#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1d2d n VAL 2 N 0.00 -0.45 -3.48 1.12 3.14 -1.26 -5.00 118.33 112.40 1d2d n VAL 2 Ca 0.00 0.47 -0.09 0.00 -2.96 0.00 0.00 64.34 61.76 1d2d n VAL 2 Cb 0.00 -0.71 -0.09 0.00 -1.06 0.00 0.00 33.84 31.98 1d2d n VAL 2 CO 0.00 0.00 0.00 -0.72 -6.46 0.00 0.00 176.83 169.65 1d2d s TYR 3 N -3.59 -0.81 0.00 1.45 1.13 -1.26 -5.00 117.35 109.27 1d2d s TYR 3 Ca 0.00 1.13 0.00 0.00 -1.41 0.00 0.00 57.07 56.79 1d2d s TYR 3 Cb 0.00 0.14 0.00 0.00 -1.10 0.00 0.00 41.96 41.00 1d2d s TYR 3 CO 0.00 -0.61 0.00 -0.25 -2.51 0.00 0.00 175.55 172.18 1d2d n ASP 4 N 5.38 0.00 -0.34 -0.18 8.00 -1.26 -2.79 116.55 125.36 1d2d n ASP 4 Ca -0.06 0.00 0.12 0.00 0.71 0.00 0.00 54.79 55.57 1d2d n ASP 4 Cb 0.50 0.00 0.24 0.00 -0.02 0.00 0.00 41.12 41.84 1d2d n ASP 4 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 1d2d n LYS 5 N 0.00 -0.08 -0.08 -1.24 5.02 -1.26 0.50 118.16 121.02 1d2d n LYS 5 Ca 0.00 1.45 -0.08 0.00 -2.02 0.00 0.00 58.31 57.67 1d2d n LYS 5 Cb 0.00 -2.27 -0.00 0.00 -0.02 0.00 0.00 35.03 32.73 1d2d n LYS 5 CO 0.00 0.00 0.00 0.97 -0.52 0.00 0.00 177.40 177.85 1d2d h ILE 6 N 0.00 0.92 -0.24 -0.18 6.09 -1.90 -2.35 117.51 119.86 1d2d h ILE 6 Ca 0.55 -0.08 -0.13 0.00 -1.37 0.00 0.00 64.86 63.83 1d2d h ILE 6 Cb 1.07 0.68 -0.00 0.00 0.47 0.00 0.00 36.82 39.04 1d2d h ILE 6 CO -0.93 0.04 -0.37 0.00 -3.07 0.00 0.00 178.15 173.83 1d2d h ALA 7 N 1.18 0.36 -0.14 0.18 0.00 -0.02 -1.95 119.26 118.88 1d2d h ALA 7 Ca 0.13 -0.44 0.00 0.00 0.00 0.00 0.00 54.91 54.60 1d2d h ALA 7 Cb 0.10 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.82 1d2d h ALA 7 CO -0.13 0.44 0.00 0.00 0.00 0.00 0.00 179.25 179.56 1d2d n ALA 8 N -2.51 0.00 0.22 0.00 0.00 0.18 -0.80 120.51 117.60 1d2d n ALA 8 Ca -0.05 0.00 0.12 0.00 0.00 0.00 0.00 53.44 53.51 1d2d n ALA 8 Cb 0.52 0.42 0.09 0.00 0.00 0.00 0.00 19.45 20.47 1d2d n ALA 8 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 177.50 176.94 1d2d h GLN 9 N 0.00 0.00 -0.25 0.00 -0.00 -1.63 -3.22 115.11 110.00 1d2d h GLN 9 Ca 0.00 0.00 0.06 0.00 -0.00 0.00 0.00 58.65 58.71 1d2d h GLN 9 Cb 0.00 0.00 -0.06 0.00 -0.00 0.00 0.00 27.48 27.42 1d2d h GLN 9 CO 0.00 0.00 -0.17 0.78 -0.00 0.00 0.00 178.83 179.44 1d2d h GLY 10 N 4.09 0.00 2.00 0.06 0.00 -0.46 -0.56 103.07 108.20 1d2d h GLY 10 Ca 0.00 0.21 -0.08 0.00 0.00 0.00 0.00 47.33 47.46 1d2d h GLY 10 CO 0.00 -0.17 -0.38 1.05 0.00 0.00 0.00 176.54 177.04 1d2d h GLU 11 N -0.16 0.00 -0.22 4.80 4.11 -1.06 -2.76 114.58 119.30 1d2d h GLU 11 Ca 0.14 0.00 0.05 0.00 0.07 0.00 0.00 59.36 59.62 1d2d h GLU 11 Cb 0.37 0.00 -0.07 0.00 0.50 0.00 0.00 28.75 29.54 1d2d h GLU 11 CO -0.35 0.38 -0.39 0.28 0.07 0.00 0.00 179.01 179.00 1d2d h VAL 12 N 0.00 0.17 -0.61 -1.06 2.07 -1.12 0.15 116.25 115.86 1d2d h VAL 12 Ca -0.00 0.00 -0.09 0.00 0.82 0.00 0.00 66.70 67.43 1d2d h VAL 12 Cb 0.70 0.17 -0.02 0.00 -1.52 0.00 0.00 31.29 30.62 1d2d h VAL 12 CO 0.05 0.00 0.03 0.58 0.02 0.00 0.00 177.57 178.25 1d2d h VAL 13 N -0.41 1.26 -0.71 2.57 2.07 -1.41 -0.08 116.25 119.54 1d2d h VAL 13 Ca 0.10 -1.10 0.14 0.00 0.82 0.00 0.00 66.70 66.66 1d2d h VAL 13 Cb 0.59 0.78 -0.10 0.00 -1.52 0.00 0.00 31.29 31.04 1d2d h VAL 13 CO -0.44 0.40 0.22 0.03 0.02 0.00 0.00 177.57 177.80 1d2d h ARG 14 N 0.95 0.33 -0.08 1.57 2.47 -0.97 0.15 114.38 118.81 1d2d h ARG 14 Ca 0.18 -0.02 -0.20 0.00 -1.26 0.00 0.00 59.98 58.68 1d2d h ARG 14 Cb 0.52 -0.08 -0.00 0.00 -1.65 0.00 0.00 29.97 28.76 1d2d h ARG 14 CO 0.02 0.22 -0.77 -0.22 0.56 0.00 0.00 179.97 179.79 1d2d h LYS 15 N 0.34 0.47 0.63 0.04 3.64 -0.44 -2.35 116.57 118.90 1d2d h LYS 15 Ca 0.39 -0.40 -0.02 0.00 -1.27 0.00 0.00 60.65 59.35 1d2d h LYS 15 Cb 0.61 0.09 -0.01 0.00 -0.41 0.00 0.00 32.23 32.51 1d2d h LYS 15 CO -0.44 1.04 -0.46 -0.07 -2.27 0.00 0.00 179.45 177.25 1d2d h LEU 16 N 0.32 -1.21 -1.94 5.20 4.07 0.99 0.15 115.31 122.87 1d2d h LEU 16 Ca -0.04 0.08 0.02 0.00 0.08 0.00 0.00 57.88 58.02 1d2d h LEU 16 Cb 1.36 0.37 -0.01 0.00 1.08 0.00 0.00 40.66 43.47 1d2d h LEU 16 CO 0.14 -0.68 0.08 0.07 -1.08 0.00 0.00 178.44 176.97 1d2d h LYS 17 N -1.05 0.07 0.01 1.13 5.09 -0.89 0.37 116.57 121.30 1d2d h LYS 17 Ca -0.08 -0.00 -0.00 0.00 0.09 0.00 0.00 60.65 60.66 1d2d h LYS 17 Cb 0.88 -0.02 0.00 0.00 0.10 0.00 0.00 32.23 33.19 1d2d h LYS 17 CO 0.03 0.05 -0.01 0.00 -2.09 0.00 0.00 179.45 177.43 1d2d h ALA 18 N 1.94 -0.02 -0.28 0.07 0.00 -0.74 -2.25 119.26 117.98 1d2d h ALA 18 Ca 0.05 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.89 1d2d h ALA 18 Cb 0.10 0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.90 1d2d h ALA 18 CO -0.01 -0.44 0.00 0.39 0.00 0.00 0.00 179.25 179.19 1d2d n GLU 19 N -5.04 1.66 -1.65 0.00 1.02 0.43 -4.97 120.64 112.09 1d2d n GLU 19 Ca -0.08 -1.02 -0.01 0.00 -0.02 0.00 0.00 57.16 56.03 1d2d n GLU 