#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1vsa s VAL 6 N 0.00 -0.04 0.00 -1.45 1.01 -1.26 -5.17 120.40 113.50 1vsa s VAL 6 Ca 0.00 0.14 0.00 0.00 0.00 0.00 0.00 61.98 62.12 1vsa s VAL 6 Cb 0.00 -0.13 0.00 0.00 0.00 0.00 0.00 36.38 36.25 1vsa s VAL 6 CO 0.00 0.06 0.00 -2.65 0.00 0.00 0.00 175.10 172.51 1vsa n PRO 7 N 3.83 2.92 0.00 2.72 -0.02 -1.26 -5.12 135.00 138.06 1vsa n PRO 7 Ca -0.22 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.26 1vsa n PRO 7 Cb 0.54 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 34.02 1vsa n PRO 7 CO 0.00 0.00 0.00 1.17 1.98 0.00 0.00 175.50 178.65 1vsa n LYS 8 N 0.00 0.00 0.00 -0.52 4.81 -1.26 -5.18 118.16 116.01 1vsa n LYS 8 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.44 1vsa n LYS 8 Cb 0.00 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.05 1vsa n LYS 8 CO 0.00 0.00 0.00 1.63 1.17 0.00 0.00 177.40 180.20 1vsa n LYS 9 N 0.00 0.00 -3.76 1.64 4.76 -1.26 -5.18 118.16 114.36 1vsa n LYS 9 Ca 0.00 0.00 -0.13 0.00 -2.87 0.00 0.00 58.31 55.31 1vsa n LYS 9 Cb 0.00 0.00 -0.13 0.00 -1.84 0.00 0.00 35.03 33.06 1vsa n LYS 9 CO 0.00 0.00 0.00 0.21 -1.37 0.00 0.00 177.40 176.24 1vsa s LYS 10 N 3.63 0.19 0.46 1.97 2.20 -1.26 -5.15 119.74 121.78 1vsa s LYS 10 Ca 0.00 0.42 -0.23 0.00 -0.36 0.00 0.00 55.97 55.80 1vsa s LYS 10 Cb 0.00 -0.06 -0.09 0.00 -1.51 0.00 0.00 37.83 36.17 1vsa s LYS 10 CO 0.00 -0.12 1.00 0.25 -0.36 0.00 0.00 175.35 176.12 1vsa n THR 11 N 3.84 2.69 -3.89 3.43 -2.24 -1.26 -5.00 114.28 111.84 1vsa n THR 11 Ca -0.22 -0.50 -0.36 0.00 -2.27 0.00 0.00 64.05 60.71 1vsa n THR 11 Cb 0.54 -1.17 -0.11 0.00 -2.10 0.00 0.00 70.33 67.49 1vsa n THR 11 CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 1vsa s SER 12 N -0.84 5.36 0.45 3.42 0.01 -1.26 -5.00 113.70 115.84 1vsa s SER 12 Ca 0.66 -0.08 0.21 0.00 1.31 0.00 0.00 55.95 58.05 1vsa s SER 12 Cb -0.52 -1.94 1.08 0.00 0.21 0.00 0.00 66.02 64.85 1vsa s SER 12 CO 0.55 0.06 1.94 0.11 0.41 0.00 0.00 173.24 176.31 1vsa h LYS 13 N 7.56 0.00 0.15 12.44 1.57 -1.98 -2.89 116.57 133.42 1vsa h LYS 13 Ca -0.37 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.42 1vsa h LYS 13 Cb 1.18 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 33.45 1vsa h LYS 13 CO 0.62 0.23 -0.40 0.00 -0.57 0.00 0.00 179.45 179.33 1vsa h ALA 14 N 1.77 -0.93 0.00 3.86 0.00 -2.02 0.76 119.26 122.70 1vsa h ALA 14 Ca -0.00 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.81 1vsa h ALA 14 Cb 0.52 0.76 0.00 0.00 0.00 0.00 0.00 17.79 19.07 1vsa h ALA 14 CO 0.03 -1.01 0.05 0.54 0.00 0.00 0.00 179.25 178.85 1vsa n ARG 15 N -4.75 0.03 0.00 0.00 3.00 -1.17 -2.78 116.66 110.98 1vsa n ARG 15 Ca -0.07 0.49 0.00 0.00 -0.01 0.00 0.00 57.85 58.26 1vsa n ARG 15 Cb 0.32 -1.64 0.00 0.00 0.00 0.00 0.00 32.46 31.14 1vsa n ARG 