#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 -0.12 -0.15 1.61 0.15 -1.26 -5.15 113.70 108.78 2dnt s SER 2 Ca 0.00 0.22 -0.34 0.00 0.70 0.00 0.00 55.95 56.52 2dnt s SER 2 Cb 0.00 0.27 0.15 0.00 -1.71 0.00 0.00 66.02 64.73 2dnt s SER 2 CO 0.00 -0.08 1.38 -0.94 1.20 0.00 0.00 173.24 174.79 2dnt s SER 3 N -0.09 -0.03 -0.03 5.45 1.04 -1.26 -5.10 113.70 113.68 2dnt s SER 3 Ca -0.02 -0.03 -0.03 0.00 0.48 0.00 0.00 55.95 56.35 2dnt s SER 3 Cb -0.02 0.05 -0.01 0.00 0.10 0.00 0.00 66.02 66.14 2dnt s SER 3 CO 0.00 -0.09 -0.06 0.61 0.98 0.00 0.00 173.24 174.68 2dnt n GLY 4 N -0.32 -0.34 1.25 7.32 0.00 -1.26 -5.13 105.19 106.71 2dnt n GLY 4 Ca -0.04 -0.06 0.00 0.00 0.00 0.00 0.00 46.02 45.92 2dnt n GLY 4 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2dnt n SER 5 N -2.92 -6.97 -1.41 1.61 7.64 -1.26 -5.00 113.62 105.31 2dnt n SER 5 Ca -0.03 0.95 0.06 0.00 1.01 0.00 0.00 58.87 60.86 2dnt n SER 5 Cb 0.09 -3.34 -0.03 0.00 -1.01 0.00 0.00 64.21 59.92 2dnt n SER 5 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 2dnt n SER 6 N -0.45 -7.63 -1.14 6.43 7.64 -1.26 -4.99 113.62 112.22 2dnt n SER 6 Ca 0.00 1.61 0.00 0.00 1.01 0.00 0.00 58.87 61.49 2dnt n SER 6 Cb 0.00 -4.62 0.00 0.00 -1.01 0.00 0.00 64.21 58.58 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 -3.12 1.06 0.66 0.23 0.00 -1.26 -5.07 105.19 97.69 2dnt n GLY 7 Ca -0.03 -1.47 0.00 0.00 0.00 0.00 0.00 46.02 44.51 2dnt n GLY 7 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 173.32 173.19 2dnt n MET 8 N 0.00 0.00 -0.01 1.61 0.00 -1.26 -5.04 117.12 112.42 2dnt n MET 8 Ca 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 57.70 57.68 2dnt n MET 8 Cb 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 33.22 33.21 2dnt n MET 8 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 2dnt n ALA 9 N -3.05 1.69 -0.74 -5.12 0.00 -1.26 -5.04 120.51 106.98 2dnt n ALA 9 Ca 0.00 -0.28 -0.33 0.00 0.00 0.00 0.00 53.44 52.82 2dnt n ALA 9 Cb 0.00 0.07 0.14 0.00 0.00 0.00 0.00 19.45 19.66 2dnt n ALA 9 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 2dnt n SER 10 N -3.28 -2.54 -3.67 0.00 7.64 -1.26 -5.02 113.62 105.49 2dnt n SER 10 Ca -0.04 -0.02 -0.12 0.00 1.01 0.00 0.00 58.87 59.70 2dnt n SER 10 Cb 0.14 -0.94 -0.12 0.00 -1.01 0.00 0.00 64.21 62.28 2dnt n SER 10 CO 0.00 0.00 0.00 -1.61 -3.01 0.00 0.00 175.04 170.42 2dnt s GLU 11 N -3.25 0.19 0.29 1.43 2.02 -1.26 -4.96 118.70 113.16 2dnt s GLU 11 Ca 0.53 0.79 0.11 0.00 0.02 0.00 0.00 54.97 56.42 2dnt s