#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x4t h SER 2 N 0.00 0.31 -1.03 1.61 0.87 -2.15 -3.42 113.55 109.73 1x4t h SER 2 Ca 0.00 0.03 -0.86 0.00 -1.23 0.00 0.00 61.79 59.72 1x4t h SER 2 Cb 0.00 -0.03 0.01 0.00 -0.44 0.00 0.00 62.40 61.95 1x4t h SER 2 CO 0.00 0.22 0.65 -1.20 -0.53 0.00 0.00 176.83 175.97 1x4t n SER 3 N -4.92 1.18 0.00 6.23 7.64 -1.26 -4.92 113.62 117.58 1x4t n SER 3 Ca 0.03 1.18 0.00 0.00 1.01 0.00 0.00 58.87 61.09 1x4t n SER 3 Cb 0.12 -0.90 0.00 0.00 -1.01 0.00 0.00 64.21 62.42 1x4t n SER 3 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1x4t n GLY 4 N 3.81 0.65 3.64 0.23 0.00 -1.26 -5.16 105.19 107.10 1x4t n GLY 4 Ca 0.30 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 46.27 1x4t n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1x4t s SER 5 N -0.74 -0.38 -0.23 1.61 0.15 -1.26 -5.12 113.70 107.74 1x4t s SER 5 Ca 0.00 0.66 -0.35 0.00 0.70 0.00 0.00 55.95 56.96 1x4t s SER 5 Cb 0.00 0.92 -0.12 0.00 -1.71 0.00 0.00 66.02 65.11 1x4t s SER 5 CO 0.00 -0.11 2.00 -0.24 1.20 0.00 0.00 173.24 176.09 1x4t n SER 6 N 2.82 2.76 0.06 5.45 2.88 -1.26 -4.76 113.62 121.57 1x4t n SER 6 Ca -0.15 0.72 0.00 0.00 -1.33 0.00 0.00 58.87 58.11 1x4t n SER 6 Cb 0.57 -1.30 0.00 0.00 -0.75 0.00 0.00 64.21 62.72 1x4t n SER 6 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1x4t n GLY 7 N 5.27 -0.10 3.72 0.46 0.00 -1.26 -5.08 105.19 108.20 1x4t n GLY 7 Ca 0.31 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.94 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 -3.18 1.54 -0.01 1.61 4.76 -1.26 -4.95 118.16 116.67 1x4t n LYS 8 Ca 0.00 0.57 -0.12 0.00 -2.87 0.00 0.00 58.31 55.89 1x4t n LYS 8 Cb 0.11 -2.49 -0.09 0.00 -1.84 0.00 0.00 35.03 30.72 1x4t n LYS 8 CO 0.00 0.00 0.00 0.28 -1.37 0.00 0.00 177.40 176.31 1x4t h VAL 9 N 1.27 1.24 -3.15 -0.18 2.07 -2.03 -3.47 116.25 112.00 1x4t h VAL 9 Ca -0.50 -1.53 -0.41 0.00 0.82 0.00 0.00 66.70 65.08 1x4t h VAL 9 Cb 1.32 2.17 -0.15 0.00 -1.52 0.00 0.00 31.29 33.10 1x4t h VAL 9 CO 0.56 0.35 -0.73 -1.59 0.02 0.00 0.00 177.57 176.18 1x4t s LYS 10 N -3.11 1.20 0.14 1.57 -2.85 -1.26 -5.15 119.74 110.28 1x4t s LYS 10 Ca -0.15 -1.49 -0.09 0.00 -1.00 0.00 0.00 55.97 53.25 1x4t s LYS 10 Cb -0.00 -0.96 -0.06 0.00 -2.06 0.00 0.00 37.83 34.75 1x4t s LYS 10 CO 0.56 0.16 0.44 -1.83 0.10 0.00 0.00 175.35 174.78 1x4t s GLU 11 N -3.48 3.75 -0.19 1.78 1.03 -1.26 -5.08 118.70 115.25 1x4t s GLU 11 Ca 0.18 0.15 -0.07 0.00 0.03 0.00 0.00 54.97 55.26 1x4t s GLU 11 Cb -0.01 -2.87 -0.04 0.00 -0.80 0.00 0.00 34.13 30.42 1x4t s GLU 11 CO 0.04 0.47 0.05 0.50 -1.33 0.00 0.00 175.26 174.99 1x4t s ARG 12 N -2.34 3.89 0.39 -4.83 6.06 -1.26 -5.08 118.95 115.78 1x4t s ARG 12 Ca 0.39 -0.39 -0.27 0.00 -2.50 0.00 0.00 55.73 52.96 1x4t s ARG 12 Cb -0.13 -3.17 -0.10 0.00 0.06 0.00 0.00 34.95 31.61 1x4t s ARG 12 CO 0.21 0.22 1.41 0.50 -2.50 0.00 0.00 175.30 175.13 1x4t s ARG 13 N 0.51 4.03 0.00 