#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1a0a n LYS 1 N 0.00 0.56 -0.00 2.12 0.00 -1.26 -4.61 118.16 114.97 1a0a n LYS 1 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.31 1a0a n LYS 1 Cb 0.00 -1.24 0.00 0.00 -0.00 0.00 0.00 35.03 33.79 1a0a n LYS 1 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.40 177.94 1a0a n ARG 2 N 0.51 0.03 0.09 -1.58 3.00 -1.26 0.35 116.66 117.81 1a0a n ARG 2 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.85 57.84 1a0a n ARG 2 Cb 0.22 -1.49 0.00 0.00 0.00 0.00 0.00 32.46 31.20 1a0a n ARG 2 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.63 176.78 1a0a n GLU 3 N 1.10 0.00 0.13 5.56 0.00 -1.26 -4.94 120.64 121.22 1a0a n GLU 3 Ca 0.00 0.00 0.13 0.00 0.00 0.00 0.00 57.16 57.29 1a0a n GLU 3 Cb 0.01 0.00 0.41 0.00 0.00 0.00 0.00 31.44 31.87 1a0a n GLU 3 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.13 177.90 1a0a h SER 4 N 0.00 0.00 -0.33 -1.84 0.02 -1.83 -3.17 113.55 106.41 1a0a h SER 4 Ca 0.00 0.00 0.09 0.00 -0.84 0.00 0.00 61.79 61.04 1a0a h SER 4 Cb 0.00 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.53 1a0a h SER 4 CO 0.00 0.00 0.64 1.12 -1.14 0.00 0.00 176.83 177.45 1a0a h HIS 5 N 0.00 0.00 0.00 3.45 2.07 -0.47 -3.36 115.15 116.84 1a0a h HIS 5 Ca 0.00 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.52 1a0a h HIS 5 Cb 0.67 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.65 1a0a h HIS 5 CO 0.00 0.00 0.00 1.63 -3.07 0.00 0.00 177.93 176.49 1a0a n LYS 6 N -3.17 0.00 -0.23 5.12 5.02 -1.20 0.06 118.16 123.76 1a0a n LYS 6 Ca 0.06 0.00 0.31 0.00 -2.02 0.00 0.00 58.31 56.66 1a0a n LYS 6 Cb 0.77 0.00 0.60 0.00 -0.02 0.00 0.00 35.03 36.37 1a0a n LYS 6 CO 0.00 0.00 0.00 1.25 -0.52 0.00 0.00 177.40 178.13 1a0a h HIS 7 N 0.00 0.00 -0.50 2.13 -0.00 -1.93 0.42 115.15 115.27 1a0a h HIS 7 Ca 0.00 0.00 0.15 0.00 -0.00 0.00 0.00 60.37 60.52 1a0a h HIS 7 Cb 0.00 0.00 -0.02 0.00 -0.00 0.00 0.00 27.41 27.39 1a0a h HIS 7 CO 0.00 0.00 0.45 0.00 -0.00 0.00 0.00 177.93 178.38 1a0a h ALA 8 N 0.91 2.30 -3.00 5.26 0.00 -0.71 0.35 119.26 124.37 1a0a h ALA 8 Ca 0.50 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.39 1a0a h ALA 8 Cb 2.57 0.04 0.00 0.00 0.00 0.00 0.00 17.79 20.39 1a0a h ALA 8 CO -0.01 -0.71 0.00 -1.91 0.00 0.00 0.00 179.25 176.62 1a0a n GLU 9 N -3.94 0.00 -0.12 0.00 4.07 0.15 -3.70 120.64 117.09 1a0a