#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x59 n SER 2 N 0.00 -7.81 -0.75 1.61 7.64 -1.26 -4.91 113.62 108.15 1x59 n SER 2 Ca 0.00 0.91 0.10 0.00 1.01 0.00 0.00 58.87 60.88 1x59 n SER 2 Cb 0.00 -4.99 -0.03 0.00 -1.01 0.00 0.00 64.21 58.18 1x59 n SER 2 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 1x59 n SER 3 N 0.25 -4.48 -1.32 6.43 2.88 -1.26 -5.07 113.62 111.05 1x59 n SER 3 Ca 0.05 0.51 0.17 0.00 -1.33 0.00 0.00 58.87 58.27 1x59 n SER 3 Cb 0.27 -2.40 -0.06 0.00 -0.75 0.00 0.00 64.21 61.27 1x59 n SER 3 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1x59 n GLY 4 N -3.35 -2.30 3.55 0.46 0.00 -1.26 -5.05 105.19 97.25 1x59 n GLY 4 Ca -0.02 -1.16 -0.15 0.00 0.00 0.00 0.00 46.02 44.70 1x59 n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1x59 s SER 5 N -6.91 -0.67 -0.13 1.61 1.04 -1.26 -4.96 113.70 102.41 1x59 s SER 5 Ca 0.00 1.15 -0.13 0.00 0.48 0.00 0.00 55.95 57.46 1x59 s SER 5 Cb 0.00 1.13 0.03 0.00 0.10 0.00 0.00 66.02 67.28 1x59 s SER 5 CO 0.00 -0.34 0.36 -0.55 0.98 0.00 0.00 173.24 173.69 1x59 s SER 6 N -0.10 -0.37 0.00 7.02 0.15 -1.26 -4.96 113.70 114.18 1x59 s SER 6 Ca -0.03 0.69 0.00 0.00 0.70 0.00 0.00 55.95 57.31 1x59 s SER 6 Cb -0.04 0.71 0.00 0.00 -1.71 0.00 0.00 66.02 64.99 1x59 s SER 6 CO 0.03 -0.14 0.00 0.61 1.20 0.00 0.00 173.24 174.94 1x59 n GLY 7 N 2.79 -3.30 0.00 9.45 0.00 -1.26 -4.29 105.19 108.58 1x59 n GLY 7 Ca -0.13 -1.95 0.00 0.00 0.00 0.00 0.00 46.02 43.94 1x59 n GLY 7 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1x59 n MET 8 N -0.19 0.00 -0.12 1.61 0.00 -1.26 -3.34 117.12 113.82 1x59 n MET 8 Ca 0.00 0.43 -0.05 0.00 0.00 0.00 0.00 57.70 58.09 1x59 n MET 8 Cb 0.00 -1.24 0.03 0.00 0.00 0.00 0.00 33.22 32.01 1x59 n MET 8 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 1x59 h ALA 9 N -2.00 0.37 0.00 3.04 0.00 -1.99 0.18 119.26 118.87 1x59 h ALA 9 Ca 0.00 0.11 -0.07 0.00 0.00 0.00 0.00 54.91 54.95 1x59 h ALA 9 Cb 0.00 0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.96 1x59 h ALA 9 CO 0.00 -0.38 -0.33 0.93 0.00 0.00 0.00 179.25 179.47 1x59 h GLU 10 N 0.12 0.00 0.03 0.00 4.39 -1.76 -1.71 114.58 115.65 1x59 h GLU 10 Ca 0.20 0.00 -0.24 0.00 0.34 0.00 0.00 59.36 59.65 1x59 h GLU 10 Cb 0.27 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 28.90 1x59 h GLU 10 CO -0.32 0.33 -1.21 -0.09 -1.16 0.00 0.00 179.01 176.56 1x59 h ARG 11 N 0.00 0.07 -0.96 2.33 