#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 6.28 0.16 1.61 1.04 -1.26 -5.00 113.70 116.53 2dnt s SER 2 Ca 0.00 0.38 0.00 0.00 0.48 0.00 0.00 55.95 56.81 2dnt s SER 2 Cb 0.00 -2.55 -0.04 0.00 0.10 0.00 0.00 66.02 63.53 2dnt s SER 2 CO 0.00 -1.57 0.33 -0.44 0.98 0.00 0.00 173.24 172.54 2dnt s SER 3 N 3.86 6.38 -0.44 7.02 0.01 -1.26 -5.05 113.70 124.21 2dnt s SER 3 Ca 0.52 0.32 0.03 0.00 1.31 0.00 0.00 55.95 58.14 2dnt s SER 3 Cb -0.10 -1.98 0.25 0.00 0.21 0.00 0.00 66.02 64.40 2dnt s SER 3 CO 0.27 0.03 0.99 0.61 0.41 0.00 0.00 173.24 175.55 2dnt n GLY 4 N -0.40 -0.53 3.23 3.44 0.00 -1.26 -5.15 105.19 104.51 2dnt n GLY 4 Ca -0.05 0.42 -0.11 0.00 0.00 0.00 0.00 46.02 46.28 2dnt n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2dnt s SER 5 N -1.15 -0.08 0.86 1.61 0.01 -1.26 -5.16 113.70 108.53 2dnt s SER 5 Ca 0.30 -0.23 -0.11 0.00 1.31 0.00 0.00 55.95 57.22 2dnt s SER 5 Cb 0.21 0.34 0.10 0.00 0.21 0.00 0.00 66.02 66.88 2dnt s SER 5 CO -0.19 -0.59 1.09 -0.94 0.41 0.00 0.00 173.24 173.02 2dnt s SER 6 N -2.03 3.87 0.37 2.44 1.04 -1.26 -5.06 113.70 113.07 2dnt s SER 6 Ca -0.05 1.48 0.08 0.00 0.48 0.00 0.00 55.95 57.93 2dnt s SER 6 Cb -0.01 -2.18 -0.02 0.00 0.10 0.00 0.00 66.02 63.91 2dnt s SER 6 CO -0.03 -2.39 0.35 -0.83 0.98 0.00 0.00 173.24 171.32 2dnt s GLY 7 N -3.55 1.92 -0.16 7.32 0.00 -1.26 -5.14 107.32 106.46 2dnt s GLY 7 Ca 0.62 -1.74 -0.23 0.00 0.00 0.00 0.00 44.72 43.37 2dnt s GLY 7 CO 0.56 -1.61 0.60 -0.29 0.00 0.00 0.00 173.10 172.36 2dnt s MET 8 N -4.08 0.81 -0.20 2.90 1.75 -1.26 -5.06 119.30 114.16 2dnt s MET 8 Ca 0.45 0.59 -0.08 0.00 -1.25 0.00 0.00 55.69 55.39 2dnt s MET 8 Cb -0.05 0.39 0.03 0.00 2.84 0.00 0.00 34.83 38.04 2dnt s MET 8 CO 0.28 -0.16 0.16 0.00 -0.65 0.00 0.00 175.02 174.65 2dnt n ALA 9 N 2.09 -3.61 0.00 4.11 0.00 -1.26 -5.03 120.51 116.82 2dnt n ALA 9 Ca -0.16 1.72 0.00 0.00 0.00 0.00 0.00 53.44 55.00 2dnt n ALA 9 Cb 0.56 -3.37 0.00 0.00 0.00 0.00 0.00 19.45 16.64 2dnt n ALA 9 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 2dnt n SER 10 N 1.28 0.48 -2.94 0.00 2.88 -1.26 -5.11 113.62 108.95 2dnt n SER 10 Ca -0.28 0.00 -0.04 0.00 -1.33 0.00 0.00 58.87 57.23 2dnt n SER 10 Cb 0.43 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.89 2dnt n SER 10 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 2dnt n GLU 11 N -2.30 -2.25 -2.48 -1.46 -0.58 -1.26 -4.99 120.64 105.32 2dnt n GLU 11 Ca 0.00 1.99 -0.23 0.00 -0.42 0.00 0.00 57.16 58.50 2dnt n GLU 11 Cb 