#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1p5t s SER 6 N 0.00 4.90 0.03 1.61 0.01 -1.19 -4.72 113.70 114.34 1p5t s SER 6 Ca 0.00 2.70 0.05 0.00 1.31 0.00 0.00 55.95 60.01 1p5t s SER 6 Cb 0.00 -2.63 -0.02 0.00 0.21 0.00 0.00 66.02 63.58 1p5t s SER 6 CO 0.00 -1.81 -0.15 -1.10 0.41 0.00 0.00 173.24 170.59 1p5t s GLN 7 N -3.16 1.03 0.01 12.44 -0.21 -1.26 -0.89 119.66 127.62 1p5t s GLN 7 Ca 0.78 -0.72 0.01 0.00 0.02 0.00 0.00 55.36 55.44 1p5t s GLN 7 Cb -0.39 -1.04 -0.01 0.00 1.00 0.00 0.00 33.01 32.57 1p5t s GLN 7 CO 0.44 0.27 -0.03 -0.06 -2.12 0.00 0.00 175.29 173.78 1p5t s PHE 8 N -0.72 0.27 -0.34 0.91 0.40 -0.23 -4.96 117.98 113.31 1p5t s PHE 8 Ca 0.03 -0.18 -0.23 0.00 -0.60 0.00 0.00 56.93 55.96 1p5t s PHE 8 Cb -0.07 -0.18 0.00 0.00 0.51 0.00 0.00 43.02 43.29 1p5t s PHE 8 CO 0.01 -0.04 0.76 -0.46 0.70 0.00 0.00 175.22 176.19 1p5t s TRP 9 N -0.45 3.15 0.15 0.36 -0.11 -1.26 -0.85 118.94 119.93 1p5t s TRP 9 Ca -0.03 0.63 0.06 0.00 1.22 0.00 0.00 56.10 57.98 1p5t s TRP 9 Cb -0.04 -3.30 -0.04 0.00 -1.50 0.00 0.00 33.47 28.60 1p5t s TRP 9 CO -0.00 -0.65 -0.14 0.14 -4.62 0.00 0.00 176.95 171.68 1p5t s VAL 10 N 2.99 1.45 -0.12 5.86 -7.23 0.25 -4.93 120.40 118.67 1p5t s VAL 10 Ca 0.31 -1.95 0.00 0.00 -1.81 0.00 0.00 61.98 58.52 1p5t s VAL 10 Cb -0.14 -1.78 -0.02 0.00 0.56 0.00 0.00 36.38 35.01 1p5t s VAL 10 CO 0.15 -0.54 -0.12 -0.89 -0.31 0.00 0.00 175.10 173.39 1p5t s THR 11 N -2.65 3.13 0.06 5.32 2.01 -1.09 0.99 115.64 123.41 1p5t s THR 11 Ca 0.15 -0.64 -0.31 0.00 0.31 0.00 0.00 61.69 61.20 1p5t s THR 11 Cb -0.02 -2.31 -0.06 0.00 0.01 0.00 0.00 72.50 70.12 1p5t s THR 11 CO 0.04 0.53 1.27 -0.55 -0.69 0.00 0.00 174.62 175.22 1p5t s SER 12 N 0.22 6.99 -0.10 3.53 0.15 0.22 0.21 113.70 124.92 1p5t s SER 12 Ca -0.08 2.10 0.00 0.00 0.70 0.00 0.00 55.95 58.67 1p5t s SER 12 Cb -0.15 -2.58 -0.02 0.00 -1.71 0.00 0.00 66.02 61.56 1p5t s SER 12 CO 0.05 -0.55 -0.09 0.00 1.20 0.00 0.00 173.24 173.85 1p5t s GLN 13 N 1.26 3.04 -0.16 5.44 -2.07 0.06 -4.60 119.66 122.61 1p5t s GLN 13 Ca 0.61 -0.60 -0.40 0.00 -1.82 0.00 0.00 55.36 53.15 1p5t s GLN 13 Cb -0.31 -2.62 -0.17 0.00 -1.09 0.00 0.00 33.01 28.82 1p5t s GLN 13 CO 0.29 0.47 1.55 1.17 -1.32 0.00 0.00 175.29 177.45 1p5t n LYS 14 N 2.80 0.97 -3.96 9.60 4.81 -1.26 -4.44 118.16 126.69 1p5t n LYS 14 Ca -0.18 0.35 -0.08 0.00 -0.87 0.00 0.00 58.31 57.53 1p5t n LYS 14 Cb 0.53 -1.99 -0.09 0.00 0.02 0.00 0.00 35.03 33.50 1p5t n LYS 14 CO 0.00 0.00 0.00 0.95 1.17 0.00 0.00 177.40 179.52 1p5t s THR 15 N 2.26 0.17 0.18 3.15 -4.23 -1.26 -5.03 115.64 110.88 1p5t s THR 15 Ca 0.94 -1.42 -0.14 0.00 -1.18 0.00 0.00 61.69 59.89 1p5t s THR 15 Cb -1.09 -1.36 0.09 0.00 1.34 0.00 0.00 72.50 71.49 1p5t s THR 15 CO 0.60 -0.78 1.71 -0.08 -0.54 0.00 0.00 174.62 175.53 1p5t h GLU 16 N 3.02 0.17 -0.79 3.99 4.81 -1.95 0.42 114.58 124.25 1p5t h GLU 16 Ca -0.34 -0.01 0.01 0.00 -0.13 0.00 0.00 59.36 58.89 1p5t h GLU 16 Cb 1.17 -0.04 -0.04 0.00 0.63 0.00 0.00 28.75 30.48 1p5t h GLU 16 CO 0.59 0.11 0.52 0.00 -0.73 0.00 0.00 179.01 179.50 1p5t h ALA 17 N 1.36 1.00 0.00 2.92 0.00 -1.87 0.21 119.26 122.88 1p5t h ALA 17 Ca 0.22 -0.06 -0.07 0.00 0.00 0.00 0.00 54.91 55.00 1p5t h ALA 17 Cb 0.30 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 17.76 1p5t h ALA 17 CO -0.32 0.43 -0.35 0.66 0.00 0.00 0.00 179.25 179.67 1p5t h SER 18 N 1.07 0.00 -0.11 0.00 4.64 -1.57 -1.49 113.55 116.10 1p5t