#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hsh s SER 0 N 0.00 4.53 0.00 1.61 0.01 -1.26 -5.11 113.70 113.49 3hsh s SER 0 Ca 0.00 -0.40 0.00 0.00 1.31 0.00 0.00 55.95 56.86 3hsh s SER 0 Cb 0.00 -0.90 0.00 0.00 0.21 0.00 0.00 66.02 65.33 3hsh s SER 0 CO 0.00 0.14 0.00 -1.54 0.41 0.00 0.00 173.24 172.25 3hsh n SER 1 N 0.34 0.00 0.00 2.44 3.41 -1.26 -5.09 113.62 113.45 3hsh n SER 1 Ca -0.12 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.49 3hsh n SER 1 Cb 0.54 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.49 3hsh n SER 1 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3hsh n GLY 2 N 3.50 -0.63 2.91 5.00 0.00 -1.26 -5.06 105.19 109.65 3hsh n GLY 2 Ca 0.00 -0.57 -0.24 0.00 0.00 0.00 0.00 46.02 45.22 3hsh n GLY 2 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3hsh s VAL 3 N -3.99 0.82 -0.05 1.61 1.01 -1.26 -0.43 120.40 118.11 3hsh s VAL 3 Ca 0.00 -0.23 0.01 0.00 0.00 0.00 0.00 61.98 61.77 3hsh s VAL 3 Cb 0.00 -0.84 -0.03 0.00 0.00 0.00 0.00 36.38 35.51 3hsh s VAL 3 CO 0.00 0.31 -0.06 -0.13 0.00 0.00 0.00 175.10 175.22 3hsh s ARG 4 N 1.28 2.72 -0.08 2.72 1.81 -0.13 -4.96 118.95 122.31 3hsh s ARG 4 Ca -0.04 -0.58 -0.01 0.00 -1.72 0.00 0.00 55.73 53.38 3hsh s ARG 4 Cb -0.14 -2.58 -0.03 0.00 -0.45 0.00 0.00 34.95 31.75 3hsh s ARG 4 CO -0.03 0.65 -0.03 -0.51 -0.68 0.00 0.00 175.30 174.71 3hsh s LEU 5 N -0.94 3.41 0.06 2.53 1.43 -1.26 -1.07 118.68 122.83 3hsh s LEU 5 Ca 0.13 0.07 0.05 0.00 -1.03 0.00 0.00 54.13 53.35 3hsh s LEU 5 Cb -0.11 -1.77 -0.03 0.00 0.03 0.00 0.00 46.19 44.32 3hsh s LEU 5 CO 0.03 0.37 -0.13 0.26 0.23 0.00 0.00 176.35 177.11 3hsh s TRP 6 N -0.86 1.12 0.14 0.29 0.51 -0.01 -4.96 118.94 115.17 3hsh s TRP 6 Ca 0.13 -0.44 -0.10 0.00 -2.12 0.00 0.00 56.10 53.56 3hsh s TRP 6 Cb -0.11 -0.64 -0.05 0.00 -0.81 0.00 0.00 33.47 31.86 3hsh s TRP 6 CO 0.02 0.03 1.44 0.00 -0.51 0.00 0.00 176.95 177.93 3hsh h ALA 7 N 4.45 0.52 -2.70 0.98 0.00 -1.95 -0.92 119.26 119.64 3hsh h ALA 7 Ca -0.39 -0.50 -0.30 0.00 0.00 0.00 0.00 54.91 53.71 3hsh h ALA 7 Cb 1.19 -0.09 -0.18 0.00 0.00 0.00 0.00 17.79 18.72 3hsh h ALA 7 CO 0.41 0.68 -0.73 0.95 0.00 0.00 0.00 179.25 180.56 3hsh s THR 8 N -4.18 0.88 0.30 0.00 -4.23 -1.26 -1.17 115.64 105.97 3hsh s THR 8 Ca -0.10 -1.63 0.04 0.00 -1.18 0.00 0.00 61.69 58.81 3hsh s THR 8 Cb 0.11 -1.34 0.07 0.00 1.34 0.00 0.00 72.50 72.68 3hsh s THR 8 CO 0.88 -0.59 1.74 -0.09 -0.54 0.00 0.00 