#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 0.65 0.00 1.61 0.01 -1.26 -5.14 113.70 109.57 3hsh s SER 0 Ca 0.00 -0.36 0.00 0.00 1.31 0.00 0.00 55.95 56.90 3hsh s SER 0 Cb 0.00 0.01 0.00 0.00 0.21 0.00 0.00 66.02 66.24 3hsh s SER 0 CO 0.00 -0.12 0.00 -1.54 0.41 0.00 0.00 173.24 171.99 3hsh n SER 1 N 2.06 0.00 0.00 2.44 3.41 -1.26 -5.09 113.62 115.18 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 0.56 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.51 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 3.55 -0.52 2.93 5.00 0.00 -1.26 -5.06 105.19 109.82 3hsh n GLY 2 Ca 0.00 -0.87 -0.21 0.00 0.00 0.00 0.00 46.02 44.94 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 -3.44 0.66 0.08 1.61 1.01 -1.26 -1.31 120.40 117.75 3hsh s VAL 3 Ca 0.00 -0.21 0.07 0.00 0.00 0.00 0.00 61.98 61.85 3hsh s VAL 3 Cb 0.00 -0.65 -0.04 0.00 0.00 0.00 0.00 36.38 35.69 3hsh s VAL 3 CO 0.00 0.25 -0.16 -0.13 0.00 0.00 0.00 175.10 175.06 3hsh s ARG 4 N 0.79 2.01 0.06 2.72 1.81 -0.10 -4.97 118.95 121.27 3hsh s ARG 4 Ca -0.12 -1.04 0.03 0.00 -1.72 0.00 0.00 55.73 52.88 3hsh s ARG 4 Cb -0.14 -2.21 -0.03 0.00 -0.45 0.00 0.00 34.95 32.12 3hsh s ARG 4 CO 0.01 0.52 -0.10 -0.48 -0.68 0.00 0.00 175.30 174.57 3hsh s LEU 5 N -1.85 2.31 0.17 2.53 2.34 -1.26 -1.05 118.68 121.87 3hsh s LEU 5 Ca 0.17 -0.65 0.05 0.00 0.06 0.00 0.00 54.13 53.76 3hsh s LEU 5 Cb -0.11 -0.26 -0.05 0.00 -0.56 0.00 0.00 46.19 45.22 3hsh s LEU 5 CO 0.09 -0.21 -0.09 0.26 -1.06 0.00 0.00 176.35 175.34 3hsh s TRP 6 N -1.75 1.40 0.17 3.48 0.51 -0.43 -4.96 118.94 117.35 3hsh s TRP 6 Ca -0.03 -0.77 -0.08 0.00 -2.12 0.00 0.00 56.10 53.10 3hsh s TRP 6 Cb -0.07 -0.72 0.04 0.00 -0.81 0.00 0.00 33.47 31.90 3hsh s TRP 6 CO 0.00 0.10 1.51 0.00 -0.51 0.00 0.00 176.95 178.05 3hsh h ALA 7 N 2.68 0.66 -2.44 0.98 0.00 -1.95 -1.12 119.26 118.07 3hsh h ALA 7 Ca -0.37 -0.45 -0.18 0.00 0.00 0.00 0.00 54.91 53.91 3hsh h ALA 7 Cb 1.20 -0.12 -0.16 0.00 0.00 0.00 0.00 17.79 18.71 3hsh h ALA 7 CO 0.64 0.67 -0.69 0.95 0.00 0.00 0.00 179.25 180.81 3hsh s THR 8 N -4.36 0.39 0.41 0.00 -4.23 -1.26 -1.08 115.64 105.50 3hsh s THR 8 Ca -0.10 -1.65 0.16 0.00 -1.18 0.00 0.00 61.69 58.92 3hsh s THR 8 Cb 0.12 -1.30 0.17 0.00 1.34 0.00 0.00 72.50 72.82 3hsh s THR 8 CO 0.86 -0.83 1.94 -0.09 -0.54 0.00 0.00 174.62 175.97 3hsh h ARG 9 N 3.44 0.00 -0.41 3.99 2.43 -1.91 -2.24 114.38 119.68 3hsh h ARG 9 Ca -0.34 0.00 -0.01 0.00 -0.81 0.00 0.00 59.98 58.82 3hsh h ARG 9 Cb 1.16 0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 30.69 3hsh h ARG 9 CO 0.60 0.24 0.22 1.96 -1.51 0.00 0.00 179.97 181.47 3hsh h GLN 10 N 0.00 0.57 -0.31 0.20 7.50 -2.00 -0.28 115.11 120.80 3hsh h GLN 10 Ca -0.00 -0.07 -0.12 0.00 0.50 0.00 0.00 58.65 58.96 3hsh h GLN 10 Cb 0.45 -0.11 -0.01 0.00 0.05 0.00 0.00 27.48 27.86 3hsh h GLN 10 CO 0.03 0.47 -0.29 0.00 -1.50 0.00 0.00 178.83 177.54 3hsh h ALA 11 N 1.07 0.91 -0.35 3.87 0.00 -1.88 -2.96 119.26 119.92 3hsh h ALA 11 Ca 0.14 -0.39 -0.04 0.00 0.00 0.00 0.00 54.91 54.63 3hsh h ALA 11 Cb 0.07 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.71 3hsh h ALA 11 CO -0.02 0.62 0.07 1.98 0.00 0.00 0.00 179.25 181.90 3hsh h MET 12 N 0.56 0.57 0.00 0.00 -1.53 -0.95 -2.65 114.93 110.94 3hsh h MET 12 Ca 0.07 -0.14 -0.02 0.00 -3.44 0.00 0.00 59.70 56.16 3hsh h MET 12 Cb 0.78 -0.07 -0.00 0.00 -0.55 0.00 0.00 31.60 31.75 3hsh h MET 12 CO 0.06 0.63 -0.11 -0.07 0.14 0.00 0.00 176.91 177.57 3hsh h LEU 13 N 0.42 0.00 -1.73 3.39 3.38 -1.00 -0.91 115.31 118.86 3hsh h LEU 13 Ca 0.11 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 58.06 3hsh h LEU 13 Cb 0.32 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.07 3hsh h LEU 13 CO 0.00 0.11 -0.11 1.23 0.09 0.00 0.00 178.44 179.76 3hsh h GLY 14 N 0.39 0.00 -0.21 0.83 0.00 -1.30 -3.21 103.07 99.57 3hsh h GLY 14 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 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 -3.39 -0.56 0.23 4.80 6.02 -0.47 -4.79 117.38 119.23 3hsh n GLN 15 Ca -0.01 -0.68 0.09 0.00 -0.01 0.00 0.00 57.00 56.39 3hsh n GLN 15 Cb 0.28 -1.05 0.57 0.00 1.02 0.00 0.00 30.24 31.07 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 0.50 0.84 -0.40 5.09 3.04 -1.23 -1.17 116.25 122.91 3hsh h VAL 16 Ca 0.00 -0.78 0.05 0.00 -1.01 0.00 0.00 66.70 64.96 3hsh h VAL 16 Cb 0.12 1.46 -0.02 0.00 -2.01 0.00 0.00 31.29 30.84 3hsh h VAL 16 CO 0.00 0.20 0.27 0.45 -1.01 0.00 0.00 177.57 177.48 3hsh h HIS 17 N 0.00 0.34 -0.01 3.17 3.86 -1.87 -2.04 115.15 118.60 3hsh h HIS 17 Ca -0.00 0.01 0.00 0.00 -1.16 0.00 0.00 60.37 59.22 3hsh h HIS 17 Cb 0.45 -0.11 0.00 0.00 1.06 0.00 0.00 27.41 28.81 3hsh h HIS 17 CO 0.00 0.19 -0.10 0.39 0.86 0.00 0.00 177.93 179.27 3hsh n GLU 18 N -4.48 0.91 -3.07 