n GLU 9 Ca 0.09 0.00 -0.08 0.00 -0.06 0.00 0.00 57.16 57.11 1a0a n GLU 9 Cb 0.66 -0.65 0.00 0.00 -0.06 0.00 0.00 31.44 31.39 1a0a n GLU 9 CO 0.00 0.00 0.00 0.37 -0.06 0.00 0.00 177.13 177.44 1a0a h GLN 10 N 0.00 0.51 0.00 5.31 5.75 -1.73 1.71 115.11 126.66 1a0a h GLN 10 Ca 0.00 -0.03 0.00 0.00 -0.15 0.00 0.00 58.65 58.47 1a0a h GLN 10 Cb 0.00 -0.11 0.00 0.00 1.07 0.00 0.00 27.48 28.44 1a0a h GLN 10 CO 0.00 0.34 0.26 0.00 -2.65 0.00 0.00 178.83 176.78 1a0a h ALA 11 N 1.15 1.21 0.00 3.38 0.00 -1.15 1.18 119.26 125.03 1a0a h ALA 11 Ca 0.15 0.00 -0.27 0.00 0.00 0.00 0.00 54.91 54.78 1a0a h ALA 11 Cb -0.05 0.00 -0.05 0.00 0.00 0.00 0.00 17.79 17.69 1a0a h ALA 11 CO -0.04 -0.21 -2.04 -2.13 0.00 0.00 0.00 179.25 174.83 1a0a n ARG 12 N -2.39 1.04 -0.02 0.00 0.63 -0.25 -4.53 116.66 111.14 1a0a n ARG 12 Ca -0.01 0.05 0.00 0.00 -0.92 0.00 0.00 57.85 56.97 1a0a n ARG 12 Cb 0.30 -1.38 0.30 0.00 0.45 0.00 0.00 32.46 32.13 1a0a n ARG 12 CO 0.00 0.00 0.00 -0.09 -2.51 0.00 0.00 177.63 175.03 1a0a h ARG 13 N 0.00 0.56 -0.93 -0.14 2.43 1.07 -2.97 114.38 114.40 1a0a h ARG 13 Ca -0.41 -0.10 0.27 0.00 -0.81 0.00 0.00 59.98 58.93 1a0a h ARG 13 Cb 1.78 -0.09 -0.15 0.00 -0.42 0.00 0.00 29.97 31.09 1a0a h ARG 13 CO -0.02 0.54 0.35 -2.95 -1.51 0.00 0.00 179.97 176.38 1a0a h ASN 14 N 0.55 0.16 0.88 -3.80 -1.07 0.11 0.37 115.58 112.79 1a0a h ASN 14 Ca 0.12 0.20 -0.04 0.00 0.07 0.00 0.00 56.30 56.66 1a0a h ASN 14 Cb 0.26 0.24 0.00 0.00 -2.07 0.00 0.00 38.32 36.75 1a0a h ASN 14 CO 0.00 -0.17 -0.48 0.03 0.07 0.00 0.00 177.43 176.87 1a0a h ARG 15 N 0.23 -1.21 -0.84 4.14 3.08 -1.78 -0.57 114.38 117.42 1a0a h ARG 15 Ca 0.63 0.08 0.24 0.00 0.07 0.00 0.00 59.98 61.01 1a0a h ARG 15 Cb 1.36 0.28 -0.03 0.00 0.08 0.00 0.00 29.97 31.65 1a0a h ARG 15 CO -0.66 -0.81 0.69 1.25 -1.07 0.00 0.00 179.97 179.37 1a0a h LEU 16 N -1.26 0.00 0.80 3.04 7.12 -0.48 0.40 115.31 124.94 1a0a h LEU 16 Ca -0.12 0.00 -0.04 0.00 0.13 0.00 0.00 57.88 57.85 1a0a h LEU 16 Cb 0.99 0.00 0.01 0.00 -0.53 0.00 0.00 40.66 41.13 1a0a h LEU 16 CO 0.16 0.00 -0.39 0.00 -0.13 0.00 0.00 178.44 178.08 1a0a h ALA 17 N 1.42 -1.21 0.00 1.25 0.00 0.20 -1.90 119.26 119.02 1a0a h ALA 17 Ca 0.40 -0.24 -0.05 0.00 0.00 0.00 0.00 54.91 55.02 1a0a h ALA 17 Cb 1.77 0.42 -0.01 0.00 0.00 0.00 0.00 17.79 19.97 1a0a h ALA 17 CO -0.00 -1.13 -0.25 -0.39 0.00 0.00 0.00 