#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ug0 n SER 2 N 0.00 -1.50 0.03 1.61 7.64 -1.26 -5.00 113.62 115.13 1ug0 n SER 2 Ca 0.00 1.14 0.00 0.00 1.01 0.00 0.00 58.87 61.02 1ug0 n SER 2 Cb 0.00 -4.45 0.00 0.00 -1.01 0.00 0.00 64.21 58.75 1ug0 n SER 2 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 1ug0 n SER 3 N 1.39 -0.49 -3.47 6.43 2.88 -1.26 -5.12 113.62 113.99 1ug0 n SER 3 Ca -0.31 0.49 0.01 0.00 -1.33 0.00 0.00 58.87 57.73 1ug0 n SER 3 Cb 0.47 0.84 -0.03 0.00 -0.75 0.00 0.00 64.21 64.75 1ug0 n SER 3 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 1ug0 s GLY 4 N -1.88 -0.69 -0.31 0.46 0.00 -1.26 -5.10 107.32 98.53 1ug0 s GLY 4 Ca 0.00 2.36 -0.11 0.00 0.00 0.00 0.00 44.72 46.98 1ug0 s GLY 4 CO 0.00 3.20 1.13 -0.45 0.00 0.00 0.00 173.10 176.99 1ug0 s SER 5 N 2.82 -0.12 -0.17 1.64 0.15 -1.26 -5.08 113.70 111.68 1ug0 s SER 5 Ca 0.01 -0.10 -0.29 0.00 0.70 0.00 0.00 55.95 56.27 1ug0 s SER 5 Cb -0.12 0.16 -0.00 0.00 -1.71 0.00 0.00 66.02 64.35 1ug0 s SER 5 CO -0.19 -0.01 1.04 -0.44 1.20 0.00 0.00 173.24 174.84 1ug0 s SER 6 N 1.54 7.15 -0.44 5.45 0.01 -1.26 -4.94 113.70 121.22 1ug0 s SER 6 Ca 0.18 1.46 0.01 0.00 1.31 0.00 0.00 55.95 58.91 1ug0 s SER 6 Cb 0.09 -2.55 0.20 0.00 0.21 0.00 0.00 66.02 63.97 1ug0 s SER 6 CO -0.14 -0.58 0.87 -0.83 0.41 0.00 0.00 173.24 172.97 1ug0 s GLY 7 N 1.18 -1.52 0.27 3.44 0.00 -1.26 -4.99 107.32 104.45 1ug0 s GLY 7 Ca 0.46 0.07 0.23 0.00 0.00 0.00 0.00 44.72 45.48 1ug0 s GLY 7 CO 0.11 3.93 1.20 1.05 0.00 0.00 0.00 173.10 179.39 1ug0 h GLU 8 N 4.86 0.00 0.00 2.90 9.09 -2.05 -3.26 114.58 126.12 1ug0 h GLU 8 Ca 0.03 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.44 1ug0 h GLU 8 Cb 1.14 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.24 1ug0 h GLU 8 CO -0.03 0.00 0.00 -1.91 0.05 0.00 0.00 179.01 177.12 1ug0 n GLU 9 N -2.79 0.02 0.07 1.06 2.13 -1.26 -1.72 120.64 118.15 1ug0 n GLU 9 Ca 0.01 0.33 0.07 0.00 0.66 0.00 0.00 57.16 58.23 1ug0 n GLU 9 Cb 0.54 -1.50 0.34 0.00 0.27 0.00 0.00 31.44 31.09 1ug0 n GLU 9 CO 0.00 0.00 0.00 -0.25 -0.41 0.00 0.00 177.13 176.47 1ug0 n ASP 10 N -1.47 0.29 0.28 4.31 8.00 -1.23 -2.44 116.55 124.30 1ug0 n ASP 10 Ca 0.02 0.60 0.13 0.00 0.71 0.00 0.00 54.79 56.26 1ug0 n ASP 10 Cb 0.10 -0.65 0.63 0.00 -0.02 0.00 0.00 41.12 41.18 1ug0 n ASP 10 CO 0.00 0.00 0.00 0.10 -0.39 0.00 0.00 177.20 176.91 1ug0 h TYR 11 N 0.00 0.00 0.00 1.24 -0.00 -1.62 1.42 116.97 118.01 1ug0 h TYR 11 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58.73 58.73 1ug0 h TYR 11 Cb 0.15 0.00 0.00 0.00 0.00 0.00 0.00 36.73 36.88 1ug0 h TYR 11 CO 0.00 0.00 -1.91 -0.85 -0.00 0.00 0.00 178.16 175.40 1ug0 n GLU 12 N -2.92 0.61 0.05 0.10 0.28 -1.02 -3.68 120.64 114.06 1ug0 n GLU 12 Ca 0.01 -0.18 0.06 0.00 -0.16 0.00 0.00 57.16 56.88 1ug0 n GLU 12 Cb 0.58 -1.50 0.27 0.00 1.43 0.00 0.00 31.44 32.22 1ug0 n GLU 12 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 