#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 5.00 -0.31 1.61 0.01 -1.26 -5.01 113.70 113.75 1x59 s SER 2 Ca 0.00 2.01 0.19 0.00 1.31 0.00 0.00 55.95 59.46 1x59 s SER 2 Cb 0.00 -2.55 0.47 0.00 0.21 0.00 0.00 66.02 64.15 1x59 s SER 2 CO 0.00 -1.70 1.11 -1.54 0.41 0.00 0.00 173.24 171.52 1x59 n SER 3 N -2.51 0.88 0.00 2.44 3.41 -1.26 -5.07 113.62 111.50 1x59 n SER 3 Ca 0.10 -2.37 0.00 0.00 -0.26 0.00 0.00 58.87 56.35 1x59 n SER 3 Cb 0.52 -0.24 0.00 0.00 -0.26 0.00 0.00 64.21 64.23 1x59 n SER 3 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1x59 n GLY 4 N -0.47 2.46 3.77 5.00 0.00 -1.26 -5.01 105.19 109.67 1x59 n GLY 4 Ca 0.04 -2.15 -0.39 0.00 0.00 0.00 0.00 46.02 43.52 1x59 n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1x59 s SER 5 N 0.00 7.07 -0.37 1.61 0.01 -1.25 -5.04 113.70 115.73 1x59 s SER 5 Ca 0.00 1.28 0.04 0.00 1.31 0.00 0.00 55.95 58.58 1x59 s SER 5 Cb 0.00 -2.40 0.16 0.00 0.21 0.00 0.00 66.02 63.99 1x59 s SER 5 CO 0.00 0.12 0.44 -0.94 0.41 0.00 0.00 173.24 173.27 1x59 s SER 6 N -0.37 0.46 0.00 2.44 1.04 -1.26 -5.06 113.70 110.94 1x59 s SER 6 Ca 0.33 -1.30 0.00 0.00 0.48 0.00 0.00 55.95 55.45 1x59 s SER 6 Cb -0.19 0.94 0.00 0.00 0.10 0.00 0.00 66.02 66.86 1x59 s SER 6 CO 0.19 -0.24 0.00 0.61 0.98 0.00 0.00 173.24 174.78 1x59 n GLY 7 N 4.36 1.33 0.36 7.32 0.00 -1.26 -5.00 105.19 112.30 1x59 n GLY 7 Ca 0.10 0.17 0.07 0.00 0.00 0.00 0.00 46.02 46.37 1x59 n GLY 7 CO 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 173.32 172.99 1x59 h MET 8 N 0.00 0.94 0.27 1.61 0.00 -1.97 0.10 114.93 115.88 1x59 h MET 8 Ca 0.00 -0.06 -0.01 0.00 0.00 0.00 0.00 59.70 59.63 1x59 h MET 8 Cb 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 31.60 31.39 1x59 h MET 8 CO 0.00 0.62 -0.13 0.00 0.00 0.00 0.00 176.91 177.40 1x59 h ALA 9 N 1.54 -0.37 -0.60 6.32 0.00 -1.99 0.18 119.26 124.33 1x59 h ALA 9 Ca 0.49 -0.10 -0.02 0.00 0.00 0.00 0.00 54.91 55.28 1x59 h ALA 9 Cb 0.49 0.14 -0.03 0.00 0.00 0.00 0.00 17.79 18.40 1x59 h ALA 9 CO -0.27 -0.68 0.30 0.93 0.00 0.00 0.00 179.25 179.53 1x59 h GLU 10 N -0.42 0.86 -0.81 0.00 5.08 -1.82 -2.86 114.58 114.60 1x59 h GLU 10 Ca -0.04 -0.12 -0.03 0.00 -1.00 0.00 0.00 59.36 58.17 1x59 h GLU 10 Cb 0.32 -0.16 -0.04 0.00 0.50 0.00 0.00 28.75 29.37 1x59 h GLU 10 CO 0.06 0.69 0.37 -0.09 -1.00 0.00 0.00 179.01 179.04 1x59 h ARG 11 N 0.82 1.18 -0.63 2.33 2.43 -0.60 -0.89 114.38 119.02 1x59 h ARG 11 Ca 0.21 -0.18 0.07 0.00 -0.81 0.00 0.00 59.98 59.26 1x59 h ARG 11 Cb 0.11 -0.21 -0.04 0.00 -0.42 0.00 0.00 29.97 29.41 1x59 h ARG 11 CO -0.03 0.92 0.42 0.00 -1.51 0.00 0.00 179.97 179.77 1x59 h ALA 12 N 1.20 1.82 0.09 2.80 0.00 -0.73 0.29 119.26 124.72 1x59 h ALA 12 Ca 0.28 -0.02 -0.26 0.00 0.00 0.00 0.00 54.91 54.90 1x59 h ALA 12 Cb 0.14 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 1x59 h ALA 12 CO -0.03 0.07 -1.26 0.00 0.00 0.00 0.00 179.25 178.03 1x59 h ALA 13 N 1.66 0.23 -0.27 0.00 0.00 -1.25 -1.81 119.26 117.82 1x59 h ALA 13 Ca 0.28 -0.96 -0.14 0.00 0.00 0.00 0.00 54.91 54.09 1x59 h ALA 13 Cb 0.32 0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.15 1x59 h ALA 13 CO -0.08 1.10 -0.37 1.25 0.00 0.00 0.00 179.25 181.15 1x59 h LEU 14 N 0.05 0.80 -1.54 0.00 6.46 -0.75 -2.81 115.31 117.52 1x59 h LEU 14 Ca -0.13 -0.50 0.01 0.00 -0.12 0.00 0.00 57.88 57.13 1x59 h LEU 14 Cb 1.93 -0.23 -0.02 0.00 -0.73 0.00 0.00 40.66 41.61 1x59 h LEU 14 CO 0.17 1.14 0.31 -0.33 -0.62 0.00 0.00 178.44 179.12 1x59 h GLU 15 N 0.47 0.62 -0.21 1.25 4.39 -0.52 -1.64 114.58 118.94 1x59 h GLU 15 Ca 0.03 -0.04 0.00 0.00 0.34 0.00 0.00 59.36 59.69 1x59 h GLU 15 Cb 0.96 -0.14 -0.01 0.00 -0.10 0.00 0.00 28.75 29.46 1x59 h GLU 15 CO 0.09 0.41 0.13 1.49 -1.16 0.00 0.00 179.01 179.97 1x59 h GLU 16 N 0.63 0.28 -0.90 2.33 4.81 -1.16 0.23 114.58 120.81 1x59 h GLU 16 Ca 0.18 -0.02 0.04 0.00 -0.13 0.00 0.00 59.36 59.42 1x59 h GLU 16 Cb -0.06 -0.06 -0.06 0.00 0.63 0.00 0.00 28.75 29.20 1x59 h GLU 16 CO -0.04 0.21 0.58 -0.07 -0.73 0.00 0.00 179.01 178.96 1x59 h LEU 17 N 0.27 0.95 -0.08 1.64 3.38 -1.11 0.87 115.31 121.23 1x59 h LEU 17 Ca 0.08 -0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.04 1x59 h LEU 17 Cb -0.00 -0.21 -0.00 0.00 0.09 0.00 0.00 40.66 40.54 1x59 h LEU 17 CO -0.02 0.64 0.03 0.58 0.09 0.00 0.00 178.44 179.76 1x59 h VAL 18 N 1.10 1.15 0.46 1.22 2.07 -0.90 -0.78 116.25 120.58 1x59 h VAL 18 Ca 0.37 -0.46 -0.01 0.00 0.82 0.00 0.00 66.70 67.41 1x59 h VAL 18 Cb 0.05 1.32 -0.02 0.00 -1.52 0.00 0.00 31.29 31.12 1x59 h VAL 18 CO -0.13 0.13 -0.40 0.50 0.02 0.00 0.00 177.57 177.69 1x59 h LYS 19 N -0.05 -0.83 -0.73 1.57 3.11 -0.05 -0.96 116.57 118.64 1x59 h LYS 19 Ca 0.03 0.06 -0.02 0.00 -2.81 0.00 0.00 60.65 57.90 1x59 h LYS 19 Cb 0.19 0.19 -0.03 