#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 6.14 0.23 1.61 0.15 -1.26 -4.94 113.70 115.63 2dnt s SER 2 Ca 0.00 0.09 0.00 0.00 0.70 0.00 0.00 55.95 56.74 2dnt s SER 2 Cb 0.00 -1.79 0.00 0.00 -1.71 0.00 0.00 66.02 62.52 2dnt s SER 2 CO 0.00 0.05 0.00 -1.20 1.20 0.00 0.00 173.24 173.29 2dnt n SER 3 N -0.54 -2.07 -4.28 5.45 7.64 -1.26 -5.12 113.62 113.45 2dnt n SER 3 Ca -0.07 0.64 -0.60 0.00 1.01 0.00 0.00 58.87 59.85 2dnt n SER 3 Cb 0.54 2.14 -0.09 0.00 -1.01 0.00 0.00 64.21 65.80 2dnt n SER 3 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2dnt n GLY 4 N -1.27 0.08 3.63 0.23 0.00 -1.26 -4.89 105.19 101.71 2dnt n GLY 4 Ca 0.00 0.87 -0.05 0.00 0.00 0.00 0.00 46.02 46.84 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 2.16 -0.24 -0.24 1.61 1.04 -1.26 -5.18 113.70 111.59 2dnt s SER 5 Ca 0.93 -0.19 -0.28 0.00 0.48 0.00 0.00 55.95 56.88 2dnt s SER 5 Cb -1.32 0.40 0.15 0.00 0.10 0.00 0.00 66.02 65.35 2dnt s SER 5 CO 0.70 -0.70 1.16 -0.94 0.98 0.00 0.00 173.24 174.44 2dnt s SER 6 N -2.72 -0.25 0.27 7.02 1.04 -1.26 -5.17 113.70 112.64 2dnt s SER 6 Ca 0.09 0.35 0.00 0.00 0.48 0.00 0.00 55.95 56.87 2dnt s SER 6 Cb -0.01 0.31 0.00 0.00 0.10 0.00 0.00 66.02 66.42 2dnt s SER 6 CO -0.03 -0.18 0.00 0.61 0.98 0.00 0.00 173.24 174.62 2dnt n GLY 7 N 1.07 -0.53 3.08 7.32 0.00 -1.26 -5.06 105.19 109.81 2dnt n GLY 7 Ca -0.08 -1.69 -0.32 0.00 0.00 0.00 0.00 46.02 43.92 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 -0.64 2.29 0.20 1.61 1.75 -1.26 -5.09 119.30 118.16 2dnt s MET 8 Ca 0.00 -1.32 -0.12 0.00 -1.25 0.00 0.00 55.69 53.01 2dnt s MET 8 Cb 0.00 -2.89 -0.00 0.00 2.84 0.00 0.00 34.83 34.78 2dnt s MET 8 CO 0.00 -0.55 0.40 0.00 -0.65 0.00 0.00 175.02 174.21 2dnt s ALA 9 N 1.12 -0.24 -0.54 4.11 0.00 -1.26 -5.12 121.76 119.83 2dnt s ALA 9 Ca -0.08 -0.78 -0.07 0.00 0.00 0.00 0.00 51.96 51.04 2dnt s ALA 9 Cb -0.20 0.95 0.14 0.00 0.00 0.00 0.00 23.12 24.02 2dnt s ALA 9 CO -0.05 -0.75 0.40 0.45 0.00 0.00 0.00 175.76 175.80 2dnt s SER 10 N -2.97 5.61 0.29 0.00 0.15 -1.26 -4.96 113.70 110.56 2dnt s SER 10 Ca 0.18 -2.29 0.00 0.00 0.70 0.00 0.00 55.95 54.54 2dnt s SER 10 Cb 0.01 -1.96 0.00 0.00 -1.71 0.00 0.00 66.02 62.36 2dnt s SER 10 CO 0.03 -0.56 0.00 1.21 1.20 0.00 0.00 173.24 175.12 2dnt n GLU 11 N 4.34 -2.41 -4.49 5.44 2.13 -1.26 -5.04 120.64 119.36 2dnt n GLU 11 Ca 0.00 1.80 -0.24 0.00 0.66 0.00 0.00 57.16 59.38 2dnt n GLU 11 Cb 0.41 -2.06 -0.10 0.00 0.27 0.00 0.00 31.44 29.95 2dnt n GLU 11 CO 0.00 