h SER 18 Ca 0.29 0.00 -0.09 0.00 -0.47 0.00 0.00 61.79 61.52 1p5t h SER 18 Cb -0.11 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 61.98 1p5t h SER 18 CO -0.06 0.35 -0.28 -0.08 -0.87 0.00 0.00 176.83 175.89 1p5t h GLU 19 N 0.00 0.37 -0.85 4.77 4.57 0.37 0.42 114.58 124.23 1p5t h GLU 19 Ca -0.00 -0.26 0.03 0.00 -1.18 0.00 0.00 59.36 57.94 1p5t h GLU 19 Cb 0.81 0.04 -0.05 0.00 -0.16 0.00 0.00 28.75 29.39 1p5t h GLU 19 CO 0.05 0.87 0.55 -0.09 -1.18 0.00 0.00 179.01 179.21 1p5t h ARG 20 N -0.07 1.05 -0.61 1.92 2.43 -0.34 -0.22 114.38 118.54 1p5t h ARG 20 Ca -0.00 -0.06 0.00 0.00 -0.81 0.00 0.00 59.98 59.10 1p5t h ARG 20 Cb 0.89 -0.24 0.00 0.00 -0.42 0.00 0.00 29.97 30.20 1p5t h ARG 20 CO 0.06 0.70 0.00 0.00 -1.51 0.00 0.00 179.97 179.22 1p5t n GLY 22 N 0.34 -0.36 3.75 0.00 0.00 -0.09 -4.91 105.19 103.93 1p5t n GLY 22 Ca 0.04 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.66 1p5t n GLY 22 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1p5t s LEU 23 N -5.44 4.54 -0.28 0.99 1.43 0.15 -5.01 118.68 115.07 1p5t s LEU 23 Ca 0.00 2.24 -0.20 0.00 -1.03 0.00 0.00 54.13 55.14 1p5t s LEU 23 Cb 0.00 -3.62 0.08 0.00 0.03 0.00 0.00 46.19 42.68 1p5t s LEU 23 CO 0.00 -0.15 0.71 -1.58 0.23 0.00 0.00 176.35 175.56 1p5t s GLN 24 N -1.25 0.75 2.32 1.70 -0.44 -1.26 -4.66 119.66 116.82 1p5t s GLN 24 Ca 0.45 1.12 0.00 0.00 -2.50 0.00 0.00 55.36 54.43 1p5t s GLN 24 Cb -0.31 0.25 0.00 0.00 -1.64 0.00 0.00 33.01 31.30 1p5t s GLN 24 CO 0.40 -0.13 0.00 0.41 0.50 0.00 0.00 175.29 176.47 1p5t n GLY 25 N 3.63 -0.31 3.90 2.59 0.00 -1.26 -4.94 105.19 108.79 1p5t n GLY 25 Ca -0.17 -1.28 -0.33 0.00 0.00 0.00 0.00 46.02 44.24 1p5t n GLY 25 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1p5t s SER 26 N -4.00 6.40 0.30 1.61 0.01 -1.26 -0.61 113.70 116.16 1p5t s SER 26 Ca 0.00 0.38 -0.04 0.00 1.31 0.00 0.00 55.95 57.60 1p5t s SER 26 Cb 0.00 -2.01 -0.01 0.00 0.21 0.00 0.00 66.02 64.21 1p5t s SER 26 CO 0.00 0.22 0.42 -0.31 0.41 0.00 0.00 173.24 173.98 1p5t s TYR 27 N -1.40 0.97 -0.22 2.43 1.51 0.28 -4.97 117.35 115.94 1p5t s TYR 27 Ca 0.31 -1.21 -0.07 0.00 -1.01 0.00 0.00 57.07 55.09 1p5t s TYR 27 Cb -0.13 -0.13 -0.03 0.00 -0.11 0.00 0.00 41.96 41.56 1p5t s TYR 27 CO 0.21 -1.03 0.06 0.42 -1.11 0.00 0.00 175.55 174.11 1p5t s ILE 28 N -3.42 4.46 -0.19 2.71 -1.09 -1.04 0.87 121.20 123.49 1p5t s ILE 28 Ca 0.31 -0.13 -0.07 0.00 -2.23 0.00 0.00 60.65 58.52 1p5t s ILE 28 Cb 0.01 -3.05 -0.04 0.00 -1.58 0.00 0.00 42.46 37.80 1p5t s ILE 28 CO 0.17 0.39 0.06 -0.22 -1.23 0.00 0.00 174.94 174.10 1p5t s LEU 29 N 1.11 3.73 -0.14 2.97 2.96 -0.03 -0.41 118.68 128.87 1p5t s LEU 29 Ca 0.04 0.04 0.02 0.00 -0.22 0.00 0.00 54.13 54.00 1p5t s LEU 29 Cb -0.14 -1.95 0.00 0.00 0.50 0.00 0.00 46.19 44.60 1p5t s LEU 29 CO 0.03 0.15 -0.19 -0.60 -1.32 0.00 0.00 176.35 174.43 1p5t s ARG 30 N 0.49 3.14 -0.35 1.98 3.52 0.08 -1.06 118.95 126.74 1p5t s ARG 30 Ca 0.03 -0.80 -0.20 0.00 -0.13 0.00 0.00 55.73 54.63 1p5t s ARG 30 Cb -0.13 -2.52 0.00 0.00 -1.56 0.00 0.00 34.95 30.75 1p5t s ARG 30 CO 0.01 0.04 0.61 0.08 -0.81 0.00 0.00 175.30 175.24 1p5t s VAL 31 N 0.71 4.92 0.00 7.11 1.01 -0.07 -1.06 120.40 133.03 1p5t s VAL 31 Ca -0.08 0.56 0.00 0.00 0.00 0.00 0.00 61.98 62.46 1p5t s VAL 31 Cb -0.16 -4.05 0.00 0.00 0.00 0.00 0.00 36.38 32.17 1p5t s VAL 31 CO 0.01 -0.28 0.00 -0.62 0.00 0.00 0.00 175.10 174.21 1p5t n GLU 32 N 5.98 1.73 0.01 2.72 1.02 