#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1njh s ALA 0 N 0.00 2.77 0.00 5.41 0.00 -1.26 -5.18 121.76 123.50 1njh s ALA 0 Ca 0.00 -1.93 0.00 0.00 0.00 0.00 0.00 51.96 50.03 1njh s ALA 0 Cb 0.00 -4.38 0.00 0.00 0.00 0.00 0.00 23.12 18.74 1njh s ALA 0 CO 0.00 -3.43 0.00 1.17 0.00 0.00 0.00 175.76 173.50 1njh n LYS 2 N 8.92 0.00 -1.61 0.00 4.81 0.12 -4.73 118.16 125.68 1njh n LYS 2 Ca 0.20 0.00 -0.46 0.00 -0.87 0.00 0.00 58.31 57.17 1njh n LYS 2 Cb 0.50 0.00 -0.03 0.00 0.02 0.00 0.00 35.03 35.52 1njh n LYS 2 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1njh n ALA 3 N -0.30 -0.05 -1.74 3.14 0.00 -1.26 -0.54 120.51 119.76 1njh n ALA 3 Ca 0.00 0.43 -0.42 0.00 0.00 0.00 0.00 53.44 53.45 1njh n ALA 3 Cb 0.00 -2.10 -0.03 0.00 0.00 0.00 0.00 19.45 17.32 1njh n ALA 3 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 1njh s ILE 4 N -0.40 2.10 -0.45 0.00 1.01 -0.12 -4.75 121.20 118.59 1njh s ILE 4 Ca 0.67 0.04 -0.07 0.00 0.00 0.00 0.00 60.65 61.30 1njh s ILE 4 Cb -0.75 -3.03 0.12 0.00 0.01 0.00 0.00 42.46 38.81 1njh s ILE 4 CO 0.54 0.00 0.30 -0.63 0.00 0.00 0.00 174.94 175.15 1njh s ILE 5 N 1.30 3.91 0.24 2.92 1.01 -1.26 -5.00 121.20 124.32 1njh s ILE 5 Ca 0.75 -1.87 -0.15 0.00 0.00 0.00 0.00 60.65 59.38 1njh s ILE 5 Cb -0.49 -3.60 0.29 0.00 0.01 0.00 0.00 42.46 38.67 1njh s ILE 5 CO 0.32 -0.75 1.55 1.17 0.00 0.00 0.00 174.94 177.23 1njh n LYS 6 N 4.81 -0.20 0.06 2.79 4.81 -1.26 -1.19 118.16 127.98 1njh n LYS 6 Ca -0.06 1.54 0.02 0.00 -0.87 0.00 0.00 58.31 58.93 1njh n LYS 6 Cb 0.41 -2.29 0.36 0.00 0.02 0.00 0.00 35.03 33.53 1njh n LYS 6 CO 0.00 0.00 0.00 0.93 1.17 0.00 0.00 177.40 179.50 1njh h GLU 7 N 0.00 0.38 -0.25 1.64 3.07 -1.97 -1.40 114.58 116.05 1njh h GLU 7 Ca 0.38 -0.08 -0.19 0.00 -0.50 0.00 0.00 59.36 58.98 1njh h GLU 7 Cb 0.63 -0.06 0.00 0.00 -0.84 0.00 0.00 28.75 28.48 1njh h GLU 7 CO -1.00 0.44 -0.58 0.22 -1.40 0.00 0.00 179.01 176.70 1njh h ASP 8 N 0.36 0.93 -0.35 1.42 -0.00 -1.58 -1.68 116.42 115.52 1njh h ASP 8 Ca 0.08 -0.56 -0.04 0.00 -0.00 0.00 0.00 57.03 56.51 1njh h ASP 8 Cb 0.31 -0.27 -0.01 0.00 -0.00 0.00 0.00 39.33 39.36 1njh h ASP 8 CO 0.01 1.32 0.05 0.58 -0.00 0.00 0.00 179.24 181.20 1njh h VAL 9 N 0.58 1.24 -0.59 2.25 2.07 -1.18 -0.97 116.25 119.66 1njh h VAL 9 Ca -0.00 -0.85 0.05 0.00 0.82 0.00 0.00 66.70 66.71 1njh h VAL 9 Cb 1.19 1.12 -0.05 0.00 -1.52 0.00 0.00 31.29 32.03 1njh h VAL 9 CO 0.13 0.29 0.32 -0.61 0.02 0.00 0.00 177.57 177.71 1njh h GLN 10 N 0.42 0.59 -0.61 1.57 5.75 -1.22 0.22 115.11 121.82 1njh h GLN 10 Ca 0.11 -0.04 -0.04 0.00 -0.15 0.00 0.00 58.65 58.54 1njh h GLN 10 Cb 0.37 -0.13 -0.03 0.00 1.07 0.00 0.00 27.48 28.76 1njh h GLN 10 CO 0.01 0.39 0.24 0.00 -2.65 0.00 0.00 178.83 176.82 1njh h ALA 11 N 1.30 1.27 -0.39 3.38 0.00 -1.05 -2.08 119.26 121.70 1njh h ALA 11 Ca 0.26 -0.16 -0.15 0.00 0.00 0.00 0.00 54.91 54.85 1njh h ALA 11 Cb 0.14 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.67 1njh h ALA 11 CO -0.16 0.54 -0.35 1.03 0.00 0.00 0.00 179.25 180.31 1njh h SER 12 N 0.88 0.95 -0.39 0.00 0.87 0.19 -2.75 113.55 113.30 1njh h SER 12 Ca 0.21 -0.42 -0.02 0.00 -1.23 0.00 0.00 61.79 60.33 1njh h SER 12 Cb 0.18 -0.27 -0.02 0.00 -0.44 0.00 0.00 62.40 61.86 1njh h SER 12 CO -0.02 1.20 0.15 -0.07 -0.53 0.00 0.00 176.83 177.57 1njh h LEU 13 N 0.75 0.54 -2.10 2.23 3.38 -0.31 -2.21 115.31 117.58 1njh h LEU 13 Ca 0.07 -0.17 -0.02 0.00 0.09 0.00 0.00 57.88 57.85 1njh h LEU 13 Cb 0.93 -0.14 -0.00 0.00 0.09 0.00 0.00 40.66 41.54 1njh h LEU 13 CO 0.09 0.56 -0.08 -0.33 0.09 0.00 0.00 178.44 178.77 1njh h GLU 14 N 0.48 0.00 -0.75 1.13 5.08 -1.36 -2.21 114.58 116.96 1njh h GLU 14 Ca 0.13 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.47 1njh h GLU 14 Cb 0.19 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.41 1njh h GLU 14 CO -0.01 0.08 0.41 -0.09 -1.00 0.00 0.00 179.01 178.40 1njh h ARG 15 N 0.00 1.05 -0.05 2.33 2.43 -1.09 -2.80 114.38 116.25 1njh h ARG 15 Ca -0.00 -0.12 0.00 0.00 -0.81 0.00 0.00 59.98 59.05 1njh h ARG 15 Cb 0.23 -0.20 0.00 0.00 -0.42 0.00 0.00 29.97 29.57 1njh h ARG 15 CO 0.01 0.78 0.00 0.66 -1.51 0.00 0.00 179.97 179.91 1njh n TYR 16 N -4.45 0.04 -2.40 2.20 4.01 -0.85 -4.94 117.16 110.78 1njh n TYR 16 Ca 0.07 -0.02 -0.36 0.00 -0.16 0.00 0.00 57.90 57.42 1njh n TYR 16 Cb 0.09 0.00 -0.02 0.00 -0.31 0.00 0.00 39.34 39.10 1njh n TYR 16 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1njh s ALA 17 N -1.96 2.96 0.00 -0.72 0.00 -1.06 -3.92 121.76 117.07 1njh s ALA 17 Ca 0.37 0.79 0.00 0.00 0.00 0.00 0.00 51.96 53.12 1njh s ALA 17 Cb 0.20 -3.32 0.00 0.00 0.00 0.00 0.00 23.12 20.00 1njh s ALA 17 CO 0.32 -0.47 0.00 -0.25 0.00 0.00 0.00 175.76 175.36 1njh n ASP 18 N -0.52 -3.53 -3.98 0.00 8.00 0.50 -4.99 116.55 112.03 1njh n ASP 18 Ca 0.07 0.00 -0.09 0.00 0.71 0.00 0.00 54.79 55.48 1njh n ASP 18 Cb 0.50 -1.09 -0.10 0.00 -0.02 0.00 0.00 41.12 40.40 1njh n ASP 18 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1njh s ARG 19 N -0.40 0.44 0.20 -1.24 1.70 -1.25 -4.99 118.95 113.40 1njh s ARG 19 Ca 0.00 -0.74 -0.32 0.00 -0.47 0.00 0.00 55.73 54.20 1njh s ARG 19 Cb 0.00 0.16 -0.12 0.00 -0.57 0.00 0.00 34.95 34.42 1njh s ARG 19 CO 0.00 -0.09 1.71 -2.30 -1.08 0.00 0.00 175.30 173.55 1njh n PRO 20 N 1.13 2.70 -4.21 3.89 -0.02 -1.26 -4.54 135.00 132.68 1njh n PRO 20 Ca -0.21 0.97 -0.12 0.00 -2.02 0.00 0.00 63.50 62.12 1njh n PRO 20 Cb 0.57 -2.82 -0.10 0.00 -0.02 0.00 0.00 33.50 31.13 1njh n PRO 20 CO 0.00 0.00 0.00 0.14 1.98 0.00 0.00 175.50 177.62 1njh s VAL 21 N 1.23 0.45 -0.06 -1.45 -7.23 0.27 -4.85 120.40 108.77 1njh s VAL 21 Ca 0.76 -1.96 -0.02 0.00 -1.81 0.00 0.00 61.98 58.96 1njh s VAL 21 Cb -0.53 -2.15 -0.04 0.00 0.56 0.00 0.00 36.38 34.23 1njh s VAL 21 CO 0.33 -0.42 0.04 -0.31 -0.31 0.00 0.00 175.10 174.43 1njh s TYR 22 N -3.81 3.23 0.00 2.82 1.51 0.17 -1.63 117.35 119.63 1njh s TYR 22 Ca 0.26 0.22 0.07 0.00 -1.01 0.00 0.00 57.07 56.60 1njh s TYR 22 Cb 0.07 -1.77 -0.02 0.00 -0.11 0.00 0.00 41.96 40.12 1njh s TYR 22 CO 0.04 0.52 -0.22 0.42 -1.11 0.00 0.00 175.55 175.20 1njh s ILE 23 N -1.01 1.71 -0.14 2.71 1.01 -0.11 -1.52 121.20 123.86 1njh s ILE 23 Ca 0.17 -1.02 0.02 0.00 0.00 0.00 0.00 60.65 59.82 1njh s ILE 23 Cb -0.12 -1.44 0.01 0.00 0.01 0.00 0.00 42.46 40.92 1njh s ILE 23 CO 0.06 0.40 -0.22 -2.28 0.00 0.00 0.00 174.94 172.91 1njh s HIS 24 N -0.60 2.68 -0.06 3.97 5.65 -0.39 -0.86 115.29 125.68 1njh s HIS 24 Ca 0.08 -1.37 -0.01 0.00 0.25 0.00 0.00 55.06 54.01 1njh s HIS 24 Cb -0.08 -1.83 0.03 0.00 -1.18 0.00 0.00 32.58 29.52 1njh s HIS 24 CO 0.00 -0.63 0.02 -1.17 -0.65 0.00 0.00 174.74 172.31 1njh s LEU 25 N 0.86 0.48 -0.03 8.88 2.96 -0.10 -0.73 118.68 131.00 1njh s LEU 25 Ca -0.06 -0.04 -0.06 0.00 -0.22 0.00 0.00 54.13 53.75 1njh s LEU 25 Cb -0.15 -0.35 0.01 0.00 0.50 0.00 0.00 46.19 46.19 1njh s LEU 25 CO -0.03 -0.21 0.14 -0.70 -1.32 0.00 0.00 176.35 174.24 1njh s GLU 26 N 1.99 0.34 -0.03 1.98 2.12 -0.50 -0.75 118.70 123.85 1njh s GLU 26 Ca 0.05 -0.12 0.03 0.00 0.36 0.00 0.00 54.97 55.29 1njh s GLU 26 Cb -0.12 0.15 -0.00 0.00 0.26 0.00 0.00 34.13 34.41 1njh s GLU 26 CO -0.04 -0.07 -0.12 0.95 -0.54 0.00 0.00 175.26 175.43 1njh s THR 27 N -0.70 1.05 0.18 -1.70 -4.23 -0.44 -1.16 115.64 108.64 1njh s THR 27 Ca -0.08 -0.51 0.04 0.00 -1.18 0.00 0.00 61.69 59.96 1njh s THR 27 Cb -0.05 -0.92 -0.05 0.00 1.34 0.00 0.00 72.50 72.83 1njh s THR 27 CO 0.01 0.31 -0.05 0.42 -0.54 0.00 0.00 174.62 174.77 1njh s THR 28 N 0.11 1.07 0.32 3.99 -4.23 -0.50 -0.51 115.64 115.88 1njh s THR 28 Ca -0.03 -2.04 -0.01 0.00 -1.18 0.00 0.00 61.69 58.43 1njh s THR 28 Cb -0.10 -2.07 -0.01 0.00 1.34 0.00 0.00 72.50 71.67 1njh s THR 28 CO 0.01 -0.56 0.40 0.42 -0.54 0.00 0.00 174.62 174.35 1njh s THR 29 N -3.40 0.00 -0.60 3.99 -4.23 -1.26 -1.50 115.64 108.64 1njh s THR 29 Ca 0.22 -1.70 0.02 0.00 -1.18 0.00 0.00 61.69 59.05 1njh s THR 29 Cb 0.04 -2.56 0.15 0.00 1.34 0.00 0.00 72.50 71.47 1njh s THR 29 CO 0.04 0.00 0.38 -0.83 -0.54 0.00 0.00 174.62 173.67 1njh s GLY 30 N -3.24 2.59 0.00 3.99 0.00 -1.16 -4.77 107.32 104.73 1njh s GLY 30 Ca 0.33 -3.41 0.00 0.00 0.00 0.00 0.00 44.72 41.64 1njh s GLY 30 CO 0.20 1.06 0.00 -1.30 0.00 0.00 0.00 173.10 173.06 1njh n THR 42 N 2.95 0.00 -2.50 0.90 -2.24 -1.26 -5.12 114.28 107.02 1njh n THR 42 Ca 0.09 0.00 -0.41 0.00 -2.27 0.00 0.00 64.05 61.47 1njh n THR 42 Cb 0.34 0.00 -0.04 0.00 -2.10 0.00 0.00 70.33 68.53 1njh n THR 42 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 1njh s VAL 43 N -0.83 3.64 -0.09 2.28 1.01 -1.26 -4.42 120.40 120.73 1njh s VAL 43 Ca 0.00 1.56 -0.12 0.00 0.00 0.00 0.00 61.98 63.42 1njh s VAL 43 Cb 0.00 -3.99 -0.04 0.00 0.00 0.00 0.00 36.38 32.34 1njh s VAL 43 CO 0.00 0.33 -0.23 0.52 0.00 0.00 0.00 175.10 175.72 1njh n VAL 44 N 1.64 1.38 -4.39 2.92 0.31 0.33 -4.91 118.33 115.60 1njh n VAL 44 Ca 0.00 0.19 -0.20 0.00 -0.01 0.00 0.00 64.34 64.32 1njh n VAL 44 Cb 0.45 -2.06 -0.14 0.00 -0.91 0.00 0.00 33.84 31.18 1njh n VAL 44 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1njh s ALA 45 N -2.58 1.05 -0.20 3.52 0.00 -1.13 -5.00 121.76 117.42 1njh s ALA 45 Ca -0.20 -0.70 -0.09 0.00 0.00 0.00 0.00 51.96 50.97 1njh s ALA 45 Cb 0.03 -0.19 0.08 0.00 0.00 0.00 0.00 23.12 23.04 1njh s ALA 45 CO 0.29 0.21 0.47 -0.47 0.00 0.00 0.00 175.76 176.26 1njh s TYR 46 N -0.66 -0.78 -0.08 0.00 5.04 -1.26 -1.33 117.35 118.28 1njh s TYR 46 Ca 0.02 1.55 0.00 0.00 -2.44 0.00 0.00 57.07 56.21 1njh s TYR 46 Cb -0.07 0.37 0.02 0.00 0.35 0.00 0.00 41.96 42.63 1njh s TYR 46 CO 0.01 -0.44 -0.07 -1.50 -1.34 0.00 0.00 175.55 172.21 1njh s ILE 47 N 1.94 0.88 -0.07 3.14 2.07 0.07 -5.01 121.20 124.22 1njh s ILE 47 Ca -0.07 -0.25 0.05 0.00 -1.41 0.00 0.00 60.65 58.97 1njh s ILE 47 Cb -0.09 -0.89 -0.00 0.00 0.13 0.00 0.00 42.46 41.60 1njh s ILE 47 CO -0.14 0.32 -0.22 -0.60 -1.91 0.00 0.00 174.94 172.39 1njh s ARG 48 N 1.34 2.48 -1.39 3.50 3.52 -1.26 -0.93 118.95 126.21 1njh s ARG 48 Ca -0.03 -0.80 -0.09 0.00 -0.13 0.00 0.00 55.73 54.68 1njh s ARG 48 Cb -0.14 -2.03 0.03 0.00 -1.56 0.00 0.00 34.95 31.26 1njh s ARG 48 CO -0.03 0.27 1.05 0.09 -0.81 0.00 0.00 175.30 175.87 1njh n ASN 49 N 3.21 -4.86 -4.73 -2.12 3.02 -0.04 -4.95 115.26 104.78 1njh n ASN 49 Ca -0.18 -0.65 -0.41 0.00 -0.03 0.00 0.00 54.58 53.30 1njh n ASN 49 Cb 0.52 -4.58 -0.04 0.00 -0.61 0.00 0.00 39.78 35.07 1njh n ASN 49 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1njh s ALA 