#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dnt s SER 2 N 0.00 4.32 -0.07 1.61 0.15 -1.26 -5.08 113.70 113.36 2dnt s SER 2 Ca 0.00 -1.46 -0.31 0.00 0.70 0.00 0.00 55.95 54.88 2dnt s SER 2 Cb 0.00 -1.44 0.08 0.00 -1.71 0.00 0.00 66.02 62.95 2dnt s SER 2 CO 0.00 -0.24 0.71 -0.44 1.20 0.00 0.00 173.24 174.47 2dnt s SER 3 N 1.17 -0.64 0.00 5.45 0.01 -1.26 -5.17 113.70 113.26 2dnt s SER 3 Ca -0.04 0.74 0.00 0.00 1.31 0.00 0.00 55.95 57.95 2dnt s SER 3 Cb -0.19 0.57 0.00 0.00 0.21 0.00 0.00 66.02 66.61 2dnt s SER 3 CO -0.06 -0.56 0.00 0.61 0.41 0.00 0.00 173.24 173.63 2dnt n GLY 4 N 1.00 4.62 3.61 3.44 0.00 -1.26 -4.89 105.19 111.71 2dnt n GLY 4 Ca -0.18 -1.15 -0.04 0.00 0.00 0.00 0.00 46.02 44.66 2dnt n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2dnt s SER 5 N 0.00 -0.11 0.13 1.61 1.04 -1.26 -5.13 113.70 109.98 2dnt s SER 5 Ca 0.00 0.00 0.00 0.00 0.48 0.00 0.00 55.95 56.43 2dnt s SER 5 Cb 0.00 0.12 0.00 0.00 0.10 0.00 0.00 66.02 66.24 2dnt s SER 5 CO 0.00 -0.19 0.00 -1.20 0.98 0.00 0.00 173.24 172.83 2dnt n SER 6 N -0.07 -9.44 0.00 7.02 7.64 -1.26 -5.07 113.62 112.43 2dnt n SER 6 Ca 0.02 1.64 0.00 0.00 1.01 0.00 0.00 58.87 61.53 2dnt n SER 6 Cb 0.58 -5.25 0.00 0.00 -1.01 0.00 0.00 64.21 58.53 2dnt n SER 6 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2dnt n GLY 7 N 1.93 4.62 3.62 0.23 0.00 -1.26 -5.13 105.19 109.20 2dnt n GLY 7 Ca 0.00 -1.26 -0.08 0.00 0.00 0.00 0.00 46.02 44.69 2dnt n GLY 7 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 2dnt s MET 8 N -4.01 0.42 0.43 1.61 1.75 -1.26 -5.16 119.30 113.08 2dnt s MET 8 Ca 0.00 0.31 -0.06 0.00 -1.25 0.00 0.00 55.69 54.69 2dnt s MET 8 Cb 0.00 0.20 -0.04 0.00 2.84 0.00 0.00 34.83 37.83 2dnt s MET 8 CO 0.00 -0.09 0.74 0.00 -0.65 0.00 0.00 175.02 175.02 2dnt s ALA 9 N -0.34 3.43 0.19 4.11 0.00 -1.26 -4.99 121.76 122.90 2dnt s ALA 9 Ca 0.03 -0.47 -0.09 0.00 0.00 0.00 0.00 51.96 51.43 2dnt s ALA 9 Cb -0.03 -2.55 0.10 0.00 0.00 0.00 0.00 23.12 20.64 2dnt s ALA 9 CO -0.05 -0.19 1.70 1.03 0.00 0.00 0.00 175.76 178.24 2dnt h SER 10 N 0.65 1.06 -0.17 0.00 0.87 -2.02 -3.42 113.55 110.52 2dnt h SER 10 Ca -0.47 -0.25 0.11 0.00 -1.23 0.00 0.00 61.79 59.95 2dnt h SER 10 Cb 1.20 -0.28 -0.17 0.00 -0.44 0.00 0.00 62.40 62.71 2dnt h SER 10 CO 0.63 1.04 -0.10 -1.61 -0.53 0.00 0.00 176.83 176.25 2dnt s GLU 11 N -5.26 0.15 0.20 2.24 2.02 -1.26 -5.17 118.70 111.62 2dnt s GLU 11 Ca -0.12 -0.08 0.05 0.00 0.02 0.00 0.00 54.97 54.83 2dnt s GLU 11 Cb 0.14 0.01 -0.03 0.00 0.10 0.00 0.00 34.13 