1ug0 n GLN 13 N -2.19 0.06 0.08 3.44 -0.00 0.49 -0.99 117.38 118.26 1ug0 n GLN 13 Ca -0.03 0.45 -0.21 0.00 -0.00 0.00 0.00 57.00 57.21 1ug0 n GLN 13 Cb 0.54 -1.65 -0.15 0.00 -0.00 0.00 0.00 30.24 28.98 1ug0 n GLN 13 CO 0.00 0.00 0.00 -1.49 0.00 0.00 0.00 177.06 175.57 1ug0 h TRP 14 N 0.00 0.65 -0.96 2.61 4.06 -1.69 -3.30 115.95 117.32 1ug0 h TRP 14 Ca 0.00 -0.48 0.07 0.00 2.06 0.00 0.00 58.89 60.54 1ug0 h TRP 14 Cb 0.12 -0.03 -0.06 0.00 -1.00 0.00 0.00 29.16 28.19 1ug0 h TRP 14 CO 0.00 1.55 0.62 1.25 -3.56 0.00 0.00 178.44 178.29 1ug0 h LEU 15 N 0.10 0.96 -1.78 -4.49 5.85 -1.27 -0.03 115.31 114.65 1ug0 h LEU 15 Ca -0.29 0.01 0.38 0.00 0.84 0.00 0.00 57.88 58.82 1ug0 h LEU 15 Cb 2.08 -0.19 -0.07 0.00 0.37 0.00 0.00 40.66 42.84 1ug0 h LEU 15 CO 0.19 0.61 0.92 -0.33 -0.34 0.00 0.00 178.44 179.48 1ug0 h GLU 16 N 1.09 0.09 -3.98 1.25 5.08 -1.61 -3.07 114.58 113.43 1ug0 h GLU 16 Ca 0.42 -0.01 -0.69 0.00 -1.00 0.00 0.00 59.36 58.08 1ug0 h GLU 16 Cb 0.22 -0.02 -0.35 0.00 0.50 0.00 0.00 28.75 29.10 1ug0 h GLU 16 CO -0.17 0.06 -0.46 0.42 -1.00 0.00 0.00 179.01 177.86 1ug0 s ILE 17 N -5.09 3.46 0.91 3.13 1.09 -0.03 -5.08 121.20 119.59 1ug0 s ILE 17 Ca -0.06 -2.59 -0.11 0.00 -1.10 0.00 0.00 60.65 56.79 1ug0 s ILE 17 Cb 0.25 -3.31 0.14 0.00 -1.06 0.00 0.00 42.46 38.48 1ug0 s ILE 17 CO 0.82 -0.79 1.10 -0.75 -0.10 0.00 0.00 174.94 175.23 1ug0 s LYS 18 N 0.45 1.12 0.45 2.79 2.47 -1.16 -4.95 119.74 120.91 1ug0 s LYS 18 Ca 0.13 1.20 -0.07 0.00 -1.56 0.00 0.00 55.97 55.68 1ug0 s LYS 18 Cb -0.22 -1.76 -0.04 0.00 -1.46 0.00 0.00 37.83 34.35 1ug0 s LYS 18 CO -0.04 -2.45 0.77 0.08 0.16 0.00 0.00 175.35 173.88 1ug0 s VAL 19 N -2.75 4.88 0.16 4.02 1.01 -1.26 -5.07 120.40 121.39 1ug0 s VAL 19 Ca 0.65 0.32 0.06 0.00 0.00 0.00 0.00 61.98 63.01 1ug0 s VAL 19 Cb -0.21 -3.82 -0.04 0.00 0.00 0.00 0.00 36.38 32.31 1ug0 s VAL 19 CO 0.58 -0.74 0.07 -0.94 0.00 0.00 0.00 175.10 174.07 1ug0 s SER 20 N -3.80 5.17 1.00 3.32 1.04 -1.26 -4.17 113.70 115.00 1ug0 s SER 20 Ca 0.48 -0.25 -0.15 0.00 0.48 0.00 0.00 55.95 56.51 1ug0 s SER 20 Cb -0.10 -1.24 0.20 0.00 0.10 0.00 0.00 66.02 64.97 1ug0 s SER 20 CO 0.41 0.08 1.18 -2.16 0.98 0.00 0.00 173.24 173.73 1ug0 s PRO 21 N -2.99 0.36 0.00 4.02 0.04 -1.26 -4.74 135.00 130.42 1ug0 s PRO 21 Ca 0.29 -0.01 0.14 0.00 0.04 0.00 0.00 61.00 61.47 1ug0 s PRO 21 Cb -0.10 -1.78 0.85 0.00 0.04 0.00 0.00 34.50 33.52 1ug0 s PRO 21 CO 0.21 -2.67 1.38 -0.35 0.04 0.00 0.00 177.00 175.61 1ug0 n PRO 22 N -4.04 0.75 0.11 0.56 -0.04 -1.26 -2.80 135.00 128.29 1ug0 n PRO 22 Ca 0.11 0.00 0.12 0.00 -0.04 0.00 0.00 63.50 63.69 1ug0 n PRO 22 Cb 0.59 -1.30 0.45 0.00 -0.04 0.00 0.00 33.50 33.21 1ug0 n PRO 22 CO 0.00 0.00 0.00 -1.91 -0.04 0.00 0.00 175.50 173.55 1ug0 n GLU 23 N -0.80 0.22 0.04 0.54 2.13 -1.26 -2.34 120.64 119.17 1ug0 n GLU 23 Ca 0.11 0.31 0.13 0.00 0.66 0.00 0.00 57.16 58.36 1ug0 n GLU 23 Cb 