#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x4t n SER 2 N 0.00 6.48 -4.03 1.61 2.88 -1.26 -4.79 113.62 114.52 1x4t n SER 2 Ca 0.00 -3.10 -0.31 0.00 -1.33 0.00 0.00 58.87 54.13 1x4t n SER 2 Cb 0.00 -1.10 -0.15 0.00 -0.75 0.00 0.00 64.21 62.21 1x4t n SER 2 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 1x4t s SER 3 N 0.20 4.67 0.00 -3.46 0.15 -1.26 -4.86 113.70 109.14 1x4t s SER 3 Ca 0.38 -1.96 0.00 0.00 0.70 0.00 0.00 55.95 55.07 1x4t s SER 3 Cb 0.28 -1.60 0.00 0.00 -1.71 0.00 0.00 66.02 62.99 1x4t s SER 3 CO -0.05 -0.33 0.00 0.61 1.20 0.00 0.00 173.24 174.67 1x4t n GLY 4 N 4.31 0.77 3.53 9.45 0.00 -1.26 -4.98 105.19 117.01 1x4t n GLY 4 Ca -0.01 -0.64 -0.45 0.00 0.00 0.00 0.00 46.02 44.93 1x4t n GLY 4 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1x4t n SER 5 N 0.00 2.54 -4.11 1.61 2.88 -1.26 -2.41 113.62 112.86 1x4t n SER 5 Ca 0.00 0.15 -0.37 0.00 -1.33 0.00 0.00 58.87 57.33 1x4t n SER 5 Cb 0.00 -1.42 -0.07 0.00 -0.75 0.00 0.00 64.21 61.97 1x4t n SER 5 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 1x4t n SER 6 N 11.73 -1.48 0.00 -3.46 3.41 -1.26 -3.17 113.62 119.38 1x4t n SER 6 Ca 0.37 -1.07 0.00 0.00 -0.26 0.00 0.00 58.87 57.91 1x4t n SER 6 Cb 0.37 -1.37 0.00 0.00 -0.26 0.00 0.00 64.21 62.94 1x4t n SER 6 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1x4t n GLY 7 N -1.03 1.00 3.63 5.00 0.00 -1.01 -4.91 105.19 107.87 1x4t n GLY 7 Ca 0.09 -0.65 -0.42 0.00 0.00 0.00 0.00 46.02 45.03 1x4t n GLY 7 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1x4t s LYS 8 N 0.00 4.05 -0.16 1.61 -0.14 -1.19 -4.74 119.74 119.16 1x4t s LYS 8 Ca 0.00 0.83 -0.02 0.00 -1.36 0.00 0.00 55.97 55.42 1x4t s LYS 8 Cb 0.00 -3.71 0.00 0.00 -1.68 0.00 0.00 37.83 32.44 1x4t s LYS 8 CO 0.00 -0.71 2.53 1.55 -0.76 0.00 0.00 175.35 177.96 1x4t n VAL 9 N 5.57 2.67 -3.75 3.17 3.14 -1.26 -4.78 118.33 123.09 1x4t n VAL 9 Ca 0.07 -1.46 -0.36 0.00 -2.96 0.00 0.00 64.34 59.62 1x4t n VAL 9 Cb 0.48 -1.60 -0.11 0.00 -1.06 0.00 0.00 33.84 31.55 1x4t n VAL 9 CO 0.00 0.00 0.00 -0.75 -6.46 0.00 0.00 176.83 169.62 1x4t s LYS 10 N -0.52 3.90 0.40 1.45 2.20 -1.26 -5.03 119.74 120.88 1x4t s LYS 10 Ca 0.34 -0.36 0.04 0.00 -0.36 0.00 0.00 55.97 55.63 1x4t s LYS 10 Cb 0.21 -3.44 -0.03 0.00 -1.51 0.00 0.00 37.83 33.06 1x4t s LYS 10 CO -0.04 -0.03 0.11 -1.83 -0.36 0.00 0.00 175.35 173.20 1x4t s GLU 11 N 1.26 1.91 -0.07 4.03 -1.05 -1.26 -5.14 118.70 118.37 1x4t s GLU 11 Ca 0.06 -2.16 -0.15 0.00 -0.15 0.00 0.00 54.97 52.57 1x4t s GLU 11 Cb -0.14 -0.71 -0.05 0.00 -0.44 0.00 0.00 34.13 32.78 1x4t s GLU 11 CO 0.05 -0.43 0.40 0.50 0.95 0.00 0.00 175.26 176.73 1x4t s ARG 12 N -3.75 4.11 0.37 -4.83 3.00 -1.26 -5.05 118.95 111.53 1x4t s ARG 12 Ca 0.24 0.34 -0.27 0.00 -1.00 0.00 0.00 55.73 55.04 1x4t s ARG 12 Cb 0.03 -3.33 -0.10 0.00 0.00 0.00 0.00 34.95 31.56 1x4t s ARG 12 CO 0.14 0.44 1.33 0.50 0.00 0.00 0.00 175.30 177.70 1x4t s ARG 13 N -0.23 4.14 0.00 5.12 3.52 -1.26 -5.03 118.95 125.21 1x4t