#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 2.41 0.00 1.61 0.01 -1.26 -5.14 113.70 111.33 3hsh s SER 0 Ca 0.00 -1.03 0.00 0.00 1.31 0.00 0.00 55.95 56.23 3hsh s SER 0 Cb 0.00 -0.11 0.00 0.00 0.21 0.00 0.00 66.02 66.12 3hsh s SER 0 CO 0.00 -0.22 0.00 -1.54 0.41 0.00 0.00 173.24 171.89 3hsh n SER 1 N -0.35 0.00 0.00 2.44 3.41 -1.26 -5.09 113.62 112.76 3hsh n SER 1 Ca -0.08 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.53 3hsh n SER 1 Cb 0.61 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.56 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 3.85 -0.57 3.04 5.00 0.00 -1.26 -5.06 105.19 110.18 3hsh n GLY 2 Ca 0.00 -0.75 -0.24 0.00 0.00 0.00 0.00 46.02 45.02 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 -3.43 1.13 0.20 1.61 1.01 -1.26 -0.87 120.40 118.79 3hsh s VAL 3 Ca 0.00 -0.50 0.10 0.00 0.00 0.00 0.00 61.98 61.58 3hsh s VAL 3 Cb 0.00 -1.02 -0.04 0.00 0.00 0.00 0.00 36.38 35.32 3hsh s VAL 3 CO 0.00 0.35 -0.13 -0.13 0.00 0.00 0.00 175.10 175.18 3hsh s ARG 4 N 0.49 1.91 0.11 2.72 1.81 0.44 -4.97 118.95 121.46 3hsh s ARG 4 Ca -0.11 -1.40 0.04 0.00 -1.72 0.00 0.00 55.73 52.54 3hsh s ARG 4 Cb -0.14 -2.04 -0.04 0.00 -0.45 0.00 0.00 34.95 32.28 3hsh s ARG 4 CO 0.03 0.41 -0.11 -0.51 -0.68 0.00 0.00 175.30 174.44 3hsh s LEU 5 N -2.94 2.41 0.05 2.53 1.43 -1.26 -1.09 118.68 119.81 3hsh s LEU 5 Ca 0.25 -0.82 -0.08 0.00 -1.03 0.00 0.00 54.13 52.44 3hsh s LEU 5 Cb -0.08 -0.38 -0.00 0.00 0.03 0.00 0.00 46.19 45.76 3hsh s LEU 5 CO 0.14 -0.23 0.17 0.26 0.23 0.00 0.00 176.35 176.92 3hsh s TRP 6 N -2.40 0.12 0.19 0.29 0.51 -0.79 -4.96 118.94 111.90 3hsh s TRP 6 Ca 0.07 -0.42 -0.02 0.00 -2.12 0.00 0.00 56.10 53.61 3hsh s TRP 6 Cb -0.03 -0.07 0.11 0.00 -0.81 0.00 0.00 33.47 32.67 3hsh s TRP 6 CO 0.01 -0.45 1.49 0.00 -0.51 0.00 0.00 176.95 177.50 3hsh h ALA 7 N 3.29 0.69 -2.27 0.98 0.00 -1.96 -1.27 119.26 118.73 3hsh h ALA 7 Ca -0.33 -0.53 -0.12 0.00 0.00 0.00 0.00 54.91 53.93 3hsh h ALA 7 Cb 1.19 -0.08 -0.15 0.00 0.00 0.00 0.00 17.79 18.75 3hsh h ALA 7 CO 0.51 0.70 -0.66 0.95 0.00 0.00 0.00 179.25 180.76 3hsh s THR 8 N -3.90 0.21 0.16 0.00 -4.23 -1.26 -1.20 115.64 105.43 3hsh s THR 8 Ca -0.07 -1.76 -0.16 0.00 -1.18 0.00 0.00 61.69 58.52 3hsh s THR 8 Cb 0.11 -1.49 0.06 0.00 1.34 0.00 0.00 72.50 72.52 3hsh s THR 8 CO 0.84 -0.97 1.71 -0.09 -0.54 0.00 0.00 174.62 175.56 3hsh h ARG 9 N 3.14 0.13 -0.57 3.99 2.43 -1.92 -2.22 114.38 119.36 3hsh h ARG 9 Ca -0.34 -0.01 -0.01 0.00 -0.81 0.00 0.00 59.98 58.81 3hsh h ARG 9 Cb 1.14 -0.03 -0.03 0.00 -0.42 0.00 0.00 29.97 30.64 3hsh h ARG 9 CO 0.65 0.08 0.32 0.37 -1.51 0.00 0.00 179.97 179.89 3hsh h GLN 10 N 0.13 0.78 -0.65 0.20 5.75 -1.99 -0.43 115.11 118.90 3hsh h GLN 10 Ca 0.19 -0.08 -0.03 0.00 -0.15 0.00 0.00 58.65 58.57 3hsh h GLN 10 Cb 0.25 -0.16 -0.03 0.00 1.07 0.00 0.00 27.48 28.62 3hsh h GLN 10 CO -0.29 0.59 0.28 0.00 -2.65 0.00 0.00 178.83 176.76 3hsh h ALA 11 N 1.15 0.85 -0.26 3.38 0.00 -1.95 -1.94 119.26 120.49 3hsh h ALA 11 Ca 0.20 -0.16 0.03 0.00 0.00 0.00 0.00 54.91 54.98 3hsh h ALA 11 Cb 0.02 -0.26 -0.03 0.00 0.00 0.00 0.00 17.79 17.52 3hsh h ALA 11 CO -0.03 0.44 0.08 1.98 0.00 0.00 0.00 179.25 181.72 3hsh h MET 12 N 0.92 0.19 -0.22 0.00 1.85 -0.92 -3.03 114.93 113.72 3hsh h MET 12 Ca 0.22 -0.01 -0.04 0.00 -0.61 0.00 0.00 59.70 59.26 3hsh h MET 12 Cb 0.17 -0.04 -0.01 0.00 0.43 0.00 0.00 31.60 32.14 3hsh h MET 12 CO -0.02 0.13 -0.03 -0.07 -0.40 0.00 0.00 176.91 176.51 3hsh h LEU 13 N 0.19 0.31 -1.79 3.39 3.38 -0.60 0.37 115.31 120.55 3hsh h LEU 13 Ca 0.12 -0.05 -0.01 0.00 0.09 0.00 0.00 57.88 58.03 3hsh h LEU 13 Cb 0.10 -0.08 -0.00 0.00 0.09 0.00 0.00 40.66 40.76 3hsh h LEU 13 CO -0.13 0.39 -0.04 1.23 0.09 0.00 0.00 178.44 179.98 3hsh h GLY 14 N 0.68 0.00 0.00 0.83 0.00 -1.24 -3.23 103.07 100.11 3hsh h GLY 14 Ca 0.07 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.40 3hsh h GLY 14 CO 0.01 0.00 0.00 -1.06 0.00 0.00 0.00 176.54 175.49 3hsh n GLN 15 N -3.21 -0.86 0.21 4.80 6.02 -0.54 -4.77 117.38 119.04 3hsh n GLN 15 Ca -0.01 -0.48 0.05 0.00 -0.01 0.00 0.00 57.00 56.56 3hsh n GLN 15 Cb 0.26 -0.98 0.47 0.00 1.02 0.00 0.00 30.24 31.02 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 0.04 1.15 -0.83 5.09 3.04 -0.99 -1.59 116.25 122.16 3hsh h VAL 16 Ca 0.00 -0.73 0.14 0.00 -1.01 0.00 0.00 66.70 65.11 3hsh h VAL 16 Cb 0.02 1.37 -0.06 0.00 -2.01 0.00 0.00 31.29 30.61 3hsh h VAL 16 CO 0.00 0.21 0.54 0.45 -1.01 0.00 0.00 177.57 177.76 3hsh h HIS 17 N 0.02 0.66 0.00 3.17 3.86 -1.86 -1.13 115.15 119.87 3hsh h HIS 17 Ca 0.00 0.02 0.00 0.00 -1.16 0.00 0.00 60.37 59.23 3hsh h HIS 17 Cb 0.37 -0.21 0.00 0.00 1.06 0.00 0.00 27.41 