0.48 -3.14 120.64 129.43 1p5t n GLU 32 Ca -0.02 0.00 -0.06 0.00 -0.02 0.00 0.00 57.16 57.06 1p5t n GLU 32 Cb 0.49 0.00 0.13 0.00 -0.02 0.00 0.00 31.44 32.04 1p5t n GLU 32 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1p5t h ALA 33 N 0.57 0.92 0.00 0.62 0.00 -1.96 -3.35 119.26 116.06 1p5t h ALA 33 Ca 0.00 -0.43 0.00 0.00 0.00 0.00 0.00 54.91 54.48 1p5t h ALA 33 Cb 0.00 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.68 1p5t h ALA 33 CO 0.00 0.63 -0.03 -0.85 0.00 0.00 0.00 179.25 179.00 1p5t n GLU 34 N -4.04 1.02 -3.60 0.00 -0.00 -1.26 -4.68 120.64 108.09 1p5t n GLU 34 Ca -0.01 -0.93 -0.05 0.00 -0.00 0.00 0.00 57.16 56.17 1p5t n GLU 34 Cb 0.50 -0.70 -0.02 0.00 -0.00 0.00 0.00 31.44 31.23 1p5t n GLU 34 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 177.13 175.54 1p5t s LYS 35 N -0.42 0.80 -0.12 3.44 -2.85 -1.26 -1.27 119.74 118.06 1p5t s LYS 35 Ca 0.01 -0.36 -0.04 0.00 -1.00 0.00 0.00 55.97 54.57 1p5t s LYS 35 Cb 0.01 0.32 -0.04 0.00 -2.06 0.00 0.00 37.83 36.07 1p5t s LYS 35 CO 0.00 -0.36 0.05 -0.51 0.10 0.00 0.00 175.35 174.63 1p5t s LEU 36 N -2.61 3.83 0.02 2.77 1.43 -1.08 -0.39 118.68 122.65 1p5t s LEU 36 Ca 0.09 0.20 0.08 0.00 -1.03 0.00 0.00 54.13 53.47 1p5t s LEU 36 Cb -0.00 -1.91 -0.03 0.00 0.03 0.00 0.00 46.19 44.27 1p5t s LEU 36 CO -0.05 0.33 -0.25 -0.89 0.23 0.00 0.00 176.35 175.73 1p5t s THR 37 N -0.60 2.24 -0.16 5.49 2.01 -0.22 -1.74 115.64 122.67 1p5t s THR 37 Ca 0.11 -1.24 -0.05 0.00 0.31 0.00 0.00 61.69 60.82 1p5t s THR 37 Cb -0.12 -1.85 -0.03 0.00 0.01 0.00 0.00 72.50 70.51 1p5t s THR 37 CO 0.02 0.45 0.01 -0.22 -0.69 0.00 0.00 174.62 174.19 1p5t s LEU 38 N -1.03 3.53 0.21 4.42 2.96 0.31 -0.74 118.68 128.34 1p5t s LEU 38 Ca 0.11 -0.00 0.10 0.00 -0.22 0.00 0.00 54.13 54.12 1p5t s LEU 38 Cb -0.10 -1.86 -0.05 0.00 0.50 0.00 0.00 46.19 44.68 1p5t s LEU 38 CO 0.01 0.20 -0.18 -0.76 -1.32 0.00 0.00 176.35 174.30 1p5t s LEU 39 N 0.19 2.51 0.10 -0.68 1.02 0.45 0.14 118.68 122.41 1p5t s LEU 39 Ca 0.01 -0.95 -0.04 0.00 0.02 0.00 0.00 54.13 53.17 1p5t s LEU 39 Cb -0.13 -0.89 -0.03 0.00 0.02 0.00 0.00 46.19 45.16 1p5t s LEU 39 CO 0.02 -0.04 0.09 -0.89 0.02 0.00 0.00 176.35 175.55 1p5t s THR 40 N -2.39 0.14 0.18 5.49 2.01 -0.56 -2.50 115.64 118.01 1p5t s THR 40 Ca 0.22 -1.66 -0.31 0.00 0.31 0.00 0.00 61.69 60.25 1p5t s THR 40 Cb -0.04 -1.71 -0.09 0.00 0.01 0.00 0.00 72.50 70.66 1p5t s THR 40 CO 0.09 -0.65 1.44 -0.76 -0.69 0.00 0.00 174.62 174.06 1p5t s LEU 41 N -2.96 4.38 0.32 4.42 1.43 -1.26 -0.81 118.68 124.20 1p5t s LEU 41 Ca 0.14 2.51 -0.29 0.00 -1.03 0.00 0.00 54.13 55.46 1p5t s LEU 41 Cb 0.06 -3.60 -0.10 0.00 0.03 0.00 0.00 46.19 42.58 1p5t s LEU 41 CO -0.05 -0.70 1.35 -0.83 0.23 0.00 0.00 176.35 176.35 1p5t s GLY 42 N 0.82 2.90 0.25 -3.19 0.00 0.17 -4.86 107.32 103.40 1p5t s GLY 42 Ca 0.64 1.31 -0.03 0.00 0.00 0.00 0.00 44.72 46.63 1p5t s GLY 42 CO 0.35 2.00 1.75 0.00 0.00 0.00 0.00 173.10 177.21 1p5t h ALA 43 N 3.58 1.07 0.00 3.20 0.00 -1.91 0.79 119.26 125.99 1p5t h ALA 43 Ca -0.49 -0.26 0.00 0.00 0.00 0.00 0.00 54.91 54.17 1p5t h ALA 43 Cb 1.23 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 18.80 1p5t h ALA 43 CO 0.67 0.59 -0.33 0.94 0.00 0.00 0.00 179.25 181.12 1p5t n GLN 44 N -4.22 0.29 0.21 0.00 -0.06 -1.26 -4.47 117.38 107.87 1p5t n GLN 44 Ca 0.03 0.42 0.14 0.00 -2.00 0.00 0.00 57.00 55.60 1p5t n GLN 44 Cb 0.29 -1.35 0.78 0.00 -4.06 0.00 0.00 30.24 