#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x59 s SER 2 N 0.00 0.28 0.02 1.61 0.01 -1.26 -5.06 113.70 109.30 1x59 s SER 2 Ca 0.00 1.07 0.00 0.00 1.31 0.00 0.00 55.95 58.33 1x59 s SER 2 Cb 0.00 -1.60 0.00 0.00 0.21 0.00 0.00 66.02 64.63 1x59 s SER 2 CO 0.00 -4.57 0.00 -0.24 0.41 0.00 0.00 173.24 168.84 1x59 n SER 3 N -5.12 0.09 0.00 2.44 2.88 -1.26 -5.02 113.62 107.62 1x59 n SER 3 Ca 0.08 0.03 0.00 0.00 -1.33 0.00 0.00 58.87 57.66 1x59 n SER 3 Cb 0.58 -0.01 0.00 0.00 -0.75 0.00 0.00 64.21 64.03 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 2.82 1.49 4.04 0.46 0.00 -1.26 -4.95 105.19 107.80 1x59 n GLY 4 Ca 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.62 1x59 n GLY 4 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1x59 n SER 5 N 0.00 -3.35 -4.75 1.61 7.64 -1.26 -4.92 113.62 108.60 1x59 n SER 5 Ca 0.00 -1.11 -0.30 0.00 1.01 0.00 0.00 58.87 58.48 1x59 n SER 5 Cb 0.00 -1.33 0.12 0.00 -1.01 0.00 0.00 64.21 62.00 1x59 n SER 5 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 1x59 s SER 6 N -3.77 3.80 0.00 6.43 0.15 -1.26 -4.96 113.70 114.08 1x59 s SER 6 Ca 0.41 1.40 0.00 0.00 0.70 0.00 0.00 55.95 58.46 1x59 s SER 6 Cb -0.23 -2.10 0.00 0.00 -1.71 0.00 0.00 66.02 61.98 1x59 s SER 6 CO 0.82 -2.42 0.00 0.61 1.20 0.00 0.00 173.24 173.45 1x59 n GLY 7 N -1.49 1.79 0.25 9.45 0.00 -1.26 -4.94 105.19 108.98 1x59 n GLY 7 Ca 0.07 -0.63 -0.12 0.00 0.00 0.00 0.00 46.02 45.34 1x59 n GLY 7 CO 0.00 0.00 0.00 1.98 0.00 0.00 0.00 173.32 175.30 1x59 h MET 8 N 0.00 0.85 -0.47 1.61 4.05 -1.98 -0.44 114.93 118.55 1x59 h MET 8 Ca 0.00 -0.38 -0.03 0.00 -0.28 0.00 0.00 59.70 59.01 1x59 h MET 8 Cb 0.00 -0.02 -0.02 0.00 -0.80 0.00 0.00 31.60 30.76 1x59 h MET 8 CO 0.00 1.02 0.19 0.00 0.23 0.00 0.00 176.91 178.35 1x59 h ALA 9 N 0.81 0.62 -0.26 0.39 0.00 -1.99 -1.03 119.26 117.79 1x59 h ALA 9 Ca 0.09 -0.15 0.03 0.00 0.00 0.00 0.00 54.91 54.87 1x59 h ALA 9 Cb 0.78 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 18.36 1x59 h ALA 9 CO 0.06 0.22 0.09 0.93 0.00 0.00 0.00 179.25 180.56 1x59 h GLU 10 N 0.62 0.20 0.50 0.00 4.39 -1.91 -1.97 114.58 116.42 1x59 h GLU 10 Ca 0.16 -0.01 -0.02 0.00 0.34 0.00 0.00 59.36 59.82 1x59 h GLU 10 Cb 0.19 -0.05 0.00 0.00 -0.10 0.00 0.00 28.75 28.80 1x59 h GLU 10 CO -0.01 0.13 -0.25 -0.09 -1.16 0.00 0.00 179.01 177.63 1x59 h ARG 11 N 0.21 -0.66 -0.93 2.33 9.65 -0.60 -1.47 