#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 2.84 0.00 1.61 1.04 -1.26 -5.03 113.70 112.90 1x59 s SER 2 Ca 0.00 0.69 0.14 0.00 0.48 0.00 0.00 55.95 57.26 1x59 s SER 2 Cb 0.00 -1.04 -0.10 0.00 0.10 0.00 0.00 66.02 64.98 1x59 s SER 2 CO 0.00 -2.94 0.67 -1.54 0.98 0.00 0.00 173.24 170.41 1x59 n SER 3 N -3.98 0.96 0.00 7.02 3.41 -1.26 -5.06 113.62 114.71 1x59 n SER 3 Ca 0.10 -0.98 0.00 0.00 -0.26 0.00 0.00 58.87 57.73 1x59 n SER 3 Cb 0.59 0.82 0.00 0.00 -0.26 0.00 0.00 64.21 65.36 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 1.25 1.68 3.68 5.00 0.00 -1.26 -4.62 105.19 110.92 1x59 n GLY 4 Ca 0.04 0.11 -0.09 0.00 0.00 0.00 0.00 46.02 46.08 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 -4.00 -0.31 0.05 1.61 0.01 -1.26 -5.19 113.70 104.60 1x59 s SER 5 Ca 0.00 -0.48 0.00 0.00 1.31 0.00 0.00 55.95 56.79 1x59 s SER 5 Cb 0.00 0.66 -0.03 0.00 0.21 0.00 0.00 66.02 66.86 1x59 s SER 5 CO 0.00 -1.19 -0.04 -0.44 0.41 0.00 0.00 173.24 171.97 1x59 s SER 6 N -2.88 0.59 0.00 2.44 0.01 -1.26 -5.08 113.70 107.51 1x59 s SER 6 Ca 0.09 -0.79 0.00 0.00 1.31 0.00 0.00 55.95 56.56 1x59 s SER 6 Cb -0.04 0.13 0.00 0.00 0.21 0.00 0.00 66.02 66.32 1x59 s SER 6 CO 0.01 -0.43 0.00 0.61 0.41 0.00 0.00 173.24 173.84 1x59 n GLY 7 N 0.71 -1.80 0.26 3.44 0.00 -1.26 -5.05 105.19 101.48 1x59 n GLY 7 Ca -0.18 0.81 0.13 0.00 0.00 0.00 0.00 46.02 46.78 1x59 n GLY 7 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1x59 h MET 8 N 0.00 0.00 -0.18 1.61 -0.00 -1.98 0.11 114.93 114.49 1x59 h MET 8 Ca 0.00 0.00 -0.12 0.00 -0.00 0.00 0.00 59.70 59.58 1x59 h MET 8 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 31.60 1x59 h MET 8 CO 0.00 0.14 -0.34 0.00 -0.00 0.00 0.00 176.91 176.71 1x59 h ALA 9 N 1.86 0.28 -0.16 -3.00 0.00 -1.99 -2.11 119.26 114.15 1x59 h ALA 9 Ca -0.00 -0.43 -0.01 0.00 0.00 0.00 0.00 54.91 54.47 1x59 h ALA 9 Cb 0.46 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.20 1x59 h ALA 9 CO 0.02 0.33 0.04 0.93 0.00 0.00 0.00 179.25 180.57 1x59 h GLU 10 N 0.20 0.25 -0.83 0.00 5.08 -1.78 -2.25 114.58 115.25 1x59 h GLU 10 Ca 0.01 -0.06 0.10 0.00 -1.00 0.00 0.00 59.36 58.41 1x59 h GLU 10 Cb 0.94 -0.03 -0.06 0.00 0.50 0.00 0.00 28.75 30.10 1x59 h GLU 10 CO 0.08 0.39 0.54 0.00 -1.00 0.00 0.00 179.01 179.01 1x59 h ARG 11 N 0.06 0.75 -0.23 2.33 -0.00 -0.88 0.50 114.38 116.90 1x59 h ARG 11 Ca 0.05 -0.04 -0.12 0.00 -0.50 0.00 0.00 59.98 59.36 1x59 h ARG 11 Cb 0.25 -0.17 -0.01 0.00 0.00 0.00 0.00 29.97 30.04 1x59 h ARG 11 CO -0.00 0.49 -0.38 0.00 0.00 0.00 0.00 179.97 180.08 1x59 h ALA 12 N 1.59 0.92 -0.46 0.04 0.00 -0.94 0.17 119.26 120.58 1x59 h ALA 12 Ca 0.38 -0.42 -0.09 0.00 0.00 0.00 0.00 54.91 54.78 1x59 h ALA 12 Cb 0.45 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.12 1x59 h ALA 12 CO -0.15 0.63 -0.05 0.00 0.00 0.00 0.00 179.25 179.67 1x59 h ALA 13 N 1.16 0.62 -0.58 0.00 0.00 -0.69 -1.61 119.26 118.16 1x59 h ALA 13 Ca 0.04 -0.30 -0.10 0.00 0.00 0.00 0.00 54.91 54.54 1x59 h ALA 13 Cb 0.86 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.46 1x59 h ALA 13 CO 0.07 0.46 -0.05 -0.07 0.00 0.00 0.00 179.25 179.67 1x59 h LEU 14 N 0.68 1.05 -1.63 0.00 3.38 -0.76 -0.67 115.31 117.35 1x59 h LEU 14 Ca 0.12 -0.32 -0.04 0.00 0.09 0.00 0.00 57.88 57.73 1x59 h LEU 14 Cb 0.57 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 41.04 1x59 h LEU 14 CO 0.03 1.12 -0.20 -0.33 0.09 0.00 0.00 178.44 179.15 1x59 h GLU 15 N 0.95 0.00 -0.10 1.13 4.39 -0.65 -2.21 114.58 118.10 1x59 h GLU 15 Ca 0.16 0.00 -0.04 0.00 0.34 0.00 0.00 59.36 59.82 1x59 h GLU 15 Cb 0.61 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 29.26 1x59 h GLU 15 CO 0.04 0.20 -0.08 1.49 -1.16 0.00 0.00 179.01 179.51 1x59 h GLU 16 N 0.00 0.22 0.00 2.33 4.81 -0.40 -0.63 114.58 120.92 1x59 h GLU 16 Ca -0.00 -0.11 -0.00 0.00 -0.13 0.00 0.00 59.36 59.11 1x59 h GLU 16 Cb 0.45 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 29.83 1x59 h GLU 16 CO 0.03 0.62 -0.02 -0.07 -0.73 0.00 0.00 179.01 178.84 1x59 h LEU 17 N -0.17 0.00 0.01 1.64 3.38 -0.72 0.19 115.31 119.64 1x59 h LEU 17 Ca 0.02 0.00 -0.34 0.00 0.09 0.00 0.00 57.88 57.64 1x59 h LEU 17 Cb 0.57 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 41.26 1x59 h LEU 17 CO 0.02 0.02 -2.13 0.52 0.09 0.00 0.00 178.44 176.96 1x59 n VAL 18 N -3.27 1.51 0.10 1.22 0.31 -0.87 -3.44 118.33 113.90 1x59 n VAL 18 Ca -0.02 -0.79 -0.04 0.00 -0.01 0.00 0.00 64.34 63.48 1x59 n VAL 18 Cb 0.13 -0.88 -0.02 0.00 -0.91 0.00 0.00 33.84 32.16 1x59 n VAL 18 CO 0.00 0.00 0.00 0.11 -1.32 0.00 0.00 176.83 175.62 1x59 h LYS 19 N 0.01 -0.26 -0.62 5.55 1.57 -0.43 -1.95 116.57 120.43 1x59 h LYS 19 Ca -0.45 0.02 -0.05 0.00 -1.87 0.00 0.00 60.65 58.29 1x59 h LYS 19 Cb 2.11 0.06 -0.03 0.00 0.08 0.00 0.00 32.23 34.45 1x59 h LYS 19 CO 