#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 0.00 0.25 2.12 3.00 -1.26 -2.12 118.16 120.15 1a0a n LYS 1 Ca 0.00 0.00 0.13 0.00 -0.00 0.00 0.00 58.31 58.44 1a0a n LYS 1 Cb 0.00 -0.99 0.62 0.00 0.00 0.00 0.00 35.03 34.66 1a0a n LYS 1 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1a0a h ARG 2 N 0.03 0.00 -0.93 1.64 2.47 -2.04 0.44 114.38 115.99 1a0a h ARG 2 Ca 0.00 0.00 0.15 0.00 -1.26 0.00 0.00 59.98 58.87 1a0a h ARG 2 Cb 0.00 0.00 -0.09 0.00 -1.65 0.00 0.00 29.97 28.23 1a0a h ARG 2 CO 0.00 0.15 0.54 1.05 0.56 0.00 0.00 179.97 182.27 1a0a h GLU 3 N 0.00 0.76 0.03 0.04 4.11 -1.87 -0.03 114.58 117.62 1a0a h GLU 3 Ca -0.00 -0.05 -0.25 0.00 0.07 0.00 0.00 59.36 59.13 1a0a h GLU 3 Cb 0.54 -0.17 -0.03 0.00 0.50 0.00 0.00 28.75 29.59 1a0a h GLU 3 CO 0.02 0.50 -1.36 1.03 0.07 0.00 0.00 179.01 179.27 1a0a h SER 4 N 0.78 0.11 -0.97 3.06 0.87 -1.64 -3.38 113.55 112.40 1a0a h SER 4 Ca 0.50 -0.64 0.28 0.00 -1.23 0.00 0.00 61.79 60.70 1a0a h SER 4 Cb 0.65 -0.04 -0.04 0.00 -0.44 0.00 0.00 62.40 62.53 1a0a h SER 4 CO -0.33 1.55 1.15 1.57 -0.53 0.00 0.00 176.83 180.24 1a0a n HIS 5 N -4.22 0.00 0.00 2.24 -0.00 0.15 0.17 115.22 113.56 1a0a n HIS 5 Ca -0.31 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.41 1a0a n HIS 5 Cb 0.76 -0.24 0.00 0.00 -0.00 0.00 0.00 29.99 30.51 1a0a n HIS 5 CO 0.00 0.00 0.00 1.63 -0.00 0.00 0.00 176.34 177.97 1a0a n LYS 6 N -3.12 0.00 -0.52 1.57 5.02 -0.08 0.53 118.16 121.56 1a0a n LYS 6 Ca 0.22 0.29 0.43 0.00 -2.02 0.00 0.00 58.31 57.23 1a0a n LYS 6 Cb 1.44 -0.84 0.71 0.00 -0.02 0.00 0.00 35.03 36.32 1a0a n LYS 6 CO 0.00 0.00 0.00 0.72 -0.52 0.00 0.00 177.40 177.60 1a0a n HIS 7 N -1.38 0.55 0.00 2.13 8.25 0.45 -1.40 115.22 123.82 1a0a n HIS 7 Ca 0.00 0.55 0.00 0.00 -0.26 0.00 0.00 57.72 58.01 1a0a n HIS 7 Cb 0.00 -1.01 0.00 0.00 1.12 0.00 0.00 29.99 30.10 1a0a n HIS 7 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1a0a n ALA 8 N -2.61 0.00 0.00 -1.41 0.00 0.40 -3.18 120.51 113.71 1a0a n ALA 8 Ca 0.41 -0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.85 1a0a n ALA 8 Cb 1.67 0.00 0.00 0.00 0.00 0.00 0.00 19.45 21.12 1a0a n ALA 8 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1a0a n GLU 9 N -1.49 0.00 -0.14 0.00 -0.58 0.19 0.11 120.64 118.73 1a0a n GLU 9 Ca 0.00 0.00 -0.28 0.00 -0.42 0.00 0.00 57.16 56.46 1a0a n GLU 9 Cb 0.00 -1.03 -0.10 0.00 -0.57 0.00 0.00 31.44 29.74 1a0a n GLU 9 CO 0.00 0.00 0.00 0.94 -0.48 0.00 0.00 177.13 177.59 1a0a n GLN 10 N -0.41 0.60 -0.20 3.49 0.00 -0.49 -2.67 117.38 117.70 1a0a n GLN 10 Ca 0.00 0.26 -0.04 0.00 -0.00 0.00 