0.02 -6.03 1.01 -0.74 -0.78 120.40 113.93 2b77 s VAL 14 Ca -0.01 -0.82 0.01 0.00 0.00 0.00 0.00 61.98 61.17 2b77 s VAL 14 Cb -0.09 -1.33 0.01 0.00 0.00 0.00 0.00 36.38 34.98 2b77 s VAL 14 CO 0.02 0.45 -0.05 -0.75 0.00 0.00 0.00 175.10 174.77 2b77 s LYS 15 N -0.20 0.61 -0.06 2.72 2.20 -0.17 -0.71 119.74 124.13 2b77 s LYS 15 Ca 0.01 -0.14 0.02 0.00 -0.36 0.00 0.00 55.97 55.50 2b77 s LYS 15 Cb -0.10 -0.63 0.01 0.00 -1.51 0.00 0.00 37.83 35.60 2b77 s LYS 15 CO 0.01 0.01 -0.12 0.08 -0.36 0.00 0.00 175.35 174.98 2b77 s VAL 16 N 0.43 1.09 0.10 4.02 1.01 0.66 -1.12 120.40 126.60 2b77 s VAL 16 Ca -0.05 -0.46 0.10 0.00 0.00 0.00 0.00 61.98 61.57 2b77 s VAL 16 Cb -0.09 -1.00 -0.04 0.00 0.00 0.00 0.00 36.38 35.25 2b77 s VAL 16 CO -0.00 0.35 -0.25 -0.76 0.00 0.00 0.00 175.10 174.44 2b77 s LEU 17 N 0.66 2.27 -0.34 3.92 1.43 -0.42 -0.77 118.68 125.43 2b77 s LEU 17 Ca -0.14 -0.68 -0.09 0.00 -1.03 0.00 0.00 54.13 52.18 2b77 s LEU 17 Cb -0.16 -1.12 0.02 0.00 0.03 0.00 0.00 46.19 44.97 2b77 s LEU 17 CO 0.03 0.16 0.16 -0.62 0.23 0.00 0.00 176.35 176.31 2b77 s ASP 18 N -1.80 5.53 0.34 2.29 -1.08 0.72 -0.84 116.67 121.83 2b77 s ASP 18 Ca 0.11 -0.88 0.26 0.00 -0.52 0.00 0.00 52.55 51.52 2b77 s ASP 18 Cb -0.10 -1.97 0.94 0.00 -1.46 0.00 0.00 42.92 40.34 2b77 s ASP 18 CO 0.04 -0.31 1.78 0.00 0.52 0.00 0.00 175.17 177.20 2b77 h ALA 19 N 8.35 1.00 0.00 3.66 0.00 -1.34 -0.46 119.26 130.47 2b77 h ALA 19 Ca -0.27 0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.64 2b77 h ALA 19 Cb 1.11 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.90 2b77 h ALA 19 CO 0.64 0.00 -0.00 0.28 0.00 0.00 0.00 179.25 180.16 2b77 h VAL 20 N 0.00 1.39 0.00 0.00 2.07 -1.94 -3.39 116.25 114.38 2b77 h VAL 20 Ca 0.00 -2.03 0.00 0.00 0.82 0.00 0.00 66.70 65.49 2b77 h VAL 20 Cb 0.58 2.62 0.00 0.00 -1.52 0.00 0.00 31.29 32.96 2b77 h VAL 20 CO 0.00 0.47 -1.01 0.54 0.02 0.00 0.00 177.57 177.59 2b77 n ARG 21 N -4.65 0.29 -2.60 1.57 1.74 -1.24 -4.99 116.66 106.77 2b77 n ARG 21 Ca -0.08 0.00 -0.07 0.00 -0.77 0.00 0.00 57.85 56.93 2b77 n ARG 21 Cb 0.37 -1.60 0.04 0.00 -1.02 0.00 0.00 32.46 30.25 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 1.37 0.08 3.26 -0.13 0.00 -0.20 -5.04 105.19 104.53 2b77 n GLY 22 Ca 0.02 -0.20 -0.09 0.00 0.00 0.00 0.00 46.02 45.75 2b77 n GLY 22 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2b77 s SER 23 N -3.56 0.13 0.62 1.61 1.04 -1.10 -5.01 113.70 107.42 2b77 s SER 23 Ca 0.02 -0.89 -0.19 0.00 0.48 0.00 0.00 55.95 55.37 2b77 s SER 23 Cb -0.00 0.38 -0.02 0.00 0.10 0.00 0.00 66.02 66.47 2b77 s SER 23 CO 0.32 -0.81 1.32 -2.16 0.98 0.00 0.00 173.24 172.89 2b77 s PRO 24 N -3.96 2.72 -0.48 4.02 0.04 -1.26 -0.20 135.00 135.88 2b77 s PRO 24 Ca 0.15 2.14 -0.20 0.00 0.04 0.00 0.00 61.00 63.13 2b77 s PRO 24 Cb 0.05 -1.97 0.04 0.00 0.04 0.00 0.00 34.50 32.65 2b77 s PRO 24 CO -0.03 -1.49 0.63 0.00 0.04 0.00 0.00 177.00 176.15 2b77 s ALA 25 N -1.35 3.36 0.08 8.56 0.00 0.05 -4.57 121.76 127.89 2b77 s ALA 25 Ca 0.79 -1.50 -0.09 0.00 0.00 0.00 0.00 51.96 51.16 2b77 s ALA 25 Cb -0.39 -3.33 -0.06 0.00 0.00 0.00 0.00 23.12 19.35 2b77 s ALA 25 CO 0.43 -1.91 0.39 0.42 0.00 0.00 0.00 175.76 175.09 2b77 s ILE 26 N 2.72 5.11 -1.34 0.00 1.01 -1.26 -4.36 121.20 123.08 2b77 s ILE 26 Ca 0.18 0.39 -0.01 0.00 0.00 0.00 0.00 60.65 61.21 2b77 s ILE 26 Cb -0.17 -3.64 0.00 0.00 0.01 0.00 0.00 42.46 38.67 2b77 s ILE 26 CO 0.15 0.26 0.13 -3.20 0.00 0.00 0.00 174.94 172.28 2b77 n ASN 27 N 0.80 -4.92 -4.69 3.58 5.15 -0.63 -4.94 115.26 109.61 2b77 n ASN 27 Ca -0.07 -0.07 -0.40 0.00 -0.60 0.00 0.00 