#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ro3 s LYS 2 N 0.00 -0.73 0.17 3.17 1.02 -1.26 -4.82 119.74 117.28 2ro3 s LYS 2 Ca 0.00 0.02 -0.22 0.00 0.02 0.00 0.00 55.97 55.80 2ro3 s LYS 2 Cb 0.00 -1.65 0.08 0.00 -0.52 0.00 0.00 37.83 35.75 2ro3 s LYS 2 CO 0.00 -3.40 1.60 0.77 -0.92 0.00 0.00 175.35 173.40 2ro3 h SER 3 N -2.36 -1.03 0.62 2.83 0.02 -2.09 -2.01 113.55 109.54 2ro3 h SER 3 Ca -0.47 0.19 -0.27 0.00 -0.84 0.00 0.00 61.79 60.40 2ro3 h SER 3 Cb 1.30 0.50 -0.03 0.00 0.14 0.00 0.00 62.40 64.31 2ro3 h SER 3 CO 0.40 -0.30 -1.43 0.40 -1.14 0.00 0.00 176.83 174.75 2ro3 h ILE 4 N -0.21 1.22 -3.35 3.27 2.04 -2.03 -3.47 117.51 114.98 2ro3 h ILE 4 Ca 0.19 -2.95 -0.41 0.00 1.00 0.00 0.00 64.86 62.69 2ro3 h ILE 4 Cb 0.53 2.68 -0.00 0.00 -0.74 0.00 0.00 36.82 39.28 2ro3 h ILE 4 CO -0.56 0.77 -0.54 0.61 0.00 0.00 0.00 178.15 178.42 2ro3 n GLY 5 N 1.54 -0.50 3.48 5.37 0.00 -0.76 -4.97 105.19 109.35 2ro3 n GLY 5 Ca -0.12 0.03 -0.33 0.00 0.00 0.00 0.00 46.02 45.60 2ro3 n GLY 5 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2ro3 s VAL 6 N -3.06 3.07 -0.04 1.61 -7.23 -1.26 -4.84 120.40 108.66 2ro3 s VAL 6 Ca 0.06 -0.77 0.06 0.00 -1.81 0.00 0.00 61.98 59.53 2ro3 s VAL 6 Cb -0.03 -2.22 -0.01 0.00 0.56 0.00 0.00 36.38 34.68 2ro3 s VAL 6 CO 0.08 0.56 -0.22 0.54 -0.31 0.00 0.00 175.10 175.75 2ro3 s VAL 7 N -0.76 1.78 0.10 1.32 0.11 -1.26 -5.06 120.40 116.63 2ro3 s VAL 7 Ca 0.12 -0.93 0.10 0.00 -2.93 0.00 0.00 61.98 58.34 2ro3 s VAL 7 Cb -0.11 -1.50 -0.04 0.00 -1.53 0.00 0.00 36.38 33.21 2ro3 s VAL 7 CO 0.01 0.50 -0.24 -0.13 -3.33 0.00 0.00 175.10 171.91 2ro3 s ARG 8 N -0.27 1.61 -0.22 1.54 3.00 -1.26 -5.11 118.95 118.24 2ro3 s ARG 8 Ca 0.02 -1.24 -0.08 0.00 0.00 0.00 0.00 55.73 54.43 2ro3 s ARG 8 Cb -0.11 -1.98 -0.04 0.00 0.00 0.00 0.00 34.95 32.82 2ro3 s ARG 8 CO 0.01 0.48 0.08 0.15 0.00 0.00 0.00 175.30 176.02 2ro3 s LYS 9 N -1.84 3.86 0.48 3.54 -0.14 -1.26 -5.06 119.74 119.32 2ro3 s LYS 9 Ca 0.14 -0.39 -0.23 0.00 -1.36 0.00 0.00 55.97 54.13 2ro3 s LYS 9 Cb -0.10 -3.30 -0.08 0.00 -1.68 0.00 0.00 37.83 32.67 2ro3 s LYS 9 CO 0.06 0.06 1.18 0.28 -0.76 0.00 0.00 175.35 176.17 2ro3 n VAL 10 N 4.18 3.03 0.00 3.17 0.31 -1.26 -4.83 118.33 122.93 2ro3 n VAL 10 Ca -0.16 -0.50 0.00 0.00 -0.01 0.00 0.00 64.34 63.67 2ro3 n VAL 10 Cb 0.52 -1.42 0.00 0.00 -0.91 0.00 0.00 33.84 