114.38 122.90 1x59 h ARG 11 Ca 0.11 0.04 0.04 0.00 -1.10 0.00 0.00 59.98 59.08 1x59 h ARG 11 Cb 0.08 0.15 -0.06 0.00 -1.39 0.00 0.00 29.97 28.75 1x59 h ARG 11 CO -0.12 -0.44 0.60 0.00 2.80 0.00 0.00 179.97 182.82 1x59 h ALA 12 N -0.18 1.25 -0.96 2.80 0.00 -1.18 0.22 119.26 121.21 1x59 h ALA 12 Ca -0.07 -0.03 -0.00 0.00 0.00 0.00 0.00 54.91 54.80 1x59 h ALA 12 Cb 0.53 -0.31 -0.05 0.00 0.00 0.00 0.00 17.79 17.96 1x59 h ALA 12 CO 0.11 0.45 0.59 0.00 0.00 0.00 0.00 179.25 180.39 1x59 h ALA 13 N 1.40 1.23 0.02 0.00 0.00 -1.16 -1.52 119.26 119.24 1x59 h ALA 13 Ca 0.38 -0.10 -0.23 0.00 0.00 0.00 0.00 54.91 54.96 1x59 h ALA 13 Cb 0.05 -0.39 0.00 0.00 0.00 0.00 0.00 17.79 17.45 1x59 h ALA 13 CO -0.13 0.67 -0.98 1.25 0.00 0.00 0.00 179.25 180.05 1x59 h LEU 14 N 1.32 0.49 -1.61 0.00 6.46 -0.27 -3.20 115.31 118.50 1x59 h LEU 14 Ca 0.34 -0.41 -0.00 0.00 -0.12 0.00 0.00 57.88 57.69 1x59 h LEU 14 Cb -0.07 -0.15 -0.02 0.00 -0.73 0.00 0.00 40.66 39.69 1x59 h LEU 14 CO -0.07 1.22 0.20 -0.33 -0.62 0.00 0.00 178.44 178.84 1x59 h GLU 15 N 0.20 0.46 -0.09 1.25 5.08 -0.30 -1.44 114.58 119.73 1x59 h GLU 15 Ca -0.08 -0.04 0.02 0.00 -1.00 0.00 0.00 59.36 58.26 1x59 h GLU 15 Cb 1.63 -0.10 -0.02 0.00 0.50 0.00 0.00 28.75 30.76 1x59 h GLU 15 CO 0.17 0.33 -0.01 1.49 -1.00 0.00 0.00 179.01 179.99 1x59 h GLU 16 N 0.47 0.02 -0.85 2.33 4.22 -1.28 0.10 114.58 119.59 1x59 h GLU 16 Ca 0.12 -0.00 -0.03 0.00 0.08 0.00 0.00 59.36 59.53 1x59 h GLU 16 Cb -0.00 -0.01 -0.04 0.00 0.50 0.00 0.00 28.75 29.20 1x59 h GLU 16 CO -0.02 0.02 0.41 -0.07 -2.18 0.00 0.00 179.01 177.16 1x59 h LEU 17 N 0.02 1.12 0.10 1.64 3.38 -1.33 0.35 115.31 120.58 1x59 h LEU 17 Ca 0.04 -0.14 -0.00 0.00 0.09 0.00 0.00 57.88 57.87 1x59 h LEU 17 Cb 0.06 -0.29 0.00 0.00 0.09 0.00 0.00 40.66 40.52 1x59 h LEU 17 CO -0.08 0.94 -0.05 0.58 0.09 0.00 0.00 178.44 179.92 1x59 h VAL 18 N 1.21 1.08 0.14 1.22 2.07 -1.20 -1.85 116.25 118.92 1x59 h VAL 18 Ca 0.29 -0.70 0.02 0.00 0.82 0.00 0.00 66.70 67.13 1x59 h VAL 18 Cb 0.12 1.52 -0.04 0.00 -1.52 0.00 0.00 31.29 31.37 1x59 h VAL 18 CO -0.04 0.17 -0.40 0.50 0.02 0.00 0.00 177.57 177.82 1x59 h LYS 19 N -0.45 -0.62 -0.77 1.57 3.64 -0.54 -0.36 116.57 119.04 1x59 h LYS 19 Ca -0.01 0.04 -0.05 0.00 -1.27 0.00 0.00 60.65 59.36 1x59 h LYS 19 Cb 0.38 0.14 -0.03 0.00 -0.41 0.00 0.00 32.23 32.31 1x59 h LYS 19 CO 0.02 -0.42 0.28 -0.07 -2.27 0.00 