#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x4t s SER 2 N 0.00 -0.37 -0.05 1.61 1.04 -1.26 -5.13 113.70 109.54 1x4t s SER 2 Ca 0.00 -0.06 -0.30 0.00 0.48 0.00 0.00 55.95 56.07 1x4t s SER 2 Cb 0.00 0.43 -0.06 0.00 0.10 0.00 0.00 66.02 66.49 1x4t s SER 2 CO 0.00 -0.71 1.66 -0.55 0.98 0.00 0.00 173.24 174.62 1x4t s SER 3 N -2.58 6.67 -0.39 7.02 0.15 -1.26 -4.91 113.70 118.40 1x4t s SER 3 Ca 0.05 2.24 -0.02 0.00 0.70 0.00 0.00 55.95 58.92 1x4t s SER 3 Cb -0.01 -2.53 0.20 0.00 -1.71 0.00 0.00 66.02 61.96 1x4t s SER 3 CO -0.08 -0.93 0.94 -0.83 1.20 0.00 0.00 173.24 173.55 1x4t s GLY 4 N 3.35 -1.60 0.32 9.45 0.00 -1.26 -5.15 107.32 112.44 1x4t s GLY 4 Ca 0.74 0.50 -0.19 0.00 0.00 0.00 0.00 44.72 45.76 1x4t s GLY 4 CO 0.30 4.09 0.14 -1.26 0.00 0.00 0.00 173.10 176.36 1x4t n SER 5 N 3.18 -2.26 -0.01 1.64 2.88 -1.26 -4.89 113.62 112.91 1x4t n SER 5 Ca 0.11 0.75 0.10 0.00 -1.33 0.00 0.00 58.87 58.50 1x4t n SER 5 Cb 0.62 -0.77 -0.16 0.00 -0.75 0.00 0.00 64.21 63.14 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 1.98 0.33 0.00 -3.46 3.41 -1.26 -5.08 113.62 109.54 1x4t n SER 6 Ca 0.11 -0.08 0.00 0.00 -0.26 0.00 0.00 58.87 58.64 1x4t n SER 6 Cb 0.32 1.87 0.00 0.00 -0.26 0.00 0.00 64.21 66.14 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 1.34 -0.57 2.84 5.00 0.00 -1.26 -5.02 105.19 107.52 1x4t n GLY 7 Ca -0.03 0.15 -0.18 0.00 0.00 0.00 0.00 46.02 45.97 1x4t n GLY 7 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1x4t n LYS 8 N 0.00 -2.98 -3.53 1.61 4.01 -1.26 -4.90 118.16 111.12 1x4t n LYS 8 Ca 0.00 0.61 -0.08 0.00 -0.51 0.00 0.00 58.31 58.33 1x4t n LYS 8 Cb 0.00 -5.29 -0.02 0.00 -0.51 0.00 0.00 35.03 29.21 1x4t n LYS 8 CO 0.00 0.00 0.00 0.54 -1.11 0.00 0.00 177.40 176.83 1x4t s VAL 9 N -2.82 0.00 0.40 -0.18 0.11 -1.26 -5.19 120.40 111.47 1x4t s VAL 9 Ca 0.18 -0.05 0.08 0.00 -2.93 0.00 0.00 61.98 59.26 1x4t s VAL 9 Cb -0.09 -1.08 -0.06 0.00 -1.53 0.00 0.00 36.38 33.62 1x4t s VAL 9 CO 0.22 0.00 0.09 -1.59 -3.33 0.00 0.00 175.10 170.49 1x4t s LYS 10 N -3.09 2.10 0.07 1.54 -2.85 -1.26 -5.15 119.74 111.10 1x4t s LYS 10 Ca 0.06 -1.92 -0.28 0.00 -1.00 0.00 0.00 55.97 52.83 1x4t s LYS 10 Cb -0.01 -1.85 0.09 0.00 -2.06 0.00 0.00 37.83 34.01 1x4t s LYS 10 CO -0.08 -0.05 1.12 -1.83 0.10 0.00 0.00 175.35 174.62 1x4t s GLU 11 N -3.80 0.80 0.04 1.78 1.03 -1.26 -5.17 118.70 112.12 1x4t s GLU 11 Ca 0.38 -0.45 -0.02 0.00 0.03 0.00 0.00 54.97 54.91 1x4t s GLU 11 Cb 0.05 0.27 -0.04 0.00 -0.80 0.00 0.00 34.13 33.62 1x4t s GLU 11 CO 0.20 -0.37 0.22 0.50 -1.33 0.00 0.00 175.26 174.48 1x4t s ARG 12 N -2.86 3.47 0.35 -4.83 3.52 -1.26 -5.06 118.95 112.28 1x4t s ARG 12 Ca 0.13 -0.33 -0.29 0.00 -0.13 0.00 0.00 55.73 55.12 1x4t s ARG 12 Cb 0.02 -3.05 -0.11 0.00 -1.56 0.00 0.00 34.95 30.25 1x4t s ARG 12 CO -0.01 0.63 1.50 0.50 -0.81 0.00 0.00 175.30 177.11 1x4t s ARG 13 N -2.24 4.13 0.00 5.12 3.52 -1.26 -5.01 118.95 123.21 1x4t s ARG 13 