#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hh2 h PHE 2 N 0.00 0.00 -4.63 2.11 0.04 -2.00 -3.48 116.94 108.98 3hh2 h PHE 2 Ca 0.00 0.00 -0.46 0.00 2.80 0.00 0.00 57.97 60.31 3hh2 h PHE 2 Cb 0.00 0.00 -0.13 0.00 2.20 0.00 0.00 35.95 38.02 3hh2 h PHE 2 CO 0.00 0.00 -0.50 0.20 -0.60 0.00 0.00 178.31 177.41 3hh2 s GLY 3 N -3.72 2.30 -0.12 -1.45 0.00 -1.26 -4.99 107.32 98.07 3hh2 s GLY 3 Ca 0.06 -1.96 -0.05 0.00 0.00 0.00 0.00 44.72 42.78 3hh2 s GLY 3 CO 0.72 -1.51 0.05 1.08 0.00 0.00 0.00 173.10 173.44 3hh2 s LEU 4 N -3.38 3.81 -0.10 0.66 1.43 -1.26 -5.06 118.68 114.78 3hh2 s LEU 4 Ca 0.39 0.19 -0.02 0.00 -1.03 0.00 0.00 54.13 53.66 3hh2 s LEU 4 Cb 0.03 -1.91 -0.03 0.00 0.03 0.00 0.00 46.19 44.30 3hh2 s LEU 4 CO 0.25 0.32 -0.03 -1.81 0.23 0.00 0.00 176.35 175.31 3hh2 s ASP 5 N -0.53 4.94 0.32 2.29 1.01 -1.26 -0.77 116.67 122.66 3hh2 s ASP 5 Ca 0.10 0.01 0.05 0.00 0.71 0.00 0.00 52.55 53.42 3hh2 s ASP 5 Cb -0.12 -1.48 -0.06 0.00 1.01 0.00 0.00 42.92 42.27 3hh2 s ASP 5 CO 0.02 0.31 0.03 0.00 0.21 0.00 0.00 175.17 175.74 3hh2 n ASP 7 N -0.67 -0.05 0.30 0.00 3.85 -1.26 -4.21 116.55 114.51 3hh2 n ASP 7 Ca -0.03 -1.26 0.19 0.00 -0.71 0.00 0.00 54.79 52.97 3hh2 n ASP 7 Cb 0.66 0.20 0.97 0.00 -1.35 0.00 0.00 41.12 41.60 3hh2 n ASP 7 CO 0.00 0.00 0.00 -0.08 -1.01 0.00 0.00 177.20 176.11 3hh2 h GLU 8 N 0.00 0.00 0.00 0.11 4.81 -2.00 -1.96 114.58 115.54 3hh2 h GLU 8 Ca -0.03 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.20 3hh2 h GLU 8 Cb 0.14 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.52 3hh2 h GLU 8 CO 0.04 0.00 -0.41 0.72 -0.73 0.00 0.00 179.01 178.63 3hh2 n HIS 9 N -3.23 0.26 -2.44 0.92 8.25 -1.26 -4.94 115.22 112.78 3hh2 n HIS 9 Ca -0.01 0.08 -0.33 0.00 -0.26 0.00 0.00 57.72 57.19 3hh2 n HIS 9 Cb 0.25 -0.49 -0.03 0.00 1.12 0.00 0.00 29.99 30.84 3hh2 n HIS 9 CO 0.00 0.00 0.00 -1.12 0.64 0.00 0.00 176.34 175.86 3hh2 s SER 10 N -3.54 6.29 -0.49 0.41 0.01 -0.74 -5.00 113.70 110.65 3hh2 s SER 10 Ca 0.10 1.84 0.06 0.00 1.31 0.00 0.00 55.95 59.26 3hh2 s SER 10 Cb 0.16 -2.55 0.38 0.00 0.21 0.00 0.00 66.02 64.23 3hh2 s SER 10 CO 0.67 -0.81 1.01 0.35 0.41 0.00 0.00 173.24 174.87 3hh2 n THR 11 N -1.25 2.47 -3.70 1.44 -2.24 -1.26 -4.95 114.28 104.79 3hh2 n THR 11 Ca 0.09 -5.10 -0.37 0.00 -2.27 0.00 0.00 64.05 56.40 3hh2 n THR 11 Cb 0.53 -1.16 -0.12 0.00 -2.10 0.00 0.00 70.33 67.48 3hh2 n THR 11 CO 0.00 0.00 0.00 -0.70 -0.57 0.00 0.00 175.07 173.80 3hh2 s GLU 12 N -3.43 3.68 0.23 -0.78 2.56 -1.26 -4.97 118.70 114.73 3hh2 s GLU 12 Ca 0.47 -0.47 0.15 0.00 0.00 0.00 0.00 54.97 55.12 3hh2 s GLU 12 Cb 0.35 -3.45 0.01 0.00 2.00 0.00 0.00 34.13 33.04 3hh2 s GLU 12 CO -0.15 -0.22 1.30 0.66 -0.56 0.00 0.00 175.26 176.29 3hh2 h SER 13 N 8.29 0.00 -4.33 -1.70 4.64 -1.97 -3.47 113.55 115.00 3hh2 h SER 13 Ca -0.37 0.00 -0.51 0.00 -0.47 0.00 0.00 61.79 60.44 3hh2 h SER 13 Cb 1.17 0.00 0.08 0.00 -0.31 0.00 0.00 62.40 63.34 3hh2 h SER 13 CO 0.58 0.53 0.39 -0.13 -0.87 0.00 0.00 176.83 177.32 3hh2 s ARG 14 N -2.95 3.21 -0.25 4.77 0.52 -1.26 0.60 118.95 123.59 3hh2 s ARG 14 Ca 0.02 0.90 -0.39 0.00 -0.52 0.00 0.00 55.73 55.74 3hh2 s ARG 14 Cb 0.08 -2.03 -0.15 0.00 0.52 0.00 0.00 34.95 33.37 3hh2 s ARG 14 CO 0.76 -0.88 1.75 0.00 0.02 0.00 0.00 175.30 176.95 3hh2 s ARG 17 N -1.60 4.26 0.27 0.00 3.52 0.05 -1.42 118.95 124.03 3hh2 s ARG 17 Ca -0.12 0.31 0.10 0.00 -0.13 0.00 0.00 55.73 55.89 3hh2 s ARG 17 Cb -0.05 -3.48 -0.04 0.00 -1.56 0.00 0.00 34.95 29.82 3hh2 s ARG 17 CO 0.02 0.08 -0.04 0.71 -0.81 0.00 0.00 175.30 175.26 3hh2 s TYR 18 N 0.90 2.62 0.45 5.12 2.02 0.64 -0.24 117.35 128.87 3hh2 s TYR 18 Ca 0.22 -0.25 -0.22 0.00 -0.37 0.00 0.00 57.07 56.46 3hh2 s TYR 18 Cb -0.15 -1.16 -0.08 0.00 -0.40 0.00 0.00 41.96 40.16 3hh2 s TYR 18 CO 0.08 0.64 1.05 -1.25 -1.57 0.00 0.00 175.55 174.50 3hh2 s PRO 19 N -3.65 3.92 -0.28 -1.71 0.04 -1.26 -1.29 135.00 130.77 3hh2 s PRO 19 Ca 0.31 1.45 -0.15 0.00 0.04 0.00 0.00 61.00 62.65 3hh2 s PRO 19 Cb -0.06 -2.27 0.09 0.00 0.04 0.00 0.00 34.50 32.30 3hh2 s PRO 19 CO 0.19 -0.35 0.70 -1.17 0.04 0.00 0.00 177.00 176.41 3hh2 s LEU 20 N -3.16 -0.96 -0.16 -3.56 2.96 -1.26 -4.70 118.68 107.84 3hh2 s LEU 20 Ca 0.64 1.50 -0.11 0.00 -0.22 0.00 0.00 54.13 55.93 3hh2 s LEU 20 Cb -0.19 2.35 -0.05 0.00 0.50 0.00 0.00 46.19 48.80 3hh2 s LEU 20 CO 0.24 -0.23 0.21 -0.89 -1.32 0.00 0.00 176.35 174.35 3hh2 s THR 21 N 1.82 5.37 -0.18 3.68 2.01 -1.26 -0.74 115.64 126.34 3hh2 s THR 21 Ca -0.09 0.36 -0.07 0.00 0.31 0.00 0.00 61.69 62.20 3hh2 s THR 21 Cb -0.06 -3.53 -0.04 0.00 0.01 0.00 0.00 72.50 68.88 3hh2 s THR 21 CO -0.20 0.45 0.05 -0.69 -0.69 0.00 0.00 174.62 173.55 3hh2 s VAL 22 N 0.12 4.69 -0.28 3.82 1.01 0.34 -4.91 120.40 125.18 3hh2 s VAL 22 Ca 0.13 -0.07 -0.00 0.00 0.00 0.00 0.00 61.98 62.04 3hh2 s VAL 22 Cb -0.12 -3.10 0.05 0.00 0.00 0.00 0.00 36.38 33.20 3hh2 s VAL 22 CO 0.02 0.47 -0.05 -0.62 0.00 0.00 0.00 175.10 174.92 3hh2 s ASP 23 N 0.34 4.62 0.20 3.32 -1.08 -1.26 -1.28 116.67 121.54 3hh2 s ASP 23 Ca 0.02 -1.24 -0.09 0.00 -0.52 0.00 0.00 52.55 50.72 3hh2 s ASP 23 Cb -0.13 -1.65 0.14 0.00 -1.46 0.00 0.00 42.92 39.82 3hh2 s ASP 23 CO 0.00 -0.21 1.76 -0.26 0.52 0.00 0.00 175.17 176.98 3hh2 h PHE 24 N 7.92 1.15 -0.79 -5.34 -1.00 -1.61 -1.64 116.94 115.63 3hh2 h PHE 24 Ca -0.23 -0.09 0.11 0.00 2.81 0.00 0.00 57.97 60.57 3hh2 h PHE 24 Cb 1.06 -0.34 -0.08 0.00 3.61 0.00 0.00 35.95 40.20 3hh2 h PHE 24 CO 0.61 0.88 0.42 0.93 -1.61 0.00 0.00 178.31 179.55 3hh2 h GLU 25 N 1.08 0.66 0.00 1.51 5.08 -1.82 -0.99 114.58 120.11 3hh2 h GLU 25 Ca 0.25 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.57 3hh2 h GLU 25 Cb 0.23 -0.15 0.00 0.00 0.50 0.00 0.00 28.75 29.33 3hh2 h GLU 25 CO -0.02 0.44 0.00 0.00 -1.00 0.00 0.00 179.01 178.43 3hh2 h ALA 26 N 1.47 1.00 0.00 3.43 0.00 -1.69 -2.86 119.26 120.62 3hh2 h ALA 26 Ca 0.40 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.31 3hh2 h ALA 26 Cb 0.44 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.23 3hh2 h ALA 26 CO -0.29 0.00 -0.77 1.19 0.00 0.00 0.00 179.25 179.38 3hh2 n PHE 27 N -2.54 0.07 -0.45 0.00 0.99 -0.46 -4.96 117.46 110.11 3hh2 n PHE 27 Ca 0.04 0.02 0.00 0.00 -0.00 0.00 0.00 57.45 57.51 3hh2 n PHE 27 Cb 0.38 -0.23 0.00 0.00 -1.00 0.00 0.00 39.48 38.63 3hh2 n PHE 27 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17 3hh2 n GLY 28 N 1.46 0.75 2.75 1.37 0.00 -0.71 -4.98 105.19 105.83 3hh2 n GLY 28 Ca 0.04 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.64 3hh2 n GLY 28 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 3hh2 n TRP 29 N -2.21 3.39 1.03 1.61 7.02 -0.85 -4.74 117.44 122.69 3hh2 n TRP 