0.15 -3.79 0.05 0.00 -0.57 0.00 0.00 31.44 27.28 2dnt n GLU 11 CO 0.00 0.00 0.00 -1.21 -0.48 0.00 0.00 177.13 175.44 2dnt s GLU 12 N -1.60 2.39 -0.02 3.49 2.02 -1.26 -5.02 118.70 118.70 2dnt s GLU 12 Ca 0.05 -0.61 -0.25 0.00 0.02 0.00 0.00 54.97 54.19 2dnt s GLU 12 Cb -0.01 -2.37 -0.19 0.00 0.10 0.00 0.00 34.13 31.66 2dnt s GLU 12 CO 0.54 -0.93 1.24 1.37 0.02 0.00 0.00 175.26 177.50 2dnt h LEU 13 N -0.19 -0.07 0.00 1.80 -0.00 -2.04 -3.48 115.31 111.32 2dnt h LEU 13 Ca -0.43 -0.41 0.00 0.00 -0.00 0.00 0.00 57.88 57.04 2dnt h LEU 13 Cb 1.30 0.02 0.00 0.00 -0.00 0.00 0.00 40.66 41.98 2dnt h LEU 13 CO 0.55 0.39 0.00 -1.22 -0.00 0.00 0.00 178.44 178.15 2dnt n TYR 14 N -4.91 -0.22 -4.91 0.17 4.02 -1.26 -5.15 117.16 104.89 2dnt n TYR 14 Ca -0.08 0.00 -0.30 0.00 -0.01 0.00 0.00 57.90 57.50 2dnt n TYR 14 Cb 0.25 0.00 -0.17 0.00 -0.02 0.00 0.00 39.34 39.40 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 -1.01 2.66 -0.17 -0.72 2.12 -1.26 -5.08 118.70 115.25 2dnt s GLU 15 Ca 0.00 -0.74 -0.38 0.00 0.36 0.00 0.00 54.97 54.21 2dnt s GLU 15 Cb 0.00 -2.09 -0.14 0.00 0.26 0.00 0.00 34.13 32.16 2dnt s GLU 15 CO 0.00 0.09 1.77 0.28 -0.54 0.00 0.00 175.26 176.86 2dnt n VAL 16 N 3.75 0.38 -0.05 3.70 0.31 -1.26 -4.86 118.33 120.31 2dnt n VAL 16 Ca -0.20 -0.07 -0.14 0.00 -0.01 0.00 0.00 64.34 63.92 2dnt n VAL 16 Cb 0.52 -1.45 -0.12 0.00 -0.91 0.00 0.00 33.84 31.88 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 7.76 0.04 0.00 5.55 4.81 -1.95 -3.50 114.58 127.30 2dnt h GLU 17 Ca -0.47 -0.05 0.00 0.00 -0.13 0.00 0.00 59.36 58.71 2dnt h GLU 17 Cb 1.30 0.02 0.00 0.00 0.63 0.00 0.00 28.75 30.70 2dnt h GLU 17 CO 0.94 0.88 0.00 2.89 -0.73 0.00 0.00 179.01 182.99 2dnt n ARG 18 N -4.63 0.00 -3.32 1.92 1.85 -1.26 -4.99 116.66 106.23 2dnt n ARG 18 Ca -0.10 0.00 -0.38 0.00 -1.00 0.00 0.00 57.85 56.37 2dnt n ARG 18 Cb 0.44 0.00 -0.06 0.00 -1.05 0.00 0.00 32.46 31.79 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 5.17 -0.16 8.89 -1.09 -1.26 -2.68 121.20 128.08 2dnt s ILE 19 Ca 0.00 0.90 0.17 0.00 -2.23 0.00 0.00 60.65 59.49 2dnt s ILE 19 Cb 0.00 -3.80 -0.25 0.00 -1.58 0.00 0.00 42.46 36.83 2dnt s ILE 19 CO 0.00 0.28 0.43 0.52 -1.23 0.00 0.00 174.94 174.94 2dnt n VAL 20 N 4.00 0.00 -3.86 2.92 0.31 0.62 -4.96 118.33 117.36 2dnt n VAL 20 Ca -0.07 -0.34 -0.02 0.00 -0.01 0.00 0.00 64.34 63.91 2dnt n VAL 20 Cb 0.51 0.27 0.01 0.00 -0.91 0.00 0.00 33.84 33.73 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 -3.69 -0.02 -0.28 4.52 2.15 -1.17 -4.94 116.67 113.24 2dnt s ASP 21 Ca -0.04 -0.53 -0.23 0.00 0.43 0.00 0.00 52.55 52.18 2dnt s ASP 21 Cb 0.11 0.42 0.10 0.00 -0.30 0.00 0.00 42.92 43.25 2dnt s ASP 21 CO 0.70 -0.82 0.85 -0.75 -0.17 0.00 0.00 175.17 174.98 2dnt s LYS 22 N -2.31 0.66 0.38 4.34 2.20 -1.26 0.14 119.74 123.89 2dnt s LYS 22 Ca 0.21 0.85 -0.13 0.00 -0.36 0.00 0.00 55.97 56.55 2dnt s LYS 22 Cb -0.02 0.28 0.05 0.00 -1.51 0.00 0.00 37.83 36.64 2dnt s LYS 22 CO 0.03 -0.09 0.73 0.54 -0.36 0.00 0.00 175.35 176.21 2dnt n ARG 23 N 2.84 1.05 -4.44 4.03 1.74 0.23 -4.97 116.66 117.14 2dnt n ARG 23 Ca -0.15 -2.21 -0.24 0.00 -0.77 0.00 0.00 57.85 54.48 2dnt n ARG 23 Cb 0.56 2.67 -0.10 0.00 -1.02 0.00 0.00 32.46 34.57 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 -2.16 1.73 0.67 5.56 2.20 -1.26 0.17 119.74 126.66 2dnt s LYS 24 Ca 0.17 -1.67 0.04 0.00 -0.36 0.00 0.00 55.97 54.15 2dnt s LYS 24 Cb -0.04 -1.84 0.12 0.00 -1.51 0.00 0.00 37.83 34.56 2dnt s LYS 24 CO 0.12 0.35 0.93 -0.80 -0.36 0.00 0.00 175.35 175.59 2dnt s ASN 25 N -3.36 4.59 0.33 1.43 0.01 -0.00 -4.91 114.94 113.03 2dnt s ASN 25 Ca 0.28 -0.64 0.02 0.00 -0.71 0.00 0.00 52.86 51.81 2dnt s ASN 25 Cb -0.06 0.25 0.58 0.00 0.41 0.00 0.00 41.25 42.43 2dnt s ASN 25 CO 0.15 -1.71 1.94 0.50 -1.51 0.00 0.00 177.10 176.47 2dnt h LYS 26 N -0.27 0.77 -0.22 -0.60 3.11 -2.01 -1.11 116.57 116.24 2dnt h LYS 26 Ca -0.32 -0.09 -0.11 0.00 -2.81 0.00 0.00 60.65 57.31 2dnt h LYS 26 Cb 1.27 -0.15 -0.01 0.00 -1.00 0.00 0.00 32.23 32.34 2dnt h LYS 26 CO 0.39 0.60 -0.33 0.87 -2.81 0.00 0.00 179.45 178.17 2dnt h LYS 27 N 0.77 0.46 0.00 1.90 6.56 -2.06 -3.46 116.57 120.74 2dnt h LYS 27 Ca 0.19 -0.20 0.00 0.00 -1.06 0.00 0.00 60.65 59.58 2dnt h LYS 27 Cb 0.08 -0.01 0.00 0.00 -0.57 0.00 0.00 32.23 31.73 2dnt h LYS 27 CO -0.03 0.73 0.00 0.41 -2.06 0.00 0.00 179.45 178.51 2dnt n GLY 28 N -0.23 1.53 3.73 3.86 0.00 -0.42 -5.10 105.19 108.56 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 -0.14 4.65 -0.00 1.61 -0.14 -1.26 -4.69 119.74 119.77 2dnt s LYS 29 Ca 0.00 1.55 -0.30 0.00 -1.36 0.00 0.00 55.97 55.86 2dnt s LYS 29 Cb 0.00 -3.34 -0.03 0.00 -1.68 0.00 0.00 37.83 32.77 2dnt s LYS 29 CO 0.00 0.15 1.02 0.99 -0.76 0.00 0.00 175.35 176.75 2dnt s THR 30 N -0.02 4.71 -0.01 2.17 2.01 -1.26 -0.82 115.64 122.42 2dnt s THR 30 Ca 0.48 1.95 0.05 0.00 0.31 0.00 0.00 61.69 64.49 2dnt s THR 30 Cb -0.25 -4.25 -0.01 0.00 0.01 0.00 0.00 72.50 67.99 2dnt s THR 30 CO 0.31 0.13 -0.18 -1.61 -0.69 0.00 0.00 174.62 172.59 2dnt s GLU 31 N 1.17 1.45 -0.10 4.92 8.01 0.45 -1.98 118.70 132.61 2dnt s GLU 31 Ca 0.53 -0.64 0.02 0.00 0.01 0.00 0.00 54.97 54.89 2dnt s GLU 31 Cb -0.22 -1.40 0.01 0.00 -4.31 0.00 0.00 34.13 28.21 2dnt s GLU 31 CO 0.27 0.38 -0.18 0.71 0.01 0.00 0.00 175.26 176.46 2dnt s TYR 32 N -0.42 2.09 -0.41 1.61 2.02 0.17 0.75 117.35 123.16 2dnt s TYR 32 Ca 0.07 -0.93 -0.28 0.00 -0.37 0.00 0.00 57.07 55.56 2dnt s TYR 32 Cb -0.07 -1.47 0.00 0.00 -0.40 0.00 0.00 41.96 40.03 2dnt s TYR 32 CO -0.01 -0.44 1.53 -1.17 -1.57 0.00 0.00 175.55 173.89 2dnt s LEU 33 N 0.74 3.53 0.04 -1.29 2.96 0.37 -3.17 118.68 121.87 2dnt s LEU 33 Ca -0.11 0.87 0.09 0.00 -0.22 0.00 0.00 54.13 54.76 2dnt s LEU 33 Cb -0.16 -3.45 -0.03 0.00 0.50 0.00 0.00 46.19 43.06 2dnt s LEU 33 CO 0.02 -1.57 -0.25 0.54 -1.32 0.00 0.00 176.35 173.77 2dnt s VAL 34 N 6.01 2.00 0.83 1.68 0.11 -1.24 0.23 120.40 130.02 2dnt s VAL 34 Ca 0.65 -1.33 -0.09 0.00 -2.93 0.00 0.00 61.98 58.29 2dnt s VAL 34 Cb -0.15 -1.71 0.15 0.00 -1.53 0.00 0.00 36.38 33.13 2dnt s VAL 34 CO 0.32 0.33 1.16 -0.60 -3.33 0.00 0.00 175.10 172.97 2dnt s ARG 35 N -1.20 1.26 0.05 1.54 3.52 -1.09 -4.36 118.95 118.67 2dnt s ARG 35 Ca 0.10 -0.65 -0.27 0.00 -0.13 0.00 0.00 55.73 54.79 2dnt s ARG 35 Cb -0.10 -2.07 0.08 0.00 -1.56 0.00 0.00 34.95 31.30 2dnt s ARG 35 CO 0.02 -1.88 0.71 -1.58 -0.81 0.00 0.00 175.30 171.75 2dnt s TRP 36 N -3.52 -0.52 0.03 5.12 0.52 -1.26 -3.87 118.94 115.44 2dnt s TRP 36 Ca 0.69 0.52 -0.12 0.00 0.02 0.00 0.00 56.10 57.22 2dnt s TRP 36 Cb -0.05 0.51 -0.06 0.00 -1.15 0.00 0.00 33.47 32.72 2dnt s TRP 36 CO 0.49 -0.69 0.39 0.21 0.02 0.00 0.00 176.95 177.36 2dnt s LYS 37 N -2.80 3.81 0.00 4.98 2.20 -1.26 -4.37 119.74 122.29 2dnt s LYS 37 Ca -0.01 0.26 0.00 0.00 -0.36 0.00 0.00 55.97 55.86 2dnt s LYS 37 Cb -0.01 -3.11 0.00 0.00 -1.51 0.00 0.00 37.83 33.20 2dnt s LYS 37 CO -0.06 0.63 0.00 0.41 -0.36 0.00 0.00 175.35 175.98 2dnt n GLY 38 N 1.38 2.96 3.94 5.54 0.00 -1.26 -5.04 105.19 112.72 2dnt n GLY 38 Ca -0.11 -0.80 -0.26 0.00 0.00 0.00 0.00 46.02 44.85 2dnt n GLY 38 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 2dnt s TYR 39 N 0.00 2.49 -0.14 1.61 1.13 -1.26 -5.08 117.35 116.10 2dnt s TYR 39 Ca 0.00 0.26 -0.05 0.00 -1.41 0.00 0.00 57.07 55.87 2dnt s TYR 39 Cb 0.00 -3.25 -0.04 0.00 -1.10 0.00 0.00 41.96 37.57 2dnt s TYR 39 CO 0.00 -1.59 0.03 -0.51 -2.51 0.00 0.00 175.55 170.97 2dnt s ASP 40 N -4.60 5.40 0.49 -0.18 1.11 -1.26 -4.92 