0.00 -1.00 0.00 0.00 32.23 31.57 1x59 h LYS 19 CO -0.00 -0.55 0.36 -0.07 -2.81 0.00 0.00 179.45 176.38 1x59 h LEU 20 N -0.86 0.95 -0.39 5.20 -0.00 -0.86 0.15 115.31 119.49 1x59 h LEU 20 Ca -0.05 -0.13 -0.07 0.00 -0.00 0.00 0.00 57.88 57.64 1x59 h LEU 20 Cb 0.75 -0.24 -0.01 0.00 -0.00 0.00 0.00 40.66 41.15 1x59 h LEU 20 CO -0.03 0.81 -0.01 -0.61 -0.00 0.00 0.00 178.44 178.60 1x59 h GLN 21 N 1.02 0.70 -0.18 1.13 5.75 -1.07 0.20 115.11 122.65 1x59 h GLN 21 Ca 0.25 -0.23 -0.00 0.00 -0.15 0.00 0.00 58.65 58.52 1x59 h GLN 21 Cb 0.10 -0.06 -0.01 0.00 1.07 0.00 0.00 27.48 28.58 1x59 h GLN 21 CO -0.03 0.80 0.11 0.78 -2.65 0.00 0.00 178.83 177.83 1x59 h GLY 22 N 0.52 0.27 0.51 2.39 0.00 -0.88 -0.95 103.07 104.94 1x59 h GLY 22 Ca 0.11 -0.12 0.08 0.00 0.00 0.00 0.00 47.33 47.40 1x59 h GLY 22 CO 0.02 0.11 0.28 0.83 0.00 0.00 0.00 176.54 177.79 1x59 h GLU 23 N 0.21 0.49 0.09 4.80 4.39 -0.87 -2.31 114.58 121.38 1x59 h GLU 23 Ca 0.07 -0.03 -0.00 0.00 0.34 0.00 0.00 59.36 59.73 1x59 h GLU 23 Cb 0.05 -0.11 0.00 0.00 -0.10 0.00 0.00 28.75 28.59 1x59 h GLU 23 CO -0.01 0.32 -0.04 -0.09 -1.16 0.00 0.00 179.01 178.03 1x59 h ARG 24 N 0.50 -0.11 -0.49 2.33 2.43 -0.11 -0.67 114.38 118.26 1x59 h ARG 24 Ca 0.30 0.01 0.08 0.00 -0.81 0.00 0.00 59.98 59.56 1x59 h ARG 24 Cb 0.30 0.03 -0.07 0.00 -0.42 0.00 0.00 29.97 29.81 1x59 h ARG 24 CO -0.25 0.01 0.10 0.28 -1.51 0.00 0.00 179.97 178.60 1x59 h VAL 25 N -0.21 0.74 -0.66 0.20 2.07 -0.99 0.41 116.25 117.81 1x59 h VAL 25 Ca -0.01 -0.08 0.05 0.00 0.82 0.00 0.00 66.70 67.48 1x59 h VAL 25 Cb 0.17 0.47 -0.05 0.00 -1.52 0.00 0.00 31.29 30.36 1x59 h VAL 25 CO 0.02 0.04 0.38 -0.09 0.02 0.00 0.00 177.57 177.94 1x59 h ARG 26 N 0.24 0.68 -0.46 1.57 1.12 -1.13 -1.23 114.38 115.18 1x59 h ARG 26 Ca 0.24 -0.04 -0.08 0.00 -1.11 0.00 0.00 59.98 59.00 1x59 h ARG 26 Cb 0.32 -0.15 -0.02 0.00 -0.01 0.00 0.00 29.97 30.11 1x59 h ARG 26 CO -0.31 0.45 -0.01 0.78 -3.11 0.00 0.00 179.97 177.77 1x59 h GLY 27 N 0.70 0.89 1.08 2.80 0.00 0.03 -2.69 103.07 105.88 1x59 h GLY 27 Ca 0.29 -0.66 -0.11 0.00 0.00 0.00 0.00 47.33 46.85 1x59 h GLY 27 CO -0.16 0.61 -0.07 1.41 0.00 0.00 0.00 176.54 178.33 1x59 h LEU 28 N 0.67 1.03 -0.71 3.11 3.38 0.26 0.73 115.31 123.77 1x59 h LEU 28 Ca 0.13 -0.33 0.04 0.00 0.09 0.00 0.00 57.88 57.80 1x59 h LEU 28 Cb 0.52 -0.28 -0.05 0.00 0.09 0.00 0.00 40.66 40.94 1x59 h LEU 