1.12 -1.29 -3.26 114.38 112.39 1x59 h ARG 11 Ca -0.00 -0.13 0.01 0.00 -1.11 0.00 0.00 59.98 58.75 1x59 h ARG 11 Cb 0.69 0.05 -0.05 0.00 -0.01 0.00 0.00 29.97 30.65 1x59 h ARG 11 CO 0.04 0.97 0.63 0.00 -3.11 0.00 0.00 179.97 178.50 1x59 h ALA 12 N 0.87 1.30 -0.91 2.80 0.00 0.11 0.26 119.26 123.70 1x59 h ALA 12 Ca -0.10 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.74 1x59 h ALA 12 Cb 1.87 -0.39 -0.04 0.00 0.00 0.00 0.00 17.79 19.23 1x59 h ALA 12 CO 0.14 0.64 0.57 0.00 0.00 0.00 0.00 179.25 180.60 1x59 h ALA 13 N 1.39 1.15 0.00 0.00 0.00 -1.45 0.08 119.26 120.43 1x59 h ALA 13 Ca 0.35 -0.09 -0.17 0.00 0.00 0.00 0.00 54.91 55.00 1x59 h ALA 13 Cb -0.14 -0.37 -0.02 0.00 0.00 0.00 0.00 17.79 17.26 1x59 h ALA 13 CO -0.08 0.59 -0.82 -0.07 0.00 0.00 0.00 179.25 178.87 1x59 h LEU 14 N 1.24 0.00 -0.57 0.00 3.38 -1.37 -1.56 115.31 116.43 1x59 h LEU 14 Ca 0.33 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.28 1x59 h LEU 14 Cb -0.09 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 40.63 1x59 h LEU 14 CO -0.07 0.82 0.31 -0.33 0.09 0.00 0.00 178.44 179.26 1x59 h GLU 15 N 0.00 0.80 -0.27 1.13 4.39 -0.24 -1.16 114.58 119.24 1x59 h GLU 15 Ca -0.01 -0.10 0.05 0.00 0.34 0.00 0.00 59.36 59.64 1x59 h GLU 15 Cb 1.51 -0.15 -0.05 0.00 -0.10 0.00 0.00 28.75 29.96 1x59 h GLU 15 CO 0.11 0.62 -0.02 1.49 -1.16 0.00 0.00 179.01 180.04 1x59 h GLU 16 N 0.77 0.05 0.05 2.33 4.81 -0.64 0.16 114.58 122.11 1x59 h GLU 16 Ca 0.20 -0.00 0.02 0.00 -0.13 0.00 0.00 59.36 59.45 1x59 h GLU 16 Cb 0.06 -0.01 -0.04 0.00 0.63 0.00 0.00 28.75 29.39 1x59 h GLU 16 CO -0.03 0.03 -0.24 -0.07 -0.73 0.00 0.00 179.01 177.97 1x59 h LEU 17 N 0.05 -0.70 -0.24 1.64 3.38 -1.04 -0.19 115.31 118.21 1x59 h LEU 17 Ca 0.13 0.09 -0.00 0.00 0.09 0.00 0.00 57.88 58.19 1x59 h LEU 17 Cb 0.18 0.28 -0.01 0.00 0.09 0.00 0.00 40.66 41.20 1x59 h LEU 17 CO -0.24 -0.32 0.14 0.58 0.09 0.00 0.00 178.44 178.69 1x59 h VAL 18 N -0.40 1.11 0.15 1.22 2.07 -0.91 0.12 116.25 119.60 1x59 h VAL 18 Ca 0.05 -0.28 0.02 0.00 0.82 0.00 0.00 66.70 67.31 1x59 h VAL 18 Cb 0.46 0.86 -0.04 0.00 -1.52 0.00 0.00 31.29 31.05 1x59 h VAL 18 CO -0.18 0.10 -0.46 0.50 0.02 0.00 0.00 177.57 177.56 1x59 h LYS 19 N 0.28 -0.68 -0.38 1.57 3.64 -0.49 0.24 116.57 120.74 1x59 h LYS 19 Ca 0.08 0.05 -0.13 0.00 -1.27 0.00 0.00 60.65 59.38 1x59 h LYS 19 Cb 0.05 0.16 -0.01 0.00 -0.41 0.00 0.00 32.23 32.01 1x59 h LYS 