#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 2.30 0.00 1.61 0.01 -1.26 -5.12 113.70 111.23 3hsh s SER 0 Ca 0.00 -0.61 0.00 0.00 1.31 0.00 0.00 55.95 56.65 3hsh s SER 0 Cb 0.00 -0.14 0.00 0.00 0.21 0.00 0.00 66.02 66.09 3hsh s SER 0 CO 0.00 0.06 0.00 -1.54 0.41 0.00 0.00 173.24 172.17 3hsh n SER 1 N 1.39 0.00 0.00 2.44 3.41 -1.26 -5.10 113.62 114.50 3hsh n SER 1 Ca -0.19 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.42 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 5.00 -0.47 2.97 5.00 0.00 -1.26 -5.07 105.19 111.36 3hsh n GLY 2 Ca 0.00 -1.04 -0.27 0.00 0.00 0.00 0.00 46.02 44.71 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 -3.26 1.16 0.08 1.61 1.01 -1.26 -1.11 120.40 118.63 3hsh s VAL 3 Ca 0.00 -0.42 0.02 0.00 0.00 0.00 0.00 61.98 61.58 3hsh s VAL 3 Cb 0.00 -1.12 -0.04 0.00 0.00 0.00 0.00 36.38 35.22 3hsh s VAL 3 CO 0.00 0.38 0.16 -0.13 0.00 0.00 0.00 175.10 175.51 3hsh s ARG 4 N 1.28 3.19 -0.00 2.72 1.81 0.67 -4.95 118.95 123.66 3hsh s ARG 4 Ca -0.02 -0.57 0.06 0.00 -1.72 0.00 0.00 55.73 53.47 3hsh s ARG 4 Cb -0.14 -2.89 -0.02 0.00 -0.45 0.00 0.00 34.95 31.46 3hsh s ARG 4 CO -0.04 0.58 -0.18 -0.51 -0.68 0.00 0.00 175.30 174.47 3hsh s LEU 5 N -2.52 2.06 0.14 2.53 1.43 -1.26 -0.72 118.68 120.33 3hsh s LEU 5 Ca 0.32 -0.36 0.06 0.00 -1.03 0.00 0.00 54.13 53.12 3hsh s LEU 5 Cb -0.12 -0.93 -0.04 0.00 0.03 0.00 0.00 46.19 45.13 3hsh s LEU 5 CO 0.25 0.21 -0.13 0.26 0.23 0.00 0.00 176.35 177.17 3hsh s TRP 6 N -0.50 1.38 0.13 0.29 0.51 -0.52 -4.97 118.94 115.27 3hsh s TRP 6 Ca 0.07 -0.62 0.04 0.00 -2.12 0.00 0.00 56.10 53.48 3hsh s TRP 6 Cb -0.07 -0.70 -0.13 0.00 -0.81 0.00 0.00 33.47 31.75 3hsh s TRP 6 CO -0.00 0.14 1.30 0.00 -0.51 0.00 0.00 176.95 177.89 3hsh h ALA 7 N 3.22 0.39 -2.43 0.98 0.00 -1.96 -1.66 119.26 117.80 3hsh h ALA 7 Ca -0.39 -0.84 -0.24 0.00 0.00 0.00 0.00 54.91 53.45 3hsh h ALA 7 Cb 1.20 -0.11 -0.15 0.00 0.00 0.00 0.00 17.79 18.73 3hsh h ALA 7 CO 0.55 1.09 -0.64 0.95 0.00 0.00 0.00 179.25 181.20 3hsh s THR 8 N -2.88 0.23 0.07 0.00 -4.23 -1.26 -1.38 115.64 106.18 3hsh s THR 8 Ca -0.01 -1.96 -0.18 0.00 -1.18 0.00 0.00 61.69 58.36 3hsh s THR 8 Cb 0.10 -2.24 -0.10 0.00 1.34 0.00 0.00 72.50 71.59 3hsh s THR 8 CO 0.83 -0.29 1.43 -0.09 -0.54 0.00 0.00 174.62 175.96 3hsh h ARG 9 N 2.72 0.47 -0.98 3.99 2.43 -1.96 -2.56 114.38 118.49 3hsh h ARG 