174.62 176.03 3hsh h ARG 9 N 3.56 0.41 -0.48 3.99 2.43 -1.92 -1.98 114.38 120.38 3hsh h ARG 9 Ca -0.37 -0.15 0.00 0.00 -0.81 0.00 0.00 59.98 58.65 3hsh h ARG 9 Cb 1.19 -0.03 -0.02 0.00 -0.42 0.00 0.00 29.97 30.69 3hsh h ARG 9 CO 0.53 0.64 0.31 0.37 -1.51 0.00 0.00 179.97 180.32 3hsh h GLN 10 N 0.37 0.64 -0.25 0.20 4.15 -1.99 -0.86 115.11 117.37 3hsh h GLN 10 Ca 0.05 -0.04 -0.05 0.00 0.77 0.00 0.00 58.65 59.38 3hsh h GLN 10 Cb 0.65 -0.14 -0.01 0.00 0.21 0.00 0.00 27.48 28.19 3hsh h GLN 10 CO 0.05 0.44 -0.04 0.00 -1.93 0.00 0.00 178.83 177.34 3hsh h ALA 11 N 1.17 0.34 0.01 3.38 0.00 -1.93 -3.08 119.26 119.15 3hsh h ALA 11 Ca 0.18 -0.25 0.03 0.00 0.00 0.00 0.00 54.91 54.86 3hsh h ALA 11 Cb -0.06 -0.09 -0.04 0.00 0.00 0.00 0.00 17.79 17.61 3hsh h ALA 11 CO -0.04 0.12 -0.21 1.98 0.00 0.00 0.00 179.25 181.10 3hsh h MET 12 N 0.21 -0.33 -0.06 0.00 1.85 -1.12 -1.37 114.93 114.10 3hsh h MET 12 Ca 0.06 0.02 0.02 0.00 -0.61 0.00 0.00 59.70 59.20 3hsh h MET 12 Cb 0.49 0.08 -0.00 0.00 0.43 0.00 0.00 31.60 32.60 3hsh h MET 12 CO 0.02 -0.22 0.17 -0.07 -0.40 0.00 0.00 176.91 176.41 3hsh h LEU 13 N -0.34 0.00 -0.32 3.39 3.38 -1.17 0.11 115.31 120.36 3hsh h LEU 13 Ca 0.06 0.00 -0.19 0.00 0.09 0.00 0.00 57.88 57.84 3hsh h LEU 13 Cb 0.42 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.16 3hsh h LEU 13 CO -0.19 0.00 -0.85 1.23 0.09 0.00 0.00 178.44 178.72 3hsh h GLY 14 N 0.00 0.23 -0.41 0.83 0.00 -1.16 -3.34 103.07 99.23 3hsh h GLY 14 Ca 0.03 -0.39 0.00 0.00 0.00 0.00 0.00 47.33 46.97 3hsh h GLY 14 CO -0.00 0.35 0.00 -1.06 0.00 0.00 0.00 176.54 175.83 3hsh n GLN 15 N -3.68 1.64 0.30 4.80 6.02 -0.16 -4.70 117.38 121.60 3hsh n GLN 15 Ca -0.04 -1.33 0.16 0.00 -0.01 0.00 0.00 57.00 55.79 3hsh n GLN 15 Cb 0.79 -1.09 0.94 0.00 1.02 0.00 0.00 30.24 31.90 3hsh n GLN 15 CO 0.00 0.00 0.00 -0.24 -1.01 0.00 0.00 177.06 175.81 3hsh h VAL 16 N 0.76 0.42 -0.92 5.09 3.04 -0.99 -2.22 116.25 121.43 3hsh h VAL 16 Ca 0.00 -0.11 0.02 0.00 -1.01 0.00 0.00 66.70 65.60 3hsh h VAL 16 Cb 0.42 1.07 -0.05 0.00 -2.01 0.00 0.00 31.29 30.73 3hsh h VAL 16 CO 0.00 0.02 0.60 0.45 -1.01 0.00 0.00 177.57 177.64 3hsh h HIS 17 N 0.00 1.14 0.00 3.17 3.86 -1.85 -2.66 115.15 118.81 3hsh h HIS 17 Ca -0.00 0.03 0.00 0.00 -1.16 0.00 0.00 60.37 59.24 3hsh h HIS 17 Cb 0.07 -0.38 0.00 0.00 1.06 0.00 0.00 27.41 28.16 3hsh h HIS 17 CO 0.00 0.68 0.00 0.39 0.86 0.00 0.00 177.93 179.86 3hsh n GLU 18 N -4.48 