28.63 3hsh h HIS 17 CO 0.00 0.25 0.00 0.39 0.86 0.00 0.00 177.93 179.43 3hsh n GLU 18 N -4.52 0.19 -2.61 2.45 1.02 -0.60 -4.79 120.64 111.78 3hsh n GLU 18 Ca 0.16 0.27 -0.42 0.00 -0.02 0.00 0.00 57.16 57.15 3hsh n GLU 18 Cb 0.49 -1.77 -0.03 0.00 -0.02 0.00 0.00 31.44 30.11 3hsh n GLU 18 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 3hsh s VAL 19 N -3.16 4.52 0.66 2.62 1.01 -0.43 -5.03 120.40 120.59 3hsh s VAL 19 Ca 0.08 1.85 -0.14 0.00 0.00 0.00 0.00 61.98 63.77 3hsh s VAL 19 Cb 0.12 -4.18 -0.00 0.00 0.00 0.00 0.00 36.38 32.31 3hsh s VAL 19 CO 0.49 0.16 1.09 -2.84 0.00 0.00 0.00 175.10 174.00 3hsh s PRO 20 N 0.87 2.87 0.46 2.72 0.02 -1.26 -4.99 135.00 135.70 3hsh s PRO 20 Ca 0.54 1.27 -0.25 0.00 0.02 0.00 0.00 61.00 62.58 3hsh s PRO 20 Cb -0.24 -1.97 -0.08 0.00 0.02 0.00 0.00 34.50 32.23 3hsh s PRO 20 CO 0.29 -1.18 1.37 0.39 -0.33 0.00 0.00 177.00 177.54 3hsh n GLU 21 N -2.54 2.04 0.00 5.54 1.02 -1.26 -2.81 120.64 122.64 3hsh n GLU 21 Ca 0.09 0.73 0.00 0.00 -0.02 0.00 0.00 57.16 57.97 3hsh n GLU 21 Cb 0.52 -2.55 0.00 0.00 -0.02 0.00 0.00 31.44 29.40 3hsh n GLU 21 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3hsh n GLY 22 N 0.68 2.08 3.75 0.62 0.00 0.22 -4.99 105.19 107.56 3hsh n GLY 22 Ca 0.07 0.00 -0.40 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 -2.38 3.77 0.17 1.61 0.52 -1.12 -4.59 118.94 116.92 3hsh s TRP 23 Ca 0.00 1.79 -0.16 0.00 0.02 0.00 0.00 56.10 57.75 3hsh s TRP 23 Cb 0.00 -3.14 -0.07 0.00 -1.15 0.00 0.00 33.47 29.10 3hsh s TRP 23 CO 0.00 -0.08 0.61 -0.51 0.02 0.00 0.00 176.95 176.98 3hsh s LEU 24 N -1.21 4.33 -0.13 2.99 1.02 -0.05 -0.34 118.68 125.30 3hsh s LEU 24 Ca 0.43 1.18 0.01 0.00 0.02 0.00 0.00 54.13 55.78 3hsh s LEU 24 Cb -0.29 -3.38 0.02 0.00 0.02 0.00 0.00 46.19 42.56 3hsh s LEU 24 CO 0.36 0.08 -0.15 -0.63 0.02 0.00 0.00 176.35 176.03 3hsh s ILE 25 N -1.49 1.56 0.01 -0.59 1.01 0.11 -0.42 121.20 121.39 3hsh s ILE 25 Ca 0.40 -0.66 0.09 0.00 0.00 0.00 0.00 60.65 60.47 3hsh s ILE 25 Cb -0.15 -1.44 -0.02 0.00 0.01 0.00 0.00 42.46 40.85 3hsh s ILE 25 CO 0.20 0.46 -0.26 0.12 0.00 0.00 0.00 174.94 175.45 3hsh s PHE 26 N 1.18 2.33 -0.19 3.97 5.36 -0.25 -0.08 117.98 130.31 3hsh s PHE 26 Ca -0.02 -0.42 -0.00 0.00 -0.96 0.00 0.00 56.93 55.53 3hsh s PHE 26 Cb -0.14 -1.45 0.05 0.00 -0.34 0.00 0.00 43.02 41.13 3hsh