9 Ca -0.36 -0.20 0.05 0.00 -0.81 0.00 0.00 59.98 58.66 3hsh h ARG 9 Cb 1.22 -0.01 -0.06 0.00 -0.42 0.00 0.00 29.97 30.69 3hsh h ARG 9 CO 0.58 0.74 0.64 1.96 -1.51 0.00 0.00 179.97 182.38 3hsh h GLN 10 N 0.18 1.15 -0.44 0.20 1.08 -1.98 0.42 115.11 115.72 3hsh h GLN 10 Ca 0.05 -0.07 -0.08 0.00 -1.45 0.00 0.00 58.65 57.11 3hsh h GLN 10 Cb 0.60 -0.26 -0.02 0.00 -0.05 0.00 0.00 27.48 27.75 3hsh h GLN 10 CO 0.03 0.76 -0.04 0.00 -0.95 0.00 0.00 178.83 178.63 3hsh h ALA 11 N 1.43 1.11 -0.07 3.87 0.00 -1.96 -1.51 119.26 122.13 3hsh h ALA 11 Ca 0.41 -0.27 -0.07 0.00 0.00 0.00 0.00 54.91 54.98 3hsh h ALA 11 Cb 0.11 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 17.72 3hsh h ALA 11 CO -0.16 0.56 -0.22 1.98 0.00 0.00 0.00 179.25 181.42 3hsh h MET 12 N 0.68 0.27 -0.45 0.00 1.85 -0.68 -3.16 114.93 113.45 3hsh h MET 12 Ca 0.13 -0.20 0.01 0.00 -0.61 0.00 0.00 59.70 59.03 3hsh h MET 12 Cb 0.48 0.03 -0.02 0.00 0.43 0.00 0.00 31.60 32.53 3hsh h MET 12 CO 0.02 0.82 0.30 -0.07 -0.40 0.00 0.00 176.91 177.59 3hsh h LEU 13 N -0.23 0.50 -2.19 3.39 3.38 -0.17 0.42 115.31 120.41 3hsh h LEU 13 Ca -0.01 -0.01 0.02 0.00 0.09 0.00 0.00 57.88 57.97 3hsh h LEU 13 Cb 0.85 -0.12 -0.00 0.00 0.09 0.00 0.00 40.66 41.47 3hsh h LEU 13 CO 0.05 0.36 0.07 1.23 0.09 0.00 0.00 178.44 180.23 3hsh h GLY 14 N 0.59 0.00 0.00 0.83 0.00 -1.24 -3.17 103.07 100.07 3hsh h GLY 14 Ca 0.17 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.50 3hsh h GLY 14 CO -0.04 0.00 0.00 -1.06 0.00 0.00 0.00 176.54 175.44 3hsh n GLN 15 N -4.18 -0.67 0.27 4.80 6.02 -0.41 -4.78 117.38 118.42 3hsh n GLN 15 Ca -0.01 -0.58 0.13 0.00 -0.01 0.00 0.00 57.00 56.53 3hsh n GLN 15 Cb 0.17 -1.00 0.75 0.00 1.02 0.00 0.00 30.24 31.19 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 0.00 0.56 -0.03 5.09 3.04 -0.95 -0.78 116.25 123.18 3hsh h VAL 16 Ca 0.00 -0.45 -0.02 0.00 -1.01 0.00 0.00 66.70 65.22 3hsh h VAL 16 Cb 0.04 1.29 -0.00 0.00 -2.01 0.00 0.00 31.29 30.61 3hsh h VAL 16 CO 0.00 0.10 -0.07 0.45 -1.01 0.00 0.00 177.57 177.04 3hsh h HIS 17 N 0.00 0.04 -0.01 3.17 3.86 -1.86 -2.33 115.15 118.03 3hsh h HIS 17 Ca -0.00 -0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.21 3hsh h HIS 17 Cb 0.28 -0.01 0.00 0.00 1.06 0.00 0.00 27.41 28.74 3hsh h HIS 17 CO 0.00 0.11 -0.05 0.39 0.86 0.00 0.00 177.93 179.25 3hsh n GLU 18 N -4.43 1.32 -3.27 2.45 