GLU 11 Cb -0.11 0.03 -0.05 0.00 0.10 0.00 0.00 34.13 34.10 2dnt s GLU 11 CO 0.67 -0.26 -0.13 -1.21 0.02 0.00 0.00 175.26 174.34 2dnt s GLU 12 N 2.32 1.86 0.08 1.61 0.41 -1.26 -5.05 118.70 118.67 2dnt s GLU 12 Ca -0.01 -1.70 -0.27 0.00 -0.41 0.00 0.00 54.97 52.58 2dnt s GLU 12 Cb -0.12 -1.86 -0.16 0.00 -1.78 0.00 0.00 34.13 30.21 2dnt s GLU 12 CO -0.09 0.31 1.69 1.37 -0.49 0.00 0.00 175.26 178.04 2dnt h LEU 13 N 2.13 -0.37 0.00 1.80 -0.00 -2.07 -3.46 115.31 113.34 2dnt h LEU 13 Ca -0.41 0.02 0.00 0.00 -0.00 0.00 0.00 57.88 57.49 2dnt h LEU 13 Cb 1.26 0.10 0.00 0.00 -0.00 0.00 0.00 40.66 42.02 2dnt h LEU 13 CO 0.61 -0.25 0.00 -1.22 -0.00 0.00 0.00 178.44 177.58 2dnt n TYR 14 N -5.27 0.00 -3.93 0.17 4.02 -1.26 -5.18 117.16 105.71 2dnt n TYR 14 Ca -0.10 0.00 -0.13 0.00 -0.01 0.00 0.00 57.90 57.67 2dnt n TYR 14 Cb 0.19 0.00 -0.14 0.00 -0.02 0.00 0.00 39.34 39.37 2dnt n TYR 14 CO 0.00 0.00 0.00 -1.83 -1.01 0.00 0.00 176.86 174.02 2dnt s GLU 15 N -1.06 0.10 -0.21 -0.72 -1.05 -1.26 -5.11 118.70 109.39 2dnt s GLU 15 Ca 0.00 -0.06 -0.29 0.00 -0.15 0.00 0.00 54.97 54.46 2dnt s GLU 15 Cb 0.00 -0.08 -0.02 0.00 -0.44 0.00 0.00 34.13 33.59 2dnt s GLU 15 CO 0.00 0.02 1.44 0.08 0.95 0.00 0.00 175.26 177.75 2dnt s VAL 16 N -0.09 3.96 -0.01 1.83 1.01 -1.26 -4.87 120.40 120.98 2dnt s VAL 16 Ca -0.00 1.12 -0.24 0.00 0.00 0.00 0.00 61.98 62.85 2dnt s VAL 16 Cb -0.01 -3.88 -0.17 0.00 0.00 0.00 0.00 36.38 32.32 2dnt s VAL 16 CO -0.00 -0.27 1.19 -0.08 0.00 0.00 0.00 175.10 175.94 2dnt h GLU 17 N 9.50 -0.22 0.00 2.72 4.81 -1.95 -3.49 114.58 125.94 2dnt h GLU 17 Ca -0.30 0.02 0.00 0.00 -0.13 0.00 0.00 59.36 58.94 2dnt h GLU 17 Cb 1.13 0.05 0.00 0.00 0.63 0.00 0.00 28.75 30.56 2dnt h GLU 17 CO 1.00 0.15 0.00 2.89 -0.73 0.00 0.00 179.01 182.32 2dnt n ARG 18 N -5.01 0.00 -3.16 1.92 1.85 -1.26 -5.00 116.66 106.00 2dnt n ARG 18 Ca -0.09 0.00 -0.40 0.00 -1.00 0.00 0.00 57.85 56.37 2dnt n ARG 18 Cb 0.25 0.00 -0.06 0.00 -1.05 0.00 0.00 32.46 31.60 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 5.05 -0.04 8.89 -1.09 -1.26 -2.74 121.20 128.01 2dnt s ILE 19 Ca 0.00 1.11 0.19 0.00 -2.23 0.00 0.00 60.65 59.72 2dnt s ILE 19 Cb 0.00 -3.91 -0.30 0.00 -1.58 0.00 0.00 42.46 36.67 2dnt s ILE 19 CO 0.00 0.14 0.40 0.52 -1.23 0.00 0.00 174.94 174.77 2dnt n VAL 20 N 4.61 0.09 -3.83 2.92 0.31 0.50 -4.94 118.33 118.00 2dnt n VAL 20 Ca -0.03 -0.47 -0.06 0.00 -0.01 0.00 0.00 64.34 63.78 2dnt n VAL 20 Cb 0.50 0.01 0.01 0.00 -0.91 0.00 0.00 33.84 33.45 