179.25 177.47 1a0a h VAL 18 N -1.15 0.75 -0.61 0.00 -1.51 -0.22 -0.57 116.25 112.94 1a0a h VAL 18 Ca -0.11 -1.05 0.03 0.00 -1.23 0.00 0.00 66.70 64.34 1a0a h VAL 18 Cb 0.83 1.66 -0.04 0.00 -2.13 0.00 0.00 31.29 31.60 1a0a h VAL 18 CO 0.18 0.25 0.37 0.00 -1.23 0.00 0.00 177.57 177.14 1a0a h ALA 19 N 1.75 0.79 -0.56 5.19 0.00 -0.26 2.69 119.26 128.86 1a0a h ALA 19 Ca -0.00 -0.01 -0.05 0.00 0.00 0.00 0.00 54.91 54.85 1a0a h ALA 19 Cb 0.64 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 18.22 1a0a h ALA 19 CO 0.03 0.10 0.16 1.25 0.00 0.00 0.00 179.25 180.80 1a0a h LEU 20 N 0.73 0.78 -0.26 0.00 7.12 -0.35 -2.36 115.31 120.97 1a0a h LEU 20 Ca 0.25 -0.13 -0.10 0.00 0.13 0.00 0.00 57.88 58.02 1a0a h LEU 20 Cb 0.03 -0.20 -0.00 0.00 -0.53 0.00 0.00 40.66 39.95 1a0a h LEU 20 CO -0.11 0.75 -0.24 0.45 -0.13 0.00 0.00 178.44 179.17 1a0a h HIS 21 N 0.82 0.74 0.00 1.25 3.86 0.28 -2.26 115.15 119.83 1a0a h HIS 21 Ca 0.18 -0.22 -0.00 0.00 -1.16 0.00 0.00 60.37 59.17 1a0a h HIS 21 Cb 0.26 -0.16 -0.00 0.00 1.06 0.00 0.00 27.41 28.58 1a0a h HIS 21 CO 0.02 0.93 -0.02 0.93 0.86 0.00 0.00 177.93 180.65 1a0a h GLU 22 N 0.34 0.00 0.00 2.45 5.08 0.41 0.92 114.58 123.78 1a0a h GLU 22 Ca 0.04 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.40 1a0a h GLU 22 Cb 0.79 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.04 1a0a h GLU 22 CO 0.06 0.02 0.00 1.25 -1.00 0.00 0.00 179.01 179.34 1a0a h LEU 23 N 0.00 0.00 0.00 1.33 5.85 -1.23 -1.62 115.31 119.65 1a0a h LEU 23 Ca -0.00 0.00 -0.25 0.00 0.84 0.00 0.00 57.88 58.47 1a0a h LEU 23 Cb 0.57 0.00 -0.05 0.00 0.37 0.00 0.00 40.66 41.56 1a0a h LEU 23 CO 0.00 0.00 -1.94 0.00 -0.34 0.00 0.00 178.44 176.16 1a0a n ALA 24 N -1.94 1.79 -0.08 1.25 0.00 0.30 -4.22 120.51 117.61 1a0a n ALA 24 Ca 0.02 -0.90 -0.14 0.00 0.00 0.00 0.00 53.44 52.41 1a0a n ALA 24 Cb 0.30 -0.60 -0.03 0.00 0.00 0.00 0.00 19.45 19.12 1a0a n ALA 24 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 1a0a h SER 25 N 0.00 0.96 -0.94 0.00 4.64 0.01 -3.20 113.55 115.02 1a0a h SER 25 Ca -0.32 -0.50 -0.50 0.00 -0.47 0.00 0.00 61.79 60.00 1a0a h SER 25 Cb 1.86 -0.27 -0.29 0.00 -0.31 0.00 0.00 62.40 63.38 1a0a h SER 25 CO 0.04 1.30 0.60 0.18 -0.87 0.00 0.00 176.83 178.07 1a0a n LEU 26 N -4.01 6.56 -4.51 5.97 7.99 -1.05 -4.87 117.00 123.08 1a0a n LEU 26 Ca -0.04 -3.68 -0.31 0.00 -0.01 0.00 0.00 