32.03 2ro3 n VAL 10 CO 0.00 0.00 0.00 0.47 -1.32 0.00 0.00 176.83 175.98 2ro3 n ASP 11 N -0.18 0.00 0.00 4.52 8.00 0.25 -4.95 116.55 124.18 2ro3 n ASP 11 Ca 0.09 0.65 0.00 0.00 0.71 0.00 0.00 54.79 56.24 2ro3 n ASP 11 Cb 0.42 -0.18 0.00 0.00 -0.02 0.00 0.00 41.12 41.34 2ro3 n ASP 11 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 2ro3 n GLU 12 N -1.04 0.00 0.18 -1.24 1.02 -1.26 -4.93 120.64 113.38 2ro3 n GLU 12 Ca 0.00 0.00 0.14 0.00 -0.02 0.00 0.00 57.16 57.28 2ro3 n GLU 12 Cb 0.00 -0.04 0.43 0.00 -0.02 0.00 0.00 31.44 31.81 2ro3 n GLU 12 CO 0.00 0.00 0.00 -0.07 1.18 0.00 0.00 177.13 178.24 2ro3 h LEU 13 N 0.00 0.00 0.00 -4.62 3.38 -2.03 -3.45 115.31 108.59 2ro3 h LEU 13 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2ro3 h LEU 13 Cb 0.00 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.75 2ro3 h LEU 13 CO 0.00 0.00 0.00 0.61 0.09 0.00 0.00 178.44 179.14 2ro3 n GLY 14 N 0.66 0.95 3.71 0.83 0.00 -1.26 -5.10 105.19 104.97 2ro3 n GLY 14 Ca 0.03 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.63 2ro3 n GLY 14 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2ro3 s ARG 15 N 0.00 4.42 0.34 1.61 0.52 -1.26 -4.82 118.95 119.77 2ro3 s ARG 15 Ca 0.00 1.72 0.06 0.00 -0.52 0.00 0.00 55.73 56.98 2ro3 s ARG 15 Cb 0.00 -3.41 -0.02 0.00 0.52 0.00 0.00 34.95 32.04 2ro3 s ARG 15 CO 0.00 -0.28 0.20 0.44 0.02 0.00 0.00 175.30 175.68 2ro3 n ILE 16 N 4.09 0.00 -3.88 1.52 -5.35 -1.26 -0.58 119.36 113.89 2ro3 n ILE 16 Ca 0.09 -2.25 -0.35 0.00 -0.27 0.00 0.00 62.75 59.97 2ro3 n ILE 16 Cb 0.47 0.97 -0.14 0.00 -1.74 0.00 0.00 39.64 39.21 2ro3 n ILE 16 CO 0.00 0.00 0.00 0.54 -1.76 0.00 0.00 176.55 175.33 2ro3 s VAL 17 N -3.13 3.15 0.23 7.28 0.11 -1.26 -5.05 120.40 121.72 2ro3 s VAL 17 Ca 0.29 -1.26 -0.23 0.00 -2.93 0.00 0.00 61.98 57.85 2ro3 s VAL 17 Cb 0.01 -2.77 -0.09 0.00 -1.53 0.00 0.00 36.38 32.01 2ro3 s VAL 17 CO 0.20 -0.07 0.79 -0.04 -3.33 0.00 0.00 175.10 172.66 2ro3 s MET 18 N 1.30 4.41 0.67 1.54 1.00 -1.26 -4.95 119.30 122.01 2ro3 s MET 18 Ca -0.04 1.05 -0.07 0.00 0.00 0.00 0.00 55.69 56.64 2ro3 s MET 18 Cb -0.19 -2.96 0.04 0.00 0.00 0.00 0.00 34.83 31.72 2ro3 s MET 18 CO -0.01 0.41 0.99 -1.25 0.00 0.00 0.00 175.02 175.16 2ro3 s PRO 19 N -1.78 2.51 0.48 2.03 0.04 -1.26 -4.90 135.00 132.12 2ro3 s PRO 19 Ca 0.43 -0.08 0.24 0.00 0.04 0.00 0.00 61.00 61.63 