19 Cb 0.10 -1.23 -0.01 0.00 -0.02 0.00 0.00 31.44 30.27 1d2d n GLU 19 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 1d2d n LYS 20 N 0.32 -1.23 -4.37 3.49 5.02 0.12 -5.04 118.16 116.48 1d2d n LYS 20 Ca 0.10 1.28 -0.23 0.00 -2.02 0.00 0.00 58.31 57.44 1d2d n LYS 20 Cb 0.24 -1.91 -0.08 0.00 -0.02 0.00 0.00 35.03 33.27 1d2d n LYS 20 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1d2d n ALA 21 N 0.45 0.65 -1.78 7.82 0.00 -0.78 -4.85 120.51 122.02 1d2d n ALA 21 Ca -0.08 -2.05 -0.37 0.00 0.00 0.00 0.00 53.44 50.93 1d2d n ALA 21 Cb 0.12 1.50 -0.05 0.00 0.00 0.00 0.00 19.45 21.02 1d2d n ALA 21 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 1d2d s PRO 22 N -3.49 4.48 0.42 0.00 0.04 -1.26 -4.82 135.00 130.37 1d2d s PRO 22 Ca 0.29 1.45 0.08 0.00 0.04 0.00 0.00 61.00 62.86 1d2d s PRO 22 Cb 0.01 -2.80 0.88 0.00 0.04 0.00 0.00 34.50 32.63 1d2d s PRO 22 CO 0.21 0.16 2.06 1.57 0.04 0.00 0.00 177.00 181.04 1d2d h LYS 23 N 3.11 0.51 -0.66 4.56 2.10 -2.01 -1.43 116.57 122.76 1d2d h LYS 23 Ca -0.47 -0.03 0.11 0.00 -2.00 0.00 0.00 60.65 58.26 1d2d h LYS 23 Cb 1.20 -0.12 -0.04 0.00 -0.90 0.00 0.00 32.23 32.37 1d2d h LYS 23 CO 0.65 0.34 0.44 0.00 -2.00 0.00 0.00 179.45 178.88 1d2d h ALA 24 N 1.75 2.02 0.09 0.07 0.00 -1.99 -0.43 119.26 120.77 1d2d h ALA 24 Ca 0.15 -0.01 -0.13 0.00 0.00 0.00 0.00 54.91 54.92 1d2d h ALA 24 Cb -0.04 -0.09 0.01 0.00 0.00 0.00 0.00 17.79 17.68 1d2d h ALA 24 CO -0.03 -0.17 -0.59 0.87 0.00 0.00 0.00 179.25 179.32 1d2d h LYS 25 N 0.45 0.20 -0.28 0.00 6.56 -1.66 -2.26 116.57 119.58 1d2d h LYS 25 Ca 0.31 -0.34 0.06 0.00 -1.06 0.00 0.00 60.65 59.62 1d2d h LYS 25 Cb 0.62 0.13 -0.06 0.00 -0.57 0.00 0.00 32.23 32.34 1d2d h LYS 25 CO -0.09 1.16 -0.13 0.28 -2.06 0.00 0.00 179.45 178.61 1d2d h VAL 26 N -0.58 0.59 -0.29 0.50 2.07 -1.04 0.20 116.25 117.71 1d2d h VAL 26 Ca -0.11 0.00 -0.07 0.00 0.82 0.00 0.00 66.70 67.34 1d2d h VAL 26 Cb 1.44 0.59 -0.02 0.00 -1.52 0.00 0.00 31.29 31.79 1d2d h VAL 26 CO 0.09 0.00 -0.12 0.00 0.02 0.00 0.00 177.57 177.56 1d2d h THR 27 N -0.09 1.23 -0.86 2.57 1.03 -1.21 -1.73 112.91 113.84 1d2d h THR 27 Ca 0.14 -1.00 0.14 0.00 -0.01 0.00 0.00 66.41 65.68 1d2d h THR 27 Cb 0.31 1.14 -0.09 0.00 -1.07 0.00 0.00 68.15 68.44 1d2d h THR 27 CO -0.33 0.33 0.45 -0.08 -0.01 0.00 0.00 175.52 175.88 1d2d h GLU 28 N 0.45 0.65 -0.32 0.00 4.22 -0.39 0.90 114.58 120.09 1d2d h GLU 28 Ca 