Ca 0.32 2.55 0.00 0.00 -0.13 0.00 0.00 55.73 58.47 1x4t s ARG 13 Cb -0.13 -2.99 0.00 0.00 -1.56 0.00 0.00 34.95 30.27 1x4t s ARG 13 CO 0.23 -0.54 0.00 -0.35 -0.81 0.00 0.00 175.30 173.83 1x4t n PRO 14 N 0.98 0.24 0.00 5.12 -0.04 -1.26 -5.04 135.00 135.00 1x4t n PRO 14 Ca 0.03 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.49 1x4t n PRO 14 Cb 0.39 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.85 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 -1.26 0.00 -3.37 0.54 7.35 -1.26 -4.97 117.46 114.49 1x4t n PHE 15 Ca 0.00 0.00 -0.45 0.00 -0.76 0.00 0.00 57.45 56.24 1x4t n PHE 15 Cb 0.00 0.00 -0.06 0.00 0.35 0.00 0.00 39.48 39.77 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 -3.36 6.04 0.58 -2.13 1.43 -1.26 -4.92 118.68 115.06 1x4t s LEU 16 Ca 0.00 -1.79 0.31 0.00 -1.03 0.00 0.00 54.13 51.62 1x4t s LEU 16 Cb 0.00 -2.16 1.39 0.00 0.03 0.00 0.00 46.19 45.45 1x4t s LEU 16 CO 0.00 -0.81 1.75 0.00 0.23 0.00 0.00 176.35 177.52 1x4t h ALA 17 N 8.78 2.63 -0.04 4.21 0.00 -1.93 0.76 119.26 133.67 1x4t h ALA 17 Ca -0.28 -0.03 -0.18 0.00 0.00 0.00 0.00 54.91 54.42 1x4t h ALA 17 Cb 1.09 0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.94 1x4t h ALA 17 CO 0.99 -1.16 -0.75 0.66 0.00 0.00 0.00 179.25 178.98 1x4t h SER 18 N 0.00 0.33 -0.34 0.00 4.64 -1.92 -3.12 113.55 113.13 1x4t h SER 18 Ca 0.38 -0.23 -0.00 0.00 -0.47 0.00 0.00 61.79 61.47 1x4t h SER 18 Cb 1.87 -0.10 -0.02 0.00 -0.31 0.00 0.00 62.40 63.85 1x4t h SER 18 CO -0.00 0.97 0.21 -0.33 -0.87 0.00 0.00 176.83 176.81 1x4t h GLU 19 N 0.18 0.48 -6.00 4.77 5.08 0.15 -3.36 114.58 115.87 1x4t h GLU 19 Ca -0.03 -0.04 -0.49 0.00 -1.00 0.00 0.00 59.36 57.80 1x4t h GLU 19 Cb 1.33 -0.10 -0.08 0.00 0.50 0.00 0.00 28.75 30.40 1x4t h GLU 19 CO 0.12 0.33 1.21 0.00 -1.00 0.00 0.00 179.01 179.67 1x4t n THR 21 N 7.18 1.49 -4.03 0.00 -2.24 -1.26 -4.77 114.28 110.65 1x4t n THR 21 Ca 0.32 -0.62 -0.33 0.00 -2.27 0.00 0.00 64.05 61.14 1x4t n THR 21 Cb 0.50 -0.66 -0.15 0.00 -2.10 0.00 0.00 70.33 67.92 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 -1.37 2.74 0.10 -0.78 2.02 -1.26 -5.01 118.70 115.13 1x4t s GLU 22 Ca 0.20 -1.02 -0.22 0.00 0.02 0.00 0.00 54.97 53.95 1x4t s GLU 22 Cb 0.17 -2.85 -0.12 0.00 0.10 0.00 0.00 34.13 31.43 1x4t s GLU 22 CO 0.05 -0.39 1.73 1.25 0.02 0.00 0.00 175.26 177.92 1x4t h LEU 23 N 7.93 -0.08 0.00 1.80 5.85 -1.94 -1.44 115.31 127.43 1x4t h LEU 23 Ca -0.33 0.02 0.00 0.00 0.84 0.00 0.00 57.88 58.41 1x4t h LEU 23 Cb 1.10 0.04 0.00 0.00 0.37 0.00 0.00 40.66 42.17 1x4t h LEU 23 CO 0.56 -0.03 0.00 -0.81 -0.34 0.00 0.00 178.44 177.82 1x4t n PRO 24 N -5.13 0.13 0.00 5.25 -0.04 -1.26 -2.66 135.00 131.29 1x4t n PRO 24 Ca -0.06 0.19 -0.19 0.00 -0.04 0.00 0.00 63.50 63.40 1x4t n PRO 24 Cb 0.07 -1.50 -0.14 0.00 -0.04 0.00 0.00 33.50 31.89 1x4t n PRO 24 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 1x4t n LYS 25 N -1.37 0.74 0.17 0.54 4.76 -0.60 -3.90 