0.00 179.45 177.00 1x59 h LEU 20 N -0.65 1.08 -0.46 5.20 -0.00 -0.98 0.17 115.31 119.67 1x59 h LEU 20 Ca 0.02 -0.19 -0.00 0.00 -0.00 0.00 0.00 57.88 57.71 1x59 h LEU 20 Cb 0.67 -0.28 -0.02 0.00 -0.00 0.00 0.00 40.66 41.02 1x59 h LEU 20 CO -0.22 0.97 0.27 -0.61 -0.00 0.00 0.00 178.44 178.85 1x59 h GLN 21 N 1.12 0.62 0.06 1.13 5.75 -1.08 0.97 115.11 123.68 1x59 h GLN 21 Ca 0.25 -0.06 0.01 0.00 -0.15 0.00 0.00 58.65 58.70 1x59 h GLN 21 Cb 0.25 -0.13 -0.02 0.00 1.07 0.00 0.00 27.48 28.65 1x59 h GLN 21 CO -0.02 0.47 -0.10 0.78 -2.65 0.00 0.00 178.83 177.31 1x59 h GLY 22 N 0.61 -0.17 0.70 2.39 0.00 -0.46 -1.96 103.07 104.18 1x59 h GLY 22 Ca 0.16 0.12 0.02 0.00 0.00 0.00 0.00 47.33 47.63 1x59 h GLY 22 CO -0.03 -0.11 -0.13 1.05 0.00 0.00 0.00 176.54 177.33 1x59 h GLU 23 N -0.20 -0.21 0.14 4.80 -0.00 -0.46 -2.25 114.58 116.39 1x59 h GLU 23 Ca 0.02 0.01 0.00 0.00 -0.00 0.00 0.00 59.36 59.40 1x59 h GLU 23 Cb 0.22 0.05 -0.01 0.00 -0.00 0.00 0.00 28.75 29.01 1x59 h GLU 23 CO -0.06 -0.14 -0.12 -0.09 -0.00 0.00 0.00 179.01 178.59 1x59 h ARG 24 N -0.22 -0.27 -0.87 1.06 2.43 -0.74 -1.54 114.38 114.23 1x59 h ARG 24 Ca 0.04 0.02 0.07 0.00 -0.81 0.00 0.00 59.98 59.30 1x59 h ARG 24 Cb 0.27 0.06 -0.06 0.00 -0.42 0.00 0.00 29.97 29.82 1x59 h ARG 24 CO -0.11 -0.18 0.53 0.28 -1.51 0.00 0.00 179.97 178.98 1x59 h VAL 25 N -0.28 1.02 0.00 0.20 2.07 -1.22 0.40 116.25 118.43 1x59 h VAL 25 Ca -0.00 -0.33 -0.02 0.00 0.82 0.00 0.00 66.70 67.17 1x59 h VAL 25 Cb 0.26 -0.02 -0.00 0.00 -1.52 0.00 0.00 31.29 30.00 1x59 h VAL 25 CO -0.02 0.17 -0.11 0.03 0.02 0.00 0.00 177.57 177.67 1x59 h ARG 26 N 0.95 0.00 0.12 1.57 2.47 -0.78 -2.62 114.38 116.10 1x59 h ARG 26 Ca 0.39 0.00 -0.20 0.00 -1.26 0.00 0.00 59.98 58.90 1x59 h ARG 26 Cb 0.22 0.00 0.02 0.00 -1.65 0.00 0.00 29.97 28.56 1x59 h ARG 26 CO -0.19 0.11 -0.88 0.78 0.56 0.00 0.00 179.97 180.35 1x59 h GLY 27 N 0.51 0.43 0.59 0.04 0.00 0.25 -3.30 103.07 101.58 1x59 h GLY 27 Ca -0.00 -0.99 0.10 0.00 0.00 0.00 0.00 47.33 46.44 1x59 h GLY 27 CO 0.01 0.87 0.64 1.41 0.00 0.00 0.00 176.54 179.47 1x59 h LEU 28 N -0.20 0.97 0.22 3.11 3.38 -0.01 0.77 115.31 123.55 1x59 h LEU 28 Ca -0.14 0.03 -0.01 0.00 0.09 0.00 0.00 57.88 57.85 1x59 h LEU 28 Cb 1.65 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 42.24 1x59 h LEU 28 CO 0.17 0.56 -0.10 0.11 0.09 0.00 0.00 178.44 179.26 1x59 h LYS 29 N 1.07 -0.28 -0.77 1.13 1.57 -1.65 -1.81 116.57 115.83 1x59 h LYS 29 Ca 0.47 0.02 0.06 0.00 -1.87 0.00 0.00 60.65 59.33 1x59 h LYS 29 Cb 0.36 0.06 -0.06 0.00 0.08 0.00 0.00 32.23 32.67 1x59 h LYS 29 CO -0.22 -0.17 0.46 0.37 -0.57 0.00 0.00 179.45 179.31 1x59 h GLN 30 N -0.31 0.80 0.00 3.15 4.15 -1.34 -2.37 115.11 119.19 1x59 h GLN 30 Ca -0.03 -0.05 0.00 0.00 0.77 0.00 0.00 58.65 59.34 1x59 h GLN 30 Cb 0.24 -0.18 0.00 0.00 0.21 0.00 0.00 27.48 27.75 1x59 h GLN 30 CO 0.05 0.53 0.00 1.04 -1.93 0.00 0.00 178.83 178.52 1x59 n GLN 31 N -4.70 0.61 -3.70 1.69 1.13 0.16 -4.87 117.38 107.69 1x59 n GLN 31 Ca 0.11 0.02 -0.28 0.00 -1.94 0.00 0.00 57.00 54.90 1x59 n GLN 31 Cb 0.18 -1.50 -0.01 0.00 0.11 0.00 0.00 30.24 29.02 1x59 n GLN 31 CO 0.00 0.00 0.00 1.63 -1.44 0.00 0.00 177.06 177.25 1x59 n LYS 32 N -1.05 -3.21 -0.63 -1.09 4.76 -0.89 -4.95 118.16 111.09 1x59 n LYS 32 Ca 0.15 0.40 -0.30 0.00 -2.87 0.00 0.00 58.31 55.68 1x59 n LYS 32 Cb 0.09 -5.11 0.19 0.00 -1.84 0.00 0.00 35.03 28.36 1x59 n LYS 32 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1x59 n ALA 33 N -3.83 -1.55 -1.58 7.82 0.00 -0.72 -4.89 120.51 115.77 1x59 n ALA 33 Ca 0.03 -0.74 -0.49 0.00 0.00 0.00 0.00 53.44 52.23 1x59 n ALA 33 Cb 0.51 -2.11 -0.04 0.00 0.00 0.00 0.00 19.45 17.81 1x59 n ALA 33 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 1x59 n SER 34 N -4.20 1.37 -0.19 0.00 7.64 -1.26 -4.85 113.62 112.14 1x59 n SER 34 Ca 0.09 1.14 0.13 0.00 1.01 0.00 0.00 58.87 61.24 1x59 n SER 34 Cb 0.53 -1.21 0.45 0.00 -1.01 0.00 0.00 64.21 62.98 1x59 n SER 34 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1x59 h ALA 35 N 3.56 1.99 -0.37 -0.43 0.00 -1.98 -0.69 119.26 121.33 1x59 h ALA 35 Ca -0.44 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.46 1x59 h ALA 35 Cb 1.34 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 19.02 1x59 h ALA 35 CO 0.71 -0.19 0.18 1.49 0.00 0.00 0.00 179.25 181.45 1x59 h GLU 36 N 0.52 0.54 0.03 0.00 4.81 -1.99 -2.48 114.58 116.01 1x59 h GLU 36 Ca 0.38 -0.08 0.02 0.00 -0.13 0.00 0.00 59.36 59.55 1x59 h GLU 36 Cb 0.73 -0.10 -0.03 0.00 0.63 0.00 0.00 28.75 29.98 1x59 h GLU 36 CO -0.14 0.48 -0.16 1.25 -0.73 0.00 0.00 179.01 179.71 1x59 h LEU 37 N 0.46 -0.47 -0.52 1.64 5.85 -1.47 0.64 115.31 121.44 1x59 h LEU 37 Ca 0.13 0.06 0.10 0.00 0.84 0.00 0.00 57.88 59.02 1x59 h LEU 37 Cb 0.12 0.19 -0.09 0.00 0.37 0.00 0.00 40.66 41.25 