s ARG 13 Ca 0.23 2.23 0.00 0.00 -0.13 0.00 0.00 55.73 58.06 1x4t s ARG 13 Cb -0.15 -2.91 0.00 0.00 -1.56 0.00 0.00 34.95 30.33 1x4t s ARG 13 CO 0.10 -0.38 0.00 -0.35 -0.81 0.00 0.00 175.30 173.87 1x4t n PRO 14 N 0.43 0.23 0.00 5.12 -0.04 -1.26 -5.05 135.00 134.43 1x4t n PRO 14 Ca 0.02 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.48 1x4t n PRO 14 Cb 0.42 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.88 1x4t n PRO 14 CO 0.00 0.00 0.00 0.34 -0.04 0.00 0.00 175.50 175.80 1x4t n PHE 15 N -1.27 0.00 -3.40 0.54 7.35 -1.26 -5.00 117.46 114.42 1x4t n PHE 15 Ca 0.00 0.00 -0.44 0.00 -0.76 0.00 0.00 57.45 56.25 1x4t n PHE 15 Cb 0.00 0.00 -0.07 0.00 0.35 0.00 0.00 39.48 39.76 1x4t n PHE 15 CO 0.00 0.00 0.00 -0.51 -0.76 0.00 0.00 176.76 175.49 1x4t s LEU 16 N -3.02 5.79 0.58 -2.13 1.43 -1.26 -4.92 118.68 115.14 1x4t s LEU 16 Ca 0.00 -1.57 0.31 0.00 -1.03 0.00 0.00 54.13 51.84 1x4t s LEU 16 Cb 0.00 -2.16 1.42 0.00 0.03 0.00 0.00 46.19 45.48 1x4t s LEU 16 CO 0.00 -0.72 1.78 0.00 0.23 0.00 0.00 176.35 177.65 1x4t h ALA 17 N 8.74 2.60 -0.07 4.21 0.00 -1.94 0.69 119.26 133.48 1x4t h ALA 17 Ca -0.28 -0.03 -0.10 0.00 0.00 0.00 0.00 54.91 54.50 1x4t h ALA 17 Cb 1.10 0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.93 1x4t h ALA 17 CO 0.92 -1.10 -0.43 0.77 0.00 0.00 0.00 179.25 179.41 1x4t h SER 18 N 0.00 0.17 -0.07 0.00 0.02 -1.94 -2.92 113.55 108.82 1x4t h SER 18 Ca 0.36 -0.07 -0.11 0.00 -0.84 0.00 0.00 61.79 61.13 1x4t h SER 18 Cb 1.76 -0.05 -0.01 0.00 0.14 0.00 0.00 62.40 64.25 1x4t h SER 18 CO -0.00 0.59 -0.32 -0.33 -1.14 0.00 0.00 176.83 175.62 1x4t h GLU 19 N 0.13 0.54 -5.92 3.45 4.39 -0.01 -3.38 114.58 113.78 1x4t h GLU 19 Ca 0.01 -0.24 -0.46 0.00 0.34 0.00 0.00 59.36 59.01 1x4t h GLU 19 Cb 0.82 -0.01 -0.08 0.00 -0.10 0.00 0.00 28.75 29.38 1x4t h GLU 19 CO 0.06 0.80 1.14 0.00 -1.16 0.00 0.00 179.01 179.86 1x4t n THR 21 N 7.35 2.38 -3.97 0.00 -2.24 -1.26 -4.80 114.28 111.73 1x4t n THR 21 Ca 0.36 -1.24 -0.29 0.00 -2.27 0.00 0.00 64.05 60.61 1x4t n THR 21 Cb 0.49 -1.05 -0.16 0.00 -2.10 0.00 0.00 70.33 67.50 1x4t n THR 21 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 1x4t s GLU 22 N -1.62 1.97 0.09 -0.78 0.41 -1.26 -5.03 118.70 112.48 1x4t s GLU 22 Ca 0.28 -0.52 -0.25 0.00 -0.41 0.00 0.00 54.97 54.07 1x4t s GLU 22 Cb 0.23 -2.02 -0.15 0.00 -1.78 0.00 0.00 34.13 30.41 1x4t s GLU 22 CO 0.02 -0.30 1.72 1.25 -0.49 0.00 0.00 175.26 177.46 1x4t h LEU 23 N 8.08 -0.17 0.00 1.80 5.85 -1.92 -1.81 115.31 127.14 1x4t h LEU 23 Ca -0.33 0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.40 1x4t h LEU 23 Cb 1.13 0.05 0.00 0.00 0.37 0.00 0.00 40.66 42.20 1x4t h LEU 23 CO 0.48 -0.11 0.00 -0.81 -0.34 0.00 0.00 178.44 177.65 1x4t n PRO 24 N -5.17 0.14 0.02 5.25 -0.04 -1.26 -2.63 135.00 131.31 1x4t n PRO 24 Ca -0.08 0.18 -0.19 0.00 -0.04 0.00 0.00 63.50 63.38 1x4t n PRO 24 Cb 0.10 -1.50 -0.14 0.00 -0.04 0.00 0.00 33.50 31.92 1x4t n PRO 24 CO 0.00 0.00 0.00 0.87 -0.04 0.00 