118.16 118.50 1x4t n LYS 25 Ca 0.06 0.27 0.13 0.00 -2.87 0.00 0.00 58.31 55.90 1x4t n LYS 25 Cb 0.14 -1.73 0.46 0.00 -1.84 0.00 0.00 35.03 32.05 1x4t n LYS 25 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1x4t h ALA 26 N 0.25 1.00 0.00 7.82 0.00 -1.17 -2.08 119.26 125.08 1x4t h ALA 26 Ca -0.40 0.00 -0.10 0.00 0.00 0.00 0.00 54.91 54.41 1x4t h ALA 26 Cb 2.03 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 19.81 1x4t h ALA 26 CO 0.09 0.00 -0.54 0.93 0.00 0.00 0.00 179.25 179.73 1x4t h GLU 27 N 0.00 0.00 0.02 0.00 5.08 -1.67 -2.77 114.58 115.24 1x4t h GLU 27 Ca 0.00 0.00 -0.34 0.00 -1.00 0.00 0.00 59.36 58.02 1x4t h GLU 27 Cb 0.61 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 29.80 1x4t h GLU 27 CO 0.00 0.47 -2.02 0.36 -1.00 0.00 0.00 179.01 176.82 1x4t n LYS 28 N -3.20 0.67 0.21 2.33 2.85 -1.11 -3.99 118.16 115.92 1x4t n LYS 28 Ca 0.01 0.19 0.09 0.00 -1.05 0.00 0.00 58.31 57.55 1x4t n LYS 28 Cb 0.73 -1.68 0.31 0.00 -0.65 0.00 0.00 35.03 33.75 1x4t n LYS 28 CO 0.00 0.00 0.00 -1.49 -0.05 0.00 0.00 177.40 175.86 1x4t h TRP 29 N 0.01 0.00 -0.04 5.58 -0.00 -1.47 -3.10 115.95 116.93 1x4t h TRP 29 Ca -0.41 0.00 -0.19 0.00 -0.00 0.00 0.00 58.89 58.29 1x4t h TRP 29 Cb 2.08 0.00 -0.01 0.00 -0.00 0.00 0.00 29.16 31.23 1x4t h TRP 29 CO 0.02 0.23 -0.78 0.07 -0.00 0.00 0.00 178.44 177.97 1x4t h ARG 30 N 0.00 0.29 -0.10 0.49 0.11 -1.65 -3.18 114.38 110.35 1x4t h ARG 30 Ca -0.00 -0.27 -0.15 0.00 0.10 0.00 0.00 59.98 59.66 1x4t h ARG 30 Cb 0.94 0.06 -0.01 0.00 1.11 0.00 0.00 29.97 32.07 1x4t h ARG 30 CO 0.03 0.94 -0.60 0.07 0.10 0.00 0.00 179.97 180.51 1x4t h ARG 31 N 0.19 0.33 0.00 0.08 0.11 -1.67 -2.69 114.38 110.72 1x4t h ARG 31 Ca -0.04 -0.22 -0.00 0.00 0.10 0.00 0.00 59.98 59.82 1x4t h ARG 31 Cb 1.37 0.03 -0.00 0.00 1.11 0.00 0.00 29.97 32.48 1x4t h ARG 31 CO 0.13 0.83 -0.02 0.37 0.10 0.00 0.00 179.97 181.38 1x4t h GLN 32 N 0.25 0.00 0.02 0.08 4.15 -1.52 -2.66 115.11 115.43 1x4t h GLN 32 Ca -0.00 0.00 -0.24 0.00 0.77 0.00 0.00 58.65 59.18 1x4t h GLN 32 Cb 1.12 0.00 -0.03 0.00 0.21 0.00 0.00 27.48 28.78 1x4t h GLN 32 CO 0.10 0.02 -1.30 0.82 -1.93 0.00 0.00 178.83 176.53 1x4t h ILE 33 N 0.00 0.93 -1.04 2.39 2.04 -1.57 -3.33 117.51 116.93 1x4t h ILE 33 Ca -0.00 -2.22 0.27 0.00 1.00 0.00 0.00 64.86 63.91 1x4t h ILE 33 Cb 0.06 2.35 -0.11 0.00 -0.74 0.00 0.00 36.82 38.38 1x4t h ILE 33 CO 0.00 0.43 0.64 0.40 0.00 0.00 0.00 178.15 179.62 1x4t h ILE 34 N -0.82 0.49 -0.33 -0.67 2.04 -1.23 0.26 117.51 117.26 1x4t h ILE 34 Ca -0.34 -0.15 -0.13 0.00 1.00 0.00 0.00 64.86 65.24 1x4t h ILE 34 Cb 1.41 0.01 -0.01 0.00 -0.74 0.00 0.00 36.82 37.49 1x4t h ILE 34 CO -0.14 0.08 -0.31 1.23 0.00 0.00 0.00 178.15 179.01 1x4t h GLY 35 N 0.45 0.76 0.90 5.37 0.00 -1.64 -2.77 103.07 106.14 1x4t h GLY 35 Ca 0.64 -0.70 -0.02 0.00 0.00 0.00 0.00 47.33 47.24 1x4t h GLY 35 CO -0.39 0.63 0.09 0.83 0.00 0.00 0.00 176.54 177.70 1x4t h GLU 36 N 0.60 0.47 