0.00 0.00 -1.21 -0.41 0.00 0.00 177.13 175.51 2dnt s GLU 12 N -4.80 1.71 0.03 5.31 2.02 -1.26 -5.07 118.70 116.64 2dnt s GLU 12 Ca 0.00 -1.81 -0.12 0.00 0.02 0.00 0.00 54.97 53.06 2dnt s GLU 12 Cb 0.00 -1.73 -0.06 0.00 0.10 0.00 0.00 34.13 32.44 2dnt s GLU 12 CO 0.00 0.27 1.18 1.37 0.02 0.00 0.00 175.26 178.11 2dnt h LEU 13 N 2.21 -0.47 -7.00 1.80 -0.00 -2.05 -3.45 115.31 106.34 2dnt h LEU 13 Ca -0.40 0.04 -0.00 0.00 -0.00 0.00 0.00 57.88 57.51 2dnt h LEU 13 Cb 1.26 0.16 -0.22 0.00 -0.00 0.00 0.00 40.66 41.86 2dnt h LEU 13 CO 0.63 -0.21 0.11 -0.31 -0.00 0.00 0.00 178.44 178.66 2dnt s TYR 14 N -3.93 -0.88 -0.15 0.17 2.02 -1.26 -5.06 117.35 108.26 2dnt s TYR 14 Ca -0.06 1.94 -0.26 0.00 -0.37 0.00 0.00 57.07 58.33 2dnt s TYR 14 Cb 0.01 0.43 -0.02 0.00 -0.40 0.00 0.00 41.96 41.99 2dnt s TYR 14 CO 0.20 -0.43 0.85 -1.21 -1.57 0.00 0.00 175.55 173.38 2dnt s GLU 15 N 0.94 4.33 -0.19 -0.62 2.02 -1.26 -4.97 118.70 118.96 2dnt s GLU 15 Ca -0.04 1.06 -0.37 0.00 0.02 0.00 0.00 54.97 55.64 2dnt s GLU 15 Cb -0.05 -3.56 -0.14 0.00 0.10 0.00 0.00 34.13 30.49 2dnt s GLU 15 CO -0.09 -0.29 1.82 0.28 0.02 0.00 0.00 175.26 177.00 2dnt n VAL 16 N 4.62 0.45 -0.07 2.63 0.31 -1.26 -4.86 118.33 120.15 2dnt n VAL 16 Ca 0.05 -0.08 -0.11 0.00 -0.01 0.00 0.00 64.34 64.18 2dnt n VAL 16 Cb 0.49 -1.56 -0.10 0.00 -0.91 0.00 0.00 33.84 31.76 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 8.27 0.00 0.00 5.55 4.81 -1.94 -3.50 114.58 127.77 2dnt h GLU 17 Ca -0.47 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.76 2dnt h GLU 17 Cb 1.30 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.68 2dnt h GLU 17 CO 0.96 0.79 0.00 2.89 -0.73 0.00 0.00 179.01 182.91 2dnt n ARG 18 N -4.64 0.00 -3.53 1.92 1.85 -1.26 -5.00 116.66 106.00 2dnt n ARG 18 Ca -0.09 0.00 -0.37 0.00 -1.00 0.00 0.00 57.85 56.40 2dnt n ARG 18 Cb 0.39 0.00 -0.07 0.00 -1.05 0.00 0.00 32.46 31.73 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 5.27 -0.08 8.89 -1.09 -1.26 -2.88 121.20 128.05 2dnt s ILE 19 Ca 0.00 0.61 0.09 0.00 -2.23 0.00 0.00 60.65 59.12 2dnt s ILE 19 Cb 0.00 -3.65 -0.13 0.00 -1.58 0.00 0.00 42.46 37.10 2dnt s ILE 19 CO 0.00 0.42 0.23 1.33 -1.23 0.00 0.00 174.94 175.69 2dnt n VAL 20 N 3.28 0.00 -3.77 2.92 0.24 0.27 -4.97 118.33 116.30 2dnt n VAL 20 Ca -0.12 -0.22 -0.04 0.00 -2.04 0.00 0.00 64.34 61.92 2dnt n VAL 20 Cb 0.52 0.41 -0.01 0.00 -1.47 0.00 0.00 33.84 33.29 2dnt n VAL 20 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 2dnt s ASP 21 N -2.85 -0.19 -0.25 -1.34 -1.08 -1.18 -4.96 116.67 104.82 2dnt s ASP 21 Ca -0.02 -0.44 -0.23 0.00 -0.52 0.00 0.00 52.55 51.34 2dnt s ASP 21 Cb 0.06 0.53 0.07 0.00 -1.46 0.00 0.00 42.92 42.11 2dnt s ASP 21 CO 0.38 -0.97 0.67 -0.75 0.52 0.00 0.00 175.17 175.01 2dnt s LYS 22 N -3.37 0.77 0.29 4.34 2.20 -1.26 0.19 119.74 122.89 2dnt s LYS 22 Ca 0.12 0.95 -0.20 0.00 -0.36 0.00 0.00 55.97 56.48 2dnt s LYS 22 Cb -0.02 0.36 0.05 0.00 -1.51 0.00 0.00 37.83 36.71 2dnt s LYS 22 CO 0.03 -0.10 0.83 1.03 -0.36 0.00 0.00 175.35 176.79 2dnt s ARG 23 N 0.45 1.81 0.11 4.03 0.52 0.10 -4.97 118.95 121.00 2dnt s ARG 23 Ca -0.01 -1.10 0.03 0.00 -0.52 0.00 0.00 55.73 54.14 2dnt s ARG 23 Cb -0.05 0.55 -0.04 0.00 0.52 0.00 0.00 34.95 35.93 2dnt s ARG 23 CO -0.01 -0.84 0.13 0.21 0.02 0.00 0.00 175.30 174.81 2dnt s LYS 24 N -2.93 2.99 0.76 3.54 2.20 -1.26 0.13 119.74 125.16 2dnt s LYS 24 Ca 0.15 -0.72 -0.08 0.00 -0.36 0.00 0.00 55.97 54.96 2dnt s LYS 24 Cb -0.04 -2.75 0.09 0.00 -1.51 0.00 0.00 37.83 33.61 2dnt s LYS 24 CO 0.08 0.54 1.08 -0.80 -0.36 0.00 0.00 175.35 175.89 2dnt s ASN 25 N -2.70 4.50 0.34 1.43 0.01 0.51 -4.86 114.94 114.18 2dnt s ASN 25 Ca 0.31 0.42 0.04 0.00 -0.71 0.00 0.00 52.86 52.91 2dnt s ASN 25 Cb -0.11 -0.94 0.63 0.00 0.41 0.00 0.00 41.25 41.24 2dnt s ASN 25 CO 0.24 -1.82 1.91 0.50 -1.51 0.00 0.00 177.10 176.42 2dnt h LYS 26 N -0.80 0.58 -0.03 -0.60 3.11 -2.00 -1.02 116.57 115.82 2dnt h LYS 26 Ca -0.44 -0.10 -0.11 0.00 -2.81 0.00 0.00 60.65 57.19 2dnt h LYS 26 Cb 1.30 -0.10 -0.01 0.00 -1.00 0.00 0.00 32.23 32.42 2dnt h LYS 26 CO 0.57 0.54 -0.50 0.87 -2.81 0.00 0.00 179.45 178.11 2dnt h LYS 27 N 0.57 0.07 0.00 1.90 1.79 -2.05 -3.46 116.57 115.38 2dnt h LYS 27 Ca 0.13 -0.04 0.00 0.00 -2.18 0.00 0.00 60.65 58.57 2dnt h LYS 27 Cb 0.22 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.87 2dnt h LYS 27 CO -0.00 0.55 0.00 0.41 -1.08 0.00 0.00 179.45 179.33 2dnt n GLY 28 N -0.06 1.99 3.79 3.86 0.00 -0.39 -5.12 105.19 109.27 2dnt n GLY 28 Ca -0.02 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.64 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 -0.27 3.51 -0.18 1.61 -0.14 -1.25 -4.76 119.74 118.26 2dnt s LYS 29 Ca 0.00 -0.22 -0.29 0.00 -1.36 0.00 0.00 55.97 54.10 2dnt s LYS 29 Cb 0.00 -3.15 0.00 0.00 -1.68 0.00 0.00 37.83 33.01 2dnt s LYS 29 CO 0.00 0.64 1.02 0.99 -0.76 0.00 0.00 175.35 177.24 2dnt s THR 30 N -0.65 4.73 0.03 2.17 2.01 -1.26 0.19 115.64 122.85 2dnt s THR 30 Ca 0.12 2.02 0.08 0.00 0.31 0.00 