#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x59 h SER 2 N 0.00 0.17 -3.51 1.61 0.87 -1.93 -3.42 113.55 107.35 1x59 h SER 2 Ca 0.00 -0.03 -0.22 0.00 -1.23 0.00 0.00 61.79 60.31 1x59 h SER 2 Cb 0.00 -0.04 -0.05 0.00 -0.44 0.00 0.00 62.40 61.86 1x59 h SER 2 CO 0.00 0.31 -0.10 -0.24 -0.53 0.00 0.00 176.83 176.27 1x59 n SER 3 N -4.32 -1.18 -0.02 6.23 2.88 -1.26 -4.77 113.62 111.18 1x59 n SER 3 Ca -0.01 -2.55 0.00 0.00 -1.33 0.00 0.00 58.87 54.98 1x59 n SER 3 Cb 0.24 2.17 0.00 0.00 -0.75 0.00 0.00 64.21 65.87 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 -0.48 0.14 3.55 0.46 0.00 -1.26 -4.97 105.19 102.63 1x59 n GLY 4 Ca -0.00 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.85 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 0.00 -0.67 -0.40 1.61 1.04 -1.26 -5.00 113.70 109.03 1x59 s SER 5 Ca 0.00 0.88 0.10 0.00 0.48 0.00 0.00 55.95 57.41 1x59 s SER 5 Cb 0.00 0.75 0.32 0.00 0.10 0.00 0.00 66.02 67.19 1x59 s SER 5 CO 0.00 -0.51 0.79 -1.20 0.98 0.00 0.00 173.24 173.30 1x59 n SER 6 N 1.33 -0.18 0.00 7.02 7.64 -1.26 -5.00 113.62 123.18 1x59 n SER 6 Ca -0.17 -3.13 0.00 0.00 1.01 0.00 0.00 58.87 56.58 1x59 n SER 6 Cb 0.57 0.07 0.00 0.00 -1.01 0.00 0.00 64.21 63.84 1x59 n SER 6 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1x59 n GLY 7 N 0.56 0.22 0.10 0.23 0.00 -1.26 -4.97 105.19 100.06 1x59 n GLY 7 Ca 0.19 -0.96 -0.13 0.00 0.00 0.00 0.00 46.02 45.13 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 -0.14 -0.32 1.61 1.85 -2.00 -1.38 114.93 114.55 1x59 h MET 8 Ca 0.00 0.01 -0.01 0.00 -0.61 0.00 0.00 59.70 59.09 1x59 h MET 8 Cb 0.00 0.03 -0.01 0.00 0.43 0.00 0.00 31.60 32.05 1x59 h MET 8 CO 0.00 0.19 0.16 0.00 -0.40 0.00 0.00 176.91 176.86 1x59 h ALA 9 N 0.36 0.41 0.07 0.39 0.00 -1.99 0.17 119.26 118.68 1x59 h ALA 9 Ca -0.01 -0.09 0.02 0.00 0.00 0.00 0.00 54.91 54.82 1x59 h ALA 9 Cb 0.39 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 18.03 1x59 h ALA 9 CO 0.02 -0.04 -0.20 0.93 0.00 0.00 0.00 179.25 179.96 1x59 h GLU 10 N 0.38 -0.35 -0.36 0.00 5.08 -1.94 -1.47 114.58 115.92 1x59 h GLU 10 Ca 0.11 0.02 0.07 0.00 -1.00 0.00 0.00 59.36 58.56 1x59 h GLU 10 Cb 0.11 0.08 -0.07 0.00 0.50 0.00 0.00 28.75 29.37 1x59 h GLU 10 CO -0.01 -0.23 -0.07 -0.09 -1.00 0.00 0.00 179.01 177.61 1x59 h ARG 11 N -0.36 0.02 -0.98 2.33 2.43 -0.82 -0.86 114.38 116.14 