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 -4.32 -0.08 -0.29 4.52 -1.08 -1.08 -4.95 116.67 109.38 2dnt s ASP 21 Ca -0.07 -0.78 -0.16 0.00 -0.52 0.00 0.00 52.55 51.02 2dnt s ASP 21 Cb 0.12 0.66 0.16 0.00 -1.46 0.00 0.00 42.92 42.40 2dnt s ASP 21 CO 0.81 -1.28 1.04 -0.75 0.52 0.00 0.00 175.17 175.51 2dnt s LYS 22 N -2.74 0.29 0.38 4.34 2.20 -1.26 0.90 119.74 123.85 2dnt s LYS 22 Ca 0.16 0.53 -0.08 0.00 -0.36 0.00 0.00 55.97 56.22 2dnt s LYS 22 Cb -0.04 0.09 0.03 0.00 -1.51 0.00 0.00 37.83 36.40 2dnt s LYS 22 CO 0.07 -0.07 0.63 1.03 -0.36 0.00 0.00 175.35 176.65 2dnt s ARG 23 N 1.38 2.12 0.25 4.03 1.81 0.26 -4.99 118.95 123.81 2dnt s ARG 23 Ca -0.08 -1.67 0.11 0.00 -1.72 0.00 0.00 55.73 52.37 2dnt s ARG 23 Cb -0.03 0.53 -0.05 0.00 -0.45 0.00 0.00 34.95 34.95 2dnt s ARG 23 CO -0.14 -0.94 -0.18 0.21 -0.68 0.00 0.00 175.30 173.57 2dnt s LYS 24 N -2.56 1.74 0.43 3.54 2.20 -1.26 -0.13 119.74 123.69 2dnt s LYS 24 Ca 0.24 -1.62 0.08 0.00 -0.36 0.00 0.00 55.97 54.31 2dnt s LYS 24 Cb -0.03 -1.87 0.01 0.00 -1.51 0.00 0.00 37.83 34.43 2dnt s LYS 24 CO 0.17 0.36 0.54 -0.80 -0.36 0.00 0.00 175.35 175.26 2dnt s ASN 25 N -3.24 5.47 0.51 1.43 0.01 -0.92 -4.93 114.94 113.27 2dnt s ASN 25 Ca 0.27 -0.53 0.26 0.00 -0.71 0.00 0.00 52.86 52.14 2dnt s ASN 25 Cb -0.06 -0.57 1.35 0.00 0.41 0.00 0.00 41.25 42.38 2dnt s ASN 25 CO 0.14 -0.77 1.92 0.07 -1.51 0.00 0.00 177.10 176.95 2dnt h LYS 26 N 0.71 0.10 -0.42 -0.60 5.09 -2.01 0.43 116.57 119.86 2dnt h LYS 26 Ca -0.40 -0.01 -0.10 0.00 0.09 0.00 0.00 60.65 60.24 2dnt h LYS 26 Cb 1.28 -0.02 -0.01 0.00 0.10 0.00 0.00 32.23 33.57 2dnt h LYS 26 CO 0.48 0.07 -0.14 0.87 -2.09 0.00 0.00 179.45 178.64 2dnt h LYS 27 N 0.10 0.84 0.00 0.07 1.57 -2.05 -3.47 116.57 113.63 2dnt h LYS 27 Ca 0.37 -0.34 0.00 0.00 -1.87 0.00 0.00 60.65 58.81 2dnt h LYS 27 Cb 1.30 -0.04 0.00 0.00 0.08 0.00 0.00 32.23 33.57 2dnt h LYS 27 CO -0.04 0.97 0.00 0.41 -0.57 0.00 0.00 179.45 180.22 2dnt n GLY 28 N -0.16 1.49 3.73 3.86 0.00 0.15 -5.11 105.19 109.16 2dnt n GLY 28 Ca -0.01 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.60 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 -0.15 4.71 -0.11 1.61 -0.14 -1.26 -4.75 119.74 119.65 2dnt s LYS 29 Ca 0.00 1.42 -0.25 0.00 -1.36 0.00 0.00 55.97 55.78 2dnt s LYS 29 Cb 0.00 -3.36 -0.03 0.00 -1.68 0.00 0.00 37.83 32.77 2dnt s LYS 29 CO 0.00 0.28 0.80 0.99 -0.76 0.00 0.00 175.35 176.66 2dnt s THR 30 N -0.23 4.94 -0.02 2.17 2.01 -1.26 -2.16 115.64 121.09 2dnt s THR 30 