0.02 4.80 5.08 -0.62 -1.35 114.58 123.59 1x4t h GLU 36 Ca 0.07 -0.10 0.01 0.00 -1.00 0.00 0.00 59.36 58.34 1x4t h GLU 36 Cb 0.82 -0.07 -0.02 0.00 0.50 0.00 0.00 28.75 29.98 1x4t h GLU 36 CO 0.07 0.52 -0.08 0.82 -1.00 0.00 0.00 179.01 179.34 1x4t h ILE 37 N 0.33 0.79 0.65 3.13 2.04 -1.35 -2.06 117.51 121.05 1x4t h ILE 37 Ca 0.10 0.00 -0.03 0.00 1.00 0.00 0.00 64.86 65.93 1x4t h ILE 37 Cb 0.25 0.79 0.00 0.00 -0.74 0.00 0.00 36.82 37.13 1x4t h ILE 37 CO -0.00 0.00 -0.36 -1.28 0.00 0.00 0.00 178.15 176.50 1x4t h SER 38 N -0.16 -0.90 -1.27 1.72 0.87 -1.44 0.16 113.55 112.54 1x4t h SER 38 Ca 0.02 0.04 0.42 0.00 -1.23 0.00 0.00 61.79 61.05 1x4t h SER 38 Cb 0.18 0.25 -0.13 0.00 -0.44 0.00 0.00 62.40 62.26 1x4t h SER 38 CO -0.07 -0.58 0.81 0.11 -0.53 0.00 0.00 176.83 176.57 1x4t h LYS 39 N -0.94 0.10 0.08 2.24 1.79 -1.24 1.38 116.57 119.98 1x4t h LYS 39 Ca -0.09 -0.01 -0.25 0.00 -2.18 0.00 0.00 60.65 58.12 1x4t h LYS 39 Cb 0.74 -0.02 0.00 0.00 -1.58 0.00 0.00 32.23 31.37 1x4t h LYS 39 CO 0.11 0.06 -1.12 0.87 -1.08 0.00 0.00 179.45 178.29 1x4t h LYS 40 N 0.10 0.28 -0.63 3.15 1.57 -0.93 -3.30 116.57 116.82 1x4t h LYS 40 Ca 0.81 -0.41 -0.05 0.00 -1.87 0.00 0.00 60.65 59.14 1x4t h LYS 40 Cb 2.47 0.14 -0.03 0.00 0.08 0.00 0.00 32.23 34.90 1x4t h LYS 40 CO -0.46 1.15 0.19 0.28 -0.57 0.00 0.00 179.45 180.05 1x4t h VAL 41 N 0.11 1.25 -0.71 0.50 2.07 0.47 -2.88 116.25 117.06 1x4t h VAL 41 Ca -0.11 -0.85 0.08 0.00 0.82 0.00 0.00 66.70 66.64 1x4t h VAL 41 Cb 1.83 0.61 -0.07 0.00 -1.52 0.00 0.00 31.29 32.14 1x4t h VAL 41 CO 0.18 0.33 0.38 0.00 0.02 0.00 0.00 177.57 178.48 1x4t h ALA 42 N 1.07 0.98 0.00 1.67 0.00 -1.12 0.51 119.26 122.37 1x4t h ALA 42 Ca 0.20 0.04 -0.01 0.00 0.00 0.00 0.00 54.91 55.14 1x4t h ALA 42 Cb 0.30 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 18.01 1x4t h ALA 42 CO -0.01 0.00 -0.06 1.96 0.00 0.00 0.00 179.25 181.15 1x4t h GLN 43 N 0.65 0.00 0.18 0.00 4.20 -1.58 -2.15 115.11 116.42 1x4t h GLN 43 Ca 0.34 0.00 -0.31 0.00 0.06 0.00 0.00 58.65 58.74 1x4t h GLN 43 Cb 0.31 0.00 0.02 0.00 0.30 0.00 0.00 27.48 28.11 1x4t h GLN 43 CO -0.24 0.06 -1.43 0.82 -0.67 0.00 0.00 178.83 177.37 1x4t h ILE 44 N 0.00 1.31 -0.05 2.54 1.08 -0.87 -3.29 117.51 118.23 1x4t h ILE 44 Ca -0.00 -2.83 -0.04 0.00 -0.39 0.00 0.00 64.86 61.60 1x4t h ILE 44 Cb 0.12 2.94 -0.01 0.00 -3.07 0.00 0.00 36.82 36.81 1x4t h ILE 44 CO 0.01 0.85 -0.15 1.56 -0.69 0.00 0.00 178.15 179.72 1x4t h GLN 45 N 0.11 0.07 0.00 2.37 4.20 -0.49 -1.63 115.11 119.74 1x4t h GLN 45 Ca -0.22 -0.01 -0.04 0.00 0.06 0.00 0.00 58.65 58.43 1x4t h GLN 45 Cb 2.07 -0.01 -0.01 0.00 0.30 0.00 0.00 27.48 29.83 1x4t h GLN 45 CO 0.22 0.23 -0.21 -0.91 -0.67 0.00 0.00 178.83 177.50 1x4t h ASN 46 N 0.07 0.00 -6.78 1.46 2.35 -1.50 -3.46 115.58 107.72 1x4t h ASN 46 Ca 0.01 0.00 -0.54 0.00 -0.55 0.00 0.00 56.30 55.22 1x4t h ASN 46 Cb 0.31 0.00 -0.23 0.00 0.05 0.00 0.00 38.32 38.46 1x4t h ASN 46 