34.35 2dnt s GLU 11 CO 0.85 -0.21 0.25 -1.21 0.02 0.00 0.00 175.26 174.96 2dnt s GLU 12 N 1.70 3.20 0.05 1.61 0.41 -1.26 -5.03 118.70 119.38 2dnt s GLU 12 Ca 0.17 -0.80 -0.25 0.00 -0.41 0.00 0.00 54.97 53.67 2dnt s GLU 12 Cb 0.06 -2.78 -0.17 0.00 -1.78 0.00 0.00 34.13 29.46 2dnt s GLU 12 CO -0.14 0.46 1.57 1.37 -0.49 0.00 0.00 175.26 178.03 2dnt h LEU 13 N 1.82 -0.14 0.00 1.80 -0.00 -2.02 -3.47 115.31 113.30 2dnt h LEU 13 Ca -0.49 -0.12 0.00 0.00 -0.00 0.00 0.00 57.88 57.27 2dnt h LEU 13 Cb 1.21 0.04 0.00 0.00 -0.00 0.00 0.00 40.66 41.91 2dnt h LEU 13 CO 0.64 0.03 0.00 -1.22 -0.00 0.00 0.00 178.44 177.89 2dnt n TYR 14 N -5.10 -0.24 -4.66 0.17 4.02 -1.26 -5.15 117.16 104.94 2dnt n TYR 14 Ca -0.08 0.00 -0.33 0.00 -0.01 0.00 0.00 57.90 57.47 2dnt n TYR 14 Cb 0.15 0.00 -0.13 0.00 -0.02 0.00 0.00 39.34 39.33 2dnt n TYR 14 CO 0.00 0.00 0.00 -2.00 -1.01 0.00 0.00 176.86 173.85 2dnt s GLU 15 N -1.06 3.39 -0.02 -0.72 2.12 -1.26 -5.06 118.70 116.09 2dnt s GLU 15 Ca 0.00 -0.63 -0.34 0.00 0.36 0.00 0.00 54.97 54.36 2dnt s GLU 15 Cb 0.00 -2.70 -0.12 0.00 0.26 0.00 0.00 34.13 31.56 2dnt s GLU 15 CO 0.00 0.27 1.79 0.28 -0.54 0.00 0.00 175.26 177.07 2dnt n VAL 16 N 3.38 0.41 -0.07 3.70 0.31 -1.26 -4.88 118.33 119.93 2dnt n VAL 16 Ca -0.18 -0.07 -0.15 0.00 -0.01 0.00 0.00 64.34 63.92 2dnt n VAL 16 Cb 0.53 -1.77 -0.13 0.00 -0.91 0.00 0.00 33.84 31.56 2dnt n VAL 16 CO 0.00 0.00 0.00 -0.08 -1.32 0.00 0.00 176.83 175.43 2dnt h GLU 17 N 8.25 0.02 0.00 5.55 4.81 -1.95 -3.50 114.58 127.75 2dnt h GLU 17 Ca -0.47 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 58.72 2dnt h GLU 17 Cb 1.27 0.01 0.00 0.00 0.63 0.00 0.00 28.75 30.66 2dnt h GLU 17 CO 0.93 1.01 0.00 2.89 -0.73 0.00 0.00 179.01 183.12 2dnt n ARG 18 N -4.55 0.00 -3.40 1.92 1.85 -1.26 -5.02 116.66 106.20 2dnt n ARG 18 Ca -0.13 0.00 -0.37 0.00 -1.00 0.00 0.00 57.85 56.34 2dnt n ARG 18 Cb 0.53 0.00 -0.06 0.00 -1.05 0.00 0.00 32.46 31.88 2dnt n ARG 18 CO 0.00 0.00 0.00 0.42 -0.01 0.00 0.00 177.63 178.04 2dnt s ILE 19 N -2.00 5.23 -0.49 8.89 -1.09 -1.26 -3.01 121.20 127.47 2dnt s ILE 19 Ca 0.00 0.79 0.13 0.00 -2.23 0.00 0.00 60.65 59.34 2dnt s ILE 19 Cb 0.00 -3.74 -0.16 0.00 -1.58 0.00 0.00 42.46 36.98 2dnt s ILE 19 CO 0.00 0.34 0.50 0.52 -1.23 0.00 0.00 174.94 175.07 2dnt n VAL 20 N 3.72 0.00 -3.95 2.92 0.31 0.60 -4.96 118.33 116.97 2dnt n VAL 20 Ca -0.09 -0.22 0.01 0.00 -0.01 0.00 0.00 64.34 64.04 2dnt n VAL 20 Cb 0.52 0.81 0.01 0.00 -0.91 0.00 0.00 33.84 34.27 2dnt n VAL 20 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 