0.00 175.50 176.33 1x4t h LYS 25 N 0.00 0.25 -0.31 0.54 1.79 -1.76 -3.33 116.57 113.75 1x4t h LYS 25 Ca 0.00 -0.42 -0.18 0.00 -2.18 0.00 0.00 60.65 57.87 1x4t h LYS 25 Cb 0.18 0.16 -0.00 0.00 -1.58 0.00 0.00 32.23 30.98 1x4t h LYS 25 CO 0.00 1.10 -0.49 0.00 -1.08 0.00 0.00 179.45 178.98 1x4t h ALA 26 N 0.30 0.52 0.00 3.86 0.00 -1.19 -2.45 119.26 120.30 1x4t h ALA 26 Ca -0.36 -0.50 0.00 0.00 0.00 0.00 0.00 54.91 54.06 1x4t h ALA 26 Cb 2.04 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 19.74 1x4t h ALA 26 CO 0.12 0.68 0.00 0.93 0.00 0.00 0.00 179.25 180.98 1x4t h GLU 27 N 0.69 0.00 0.13 0.00 5.08 -1.70 0.44 114.58 119.22 1x4t h GLU 27 Ca 0.03 0.00 -0.36 0.00 -1.00 0.00 0.00 59.36 58.03 1x4t h GLU 27 Cb 1.09 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.33 1x4t h GLU 27 CO 0.11 0.00 -1.92 -0.22 -1.00 0.00 0.00 179.01 175.98 1x4t h LYS 28 N 0.00 0.27 0.00 2.33 3.64 -1.61 -3.28 116.57 117.92 1x4t h LYS 28 Ca 0.00 -0.46 0.00 0.00 -1.27 0.00 0.00 60.65 58.92 1x4t h LYS 28 Cb 0.16 0.17 0.00 0.00 -0.41 0.00 0.00 32.23 32.15 1x4t h LYS 28 CO 0.00 1.17 -0.30 0.91 -2.27 0.00 0.00 179.45 178.96 1x4t n TRP 29 N -3.46 0.35 0.03 1.91 7.02 -0.91 -3.49 117.44 118.89 1x4t n TRP 29 Ca -0.29 0.10 -0.20 0.00 -1.02 0.00 0.00 57.50 56.10 1x4t n TRP 29 Cb 1.05 -0.57 -0.14 0.00 -2.42 0.00 0.00 31.31 29.23 1x4t n TRP 29 CO 0.00 0.00 0.00 -0.09 -2.02 0.00 0.00 177.69 175.58 1x4t h ARG 30 N 0.00 0.26 -0.05 -0.99 2.43 -0.27 -3.22 114.38 112.55 1x4t h ARG 30 Ca 0.00 -0.45 -0.07 0.00 -0.81 0.00 0.00 59.98 58.65 1x4t h ARG 30 Cb 0.62 0.17 -0.01 0.00 -0.42 0.00 0.00 29.97 30.32 1x4t h ARG 30 CO 0.00 1.22 -0.30 0.07 -1.51 0.00 0.00 179.97 179.44 1x4t h ARG 31 N -0.43 0.09 -0.63 0.20 0.11 -1.67 -2.79 114.38 109.25 1x4t h ARG 31 Ca -0.15 -0.03 -0.07 0.00 0.10 0.00 0.00 59.98 59.84 1x4t h ARG 31 Cb 1.59 -0.01 -0.03 0.00 1.11 0.00 0.00 29.97 32.64 1x4t h ARG 31 CO 0.13 0.38 0.13 0.37 0.10 0.00 0.00 179.97 181.08 1x4t h GLN 32 N 0.08 1.02 -0.43 0.08 5.75 -1.65 -2.65 115.11 117.31 1x4t h GLN 32 Ca 0.01 -0.26 -0.04 0.00 -0.15 0.00 0.00 58.65 58.21 1x4t h GLN 32 Cb 0.58 -0.13 -0.02 0.00 1.07 0.00 0.00 27.48 28.98 1x4t h GLN 32 CO 0.04 0.94 0.11 0.82 -2.65 0.00 0.00 178.83 178.09 1x4t h ILE 33 N 0.94 1.23 -0.75 2.39 2.04 -1.50 -2.86 117.51 119.00 1x4t h ILE 33 Ca 0.19 -0.79 0.07 0.00 1.00 0.00 0.00 64.86 65.33 1x4t h ILE 33 Cb 0.39 0.93 -0.06 0.00 -0.74 0.00 0.00 36.82 37.35 1x4t h ILE 33 CO 0.01 0.28 0.43 0.40 0.00 0.00 0.00 178.15 179.27 1x4t h ILE 34 N 0.55 0.97 -0.91 -0.67 2.04 -1.38 -1.67 117.51 116.45 1x4t h ILE 34 Ca 0.13 -0.27 -0.00 0.00 1.00 0.00 0.00 64.86 65.73 1x4t h ILE 34 Cb 0.31 0.13 -0.04 0.00 -0.74 0.00 0.00 36.82 36.48 1x4t h ILE 34 CO 0.00 0.14 0.57 1.23 0.00 0.00 0.00 178.15 180.09 1x4t h GLY 35 N 0.78 1.30 0.90 5.37 0.00 -1.30 -2.39 103.07 107.73 1x4t h GLY 35 Ca 0.34 -0.52 -0.06 0.00 0.00 0.00 0.00 47.33 47.09 1x4t h GLY 35 CO -0.19 0.51 -0.02 0.83 0.00 0.00 0.00 176.54 177.67 