1x59 h ARG 11 Ca 0.04 -0.00 0.11 0.00 -0.81 0.00 0.00 59.98 59.31 1x59 h ARG 11 Cb 0.40 -0.00 -0.08 0.00 -0.42 0.00 0.00 29.97 29.87 1x59 h ARG 11 CO -0.14 0.01 0.61 0.00 -1.51 0.00 0.00 179.97 178.95 1x59 h ALA 12 N 1.35 1.45 -0.19 2.80 0.00 -0.16 0.44 119.26 124.95 1x59 h ALA 12 Ca 0.17 0.01 -0.12 0.00 0.00 0.00 0.00 54.91 54.97 1x59 h ALA 12 Cb 0.26 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.82 1x59 h ALA 12 CO -0.35 0.25 -0.40 0.00 0.00 0.00 0.00 179.25 178.75 1x59 h ALA 13 N 1.51 0.95 0.03 0.00 0.00 -0.48 -1.76 119.26 119.51 1x59 h ALA 13 Ca 0.47 -0.43 -0.22 0.00 0.00 0.00 0.00 54.91 54.74 1x59 h ALA 13 Cb 0.41 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.09 1x59 h ALA 13 CO -0.25 0.63 -0.99 -0.07 0.00 0.00 0.00 179.25 178.57 1x59 h LEU 14 N 0.37 0.24 -0.80 0.00 4.07 0.11 -3.27 115.31 116.03 1x59 h LEU 14 Ca 0.03 -0.22 -0.09 0.00 0.08 0.00 0.00 57.88 57.69 1x59 h LEU 14 Cb 0.87 -0.07 -0.02 0.00 1.08 0.00 0.00 40.66 42.52 1x59 h LEU 14 CO 0.07 1.09 -0.04 -0.33 -1.08 0.00 0.00 178.44 178.15 1x59 h GLU 15 N 0.07 0.87 -0.53 1.13 5.08 -0.09 -2.29 114.58 118.82 1x59 h GLU 15 Ca -0.06 -0.26 0.09 0.00 -1.00 0.00 0.00 59.36 58.13 1x59 h GLU 15 Cb 1.67 -0.08 -0.07 0.00 0.50 0.00 0.00 28.75 30.76 1x59 h GLU 15 CO 0.15 0.89 0.12 1.49 -1.00 0.00 0.00 179.01 180.66 1x59 h GLU 16 N 0.80 0.25 -0.33 2.33 4.81 -1.37 0.18 114.58 121.24 1x59 h GLU 16 Ca 0.14 -0.02 -0.05 0.00 -0.13 0.00 0.00 59.36 59.31 1x59 h GLU 16 Cb 0.53 -0.06 -0.01 0.00 0.63 0.00 0.00 28.75 29.84 1x59 h GLU 16 CO 0.03 0.17 0.00 -0.07 -0.73 0.00 0.00 179.01 178.41 1x59 h LEU 17 N 0.26 0.58 -0.37 1.64 3.38 -1.53 0.26 115.31 119.53 1x59 h LEU 17 Ca 0.27 -0.31 0.00 0.00 0.09 0.00 0.00 57.88 57.94 1x59 h LEU 17 Cb 0.37 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 40.95 1x59 h LEU 17 CO -0.34 0.74 0.24 0.58 0.09 0.00 0.00 178.44 179.75 1x59 h VAL 18 N 0.40 1.10 0.38 1.22 2.07 -0.98 -0.26 116.25 120.17 1x59 h VAL 18 Ca 0.09 -0.19 -0.01 0.00 0.82 0.00 0.00 66.70 67.41 1x59 h VAL 18 Cb 0.45 0.58 -0.01 0.00 -1.52 0.00 0.00 31.29 30.78 1x59 h VAL 18 CO 0.02 0.10 -0.29 0.50 0.02 0.00 0.00 177.57 177.91 1x59 h LYS 19 N 0.49 -0.62 -0.70 1.57 3.64 -0.45 -0.81 116.57 119.68 1x59 h LYS 19 Ca 0.13 0.04 0.04 0.00 -1.27 0.00 0.00 60.65 59.60 1x59 h LYS 19 Cb -0.04 0.14 -0.04 0.00 -0.41 0.00 0.00 32.23 31.88 