56.01 51.97 1a0a n LEU 26 Cb 0.61 -0.83 -0.12 0.00 -0.11 0.00 0.00 43.42 42.98 1a0a n LEU 26 CO 0.50 1.11 -0.45 -0.51 -1.51 0.00 0.00 177.39 176.52 1a0a s ILE 27 N -3.41 3.09 -0.33 -0.08 2.07 -1.21 -5.06 121.20 116.27 1a0a s ILE 27 Ca 0.56 -1.05 -0.17 0.00 -1.41 0.00 0.00 60.65 58.58 1a0a s ILE 27 Cb 0.47 -2.32 -0.01 0.00 0.13 0.00 0.00 42.46 40.73 1a0a s ILE 27 CO 0.09 0.35 0.47 -2.16 -1.91 0.00 0.00 174.94 171.78 1a0a s PRO 28 N -1.46 3.70 0.18 3.50 0.04 -1.26 -4.96 135.00 134.75 1a0a s PRO 28 Ca 0.16 -0.13 -0.13 0.00 0.04 0.00 0.00 61.00 60.94 1a0a s PRO 28 Cb -0.11 -3.77 0.16 0.00 0.04 0.00 0.00 34.50 30.82 1a0a s PRO 28 CO 0.06 -0.55 1.74 0.00 0.04 0.00 0.00 177.00 178.30 1a0a h ALA 29 N 8.38 0.58 0.00 8.56 0.00 -1.98 0.34 119.26 135.14 1a0a h ALA 29 Ca -0.29 0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.69 1a0a h ALA 29 Cb 1.13 0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.97 1a0a h ALA 29 CO 0.74 -0.23 0.35 0.93 0.00 0.00 0.00 179.25 181.04 1a0a h GLU 30 N 0.33 0.00 0.02 0.00 4.39 -2.05 -0.05 114.58 117.22 1a0a h GLU 30 Ca 0.23 0.00 -0.00 0.00 0.34 0.00 0.00 59.36 59.93 1a0a h GLU 30 Cb 0.25 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.90 1a0a h GLU 30 CO -0.25 0.00 -0.01 2.35 -1.16 0.00 0.00 179.01 179.95 1a0a h TRP 31 N 0.00 -0.02 0.00 4.33 7.01 -0.75 -3.38 115.95 123.13 1a0a h TRP 31 Ca 0.00 -0.00 0.00 0.00 2.11 0.00 0.00 58.89 61.00 1a0a h TRP 31 Cb 0.70 0.01 0.00 0.00 -2.10 0.00 0.00 29.16 27.77 1a0a h TRP 31 CO 0.00 -0.01 0.00 1.63 -2.79 0.00 0.00 178.44 177.27 1a0a n LYS 32 N -2.45 0.00 0.22 2.65 4.76 -0.03 -0.28 118.16 123.04 1a0a n LYS 32 Ca -0.00 0.00 0.13 0.00 -2.87 0.00 0.00 58.31 55.57 1a0a n LYS 32 Cb 0.01 0.00 0.75 0.00 -1.84 0.00 0.00 35.03 33.95 1a0a n LYS 32 CO 0.00 0.00 0.00 0.37 -1.37 0.00 0.00 177.40 176.40 1a0a h GLN 33 N 0.00 0.00 0.06 1.97 4.15 -1.75 0.07 115.11 119.62 1a0a h GLN 33 Ca 0.00 0.00 -0.00 0.00 0.77 0.00 0.00 58.65 59.42 1a0a h GLN 33 Cb 0.00 0.00 0.00 0.00 0.21 0.00 0.00 27.48 27.69 1a0a h GLN 33 CO 0.00 0.00 -0.03 1.96 -1.93 0.00 0.00 178.83 178.83 1a0a h GLN 34 N 0.00 -0.08 -6.69 1.69 4.20 -0.94 -3.44 115.11 109.85 1a0a h GLN 34 Ca 0.05 0.01 -0.52 0.00 0.06 0.00 0.00 58.65 58.24 1a0a h GLN 34 Cb 0.23 0.02 0.04 0.00 0.30 0.00 0.00 27.48 28.06 1a0a h GLN 34 CO -0.00 0.42 0.66 0.54 -0.67 0.00 0.00 178.83 179.77 