0.00 61.69 64.23 2dnt s THR 30 Cb -0.12 -4.31 -0.03 0.00 0.01 0.00 0.00 72.50 68.06 2dnt s THR 30 CO 0.02 -0.10 -0.24 -1.61 -0.69 0.00 0.00 174.62 172.00 2dnt s GLU 31 N 2.71 1.71 -0.10 4.92 2.02 0.34 -1.75 118.70 128.56 2dnt s GLU 31 Ca 0.45 -1.00 0.04 0.00 0.02 0.00 0.00 54.97 54.48 2dnt s GLU 31 Cb -0.16 -1.81 0.00 0.00 0.10 0.00 0.00 34.13 32.26 2dnt s GLU 31 CO 0.11 0.48 -0.23 0.71 0.02 0.00 0.00 175.26 176.35 2dnt s TYR 32 N -0.74 2.48 -0.40 1.61 2.02 0.15 0.03 117.35 122.50 2dnt s TYR 32 Ca 0.10 -1.05 -0.29 0.00 -0.37 0.00 0.00 57.07 55.46 2dnt s TYR 32 Cb -0.09 -1.67 0.01 0.00 -0.40 0.00 0.00 41.96 39.80 2dnt s TYR 32 CO 0.01 -0.44 1.46 -1.17 -1.57 0.00 0.00 175.55 173.85 2dnt s LEU 33 N 0.45 3.58 0.05 -1.29 2.96 0.50 -1.95 118.68 122.97 2dnt s LEU 33 Ca -0.17 0.90 0.08 0.00 -0.22 0.00 0.00 54.13 54.72 2dnt s LEU 33 Cb -0.17 -3.54 -0.03 0.00 0.50 0.00 0.00 46.19 42.95 2dnt s LEU 33 CO 0.07 -1.47 -0.22 0.54 -1.32 0.00 0.00 176.35 173.95 2dnt s VAL 34 N 5.62 1.78 0.74 1.68 0.11 -0.96 0.96 120.40 130.33 2dnt s VAL 34 Ca 0.64 -1.27 -0.04 0.00 -2.93 0.00 0.00 61.98 58.37 2dnt s VAL 34 Cb -0.15 -1.55 0.12 0.00 -1.53 0.00 0.00 36.38 33.27 2dnt s VAL 34 CO 0.33 0.22 1.03 -0.13 -3.33 0.00 0.00 175.10 173.22 2dnt s ARG 35 N -1.26 1.69 0.16 1.54 1.81 -1.14 -3.13 118.95 118.62 2dnt s ARG 35 Ca 0.08 -0.79 -0.24 0.00 -1.72 0.00 0.00 55.73 53.07 2dnt s ARG 35 Cb -0.09 -2.23 0.06 0.00 -0.45 0.00 0.00 34.95 32.24 2dnt s ARG 35 CO 0.02 -1.50 0.75 -1.58 -0.68 0.00 0.00 175.30 172.31 2dnt s TRP 36 N -3.25 -0.34 0.10 -0.53 0.52 -1.26 -3.79 118.94 110.39 2dnt s TRP 36 Ca 0.65 0.06 -0.31 0.00 0.02 0.00 0.00 56.10 56.53 2dnt s TRP 36 Cb -0.07 0.61 -0.07 0.00 -1.15 0.00 0.00 33.47 32.80 2dnt s TRP 36 CO 0.45 -0.89 1.23 -1.59 0.02 0.00 0.00 176.95 176.17 2dnt s LYS 37 N -3.60 4.43 0.00 4.98 -2.85 -1.26 -3.30 119.74 118.13 2dnt s LYS 37 Ca 0.06 1.86 0.00 0.00 -1.00 0.00 0.00 55.97 56.89 2dnt s LYS 37 Cb -0.02 -3.30 0.00 0.00 -2.06 0.00 0.00 37.83 32.45 2dnt s LYS 37 CO -0.04 -0.25 0.00 0.41 0.10 0.00 0.00 175.35 175.57 2dnt n GLY 38 N 2.99 2.92 3.62 0.59 0.00 -1.26 -5.01 105.19 109.04 2dnt n GLY 38 Ca 0.08 -0.75 -0.43 0.00 0.00 0.00 0.00 46.02 44.92 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 1.58 0.72 1.61 2.02 -1.21 -4.96 117.35 117.11 2dnt s TYR 39 Ca 0.00 0.40 -0.10 0.00 -0.37 0.00 0.00 57.07 57.00 2dnt s TYR 39 Cb 0.00 -4.04 0.16 0.00 -0.40 0.00 0.00 41.96 37.68 2dnt s TYR 39 CO 0.00 -3.76 0.36 -0.25 -1.57 