15 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.63 175.50 1vsa n ARG 16 N -1.62 0.00 0.27 5.56 0.63 0.26 -2.94 116.66 118.82 1vsa n ARG 16 Ca -0.00 0.27 0.16 0.00 -0.92 0.00 0.00 57.85 57.35 1vsa n ARG 16 Cb 0.05 -1.12 0.65 0.00 0.45 0.00 0.00 32.46 32.50 1vsa n ARG 16 CO 0.00 0.00 0.00 0.22 -2.51 0.00 0.00 177.63 175.34 1vsa h ASP 17 N 0.00 0.00 0.00 6.15 1.82 -1.45 -3.29 116.42 119.65 1vsa h ASP 17 Ca 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.64 1vsa h ASP 17 Cb 0.00 0.00 0.00 0.00 0.68 0.00 0.00 39.33 40.01 1vsa h ASP 17 CO 0.00 0.05 0.00 0.00 -1.61 0.00 0.00 179.24 177.68 1vsa n ALA 18 N -2.12 0.00 0.21 -0.78 0.00 -1.12 -2.04 120.51 114.67 1vsa n ALA 18 Ca 0.00 0.00 0.02 0.00 0.00 0.00 0.00 53.44 53.46 1vsa n ALA 18 Cb 0.33 0.12 0.11 0.00 0.00 0.00 0.00 19.45 20.00 1vsa n ALA 18 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 177.50 180.39 1vsa n ARG 19 N -0.56 0.08 -0.36 0.00 1.85 -1.15 -2.57 116.66 113.94 1vsa n ARG 19 Ca 0.00 0.16 0.08 0.00 -1.00 0.00 0.00 57.85 57.09 1vsa n ARG 19 Cb 0.00 -1.50 0.23 0.00 -1.05 0.00 0.00 32.46 30.14 1vsa n ARG 19 CO 0.00 0.00 0.00 0.54 -0.01 0.00 0.00 177.63 178.16 1vsa n ARG 20 N -1.19 2.78 0.13 2.89 1.74 -0.86 -4.47 116.66 117.69 1vsa n ARG 20 Ca 0.02 -2.68 0.01 0.00 -0.77 0.00 0.00 57.85 54.44 1vsa n ARG 20 Cb 0.03 -1.71 0.02 0.00 -1.02 0.00 0.00 32.46 29.77 1vsa n ARG 20 CO 0.00 0.00 0.00 0.77 -1.52 0.00 0.00 177.63 176.88 1vsa h SER 21 N 1.65 0.00 0.15 0.55 0.02 -1.18 -2.97 113.55 111.76 1vsa h SER 21 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1vsa h SER 21 Cb 1.28 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.82 1vsa h SER 21 CO 0.17 0.56 0.00 1.41 -1.14 0.00 0.00 176.83 177.82 1vsa n HIS 22 N -3.25 0.00 1.55 3.45 8.25 -1.26 -2.04 115.22 121.92 1vsa n HIS 22 Ca 0.02 0.00 0.14 0.00 -0.26 0.00 0.00 57.72 57.61 1vsa n HIS 22 Cb 0.75 -0.12 0.57 0.00 1.12 0.00 0.00 29.99 32.30 1vsa n HIS 22 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70 1vsa n HIS 23 N -1.12 0.03 -1.53 4.41 -0.00 -1.12 -4.85 115.22 111.03 1vsa n HIS 23 Ca 0.12 -0.02 -0.34 0.00 -0.00 0.00 0.00 57.72 57.48 1vsa n HIS 23 Cb 0.10 0.00 -0.10 0.00 -0.00 0.00 0.00 29.99 29.99 1vsa n HIS 23 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 1vsa n ALA 24 N -0.01 0.59 -0.91 -1.41 0.00 -0.86 -4.67 120.51 113.23 1vsa n ALA 24 Ca 0.19 -0.75 -0.37 0.00 0.00 0.00 0.00 53.44 52.51 1vsa n ALA 24 Cb 0.30 -2.80 -0.06 0.00 0.00 0.00 0.00 19.45 16.90 1vsa n ALA 24 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1vsa n LEU 25 N 13.25 0.61 -4.44 0.00 7.99 -1.26 -4.83 117.00 128.31 1vsa n LEU 25 Ca 0.52 0.59 -0.44 0.00 -0.01 0.00 0.00 56.01 56.67 1vsa n LEU 25 Cb 0.30 -0.51 -0.03 0.00 -0.11 0.00 0.00 43.42 43.08 1vsa n LEU 25 CO 0.81 -0.47 0.83 