0.31 -2.86 2.45 4.71 -0.83 -4.72 120.64 115.22 3hsh n GLU 18 Ca 0.11 0.00 -0.42 0.00 -0.01 0.00 0.00 57.16 56.85 3hsh n GLU 18 Cb 0.06 -1.50 -0.04 0.00 -1.01 0.00 0.00 31.44 28.95 3hsh n GLU 18 CO 0.00 0.00 0.00 0.08 0.09 0.00 0.00 177.13 177.30 3hsh s VAL 19 N -2.69 4.86 0.90 2.62 1.01 -1.00 -5.02 120.40 121.06 3hsh s VAL 19 Ca 0.24 1.69 -0.11 0.00 0.00 0.00 0.00 61.98 63.80 3hsh s VAL 19 Cb 0.20 -4.16 0.13 0.00 0.00 0.00 0.00 36.38 32.54 3hsh s VAL 19 CO 0.48 0.01 1.10 -2.84 0.00 0.00 0.00 175.10 173.84 3hsh s PRO 20 N 2.24 1.24 0.43 2.72 0.02 -1.26 -4.97 135.00 135.43 3hsh s PRO 20 Ca 0.39 1.06 -0.26 0.00 0.02 0.00 0.00 61.00 62.21 3hsh s PRO 20 Cb -0.17 -1.79 -0.09 0.00 0.02 0.00 0.00 34.50 32.48 3hsh s PRO 20 CO 0.12 -2.32 1.44 -1.21 -0.33 0.00 0.00 177.00 174.70 3hsh s GLU 21 N -4.82 3.81 0.00 5.54 2.02 -1.26 -3.05 118.70 120.94 3hsh s GLU 21 Ca 0.64 2.45 0.00 0.00 0.02 0.00 0.00 54.97 58.08 3hsh s GLU 21 Cb -0.19 -2.74 0.00 0.00 0.10 0.00 0.00 34.13 31.29 3hsh s GLU 21 CO 0.58 -0.73 0.00 0.41 0.02 0.00 0.00 175.26 175.54 3hsh n GLY 22 N 0.55 1.11 3.79 -1.39 0.00 0.10 -4.99 105.19 104.37 3hsh n GLY 22 Ca 0.04 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.68 3hsh n GLY 22 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 3hsh s TRP 23 N -2.71 3.82 0.34 1.61 0.52 -1.17 -4.52 118.94 116.84 3hsh s TRP 23 Ca 0.00 1.51 -0.16 0.00 0.02 0.00 0.00 56.10 57.47 3hsh s TRP 23 Cb 0.00 -2.69 -0.09 0.00 -1.15 0.00 0.00 33.47 29.54 3hsh s TRP 23 CO 0.00 0.48 0.77 -0.51 0.02 0.00 0.00 176.95 177.71 3hsh s LEU 24 N -1.37 4.06 -0.08 2.99 1.02 0.43 -0.94 118.68 124.79 3hsh s LEU 24 Ca 0.37 1.36 0.02 0.00 0.02 0.00 0.00 54.13 55.89 3hsh s LEU 24 Cb -0.21 -4.13 0.02 0.00 0.02 0.00 0.00 46.19 41.88 3hsh s LEU 24 CO 0.24 -0.22 -0.12 -0.63 0.02 0.00 0.00 176.35 175.64 3hsh s ILE 25 N -1.99 1.19 -0.03 -0.59 1.01 0.67 -0.96 121.20 120.49 3hsh s ILE 25 Ca 0.55 -0.47 0.06 0.00 0.00 0.00 0.00 60.65 60.78 3hsh s ILE 25 Cb -0.10 -1.11 -0.01 0.00 0.01 0.00 0.00 42.46 41.25 3hsh s ILE 25 CO 0.17 0.38 -0.22 0.12 0.00 0.00 0.00 174.94 175.39 3hsh s PHE 26 N 0.93 2.05 -0.28 3.97 5.36 -0.23 -0.25 117.98 129.54 3hsh s PHE 26 Ca -0.09 -0.50 0.01 0.00 -0.96 0.00 0.00 56.93 55.39 3hsh s PHE 26 Cb -0.15 -1.34 0.06 0.00 -0.34 0.00 0.00 43.02 41.24 3hsh s PHE 26 CO 0.00 -0.12 -0.07 0.08 -1.46 0.00 0.00 175.22 173.66 3hsh s VAL 27 N -0.28 2.47 0.15 3.12 1.01 -0.53 -0.83 120.40 125.50 3hsh s VAL 27 Ca 0.02 -1.56 -0.16 0.00 0.00 0.00 0.00 61.98 60.28 3hsh s VAL 27 Cb -0.11 -2.45 0.02 0.00 0.00 0.00 0.00 36.38 33.84 3hsh s VAL 27 CO 0.01 -0.07 1.78 0.00 0.00 0.00 0.00 175.10 176.82 3hsh h ALA 28 N 7.85 0.54 0.07 5.51 0.00 -1.21 -0.18 119.26 131.84 3hsh h ALA 28 Ca -0.19 -0.06 0.02 0.00 0.00 0.00 0.00 54.91 54.68 3hsh h ALA 28 Cb 1.05 -0.17 -0.04 0.00 0.00 0.00 0.00 17.79 18.62 3hsh h ALA 28 CO 0.49 0.03 -0.32 1.49 0.00 0.00 0.00 179.25 180.94 3hsh h GLU 29 N 0.55 -0.49 -0.00 0.00 4.57 -1.39 -2.76 114.58 115.07 3hsh h GLU 29 Ca 0.15 0.03 0.00 0.00 -1.18 0.00 0.00 59.36 58.36 3hsh h GLU 29 Cb 0.01 0.11 0.00 0.00 -0.16 0.00 0.00 28.75 28.71 3hsh h GLU 29 CO -0.03 -0.33 -0.06 1.04 -1.18 0.00 0.00 179.01 178.45 3hsh n GLN 30 N -5.41 0.26 -3.92 1.92 3.00 -1.10 -4.92 117.38 107.21 3hsh n GLN 30 Ca -0.06 -0.04 -0.29 0.00 -0.01 0.00 0.00 57.00 56.60 3hsh n GLN 30 Cb 0.33 -1.50 0.02 0.00 0.00 0.00 0.00 30.24 29.09 3hsh n GLN 30 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.06 177.45 3hsh n GLU 31 N -1.34 -5.05 -4.56 -1.09 1.02 -0.10 -4.98 120.64 104.54 3hsh n GLU 31 Ca 0.11 0.56 -0.30 0.00 -0.02 0.00 0.00 57.16 57.51 3hsh n GLU 31 Cb 0.29 -5.35 -0.12 0.00 -0.02 0.00 0.00 31.44 26.24 3hsh n GLU 31 CO 0.00 0.00 0.00 -1.21 1.18 0.00 0.00 177.13 177.10 3hsh s GLU 32 N -6.56 2.02 -0.02 3.49 2.02 -1.09 -4.98 118.70 113.57 3hsh s GLU 32 Ca 0.54 -1.02 0.07 0.00 0.02 0.00 0.00 54.97 54.58 3hsh s GLU 32 Cb -0.28 -2.18 -0.02 0.00 0.10 0.00 0.00 34.13 31.76 3hsh s GLU 32 CO 0.84 0.53 -0.22 -1.17 0.02 0.00 0.00 175.26 175.26 3hsh s LEU 33 N -1.61 2.04 0.07 1.80 2.96 -1.26 -1.45 118.68 121.22 3hsh s LEU 33 Ca 0.16 -0.40 -0.00 0.00 -0.22 0.00 0.00 54.13 53.67 3hsh s LEU 33 Cb -0.11 -1.12 -0.04 0.00 0.50 0.00 0.00 46.19 45.42 3hsh s LEU 33 CO 0.07 0.26 -0.04 -0.31 -1.32 0.00 0.00 176.35 175.01 3hsh s TYR 34 N -0.47 0.66 -0.09 5.38 2.02 0.65 -0.52 117.35 124.99 3hsh s TYR 34 Ca 0.07 -1.02 0.03 0.00 -0.37 0.00 0.00 57.07 55.78 3hsh s TYR 34 Cb -0.09 -0.44 -0.01 0.00 -0.40 0.00 0.00 41.96 41.02 3hsh s TYR 34 CO -0.01 -0.31 -0.20 0.54 -1.57 0.00 0.00 175.55 174.01 3hsh s VAL 35 N -3.82 2.50 -0.06 0.71 0.11 0.11 -0.24 120.40 119.71 3hsh s VAL 35 Ca 0.09 -0.89 -0.30 0.00 -2.93 0.00 0.00 61.98 57.96 3hsh s VAL 35 Cb 0.07 -1.98 -0.03 0.00 -1.53 0.00 0.00 36.38 32.92 3hsh s VAL 35 CO -0.08 0.56 1.12 -0.60 -3.33 0.00 0.00 175.10 