28 CO 0.03 1.12 0.43 0.11 0.09 0.00 0.00 178.44 180.22 1x59 h LYS 29 N 0.91 0.81 -0.30 1.13 1.57 -1.28 -1.17 116.57 118.24 1x59 h LYS 29 Ca 0.15 -0.05 -0.01 0.00 -1.87 0.00 0.00 60.65 58.87 1x59 h LYS 29 Cb 0.63 -0.18 -0.01 0.00 0.08 0.00 0.00 32.23 32.75 1x59 h LYS 29 CO 0.04 0.54 0.13 0.37 -0.57 0.00 0.00 179.45 179.96 1x59 h GLN 30 N 0.83 0.44 0.00 3.15 4.15 -0.99 -3.00 115.11 119.70 1x59 h GLN 30 Ca 0.30 -0.07 0.00 0.00 0.77 0.00 0.00 58.65 59.64 1x59 h GLN 30 Cb 0.07 -0.08 0.00 0.00 0.21 0.00 0.00 27.48 27.69 1x59 h GLN 30 CO -0.13 0.43 0.00 1.04 -1.93 0.00 0.00 178.83 178.24 1x59 n GLN 31 N -4.76 0.12 -3.96 1.69 1.13 0.17 -4.85 117.38 106.93 1x59 n GLN 31 Ca -0.02 0.21 -0.31 0.00 -1.94 0.00 0.00 57.00 54.94 1x59 n GLN 31 Cb 0.12 -1.50 -0.01 0.00 0.11 0.00 0.00 30.24 28.96 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 -1.34 -2.02 -0.60 -1.09 5.02 -1.02 -4.99 118.16 112.14 1x59 n LYS 32 Ca 0.05 0.32 -0.30 0.00 -2.02 0.00 0.00 58.31 56.36 1x59 n LYS 32 Cb 0.10 -4.00 0.21 0.00 -0.02 0.00 0.00 35.03 31.31 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 -4.47 -2.78 -1.71 7.82 0.00 -0.48 -4.96 120.51 113.93 1x59 n ALA 33 Ca -0.23 -1.02 -0.43 0.00 0.00 0.00 0.00 53.44 51.75 1x59 n ALA 33 Cb 0.65 -1.90 -0.02 0.00 0.00 0.00 0.00 19.45 18.18 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 -3.63 3.18 -0.27 0.00 7.64 -1.26 -4.90 113.62 114.38 1x59 n SER 34 Ca 0.05 1.17 0.01 0.00 1.01 0.00 0.00 58.87 61.10 1x59 n SER 34 Cb 0.55 -1.51 0.21 0.00 -1.01 0.00 0.00 64.21 62.46 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 3.79 1.43 0.00 -0.43 0.00 -1.99 -1.36 119.26 120.71 1x59 h ALA 35 Ca -0.46 -0.05 -0.12 0.00 0.00 0.00 0.00 54.91 54.28 1x59 h ALA 35 Cb 1.26 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 18.71 1x59 h ALA 35 CO 0.72 0.51 -0.57 1.49 0.00 0.00 0.00 179.25 181.40 1x59 h GLU 36 N 1.10 0.00 0.10 0.00 4.81 -1.98 -1.89 114.58 116.72 1x59 h GLU 36 Ca 0.32 0.00 -0.00 0.00 -0.13 0.00 0.00 59.36 59.55 1x59 h GLU 36 Cb -0.07 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.32 1x59 h GLU 36 CO -0.08 0.57 -0.05 1.25 -0.73 0.00 0.00 179.01 179.97 1x59 h LEU 37 N 0.00 -0.11 -0.17 1.64 5.85 -1.62 -0.24 115.31 120.66 1x59 h LEU 37 Ca -0.01 -0.03 0.04 0.00 0.84 0.00 0.00 57.88 58.72 1x59 h LEU 37 Cb 1.08 0.03 -0.04 0.00 0.37 0.00 0.00 40.66 42.10 1x59 h LEU 