4.71 -0.30 -4.81 120.64 116.30 3hsh n GLU 18 Ca -0.02 -0.64 -0.39 0.00 -0.01 0.00 0.00 57.16 56.10 3hsh n GLU 18 Cb 0.16 -1.49 -0.06 0.00 -1.01 0.00 0.00 31.44 29.04 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 -2.12 5.14 0.75 2.62 1.01 -0.88 -5.05 120.40 121.87 3hsh s VAL 19 Ca 0.37 0.96 -0.11 0.00 0.00 0.00 0.00 61.98 63.20 3hsh s VAL 19 Cb 0.21 -3.83 0.04 0.00 0.00 0.00 0.00 36.38 32.80 3hsh s VAL 19 CO 0.38 0.25 1.08 -2.84 0.00 0.00 0.00 175.10 173.97 3hsh s PRO 20 N 1.16 2.45 0.41 2.72 0.02 -1.26 -4.97 135.00 135.54 3hsh s PRO 20 Ca 0.25 0.81 -0.26 0.00 0.02 0.00 0.00 61.00 61.82 3hsh s PRO 20 Cb -0.15 -1.95 -0.09 0.00 0.02 0.00 0.00 34.50 32.33 3hsh s PRO 20 CO 0.10 -1.41 1.40 -1.21 -0.33 0.00 0.00 177.00 175.56 3hsh s GLU 21 N -5.09 3.91 0.00 5.54 2.02 -1.26 -2.84 118.70 120.98 3hsh s GLU 21 Ca 0.60 2.38 0.00 0.00 0.02 0.00 0.00 54.97 57.96 3hsh s GLU 21 Cb -0.14 -2.79 0.00 0.00 0.10 0.00 0.00 34.13 31.30 3hsh s GLU 21 CO 0.55 -0.62 0.00 0.41 0.02 0.00 0.00 175.26 175.61 3hsh n GLY 22 N 0.59 0.86 3.79 -1.39 0.00 0.10 -4.99 105.19 104.15 3hsh n GLY 22 Ca 0.03 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.67 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 -3.31 3.82 0.37 1.61 0.52 -1.13 -4.55 118.94 116.28 3hsh s TRP 23 Ca 0.00 1.55 -0.18 0.00 0.02 0.00 0.00 56.10 57.49 3hsh s TRP 23 Cb 0.00 -2.71 -0.10 0.00 -1.15 0.00 0.00 33.47 29.51 3hsh s TRP 23 CO 0.00 0.46 0.84 -0.51 0.02 0.00 0.00 176.95 177.76 3hsh s LEU 24 N -1.40 4.02 -0.11 2.99 1.02 -0.26 -0.70 118.68 124.23 3hsh s LEU 24 Ca 0.38 1.49 -0.00 0.00 0.02 0.00 0.00 54.13 56.01 3hsh s LEU 24 Cb -0.21 -4.29 0.02 0.00 0.02 0.00 0.00 46.19 41.74 3hsh s LEU 24 CO 0.24 -0.27 -0.07 -0.63 0.02 0.00 0.00 176.35 175.64 3hsh s ILE 25 N -2.06 1.01 -0.12 -0.59 1.01 0.04 -0.24 121.20 120.25 3hsh s ILE 25 Ca 0.58 -0.28 0.01 0.00 0.00 0.00 0.00 60.65 60.95 3hsh s ILE 25 Cb -0.10 -1.03 -0.01 0.00 0.01 0.00 0.00 42.46 41.33 3hsh s ILE 25 CO 0.16 0.36 -0.14 0.12 0.00 0.00 0.00 174.94 175.44 3hsh s PHE 26 N 1.69 2.78 -0.26 3.97 5.36 0.10 -0.84 117.98 130.78 3hsh s PHE 26 Ca 0.05 -0.65 -0.06 0.00 -0.96 0.00 0.00 56.93 55.31 3hsh s PHE 26 Cb -0.13 -1.81 -0.00 0.00 -0.34 0.00 0.00 43.02 40.74 3hsh s PHE 26 CO -0.08 -0.20 0.03 0.08 -1.46 0.00 0.00 175.22 173.59 3hsh s VAL 27 N 0.27 3.78 0.16 3.12 1.01 0.05 -1.43 120.40 