0.04 -0.17 0.18 -0.07 -0.57 0.00 0.00 179.45 178.85 1x59 h LEU 20 N -0.27 0.92 0.16 2.94 -0.00 -0.85 0.20 115.31 118.41 1x59 h LEU 20 Ca -0.03 -0.22 -0.01 0.00 -0.00 0.00 0.00 57.88 57.63 1x59 h LEU 20 Cb 0.21 -0.24 -0.00 0.00 -0.00 0.00 0.00 40.66 40.63 1x59 h LEU 20 CO 0.03 0.90 -0.09 -0.61 -0.00 0.00 0.00 178.44 178.67 1x59 h GLN 21 N 0.90 -0.23 -0.26 1.13 5.75 -1.69 0.91 115.11 121.63 1x59 h GLN 21 Ca 0.20 0.02 -0.01 0.00 -0.15 0.00 0.00 58.65 58.71 1x59 h GLN 21 Cb 0.32 0.05 -0.01 0.00 1.07 0.00 0.00 27.48 28.91 1x59 h GLN 21 CO -0.00 -0.15 0.13 0.78 -2.65 0.00 0.00 178.83 176.93 1x59 h GLY 22 N -0.24 0.39 1.20 2.39 0.00 -0.63 0.36 103.07 106.54 1x59 h GLY 22 Ca -0.02 -0.19 0.01 0.00 0.00 0.00 0.00 47.33 47.13 1x59 h GLY 22 CO 0.03 0.18 0.53 0.83 0.00 0.00 0.00 176.54 178.10 1x59 h GLU 23 N 0.29 1.03 -0.17 4.80 5.08 -0.61 -0.94 114.58 124.07 1x59 h GLU 23 Ca 0.09 -0.06 -0.22 0.00 -1.00 0.00 0.00 59.36 58.17 1x59 h GLU 23 Cb 0.10 -0.23 0.01 0.00 0.50 0.00 0.00 28.75 29.12 1x59 h GLU 23 CO -0.01 0.68 -0.74 -0.09 -1.00 0.00 0.00 179.01 177.84 1x59 h ARG 24 N 1.06 0.78 -0.54 2.33 2.43 -0.28 -1.17 114.38 118.98 1x59 h ARG 24 Ca 0.30 -0.61 0.04 0.00 -0.81 0.00 0.00 59.98 58.89 1x59 h ARG 24 Cb -0.10 0.12 -0.04 0.00 -0.42 0.00 0.00 29.97 29.53 1x59 h ARG 24 CO -0.07 1.23 0.30 0.28 -1.51 0.00 0.00 179.97 180.19 1x59 h VAL 25 N 0.54 1.00 -0.08 0.20 2.07 -0.57 0.38 116.25 119.80 1x59 h VAL 25 Ca -0.04 -0.20 0.04 0.00 0.82 0.00 0.00 66.70 67.32 1x59 h VAL 25 Cb 1.37 0.37 -0.05 0.00 -1.52 0.00 0.00 31.29 31.45 1x59 h VAL 25 CO 0.15 0.11 -0.26 0.03 0.02 0.00 0.00 177.57 177.62 1x59 h ARG 26 N 0.58 -0.34 -0.33 1.57 3.08 -1.06 -0.55 114.38 117.33 1x59 h ARG 26 Ca 0.23 0.02 0.07 0.00 0.07 0.00 0.00 59.98 60.37 1x59 h ARG 26 Cb 0.10 0.08 -0.06 0.00 0.08 0.00 0.00 29.97 30.16 1x59 h ARG 26 CO -0.14 -0.23 -0.08 0.78 -1.07 0.00 0.00 179.97 179.24 1x59 h GLY 27 N -0.35 0.24 1.25 0.04 0.00 -0.36 -1.36 103.07 102.53 1x59 h GLY 27 Ca 0.08 0.10 -0.11 0.00 0.00 0.00 0.00 47.33 47.41 1x59 h GLY 27 CO -0.28 -0.12 -0.17 1.41 0.00 0.00 0.00 176.54 177.38 1x59 h LEU 28 N 0.00 0.88 0.34 3.11 3.38 0.19 0.19 115.31 123.41 1x59 h LEU 28 Ca 0.16 -0.30 -0.01 0.00 0.09 0.00 0.00 57.88 57.82 1x59 h LEU 28 Cb 0.24 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.74 1x59 h LEU 28 CO -0.33 1.03 -0.25 0.11 0.09 0.00 0.00 178.44 179.09 