37 CO 0.07 -0.04 -0.08 0.40 -0.34 0.00 0.00 178.44 178.46 1x59 h ILE 38 N -0.17 0.74 -1.00 4.05 2.04 -1.42 -0.21 117.51 121.54 1x59 h ILE 38 Ca -0.01 0.00 0.05 0.00 1.00 0.00 0.00 64.86 65.89 1x59 h ILE 38 Cb 0.14 0.74 -0.06 0.00 -0.74 0.00 0.00 36.82 36.90 1x59 h ILE 38 CO 0.02 0.00 0.66 -0.08 0.00 0.00 0.00 178.15 178.75 1x59 h GLU 39 N -0.06 1.21 -0.08 2.37 4.22 -1.08 0.12 114.58 121.29 1x59 h GLU 39 Ca 0.09 -0.07 -0.02 0.00 0.08 0.00 0.00 59.36 59.44 1x59 h GLU 39 Cb 0.20 -0.27 -0.00 0.00 0.50 0.00 0.00 28.75 29.17 1x59 h GLU 39 CO -0.21 0.80 -0.02 1.49 -2.18 0.00 0.00 179.01 178.89 1x59 h GLU 40 N 1.24 0.16 0.00 1.92 4.22 -0.76 -1.75 114.58 119.60 1x59 h GLU 40 Ca 0.41 -0.06 -0.03 0.00 0.08 0.00 0.00 59.36 59.76 1x59 h GLU 40 Cb 0.05 -0.01 -0.00 0.00 0.50 0.00 0.00 28.75 29.29 1x59 h GLU 40 CO -0.14 0.49 -0.15 0.93 -2.18 0.00 0.00 179.01 177.96 1x59 h GLU 41 N -0.19 0.00 -0.09 1.92 4.39 -0.42 0.87 114.58 121.07 1x59 h GLU 41 Ca 0.02 0.00 -0.04 0.00 0.34 0.00 0.00 59.36 59.68 1x59 h GLU 41 Cb 0.44 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 29.08 1x59 h GLU 41 CO 0.01 0.15 -0.10 0.28 -1.16 0.00 0.00 179.01 178.19 1x59 h VAL 42 N 0.00 1.37 -0.19 3.13 2.07 -0.73 0.06 116.25 121.97 1x59 h VAL 42 Ca -0.00 -1.28 0.04 0.00 0.82 0.00 0.00 66.70 66.28 1x59 h VAL 42 Cb 0.40 2.03 -0.04 0.00 -1.52 0.00 0.00 31.29 32.15 1x59 h VAL 42 CO 0.02 0.36 -0.09 0.00 0.02 0.00 0.00 177.57 177.88 1x59 h ALA 43 N 0.56 0.07 -0.83 1.67 0.00 -0.35 0.28 119.26 120.67 1x59 h ALA 43 Ca 0.01 0.08 -0.01 0.00 0.00 0.00 0.00 54.91 54.99 1x59 h ALA 43 Cb 0.63 0.22 -0.04 0.00 0.00 0.00 0.00 17.79 18.60 1x59 h ALA 43 CO 0.02 -0.52 0.49 0.87 0.00 0.00 0.00 179.25 180.12 1x59 h LYS 44 N -0.07 1.12 0.37 0.00 1.57 -0.90 0.17 116.57 118.83 1x59 h LYS 44 Ca 0.10 -0.10 -0.02 0.00 -1.87 0.00 0.00 60.65 58.77 1x59 h LYS 44 Cb 0.23 -0.24 0.00 0.00 0.08 0.00 0.00 32.23 32.30 1x59 h LYS 44 CO -0.24 0.79 -0.18 1.25 -0.57 0.00 0.00 179.45 180.50 1x59 h LEU 45 N 1.14 -0.43 -0.36 2.94 5.85 -0.46 -2.48 115.31 121.52 1x59 h LEU 45 Ca 0.30 -0.00 -0.01 0.00 0.84 0.00 0.00 57.88 59.00 1x59 h LEU 45 Cb -0.04 0.11 -0.02 0.00 0.37 0.00 0.00 40.66 41.08 1x59 h LEU 45 CO -0.06 -0.28 0.18 -0.07 -0.34 0.00 0.00 178.44 177.87 1x59 h LEU 46 N -0.53 0.46 0.01 2.25 3.38 -0.46 -1.74 115.31 118.67 1x59 h LEU 46 Ca -0.05 -0.11 0.03 0.00 