1x59 h LEU 37 CO -0.02 -0.23 -0.05 0.40 -0.34 0.00 0.00 178.44 178.21 1x59 h ILE 38 N -0.29 0.54 0.23 4.05 2.04 -1.54 -0.48 117.51 122.07 1x59 h ILE 38 Ca 0.04 -0.02 -0.01 0.00 1.00 0.00 0.00 64.86 65.87 1x59 h ILE 38 Cb 0.34 0.47 0.00 0.00 -0.74 0.00 0.00 36.82 36.89 1x59 h ILE 38 CO -0.13 0.01 -0.12 -0.33 0.00 0.00 0.00 178.15 177.58 1x59 h GLU 39 N 0.07 -0.31 -0.65 2.37 4.39 -0.85 -0.19 114.58 119.41 1x59 h GLU 39 Ca 0.26 0.02 0.00 0.00 0.34 0.00 0.00 59.36 59.99 1x59 h GLU 39 Cb 0.40 0.07 -0.03 0.00 -0.10 0.00 0.00 28.75 29.09 1x59 h GLU 39 CO -0.48 -0.21 0.42 1.49 -1.16 0.00 0.00 179.01 179.08 1x59 h GLU 40 N -0.32 0.87 0.00 2.33 4.22 -0.54 -0.79 114.58 120.33 1x59 h GLU 40 Ca -0.03 -0.06 -0.13 0.00 0.08 0.00 0.00 59.36 59.22 1x59 h GLU 40 Cb 0.25 -0.19 -0.02 0.00 0.50 0.00 0.00 28.75 29.29 1x59 h GLU 40 CO 0.04 0.58 -0.62 0.93 -2.18 0.00 0.00 179.01 177.77 1x59 h GLU 41 N 0.89 0.00 -0.22 1.92 4.39 -1.03 -1.00 114.58 119.53 1x59 h GLU 41 Ca 0.24 0.00 -0.03 0.00 0.34 0.00 0.00 59.36 59.91 1x59 h GLU 41 Cb -0.08 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.56 1x59 h GLU 41 CO -0.05 0.62 0.01 0.28 -1.16 0.00 0.00 179.01 178.71 1x59 h VAL 42 N 0.00 1.25 -0.24 3.13 2.07 -0.48 0.22 116.25 122.19 1x59 h VAL 42 Ca -0.01 -0.85 0.02 0.00 0.82 0.00 0.00 66.70 66.69 1x59 h VAL 42 Cb 1.18 1.39 -0.03 0.00 -1.52 0.00 0.00 31.29 32.31 1x59 h VAL 42 CO 0.08 0.26 0.08 0.00 0.02 0.00 0.00 177.57 178.02 1x59 h ALA 43 N 0.80 0.27 -0.60 1.67 0.00 -1.00 -0.51 119.26 119.90 1x59 h ALA 43 Ca 0.06 0.03 -0.05 0.00 0.00 0.00 0.00 54.91 54.95 1x59 h ALA 43 Cb 0.38 0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.16 1x59 h ALA 43 CO 0.01 -0.33 0.16 0.87 0.00 0.00 0.00 179.25 179.96 1x59 h LYS 44 N 0.20 0.91 -0.86 0.00 1.57 -1.08 0.13 116.57 117.44 1x59 h LYS 44 Ca 0.11 -0.18 0.02 0.00 -1.87 0.00 0.00 60.65 58.72 1x59 h LYS 44 Cb 0.07 -0.14 -0.05 0.00 0.08 0.00 0.00 32.23 32.20 1x59 h LYS 44 CO -0.11 0.80 0.57 1.25 -0.57 0.00 0.00 179.45 181.39 1x59 h LEU 45 N 0.88 0.96 0.35 2.94 5.85 -0.65 -0.04 115.31 125.60 1x59 h LEU 45 Ca 0.19 -0.02 -0.02 0.00 0.84 0.00 0.00 57.88 58.88 1x59 h LEU 45 Cb 0.29 -0.23 0.00 0.00 0.37 0.00 0.00 40.66 41.09 1x59 h LEU 45 CO -0.00 0.69 -0.17 -0.07 -0.34 0.00 0.00 178.44 178.54 1x59 h LEU 46 N 1.14 -0.40 -0.45 2.25 3.38 -0.23 -2.25 115.31 118.74 1x59 h LEU 46 Ca 0.33 -0.09 0.08 