25.89 1p5t n GLN 44 CO 0.00 0.00 0.00 0.66 -0.20 0.00 0.00 177.06 177.52 1p5t h SER 45 N -0.64 0.00 -3.55 1.69 4.64 -1.97 -3.46 113.55 110.26 1p5t h SER 45 Ca 0.00 0.00 -0.33 0.00 -0.47 0.00 0.00 61.79 60.99 1p5t h SER 45 Cb 0.33 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.41 1p5t h SER 45 CO 0.00 0.00 -0.44 1.67 -0.87 0.00 0.00 176.83 177.19 1p5t n GLN 46 N -4.10 -2.16 -4.32 4.77 -0.06 0.27 -4.89 117.38 106.89 1p5t n GLN 46 Ca 0.00 0.79 -0.16 0.00 -2.00 0.00 0.00 57.00 55.63 1p5t n GLN 46 Cb 0.24 -5.44 -0.10 0.00 -4.06 0.00 0.00 30.24 20.87 1p5t n GLN 46 CO 0.00 0.00 0.00 0.96 -0.20 0.00 0.00 177.06 177.82 1p5t s ILE 47 N -2.84 0.79 0.19 1.69 -4.36 -1.26 -4.77 121.20 110.64 1p5t s ILE 47 Ca 0.03 -2.01 -0.30 0.00 -0.26 0.00 0.00 60.65 58.11 1p5t s ILE 47 Cb -0.01 -2.44 -0.09 0.00 1.25 0.00 0.00 42.46 41.16 1p5t s ILE 47 CO 0.04 -0.21 1.38 -0.76 0.24 0.00 0.00 174.94 175.63 1p5t s LEU 48 N -3.29 4.39 0.02 0.37 1.02 -1.26 0.44 118.68 120.37 1p5t s LEU 48 Ca 0.32 2.47 0.00 0.00 0.02 0.00 0.00 54.13 56.94 1p5t s LEU 48 Cb 0.07 -3.61 -0.02 0.00 0.02 0.00 0.00 46.19 42.66 1p5t s LEU 48 CO 0.10 -0.62 -0.03 -1.83 0.02 0.00 0.00 176.35 173.99 1p5t s GLU 49 N 0.18 0.28 0.36 1.70 -1.05 0.01 -4.85 118.70 115.33 1p5t s GLU 49 Ca 0.60 -0.51 -0.28 0.00 -0.15 0.00 0.00 54.97 54.63 1p5t s GLU 49 Cb -0.38 0.04 -0.11 0.00 -0.44 0.00 0.00 34.13 33.23 1p5t s GLU 49 CO 0.37 -0.03 1.45 -2.30 0.95 0.00 0.00 175.26 175.70 1p5t n PRO 50 N 1.88 2.53 -0.04 -4.83 -0.02 -1.26 -1.50 135.00 131.75 1p5t n PRO 50 Ca -0.22 0.89 -0.07 0.00 -2.02 0.00 0.00 63.50 62.09 1p5t n PRO 50 Cb 0.56 -2.59 -0.04 0.00 -0.02 0.00 0.00 33.50 31.41 1p5t n PRO 50 CO 0.00 0.00 0.00 -0.11 1.98 0.00 0.00 175.50 177.37 1p5t n LEU 51 N 0.71 2.61 -3.81 2.45 7.94 0.37 -4.84 117.00 122.43 1p5t n LEU 51 Ca 0.03 -0.02 -0.12 0.00 -1.11 0.00 0.00 56.01 54.79 1p5t n LEU 51 Cb 0.38 -0.29 -0.11 0.00 0.53 0.00 0.00 43.42 43.92 1p5t n LEU 51 CO 0.63 0.57 -0.12 -0.76 -1.11 0.00 0.00 177.39 176.61 1p5t s LEU 52 N -5.66 1.23 -0.02 -1.96 1.43 -0.94 -4.95 118.68 107.81 1p5t s LEU 52 Ca -0.12 0.21 0.04 0.00 -1.03 0.00 0.00 54.13 53.24 1p5t s LEU 52 Cb 0.03 0.80 -0.03 0.00 0.03 0.00 0.00 46.19 47.03 1p5t s LEU 52 CO 0.19 -0.21 -0.13 -0.36 0.23 0.00 0.00 176.35 176.07 1p5t s PHE 53 N -0.50 2.71 -0.41 0.29 2.99 -1.26 -0.53 117.98 121.27 1p5t s PHE 53 Ca -0.06 -0.15 0.02 0.00 0.00 0.00 0.00 56.93 56.74 1p5t s PHE 53 Cb -0.04 -1.59 0.14 0.00 0.00 0.00 0.00 43.02 41.54 1p5t s PHE 53 CO 0.01 0.24 0.25 -1.58 -0.00 0.00 0.00 175.22 174.15 1p5t s TRP 54 N -0.83 1.41 0.16 0.36 0.51 -0.71 -4.18 118.94 115.65 1p5t s TRP 54 Ca 0.13 -2.13 -0.34 0.00 -2.12 0.00 0.00 56.10 51.65 1p5t s TRP 54 Cb -0.11 -1.39 -0.14 0.00 -0.81 0.00 0.00 33.47 31.02 1p5t s TRP 54 CO 0.03 -0.80 1.54 -2.30 -0.51 0.00 0.00 176.95 174.91 1p5t n PRO 55 N 3.57 2.02 -0.23 4.98 -0.02 -1.26 -2.63 135.00 141.43 1p5t n PRO 55 Ca 0.14 0.73 0.03 0.00 -2.02 0.00 0.00 63.50 62.38 1p5t n PRO 55 Cb 0.37 -2.47 0.14 0.00 -0.02 0.00 0.00 33.50 31.52 1p5t n PRO 55 CO 0.00 0.00 0.00 1.88 1.98 0.00 0.00 175.50 179.36 1p5t h TYR 56 N 5.66 0.05 0.00 6.00 0.99 -1.54 0.78 116.97 128.90 1p5t h TYR 56 Ca -0.45 0.05 0.00 0.00 2.00 0.00 0.00 58.73 60.33 1p5t h TYR 56 Cb 1.26 0.09 0.00 0.00 1.00 0.00 0.00 36.73 39.08 1p5t h TYR 56 CO 0.62 -0.16 0.00 0.25 -0.00 0.00 0.00 178.16 178.86 1p5t n THR 57 N -5.26 0.79 0.07 -2.88 -2.24 -1.26 -1.18 114.28 102.33 1p5t n THR 57 Ca 0.12 0.20 0.04 0.00 -2.27 0.00 0.00 64.05 62.13 1p5t n THR 57 Cb 0.42 -1.19 0.07 0.00 -2.10 0.00 0.00 70.33 67.53 1p5t n THR 57 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 1p5t n LEU 58 N -1.20 2.14 -4.86 3.22 4.77 0.26 -4.98 117.00 116.34 1p5t n LEU 58 Ca 0.00 -1.54 -0.37 0.00 -0.03 0.00 0.00 56.01 54.07 1p5t n LEU 58 Cb 0.00 -0.08 -0.06 0.00 -2.33 0.00 0.00 43.42 40.95 1p5t n LEU 58 CO 0.01 0.50 -0.05 -0.76 -1.33 0.00 0.00 177.39 175.75 1p5t s LEU 59 N -0.81 4.43 0.09 2.23 1.43 -0.32 -0.83 118.68 124.88 1p5t s LEU 59 Ca 0.12 0.68 -0.03 0.00 -1.03 0.00 0.00 54.13 53.87 1p5t s LEU 59 Cb 0.07 -2.30 -0.26 0.00 0.03 0.00 0.00 46.19 43.73 1p5t s LEU 59 CO 0.10 0.37 1.17 0.03 0.23 0.00 0.00 176.35 178.25 1p5t h ARG 60 N 4.85 0.24 -1.41 1.70 3.08 -1.09 -3.46 114.38 118.30 1p5t h ARG 60 Ca -0.54 -0.40 0.28 0.00 0.07 0.00 0.00 59.98 59.40 1p5t h ARG 60 Cb 1.23 0.15 -0.18 0.00 0.08 0.00 0.00 29.97 31.25 1p5t h ARG 60 CO 0.60 1.18 0.84 -0.98 -1.07 0.00 0.00 179.97 180.54 1p5t s ARG 61 N -2.70 0.28 0.02 0.04 1.70 -1.25 -5.00 118.95 112.05 1p5t s ARG 61 Ca -0.03 -0.12 -0.16 0.00 -0.47 0.00 0.00 55.73 54.94 1p5t s ARG 61 Cb 0.08 0.12 0.03 0.00 -0.57 0.00 0.00 34.95 34.60 1p5t s ARG 61 CO 0.87 -0.13 0.36 1.52 -1.08 0.00 0.00 175.30 176.85 1p5t s TYR 62 N -2.36 -0.21 0.17 5.89 -0.85 -1.26 -0.59 117.35 118.14 1p5t s TYR 62 Ca 0.11 0.19 -0.08 0.00 -0.52 0.00 0.00 57.07 56.78 1p5t s TYR 62 Cb 0.00 0.15 0.03 0.00 0.38 0.00 0.00 41.96 42.53 1p5t s TYR 62 CO -0.04 -0.50 0.39 0.41 -1.52 0.00 0.00 175.55 174.29 1p5t n GLY 63 N 0.75 1.42 3.64 5.49 0.00 0.12 -4.97 105.19 111.63 1p5t n GLY 63 Ca -0.19 -1.11 -0.05 0.00 0.00 0.00 0.00 46.02 44.67 1p5t n GLY 63 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1p5t s ARG 64 N -2.04 0.95 0.20 1.61 1.04 -1.26 -1.64 118.95 117.82 1p5t s ARG 64 Ca 0.08 -0.46 -0.02 0.00 -1.04 0.00 0.00 55.73 54.29 1p5t s ARG 64 Cb -0.02 0.36 0.01 0.00 -2.04 0.00 0.00 34.95 33.26 1p5t s ARG 64 CO 0.05 -0.43 0.30 -0.40 -0.04 0.00 0.00 175.30 174.78 1p5t n ASP 65 N -0.37 -0.83 0.00 -2.89 5.68 -1.26 -4.97 116.55 111.92 1p5t n ASP 65 Ca -0.07 -2.05 0.07 0.00 -0.50 0.00 0.00 54.79 52.23 1p5t n ASP 65 Cb 0.61 1.52 0.37 0.00 -1.14 0.00 0.00 41.12 42.48 1p5t n ASP 65 CO 0.00 0.00 0.00 0.29 -1.33 0.00 0.00 177.20 176.16 1p5t n LYS 66 N -0.32 0.29 -0.00 0.11 5.02 -1.26 -4.23 118.16 117.77 1p5t n LYS 66 Ca -0.00 0.09 0.01 0.00 -2.02 0.00 0.00 58.31 56.39 1p5t n LYS 66 Cb 0.33 -1.50 -0.01 0.00 -0.02 0.00 0.00 35.03 33.83 1p5t n LYS 66 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 1p5t n VAL 67 N -1.16 0.00 -3.84 -0.18 0.31 -1.26 -4.48 118.33 107.71 1p5t n VAL 67 Ca 0.08 -0.35 -0.12 0.00 -0.01 0.00 0.00 64.34 63.93 1p5t n VAL 67 Cb 0.08 0.86 -0.14 0.00 -0.91 0.00 0.00 33.84 33.74 1p5t n VAL 67 CO 0.00 0.00 0.00 0.12 -1.32 0.00 0.00 176.83 175.63 1p5t s PHE 69 N -1.41 -0.06 -0.04 3.52 5.36 -0.09 -1.06 117.98 124.21 1p5t s PHE 69 Ca 0.00 0.16 -0.20 0.00 -0.96 0.00 0.00 56.93 55.93 1p5t s PHE 69 Cb 0.01 -0.01 0.04 0.00 -0.34 0.00 0.00 43.02 42.72 1p5t s PHE 69 CO 0.07 -0.04 0.44 0.45 -1.46 0.00 0.00 175.22 174.68 1p5t s SER 70 N 0.18 -0.36 0.17 6.13 0.15 -0.65 -0.01 113.70 119.31 1p5t s SER 70 Ca -0.01 0.36 -0.13 0.00 0.70 0.00 0.00 55.95 56.87 1p5t s SER 70 Cb -0.02 0.45 0.01 0.00 -1.71 0.00 0.00 66.02 64.74 1p5t s SER 70 CO -0.01 -0.47 