1x59 h LYS 29 N 0.77 -0.56 -0.60 1.13 1.57 -0.93 -1.30 116.57 116.65 1x59 h LYS 29 Ca 0.11 0.04 0.09 0.00 -1.87 0.00 0.00 60.65 59.02 1x59 h LYS 29 Cb 0.69 0.13 -0.07 0.00 0.08 0.00 0.00 32.23 33.06 1x59 h LYS 29 CO 0.05 -0.37 0.23 0.37 -0.57 0.00 0.00 179.45 179.16 1x59 h GLN 30 N -0.58 0.41 0.00 3.15 4.15 -0.80 -1.12 115.11 120.32 1x59 h GLN 30 Ca -0.03 -0.02 0.00 0.00 0.77 0.00 0.00 58.65 59.37 1x59 h GLN 30 Cb 0.50 -0.09 0.00 0.00 0.21 0.00 0.00 27.48 28.10 1x59 h GLN 30 CO 0.01 0.27 0.00 1.04 -1.93 0.00 0.00 178.83 178.22 1x59 n GLN 31 N -4.98 0.12 -4.00 1.69 1.13 0.64 -4.86 117.38 107.12 1x59 n GLN 31 Ca 0.08 0.21 -0.26 0.00 -1.94 0.00 0.00 57.00 55.09 1x59 n GLN 31 Cb 0.26 -1.50 -0.03 0.00 0.11 0.00 0.00 30.24 29.08 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 -3.10 -0.73 -1.09 4.76 -0.42 -4.98 118.16 111.25 1x59 n LYS 32 Ca 0.05 0.38 -0.29 0.00 -2.87 0.00 0.00 58.31 55.58 1x59 n LYS 32 Cb 0.10 -4.48 0.22 0.00 -1.84 0.00 0.00 35.03 29.03 1x59 n LYS 32 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1x59 s ALA 33 N -3.96 0.07 0.27 7.82 0.00 -0.52 -4.97 121.76 120.47 1x59 s ALA 33 Ca 0.04 -0.13 -0.30 0.00 0.00 0.00 0.00 51.96 51.57 1x59 s ALA 33 Cb -0.02 -3.23 -0.13 0.00 0.00 0.00 0.00 23.12 19.73 1x59 s ALA 33 CO 0.90 -3.48 1.28 0.43 0.00 0.00 0.00 175.76 174.89 1x59 n SER 34 N -4.66 2.33 -0.24 0.00 7.64 -1.26 -4.89 113.62 112.54 1x59 n SER 34 Ca 0.04 1.17 0.05 0.00 1.01 0.00 0.00 58.87 61.13 1x59 n SER 34 Cb 0.55 -1.39 0.17 0.00 -1.01 0.00 0.00 64.21 62.53 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 3.30 0.92 0.00 -0.43 0.00 -1.98 -1.14 119.26 119.93 1x59 h ALA 35 Ca -0.44 0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.63 1x59 h ALA 35 Cb 1.30 0.21 0.00 0.00 0.00 0.00 0.00 17.79 19.30 1x59 h ALA 35 CO 0.69 -0.32 0.00 0.93 0.00 0.00 0.00 179.25 180.55 1x59 h GLU 36 N 0.28 0.00 -0.13 0.00 5.08 -1.99 -0.65 114.58 117.17 1x59 h GLU 36 Ca 0.40 0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 58.72 1x59 h GLU 36 Cb 0.66 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.90 1x59 h GLU 36 CO -0.48 0.00 -0.05 1.25 -1.00 0.00 0.00 179.01 178.72 1x59 h LEU 37 N 0.00 0.27 -0.68 1.33 5.85 -1.58 -2.24 115.31 118.27 1x59 h LEU 37 Ca 0.00 -0.40 0.00 0.00 0.84 0.00 0.00 57.88 58.33 1x59 h LEU 37 Cb 0.72 -0.08 -0.03 0.00 0.37 0.00 0.00 40.66 41.64 1x59 h LEU 37 CO 0.00 0.61 