5.12 3.52 -1.26 -5.02 118.95 125.85 1x4t s ARG 13 Ca 0.02 2.41 0.00 0.00 -0.13 0.00 0.00 55.73 58.03 1x4t s ARG 13 Cb -0.13 -2.88 0.00 0.00 -1.56 0.00 0.00 34.95 30.38 1x4t s ARG 13 CO 0.01 -0.53 0.00 -0.35 -0.81 0.00 0.00 175.30 173.62 1x4t n PRO 14 N 0.31 0.22 0.00 5.12 -0.04 -1.26 -5.04 135.00 134.30 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 0.41 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.87 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 -1.29 0.00 -3.55 0.54 7.35 -1.26 -4.99 117.46 114.26 1x4t n PHE 15 Ca 0.00 0.00 -0.41 0.00 -0.76 0.00 0.00 57.45 56.28 1x4t n PHE 15 Cb 0.00 0.00 -0.10 0.00 0.35 0.00 0.00 39.48 39.73 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 -2.95 5.12 0.34 -2.13 1.43 -1.26 -4.93 118.68 114.30 1x4t s LEU 16 Ca 0.00 -1.28 0.18 0.00 -1.03 0.00 0.00 54.13 52.00 1x4t s LEU 16 Cb 0.00 -2.05 0.99 0.00 0.03 0.00 0.00 46.19 45.17 1x4t s LEU 16 CO 0.00 -0.51 1.51 0.00 0.23 0.00 0.00 176.35 177.58 1x4t h ALA 17 N 8.50 1.10 0.00 4.21 0.00 -1.94 0.27 119.26 131.40 1x4t h ALA 17 Ca -0.25 0.00 -0.19 0.00 0.00 0.00 0.00 54.91 54.47 1x4t h ALA 17 Cb 1.10 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.86 1x4t h ALA 17 CO 0.75 -0.10 -1.11 0.66 0.00 0.00 0.00 179.25 179.46 1x4t h SER 18 N 0.00 0.00 0.21 0.00 4.64 -1.96 -3.30 113.55 113.14 1x4t h SER 18 Ca 0.00 0.00 -0.11 0.00 -0.47 0.00 0.00 61.79 61.21 1x4t h SER 18 Cb 0.29 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.36 1x4t h SER 18 CO 0.00 0.78 -0.40 -0.33 -0.87 0.00 0.00 176.83 176.01 1x4t h GLU 19 N 0.00 0.26 -5.97 4.77 4.39 -0.87 -3.39 114.58 113.77 1x4t h GLU 19 Ca -0.10 -0.12 -0.59 0.00 0.34 0.00 0.00 59.36 58.89 1x4t h GLU 19 Cb 1.68 -0.00 -0.11 0.00 -0.10 0.00 0.00 28.75 30.22 1x4t h GLU 19 CO 0.08 0.62 1.06 0.00 -1.16 0.00 0.00 179.01 179.62 1x4t n THR 21 N 6.35 0.84 -3.84 0.00 -2.24 -1.26 -4.80 114.28 109.32 1x4t n THR 21 Ca 0.13 -0.46 -0.36 0.00 -2.27 0.00 0.00 64.05 61.09 1x4t n THR 21 Cb 0.49 -0.31 -0.12 0.00 -2.10 0.00 0.00 70.33 68.29 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 3.71 0.04 -0.78 8.01 -1.26 -5.00 118.70 121.80 1x4t s GLU 22 Ca 0.19 -0.45 -0.25 0.00 0.01 0.00 0.00 54.97 54.46 1x4t s GLU 22 Cb 0.13 -3.29 -0.17 0.00 -4.31 0.00 0.00 34.13 26.50 1x4t s GLU 22 CO 0.07 -0.08 1.49 1.25 0.01 0.00 0.00 175.26 177.99 1x4t h LEU 23 N 7.88 -0.17 0.00 1.80 5.85 -1.93 -2.48 115.31 126.27 1x4t h LEU 23 Ca -0.37 -0.16 0.00 0.00 0.84 0.00 0.00 57.88 58.18 1x4t h LEU 23 Cb 1.18 0.04 0.00 0.00 0.37 0.00 0.00 40.66 42.25 1x4t h LEU 23 CO 0.60 0.07 0.00 -0.81 -0.34 0.00 0.00 178.44 177.96 1x4t n PRO 24 N -5.08 0.14 -0.00 5.25 -0.04 -1.26 -2.55 135.00 131.45 1x4t n PRO 24 Ca -0.09 0.19 -0.15 0.00 -0.04 0.00 0.00 63.50 63.40 1x4t n PRO 24 Cb 0.18 -1.50 -0.14 0.00 -0.04 0.00 0.00 33.50 32.00 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 0.15 0.00 0.54 1.79 -1.89 -3.29 116.57 113.87 