CO 0.02 0.21 -0.83 0.00 -1.65 0.00 0.00 177.43 175.18 1x4t n ALA 47 N -2.23 -1.64 -2.44 -0.83 0.00 -0.61 -4.77 120.51 107.98 1x4t n ALA 47 Ca -0.00 -0.31 0.02 0.00 0.00 0.00 0.00 53.44 53.15 1x4t n ALA 47 Cb 0.39 -1.12 0.01 0.00 0.00 0.00 0.00 19.45 18.73 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 -1.98 0.95 0.01 0.00 0.00 -1.26 -4.83 105.19 98.08 1x4t n GLY 48 Ca -0.17 -0.74 0.03 0.00 0.00 0.00 0.00 46.02 45.14 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 0.40 0.00 0.00 0.99 4.77 -1.26 -5.10 117.00 116.80 1x4t n LEU 49 Ca 0.01 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.99 1x4t n LEU 49 Cb 1.08 0.04 0.00 0.00 -2.33 0.00 0.00 43.42 42.22 1x4t n LEU 49 CO -0.05 0.04 0.00 0.61 -1.33 0.00 0.00 177.39 176.66 1x4t n GLY 50 N 2.03 3.87 0.38 -0.72 0.00 -1.26 -4.66 105.19 104.82 1x4t n GLY 50 Ca -0.04 -1.35 -0.05 0.00 0.00 0.00 0.00 46.02 44.58 1x4t n GLY 50 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1x4t n GLU 51 N -0.06 -0.30 -0.34 1.61 4.71 -1.26 0.14 120.64 125.14 1x4t n GLU 51 Ca 0.00 1.44 0.16 0.00 -0.01 0.00 0.00 57.16 58.74 1x4t n GLU 51 Cb 0.00 -2.12 0.36 0.00 -1.01 0.00 0.00 31.44 28.67 1x4t n GLU 51 CO 0.00 0.00 0.00 0.74 0.09 0.00 0.00 177.13 177.96 1x4t h PHE 52 N 0.00 0.99 0.32 -0.32 -1.00 -2.00 -1.15 116.94 113.79 1x4t h PHE 52 Ca 0.25 0.04 -0.02 0.00 2.81 0.00 0.00 57.97 61.05 1x4t h PHE 52 Cb 0.49 -0.29 0.00 0.00 3.61 0.00 0.00 35.95 39.77 1x4t h PHE 52 CO -0.89 0.10 -0.15 0.00 -1.61 0.00 0.00 178.31 175.76 1x4t h ARG 53 N 0.61 -0.42 -1.06 1.51 2.47 0.89 -2.05 114.38 116.33 1x4t h ARG 53 Ca 0.62 0.03 0.34 0.00 -1.26 0.00 0.00 59.98 59.71 1x4t h ARG 53 Cb 1.12 0.09 -0.14 0.00 -1.65 0.00 0.00 29.97 29.39 1x4t h ARG 53 CO -0.45 -0.11 0.63 0.82 0.56 0.00 0.00 179.97 181.42 1x4t h ILE 54 N -0.97 0.28 -0.06 2.04 5.03 -0.11 0.35 117.51 124.07 1x4t h ILE 54 Ca -0.04 -0.09 -0.07 0.00 -0.12 0.00 0.00 64.86 64.53 1x4t h ILE 54 Cb 0.50 -0.02 0.00 0.00 -3.03 0.00 0.00 36.82 34.27 1x4t h ILE 54 CO 0.07 0.05 -0.23 0.03 -0.68 0.00 0.00 178.15 177.40 1x4t h ARG 55 N 0.28 0.26 -0.46 2.37 2.47 -1.24 -2.31 114.38 115.74 1x4t h ARG 55 Ca 0.74 -0.20 0.00 0.00 -1.26 0.00 0.00 59.98 59.26 1x4t h ARG 55 Cb 1.85 0.04 -0.02 0.00 -1.65 0.00 0.00 29.97 30.18 1x4t h ARG 55 CO -0.55 0.84 0.29 -0.44 0.56 0.00 0.00 179.97 180.67 1x4t h ASP 56 N -0.27 0.53 0.35 7.04 5.19 0.15 -1.09 116.42 128.32 1x4t h ASP 56 Ca -0.01 -0.02 -0.02 0.00 -0.62 0.00 0.00 57.03 56.36 1x4t h ASP 56 Cb 0.87 -0.13 0.00 0.00 0.18 0.00 0.00 39.33 40.25 1x4t h ASP 56 CO 0.05 0.39 -0.17 -0.07 -3.12 0.00 0.00 179.24 176.32 1x4t h LEU 57 N 0.62 -0.40 -2.05 1.55 3.38 -0.48 -3.14 115.31 114.80 1x4t h LEU 57 Ca 0.17 0.01 0.01 0.00 0.09 0.00 0.00 57.88 58.16 1x4t h LEU 57 Cb -0.06 0.10 -0.00 0.00 0.09 0.00 0.00 40.66 40.79 1x4t h LEU 57 CO -0.03 -0.10 0.33 -0.55 0.09 0.00 0.00 178.44 178.17 1x4t h ASN 58 N -0.84 0.00 -0.28 -0.43 7.08 -1.37 0.16 