19 CO -0.01 -0.45 -0.29 -0.07 -2.27 0.00 0.00 179.45 176.35 1x59 h LEU 20 N -0.71 0.86 -0.20 5.20 -0.00 -0.99 0.51 115.31 119.99 1x59 h LEU 20 Ca 0.01 -0.35 -0.00 0.00 -0.00 0.00 0.00 57.88 57.54 1x59 h LEU 20 Cb 0.72 -0.24 -0.01 0.00 -0.00 0.00 0.00 40.66 41.13 1x59 h LEU 20 CO -0.25 1.09 0.11 -0.61 -0.00 0.00 0.00 178.44 178.78 1x59 h GLN 21 N 0.70 0.28 -0.17 1.13 5.75 -0.78 0.11 115.11 122.13 1x59 h GLN 21 Ca 0.08 -0.03 -0.18 0.00 -0.15 0.00 0.00 58.65 58.37 1x59 h GLN 21 Cb 0.84 -0.05 -0.00 0.00 1.07 0.00 0.00 27.48 29.33 1x59 h GLN 21 CO 0.07 0.27 -0.62 0.78 -2.65 0.00 0.00 178.83 176.68 1x59 h GLY 22 N 0.21 0.66 0.95 2.39 0.00 -0.36 -1.34 103.07 105.58 1x59 h GLY 22 Ca 0.07 -0.82 -0.00 0.00 0.00 0.00 0.00 47.33 46.57 1x59 h GLY 22 CO -0.01 0.73 0.12 0.83 0.00 0.00 0.00 176.54 178.22 1x59 h GLU 23 N 0.44 0.31 -0.25 4.80 5.08 -0.88 -2.90 114.58 121.18 1x59 h GLU 23 Ca -0.01 -0.03 0.05 0.00 -1.00 0.00 0.00 59.36 58.37 1x59 h GLU 23 Cb 1.19 -0.06 -0.05 0.00 0.50 0.00 0.00 28.75 30.33 1x59 h GLU 23 CO 0.12 0.28 -0.09 -0.09 -1.00 0.00 0.00 179.01 178.22 1x59 h ARG 24 N 0.25 -0.04 -0.60 2.33 2.43 -0.30 0.11 114.38 118.56 1x59 h ARG 24 Ca 0.08 0.00 0.09 0.00 -0.81 0.00 0.00 59.98 59.35 1x59 h ARG 24 Cb 0.06 0.01 -0.07 0.00 -0.42 0.00 0.00 29.97 29.54 1x59 h ARG 24 CO -0.01 -0.03 0.22 0.28 -1.51 0.00 0.00 179.97 178.91 1x59 h VAL 25 N -0.05 0.76 -0.01 0.20 2.07 -1.28 0.36 116.25 118.31 1x59 h VAL 25 Ca 0.13 -0.13 -0.00 0.00 0.82 0.00 0.00 66.70 67.51 1x59 h VAL 25 Cb 0.24 0.34 -0.00 0.00 -1.52 0.00 0.00 31.29 30.34 1x59 h VAL 25 CO -0.28 0.07 0.01 0.03 0.02 0.00 0.00 177.57 177.42 1x59 h ARG 26 N 0.39 0.02 -0.95 1.57 3.08 -1.09 -1.38 114.38 116.03 1x59 h ARG 26 Ca 0.30 -0.00 0.05 0.00 0.07 0.00 0.00 59.98 60.40 1x59 h ARG 26 Cb 0.38 -0.00 -0.06 0.00 0.08 0.00 0.00 29.97 30.37 1x59 h ARG 26 CO -0.31 0.14 0.62 0.78 -1.07 0.00 0.00 179.97 180.12 1x59 h GLY 27 N -0.11 1.39 0.88 0.04 0.00 -0.16 -1.13 103.07 103.98 1x59 h GLY 27 Ca 0.00 -0.45 -0.09 0.00 0.00 0.00 0.00 47.33 46.79 1x59 h GLY 27 CO -0.00 0.36 -0.21 1.41 0.00 0.00 0.00 176.54 178.10 1x59 h LEU 28 N 1.14 0.60 -0.64 3.11 3.38 -0.13 0.70 115.31 123.47 1x59 h LEU 28 Ca 0.39 -0.46 0.03 0.00 0.09 0.00 0.00 57.88 57.93 1x59 h LEU 28 Cb 0.10 -0.17 -0.04 0.00 0.09 0.00 0.00 40.66 40.64 1x59 h LEU 28 CO -0.14 0.94 0.39 0.11 0.09 0.00 0.00 178.44 179.83 1x59 h LYS 29 N 