1x4t h LYS 25 Ca 0.00 -0.25 -0.05 0.00 -2.18 0.00 0.00 60.65 58.17 1x4t h LYS 25 Cb 0.18 0.09 -0.01 0.00 -1.58 0.00 0.00 32.23 30.91 1x4t h LYS 25 CO 0.00 0.89 -0.24 0.00 -1.08 0.00 0.00 179.45 179.01 1x4t h ALA 26 N 0.52 0.91 -0.05 3.86 0.00 -1.17 -3.03 119.26 120.29 1x4t h ALA 26 Ca -0.35 -0.22 -0.20 0.00 0.00 0.00 0.00 54.91 54.14 1x4t h ALA 26 Cb 2.03 -0.04 0.01 0.00 0.00 0.00 0.00 17.79 19.79 1x4t h ALA 26 CO 0.09 0.30 -0.73 0.93 0.00 0.00 0.00 179.25 179.84 1x4t h GLU 27 N 0.00 0.59 -0.19 0.00 5.08 -1.67 -2.01 114.58 116.38 1x4t h GLU 27 Ca -0.00 -0.57 -0.08 0.00 -1.00 0.00 0.00 59.36 57.71 1x4t h GLU 27 Cb 0.97 0.14 -0.01 0.00 0.50 0.00 0.00 28.75 30.35 1x4t h GLU 27 CO 0.03 1.18 -0.23 1.57 -1.00 0.00 0.00 179.01 180.57 1x4t h LYS 28 N 0.21 0.35 0.00 2.33 2.10 -1.62 -2.36 116.57 117.58 1x4t h LYS 28 Ca -0.08 -0.12 -0.12 0.00 -2.00 0.00 0.00 60.65 58.34 1x4t h LYS 28 Cb 1.40 -0.03 -0.02 0.00 -0.90 0.00 0.00 32.23 32.68 1x4t h LYS 28 CO 0.15 0.56 -0.55 -1.49 -2.00 0.00 0.00 179.45 176.12 1x4t h TRP 29 N 0.32 0.00 0.08 0.07 -0.00 -1.55 -2.95 115.95 111.91 1x4t h TRP 29 Ca 0.05 0.00 -0.00 0.00 -0.00 0.00 0.00 58.89 58.94 1x4t h TRP 29 Cb 0.58 0.00 0.00 0.00 -0.00 0.00 0.00 29.16 29.74 1x4t h TRP 29 CO 0.01 0.55 -0.04 -0.09 -0.00 0.00 0.00 178.44 178.88 1x4t h ARG 30 N 0.00 -0.10 0.00 0.49 2.43 -0.95 -3.00 114.38 113.26 1x4t h ARG 30 Ca -0.01 0.01 -0.03 0.00 -0.81 0.00 0.00 59.98 59.14 1x4t h ARG 30 Cb 1.36 0.02 -0.00 0.00 -0.42 0.00 0.00 29.97 30.93 1x4t h ARG 30 CO 0.07 0.40 -0.16 0.07 -1.51 0.00 0.00 179.97 178.84 1x4t h ARG 31 N -0.66 0.00 -0.12 0.20 0.11 -1.54 -2.06 114.38 110.30 1x4t h ARG 31 Ca -0.01 0.00 -0.09 0.00 0.10 0.00 0.00 59.98 59.98 1x4t h ARG 31 Cb 0.54 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 31.61 1x4t h ARG 31 CO 0.02 0.16 -0.33 0.37 0.10 0.00 0.00 179.97 180.29 1x4t h GLN 32 N 0.00 0.23 0.04 0.08 4.15 -1.50 -2.90 115.11 115.21 1x4t h GLN 32 Ca -0.00 -0.09 -0.00 0.00 0.77 0.00 0.00 58.65 59.33 1x4t h GLN 32 Cb 0.35 -0.01 0.00 0.00 0.21 0.00 0.00 27.48 28.03 1x4t h GLN 32 CO 0.02 0.54 -0.02 0.82 -1.93 0.00 0.00 178.83 178.26 1x4t h ILE 33 N 0.20 1.27 -0.61 2.39 2.04 -1.24 -3.31 117.51 118.26 1x4t h ILE 33 Ca 0.03 -1.72 0.11 0.00 1.00 0.00 0.00 64.86 64.28 1x4t h ILE 33 Cb 0.68 2.30 -0.12 0.00 -0.74 0.00 0.00 36.82 38.95 1x4t h ILE 33 CO 0.05 0.39 -0.32 0.40 0.00 0.00 0.00 178.15 178.67 1x4t h ILE 34 N -0.90 0.18 -1.05 -0.67 2.04 -1.49 0.27 117.51 115.89 1x4t h ILE 34 Ca -0.01 0.00 0.27 0.00 1.00 0.00 0.00 64.86 66.13 1x4t h ILE 34 Cb 0.68 0.18 -0.10 0.00 -0.74 0.00 0.00 36.82 36.83 1x4t h ILE 34 CO 0.01 0.00 0.66 1.23 0.00 0.00 0.00 178.15 180.05 1x4t h GLY 35 N -0.14 1.40 0.58 5.37 0.00 -1.64 -0.50 103.07 108.14 1x4t h GLY 35 Ca 0.24 -0.23 -0.01 0.00 0.00 0.00 0.00 47.33 47.34 1x4t h GLY 35 CO -0.69 -0.18 -0.02 0.83 0.00 0.00 0.00 176.54 176.47 1x4t h GLU 36 N 0.42 0.07 -0.46 4.80 