0.00 0.09 0.00 0.00 57.88 58.28 1x59 h LEU 46 Cb -0.08 0.10 -0.06 0.00 0.09 0.00 0.00 40.66 40.71 1x59 h LEU 46 CO -0.09 -0.14 0.08 0.11 0.09 0.00 0.00 178.44 178.49 1x59 h LYS 47 N -0.65 0.20 0.29 1.13 1.57 -0.56 0.27 116.57 118.83 1x59 h LYS 47 Ca -0.05 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.72 1x59 h LYS 47 Cb 0.46 -0.05 -0.03 0.00 0.08 0.00 0.00 32.23 32.70 1x59 h LYS 47 CO 0.08 0.13 -0.35 -0.07 -0.57 0.00 0.00 179.45 178.67 1x59 h LEU 48 N 0.21 -0.97 -1.64 2.94 3.38 -1.06 -2.58 115.31 115.58 1x59 h LEU 48 Ca 0.22 0.09 0.11 0.00 0.09 0.00 0.00 57.88 58.40 1x59 h LEU 48 Cb 0.29 0.34 -0.04 0.00 0.09 0.00 0.00 40.66 41.34 1x59 h LEU 48 CO -0.30 -0.48 0.43 0.11 0.09 0.00 0.00 178.44 178.29 1x59 h LYS 49 N -0.69 0.38 0.00 1.13 1.57 -0.66 -0.92 116.57 117.37 1x59 h LYS 49 Ca -0.01 -0.02 -0.02 0.00 -1.87 0.00 0.00 60.65 58.73 1x59 h LYS 49 Cb 0.65 -0.09 -0.00 0.00 0.08 0.00 0.00 32.23 32.87 1x59 h LYS 49 CO -0.10 0.25 -0.07 0.00 -0.57 0.00 0.00 179.45 178.96 1x59 h ALA 50 N 1.68 1.31 0.02 3.86 0.00 -0.57 -1.36 119.26 124.20 1x59 h ALA 50 Ca 0.30 -0.07 -0.08 0.00 0.00 0.00 0.00 54.91 55.06 1x59 h ALA 50 Cb 0.65 -0.01 0.01 0.00 0.00 0.00 0.00 17.79 18.44 1x59 h ALA 50 CO -0.08 0.09 -0.32 1.96 0.00 0.00 0.00 179.25 180.90 1x59 h GLN 51 N 0.00 0.19 0.31 0.00 4.20 -1.08 -3.37 115.11 115.36 1x59 h GLN 51 Ca -0.00 -0.23 -0.00 0.00 0.06 0.00 0.00 58.65 58.48 1x59 h GLN 51 Cb 0.23 0.07 -0.04 0.00 0.30 0.00 0.00 27.48 28.04 1x59 h GLN 51 CO 0.01 0.98 -0.52 -0.07 -0.67 0.00 0.00 178.83 178.56 1x59 h LEU 52 N -0.51 -1.50 0.00 1.46 -0.00 -1.27 -3.47 115.31 110.03 1x59 h LEU 52 Ca -0.04 0.14 0.00 0.00 -0.00 0.00 0.00 57.88 57.98 1x59 h LEU 52 Cb 1.11 0.53 0.00 0.00 -0.00 0.00 0.00 40.66 42.30 1x59 h LEU 52 CO 0.06 -0.61 0.00 0.61 -0.00 0.00 0.00 178.44 178.50 1x59 n GLY 53 N -1.52 1.57 0.23 0.83 0.00 -0.57 -5.04 105.19 100.69 1x59 n GLY 53 Ca -0.10 0.01 -0.07 0.00 0.00 0.00 0.00 46.02 45.86 1x59 n GLY 53 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1x59 h PRO 54 N 0.00 0.55 -3.06 1.61 0.13 -1.79 -3.40 132.00 126.04 1x59 h PRO 54 Ca 0.00 -0.27 -0.80 0.00 -0.87 0.00 0.00 66.00 64.06 1x59 h PRO 54 Cb 0.00 -0.00 -0.26 0.00 0.13 0.00 0.00 31.00 30.87 1x59 h PRO 54 CO 0.00 0.84 0.92 -3.47 -0.23 0.00 0.00 178.00 176.06 1x59 n ASP 55 N -4.04 6.19 -2.70 1.44 2.03 -1.26 -4.58 116.55 113.63 1x59 n ASP 55 Ca -0.01 -3.35 -0.05 0.00 0.52 0.00 0.00 54.79 51.89 1x59 n ASP 55 Cb 0.50 -1.31 0.10 0.00 -0.72 0.00 0.00 41.12 39.70 1x59 n ASP 55 CO 0.00 0.00 0.00 1.21 -1.92 0.00 0.00 177.20 176.49 1x59 n GLU 56 N 1.77 1.27 0.00 -0.67 2.13 -1.26 -4.94 120.64 118.94 1x59 n GLU 56 Ca 0.28 -1.99 0.00 0.00 0.66 0.00 0.00 57.16 56.11 1x59 n GLU 56 Cb 0.34 -0.21 0.00 0.00 0.27 0.00 0.00 31.44 31.84 1x59 n GLU 56 CO 0.00 0.00 0.00 0.43 -0.41 0.00 0.00 177.13 177.15 1x59 n SER 57 N -0.77 2.18 -3.63 4.31 7.64 -1.26 -5.09 113.62 117.00 1x59 n SER 57 Ca -0.04 -0.10 -0.10 0.00 1.01 0.00 0.00 58.87 59.63 1x59 n SER 57 Cb 0.85 0.63 -0.04 0.00 -1.01 0.00 0.00 64.21 64.64 1x59 n SER 57 CO 0.00 0.00 0.00 -1.59 -3.01 0.00 0.00 175.04 170.44 1x59 s LYS 58 N -1.07 1.18 0.10 1.43 -2.85 -1.26 -5.18 119.74 112.08 1x59 s LYS 58 Ca 0.00 -0.72 0.01 0.00 -1.00 0.00 0.00 55.97 54.26 1x59 s LYS 58 Cb 0.00 0.50 -0.04 0.00 -2.06 0.00 0.00 37.83 36.23 1x59 s LYS 58 CO 0.00 -0.48 -0.04 -0.65 0.10 0.00 0.00 175.35 174.28 1x59 s GLN 59 N -3.82 0.83 0.03 1.78 -1.52 -1.26 -5.07 119.66 110.63 1x59 s GLN 59 Ca 0.04 -1.34 0.16 0.00 -1.95 0.00 0.00 55.36 52.27 1x59 s GLN 59 Cb 0.01 -0.09 -0.17 0.00 -0.22 0.00 0.00 33.01 32.54 1x59 s GLN 59 CO -0.10 -0.07 0.76 1.17 -0.25 0.00 0.00 175.29 176.80 1x59 n LYS 60 N -0.04 0.63 -2.17 2.91 4.81 -1.26 -4.67 118.16 118.37 1x59 n LYS 60 Ca -0.11 0.23 -0.42 0.00 -0.87 0.00 0.00 58.31 57.14 1x59 n LYS 60 Cb 0.61 -1.79 -0.03 0.00 0.02 0.00 0.00 35.03 33.84 1x59 n LYS 60 CO 0.00 0.00 0.00 -0.06 1.17 0.00 0.00 177.40 178.51 1x59 s PHE 61 N -2.83 2.80 -0.38 5.64 0.08 -1.26 -4.98 117.98 117.04 1x59 s PHE 61 Ca -0.04 0.74 0.01 0.00 0.12 0.00 0.00 56.93 57.76 1x59 s PHE 61 Cb 0.08 -3.72 0.12 0.00 -0.57 0.00 0.00 43.02 38.94 1x59 s PHE 61 CO 0.82 -2.69 0.18 0.08 -0.10 0.00 0.00 175.22 173.51 1x59 s VAL 62 N 2.35 1.05 0.41 -0.44 1.01 -1.26 -5.12 120.40 118.40 1x59 s VAL 62 Ca 0.66 -2.03 -0.26 0.00 0.00 0.00 0.00 61.98 60.35 1x59 s VAL 62 Cb -0.33 -1.76 -0.09 0.00 0.00 0.00 0.00 36.38 34.20 1x59 s VAL 62 CO 0.28 -0.83 1.31 -0.76 0.00 0.00 0.00 175.10 175.10 1x59 s LEU 63 N 0.90 4.20 -0.00 3.92 2.01 -1.26 -4.98 118.68 123.46 1x59 s LEU 63 Ca 0.15 2.67 -0.00 0.00 0.01 0.00 0.00 54.13 56.96 1x59 s LEU 63 Cb -0.22 -3.91 -0.00 0.00 0.01 0.00 0.00 46.19 42.07 1x59 s LEU 63 CO -0.08 -0.88 -0.00 0.11 1.01 0.00 0.00 176.35 176.50 1x59 h