1x59 h LYS 19 CO -0.03 -0.42 0.46 -0.07 -2.27 0.00 0.00 179.45 177.13 1x59 h LEU 20 N -0.65 0.72 -0.34 5.20 -0.00 -0.95 0.80 115.31 120.09 1x59 h LEU 20 Ca -0.05 -0.01 -0.04 0.00 -0.00 0.00 0.00 57.88 57.78 1x59 h LEU 20 Cb 0.54 -0.16 -0.01 0.00 -0.00 0.00 0.00 40.66 41.02 1x59 h LEU 20 CO 0.01 0.49 0.05 -0.61 -0.00 0.00 0.00 178.44 178.38 1x59 h GLN 21 N 0.83 0.56 -0.18 1.13 5.75 -0.92 0.58 115.11 122.86 1x59 h GLN 21 Ca 0.29 -0.15 -0.19 0.00 -0.15 0.00 0.00 58.65 58.44 1x59 h GLN 21 Cb 0.10 -0.07 0.00 0.00 1.07 0.00 0.00 27.48 28.59 1x59 h GLN 21 CO -0.08 0.64 -0.66 0.78 -2.65 0.00 0.00 178.83 176.86 1x59 h GLY 22 N 0.39 0.74 0.88 2.39 0.00 -0.23 -1.49 103.07 105.75 1x59 h GLY 22 Ca 0.10 -0.95 -0.00 0.00 0.00 0.00 0.00 47.33 46.48 1x59 h GLY 22 CO 0.01 0.85 -0.13 0.83 0.00 0.00 0.00 176.54 178.10 1x59 h GLU 23 N 0.49 -0.30 -0.87 4.80 4.39 -0.89 -1.99 114.58 120.21 1x59 h GLU 23 Ca -0.02 0.02 0.05 0.00 0.34 0.00 0.00 59.36 59.75 1x59 h GLU 23 Cb 1.25 0.07 -0.06 0.00 -0.10 0.00 0.00 28.75 29.91 1x59 h GLU 23 CO 0.13 -0.20 0.55 -0.09 -1.16 0.00 0.00 179.01 178.24 1x59 h ARG 24 N -0.31 1.00 -0.60 2.33 2.43 -0.84 -0.86 114.38 117.52 1x59 h ARG 24 Ca -0.01 -0.06 0.02 0.00 -0.81 0.00 0.00 59.98 59.12 1x59 h ARG 24 Cb 0.28 -0.22 -0.04 0.00 -0.42 0.00 0.00 29.97 29.57 1x59 h ARG 24 CO -0.01 0.66 0.37 0.28 -1.51 0.00 0.00 179.97 179.76 1x59 h VAL 25 N 1.03 1.09 -0.85 0.20 2.07 -1.05 0.40 116.25 119.14 1x59 h VAL 25 Ca 0.36 -0.26 0.05 0.00 0.82 0.00 0.00 66.70 67.68 1x59 h VAL 25 Cb 0.10 0.28 -0.06 0.00 -1.52 0.00 0.00 31.29 30.09 1x59 h VAL 25 CO -0.15 0.14 0.53 0.03 0.02 0.00 0.00 177.57 178.14 1x59 h ARG 26 N 0.75 0.96 -0.54 1.57 2.47 -0.49 -2.11 114.38 116.98 1x59 h ARG 26 Ca 0.24 -0.06 -0.04 0.00 -1.26 0.00 0.00 59.98 58.86 1x59 h ARG 26 Cb -0.01 -0.22 -0.02 0.00 -1.65 0.00 0.00 29.97 28.08 1x59 h ARG 26 CO -0.09 0.64 0.17 0.78 0.56 0.00 0.00 179.97 182.03 1x59 h GLY 27 N 0.99 0.91 1.08 0.04 0.00 -0.20 -2.73 103.07 103.16 1x59 h GLY 27 Ca 0.36 -0.54 -0.09 0.00 0.00 0.00 0.00 47.33 47.06 1x59 h GLY 27 CO -0.15 0.50 0.07 1.41 0.00 0.00 0.00 176.54 178.37 1x59 h LEU 28 N 0.75 1.08 -0.33 3.11 3.38 0.26 0.13 115.31 123.69 1x59 h LEU 28 Ca 0.17 -0.28 -0.03 0.00 0.09 0.00 0.00 57.88 57.84 1x59 h LEU 28 Cb 0.28 -0.29 -0.01 0.00 0.09 0.00 0.00 40.66 40.73 1x59 h LEU 28 CO -0.01 1.08 0.11 