2dnt s ASP 21 N -2.57 0.00 -0.29 4.52 -1.08 -1.18 -4.93 116.67 111.14 2dnt s ASP 21 Ca 0.03 -0.34 -0.16 0.00 -0.52 0.00 0.00 52.55 51.56 2dnt s ASP 21 Cb 0.10 0.25 0.15 0.00 -1.46 0.00 0.00 42.92 41.95 2dnt s ASP 21 CO 0.55 -0.49 0.97 -0.75 0.52 0.00 0.00 175.17 175.98 2dnt s LYS 22 N -2.07 0.37 0.33 4.34 2.20 -1.26 0.69 119.74 124.33 2dnt s LYS 22 Ca 0.27 0.67 -0.04 0.00 -0.36 0.00 0.00 55.97 56.51 2dnt s LYS 22 Cb -0.01 0.14 0.02 0.00 -1.51 0.00 0.00 37.83 36.46 2dnt s LYS 22 CO 0.01 -0.08 0.50 0.54 -0.36 0.00 0.00 175.35 175.96 2dnt n ARG 23 N 3.91 0.72 -4.05 4.03 1.74 0.18 -4.97 116.66 118.21 2dnt n ARG 23 Ca -0.17 -2.51 -0.31 0.00 -0.77 0.00 0.00 57.85 54.09 2dnt n ARG 23 Cb 0.57 2.52 -0.06 0.00 -1.02 0.00 0.00 32.46 34.46 2dnt n ARG 23 CO 0.00 0.00 0.00 0.21 -1.52 0.00 0.00 177.63 176.32 2dnt s LYS 24 N -2.63 2.98 1.08 5.56 2.20 -1.26 0.15 119.74 127.82 2dnt s LYS 24 Ca 0.25 -0.62 -0.18 0.00 -0.36 0.00 0.00 55.97 55.06 2dnt s LYS 24 Cb -0.02 -2.79 0.26 0.00 -1.51 0.00 0.00 37.83 33.77 2dnt s LYS 24 CO 0.18 0.59 1.25 -1.71 -0.36 0.00 0.00 175.35 175.30 2dnt n ASN 25 N 0.60 -0.69 -0.01 1.43 2.85 0.52 -4.85 115.26 115.12 2dnt n ASN 25 Ca -0.09 -1.37 -0.10 0.00 -0.11 0.00 0.00 54.58 52.90 2dnt n ASN 25 Cb 0.52 -1.02 0.04 0.00 1.24 0.00 0.00 39.78 40.56 2dnt n ASN 25 CO 0.00 0.00 0.00 0.50 -2.11 0.00 0.00 177.26 175.65 2dnt h LYS 26 N 0.00 0.60 -0.26 1.20 3.11 -2.00 -3.05 116.57 116.18 2dnt h LYS 26 Ca -0.43 -0.38 -0.18 0.00 -2.81 0.00 0.00 60.65 56.85 2dnt h LYS 26 Cb 1.22 0.04 -0.00 0.00 -1.00 0.00 0.00 32.23 32.49 2dnt h LYS 26 CO 0.29 0.99 -0.56 0.87 -2.81 0.00 0.00 179.45 178.23 2dnt h LYS 27 N 0.46 0.80 0.00 1.90 1.79 -2.06 -3.47 116.57 116.00 2dnt h LYS 27 Ca 0.01 -0.52 0.00 0.00 -2.18 0.00 0.00 60.65 57.96 2dnt h LYS 27 Cb 1.09 0.06 0.00 0.00 -1.58 0.00 0.00 32.23 31.81 2dnt h LYS 27 CO 0.11 1.15 0.00 0.41 -1.08 0.00 0.00 179.45 180.03 2dnt n GLY 28 N 0.36 0.70 3.49 3.86 0.00 -1.15 -5.15 105.19 107.29 2dnt n GLY 28 Ca -0.04 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.65 2dnt n GLY 28 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2dnt s LYS 29 N 0.00 2.43 0.05 1.61 -0.14 -1.26 -4.80 119.74 117.62 2dnt s LYS 29 Ca 0.00 -0.75 -0.30 0.00 -1.36 0.00 0.00 55.97 53.55 2dnt s LYS 29 Cb 0.00 -2.36 -0.05 0.00 -1.68 0.00 0.00 37.83 33.75 2dnt s LYS 29 CO 0.00 0.61 1.12 0.99 -0.76 0.00 0.00 175.35 177.30 2dnt s THR 30 N -0.80 4.31 -0.00 2.17 2.01 -1.26 0.19 115.64 122.26 2dnt s THR 30 Ca 0.13 1.67 0.04 