0.39 0.72 1.20 0.00 0.00 173.24 175.08 1p5t s PHE 71 N -1.12 0.14 -0.30 3.44 -0.12 -0.26 0.12 117.98 119.87 1p5t s PHE 71 Ca -0.11 -0.50 0.02 0.00 -0.05 0.00 0.00 56.93 56.28 1p5t s PHE 71 Cb -0.03 0.15 0.07 0.00 -0.63 0.00 0.00 43.02 42.58 1p5t s PHE 71 CO 0.06 -0.80 -0.02 -2.00 -0.05 0.00 0.00 175.22 172.41 1p5t s GLU 72 N -3.92 2.05 0.29 1.99 2.12 0.24 -0.43 118.70 121.04 1p5t s GLU 72 Ca 0.13 -1.52 -0.29 0.00 0.36 0.00 0.00 54.97 53.65 1p5t s GLU 72 Cb 0.01 -3.10 -0.10 0.00 0.26 0.00 0.00 34.13 31.21 1p5t s GLU 72 CO -0.02 -0.73 1.25 0.00 -0.54 0.00 0.00 175.26 175.23 1p5t s ALA 73 N 1.08 3.48 0.82 6.30 0.00 0.14 -0.49 121.76 133.09 1p5t s ALA 73 Ca -0.01 1.13 -0.07 0.00 0.00 0.00 0.00 51.96 53.01 1p5t s ALA 73 Cb -0.20 -3.44 0.16 0.00 0.00 0.00 0.00 23.12 19.64 1p5t s ALA 73 CO -0.05 -0.49 1.13 0.20 0.00 0.00 0.00 175.76 176.55 1p5t s GLY 74 N -0.42 1.77 0.20 0.00 0.00 -0.01 -0.46 107.32 108.40 1p5t s GLY 74 Ca 0.49 -1.51 -0.14 0.00 0.00 0.00 0.00 44.72 43.56 1p5t s GLY 74 CO 0.47 -0.87 1.65 3.21 0.00 0.00 0.00 173.10 177.56 1p5t h ARG 75 N -0.98 0.03 0.00 2.90 3.08 -1.88 -2.41 114.38 115.13 1p5t h ARG 75 Ca -0.40 -0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.65 1p5t h ARG 75 Cb 1.25 -0.01 0.00 0.00 0.08 0.00 0.00 29.97 31.30 1p5t h ARG 75 CO 0.39 0.02 0.00 0.54 -1.07 0.00 0.00 179.97 179.86 1p5t n ARG 76 N -5.35 0.26 -2.36 0.04 1.74 -1.26 -4.06 116.66 105.66 1p5t n ARG 76 Ca 0.06 0.12 -0.38 0.00 -0.77 0.00 0.00 57.85 56.88 1p5t n ARG 76 Cb 0.30 -1.50 -0.03 0.00 -1.02 0.00 0.00 32.46 30.22 1p5t n ARG 76 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1p5t h PRO 78 N 2.75 0.00 0.00 0.00 0.11 -1.87 0.25 132.00 133.23 1p5t h PRO 78 Ca -0.48 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.63 1p5t h PRO 78 Cb 1.23 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.34 1p5t h PRO 78 CO 0.63 0.00 -0.13 -1.13 -0.21 0.00 0.00 178.00 177.16 1p5t n SER 79 N -4.15 0.77 0.00 -2.05 3.41 -1.26 -5.04 113.62 105.29 1p5t n SER 79 Ca 0.17 0.48 0.00 0.00 -0.26 0.00 0.00 58.87 59.26 1p5t n SER 79 Cb 0.92 -0.59 0.00 0.00 -0.26 0.00 0.00 64.21 64.28 1p5t n SER 79 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1p5t n GLY 80 N 1.32 0.37 3.74 5.00 0.00 0.88 -4.87 105.19 111.62 1p5t n GLY 80 Ca 0.05 -1.82 -0.31 0.00 0.00 0.00 0.00 46.02 43.94 1p5t n GLY 80 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1p5t s PRO 81 N -2.19 1.84 0.00 1.61 0.04 -1.19 -4.68 135.00 130.43 1p5t s PRO 81 Ca 0.00 1.15 0.00 0.00 0.04 0.00 0.00 61.00 62.19 1p5t s PRO 81 Cb 0.00 -1.85 0.00 0.00 0.04 0.00 0.00 34.50 32.69 1p5t s PRO 81 CO 0.00 -1.93 0.00 0.41 0.04 0.00 0.00 177.00 175.52 1p5t n GLY 82 N -0.96 2.11 3.79 0.56 0.00 0.40 -4.80 105.19 106.28 1p5t n GLY 82 Ca 0.09 -2.02 -0.38 0.00 0.00 0.00 0.00 46.02 43.70 1p5t n GLY 82 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1p5t s THR 83 N -1.59 4.89 -0.11 2.61 2.01 -1.26 0.23 115.64 122.42 1p5t s THR 83 Ca 0.00 1.13 0.03 0.00 0.31 0.00 0.00 61.69 63.16 1p5t s THR 83 Cb 0.00 -3.86 0.01 0.00 0.01 0.00 0.00 72.50 68.65 1p5t s THR 83 CO 0.00 0.50 -0.20 -0.36 -0.69 0.00 0.00 174.62 173.87 1p5t s PHE 84 N -0.67 2.26 -0.05 4.92 0.40 0.43 -4.32 117.98 120.95 1p5t s PHE 84 Ca 0.28 -1.00 0.02 0.00 -0.60 0.00 0.00 56.93 55.63 1p5t s PHE 84 Cb -0.18 -1.56 0.01 0.00 0.51 0.00 0.00 43.02 41.80 1p5t s PHE 84 CO 0.17 -0.45 -0.10 0.99 0.70 0.00 0.00 175.22 176.52 