2.45 1.02 -0.44 -4.79 120.64 112.24 3hsh n GLU 18 Ca 0.05 -0.36 -0.40 0.00 -0.02 0.00 0.00 57.16 56.43 3hsh n GLU 18 Cb 0.22 -1.49 -0.05 0.00 -0.02 0.00 0.00 31.44 30.10 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 -2.34 5.03 0.71 2.62 1.01 -0.77 -5.05 120.40 121.61 3hsh s VAL 19 Ca 0.32 1.36 -0.12 0.00 0.00 0.00 0.00 61.98 63.55 3hsh s VAL 19 Cb 0.20 -4.01 0.02 0.00 0.00 0.00 0.00 36.38 32.59 3hsh s VAL 19 CO 0.44 0.20 1.08 -2.84 0.00 0.00 0.00 175.10 173.98 3hsh s PRO 20 N 1.22 2.71 0.41 2.72 0.02 -1.26 -4.98 135.00 135.85 3hsh s PRO 20 Ca 0.34 1.10 -0.27 0.00 0.02 0.00 0.00 61.00 62.20 3hsh s PRO 20 Cb -0.17 -1.96 -0.09 0.00 0.02 0.00 0.00 34.50 32.30 3hsh s PRO 20 CO 0.15 -1.28 1.40 -1.21 -0.33 0.00 0.00 177.00 175.73 3hsh s GLU 21 N -4.81 3.93 0.00 5.54 2.02 -1.26 -2.70 118.70 121.42 3hsh s GLU 21 Ca 0.60 2.38 0.00 0.00 0.02 0.00 0.00 54.97 57.97 3hsh s GLU 21 Cb -0.16 -2.80 0.00 0.00 0.10 0.00 0.00 34.13 31.27 3hsh s GLU 21 CO 0.52 -0.60 0.00 0.41 0.02 0.00 0.00 175.26 175.61 3hsh n GLY 22 N 0.59 0.58 3.76 -1.39 0.00 0.14 -5.00 105.19 103.87 3hsh n GLY 22 Ca 0.03 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.65 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 -2.22 3.94 0.49 1.61 0.52 -1.10 -4.52 118.94 117.67 3hsh s TRP 23 Ca 0.00 1.77 -0.15 0.00 0.02 0.00 0.00 56.10 57.74 3hsh s TRP 23 Cb 0.00 -2.88 -0.07 0.00 -1.15 0.00 0.00 33.47 29.37 3hsh s TRP 23 CO 0.00 0.47 0.94 -0.51 0.02 0.00 0.00 176.95 177.87 3hsh s LEU 24 N -1.09 3.65 -0.05 2.99 1.02 -0.42 -0.81 118.68 123.98 3hsh s LEU 24 Ca 0.39 1.46 -0.00 0.00 0.02 0.00 0.00 54.13 55.99 3hsh s LEU 24 Cb -0.24 -4.39 0.03 0.00 0.02 0.00 0.00 46.19 41.61 3hsh s LEU 24 CO 0.29 -0.56 -0.01 -0.63 0.02 0.00 0.00 176.35 175.47 3hsh s ILE 25 N -2.59 0.30 -0.04 -0.59 1.01 0.47 -0.92 121.20 118.83 3hsh s ILE 25 Ca 0.57 0.07 0.06 0.00 0.00 0.00 0.00 60.65 61.34 3hsh s ILE 25 Cb -0.10 -0.41 -0.01 0.00 0.01 0.00 0.00 42.46 41.95 3hsh s ILE 25 CO 0.32 0.20 -0.22 0.12 0.00 0.00 0.00 174.94 175.36 3hsh s PHE 26 N 1.33 2.12 -0.22 3.97 5.36 -0.22 -0.39 117.98 129.94 3hsh s PHE 26 Ca -0.05 -0.58 -0.00 0.00 -0.96 0.00 0.00 56.93 55.34 3hsh s PHE 26 Cb -0.13 -1.40 0.02 0.00 -0.34 0.00 0.00 43.02 41.18 3hsh s PHE 26 CO -0.02 -0.16 -0.13 0.14 -1.46 0.00 0.00 175.22 173.59 3hsh s VAL 27 N -0.18 2.47 0.08 3.12 -7.23 -0.49 -1.32 