2ro3 s PRO 19 Cb -0.19 -2.18 1.29 0.00 0.04 0.00 0.00 34.50 33.46 2ro3 s PRO 19 CO 0.23 -1.04 1.90 0.97 0.04 0.00 0.00 177.00 179.10 2ro3 h ILE 20 N -0.47 0.65 -0.88 0.56 6.09 -1.99 0.17 117.51 121.64 2ro3 h ILE 20 Ca -0.45 -0.06 0.10 0.00 -1.37 0.00 0.00 64.86 63.08 2ro3 h ILE 20 Cb 1.29 0.46 -0.06 0.00 0.47 0.00 0.00 36.82 38.97 2ro3 h ILE 20 CO 0.61 0.03 0.57 -0.33 -3.07 0.00 0.00 178.15 175.96 2ro3 h GLU 21 N 0.18 0.82 -0.16 2.19 4.39 -1.98 0.26 114.58 120.28 2ro3 h GLU 21 Ca 0.40 -0.05 -0.11 0.00 0.34 0.00 0.00 59.36 59.95 2ro3 h GLU 21 Cb 1.31 -0.18 0.00 0.00 -0.10 0.00 0.00 28.75 29.78 2ro3 h GLU 21 CO -0.08 0.54 -0.32 1.25 -1.16 0.00 0.00 179.01 179.24 2ro3 h LEU 22 N 0.84 0.56 -0.24 1.33 6.46 -1.01 0.16 115.31 123.42 2ro3 h LEU 22 Ca 0.41 -0.55 -0.00 0.00 -0.12 0.00 0.00 57.88 57.62 2ro3 h LEU 22 Cb 0.45 -0.16 -0.01 0.00 -0.73 0.00 0.00 40.66 40.21 2ro3 h LEU 22 CO -0.18 1.01 0.15 0.03 -0.62 0.00 0.00 178.44 178.83 2ro3 h ARG 23 N 0.13 0.32 0.35 1.25 3.08 -0.95 0.07 114.38 118.63 2ro3 h ARG 23 Ca 0.01 -0.03 -0.02 0.00 0.07 0.00 0.00 59.98 60.01 2ro3 h ARG 23 Cb 0.92 -0.07 0.00 0.00 0.08 0.00 0.00 29.97 30.90 2ro3 h ARG 23 CO 0.07 0.25 -0.17 0.00 -1.07 0.00 0.00 179.97 179.05 2ro3 h ARG 24 N 0.30 -0.46 -0.89 0.04 3.08 -0.50 -0.03 114.38 115.92 2ro3 h ARG 24 Ca 0.09 0.03 0.13 0.00 0.07 0.00 0.00 59.98 60.30 2ro3 h ARG 24 Cb 0.01 0.10 -0.09 0.00 0.08 0.00 0.00 29.97 30.08 2ro3 h ARG 24 CO -0.02 -0.31 0.50 0.00 -1.07 0.00 0.00 179.97 179.08 2ro3 h ALA 25 N 0.18 1.34 -3.00 0.04 0.00 -0.52 -3.38 119.26 113.92 2ro3 h ALA 25 Ca -0.05 0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.92 2ro3 h ALA 25 Cb 0.37 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.07 2ro3 h ALA 25 CO 0.07 0.01 0.00 1.28 0.00 0.00 0.00 179.25 180.62 2ro3 n LEU 26 N -4.79 0.30 0.00 0.00 4.77 -0.00 -5.04 117.00 112.24 2ro3 n LEU 26 Ca 0.17 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.15 2ro3 n LEU 26 Cb 0.40 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.49 2ro3 n LEU 26 CO 0.24 0.00 0.00 -0.67 -1.33 0.00 0.00 177.39 175.63 2ro3 n ASP 27 N -0.19 0.00 -4.72 -1.43 2.03 -0.14 -5.01 116.55 107.08 2ro3 n ASP 27 Ca 0.00 0.00 -0.42 0.00 0.52 0.00 0.00 54.79 54.89 2ro3 n ASP 27 Cb 0.00 0.00 -0.04 0.00 -0.72 0.00 0.00 41.12 40.36 2ro3 n ASP 27 CO 0.00 0.00 0.00 -0.63 -1.92 