115.58 119.90 1x4t h ASN 58 Ca -0.05 0.00 -0.14 0.00 -3.08 0.00 0.00 56.30 53.03 1x4t h ASN 58 Cb 0.36 0.00 -0.01 0.00 -2.08 0.00 0.00 38.32 36.59 1x4t h ASN 58 CO 0.08 0.00 -0.34 -0.78 -2.08 0.00 0.00 177.43 174.31 1x4t h ASP 59 N 0.00 0.85 0.16 6.14 3.58 -1.15 -3.22 116.42 122.79 1x4t h ASP 59 Ca 0.02 -0.36 -0.30 0.00 0.42 0.00 0.00 57.03 56.81 1x4t h ASP 59 Cb 0.68 -0.24 0.03 0.00 1.72 0.00 0.00 39.33 41.52 1x4t h ASP 59 CO -0.00 1.11 -1.28 -0.33 -2.88 0.00 0.00 179.24 175.86 1x4t h GLU 60 N 0.68 0.58 0.00 0.28 4.39 -0.67 -3.35 114.58 116.49 1x4t h GLU 60 Ca 0.07 -0.84 0.00 0.00 0.34 0.00 0.00 59.36 58.93 1x4t h GLU 60 Cb 0.89 0.29 0.00 0.00 -0.10 0.00 0.00 28.75 29.83 1x4t h GLU 60 CO 0.08 1.39 0.00 -0.89 -1.16 0.00 0.00 179.01 178.43 1x4t n ILE 61 N -3.80 0.00 -0.35 3.13 2.08 -0.92 -0.91 119.36 118.58 1x4t n ILE 61 Ca -0.15 1.14 -0.10 0.00 0.56 0.00 0.00 62.75 64.20 1x4t n ILE 61 Cb 1.01 -1.57 -0.08 0.00 -0.75 0.00 0.00 39.64 38.25 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 -1.99 -1.01 4.38 2.35 -1.74 0.64 115.58 118.22 1x4t h ASN 62 Ca 0.00 0.31 0.35 0.00 -0.55 0.00 0.00 56.30 56.41 1x4t h ASN 62 Cb 0.00 0.88 -0.16 0.00 0.05 0.00 0.00 38.32 39.10 1x4t h ASN 62 CO 0.00 -0.28 0.57 0.11 -1.65 0.00 0.00 177.43 176.18 1x4t h LYS 63 N -0.09 0.22 0.00 0.81 1.79 -1.31 1.52 116.57 119.51 1x4t h LYS 63 Ca 0.17 -0.01 -0.15 0.00 -2.18 0.00 0.00 60.65 58.48 1x4t h LYS 63 Cb 0.48 -0.05 -0.02 0.00 -1.58 0.00 0.00 32.23 31.06 1x4t h LYS 63 CO -0.87 0.15 -0.69 -0.07 -1.08 0.00 0.00 179.45 176.89 1x4t h LEU 64 N 0.23 0.00 -0.06 2.94 3.38 0.21 -3.27 115.31 118.74 1x4t h LEU 64 Ca 0.77 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 58.72 1x4t h LEU 64 Cb 1.86 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 42.61 1x4t h LEU 64 CO -0.65 0.69 -0.06 0.25 0.09 0.00 0.00 178.44 178.77 1x4t h LEU 65 N 0.00 0.15 -0.73 1.67 5.85 0.39 -3.16 115.31 119.49 1x4t h LEU 65 Ca -0.01 -0.49 0.16 0.00 0.84 0.00 0.00 57.88 58.39 1x4t h LEU 65 Cb 1.28 -0.04 -0.13 0.00 0.37 0.00 0.00 40.66 42.14 1x4t h LEU 65 CO 0.09 0.61 -0.03 0.03 -0.34 0.00 0.00 178.44 178.80 1x4t h ARG 66 N -0.30 0.08 -0.85 1.25 3.08 -1.07 0.23 114.38 116.81 1x4t h ARG 66 Ca 0.01 -0.00 0.08 0.00 0.07 0.00 0.00 59.98 60.13 1x4t h ARG 66 Cb 0.56 -0.02 -0.07 0.00 0.08 0.00 0.00 29.97 30.53 1x4t h ARG 66 CO 0.01 0.05 0.51 1.49 -1.07 0.00 0.00 179.97 180.97 1x4t h GLU 67 N 0.08 0.87 -0.82 0.04 4.57 -1.62 -1.66 114.58 116.05 1x4t h GLU 67 Ca 0.39 -0.05 0.03 0.00 -1.18 0.00 0.00 59.36 58.55 1x4t h GLU 67 Cb 0.66 -0.20 -0.05 0.00 -0.16 0.00 0.00 28.75 29.01 1x4t h GLU 67 CO -0.66 0.57 0.52 -0.22 -1.18 0.00 0.00 179.01 178.05 1x4t h LYS 68 N 0.89 0.99 -0.22 1.92 3.64 -0.52 -1.04 116.57 122.23 1x4t h LYS 68 Ca 0.39 -0.06 0.06 0.00 -1.27 0.00 0.00 60.65 59.77 1x4t h LYS 68 Cb 0.27 -0.22 -0.01 0.00 -0.41 0.00 0.00 32.23 31.85 1x4t h LYS 68 CO -0.21 0.65 0.27 0.78 -2.27 0.00 