0.43 0.40 -0.34 0.00 0.00 178.44 179.54 1x59 h ILE 38 N -0.06 1.18 -0.47 4.05 2.04 -1.21 -2.25 117.51 120.79 1x59 h ILE 38 Ca 0.03 -0.36 0.06 0.00 1.00 0.00 0.00 64.86 65.60 1x59 h ILE 38 Cb 0.50 0.21 -0.05 0.00 -0.74 0.00 0.00 36.82 36.73 1x59 h ILE 38 CO 0.02 0.18 0.16 -0.33 0.00 0.00 0.00 178.15 178.18 1x59 h GLU 39 N 0.92 0.32 -0.14 2.37 4.39 -1.07 0.12 114.58 121.49 1x59 h GLU 39 Ca 0.25 -0.02 0.03 0.00 0.34 0.00 0.00 59.36 59.95 1x59 h GLU 39 Cb -0.08 -0.07 -0.03 0.00 -0.10 0.00 0.00 28.75 28.47 1x59 h GLU 39 CO -0.05 0.21 -0.04 1.49 -1.16 0.00 0.00 179.01 179.46 1x59 h GLU 40 N 0.33 -0.01 -0.00 2.33 4.81 -1.06 -0.85 114.58 120.12 1x59 h GLU 40 Ca 0.22 0.00 -0.16 0.00 -0.13 0.00 0.00 59.36 59.30 1x59 h GLU 40 Cb 0.24 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 29.60 1x59 h GLU 40 CO -0.24 -0.01 -0.75 0.93 -0.73 0.00 0.00 179.01 178.22 1x59 h GLU 41 N -0.01 0.03 -0.18 1.92 4.39 -0.99 -1.04 114.58 118.69 1x59 h GLU 41 Ca 0.07 -0.03 -0.09 0.00 0.34 0.00 0.00 59.36 59.65 1x59 h GLU 41 Cb 0.12 0.01 -0.00 0.00 -0.10 0.00 0.00 28.75 28.77 1x59 h GLU 41 CO -0.15 0.76 -0.22 0.28 -1.16 0.00 0.00 179.01 178.52 1x59 h VAL 42 N 0.02 1.34 -0.27 3.13 2.07 -0.58 0.52 116.25 122.47 1x59 h VAL 42 Ca -0.01 -1.41 0.00 0.00 0.82 0.00 0.00 66.70 66.10 1x59 h VAL 42 Cb 1.32 1.83 -0.01 0.00 -1.52 0.00 0.00 31.29 32.90 1x59 h VAL 42 CO 0.10 0.43 0.18 0.00 0.02 0.00 0.00 177.57 178.29 1x59 h ALA 43 N 0.62 0.35 -0.84 1.67 0.00 -1.04 0.11 119.26 120.12 1x59 h ALA 43 Ca 0.02 -0.03 0.02 0.00 0.00 0.00 0.00 54.91 54.93 1x59 h ALA 43 Cb 0.78 -0.11 -0.05 0.00 0.00 0.00 0.00 17.79 18.41 1x59 h ALA 43 CO 0.05 -0.17 0.55 0.87 0.00 0.00 0.00 179.25 180.56 1x59 h LYS 44 N 0.36 1.07 0.30 0.00 1.57 -1.16 -0.18 116.57 118.53 1x59 h LYS 44 Ca 0.10 -0.06 -0.01 0.00 -1.87 0.00 0.00 60.65 58.80 1x59 h LYS 44 Cb -0.02 -0.24 0.00 0.00 0.08 0.00 0.00 32.23 32.05 1x59 h LYS 44 CO -0.02 0.71 -0.14 1.25 -0.57 0.00 0.00 179.45 180.67 1x59 h LEU 45 N 1.10 -0.34 0.04 2.94 5.85 -0.51 -0.85 115.31 123.53 1x59 h LEU 45 Ca 0.32 -0.02 0.02 0.00 0.84 0.00 0.00 57.88 59.04 1x59 h LEU 45 Cb -0.06 0.09 -0.03 0.00 0.37 0.00 0.00 40.66 41.03 1x59 h LEU 45 CO -0.09 -0.20 -0.17 -0.07 -0.34 0.00 0.00 178.44 177.57 1x59 h LEU 46 N -0.45 -0.48 -0.53 2.25 3.38 -0.57 0.43 115.31 119.33 1x59 h LEU 46 Ca -0.04 0.06 0.04 0.00 0.09 0.00 0.00 57.88 58.03 1x59 h LEU 