0.27 0.74 -0.65 1.13 1.57 -0.90 -0.75 116.57 117.98 1x59 h LYS 29 Ca 0.04 -0.04 -0.01 0.00 -1.87 0.00 0.00 60.65 58.77 1x59 h LYS 29 Cb 0.76 -0.17 -0.03 0.00 0.08 0.00 0.00 32.23 32.87 1x59 h LYS 29 CO 0.05 0.49 0.38 0.37 -0.57 0.00 0.00 179.45 180.17 1x59 h GLN 30 N 0.76 0.88 0.00 3.15 4.15 -0.98 -1.81 115.11 121.26 1x59 h GLN 30 Ca 0.26 -0.08 0.00 0.00 0.77 0.00 0.00 58.65 59.60 1x59 h GLN 30 Cb 0.04 -0.18 0.00 0.00 0.21 0.00 0.00 27.48 27.55 1x59 h GLN 30 CO -0.11 0.64 0.00 0.00 -1.93 0.00 0.00 178.83 177.42 1x59 n GLN 31 N -4.57 0.15 -3.69 1.69 10.64 0.22 -4.88 117.38 116.94 1x59 n GLN 31 Ca 0.05 0.16 -0.28 0.00 -1.83 0.00 0.00 57.00 55.10 1x59 n GLN 31 Cb 0.06 -1.50 0.03 0.00 -0.86 0.00 0.00 30.24 27.97 1x59 n GLN 31 CO 0.00 0.00 0.00 1.63 -1.83 0.00 0.00 177.06 176.86 1x59 n LYS 32 N -1.37 -5.55 -0.65 2.61 5.02 -0.41 -5.01 118.16 112.80 1x59 n LYS 32 Ca 0.07 0.65 -0.29 0.00 -2.02 0.00 0.00 58.31 56.72 1x59 n LYS 32 Cb 0.16 -5.55 0.21 0.00 -0.02 0.00 0.00 35.03 29.84 1x59 n LYS 32 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1x59 s ALA 33 N -3.24 0.36 0.32 7.82 0.00 -0.49 -4.93 121.76 121.60 1x59 s ALA 33 Ca 0.58 0.13 -0.29 0.00 0.00 0.00 0.00 51.96 52.37 1x59 s ALA 33 Cb -0.28 -3.31 -0.11 0.00 0.00 0.00 0.00 23.12 19.41 1x59 s ALA 33 CO 0.72 -3.35 1.50 -1.12 0.00 0.00 0.00 175.76 173.51 1x59 s SER 34 N -2.65 6.45 0.28 0.00 0.01 -1.26 -4.84 113.70 111.69 1x59 s SER 34 Ca 0.67 2.91 -0.01 0.00 1.31 0.00 0.00 55.95 60.83 1x59 s SER 34 Cb -0.24 -2.64 0.45 0.00 0.21 0.00 0.00 66.02 63.80 1x59 s SER 34 CO 0.62 -0.83 1.89 0.00 0.41 0.00 0.00 173.24 175.33 1x59 h ALA 35 N 4.16 1.44 0.00 1.44 0.00 -1.99 -2.03 119.26 122.27 1x59 h ALA 35 Ca -0.48 -0.02 -0.06 0.00 0.00 0.00 0.00 54.91 54.35 1x59 h ALA 35 Cb 1.23 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 18.72 1x59 h ALA 35 CO 0.73 0.41 -0.27 0.93 0.00 0.00 0.00 179.25 181.05 1x59 h GLU 36 N 1.13 0.00 0.01 0.00 5.08 -1.99 0.62 114.58 119.43 1x59 h GLU 36 Ca 0.43 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.77 1x59 h GLU 36 Cb 0.20 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.45 1x59 h GLU 36 CO -0.17 0.27 -0.09 1.25 -1.00 0.00 0.00 179.01 179.27 1x59 h LEU 37 N 0.00 0.06 -0.20 1.33 5.85 -1.80 -3.19 115.31 117.36 1x59 h LEU 37 Ca -0.00 -0.89 0.06 0.00 0.84 0.00 0.00 57.88 57.88 1x59 h LEU 37 Cb 0.59 -0.02 -0.07 0.00 0.37 0.00 0.00 40.66 