0.05 -1.82 0.32 0.00 0.27 0.00 0.00 31.44 30.26 1ug0 n GLU 23 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1ug0 n GLY 24 N 0.68 -1.44 0.31 8.31 0.00 -1.12 -4.22 105.19 107.70 1ug0 n GLY 24 Ca 0.04 -0.21 -0.08 0.00 0.00 0.00 0.00 46.02 45.77 1ug0 n GLY 24 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ug0 n ALA 25 N -1.67 -0.47 0.03 4.61 0.00 -0.99 -0.50 120.51 121.52 1ug0 n ALA 25 Ca 0.05 0.63 -0.11 0.00 0.00 0.00 0.00 53.44 54.01 1ug0 n ALA 25 Cb 0.39 0.02 -0.06 0.00 0.00 0.00 0.00 19.45 19.80 1ug0 n ALA 25 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 1ug0 h GLU 26 N 0.00 -0.03 -1.74 0.00 4.81 -1.82 -1.56 114.58 114.25 1ug0 h GLU 26 Ca 0.12 0.00 0.51 0.00 -0.13 0.00 0.00 59.36 59.86 1ug0 h GLU 26 Cb 0.30 0.01 -0.08 0.00 0.63 0.00 0.00 28.75 29.61 1ug0 h GLU 26 CO -0.70 -0.02 1.24 1.15 -0.73 0.00 0.00 179.01 179.95 1ug0 h THR 27 N -0.03 0.09 -1.14 0.32 2.02 -0.99 0.60 112.91 113.78 1ug0 h THR 27 Ca 0.02 -0.00 0.33 0.00 0.77 0.00 0.00 66.41 67.53 1ug0 h THR 27 Cb 0.06 0.08 -0.05 0.00 -1.74 0.00 0.00 68.15 66.50 1ug0 h THR 27 CO -0.04 0.00 1.12 0.08 0.37 0.00 0.00 175.52 177.05 1ug0 h ARG 28 N 0.01 0.00 -0.69 6.66 -0.00 0.17 1.94 114.38 122.48 1ug0 h ARG 28 Ca 0.86 0.00 -0.06 0.00 -0.00 0.00 0.00 59.98 60.78 1ug0 h ARG 28 Cb 3.34 0.00 -0.03 0.00 -0.00 0.00 0.00 29.97 33.28 1ug0 h ARG 28 CO -0.08 0.00 0.21 0.00 -0.00 0.00 0.00 179.97 180.10 1ug0 h ARG 29 N 0.00 1.08 0.06 0.08 3.08 0.01 0.85 114.38 119.54 1ug0 h ARG 29 Ca 0.54 -0.23 -0.27 0.00 0.07 0.00 0.00 59.98 60.09 1ug0 h ARG 29 Cb 2.78 -0.15 -0.02 0.00 0.08 0.00 0.00 29.97 32.66 1ug0 h ARG 29 CO -0.01 0.93 -1.39 -0.24 -1.07 0.00 0.00 179.97 178.20 1ug0 h VAL 30 N 1.01 1.29 0.50 2.04 3.04 0.28 -3.34 116.25 121.06 1ug0 h VAL 30 Ca 0.22 -2.98 -0.02 0.00 -1.01 0.00 0.00 66.70 62.90 1ug0 h VAL 30 Cb 0.30 2.74 0.00 0.00 -2.01 0.00 0.00 31.29 32.33 1ug0 h VAL 30 CO -0.01 0.81 -0.24 0.40 -1.01 0.00 0.00 177.57 177.52 1ug0 h ILE 31 N 0.04 0.29 -1.15 3.17 2.04 -0.68 -2.97 117.51 118.24 1ug0 h ILE 31 Ca -0.17 -0.48 0.39 0.00 1.00 0.00 0.00 64.86 65.60 1ug0 h ILE 31 Cb 1.94 0.42 -0.11 0.00 -0.74 0.00 0.00 36.82 38.33 1ug0 h ILE 31 CO 0.14 0.05 0.75 -0.62 0.00 0.00 0.00 178.15 178.47 1ug0 n GLU 32 N -5.25 -0.03 -0.09 2.37 1.02 0.29 0.18 120.64 119.13 1ug0 n GLU 32 Ca -0.10 1.01 -0.08 0.00 -0.02 0.00 0.00 57.16 57.97 1ug0 n GLU 32 Cb 0.31 -2.01 -0.02 0.00 -0.02 0.00 0.00 31.44 29.70 1ug0 n GLU 32 CO 0.00 0.00 0.00 -0.22 1.18 0.00 0.00 177.13 178.09 1ug0 h LYS 33 N 0.00 -0.25 -0.46 3.49 1.63 -1.64 0.81 116.57 120.14 1ug0 h LYS 33 Ca 0.72 0.02 -0.04 0.00 -0.85 0.00 0.00 60.65 60.49 1ug0 h LYS 33 Cb 2.36 0.06 -0.02 0.00 -0.60 0.00 0.00 32.23 34.03 1ug0 h LYS 33 CO -0.36 -0.17 0.12 1.25 -3.45 0.00 0.00 179.45 176.84 1ug0 h LEU 34 N -0.26 0.70 -0.65 5.20 6.46 0.17 0.30 115.31 127.23 1ug0 h LEU 34 Ca 0.16 -0.23 0.12 0.00 -0.12 0.00 0.00 