0.00 0.31 0.00 0.00 61.69 63.85 2dnt s THR 30 Cb -0.11 -4.07 -0.01 0.00 0.01 0.00 0.00 72.50 68.32 2dnt s THR 30 CO 0.02 0.14 -0.14 -1.61 -0.69 0.00 0.00 174.62 172.34 2dnt s GLU 31 N 0.98 1.13 -0.11 4.92 2.02 0.40 -2.84 118.70 125.20 2dnt s GLU 31 Ca 0.56 -0.55 0.03 0.00 0.02 0.00 0.00 54.97 55.03 2dnt s GLU 31 Cb -0.27 -1.10 0.01 0.00 0.10 0.00 0.00 34.13 32.87 2dnt s GLU 31 CO 0.29 0.30 -0.20 0.71 0.02 0.00 0.00 175.26 176.38 2dnt s TYR 32 N -0.41 2.32 -0.42 1.61 2.02 0.25 0.47 117.35 123.20 2dnt s TYR 32 Ca 0.05 -1.04 -0.28 0.00 -0.37 0.00 0.00 57.07 55.42 2dnt s TYR 32 Cb -0.06 -1.60 0.00 0.00 -0.40 0.00 0.00 41.96 39.91 2dnt s TYR 32 CO -0.00 -0.47 1.50 -1.17 -1.57 0.00 0.00 175.55 173.84 2dnt s LEU 33 N 0.66 3.53 -0.03 -1.29 2.96 0.22 -1.80 118.68 122.93 2dnt s LEU 33 Ca -0.12 0.83 0.05 0.00 -0.22 0.00 0.00 54.13 54.67 2dnt s LEU 33 Cb -0.16 -3.44 -0.01 0.00 0.50 0.00 0.00 46.19 43.08 2dnt s LEU 33 CO 0.03 -1.56 -0.19 0.54 -1.32 0.00 0.00 176.35 173.85 2dnt s VAL 34 N 5.92 1.57 0.85 1.68 0.11 -1.16 0.22 120.40 129.59 2dnt s VAL 34 Ca 0.64 -0.82 -0.10 0.00 -2.93 0.00 0.00 61.98 58.77 2dnt s VAL 34 Cb -0.15 -1.32 0.15 0.00 -1.53 0.00 0.00 36.38 33.54 2dnt s VAL 34 CO 0.32 0.44 1.18 -0.13 -3.33 0.00 0.00 175.10 173.58 2dnt s ARG 35 N -0.25 1.22 0.06 1.54 1.81 -1.17 -3.77 118.95 118.39 2dnt s ARG 35 Ca 0.02 -0.57 -0.26 0.00 -1.72 0.00 0.00 55.73 53.19 2dnt s ARG 35 Cb -0.10 -2.04 0.08 0.00 -0.45 0.00 0.00 34.95 32.44 2dnt s ARG 35 CO 0.01 -1.93 0.69 -1.58 -0.68 0.00 0.00 175.30 171.81 2dnt s TRP 36 N -3.57 -0.53 0.77 -0.53 0.52 -1.26 -3.88 118.94 110.46 2dnt s TRP 36 Ca 0.69 0.52 -0.13 0.00 0.02 0.00 0.00 56.10 57.20 2dnt s TRP 36 Cb -0.05 0.51 0.06 0.00 -1.15 0.00 0.00 33.47 32.84 2dnt s TRP 36 CO 0.49 -0.71 1.15 0.15 0.02 0.00 0.00 176.95 178.05 2dnt s LYS 37 N -2.87 2.03 0.00 4.98 -0.14 -1.26 -3.19 119.74 119.28 2dnt s LYS 37 Ca -0.01 1.51 0.00 0.00 -1.36 0.00 0.00 55.97 56.11 2dnt s LYS 37 Cb -0.01 -1.84 0.00 0.00 -1.68 0.00 0.00 37.83 34.30 2dnt s LYS 37 CO -0.06 -1.87 0.00 0.41 -0.76 0.00 0.00 175.35 173.07 2dnt n GLY 38 N -0.16 1.57 3.81 -3.33 0.00 -1.26 -4.91 105.19 100.92 2dnt n GLY 38 Ca 0.12 -0.04 -0.38 0.00 0.00 0.00 0.00 46.02 45.71 2dnt n GLY 38 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2dnt s TYR 39 N 0.00 3.78 0.55 1.61 2.02 -1.19 -5.08 117.35 119.03 2dnt s TYR 39 Ca 0.00 1.25 0.02 0.00 -0.37 0.00 0.00 57.07 57.97 2dnt s TYR 39 Cb 0.00 -2.48 0.04 0.00 -0.40 0.00 0.00 41.96 39.12 2dnt s TYR 39 CO 0.00 0.57 0.77 -0.51 -1.57 0.00 0.00 175.55 174.80 2dnt s ASP 40 N -1.19 5.23 0.16 2.29 1.11 -1.26 -4.41 116.67 118.61 2dnt s ASP 40 Ca 0.30 -0.15 -0.27 0.00 0.18 0.00 0.00 52.55 52.62 2dnt s ASP 40 Cb -0.19 -0.70 0.01 0.00 1.07 0.00 0.00 42.92 43.11 2dnt s ASP 40 CO 0.19 -1.16 1.57 -1.28 1.18 0.00 0.00 175.17 175.66 2dnt h SER 41 N 0.10 -1.48 -0.09 0.27 0.87 -1.98 1.42 113.55 112.67 2dnt h SER 41 Ca -0.41 0.23 0.03 0.00 -1.23 0.00 0.00 61.79 60.41 2dnt h SER 41 Cb 1.29 0.66 -0.00 0.00 -0.44 0.00 0.00 62.40 63.91 2dnt h SER 41 CO 0.49 -0.35 0.43 -0.33 -0.53 0.00 0.00 176.83 176.54 2dnt h GLU 42 N -0.28 0.00 -1.01 2.24 5.08 -2.04 0.62 114.58 119.19 2dnt h GLU 42 Ca 0.15 0.00 -0.60 0.00 -1.00 0.00 0.00 59.36 57.91 2dnt h GLU 42 Cb 0.57 0.00 -0.38 0.00 0.50 0.00 0.00 28.75 29.44 2dnt h GLU 42 CO -0.63 0.00 -0.23 -0.25 -1.00 0.00 0.00 179.01 176.89 2dnt n ASP 43 N -2.99 5.81 -4.45 1.42 9.92 0.48 -5.03 116.55 121.71 2dnt n ASP 43 Ca 0.00 -3.76 -0.28 0.00 -0.53 0.00 0.00 54.79 50.22 2dnt n ASP 43 Cb 0.50 -0.57 0.14 0.00 -0.64 0.00 0.00 41.12 40.54 2dnt n ASP 43 CO 0.00 0.00 0.00 1.51 0.13 0.00 0.00 177.20 178.84 2dnt s ASP 44 N -2.96 3.79 0.22 -2.24 1.47 0.22 -4.32 116.67 112.86 2dnt s ASP 44 Ca 0.54 0.18 0.01 0.00 1.18 0.00 0.00 52.55 54.46 2dnt s ASP 44 Cb 0.44 -0.43 -0.05 0.00 -0.34 0.00 0.00 42.92 42.54 2dnt s ASP 44 CO -0.04 -2.28 0.09 0.42 0.68 0.00 0.00 175.17 174.04 2dnt s THR 45 N -3.58 0.41 -0.34 2.11 -4.23 -1.25 -5.08 115.64 103.69 2dnt s THR 45 Ca 0.69 -1.99 0.02 0.00 -1.18 0.00 0.00 61.69 59.23 2dnt s THR 45 Cb -0.06 -2.48 0.09 0.00 1.34 0.00 0.00 72.50 71.39 2dnt s THR 45 CO 0.49 -0.11 0.05 0.26 -0.54 0.00 0.00 174.62 174.78 2dnt s TRP 46 N -3.85 3.64 -0.16 3.99 0.52 -1.26 -2.99 118.94 118.82 2dnt s TRP 46 Ca 0.35 -2.74 -0.09 0.00 0.02 0.00 0.00 56.10 53.65 2dnt s TRP 46 Cb 0.07 -2.79 -0.05 0.00 -1.15 0.00 0.00 33.47 29.56 2dnt s TRP 46 CO 0.11 -0.94 0.14 -1.21 0.02 0.00 0.00 176.95 175.07 2dnt s GLU 47 N 0.99 3.85 0.33 4.98 0.41 -0.75 -4.77 118.70 123.74 2dnt s GLU 47 Ca 0.07 -0.17 -0.27 0.00 -0.41 0.00 0.00 54.97 54.18 2dnt s GLU 47 Cb -0.20 -3.31 -0.09 0.00 -1.78 0.00 0.00 34.13 28.74 2dnt s GLU 47 CO -0.06 0.52 1.07 -1.25 -0.49 0.00 0.00 175.26 175.05 2dnt s PRO 48 N -0.28 4.45 0.22 0.39 0.04 -1.26 0.87 135.00 139.43 2dnt s PRO 48 Ca 0.11 1.67 -0.13 0.00 0.04 0.00 0.00 61.00 62.69 2dnt s PRO 48 Cb -0.11 -2.92 0.25 0.00 0.04 0.00 0.00 34.50 31.76 2dnt s PRO 48 CO 0.01 0.08 1.62 1.49 0.04 0.00 0.00 177.00 180.23 2dnt h GLU 49 N 3.27 -0.01 -0.46 