1x4t h GLU 36 N 1.25 0.58 -0.40 4.80 5.08 -1.14 -2.41 114.58 122.34 1x4t h GLU 36 Ca 0.33 -0.19 0.06 0.00 -1.00 0.00 0.00 59.36 58.55 1x4t h GLU 36 Cb -0.08 -0.05 -0.05 0.00 0.50 0.00 0.00 28.75 29.07 1x4t h GLU 36 CO -0.06 0.73 0.10 0.82 -1.00 0.00 0.00 179.01 179.59 1x4t h ILE 37 N 0.37 0.82 0.67 3.13 2.04 -1.04 -2.19 117.51 121.32 1x4t h ILE 37 Ca 0.09 -0.08 -0.03 0.00 1.00 0.00 0.00 64.86 65.84 1x4t h ILE 37 Cb 0.48 0.57 0.01 0.00 -0.74 0.00 0.00 36.82 37.13 1x4t h ILE 37 CO 0.02 0.04 -0.33 -1.28 0.00 0.00 0.00 178.15 176.61 1x4t h SER 38 N 0.24 -0.78 -1.11 1.72 0.87 -1.39 0.43 113.55 113.53 1x4t h SER 38 Ca 0.19 0.03 0.34 0.00 -1.23 0.00 0.00 61.79 61.12 1x4t h SER 38 Cb 0.21 0.20 -0.13 0.00 -0.44 0.00 0.00 62.40 62.25 1x4t h SER 38 CO -0.23 -0.55 0.69 0.11 -0.53 0.00 0.00 176.83 176.31 1x4t h LYS 39 N -0.91 0.27 0.16 2.24 1.57 -1.23 0.43 116.57 119.11 1x4t h LYS 39 Ca -0.09 -0.02 -0.31 0.00 -1.87 0.00 0.00 60.65 58.36 1x4t h LYS 39 Cb 0.70 -0.06 0.01 0.00 0.08 0.00 0.00 32.23 32.96 1x4t h LYS 39 CO 0.15 0.18 -1.46 0.87 -0.57 0.00 0.00 179.45 178.62 1x4t h LYS 40 N 0.28 0.35 -0.90 3.15 1.57 -0.97 -3.30 116.57 116.74 1x4t h LYS 40 Ca 0.72 -0.59 0.03 0.00 -1.87 0.00 0.00 60.65 58.94 1x4t h LYS 40 Cb 1.89 0.22 -0.05 0.00 0.08 0.00 0.00 32.23 34.37 1x4t h LYS 40 CO -0.46 1.25 0.58 0.28 -0.57 0.00 0.00 179.45 180.54 1x4t h VAL 41 N 0.09 1.15 -0.51 0.50 2.07 0.42 -2.34 116.25 117.64 1x4t h VAL 41 Ca -0.22 -0.39 0.01 0.00 0.82 0.00 0.00 66.70 66.91 1x4t h VAL 41 Cb 2.05 -0.08 -0.03 0.00 -1.52 0.00 0.00 31.29 31.71 1x4t h VAL 41 CO 0.21 0.21 0.33 0.00 0.02 0.00 0.00 177.57 178.34 1x4t h ALA 42 N 1.37 0.65 -0.01 1.67 0.00 -1.06 0.58 119.26 122.47 1x4t h ALA 42 Ca 0.36 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 55.23 1x4t h ALA 42 Cb 0.00 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 17.59 1x4t h ALA 42 CO -0.12 0.08 -0.05 1.96 0.00 0.00 0.00 179.25 181.12 1x4t h GLN 43 N 0.68 0.01 0.11 0.00 4.20 -1.51 -2.09 115.11 116.50 1x4t h GLN 43 Ca 0.19 -0.00 -0.16 0.00 0.06 0.00 0.00 58.65 58.74 1x4t h GLN 43 Cb -0.06 -0.00 0.02 0.00 0.30 0.00 0.00 27.48 27.74 1x4t h GLN 43 CO -0.05 0.07 -0.70 0.82 -0.67 0.00 0.00 178.83 178.30 1x4t h ILE 44 N 0.01 1.53 -0.52 2.54 1.08 -0.90 -3.25 117.51 118.01 1x4t h ILE 44 Ca 0.00 -2.45 0.08 0.00 -0.39 0.00 0.00 64.86 62.10 1x4t h ILE 44 Cb 0.10 3.14 -0.03 0.00 -3.07 0.00 0.00 36.82 36.96 1x4t h ILE 44 CO 0.01 0.69 0.35 1.56 -0.69 0.00 0.00 178.15 180.06 1x4t h GLN 45 N -0.40 0.37 -0.50 2.37 1.08 -0.59 -1.11 115.11 116.33 1x4t h GLN 45 Ca -0.12 -0.02 -0.10 0.00 -1.45 0.00 0.00 58.65 56.96 1x4t h GLN 45 Cb 1.53 -0.08 -0.02 0.00 -0.05 0.00 0.00 27.48 28.86 1x4t h GLN 45 CO 0.13 0.24 -0.08 -0.91 -0.95 0.00 0.00 178.83 177.26 1x4t h ASN 46 N 0.38 0.89 -6.35 1.46 2.35 -1.46 -3.47 115.58 109.38 1x4t h ASN 46 Ca 0.23 -0.27 -0.48 0.00 -0.55 0.00 0.00 56.30 55.23 1x4t h ASN 46 Cb 0.42 -0.24 -0.05 0.00 0.05 0.00 0.00 38.32 38.50 1x4t h ASN 