172.77 3hsh s ARG 36 N 0.02 4.40 0.33 1.54 6.06 -0.11 0.20 118.95 131.39 3hsh s ARG 36 Ca -0.07 1.57 0.02 0.00 -2.50 0.00 0.00 55.73 54.75 3hsh s ARG 36 Cb -0.15 -3.53 -0.01 0.00 0.06 0.00 0.00 34.95 31.33 3hsh s ARG 36 CO 0.05 -0.36 0.07 1.33 -2.50 0.00 0.00 175.30 173.90 3hsh n VAL 37 N 4.48 0.00 -1.67 7.11 0.24 -0.22 0.02 118.33 128.29 3hsh n VAL 37 Ca 0.10 -1.80 -0.45 0.00 -2.04 0.00 0.00 64.34 60.15 3hsh n VAL 37 Cb 0.47 0.55 -0.04 0.00 -1.47 0.00 0.00 33.84 33.35 3hsh n VAL 37 CO 0.00 0.00 0.00 1.67 -2.14 0.00 0.00 176.83 176.36 3hsh n GLN 38 N -0.78 2.55 -2.45 7.34 7.27 -1.26 -2.45 117.38 127.59 3hsh n GLN 38 Ca -0.08 0.93 -0.20 0.00 0.07 0.00 0.00 57.00 57.72 3hsh n GLN 38 Cb 0.47 -2.82 -0.01 0.00 2.41 0.00 0.00 30.24 30.29 3hsh n GLN 38 CO 0.00 0.00 0.00 -1.71 0.07 0.00 0.00 177.06 175.42 3hsh n ASN 39 N 6.55 -5.75 0.00 1.69 5.15 -1.26 -4.82 115.26 116.82 3hsh n ASN 39 Ca 0.20 -0.02 0.00 0.00 -0.60 0.00 0.00 54.58 54.17 3hsh n ASN 39 Cb 0.35 -4.78 0.00 0.00 -0.53 0.00 0.00 39.78 34.82 3hsh n ASN 39 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 3hsh n GLY 40 N -1.03 -0.51 3.31 8.20 0.00 -1.03 -5.16 105.19 108.97 3hsh n GLY 40 Ca -0.23 -0.95 -0.12 0.00 0.00 0.00 0.00 46.02 44.72 3hsh n GLY 40 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 3hsh s PHE 41 N -3.09 -0.24 -0.12 1.61 -0.71 -1.26 -1.06 117.98 113.12 3hsh s PHE 41 Ca 0.00 0.16 0.03 0.00 -1.04 0.00 0.00 56.93 56.09 3hsh s PHE 41 Cb 0.00 0.21 0.00 0.00 -1.21 0.00 0.00 43.02 42.02 3hsh s PHE 41 CO 0.00 -0.57 -0.23 1.03 -1.34 0.00 0.00 175.22 174.11 3hsh s ARG 42 N -2.59 3.06 0.19 1.99 0.52 0.13 -4.90 118.95 117.34 3hsh s ARG 42 Ca -0.05 -0.86 -0.30 0.00 -0.52 0.00 0.00 55.73 54.00 3hsh s ARG 42 Cb -0.01 -2.37 -0.09 0.00 0.52 0.00 0.00 34.95 33.01 3hsh s ARG 42 CO -0.03 0.11 1.34 0.21 0.02 0.00 0.00 175.30 176.95 3hsh s LYS 43 N 0.52 4.36 -0.02 3.54 2.20 -1.26 0.07 119.74 129.15 3hsh s LYS 43 Ca -0.14 2.09 -0.27 0.00 -0.36 0.00 0.00 55.97 57.29 3hsh s LYS 43 Cb -0.17 -3.19 -0.04 0.00 -1.51 0.00 0.00 37.83 32.92 3hsh s LYS 43 CO 0.05 -0.31 0.84 0.08 -0.36 0.00 0.00 175.35 175.65 3hsh s VAL 44 N 0.26 4.91 -0.16 4.02 1.01 0.32 -4.90 120.40 125.88 3hsh s VAL 44 Ca 0.58 1.76 -0.29 0.00 0.00 0.00 0.00 61.98 64.03 3hsh s VAL 44 Cb -0.37 -4.18 -0.03 0.00 0.00 0.00 0.00 36.38 31.79 3hsh s VAL 44 CO 0.37 0.23 1.53 -1.10 0.00 0.00 0.00 175.10 176.13 3hsh s GLN 45 N 0.77 4.03 0.13 