0.11 0.09 0.00 0.00 178.44 179.83 1x59 h LYS 29 N 1.03 0.51 -0.63 1.13 1.57 -1.42 -1.29 116.57 117.48 1x59 h LYS 29 Ca 0.20 -0.11 0.02 0.00 -1.87 0.00 0.00 60.65 58.89 1x59 h LYS 29 Cb 0.49 -0.08 -0.04 0.00 0.08 0.00 0.00 32.23 32.68 1x59 h LYS 29 CO 0.02 0.54 0.40 0.37 -0.57 0.00 0.00 179.45 180.21 1x59 h GLN 30 N 0.38 0.78 0.00 3.15 4.15 -1.14 -1.51 115.11 120.93 1x59 h GLN 30 Ca 0.11 -0.05 0.00 0.00 0.77 0.00 0.00 58.65 59.48 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 -0.00 0.51 0.00 1.04 -1.93 0.00 0.00 178.83 178.45 1x59 n GLN 31 N -4.69 0.16 -3.86 1.69 1.13 0.41 -4.88 117.38 107.34 1x59 n GLN 31 Ca 0.05 0.47 -0.29 0.00 -1.94 0.00 0.00 57.00 55.30 1x59 n GLN 31 Cb 0.05 -1.86 0.00 0.00 0.11 0.00 0.00 30.24 28.55 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 -2.17 -2.39 -0.41 -1.09 5.02 -0.57 -5.00 118.16 111.54 1x59 n LYS 32 Ca 0.01 0.40 -0.29 0.00 -2.02 0.00 0.00 58.31 56.42 1x59 n LYS 32 Cb 0.16 -4.26 0.27 0.00 -0.02 0.00 0.00 35.03 31.18 1x59 n LYS 32 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1x59 n ALA 33 N -4.37 -3.63 -1.70 7.82 0.00 -0.58 -4.99 120.51 113.05 1x59 n ALA 33 Ca -0.22 -1.42 -0.41 0.00 0.00 0.00 0.00 53.44 51.39 1x59 n ALA 33 Cb 0.65 -1.86 0.01 0.00 0.00 0.00 0.00 19.45 18.25 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 -5.06 2.52 -0.02 0.00 7.64 -1.26 -4.91 113.62 112.53 1x59 n SER 34 Ca 0.05 1.09 -0.02 0.00 1.01 0.00 0.00 58.87 61.00 1x59 n SER 34 Cb 0.56 -1.50 0.25 0.00 -1.01 0.00 0.00 64.21 62.51 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 2.01 1.26 0.14 -0.43 0.00 -1.99 -2.47 119.26 117.78 1x59 h ALA 35 Ca -0.48 -0.24 0.01 0.00 0.00 0.00 0.00 54.91 54.20 1x59 h ALA 35 Cb 1.30 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 18.91 1x59 h ALA 35 CO 0.59 0.49 -0.25 0.93 0.00 0.00 0.00 179.25 181.02 1x59 h GLU 36 N 0.53 -0.45 -0.37 0.00 5.08 -1.99 0.70 114.58 118.09 1x59 h GLU 36 Ca 0.10 0.03 0.05 0.00 -1.00 0.00 0.00 59.36 58.55 1x59 h GLU 36 Cb 0.43 0.10 -0.05 0.00 0.50 0.00 0.00 28.75 29.73 1x59 h GLU 36 CO 0.02 -0.30 0.09 1.25 -1.00 0.00 0.00 179.01 179.08 1x59 h LEU 37 N -0.46 0.05 -0.29 1.33 5.85 -1.88 0.45 115.31 120.36 1x59 h LEU 37 Ca 0.02 0.05 -0.02 0.00 0.84 0.00 0.00 57.88 58.78 1x59 h LEU 37 Cb 0.48 0.06 -0.01 0.00 0.37 0.00 0.00 40.66 41.56 1x59 h LEU 37 CO -0.13 0.07 0.12 0.40 -0.34 0.00 0.00 178.44 178.56 1x59 h ILE 38 N 0.23 1.17 -0.53 4.05 2.04 -1.25 0.38 117.51 123.60 1x59 h ILE 38 Ca 0.17 -0.53 0.02 0.00 1.00 0.00 0.00 64.86 65.52 1x59 h ILE 38 Cb 0.19 0.98 -0.03 0.00 -0.74 0.00 0.00 36.82 37.22 1x59 h ILE 38 CO -0.21 0.18 0.34 -0.33 0.00 0.00 0.00 178.15 178.13 1x59 h GLU 39 N 0.32 0.65 0.34 2.37 5.08 -0.35 -0.87 114.58 122.14 1x59 h GLU 39 Ca 0.10 -0.04 -0.02 0.00 -1.00 0.00 0.00 59.36 58.40 1x59 h GLU 39 Cb 0.17 -0.15 0.00 0.00 0.50 0.00 0.00 28.75 29.28 1x59 h GLU 39 CO -0.01 0.43 -0.17 0.93 -1.00 0.00 0.00 179.01 179.20 1x59 h GLU 40 N 0.67 -0.44 0.00 2.33 4.39 -0.76 0.18 114.58 120.95 1x59 h GLU 40 Ca 0.21 0.03 -0.04 0.00 0.34 0.00 0.00 59.36 59.90 1x59 h GLU 40 Cb -0.02 0.10 -0.01 0.00 -0.10 0.00 0.00 28.75 28.72 1x59 h GLU 40 CO -0.07 -0.29 -0.20 0.93 -1.16 0.00 0.00 179.01 178.22 1x59 h GLU 41 N -0.47 0.00 -0.08 2.33 4.39 -0.72 0.53 114.58 120.57 1x59 h GLU 41 Ca -0.05 0.00 -0.13 0.00 0.34 0.00 0.00 59.36 59.53 1x59 h GLU 41 Cb 0.36 0.00 0.01 0.00 -0.10 0.00 0.00 28.75 29.01 1x59 h GLU 41 CO 0.08 0.20 -0.45 0.28 -1.16 0.00 0.00 179.01 177.96 1x59 h VAL 42 N 0.00 1.40 -0.86 3.13 2.07 -0.96 -1.50 116.25 119.53 1x59 h VAL 42 Ca -0.00 -1.82 -0.02 0.00 0.82 0.00 0.00 66.70 65.68 1x59 h VAL 42 Cb 0.36 2.30 -0.04 0.00 -1.52 0.00 0.00 31.29 32.39 1x59 h VAL 42 CO 0.03 0.54 0.47 0.00 0.02 0.00 0.00 177.57 178.63 1x59 h ALA 43 N 0.44 1.10 -0.03 1.67 0.00 -0.27 0.13 119.26 122.29 1x59 h ALA 43 Ca -0.03 -0.12 -0.12 0.00 0.00 0.00 0.00 54.91 54.63 1x59 h ALA 43 Cb 1.10 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 18.54 1x59 h ALA 43 CO 0.09 0.60 -0.54 0.87 0.00 0.00 0.00 179.25 180.28 1x59 h LYS 44 N 1.19 0.10 -0.16 0.00 1.57 -0.98 -1.27 116.57 117.03 1x59 h LYS 44 Ca 0.30 -0.06 -0.04 0.00 -1.87 0.00 0.00 60.65 58.98 1x59 h LYS 44 Cb 0.02 0.01 -0.00 0.00 0.08 0.00 0.00 32.23 32.33 1x59 h LYS 44 CO -0.05 0.61 -0.07 1.25 -0.57 0.00 0.00 179.45 180.62 1x59 h LEU 45 N 0.08 0.35 -0.19 2.94 5.85 -0.80 -2.17 115.31 121.37 1x59 h LEU 45 Ca -0.00 -0.41 0.03 0.00 0.84 0.00 0.00 57.88 58.34 1x59 h LEU 45 Cb 0.98 -0.10 -0.03 0.00 0.37 0.00 0.00 40.66 41.88 1x59 h LEU 45 CO 0.08 0.68 -0.01 -0.07 -0.34 0.00 0.00 178.44 178.77 1x59 h LEU 46 N 0.01 -0.09 -0.62 2.25 3.38 -0.53 -1.36 115.31 118.35 1x59 h LEU 46 Ca 0.04 0.04 0.03 0.00 0.09 0.00 0.00 57.88 