127.35 3hsh s VAL 27 Ca -0.10 -0.56 -0.07 0.00 0.00 0.00 0.00 61.98 61.24 3hsh s VAL 27 Cb -0.16 -2.85 -0.07 0.00 0.00 0.00 0.00 36.38 33.31 3hsh s VAL 27 CO 0.06 0.24 1.46 0.00 0.00 0.00 0.00 175.10 176.86 3hsh h ALA 28 N 8.18 0.59 -0.23 5.51 0.00 -1.39 0.10 119.26 132.02 3hsh h ALA 28 Ca -0.36 -0.50 -0.01 0.00 0.00 0.00 0.00 54.91 54.04 3hsh h ALA 28 Cb 1.14 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.84 3hsh h ALA 28 CO 0.60 0.68 0.09 1.49 0.00 0.00 0.00 179.25 182.11 3hsh h GLU 29 N 0.57 0.34 -0.19 0.00 4.81 -1.48 -3.01 114.58 115.62 3hsh h GLU 29 Ca 0.02 -0.06 0.00 0.00 -0.13 0.00 0.00 59.36 59.19 3hsh h GLU 29 Cb 1.10 -0.06 0.00 0.00 0.63 0.00 0.00 28.75 30.42 3hsh h GLU 29 CO 0.11 0.39 0.00 1.04 -0.73 0.00 0.00 179.01 179.82 3hsh n GLN 30 N -4.81 2.33 -3.89 1.92 3.00 -1.24 -4.96 117.38 109.73 3hsh n GLN 30 Ca -0.03 -1.97 -0.29 0.00 -0.01 0.00 0.00 57.00 54.70 3hsh n GLN 30 Cb 0.12 -1.48 0.02 0.00 0.00 0.00 0.00 30.24 28.91 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 1.28 -5.35 -4.17 -1.09 1.02 -0.03 -4.96 120.64 107.33 3hsh n GLU 31 Ca 0.17 0.59 -0.31 0.00 -0.02 0.00 0.00 57.16 57.59 3hsh n GLU 31 Cb 0.57 -5.42 -0.08 0.00 -0.02 0.00 0.00 31.44 26.49 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 -6.54 2.62 -0.04 3.49 2.02 -0.86 -4.95 118.70 114.44 3hsh s GLU 32 Ca 0.56 -0.78 0.05 0.00 0.02 0.00 0.00 54.97 54.82 3hsh s GLU 32 Cb -0.28 -2.58 -0.01 0.00 0.10 0.00 0.00 34.13 31.37 3hsh s GLU 32 CO 0.83 0.56 -0.21 -1.17 0.02 0.00 0.00 175.26 175.29 3hsh s LEU 33 N -2.12 2.00 0.19 1.80 2.96 -1.26 -0.77 118.68 121.47 3hsh s LEU 33 Ca 0.24 -0.42 0.01 0.00 -0.22 0.00 0.00 54.13 53.75 3hsh s LEU 33 Cb -0.12 -1.14 -0.05 0.00 0.50 0.00 0.00 46.19 45.39 3hsh s LEU 33 CO 0.16 0.21 0.03 -0.31 -1.32 0.00 0.00 176.35 175.12 3hsh s TYR 34 N -0.14 1.27 -0.07 5.38 2.02 -0.02 0.16 117.35 125.94 3hsh s TYR 34 Ca -0.01 -1.08 0.05 0.00 -0.37 0.00 0.00 57.07 55.66 3hsh s TYR 34 Cb -0.12 -0.73 -0.01 0.00 -0.40 0.00 0.00 41.96 40.71 3hsh s TYR 34 CO 0.02 -0.27 -0.23 0.54 -1.57 0.00 0.00 175.55 174.05 3hsh s VAL 35 N -3.71 2.23 0.04 0.71 0.11 0.40 -0.78 120.40 119.41 3hsh s VAL 35 Ca 0.28 -0.99 -0.31 0.00 -2.93 0.00 0.00 61.98 58.03 3hsh s VAL 35 Cb 0.07 -1.84 -0.06 0.00 -1.53 0.00 0.00 36.38 33.02 3hsh s VAL 35 CO 0.06 0.57 1.27 -0.60 -3.33 0.00 0.00 175.10 173.07 3hsh