5.08 -0.58 -2.74 114.58 121.16 1x4t h GLU 36 Ca 0.62 -0.03 0.09 0.00 -1.00 0.00 0.00 59.36 59.05 1x4t h GLU 36 Cb 1.51 -0.00 -0.10 0.00 0.50 0.00 0.00 28.75 30.66 1x4t h GLU 36 CO -0.35 0.50 -0.23 0.82 -1.00 0.00 0.00 179.01 178.74 1x4t h ILE 37 N -0.37 0.33 0.60 3.13 2.04 -0.36 -1.97 117.51 120.92 1x4t h ILE 37 Ca 0.01 0.00 -0.02 0.00 1.00 0.00 0.00 64.86 65.84 1x4t h ILE 37 Cb 0.48 0.33 -0.01 0.00 -0.74 0.00 0.00 36.82 36.89 1x4t h ILE 37 CO 0.01 0.00 -0.43 -1.28 0.00 0.00 0.00 178.15 176.45 1x4t h SER 38 N -0.14 -1.11 -1.22 1.72 0.87 -1.46 0.22 113.55 112.43 1x4t h SER 38 Ca 0.22 0.07 0.45 0.00 -1.23 0.00 0.00 61.79 61.30 1x4t h SER 38 Cb 0.48 0.34 -0.15 0.00 -0.44 0.00 0.00 62.40 62.62 1x4t h SER 38 CO -0.55 -0.62 0.75 0.29 -0.53 0.00 0.00 176.83 176.17 1x4t n LYS 39 N -5.07 -0.04 0.11 2.24 4.76 -1.00 0.12 118.16 119.27 1x4t n LYS 39 Ca -0.12 1.28 -0.23 0.00 -2.87 0.00 0.00 58.31 56.37 1x4t n LYS 39 Cb 0.42 -2.43 -0.15 0.00 -1.84 0.00 0.00 35.03 31.02 1x4t n LYS 39 CO 0.00 0.00 0.00 0.87 -1.37 0.00 0.00 177.40 176.90 1x4t h LYS 40 N 0.00 0.44 -0.62 1.97 1.57 -0.76 -3.32 116.57 115.86 1x4t h LYS 40 Ca 0.85 -0.75 0.12 0.00 -1.87 0.00 0.00 60.65 59.00 1x4t h LYS 40 Cb 2.58 0.28 -0.09 0.00 0.08 0.00 0.00 32.23 35.08 1x4t h LYS 40 CO -0.57 1.36 0.12 0.28 -0.57 0.00 0.00 179.45 180.07 1x4t h VAL 41 N -0.06 0.60 -0.92 0.50 2.07 0.42 -0.15 116.25 118.71 1x4t h VAL 41 Ca -0.22 -0.08 0.09 0.00 0.82 0.00 0.00 66.70 67.31 1x4t h VAL 41 Cb 1.96 0.34 -0.07 0.00 -1.52 0.00 0.00 31.29 32.00 1x4t h VAL 41 CO 0.22 0.04 0.56 0.00 0.02 0.00 0.00 177.57 178.42 1x4t h ALA 42 N 1.51 1.32 0.00 1.67 0.00 -1.35 0.11 119.26 122.52 1x4t h ALA 42 Ca 0.33 0.01 -0.03 0.00 0.00 0.00 0.00 54.91 55.22 1x4t h ALA 42 Cb 0.51 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 18.10 1x4t h ALA 42 CO -0.44 0.22 -0.15 1.96 0.00 0.00 0.00 179.25 180.85 1x4t h GLN 43 N 0.95 0.00 0.21 0.00 4.20 -1.13 -2.82 115.11 116.51 1x4t h GLN 43 Ca 0.43 0.00 -0.34 0.00 0.06 0.00 0.00 58.65 58.80 1x4t h GLN 43 Cb 0.34 0.00 0.02 0.00 0.30 0.00 0.00 27.48 28.14 1x4t h GLN 43 CO -0.23 0.15 -1.64 0.82 -0.67 0.00 0.00 178.83 177.26 1x4t h ILE 44 N 0.00 1.06 -0.61 2.54 1.08 -0.29 -3.32 117.51 117.97 1x4t h ILE 44 Ca -0.00 -2.56 0.10 0.00 -0.39 0.00 0.00 64.86 62.01 1x4t h ILE 44 Cb 0.39 2.86 -0.04 0.00 -3.07 0.00 0.00 36.82 36.96 1x4t h ILE 44 CO 0.02 0.83 0.41 1.56 -0.69 0.00 0.00 178.15 180.28 1x4t h GLN 45 N 0.09 0.38 -0.19 2.37 4.20 -0.71 -1.82 115.11 119.43 1x4t h GLN 45 Ca -0.31 -0.02 -0.02 0.00 0.06 0.00 0.00 58.65 58.35 1x4t h GLN 45 Cb 2.10 -0.09 -0.01 0.00 0.30 0.00 0.00 27.48 29.78 1x4t h GLN 45 CO 0.20 0.25 0.02 -0.91 -0.67 0.00 0.00 178.83 177.73 1x4t h ASN 46 N 0.40 0.31 -4.20 1.46 2.35 -1.62 -3.47 115.58 110.81 1x4t h ASN 46 Ca 0.28 -0.28 -0.41 0.00 -0.55 0.00 0.00 56.30 55.35 1x4t h ASN 46 Cb 0.58 -0.08 0.04 0.00 0.05 0.00 0.00 38.32 38.91 1x4t h ASN 46 CO -0.08 0.51 -0.59 0.00 -1.65 0.00 0.00 177.43 175.62 1x4t n ALA 47 N -2.30 -0.91 -2.44 -0.83 0.00 -0.69 -4.88 120.51 108.47 1x4t n ALA 47 Ca -0.04 0.26 0.02 0.00 0.00 0.00 0.00 53.44 53.67 1x4t n ALA 47 Cb 0.20 -3.53 0.05 0.00 0.00 0.00 0.00 19.45 16.17 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 -1.41 2.08 0.01 0.00 0.00 -1.26 -4.79 105.19 99.82 1x4t n GLY 48 Ca -0.14 -1.08 0.05 0.00 0.00 0.00 0.00 46.02 44.85 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 -0.07 0.00 0.00 0.99 4.77 -1.26 -5.10 117.00 116.33 1x4t n LEU 49 Ca 0.10 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.08 1x4t n LEU 49 Cb 0.99 0.04 0.00 0.00 -2.33 0.00 0.00 43.42 42.12 1x4t n LEU 49 CO 0.02 0.04 0.00 0.61 -1.33 0.00 0.00 177.39 176.72 1x4t n GLY 50 N 1.82 3.53 0.07 -0.72 0.00 -1.26 -4.66 105.19 103.97 1x4t n GLY 50 Ca -0.05 -1.39 -0.02 0.00 0.00 0.00 0.00 46.02 44.57 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 0.41 -0.07 -0.30 1.61 1.02 -1.26 0.12 120.64 122.16 1x4t n GLU 51 Ca 0.00 0.80 0.16 0.00 -0.02 0.00 0.00 57.16 58.09 1x4t n GLU 51 Cb 0.00 -1.19 0.30 0.00 -0.02 0.00 0.00 31.44 30.53 1x4t n GLU 51 CO 0.00 0.00 0.00 1.97 1.18 0.00 0.00 177.13 180.28 1x4t n PHE 52 N -3.20 0.64 0.28 -0.32 -1.74 -1.26 -0.36 117.46 111.50 1x4t n PHE 52 Ca 0.00 1.07 -0.12 0.00 -0.56 0.00 0.00 57.45 57.84 1x4t n PHE 52 Cb 0.04 -1.21 -0.06 0.00 1.52 0.00 0.00 39.48 39.77 1x4t n PHE 52 CO 0.00 0.00 0.00 0.00 -0.56 0.00 0.00 176.76 176.20 1x4t h ARG 53 N 0.00 -0.73 -0.91 3.97 2.47 0.62 -1.33 114.38 118.47 1x4t h ARG 53 Ca 0.57 0.05 0.26 0.00 -1.26 0.00 0.00 59.98 59.60 1x4t h ARG 53 Cb 1.25 0.17 -0.15 0.00 -1.65 0.00 0.00 29.97 29.59 1x4t h ARG 53 CO -0.81 -0.49 0.25 0.82 0.56 0.00 0.00 179.97 180.31 1x4t h ILE 54 N -1.19 0.25 -0.15 2.04 5.03 0.14 0.30 117.51 123.94 1x4t h ILE 54 Ca -0.08 -0.06 -0.03 0.00 -0.12 0.00 0.00 64.86 64.57 1x4t h ILE 54 Cb 0.58 0.06 -0.00 0.00 -3.03 0.00 0.00 36.82 34.43 1x4t h ILE 54 CO 0.13 0.03 -0.05 0.03 -0.68 0.00 0.00 178.15 177.61 1x4t h ARG 55 N 0.17 0.29 -0.76 2.37 2.47 -0.72 -1.89 114.38 116.31 1x4t h ARG 55 Ca 0.59 -0.12 0.04 0.00 -1.26 0.00 0.00 59.98 59.24 1x4t h ARG 55 Cb 1.25 -0.01 -0.04 0.00 -1.65 0.00 0.00 29.97 29.51 1x4t h ARG 55 CO -0.70 0.58 0.50 -0.44 0.56 0.00 0.00 179.97 180.47 1x4t h ASP 56 N -0.02 0.78 0.58 7.04 3.32 0.49 -0.60 116.42 128.00 1x4t h ASP 56 Ca 0.04 -0.01 -0.03 0.00 0.02 0.00 0.00 57.03 57.05 1x4t h ASP 56 Cb 0.48 -0.18 0.01 0.00 0.22 0.00 0.00 39.33 39.86 1x4t h ASP 56 CO 0.02 0.53 -0.28 -0.07 -1.72 0.00 0.00 179.24 177.72 1x4t h LEU 57 N 0.90 -0.66 -0.87 1.55 3.38 -0.45 -3.15 115.31 116.01 1x4t h LEU 57 Ca 0.31 0.02 0.18 0.00 0.09 0.00 0.00 57.88 58.47 1x4t h LEU 57 Cb 0.08 0.17 -0.11 0.00 0.09 0.00 0.00 40.66 40.90 1x4t h LEU 57 CO -0.09 -0.28 0.42 0.78 0.09 0.00 0.00 178.44 179.37 1x4t h ASN 58 N -1.17 0.46 -0.71 -0.43 2.35 -1.23 -0.28 115.58 114.57 1x4t h ASN 58 