s PHE 26 CO -0.05 0.04 -0.06 0.14 -1.46 0.00 0.00 175.22 173.83 3hsh s VAL 27 N -0.71 1.28 0.12 3.12 -7.23 -0.68 -1.88 120.40 114.43 3hsh s VAL 27 Ca 0.11 -0.82 -0.18 0.00 -1.81 0.00 0.00 61.98 59.28 3hsh s VAL 27 Cb -0.10 -1.47 -0.04 0.00 0.56 0.00 0.00 36.38 35.33 3hsh s VAL 27 CO 0.01 0.08 1.73 0.00 -0.31 0.00 0.00 175.10 176.61 3hsh h ALA 28 N 8.06 0.37 -0.07 1.32 0.00 -1.30 0.15 119.26 127.79 3hsh h ALA 28 Ca -0.24 -0.07 0.04 0.00 0.00 0.00 0.00 54.91 54.65 3hsh h ALA 28 Cb 1.10 -0.12 -0.05 0.00 0.00 0.00 0.00 17.79 18.72 3hsh h ALA 28 CO 0.42 -0.10 -0.26 1.49 0.00 0.00 0.00 179.25 180.80 3hsh h GLU 29 N 0.36 -0.35 -0.00 0.00 4.57 -1.40 -2.48 114.58 115.27 3hsh h GLU 29 Ca 0.10 0.02 0.00 0.00 -1.18 0.00 0.00 59.36 58.31 3hsh h GLU 29 Cb 0.06 0.08 0.00 0.00 -0.16 0.00 0.00 28.75 28.73 3hsh h GLU 29 CO -0.02 -0.23 -0.31 1.04 -1.18 0.00 0.00 179.01 178.31 3hsh n GLN 30 N -5.38 0.24 -3.92 1.92 3.00 -1.14 -4.94 117.38 107.16 3hsh n GLN 30 Ca -0.04 -0.12 -0.29 0.00 -0.01 0.00 0.00 57.00 56.54 3hsh n GLN 30 Cb 0.29 -1.50 0.02 0.00 0.00 0.00 0.00 30.24 29.05 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 -5.05 -4.29 -1.09 1.02 0.49 -4.98 120.64 105.46 3hsh n GLU 31 Ca 0.08 0.57 -0.30 0.00 -0.02 0.00 0.00 57.16 57.49 3hsh n GLU 31 Cb 0.33 -5.34 -0.10 0.00 -0.02 0.00 0.00 31.44 26.31 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 -6.55 2.19 -0.05 3.49 2.02 -1.10 -4.96 118.70 113.74 3hsh s GLU 32 Ca 0.53 -0.97 0.04 0.00 0.02 0.00 0.00 54.97 54.58 3hsh s GLU 32 Cb -0.27 -2.33 -0.00 0.00 0.10 0.00 0.00 34.13 31.63 3hsh s GLU 32 CO 0.84 0.52 -0.18 -1.17 0.02 0.00 0.00 175.26 175.30 3hsh s LEU 33 N -2.03 1.92 0.18 1.80 2.96 -1.26 -1.68 118.68 120.56 3hsh s LEU 33 Ca 0.20 -0.37 0.01 0.00 -0.22 0.00 0.00 54.13 53.75 3hsh s LEU 33 Cb -0.11 -1.01 -0.05 0.00 0.50 0.00 0.00 46.19 45.52 3hsh s LEU 33 CO 0.12 0.15 0.03 -0.31 -1.32 0.00 0.00 176.35 175.02 3hsh s TYR 34 N 0.09 1.22 -0.11 5.38 2.02 0.88 0.12 117.35 126.95 3hsh s TYR 34 Ca -0.05 -1.09 0.03 0.00 -0.37 0.00 0.00 57.07 55.59 3hsh s TYR 34 Cb -0.12 -0.70 0.01 0.00 -0.40 0.00 0.00 41.96 40.74 3hsh s TYR 34 CO 0.03 -0.29 -0.22 0.54 -1.57 0.00 0.00 175.55 174.04 3hsh s VAL 35 N -3.74 1.99 -0.03 0.71 0.11 0.52 0.07 120.40 120.04 3hsh s VAL 35 Ca 0.27 -0.96 -0.30 0.00 -2.93 0.00 0.00 61.98 58.06 