46 Cb 0.34 0.20 -0.04 0.00 0.09 0.00 0.00 40.66 41.25 1x59 h LEU 46 CO 0.07 -0.24 0.29 0.11 0.09 0.00 0.00 178.44 178.76 1x59 h LYS 47 N -0.30 0.55 -0.30 1.13 1.57 -1.03 -0.73 116.57 117.46 1x59 h LYS 47 Ca 0.04 -0.03 0.02 0.00 -1.87 0.00 0.00 60.65 58.80 1x59 h LYS 47 Cb 0.35 -0.12 -0.02 0.00 0.08 0.00 0.00 32.23 32.51 1x59 h LYS 47 CO -0.13 0.36 0.16 -0.07 -0.57 0.00 0.00 179.45 179.20 1x59 h LEU 48 N 0.57 0.25 -2.08 2.94 3.38 -0.79 -1.18 115.31 118.40 1x59 h LEU 48 Ca 0.22 0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.20 1x59 h LEU 48 Cb 0.09 -0.04 -0.00 0.00 0.09 0.00 0.00 40.66 40.80 1x59 h LEU 48 CO -0.13 0.19 0.00 0.11 0.09 0.00 0.00 178.44 178.70 1x59 h LYS 49 N 0.33 0.00 -0.00 1.13 1.57 -0.15 0.13 116.57 119.59 1x59 h LYS 49 Ca 0.12 0.00 -0.14 0.00 -1.87 0.00 0.00 60.65 58.76 1x59 h LYS 49 Cb 0.02 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.31 1x59 h LYS 49 CO -0.07 0.00 -0.69 0.00 -0.57 0.00 0.00 179.45 178.12 1x59 h ALA 50 N 2.00 0.87 -0.31 3.86 0.00 -0.46 -1.52 119.26 123.70 1x59 h ALA 50 Ca 0.00 -0.62 -0.10 0.00 0.00 0.00 0.00 54.91 54.19 1x59 h ALA 50 Cb 0.01 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.69 1x59 h ALA 50 CO -0.00 0.85 -0.21 1.96 0.00 0.00 0.00 179.25 181.85 1x59 h GLN 51 N 0.01 0.69 0.00 0.00 4.20 0.11 -2.77 115.11 117.34 1x59 h GLN 51 Ca -0.01 -0.33 0.00 0.00 0.06 0.00 0.00 58.65 58.37 1x59 h GLN 51 Cb 1.21 -0.01 0.00 0.00 0.30 0.00 0.00 27.48 28.99 1x59 h GLN 51 CO 0.09 0.93 0.00 -0.07 -0.67 0.00 0.00 178.83 179.11 1x59 h LEU 52 N 0.44 0.00 0.00 1.46 -0.00 -0.99 -3.46 115.31 112.77 1x59 h LEU 52 Ca 0.06 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.94 1x59 h LEU 52 Cb 0.76 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.42 1x59 h LEU 52 CO 0.06 0.00 0.00 0.61 -0.00 0.00 0.00 178.44 179.11 1x59 n GLY 53 N -0.51 3.00 3.72 0.83 0.00 -0.58 -5.07 105.19 106.58 1x59 n GLY 53 Ca 0.00 -2.10 -0.42 0.00 0.00 0.00 0.00 46.02 43.50 1x59 n GLY 53 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1x59 s PRO 54 N -0.13 4.34 0.24 1.61 0.04 -1.26 -4.94 135.00 134.90 1x59 s PRO 54 Ca 0.00 2.08 -0.30 0.00 0.04 0.00 0.00 61.00 62.81 1x59 s PRO 54 Cb 0.00 -3.23 -0.10 0.00 0.04 0.00 0.00 34.50 31.21 1x59 s PRO 54 CO 0.00 -0.38 1.52 -0.51 0.04 0.00 0.00 177.00 177.67 1x59 s ASP 55 N 0.85 6.55 0.45 6.66 1.01 -1.26 -4.88 116.67 126.05 1x59 s ASP 55 Ca 