54.58 53.44 2b77 n ASN 27 Cb 0.52 -3.96 -0.05 0.00 -0.53 0.00 0.00 39.78 35.76 2b77 n ASN 27 CO 0.00 0.00 0.00 -0.69 1.40 0.00 0.00 177.26 177.97 2b77 s VAL 28 N -2.87 5.06 0.22 3.44 1.01 -1.26 -4.76 120.40 121.24 2b77 s VAL 28 Ca 0.06 1.23 -0.30 0.00 0.00 0.00 0.00 61.98 62.98 2b77 s VAL 28 Cb -0.03 -3.95 -0.09 0.00 0.00 0.00 0.00 36.38 32.31 2b77 s VAL 28 CO 0.08 0.19 1.09 0.00 0.00 0.00 0.00 175.10 176.46 2b77 s ALA 29 N 1.35 3.39 -0.07 5.51 0.00 -1.26 -1.09 121.76 129.60 2b77 s ALA 29 Ca 0.31 0.84 0.01 0.00 0.00 0.00 0.00 51.96 53.12 2b77 s ALA 29 Cb -0.16 -3.33 0.02 0.00 0.00 0.00 0.00 23.12 19.65 2b77 s ALA 29 CO 0.13 -0.16 -0.06 0.08 0.00 0.00 0.00 175.76 175.74 2b77 s VAL 30 N -0.69 0.74 -0.08 0.00 1.01 -0.14 -1.11 120.40 120.14 2b77 s VAL 30 Ca 0.47 -0.20 0.05 0.00 0.00 0.00 0.00 61.98 62.30 2b77 s VAL 30 Cb -0.30 -0.76 -0.01 0.00 0.00 0.00 0.00 36.38 35.31 2b77 s VAL 30 CO 0.37 0.29 -0.25 -1.00 0.00 0.00 0.00 175.10 174.51 2b77 s HIS 31 N 1.14 2.49 -0.09 5.22 3.76 -0.04 -1.23 115.29 126.54 2b77 s HIS 31 Ca -0.07 -0.88 0.01 0.00 -0.15 0.00 0.00 55.06 53.98 2b77 s HIS 31 Cb -0.14 -1.65 -0.02 0.00 1.11 0.00 0.00 32.58 31.88 2b77 s HIS 31 CO -0.01 -0.31 -0.12 0.08 -0.85 0.00 0.00 174.74 173.53 2b77 s VAL 32 N 0.07 3.25 0.09 -0.90 1.01 0.24 0.07 120.40 124.22 2b77 s VAL 32 Ca -0.11 -0.63 0.07 0.00 0.00 0.00 0.00 61.98 61.32 2b77 s VAL 32 Cb -0.16 -2.33 -0.03 0.00 0.00 0.00 0.00 36.38 33.87 2b77 s VAL 32 CO 0.06 0.56 -0.19 -0.36 0.00 0.00 0.00 175.10 175.17 2b77 s PHE 33 N -0.32 1.64 0.03 5.22 0.08 0.52 -0.77 117.98 124.37 2b77 s PHE 33 Ca 0.03 -0.42 0.07 0.00 0.12 0.00 0.00 56.93 56.74 2b77 s PHE 33 Cb -0.13 -0.92 -0.03 0.00 -0.57 0.00 0.00 43.02 41.38 2b77 s PHE 33 CO 0.02 0.15 -0.20 0.50 -0.10 0.00 0.00 175.22 175.60 2b77 s ARG 34 N -1.75 2.06 0.11 0.44 3.52 -0.70 -0.72 118.95 121.91 2b77 s ARG 34 Ca 0.04 -0.97 -0.31 0.00 -0.13 0.00 0.00 55.73 54.36 2b77 s ARG 34 Cb -0.10 -2.15 -0.07 0.00 -1.56 0.00 0.00 34.95 31.07 2b77 s ARG 34 CO 0.03 0.54 1.25 0.21 -0.81 0.00 0.00 175.30 176.53 2b77 s LYS 35 N -1.26 4.41 0.39 5.12 2.20 0.63 -1.97 119.74 129.25 2b77 s LYS 35 Ca 0.13 1.88 -0.01 0.00 -0.36 0.00 0.00 55.97 57.62 2b77 s LYS 35 Cb -0.10 -3.29 -0.03 0.00 -1.51 0.00 0.00 37.83 32.90 2b77 s LYS 35 CO 0.04 -0.27 0.61 0.00 -0.36 0.00 0.00 175.35 175.37 2b77 s ALA 36 N 0.78 3.65 -0.87 3.13 0.00 0.73 -4.77 121.76 124.41 2b77 s ALA 36 Ca 0.59 -0.85 0.06 0.00 0.00 0.00 0.00 51.96 51.76 2b77 s ALA 36 Cb -0.32 -2.21 0.30 0.00 0.00 0.00 0.00 23.12 20.89 2b77 s ALA 36 CO 0.31 -0.13 1.20 0.00 0.00 0.00 0.00 175.76 177.14 2b77 n ALA 37 N -1.91 1.15 -1.03 0.00 0.00 -1.26 -0.10 120.51 117.36 2b77 n ALA 37 Ca -0.03 0.02 -0.03 0.00 0.00 0.00 0.00 53.44 53.40 2b77 n ALA 37 Cb 0.56 -1.10 0.33 0.00 0.00 0.00 0.00 19.45 19.24 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 -1.63 5.00 -2.82 0.00 3.85 -1.26 -4.95 116.55 114.73 2b77 n ASP 38 Ca 0.01 -3.17 -0.21 0.00 -0.71 0.00 0.00 54.79 50.70 2b77 n ASP 38 Cb 0.04 -0.73 0.01 0.00 -1.35 0.00 0.00 41.12 39.10 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 -0.02 -5.56 -4.50 -1.12 -0.08 0.86 -5.00 116.55 101.14 2b77 n ASP 39 Ca 0.38 -0.17 -0.26 0.00 -1.51 0.00 0.00 54.79 53.23 2b77 n ASP 39 Cb 1.34 -4.56 -0.10 0.00 2.34 0.00 0.00 41.12 40.15 2b77 n ASP 39 CO 0.00 0.00 0.00 0.42 0.12 0.00 0.00 177.20 177.74 2b77 s THR 40 N -3.05 2.72 -0.10 5.18 -4.23 -1.24 -4.92 115.64 109.99 2b77 s THR 40 Ca 0.20 -2.04 -0.22 0.00 -1.18 0.00 0.00 61.69 58.45 2b77 s THR 40 Cb -0.09 -2.37 -0.03 0.00 1.34 0.00 0.00 72.50 71.34 