Ca -0.08 0.12 0.16 0.00 -0.55 0.00 0.00 56.30 55.94 1x4t h ASN 58 Cb 0.60 0.06 -0.11 0.00 0.05 0.00 0.00 38.32 38.91 1x4t h ASN 58 CO 0.13 0.14 0.09 -0.78 -1.65 0.00 0.00 177.43 175.36 1x4t h ASP 59 N 0.54 -0.15 -0.15 5.81 3.58 -1.13 -1.29 116.42 123.62 1x4t h ASP 59 Ca 0.50 0.16 -0.08 0.00 0.42 0.00 0.00 57.03 58.04 1x4t h ASP 59 Cb 0.82 0.25 -0.00 0.00 1.72 0.00 0.00 39.33 42.12 1x4t h ASP 59 CO -0.43 -0.10 -0.20 -0.33 -2.88 0.00 0.00 179.24 175.30 1x4t h GLU 60 N 0.18 0.40 -0.85 0.28 4.39 -1.04 -3.24 114.58 114.70 1x4t h GLU 60 Ca 0.39 -0.23 0.15 0.00 0.34 0.00 0.00 59.36 60.01 1x4t h GLU 60 Cb 0.68 0.02 -0.15 0.00 -0.10 0.00 0.00 28.75 29.20 1x4t h GLU 60 CO -0.56 0.81 -0.28 -0.89 -1.16 0.00 0.00 179.01 176.93 1x4t n ILE 61 N -4.49 -0.41 0.14 3.13 2.08 -0.51 0.30 119.36 119.60 1x4t n ILE 61 Ca -0.06 1.97 -0.14 0.00 0.56 0.00 0.00 62.75 65.08 1x4t n ILE 61 Cb 0.41 -2.66 -0.08 0.00 -0.75 0.00 0.00 39.64 36.56 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 -0.23 -0.45 4.38 2.35 -1.55 -0.25 115.58 119.83 1x4t h ASN 62 Ca 0.35 0.01 0.13 0.00 -0.55 0.00 0.00 56.30 56.23 1x4t h ASN 62 Cb 0.56 0.06 -0.02 0.00 0.05 0.00 0.00 38.32 38.97 1x4t h ASN 62 CO -0.86 -0.16 0.51 0.11 -1.65 0.00 0.00 177.43 175.38 1x4t h LYS 63 N -0.27 0.00 0.01 0.81 1.79 -0.19 0.36 116.57 119.09 1x4t h LYS 63 Ca -0.03 0.00 -0.29 0.00 -2.18 0.00 0.00 60.65 58.16 1x4t h LYS 63 Cb 0.21 0.00 -0.04 0.00 -1.58 0.00 0.00 32.23 30.82 1x4t h LYS 63 CO 0.05 0.00 -1.63 -0.07 -1.08 0.00 0.00 179.45 176.71 1x4t h LEU 64 N 0.00 0.05 0.19 2.94 3.38 -0.21 -3.34 115.31 118.33 1x4t h LEU 64 Ca 0.21 -0.09 -0.01 0.00 0.09 0.00 0.00 57.88 58.08 1x4t h LEU 64 Cb 1.23 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 41.97 1x4t h LEU 64 CO -0.00 1.08 -0.09 0.25 0.09 0.00 0.00 178.44 179.76 1x4t h LEU 65 N 0.01 -0.22 -0.31 1.67 5.85 0.14 -3.00 115.31 119.45 1x4t h LEU 65 Ca -0.26 -0.25 0.06 0.00 0.84 0.00 0.00 57.88 58.27 1x4t h LEU 65 Cb 1.99 0.06 -0.08 0.00 0.37 0.00 0.00 40.66 42.99 1x4t h LEU 65 CO 0.09 0.15 -0.45 0.08 -0.34 0.00 0.00 178.44 177.96 1x4t h ARG 66 N -0.62 -0.39 -0.97 1.25 0.11 -1.43 0.32 114.38 112.65 1x4t h ARG 66 Ca -0.03 0.03 0.28 0.00 0.10 0.00 0.00 59.98 60.36 1x4t h ARG 66 Cb 0.45 0.09 -0.04 0.00 1.11 0.00 0.00 29.97 31.58 1x4t h ARG 66 CO 0.04 -0.26 0.69 1.49 0.10 0.00 0.00 179.97 182.03 1x4t h GLU 67 N -0.41 0.03 -0.25 0.08 4.57 -1.68 0.13 114.58 117.06 1x4t h GLU 67 Ca 0.10 -0.00 -0.08 0.00 -1.18 0.00 0.00 59.36 58.20 1x4t h GLU 67 Cb 0.61 -0.01 -0.01 0.00 -0.16 0.00 0.00 28.75 29.19 1x4t h GLU 67 CO -0.52 0.02 -0.17 -0.22 -1.18 0.00 0.00 179.01 176.94 1x4t h LYS 68 N 0.03 0.55 -0.10 1.92 3.64 -0.24 -1.46 116.57 120.91 1x4t h LYS 68 Ca 0.46 -0.26 0.03 0.00 -1.27 0.00 0.00 60.65 59.61 1x4t h LYS 68 Cb 1.81 -0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 33.62 1x4t h LYS 68 CO -0.02 0.83 0.11 0.78 -2.27 0.00 0.00 179.45 178.88 