41.53 1x59 h LEU 37 CO 0.04 0.95 -0.31 0.40 -0.34 0.00 0.00 178.44 179.17 1x59 h ILE 38 N -0.82 0.29 -0.11 4.05 2.04 -0.95 -0.19 117.51 121.82 1x59 h ILE 38 Ca -0.01 0.00 -0.06 0.00 1.00 0.00 0.00 64.86 65.79 1x59 h ILE 38 Cb 0.97 0.29 -0.01 0.00 -0.74 0.00 0.00 36.82 37.33 1x59 h ILE 38 CO 0.02 0.00 -0.19 1.05 0.00 0.00 0.00 178.15 179.02 1x59 h GLU 39 N -0.35 0.18 -0.30 2.37 4.11 -1.03 0.23 114.58 119.79 1x59 h GLU 39 Ca 0.12 -0.05 -0.16 0.00 0.07 0.00 0.00 59.36 59.34 1x59 h GLU 39 Cb 0.53 -0.02 -0.00 0.00 0.50 0.00 0.00 28.75 29.76 1x59 h GLU 39 CO -0.39 0.38 -0.42 0.93 0.07 0.00 0.00 179.01 179.57 1x59 h GLU 40 N 0.17 0.82 0.00 1.06 5.08 -1.48 0.02 114.58 120.25 1x59 h GLU 40 Ca 0.03 -0.48 -0.10 0.00 -1.00 0.00 0.00 59.36 57.81 1x59 h GLU 40 Cb 0.45 0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.72 1x59 h GLU 40 CO 0.03 1.11 -0.50 0.93 -1.00 0.00 0.00 179.01 179.58 1x59 h GLU 41 N 0.59 0.00 -0.16 2.33 4.39 -0.23 -1.34 114.58 120.17 1x59 h GLU 41 Ca 0.03 0.00 -0.04 0.00 0.34 0.00 0.00 59.36 59.69 1x59 h GLU 41 Cb 1.02 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 29.67 1x59 h GLU 41 CO 0.10 0.50 -0.06 0.28 -1.16 0.00 0.00 179.01 178.66 1x59 h VAL 42 N 0.00 1.31 -0.45 3.13 2.07 -0.46 0.87 116.25 122.72 1x59 h VAL 42 Ca -0.00 -1.08 0.06 0.00 0.82 0.00 0.00 66.70 66.50 1x59 h VAL 42 Cb 0.93 1.70 -0.05 0.00 -1.52 0.00 0.00 31.29 32.34 1x59 h VAL 42 CO 0.06 0.32 0.14 0.00 0.02 0.00 0.00 177.57 178.12 1x59 h ALA 43 N 0.68 0.53 -0.24 1.67 0.00 -0.74 0.21 119.26 121.38 1x59 h ALA 43 Ca 0.04 0.07 0.00 0.00 0.00 0.00 0.00 54.91 55.01 1x59 h ALA 43 Cb 0.52 0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.35 1x59 h ALA 43 CO 0.02 -0.25 0.15 0.87 0.00 0.00 0.00 179.25 180.04 1x59 h LYS 44 N 0.30 0.32 -0.45 0.00 1.57 -1.22 -1.63 116.57 115.46 1x59 h LYS 44 Ca 0.22 -0.02 0.06 0.00 -1.87 0.00 0.00 60.65 59.03 1x59 h LYS 44 Cb 0.23 -0.07 -0.05 0.00 0.08 0.00 0.00 32.23 32.42 1x59 h LYS 44 CO -0.23 0.23 0.15 1.25 -0.57 0.00 0.00 179.45 180.28 1x59 h LEU 45 N 0.31 0.15 0.12 2.94 5.85 -0.05 -0.15 115.31 124.49 1x59 h LEU 45 Ca 0.09 0.05 -0.01 0.00 0.84 0.00 0.00 57.88 58.85 1x59 h LEU 45 Cb -0.01 0.04 0.00 0.00 0.37 0.00 0.00 40.66 41.06 1x59 h LEU 45 CO -0.02 0.12 -0.06 -0.07 -0.34 0.00 0.00 178.44 178.07 1x59 h LEU 46 N 0.32 -0.14 -0.60 2.25 3.38 -0.44 -0.13 115.31 119.95 1x59 h LEU 46 Ca 0.21 -0.06 -0.15 