2b77 s THR 40 CO 0.24 -0.23 0.65 0.26 -0.54 0.00 0.00 174.62 175.01 2b77 s TRP 41 N -2.00 3.53 -0.11 3.99 0.52 -1.26 -0.19 118.94 123.42 2b77 s TRP 41 Ca 0.26 1.13 0.02 0.00 0.02 0.00 0.00 56.10 57.53 2b77 s TRP 41 Cb -0.07 -2.76 -0.01 0.00 -1.15 0.00 0.00 33.47 29.47 2b77 s TRP 41 CO 0.14 0.05 -0.17 -1.83 0.02 0.00 0.00 176.95 175.15 2b77 s GLU 42 N 0.99 3.14 0.34 4.98 -1.05 -0.83 -4.94 118.70 121.33 2b77 s GLU 42 Ca 0.34 -0.76 -0.25 0.00 -0.15 0.00 0.00 54.97 54.14 2b77 s GLU 42 Cb -0.17 -2.47 -0.14 0.00 -0.44 0.00 0.00 34.13 30.91 2b77 s GLU 42 CO 0.15 0.25 0.74 -2.30 0.95 0.00 0.00 175.26 175.06 2b77 n PRO 43 N 3.37 0.82 0.00 -4.83 -0.02 -1.26 -1.72 135.00 131.36 2b77 n PRO 43 Ca -0.18 0.29 0.00 0.00 -2.02 0.00 0.00 63.50 61.59 2b77 n PRO 43 Cb 0.53 -1.59 0.00 0.00 -0.02 0.00 0.00 33.50 32.42 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 -0.33 0.00 -3.57 6.00 7.35 0.05 -4.74 117.46 122.22 2b77 n PHE 44 Ca 0.12 0.00 -0.09 0.00 -0.76 0.00 0.00 57.45 56.71 2b77 n PHE 44 Cb 0.35 0.12 -0.04 0.00 0.35 0.00 0.00 39.48 40.25 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 -1.64 -1.93 0.24 3.13 0.00 -0.95 -5.00 121.76 115.60 2b77 s ALA 45 Ca 0.00 1.50 -0.21 0.00 0.00 0.00 0.00 51.96 53.25 2b77 s ALA 45 Cb 0.00 -0.51 0.03 0.00 0.00 0.00 0.00 23.12 22.65 2b77 s ALA 45 CO 0.00 -0.39 0.66 -1.54 0.00 0.00 0.00 175.76 174.48 2b77 s SER 46 N -1.42 -0.33 0.00 0.00 1.04 -1.26 0.79 113.70 112.52 2b77 s SER 46 Ca 0.01 -0.46 0.00 0.00 0.48 0.00 0.00 55.95 55.97 2b77 s SER 46 Cb -0.01 0.67 0.00 0.00 0.10 0.00 0.00 66.02 66.79 2b77 s SER 46 CO -0.01 -1.21 0.00 0.61 0.98 0.00 0.00 173.24 173.61 2b77 n GLY 47 N -0.42 -1.28 3.22 7.32 0.00 -0.37 -4.98 105.19 108.68 2b77 n GLY 47 Ca -0.08 -0.97 -0.27 0.00 0.00 0.00 0.00 46.02 44.71 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 -1.28 1.61 0.55 1.61 1.02 -1.26 -0.97 119.74 121.03 2b77 s LYS 48 Ca 0.00 -0.76 -0.21 0.00 0.02 0.00 0.00 55.97 55.02 2b77 s LYS 48 Cb 0.00 -1.58 -0.05 0.00 -0.52 0.00 0.00 37.83 35.68 2b77 s LYS 48 CO 0.00 0.43 1.29 0.95 -0.92 0.00 0.00 175.35 177.10 2b77 s THR 49 N -0.52 2.33 0.91 2.17 -4.23 -0.25 -4.77 115.64 111.29 2b77 s THR 49 Ca 0.08 0.24 -0.15 0.00 -1.18 0.00 0.00 61.69 60.67 2b77 s THR 49 Cb -0.08 -3.11 0.21 0.00 1.34 0.00 0.00 72.50 70.86 2b77 s THR 49 CO -0.00 -0.02 1.14 -1.54 -0.54 0.00 0.00 174.62 173.66 2b77 n SER 50 N -1.15 -0.29 0.23 3.99 3.41 0.06 -1.61 113.62 118.26 2b77 n SER 50 Ca 0.11 -1.37 0.18 0.00 -0.26 0.00 0.00 58.87 57.54 2b77 n SER 50 Cb 0.47 -0.90 0.86 0.00 -0.26 0.00 0.00 64.21 64.37 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 -0.17 4.33 5.08 -1.94 0.71 114.58 122.59 2b77 h GLU 51 Ca -0.38 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.98 2b77 h GLU 51 Cb 1.06 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.31 2b77 h GLU 51 CO 0.26 0.00 0.00 -1.13 -1.00 0.00 0.00 179.01 177.14 2b77 n SER 52 N -3.54 2.17 -0.31 1.42 3.41 -1.26 -4.82 113.62 110.68 2b77 n SER 52 Ca 0.01 -1.76 -0.04 0.00 -0.26 0.00 0.00 58.87 56.82 2b77 n SER 52 Cb 0.35 -0.11 -0.02 0.00 -0.26 0.00 0.00 64.21 64.18 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 1.24 0.69 3.56 5.00 0.00 0.24 -4.80 105.19 111.12 2b77 n GLY 53 Ca 0.17 -0.69 -0.30 0.00 0.00 0.00 0.00 46.02 45.21 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 -2.06 2.07 -0.18 1.61 2.02 -1.26 -0.24 118.70 120.66 2b77 s GLU 54 Ca 0.00 -1.05 -0.01 0.00 0.02 0.00 0.00 54.97 53.94 2b77 s GLU 54 Cb 0.00 -2.27 0.05 0.00 0.10 0.00 0.00 34.13 32.01 2b77 s GLU 54 CO 0.00 0.51 -0.03 -1.17 0.02 0.00 