3hsh s VAL 35 Cb 0.07 -1.74 -0.05 0.00 -1.53 0.00 0.00 36.38 33.12 3hsh s VAL 35 CO 0.06 0.54 1.50 -0.60 -3.33 0.00 0.00 175.10 173.27 3hsh s ARG 36 N 0.56 4.23 0.42 1.54 6.06 0.54 -1.21 118.95 131.10 3hsh s ARG 36 Ca -0.14 2.06 0.01 0.00 -2.50 0.00 0.00 55.73 55.16 3hsh s ARG 36 Cb -0.17 -3.73 -0.00 0.00 0.06 0.00 0.00 34.95 31.11 3hsh s ARG 36 CO 0.04 -0.70 0.03 1.33 -2.50 0.00 0.00 175.30 173.50 3hsh n VAL 37 N 5.01 0.00 -1.74 7.11 0.24 -0.27 -0.61 118.33 128.08 3hsh n VAL 37 Ca 0.15 -2.09 -0.42 0.00 -2.04 0.00 0.00 64.34 59.94 3hsh n VAL 37 Cb 0.43 0.49 -0.03 0.00 -1.47 0.00 0.00 33.84 33.26 3hsh n VAL 37 CO 0.00 0.00 0.00 -1.58 -2.14 0.00 0.00 176.83 173.11 3hsh s GLN 38 N -3.54 4.15 -1.89 7.34 0.74 -1.26 -2.55 119.66 122.65 3hsh s GLN 38 Ca 0.04 2.54 0.00 0.00 0.05 0.00 0.00 55.36 57.99 3hsh s GLN 38 Cb 0.00 -3.83 0.00 0.00 1.10 0.00 0.00 33.01 30.29 3hsh s GLN 38 CO 0.03 -0.87 0.00 -1.71 -0.55 0.00 0.00 175.29 172.19 3hsh n ASN 39 N 6.44 -5.37 0.00 6.67 5.15 -1.26 -4.81 115.26 122.08 3hsh n ASN 39 Ca 0.18 0.30 0.00 0.00 -0.60 0.00 0.00 54.58 54.47 3hsh n ASN 39 Cb 0.40 -4.50 0.00 0.00 -0.53 0.00 0.00 39.78 35.14 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 -0.76 -0.59 3.38 8.20 0.00 -1.06 -5.16 105.19 109.21 3hsh n GLY 40 Ca -0.20 -0.68 -0.16 0.00 0.00 0.00 0.00 46.02 44.99 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 -3.67 -0.43 -0.12 1.61 -0.71 -1.26 -1.11 117.98 112.29 3hsh s PHE 41 Ca 0.00 0.74 -0.00 0.00 -1.04 0.00 0.00 56.93 56.63 3hsh s PHE 41 Cb 0.00 0.25 -0.02 0.00 -1.21 0.00 0.00 43.02 42.04 3hsh s PHE 41 CO 0.00 -0.49 -0.10 1.03 -1.34 0.00 0.00 175.22 174.32 3hsh s ARG 42 N -1.18 3.25 0.24 1.99 0.52 -0.35 -4.90 118.95 118.53 3hsh s ARG 42 Ca -0.12 -0.63 -0.30 0.00 -0.52 0.00 0.00 55.73 54.17 3hsh s ARG 42 Cb -0.03 -2.66 -0.09 0.00 0.52 0.00 0.00 34.95 32.70 3hsh s ARG 42 CO 0.07 0.34 1.13 0.21 0.02 0.00 0.00 175.30 177.07 3hsh s LYS 43 N 0.05 4.58 0.03 3.54 2.20 -1.26 -0.35 119.74 128.53 3hsh s LYS 43 Ca -0.03 1.83 -0.24 0.00 -0.36 0.00 0.00 55.97 57.16 3hsh s LYS 43 Cb -0.14 -3.21 -0.05 0.00 -1.51 0.00 0.00 37.83 32.91 3hsh s LYS 43 CO 0.04 0.09 0.73 0.08 -0.36 0.00 0.00 175.35 175.94 3hsh s VAL 44 N -0.72 4.78 -0.18 4.02 1.01 0.12 -4.90 120.40 124.53 3hsh s VAL 44 Ca 0.48 1.55 -0.29 0.00 0.00 0.00 0.00 61.98 