Ca 0.45 1.62 0.06 0.00 0.31 0.00 0.00 61.69 64.13 2dnt s THR 30 Cb -0.24 -4.13 -0.02 0.00 0.01 0.00 0.00 72.50 68.13 2dnt s THR 30 CO 0.30 0.13 -0.20 -1.61 -0.69 0.00 0.00 174.62 172.55 2dnt s GLU 31 N 1.47 1.61 -0.17 4.92 0.41 0.81 -3.08 118.70 124.67 2dnt s GLU 31 Ca 0.40 -0.71 0.01 0.00 -0.41 0.00 0.00 54.97 54.26 2dnt s GLU 31 Cb -0.18 -1.56 0.02 0.00 -1.78 0.00 0.00 34.13 30.64 2dnt s GLU 31 CO 0.17 0.42 -0.19 0.71 -0.49 0.00 0.00 175.26 175.89 2dnt s TYR 32 N -0.46 2.62 -0.38 1.61 2.02 0.11 -0.58 117.35 122.30 2dnt s TYR 32 Ca 0.07 -1.54 -0.28 0.00 -0.37 0.00 0.00 57.07 54.95 2dnt s TYR 32 Cb -0.08 -1.84 -0.01 0.00 -0.40 0.00 0.00 41.96 39.64 2dnt s TYR 32 CO -0.01 -0.77 1.63 -1.17 -1.57 0.00 0.00 175.55 173.66 2dnt s LEU 33 N 1.33 3.53 0.03 -1.29 2.96 0.26 -1.42 118.68 124.08 2dnt s LEU 33 Ca 0.05 1.05 0.09 0.00 -0.22 0.00 0.00 54.13 55.10 2dnt s LEU 33 Cb -0.13 -3.49 -0.03 0.00 0.50 0.00 0.00 46.19 43.04 2dnt s LEU 33 CO -0.12 -1.61 -0.26 0.54 -1.32 0.00 0.00 176.35 173.58 2dnt s VAL 34 N 6.30 2.14 0.83 1.68 0.11 -0.94 0.19 120.40 130.70 2dnt s VAL 34 Ca 0.71 -1.33 -0.09 0.00 -2.93 0.00 0.00 61.98 58.35 2dnt s VAL 34 Cb -0.18 -1.81 0.15 0.00 -1.53 0.00 0.00 36.38 33.01 2dnt s VAL 34 CO 0.33 0.41 1.15 -0.60 -3.33 0.00 0.00 175.10 173.06 2dnt s ARG 35 N -1.11 1.29 -0.06 1.54 3.52 -1.11 -3.25 118.95 119.78 2dnt s ARG 35 Ca 0.11 -0.63 -0.30 0.00 -0.13 0.00 0.00 55.73 54.78 2dnt s ARG 35 Cb -0.10 -2.08 0.09 0.00 -1.56 0.00 0.00 34.95 31.30 2dnt s ARG 35 CO 0.01 -1.86 0.76 -1.58 -0.81 0.00 0.00 175.30 171.82 2dnt s TRP 36 N -3.51 -0.56 0.40 5.12 0.52 -1.26 -3.78 118.94 115.86 2dnt s TRP 36 Ca 0.69 0.90 -0.26 0.00 0.02 0.00 0.00 56.10 57.45 2dnt s TRP 36 Cb -0.06 0.44 -0.09 0.00 -1.15 0.00 0.00 33.47 32.62 2dnt s TRP 36 CO 0.48 -0.56 1.24 -1.59 0.02 0.00 0.00 176.95 176.54 2dnt s LYS 37 N -1.48 4.04 0.00 4.98 -2.85 -1.26 -2.99 119.74 120.18 2dnt s LYS 37 Ca -0.07 2.01 0.00 0.00 -1.00 0.00 0.00 55.97 56.91 2dnt s LYS 37 Cb -0.00 -2.75 0.00 0.00 -2.06 0.00 0.00 37.83 33.02 2dnt s LYS 37 CO 0.05 -0.38 0.00 0.41 0.10 0.00 0.00 175.35 175.53 2dnt n GLY 38 N 0.69 2.16 3.71 0.59 0.00 -1.26 -4.97 105.19 106.10 2dnt n GLY 38 Ca 0.04 -0.41 -0.41 0.00 0.00 0.00 0.00 46.02 45.24 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 -0.21 3.59 0.02 1.61 2.02 -1.16 -5.05 117.35 118.17 2dnt s TYR 39 Ca 0.00 1.44 -0.00 0.00 -0.37 0.00 0.00 57.07 58.13 2dnt s TYR 39 Cb 0.00 -2.96 0.01 0.00 -0.40 0.00 0.00 41.96 38.61 2dnt s