50 N -3.35 3.31 -0.24 5.41 0.00 -1.04 -4.78 121.76 121.08 1njh s ALA 50 Ca 0.49 0.70 -0.09 0.00 0.00 0.00 0.00 51.96 53.05 1njh s ALA 50 Cb -0.23 -3.31 -0.04 0.00 0.00 0.00 0.00 23.12 19.54 1njh s ALA 50 CO 0.77 -0.10 0.13 0.21 0.00 0.00 0.00 175.76 176.77 1njh s LYS 51 N -0.26 3.95 0.14 0.00 2.20 -1.26 -0.93 119.74 123.58 1njh s LYS 51 Ca 0.48 -0.33 -0.06 0.00 -0.36 0.00 0.00 55.97 55.69 1njh s LYS 51 Cb -0.27 -3.46 -0.02 0.00 -1.51 0.00 0.00 37.83 32.57 1njh s LYS 51 CO 0.32 0.00 0.19 0.14 -0.36 0.00 0.00 175.35 175.65 1njh s VAL 52 N 1.18 0.09 -0.15 4.02 -7.23 -0.65 -4.97 120.40 112.69 1njh s VAL 52 Ca 0.06 -1.55 -0.01 0.00 -1.81 0.00 0.00 61.98 58.68 1njh s VAL 52 Cb -0.14 -1.85 0.04 0.00 0.56 0.00 0.00 36.38 34.99 1njh s VAL 52 CO 0.05 -0.40 -0.05 -0.89 -0.31 0.00 0.00 175.10 173.50 1njh s THR 53 N -3.98 1.02 -0.00 5.32 2.01 -1.26 -0.56 115.64 118.18 1njh s THR 53 Ca 0.18 -0.52 0.02 0.00 0.31 0.00 0.00 61.69 61.68 1njh s THR 53 Cb 0.05 -1.18 -0.04 0.00 0.01 0.00 0.00 72.50 71.34 1njh s THR 53 CO -0.01 0.16 -0.01 -0.72 -0.69 0.00 0.00 174.62 173.35 1njh s TYR 54 N 1.68 3.03 -0.21 4.92 -0.85 -1.26 -2.45 117.35 122.21 1njh s TYR 54 Ca 0.02 0.05 0.15 0.00 -0.52 0.00 0.00 57.07 56.77 1njh s TYR 54 Cb -0.15 -1.66 -0.21 0.00 0.38 0.00 0.00 41.96 40.33 1njh s TYR 54 CO -0.08 0.44 0.41 -2.39 -1.52 0.00 0.00 175.55 172.42 1njh n HIS 55 N 1.43 0.00 -4.15 -3.49 1.44 -0.41 -0.37 115.22 109.68 1njh n HIS 55 Ca -0.15 0.00 -0.15 0.00 -2.01 0.00 0.00 57.72 55.41 1njh n HIS 55 Cb 0.53 -0.25 -0.13 0.00 0.12 0.00 0.00 29.99 30.26 1njh n HIS 55 CO 0.00 0.00 0.00 -0.65 -2.81 0.00 0.00 176.34 172.88 1njh s GLN 56 N -2.86 0.52 -0.18 -1.40 -1.52 -1.24 -4.83 119.66 108.15 1njh s GLN 56 Ca -0.02 -0.45 -0.16 0.00 -1.95 0.00 0.00 55.36 52.78 1njh s GLN 56 Cb 0.10 -0.42 0.05 0.00 -0.22 0.00 0.00 33.01 32.52 1njh s GLN 56 CO 0.62 0.10 0.48 0.00 -0.25 0.00 0.00 175.29 176.24 1njh s ALA 57 N -0.64 -1.19 -0.16 6.09 0.00 -1.26 -0.95 121.76 123.64 1njh s ALA 57 Ca -0.02 1.40 -0.13 0.00 0.00 0.00 0.00 51.96 53.20 1njh s ALA 57 Cb -0.05 -0.81 0.05 0.00 0.00 0.00 0.00 23.12 22.30 1njh s ALA 57 CO 0.00 -0.23 0.42 0.21 0.00 0.00 0.00 175.76 176.16 1njh s LYS 58 N 0.38 0.46 -0.17 0.00 2.20 -0.64 -4.88 119.74 117.09 1njh s LYS 58 Ca -0.01 0.66 -0.06 0.00 -0.36 0.00 0.00 55.97 56.20 1njh s LYS 58 Cb -0.04 0.15 -0.04 0.00 -1.51 0.00 0.00 37.83 36.39 1njh s LYS 58 CO -0.01 -0.09 0.05 -1.50 -0.36 0.00 0.00 175.35 173.43 1njh s ILE 59 N 0.63 4.65 0.27 5.43 2.07 -1.26 -1.70 121.20 131.30 1njh s ILE 59 Ca -0.03 -0.09 0.05 0.00 -1.41 0.00 0.00 60.65 59.17 1njh s ILE 59 Cb -0.05 -3.07 -0.06 0.00 0.13 0.00 0.00 42.46 39.41 1njh s ILE 59 CO -0.04 0.48 -0.02 -0.54 -1.91 0.00 0.00 174.94 172.91 1njh s LYS 60 N 0.20 1.50 0.00 3.50 1.02 0.36 -4.96 119.74 121.35 1njh s LYS 60 Ca 0.03 -1.77 0.00 0.00 0.02 0.00 0.00 55.97 54.25 1njh s LYS 60 Cb -0.12 -0.93 0.00 0.00 -0.52 0.00 0.00 37.83 36.25 1njh s LYS 60 CO 0.01 -0.05 0.00 0.41 -0.92 0.00 0.00 175.35 174.80 1njh n GLY 61 N -0.55 0.74 0.00 -3.33 0.00 -1.26 -1.18 105.19 99.61 1njh n GLY 61 Ca -0.05 -2.10 0.00 0.00 0.00 0.00 0.00 46.02 43.87 1njh n GLY 61 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1njh n ASN 62 N 0.00 1.49 0.00 1.61 3.02 -1.26 -4.94 115.26 115.18 1njh n ASN 62 Ca 0.00 -1.70 0.00 0.00 -0.03 0.00 0.00 54.58 52.85 1njh n ASN 62 Cb 0.00 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.17 1njh n ASN 62 