63.72 3hsh s VAL 44 Cb -0.32 -4.08 -0.01 0.00 0.00 0.00 0.00 36.38 31.97 3hsh s VAL 44 CO 0.39 0.37 1.28 -1.10 0.00 0.00 0.00 175.10 176.04 3hsh s GLN 45 N -0.03 4.18 0.35 2.72 -0.21 -1.26 -4.66 119.66 120.76 3hsh s GLN 45 Ca 0.37 1.62 0.08 0.00 0.02 0.00 0.00 55.36 57.46 3hsh s GLN 45 Cb -0.20 -3.79 -0.05 0.00 1.00 0.00 0.00 33.01 29.97 3hsh s GLN 45 CO 0.22 -0.77 0.10 -0.51 -2.12 0.00 0.00 175.29 172.20 3hsh s LEU 46 N 3.65 3.14 0.00 2.90 1.43 -1.26 -5.15 118.68 123.40 3hsh s LEU 46 Ca 0.56 -0.88 0.06 0.00 -1.03 0.00 0.00 54.13 52.83 3hsh s LEU 46 Cb -0.21 -1.56 0.06 0.00 0.03 0.00 0.00 46.19 44.51 3hsh s LEU 46 CO 0.16 -0.30 0.52 -0.62 0.23 0.00 0.00 176.35 176.35 3hsh n GLU 47 N -1.08 0.74 -2.05 1.70 1.02 -1.26 -5.08 120.64 114.63 3hsh n GLU 47 Ca -0.03 -2.60 -0.36 0.00 -0.02 0.00 0.00 57.16 54.14 3hsh n GLU 47 Cb 0.62 -0.01 0.02 0.00 -0.02 0.00 0.00 31.44 32.06 3hsh n GLU 47 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3hsh s ALA 48 N -2.59 2.68 0.13 0.62 0.00 -1.26 -4.90 121.76 116.45 3hsh s ALA 48 Ca 0.40 1.03 -0.31 0.00 0.00 0.00 0.00 51.96 53.07 3hsh s ALA 48 Cb -0.03 -3.45 -0.10 0.00 0.00 0.00 0.00 23.12 19.54 3hsh s ALA 48 CO 0.25 -1.06 1.69 0.50 0.00 0.00 0.00 175.76 177.15 3hsh s ARG 49 N -3.14 4.17 -0.10 0.00 3.52 -1.26 -4.99 118.95 117.15 3hsh s ARG 49 Ca 0.73 2.46 -0.17 0.00 -0.13 0.00 0.00 55.73 58.63 3hsh s ARG 49 Cb -0.31 -3.39 -0.05 0.00 -1.56 0.00 0.00 34.95 29.65 3hsh s ARG 49 CO 0.35 -0.74 0.43 0.99 -0.81 0.00 0.00 175.30 175.53 3hsh s THR 50 N 2.02 5.18 0.71 4.11 2.01 -1.26 -5.08 115.64 123.32 3hsh s THR 50 Ca 0.75 0.86 -0.13 0.00 0.31 0.00 0.00 61.69 63.48 3hsh s THR 50 Cb -0.44 -3.77 0.03 0.00 0.01 0.00 0.00 72.50 68.33 3hsh s THR 50 CO 0.33 0.38 1.11 -2.84 -0.69 0.00 0.00 174.62 172.91 3hsh s PRO 51 N 0.29 2.55 0.19 4.92 0.02 -1.26 -5.02 135.00 136.68 3hsh s PRO 51 Ca 0.24 1.31 -0.29 0.00 0.02 0.00 0.00 61.00 62.28 3hsh s PRO 51 Cb -0.15 -1.92 -0.08 0.00 0.02 0.00 0.00 34.50 32.37 3hsh s PRO 51 CO 0.10 -1.44 0.91 -0.51 -0.33 0.00 0.00 177.00 175.72 3hsh s LEU 52 N -5.31 4.59 0.00 -5.54 1.43 -1.26 -5.33 118.68 107.26 3hsh s LEU 52 Ca 0.65 1.83 0.00 0.00 -1.03 0.00 0.00 54.13 55.58 3hsh s LEU 52 Cb -0.19 -3.53 0.00 0.00 0.03 0.00 0.00 46.19 42.50 3hsh s LEU 52 CO 0.48 0.11 0.19 -2.65 0.23 0.00 0.00 176.35 174.70