4.56 4.81 -1.88 1.34 114.58 126.21 2dnt h GLU 49 Ca -0.47 0.00 0.13 0.00 -0.13 0.00 0.00 59.36 58.89 2dnt h GLU 49 Cb 1.21 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 30.58 2dnt h GLU 49 CO 0.65 -0.01 0.56 0.37 -0.73 0.00 0.00 179.01 179.85 2dnt h GLN 50 N -0.01 0.00 0.00 1.92 4.15 -1.92 1.28 115.11 120.52 2dnt h GLN 50 Ca 0.32 0.00 -0.18 0.00 0.77 0.00 0.00 58.65 59.56 2dnt h GLN 50 Cb 0.50 0.00 -0.03 0.00 0.21 0.00 0.00 27.48 28.16 2dnt h GLN 50 CO -0.69 0.00 -1.51 0.72 -1.93 0.00 0.00 178.83 175.42 2dnt n HIS 51 N -3.54 0.90 -1.39 3.99 8.25 0.44 -4.23 115.22 119.64 2dnt n HIS 51 Ca 0.09 0.30 -0.27 0.00 -0.26 0.00 0.00 57.72 57.58 2dnt n HIS 51 Cb 0.74 -1.07 -0.08 0.00 1.12 0.00 0.00 29.99 30.70 2dnt n HIS 51 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 2dnt n LEU 52 N -2.87 6.76 -4.77 2.41 4.77 0.44 -4.94 117.00 118.80 2dnt n LEU 52 Ca -0.11 -3.98 -0.39 0.00 -0.03 0.00 0.00 56.01 51.49 2dnt n LEU 52 Cb 0.86 -1.37 -0.02 0.00 -2.33 0.00 0.00 43.42 40.56 2dnt n LEU 52 CO 0.43 1.84 0.88 0.68 -1.33 0.00 0.00 177.39 179.90 2dnt s VAL 53 N -0.23 3.00 -1.80 4.08 -7.23 -1.23 -2.05 120.40 114.94 2dnt s VAL 53 Ca 0.63 0.89 0.00 0.00 -1.81 0.00 0.00 61.98 61.69 2dnt s VAL 53 Cb 0.29 -3.52 0.00 0.00 0.56 0.00 0.00 36.38 33.71 2dnt s VAL 53 CO -0.10 0.13 0.00 0.59 -0.31 0.00 0.00 175.10 175.41 2dnt n ASN 54 N 0.30 -5.42 0.00 4.85 3.02 -1.26 -4.73 115.26 112.02 2dnt n ASN 54 Ca 0.03 0.42 0.00 0.00 -0.03 0.00 0.00 54.58 55.00 2dnt n ASN 54 Cb 0.45 -4.51 0.00 0.00 -0.61 0.00 0.00 39.78 35.11 2dnt n ASN 54 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2dnt h GLU 56 N 0.00 0.37 -0.05 0.00 5.08 -1.85 -2.85 114.58 115.28 2dnt h GLU 56 Ca 0.00 -0.02 0.01 0.00 -1.00 0.00 0.00 59.36 58.34 2dnt h GLU 56 Cb 0.51 -0.08 -0.01 0.00 0.50 0.00 0.00 28.75 29.67 2dnt h GLU 56 CO 0.00 0.24 -0.06 1.49 -1.00 0.00 0.00 179.01 179.69 2dnt h GLU 57 N 0.38 -0.03 -0.55 2.33 4.57 -1.94 1.13 114.58 120.48 2dnt h GLU 57 Ca 0.29 0.00 0.11 0.00 -1.18 0.00 0.00 59.36 58.58 2dnt h GLU 57 Cb 0.61 0.01 -0.10 0.00 -0.16 0.00 0.00 28.75 29.11 2dnt h GLU 57 CO -0.08 -0.02 -0.08 1.88 -1.18 0.00 0.00 179.01 179.53 2dnt h TYR 58 N -0.04 -0.19 0.23 0.92 0.05 -1.85 -0.37 116.97 115.72 2dnt h TYR 58 Ca 0.01 0.05 0.01 0.00 0.05 0.00 0.00 58.73 58.84 2dnt h TYR 58 Cb 0.06 0.17 -0.04 0.00 1.01 0.00 0.00 36.73 37.93 2dnt h TYR 58 CO -0.65 -0.20 -0.50 0.82 -1.05 0.00 0.00 178.16 176.58 2dnt h ILE 59 N 0.04 0.04 -0.70 -2.88 2.04 -1.16 0.75 117.51 115.64 2dnt h ILE 59 Ca 