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1njh n GLY 63 N -0.35 2.06 3.43 7.41 0.00 -1.26 -4.96 105.19 111.52 1njh n GLY 63 Ca 0.00 -0.93 -0.30 0.00 0.00 0.00 0.00 46.02 44.79 1njh n GLY 63 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 1njh s PRO 64 N -2.50 -2.02 0.35 1.61 0.02 -1.26 -5.17 135.00 126.03 1njh s PRO 64 Ca 0.00 0.19 0.09 0.00 0.02 0.00 0.00 61.00 61.30 1njh s PRO 64 Cb 0.00 -1.48 -0.06 0.00 0.02 0.00 0.00 34.50 32.98 1njh s PRO 64 CO 0.00 -4.29 -0.07 0.71 -0.33 0.00 0.00 177.00 173.02 1njh s TYR 65 N -2.55 2.44 -0.02 6.54 2.02 0.14 -4.74 117.35 121.17 1njh s TYR 65 Ca 0.69 -0.50 0.02 0.00 -0.37 0.00 0.00 57.07 56.91 1njh s TYR 65 Cb -0.14 -1.44 0.00 0.00 -0.40 0.00 0.00 41.96 39.99 1njh s TYR 65 CO 0.58 0.55 -0.08 -0.98 -1.57 0.00 0.00 175.55 174.05 1njh s ARG 66 N -3.64 0.86 -0.08 -0.62 1.70 -0.32 -1.39 118.95 115.46 1njh s ARG 66 Ca 0.33 -0.28 0.04 0.00 -0.47 0.00 0.00 55.73 55.35 1njh s ARG 66 Cb 0.03 -0.82 -0.01 0.00 -0.57 0.00 0.00 34.95 33.58 1njh s ARG 66 CO 0.17 0.11 -0.20 0.08 -1.08 0.00 0.00 175.30 174.37 1njh s VAL 67 N 0.17 2.44 -0.06 4.99 1.01 0.30 -0.49 120.40 128.76 1njh s VAL 67 Ca -0.02 -0.91 0.04 0.00 0.00 0.00 0.00 61.98 61.08 1njh s VAL 67 Cb -0.08 -1.94 0.00 0.00 0.00 0.00 0.00 36.38 34.36 1njh s VAL 67 CO 0.00 0.56 -0.18 -0.83 0.00 0.00 0.00 175.10 174.66 1njh s GLY 68 N -0.06 0.99 -0.10 4.51 0.00 -0.69 -1.20 107.32 110.77 1njh s GLY 68 Ca -0.05 -0.71 0.02 0.00 0.00 0.00 0.00 44.72 43.98 1njh s GLY 68 CO 0.04 -0.28 -0.17 1.08 0.00 0.00 0.00 173.10 173.78 1njh s LEU 69 N 0.20 1.81 -0.39 0.66 1.43 0.77 -1.62 118.68 121.54 1njh s LEU 69 Ca -0.08 -0.44 -0.17 0.00 -1.03 0.00 0.00 54.13 52.41 1njh s LEU 69 Cb -0.14 -1.12 0.01 0.00 0.03 0.00 0.00 46.19 44.97 1njh s LEU 69 CO 0.04 0.05 0.44 -0.75 0.23 0.00 0.00 176.35 176.36 1njh s LYS 70 N 0.78 3.34 0.75 1.70 2.47 -0.13 -1.41 119.74 127.25 1njh s LYS 70 Ca -0.11 -0.52 -0.03 0.00 -1.56 0.00 0.00 55.97 53.75 1njh s LYS 70 Cb -0.16 -3.89 0.15 0.00 -1.46 0.00 0.00 37.83 32.48 1njh s LYS 70 CO 0.02 -0.73 1.03 0.25 0.16 0.00 0.00 175.35 176.08 1njh n THR 71 N 5.40 0.00 -0.34 3.43 -2.24 -0.44 -1.28 114.28 118.81 1njh n THR 71 Ca -0.07 -1.44 -0.04 0.00 -2.27 0.00 0.00 64.05 60.23 1njh n THR 71 Cb 0.48 -1.00 0.01 0.00 -2.10 0.00 0.00 70.33 67.72 1njh n THR 71 CO 0.00 0.00 0.00 -0.33 -0.57 0.00 0.00 175.07 174.17 1njh h GLU 72 N 0.00 -0.05 0.00 -0.78 5.08 -1.88 -3.22 114.58 113.73 1njh h GLU 72 Ca -0.34 0.00 -0.11 0.00 -1.00 0.00 0.00 59.36 57.92 1njh h GLU 72 Cb 1.19 0.01 -0.24 0.00 0.50 0.00 0.00 28.75 30.21 1njh h GLU 72 CO 0.34 -0.03 -0.82 -0.85 -1.00 0.00 0.00 179.01 176.65 1njh n GLU 73 N -5.43 0.05 0.00 2.33 0.28 -1.26 -5.11 120.64 111.50 1njh n GLU 73 Ca 0.07 -1.68 0.00 0.00 -0.16 0.00 0.00 57.16 55.40 1njh n GLU 73 Cb 0.37 -0.23 0.00 0.00 1.43 0.00 0.00 31.44 33.01 1njh n GLU 73 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 1njh n GLY 74 N 0.26 3.80 3.13 -1.84 0.00 -1.22 -5.19 105.19 104.14 1njh n GLY 74 Ca 0.04 -0.88 -0.11 0.00 0.00 0.00 0.00 46.02 45.07 1njh n GLY 74 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1njh s TRP 75 N -1.77 0.06 -0.07 1.61 0.52 -1.26 -1.33 118.94 116.70 1njh s TRP 75 Ca 0.00 -0.21 0.01 0.00 0.02 0.00 0.00 56.10 55.92 1njh s TRP 75 Cb 0.00 -0.05 0.02 0.00 -1.15 0.00 0.00 33.47 32.29 1njh s TRP 75 CO 0.00 -0.34 -0.08 0.42 0.02 0.00 0.00 176.95 176.97 1njh s ILE 76 N -1.85 0.90 -0.00 2.03 1.01 -0.50 -4.93 121.20 117.86 1njh