58.08 1x59 h LEU 46 Cb 0.54 0.08 -0.04 0.00 0.09 0.00 0.00 40.66 41.34 1x59 h LEU 46 CO 0.02 -0.02 0.38 0.11 0.09 0.00 0.00 178.44 179.02 1x59 h LYS 47 N 0.05 0.73 0.47 1.13 1.57 -1.30 -1.07 116.57 118.15 1x59 h LYS 47 Ca 0.09 -0.04 -0.01 0.00 -1.87 0.00 0.00 60.65 58.81 1x59 h LYS 47 Cb 0.12 -0.17 -0.02 0.00 0.08 0.00 0.00 32.23 32.24 1x59 h LYS 47 CO -0.16 0.49 -0.48 -0.07 -0.57 0.00 0.00 179.45 178.65 1x59 h LEU 48 N 0.76 -1.32 -1.69 2.94 3.38 -0.75 -2.93 115.31 115.70 1x59 h LEU 48 Ca 0.25 0.11 -0.01 0.00 0.09 0.00 0.00 57.88 58.32 1x59 h LEU 48 Cb 0.01 0.44 -0.01 0.00 0.09 0.00 0.00 40.66 41.18 1x59 h LEU 48 CO -0.10 -0.64 0.11 0.11 0.09 0.00 0.00 178.44 178.01 1x59 h LYS 49 N -0.96 0.31 0.00 1.13 1.57 -1.09 -1.58 116.57 115.95 1x59 h LYS 49 Ca -0.05 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.70 1x59 h LYS 49 Cb 0.84 -0.06 0.00 0.00 0.08 0.00 0.00 32.23 33.09 1x59 h LYS 49 CO -0.07 0.25 0.00 0.00 -0.57 0.00 0.00 179.45 179.06 1x59 n ALA 50 N -2.50 1.53 -0.12 3.86 0.00 -0.42 -1.20 120.51 121.67 1x59 n ALA 50 Ca 0.00 -0.03 -0.17 0.00 0.00 0.00 0.00 53.44 53.25 1x59 n ALA 50 Cb 0.11 -1.10 -0.11 0.00 0.00 0.00 0.00 19.45 18.35 1x59 n ALA 50 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 1x59 n GLN 51 N -1.22 0.58 -0.08 0.00 6.02 -0.60 -4.25 117.38 117.83 1x59 n GLN 51 Ca 0.03 0.14 -0.08 0.00 -0.01 0.00 0.00 57.00 57.08 1x59 n GLN 51 Cb 0.04 -1.46 -0.01 0.00 1.02 0.00 0.00 30.24 29.84 1x59 n GLN 51 CO 0.00 0.00 0.00 -0.07 -1.01 0.00 0.00 177.06 175.98 1x59 h LEU 52 N -0.05 0.18 0.00 1.08 -0.00 -1.32 -3.39 115.31 111.80 1x59 h LEU 52 Ca -0.52 0.02 -0.02 0.00 -0.00 0.00 0.00 57.88 57.35 1x59 h LEU 52 Cb 1.79 -0.01 0.00 0.00 -0.00 0.00 0.00 40.66 42.44 1x59 h LEU 52 CO -0.10 0.14 -0.00 0.61 -0.00 0.00 0.00 178.44 179.09 1x59 n GLY 53 N -1.19 1.71 0.04 0.83 0.00 -0.34 -5.07 105.19 101.17 1x59 n GLY 53 Ca -0.01 -2.10 -0.02 0.00 0.00 0.00 0.00 46.02 43.90 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 -0.10 -1.84 1.61 0.13 -1.86 -3.45 132.00 126.50 1x59 h PRO 54 Ca -0.01 0.01 -0.00 0.00 -0.87 0.00 0.00 66.00 65.12 1x59 h PRO 54 Cb 0.06 0.02 -0.22 0.00 0.13 0.00 0.00 31.00 30.99 1x59 h PRO 54 CO 0.02 -0.06 0.30 0.34 -0.23 0.00 0.00 178.00 178.36 1x59 s ASP 55 N -2.42 -0.58 -0.00 1.44 2.15 -1.26 -4.85 116.67 111.15 1x59 s ASP 55 Ca -0.01 0.87 0.00 0.00 0.43 