TYR 39 CO 0.00 0.01 0.02 -0.25 -1.57 0.00 0.00 175.55 173.76 2dnt n ASP 40 N 4.01 -0.85 0.06 2.29 9.92 -1.26 -4.47 116.55 126.25 2dnt n ASP 40 Ca 0.02 -0.60 -0.13 0.00 -0.53 0.00 0.00 54.79 53.56 2dnt n ASP 40 Cb 0.51 -0.02 -0.09 0.00 -0.64 0.00 0.00 41.12 40.88 2dnt n ASP 40 CO 0.00 0.00 0.00 -1.28 0.13 0.00 0.00 177.20 176.05 2dnt h SER 41 N -0.86 -0.14 0.27 -2.24 0.87 -1.96 -0.77 113.55 108.72 2dnt h SER 41 Ca -0.01 -0.27 0.00 0.00 -1.23 0.00 0.00 61.79 60.28 2dnt h SER 41 Cb 0.02 0.04 0.00 0.00 -0.44 0.00 0.00 62.40 62.02 2dnt h SER 41 CO 0.01 0.21 0.00 -0.62 -0.53 0.00 0.00 176.83 175.89 2dnt n GLU 42 N -5.01 0.08 0.05 2.24 1.02 -1.26 -0.50 120.64 117.27 2dnt n GLU 42 Ca -0.09 0.46 0.08 0.00 -0.02 0.00 0.00 57.16 57.60 2dnt n GLU 42 Cb 0.21 -1.70 -0.07 0.00 -0.02 0.00 0.00 31.44 29.86 2dnt n GLU 42 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 2dnt n ASP 43 N -1.86 0.60 -4.33 1.62 9.92 -0.92 -4.96 116.55 116.62 2dnt n ASP 43 Ca 0.01 0.24 -0.42 0.00 -0.53 0.00 0.00 54.79 54.09 2dnt n ASP 43 Cb 0.10 0.80 -0.00 0.00 -0.64 0.00 0.00 41.12 41.37 2dnt n ASP 43 CO 0.00 0.00 0.00 0.47 0.13 0.00 0.00 177.20 177.80 2dnt n ASP 44 N -2.62 -2.43 -4.77 -2.24 8.00 0.35 -4.85 116.55 107.99 2dnt n ASP 44 Ca -0.04 0.85 -0.25 0.00 0.71 0.00 0.00 54.79 56.06 2dnt n ASP 44 Cb 0.64 -0.93 -0.06 0.00 -0.02 0.00 0.00 41.12 40.75 2dnt n ASP 44 CO 0.00 0.00 0.00 0.42 -0.39 0.00 0.00 177.20 177.23 2dnt s THR 45 N -1.60 2.28 -0.27 -3.53 -4.23 -1.20 -5.00 115.64 102.08 2dnt s THR 45 Ca 0.60 -1.65 -0.02 0.00 -1.18 0.00 0.00 61.69 59.44 2dnt s THR 45 Cb -0.65 -2.93 0.03 0.00 1.34 0.00 0.00 72.50 70.29 2dnt s THR 45 CO 0.61 0.00 -0.03 0.26 -0.54 0.00 0.00 174.62 174.93 2dnt s TRP 46 N -2.60 3.15 -0.14 3.99 0.52 -1.26 -2.22 118.94 120.37 2dnt s TRP 46 Ca 0.41 -1.64 -0.05 0.00 0.02 0.00 0.00 56.10 54.84 2dnt s TRP 46 Cb 0.03 -2.09 -0.04 0.00 -1.15 0.00 0.00 33.47 30.22 2dnt s TRP 46 CO 0.23 -0.75 0.03 -1.21 0.02 0.00 0.00 176.95 175.27 2dnt s GLU 47 N 1.31 3.59 0.23 4.98 0.41 -0.51 -4.80 118.70 123.92 2dnt s GLU 47 Ca -0.02 -0.38 -0.30 0.00 -0.41 0.00 0.00 54.97 53.87 2dnt s GLU 47 Cb -0.18 -3.03 -0.09 0.00 -1.78 0.00 0.00 34.13 29.05 2dnt s GLU 47 CO -0.03 0.43 1.10 -1.25 -0.49 0.00 0.00 175.26 175.02 2dnt s PRO 48 N -0.11 4.62 0.18 0.39 0.04 -1.26 0.06 135.00 138.93 2dnt s PRO 48 Ca 0.05 1.76 -0.24 0.00 0.04 0.00 0.00 61.00 62.62 2dnt s PRO 48 Cb -0.12 -3.23 0.08 0.00 0.04 0.00 0.00 34.50 31.27 2dnt s PRO 48 CO 0.02 0.15 1.56 