0.62 2.74 -0.01 0.00 0.71 0.00 0.00 52.55 56.61 1x59 s ASP 55 Cb -0.37 -2.62 -0.01 0.00 1.01 0.00 0.00 42.92 40.93 1x59 s ASP 55 CO 0.33 -0.80 0.68 -1.83 0.21 0.00 0.00 175.17 173.77 1x59 s GLU 56 N 0.00 3.16 0.02 8.23 -1.05 -1.26 -5.13 118.70 122.67 1x59 s GLU 56 Ca 0.63 -0.36 0.02 0.00 -0.15 0.00 0.00 54.97 55.12 1x59 s GLU 56 Cb -0.44 -2.53 -0.01 0.00 -0.44 0.00 0.00 34.13 30.70 1x59 s GLU 56 CO 0.41 -0.24 -0.07 0.45 0.95 0.00 0.00 175.26 176.76 1x59 s SER 57 N -4.19 0.77 0.02 0.83 0.15 -1.26 -5.03 113.70 105.00 1x59 s SER 57 Ca 0.47 -0.32 0.00 0.00 0.70 0.00 0.00 55.95 56.80 1x59 s SER 57 Cb -0.10 -0.02 0.00 0.00 -1.71 0.00 0.00 66.02 64.19 1x59 s SER 57 CO 0.39 -0.06 0.00 0.29 1.20 0.00 0.00 173.24 175.06 1x59 n LYS 58 N 2.21 0.00 -3.64 5.44 5.02 -1.26 -5.14 118.16 120.79 1x59 n LYS 58 Ca -0.18 0.00 -0.08 0.00 -2.02 0.00 0.00 58.31 56.04 1x59 n LYS 58 Cb 0.56 0.00 -0.07 0.00 -0.02 0.00 0.00 35.03 35.50 1x59 n LYS 58 CO 0.00 0.00 0.00 1.14 -0.52 0.00 0.00 177.40 178.02 1x59 s GLN 59 N -2.00 0.71 -0.06 1.97 -2.07 -1.26 -5.07 119.66 111.88 1x59 s GLN 59 Ca 0.00 1.20 -0.01 0.00 -1.82 0.00 0.00 55.36 54.73 1x59 s GLN 59 Cb 0.00 0.16 0.01 0.00 -1.09 0.00 0.00 33.01 32.09 1x59 s GLN 59 CO 0.00 -0.15 0.03 1.63 -1.32 0.00 0.00 175.29 175.48 1x59 n LYS 60 N 4.17 -1.54 -1.56 9.60 4.01 -1.26 -4.88 118.16 126.71 1x59 n LYS 60 Ca -0.20 1.50 -0.38 0.00 -0.51 0.00 0.00 58.31 58.72 1x59 n LYS 60 Cb 0.59 -1.98 0.04 0.00 -0.51 0.00 0.00 35.03 33.16 1x59 n LYS 60 CO 0.00 0.00 0.00 1.19 -1.11 0.00 0.00 177.40 177.48 1x59 n PHE 61 N 1.68 0.33 -3.89 2.13 3.72 -1.26 -4.97 117.46 115.19 1x59 n PHE 61 Ca -0.05 0.46 -0.30 0.00 -0.05 0.00 0.00 57.45 57.51 1x59 n PHE 61 Cb 0.28 -2.08 -0.14 0.00 -0.94 0.00 0.00 39.48 36.60 1x59 n PHE 61 CO 0.00 0.00 0.00 0.14 -0.05 0.00 0.00 176.76 176.85 1x59 s VAL 62 N -1.55 2.06 -0.24 -4.37 -7.23 -1.26 -5.05 120.40 102.77 1x59 s VAL 62 Ca 0.71 -2.73 -0.04 0.00 -1.81 0.00 0.00 61.98 58.11 1x59 s VAL 62 Cb -0.45 -2.46 0.08 0.00 0.56 0.00 0.00 36.38 34.11 1x59 s VAL 62 CO 0.51 -0.77 0.13 -1.48 -0.31 0.00 0.00 175.10 173.18 1x59 s LEU 63 N 0.32 0.38 0.00 1.32 2.34 -1.26 -5.11 118.68 116.67 1x59 s LEU 63 Ca 0.15 -0.92 0.00 0.00 0.06 0.00 0.00 54.13 53.42 1x59 s LEU 63 Cb -0.23 -0.22 0.00 0.00 -0.56 0.00 0.00 46.19 45.17 1x59 s LEU 63 CO -0.04 -0.39 0.00 0.29 -1.06 0.00 0.00 176.35 175.15 1x59 n LYS 