1a0a s ASN 35 N -5.63 6.88 0.13 1.46 2.20 0.01 -4.94 114.94 115.05 1a0a s ASN 35 Ca -0.15 2.43 -0.33 0.00 -0.94 0.00 0.00 52.86 53.87 1a0a s ASN 35 Cb 0.01 -2.61 -0.12 0.00 -2.00 0.00 0.00 41.25 36.53 1a0a s ASN 35 CO 0.62 -0.53 1.73 0.52 -2.94 0.00 0.00 177.10 176.50 1a0a n VAL 36 N 2.50 0.19 -1.92 3.54 0.31 -1.26 -4.88 118.33 116.81 1a0a n VAL 36 Ca 0.06 -0.03 -0.42 0.00 -0.01 0.00 0.00 64.34 63.93 1a0a n VAL 36 Cb 0.43 -1.86 -0.03 0.00 -0.91 0.00 0.00 33.84 31.46 1a0a n VAL 36 CO 0.00 0.00 0.00 -0.44 -1.32 0.00 0.00 176.83 175.07 1a0a s SER 37 N 1.96 6.59 -0.22 4.52 0.01 -1.26 -4.85 113.70 120.45 1a0a s SER 37 Ca 0.81 2.54 -0.19 0.00 1.31 0.00 0.00 55.95 60.41 1a0a s SER 37 Cb -0.58 -2.57 -0.17 0.00 0.21 0.00 0.00 66.02 62.91 1a0a s SER 37 CO 0.38 -0.88 0.08 0.00 0.41 0.00 0.00 173.24 173.24 1a0a n ALA 38 N 5.15 0.83 0.00 1.44 0.00 -1.26 -5.09 120.51 121.58 1a0a n ALA 38 Ca 0.15 -0.59 0.00 0.00 0.00 0.00 0.00 53.44 53.00 1a0a n ALA 38 Cb 0.40 -0.40 0.00 0.00 0.00 0.00 0.00 19.45 19.45 1a0a n ALA 38 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1a0a n ALA 39 N -3.59 0.00 -2.41 0.00 0.00 -1.26 -5.03 120.51 108.22 1a0a n ALA 39 Ca -0.34 0.00 -0.38 0.00 0.00 0.00 0.00 53.44 52.72 1a0a n ALA 39 Cb 0.69 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 20.11 1a0a n ALA 39 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 1a0a s PRO 40 N -2.89 3.44 0.19 0.00 0.04 -1.26 -4.73 135.00 129.79 1a0a s PRO 40 Ca 0.00 -1.55 0.08 0.00 0.04 0.00 0.00 61.00 59.57 1a0a s PRO 40 Cb 0.00 -5.41 -0.04 0.00 0.04 0.00 0.00 34.50 29.09 1a0a s PRO 40 CO 0.00 -2.79 -0.16 0.45 0.04 0.00 0.00 177.00 174.53 1a0a s SER 41 N 5.18 2.66 0.00 6.66 0.15 -1.26 -5.03 113.70 122.07 1a0a s SER 41 Ca 0.58 -0.95 -0.01 0.00 0.70 0.00 0.00 55.95 56.27 1a0a s SER 41 Cb 0.02 -0.15 -0.04 0.00 -1.71 0.00 0.00 66.02 64.13 1a0a s SER 41 CO 0.06 -0.10 1.95 1.17 1.20 0.00 0.00 173.24 177.53 1a0a n LYS 42 N -0.08 1.00 0.05 5.44 4.81 -1.26 -2.55 118.16 125.56 1a0a n LYS 42 Ca -0.10 -0.16 0.00 0.00 -0.87 0.00 0.00 58.31 57.18 1a0a n LYS 42 Cb 0.59 -1.24 0.00 0.00 0.02 0.00 0.00 35.03 34.40 1a0a n LYS 42 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1a0a n ALA 43 N 1.77 0.00 0.28 3.14 0.00 -1.26 -4.92 120.51 119.51 1a0a n ALA 43 Ca 0.07 0.00 0.18 0.00 0.00 0.00 0.00 53.44 53.69 1a0a n ALA 43 Cb 0.49 0.00 