29 Ca 0.00 -2.90 0.11 0.00 -1.02 0.00 0.00 57.50 53.70 3hh2 n TRP 29 Cb 0.00 -2.49 0.57 0.00 -2.42 0.00 0.00 31.31 26.96 3hh2 n TRP 29 CO 0.00 0.00 0.00 -0.25 -2.02 0.00 0.00 177.69 175.42 3hh2 n ASP 30 N 6.13 0.00 -0.24 -0.99 8.00 -1.26 -2.76 116.55 125.43 3hh2 n ASP 30 Ca 0.52 0.10 0.14 0.00 0.71 0.00 0.00 54.79 56.26 3hh2 n ASP 30 Cb 0.39 -0.34 0.61 0.00 -0.02 0.00 0.00 41.12 41.75 3hh2 n ASP 30 CO 0.00 0.00 0.00 -2.67 -0.39 0.00 0.00 177.20 174.14 3hh2 n TRP 31 N -1.34 0.00 -3.02 1.24 2.14 -1.26 -4.85 117.44 110.34 3hh2 n TRP 31 Ca 0.10 0.00 -0.40 0.00 2.07 0.00 0.00 57.50 59.27 3hh2 n TRP 31 Cb 0.21 -0.08 -0.05 0.00 -0.81 0.00 0.00 31.31 30.59 3hh2 n TRP 31 CO 0.00 0.00 0.00 0.42 2.07 0.00 0.00 177.69 180.18 3hh2 s ILE 32 N -2.23 4.96 -0.25 -1.67 -1.09 -1.11 -0.17 121.20 119.64 3hh2 s ILE 32 Ca 0.35 1.51 -0.12 0.00 -2.23 0.00 0.00 60.65 60.16 3hh2 s ILE 32 Cb 0.21 -4.07 -0.16 0.00 -1.58 0.00 0.00 42.46 36.86 3hh2 s ILE 32 CO 0.41 0.28 -0.15 -0.38 -1.23 0.00 0.00 174.94 173.88 3hh2 n ILE 33 N 3.51 1.55 -3.65 2.92 5.41 0.58 -4.95 119.36 124.72 3hh2 n ILE 33 Ca -0.01 -0.36 -0.15 0.00 1.00 0.00 0.00 62.75 63.22 3hh2 n ILE 33 Cb 0.51 -1.82 -0.08 0.00 -0.71 0.00 0.00 39.64 37.54 3hh2 n ILE 33 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 3hh2 s ALA 34 N -2.48 -1.30 0.73 -1.39 0.00 -0.69 -4.49 121.76 112.13 3hh2 s ALA 34 Ca -0.35 1.00 -0.12 0.00 0.00 0.00 0.00 51.96 52.50 3hh2 s ALA 34 Cb 0.11 -0.19 0.03 0.00 0.00 0.00 0.00 23.12 23.07 3hh2 s ALA 34 CO 0.56 -0.30 1.11 -1.25 0.00 0.00 0.00 175.76 175.87 3hh2 s PRO 35 N -0.87 2.69 0.22 0.00 0.04 -1.26 -0.73 135.00 135.08 3hh2 s PRO 35 Ca -0.09 0.45 0.11 0.00 0.04 0.00 0.00 61.00 61.50 3hh2 s PRO 35 Cb -0.03 -2.00 0.11 0.00 0.04 0.00 0.00 34.50 32.61 3hh2 s PRO 35 CO 0.06 -1.15 1.46 0.87 0.04 0.00 0.00 177.00 178.27 3hh2 h LYS 36 N -0.74 0.00 -3.74 4.56 1.79 -1.94 -3.47 116.57 113.03 3hh2 h LYS 36 Ca -0.45 0.00 -0.13 0.00 -2.18 0.00 0.00 60.65 57.89 3hh2 h LYS 36 Cb 1.26 0.00 -0.18 0.00 -1.58 0.00 0.00 32.23 31.73 3hh2 h LYS 36 CO 0.64 0.74 -0.52 1.03 -1.08 0.00 0.00 179.45 180.25 3hh2 s ARG 37 N -3.12 0.56 0.15 3.15 0.52 -1.26 -1.52 118.95 117.42 3hh2 s ARG 37 Ca 0.01 -0.67 -0.21 0.00 -0.52 0.00 0.00 55.73 54.34 3hh2 s ARG 37 Cb 0.11 0.22 0.06 0.00 0.52 0.00 0.00 34.95 35.85 3hh2 s ARG 37 CO 0.78 -0.14 0.53 1.52 0.02 0.00 0.00 175.30 178.01 3hh2 s TYR 38 N -2.29 -0.43 -0.59 -0.53 1.13 -0.40 -4.98 117.35 109.27 3hh2 s TYR 38 Ca -0.08 0.19 -0.24 0.00 -1.41 0.00 0.00 57.07 55.53 3hh2 s TYR 38 Cb -0.03 0.46 0.05 0.00 -1.10 0.00 0.00 41.96 41.34 3hh2 s TYR 38 CO -0.03 -0.80 0.95 0.15 -2.51 0.00 0.00 175.55 173.32 3hh2 s LYS 39 N -3.74 3.26 0.01 -3.49 1.02 -1.26 -0.51 119.74 115.02 3hh2 s LYS 39 Ca 0.02 -0.44 0.03 0.00 0.02 0.00 0.00 55.97 55.59 3hh2 s LYS 39 Cb -0.00 -4.11 -0.25 0.00 -0.52 0.00 0.00 37.83 32.95 3hh2 s LYS 39 CO -0.12 -1.60 0.86 0.00 -0.92 0.00 0.00 175.35 173.57 3hh2 h ALA 40 N 9.40 0.42 -2.70 5.17 0.00 -1.22 -3.46 119.26 126.88 3hh2 h ALA 40 Ca -0.27 -1.18 0.31 0.00 0.00 0.00 0.00 54.91 53.77 3hh2 h ALA 40 Cb 1.07 0.27 -0.10 0.00 0.00 0.00 0.00 17.79 19.03 3hh2 h ALA 40 CO 1.12 1.28 -0.61 0.09 0.00 0.00 0.00 179.25 181.13 3hh2 n ASN 41 N -3.33 -7.07 -3.64 0.00 3.02 -0.88 -1.57 115.26 101.79 3hh2 n ASN 41 Ca -0.14 0.69 -0.09 0.00 -0.03 0.00 0.00 54.58 55.02 3hh2 n ASN 41 Cb 1.03 -3.72 -0.02 0.00 -0.61 0.00 0.00 39.78 36.46 3hh2 n ASN 41 CO 0.00 0.00 0.00 -0.72 -2.62 0.00 0.00 177.26 173.92 3hh2 s TYR 42 N -2.62 -0.33 -0.11 3.10 -0.85 -0.41 -4.69 117.35 111.45 3hh2 s TYR 42 Ca 0.00 0.03 -0.02 0.00 -0.52 0.00 0.00 57.07 56.55 3hh2 s TYR 42 Cb 0.00 0.62 -0.03 0.00 0.38 0.00 0.00 41.96 42.93 3hh2 s TYR 42 CO 0.00 -0.95 -0.01 0.00 -1.52 0.00 0.00 175.55 173.07 3hh2 s SER 44 N -0.44 -0.53 0.00 0.00 0.15 -0.51 -4.89 113.70 107.48 3hh2 s SER 44 Ca 0.08 0.82 0.00 0.00 0.70 0.00 0.00 55.95 57.54 3hh2 s SER 44 Cb -0.12 0.82 0.00 0.00 -1.71 0.00 0.00 66.02 65.01 3hh2 s SER 44 CO 0.02 -0.36 0.00 0.61 1.20 0.00 0.00 173.24 174.71 3hh2 n GLY 45 N 1.97 1.00 3.88 9.45 0.00 -1.26 -1.06 105.19 119.17 3hh2 n GLY 45 Ca -0.17 -2.08 -0.30 0.00 0.00 0.00 0.00 46.02 43.47 3hh2 n GLY 45 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3hh2 s GLU 46 N -1.01 3.74 -0.49 1.61 2.02 0.20 -4.41 118.70 120.36 3hh2 s GLU 46 Ca 0.00 0.33 0.03 0.00 0.02 0.00 0.00 54.97 55.36 3hh2 s GLU 46 Cb 0.00 -2.47 0.14 0.00 0.10 0.00 0.00 34.13 31.89 3hh2 s GLU 46 CO 0.00 0.05 0.26 0.00 0.02 0.00 0.00 175.26 175.60 3hh2 s GLU 48 N -0.06 3.06 2.59 0.00 0.41 -1.26 -4.71 118.70 118.73 3hh2 s GLU 48 Ca 0.18 -0.97 0.00 0.00 -0.41 0.00 0.00 54.97 53.77 3hh2 s GLU 48 Cb -0.23 -2.65 0.00 0.00 -1.78 0.00 0.00 34.13 29.47 3hh2 s GLU 48 CO -0.01 0.41 0.00 0.34 -0.49 0.00 0.00 175.26 175.51 3hh2 n PHE 49 N -1.22 0.00 -1.32 1.61 -0.00 -1.26 -1.54 117.46 113.73 3hh2 n PHE 49 Ca -0.08 0.00 0.08 0.00 -0.00 0.00 0.00 57.45 57.45 3hh2 n PHE 49 Cb 0.58 0.00 0.18 0.00 -0.00 0.00 0.00 39.48 40.23 3hh2 n PHE 49 CO 0.00 0.00 0.00 1.33 -0.00 0.00 0.00 176.76 178.09 3hh2 n VAL 50 N 0.00 2.07 -1.76 -2.13 0.24 -1.26 -4.97 118.33 110.52 3hh2 n VAL 50 Ca 0.00 -2.72 -0.41 0.00 -2.04 0.00 0.00 64.34 59.17 3hh2 n VAL 50 Cb 0.00 -0.24 -0.01 0.00 -1.47 0.00 0.00 33.84 32.12 3hh2 n VAL 50 CO 0.00 0.00 0.00 0.49 -2.14 0.00 0.00 176.83 175.18 3hh2 n PHE 51 N -1.26 2.91 -1.64 6.34 3.72 -0.59 -2.27 117.46 124.68 3hh2 n PHE 51 Ca 0.18 0.31 -0.19 0.00 -0.05 0.00 0.00 57.45 57.70 3hh2 n PHE 51 Cb 0.68 -2.58 -0.07 0.00 -0.94 0.00 0.00 39.48 36.57 3hh2 n PHE 51 CO 0.00 0.00 0.00 1.28 -0.05 0.00 0.00 176.76 177.99 3hh2 n LEU 52 N 1.66 -1.41 -4.66 4.37 7.99 -1.26 -4.58 117.00 119.11 3hh2 n LEU 52 Ca 0.06 0.40 -0.37 0.00 -0.01 0.00 0.00 56.01 56.10 3hh2 n LEU 52 Cb 0.37 -2.62 -0.09 0.00 -0.11 0.00 0.00 43.42 40.98 3hh2 n LEU 52 CO 0.64 -0.88 -0.14 -1.10 -1.51 0.00 0.00 177.39 174.40 3hh2 s GLN 53 N -3.73 4.08 0.07 3.23 -0.21 -0.96 -0.85 119.66 121.29 3hh2 s GLN 53 Ca 0.00 -0.21 0.22 0.00 0.02 0.00 0.00 55.36 55.39 3hh2 s GLN 53 Cb 0.00 -3.54 -0.19 0.00 1.00 0.00 0.00 33.01 30.28 3hh2 s GLN 53 CO 0.00 0.05 0.72 0.36 -2.12 0.00 0.00 175.29 174.30 3hh2 n LYS 54 N 4.32 0.64 -4.25 2.91 -0.00 -1.26 -4.93 118.16 115.58 3hh2 n LYS 54 Ca -0.14 -0.04 -0.34 0.00 -0.00 0.00 0.00 58.31 57.79 3hh2 n LYS 54 Cb 0.52 -1.66 -0.13 0.00 -0.00 0.00 0.00 35.03 33.75 3hh2 n LYS 54 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.40 178.11 3hh2 s TYR 55 N -3.40 2.97 0.50 5.58 2.02 -1.26 -4.98 117.35 118.77 3hh2 s TYR 55 Ca -0.05 -0.59 0.21 0.00 -0.37 0.00 0.00 57.07 56.27 3hh2 s TYR 55 Cb 0.12 -2.01 1.36 0.00 -0.40 