0.09 0.00 0.00 57.88 57.83 1x59 h LEU 46 Cb 0.40 -0.12 -0.04 0.00 0.09 0.00 0.00 40.66 41.00 1x59 h LEU 46 CO 0.08 0.44 -0.19 0.11 0.09 0.00 0.00 178.44 178.98 1x59 h LYS 47 N 0.44 -0.30 -0.25 1.13 1.57 -0.73 0.47 116.57 118.91 1x59 h LYS 47 Ca 0.12 0.02 -0.00 0.00 -1.87 0.00 0.00 60.65 58.92 1x59 h LYS 47 Cb 0.10 0.07 -0.01 0.00 0.08 0.00 0.00 32.23 32.47 1x59 h LYS 47 CO -0.02 -0.20 0.14 -0.07 -0.57 0.00 0.00 179.45 178.73 1x59 h LEU 48 N -0.31 0.30 -1.12 2.94 3.38 -1.34 -1.02 115.31 118.14 1x59 h LEU 48 Ca 0.05 -0.07 0.11 0.00 0.09 0.00 0.00 57.88 58.06 1x59 h LEU 48 Cb 0.38 -0.08 -0.07 0.00 0.09 0.00 0.00 40.66 40.98 1x59 h LEU 48 CO -0.17 0.29 0.60 0.11 0.09 0.00 0.00 178.44 179.36 1x59 h LYS 49 N 0.29 0.91 -0.51 1.13 1.57 -1.01 -0.41 116.57 118.55 1x59 h LYS 49 Ca 0.09 -0.05 -0.08 0.00 -1.87 0.00 0.00 60.65 58.74 1x59 h LYS 49 Cb 0.05 -0.20 -0.02 0.00 0.08 0.00 0.00 32.23 32.13 1x59 h LYS 49 CO -0.01 0.60 0.01 0.00 -0.57 0.00 0.00 179.45 179.47 1x59 h ALA 50 N 1.54 1.05 -0.01 3.86 0.00 -0.32 -2.99 119.26 122.41 1x59 h ALA 50 Ca 0.45 -0.27 -0.06 0.00 0.00 0.00 0.00 54.91 55.03 1x59 h ALA 50 Cb 0.45 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.03 1x59 h ALA 50 CO -0.21 0.59 -0.26 1.96 0.00 0.00 0.00 179.25 181.34 1x59 h GLN 51 N 0.79 0.01 0.00 0.00 4.20 0.23 -3.05 115.11 117.29 1x59 h GLN 51 Ca 0.15 -0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.86 1x59 h GLN 51 Cb 0.47 -0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.25 1x59 h GLN 51 CO 0.02 0.27 0.00 1.28 -0.67 0.00 0.00 178.83 179.73 1x59 n LEU 52 N -4.23 0.01 -0.75 1.46 7.99 -1.00 -4.77 117.00 115.71 1x59 n LEU 52 Ca -0.02 0.71 0.00 0.00 -0.01 0.00 0.00 56.01 56.69 1x59 n LEU 52 Cb 0.31 -0.22 0.00 0.00 -0.11 0.00 0.00 43.42 43.40 1x59 n LEU 52 CO 0.37 -0.22 0.00 0.61 -1.51 0.00 0.00 177.39 176.65 1x59 n GLY 53 N -0.70 0.15 0.14 -0.72 0.00 -1.16 -3.85 105.19 99.05 1x59 n GLY 53 Ca 0.00 -0.43 -0.12 0.00 0.00 0.00 0.00 46.02 45.47 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 0.37 -0.48 1.61 0.13 -1.90 -3.44 132.00 128.29 1x59 h PRO 54 Ca 0.00 -0.12 0.11 0.00 -0.87 0.00 0.00 66.00 65.11 1x59 h PRO 54 Cb 0.28 -0.03 -0.19 0.00 0.13 0.00 0.00 31.00 31.19 1x59 h PRO 54 CO 0.00 0.58 -0.18 0.34 -0.23 0.00 0.00 178.00 178.51 1x59 s ASP 55 N -5.90 -0.77 -0.26 1.44 2.15 -1.26 -5.17 116.67 106.91 1x59 s ASP 