1p5t s THR 85 N 0.66 0.91 -0.06 0.64 2.01 -1.26 -1.11 115.64 117.42 1p5t s THR 85 Ca -0.13 -0.38 0.03 0.00 0.31 0.00 0.00 61.69 61.52 1p5t s THR 85 Cb -0.16 -0.84 0.01 0.00 0.01 0.00 0.00 72.50 71.52 1p5t s THR 85 CO 0.03 0.30 -0.14 -0.36 -0.69 0.00 0.00 174.62 173.76 1p5t s PHE 86 N 0.54 1.58 0.37 4.92 0.40 0.99 -0.76 117.98 126.01 1p5t s PHE 86 Ca -0.10 -0.56 -0.26 0.00 -0.60 0.00 0.00 56.93 55.41 1p5t s PHE 86 Cb -0.13 -1.13 -0.09 0.00 0.51 0.00 0.00 43.02 42.18 1p5t s PHE 86 CO 0.02 -0.26 1.12 -1.14 0.70 0.00 0.00 175.22 175.66 1p5t s GLN 87 N 0.51 4.22 0.00 0.44 2.00 0.13 -0.91 119.66 126.05 1p5t s GLN 87 Ca -0.13 1.75 0.00 0.00 -2.00 0.00 0.00 55.36 54.98 1p5t s GLN 87 Cb -0.15 -2.76 0.00 0.00 0.80 0.00 0.00 33.01 30.90 1p5t s GLN 87 CO 0.04 -0.15 0.00 -2.37 -0.50 0.00 0.00 175.29 172.31 1p5t n THR 88 N 0.29 0.00 1.20 -0.34 5.66 -0.22 -2.68 114.28 118.18 1p5t n THR 88 Ca 0.03 0.00 0.12 0.00 -3.05 0.00 0.00 64.05 61.16 1p5t n THR 88 Cb 0.47 0.00 0.37 0.00 -1.55 0.00 0.00 70.33 69.62 1p5t n THR 88 CO 0.00 0.00 0.00 -1.54 -3.05 0.00 0.00 175.07 170.48 1p5t n SER 89 N 0.00 2.05 -1.87 1.09 3.41 -1.26 -4.04 113.62 112.99 1p5t n SER 89 Ca 0.00 -1.71 -0.14 0.00 -0.26 0.00 0.00 58.87 56.77 1p5t n SER 89 Cb 0.00 -0.06 0.22 0.00 -0.26 0.00 0.00 64.21 64.11 1p5t n SER 89 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1p5t n GLN 90 N 0.58 2.53 -0.18 4.33 6.02 -1.26 -4.71 117.38 124.69 1p5t n GLN 90 Ca 0.17 -3.07 -0.00 0.00 -0.01 0.00 0.00 57.00 54.09 1p5t n GLN 90 Cb 0.42 -2.09 0.09 0.00 1.02 0.00 0.00 30.24 29.68 1p5t n GLN 90 CO 0.00 0.00 0.00 0.78 -1.01 0.00 0.00 177.06 176.83 1p5t h GLY 91 N 1.43 0.71 1.10 1.08 0.00 -1.74 -1.59 103.07 104.06 1p5t h GLY 91 Ca 0.43 -0.03 -0.04 0.00 0.00 0.00 0.00 47.33 47.68 1p5t h GLY 91 CO 0.82 -0.09 0.31 -0.57 0.00 0.00 0.00 176.54 177.01 1p5t h ASN 92 N 0.26 1.06 -0.77 0.19 -0.00 -1.84 -0.73 115.58 113.75 1p5t h ASN 92 Ca 0.29 -0.16 0.01 0.00 -0.00 0.00 0.00 56.30 56.44 1p5t h ASN 92 Cb 0.41 -0.27 -0.04 0.00 -0.00 0.00 0.00 38.32 38.42 1p5t h ASN 92 CO -0.37 0.94 0.51 0.44 -0.00 0.00 0.00 177.43 178.95 1p5t h ASP 93 N 1.12 0.88 -0.37 1.15 3.32 -1.68 0.67 116.42 121.51 1p5t h ASP 93 Ca 0.26 -0.02 -0.13 0.00 0.02 0.00 0.00 57.03 57.16 1p5t h ASP 93 Cb 0.21 -0.22 -0.01 0.00 0.22 0.00 0.00 39.33 39.53 1p5t h ASP 93 CO -0.02 0.64 -0.27 0.40 -1.72 0.00 0.00 179.24 178.27 1p5t h ILE 94 N 1.04 1.28 -0.81 0.35 2.04 -1.10 -1.87 117.51 118.45 1p5t h ILE 94 Ca 0.28 -1.42 -0.02 0.00 1.00 0.00 0.00 64.86 64.71 1p5t h ILE 94 Cb -0.11 1.38 -0.04 0.00 -0.74 0.00 0.00 36.82 37.31 1p5t h ILE 94 CO -0.07 0.47 0.44 0.15 0.00 0.00 0.00 178.15 179.14 1p5t h PHE 95 N 0.64 1.11 -0.14 1.37 3.57 -0.49 -0.51 116.94 122.49 1p5t h PHE 95 Ca 0.07 -0.03 -0.00 0.00 3.53 0.00 0.00 57.97 61.54 1p5t h PHE 95 Cb 0.84 -0.35 -0.01 0.00 2.79 0.00 0.00 35.95 39.22 1p5t h PHE 95 CO 0.06 0.78 0.07 1.96 -2.23 0.00 0.00 178.31 178.95 1p5t h GLN 96 N 1.12 0.20 -0.26 1.11 4.20 0.48 -1.47 115.11 120.50 1p5t h GLN 96 Ca 0.28 -0.03 -0.08 0.00 0.06 0.00 0.00 58.65 58.89 1p5t h GLN 96 Cb 0.04 -0.04 -0.01 0.00 0.30 0.00 0.00 27.48 27.77 1p5t h GLN 96 CO -0.04 0.24 -0.17 0.00 -0.67 0.00 0.00 178.83 178.19 1p5t h ALA 97 N 0.94 1.23 -0.29 3.87 0.00 -1.03 -0.72 119.26 123.27 1p5t h ALA 97 Ca 0.05 -0.29 -0.15 0.00 0.00 0.00 0.00 54.91 54.52 1p5t h ALA 97 Cb 0.11 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 