0.00 0.00 41.96 41.03 3hh2 s TYR 55 CO 0.85 -0.27 2.12 -1.00 -1.57 0.00 0.00 175.55 175.68 3hh2 h PRO 56 N 7.31 0.00 -0.65 -1.71 0.13 -2.01 -2.62 132.00 132.45 3hh2 h PRO 56 Ca -0.34 0.00 0.12 0.00 -0.87 0.00 0.00 66.00 64.91 3hh2 h PRO 56 Cb 1.18 0.00 -0.09 0.00 0.13 0.00 0.00 31.00 32.23 3hh2 h PRO 56 CO 0.60 0.07 0.20 1.25 -0.23 0.00 0.00 178.00 179.90 3hh2 h HIS 57 N 0.00 0.34 -0.17 1.56 2.76 -1.99 -2.71 115.15 114.93 3hh2 h HIS 57 Ca -0.00 0.04 0.05 0.00 -2.20 0.00 0.00 60.37 58.25 3hh2 h HIS 57 Cb 0.14 -0.05 -0.07 0.00 1.55 0.00 0.00 27.41 28.99 3hh2 h HIS 57 CO 0.00 0.02 -0.38 1.15 -1.30 0.00 0.00 177.93 177.42 3hh2 h THR 58 N 0.35 0.19 0.00 6.26 2.02 -1.87 -0.85 112.91 119.01 3hh2 h THR 58 Ca 0.35 0.00 -0.09 0.00 0.77 0.00 0.00 66.41 67.44 3hh2 h THR 58 Cb 0.51 0.19 -0.01 0.00 -1.74 0.00 0.00 68.15 67.10 3hh2 h THR 58 CO -0.39 0.00 -0.42 -0.74 0.37 0.00 0.00 175.52 174.35 3hh2 h HIS 59 N -0.43 0.00 -0.68 3.16 6.17 -1.72 -2.11 115.15 119.53 3hh2 h HIS 59 Ca 0.09 0.00 -0.03 0.00 0.71 0.00 0.00 60.37 61.15 3hh2 h HIS 59 Cb 0.59 0.00 -0.03 0.00 2.52 0.00 0.00 27.41 30.49 3hh2 h HIS 59 CO -0.47 0.42 0.31 -0.07 0.71 0.00 0.00 177.93 178.83 3hh2 h LEU 60 N 0.00 0.90 -0.60 0.26 3.38 -0.99 -1.45 115.31 116.82 3hh2 h LEU 60 Ca -0.00 -0.14 -0.13 0.00 0.09 0.00 0.00 57.88 57.69 3hh2 h LEU 60 Cb 0.97 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 41.48 3hh2 h LEU 60 CO 0.05 0.80 -0.29 0.58 0.09 0.00 0.00 178.44 179.67 3hh2 h VAL 61 N 0.95 1.28 -0.71 1.22 2.07 -1.02 -1.73 116.25 118.30 3hh2 h VAL 61 Ca 0.23 -1.44 -0.04 0.00 0.82 0.00 0.00 66.70 66.27 3hh2 h VAL 61 Cb 0.14 1.30 -0.03 0.00 -1.52 0.00 0.00 31.29 31.18 3hh2 h VAL 61 CO -0.03 0.48 0.29 -0.74 0.02 0.00 0.00 177.57 177.59 3hh2 h HIS 62 N 0.68 1.09 -0.20 1.57 -0.00 -1.14 -0.89 115.15 116.26 3hh2 h HIS 62 Ca 0.08 -0.08 -0.21 0.00 -0.00 0.00 0.00 60.37 60.16 3hh2 h HIS 62 Cb 0.83 -0.33 0.01 0.00 -0.00 0.00 0.00 27.41 27.92 3hh2 h HIS 62 CO 0.04 0.84 -0.68 1.96 -0.00 0.00 0.00 177.93 180.09 3hh2 h GLN 63 N 1.02 0.81 0.00 5.26 4.20 -1.26 -2.66 115.11 122.48 3hh2 h GLN 63 Ca 0.24 -0.61 -0.00 0.00 0.06 0.00 0.00 58.65 58.34 3hh2 h GLN 63 Cb 0.21 0.11 -0.00 0.00 0.30 0.00 0.00 27.48 28.10 3hh2 h GLN 63 CO -0.02 1.22 -0.01 0.00 -0.67 0.00 0.00 178.83 179.35 3hh2 h ALA 64 N 0.59 1.42 -6.65 3.87 0.00 -1.16 -3.46 119.26 113.86 3hh2 h ALA 64 Ca -0.03 -0.01 -0.44 0.00 0.00 0.00 0.00 54.91 54.43 3hh2 h ALA 64 Cb 1.31 -0.00 -0.00 0.00 0.00 0.00 0.00 17.79 19.09 3hh2 h ALA 64 CO 0.14 0.01 -0.91 -1.71 0.00 0.00 0.00 179.25 176.79 3hh2 n ASN 65 N -3.70 -3.83 -4.94 0.00 5.15 -0.35 -4.95 115.26 102.64 3hh2 n ASN 65 Ca -0.03 -0.91 -0.25 0.00 -0.60 0.00 0.00 54.58 52.80 3hh2 n ASN 65 Cb 0.10 -1.33 0.05 0.00 -0.53 0.00 0.00 39.78 38.07 3hh2 n ASN 65 CO 0.00 0.00 0.00 -2.16 1.40 0.00 0.00 177.26 176.50 3hh2 s PRO 66 N -5.24 2.40 0.20 1.20 0.04 -1.26 -5.03 135.00 127.31 3hh2 s PRO 66 Ca 0.12 -0.34 -0.31 0.00 0.04 0.00 0.00 61.00 60.50 3hh2 s PRO 66 Cb -0.07 -2.27 -0.11 0.00 0.04 0.00 0.00 34.50 32.10 3hh2 s PRO 66 CO 0.77 -1.02 1.61 1.03 0.04 0.00 0.00 177.00 179.43 3hh2 s ARG 67 N -5.08 4.18 0.00 4.56 0.52 -1.26 -2.73 118.95 119.13 3hh2 s ARG 67 Ca 0.58 2.46 0.00 0.00 -0.52 0.00 0.00 55.73 58.25 3hh2 s ARG 67 Cb -0.11 -3.11 0.00 0.00 0.52 0.00 0.00 