0.08 -0.04 -0.16 0.00 0.08 0.00 0.00 59.36 59.32 1d2d h GLU 28 Cb 0.48 -0.15 -0.00 0.00 0.50 0.00 0.00 28.75 29.58 1d2d h GLU 28 CO 0.03 0.43 -0.45 0.00 -2.18 0.00 0.00 179.01 176.84 1d2d h ALA 29 N 1.54 0.60 -0.57 2.92 0.00 -0.44 -2.78 119.26 120.53 1d2d h ALA 29 Ca 0.46 -0.48 0.11 0.00 0.00 0.00 0.00 54.91 55.01 1d2d h ALA 29 Cb 0.61 -0.10 -0.11 0.00 0.00 0.00 0.00 17.79 18.19 1d2d h ALA 29 CO -0.34 0.68 -0.19 0.28 0.00 0.00 0.00 179.25 179.67 1d2d h VAL 30 N 0.67 0.35 -0.32 0.00 2.07 -0.02 0.31 116.25 119.31 1d2d h VAL 30 Ca 0.04 0.00 -0.06 0.00 0.82 0.00 0.00 66.70 67.50 1d2d h VAL 30 Cb 1.03 0.35 -0.01 0.00 -1.52 0.00 0.00 31.29 31.14 1d2d h VAL 30 CO 0.10 0.00 -0.04 1.05 0.02 0.00 0.00 177.57 178.70 1d2d h GLU 31 N -0.05 0.59 -0.88 1.57 4.11 -1.28 -1.91 114.58 116.72 1d2d h GLU 31 Ca 0.27 -0.21 0.07 0.00 0.07 0.00 0.00 59.36 59.56 1d2d h GLU 31 Cb 0.47 -0.04 -0.06 0.00 0.50 0.00 0.00 28.75 29.62 1d2d h GLU 31 CO -0.61 0.75 0.57 0.00 0.07 0.00 0.00 179.01 179.79 1d2d h LEU 33 N 0.95 -0.44 -0.06 0.00 3.38 -0.77 0.55 115.31 118.92 1d2d h LEU 33 Ca 0.39 0.01 0.04 0.00 0.09 0.00 0.00 57.88 58.40 1d2d h LEU 33 Cb 0.27 0.11 -0.05 0.00 0.09 0.00 0.00 40.66 41.08 1d2d h LEU 33 CO -0.15 -0.30 -0.26 0.25 0.09 0.00 0.00 178.44 178.07 1d2d h LEU 34 N -0.53 -0.77 0.85 1.67 5.85 -0.34 0.41 115.31 122.46 1d2d h LEU 34 Ca -0.05 0.11 -0.04 0.00 0.84 0.00 0.00 57.88 58.74 1d2d h LEU 34 Cb 0.40 0.33 0.01 0.00 0.37 0.00 0.00 40.66 41.77 1d2d h LEU 34 CO 0.09 -0.31 -0.41 -1.28 -0.34 0.00 0.00 178.44 176.18 1d2d h SER 35 N -0.36 -0.97 -0.90 1.25 0.87 -0.42 -2.83 113.55 110.19 1d2d h SER 35 Ca 0.08 0.03 0.13 0.00 -1.23 0.00 0.00 61.79 60.80 1d2d h SER 35 Cb 0.48 0.25 -0.09 0.00 -0.44 0.00 0.00 62.40 62.60 1d2d h SER 35 CO -0.27 -0.67 0.52 0.25 -0.53 0.00 0.00 176.83 176.13 1d2d h LEU 36 N -1.18 0.71 -0.37 2.23 7.12 0.27 -1.07 115.31 123.01 1d2d h LEU 36 Ca -0.12 0.07 0.08 0.00 0.13 0.00 0.00 57.88 58.04 1d2d h LEU 36 Cb 0.88 -0.06 -0.09 0.00 -0.53 0.00 0.00 40.66 40.86 1d2d h LEU 36 CO 0.19 0.35 -0.30 0.11 -0.13 0.00 0.00 178.44 178.66 1d2d h LYS 37 N 0.79 -0.24 -0.51 1.25 1.57 0.02 0.79 116.57 120.24 1d2d h LYS 37 Ca 0.46 0.02 0.03 0.00 -1.87 0.00 0.00 60.65 59.29 1d2d h LYS 37 Cb 0.54 0.05 -0.03 0.00 0.08 0.00 0.00 32.23 32.88 1d2d h LYS 37 CO -0.30 -0.16 0.34 0.00 -0.57 0.00 0.00 179.45 178.76 1d2d h ALA 38 N 0.79 1.75 -0.12 