0.27 0.00 0.13 0.00 1.00 0.00 0.00 64.86 66.26 2dnt h ILE 59 Cb 0.42 0.04 -0.13 0.00 -0.74 0.00 0.00 36.82 36.41 2dnt h ILE 59 CO -0.53 0.00 -0.24 0.45 0.00 0.00 0.00 178.15 177.83 2dnt h HIS 60 N -0.81 -0.60 0.13 1.37 3.86 0.22 1.52 115.15 120.84 2dnt h HIS 60 Ca -0.02 0.07 0.00 0.00 -1.16 0.00 0.00 60.37 59.27 2dnt h HIS 60 Cb 0.78 0.37 -0.01 0.00 1.06 0.00 0.00 27.41 29.61 2dnt h HIS 60 CO -0.38 -0.34 -0.13 0.22 0.86 0.00 0.00 177.93 178.16 2dnt h ASP 61 N -0.05 -0.33 -0.98 2.45 1.82 -0.23 0.78 116.42 119.87 2dnt h ASP 61 Ca 0.32 0.03 0.08 0.00 -0.39 0.00 0.00 57.03 57.06 2dnt h ASP 61 Cb 0.55 0.12 -0.07 0.00 0.68 0.00 0.00 39.33 40.61 2dnt h ASP 61 CO -0.75 -0.19 0.63 0.15 -1.61 0.00 0.00 179.24 177.47 2dnt h PHE 62 N -0.28 1.16 -0.09 0.28 3.04 0.33 -1.18 116.94 120.21 2dnt h PHE 62 Ca 0.00 0.03 -0.00 0.00 3.98 0.00 0.00 57.97 61.98 2dnt h PHE 62 Cb 0.27 -0.38 -0.00 0.00 2.56 0.00 0.00 35.95 38.39 2dnt h PHE 62 CO -0.12 0.57 0.04 -0.91 -2.02 0.00 0.00 178.31 175.87 2dnt h ASN 63 N 1.11 0.11 -0.57 0.41 2.35 0.26 -2.10 115.58 117.16 2dnt h ASN 63 Ca 0.44 -0.11 0.09 0.00 -0.55 0.00 0.00 56.30 56.17 2dnt h ASN 63 Cb 0.24 -0.03 -0.07 0.00 0.05 0.00 0.00 38.32 38.51 2dnt h ASN 63 CO -0.18 0.19 0.17 0.03 -1.65 0.00 0.00 177.43 175.99 2dnt h ARG 64 N 0.02 0.32 0.11 0.81 2.47 -0.02 0.38 114.38 118.48 2dnt h ARG 64 Ca 0.03 -0.02 0.02 0.00 -1.26 0.00 0.00 59.98 58.75 2dnt h ARG 64 Cb 0.11 -0.07 -0.04 0.00 -1.65 0.00 0.00 29.97 28.31 2dnt h ARG 64 CO -0.00 0.21 -0.35 0.00 0.56 0.00 0.00 179.97 180.39 2dnt h ARG 65 N 0.33 -0.55 0.27 0.04 2.47 -0.94 -2.85 114.38 113.14 2dnt h ARG 65 Ca 0.29 0.04 -0.00 0.00 -1.26 0.00 0.00 59.98 59.04 2dnt h ARG 65 Cb 0.38 0.13 -0.03 0.00 -1.65 0.00 0.00 29.97 28.80 2dnt h ARG 65 CO -0.32 -0.37 -0.40 1.25 0.56 0.00 0.00 179.97 180.69 2dnt h HIS 66 N -0.57 -1.12 -3.15 3.04 2.76 -0.72 -3.40 115.15 111.99 2dnt h HIS 66 Ca 0.03 0.02 -0.65 0.00 -2.20 0.00 0.00 60.37 57.57 2dnt h HIS 66 Cb 0.61 0.45 -0.35 0.00 1.55 0.00 0.00 27.41 29.68 2dnt h HIS 66 CO -0.32 -0.49 -0.86 0.95 -1.30 0.00 0.00 177.93 175.91 2dnt s THR 67 N -5.15 1.92 0.14 6.26 -4.23 0.06 -5.02 115.64 109.62 2dnt s THR 67 Ca -0.13 -0.87 -0.26 0.00 -1.18 0.00 0.00 61.69 59.25 2dnt s THR 67 Cb 0.04 -1.73 -0.01 0.00 1.34 0.00 0.00 72.50 72.14 2dnt s THR 67 CO 0.46 0.52 1.60 -0.33 -0.54 0.00 0.00 174.62 176.33 2dnt h GLU 68 N 7.67 -0.36 0.00 3.99 5.08 -1.74 -3.35 114.58 125.87 2dnt h GLU 68 Ca -0.38 0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.00 2dnt h