0.00 0.00 177.20 174.65 2ro3 s ILE 28 N 0.00 4.24 -0.20 5.18 1.09 -0.50 -4.92 121.20 126.09 2ro3 s ILE 28 Ca 0.00 1.75 -0.14 0.00 -1.10 0.00 0.00 60.65 61.16 2ro3 s ILE 28 Cb 0.00 -4.12 -0.08 0.00 -1.06 0.00 0.00 42.46 37.20 2ro3 s ILE 28 CO 0.00 0.21 -0.31 0.00 -0.10 0.00 0.00 174.94 174.74 2ro3 n ALA 29 N 3.23 1.30 0.00 9.38 0.00 -1.26 -4.60 120.51 128.56 2ro3 n ALA 29 Ca 0.05 -0.87 0.00 0.00 0.00 0.00 0.00 53.44 52.63 2ro3 n ALA 29 Cb 0.48 0.13 0.00 0.00 0.00 0.00 0.00 19.45 20.06 2ro3 n ALA 29 CO 0.00 0.00 0.00 1.51 0.00 0.00 0.00 177.50 179.01 2ro3 n ILE 30 N -4.21 0.00 0.00 0.00 0.00 -1.26 -4.98 119.36 108.91 2ro3 n ILE 30 Ca -0.33 0.00 0.00 0.00 0.00 0.00 0.00 62.75 62.42 2ro3 n ILE 30 Cb 0.68 0.00 0.00 0.00 0.00 0.00 0.00 39.64 40.32 2ro3 n ILE 30 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 176.55 176.84 2ro3 n LYS 31 N -0.83 0.00 0.00 9.51 5.02 -1.26 -5.09 118.16 125.51 2ro3 n LYS 31 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.29 2ro3 n LYS 31 Cb 0.00 -0.37 0.00 0.00 -0.02 0.00 0.00 35.03 34.64 2ro3 n LYS 31 CO 0.00 0.00 0.00 -3.47 -0.52 0.00 0.00 177.40 173.41 2ro3 n ASP 32 N -2.27 0.00 0.00 4.39 2.03 -1.26 -4.69 116.55 114.74 2ro3 n ASP 32 Ca 0.00 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.31 2ro3 n ASP 32 Cb 0.15 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.55 2ro3 n ASP 32 CO 0.00 0.00 0.00 -1.20 -1.92 0.00 0.00 177.20 174.08 2ro3 n SER 33 N 5.88 0.00 -3.80 1.67 7.64 -1.26 -5.01 113.62 118.74 2ro3 n SER 33 Ca 0.00 0.00 -0.22 0.00 1.01 0.00 0.00 58.87 59.66 2ro3 n SER 33 Cb 0.00 0.00 -0.17 0.00 -1.01 0.00 0.00 64.21 63.03 2ro3 n SER 33 CO 0.00 0.00 0.00 -0.63 -3.01 0.00 0.00 175.04 171.40 2ro3 s ILE 34 N 0.00 0.42 -0.08 0.44 1.09 -1.26 -3.64 121.20 118.17 2ro3 s ILE 34 Ca 0.00 0.06 0.02 0.00 -1.10 0.00 0.00 60.65 59.63 2ro3 s ILE 34 Cb 0.00 -0.55 -0.02 0.00 -1.06 0.00 0.00 42.46 40.83 2ro3 s ILE 34 CO 0.00 0.25 -0.15 -0.70 -0.10 0.00 0.00 174.94 174.25 2ro3 s GLU 35 N 1.72 2.84 0.10 2.79 2.12 0.14 -4.91 118.70 123.51 2ro3 s GLU 35 Ca 0.01 -0.71 0.07 0.00 0.36 0.00 0.00 54.97 54.71 2ro3 s GLU 35 Cb -0.13 -2.45 -0.04 0.00 0.26 0.00 0.00 34.13 31.77 2ro3 s GLU 35 CO -0.04 0.44 -0.11 -0.06 -0.54 0.00 0.00 175.26 174.95 2ro3 s PHE 36 N -0.27 2.71 0.26 5.30 0.08 -1.25 -1.03 117.98 123.78 2ro3 s PHE 36 Ca 0.01 -0.17 