57.88 57.81 1ug0 h LEU 34 Cb 0.52 -0.19 -0.08 0.00 -0.73 0.00 0.00 40.66 40.18 1ug0 h LEU 34 CO -0.49 0.75 0.21 0.00 -0.62 0.00 0.00 178.44 178.29 1ug0 h ALA 35 N 0.98 0.84 0.42 1.25 0.00 -0.53 0.64 119.26 122.86 1ug0 h ALA 35 Ca 0.15 0.11 -0.02 0.00 0.00 0.00 0.00 54.91 55.15 1ug0 h ALA 35 Cb 0.32 0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.23 1ug0 h ALA 35 CO 0.00 -0.24 -0.20 -0.09 0.00 0.00 0.00 179.25 178.72 1ug0 h ARG 36 N 0.36 -0.54 -0.80 0.00 2.43 0.91 -1.97 114.38 114.76 1ug0 h ARG 36 Ca 0.34 0.04 0.17 0.00 -0.81 0.00 0.00 59.98 59.72 1ug0 h ARG 36 Cb 0.49 0.12 -0.15 0.00 -0.42 0.00 0.00 29.97 30.01 1ug0 h ARG 36 CO -0.37 -0.36 -0.11 0.35 -1.51 0.00 0.00 179.97 177.96 1ug0 h PHE 37 N -1.08 -0.27 0.00 2.20 3.57 -0.17 1.56 116.94 122.76 1ug0 h PHE 37 Ca -0.06 0.07 0.00 0.00 3.53 0.00 0.00 57.97 61.51 1ug0 h PHE 37 Cb 0.43 0.24 0.00 0.00 2.79 0.00 0.00 35.95 39.41 1ug0 h PHE 37 CO 0.01 -0.32 0.00 0.28 -2.23 0.00 0.00 178.31 176.05 1ug0 n VAL 38 N -5.46 0.00 -0.33 1.41 0.31 0.22 -1.72 118.33 112.76 1ug0 n VAL 38 Ca 0.13 1.19 0.31 0.00 -0.01 0.00 0.00 64.34 65.96 1ug0 n VAL 38 Cb 0.46 -2.18 0.58 0.00 -0.91 0.00 0.00 33.84 31.79 1ug0 n VAL 38 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1ug0 h ALA 39 N -2.00 2.18 0.00 3.52 0.00 -1.03 1.43 119.26 123.37 1ug0 h ALA 39 Ca 0.00 0.24 0.01 0.00 0.00 0.00 0.00 54.91 55.16 1ug0 h ALA 39 Cb 0.00 0.29 -0.02 0.00 0.00 0.00 0.00 17.79 18.06 1ug0 h ALA 39 CO 0.00 -0.93 -0.16 0.93 0.00 0.00 0.00 179.25 179.09 1ug0 h GLU 40 N 0.06 -0.19 0.00 0.00 4.39 0.24 -3.36 114.58 115.73 1ug0 h GLU 40 Ca 0.83 0.01 0.00 0.00 0.34 0.00 0.00 59.36 60.54 1ug0 h GLU 40 Cb 2.18 0.04 0.00 0.00 -0.10 0.00 0.00 28.75 30.88 1ug0 h GLU 40 CO -0.71 -0.13 -0.23 0.78 -1.16 0.00 0.00 179.01 177.56 1ug0 h GLY 41 N -0.20 0.00 0.00 -3.84 0.00 0.07 -3.51 103.07 95.60 1ug0 h GLY 41 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1ug0 h GLY 41 CO -0.10 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.05 1ug0 n GLY 42 N 1.72 0.01 0.14 4.60 0.00 0.46 -4.89 105.19 107.23 1ug0 n GLY 42 Ca -0.03 -0.86 -0.09 0.00 0.00 0.00 0.00 46.02 45.04 1ug0 n GLY 42 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1ug0 h PRO 43 N 0.00 0.26 -0.62 1.61 0.13 -1.97 -3.09 132.00 128.31 1ug0 h PRO 43 Ca 0.00 -0.25 0.17 0.00 -0.87 0.00 0.00 66.00 65.05 1ug0 h PRO 43 Cb 0.00 0.07 -0.03 0.00 0.13 0.00 0.00 31.00 31.17 1ug0 h PRO 43 CO 0.00 0.94 0.44 0.93 -0.23 0.00 0.00 178.00 180.09 1ug0 h GLU 44 N 0.16 0.05 0.17 0.86 4.39 -1.94 -1.14 114.58 117.13 1ug0 h GLU 44 Ca -0.04 -0.00 -0.01 0.00 0.34 0.00 0.00 59.36 59.65 1ug0 h GLU 44 Cb 1.42 -0.01 0.00 0.00 -0.10 0.00 0.00 28.75 30.06 1ug0 h GLU 44 CO 0.13 0.03 -0.08 -0.07 -1.16 0.00 0.00 179.01 177.86 1ug0 h LEU 45 N 0.05 -0.19 -1.74 1.33 -0.00 -1.86 -0.65 115.31 112.24 1ug0 h LEU 45 Ca 0.30 -0.34 0.19 0.00 -0.00 0.00 0.00 57.88 58.03 1ug0 h