0.00 0.00 175.55 170.33 2dnt n ASP 40 N 9.84 -2.66 -0.04 2.29 9.92 -1.26 -4.60 116.55 130.04 2dnt n ASP 40 Ca 0.24 -0.36 -0.05 0.00 -0.53 0.00 0.00 54.79 54.08 2dnt n ASP 40 Cb 0.45 -0.52 0.16 0.00 -0.64 0.00 0.00 41.12 40.57 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 -2.56 0.63 -0.55 -2.24 0.87 -1.97 -2.20 113.55 105.53 2dnt h SER 41 Ca -0.16 -0.20 -0.03 0.00 -1.23 0.00 0.00 61.79 60.16 2dnt h SER 41 Cb 0.55 -0.17 -0.02 0.00 -0.44 0.00 0.00 62.40 62.32 2dnt h SER 41 CO 0.10 0.82 0.04 -1.84 -0.53 0.00 0.00 176.83 175.42 2dnt n GLU 42 N -4.14 4.37 0.00 2.24 0.28 -1.26 -3.79 120.64 118.34 2dnt n GLU 42 Ca 0.00 -2.84 0.02 0.00 -0.16 0.00 0.00 57.16 54.19 2dnt n GLU 42 Cb 0.39 -2.19 -0.02 0.00 1.43 0.00 0.00 31.44 31.05 2dnt n GLU 42 CO 0.00 0.00 0.00 -3.47 -0.16 0.00 0.00 177.13 173.50 2dnt n ASP 43 N 0.46 0.41 -4.10 -1.84 -0.08 -0.84 -5.05 116.55 105.51 2dnt n ASP 43 Ca 0.27 -0.71 -0.37 0.00 -1.51 0.00 0.00 54.79 52.48 2dnt n ASP 43 Cb 1.14 0.86 0.04 0.00 2.34 0.00 0.00 41.12 45.50 2dnt n ASP 43 CO 0.00 0.00 0.00 -0.90 0.12 0.00 0.00 177.20 176.42 2dnt n ASP 44 N -0.92 -5.04 -4.46 1.67 5.68 -1.16 -4.77 116.55 107.55 2dnt n ASP 44 Ca 0.01 0.33 -0.23 0.00 -0.50 0.00 0.00 54.79 54.40 2dnt n ASP 44 Cb 0.09 -0.82 -0.10 0.00 -1.14 0.00 0.00 41.12 39.14 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 -2.02 2.06 -0.33 2.12 -4.23 -1.18 -5.03 115.64 107.04 2dnt s THR 45 Ca 0.46 -2.24 -0.06 0.00 -1.18 0.00 0.00 61.69 58.67 2dnt s THR 45 Cb -0.27 -2.41 0.03 0.00 1.34 0.00 0.00 72.50 71.19 2dnt s THR 45 CO 0.77 -0.34 0.10 0.26 -0.54 0.00 0.00 174.62 174.86 2dnt s TRP 46 N -2.75 3.23 -0.11 3.99 0.52 -1.26 -2.27 118.94 120.29 2dnt s TRP 46 Ca 0.29 -1.34 -0.03 0.00 0.02 0.00 0.00 56.10 55.05 2dnt s TRP 46 Cb 0.00 -2.27 -0.03 0.00 -1.15 0.00 0.00 33.47 30.02 2dnt s TRP 46 CO 0.13 -0.70 -0.00 -1.21 0.02 0.00 0.00 176.95 175.19 2dnt s GLU 47 N 1.42 3.22 0.17 4.98 0.41 -0.82 -4.84 118.70 123.23 2dnt s GLU 47 Ca -0.01 -0.43 -0.30 0.00 -0.41 0.00 0.00 54.97 53.82 2dnt s GLU 47 Cb -0.19 -2.85 -0.07 0.00 -1.78 0.00 0.00 34.13 29.23 2dnt s GLU 47 CO 0.03 0.56 1.12 -1.25 -0.49 0.00 0.00 175.26 175.23 2dnt s PRO 48 N -0.49 4.56 0.54 0.39 0.04 -1.26 0.33 135.00 139.12 2dnt s PRO 48 Ca 0.09 1.74 0.48 0.00 0.04 0.00 0.00 61.00 63.35 2dnt s PRO 48 Cb -0.12 -3.28 1.71 0.00 0.04 0.00 0.00 34.50 32.85 2dnt s PRO 48 CO 0.02 0.02 1.57 -1.91 0.04 0.00 0.00 177.00 176.74 2dnt n GLU 49 N 2.54 -0.00 -0.02 4.56 0.00 -0.71 0.19 120.64 