34.95 32.25 3hh2 s ARG 67 CO 0.43 -0.64 0.00 0.41 0.02 0.00 0.00 175.30 175.52 3hh2 n GLY 68 N 3.56 1.68 3.58 -3.53 0.00 -1.26 -5.00 105.19 104.22 3hh2 n GLY 68 Ca 0.13 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.74 3hh2 n GLY 68 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3hh2 s SER 69 N -3.28 6.29 0.98 1.61 1.04 -1.11 -5.01 113.70 114.22 3hh2 s SER 69 Ca 0.00 0.15 -0.12 0.00 0.48 0.00 0.00 55.95 56.45 3hh2 s SER 69 Cb 0.00 -2.55 0.17 0.00 0.10 0.00 0.00 66.02 63.74 3hh2 s SER 69 CO 0.00 -1.61 1.10 0.00 0.98 0.00 0.00 173.24 173.72 3hh2 s ALA 70 N 5.49 1.16 0.92 5.32 0.00 -1.26 -4.91 121.76 128.48 3hh2 s ALA 70 Ca 0.46 -0.39 -0.12 0.00 0.00 0.00 0.00 51.96 51.92 3hh2 s ALA 70 Cb -0.09 -3.10 0.14 0.00 0.00 0.00 0.00 23.12 20.08 3hh2 s ALA 70 CO 0.24 -2.69 1.09 0.20 0.00 0.00 0.00 175.76 174.60 3hh2 s GLY 71 N -3.59 1.60 0.73 0.00 0.00 -1.26 -4.99 107.32 99.82 3hh2 s GLY 71 Ca 0.65 -0.13 -0.15 0.00 0.00 0.00 0.00 44.72 45.09 3hh2 s GLY 71 CO 0.57 0.39 1.21 2.56 0.00 0.00 0.00 173.10 177.82 3hh2 s PRO 72 N -4.94 2.11 0.18 2.90 0.04 -1.26 -5.03 135.00 129.00 3hh2 s PRO 72 Ca 0.64 1.77 0.08 0.00 0.04 0.00 0.00 61.00 63.53 3hh2 s PRO 72 Cb -0.18 -1.83 -0.04 0.00 0.04 0.00 0.00 34.50 32.49 3hh2 s PRO 72 CO 0.57 -1.86 -0.17 0.00 0.04 0.00 0.00 177.00 175.58 3hh2 s THR 75 N 3.21 0.10 0.25 0.00 -1.32 -0.08 -4.77 115.64 113.03 3hh2 s THR 75 Ca 0.50 -0.80 -0.31 0.00 -1.21 0.00 0.00 61.69 59.87 3hh2 s THR 75 Cb -0.19 -1.23 -0.11 0.00 -1.51 0.00 0.00 72.50 69.46 3hh2 s THR 75 CO 0.11 -0.44 1.62 -2.84 -2.21 0.00 0.00 174.62 170.86 3hh2 s PRO 76 N -3.80 4.15 -0.00 7.08 0.02 -1.26 -0.95 135.00 140.24 3hh2 s PRO 76 Ca 0.03 2.53 0.12 0.00 0.02 0.00 0.00 61.00 63.70 3hh2 s PRO 76 Cb 0.03 -3.06 -0.13 0.00 0.02 0.00 0.00 34.50 31.35 3hh2 s PRO 76 CO -0.11 -0.65 0.47 0.25 -0.33 0.00 0.00 177.00 176.63 3hh2 n THR 77 N 2.97 0.00 -3.73 0.99 -2.24 0.87 -4.81 114.28 108.33 3hh2 n THR 77 Ca 0.11 -0.23 -0.12 0.00 -2.27 0.00 0.00 64.05 61.54 3hh2 n THR 77 Cb 0.37 0.93 -0.11 0.00 -2.10 0.00 0.00 70.33 69.42 3hh2 n THR 77 CO 0.00 0.00 0.00 -0.75 -0.57 0.00 0.00 175.07 173.75 3hh2 s LYS 78 N -2.16 0.34 0.20 -0.78 2.20 -1.14 -4.96 119.74 113.43 3hh2 s LYS 78 Ca 0.04 0.59 0.11 0.00 -0.36 0.00 0.00 55.97 56.34 3hh2 s LYS 78 Cb 0.09 0.03 -0.04 0.00 -1.51 0.00 0.00 37.83 36.39 3hh2 s LYS 78 CO 0.48 -0.12 -0.21 -1.64 -0.36 0.00 0.00 175.35 173.50 3hh2 s MET 79 N 0.88 1.47 0.07 4.03 -1.94 -1.26 -1.03 119.30 121.52 3hh2 s MET 79 Ca -0.06 -1.54 0.06 0.00 -1.71 0.00 0.00 55.69 52.44 3hh2 s MET 79 Cb -0.07 -1.66 -0.03 0.00 2.01 0.00 0.00 34.83 35.08 3hh2 s MET 79 CO -0.06 0.34 -0.15 -1.12 -0.01 0.00 0.00 175.02 174.01 3hh2 s SER 80 N -2.84 1.84 0.77 3.03 0.01 0.27 -4.81 113.70 111.97 3hh2 s SER 80 Ca 0.21 -0.61 -0.12 0.00 1.31 0.00 0.00 55.95 56.74 3hh2 s SER 80 Cb -0.07 -0.07 0.05 0.00 0.21 0.00 0.00 66.02 66.14 3hh2 s SER 80 CO 0.10 -0.04 1.12 -2.16 0.41 0.00 0.00 173.24 172.67 3hh2 s PRO 81 N -1.69 2.32 0.09 12.44 0.04 -1.26 -1.52 135.00 145.42 3hh2 s PRO 81 Ca 0.00 0.41 0.06 0.00 0.04 0.00 0.00 61.00 61.52 3hh2 s PRO 81 Cb -0.10 -1.96 -0.03 0.00 0.04 0.00 0.00 34.50 32.45 3hh2 s PRO 81 CO 0.02 -1.40 -0.17 0.96 0.04 0.00 0.00 177.00 176.45 3hh2 s ILE 82 N -3.35 1.37 0.08 0.56 -4.36 -0.75 -4.80 121.20 109.95 