LEU 45 Cb 1.12 0.05 -0.03 0.00 -0.00 0.00 0.00 40.66 41.80 1ug0 h LEU 45 CO -0.02 0.36 0.69 -0.08 -0.00 0.00 0.00 178.44 179.39 1ug0 h GLU 46 N -0.87 0.00 0.00 1.13 4.22 -1.27 1.57 114.58 119.36 1ug0 h GLU 46 Ca -0.02 0.00 -0.08 0.00 0.08 0.00 0.00 59.36 59.34 1ug0 h GLU 46 Cb 0.52 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.76 1ug0 h GLU 46 CO 0.04 0.00 -0.46 0.87 -2.18 0.00 0.00 179.01 177.28 1ug0 h LYS 47 N 0.00 0.00 -0.31 1.92 1.57 -1.20 -3.26 116.57 115.28 1ug0 h LYS 47 Ca 0.31 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 59.08 1ug0 h LYS 47 Cb 1.69 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 33.98 1ug0 h LYS 47 CO -0.00 0.91 0.13 0.28 -0.57 0.00 0.00 179.45 180.19 1ug0 h VAL 48 N -1.00 1.12 -0.53 0.50 2.07 0.92 -1.84 116.25 117.49 1ug0 h VAL 48 Ca -0.12 -0.37 0.07 0.00 0.82 0.00 0.00 66.70 67.09 1ug0 h VAL 48 Cb 1.03 0.75 -0.06 0.00 -1.52 0.00 0.00 31.29 31.49 1ug0 h VAL 48 CO -0.07 0.14 0.21 0.00 0.02 0.00 0.00 177.57 177.87 1ug0 h ALA 49 N 1.71 0.66 0.00 1.67 0.00 0.20 0.44 119.26 123.94 1ug0 h ALA 49 Ca 0.11 0.06 0.00 0.00 0.00 0.00 0.00 54.91 55.08 1ug0 h ALA 49 Cb 0.08 0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.89 1ug0 h ALA 49 CO -0.01 -0.18 0.00 0.52 0.00 0.00 0.00 179.25 179.58 1ug0 h MET 50 N 0.40 0.00 0.08 0.00 2.07 -1.38 0.66 114.93 116.76 1ug0 h MET 50 Ca 0.25 0.00 -0.29 0.00 -2.07 0.00 0.00 59.70 57.59 1ug0 h MET 50 Cb 0.26 0.00 -0.02 0.00 -1.87 0.00 0.00 31.60 29.97 1ug0 h MET 50 CO -0.24 0.00 -1.57 1.49 1.07 0.00 0.00 176.91 177.66 1ug0 h GLU 51 N 0.00 0.16 -0.54 1.72 4.57 -0.16 -1.57 114.58 118.75 1ug0 h GLU 51 Ca 0.00 -0.27 -0.09 0.00 -1.18 0.00 0.00 59.36 57.81 1ug0 h GLU 51 Cb 0.15 0.10 -0.02 0.00 -0.16 0.00 0.00 28.75 28.82 1ug0 h GLU 51 CO 0.00 1.13 -0.02 0.22 -1.18 0.00 0.00 179.01 179.16 1ug0 h ASP 52 N -0.42 0.93 -0.52 1.04 1.82 -0.22 -2.53 116.42 116.51 1ug0 h ASP 52 Ca -0.37 -0.26 0.00 0.00 -0.39 0.00 0.00 57.03 56.02 1ug0 h ASP 52 Cb 1.69 -0.25 0.00 0.00 0.68 0.00 0.00 39.33 41.45 1ug0 h ASP 52 CO -0.03 1.00 0.00 -1.22 -1.61 0.00 0.00 179.24 177.38 1ug0 n TYR 53 N -4.18 1.61 -0.11 0.28 4.01 0.18 -4.51 117.16 114.44 1ug0 n TYR 53 Ca 0.03 -0.72 0.27 0.00 -0.16 0.00 0.00 57.90 57.32 1ug0 n TYR 53 Cb 0.34 -0.37 0.71 0.00 -0.31 0.00 0.00 39.34 39.70 1ug0 n TYR 53 CO 0.00 0.00 0.00 1.57 -0.46 0.00 0.00 176.86 177.97 1ug0 h LYS 54 N 3.48 0.00 -2.13 -0.72 5.09 -0.82 -1.17 116.57 120.30 1ug0 h LYS 54 Ca 0.00 0.00 -0.54 0.00 0.09 0.00 0.00 60.65 60.20 1ug0 h LYS 54 Cb 1.67 0.00 -0.41 0.00 0.10 0.00 0.00 32.23 33.59 1ug0 h LYS 54 CO 0.34 0.00 -0.92 -0.25 -2.09 0.00 0.00 179.45 176.54 1ug0 n ASP 55 N -3.89 2.42 -3.79 7.07 8.00 -1.26 -5.04 116.55 120.06 1ug0 n ASP 55 Ca 0.16 -3.27 -0.24 0.00 0.71 0.00 0.00 54.79 52.15 1ug0 n ASP 55 Cb 0.96 -0.61 -0.17 0.00 -0.02 0.00 0.00 41.12 41.28 1ug0 n ASP 55 CO 0.00 0.00 0.00 0.20 -0.39 0.00 0.00 