0.11 0.00 0.12 0.00 0.00 56.93 57.00 2ro3 s PHE 36 Cb -0.13 -1.42 -0.05 0.00 -0.57 0.00 0.00 43.02 40.85 2ro3 s PHE 36 CO 0.03 0.42 -0.10 0.12 -0.10 0.00 0.00 175.22 175.58 2ro3 s PHE 37 N -1.20 2.51 -0.07 0.36 2.19 0.20 -4.90 117.98 117.07 2ro3 s PHE 37 Ca 0.21 -0.27 0.00 0.00 0.33 0.00 0.00 56.93 57.20 2ro3 s PHE 37 Cb -0.11 -1.12 0.02 0.00 -1.31 0.00 0.00 43.02 40.51 2ro3 s PHE 37 CO 0.13 0.65 -0.05 0.54 1.83 0.00 0.00 175.22 178.32 2ro3 s VAL 38 N -2.32 0.65 -0.43 3.12 0.11 -1.26 0.22 120.40 120.49 2ro3 s VAL 38 Ca 0.30 -0.12 0.04 0.00 -2.93 0.00 0.00 61.98 59.26 2ro3 s VAL 38 Cb -0.06 -0.69 0.12 0.00 -1.53 0.00 0.00 36.38 34.21 2ro3 s VAL 38 CO 0.17 0.28 0.16 -0.62 -3.33 0.00 0.00 175.10 171.76 2ro3 s ASP 39 N 1.34 4.46 0.00 3.54 2.15 0.11 -4.94 116.67 123.32 2ro3 s ASP 39 Ca -0.04 -2.56 0.00 0.00 0.43 0.00 0.00 52.55 50.38 2ro3 s ASP 39 Cb -0.14 -1.56 0.00 0.00 -0.30 0.00 0.00 42.92 40.92 2ro3 s ASP 39 CO -0.03 -0.31 0.00 0.61 -0.17 0.00 0.00 175.17 175.28 2ro3 n GLY 40 N 3.71 0.69 0.51 2.66 0.00 -1.26 -0.50 105.19 111.00 2ro3 n GLY 40 Ca 0.04 0.55 0.06 0.00 0.00 0.00 0.00 46.02 46.68 2ro3 n GLY 40 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2ro3 n ASP 41 N 3.42 1.64 -4.31 1.61 8.00 -1.26 -5.04 116.55 120.61 2ro3 n ASP 41 Ca 0.00 -3.12 -0.21 0.00 0.71 0.00 0.00 54.79 52.16 2ro3 n ASP 41 Cb 0.00 -0.42 -0.11 0.00 -0.02 0.00 0.00 41.12 40.56 2ro3 n ASP 41 CO 0.00 0.00 0.00 -0.75 -0.39 0.00 0.00 177.20 176.06 2ro3 s LYS 42 N -2.28 1.21 0.04 -1.24 2.20 0.35 -5.15 119.74 114.87 2ro3 s LYS 42 Ca 0.30 -1.35 0.07 0.00 -0.36 0.00 0.00 55.97 54.64 2ro3 s LYS 42 Cb 0.29 -1.27 -0.03 0.00 -1.51 0.00 0.00 37.83 35.32 2ro3 s LYS 42 CO -0.04 0.26 -0.21 0.42 -0.36 0.00 0.00 175.35 175.42 2ro3 s ILE 43 N -1.95 1.71 -0.03 5.43 -1.09 -1.26 0.05 121.20 124.06 2ro3 s ILE 43 Ca 0.13 -1.21 0.06 0.00 -2.23 0.00 0.00 60.65 57.40 2ro3 s ILE 43 Cb -0.06 -1.48 -0.01 0.00 -1.58 0.00 0.00 42.46 39.33 2ro3 s ILE 43 CO 0.06 0.23 -0.20 -0.63 -1.23 0.00 0.00 174.94 173.16 2ro3 s ILE 44 N -0.79 1.63 0.00 2.92 1.01 0.13 -4.91 121.20 121.19 2ro3 s ILE 44 Ca 0.08 -0.86 0.06 0.00 0.00 0.00 0.00 60.65 59.92 2ro3 s ILE 44 Cb -0.09 -1.37 -0.02 0.00 0.01 0.00 0.00 42.46 41.00 2ro3 s ILE 44 CO 0.02 0.46 -0.19 -0.76 0.00 0.00 0.00 174.94 174.47 2ro3 s LEU 45 N -0.32 2.07 -0.12 2.97 1.02 -1.26 