1x4t h GLY 69 N 0.26 0.00 0.48 5.01 0.00 -0.00 0.20 103.07 109.02 1x4t h GLY 69 Ca 0.05 0.00 -0.30 0.00 0.00 0.00 0.00 47.33 47.08 1x4t h GLY 69 CO 0.05 0.00 -1.57 0.45 0.00 0.00 0.00 176.54 175.46 1x4t h HIS 70 N 0.00 0.38 0.22 5.60 3.86 -1.33 -3.30 115.15 120.58 1x4t h HIS 70 Ca 0.05 -0.28 -0.01 0.00 -1.16 0.00 0.00 60.37 58.97 1x4t h HIS 70 Cb 0.26 -0.02 0.00 0.00 1.06 0.00 0.00 27.41 28.72 1x4t h HIS 70 CO 0.00 1.62 -0.11 -1.49 0.86 0.00 0.00 177.93 178.81 1x4t h TRP 71 N -0.30 -0.28 -1.48 2.45 4.06 -0.77 0.65 115.95 120.29 1x4t h TRP 71 Ca -0.35 -0.01 0.44 0.00 2.06 0.00 0.00 58.89 61.03 1x4t h TRP 71 Cb 1.77 0.09 -0.08 0.00 -1.00 0.00 0.00 29.16 29.94 1x4t h TRP 71 CO 0.11 -0.17 1.03 0.93 -3.56 0.00 0.00 178.44 176.77 1x4t h GLU 72 N -0.55 0.06 0.12 0.49 5.08 -0.85 0.60 114.58 119.52 1x4t h GLU 72 Ca -0.03 -0.00 -0.34 0.00 -1.00 0.00 0.00 59.36 57.98 1x4t h GLU 72 Cb 0.23 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.45 1x4t h GLU 72 CO 0.05 0.04 -1.83 0.28 -1.00 0.00 0.00 179.01 176.55 1x4t h VAL 73 N 0.06 0.80 0.00 3.13 2.07 -1.63 -3.23 116.25 117.45 1x4t h VAL 73 Ca 0.77 -2.50 -0.01 0.00 0.82 0.00 0.00 66.70 65.77 1x4t h VAL 73 Cb 2.79 2.59 -0.00 0.00 -1.52 0.00 0.00 31.29 35.15 1x4t h VAL 73 CO -0.15 0.82 -0.04 -0.09 0.02 0.00 0.00 177.57 178.13 1x4t h ARG 74 N 0.07 0.00 -0.04 1.57 9.65 0.57 -1.63 114.38 124.56 1x4t h ARG 74 Ca -0.36 0.00 -0.13 0.00 -1.10 0.00 0.00 59.98 58.40 1x4t h ARG 74 Cb 2.04 0.00 -0.01 0.00 -1.39 0.00 0.00 29.97 30.61 1x4t h ARG 74 CO 0.12 0.04 -0.55 0.82 2.80 0.00 0.00 179.97 183.19 1x4t h ILE 75 N 0.00 1.38 0.04 1.20 2.04 -0.97 -2.91 117.51 118.29 1x4t h ILE 75 Ca -0.00 -1.88 -0.15 0.00 1.00 0.00 0.00 64.86 63.83 1x4t h ILE 75 Cb 0.21 1.97 -0.01 0.00 -0.74 0.00 0.00 36.82 38.25 1x4t h ILE 75 CO 0.00 0.55 -0.78 0.50 0.00 0.00 0.00 178.15 178.42 1x4t h LYS 76 N 0.10 0.09 0.00 2.37 3.64 -1.37 0.44 116.57 121.84 1x4t h LYS 76 Ca -0.00 -0.16 0.00 0.00 -1.27 0.00 0.00 60.65 59.22 1x4t h LYS 76 Cb 1.00 0.06 0.00 0.00 -0.41 0.00 0.00 32.23 32.88 1x4t h LYS 76 CO 0.08 1.08 0.19 0.93 -2.27 0.00 0.00 179.45 179.45 1x4t h GLU 77 N -0.76 0.00 0.00 1.90 5.08 -1.46 0.26 114.58 119.59 1x4t h GLU 77 Ca -0.19 0.00 -0.21 0.00 -1.00 0.00 0.00 59.36 57.97 1x4t h GLU 77 Cb 1.34 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 30.55 1x4t h GLU 77 CO -0.03 0.00 -1.56 1.28 -1.00 0.00 0.00 179.01 177.71 1x4t n LEU 78 N -2.70 0.80 0.00 1.33 4.77 -1.10 -4.96 117.00 115.14 1x4t n LEU 78 Ca -0.02 0.36 0.00 0.00 -0.03 0.00 0.00 56.01 56.32 1x4t n LEU 78 Cb 0.23 0.12 0.00 0.00 -2.33 0.00 0.00 43.42 41.44 1x4t n LEU 78 CO 0.13 0.22 0.00 0.61 -1.33 0.00 0.00 177.39 177.03 1x4t n GLY 79 N 1.45 1.28 0.00 -0.72 0.00 0.89 -4.97 105.19 103.12 1x4t n GLY 79 Ca -0.13 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.89 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 5.81 3.77 -0.02 0.00 0.16 -4.98 