0.00 179.45 178.68 1x4t h GLY 69 N 1.02 0.00 0.76 5.01 0.00 -0.64 0.42 103.07 109.64 1x4t h GLY 69 Ca 0.33 0.00 -0.24 0.00 0.00 0.00 0.00 47.33 47.42 1x4t h GLY 69 CO -0.12 0.00 -1.72 1.42 0.00 0.00 0.00 176.54 176.13 1x4t n HIS 70 N -3.67 0.77 -0.04 5.60 8.25 -0.47 -3.63 115.22 122.02 1x4t n HIS 70 Ca 0.03 0.27 -0.01 0.00 -0.26 0.00 0.00 57.72 57.74 1x4t n HIS 70 Cb 0.40 -1.08 -0.00 0.00 1.12 0.00 0.00 29.99 30.43 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 0.00 0.00 -0.71 4.41 4.06 -0.17 -1.15 115.95 122.40 1x4t h TRP 71 Ca -0.27 0.00 0.21 0.00 2.06 0.00 0.00 58.89 60.89 1x4t h TRP 71 Cb 1.82 0.00 -0.03 0.00 -1.00 0.00 0.00 29.16 29.95 1x4t h TRP 71 CO 0.00 0.00 0.53 0.93 -3.56 0.00 0.00 178.44 176.34 1x4t h GLU 72 N -0.73 0.00 0.12 0.49 5.08 -0.50 -0.20 114.58 118.84 1x4t h GLU 72 Ca 0.00 0.00 -0.29 0.00 -1.00 0.00 0.00 59.36 58.07 1x4t h GLU 72 Cb 0.15 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.39 1x4t h GLU 72 CO 0.00 0.00 -1.51 -0.24 -1.00 0.00 0.00 179.01 176.26 1x4t h VAL 73 N 0.00 0.98 -0.01 3.13 3.04 -1.68 -3.04 116.25 118.66 1x4t h VAL 73 Ca 0.34 -2.41 0.00 0.00 -1.01 0.00 0.00 66.70 63.62 1x4t h VAL 73 Cb 1.40 2.69 -0.00 0.00 -2.01 0.00 0.00 31.29 33.36 1x4t h VAL 73 CO -0.00 0.74 0.01 -0.09 -1.01 0.00 0.00 177.57 177.21 1x4t h ARG 74 N -0.23 0.00 0.00 4.17 9.65 0.07 -0.31 114.38 127.74 1x4t h ARG 74 Ca -0.32 0.00 -0.08 0.00 -1.10 0.00 0.00 59.98 58.48 1x4t h ARG 74 Cb 1.83 0.00 -0.01 0.00 -1.39 0.00 0.00 29.97 30.39 1x4t h ARG 74 CO 0.07 0.00 -0.39 0.82 2.80 0.00 0.00 179.97 183.28 1x4t h ILE 75 N 0.00 1.02 0.22 1.20 2.04 -1.21 -2.87 117.51 117.92 1x4t h ILE 75 Ca 0.01 -1.45 -0.29 0.00 1.00 0.00 0.00 64.86 64.12 1x4t h ILE 75 Cb 0.03 1.84 0.03 0.00 -0.74 0.00 0.00 36.82 37.99 1x4t h ILE 75 CO -0.00 0.38 -1.27 0.50 0.00 0.00 0.00 178.15 177.76 1x4t h LYS 76 N 0.00 0.48 0.00 2.37 3.64 -1.16 -0.37 116.57 121.52 1x4t h LYS 76 Ca -0.00 -0.80 0.00 0.00 -1.27 0.00 0.00 60.65 58.57 1x4t h LYS 76 Cb 0.81 0.30 0.00 0.00 -0.41 0.00 0.00 32.23 32.93 1x4t h LYS 76 CO 0.05 1.38 0.00 0.39 -2.27 0.00 0.00 179.45 179.00 1x4t n GLU 77 N -3.85 0.11 0.03 1.90 1.02 -1.04 -1.74 120.64 117.07 1x4t n GLU 77 Ca -0.16 0.43 0.01 0.00 -0.02 0.00 0.00 57.16 57.42 1x4t n GLU 77 Cb 1.02 -1.75 -0.08 0.00 -0.02 0.00 0.00 31.44 30.61 1x4t n GLU 77 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 1x4t n LEU 78 N -1.96 0.78 0.00 -4.62 4.77 -1.09 -4.96 117.00 109.91 1x4t n LEU 78 Ca 0.02 0.34 0.00 0.00 -0.03 0.00 0.00 56.01 56.33 1x4t n LEU 78 Cb 0.15 0.07 0.00 0.00 -2.33 0.00 0.00 43.42 41.31 1x4t n LEU 78 CO 0.14 0.12 0.00 0.61 -1.33 0.00 0.00 177.39 176.93 1x4t n GLY 79 N 1.38 1.95 0.00 -0.72 0.00 -0.71 -4.99 105.19 102.10 1x4t n GLY 79 Ca -0.09 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.93 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 -0.10 5.52 3.75 -0.02 0.00 -0.15 -5.02 105.19 109.17 1x4t n GLY 80 