0.60 118.68 123.64 2ro3 s LEU 45 Ca 0.04 -0.38 -0.20 0.00 0.02 0.00 0.00 54.13 53.61 2ro3 s LEU 45 Cb -0.10 -0.94 0.05 0.00 0.02 0.00 0.00 46.19 45.23 2ro3 s LEU 45 CO 0.00 0.20 0.50 -1.59 0.02 0.00 0.00 176.35 175.49 2ro3 s LYS 46 N -0.62 0.70 0.65 1.70 0.00 -0.20 -4.95 119.74 117.03 2ro3 s LYS 46 Ca 0.07 0.42 -0.17 0.00 0.00 0.00 0.00 55.97 56.29 2ro3 s LYS 46 Cb -0.07 0.33 -0.01 0.00 0.00 0.00 0.00 37.83 38.08 2ro3 s LYS 46 CO -0.00 -0.15 1.17 0.21 0.00 0.00 0.00 175.35 176.58 2ro3 s LYS 47 N -0.37 2.70 0.12 1.78 2.36 -1.25 0.24 119.74 125.32 2ro3 s LYS 47 Ca -0.05 1.67 -0.19 0.00 -2.55 0.00 0.00 55.97 54.85 2ro3 s LYS 47 Cb -0.03 -1.91 -0.05 0.00 -1.05 0.00 0.00 37.83 34.78 2ro3 s LYS 47 CO 0.03 -1.38 1.72 -0.92 1.55 0.00 0.00 175.35 176.36 2ro3 h TYR 48 N 0.32 0.36 0.31 4.03 3.20 -1.93 -3.05 116.97 120.21 2ro3 h TYR 48 Ca -0.49 -0.01 -0.00 0.00 3.14 0.00 0.00 58.73 61.38 2ro3 h TYR 48 Cb 1.28 -0.12 -0.03 0.00 1.54 0.00 0.00 36.73 39.40 2ro3 h TYR 48 CO 0.49 0.30 -0.52 -0.22 -1.64 0.00 0.00 178.16 176.58 2ro3 h LYS 49 N 0.32 -0.85 -6.60 1.82 3.64 -1.91 -3.42 116.57 109.56 2ro3 h LYS 49 Ca 0.09 0.06 -0.59 0.00 -1.27 0.00 0.00 60.65 58.95 2ro3 h LYS 49 Cb 0.06 0.19 0.09 0.00 -0.41 0.00 0.00 32.23 32.17 2ro3 h LYS 49 CO -0.02 -0.57 0.49 -2.30 -2.27 0.00 0.00 179.45 174.79 2ro3 n PRO 50 N -5.50 1.91 -3.73 1.90 -0.02 -1.15 -4.94 135.00 123.47 2ro3 n PRO 50 Ca -0.10 0.68 -0.33 0.00 -2.02 0.00 0.00 63.50 61.72 2ro3 n PRO 50 Cb 0.44 -2.26 -0.08 0.00 -0.02 0.00 0.00 33.50 31.57 2ro3 n PRO 50 CO 0.00 0.00 0.00 -2.39 1.98 0.00 0.00 175.50 175.09 2ro3 n HIS 51 N 1.19 3.84 -3.27 6.00 1.44 -1.26 -4.70 115.22 118.46 2ro3 n HIS 51 Ca 0.10 -4.19 -0.36 0.00 -2.01 0.00 0.00 57.72 51.25 2ro3 n HIS 51 Cb 0.32 -0.93 -0.06 0.00 0.12 0.00 0.00 29.99 29.44 2ro3 n HIS 51 CO 0.00 0.00 0.00 0.20 -2.81 0.00 0.00 176.34 173.73 2ro3 s GLY 52 N -0.73 2.56 0.14 -1.39 0.00 -1.26 -4.99 107.32 101.64 2ro3 s GLY 52 Ca 0.27 -0.01 -0.33 0.00 0.00 0.00 0.00 44.72 44.64 2ro3 s GLY 52 CO -0.14 0.33 1.04 1.55 0.00 0.00 0.00 173.10 175.88 2ro3 n VAL 53 N 1.05 0.89 0.24 1.40 3.14 -1.26 -5.13 118.33 118.67 2ro3 n VAL 53 Ca -0.06 -0.22 0.03 0.00 -2.96 0.00 0.00 64.34 61.13 2ro3 n VAL 53 Cb 0.51 -0.55 0.02 0.00 -1.06 0.00 0.00 33.84 32.77 2ro3 n VAL 53 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37