177.20 177.01 1ug0 s ASN 56 N -2.67 1.79 0.36 -2.24 0.02 -0.45 -5.00 114.94 106.75 1ug0 s ASN 56 Ca 0.43 -0.18 0.19 0.00 -1.02 0.00 0.00 52.86 52.28 1ug0 s ASN 56 Cb 0.28 -0.52 0.52 0.00 0.02 0.00 0.00 41.25 41.55 1ug0 s ASN 56 CO -0.10 -0.19 1.65 1.55 0.02 0.00 0.00 177.10 180.03 1ug0 h PRO 57 N 8.30 0.00 -0.01 -0.60 0.13 -1.96 0.13 132.00 137.98 1ug0 h PRO 57 Ca -0.21 0.00 -0.07 0.00 -0.87 0.00 0.00 66.00 64.85 1ug0 h PRO 57 Cb 1.13 0.00 0.01 0.00 0.13 0.00 0.00 31.00 32.26 1ug0 h PRO 57 CO 0.29 0.37 -0.27 0.00 -0.23 0.00 0.00 178.00 178.17 1ug0 h ALA 58 N 1.63 0.05 -0.56 -0.56 0.00 -1.97 -3.22 119.26 114.63 1ug0 h ALA 58 Ca -0.00 -0.46 -0.10 0.00 0.00 0.00 0.00 54.91 54.35 1ug0 h ALA 58 Cb 1.04 0.01 -0.06 0.00 0.00 0.00 0.00 17.79 18.78 1ug0 h ALA 58 CO 0.05 0.10 0.13 1.19 0.00 0.00 0.00 179.25 180.72 1ug0 n PHE 59 N -4.49 1.93 0.32 0.00 3.01 -1.21 -4.32 117.46 112.70 1ug0 n PHE 59 Ca -0.09 -0.84 0.07 0.00 1.01 0.00 0.00 57.45 57.60 1ug0 n PHE 59 Cb 0.50 -0.54 0.32 0.00 -0.01 0.00 0.00 39.48 39.76 1ug0 n PHE 59 CO 0.00 0.00 0.00 -2.37 1.01 0.00 0.00 176.76 175.40 1ug0 n THR 60 N 0.20 1.18 0.27 4.37 5.66 0.03 -1.93 114.28 124.07 1ug0 n THR 60 Ca 0.29 0.36 0.11 0.00 -3.05 0.00 0.00 64.05 61.76 1ug0 n THR 60 Cb 1.14 -1.24 0.52 0.00 -1.55 0.00 0.00 70.33 69.21 1ug0 n THR 60 CO 0.00 0.00 0.00 2.22 -3.05 0.00 0.00 175.07 174.24 1ug0 n PHE 61 N -1.77 0.73 0.48 1.09 1.16 -1.26 -2.80 117.46 115.09 1ug0 n PHE 61 Ca 0.02 0.33 -0.20 0.00 -1.87 0.00 0.00 57.45 55.73 1ug0 n PHE 61 Cb 0.13 -1.04 -0.10 0.00 -1.61 0.00 0.00 39.48 36.86 1ug0 n PHE 61 CO 0.00 0.00 0.00 -0.07 -1.87 0.00 0.00 176.76 174.82 1ug0 h LEU 62 N 0.00 -1.21 -5.90 5.98 4.07 -1.76 -3.15 115.31 113.34 1ug0 h LEU 62 Ca 0.00 0.06 -0.57 0.00 0.08 0.00 0.00 57.88 57.44 1ug0 h LEU 62 Cb 0.18 0.34 0.02 0.00 1.08 0.00 0.00 40.66 42.27 1ug0 h LEU 62 CO 0.00 -0.79 2.71 1.41 -1.08 0.00 0.00 178.44 180.69 1ug0 n HIS 63 N -5.63 2.04 -3.19 1.13 8.25 -1.12 -4.57 115.22 112.13 1ug0 n HIS 63 Ca -0.16 -2.19 0.05 0.00 -0.26 0.00 0.00 57.72 55.16 1ug0 n HIS 63 Cb 0.52 -1.92 -0.02 0.00 1.12 0.00 0.00 29.99 29.69 1ug0 n HIS 63 CO 0.00 0.00 0.00 0.34 0.64 0.00 0.00 176.34 177.32 1ug0 s ASP 64 N 3.88 -0.39 -0.68 0.41 -1.08 -1.19 -5.04 116.67 112.58 1ug0 s ASP 64 Ca 0.51 0.31 -0.00 0.00 -0.52 0.00 0.00 52.55 52.85 1ug0 s ASP 64 Cb 0.13 1.35 0.40 0.00 -1.46 0.00 0.00 42.92 43.34 1ug0 s ASP 64 CO 0.01 -0.07 1.81 0.29 0.52 0.00 0.00 175.17 177.74 1ug0 n LYS 65 N 5.29 2.92 0.00 4.34 4.01 -1.26 -4.30 118.16 129.16 1ug0 n LYS 65 Ca -0.07 -3.67 0.00 0.00 -0.51 0.00 0.00 58.31 54.06 1ug0 n LYS 65 Cb 0.54 -2.27 0.00 0.00 -0.51 0.00 0.00 35.03 32.78 1ug0 n LYS 65 CO 0.00 0.00 0.00 -1.71 -1.11 0.00 0.00 177.40 174.58 1ug0 n ASN 66 N -0.66 0.00 0.00 4.39 2.85 -1.26 -5.05 115.26 115.53 1ug0 n ASN 66 Ca 0.53 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 55.00 1ug0 n ASN 