0.92 0.00 0.00 0.00 0.00 19.45 20.85 1a0a n ALA 43 CO 0.00 0.00 0.00 1.79 0.00 0.00 0.00 177.50 179.29 1a0a h THR 44 N 0.00 0.17 0.00 0.00 1.35 -1.80 -2.52 112.91 110.11 1a0a h THR 44 Ca 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.86 1a0a h THR 44 Cb 0.00 0.79 0.00 0.00 -1.73 0.00 0.00 68.15 67.21 1a0a h THR 44 CO 0.00 0.00 -1.44 0.35 -0.25 0.00 0.00 175.52 174.18 1a0a n THR 45 N -3.27 0.14 0.24 6.82 -2.24 -1.09 -3.28 114.28 111.60 1a0a n THR 45 Ca -0.00 -0.37 0.07 0.00 -2.27 0.00 0.00 64.05 61.48 1a0a n THR 45 Cb 0.31 0.14 0.57 0.00 -2.10 0.00 0.00 70.33 69.25 1a0a n THR 45 CO 0.00 0.00 0.00 0.58 -0.57 0.00 0.00 175.07 175.08 1a0a h VAL 46 N 0.00 1.01 -0.06 2.28 2.07 -1.72 0.11 116.25 119.95 1a0a h VAL 46 Ca 0.00 -0.49 0.03 0.00 0.82 0.00 0.00 66.70 67.05 1a0a h VAL 46 Cb 0.86 1.27 -0.03 0.00 -1.52 0.00 0.00 31.29 31.87 1a0a h VAL 46 CO 0.00 0.14 -0.12 -0.33 0.02 0.00 0.00 177.57 177.28 1a0a h GLU 47 N 0.00 -0.16 -0.01 1.57 3.07 -1.55 -3.14 114.58 114.36 1a0a h GLU 47 Ca -0.00 0.01 0.01 0.00 -0.50 0.00 0.00 59.36 58.88 1a0a h GLU 47 Cb 0.26 0.04 -0.02 0.00 -0.84 0.00 0.00 28.75 28.19 1a0a h GLU 47 CO 0.02 -0.11 -0.07 0.00 -1.40 0.00 0.00 179.01 177.45 1a0a h ALA 48 N 0.85 -0.06 0.00 3.43 0.00 -0.93 -2.78 119.26 119.77 1a0a h ALA 48 Ca 0.06 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.98 1a0a h ALA 48 Cb 0.25 0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.17 1a0a h ALA 48 CO -0.16 -0.56 0.37 0.00 0.00 0.00 0.00 179.25 178.91 1a0a h ALA 49 N 0.89 1.37 0.18 0.00 0.00 -1.23 0.59 119.26 121.05 1a0a h ALA 49 Ca 0.03 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.93 1a0a h ALA 49 Cb 0.15 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.95 1a0a h ALA 49 CO -0.08 -0.37 -0.08 0.00 0.00 0.00 0.00 179.25 178.72 1a0a h ARG 51 N -0.97 -0.06 0.30 0.00 2.47 0.15 1.31 114.38 117.57 1a0a h ARG 51 Ca -0.02 0.00 -0.01 0.00 -1.26 0.00 0.00 59.98 58.69 1a0a h ARG 51 Cb 0.44 0.01 -0.02 0.00 -1.65 0.00 0.00 29.97 28.76 1a0a h ARG 51 CO 0.04 -0.04 -0.33 -0.92 0.56 0.00 0.00 179.97 179.28 1a0a h TYR 52 N -0.07 -0.92 0.16 3.04 3.20 -1.60 -1.26 116.97 119.52 1a0a h TYR 52 Ca 0.17 0.01 0.01 0.00 3.14 0.00 0.00 58.73 62.06 1a0a h TYR 52 Cb 0.47 0.36 -0.04 0.00 1.54 0.00 0.00 36.73 39.06 1a0a h TYR 52 CO -0.95 -0.43 -0.44 0.82 -1.64 0.00 0.00 178.16 175.51 1a0a h ILE 