0.00 0.09 0.00 0.00 57.88 57.97 1x59 h LEU 46 Cb 0.21 0.04 -0.01 0.00 0.09 0.00 0.00 40.66 40.99 1x59 h LEU 46 CO -0.22 -0.03 -0.54 0.07 0.09 0.00 0.00 178.44 177.81 1x59 h LYS 47 N -0.24 0.44 0.18 1.13 2.10 -1.13 -2.23 116.57 116.82 1x59 h LYS 47 Ca -0.02 -0.27 0.01 0.00 -2.00 0.00 0.00 60.65 58.37 1x59 h LYS 47 Cb 0.19 0.03 -0.03 0.00 -0.90 0.00 0.00 32.23 31.52 1x59 h LYS 47 CO 0.03 0.87 -0.24 -0.07 -2.00 0.00 0.00 179.45 178.03 1x59 h LEU 48 N 0.34 -0.67 -2.58 7.07 3.38 -0.95 -2.44 115.31 119.46 1x59 h LEU 48 Ca 0.01 0.07 0.01 0.00 0.09 0.00 0.00 57.88 58.06 1x59 h LEU 48 Cb 1.05 0.24 -0.00 0.00 0.09 0.00 0.00 40.66 42.05 1x59 h LEU 48 CO 0.10 -0.34 0.08 0.11 0.09 0.00 0.00 178.44 178.47 1x59 h LYS 49 N -0.48 0.00 -0.14 1.13 1.57 -0.79 0.22 116.57 118.07 1x59 h LYS 49 Ca 0.01 0.00 -0.22 0.00 -1.87 0.00 0.00 60.65 58.57 1x59 h LYS 49 Cb 0.48 0.00 0.01 0.00 0.08 0.00 0.00 32.23 32.79 1x59 h LYS 49 CO -0.10 0.00 -0.78 0.00 -0.57 0.00 0.00 179.45 178.01 1x59 h ALA 50 N 1.87 0.36 -0.36 3.86 0.00 -0.93 -3.21 119.26 120.85 1x59 h ALA 50 Ca 0.02 -0.60 -0.04 0.00 0.00 0.00 0.00 54.91 54.29 1x59 h ALA 50 Cb 0.18 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 17.93 1x59 h ALA 50 CO -0.00 0.70 0.07 1.96 0.00 0.00 0.00 179.25 181.98 1x59 h GLN 51 N 0.49 0.53 0.00 0.00 4.20 -0.69 -1.52 115.11 118.12 1x59 h GLN 51 Ca -0.05 -0.09 0.00 0.00 0.06 0.00 0.00 58.65 58.57 1x59 h GLN 51 Cb 1.39 -0.09 0.00 0.00 0.30 0.00 0.00 27.48 29.09 1x59 h GLN 51 CO 0.15 0.51 0.00 1.28 -0.67 0.00 0.00 178.83 180.10 1x59 n LEU 52 N -4.33 0.00 -4.46 1.46 7.99 -0.92 -3.72 117.00 113.03 1x59 n LEU 52 Ca 0.02 0.33 -0.43 0.00 -0.01 0.00 0.00 56.01 55.92 1x59 n LEU 52 Cb 0.20 -0.33 -0.05 0.00 -0.11 0.00 0.00 43.42 43.13 1x59 n LEU 52 CO 0.38 -0.28 0.55 -0.83 -1.51 0.00 0.00 177.39 175.70 1x59 s GLY 53 N -2.66 1.58 -0.53 -0.72 0.00 -0.57 -4.96 107.32 99.45 1x59 s GLY 53 Ca 0.04 -1.71 -0.05 0.00 0.00 0.00 0.00 44.72 43.00 1x59 s GLY 53 CO 0.07 1.78 2.37 -1.55 0.00 0.00 0.00 173.10 175.77 1x59 n PRO 54 N 6.90 1.83 -1.70 2.90 -0.04 -1.24 -4.90 135.00 138.74 1x59 n PRO 54 Ca -0.04 -1.12 -0.29 0.00 -0.04 0.00 0.00 63.50 62.01 1x59 n PRO 54 Cb 0.45 -2.17 0.11 0.00 -0.04 0.00 0.00 33.50 31.85 1x59 n PRO 54 CO 0.00 0.00 0.00 0.34 -0.04 0.00 0.00 175.50 175.80 1x59 s ASP 55 N 2.80 4.04 -0.16 3.54 -1.08 -1.26 -4.96 116.67 119.59 1x59 s ASP 55 Ca 0.44 0.92 -0.29 0.00 -0.52 0.00 0.00 52.55 53.09 1x59 s ASP 55 Cb 0.16 -1.48 -0.04 0.00 -1.46 0.00 0.00 42.92 40.10 1x59 s ASP 55 CO -0.02 -2.21 1.77 -0.70 0.52 0.00 0.00 175.17 174.53 1x59 s GLU 56 N -5.39 3.80 1.00 4.34 2.12 -1.26 -4.99 118.70 118.31 1x59 s GLU 56 Ca 0.63 1.93 -0.12 0.00 0.36 0.00 0.00 54.97 57.77 1x59 s GLU 56 Cb -0.13 -4.10 0.19 0.00 0.26 0.00 0.00 34.13 30.35 1x59 s GLU 56 CO 0.52 -1.31 1.08 -1.12 -0.54 0.00 0.00 175.26 173.89 1x59 s SER 57 N 4.77 2.56 0.28 -1.70 0.01 -1.26 -4.99 113.70 113.36 1x59 s SER 57 Ca 0.79 1.34 -0.29 0.00 1.31 0.00 0.00 55.95 59.09 1x59 s SER 57 Cb -0.30 -2.02 -0.14 0.00 0.21 0.00 0.00 66.02 63.77 1x59 s SER 57 CO 0.32 -3.19 1.19 0.29 0.41 0.00 0.00 173.24 172.26 1x59 n LYS 58 N -4.23 1.69 -0.03 12.44 4.01 -1.26 -4.91 118.16 125.87 1x59 n LYS 58 Ca 0.05 0.60 -0.03 0.00 -0.51 0.00 0.00 58.31 58.42 1x59 n LYS 58 Cb 0.56 -2.10 -0.04 0.00 -0.51 0.00 0.00 35.03 32.93 1x59 n LYS 58 CO 0.00 0.00 0.00 0.94 -1.11 0.00 0.00 177.40 177.23 1x59 n GLN 59 N 1.11 2.58 -3.92 1.97 0.00 -1.26 -5.05 117.38 112.81 1x59 n GLN 59 Ca 0.09 0.00 -0.09 0.00 -0.00 0.00 0.00 57.00 57.01 1x59 n GLN 59 Cb 0.32 -1.15 -0.07 0.00 0.00 0.00 0.00 30.24 29.34 1x59 n GLN 59 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.06 177.27 1x59 s LYS 60 N -2.14 0.98 -0.38 3.69 2.20 -1.26 -5.09 119.74 117.73 1x59 s LYS 60 Ca -0.04 -1.07 -0.27 0.00 -0.36 0.00 0.00 55.97 54.23 1x59 s LYS 60 Cb 0.02 0.35 -0.05 0.00 -1.51 0.00 0.00 37.83 36.64 1x59 s LYS 60 CO 0.23 -0.33 2.24 0.12 -0.36 0.00 0.00 175.35 177.25 1x59 s PHE 61 N -3.91 1.21 -0.38 4.03 5.36 -1.26 -4.81 117.98 118.21 1x59 s PHE 61 Ca 0.11 1.04 0.10 0.00 -0.96 0.00 0.00 56.93 57.21 1x59 s PHE 61 Cb 0.04 -3.80 0.30 0.00 -0.34 0.00 0.00 43.02 39.22 1x59 s PHE 61 CO -0.06 -3.14 0.62 0.28 -1.46 0.00 0.00 175.22 171.46 1x59 n VAL 62 N 7.80 -0.41 -2.60 3.12 0.31 -1.26 -5.11 118.33 120.19 1x59 n VAL 62 Ca 0.32 -4.29 -0.22 0.00 -0.01 0.00 0.00 64.34 60.13 1x59 n VAL 62 Cb 0.50 -1.19 0.04 0.00 -0.91 0.00 0.00 33.84 32.28 1x59 n VAL 62 CO 0.00 0.00 0.00 -0.22 -1.32 0.00 0.00 176.83 175.29 1x59 s LEU 63 N -1.77 3.25 0.06 7.52 2.96 -1.26 -5.13 118.68 124.30 1x59 s LEU 63 Ca 0.37 0.15 0.05 0.00 -0.22 0.00 0.00 54.13 54.48 1x59 s LEU 63 Cb 0.25 -2.99 -0.03 0.00 0.50 0.00 0.00 46.19 43.93 1x59 s LEU 63 CO -0.10 -1.15 -0.13 -0.54 -1.32 0.00 0.00 176.35 173.11 1x59 s LYS 64 N -4.83 0.82 0.37 1.98 -0.14 -1.26 -5.04 119.74 111.64 1x59 s LYS 64 Ca 0.56 -0.86 0.00 0.00 -1.36 0.00 0.00 55.97 54.31 1x59 s LYS 64 Cb -0.10 -0.80 0.00 0.00 -1.68 0.00 0.00 37.83 35.25 1x59 s LYS 64 CO 0.40 0.18 0.00 -2.37 -0.76 0.00 0.00 175.35 172.80 1x59 n THR 65 N 1.52 -1.48 -2.08 2.17 5.66 -1.26 -4.99 114.28 113.82 1x59 n THR 65 Ca -0.20 0.82 -0.29 0.00 -3.05 0.00 0.00 64.05 61.32 1x59 n THR 65 Cb 0.54 -1.34 0.03 0.00 -1.55 0.00 0.00 70.33 68.01 1x59 n THR 65 CO 0.00 0.00 0.00 -2.16 -3.05 0.00 0.00 175.07 169.86 1x59 s PRO 66 N -4.60 3.12 0.19 1.09 0.04 -1.26 -5.12 135.00 128.46 1x59 s PRO 66 Ca 0.00 0.39 0.02 0.00 0.04 0.00 0.00 61.00 61.45 1x59 s PRO 66 Cb 0.00 -2.13 -0.05 0.00 0.04 0.00 0.00 34.50 32.36 1x59 s PRO 66 CO 0.00 -0.75 0.00 0.21 0.04 0.00 0.00 177.00 176.50 1x59 s LYS 67 N -5.16 1.16 -0.69 4.56 2.36 -1.26 -5.09 119.74 115.63 1x59 s LYS 67 Ca 0.55 -1.57 -0.27 0.00 -2.55 0.00 0.00 55.97 52.14 1x59 s LYS 67 Cb -0.11 -0.35 0.00 0.00 -1.05 0.00 0.00 37.83 36.33 1x59 s LYS 67 CO 0.50 -0.12 1.61 0.45 1.55 0.00 0.00 175.35 179.33 1x59 s SER 68 N -3.20 5.67 -0.71 1.43 0.15 -1.26 -4.93 113.70 110.85 1x59 s SER 68 Ca 0.25 -0.07 -0.00 0.00 0.70 0.00 0.00 55.95 56.82 1x59 s SER 68 Cb 0.06 -2.54 0.18 0.00 -1.71 0.00 0.00 66.02 62.00 1x59 s SER 68 CO 0.05 -2.14 0.54 -0.83 1.20 0.00 0.00 173.24 172.06 1x59 s GLY 69 N 6.17 2.77 -0.88 9.45 0.00 -1.26 -5.05 107.32 118.52 1x59 s GLY 69 Ca 0.53 -3.57 -0.25 0.00 0.00 0.00 0.00 44.72 41.44 1x59 s GLY 69 CO 0.17 1.12 1.68 2.56 0.00 0.00 0.00 173.10 178.62 1x59 s PRO 70 N -0.78 3.00 -0.22 2.90 0.04 -1.26 -4.88 135.00 133.81 1x59 s PRO 70 Ca 0.22 -0.44 -0.06 0.00 0.04 0.00 0.00 61.00 60.76 1x59 s PRO 70 Cb -0.14 -4.95 0.10 0.00 0.04 0.00 0.00 34.50 29.55 1x59 s PRO 70 CO -0.08 -2.72 0.44 0.45 0.04 0.00 0.00 177.00 175.12 1x59 s SER 71 N 6.43 -0.29 0.00 6.66 0.15 -1.26 -5.05 113.70 120.34 1x59 s SER 71 Ca 0.57 0.92 0.00 0.00 0.70 0.00 0.00 55.95 58.14 1x59 s SER 71 Cb -0.05 1.42 0.00 0.00 -1.71 0.00 0.00 66.02 65.68 1x59 s SER 71 CO 0.01 -0.24 0.00 -1.20 1.20 0.00 0.00 173.24 173.01 1x59 n SER 72 N 5.39 0.92 0.00 5.45 7.64 -1.26 -5.29 113.62 126.46 1x59 n SER 72 Ca -0.08 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.80 1x59 n SER 72 Cb 0.50 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.70 1x59 n SER 72 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64