0.00 175.26 174.59 2b77 s LEU 55 N -2.14 1.59 0.43 1.80 2.96 0.11 -0.76 118.68 122.68 2b77 s LEU 55 Ca 0.20 -0.74 0.06 0.00 -0.22 0.00 0.00 54.13 53.44 2b77 s LEU 55 Cb -0.11 -0.85 -0.05 0.00 0.50 0.00 0.00 46.19 45.68 2b77 s LEU 55 CO 0.12 -0.22 0.12 -1.00 -1.32 0.00 0.00 176.35 174.06 2b77 s HIS 56 N 1.67 2.44 -0.76 5.38 3.76 -1.26 -1.80 115.29 124.72 2b77 s HIS 56 Ca -0.00 -0.67 0.00 0.00 -0.15 0.00 0.00 55.06 54.24 2b77 s HIS 56 Cb -0.16 -1.86 0.00 0.00 1.11 0.00 0.00 32.58 31.67 2b77 s HIS 56 CO -0.07 0.24 0.00 0.41 -0.85 0.00 0.00 174.74 174.46 2b77 n GLY 57 N -1.19 0.63 0.23 -2.22 0.00 -1.26 -4.95 105.19 96.44 2b77 n GLY 57 Ca -0.04 -0.65 -0.09 0.00 0.00 0.00 0.00 46.02 45.23 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 0.74 -8.13 0.99 3.38 -1.87 -3.47 115.31 106.94 2b77 h LEU 58 Ca -0.17 -0.25 -0.12 0.00 0.09 0.00 0.00 57.88 57.43 2b77 h LEU 58 Cb 0.73 -0.19 -0.14 0.00 0.09 0.00 0.00 40.66 41.15 2b77 h LEU 58 CO 0.22 0.80 -0.47 0.28 0.09 0.00 0.00 178.44 179.36 2b77 s THR 59 N -5.23 0.12 0.34 0.22 -1.32 -1.26 -4.81 115.64 103.69 2b77 s THR 59 Ca -0.13 -1.53 0.07 0.00 -1.21 0.00 0.00 61.69 58.89 2b77 s THR 59 Cb 0.11 -1.72 -0.01 0.00 -1.51 0.00 0.00 72.50 69.37 2b77 s THR 59 CO 0.79 -0.54 0.43 0.42 -2.21 0.00 0.00 174.62 173.51 2b77 s THR 60 N -3.95 3.90 0.27 5.08 -4.23 -1.26 -4.46 115.64 110.99 2b77 s THR 60 Ca 0.14 -1.09 0.00 0.00 -1.18 0.00 0.00 61.69 59.56 2b77 s THR 60 Cb 0.05 -3.34 0.10 0.00 1.34 0.00 0.00 72.50 70.65 2b77 s THR 60 CO -0.04 -0.16 1.75 -0.08 -0.54 0.00 0.00 174.62 175.56 2b77 h GLU 61 N 0.98 0.64 -0.46 3.99 4.57 -1.98 -1.80 114.58 120.52 2b77 h GLU 61 Ca -0.45 -0.20 0.09 0.00 -1.18 0.00 0.00 59.36 57.62 2b77 h GLU 61 Cb 1.26 -0.06 -0.08 0.00 -0.16 0.00 0.00 28.75 29.70 2b77 h GLU 61 CO 0.54 0.74 -0.06 1.49 -1.18 0.00 0.00 179.01 180.53 2b77 h GLU 62 N 0.58 0.05 0.00 1.92 4.57 -2.05 -2.91 114.58 116.75 2b77 h GLU 62 Ca 0.10 -0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.28 2b77 h GLU 62 Cb 0.53 -0.01 0.00 0.00 -0.16 0.00 0.00 28.75 29.11 2b77 h GLU 62 CO 0.03 0.03 -0.27 1.49 -1.18 0.00 0.00 179.01 179.11 2b77 h GLU 63 N 0.05 0.00 -3.12 1.92 4.81 -1.81 -3.40 114.58 113.04 2b77 h GLU 63 Ca 0.23 0.00 -0.77 0.00 -0.13 0.00 0.00 59.36 58.68 2b77 h GLU 63 Cb 0.34 0.00 -0.19 0.00 0.63 0.00 0.00 28.75 29.54 2b77 h GLU 63 CO -0.43 0.00 1.74 0.34 -0.73 0.00 0.00 179.01 179.93 2b77 n PHE 64 N -2.93 2.68 -2.06 0.92 7.35 -0.73 -4.98 117.46 117.71 2b77 n PHE 64 Ca 0.03 -2.72 -0.28 0.00 -0.76 0.00 0.00 57.45 53.72 2b77 n PHE 64 Cb 0.53 -1.71 0.06 0.00 0.35 0.00 0.00 39.48 38.71 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 -0.97 2.72 0.36 -2.13 -7.23 -1.26 -4.96 120.40 106.93 2b77 s VAL 65 Ca 0.40 0.05 -0.27 0.00 -1.81 0.00 0.00 61.98 60.35 2b77 s VAL 65 Cb 0.11 -3.20 -0.12 0.00 0.56 0.00 0.00 36.38 33.73 2b77 s VAL 65 CO 0.00 -0.24 1.21 -0.62 -0.31 0.00 0.00 175.10 175.15 2b77 n GLU 66 N -3.01 1.88 0.00 4.82 1.02 -1.26 -4.89 120.64 119.19 2b77 n GLU 66 Ca 0.07 0.66 0.00 0.00 -0.02 0.00 0.00 57.16 57.87 2b77 n GLU 66 Cb 0.59 -2.23 0.00 0.00 -0.02 0.00 0.00 31.44 29.78 2b77 n GLU 66 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2b77 n GLY 67 N 0.89 -0.46 3.55 0.62 0.00 -1.11 -4.98 105.19 103.70 2b77 n GLY 67 Ca 0.06 -1.18 -0.35 0.00 0.00 0.00 0.00 46.02 44.55 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 4.55 0.15 -0.61 1.01 -1.26 -1.03 121.20 122.00 2b77 s ILE 68 Ca 0.00 -0.11 0.11 0.00 0.00 0.00 0.00 60.65 60.65 2b77 s ILE 68 Cb 0.00 -3.08 -0.04 0.00 0.01 0.00 0.00 42.46 39.35 2b77 s ILE 68 