s ARG 36 N -0.05 4.37 0.43 1.54 6.06 0.13 -0.82 118.95 130.61 3hsh s ARG 36 Ca -0.06 1.85 0.03 0.00 -2.50 0.00 0.00 55.73 55.05 3hsh s ARG 36 Cb -0.15 -3.40 -0.01 0.00 0.06 0.00 0.00 34.95 31.45 3hsh s ARG 36 CO 0.05 -0.38 0.10 1.33 -2.50 0.00 0.00 175.30 173.90 3hsh n VAL 37 N 4.17 0.00 -1.68 7.11 0.24 -0.48 0.02 118.33 127.71 3hsh n VAL 37 Ca 0.10 -2.34 -0.50 0.00 -2.04 0.00 0.00 64.34 59.56 3hsh n VAL 37 Cb 0.45 0.74 -0.05 0.00 -1.47 0.00 0.00 33.84 33.51 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 -0.99 1.90 -3.39 7.34 7.27 -1.26 -2.66 117.38 125.58 3hsh n GLN 38 Ca -0.10 0.69 -0.25 0.00 0.07 0.00 0.00 57.00 57.42 3hsh n GLN 38 Cb 0.61 -2.48 0.02 0.00 2.41 0.00 0.00 30.24 30.79 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 5.73 -4.76 0.00 1.69 5.15 -1.26 -4.81 115.26 117.00 3hsh n ASN 39 Ca 0.22 -0.45 0.00 0.00 -0.60 0.00 0.00 54.58 53.76 3hsh n ASN 39 Cb 0.25 -3.86 0.00 0.00 -0.53 0.00 0.00 39.78 35.64 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 -1.42 -0.65 3.24 8.20 0.00 -1.09 -5.15 105.19 108.33 3hsh n GLY 40 Ca -0.03 -1.07 -0.12 0.00 0.00 0.00 0.00 46.02 44.80 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 -3.00 -0.14 -0.13 1.61 -0.71 -1.26 -1.38 117.98 112.97 3hsh s PHE 41 Ca 0.00 0.11 0.01 0.00 -1.04 0.00 0.00 56.93 56.02 3hsh s PHE 41 Cb 0.00 0.09 -0.01 0.00 -1.21 0.00 0.00 43.02 41.90 3hsh s PHE 41 CO 0.00 -0.44 -0.17 1.03 -1.34 0.00 0.00 175.22 174.29 3hsh s ARG 42 N -1.93 3.22 0.25 1.99 0.52 0.00 -4.90 118.95 118.10 3hsh s ARG 42 Ca -0.09 -0.77 -0.30 0.00 -0.52 0.00 0.00 55.73 54.05 3hsh s ARG 42 Cb -0.03 -2.53 -0.09 0.00 0.52 0.00 0.00 34.95 32.81 3hsh s ARG 42 CO 0.01 0.13 1.30 0.21 0.02 0.00 0.00 175.30 176.96 3hsh s LYS 43 N 0.53 4.40 -0.13 3.54 2.20 -1.26 -0.45 119.74 128.56 3hsh s LYS 43 Ca -0.11 2.09 -0.21 0.00 -0.36 0.00 0.00 55.97 57.39 3hsh s LYS 43 Cb -0.16 -3.15 -0.03 0.00 -1.51 0.00 0.00 37.83 32.97 3hsh s LYS 43 CO 0.04 -0.20 0.59 0.08 -0.36 0.00 0.00 175.35 175.50 3hsh s VAL 44 N -0.36 5.09 -0.10 4.02 1.01 0.12 -4.89 120.40 125.29 3hsh s VAL 44 Ca 0.54 1.18 -0.30 0.00 0.00 0.00 0.00 61.98 63.40 3hsh s VAL 44 Cb -0.37 -3.93 -0.03 0.00 0.00 0.00 0.00 36.38 32.05 3hsh s VAL 44 CO 0.43 0.23 1.33 -1.10 0.00 0.00 0.00 175.10 176.00 3hsh s GLN 45 N 1.09 4.25 0.34 2.72 -0.21 -1.26 -4.60 119.66 121.99 3hsh s GLN 45 Ca 0.30 