127.20 2dnt n GLU 49 Ca 0.04 1.11 -0.10 0.00 0.00 0.00 0.00 57.16 58.20 2dnt n GLU 49 Cb 0.46 -2.51 -0.04 0.00 0.00 0.00 0.00 31.44 29.35 2dnt n GLU 49 CO 0.00 0.00 0.00 0.37 0.00 0.00 0.00 177.13 177.50 2dnt h GLN 50 N 0.00 0.16 0.00 5.31 4.15 -1.90 -1.84 115.11 121.00 2dnt h GLN 50 Ca 0.94 -0.01 -0.08 0.00 0.77 0.00 0.00 58.65 60.27 2dnt h GLN 50 Cb 3.68 -0.04 -0.01 0.00 0.21 0.00 0.00 27.48 31.33 2dnt h GLN 50 CO -0.07 0.11 -0.37 0.45 -1.93 0.00 0.00 178.83 177.02 2dnt h HIS 51 N 0.17 0.00 -0.43 3.99 3.86 0.17 -3.31 115.15 119.60 2dnt h HIS 51 Ca 0.05 0.00 -0.72 0.00 -1.16 0.00 0.00 60.37 58.54 2dnt h HIS 51 Cb -0.01 0.00 -0.06 0.00 1.06 0.00 0.00 27.41 28.40 2dnt h HIS 51 CO -0.08 0.37 2.92 1.28 0.86 0.00 0.00 177.93 183.27 2dnt n LEU 52 N -3.68 7.18 -4.80 2.43 4.77 -0.58 -4.94 117.00 117.39 2dnt n LEU 52 Ca -0.01 -4.35 -0.38 0.00 -0.03 0.00 0.00 56.01 51.24 2dnt n LEU 52 Cb 0.47 -1.58 -0.06 0.00 -2.33 0.00 0.00 43.42 39.92 2dnt n LEU 52 CO 0.37 1.39 0.45 -0.69 -1.33 0.00 0.00 177.39 177.57 2dnt s VAL 53 N 2.04 4.47 -1.35 4.08 1.01 -1.25 -3.39 120.40 126.01 2dnt s VAL 53 Ca 0.49 1.50 0.00 0.00 0.00 0.00 0.00 61.98 63.97 2dnt s VAL 53 Cb 0.14 -4.00 0.00 0.00 0.00 0.00 0.00 36.38 32.52 2dnt s VAL 53 CO -0.06 0.37 0.00 0.59 0.00 0.00 0.00 175.10 176.00 2dnt n ASN 54 N 1.18 -5.70 -0.56 3.32 3.02 -1.26 -4.74 115.26 110.53 2dnt n ASN 54 Ca -0.04 0.32 0.05 0.00 -0.03 0.00 0.00 54.58 54.88 2dnt n ASN 54 Cb 0.50 -4.32 0.11 0.00 -0.61 0.00 0.00 39.78 35.47 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 2.00 0.15 -0.16 0.00 5.08 -1.85 -1.98 114.58 117.82 2dnt h GLU 56 Ca 0.00 -0.01 0.01 0.00 -1.00 0.00 0.00 59.36 58.37 2dnt h GLU 56 Cb 0.64 -0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.83 2dnt h GLU 56 CO 0.00 0.10 -0.10 1.49 -1.00 0.00 0.00 179.01 179.50 2dnt h GLU 57 N 0.15 -0.01 -0.57 2.33 4.81 -1.97 1.30 114.58 120.63 2dnt h GLU 57 Ca 0.44 0.00 0.06 0.00 -0.13 0.00 0.00 59.36 59.73 2dnt h GLU 57 Cb 0.81 0.00 -0.09 0.00 0.63 0.00 0.00 28.75 30.11 2dnt h GLU 57 CO -0.64 -0.01 -0.51 1.88 -0.73 0.00 0.00 179.01 179.00 2dnt h TYR 58 N -0.01 -1.59 -0.19 0.92 0.05 -1.73 0.33 116.97 114.76 2dnt h TYR 58 Ca 0.03 0.09 0.05 0.00 0.05 0.00 0.00 58.73 58.94 2dnt h TYR 58 Cb 0.08 0.77 -0.07 0.00 1.01 0.00 0.00 36.73 38.51 2dnt h TYR 58 CO -0.90 -0.40 -0.41 0.82 -1.05 0.00 0.00 178.16 176.23 2dnt h ILE 59 N -0.22 0.16 -0.54 -2.88 2.04 -1.05 0.63 117.51 115.65 2dnt h ILE 59 Ca 0.09 0.00 0.06 0.00 1.00 