105.19 109.93 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 1.64 3.79 -0.59 1.61 0.04 -1.26 -4.35 135.00 135.88 1x4t s PRO 81 Ca 0.00 1.78 -0.20 0.00 0.04 0.00 0.00 61.00 62.62 1x4t s PRO 81 Cb 0.00 -2.44 0.09 0.00 0.04 0.00 0.00 34.50 32.19 1x4t s PRO 81 CO 0.00 -0.53 0.75 0.34 0.04 0.00 0.00 177.00 177.61 1x4t s ASP 82 N -1.33 6.19 -0.11 6.66 -1.08 -1.26 -3.54 116.67 122.20 1x4t s ASP 82 Ca 0.63 -1.19 0.16 0.00 -0.52 0.00 0.00 52.55 51.62 1x4t s ASP 82 Cb -0.29 -2.33 -0.24 0.00 -1.46 0.00 0.00 42.92 38.61 1x4t s ASP 82 CO 0.35 -1.15 0.38 -1.22 0.52 0.00 0.00 175.17 174.06 1x4t n TYR 83 N 6.64 0.47 -0.02 -5.34 4.01 -1.22 -4.26 117.16 117.43 1x4t n TYR 83 Ca -0.07 0.17 0.00 0.00 -0.16 0.00 0.00 57.90 57.83 1x4t n TYR 83 Cb 0.44 -1.06 0.30 0.00 -0.31 0.00 0.00 39.34 38.71 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 3.79 0.62 -0.98 2.72 0.00 -1.88 -2.94 103.07 104.40 1x4t h GLY 84 Ca -0.39 -0.34 0.33 0.00 0.00 0.00 0.00 47.33 46.93 1x4t h GLY 84 CO 0.05 0.32 0.24 1.70 0.00 0.00 0.00 176.54 178.85 1x4t h LYS 85 N 0.56 0.01 -6.71 4.80 1.63 -1.92 -3.38 116.57 111.56 1x4t h LYS 85 Ca 0.13 -0.00 -0.49 0.00 -0.85 0.00 0.00 60.65 59.43 1x4t h LYS 85 Cb 0.27 -0.00 -0.03 0.00 -0.60 0.00 0.00 32.23 31.87 1x4t h LYS 85 CO 0.00 0.01 0.15 0.14 -3.45 0.00 0.00 179.45 176.29 1x4t s VAL 86 N -5.81 4.57 -0.36 2.00 -7.23 -1.11 -5.00 120.40 107.46 1x4t s VAL 86 Ca -0.11 1.20 0.06 0.00 -1.81 0.00 0.00 61.98 61.31 1x4t s VAL 86 Cb 0.31 -3.73 0.45 0.00 0.56 0.00 0.00 36.38 33.97 1x4t s VAL 86 CO 0.78 -0.03 1.24 -1.20 -0.31 0.00 0.00 175.10 175.58 1x4t n SER 87 N 0.08 5.11 0.00 4.85 7.64 -1.26 -5.03 113.62 125.01 1x4t n SER 87 Ca 0.02 -3.75 0.00 0.00 1.01 0.00 0.00 58.87 56.15 1x4t n SER 87 Cb 0.52 -0.42 0.00 0.00 -1.01 0.00 0.00 64.21 63.30 1x4t n SER 87 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1x4t n GLY 88 N -0.67 3.32 0.25 0.23 0.00 -1.26 -4.97 105.19 102.09 1x4t n GLY 88 Ca 0.44 -0.91 0.14 0.00 0.00 0.00 0.00 46.02 45.69 1x4t n GLY 88 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1x4t h PRO 89 N 0.00 0.00 0.02 1.61 0.13 -2.02 -3.17 132.00 128.57 1x4t h PRO 89 Ca 0.00 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 65.13 1x4t h PRO 89 Cb 0.00 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.13 1x4t h PRO 89 CO 0.00 0.12 -0.01 1.03 -0.23 0.00 0.00 178.00 178.90 1x4t h SER 90 N 0.00 -0.03 -0.80 1.44 0.87 -2.03 -3.40 113.55 109.61 1x4t h SER 90 Ca -0.00 -0.36 -0.34 0.00 -1.23 0.00 0.00 61.79 59.86 1x4t h SER 90 Cb 0.58 0.01 -0.03 0.00 -0.44 0.00 0.00 62.40 62.52 1x4t h SER 90 CO 0.01 0.35 1.29 -0.24 -0.53 0.00 0.00 176.83 177.71 1x4t n SER 91 N -4.93 1.38 0.00 6.23 2.88 -1.20 -5.18 113.62 112.81 1x4t n SER 91 Ca -0.08 -0.64 0.00 0.00 -1.33 0.00 0.00 58.87 56.82 1x4t n SER 91 Cb 0.20 -1.36 0.00 0.00 -0.75 0.00 0.00 64.21 62.30 1x4t n SER 91 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42