53 N -0.64 0.00 -0.97 1.81 2.04 -1.12 0.80 117.51 119.43 1a0a h ILE 53 Ca -0.04 0.00 0.32 0.00 1.00 0.00 0.00 64.86 66.15 1a0a h ILE 53 Cb 0.56 0.00 -0.17 0.00 -0.74 0.00 0.00 36.82 36.47 1a0a h ILE 53 CO -0.06 0.00 0.36 0.03 0.00 0.00 0.00 178.15 178.48 1a0a h ARG 54 N -0.67 0.11 0.00 2.37 2.47 0.16 -2.98 114.38 115.84 1a0a h ARG 54 Ca -0.01 -0.01 0.00 0.00 -1.26 0.00 0.00 59.98 58.70 1a0a h ARG 54 Cb 0.66 -0.03 0.00 0.00 -1.65 0.00 0.00 29.97 28.95 1a0a h ARG 54 CO -0.21 0.07 0.00 1.58 0.56 0.00 0.00 179.97 181.98 1a0a n HIS 55 N -5.26 0.00 -0.33 3.04 -0.00 0.48 -3.94 115.22 109.20 1a0a n HIS 55 Ca 0.30 0.00 0.25 0.00 0.46 0.00 0.00 57.72 58.73 1a0a n HIS 55 Cb 0.97 -0.40 0.39 0.00 -0.12 0.00 0.00 29.99 30.83 1a0a n HIS 55 CO 0.00 0.00 0.00 1.28 0.46 0.00 0.00 176.34 178.08 1a0a n LEU 56 N -1.69 0.01 0.00 0.27 4.77 0.25 -1.70 117.00 118.91 1a0a n LEU 56 Ca 0.00 0.49 0.00 0.00 -0.03 0.00 0.00 56.01 56.47 1a0a n LEU 56 Cb 0.00 -0.24 0.00 0.00 -2.33 0.00 0.00 43.42 40.85 1a0a n LEU 56 CO 0.00 -0.49 0.32 0.00 -1.33 0.00 0.00 177.39 175.89 1a0a n GLN 57 N -2.97 0.00 -1.05 3.23 6.02 -1.14 -3.43 117.38 118.04 1a0a n GLN 57 Ca 0.21 0.32 -0.34 0.00 -0.01 0.00 0.00 57.00 57.18 1a0a n GLN 57 Cb 0.95 -1.14 -0.03 0.00 1.02 0.00 0.00 30.24 31.04 1a0a n GLN 57 CO 0.00 0.00 0.00 1.04 -1.01 0.00 0.00 177.06 177.09 1a0a n GLN 58 N -1.14 2.08 -2.99 -1.09 6.02 -0.69 -4.90 117.38 114.66 1a0a n GLN 58 Ca 0.00 -1.79 -0.42 0.00 -0.01 0.00 0.00 57.00 54.78 1a0a n GLN 58 Cb 0.00 -2.75 -0.05 0.00 1.02 0.00 0.00 30.24 28.45 1a0a n GLN 58 CO 0.00 0.00 0.00 1.21 -1.01 0.00 0.00 177.06 177.26 1a0a s ASN 59 N 3.90 6.56 0.00 1.08 3.04 -1.22 -4.03 114.94 124.27 1a0a s ASN 59 Ca 0.50 0.41 0.00 0.00 0.04 0.00 0.00 52.86 53.81 1a0a s ASN 59 Cb 0.13 -2.38 0.00 0.00 -1.54 0.00 0.00 41.25 37.46 1a0a s ASN 59 CO 0.02 -0.66 0.00 0.61 -3.04 0.00 0.00 177.10 174.03 1a0a n GLY 60 N 4.46 3.35 3.62 1.21 0.00 -1.26 -5.03 105.19 111.53 1a0a n GLY 60 Ca 0.02 0.00 -0.53 0.00 0.00 0.00 0.00 46.02 45.51 1a0a n GLY 60 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1a0a n SER 61 N 0.02 1.87 0.00 1.61 7.64 -1.26 -5.32 113.62 118.18 1a0a n SER 61 Ca 0.00 1.11 0.00 0.00 1.01 0.00 0.00 58.87 60.99 1a0a n SER 61 Cb 0.00 -1.19 0.00 0.00 -1.01 0.00 0.00 64.21 62.01 1a0a n SER 61 CO 0.00 0.00 0.00 0.35 -3.01 0.00 0.00 175.04 172.38