GLU 68 Cb 1.16 0.08 0.00 0.00 0.50 0.00 0.00 28.75 30.49 2dnt h GLU 68 CO 0.57 -0.24 0.00 1.63 -1.00 0.00 0.00 179.01 179.97 2dnt n LYS 69 N -5.42 0.00 -3.60 2.33 4.76 -1.26 -4.60 118.16 110.38 2dnt n LYS 69 Ca -0.02 0.00 -0.07 0.00 -2.87 0.00 0.00 58.31 55.35 2dnt n LYS 69 Cb 0.34 0.00 -0.04 0.00 -1.84 0.00 0.00 35.03 33.49 2dnt n LYS 69 CO 0.00 0.00 0.00 1.14 -1.37 0.00 0.00 177.40 177.17 2dnt s GLN 70 N 0.00 0.38 0.46 1.97 -2.07 -1.26 -5.15 119.66 113.99 2dnt s GLN 70 Ca 0.00 0.03 0.00 0.00 -1.82 0.00 0.00 55.36 53.57 2dnt s GLN 70 Cb 0.00 0.18 0.00 0.00 -1.09 0.00 0.00 33.01 32.10 2dnt s GLN 70 CO 0.00 -0.13 0.00 1.17 -1.32 0.00 0.00 175.29 175.01 2dnt n LYS 71 N 0.46 -3.92 -1.41 9.60 3.00 -1.26 -5.02 118.16 119.62 2dnt n LYS 71 Ca -0.05 2.93 0.00 0.00 -0.00 0.00 0.00 58.31 61.19 2dnt n LYS 71 Cb 0.58 -3.31 0.00 0.00 0.00 0.00 0.00 35.03 32.30 2dnt n LYS 71 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.40 175.49 2dnt n GLU 72 N -0.99 0.00 -0.09 1.64 0.00 -1.26 -5.00 120.64 114.94 2dnt n GLU 72 Ca 0.00 0.47 -0.14 0.00 0.00 0.00 0.00 57.16 57.49 2dnt n GLU 72 Cb 0.02 -0.94 -0.06 0.00 0.00 0.00 0.00 31.44 30.46 2dnt n GLU 72 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.13 176.00 2dnt n SER 73 N 0.00 1.85 0.00 4.31 3.41 -1.26 -4.99 113.62 116.94 2dnt n SER 73 Ca 0.00 0.51 0.00 0.00 -0.26 0.00 0.00 58.87 59.12 2dnt n SER 73 Cb 0.00 -0.90 0.00 0.00 -0.26 0.00 0.00 64.21 63.05 2dnt n SER 73 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2dnt n GLY 74 N 1.50 0.68 2.44 5.00 0.00 -1.26 -4.15 105.19 109.40 2dnt n GLY 74 Ca -0.21 -1.26 -0.27 0.00 0.00 0.00 0.00 46.02 44.27 2dnt n GLY 74 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2dnt n PRO 75 N 6.31 2.63 -1.84 1.61 -0.04 -1.26 -4.67 135.00 137.74 2dnt n PRO 75 Ca 0.00 -1.65 0.00 0.00 -0.04 0.00 0.00 63.50 61.81 2dnt n PRO 75 Cb 0.00 -2.51 0.00 0.00 -0.04 0.00 0.00 33.50 30.95 2dnt n PRO 75 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 2dnt n SER 76 N 3.77 -7.11 -4.61 3.54 7.64 -1.26 -4.80 113.62 110.79 2dnt n SER 76 Ca 0.56 1.19 -0.43 0.00 1.01 0.00 0.00 58.87 61.20 2dnt n SER 76 Cb 0.24 -3.88 -0.03 0.00 -1.01 0.00 0.00 64.21 59.53 2dnt n SER 76 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 2dnt s SER 77 N -0.40 5.98 0.00 6.43 0.15 -1.26 -5.12 113.70 119.49 2dnt s SER 77 Ca 0.00 1.40 0.00 0.00 0.70 0.00 0.00 55.95 58.05 2dnt s SER 77 Cb 0.00 -2.53 0.00 0.00 -1.71 0.00 0.00 66.02 61.78 2dnt s SER 77 CO 0.00 -1.62 0.00 0.61 1.20 0.00 0.00 173.24 173.43