3.86 0.00 -0.98 -0.72 119.26 123.84 1d2d h ALA 38 Ca 0.17 -0.03 -0.18 0.00 0.00 0.00 0.00 54.91 54.87 1d2d h ALA 38 Cb 0.52 -0.16 -0.00 0.00 0.00 0.00 0.00 17.79 18.15 1d2d h ALA 38 CO -0.51 0.19 -0.68 0.93 0.00 0.00 0.00 179.25 179.18 1d2d h GLU 39 N 0.58 0.51 0.00 0.00 4.39 -0.16 -3.38 114.58 116.52 1d2d h GLU 39 Ca 0.20 -0.39 0.00 0.00 0.34 0.00 0.00 59.36 59.52 1d2d h GLU 39 Cb 0.09 0.07 0.00 0.00 -0.10 0.00 0.00 28.75 28.81 1d2d h GLU 39 CO -0.05 1.01 0.00 0.98 -1.16 0.00 0.00 179.01 179.79 1d2d n TYR 40 N -3.89 0.00 -2.97 4.33 9.36 0.25 -4.74 117.16 119.50 1d2d n TYR 40 Ca -0.04 0.00 -0.15 0.00 3.32 0.00 0.00 57.90 61.03 1d2d n TYR 40 Cb 0.68 0.00 -0.04 0.00 -0.63 0.00 0.00 39.34 39.36 1d2d n TYR 40 CO 0.00 0.00 0.00 0.36 0.22 0.00 0.00 176.86 177.44 1d2d n LYS 41 N -0.09 -0.93 0.00 2.98 2.85 -0.88 -4.80 118.16 117.30 1d2d n LYS 41 Ca 0.00 0.05 0.00 0.00 -1.05 0.00 0.00 58.31 57.31 1d2d n LYS 41 Cb 0.00 -1.65 0.00 0.00 -0.65 0.00 0.00 35.03 32.73 1d2d n LYS 41 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 177.40 177.74 1d2d n GLU 42 N -2.18 0.00 -2.23 -1.58 1.02 -1.26 -4.80 120.64 109.61 1d2d n GLU 42 Ca -0.04 0.44 -0.02 0.00 -0.02 0.00 0.00 57.16 57.51 1d2d n GLU 42 Cb 0.23 -1.21 0.02 0.00 -0.02 0.00 0.00 31.44 30.46 1d2d n GLU 42 CO 0.00 0.00 0.00 0.36 1.18 0.00 0.00 177.13 178.67 1d2d n LYS 43 N -1.82 0.32 0.01 3.49 2.85 -1.26 -5.00 118.16 116.75 1d2d n LYS 43 Ca 0.00 -0.56 0.00 0.00 -1.05 0.00 0.00 58.31 56.70 1d2d n LYS 43 Cb 0.00 0.05 0.00 0.00 -0.65 0.00 0.00 35.03 34.43 1d2d n LYS 43 CO 0.00 0.00 0.00 2.41 -0.05 0.00 0.00 177.40 179.76 1d2d n THR 44 N -0.45 0.00 -0.03 0.58 -1.04 -1.26 -4.59 114.28 107.49 1d2d n THR 44 Ca -0.15 0.00 0.02 0.00 -2.04 0.00 0.00 64.05 61.88 1d2d n THR 44 Cb 0.63 -0.05 -0.11 0.00 -1.82 0.00 0.00 70.33 68.99 1d2d n THR 44 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1d2d n GLY 45 N 1.53 -0.63 2.45 3.41 0.00 -1.26 -5.02 105.19 105.67 1d2d n GLY 45 Ca 0.00 -0.28 -0.03 0.00 0.00 0.00 0.00 46.02 45.71 1d2d n GLY 45 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1d2d n LYS 46 N -2.18 -4.84 -3.31 1.61 4.76 -1.26 -4.49 118.16 108.46 1d2d n LYS 46 Ca -0.10 3.58 -0.13 0.00 -2.87 0.00 0.00 58.31 58.79 1d2d n LYS 46 Cb 0.58 -4.84 0.03 0.00 -1.84 0.00 0.00 35.03 28.96 1d2d n LYS 46 CO 0.00 0.00 0.00 0.39 -1.37 0.00 0.00 177.40 176.42 1d2d n GLU 47 N 1.74 -1.63 -1.07 1.97 4.71 -1.18 -4.84 120.64 120.34 1d2d n GLU 47 Ca -0.21 1.03 -0.36 0.00 -0.01 0.00 0.00 57.16 57.60 1d2d n GLU 47 Cb 0.33 -5.17 0.03 0.00 -1.01 0.00 0.00 31.44 25.62 1d2d n GLU 47 CO 0.00 0.00 0.00 0.98 0.09 0.00 0.00 177.13 178.20 1d2d n TYR 48 N -2.79 -4.18 -3.46 -0.32 9.36 -1.25 -4.89 117.16 109.63 1d2d n TYR 48 Ca -0.07 0.16 -0.43 0.00 3.32 0.00 0.00 57.90 60.88 1d2d n TYR 48 Cb 0.57 -1.50 -0.05 0.00 -0.63 0.00 0.00 39.34 37.73 1d2d n TYR 48 CO 0.00 0.00 0.00 0.08 0.22 0.00 0.00 176.86 177.16 1d2d s VAL 49 N -1.95 4.85 -0.01 2.97 1.01 -1.26 -4.84 120.40 121.17 1d2d s VAL 49 Ca 0.46 -2.27 -0.01 0.00 0.00 0.00 0.00 61.98 60.16 1d2d s VAL 49 Cb -0.30 -4.08 -0.00 0.00 0.00 0.00 0.00 36.38 31.99 1d2d s VAL 49 CO 0.74 -0.92 0.17 1.55 0.00 0.00 0.00 175.10 176.64 1d2d h PRO 50 N 7.94 -0.03 0.00 2.72 0.13 -1.93 -3.50 132.00 137.34 1d2d h PRO 50 Ca -0.05 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.08 1d2d h PRO 50 Cb 1.04 0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.17 1d2d h PRO 50 CO 0.81 -0.02 0.00 0.41 -0.23 0.00 0.00 178.00 178.98 1d2d n GLY 51 N 1.50 -1.42 0.00 1.56 0.00 -1.26 -5.03 105.19 100.54 1d2d n GLY 51 Ca -0.00 0.53 0.00 0.00 0.00 0.00 0.00 46.02 46.55 1d2d n GLY 51 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1d2d n LEU 52 N -3.03 1.49 -3.65 0.99 4.77 -1.26 -4.93 117.00 111.37 1d2d n LEU 52 Ca 0.00 0.27 -0.24 0.00 -0.03 0.00 0.00 56.01 56.01 1d2d n LEU 52 Cb 0.00 -0.23 0.06 0.00 -2.33 0.00 0.00 43.42 40.92 1d2d n LEU 52 CO 0.00 -0.23 0.15 1.21 -1.33 0.00 0.00 177.39 177.19 1d2d n GLU 53 N -1.20 -6.77 -1.98 3.23 2.13 -1.26 -3.76 120.64 111.03 1d2d n GLU 53 Ca 0.00 0.75 -0.02 0.00 0.66 0.00 0.00 57.16 58.55 1d2d n GLU 53 Cb 0.00 -5.70 0.00 0.00 0.27 0.00 0.00 31.44 26.01 1d2d n GLU 53 CO 0.00 0.00 0.00 1.58 -0.41 0.00 0.00 177.13 178.30 1d2d n HIS 54 N -4.67 -1.33 -3.73 4.31 -0.00 -1.24 -4.89 115.22 103.67 1d2d n HIS 54 Ca -0.08 0.55 -0.12 0.00 -0.00 0.00 0.00 57.72 58.07 1d2d n HIS 54 Cb 0.59 -2.45 -0.13 0.00 -0.00 0.00 0.00 29.99 28.00 1d2d n HIS 54 CO 0.00 0.00 0.00 -1.58 -0.00 0.00 0.00 176.34 174.76 1d2d s HIS 55 N -1.38 -0.36 0.00 1.57 2.46 -1.25 -5.14 115.29 111.20 1d2d s HIS 55 Ca 0.07 0.84 0.00 0.00 0.47 0.00 0.00 55.06 56.44 1d2d s HIS 55 Cb -0.02 0.08 0.00 0.00 -0.13 0.00 0.00 32.58 32.51 1d2d s HIS 55 CO 0.28 -0.24 0.46 0.72 -2.47 0.00 0.00 174.74 173.50