64 N 5.27 0.00 -4.34 1.48 5.02 -1.26 -4.87 118.16 119.47 1x59 n LYS 64 Ca -0.06 0.00 -0.29 0.00 -2.02 0.00 0.00 58.31 55.94 1x59 n LYS 64 Cb 0.46 0.00 -0.12 0.00 -0.02 0.00 0.00 35.03 35.35 1x59 n LYS 64 CO 0.00 0.00 0.00 0.95 -0.52 0.00 0.00 177.40 177.83 1x59 s THR 65 N 0.00 2.63 0.09 -0.18 -4.23 -1.26 -5.03 115.64 107.67 1x59 s THR 65 Ca 0.00 -1.62 -0.24 0.00 -1.18 0.00 0.00 61.69 58.65 1x59 s THR 65 Cb 0.00 -2.20 -0.13 0.00 1.34 0.00 0.00 72.50 71.51 1x59 s THR 65 CO 0.00 0.08 1.71 1.55 -0.54 0.00 0.00 174.62 177.42 1x59 h PRO 66 N 3.73 -0.17 -6.99 3.99 0.13 -2.04 -3.47 132.00 127.18 1x59 h PRO 66 Ca -0.50 0.01 -0.60 0.00 -0.87 0.00 0.00 66.00 64.04 1x59 h PRO 66 Cb 1.17 0.04 -0.12 0.00 0.13 0.00 0.00 31.00 32.22 1x59 h PRO 66 CO 0.44 -0.11 -0.98 1.17 -0.23 0.00 0.00 178.00 178.28 1x59 n LYS 67 N -5.19 -0.78 -3.66 0.86 0.00 -1.26 -4.94 118.16 103.20 1x59 n LYS 67 Ca -0.07 0.10 -0.16 0.00 0.00 0.00 0.00 58.31 58.18 1x59 n LYS 67 Cb 0.12 -3.21 -0.15 0.00 0.00 0.00 0.00 35.03 31.79 1x59 n LYS 67 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.40 175.86 1x59 s SER 68 N -4.04 0.71 0.00 3.14 1.04 -1.26 -5.09 113.70 108.20 1x59 s SER 68 Ca 0.20 0.35 0.00 0.00 0.48 0.00 0.00 55.95 56.99 1x59 s SER 68 Cb -0.11 0.38 0.00 0.00 0.10 0.00 0.00 66.02 66.39 1x59 s SER 68 CO 0.98 -0.25 0.00 0.61 0.98 0.00 0.00 173.24 175.56 1x59 n GLY 69 N 5.33 -0.72 3.70 7.32 0.00 -1.26 -4.99 105.19 114.57 1x59 n GLY 69 Ca -0.05 -1.94 -0.36 0.00 0.00 0.00 0.00 46.02 43.67 1x59 n GLY 69 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1x59 n PRO 70 N 0.00 0.79 -3.96 1.61 -0.04 -1.26 -5.05 135.00 127.09 1x59 n PRO 70 Ca 0.00 0.33 -0.17 0.00 -0.04 0.00 0.00 63.50 63.62 1x59 n PRO 70 Cb 0.00 -2.46 -0.16 0.00 -0.04 0.00 0.00 33.50 30.84 1x59 n PRO 70 CO 0.00 0.00 0.00 -1.12 -0.04 0.00 0.00 175.50 174.34 1x59 s SER 71 N -1.60 0.43 0.76 3.54 0.01 -1.26 -5.08 113.70 110.50 1x59 s SER 71 Ca 0.79 -0.04 -0.06 0.00 1.31 0.00 0.00 55.95 57.96 1x59 s SER 71 Cb -0.35 -0.21 0.12 0.00 0.21 0.00 0.00 66.02 65.78 1x59 s SER 71 CO 0.44 -0.08 1.06 -0.94 0.41 0.00 0.00 173.24 174.13 1x59 s SER 72 N 0.87 4.26 0.00 2.44 1.04 -1.26 -5.24 113.70 115.81 1x59 s SER 72 Ca -0.09 0.04 0.00 0.00 0.48 0.00 0.00 55.95 56.38 1x59 s SER 72 Cb -0.12 -0.46 0.00 0.00 0.10 0.00 0.00 66.02 65.54 1x59 s SER 72 CO -0.01 -1.94 0.00 0.61 0.98 0.00 0.00 173.24 172.88