17.77 1p5t h ALA 97 CO -0.01 0.50 -0.42 0.28 0.00 0.00 0.00 179.25 179.61 1p5t h VAL 98 N 0.41 1.29 -0.38 0.00 2.07 -1.00 -2.40 116.25 116.25 1p5t h VAL 98 Ca 0.07 -1.60 -0.02 0.00 0.82 0.00 0.00 66.70 65.97 1p5t h VAL 98 Cb 0.54 1.62 -0.02 0.00 -1.52 0.00 0.00 31.29 31.91 1p5t h VAL 98 CO 0.03 0.52 0.17 -0.08 0.02 0.00 0.00 177.57 178.23 1p5t h GLU 99 N 0.55 0.55 -0.12 1.57 4.81 -0.95 -2.27 114.58 118.73 1p5t h GLU 99 Ca 0.03 -0.09 -0.09 0.00 -0.13 0.00 0.00 59.36 59.08 1p5t h GLU 99 Cb 1.01 -0.09 -0.01 0.00 0.63 0.00 0.00 28.75 30.29 1p5t h GLU 99 CO 0.10 0.51 -0.35 0.00 -0.73 0.00 0.00 179.01 178.54 1p5t h ALA 100 N 1.02 1.20 -0.34 2.92 0.00 -1.11 -2.13 119.26 120.82 1p5t h ALA 100 Ca 0.13 -0.37 -0.02 0.00 0.00 0.00 0.00 54.91 54.66 1p5t h ALA 100 Cb 0.15 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.83 1p5t h ALA 100 CO -0.01 0.54 0.15 0.00 0.00 0.00 0.00 179.25 179.93 1p5t h ALA 101 N 1.44 0.44 -0.16 0.00 0.00 -1.24 -0.43 119.26 119.31 1p5t h ALA 101 Ca 0.03 -0.11 -0.02 0.00 0.00 0.00 0.00 54.91 54.80 1p5t h ALA 101 Cb 0.72 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.36 1p5t h ALA 101 CO 0.05 0.02 0.03 0.82 0.00 0.00 0.00 179.25 180.17 1p5t h ILE 102 N 0.41 1.22 -0.01 0.00 2.04 -1.31 0.30 117.51 120.16 1p5t h ILE 102 Ca 0.12 -0.72 -0.00 0.00 1.00 0.00 0.00 64.86 65.26 1p5t h ILE 102 Cb 0.14 1.38 -0.00 0.00 -0.74 0.00 0.00 36.82 37.61 1p5t h ILE 102 CO -0.01 0.22 0.00 0.06 0.00 0.00 0.00 178.15 178.42 1p5t h GLN 103 N 0.06 0.02 -0.69 2.37 3.07 -1.33 0.78 115.11 119.39 1p5t h GLN 103 Ca 0.05 -0.00 0.13 0.00 0.09 0.00 0.00 58.65 58.92 1p5t h GLN 103 Cb 0.30 -0.00 -0.09 0.00 0.08 0.00 0.00 27.48 27.77 1p5t h GLN 103 CO 0.00 0.24 0.21 1.96 0.09 0.00 0.00 178.83 181.33 1p5t h GLN 104 N -0.20 0.33 -0.14 0.06 4.20 -1.01 -0.11 115.11 118.24 1p5t h GLN 104 Ca 0.00 -0.02 -0.01 0.00 0.06 0.00 0.00 58.65 58.69 1p5t h GLN 104 Cb 0.22 -0.07 -0.01 0.00 0.30 0.00 0.00 27.48 27.92 1p5t h GLN 104 CO -0.00 0.22 0.05 0.37 -0.67 0.00 0.00 178.83 178.80 1p5t h GLN 105 N 0.34 0.21 0.00 1.46 4.15 0.24 -2.42 115.11 119.09 1p5t h GLN 105 Ca 0.37 -0.04 -0.01 0.00 0.77 0.00 0.00 58.65 59.74 1p5t h GLN 105 Cb 0.58 -0.03 -0.00 0.00 0.21 0.00 0.00 27.48 28.23 1p5t h GLN 105 CO -0.42 0.32 -0.05 0.87 -1.93 0.00 0.00 178.83 177.62 1p5t h LYS 106 N 0.06 0.00 -1.76 1.69 1.57 0.18 -2.37 116.57 115.95 1p5t h LYS 106 Ca 0.05 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.83 1p5t h LYS 106 Cb 0.19 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.50 1p5t h LYS 106 CO -0.00 0.05 0.00 0.00 -0.57 0.00 0.00 179.45 178.92 1p5t n ALA 107 N -2.51 2.51 0.00 3.86 0.00 -0.17 -4.54 120.51 119.65 1p5t n ALA 107 Ca -0.03 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.41 1p5t n ALA 107 Cb 0.13 -1.25 0.00 0.00 0.00 0.00 0.00 19.45 18.33 1p5t n ALA 107 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.50 178.44 1p5t n GLN 108 N 1.28 0.00 0.00 0.00 7.27 -0.96 -3.57 117.38 121.40 1p5t n GLN 108 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 57.00 57.07 1p5t n GLN 108 Cb 0.27 -3.05 0.00 0.00 2.41 0.00 0.00 30.24 29.88 1p5t n GLN 108 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 1p5t n GLY 109 N -1.64 1.81 0.00 1.69 0.00 -0.92 -4.97 105.19 101.15 1p5t n GLY 109 Ca 0.00 -0.30 0.00 0.00 0.00 0.00 0.00 46.02 45.72 1p5t n GLY 109 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49