s ILE 76 Ca -0.11 -0.29 -0.00 0.00 0.00 0.00 0.00 60.65 60.25 1njh s ILE 76 Cb -0.05 -0.89 0.00 0.00 0.01 0.00 0.00 42.46 41.54 1njh s ILE 76 CO -0.00 0.32 0.01 -0.47 0.00 0.00 0.00 174.94 174.79 1njh s TYR 77 N 1.12 0.00 -0.03 3.97 5.04 -1.26 -0.16 117.35 126.04 1njh s TYR 77 Ca -0.07 0.02 -0.01 0.00 -2.44 0.00 0.00 57.07 54.58 1njh s TYR 77 Cb -0.14 -0.04 0.03 0.00 0.35 0.00 0.00 41.96 42.16 1njh s TYR 77 CO -0.01 -0.02 0.05 0.00 -1.34 0.00 0.00 175.55 174.23 1njh s ALA 78 N 0.17 0.01 0.15 3.97 0.00 -0.34 -5.00 121.76 120.72 1njh s ALA 78 Ca -0.01 0.35 0.11 0.00 0.00 0.00 0.00 51.96 52.41 1njh s ALA 78 Cb -0.02 -0.27 -0.04 0.00 0.00 0.00 0.00 23.12 22.79 1njh s ALA 78 CO -0.00 -0.11 -0.24 -2.00 0.00 0.00 0.00 175.76 173.41 1njh s GLU 79 N 1.01 1.53 0.00 0.00 2.56 -1.26 -0.54 118.70 122.00 1njh s GLU 79 Ca -0.08 -1.37 0.00 0.00 0.00 0.00 0.00 54.97 53.52 1njh s GLU 79 Cb -0.12 -1.93 0.00 0.00 2.00 0.00 0.00 34.13 34.08 1njh s GLU 79 CO -0.03 0.44 0.00 0.41 -0.56 0.00 0.00 175.26 175.52 1njh n GLY 80 N 0.65 0.83 3.73 -1.50 0.00 -0.65 -4.95 105.19 103.30 1njh n GLY 80 Ca -0.16 -0.18 -0.41 0.00 0.00 0.00 0.00 46.02 45.28 1njh n GLY 80 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1njh s LEU 81 N 0.00 4.45 0.00 0.99 1.43 -0.48 -4.06 118.68 121.01 1njh s LEU 81 Ca 0.00 1.90 0.00 0.00 -1.03 0.00 0.00 54.13 55.00 1njh s LEU 81 Cb 0.00 -3.59 0.00 0.00 0.03 0.00 0.00 46.19 42.63 1njh s LEU 81 CO 0.00 -0.22 0.00 0.35 0.23 0.00 0.00 176.35 176.71 1njh n THR 82 N 3.06 0.00 -4.29 5.49 -2.24 0.15 0.24 114.28 116.69 1njh n THR 82 Ca 0.04 0.00 -0.15 0.00 -2.27 0.00 0.00 64.05 61.67 1njh n THR 82 Cb 0.48 0.04 -0.10 0.00 -2.10 0.00 0.00 70.33 68.65 1njh n THR 82 CO 0.00 0.00 0.00 -1.83 -0.57 0.00 0.00 175.07 172.67 1njh s GLU 83 N -1.29 1.22 0.19 -0.78 -1.05 -0.33 -0.95 118.70 115.71 1njh s GLU 83 Ca 0.00 -1.60 -0.22 0.00 -0.15 0.00 0.00 54.97 53.01 1njh s GLU 83 Cb 0.00 -0.49 0.08 0.00 -0.44 0.00 0.00 34.13 33.28 1njh s GLU 83 CO 0.00 -0.09 1.03 1.52 0.95 0.00 0.00 175.26 178.67 1njh s TYR 84 N -3.49 0.07 -0.07 4.83 -0.85 0.30 -1.29 117.35 116.84 1njh s TYR 84 Ca 0.25 -0.48 -0.32 0.00 -0.52 0.00 0.00 57.07 56.00 1njh s TYR 84 Cb 0.05 0.71 0.13 0.00 0.38 0.00 0.00 41.96 43.23 1njh s TYR 84 CO 0.06 -0.94 1.28 -0.08 -1.52 0.00 0.00 175.55 174.35 1njh s THR 85 N -2.18 0.00 -0.20 -3.49 -1.32 -0.69 -0.70 115.64 107.06 1njh s THR 85 Ca 0.22 -0.15 0.00 0.00 -1.21 0.00 0.00 61.69 60.55 1njh s THR 85 Cb -0.03 -1.73 0.05 0.00 -1.51 0.00 0.00 72.50 69.28 1njh s THR 85 CO 0.05 0.00 -0.08 -0.69 -2.21 0.00 0.00 174.62 171.69 1njh s VAL 86 N -2.38 1.47 0.99 5.08 1.01 -1.26 -1.27 120.40 124.05 1njh s VAL 86 Ca 0.13 -0.94 -0.17 0.00 0.00 0.00 0.00 61.98 61.00 1njh s VAL 86 Cb 0.03 -1.61 0.23 0.00 0.00 0.00 0.00 36.38 35.03 1njh s VAL 86 CO -0.04 0.11 1.35 1.51 0.00 0.00 0.00 175.10 178.03 1njh s ASP 87 N 1.46 2.81 0.59 3.32 3.84 -0.88 -4.84 116.67 122.97 1njh s ASP 87 Ca -0.02 0.15 0.29 0.00 -0.00 0.00 0.00 52.55 52.97 1njh s ASP 87 Cb -0.16 -0.09 1.62 0.00 -1.38 0.00 0.00 42.92 42.90 1njh s ASP 87 CO -0.08 -2.91 2.07 1.05 -0.00 0.00 0.00 175.17 175.29 1njh h GLU 88 N -1.77 0.00 -0.44 2.11 9.09 -2.00 0.41 114.58 121.98 1njh h GLU 88 Ca -0.44 0.00 0.00 0.00 0.05 0.00 0.00 59.36 58.97 1njh h GLU 88 Cb 1.21 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.31 1njh h GLU 88 CO 0.32 0.00 0.00 0.39 0.05 0.00 0.00 179.01 179.77 1njh n GLU 89 N -3.80 2.02 -3.47 1.06 1.02 -1.26 -4.91 120.64 111.30 1njh n GLU 89 Ca 0.03 -1.59 -0.21 0.00 -0.02 0.00 0.00 57.16 55.37 1njh n GLU 89 Cb 0.38 -1.35 0.07 0.00 -0.02 0.00 0.00 31.44 30.53 1njh n GLU 89 CO 0.00 0.00 0.00 -1.71 1.18 0.00 0.00 177.13 176.60 1njh n ASN 90 N 0.79 -5.42 -4.56 1.62 5.15 0.14 -4.90 115.26 108.09 1njh n ASN 90 Ca 0.15 -0.50 -0.34 0.00 -0.60 0.00 0.00 54.58 53.29 1njh n ASN 90 Cb 0.38 -4.65 -0.11 0.00 -0.53 0.00 0.00 39.78 34.86 1njh n ASN 90 CO 0.00 0.00 0.00 -0.13 1.40 0.00 0.00 177.26 178.53 1njh s ARG 91 N -6.06 3.76 -0.36 1.20 0.52 -1.25 -4.78 118.95 111.98 1njh s ARG 91 Ca 0.46 -0.45 -0.27 0.00 -0.52 0.00 0.00 55.73 54.95 1njh s ARG 91 Cb -0.20 -3.02 0.02 0.00 0.52 0.00 0.00 34.95 32.27 1njh s ARG 91 CO 0.67 0.27 0.98 -1.17 0.02 0.00 0.00 175.30 176.07 1njh s LEU 92 N 0.31 3.95 0.32 2.53 2.96 -0.54 -2.07 118.68 126.14 1njh s LEU 92 Ca -0.01 0.73 0.08 0.00 -0.22 0.00 0.00 54.13 54.72 1njh s LEU 92 Cb -0.13 -3.36 -0.04 0.00 0.50 0.00 0.00 46.19 43.15 1njh s LEU 92 CO 0.02 -0.88 0.14 -0.76 -1.32 0.00 0.00 176.35 173.55 1njh s LEU 93 N 3.57 3.34 0.00 -0.68 1.43 -0.39 -0.85 118.68 125.10 1njh s LEU 93 Ca 0.41 -0.67 0.00 0.00 -1.03 0.00 0.00 54.13 52.84 1njh s LEU 93 Cb -0.12 -1.85 0.00 0.00 0.03 0.00 0.00 46.19 44.26 1njh s LEU 93 CO 0.18 -0.23 0.00 0.00 0.23 0.00 0.00 176.35 176.53 1njh n ALA 95 N -1.14 0.00 -3.27 4.21 0.00 -0.41 -1.71 120.51 118.19 1njh n ALA 95 Ca -0.04 0.00 -0.14 0.00 0.00 0.00 0.00 53.44 53.26 1njh n ALA 95 Cb 0.60 0.00 -0.08 0.00 0.00 0.00 0.00 19.45 19.97 1njh n ALA 95 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 1njh s GLY 96 N 0.00 -0.21 -0.11 0.00 0.00 -0.28 -0.67 107.32 106.05 1njh s GLY 96 Ca 0.00 0.49 -0.05 0.00 0.00 0.00 0.00 44.72 45.16 1njh s GLY 96 CO 0.00 0.26 0.24 -1.58 0.00 0.00 0.00 173.10 172.02 1njh s HIS 97 N -1.21 -0.35 -0.48 1.90 5.04 -1.26 -1.22 115.29 117.72 1njh s HIS 97 Ca -0.12 0.83 -0.09 0.00 -1.54 0.00 0.00 55.06 54.14 1njh s HIS 97 Cb -0.04 -0.02 0.12 0.00 0.04 0.00 0.00 32.58 32.67 1njh s HIS 97 CO 0.05 -0.28 0.35 -0.51 -2.34 0.00 0.00 174.74 172.00 1njh s LEU 98 N 1.84 5.70 0.50 8.88 1.43 0.51 -4.95 118.68 132.59 1njh s LEU 98 Ca -0.04 -1.96 0.14 0.00 -1.03 0.00 0.00 54.13 51.25 1njh s LEU 98 Cb -0.11 -2.01 1.19 0.00 0.03 0.00 0.00 46.19 45.29 1njh s LEU 98 CO -0.08 -0.68 2.13 1.55 0.23 0.00 0.00 176.35 179.49 1njh h PRO 99 N 8.39 0.11 0.12 1.29 0.13 -1.97 0.48 132.00 140.56 1njh h PRO 99 Ca -0.20 -0.01 -0.01 0.00 -0.87 0.00 0.00 66.00 64.92 1njh h PRO 99 Cb 1.07 -0.03 0.00 0.00 0.13 0.00 0.00 31.00 32.17 1njh h PRO 99 CO 0.85 0.07 -0.06 0.78 -0.23 0.00 0.00 178.00 179.42 1njh h GLY 100 N 0.12 -0.17 1.76 1.56 0.00 -1.96 -3.19 103.07 101.18 1njh h GLY 100 Ca 0.04 0.06 0.00 0.00 0.00 0.00 0.00 47.33 47.43 1njh h GLY 100 CO -0.01 -0.06 -0.06 0.61 0.00 0.00 0.00 176.54 177.02 1njh n GLY 101 N 0.37 -1.40 3.45 4.60 0.00 -1.14 -4.93 105.19 106.13 1njh n GLY 101 Ca -0.08 -0.14 -0.18 0.00 0.00 0.00 0.00 46.02 45.61 1njh n GLY 101 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1njh n LYS 102 N -1.43 -4.82 -4.43 1.61 4.76 0.17 -4.86 118.16 109.15 1njh n LYS 102 Ca 0.09 0.79 -0.20 0.00 -2.87 0.00 0.00 58.31 56.12 1njh n LYS 102 Cb 0.32 -5.63 -0.15 0.00 -1.84 0.00 0.00 35.03 27.72 1njh n LYS 102 CO 0.00 0.00 0.00 -1.17 -1.37 0.00 0.00 177.40 174.86 1njh s LEU 103 N -6.16 1.91 0.06 -0.35 0.20 -0.91 -2.98 118.68 110.44 1njh s LEU 103 Ca 0.15 -0.19 0.03 0.00 0.69 0.00 0.00 54.13 54.81 1njh s