Ca 0.00 -1.98 -0.41 0.00 0.00 0.00 0.00 46.02 43.63 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 1.88 4.44 -0.33 1.61 0.04 -1.26 -4.48 135.00 136.90 1x4t s PRO 81 Ca 0.00 2.05 -0.16 0.00 0.04 0.00 0.00 61.00 62.93 1x4t s PRO 81 Cb 0.00 -3.15 -0.02 0.00 0.04 0.00 0.00 34.50 31.38 1x4t s PRO 81 CO 0.00 -0.12 0.41 0.16 0.04 0.00 0.00 177.00 177.49 1x4t s ASP 82 N -0.25 6.24 -0.00 6.66 1.47 -1.26 -3.84 116.67 125.68 1x4t s ASP 82 Ca 0.51 -0.05 0.02 0.00 1.18 0.00 0.00 52.55 54.21 1x4t s ASP 82 Cb -0.37 -2.22 -0.03 0.00 -0.34 0.00 0.00 42.92 39.96 1x4t s ASP 82 CO 0.44 -0.35 0.07 -1.22 0.68 0.00 0.00 175.17 174.79 1x4t n TYR 83 N 5.48 0.00 0.65 2.11 4.01 -1.16 -4.43 117.16 123.82 1x4t n TYR 83 Ca -0.08 0.00 0.10 0.00 -0.16 0.00 0.00 57.90 57.77 1x4t n TYR 83 Cb 0.49 -0.03 -0.13 0.00 -0.31 0.00 0.00 39.34 39.36 1x4t n TYR 83 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1x4t n GLY 84 N 1.89 -1.01 0.13 2.72 0.00 -1.18 -4.30 105.19 103.45 1x4t n GLY 84 Ca -0.00 -0.57 -0.21 0.00 0.00 0.00 0.00 46.02 45.24 1x4t n GLY 84 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1x4t n LYS 85 N -1.77 0.71 0.00 1.61 0.00 -1.26 -4.01 118.16 113.44 1x4t n LYS 85 Ca 0.01 0.28 0.04 0.00 0.00 0.00 0.00 58.31 58.64 1x4t n LYS 85 Cb 0.41 -1.67 0.18 0.00 0.00 0.00 0.00 35.03 33.95 1x4t n LYS 85 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.40 178.73 1x4t n VAL 86 N -3.57 1.15 -3.29 3.15 0.24 -1.26 -4.53 118.33 110.21 1x4t n VAL 86 Ca -0.35 0.29 0.03 0.00 -2.04 0.00 0.00 64.34 62.26 1x4t n VAL 86 Cb 0.99 -1.16 -0.04 0.00 -1.47 0.00 0.00 33.84 32.17 1x4t n VAL 86 CO 0.00 0.00 0.00 -0.44 -2.14 0.00 0.00 176.83 174.25 1x4t s SER 87 N -2.77 -0.39 0.00 -1.34 0.01 -1.26 -5.12 113.70 102.84 1x4t s SER 87 Ca 0.06 0.49 0.00 0.00 1.31 0.00 0.00 55.95 57.80 1x4t s SER 87 Cb 0.05 1.42 0.00 0.00 0.21 0.00 0.00 66.02 67.70 1x4t s SER 87 CO 0.13 -0.07 0.00 0.61 0.41 0.00 0.00 173.24 174.31 1x4t n GLY 88 N 4.90 2.14 3.55 3.44 0.00 -1.26 -4.51 105.19 113.46 1x4t n GLY 88 Ca -0.08 -0.23 -0.33 0.00 0.00 0.00 0.00 46.02 45.38 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 -1.54 2.59 -0.49 1.61 0.04 -1.26 -4.93 135.00 131.02 1x4t s PRO 89 Ca 0.00 0.22 -0.07 0.00 0.04 0.00 0.00 61.00 61.19 1x4t s PRO 89 Cb 0.00 -4.68 0.13 0.00 0.04 0.00 0.00 34.50 29.98 1x4t s PRO 89 CO 0.00 -3.02 0.33 -1.54 0.04 0.00 0.00 177.00 172.81 1x4t s SER 90 N 8.09 5.56 0.33 6.66 1.04 -1.26 -5.08 113.70 129.03 1x4t s SER 90 Ca 0.69 -2.10 -0.23 0.00 0.48 0.00 0.00 55.95 54.79 1x4t s SER 90 Cb -0.10 -1.95 -0.10 0.00 0.10 0.00 0.00 66.02 63.98 1x4t s SER 90 CO 0.11 -0.61 0.89 -0.94 0.98 0.00 0.00 173.24 173.68 1x4t s SER 91 N 2.16 7.17 0.00 7.02 1.04 -1.26 -5.30 113.70 124.53 1x4t s SER 91 Ca 0.08 1.69 0.18 0.00 0.48 0.00 0.00 55.95 58.38 1x4t s SER 91 Cb -0.24 -2.53 1.06 0.00 0.10 0.00 0.00 66.02 64.41 1x4t s SER 91 CO -0.02 -0.12 1.46 0.61 0.98 0.00 0.00 173.24 176.15