116.67 112.71 2dnt s ASP 40 Ca 0.63 0.09 0.43 0.00 0.18 0.00 0.00 52.55 53.88 2dnt s ASP 40 Cb -0.09 -1.77 1.57 0.00 1.07 0.00 0.00 42.92 43.70 2dnt s ASP 40 CO 0.45 0.26 1.46 -0.24 1.18 0.00 0.00 175.17 178.29 2dnt n SER 41 N 2.94 0.05 -0.24 0.27 2.88 -1.26 0.25 113.62 118.52 2dnt n SER 41 Ca -0.18 1.03 0.31 0.00 -1.33 0.00 0.00 58.87 58.70 2dnt n SER 41 Cb 0.53 -0.51 0.73 0.00 -0.75 0.00 0.00 64.21 64.21 2dnt n SER 41 CO 0.00 0.00 0.00 -0.33 -1.23 0.00 0.00 175.04 173.48 2dnt h GLU 42 N 0.00 0.01 -1.10 -1.46 5.08 -2.03 0.65 114.58 115.73 2dnt h GLU 42 Ca 0.87 -0.00 -0.64 0.00 -1.00 0.00 0.00 59.36 58.59 2dnt h GLU 42 Cb 3.32 -0.00 -0.35 0.00 0.50 0.00 0.00 28.75 32.22 2dnt h GLU 42 CO -0.12 0.01 0.16 -0.25 -1.00 0.00 0.00 179.01 177.81 2dnt n ASP 43 N -4.24 6.44 -4.09 1.42 8.00 0.71 -5.04 116.55 119.75 2dnt n ASP 43 Ca 0.21 -3.78 -0.33 0.00 0.71 0.00 0.00 54.79 51.61 2dnt n ASP 43 Cb 1.07 -0.72 0.11 0.00 -0.02 0.00 0.00 41.12 41.56 2dnt n ASP 43 CO 0.00 0.00 0.00 -0.90 -0.39 0.00 0.00 177.20 175.91 2dnt n ASP 44 N -0.75 -2.66 -3.78 -2.24 5.68 0.23 -4.89 116.55 108.13 2dnt n ASP 44 Ca 0.53 -0.10 -0.14 0.00 -0.50 0.00 0.00 54.79 54.58 2dnt n ASP 44 Cb 0.71 -0.74 -0.15 0.00 -1.14 0.00 0.00 41.12 39.80 2dnt n ASP 44 CO 0.00 0.00 0.00 0.42 -1.33 0.00 0.00 177.20 176.29 2dnt s THR 45 N -2.12 -0.04 -0.91 2.12 -4.23 -1.26 -5.09 115.64 104.12 2dnt s THR 45 Ca 0.44 0.15 -0.14 0.00 -1.18 0.00 0.00 61.69 60.96 2dnt s THR 45 Cb -0.02 -0.14 0.21 0.00 1.34 0.00 0.00 72.50 73.89 2dnt s THR 45 CO 0.61 0.06 0.92 0.26 -0.54 0.00 0.00 174.62 175.93 2dnt s TRP 46 N 0.85 3.68 0.05 3.99 0.52 -1.26 -3.65 118.94 123.12 2dnt s TRP 46 Ca -0.07 -1.96 -0.24 0.00 0.02 0.00 0.00 56.10 53.85 2dnt s TRP 46 Cb -0.09 -3.95 -0.06 0.00 -1.15 0.00 0.00 33.47 28.22 2dnt s TRP 46 CO -0.03 -1.11 0.73 -1.21 0.02 0.00 0.00 176.95 175.34 2dnt s GLU 47 N 0.58 4.46 0.24 4.98 0.41 -1.19 -4.77 118.70 123.42 2dnt s GLU 47 Ca 0.24 1.00 -0.30 0.00 -0.41 0.00 0.00 54.97 55.51 2dnt s GLU 47 Cb -0.09 -3.35 -0.09 0.00 -1.78 0.00 0.00 34.13 28.83 2dnt s GLU 47 CO -0.09 0.34 1.09 -1.25 -0.49 0.00 0.00 175.26 174.86 2dnt s PRO 48 N -0.21 4.64 0.30 0.39 0.04 -1.26 -0.65 135.00 138.24 2dnt s PRO 48 Ca 0.37 1.76 0.01 0.00 0.04 0.00 0.00 61.00 63.17 2dnt s PRO 48 Cb -0.20 -3.22 0.71 0.00 0.04 0.00 0.00 34.50 31.83 2dnt s PRO 48 CO 0.22 0.18 1.54 -1.91 0.04 0.00 0.00 177.00 177.07 2dnt n GLU 49 N 1.63 -0.08 -0.25 4.56 2.13 -0.84 0.18 120.64 127.96 2dnt n GLU 