CO 0.00 0.41 -0.25 -0.31 0.00 0.00 0.00 174.94 174.78 2b77 s TYR 69 N 0.91 2.33 -0.10 3.97 1.51 0.66 -0.27 117.35 126.36 2b77 s TYR 69 Ca 0.04 -0.36 0.02 0.00 -1.01 0.00 0.00 57.07 55.76 2b77 s TYR 69 Cb -0.14 -1.23 0.01 0.00 -0.11 0.00 0.00 41.96 40.49 2b77 s TYR 69 CO 0.03 0.39 -0.16 0.21 -1.11 0.00 0.00 175.55 174.90 2b77 s LYS 70 N -2.23 2.27 -0.26 -0.62 2.20 0.10 -1.19 119.74 120.01 2b77 s LYS 70 Ca 0.16 -0.59 -0.04 0.00 -0.36 0.00 0.00 55.97 55.14 2b77 s LYS 70 Cb -0.10 -1.86 0.01 0.00 -1.51 0.00 0.00 37.83 34.37 2b77 s LYS 70 CO 0.07 0.00 -0.00 0.08 -0.36 0.00 0.00 175.35 175.15 2b77 s VAL 71 N 0.79 3.45 -0.20 4.02 1.01 0.65 -0.35 120.40 129.76 2b77 s VAL 71 Ca -0.11 -0.74 -0.04 0.00 0.00 0.00 0.00 61.98 61.09 2b77 s VAL 71 Cb -0.16 -2.71 -0.02 0.00 0.00 0.00 0.00 36.38 33.49 2b77 s VAL 71 CO 0.02 0.22 -0.03 -0.70 0.00 0.00 0.00 175.10 174.61 2b77 s GLU 72 N 1.44 3.53 -0.20 2.72 2.12 0.11 0.13 118.70 128.55 2b77 s GLU 72 Ca 0.03 -0.57 -0.02 0.00 0.36 0.00 0.00 54.97 54.77 2b77 s GLU 72 Cb -0.16 -3.00 -0.00 0.00 0.26 0.00 0.00 34.13 31.23 2b77 s GLU 72 CO -0.01 -0.01 -0.10 0.42 -0.54 0.00 0.00 175.26 175.01 2b77 s ILE 73 N 1.03 2.94 -1.35 -3.70 1.01 0.11 -0.87 121.20 120.38 2b77 s ILE 73 Ca 0.01 -0.65 -0.16 0.00 0.00 0.00 0.00 60.65 59.85 2b77 s ILE 73 Cb -0.15 -2.30 0.06 0.00 0.01 0.00 0.00 42.46 40.08 2b77 s ILE 73 CO 0.01 0.47 1.91 -0.67 0.00 0.00 0.00 174.94 176.65 2b77 n ASP 74 N 4.63 4.57 0.10 3.58 2.03 -0.26 -1.25 116.55 129.94 2b77 n ASP 74 Ca -0.19 -2.89 -0.02 0.00 0.52 0.00 0.00 54.79 52.21 2b77 n ASP 74 Cb 0.51 -1.71 0.23 0.00 -0.72 0.00 0.00 41.12 39.42 2b77 n ASP 74 CO 0.00 0.00 0.00 0.71 -1.92 0.00 0.00 177.20 175.99 2b77 h THR 75 N 4.99 1.31 -0.10 5.18 1.35 -1.87 -3.24 112.91 120.52 2b77 h THR 75 Ca 0.49 -1.50 -0.00 0.00 -0.55 0.00 0.00 66.41 64.85 2b77 h THR 75 Cb 0.79 1.67 -0.00 0.00 -1.73 0.00 0.00 68.15 68.88 2b77 h THR 75 CO 1.61 0.45 0.06 0.50 -0.25 0.00 0.00 175.52 177.88 2b77 h LYS 76 N 0.20 0.14 -0.75 4.72 3.64 -1.74 -2.25 116.57 120.53 2b77 h LYS 76 Ca 0.02 -0.02 0.02 0.00 -1.27 0.00 0.00 60.65 59.40 2b77 h LYS 76 Cb 0.80 -0.03 -0.04 0.00 -0.41 0.00 0.00 32.23 32.55 2b77 h LYS 76 CO 0.06 0.18 0.50 0.77 -2.27 0.00 0.00 179.45 178.69 2b77 h SER 77 N 0.07 0.83 0.08 4.20 0.02 -1.86 -0.93 113.55 115.96 2b77 h SER 77 Ca 0.04 -0.02 0.02 0.00 -0.84 0.00 0.00 61.79 60.99 2b77 h SER 77 Cb 0.08 -0.20 -0.03 0.00 0.14 0.00 0.00 62.40 62.39 2b77 h SER 77 CO -0.01 0.59 -0.21 0.22 -1.14 0.00 0.00 176.83 176.28 2b77 h TYR 78 N 0.98 -0.57 -0.37 3.45 3.20 -1.51 -2.19 116.97 119.96 2b77 h TYR 78 Ca 0.29 0.01 -0.15 0.00 3.14 0.00 0.00 58.73 62.02 2b77 h TYR 78 Cb -0.05 0.24 -0.01 0.00 1.54 0.00 0.00 36.73 38.46 2b77 h TYR 78 CO -0.00 -0.31 -0.37 -1.49 -1.64 0.00 0.00 178.16 174.35 2b77 h TRP 79 N -0.38 1.06 -0.31 -3.82 4.06 -1.15 -3.09 115.95 112.32 2b77 h TRP 79 Ca 0.04 -0.31 -0.04 0.00 2.06 0.00 0.00 58.89 60.64 2b77 h TRP 79 Cb 0.42 -0.23 -0.02 0.00 -1.00 0.00 0.00 29.16 28.34 2b77 h TRP 79 CO -0.22 1.12 0.03 0.87 -3.56 0.00 0.00 178.44 176.68 2b77 h LYS 80 N 0.73 0.47 0.00 0.49 1.57 -1.10 -1.24 116.57 117.49 2b77 h LYS 80 Ca 0.06 -0.08 -0.01 0.00 -1.87 0.00 0.00 60.65 58.75 2b77 h LYS 80 Cb 0.95 -0.08 -0.00 0.00 0.08 0.00 0.00 32.23 33.19 2b77 h LYS 80 CO 0.09 0.47 -0.04 0.00 -0.57 0.00 0.00 179.45 179.40 2b77 h ALA 81 N 1.58 1.03 -0.02 3.86 0.00 -1.31 -1.43 119.26 122.97 2b77 h ALA 81 Ca 0.10 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.97 2b77 h ALA 81 Cb 0.26 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.04 2b77 