LYS 64 N 2.64 0.00 -7.06 1.70 1.57 -2.05 -3.49 116.57 109.88 1x59 h LYS 64 Ca -0.50 0.00 -0.54 0.00 -1.87 0.00 0.00 60.65 57.74 1x59 h LYS 64 Cb 1.25 0.00 0.19 0.00 0.08 0.00 0.00 32.23 33.75 1x59 h LYS 64 CO 0.62 0.00 0.09 0.25 -0.57 0.00 0.00 179.45 179.84 1x59 n THR 65 N -2.18 1.60 -1.43 -0.16 -2.24 -1.26 -4.99 114.28 103.62 1x59 n THR 65 Ca -0.00 -0.22 -0.30 0.00 -2.27 0.00 0.00 64.05 61.26 1x59 n THR 65 Cb 0.00 -1.03 0.20 0.00 -2.10 0.00 0.00 70.33 67.40 1x59 n THR 65 CO 0.00 0.00 0.00 -2.16 -0.57 0.00 0.00 175.07 172.34 1x59 s PRO 66 N -3.86 -0.20 0.16 -0.78 0.04 -1.26 -5.10 135.00 124.01 1x59 s PRO 66 Ca 0.70 -0.11 -0.21 0.00 0.04 0.00 0.00 61.00 61.42 1x59 s PRO 66 Cb -0.29 -1.72 0.05 0.00 0.04 0.00 0.00 34.50 32.59 1x59 s PRO 66 CO 0.55 -3.03 0.55 -1.59 0.04 0.00 0.00 177.00 173.52 1x59 s LYS 67 N -5.53 1.28 0.00 4.56 -2.85 -1.26 -4.96 119.74 110.98 1x59 s LYS 67 Ca 0.71 -0.61 0.00 0.00 -1.00 0.00 0.00 55.97 55.06 1x59 s LYS 67 Cb -0.09 0.55 0.00 0.00 -2.06 0.00 0.00 37.83 36.24 1x59 s LYS 67 CO 0.55 -0.55 0.00 0.43 0.10 0.00 0.00 175.35 175.88 1x59 n SER 68 N -0.34 0.00 -3.05 0.03 7.64 -1.26 -4.89 113.62 111.75 1x59 n SER 68 Ca -0.15 0.00 -0.28 0.00 1.01 0.00 0.00 58.87 59.45 1x59 n SER 68 Cb 0.64 -1.18 -0.04 0.00 -1.01 0.00 0.00 64.21 62.63 1x59 n SER 68 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1x59 n GLY 69 N -2.00 5.61 0.12 0.23 0.00 -1.26 -4.96 105.19 102.93 1x59 n GLY 69 Ca 0.00 -2.77 -0.10 0.00 0.00 0.00 0.00 46.02 43.16 1x59 n GLY 69 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1x59 h PRO 70 N 3.21 0.33 -1.86 1.61 0.13 -1.98 -3.43 132.00 130.00 1x59 h PRO 70 Ca 0.17 -0.02 0.02 0.00 -0.87 0.00 0.00 66.00 65.30 1x59 h PRO 70 Cb 0.50 -0.07 -0.23 0.00 0.13 0.00 0.00 31.00 31.32 1x59 h PRO 70 CO 0.86 0.22 0.19 -1.12 -0.23 0.00 0.00 178.00 177.92 1x59 s SER 71 N -5.42 -0.72 -0.30 1.44 0.01 -1.26 -5.15 113.70 102.30 1x59 s SER 71 Ca -0.13 1.27 -0.14 0.00 1.31 0.00 0.00 55.95 58.26 1x59 s SER 71 Cb 0.09 1.30 0.18 0.00 0.21 0.00 0.00 66.02 67.79 1x59 s SER 71 CO 0.70 -0.21 1.08 -0.55 0.41 0.00 0.00 173.24 174.67 1x59 s SER 72 N 0.83 -0.40 0.00 2.44 0.15 -1.26 -5.22 113.70 110.24 1x59 s SER 72 Ca -0.03 0.33 0.00 0.00 0.70 0.00 0.00 55.95 56.94 1x59 s SER 72 Cb -0.05 1.37 0.00 0.00 -1.71 0.00 0.00 66.02 65.63 1x59 s SER 72 CO -0.09 -0.08 0.00 0.61 1.20 0.00 0.00 173.24 174.89