0.28 -1.51 0.00 0.00 177.39 177.34 1vsa s THR 26 N 2.26 4.68 0.63 -5.08 -1.32 -1.26 -5.03 115.64 110.52 1vsa s THR 26 Ca 0.63 -1.24 -0.18 0.00 -1.21 0.00 0.00 61.69 59.68 1vsa s THR 26 Cb -0.86 -4.71 -0.03 0.00 -1.51 0.00 0.00 72.50 65.40 1vsa s THR 26 CO 0.44 -1.43 1.16 -0.81 -2.21 0.00 0.00 174.62 171.77 1vsa n PRO 27 N 6.70 1.02 0.00 7.08 -0.04 -1.26 -5.03 135.00 143.46 1vsa n PRO 27 Ca 0.13 0.40 0.00 0.00 -0.04 0.00 0.00 63.50 63.98 1vsa n PRO 27 Cb 0.47 -2.38 0.00 0.00 -0.04 0.00 0.00 33.50 31.55 1vsa n PRO 27 CO 0.00 0.00 0.00 -0.35 -0.04 0.00 0.00 175.50 175.11 1vsa n PRO 28 N -1.55 2.63 0.00 0.54 -0.04 -1.26 -5.11 135.00 130.21 1vsa n PRO 28 Ca 0.15 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.61 1vsa n PRO 28 Cb 0.48 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.94 1vsa n PRO 28 CO 0.00 0.00 0.00 0.44 -0.04 0.00 0.00 175.50 175.90 1vsa n ILE 29 N 0.00 0.00 0.00 0.52 -0.00 -1.26 -5.19 119.36 113.43 1vsa n ILE 29 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 62.75 62.75 1vsa n ILE 29 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 39.64 39.64 1vsa n ILE 29 CO 0.00 0.00 0.00 -0.11 -0.00 0.00 0.00 176.55 176.44 1vsa n LEU 30 N 0.00 0.00 0.00 7.28 0.00 -1.26 -4.92 117.00 118.09 1vsa n LEU 30 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56.01 56.01 1vsa n LEU 30 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43.42 43.42 1vsa n LEU 30 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.39 178.72 1vsa n VAL 31 N -1.29 0.00 0.00 1.96 0.24 -1.09 -4.93 118.33 113.22 1vsa n VAL 31 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.30 1vsa n VAL 31 Cb 0.00 0.00 0.00 0.00 -1.47 0.00 0.00 33.84 32.37 1vsa n VAL 31 CO 0.00 0.00 0.00 -2.65 -2.14 0.00 0.00 176.83 172.04 1vsa n PRO 32 N 0.00 3.66 0.00 7.34 -0.02 -1.26 -4.07 135.00 140.65 1vsa n PRO 32 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.48 1vsa n PRO 32 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 33.48 1vsa n PRO 32 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1vsa n PRO 34 N -0.35 0.00 0.00 0.00 -0.04 -1.26 -4.97 135.00 128.37 1vsa n PRO 34 Ca 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.46 1vsa n PRO 34 Cb 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.46 1vsa n PRO 34 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 1vsa n GLU 35 N 0.00 0.00 0.00 0.54 -0.58 -1.26 -4.73 120.64 114.60 1vsa n GLU 35 Ca 0.00 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.74 1vsa n GLU 35 Cb 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 31.44 30.87 1vsa n GLU 35 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1vsa n LYS 37 N -0.89 5.34 -2.99 0.00 2.85 -0.83 -4.52 118.16 117.11 1vsa n LYS 37 Ca 0.00 -4.66 -0.44 0.00 -1.05 0.00 0.00 58.31 52.16 