h ALA 81 CO 0.00 0.06 -0.09 1.28 0.00 0.00 0.00 179.25 180.50 2b77 n LEU 82 N -3.18 1.75 0.00 0.00 4.77 -0.53 -4.96 117.00 114.86 2b77 n LEU 82 Ca -0.00 -0.57 0.00 0.00 -0.03 0.00 0.00 56.01 55.41 2b77 n LEU 82 Cb 0.30 -0.02 0.00 0.00 -2.33 0.00 0.00 43.42 41.36 2b77 n LEU 82 CO 0.28 0.30 0.00 0.61 -1.33 0.00 0.00 177.39 177.24 2b77 n GLY 83 N 1.26 0.48 3.23 -0.72 0.00 -0.54 -5.06 105.19 103.85 2b77 n GLY 83 Ca 0.16 -0.90 -0.32 0.00 0.00 0.00 0.00 46.02 44.96 2b77 n GLY 83 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2b77 s ILE 84 N -2.00 2.28 -0.56 -0.61 1.01 -0.83 -5.03 121.20 115.46 2b77 s ILE 84 Ca 0.00 -0.93 -0.23 0.00 0.00 0.00 0.00 60.65 59.49 2b77 s ILE 84 Cb 0.00 -1.91 0.05 0.00 0.01 0.00 0.00 42.46 40.61 2b77 s ILE 84 CO 0.00 0.55 0.91 -0.55 0.00 0.00 0.00 174.94 175.84 2b77 s SER 85 N 0.54 6.30 0.66 3.58 0.15 -1.26 -3.14 113.70 120.53 2b77 s SER 85 Ca -0.13 -0.52 -0.03 0.00 0.70 0.00 0.00 55.95 55.97 2b77 s SER 85 Cb -0.17 -2.42 0.07 0.00 -1.71 0.00 0.00 66.02 61.79 2b77 s SER 85 CO 0.04 -1.22 0.94 -2.16 1.20 0.00 0.00 173.24 172.04 2b77 s PRO 86 N 3.81 2.19 -0.15 5.44 0.04 -1.26 -4.98 135.00 140.09 2b77 s PRO 86 Ca 0.27 -0.56 -0.27 0.00 0.04 0.00 0.00 61.00 60.48 2b77 s PRO 86 Cb -0.14 -2.29 -0.25 0.00 0.04 0.00 0.00 34.50 31.86 2b77 s PRO 86 CO 0.17 -1.13 0.66 0.35 0.04 0.00 0.00 177.00 177.09 2b77 h PHE 87 N -0.40 0.05 -3.76 0.56 3.57 -1.36 -3.48 116.94 112.14 2b77 h PHE 87 Ca -0.43 -0.04 -0.49 0.00 3.53 0.00 0.00 57.97 60.55 2b77 h PHE 87 Cb 1.30 -0.00 -0.03 0.00 2.79 0.00 0.00 35.95 40.01 2b77 h PHE 87 CO 0.22 1.13 0.15 -1.01 -2.23 0.00 0.00 178.31 176.57 2b77 s HIS 88 N -2.27 3.44 0.21 0.41 3.76 -1.26 -4.98 115.29 114.60 2b77 s HIS 88 Ca -0.21 1.35 -0.00 0.00 -0.15 0.00 0.00 55.06 56.05 2b77 s HIS 88 Cb -0.01 -2.62 0.17 0.00 1.11 0.00 0.00 32.58 31.22 2b77 s HIS 88 CO 0.68 0.12 1.53 0.93 -0.85 0.00 0.00 174.74 177.15 2b77 h GLU 89 N 2.49 0.44 -2.25 1.40 4.39 -1.98 -3.38 114.58 115.69 2b77 h GLU 89 Ca -0.48 -0.28 0.24 0.00 0.34 0.00 0.00 59.36 59.17 2b77 h GLU 89 Cb 1.18 0.04 -0.06 0.00 -0.10 0.00 0.00 28.75 29.81 2b77 h GLU 89 CO 0.65 0.89 0.69 -3.38 -1.16 0.00 0.00 179.01 176.70 2b77 s HIS 90 N -3.91 0.02 -0.12 4.33 -3.43 -1.26 -3.76 115.29 107.16 2b77 s HIS 90 Ca -0.06 -0.29 0.02 0.00 -0.80 0.00 0.00 55.06 53.93 2b77 s HIS 90 Cb 0.11 0.63 -0.01 0.00 -1.43 0.00 0.00 32.58 31.89 2b77 s HIS 90 CO 0.82 -0.65 -0.19 0.00 -2.00 0.00 0.00 174.74 172.73 2b77 s ALA 91 N -2.29 2.38 -0.07 -1.38 0.00 -0.38 -4.88 121.76 115.15 2b77 s ALA 91 Ca 0.22 -0.94 0.06 0.00 0.00 0.00 0.00 51.96 51.30 2b77 s ALA 91 Cb -0.01 -1.01 -0.01 0.00 0.00 0.00 0.00 23.12 22.10 2b77 s ALA 91 CO 0.02 0.26 -0.25 -1.21 0.00 0.00 0.00 175.76 174.58 2b77 s GLU 92 N 0.37 2.64 -0.16 0.00 8.01 -1.26 0.10 118.70 128.39 2b77 s GLU 92 Ca -0.15 -0.90 0.01 0.00 0.01 0.00 0.00 54.97 53.94 2b77 s GLU 92 Cb -0.17 -2.19 0.02 0.00 -4.31 0.00 0.00 34.13 27.48 2b77 s GLU 92 CO 0.07 0.35 -0.19 0.08 0.01 0.00 0.00 175.26 175.58 2b77 s VAL 93 N -0.08 1.91 -0.11 2.63 1.01 0.12 -4.96 120.40 120.93 2b77 s VAL 93 Ca -0.06 -0.86 0.03 0.00 0.00 0.00 0.00 61.98 61.10 2b77 s VAL 93 Cb -0.14 -1.74 0.00 0.00 0.00 0.00 0.00 36.38 34.50 2b77 s VAL 93 CO 0.05 0.52 -0.22 -0.69 0.00 0.00 0.00 175.10 174.75 2b77 s VAL 94 N 1.26 1.97 0.02 2.92 1.01 -1.26 -0.25 120.40 126.07 2b77 s VAL 94 Ca 0.03 -0.95 -0.23 0.00 0.00 0.00 0.00 61.98 60.83 2b77 s VAL 94 Cb -0.13 -1.72 0.05 0.00 0.00 0.00 0.00 36.38 34.58 2b77 s VAL 94 CO -0.10 0.54 0.52 0.72 0.00 0.00 0.00 175.10 176.77 2b77 s PHE 95 N 0.50 -0.43 -0.02 5.22 -0.71 -0.33 -5.00 117.98 117.21 2b77 s PHE 95 Ca -0.15 0.55 -0.22 0.00 -1.04 0.00 0.00 56.93 56.06 2b77 s PHE 95 Cb -0.17 0.32 -0.05 0.00 -1.21 0.00 0.00 43.02 41.91 2b77 s PHE 95 CO 0.06 -0.60 0.65 0.99 -1.34 0.00 0.00 175.22 174.97 2b77 s THR 96 N -2.10 4.93 -0.36 -4.49 2.01 -1.26 -0.25 115.64 114.13 2b77 s THR 96 Ca -0.07 1.35 -0.17 0.00 0.31 0.00 0.00 61.69 63.11 2b77 s THR 96 Cb -0.01 -3.99 -0.00 0.00 0.01 0.00 0.00 72.50 68.51 2b77 s THR 96 CO 0.01 0.36 0.45 0.00 -0.69 0.00 0.00 174.62 174.74 2b77 s ALA 97 N 0.16 3.47 -0.99 7.40 0.00 -0.20 -4.92 121.76 126.68 2b77 s ALA 97 Ca 0.34 -1.16 0.10 0.00 0.00 0.00 0.00 51.96 51.24 2b77 s ALA 97 Cb -0.18 -2.95 0.24 0.00 0.00 0.00 0.00 23.12 20.23 2b77 s ALA 97 CO 0.18 -1.22 1.15 0.09 0.00 0.00 0.00 175.76 175.96 2b77 n ASN 98 N 5.60 2.65 -1.75 0.00 3.02 -1.26 -2.77 115.26 120.75 2b77 n ASN 98 Ca -0.07 -1.87 -0.01 0.00 -0.03 0.00 0.00 54.58 52.60 2b77 n ASN 98 Cb 0.49 -0.17 0.00 0.00 -0.61 0.00 0.00 39.78 39.49 2b77 n ASN 98 CO 0.00 0.00 0.00 0.47 -2.62 0.00 0.00 177.26 175.11 2b77 n ASP 99 N 0.50 -0.19 -3.15 6.41 8.00 -1.26 -4.84 116.55 122.02 2b77 n ASP 99 Ca 0.10 -0.02 0.05 0.00 0.71 0.00 0.00 54.79 55.63 2b77 n ASP 99 Cb 0.38 -0.06 -0.00 0.00 -0.02 0.00 0.00 41.12 41.42 2b77 n ASP 99 CO 0.00 0.00 0.00 -0.94 -0.39 0.00 0.00 177.20 175.87 2b77 s SER 100 N -0.94 -0.79 -0.18 -2.24 1.04 -1.26 -4.96 113.70 104.36 2b77 s SER 100 Ca 0.01 0.17 -0.02 0.00 0.48 0.00 0.00 55.95 56.59 2b77 s SER 100 Cb -0.00 1.53 0.00 0.00 0.10 0.00 0.00 66.02 67.66 2b77 s SER 100 CO 0.03 -0.15 0.20 0.61 0.98 0.00 0.00 173.24 174.91 2b77 n GLY 101 N 5.27 -0.70 0.00 7.32 0.00 -1.26 -5.29 105.19 110.53 2b77 n GLY 101 Ca 0.05 0.12 0.00 0.00 0.00 0.00 0.00 46.02 46.19 2b77 n GLY 101 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2b77 n ARG 104 N -0.90 0.00 -4.52 1.61 1.74 0.11 -5.10 116.66 109.60 2b77 n ARG 104 Ca 0.01 0.00 -0.33 0.00 -0.77 0.00 0.00 57.85 56.76 2b77 n ARG 104 Cb 0.35 0.00 -0.15 0.00 -1.02 0.00 0.00 32.46 31.64 2b77 n ARG 104 CO 0.00 0.00 0.00 0.71 -1.52 0.00 0.00 177.63 176.82 2b77 s TYR 105 N 0.00 2.79 -0.18 -1.55 1.51 0.11 -1.53 117.35 118.49 2b77 s TYR 105 Ca 0.00 -1.02 -0.01 0.00 -1.01 0.00 0.00 57.07 55.03 2b77 s TYR 105 Cb 0.00 -1.89 -0.00 0.00 -0.11 0.00 0.00 41.96 39.96 2b77 s TYR 105 CO 0.00 -0.46 -0.12 0.99 -1.11 0.00 0.00 175.55 174.85 2b77 s THR 106 N 0.81 2.86 -0.30 -0.71 2.01 0.33 -0.81 115.64 119.83 2b77 s THR 106 Ca -0.05 -0.68 -0.09 0.00 0.31 0.00 0.00 61.69 61.17 2b77 s THR 106 Cb -0.15 -2.25 -0.01 0.00 0.01 0.00 0.00 72.50 70.10 2b77 s THR 106 CO 0.00 0.49 0.14 -0.63 -0.69 0.00 0.00 174.62 173.92 2b77 s ILE 107 N 1.14 4.55 -0.03 1.82 -1.09 0.04 -0.82 121.20 126.80 2b77 s ILE 107 Ca 0.01 -0.37 0.02 0.00 -2.23 0.00 0.00 60.65 58.09 2b77 s ILE 107 Cb -0.14 -3.28 -0.03 0.00 -1.58 0.00 0.00 42.46 37.42 2b77 s ILE 107 CO -0.04 0.12 -0.08 0.00 -1.23 0.00 0.00 174.94 173.71 2b77 s ALA 108 N 1.61 2.96 -0.02 9.38 0.00 -0.46 -1.00 121.76 134.23 2b77 s ALA 108 Ca 0.05 -0.97 0.03 0.00 0.00 0.00 0.00 51.96 51.06 2b77 s ALA 108 Cb -0.17 -1.14 0.00 0.00 0.00 0.00 0.00 23.12 21.81 2b77 s ALA 108 CO 0.06 0.59 -0.09 0.00 0.00 0.00 0.00 175.76 176.32 2b77 s ALA 109 N -0.90 0.82 -0.17 0.00 0.00 -0.28 -1.64 121.76 119.60 2b77 s ALA 109 Ca 0.15 -0.34 0.01 0.00 0.00 0.00 0.00 51.96 51.77 2b77 s ALA 109 Cb -0.11 -0.29 0.01 0.00 0.00 0.00 0.00 23.12 22.73 2b77 s ALA 109 CO 0.04 0.15 -0.17 -1.17 0.00 0.00 0.00 175.76 174.61 2b77 s LEU 110 N 0.10 2.33 -0.04 0.00 2.96 -0.10 -1.31 118.68 122.62 2b77 s