1.79 0.09 0.00 0.02 0.00 0.00 55.36 57.57 3hsh s GLN 45 Cb -0.16 -3.73 -0.06 0.00 1.00 0.00 0.00 33.01 30.06 3hsh s GLN 45 CO 0.13 -0.66 -0.02 -0.51 -2.12 0.00 0.00 175.29 172.11 3hsh s LEU 46 N 3.18 2.92 0.55 2.90 1.43 -1.26 -5.14 118.68 123.26 3hsh s LEU 46 Ca 0.59 -1.02 0.06 0.00 -1.03 0.00 0.00 54.13 52.72 3hsh s LEU 46 Cb -0.25 -1.28 0.04 0.00 0.03 0.00 0.00 46.19 44.73 3hsh s LEU 46 CO 0.20 -0.21 0.44 -1.61 0.23 0.00 0.00 176.35 175.40 3hsh s GLU 47 N -3.69 2.25 0.82 1.70 2.02 -1.26 -5.09 118.70 115.46 3hsh s GLU 47 Ca 0.34 -2.00 -0.12 0.00 0.02 0.00 0.00 54.97 53.21 3hsh s GLU 47 Cb 0.00 -2.14 0.09 0.00 0.10 0.00 0.00 34.13 32.18 3hsh s GLU 47 CO 0.19 -0.65 1.16 0.00 0.02 0.00 0.00 175.26 175.98 3hsh s ALA 48 N -2.77 1.85 0.16 5.21 0.00 -1.26 -4.90 121.76 120.04 3hsh s ALA 48 Ca 0.36 0.67 -0.31 0.00 0.00 0.00 0.00 51.96 52.68 3hsh s ALA 48 Cb -0.03 -3.44 -0.09 0.00 0.00 0.00 0.00 23.12 19.56 3hsh s ALA 48 CO 0.22 -2.26 1.50 0.50 0.00 0.00 0.00 175.76 175.72 3hsh s ARG 49 N -4.37 4.25 -0.12 0.00 3.52 -1.26 -5.01 118.95 115.96 3hsh s ARG 49 Ca 0.69 2.26 -0.15 0.00 -0.13 0.00 0.00 55.73 58.40 3hsh s ARG 49 Cb -0.25 -3.18 -0.05 0.00 -1.56 0.00 0.00 34.95 29.92 3hsh s ARG 49 CO 0.52 -0.53 0.37 0.99 -0.81 0.00 0.00 175.30 175.83 3hsh s THR 50 N 1.02 5.23 0.86 4.11 2.01 -1.26 -5.08 115.64 122.53 3hsh s THR 50 Ca 0.67 0.71 -0.11 0.00 0.31 0.00 0.00 61.69 63.28 3hsh s THR 50 Cb -0.41 -3.70 0.11 0.00 0.01 0.00 0.00 72.50 68.51 3hsh s THR 50 CO 0.32 0.41 1.10 -2.16 -0.69 0.00 0.00 174.62 173.59 3hsh s PRO 51 N 0.22 1.54 0.48 4.92 0.04 -1.26 -5.00 135.00 135.95 3hsh s PRO 51 Ca 0.21 1.05 -0.21 0.00 0.04 0.00 0.00 61.00 62.09 3hsh s PRO 51 Cb -0.14 -1.82 -0.08 0.00 0.04 0.00 0.00 34.50 32.49 3hsh s PRO 51 CO 0.07 -2.11 1.07 -0.51 0.04 0.00 0.00 177.00 175.57 3hsh s LEU 52 N -6.19 3.89 0.30 -3.56 1.43 -1.26 -4.98 118.68 108.31 3hsh s LEU 52 Ca 0.63 2.03 -0.28 0.00 -1.03 0.00 0.00 54.13 55.48 3hsh s LEU 52 Cb -0.18 -4.48 -0.14 0.00 0.03 0.00 0.00 46.19 41.42 3hsh s LEU 52 CO 0.57 -0.84 1.11 -0.81 0.23 0.00 0.00 176.35 176.61 3hsh n PRO 53 N -0.85 1.60 0.00 1.29 -0.04 -1.26 -5.34 135.00 130.39 3hsh n PRO 53 Ca 0.09 0.56 0.00 0.00 -0.04 0.00 0.00 63.50 64.12 3hsh n PRO 53 Cb 0.51 -2.01 0.02 0.00 -0.04 0.00 0.00 33.50 31.99 3hsh n PRO 53 CO 0.00 0.00 0.00 2.89 -0.04 0.00 0.00 175.50 178.35