1.49 0.04 0.00 0.00 177.00 180.26 2dnt h GLU 49 N 4.43 -0.13 -1.21 4.56 4.81 -1.89 1.52 114.58 126.65 2dnt h GLU 49 Ca -0.46 0.01 0.35 0.00 -0.13 0.00 0.00 59.36 59.13 2dnt h GLU 49 Cb 1.21 0.03 -0.06 0.00 0.63 0.00 0.00 28.75 30.56 2dnt h GLU 49 CO 0.70 -0.09 0.85 0.37 -0.73 0.00 0.00 179.01 180.11 2dnt h GLN 50 N -0.14 0.07 0.04 1.92 4.15 -1.92 1.33 115.11 120.56 2dnt h GLN 50 Ca 0.22 -0.00 -0.26 0.00 0.77 0.00 0.00 58.65 59.38 2dnt h GLN 50 Cb 0.55 -0.01 -0.03 0.00 0.21 0.00 0.00 27.48 28.20 2dnt h GLN 50 CO -0.79 0.04 -1.33 0.45 -1.93 0.00 0.00 178.83 175.27 2dnt h HIS 51 N 0.07 0.16 0.00 3.99 3.86 0.15 -3.37 115.15 120.01 2dnt h HIS 51 Ca 0.60 -0.12 -0.64 0.00 -1.16 0.00 0.00 60.37 59.05 2dnt h HIS 51 Cb 2.24 -0.01 0.01 0.00 1.06 0.00 0.00 27.41 30.70 2dnt h HIS 51 CO -0.00 1.13 3.25 1.28 0.86 0.00 0.00 177.93 184.45 2dnt n LEU 52 N -3.32 7.03 -4.79 2.43 4.77 0.45 -4.91 117.00 118.66 2dnt n LEU 52 Ca -0.09 -3.92 -0.38 0.00 -0.03 0.00 0.00 56.01 51.60 2dnt n LEU 52 Cb 1.00 -1.48 -0.06 0.00 -2.33 0.00 0.00 43.42 40.55 2dnt n LEU 52 CO 0.48 1.25 0.49 -0.69 -1.33 0.00 0.00 177.39 177.59 2dnt s VAL 53 N 3.04 4.41 -0.35 4.08 1.01 -1.25 -3.28 120.40 128.06 2dnt s VAL 53 Ca 0.56 1.58 0.00 0.00 0.00 0.00 0.00 61.98 64.12 2dnt s VAL 53 Cb 0.15 -4.02 0.00 0.00 0.00 0.00 0.00 36.38 32.51 2dnt s VAL 53 CO -0.05 0.34 0.00 0.59 0.00 0.00 0.00 175.10 175.98 2dnt n ASN 54 N 1.09 -5.15 -0.13 3.32 3.02 -1.26 -4.74 115.26 111.40 2dnt n ASN 54 Ca -0.03 0.08 0.07 0.00 -0.03 0.00 0.00 54.58 54.67 2dnt n ASN 54 Cb 0.50 -2.94 0.09 0.00 -0.61 0.00 0.00 39.78 36.82 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 0.78 -0.36 0.00 5.08 -1.86 -3.00 114.58 115.22 2dnt h GLU 56 Ca 0.00 -0.05 0.03 0.00 -1.00 0.00 0.00 59.36 58.35 2dnt h GLU 56 Cb 1.01 -0.18 -0.05 0.00 0.50 0.00 0.00 28.75 30.03 2dnt h GLU 56 CO 0.00 0.51 -0.28 1.49 -1.00 0.00 0.00 179.01 179.73 2dnt h GLU 57 N 0.80 -0.09 -0.15 2.33 4.81 -1.94 1.38 114.58 121.72 2dnt h GLU 57 Ca 0.22 0.01 0.04 0.00 -0.13 0.00 0.00 59.36 59.50 2dnt h GLU 57 Cb -0.07 0.02 -0.07 0.00 0.63 0.00 0.00 28.75 29.26 2dnt h GLU 57 CO -0.05 -0.06 -0.44 1.88 -0.73 0.00 0.00 179.01 179.61 2dnt h TYR 58 N -0.09 -1.27 -0.33 0.92 0.05 -1.92 0.25 116.97 114.58 2dnt h TYR 58 Ca 0.06 0.05 0.07 0.00 0.05 0.00 0.00 58.73 58.96 2dnt h TYR 58 Cb 0.24 0.58 -0.08 0.00 1.01 0.00 0.00 36.73 38.48 2dnt h TYR 58 CO -0.84 -0.49 -0.28 0.82 -1.05 0.00 0.00 178.16 176.33 2dnt h ILE 59 N -0.50 0.31 -0.44 -2.88 2.04 -1.25 0.97 117.51 115.76 2dnt h ILE 59 Ca 0.07 0.00 0.09 0.00 1.00 0.00 0.00 64.86 66.02 2dnt h ILE 59 Cb 0.63 0.31 -0.09 0.00 -0.74 0.00 0.00 36.82 36.93 2dnt h ILE 59 CO -0.42 0.00 -0.16 0.45 0.00 0.00 0.00 178.15 178.02 2dnt h HIS 60 N -0.25 -0.38 0.98 1.37 3.86 0.27 1.32 115.15 122.33 2dnt h HIS 60 Ca 0.16 0.04 -0.05 0.00 -1.16 0.00 0.00 60.37 59.37 2dnt h HIS 60 Cb 0.50 0.24 0.01 0.00 1.06 0.00 0.00 27.41 29.22 2dnt h HIS 60 CO -0.47 -0.24 -0.47 0.22 0.86 0.00 0.00 177.93 177.83 2dnt h ASP 61 N -0.06 -1.12 -0.64 2.45 3.58 0.12 -0.74 116.42 120.01 2dnt h ASP 61 Ca 0.21 0.04 0.13 0.00 0.42 0.00 0.00 57.03 57.84 2dnt h ASP 61 Cb 0.39 0.29 -0.11 0.00 1.72 0.00 0.00 39.33 41.63 2dnt h ASP 61 CO -0.49 -0.80 0.03 0.15 -2.88 0.00 0.00 179.24 175.25 2dnt h PHE 62 N -1.32 0.01 -0.52 0.28 3.04 0.15 0.14 116.94 118.72 2dnt h PHE 62 Ca -0.14 0.05 0.08 0.00 3.98 0.00 0.00 57.97 61.94 2dnt h PHE 62 Cb 1.01 0.09 -0.07 0.00 2.56 0.00 0.00 35.95 39.55 2dnt h PHE 62 CO -0.00 -0.15 0.15 -0.91 -2.02 0.00 0.00 178.31 175.38 2dnt h ASN 63 N 0.14 0.11 0.33 0.41 2.35 0.19 0.35 115.58 119.46 2dnt h ASN 63 Ca 0.34 0.08 -0.01 0.00 -0.55 0.00 0.00 56.30 56.16 2dnt h ASN 63 Cb 0.55 0.08 -0.01 0.00 0.05 0.00 0.00 38.32 38.99 2dnt h ASN 63 CO -0.53 0.08 -0.25 0.03 -1.65 0.00 0.00 177.43 175.12 2dnt h ARG 64 N 0.31 -0.56 -0.43 0.81 2.47 0.73 0.35 114.38 118.06 2dnt h ARG 64 Ca 0.26 0.04 0.07 0.00 -1.26 0.00 0.00 59.98 59.09 2dnt h ARG 64 Cb 0.32 0.13 -0.06 0.00 -1.65 0.00 0.00 29.97 28.70 2dnt h ARG 64 CO -0.29 -0.37 0.06 0.00 0.56 0.00 0.00 179.97 179.92 2dnt h ARG 65 N -0.58 0.18 0.57 0.04 2.47 -0.33 -2.84 114.38 113.88 2dnt h ARG 65 Ca -0.03 -0.01 -0.03 0.00 -1.26 0.00 0.00 59.98 58.66 2dnt h ARG 65 Cb 0.50 -0.04 -0.00 0.00 -1.65 0.00 0.00 29.97 28.78 2dnt h ARG 65 CO -0.00 0.12 -0.34 0.45 0.56 0.00 0.00 179.97 180.75 2dnt h HIS 66 N 0.18 -0.90 -3.09 3.04 3.86 0.01 -3.44 115.15 114.82 2dnt h HIS 66 Ca 0.21 -0.01 -0.38 0.00 -1.16 0.00 0.00 60.37 59.03 2dnt h HIS 66 Cb 0.28 0.32 0.21 0.00 1.06 0.00 0.00 27.41 29.28 2dnt h HIS 66 CO -0.23 -0.51 -0.09 0.95 0.86 0.00 0.00 177.93 178.91 2dnt s THR 67 N -5.00 1.22 0.27 2.45 -4.23 0.12 -5.03 115.64 105.45 2dnt s THR 67 Ca -0.13 0.00 0.02 0.00 -1.18 0.00 0.00 61.69 60.40 2dnt s THR 67 Cb 0.02 -2.12 -0.03 0.00 1.34 0.00 0.00 72.50 71.70 2dnt s THR 67 CO 0.41 0.00 0.44 -1.61 -0.54 0.00 0.00 174.62 173.32 2dnt s GLU 68 N -5.13 3.48 0.27 3.99 2.02 -1.26 -4.86 118.70 117.20 2dnt s GLU 68 Ca 0.69 -0.49 -0.20 0.00 0.02 0.00 0.00 54.97 54.99 2dnt s GLU 68 Cb -0.12 -2.79 0.06 0.00 0.10 0.00 0.00 34.13 31.38 2dnt s GLU 68 CO 0.57 0.32 0.92 0.21 0.02 0.00 0.00 175.26 177.30 2dnt s LYS 69 N -3.93 1.70 -0.73 1.61 2.47 -1.26 -5.04 119.74 114.55 2dnt s LYS 69 Ca 0.37 -1.07 -0.00 0.00 -1.56 0.00 0.00 55.97 53.71 2dnt s LYS 69 Cb -0.10 0.49 0.37 0.00 -1.46 0.00 0.00 37.83 37.13 2dnt s LYS 69 CO 0.32 -0.79 1.80 0.00 0.16 0.00 0.00 175.35 176.83 2dnt n GLN 70 N -0.60 2.92 -3.26 4.03 10.64 -1.26 -4.72 117.38 125.14 2dnt n GLN 70 Ca -0.05 -3.76 -0.25 0.00 -1.83 0.00 0.00 57.00 51.11 2dnt n GLN 70 Cb 0.60 -2.27 -0.07 0.00 -0.86 0.00 0.00 30.24 27.64 2dnt n GLN 70 CO 0.00 0.00 0.00 1.17 -1.83 0.00 0.00 177.06 176.40 2dnt n LYS 71 N -0.54 1.32 -3.61 2.61 3.00 -1.26 -5.07 118.16 114.60 2dnt n LYS 71 Ca 0.51 -3.70 -0.04 0.00 -0.00 0.00 0.00 58.31 55.08 2dnt n LYS 71 Cb 0.36 -1.56 -0.03 0.00 0.00 0.00 0.00 35.03 33.80 2dnt n LYS 71 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 177.40 175.57 2dnt s GLU 72 N -1.65 0.23 -0.19 1.64 -1.05 -1.26 -5.15 118.70 111.27 2dnt s GLU 72 Ca 0.37 -0.02 0.01 0.00 -0.15 0.00 0.00 54.97 55.17 2dnt s GLU 72 Cb 0.17 0.10 0.04 0.00 -0.44 0.00 0.00 34.13 34.00 2dnt s GLU 72 CO -0.08 -0.09 -0.10 0.45 0.95 0.00 0.00 175.26 176.39 2dnt s SER 73 N -1.62 3.25 0.00 0.83 0.15 -1.26 -5.06 113.70 109.99 2dnt s SER 73 Ca 0.08 -0.81 0.00 0.00 0.70 0.00 0.00 55.95 55.92 2dnt s SER 73 Cb -0.01 -1.20 0.00 0.00 -1.71 0.00 0.00 66.02 63.10 2dnt s SER 73 CO -0.05 -0.14 0.00 0.61 1.20 0.00 0.00 173.24 174.87 2dnt n GLY 74 N 4.71 2.97 2.84 9.45 0.00 -1.26 -4.93 105.19 118.97 2dnt n GLY 74 Ca -0.15 -1.85 -0.40 0.00 0.00 0.00 0.00 46.02 43.62 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 -1.73 2.25 -1.05 1.61 -0.04 -1.26 -4.82 135.00 129.97 2dnt n PRO 75 Ca 0.00 -2.11 0.13 0.00 -0.04 0.00 0.00 63.50 61.47 2dnt n PRO 75 Cb 0.00 -3.00 -0.07 0.00 -0.04 0.00 0.00 33.50 30.40 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 6.28 -5.75 -3.70 3.54 7.64 -1.26 -4.98 113.62 115.39 2dnt n SER 76 Ca 0.52 1.03 -0.14 0.00 1.01 0.00 0.00 58.87 61.29 2dnt n SER 76 Cb 0.35 -3.59 -0.14 0.00 -1.01 0.00 0.00 64.21 59.82 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 -6.40 0.24 0.00 6.43 0.15 -1.26 -5.09 113.70 107.76 2dnt s SER 77 Ca 0.00 0.41 0.00 0.00 0.70 0.00 0.00 55.95 57.06 2dnt s SER 77 Cb 0.00 0.36 0.00 0.00 -1.71 0.00 0.00 66.02 64.67 2dnt s SER 77 CO 0.00 -0.20 0.00 0.61 1.20 0.00 0.00 173.24 174.85