3hh2 s ILE 82 Ca 0.60 -1.47 -0.30 0.00 -0.26 0.00 0.00 60.65 59.22 3hh2 s ILE 82 Cb -0.12 -1.33 -0.05 0.00 1.25 0.00 0.00 42.46 42.21 3hh2 s ILE 82 CO 0.52 -0.20 1.02 0.20 0.24 0.00 0.00 174.94 176.71 3hh2 s ASN 83 N -1.93 7.37 0.08 4.36 0.01 -1.26 -0.28 114.94 123.29 3hh2 s ASN 83 Ca 0.03 1.82 0.04 0.00 -0.71 0.00 0.00 52.86 54.04 3hh2 s ASN 83 Cb -0.09 -2.58 -0.03 0.00 0.41 0.00 0.00 41.25 38.95 3hh2 s ASN 83 CO 0.03 -0.20 -0.11 -0.04 -1.51 0.00 0.00 177.10 175.27 3hh2 s MET 84 N 0.40 0.79 -0.14 -0.60 -1.94 0.59 -4.47 119.30 113.94 3hh2 s MET 84 Ca 0.50 -1.03 0.02 0.00 -1.71 0.00 0.00 55.69 53.48 3hh2 s MET 84 Cb -0.24 -0.61 0.01 0.00 2.01 0.00 0.00 34.83 36.00 3hh2 s MET 84 CO 0.30 0.12 -0.21 -1.17 -0.01 0.00 0.00 175.02 174.05 3hh2 s LEU 85 N -2.07 2.04 0.19 -0.03 2.96 0.09 -0.78 118.68 121.10 3hh2 s LEU 85 Ca 0.01 -0.58 -0.14 0.00 -0.22 0.00 0.00 54.13 53.20 3hh2 s LEU 85 Cb -0.07 -1.39 0.01 0.00 0.50 0.00 0.00 46.19 45.25 3hh2 s LEU 85 CO 0.01 0.06 0.43 -0.72 -1.32 0.00 0.00 176.35 174.82 3hh2 s TYR 86 N 0.88 0.13 -0.17 5.38 -0.85 0.38 -0.31 117.35 122.79 3hh2 s TYR 86 Ca -0.06 -0.48 -0.22 0.00 -0.52 0.00 0.00 57.07 55.79 3hh2 s TYR 86 Cb -0.15 0.21 -0.03 0.00 0.38 0.00 0.00 41.96 42.37 3hh2 s TYR 86 CO -0.03 -0.86 0.66 -0.06 -1.52 0.00 0.00 175.55 173.74 3hh2 s PHE 87 N -3.93 3.42 0.00 -3.49 0.08 0.76 -0.31 117.98 114.52 3hh2 s PHE 87 Ca 0.14 1.03 0.00 0.00 0.12 0.00 0.00 56.93 58.22 3hh2 s PHE 87 Cb 0.00 -2.82 0.00 0.00 -0.57 0.00 0.00 43.02 39.64 3hh2 s PHE 87 CO -0.00 -0.12 0.00 0.27 -0.10 0.00 0.00 175.22 175.27 3hh2 n ASN 88 N 4.77 -0.25 0.01 1.36 0.23 -0.41 -4.80 115.26 116.18 3hh2 n ASN 88 Ca -0.01 -0.87 0.08 0.00 -0.53 0.00 0.00 54.58 53.25 3hh2 n ASN 88 Cb 0.50 0.00 0.35 0.00 -2.08 0.00 0.00 39.78 38.55 3hh2 n ASN 88 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 3hh2 n GLY 89 N 4.38 -1.06 1.13 4.83 0.00 -1.26 -0.78 105.19 112.43 3hh2 n GLY 89 Ca 0.00 -0.04 0.10 0.00 0.00 0.00 0.00 46.02 46.08 3hh2 n GLY 89 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3hh2 n LYS 90 N -1.58 2.64 -2.34 1.61 5.02 -1.26 -4.95 118.16 117.29 3hh2 n LYS 90 Ca 0.04 -2.40 -0.18 0.00 -2.02 0.00 0.00 58.31 53.75 3hh2 n LYS 90 Cb 0.19 -1.48 -0.01 0.00 -0.02 0.00 0.00 35.03 33.71 3hh2 n LYS 90 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 3hh2 n GLU 91 N 1.34 -1.44 -3.46 1.97 -0.58 0.04 -5.01 120.64 113.51 3hh2 n GLU 91 Ca 0.20 0.86 -0.33 0.00 -0.42 0.00 0.00 57.16 57.47 3hh2 n GLU 91 Cb 0.57 -5.34 -0.05 0.00 -0.57 0.00 0.00 31.44 26.04 3hh2 n GLU 91 CO 0.00 0.00 0.00 -0.65 -0.48 0.00 0.00 177.13 176.00 3hh2 s GLN 92 N -4.89 3.81 -0.28 3.49 -0.21 -1.26 -4.82 119.66 115.50 3hh2 s GLN 92 Ca 0.00 0.26 -0.28 0.00 0.02 0.00 0.00 55.36 55.36 3hh2 s GLN 92 Cb -0.00 -2.79 0.01 0.00 1.00 0.00 0.00 33.01 31.23 3hh2 s GLN 92 CO 0.00 0.41 1.01 0.42 -2.12 0.00 0.00 175.29 175.02 3hh2 s ILE 93 N -1.65 4.63 -0.06 1.08 1.01 -1.26 -1.29 121.20 123.66 3hh2 s ILE 93 Ca 0.42 1.78 0.04 0.00 0.00 0.00 0.00 60.65 62.89 3hh2 s ILE 93 Cb -0.13 -4.33 0.00 0.00 0.01 0.00 0.00 42.46 38.02 3hh2 s ILE 93 CO 0.21 -0.32 -0.18 -0.63 0.00 0.00 0.00 174.94 174.03 3hh2 s ILE 94 N 3.35 1.50 -0.19 2.92 -1.09 0.58 -4.96 121.20 123.31 3hh2 s ILE 94 Ca 0.43 -0.73 -0.12 0.00 -2.23 0.00 0.00 60.65 58.00 3hh2 s ILE 94 Cb -0.14 -1.30 -0.05 0.00 -1.58 0.00 0.00 42.46 39.39 3hh2 s ILE 94 CO 0.11 0.43 0.23 -0.47 -1.23 0.00 0.00 174.94 174.01 3hh2 s TYR 95 N 0.23 3.41 0.08 3.97 5.04 -1.26 -0.47 117.35 128.35 3hh2 s TYR 95 Ca -0.09 0.45 -0.20 0.00 -2.44 0.00 0.00 57.07 54.79 3hh2 s TYR 95 Cb -0.14 -2.29 0.05 0.00 0.35 0.00 0.00 41.96 39.93 3hh2 s TYR 95 CO 0.04 0.20 0.49 0.20 -1.34 0.00 0.00 175.55 175.14 3hh2 s GLY 96 N 0.58 -0.39 -0.26 8.97 0.00 0.04 -5.00 107.32 111.26 3hh2 s GLY 96 Ca 0.13 0.39 -0.17 0.00 0.00 0.00 0.00 44.72 45.06 3hh2 s GLY 96 CO 0.02 0.11 0.49 1.25 0.00 0.00 0.00 173.10 174.97 3hh2 s LYS 97 N -2.92 4.07 -0.35 2.90 2.20 -1.26 -0.30 119.74 124.08 3hh2 s LYS 97 Ca -0.03 0.29 -0.09 0.00 -0.36 0.00 0.00 55.97 55.78 3hh2 s LYS 97 Cb -0.00 -3.64 0.02 0.00 -1.51 0.00 0.00 37.83 32.70 3hh2 s LYS 97 CO -0.06 -0.32 0.16 0.42 -0.36 0.00 0.00 175.35 175.19 3hh2 s ILE 98 N 2.21 4.35 0.66 5.43 -1.09 0.62 -4.93 121.20 128.45 3hh2 s ILE 98 Ca 0.21 -0.81 -0.17 0.00 -2.23 0.00 0.00 60.65 57.65 3hh2 s ILE 98 Cb -0.16 -3.37 0.00 0.00 -1.58 0.00 0.00 42.46 37.35 3hh2 s ILE 98 CO 0.09 -0.13 1.22 -2.84 -1.23 0.00 0.00 174.94 172.05 3hh2 s PRO 99 N 1.53 2.55 -1.32 2.79 0.02 -1.26 -1.81 135.00 137.49 3hh2 s PRO 99 Ca 0.02 1.82 -0.06 0.00 0.02 0.00 0.00 61.00 62.79 3hh2 s PRO 99 Cb -0.19 -1.88 0.01 0.00 0.02 0.00 0.00 34.50 32.47 3hh2 s PRO 99 CO 0.05 -1.54 1.11 0.00 -0.33 0.00 0.00 177.00 176.30 3hh2 n ALA 100 N -2.15 -1.53 -0.02 -1.55 0.00 -1.20 -4.84 120.51 109.22 3hh2 n ALA 100 Ca 0.14 0.25 -0.01 0.00 0.00 0.00 0.00 53.44 53.81 3hh2 n ALA 100 Cb 0.50 -4.51 -0.12 0.00 0.00 0.00 0.00 19.45 15.32 3hh2 n ALA 100 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.50 176.17 3hh2 n MET 101 N -4.73 0.65 -5.09 0.00 2.81 -0.66 -4.91 117.12 105.20 3hh2 n MET 101 Ca -0.08 0.08 -0.29 0.00 -1.81 0.00 0.00 57.70 55.59 3hh2 n MET 101 Cb 0.59 -1.67 -0.16 0.00 -0.71 0.00 0.00 33.22 31.27 3hh2 n MET 101 CO 0.00 0.00 0.00 0.08 1.51 0.00 0.00 175.97 177.56 3hh2 s VAL 102 N -2.89 1.79 -0.14 2.03 1.01 -0.58 -4.72 120.40 116.90 3hh2 s VAL 102 Ca -0.06 -0.92 -0.19 0.00 0.00 0.00 0.00 61.98 60.81 3hh2 s VAL 102 Cb 0.09 -1.52 -0.04 0.00 0.00 0.00 0.00 36.38 34.91 3hh2 s VAL 102 CO 0.84 0.50 0.54 0.54 0.00 0.00 0.00 175.10 177.52 3hh2 s VAL 103 N -0.09 5.13 -0.17 2.92 0.11 -0.61 -0.56 120.40 127.12 3hh2 s VAL 103 Ca -0.03 1.06 0.17 0.00 -2.93 0.00 0.00 61.98 60.25 3hh2 s VAL 103 Cb -0.13 -3.88 -0.25 0.00 -1.53 0.00 0.00 36.38 30.60 3hh2 s VAL 103 CO 0.03 0.25 0.18 0.47 -3.33 0.00 0.00 175.10 172.70 3hh2 n ASP 104 N 4.11 0.16 -3.66 3.54 8.00 -0.19 -4.78 116.55 123.73 3hh2 n ASP 104 Ca -0.05 0.08 -0.14 0.00 0.71 0.00 0.00 54.79 55.39 3hh2 n ASP 104 Cb 0.51 0.80 -0.08 0.00 -0.02 0.00 0.00 41.12 42.33 3hh2 n ASP 104 CO 0.00 0.00 0.00 -0.60 -0.39 0.00 0.00 177.20 176.21 3hh2 s ARG 105 N -2.51 0.73 0.04 -1.24 3.52 -1.09 -4.96 118.95 113.43 3hh2 s ARG 105 Ca -0.09 0.59 0.09 0.00 -0.13 0.00 0.00 55.73 56.19 3hh2 s ARG 105 Cb 0.06 0.35 -0.03 0.00 -1.56 0.00 0.00 34.95 33.77 3hh2 s ARG 105 CO 0.83 -0.13 -0.25 0.00 -0.81 0.00 0.00 175.30 174.94 3hh2 s GLY 107 N -1.23 0.61 -0.23 0.00 0.00 -0.13 -4.65 107.32 101.69 3hh2 s GLY 107 Ca 0.12 -0.90 -0.13 0.00 0.00 0.00 0.00 44.72 43.81 3hh2 s GLY 107 CO 0.02 -0.53 0.28 0.00 0.00 0.00 0.00 173.10 172.87