55 Ca -0.14 -0.17 -0.21 0.00 0.43 0.00 0.00 52.55 52.47 1x59 s ASP 55 Cb 0.07 1.20 0.07 0.00 -0.30 0.00 0.00 42.92 43.96 1x59 s ASP 55 CO 0.74 -0.11 0.67 -0.70 -0.17 0.00 0.00 175.17 175.60 1x59 s GLU 56 N 2.37 0.75 -0.54 4.34 2.12 -1.26 -5.11 118.70 121.38 1x59 s GLU 56 Ca 0.18 1.03 -0.28 0.00 0.36 0.00 0.00 54.97 56.26 1x59 s GLU 56 Cb -0.02 0.30 0.00 0.00 0.26 0.00 0.00 34.13 34.67 1x59 s GLU 56 CO -0.17 -0.11 1.56 -1.12 -0.54 0.00 0.00 175.26 174.87 1x59 s SER 57 N 0.78 5.92 0.18 -1.70 0.01 -1.26 -4.68 113.70 112.95 1x59 s SER 57 Ca -0.03 0.44 0.00 0.00 1.31 0.00 0.00 55.95 57.66 1x59 s SER 57 Cb -0.05 -2.54 0.00 0.00 0.21 0.00 0.00 66.02 63.64 1x59 s SER 57 CO -0.06 -1.85 0.00 0.29 0.41 0.00 0.00 173.24 172.04 1x59 n LYS 58 N 8.74 0.00 0.00 12.44 5.02 -1.26 -5.05 118.16 138.05 1x59 n LYS 58 Ca 0.15 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.44 1x59 n LYS 58 Cb 0.49 -0.07 0.00 0.00 -0.02 0.00 0.00 35.03 35.44 1x59 n LYS 58 CO 0.00 0.00 0.00 0.94 -0.52 0.00 0.00 177.40 177.82 1x59 n GLN 59 N -3.18 0.00 -1.45 1.97 7.27 -1.26 -4.74 117.38 116.00 1x59 n GLN 59 Ca 0.00 0.00 -0.16 0.00 0.07 0.00 0.00 57.00 56.91 1x59 n GLN 59 Cb 0.00 0.00 -0.07 0.00 2.41 0.00 0.00 30.24 32.58 1x59 n GLN 59 CO 0.00 0.00 0.00 1.63 0.07 0.00 0.00 177.06 178.76 1x59 n LYS 60 N 0.00 -1.56 -3.26 3.69 5.02 -1.26 -4.87 118.16 115.92 1x59 n LYS 60 Ca 0.00 1.03 -0.29 0.00 -2.02 0.00 0.00 58.31 57.03 1x59 n LYS 60 Cb 0.00 -5.41 -0.06 0.00 -0.02 0.00 0.00 35.03 29.54 1x59 n LYS 60 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 1x59 n PHE 61 N -2.23 3.57 -2.54 2.13 -0.00 -1.26 -4.97 117.46 112.15 1x59 n PHE 61 Ca -0.16 -3.92 -0.41 0.00 -0.00 0.00 0.00 57.45 52.97 1x59 n PHE 61 Cb 0.62 -0.64 -0.03 0.00 -0.00 0.00 0.00 39.48 39.44 1x59 n PHE 61 CO 0.00 0.00 0.00 0.08 -0.00 0.00 0.00 176.76 176.84 1x59 s VAL 62 N -2.96 3.93 0.85 -2.13 1.01 -1.26 -5.00 120.40 114.84 1x59 s VAL 62 Ca 0.41 -0.93 -0.12 0.00 0.00 0.00 0.00 61.98 61.33 1x59 s VAL 62 Cb 0.17 -5.05 0.09 0.00 0.00 0.00 0.00 36.38 31.59 1x59 s VAL 62 CO -0.03 -1.92 1.03 0.00 0.00 0.00 0.00 175.10 174.19 1x59 n LEU 63 N 9.01 3.23 0.00 3.92 -0.00 -1.26 -4.99 117.00 126.91 1x59 n LEU 63 Ca 0.36 0.50 0.00 0.00 -0.00 0.00 0.00 56.01 56.87 1x59 n LEU 63 Cb 0.50 -1.44 0.00 0.00 -0.00 0.00 0.00 43.42 42.48 1x59 n LEU 63 CO 0.68 -2.19 0.04 2.29 -0.00 