0.00 57.00 57.22 1a0a n GLN 10 Cb 0.00 -1.51 0.06 0.00 0.00 0.00 0.00 30.24 28.80 1a0a n GLN 10 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 1a0a h ALA 11 N -0.86 0.75 0.30 1.69 0.00 0.84 0.26 119.26 122.25 1a0a h ALA 11 Ca -0.68 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.22 1a0a h ALA 11 Cb 1.64 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 19.30 1a0a h ALA 11 CO -0.38 0.02 -0.16 -0.09 0.00 0.00 0.00 179.25 178.64 1a0a h ARG 12 N 0.63 -0.41 -0.12 0.00 9.65 -0.99 -1.49 114.38 121.66 1a0a h ARG 12 Ca 0.24 0.03 0.03 0.00 -1.10 0.00 0.00 59.98 59.19 1a0a h ARG 12 Cb 0.09 0.09 -0.00 0.00 -1.39 0.00 0.00 29.97 28.76 1a0a h ARG 12 CO -0.13 -0.27 0.48 -0.09 2.80 0.00 0.00 179.97 182.75 1a0a h ARG 13 N -0.42 0.00 -0.18 0.20 9.65 -1.27 0.34 114.38 122.70 1a0a h ARG 13 Ca -0.04 0.00 -0.10 0.00 -1.10 0.00 0.00 59.98 58.74 1a0a h ARG 13 Cb 0.33 0.00 -0.00 0.00 -1.39 0.00 0.00 29.97 28.91 1a0a h ARG 13 CO 0.06 0.00 -0.26 -2.95 2.80 0.00 0.00 179.97 179.62 1a0a h ASN 14 N 0.00 0.54 -0.48 -3.80 -1.07 0.48 -3.14 115.58 108.11 1a0a h ASN 14 Ca 0.06 -0.52 0.10 0.00 0.07 0.00 0.00 56.30 56.00 1a0a h ASN 14 Cb 1.01 -0.15 -0.10 0.00 -2.07 0.00 0.00 38.32 37.01 1a0a h ASN 14 CO -0.00 0.95 -0.19 -0.09 0.07 0.00 0.00 177.43 178.17 1a0a h ARG 15 N 0.14 -0.08 0.00 4.14 2.43 0.63 0.68 114.38 122.32 1a0a h ARG 15 Ca 0.02 0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.19 1a0a h ARG 15 Cb 0.83 0.02 0.00 0.00 -0.42 0.00 0.00 29.97 30.40 1a0a h ARG 15 CO 0.06 -0.06 0.65 1.25 -1.51 0.00 0.00 179.97 180.37 1a0a h LEU 16 N -0.09 0.00 0.00 3.80 7.12 -1.55 -1.93 115.31 122.66 1a0a h LEU 16 Ca 0.23 0.00 0.00 0.00 0.13 0.00 0.00 57.88 58.24 1a0a h LEU 16 Cb 0.44 0.00 0.00 0.00 -0.53 0.00 0.00 40.66 40.57 1a0a h LEU 16 CO -0.54 0.00 -0.36 0.00 -0.13 0.00 0.00 178.44 177.41 1a0a n ALA 17 N -1.66 0.32 -0.31 1.25 0.00 0.23 -3.31 120.51 117.02 1a0a n ALA 17 Ca -0.01 -0.38 -0.03 0.00 0.00 0.00 0.00 53.44 53.03 1a0a n ALA 17 Cb 0.68 0.01 0.01 0.00 0.00 0.00 0.00 19.45 20.14 1a0a n ALA 17 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.50 178.83 1a0a n VAL 18 N -3.49 -0.45 0.00 0.00 0.24 -0.70 0.24 118.33 114.17 1a0a n VAL 18 Ca -0.05 1.89 0.00 0.00 -2.04 0.00 0.00 64.34 64.14 1a0a n VAL 18 Cb 0.19 -2.45 0.00 0.00 -1.47 0.00 0.00 33.84 30.11 1a0a n VAL 18 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1a0a n ALA 19 N -3.54 -0.34 -0.48 2.33 0.00 -1.03 -0.41 120.51 117.04 1a0a n ALA 19 Ca 0.07 0.00 0.40 0.00 0.00 0.00 0.00 53.44 53.91 1a0a n ALA 19 Cb 0.29 0.00 0.68 0.00 0.00 0.00 0.00 19.45 20.42 