LEU 110 Ca -0.01 -0.55 0.03 0.00 -0.22 0.00 0.00 54.13 53.38 2b77 s LEU 110 Cb -0.07 -1.53 -0.03 0.00 0.50 0.00 0.00 46.19 45.06 2b77 s LEU 110 CO 0.00 0.05 -0.11 -0.76 -1.32 0.00 0.00 176.35 174.21 2b77 s LEU 111 N 1.03 2.90 0.14 -0.68 1.43 -0.02 -1.19 118.68 122.29 2b77 s LEU 111 Ca -0.02 -0.15 0.00 0.00 -1.03 0.00 0.00 54.13 52.94 2b77 s LEU 111 Cb -0.15 -1.62 -0.04 0.00 0.03 0.00 0.00 46.19 44.41 2b77 s LEU 111 CO -0.05 0.34 0.02 -0.44 0.23 0.00 0.00 176.35 176.46 2b77 s SER 112 N -0.86 0.67 0.34 2.29 0.01 0.62 -0.97 113.70 115.80 2b77 s SER 112 Ca 0.12 -1.17 0.06 0.00 1.31 0.00 0.00 55.95 56.27 2b77 s SER 112 Cb -0.11 0.22 0.72 0.00 0.21 0.00 0.00 66.02 67.06 2b77 s SER 112 CO 0.02 -0.65 1.90 -0.65 0.41 0.00 0.00 173.24 174.27 2b77 h PRO 113 N 2.84 0.78 -0.25 12.44 0.11 -2.00 -2.78 132.00 143.14 2b77 h PRO 113 Ca -0.36 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 65.71 2b77 h PRO 113 Cb 1.19 -0.18 0.00 0.00 0.11 0.00 0.00 31.00 32.13 2b77 h PRO 113 CO 0.61 0.51 0.00 0.66 -0.21 0.00 0.00 178.00 179.58 2b77 n TYR 114 N -4.52 0.71 -3.54 0.65 4.02 -1.26 -0.87 117.16 112.35 2b77 n TYR 114 Ca 0.15 -0.78 -0.17 0.00 -0.01 0.00 0.00 57.90 57.09 2b77 n TYR 114 Cb 0.33 -0.22 -0.06 0.00 -0.02 0.00 0.00 39.34 39.37 2b77 n TYR 114 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 176.86 176.30 2b77 s SER 115 N -1.73 -0.64 0.08 7.72 0.15 -1.05 -4.95 113.70 113.28 2b77 s SER 115 Ca 0.35 0.79 -0.10 0.00 0.70 0.00 0.00 55.95 57.68 2b77 s SER 115 Cb 0.27 0.64 0.01 0.00 -1.71 0.00 0.00 66.02 65.22 2b77 s SER 115 CO 0.10 -0.53 0.22 -0.72 1.20 0.00 0.00 173.24 173.51 2b77 s TYR 116 N -0.95 0.07 0.10 3.44 -0.85 -1.26 -0.28 117.35 117.62 2b77 s TYR 116 Ca -0.08 -0.41 0.08 0.00 -0.52 0.00 0.00 57.07 56.14 2b77 s TYR 116 Cb -0.01 -0.01 -0.03 0.00 0.38 0.00 0.00 41.96 42.29 2b77 s TYR 116 CO 0.08 -0.53 -0.19 -1.12 -1.52 0.00 0.00 175.55 172.27 2b77 s SER 117 N -2.59 2.38 -0.00 -0.18 0.01 -0.33 -4.97 113.70 108.02 2b77 s SER 117 Ca 0.01 -0.69 -0.02 0.00 1.31 0.00 0.00 55.95 56.57 2b77 s SER 117 Cb 0.03 -0.12 -0.01 0.00 0.21 0.00 0.00 66.02 66.13 2b77 s SER 117 CO -0.09 0.02 0.03 0.28 0.41 0.00 0.00 173.24 173.90 2b77 s THR 118 N -1.25 0.05 0.05 1.44 -1.32 -1.26 -0.92 115.64 112.43 2b77 s THR 118 Ca 0.05 -0.44 -0.00 0.00 -1.21 0.00 0.00 61.69 60.10 2b77 s THR 118 Cb -0.10 -0.19 -0.03 0.00 -1.51 0.00 0.00 72.50 70.67 2b77 s THR 118 CO 0.04 -0.24 -0.04 0.28 -2.21 0.00 0.00 174.62 172.45 2b77 s THR 119 N -0.73 0.26 -0.12 5.08 -1.32 -0.65 -5.00 115.64 113.16 2b77 s THR 119 Ca -0.08 -1.53 0.01 0.00 -1.21 0.00 0.00 61.69 58.88 2b77 s THR 119 Cb -0.05 -1.13 -0.01 0.00 -1.51 0.00 0.00 72.50 69.80 2b77 s THR 119 CO -0.00 -0.81 -0.16 0.00 -2.21 0.00 0.00 174.62 171.44 2b77 s ALA 120 N -3.04 2.50 -0.26 11.08 0.00 -1.26 -1.35 121.76 129.43 2b77 s ALA 120 Ca 0.00 -0.91 -0.02 0.00 0.00 0.00 0.00 51.96 51.02 2b77 s ALA 120 Cb 0.02 -1.10 0.02 0.00 0.00 0.00 0.00 23.12 22.06 2b77 s ALA 120 CO -0.06 0.27 -0.03 0.08 0.00 0.00 0.00 175.76 176.01 2b77 s VAL 121 N 0.32 3.07 -0.23 0.00 1.01 -0.00 -4.98 120.40 119.59 2b77 s VAL 121 Ca -0.13 -0.99 0.02 0.00 0.00 0.00 0.00 61.98 60.89 2b77 s VAL 121 Cb -0.16 -2.57 0.05 0.00 0.00 0.00 0.00 36.38 33.69 2b77 s VAL 121 CO 0.07 0.16 -0.13 -0.69 0.00 0.00 0.00 175.10 174.50 2b77 s VAL 122 N 1.35 2.09 0.00 2.92 1.01 -1.26 -0.51 120.40 125.99 2b77 s VAL 122 Ca 0.00 -1.38 0.00 0.00 0.00 0.00 0.00 61.98 60.60 2b77 s VAL 122 Cb -0.17 -2.11 0.00 0.00 0.00 0.00 0.00 36.38 34.10 2b77 s VAL 122 CO -0.03 0.15 0.29 0.35 0.00 0.00 0.00 175.10 175.86