49 Ca 0.00 1.48 0.06 0.00 0.66 0.00 0.00 57.16 59.36 2dnt n GLU 49 Cb 0.45 -2.33 0.19 0.00 0.27 0.00 0.00 31.44 30.02 2dnt n GLU 49 CO 0.00 0.00 0.00 0.37 -0.41 0.00 0.00 177.13 177.09 2dnt h GLN 50 N 0.00 0.27 0.00 5.31 4.15 -1.91 0.97 115.11 123.91 2dnt h GLN 50 Ca 0.58 -0.02 -0.04 0.00 0.77 0.00 0.00 58.65 59.94 2dnt h GLN 50 Cb 1.16 -0.06 -0.01 0.00 0.21 0.00 0.00 27.48 28.78 2dnt h GLN 50 CO -0.93 0.18 -0.19 0.45 -1.93 0.00 0.00 178.83 176.41 2dnt h HIS 51 N 0.28 0.00 -1.75 3.99 3.86 0.15 -3.32 115.15 118.36 2dnt h HIS 51 Ca 0.43 0.00 -0.77 0.00 -1.16 0.00 0.00 60.37 58.87 2dnt h HIS 51 Cb 0.73 0.00 -0.18 0.00 1.06 0.00 0.00 27.41 29.02 2dnt h HIS 51 CO -0.25 0.19 1.73 1.28 0.86 0.00 0.00 177.93 181.73 2dnt n LEU 52 N -3.29 6.57 -4.77 2.43 4.77 0.34 -4.98 117.00 118.07 2dnt n LEU 52 Ca 0.01 -4.77 -0.38 0.00 -0.03 0.00 0.00 56.01 50.84 2dnt n LEU 52 Cb 0.45 -1.43 -0.06 0.00 -2.33 0.00 0.00 43.42 40.04 2dnt n LEU 52 CO 0.33 1.44 0.64 -0.69 -1.33 0.00 0.00 177.39 177.78 2dnt s VAL 53 N -0.32 4.18 -0.93 4.08 1.01 -1.24 -3.03 120.40 124.14 2dnt s VAL 53 Ca 0.38 1.90 0.00 0.00 0.00 0.00 0.00 61.98 64.25 2dnt s VAL 53 Cb 0.08 -4.10 0.00 0.00 0.00 0.00 0.00 36.38 32.36 2dnt s VAL 53 CO 0.03 0.25 0.00 0.59 0.00 0.00 0.00 175.10 175.97 2dnt n ASN 54 N 0.85 -5.38 0.02 3.32 5.03 -1.26 -4.77 115.26 113.06 2dnt n ASN 54 Ca 0.01 0.22 0.11 0.00 0.87 0.00 0.00 54.58 55.78 2dnt n ASN 54 Cb 0.49 -3.66 -0.01 0.00 -1.02 0.00 0.00 39.78 35.58 2dnt n ASN 54 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 2dnt n GLU 56 N -1.92 -0.07 -0.20 0.00 1.02 -1.26 1.00 120.64 119.20 2dnt n GLU 56 Ca 0.02 1.33 -0.06 0.00 -0.02 0.00 0.00 57.16 58.43 2dnt n GLU 56 Cb 0.43 -2.10 0.00 0.00 -0.02 0.00 0.00 31.44 29.75 2dnt n GLU 56 CO 0.00 0.00 0.00 1.49 1.18 0.00 0.00 177.13 179.80 2dnt h GLU 57 N 0.00 -0.17 0.63 3.49 4.81 -1.98 1.45 114.58 122.82 2dnt h GLU 57 Ca 0.52 0.01 -0.03 0.00 -0.13 0.00 0.00 59.36 59.73 2dnt h GLU 57 Cb 1.05 0.04 0.01 0.00 0.63 0.00 0.00 28.75 30.48 2dnt h GLU 57 CO -0.84 -0.11 -0.30 1.88 -0.73 0.00 0.00 179.01 178.90 2dnt h TYR 58 N -0.17 -0.79 -0.74 0.92 0.05 0.33 -2.14 116.97 114.44 2dnt h TYR 58 Ca 0.22 -0.02 0.16 0.00 0.05 0.00 0.00 58.73 59.15 2dnt h TYR 58 Cb 0.55 0.26 -0.12 0.00 1.01 0.00 0.00 36.73 38.44 2dnt h TYR 58 CO -0.64 -0.45 0.12 0.82 -1.05 0.00 0.00 178.16 176.96 2dnt h ILE 59 N -1.04 0.45 0.11 -2.88 2.04 -0.59 0.46 117.51 116.06 2dnt h ILE 59 Ca -0.09 -0.07 0.01 0.00 1.00 0.00 0.00 