0.00 0.00 177.39 178.21 1x59 n LYS 64 N -3.17 2.20 -3.55 1.47 2.85 -1.26 -5.06 118.16 111.64 1x59 n LYS 64 Ca 0.12 -0.09 -0.17 0.00 -1.05 0.00 0.00 58.31 57.12 1x59 n LYS 64 Cb 0.51 -0.43 -0.06 0.00 -0.65 0.00 0.00 35.03 34.40 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 -0.34 0.00 -0.84 0.58 -1.32 -1.26 -5.09 115.64 107.37 1x59 s THR 65 Ca 0.00 -0.03 -0.25 0.00 -1.21 0.00 0.00 61.69 60.20 1x59 s THR 65 Cb 0.00 -0.97 -0.00 0.00 -1.51 0.00 0.00 72.50 70.02 1x59 s THR 65 CO 0.00 -0.02 1.68 -2.16 -2.21 0.00 0.00 174.62 171.91 1x59 s PRO 66 N -0.98 2.96 0.30 7.08 0.04 -1.26 -4.97 135.00 138.17 1x59 s PRO 66 Ca -0.10 -0.30 -0.30 0.00 0.04 0.00 0.00 61.00 60.35 1x59 s PRO 66 Cb -0.01 -4.83 -0.12 0.00 0.04 0.00 0.00 34.50 29.58 1x59 s PRO 66 CO 0.08 -2.71 1.49 0.36 0.04 0.00 0.00 177.00 176.27 1x59 n LYS 67 N 9.03 2.47 -3.58 4.56 2.85 -1.26 -5.01 118.16 127.22 1x59 n LYS 67 Ca 0.27 0.88 -0.17 0.00 -1.05 0.00 0.00 58.31 58.24 1x59 n LYS 67 Cb 0.50 -2.59 -0.07 0.00 -0.65 0.00 0.00 35.03 32.21 1x59 n LYS 67 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 177.40 177.80 1x59 s SER 68 N 0.23 -0.55 0.00 -5.58 0.15 -1.26 -5.18 113.70 101.51 1x59 s SER 68 Ca 0.62 0.59 0.00 0.00 0.70 0.00 0.00 55.95 57.86 1x59 s SER 68 Cb -0.54 0.51 0.00 0.00 -1.71 0.00 0.00 66.02 64.29 1x59 s SER 68 CO 0.53 -0.56 0.00 0.61 1.20 0.00 0.00 173.24 175.03 1x59 n GLY 69 N 1.07 -0.68 3.55 9.45 0.00 -1.26 -5.09 105.19 112.23 1x59 n GLY 69 Ca -0.19 -1.00 -0.32 0.00 0.00 0.00 0.00 46.02 44.51 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 2.55 0.84 1.61 0.04 -1.26 -4.98 135.00 131.80 1x59 s PRO 70 Ca 0.00 0.20 -0.14 0.00 0.04 0.00 0.00 61.00 61.10 1x59 s PRO 70 Cb 0.00 -4.72 0.21 0.00 0.04 0.00 0.00 34.50 30.03 1x59 s PRO 70 CO 0.00 -3.10 0.64 0.45 0.04 0.00 0.00 177.00 175.03 1x59 n SER 71 N 13.58 -2.36 -4.09 6.66 2.88 -1.26 -5.09 113.62 123.95 1x59 n SER 71 Ca 0.31 -0.78 -0.27 0.00 -1.33 0.00 0.00 58.87 56.80 1x59 n SER 71 Cb 0.49 -0.63 -0.17 0.00 -0.75 0.00 0.00 64.21 63.15 1x59 n SER 71 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 1x59 s SER 72 N -3.11 2.19 0.00 -3.46 1.04 -1.26 -5.32 113.70 103.78 1x59 s SER 72 Ca 0.44 -0.38 0.00 0.00 0.48 0.00 0.00 55.95 56.49 1x59 s SER 72 Cb -0.06 -1.00 0.00 0.00 0.10 0.00 0.00 66.02 65.06 1x59 s SER 72 CO 0.35 0.08 0.00 0.61 0.98 0.00 0.00 173.24 175.25