120.40 116.86 3hsh s VAL 27 Ca -0.01 -1.00 -0.18 0.00 -1.81 0.00 0.00 61.98 58.97 3hsh s VAL 27 Cb -0.12 -2.17 -0.09 0.00 0.56 0.00 0.00 36.38 34.56 3hsh s VAL 27 CO 0.02 0.35 1.48 0.00 -0.31 0.00 0.00 175.10 176.65 3hsh h ALA 28 N 7.96 0.34 0.21 1.32 0.00 -1.17 -0.91 119.26 127.01 3hsh h ALA 28 Ca -0.38 -0.26 0.01 0.00 0.00 0.00 0.00 54.91 54.29 3hsh h ALA 28 Cb 1.12 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 18.79 3hsh h ALA 28 CO 0.59 0.13 -0.34 1.49 0.00 0.00 0.00 179.25 181.12 3hsh h GLU 29 N 0.22 -0.60 0.00 0.00 4.81 -1.37 -2.86 114.58 114.78 3hsh h GLU 29 Ca 0.06 0.04 0.00 0.00 -0.13 0.00 0.00 59.36 59.34 3hsh h GLU 29 Cb 0.50 0.14 0.00 0.00 0.63 0.00 0.00 28.75 30.02 3hsh h GLU 29 CO 0.02 -0.40 0.00 1.04 -0.73 0.00 0.00 179.01 178.94 3hsh n GLN 30 N -5.44 0.07 -3.72 1.92 3.00 -1.23 -4.93 117.38 107.05 3hsh n GLN 30 Ca -0.08 0.07 -0.25 0.00 -0.01 0.00 0.00 57.00 56.72 3hsh n GLN 30 Cb 0.35 -1.58 0.05 0.00 0.00 0.00 0.00 30.24 29.06 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 -1.70 -6.54 -4.42 -1.09 1.02 -0.36 -4.99 120.64 102.56 3hsh n GLU 31 Ca 0.06 0.72 -0.31 0.00 -0.02 0.00 0.00 57.16 57.61 3hsh n GLU 31 Cb 0.36 -5.65 -0.10 0.00 -0.02 0.00 0.00 31.44 26.02 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 -6.30 2.39 -0.05 3.49 2.02 -1.14 -4.98 118.70 114.13 3hsh s GLU 32 Ca 0.49 -0.83 0.05 0.00 0.02 0.00 0.00 54.97 54.70 3hsh s GLU 32 Cb -0.23 -2.42 -0.00 0.00 0.10 0.00 0.00 34.13 31.58 3hsh s GLU 32 CO 0.78 0.57 -0.19 -1.17 0.02 0.00 0.00 175.26 175.27 3hsh s LEU 33 N -1.64 1.95 0.19 1.80 2.96 -1.26 -1.39 118.68 121.29 3hsh s LEU 33 Ca 0.18 -0.40 0.02 0.00 -0.22 0.00 0.00 54.13 53.71 3hsh s LEU 33 Cb -0.11 -1.09 -0.05 0.00 0.50 0.00 0.00 46.19 45.45 3hsh s LEU 33 CO 0.09 0.17 0.02 -0.31 -1.32 0.00 0.00 176.35 175.01 3hsh s TYR 34 N 0.03 1.29 -0.07 5.38 2.02 0.48 0.19 117.35 126.67 3hsh s TYR 34 Ca -0.05 -1.06 0.05 0.00 -0.37 0.00 0.00 57.07 55.64 3hsh s TYR 34 Cb -0.13 -0.74 -0.01 0.00 -0.40 0.00 0.00 41.96 40.68 3hsh s TYR 34 CO 0.03 -0.24 -0.22 0.54 -1.57 0.00 0.00 175.55 174.09 3hsh s VAL 35 N -3.68 2.33 0.07 0.71 0.11 0.01 -0.40 120.40 119.56 3hsh s VAL 35 Ca 0.27 -0.96 -0.31 0.00 -2.93 0.00 0.00 61.98 58.06 3hsh s VAL 35 Cb 0.06 -1.88 -0.06 0.00 -1.53 0.00 0.00 36.38 32.97 3hsh s VAL 35 CO 0.06 0.57 1.25 -0.60 -3.33 0.00 0.00 175.10 173.04 3hsh s