1vsa n LYS 37 Cb 0.00 -2.47 0.00 0.00 -0.65 0.00 0.00 35.03 31.91 1vsa n LYS 37 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 1vsa n ALA 38 N 0.06 4.72 -1.67 0.58 0.00 -1.11 -4.62 120.51 118.45 1vsa n ALA 38 Ca 0.45 -4.60 -0.17 0.00 0.00 0.00 0.00 53.44 49.12 1vsa n ALA 38 Cb 0.27 -2.59 -0.10 0.00 0.00 0.00 0.00 19.45 17.03 1vsa n ALA 38 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 177.50 175.86 1vsa s MET 39 N -1.15 1.47 0.55 0.00 -1.94 -1.25 -4.60 119.30 112.39 1vsa s MET 39 Ca 0.34 -0.31 -0.10 0.00 -1.71 0.00 0.00 55.69 53.92 1vsa s MET 39 Cb -0.00 -4.97 -0.04 0.00 2.01 0.00 0.00 34.83 31.82 1vsa s MET 39 CO 0.01 -5.02 0.93 0.15 -0.01 0.00 0.00 175.02 171.09 1vsa s LYS 40 N 8.27 3.63 0.50 2.03 1.02 -1.06 -4.61 119.74 129.51 1vsa s LYS 40 Ca 0.82 0.58 -0.06 0.00 0.02 0.00 0.00 55.97 57.34 1vsa s LYS 40 Cb -0.06 -2.20 -0.03 0.00 -0.52 0.00 0.00 37.83 35.02 1vsa s LYS 40 CO 0.14 -0.39 0.81 -1.25 -0.92 0.00 0.00 175.35 173.74 1vsa s PRO 41 N -4.85 3.50 -0.41 -1.68 0.04 -1.26 -2.68 135.00 127.66 1vsa s PRO 41 Ca 0.53 0.22 -0.04 0.00 0.04 0.00 0.00 61.00 61.75 1vsa s PRO 41 Cb -0.11 -2.35 -0.14 0.00 0.04 0.00 0.00 34.50 31.95 1vsa s PRO 41 CO 0.47 -0.27 1.39 -2.30 0.04 0.00 0.00 177.00 176.34 1vsa n PRO 42 N -2.32 0.00 -1.23 0.56 -0.02 -1.26 -2.99 135.00 127.74 1vsa n PRO 42 Ca 0.01 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.49 1vsa n PRO 42 Cb 0.55 -0.92 0.00 0.00 -0.02 0.00 0.00 33.50 33.11 1vsa n PRO 42 CO 0.00 0.00 0.00 0.72 1.98 0.00 0.00 175.50 178.20 1vsa n HIS 43 N 4.54 0.00 -3.82 6.00 8.25 -1.26 -5.14 115.22 123.79 1vsa n HIS 43 Ca 0.28 0.00 -0.08 0.00 -0.26 0.00 0.00 57.72 57.66 1vsa n HIS 43 Cb 0.31 -1.23 0.02 0.00 1.12 0.00 0.00 29.99 30.22 1vsa n HIS 43 CO 0.00 0.00 0.00 0.99 0.64 0.00 0.00 176.34 177.97 1vsa s THR 44 N -0.02 0.00 -0.06 1.59 2.01 -1.16 -5.17 115.64 112.82 1vsa s THR 44 Ca 0.00 -0.91 0.01 0.00 0.31 0.00 0.00 61.69 61.10 1vsa s THR 44 Cb 0.00 -2.93 0.02 0.00 0.01 0.00 0.00 72.50 69.60 1vsa s THR 44 CO 0.00 0.00 -0.05 -0.69 -0.69 0.00 0.00 174.62 173.19 1vsa s VAL 45 N -2.20 0.67 -0.10 3.82 1.01 -1.26 -4.97 120.40 117.38 1vsa s VAL 45 Ca 0.17 -0.16 -0.09 0.00 0.00 0.00 0.00 61.98 61.90 1vsa s VAL 45 Cb -0.05 -0.70 0.03 0.00 0.00 0.00 0.00 36.38 35.66 1vsa s VAL 45 CO 0.10 0.27 0.27 0.00 0.00 0.00 0.00 175.10 175.75 1vsa n PRO 47 N 2.90 1.06 0.07 0.00 -0.04 -1.26 -1.17 135.00 136.55 1vsa n PRO 47 Ca -0.13 -0.07 0.04 0.00 -0.04 0.00 0.00 63.50 63.30 1vsa n PRO 47 Cb 0.58 -1.18 -0.04 0.00 -0.04 0.00 0.00 33.50 32.82 1vsa n PRO 47 CO 0.00 0.00 0.00 1.49 -0.04 0.00 0.00 175.50 176.95 1vsa h GLU 48 N 0.10 0.00 0.00 0.54 4.81 -1.90 -3.39 114.58 114.75 1vsa h GLU 48 Ca 0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 1vsa h GLU 48 Cb 0.19 