0.00 0.00 64.86 66.02 2dnt h ILE 59 Cb 0.47 0.16 -0.09 0.00 -0.74 0.00 0.00 36.82 36.61 2dnt h ILE 59 CO -0.65 0.00 -0.54 0.45 0.00 0.00 0.00 178.15 177.41 2dnt h HIS 60 N -0.44 -1.65 -0.23 1.37 3.86 0.31 1.37 115.15 119.74 2dnt h HIS 60 Ca 0.09 0.09 0.06 0.00 -1.16 0.00 0.00 60.37 59.45 2dnt h HIS 60 Cb 0.61 0.79 -0.06 0.00 1.06 0.00 0.00 27.41 29.81 2dnt h HIS 60 CO -0.50 -0.46 -0.14 0.22 0.86 0.00 0.00 177.93 177.90 2dnt h ASP 61 N -0.30 -0.47 -1.00 2.45 3.58 0.48 0.24 116.42 121.39 2dnt h ASP 61 Ca 0.11 0.10 0.11 0.00 0.42 0.00 0.00 57.03 57.78 2dnt h ASP 61 Cb 0.56 0.25 -0.08 0.00 1.72 0.00 0.00 39.33 41.78 2dnt h ASP 61 CO -0.67 -0.18 0.64 0.15 -2.88 0.00 0.00 179.24 176.29 2dnt h PHE 62 N -0.13 1.15 -0.17 0.28 3.57 0.25 0.13 116.94 122.02 2dnt h PHE 62 Ca 0.13 0.03 -0.02 0.00 3.53 0.00 0.00 57.97 61.64 2dnt h PHE 62 Cb 0.32 -0.37 -0.01 0.00 2.79 0.00 0.00 35.95 38.69 2dnt h PHE 62 CO -0.31 0.47 0.03 -0.91 -2.23 0.00 0.00 178.31 175.36 2dnt h ASN 63 N 1.01 0.28 0.46 0.41 2.35 0.34 -0.17 115.58 120.26 2dnt h ASN 63 Ca 0.49 -0.26 -0.02 0.00 -0.55 0.00 0.00 56.30 55.97 2dnt h ASN 63 Cb 0.46 -0.07 -0.00 0.00 0.05 0.00 0.00 38.32 38.75 2dnt h ASN 63 CO -0.25 0.46 -0.31 0.03 -1.65 0.00 0.00 177.43 175.71 2dnt h ARG 64 N 0.08 -0.70 -0.45 0.81 2.47 0.58 -1.90 114.38 115.27 2dnt h ARG 64 Ca 0.05 0.05 0.08 0.00 -1.26 0.00 0.00 59.98 58.91 2dnt h ARG 64 Cb 0.30 0.16 -0.10 0.00 -1.65 0.00 0.00 29.97 28.68 2dnt h ARG 64 CO 0.00 -0.47 -0.35 0.00 0.56 0.00 0.00 179.97 179.72 2dnt h ARG 65 N -0.73 -0.23 -0.13 0.04 2.47 -0.84 -2.35 114.38 112.61 2dnt h ARG 65 Ca -0.06 0.02 0.01 0.00 -1.26 0.00 0.00 59.98 58.69 2dnt h ARG 65 Cb 0.59 0.05 -0.02 0.00 -1.65 0.00 0.00 29.97 28.95 2dnt h ARG 65 CO 0.05 -0.15 -0.09 1.25 0.56 0.00 0.00 179.97 181.58 2dnt h HIS 66 N -0.24 -0.28 -4.16 3.04 2.76 -0.92 -3.40 115.15 111.95 2dnt h HIS 66 Ca 0.18 0.02 -0.48 0.00 -2.20 0.00 0.00 60.37 57.89 2dnt h HIS 66 Cb 0.55 0.14 0.13 0.00 1.55 0.00 0.00 27.41 29.78 2dnt h HIS 66 CO -0.58 -0.06 0.28 0.99 -1.30 0.00 0.00 177.93 177.26 2dnt s THR 67 N -3.39 2.73 -0.66 6.26 2.01 -0.72 -5.01 115.64 116.86 2dnt s THR 67 Ca -0.02 0.24 0.01 0.00 0.31 0.00 0.00 61.69 62.23 2dnt s THR 67 Cb 0.02 -2.84 0.16 0.00 0.01 0.00 0.00 72.50 69.85 2dnt s THR 67 CO 0.09 -0.31 0.46 -1.61 -0.69 0.00 0.00 174.62 172.56 2dnt s GLU 68 N -5.04 2.50 0.05 4.92 2.02 -1.26 -4.82 118.70 117.06 2dnt s GLU 68 Ca 0.63 -2.85 0.03 0.00 0.02 0.00 0.00 54.97 52.80 2dnt s GLU 68 Cb -0.16 -3.59 -0.02 0.00 0.10 0.00 0.00 34.13 30.45 2dnt s GLU 68 CO 0.56 -1.19 -0.11 0.15 0.02 0.00 0.00 175.26 174.69 2dnt s LYS 69 N -0.62 0.67 -0.41 1.61 1.02 -1.26 -5.10 119.74 115.65 2dnt s LYS 69 Ca 0.20 -0.78 -0.28 0.00 0.02 0.00 0.00 55.97 55.13 2dnt s LYS 69 Cb -0.17 -0.56 -0.00 0.00 -0.52 0.00 0.00 37.83 36.58 2dnt s LYS 69 CO -0.06 0.12 1.56 -0.65 -0.92 0.00 0.00 175.35 175.40 2dnt s GLN 70 N -1.46 3.41 -0.15 1.68 -1.52 -1.26 -4.96 119.66 115.40 2dnt s GLN 70 Ca -0.05 1.03 -0.01 0.00 -1.95 0.00 0.00 55.36 54.38 2dnt s GLN 70 Cb -0.09 -4.11 0.04 0.00 -0.22 0.00 0.00 33.01 28.62 2dnt s GLN 70 CO 0.01 -1.77 -0.06 0.21 -0.25 0.00 0.00 175.29 173.43 2dnt s LYS 71 N 5.36 1.44 -0.83 2.91 2.36 -1.26 -5.06 119.74 124.66 2dnt s LYS 71 Ca 0.67 -0.44 -0.25 0.00 -2.55 0.00 0.00 55.97 53.39 2dnt s LYS 71 Cb -0.16 -1.90 -0.08 0.00 -1.05 0.00 0.00 37.83 34.64 2dnt s LYS 71 CO 0.32 -0.39 2.13 -1.21 1.55 0.00 0.00 175.35 177.74 2dnt s GLU 72 N 1.66 2.19 -0.30 4.03 0.41 -1.26 -4.67 118.70 120.75 2dnt s GLU 72 Ca 0.02 0.11 -0.14 0.00 -0.41 0.00 0.00 54.97 54.55 2dnt s GLU 72 Cb -0.15 -4.90 0.19 0.00 -1.78 0.00 0.00 34.13 27.49 2dnt s GLU 72 CO -0.08 -3.74 1.14 0.45 -0.49 0.00 0.00 175.26 172.54 2dnt s SER 73 N 9.25 -0.10 0.00 -0.19 0.15 -1.26 -5.17 113.70 116.38 2dnt s SER 73 Ca 0.79 -0.03 0.00 0.00 0.70 0.00 0.00 55.95 57.42 2dnt s SER 73 Cb -0.10 0.46 0.00 0.00 -1.71 0.00 0.00 66.02 64.67 2dnt s SER 73 CO 0.05 -0.01 0.00 0.61 1.20 0.00 0.00 173.24 175.08 2dnt n GLY 74 N 4.08 4.22 3.51 9.45 0.00 -1.26 -5.00 105.19 120.19 2dnt n GLY 74 Ca 0.07 -1.33 -0.37 0.00 0.00 0.00 0.00 46.02 44.39 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 -1.81 2.40 -2.16 1.61 -0.04 -1.26 -4.95 135.00 128.80 2dnt n PRO 75 Ca 0.00 -2.82 -0.41 0.00 -0.04 0.00 0.00 63.50 60.23 2dnt n PRO 75 Cb 0.00 -3.56 -0.02 0.00 -0.04 0.00 0.00 33.50 29.87 2dnt n PRO 75 CO 0.00 0.00 0.00 -1.12 -0.04 0.00 0.00 175.50 174.34 2dnt s SER 76 N 5.19 6.83 -0.21 3.54 0.01 -1.26 -4.31 113.70 123.49 2dnt s SER 76 Ca 0.60 2.61 -0.03 0.00 1.31 0.00 0.00 55.95 60.44 2dnt s SER 76 Cb 0.03 -2.64 0.01 0.00 0.21 0.00 0.00 66.02 63.63 2dnt s SER 76 CO 0.10 -0.50 0.06 -0.24 0.41 0.00 0.00 173.24 173.07 2dnt n SER 77 N 1.20 -4.82 0.00 2.44 2.88 -1.26 -5.24 113.62 108.82 2dnt n SER 77 Ca 0.01 1.10 0.13 0.00 -1.33 0.00 0.00 58.87 58.78 2dnt n SER 77 Cb 0.42 -4.36 0.78 0.00 -0.75 0.00 0.00 64.21 60.30 2dnt n SER 77 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42