66 Cb 0.49 0.00 0.00 0.00 1.24 0.00 0.00 39.78 41.51 1ug0 n ASN 66 CO 0.00 0.00 0.00 -0.24 -2.11 0.00 0.00 177.26 174.91 1ug0 n SER 67 N 0.00 0.00 0.00 1.20 2.88 -1.26 -5.07 113.62 111.37 1ug0 n SER 67 Ca 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 1ug0 n SER 67 Cb 0.00 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.46 1ug0 n SER 67 CO 0.00 0.00 0.00 -2.11 -1.23 0.00 0.00 175.04 171.70 1ug0 n ARG 68 N -1.16 0.00 -0.02 -1.46 1.85 -1.26 -4.97 116.66 109.65 1ug0 n ARG 68 Ca 0.00 0.00 -0.17 0.00 -1.00 0.00 0.00 57.85 56.68 1ug0 n ARG 68 Cb 0.00 0.00 -0.14 0.00 -1.05 0.00 0.00 32.46 31.27 1ug0 n ARG 68 CO 0.00 0.00 0.00 0.39 -0.01 0.00 0.00 177.63 178.01 1ug0 n GLU 69 N 0.00 0.71 0.23 2.89 1.02 -1.26 -3.61 120.64 120.63 1ug0 n GLU 69 Ca 0.00 0.25 0.10 0.00 -0.02 0.00 0.00 57.16 57.50 1ug0 n GLU 69 Cb 0.00 -1.71 0.53 0.00 -0.02 0.00 0.00 31.44 30.24 1ug0 n GLU 69 CO 0.00 0.00 0.00 0.35 1.18 0.00 0.00 177.13 178.66 1ug0 h PHE 70 N 0.04 0.00 0.33 -0.32 3.57 -1.81 -1.76 116.94 117.00 1ug0 h PHE 70 Ca -0.40 0.00 -0.02 0.00 3.53 0.00 0.00 57.97 61.08 1ug0 h PHE 70 Cb 2.03 0.00 0.00 0.00 2.79 0.00 0.00 35.95 40.77 1ug0 h PHE 70 CO 0.05 0.21 -0.16 -0.07 -2.23 0.00 0.00 178.31 176.11 1ug0 h LEU 71 N 0.00 -0.38 -1.44 0.59 3.38 -1.87 -3.13 115.31 112.46 1ug0 h LEU 71 Ca -0.00 -0.02 0.13 0.00 0.09 0.00 0.00 57.88 58.07 1ug0 h LEU 71 Cb 0.63 0.10 -0.06 0.00 0.09 0.00 0.00 40.66 41.42 1ug0 h LEU 71 CO 0.03 0.07 0.52 0.22 0.09 0.00 0.00 178.44 179.37 1ug0 h TYR 72 N -1.10 0.66 0.06 1.13 3.20 -1.61 -2.17 116.97 117.14 1ug0 h TYR 72 Ca -0.05 0.02 0.02 0.00 3.14 0.00 0.00 58.73 61.87 1ug0 h TYR 72 Cb 0.38 -0.21 -0.05 0.00 1.54 0.00 0.00 36.73 38.39 1ug0 h TYR 72 CO 0.01 0.27 -0.41 -0.92 -1.64 0.00 0.00 178.16 175.48 1ug0 h TYR 73 N 0.59 -1.15 0.00 -3.82 3.20 -1.36 0.42 116.97 114.85 1ug0 h TYR 73 Ca 0.38 0.03 0.00 0.00 3.14 0.00 0.00 58.73 62.28 1ug0 h TYR 73 Cb 0.66 0.49 0.00 0.00 1.54 0.00 0.00 36.73 39.42 1ug0 h TYR 73 CO -0.00 -0.50 0.00 0.00 -1.64 0.00 0.00 178.16 176.02 1ug0 h ARG 74 N -0.60 0.00 0.00 1.82 2.47 -1.35 0.22 114.38 116.93 1ug0 h ARG 74 Ca 0.04 0.00 -0.06 0.00 -1.26 0.00 0.00 59.98 58.70 1ug0 h ARG 74 Cb 0.66 0.00 -0.01 0.00 -1.65 0.00 0.00 29.97 28.97 1ug0 h ARG 74 CO -0.27 0.00 -0.81 0.00 0.56 0.00 0.00 179.97 179.45 1ug0 h ARG 75 N 0.00 0.00 0.08 0.04 2.47 -0.04 -3.26 114.38 113.67 1ug0 h ARG 75 Ca 0.00 0.00 -0.37 0.00 -1.26 0.00 0.00 59.98 58.35 1ug0 h ARG 75 Cb 0.21 0.00 -0.04 0.00 -1.65 0.00 0.00 29.97 28.50 1ug0 h ARG 75 CO 0.00 0.15 -2.17 1.63 0.56 0.00 0.00 179.97 180.14 1ug0 n LYS 76 N -2.91 0.72 -0.21 0.04 4.76 0.12 -4.06 118.16 116.61 1ug0 n LYS 76 Ca -0.01 0.22 0.02 0.00 -2.87 0.00 0.00 58.31 55.66 1ug0 n LYS 76 Cb 0.65 -1.64 0.12 0.00 -1.84 0.00 0.00 35.03 32.32 1ug0 n LYS 76 CO 0.00 0.00 0.00 -0.39 -1.37 0.00 0.00 177.40 175.64 1ug0 h VAL 77 N 0.04 0.61 -0.64 -0.18 -1.51 -0.79 0.18 116.25 113.97 1ug0 h VAL 77 Ca -0.48 -0.09 0.10 0.00 -1.23 0.00 0.00 66.70 65.00 1ug0 h VAL 77 Cb 1.99 0.32 -0.08 0.00 -2.13 0.00 0.00 31.29 31.40 1ug0 h VAL 77 CO 0.02 0.05 0.24 0.00 -1.23 0.00 0.00 177.57 176.65 1ug0 h ALA 78 N 1.51 0.84 0.32 5.19 0.00 -1.73 2.39 119.26 127.78 1ug0 h ALA 78 Ca 0.34 0.09 -0.01 0.00 0.00 0.00 0.00 54.91 55.33 1ug0 h ALA 78 Cb 0.52 0.07 -0.00 0.00 0.00 0.00 0.00 17.79 18.38 1ug0 h ALA 78 CO -0.43 -0.20 -0.20 1.49 0.00 0.00 0.00 179.25 179.91 1ug0 h GLU 79 N 0.41 -0.47 -0.91 0.00 4.57 -0.78 -1.64 114.58 115.75 1ug0 h GLU 79 Ca 0.33 0.03 0.07 0.00 -1.18 0.00 0.00 59.36 58.61 1ug0 h GLU 79 Cb 0.43 0.11 -0.07 0.00 -0.16 0.00 0.00 28.75 29.06 1ug0 h GLU 79 CO -0.33 -0.32 0.57 0.97 -1.18 0.00 0.00 179.01 178.72 1ug0 h ILE 80 N -0.49 1.03 -0.08 2.32 -0.00 -0.90 -2.93 117.51 116.45 1ug0 h ILE 80 Ca -0.04 -0.35 0.01 0.00 -0.00 0.00 0.00 64.86 64.48 1ug0 h ILE 80 Cb 0.40 -0.07 -0.01 0.00 -0.00 0.00 0.00 36.82 37.13 1ug0 h ILE 80 CO 0.04 0.19 -0.08 0.03 -0.00 0.00 0.00 178.15 178.32 1ug0 h ARG 81 N 1.01 -0.04 -6.94 2.19 2.47 0.43 -3.39 114.38 110.11 1ug0 h ARG 81 Ca 0.41 0.00 -0.54 0.00 -1.26 0.00 0.00 59.98 58.59 1ug0 h ARG 81 Cb 0.22 0.01 0.10 0.00 -1.65 0.00 0.00 29.97 28.65 1ug0 h ARG 81 CO -0.19 -0.03 0.73 0.15 0.56 0.00 0.00 179.97 181.20 1ug0 s LYS 82 N -3.37 4.07 -0.15 0.04 -0.14 -0.64 -4.93 119.74 114.63 1ug0 s LYS 82 Ca -0.02 2.46 -0.03 0.00 -1.36 0.00 0.00 55.97 57.02 1ug0 s LYS 82 Cb 0.01 -2.92 -0.08 0.00 -1.68 0.00 0.00 37.83 33.16 1ug0 s LYS 82 CO 0.09 -0.52 -0.16 0.43 -0.76 0.00 0.00 175.35 174.42 1ug0 n SER 83 N 0.38 2.03 0.00 2.83 7.64 -1.26 -4.90 113.62 120.34 1ug0 n SER 83 Ca 0.02 0.05 0.00 0.00 1.01 0.00 0.00 58.87 59.94 1ug0 n SER 83 Cb 0.40 -0.33 0.00 0.00 -1.01 0.00 0.00 64.21 63.27 1ug0 n SER 83 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1ug0 n GLY 84 N 2.45 0.60 0.00 0.23 0.00 -1.26 -5.01 105.19 102.20 1ug0 n GLY 84 Ca -0.28 -0.09 0.00 0.00 0.00 0.00 0.00 46.02 45.65 1ug0 n GLY 84 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1ug0 n PRO 85 N 0.00 0.00 0.00 1.61 -0.04 -1.26 -5.07 135.00 130.24 1ug0 n PRO 85 Ca 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.46 1ug0 n PRO 85 Cb 0.00 -0.19 0.00 0.00 -0.04 0.00 0.00 33.50 33.27 1ug0 n PRO 85 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1ug0 n SER 86 N -0.07 0.00 -4.51 3.54 2.88 -1.26 -5.12 113.62 109.08 1ug0 n SER 86 Ca 0.00 0.00 -0.43 0.00 -1.33 0.00 0.00 58.87 57.11 1ug0 n SER 86 Cb 0.00 0.00 -0.06 0.00 -0.75 0.00 0.00 64.21 63.40 1ug0 n SER 86 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 1ug0 s SER 87 N 0.00 6.33 0.00 -3.46 0.15 -1.26 -5.17 113.70 110.29 1ug0 s SER 87 Ca 0.00 -0.37 0.00 0.00 0.70 0.00 0.00 55.95 56.28 1ug0 s SER 87 Cb 0.00 -2.35 0.00 0.00 -1.71 0.00 0.00 66.02 61.96 1ug0 s SER 87 CO 0.00 -0.89 0.14 0.61 1.20 0.00 0.00 173.24 174.30