0.00 0.00 52.55 53.83 1x59 s ASP 55 Cb 0.00 0.79 0.00 0.00 -0.30 0.00 0.00 42.92 43.41 1x59 s ASP 55 CO 0.04 -0.38 0.64 -0.62 -0.17 0.00 0.00 175.17 174.68 1x59 n GLU 56 N 1.56 0.72 -1.54 4.34 1.02 -1.26 -5.01 120.64 120.46 1x59 n GLU 56 Ca -0.15 -0.77 -0.40 0.00 -0.02 0.00 0.00 57.16 55.82 1x59 n GLU 56 Cb 0.56 -0.63 -0.05 0.00 -0.02 0.00 0.00 31.44 31.31 1x59 n GLU 56 CO 0.00 0.00 0.00 0.43 1.18 0.00 0.00 177.13 178.74 1x59 n SER 57 N -0.13 2.18 -3.10 1.62 7.64 -1.26 -4.81 113.62 115.76 1x59 n SER 57 Ca 0.00 -0.20 0.03 0.00 1.01 0.00 0.00 58.87 59.71 1x59 n SER 57 Cb 0.45 -1.46 -0.00 0.00 -1.01 0.00 0.00 64.21 62.19 1x59 n SER 57 CO 0.00 0.00 0.00 -0.75 -3.01 0.00 0.00 175.04 171.28 1x59 s LYS 58 N 7.82 0.50 0.00 1.43 2.20 -1.26 -5.05 119.74 125.39 1x59 s LYS 58 Ca 1.05 0.08 0.20 0.00 -0.36 0.00 0.00 55.97 56.93 1x59 s LYS 58 Cb -0.42 0.12 -0.19 0.00 -1.51 0.00 0.00 37.83 35.83 1x59 s LYS 58 CO 0.33 -0.81 0.85 0.94 -0.36 0.00 0.00 175.35 176.31 1x59 n GLN 59 N 4.67 0.66 -2.75 4.03 7.27 -1.26 -4.98 117.38 125.01 1x59 n GLN 59 Ca 0.08 -0.12 -0.07 0.00 0.07 0.00 0.00 57.00 56.96 1x59 n GLN 59 Cb 0.58 -1.42 -0.01 0.00 2.41 0.00 0.00 30.24 31.79 1x59 n GLN 59 CO 0.00 0.00 0.00 0.36 0.07 0.00 0.00 177.06 177.49 1x59 n LYS 60 N -1.28 0.38 -1.95 3.69 2.85 -1.26 -5.10 118.16 115.49 1x59 n LYS 60 Ca 0.04 -1.40 -0.43 0.00 -1.05 0.00 0.00 58.31 55.48 1x59 n LYS 60 Cb 0.32 1.38 -0.03 0.00 -0.65 0.00 0.00 35.03 36.06 1x59 n LYS 60 CO 0.00 0.00 0.00 -0.06 -0.05 0.00 0.00 177.40 177.29 1x59 s PHE 61 N -4.13 1.78 -0.31 5.58 0.40 -1.26 -4.93 117.98 115.11 1x59 s PHE 61 Ca 0.14 0.47 -0.02 0.00 -0.60 0.00 0.00 56.93 56.92 1x59 s PHE 61 Cb -0.01 -4.05 0.11 0.00 0.51 0.00 0.00 43.02 39.58 1x59 s PHE 61 CO 0.10 -3.37 0.13 0.14 0.70 0.00 0.00 175.22 172.92 1x59 s VAL 62 N 6.18 0.29 -1.22 -0.44 -7.23 -1.26 -5.08 120.40 111.64 1x59 s VAL 62 Ca 0.80 -1.13 -0.19 0.00 -1.81 0.00 0.00 61.98 59.65 1x59 s VAL 62 Cb -0.27 -1.23 0.07 0.00 0.56 0.00 0.00 36.38 35.50 1x59 s VAL 62 CO 0.33 -0.75 1.65 -0.22 -0.31 0.00 0.00 175.10 175.79 1x59 s LEU 63 N 1.77 3.78 0.00 1.32 2.96 -1.26 -4.89 118.68 122.36 1x59 s LEU 63 Ca 0.11 -2.18 0.00 0.00 -0.22 0.00 0.00 54.13 51.84 1x59 s LEU 63 Cb -0.18 -2.57 0.00 0.00 0.50 0.00 0.00 46.19 43.94 1x59 s LEU 63 CO -0.28 -1.26 0.41 2.29 -1.32 0.00 0.00 176.35 176.19 1x59 