ARG 36 N -0.11 4.40 0.28 1.54 6.06 0.01 -1.05 118.95 130.08 3hsh s ARG 36 Ca -0.04 1.84 0.02 0.00 -2.50 0.00 0.00 55.73 55.05 3hsh s ARG 36 Cb -0.14 -3.33 -0.01 0.00 0.06 0.00 0.00 34.95 31.53 3hsh s ARG 36 CO 0.04 -0.31 0.07 1.33 -2.50 0.00 0.00 175.30 173.93 3hsh n VAL 37 N 3.96 0.00 -1.67 7.11 0.24 -0.37 -0.69 118.33 126.92 3hsh n VAL 37 Ca 0.10 -1.52 -0.44 0.00 -2.04 0.00 0.00 64.34 60.44 3hsh n VAL 37 Cb 0.45 0.49 -0.03 0.00 -1.47 0.00 0.00 33.84 33.28 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 -0.64 2.70 -2.93 7.34 7.27 -1.26 -2.84 117.38 127.02 3hsh n GLN 38 Ca -0.06 0.99 -0.22 0.00 0.07 0.00 0.00 57.00 57.78 3hsh n GLN 38 Cb 0.40 -2.91 0.03 0.00 2.41 0.00 0.00 30.24 30.16 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 7.11 -6.14 0.00 1.69 5.15 -1.26 -4.83 115.26 116.97 3hsh n ASN 39 Ca 0.20 -0.25 0.00 0.00 -0.60 0.00 0.00 54.58 53.93 3hsh n ASN 39 Cb 0.38 -4.98 0.00 0.00 -0.53 0.00 0.00 39.78 34.64 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 -1.46 -0.51 3.32 8.20 0.00 -1.13 -5.16 105.19 108.46 3hsh n GLY 40 Ca -0.13 -1.00 -0.14 0.00 0.00 0.00 0.00 46.02 44.74 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 -3.06 -0.30 -0.12 1.61 -0.71 -1.26 -1.23 117.98 112.89 3hsh s PHE 41 Ca 0.00 0.44 0.02 0.00 -1.04 0.00 0.00 56.93 56.35 3hsh s PHE 41 Cb 0.00 0.20 0.00 0.00 -1.21 0.00 0.00 43.02 42.01 3hsh s PHE 41 CO 0.00 -0.49 -0.21 1.03 -1.34 0.00 0.00 175.22 174.22 3hsh s ARG 42 N -1.62 3.11 0.35 1.99 0.52 -0.22 -4.91 118.95 118.18 3hsh s ARG 42 Ca -0.11 -0.83 -0.27 0.00 -0.52 0.00 0.00 55.73 54.00 3hsh s ARG 42 Cb -0.03 -2.44 -0.09 0.00 0.52 0.00 0.00 34.95 32.91 3hsh s ARG 42 CO 0.04 0.10 1.23 0.21 0.02 0.00 0.00 175.30 176.90 3hsh s LYS 43 N 0.56 4.27 -0.06 3.54 2.20 -1.26 -0.81 119.74 128.18 3hsh s LYS 43 Ca -0.12 2.02 -0.19 0.00 -0.36 0.00 0.00 55.97 57.32 3hsh s LYS 43 Cb -0.17 -2.94 -0.05 0.00 -1.51 0.00 0.00 37.83 33.17 3hsh s LYS 43 CO 0.04 -0.19 0.54 0.08 -0.36 0.00 0.00 175.35 175.46 3hsh s VAL 44 N -1.24 5.06 -0.15 4.02 1.01 0.13 -4.89 120.40 124.34 3hsh s VAL 44 Ca 0.51 1.11 -0.29 0.00 0.00 0.00 0.00 61.98 63.31 3hsh s VAL 44 Cb -0.35 -3.88 -0.03 0.00 0.00 0.00 0.00 36.38 32.12 3hsh s VAL 44 CO 0.46 0.37 1.49 -1.58 0.00 0.00 0.00 175.10 175.84 3hsh s GLN 45 N 0.21 4.07 0.21 2.72 2.00 -1.26 -4.62 119.66 123.00 3hsh s GLN 45 Ca 0.29 1.80 0.08 