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.57 1vsa h GLU 48 CO 0.00 0.20 -0.01 0.00 -0.73 0.00 0.00 179.01 178.48 1vsa n GLY 50 N 0.17 0.64 0.00 0.00 0.00 -0.31 -4.08 105.19 101.61 1vsa n GLY 50 Ca 0.00 0.54 0.00 0.00 0.00 0.00 0.00 46.02 46.56 1vsa n GLY 50 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1vsa n TYR 51 N 0.00 0.00 0.00 1.61 4.02 -1.26 -4.44 117.16 117.09 1vsa n TYR 51 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.89 1vsa n TYR 51 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.32 1vsa n TYR 51 CO 0.00 0.00 0.00 2.48 -1.01 0.00 0.00 176.86 178.33 1vsa n TYR 52 N 0.00 0.00 0.00 -0.72 0.18 -1.26 -4.69 117.16 110.67 1vsa n TYR 52 Ca 0.00 0.00 0.00 0.00 1.88 0.00 0.00 57.90 59.78 1vsa n TYR 52 Cb 0.00 0.00 0.00 0.00 -0.38 0.00 0.00 39.34 38.96 1vsa n TYR 52 CO 0.00 0.00 0.00 0.00 -2.08 0.00 0.00 176.86 174.78 1vsa n ALA 53 N 0.00 1.94 -0.01 -3.48 0.00 -1.26 -5.03 120.51 112.66 1vsa n ALA 53 Ca 0.00 -0.00 -0.01 0.00 0.00 0.00 0.00 53.44 53.43 1vsa n ALA 53 Cb 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 19.45 19.45 1vsa n ALA 53 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1vsa n GLY 54 N 3.74 -0.59 0.00 0.00 0.00 -1.26 -5.11 105.19 101.96 1vsa n GLY 54 Ca 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 46.02 45.99 1vsa n GLY 54 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 1vsa n ARG 55 N -2.64 0.00 0.00 1.61 0.63 -1.26 -5.17 116.66 109.83 1vsa n ARG 55 Ca -0.01 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.92 1vsa n ARG 55 Cb 0.04 0.00 0.00 0.00 0.45 0.00 0.00 32.46 32.95 1vsa n ARG 55 CO 0.00 0.00 0.00 0.36 -2.51 0.00 0.00 177.63 175.48 1vsa n LYS 56 N 0.00 0.00 0.00 -0.14 -0.00 -1.26 -5.14 118.16 111.62 1vsa n LYS 56 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.31 1vsa n LYS 56 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 35.03 35.03 1vsa n LYS 56 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.40 178.73 1vsa n VAL 57 N 0.00 0.00 -4.45 0.58 0.24 -1.26 -5.13 118.33 108.31 1vsa n VAL 57 Ca 0.00 0.00 -0.23 0.00 -2.04 0.00 0.00 64.34 62.07 1vsa n VAL 57 Cb 0.00 0.00 -0.10 0.00 -1.47 0.00 0.00 33.84 32.27 1vsa n VAL 57 CO 0.00 0.00 0.00 -0.76 -2.14 0.00 0.00 176.83 173.93 1vsa s LEU 58 N 0.00 2.59 0.15 1.34 1.02 -1.26 -5.08 118.68 117.44 1vsa s LEU 58 Ca 0.00 -1.12 -0.11 0.00 0.02 0.00 0.00 54.13 52.91 1vsa s LEU 58 Cb 0.00 -0.85 0.01 0.00 0.02 0.00 0.00 46.19 45.36 1vsa s LEU 58 CO 0.00 -0.18 0.33 -1.83 0.02 0.00 0.00 176.35 174.69 1vsa s GLU 59 N -3.63 1.14 0.00 1.70 -1.05 -1.26 -3.03 118.70 112.57 1vsa s GLU 59 Ca 0.29 -1.02 0.00 0.00 -0.15 0.00 0.00 54.97 54.09 1vsa s GLU 59 Cb 0.00 0.41 0.00 0.00 -0.44 0.00 0.00 34.13 34.11 1vsa s GLU 59 CO 0.13 -0.43 0.00 0.28 0.95 0.00 0.00 175.26 176.19