2.72 -0.21 -1.26 -4.68 119.66 121.16 3hsh s GLN 45 Ca 0.44 1.81 0.07 0.00 0.02 0.00 0.00 55.36 57.71 3hsh s GLN 45 Cb -0.20 -3.95 -0.04 0.00 1.00 0.00 0.00 33.01 29.83 3hsh s GLN 45 CO 0.23 -1.00 -0.06 -0.51 -2.12 0.00 0.00 175.29 171.83 3hsh s LEU 46 N 4.37 3.14 0.70 2.90 1.43 -1.26 -5.14 118.68 124.82 3hsh s LEU 46 Ca 0.67 -0.40 -0.01 0.00 -1.03 0.00 0.00 54.13 53.36 3hsh s LEU 46 Cb -0.26 -1.88 0.11 0.00 0.03 0.00 0.00 46.19 44.19 3hsh s LEU 46 CO 0.25 0.14 0.97 -1.61 0.23 0.00 0.00 176.35 176.34 3hsh s GLU 47 N -2.50 1.81 0.59 1.70 2.02 -1.26 -5.05 118.70 116.01 3hsh s GLU 47 Ca 0.24 -0.98 -0.19 0.00 0.02 0.00 0.00 54.97 54.06 3hsh s GLU 47 Cb -0.10 -2.33 -0.04 0.00 0.10 0.00 0.00 34.13 31.76 3hsh s GLU 47 CO 0.16 -1.35 1.21 0.00 0.02 0.00 0.00 175.26 175.29 3hsh s ALA 48 N -3.11 2.56 0.14 5.21 0.00 -1.26 -4.89 121.76 120.40 3hsh s ALA 48 Ca 0.65 1.01 -0.31 0.00 0.00 0.00 0.00 51.96 53.30 3hsh s ALA 48 Cb -0.06 -3.45 -0.11 0.00 0.00 0.00 0.00 23.12 19.50 3hsh s ALA 48 CO 0.44 -1.14 1.83 -2.13 0.00 0.00 0.00 175.76 174.76 3hsh n ARG 49 N -1.56 2.82 -3.13 0.00 0.63 -1.26 -4.97 116.66 109.19 3hsh n ARG 49 Ca 0.13 1.03 -0.39 0.00 -0.92 0.00 0.00 57.85 57.70 3hsh n ARG 49 Cb 0.50 -2.92 -0.05 0.00 0.45 0.00 0.00 32.46 30.43 3hsh n ARG 49 CO 0.00 0.00 0.00 0.99 -2.51 0.00 0.00 177.63 176.11 3hsh s THR 50 N 2.50 5.07 0.70 5.15 2.01 -1.26 -5.06 115.64 124.74 3hsh s THR 50 Ca 0.81 1.25 -0.16 0.00 0.31 0.00 0.00 61.69 63.89 3hsh s THR 50 Cb -0.48 -3.96 0.02 0.00 0.01 0.00 0.00 72.50 68.10 3hsh s THR 50 CO 0.36 0.22 1.27 -0.81 -0.69 0.00 0.00 174.62 174.97 3hsh n PRO 51 N 4.18 0.81 -2.00 4.92 -0.04 -1.26 -4.98 135.00 136.63 3hsh n PRO 51 Ca -0.03 0.34 -0.35 0.00 -0.04 0.00 0.00 63.50 63.42 3hsh n PRO 51 Cb 0.51 -2.50 0.03 0.00 -0.04 0.00 0.00 33.50 31.50 3hsh n PRO 51 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 3hsh s LEU 52 N -4.78 3.64 0.10 1.53 1.43 -1.26 -4.91 118.68 114.42 3hsh s LEU 52 Ca 0.80 2.32 -0.36 0.00 -1.03 0.00 0.00 54.13 55.86 3hsh s LEU 52 Cb -0.35 -4.59 -0.16 0.00 0.03 0.00 0.00 46.19 41.11 3hsh s LEU 52 CO 0.44 -1.58 1.38 -2.65 0.23 0.00 0.00 176.35 174.17 3hsh n PRO 53 N -1.67 1.32 0.00 1.29 -0.02 -1.26 -5.34 135.00 129.32 3hsh n PRO 53 Ca 0.13 0.47 0.00 0.00 -2.02 0.00 0.00 63.50 62.08 3hsh n PRO 53 Cb 0.50 -2.14 0.00 0.00 -0.02 0.00 0.00 33.50 31.84 3hsh n PRO 53 CO 0.00 0.00 0.00 2.89 1.98 0.00 0.00 175.50 180.37