0.00 -2.00 0.00 0.00 55.36 55.53 3hsh s GLN 45 Cb -0.17 -3.92 -0.04 0.00 0.80 0.00 0.00 33.01 29.68 3hsh s GLN 45 CO 0.14 -0.94 0.01 -0.51 -0.50 0.00 0.00 175.29 173.49 3hsh s LEU 46 N 4.20 3.30 0.00 3.68 1.43 -1.26 -5.14 118.68 124.90 3hsh s LEU 46 Ca 0.65 -0.48 0.03 0.00 -1.03 0.00 0.00 54.13 53.31 3hsh s LEU 46 Cb -0.26 -1.90 0.09 0.00 0.03 0.00 0.00 46.19 44.16 3hsh s LEU 46 CO 0.24 0.05 0.70 -0.62 0.23 0.00 0.00 176.35 176.95 3hsh n GLU 47 N -0.47 0.34 -1.41 1.70 1.02 -1.26 -5.06 120.64 115.49 3hsh n GLU 47 Ca -0.08 -2.21 -0.36 0.00 -0.02 0.00 0.00 57.16 54.49 3hsh n GLU 47 Cb 0.57 -0.36 0.09 0.00 -0.02 0.00 0.00 31.44 31.71 3hsh n GLU 47 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3hsh n ALA 48 N -2.73 0.29 -2.00 0.62 0.00 -1.26 -4.93 120.51 110.51 3hsh n ALA 48 Ca -0.12 -0.16 -0.42 0.00 0.00 0.00 0.00 53.44 52.74 3hsh n ALA 48 Cb 0.45 -2.22 -0.03 0.00 0.00 0.00 0.00 19.45 17.65 3hsh n ALA 48 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.50 178.00 3hsh s ARG 49 N -3.56 4.24 -0.12 0.00 3.52 -1.26 -5.01 118.95 116.77 3hsh s ARG 49 Ca 0.77 2.28 -0.18 0.00 -0.13 0.00 0.00 55.73 58.46 3hsh s ARG 49 Cb -0.34 -3.25 -0.04 0.00 -1.56 0.00 0.00 34.95 29.75 3hsh s ARG 49 CO 0.47 -0.58 0.47 0.99 -0.81 0.00 0.00 175.30 175.84 3hsh s THR 50 N 1.38 5.19 0.76 4.11 2.01 -1.26 -5.07 115.64 122.76 3hsh s THR 50 Ca 0.69 0.94 -0.13 0.00 0.31 0.00 0.00 61.69 63.50 3hsh s THR 50 Cb -0.41 -3.81 0.05 0.00 0.01 0.00 0.00 72.50 68.34 3hsh s THR 50 CO 0.31 0.32 1.15 -2.84 -0.69 0.00 0.00 174.62 172.87 3hsh s PRO 51 N 0.66 2.10 0.53 4.92 0.02 -1.26 -5.00 135.00 136.97 3hsh s PRO 51 Ca 0.26 1.51 -0.21 0.00 0.02 0.00 0.00 61.00 62.58 3hsh s PRO 51 Cb -0.15 -1.85 -0.06 0.00 0.02 0.00 0.00 34.50 32.46 3hsh s PRO 51 CO 0.10 -1.82 1.19 -0.51 -0.33 0.00 0.00 177.00 175.64 3hsh s LEU 52 N -5.52 3.82 0.50 -5.54 1.43 -1.26 -4.96 118.68 107.14 3hsh s LEU 52 Ca 0.68 2.36 -0.22 0.00 -1.03 0.00 0.00 54.13 55.92 3hsh s LEU 52 Cb -0.23 -4.44 -0.06 0.00 0.03 0.00 0.00 46.19 41.49 3hsh s LEU 52 CO 0.49 -1.28 1.28 -2.84 0.23 0.00 0.00 176.35 174.23 3hsh s PRO 53 N -3.06 3.44 0.00 1.29 0.02 -1.26 -5.34 135.00 130.09 3hsh s PRO 53 Ca 0.71 2.05 0.10 0.00 0.02 0.00 0.00 61.00 63.89 3hsh s PRO 53 Cb -0.30 -2.35 0.62 0.00 0.02 0.00 0.00 34.50 32.50 3hsh s PRO 53 CO 0.34 -0.89 1.06 0.54 -0.33 0.00 0.00 177.00 177.72