LEU 103 Cb -0.03 -0.55 -0.03 0.00 -0.43 0.00 0.00 46.19 45.15 1njh s LEU 103 CO 0.76 0.10 -0.09 0.00 -0.29 0.00 0.00 176.35 176.82 1njh s ALA 104 N -0.04 0.79 0.01 5.97 0.00 -0.56 -0.36 121.76 127.56 1njh s ALA 104 Ca 0.01 -0.89 -0.05 0.00 0.00 0.00 0.00 51.96 51.03 1njh s ALA 104 Cb -0.06 0.02 -0.01 0.00 0.00 0.00 0.00 23.12 23.07 1njh s ALA 104 CO 0.00 0.01 0.08 -1.50 0.00 0.00 0.00 175.76 174.35 1njh s ILE 105 N -1.58 0.09 -0.06 0.00 2.07 -0.36 -1.41 121.20 119.95 1njh s ILE 105 Ca -0.05 -0.73 -0.03 0.00 -1.41 0.00 0.00 60.65 58.43 1njh s ILE 105 Cb -0.08 -0.36 0.03 0.00 0.13 0.00 0.00 42.46 42.18 1njh s ILE 105 CO 0.01 -0.40 0.13 -0.55 -1.91 0.00 0.00 174.94 172.22 1njh s SER 106 N -1.34 -0.10 -0.08 4.50 0.15 -0.31 -1.12 113.70 115.40 1njh s SER 106 Ca -0.14 0.27 -0.01 0.00 0.70 0.00 0.00 55.95 56.77 1njh s SER 106 Cb -0.08 0.18 0.03 0.00 -1.71 0.00 0.00 66.02 64.44 1njh s SER 106 CO 0.01 -0.13 -0.03 -0.22 1.20 0.00 0.00 173.24 174.07 1njh s LEU 107 N 0.97 0.87 0.00 3.45 2.96 -1.26 -1.41 118.68 124.26 1njh s LEU 107 Ca -0.07 -0.16 0.04 0.00 -0.22 0.00 0.00 54.13 53.71 1njh s LEU 107 Cb -0.10 -0.58 -0.01 0.00 0.50 0.00 0.00 46.19 46.00 1njh s LEU 107 CO -0.05 -0.15 -0.12 -1.10 -1.32 0.00 0.00 176.35 173.61 1njh s GLN 108 N 1.76 0.95 -0.05 1.98 -0.21 0.09 -4.57 119.66 119.62 1njh s GLN 108 Ca 0.03 -0.51 0.03 0.00 0.02 0.00 0.00 55.36 54.93 1njh s GLN 108 Cb -0.13 -0.93 0.01 0.00 1.00 0.00 0.00 33.01 32.96 1njh s GLN 108 CO -0.06 0.25 -0.14 0.42 -2.12 0.00 0.00 175.29 173.65 1njh s ILE 109 N -0.43 1.19 0.01 1.08 1.01 -0.03 -1.26 121.20 122.76 1njh s ILE 109 Ca 0.04 -0.55 -0.10 0.00 0.00 0.00 0.00 60.65 60.03 1njh s ILE 109 Cb -0.05 -1.05 0.01 0.00 0.01 0.00 0.00 42.46 41.37 1njh s ILE 109 CO -0.00 0.36 0.21 -0.55 0.00 0.00 0.00 174.94 174.95 1njh s SER 110 N 0.34 -0.04 0.32 3.58 0.15 -0.57 -1.46 113.70 116.01 1njh s SER 110 Ca -0.08 -0.18 0.25 0.00 0.70 0.00 0.00 55.95 56.64 1njh s SER 110 Cb -0.13 0.26 0.70 0.00 -1.71 0.00 0.00 66.02 65.15 1njh s SER 110 CO 0.03 -0.46 1.73 -0.33 1.20 0.00 0.00 173.24 175.41 1njh h GLU 111 N 3.87 0.00 -5.89 5.44 5.08 -1.86 0.48 114.58 121.69 1njh h GLU 111 Ca -0.31 0.00 -0.52 0.00 -1.00 0.00 0.00 59.36 57.53 1njh h GLU 111 Cb 1.19 0.00 -0.15 0.00 0.50 0.00 0.00 28.75 30.28 1njh h GLU 111 CO 0.43 0.00 -0.76 0.15 -1.00 0.00 0.00 179.01 177.83 1njh s LYS 112 N -3.19 1.42 0.50 2.33 1.02 -1.26 -4.69 119.74 115.86 1njh s LYS 112 Ca 0.08 -1.58 -0.22 0.00 0.02 0.00 0.00 55.97 54.26 1njh s LYS 112 Cb 0.09 -1.39 -0.08 0.00 -0.52 0.00 0.00 37.83 35.94 1njh s LYS 112 CO 0.60 0.26 1.14 -2.30 -0.92 0.00 0.00 175.35 174.13 1njh n PRO 113 N -0.22 1.45 -2.94 -1.68 -0.02 -1.26 -4.69 135.00 125.64 1njh n PRO 113 Ca -0.09 0.53 -0.40 0.00 -2.02 0.00 0.00 63.50 61.52 1njh n PRO 113 Cb 0.59 -2.28 -0.05 0.00 -0.02 0.00 0.00 33.50 31.75 1njh n PRO 113 CO 0.00 0.00 0.00 -0.06 1.98 0.00 0.00 175.50 177.42 1njh s PHE 114 N -1.32 3.75 0.00 6.00 0.08 -1.26 -4.99 117.98 120.24 1njh s PHE 114 Ca 0.68 1.53 0.00 0.00 0.12 0.00 0.00 56.93 59.25 1njh s PHE 114 Cb -0.48 -2.86 0.00 0.00 -0.57 0.00 0.00 43.02 39.11 1njh s PHE 114 CO 0.53 0.26 0.00 0.25 -0.10 0.00 0.00 175.22 176.16 1njh n THR 115 N 2.80 0.00 1.25 0.64 -2.24 -1.26 -4.94 114.28 110.53 1njh n THR 115 Ca -0.02 0.00 0.13 0.00 -2.27 0.00 0.00 64.05 61.89 1njh n THR 115 Cb 0.50 0.00 0.31 0.00 -2.10 0.00 0.00 70.33 69.04 1njh n THR 115 CO 0.00 0.00 0.00 1.33 -0.57 0.00 0.00 175.07 175.83