n LYS 64 N 8.47 0.58 -4.16 1.98 2.85 -1.26 -5.19 118.16 121.43 1x59 n LYS 64 Ca 0.44 -2.62 -0.12 0.00 -1.05 0.00 0.00 58.31 54.96 1x59 n LYS 64 Cb 0.47 2.44 -0.10 0.00 -0.65 0.00 0.00 35.03 37.19 1x59 n LYS 64 CO 0.00 0.00 0.00 -0.08 -0.05 0.00 0.00 177.40 177.27 1x59 s THR 65 N -2.86 0.78 -0.02 0.58 -1.32 -1.26 -5.13 115.64 106.40 1x59 s THR 65 Ca 0.28 -1.74 -0.30 0.00 -1.21 0.00 0.00 61.69 58.72 1x59 s THR 65 Cb -0.00 -1.45 -0.04 0.00 -1.51 0.00 0.00 72.50 69.49 1x59 s THR 65 CO 0.20 -0.71 1.29 -2.16 -2.21 0.00 0.00 174.62 171.03 1x59 s PRO 66 N -3.22 4.33 -0.01 7.08 0.04 -1.26 -5.03 135.00 136.93 1x59 s PRO 66 Ca 0.07 1.81 -0.01 0.00 0.04 0.00 0.00 61.00 62.92 1x59 s PRO 66 Cb 0.01 -3.55 0.00 0.00 0.04 0.00 0.00 34.50 31.00 1x59 s PRO 66 CO -0.02 -0.49 0.01 0.21 0.04 0.00 0.00 177.00 176.75 1x59 s LYS 67 N 2.22 0.02 0.47 4.56 2.36 -1.26 -5.11 119.74 123.00 1x59 s LYS 67 Ca 0.59 0.01 0.00 0.00 -2.55 0.00 0.00 55.97 54.03 1x59 s LYS 67 Cb -0.28 0.01 0.00 0.00 -1.05 0.00 0.00 37.83 36.51 1x59 s LYS 67 CO 0.24 -0.00 0.00 0.43 1.55 0.00 0.00 175.35 177.57 1x59 n SER 68 N 3.04 -8.55 0.00 1.43 7.64 -1.26 -5.12 113.62 110.81 1x59 n SER 68 Ca -0.12 0.98 0.00 0.00 1.01 0.00 0.00 58.87 60.74 1x59 n SER 68 Cb 0.60 -4.63 0.00 0.00 -1.01 0.00 0.00 64.21 59.17 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 -4.26 -0.23 3.65 0.23 0.00 -1.26 -5.16 105.19 98.16 1x59 n GLY 69 Ca -0.03 -1.09 -0.30 0.00 0.00 0.00 0.00 46.02 44.60 1x59 n GLY 69 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1x59 s PRO 70 N -2.00 -1.11 0.00 1.61 0.04 -1.26 -5.04 135.00 127.24 1x59 s PRO 70 Ca 0.00 -0.22 0.00 0.00 0.04 0.00 0.00 61.00 60.82 1x59 s PRO 70 Cb 0.00 -1.62 0.00 0.00 0.04 0.00 0.00 34.50 32.92 1x59 s PRO 70 CO 0.00 -3.61 0.00 -1.13 0.04 0.00 0.00 177.00 172.30 1x59 n SER 71 N -4.66 0.00 -1.29 6.66 3.41 -1.26 -5.17 113.62 111.32 1x59 n SER 71 Ca 0.15 0.00 -0.01 0.00 -0.26 0.00 0.00 58.87 58.75 1x59 n SER 71 Cb 0.60 0.21 0.00 0.00 -0.26 0.00 0.00 64.21 64.76 1x59 n SER 71 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 1x59 n SER 72 N -1.82 -0.29 0.00 4.04 3.41 -1.26 -5.32 113.62 112.38 1x59 n SER 72 Ca 0.00 -1.18 0.00 0.00 -0.26 0.00 0.00 58.87 57.43 1x59 n SER 72 Cb 0.00 0.48 0.00 0.00 -0.26 0.00 0.00 64.21 64.43 1x59 n SER 72 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49