64.86 65.71 2dnt h ILE 59 Cb 0.70 0.23 -0.03 0.00 -0.74 0.00 0.00 36.82 36.98 2dnt h ILE 59 CO 0.14 0.04 -0.38 0.45 0.00 0.00 0.00 178.15 178.40 2dnt h HIS 60 N 0.20 -1.10 -0.63 1.37 3.86 0.21 1.25 115.15 120.32 2dnt h HIS 60 Ca 0.41 0.03 0.12 0.00 -1.16 0.00 0.00 60.37 59.77 2dnt h HIS 60 Cb 0.72 0.46 -0.09 0.00 1.06 0.00 0.00 27.41 29.57 2dnt h HIS 60 CO -0.31 -0.44 0.17 0.22 0.86 0.00 0.00 177.93 178.43 2dnt h ASP 61 N -0.56 0.07 -0.96 2.45 3.58 -0.54 0.13 116.42 120.59 2dnt h ASP 61 Ca -0.01 0.11 0.03 0.00 0.42 0.00 0.00 57.03 57.58 2dnt h ASP 61 Cb 0.55 0.13 -0.05 0.00 1.72 0.00 0.00 39.33 41.68 2dnt h ASP 61 CO -0.19 0.04 0.63 0.15 -2.88 0.00 0.00 179.24 176.99 2dnt h PHE 62 N 0.30 1.18 -0.90 0.28 3.57 0.78 -1.26 116.94 120.90 2dnt h PHE 62 Ca 0.33 0.03 -0.01 0.00 3.53 0.00 0.00 57.97 61.85 2dnt h PHE 62 Cb 0.48 -0.39 -0.04 0.00 2.79 0.00 0.00 35.95 38.79 2dnt h PHE 62 CO -0.23 0.69 0.52 -0.91 -2.23 0.00 0.00 178.31 176.15 2dnt h ASN 63 N 1.22 1.10 0.20 0.41 2.35 0.42 -2.17 115.58 119.11 2dnt h ASN 63 Ca 0.38 -0.08 0.01 0.00 -0.55 0.00 0.00 56.30 56.05 2dnt h ASN 63 Cb -0.01 -0.28 -0.02 0.00 0.05 0.00 0.00 38.32 38.06 2dnt h ASN 63 CO -0.11 0.87 -0.23 0.03 -1.65 0.00 0.00 177.43 176.33 2dnt h ARG 64 N 1.25 -0.46 -0.01 0.81 2.47 -0.00 -0.32 114.38 118.12 2dnt h ARG 64 Ca 0.32 0.03 0.03 0.00 -1.26 0.00 0.00 59.98 59.10 2dnt h ARG 64 Cb -0.01 0.10 -0.06 0.00 -1.65 0.00 0.00 29.97 28.35 2dnt h ARG 64 CO -0.06 -0.31 -0.48 0.00 0.56 0.00 0.00 179.97 179.69 2dnt h ARG 65 N -0.48 -0.60 -0.10 0.04 2.47 -1.13 -2.81 114.38 111.77 2dnt h ARG 65 Ca 0.01 0.04 0.02 0.00 -1.26 0.00 0.00 59.98 58.78 2dnt h ARG 65 Cb 0.46 0.14 -0.03 0.00 -1.65 0.00 0.00 29.97 28.88 2dnt h ARG 65 CO -0.07 -0.40 -0.24 0.45 0.56 0.00 0.00 179.97 180.27 2dnt h HIS 66 N -0.62 -0.72 -3.65 3.04 3.86 -1.22 -3.42 115.15 112.42 2dnt h HIS 66 Ca 0.03 0.03 -0.47 0.00 -1.16 0.00 0.00 60.37 58.80 2dnt h HIS 66 Cb 0.69 0.33 0.21 0.00 1.06 0.00 0.00 27.41 29.70 2dnt h HIS 66 CO -0.47 -0.23 0.09 0.99 0.86 0.00 0.00 177.93 179.16 2dnt s THR 67 N -4.17 2.02 -0.35 2.45 2.01 -0.15 -4.99 115.64 112.46 2dnt s THR 67 Ca -0.07 0.01 -0.02 0.00 0.31 0.00 0.00 61.69 61.92 2dnt s THR 67 Cb 0.03 -2.02 0.07 0.00 0.01 0.00 0.00 72.50 70.60 2dnt s THR 67 CO 0.27 -0.01 0.09 -1.61 -0.69 0.00 0.00 174.62 172.67 2dnt s GLU 68 N -4.51 2.26 0.03 4.92 2.02 -1.26 -4.84 118.70 117.31 2dnt s GLU 68 Ca 0.68 -1.48 -0.03 0.00 0.02 0.00 0.00 54.97 54.16 2dnt s GLU 68 Cb -0.24 -3.36 -0.01 0.00 0.10 0.00 0.00 34.13 30.61 2dnt s GLU 68 CO 0.62 -0.80 -0.06 1.17 0.02 0.00 0.00 175.26 176.21 2dnt n LYS 69 N 4.62 0.10 0.00 1.61 3.00 -1.26 -4.99 118.16 121.23 2dnt n LYS 69 Ca -0.08 0.04 0.00 0.00 -0.00 0.00 0.00 58.31 58.27 2dnt n LYS 69 Cb 0.43 -0.67 0.00 0.00 0.00 0.00 0.00 35.03 34.78 2dnt n LYS 69 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.40 178.34 2dnt n GLN 70 N -3.58 0.00 -1.64 1.64 7.27 -1.26 -4.88 117.38 114.93 2dnt n GLN 70 Ca -0.04 0.00 -0.63 0.00 0.07 0.00 0.00 57.00 56.40 2dnt n GLN 70 Cb 0.20 0.00 -0.09 0.00 2.41 0.00 0.00 30.24 32.76 2dnt n GLN 70 CO 0.00 0.00 0.00 1.17 0.07 0.00 0.00 177.06 178.30 2dnt n LYS 71 N 0.00 0.09 -3.73 3.69 3.00 -1.26 -4.92 118.16 115.03 2dnt n LYS 71 Ca 0.00 0.03 -0.10 0.00 -0.00 0.00 0.00 58.31 58.25 2dnt n LYS 71 Cb 0.00 -1.55 -0.05 0.00 0.00 0.00 0.00 35.03 33.43 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 1.72 1.07 -0.00 1.64 -1.05 -1.26 -5.17 118.70 115.64 2dnt s GLU 72 Ca 0.98 -0.83 0.01 0.00 -0.15 0.00 0.00 54.97 54.98 2dnt s GLU 72 Cb -1.37 0.44 -0.00 0.00 -0.44 0.00 0.00 34.13 32.75 2dnt s GLU 72 CO 0.70 -0.41 -0.05 -1.54 0.95 0.00 0.00 175.26 174.92 2dnt s SER 73 N -2.84 0.54 -0.24 0.83 1.04 -1.26 -5.14 113.70 106.63 2dnt s SER 73 Ca 0.06 -0.11 -0.09 0.00 0.48 0.00 0.00 55.95 56.28 2dnt s SER 73 Cb 0.02 -0.05 -0.04 0.00 0.10 0.00 0.00 66.02 66.05 2dnt s SER 73 CO -0.09 0.04 0.13 -0.83 0.98 0.00 0.00 173.24 173.46 2dnt s GLY 74 N -0.20 1.92 1.09 7.32 0.00 -1.26 -5.09 107.32 111.09 2dnt s GLY 74 Ca 0.01 -0.94 -0.18 0.00 0.00 0.00 0.00 44.72 43.61 2dnt s GLY 74 CO -0.00 0.39 1.22 2.56 0.00 0.00 0.00 173.10 177.27 2dnt s PRO 75 N 1.13 -0.33 0.03 2.90 0.04 -1.26 -5.08 135.00 132.43 2dnt s PRO 75 Ca 0.06 -0.27 0.07 0.00 0.04 0.00 0.00 61.00 60.90 2dnt s PRO 75 Cb -0.14 -1.72 -0.02 0.00 0.04 0.00 0.00 34.50 32.66 2dnt s PRO 75 CO 0.05 -3.09 -0.21 -1.12 0.04 0.00 0.00 177.00 172.67 2dnt s SER 76 N -4.43 2.47 -0.03 6.66 0.01 -1.26 -5.14 113.70 111.99 2dnt s SER 76 Ca 0.73 -0.49 -0.26 0.00 1.31 0.00 0.00 55.95 57.24 2dnt s SER 76 Cb -0.06 -0.22 0.06 0.00 0.21 0.00 0.00 66.02 66.00 2dnt s SER 76 CO 0.54 0.18 0.58 -0.55 0.41 0.00 0.00 173.24 174.41 2dnt s SER 77 N -1.02 -0.53 0.00 2.44 0.15 -1.26 -5.37 113.70 108.12 2dnt s SER 77 Ca 0.08 0.51 0.00 0.00 0.70 0.00 0.00 55.95 57.24 2dnt s SER 77 Cb -0.09 0.48 0.00 0.00 -1.71 0.00 0.00 66.02 64.71 2dnt s SER 77 CO 0.01 -0.58 0.00 0.61 1.20 0.00 0.00 173.24 174.48