46 CO -0.06 1.00 -0.79 0.00 -1.65 0.00 0.00 177.43 175.93 1x4t n ALA 47 N -2.49 -1.48 -2.68 -0.83 0.00 -0.42 -4.87 120.51 107.74 1x4t n ALA 47 Ca 0.02 0.06 0.02 0.00 0.00 0.00 0.00 53.44 53.53 1x4t n ALA 47 Cb 0.37 -3.62 0.04 0.00 0.00 0.00 0.00 19.45 16.23 1x4t n ALA 47 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1x4t n GLY 48 N -1.66 1.44 0.00 0.00 0.00 -1.26 -4.81 105.19 98.90 1x4t n GLY 48 Ca -0.05 -0.95 0.00 0.00 0.00 0.00 0.00 46.02 45.03 1x4t n GLY 48 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1x4t n LEU 49 N -0.13 0.03 0.00 0.99 4.77 -1.26 -5.12 117.00 116.28 1x4t n LEU 49 Ca 0.06 -0.31 0.00 0.00 -0.03 0.00 0.00 56.01 55.72 1x4t n LEU 49 Cb 0.95 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 42.04 1x4t n LEU 49 CO 0.02 0.01 0.00 0.61 -1.33 0.00 0.00 177.39 176.70 1x4t n GLY 50 N 1.55 2.45 0.21 -0.72 0.00 -1.26 -4.56 105.19 102.86 1x4t n GLY 50 Ca 0.00 -1.55 -0.06 0.00 0.00 0.00 0.00 46.02 44.42 1x4t n GLY 50 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1x4t h GLU 51 N 0.00 -0.02 -0.74 1.61 4.39 -1.98 0.50 114.58 118.35 1x4t h GLU 51 Ca 0.00 0.00 0.31 0.00 0.34 0.00 0.00 59.36 60.01 1x4t h GLU 51 Cb 0.00 0.00 -0.13 0.00 -0.10 0.00 0.00 28.75 28.52 1x4t h GLU 51 CO 0.00 -0.01 0.40 1.19 -1.16 0.00 0.00 179.01 179.43 1x4t n PHE 52 N -4.09 0.86 0.00 4.33 3.01 -1.26 0.37 117.46 120.68 1x4t n PHE 52 Ca 0.01 0.87 -0.08 0.00 1.01 0.00 0.00 57.45 59.26 1x4t n PHE 52 Cb 0.13 -1.30 -0.06 0.00 -0.01 0.00 0.00 39.48 38.24 1x4t n PHE 52 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1x4t h ARG 53 N 0.00 -0.12 -1.01 -1.08 2.47 -0.33 -3.03 114.38 111.28 1x4t h ARG 53 Ca 0.63 0.01 0.25 0.00 -1.26 0.00 0.00 59.98 59.61 1x4t h ARG 53 Cb 1.66 0.03 -0.12 0.00 -1.65 0.00 0.00 29.97 29.89 1x4t h ARG 53 CO -0.57 0.28 0.61 0.82 0.56 0.00 0.00 179.97 181.67 1x4t h ILE 54 N -0.97 0.52 0.09 2.04 5.03 0.18 -0.09 117.51 124.32 1x4t h ILE 54 Ca -0.01 -0.19 -0.00 0.00 -0.12 0.00 0.00 64.86 64.54 1x4t h ILE 54 Cb 0.46 -0.07 0.00 0.00 -3.03 0.00 0.00 36.82 34.18 1x4t h ILE 54 CO 0.02 0.10 -0.04 0.03 -0.68 0.00 0.00 178.15 177.58 1x4t h ARG 55 N 0.54 -0.12 -0.82 2.37 2.47 -0.71 -0.83 114.38 117.29 1x4t h ARG 55 Ca 0.64 0.01 0.07 0.00 -1.26 0.00 0.00 59.98 59.44 1x4t h ARG 55 Cb 1.29 0.03 -0.06 0.00 -1.65 0.00 0.00 29.97 29.58 1x4t h ARG 55 CO -0.46 0.10 0.49 0.22 0.56 0.00 0.00 179.97 180.88 1x4t h ASP 56 N -0.32 0.75 0.65 7.04 3.58 -0.95 -0.64 116.42 126.53 1x4t h ASP 56 Ca -0.01 0.03 -0.03 0.00 0.42 0.00 0.00 57.03 57.43 1x4t h ASP 56 Cb 0.27 -0.13 0.01 0.00 1.72 0.00 0.00 39.33 41.20 1x4t h ASP 56 CO 0.02 0.47 -0.31 -0.07 -2.88 0.00 0.00 179.24 176.47 1x4t h LEU 57 N 0.88 -0.74 -0.95 2.28 3.38 -1.01 -2.71 115.31 116.44 1x4t h LEU 57 Ca 0.37 0.03 0.24 0.00 0.09 0.00 0.00 57.88 58.60 1x4t h LEU 57 Cb 0.21 0.19 -0.13 0.00 0.09 0.00 0.00 40.66 41.03 1x4t h LEU 57 CO -0.19 -0.45 0.50 0.78 0.09 0.00 0.00 178.44 179.17 1x4t h ASN 58 N -1.03 0.49 -0.79 -0.43 2.35 -1.04 0.32 115.58 115.45 1x4t h ASN 58 Ca -0.09 0.15 0.07 0.00 -0.55 0.00 0.00 56.30 55.88 1x4t h ASN 58 Cb 0.67 0.09 -0.06 0.00 0.05 0.00 0.00 38.32 39.07 1x4t h ASN 58 CO 0.15 0.03 0.47 -0.78 -1.65 0.00 0.00 177.43 175.64 1x4t h ASP 59 N 0.47 0.72 -0.02 5.81 3.58 -1.04 -2.80 116.42 123.13 1x4t h ASP 59 Ca 0.62 0.03 -0.07 0.00 0.42 0.00 0.00 57.03 58.02 1x4t h ASP 59 Cb 1.20 -0.12 0.00 0.00 1.72 0.00 0.00 39.33 42.13 1x4t h ASP 59 CO -0.52 0.45 -0.26 -0.33 -2.88 0.00 0.00 179.24 175.71 1x4t h GLU 60 N 0.85 0.22 -0.73 0.28 4.39 -0.18 -3.25 114.58 116.16 1x4t h GLU 60 Ca 0.35 -0.20 0.08 0.00 0.34 0.00 0.00 59.36 59.93 1x4t h GLU 60 Cb 0.20 0.05 -0.09 0.00 -0.10 0.00 0.00 28.75 28.81 1x4t h GLU 60 CO -0.19 0.89 -0.40 -0.89 -1.16 0.00 0.00 179.01 177.26 1x4t n ILE 61 N -4.50 -0.47 0.09 3.13 2.08 0.28 0.28 119.36 120.24 1x4t n ILE 61 Ca -0.09 1.76 -0.12 0.00 0.56 0.00 0.00 62.75 64.86 1x4t n ILE 61 Cb 0.49 -2.21 -0.06 0.00 -0.75 0.00 0.00 39.64 37.11 1x4t n ILE 61 CO 0.00 0.00 0.00 0.78 0.56 0.00 0.00 176.55 177.89 1x4t h ASN 62 N 0.00 -0.40 -0.94 4.38 2.35 -1.65 0.96 115.58 120.28 1x4t h ASN 62 Ca 0.15 0.05 0.20 0.00 -0.55 0.00 0.00 56.30 56.14 1x4t h ASN 62 Cb 0.33 0.16 -0.08 0.00 0.05 0.00 0.00 38.32 38.78 1x4t h ASN 62 CO -0.70 -0.21 0.60 0.11 -1.65 0.00 0.00 177.43 175.58 1x4t h LYS 63 N -0.28 0.52 -0.04 0.81 1.79 -0.20 0.18 116.57 119.34 1x4t h LYS 63 Ca 0.02 -0.03 -0.25 0.00 -2.18 0.00 0.00 60.65 58.21 1x4t h LYS 63 Cb 0.31 -0.12 0.02 0.00 -1.58 0.00 0.00 32.23 30.85 1x4t h LYS 63 CO -0.09 0.35 -0.96 -0.07 -1.08 0.00 0.00 179.45 177.60 1x4t h LEU 64 N 0.54 0.86 0.25 2.94 3.38 0.45 -3.26 115.31 120.47 1x4t h LEU 64 Ca 0.50 -0.65 -0.01 0.00 0.09 0.00 0.00 57.88 57.81 1x4t h LEU 64 Cb 1.06 -0.26 0.00 0.00 0.09 0.00 0.00 40.66 41.55 1x4t h LEU 64 CO -0.24 1.45 -0.12 0.25 0.09 0.00 0.00 178.44 179.87 1x4t h LEU 65 N 0.41 -0.29 -0.93 1.67 5.85 0.11 -3.08 115.31 119.06 1x4t h LEU 65 Ca -0.10 -0.15 0.25 0.00 0.84 0.00 0.00 57.88 58.72 1x4t h LEU 65 Cb 1.60 0.07 -0.16 0.00 0.37 0.00 0.00 40.66 42.54 1x4t h LEU 65 CO 0.19 -0.00 0.10 0.03 -0.34 0.00 0.00 178.44 178.42 1x4t h ARG 66 N -0.59 0.07 -0.92 1.25 3.08 -0.85 0.96 114.38 117.38 1x4t h ARG 66 Ca -0.03 -0.00 0.13 0.00 0.07 0.00 0.00 59.98 60.14 1x4t h ARG 66 Cb 0.43 -0.02 -0.07 0.00 0.08 0.00 0.00 29.97 30.39 1x4t h ARG 66 CO 0.06 0.05 0.59 1.49 -1.07 0.00 0.00 179.97 181.08 1x4t h GLU 67 N 0.07 0.77 0.06 0.04 4.57 -1.58 -2.06 114.58 116.46 1x4t h GLU 67 Ca 0.57 -0.05 -0.00 0.00 -1.18 0.00 0.00 59.36 58.70 1x4t h GLU 67 Cb 1.18 -0.17 0.00 0.00 -0.16 0.00 0.00 28.75 29.60 1x4t h GLU 67 CO -0.81 0.51 -0.03 -0.22 -1.18 0.00 0.00 179.01 177.28 1x4t h LYS 68 N 0.79 -0.08 -1.01 1.92 3.64 0.93 -1.84 116.57 120.93 1x4t h LYS 68 Ca 0.46 0.01 0.29 0.00 -1.27 0.00 0.00 60.65 60.14 1x4t h LYS 68 Cb 0.63 0.02 -0.04 0.00 -0.41 0.00 0.00 32.23 32.42 1x4t h LYS 68 CO -0.22 0.18 0.99 0.78 -2.27 0.00 0.00 179.45 178.90 1x4t h GLY 69 N -0.33 0.00 0.33 5.01 0.00 -0.92 0.26 103.07 107.42 1x4t h GLY 69 Ca -0.01 0.00 -0.34 0.00 0.00 0.00 0.00 47.33 46.99 1x4t h GLY 69 CO 0.01 0.00 -1.87 1.42 0.00 0.00 0.00 176.54 176.10 1x4t n HIS 70 N -3.58 0.98 0.03 5.60 8.25 -1.05 -4.03 115.22 121.43 1x4t n HIS 70 Ca 0.22 0.27 -0.01 0.00 -0.26 0.00 0.00 57.72 57.94 1x4t n HIS 70 Cb 1.31 -1.12 -0.01 0.00 1.12 0.00 0.00 29.99 31.29 1x4t n HIS 70 CO 0.00 0.00 0.00 -1.49 0.64 0.00 0.00 176.34 175.49 1x4t h TRP 71 N -0.32 -0.08 -1.99 4.41 4.06 0.25 0.42 115.95 122.70 1x4t h TRP 71 Ca -0.44 -0.00 0.58 0.00 2.06 0.00 0.00 58.89 61.09 1x4t h TRP 71 Cb 1.78 0.03 -0.08 0.00 -1.00 0.00 0.00 29.16 29.89 1x4t h TRP 71 CO 0.07 -0.05 1.43 0.39 -3.56 0.00 0.00 178.44 176.72 1x4t n GLU 72 N -2.27 -0.00 0.04 0.49 1.02 0.07 0.20 120.64 120.19 1x4t n GLU 72 Ca -0.01 1.08 -0.19 0.00 -0.02 0.00 0.00 57.16 58.02 1x4t n GLU 72 Cb 0.03 -2.51 -0.14 0.00 -0.02 0.00 0.00 31.44 28.80 1x4t n GLU 72 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59 1x4t h VAL 73 N 0.00 0.93 0.00 2.62 2.07 -1.66 -3.21 116.25 116.99 1x4t h VAL 73 Ca 0.94 -2.59 0.00 0.00 0.82 0.00 0.00 66.70 65.88 1x4t h VAL 73 Cb 3.80 2.67 0.00 0.00 -1.52 0.00 0.00 31.29 36.24 1x4t h VAL 73 CO -0.01 0.82 0.00 -0.09 0.02 0.00 0.00 177.57 178.31 1x4t h ARG 74 N 0.08 0.00 0.00 1.57 9.65 0.69 -1.69 114.38 124.68 1x4t h ARG 74 Ca -0.32 0.00 -0.06 0.00 -1.10 0.00 0.00 59.98 58.49 1x4t h ARG 74 Cb 2.05 0.00 -0.01 0.00 -1.39 0.00 0.00 29.97 30.62 1x4t h ARG 74 CO 0.14 0.00 -0.30 0.82 2.80 0.00 0.00 179.97 183.43 1x4t h ILE 75 N 0.00 0.52 0.10 1.20 2.04 -1.13 -3.10 117.51 117.15 1x4t h ILE 75 Ca 0.00 -1.73 -0.34 0.00 1.00 0.00 0.00 64.86 63.79 1x4t h ILE 75 Cb 0.31 2.25 -0.02 0.00 -0.74 0.00 0.00 36.82 38.62 1x4t h ILE 75 CO 0.00 0.29 -1.85 1.17 0.00 0.00 0.00 178.15 177.76 1x4t n LYS 76 N -3.18 0.72 0.25 2.37 4.81 -0.70 0.18 118.16 122.61 1x4t n LYS 76 Ca 0.03 0.33 0.17 0.00 -0.87 0.00 0.00 58.31 57.96 1x4t n LYS 76 Cb 0.65 -1.72 0.80 0.00 0.02 0.00 0.00 35.03 34.79 1x4t n LYS 76 CO 0.00 0.00 0.00 0.93 1.17 0.00 0.00 177.40 179.50 1x4t h GLU 77 N -0.15 0.00 0.00 1.64 5.08 -1.48 -1.86 114.58 117.81 1x4t h GLU 77 Ca -0.41 0.00 -0.23 0.00 -1.00 0.00 0.00 59.36 57.72 1x4t h GLU 77 Cb 1.89 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 31.10 1x4t h GLU 77 CO 0.03 0.00 -1.40 -0.07 -1.00 0.00 0.00 179.01 176.56 1x4t h LEU 78 N 0.00 0.00 0.00 1.33 3.38 -1.67 -3.48 115.31 114.87 1x4t h LEU 78 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1x4t h LEU 78 Cb 0.22 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.97 1x4t h LEU 78 CO 0.00 0.85 0.00 0.61 0.09 0.00 0.00 178.44 179.99 1x4t n GLY 79 N 1.45 1.09 0.00 0.83 0.00 -0.70 -4.95 105.19 102.91 1x4t n GLY 79 Ca -0.10 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.92 1x4t n GLY 79 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1x4t n GLY 80 N 0.00 3.20 3.77 -0.02 0.00 0.13 -5.00 105.19 107.27 1x4t n GLY 80 Ca 0.00 -2.04 -0.37 0.00 0.00 0.00 0.00 46.02 43.61 1x4t n GLY 80 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1x4t s PRO 81 N 2.57 3.74 -0.83 1.61 0.04 -1.26 -4.51 135.00 136.37 1x4t s PRO 81 Ca 0.00 1.77 -0.24 0.00 0.04 0.00 0.00 61.00 62.56 1x4t s PRO 81 Cb 0.00 -2.39 0.05 0.00 0.04 0.00 0.00 34.50 32.20 1x4t s PRO 81 CO 0.00 -0.57 1.27 0.34 0.04 0.00 0.00 177.00 178.08 1x4t s ASP 82 N -1.38 6.30 -0.08 6.66 2.15 -1.26 -3.83 116.67 125.23 1x4t s ASP 82 Ca 0.64 -0.98 0.10 0.00 0.43 0.00 0.00 52.55 52.74 1x4t s ASP 82 Cb -0.28 -2.53 -0.24 0.00 -0.30 0.00 0.00 42.92 39.57 1x4t s ASP 82 CO 0.34 -1.61 0.50 -1.22 -0.17 0.00 0.00 175.17 173.02 1x4t n TYR 83 N 8.71 0.88 -0.34 -5.34 4.01 -1.24 -4.20 117.16 119.65 1x4t n TYR 83 Ca 0.13 0.29 0.15 0.00 -0.16 0.00 0.00 57.90 58.30 1x4t n TYR 83 Cb 0.49 -1.15 0.36 0.00 -0.31 0.00 0.00 39.34 38.73 1x4t n TYR 83 CO 0.00 0.00 0.00 0.78 -0.46 0.00 0.00 176.86 177.18 1x4t h GLY 84 N 3.11 1.65 -0.83 2.72 0.00 -1.86 -2.51 103.07 105.35 1x4t h GLY 84 Ca -0.35 -0.33 0.08 0.00 0.00 0.00 0.00 47.33 46.72 1x4t h GLY 84 CO 0.07 -0.07 -0.53 1.70 0.00 0.00 0.00 176.54 177.71 1x4t h LYS 85 N 0.69 -0.05 -5.62 4.80 3.11 -1.93 -3.38 116.57 114.18 1x4t h LYS 85 Ca 0.57 0.00 -0.65 0.00 -2.81 0.00 0.00 60.65 57.76 1x4t h LYS 85 Cb 0.99 0.01 -0.15 0.00 -1.00 0.00 0.00 32.23 32.09 1x4t h LYS 85 CO -0.36 -0.03 -0.59 0.54 -2.81 0.00 0.00 179.45 176.20 1x4t s VAL 86 N -5.29 4.61 -0.41 2.00 0.11 -0.95 -5.02 120.40 115.45 1x4t s VAL 86 Ca -0.11 -0.12 0.06 0.00 -2.93 0.00 0.00 61.98 58.88 1x4t s VAL 86 Cb 0.10 -3.00 0.43 0.00 -1.53 0.00 0.00 36.38 32.37 1x4t s VAL 86 CO 0.56 0.55 1.11 -1.54 -3.33 0.00 0.00 175.10 172.45 1x4t n SER 87 N 2.72 4.50 0.00 3.54 3.41 -1.26 -4.90 113.62 121.63 1x4t n SER 87 Ca -0.18 -3.64 0.00 0.00 -0.26 0.00 0.00 58.87 54.79 1x4t n SER 87 Cb 0.53 -0.45 0.00 0.00 -0.26 0.00 0.00 64.21 64.03 1x4t n SER 87 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1x4t n GLY 88 N -0.48 1.66 3.57 5.00 0.00 -1.26 -5.06 105.19 108.61 1x4t n GLY 88 Ca 0.37 -0.99 -0.27 0.00 0.00 0.00 0.00 46.02 45.14 1x4t n GLY 88 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1x4t s PRO 89 N -2.00 2.54 -0.95 1.61 0.04 -1.26 -4.90 135.00 130.07 1x4t s PRO 89 Ca 0.00 -0.58 -0.22 0.00 0.04 0.00 0.00 61.00 60.24 1x4t s PRO 89 Cb 0.00 -5.12 0.08 0.00 0.04 0.00 0.00 34.50 29.49 1x4t s PRO 89 CO 0.00 -3.58 1.30 -1.12 0.04 0.00 0.00 177.00 173.64 1x4t s SER 90 N 7.52 6.50 -0.68 6.66 0.01 -1.26 -4.94 113.70 127.51 1x4t s SER 90 Ca 0.69 -1.55 -0.31 0.00 1.31 0.00 0.00 55.95 56.10 1x4t s SER 90 Cb -0.05 -2.50 -0.15 0.00 0.21 0.00 0.00 66.02 63.53 1x4t s SER 90 CO 0.04 -1.38 2.48 -1.20 0.41 0.00 0.00 173.24 173.59 1x4t n SER 91 N 8.08 1.35 0.00 2.44 7.64 -1.26 -5.23 113.62 126.65 1x4t n SER 91 Ca 0.26 0.01 0.00 0.00 1.01 0.00 0.00 58.87 60.14 1x4t n SER 91 Cb 0.50 -1.21 0.00 0.00 -1.01 0.00 0.00 64.21 62.49 1x4t n SER 91 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64