1a0a n ALA 19 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 1a0a n LEU 20 N -1.80 0.19 0.26 0.00 7.94 -0.72 0.35 117.00 123.23 1a0a n LEU 20 Ca 0.00 1.34 -0.15 0.00 -1.11 0.00 0.00 56.01 56.09 1a0a n LEU 20 Cb 0.00 -0.66 -0.08 0.00 0.53 0.00 0.00 43.42 43.21 1a0a n LEU 20 CO 0.00 -1.45 0.55 -0.74 -1.11 0.00 0.00 177.39 174.64 1a0a h HIS 21 N 0.00 -0.62 0.00 1.96 -0.00 0.32 -2.82 115.15 113.99 1a0a h HIS 21 Ca 0.87 -0.01 0.00 0.00 -0.00 0.00 0.00 60.37 61.23 1a0a h HIS 21 Cb 2.85 0.21 0.00 0.00 -0.00 0.00 0.00 27.41 30.47 1a0a h HIS 21 CO -0.01 -0.30 0.00 -1.91 -0.00 0.00 0.00 177.93 175.71 1a0a n GLU 22 N -5.30 0.37 -0.01 5.26 0.00 1.09 -1.27 120.64 120.79 1a0a n GLU 22 Ca -0.11 0.00 -0.01 0.00 0.00 0.00 0.00 57.16 57.04 1a0a n GLU 22 Cb 0.31 -1.20 -0.00 0.00 0.00 0.00 0.00 31.44 30.55 1a0a n GLU 22 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.13 177.02 1a0a n LEU 23 N 0.36 0.20 0.14 4.31 7.94 -0.62 -4.42 117.00 124.90 1a0a n LEU 23 Ca 0.00 0.03 0.15 0.00 -1.11 0.00 0.00 56.01 55.08 1a0a n LEU 23 Cb 0.10 -0.44 0.70 0.00 0.53 0.00 0.00 43.42 44.30 1a0a n LEU 23 CO 0.00 -0.48 1.13 0.00 -1.11 0.00 0.00 177.39 176.93 1a0a h ALA 24 N -1.58 2.19 -1.38 1.96 0.00 -1.63 0.14 119.26 118.96 1a0a h ALA 24 Ca 0.00 -0.01 0.40 0.00 0.00 0.00 0.00 54.91 55.30 1a0a h ALA 24 Cb 0.09 0.02 -0.06 0.00 0.00 0.00 0.00 17.79 17.85 1a0a h ALA 24 CO 0.00 -0.33 1.29 -1.13 0.00 0.00 0.00 179.25 179.08 1a0a n SER 25 N -4.35 0.00 -1.45 0.00 3.41 -0.40 -0.08 113.62 110.76 1a0a n SER 25 Ca 0.03 0.84 -0.03 0.00 -0.26 0.00 0.00 58.87 59.45 1a0a n SER 25 Cb 0.35 -0.34 -0.02 0.00 -0.26 0.00 0.00 64.21 63.94 1a0a n SER 25 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 1a0a n LEU 26 N -3.47 -0.44 -4.56 1.04 7.99 0.26 -5.02 117.00 112.80 1a0a n LEU 26 Ca 0.31 -2.22 -0.40 0.00 -0.01 0.00 0.00 56.01 53.69 1a0a n LEU 26 Cb 1.70 0.04 -0.03 0.00 -0.11 0.00 0.00 43.42 45.02 1a0a n LEU 26 CO 0.31 1.26 1.46 -0.51 -1.51 0.00 0.00 177.39 178.40 1a0a s ILE 27 N -0.20 3.53 0.34 -0.08 2.07 0.89 -4.80 121.20 122.95 1a0a s ILE 27 Ca 0.11 0.39 0.09 0.00 -1.41 0.00 0.00 60.65 59.83 1a0a s ILE 27 Cb 0.17 -4.13 0.32 0.00 0.13 0.00 0.00 42.46 38.95 1a0a s ILE 27 CO -0.06 -1.00 1.81 -0.65 -1.91 0.00 0.00 174.94 173.12 1a0a h PRO 28 N 13.11 0.66 -5.32 3.50 0.11 -1.88 -3.34 132.00 138.83 1a0a h PRO 28 Ca -0.27 -0.04 -0.01 0.00 0.11 0.00 0.00 66.00 65.79 1a0a h PRO 28 Cb 1.13 -0.15 -0.00 0.00 0.11 0.00 0.00 31.00 32.09 1a0a h PRO 28 CO 1.19 0.44 0.03 0.00 -0.21 0.00 0.00 178.00 179.44 1a0a s ALA 29 N -5.73 0.66 -1.43 -0.75 0.00 -1.26 -4.74 121.76 108.50 1a0a s ALA 29 Ca -0.10 -0.89 0.00 0.00 0.00 0.00 0.00 51.96 50.97 1a0a s ALA 29 Cb 0.24 -4.59 0.00 0.00 0.00 0.00 0.00 23.12 18.77 1a0a s ALA 29 CO 0.80 -6.04 0.46 0.39 0.00 0.00 0.00 175.76 171.37 1a0a n GLU 30 N 8.75 0.64 0.18 0.00 1.02 -1.26 -2.59 120.64 127.39 1a0a n GLU 30 Ca 0.46 0.00 0.12 0.00 -0.02 0.00 0.00 57.16 57.73 1a0a n GLU 30 Cb 0.44 -1.18 0.27 0.00 -0.02 0.00 0.00 31.44 30.94 1a0a n GLU 30 CO 0.00 0.00 0.00 0.11 1.18 0.00 0.00 177.13 178.42 1a0a h TRP 31 N 0.20 0.00 0.00 -0.32 5.08 -1.91 -1.62 115.95 117.38 1a0a h TRP 31 Ca 0.00 0.00 0.00 0.00 1.08 0.00 0.00 58.89 59.97 1a0a h TRP 31 Cb 0.18 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 26.34 1a0a h TRP 31 CO 0.00 0.00 0.00 0.36 -1.28 0.00 0.00 178.44 177.52 1a0a n LYS 32 N -2.80 0.27 -0.12 0.12 -0.00 -1.07 0.97 118.16 115.52 1a0a n LYS 32 Ca 0.04 0.01 -0.15 0.00 -0.00 0.00 0.00 58.31 58.21 1a0a n LYS 32 Cb 0.49 -1.50 -0.13 0.00 -0.00 0.00 0.00 35.03 33.89 1a0a n LYS 32 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.40 178.34 1a0a n GLN 33 N -1.02 0.67 -3.87 -1.58 -0.06 -0.61 -4.87 117.38 106.04 1a0a n GLN 33 Ca 0.06 0.10 -0.30 0.00 -2.00 0.00 0.00 57.00 54.86 1a0a n GLN 33 Cb 0.03 -1.51 -0.12 0.00 -4.06 0.00 0.00 30.24 24.58 1a0a n GLN 33 CO 0.00 0.00 0.00 -1.14 -0.20 0.00 0.00 177.06 175.72 1a0a s GLN 34 N -2.50 2.39 0.02 3.69 2.00 0.27 -5.00 119.66 120.53 1a0a s GLN 34 Ca -0.27 -3.01 -0.23 0.00 -2.00 0.00 0.00 55.36 49.85 1a0a s GLN 34 Cb 0.08 -3.47 0.08 0.00 0.80 0.00 0.00 33.01 30.50 1a0a s GLN 34 CO 0.67 -1.21 1.07 -1.71 -0.50 0.00 0.00 175.29 173.61 1a0a n ASN 35 N 2.55 -1.16 0.17 6.67 5.15 -1.25 -4.93 115.26 122.47 1a0a n ASN 35 Ca 0.13 -1.35 0.00 0.00 -0.60 0.00 0.00 54.58 52.76 1a0a n ASN 35 Cb 0.34 1.82 0.00 0.00 -0.53 0.00 0.00 39.78 41.42 1a0a n ASN 35 CO 0.00 0.00 0.00 0.52 1.40 0.00 0.00 177.26 179.18 1a0a n VAL 36 N -0.77 0.00 -0.01 3.44 0.31 -1.26 -4.70 118.33 115.34 1a0a n VAL 36 Ca 0.03 0.58 -0.00 0.00 -0.01 0.00 0.00 64.34 64.93 1a0a n VAL 36 Cb 0.51 -1.24 -0.00 0.00 -0.91 0.00 0.00 33.84 32.20 1a0a n VAL 36 CO 0.00 0.00 0.00 -1.54 -1.32 0.00 0.00 176.83 173.97 1a0a n SER 37 N -1.55 -0.00 -1.27 4.52 3.41 -1.26 -4.80 113.62 112.66 1a0a n SER 37 Ca 0.00 0.00 0.06 0.00 -0.26 0.00 0.00 58.87 58.67 1a0a n SER 37 Cb 0.58 -0.01 0.26 0.00 -0.26 0.00 0.00 64.21 64.79 1a0a n SER 37 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1a0a n ALA 38 N 0.09 3.06 0.00 7.33 0.00 -1.26 -4.89 120.51 124.84 1a0a n ALA 38 Ca 0.01 -1.17 0.00 0.00 0.00 0.00 0.00 53.44 52.28 1a0a n ALA 38 Cb 0.00 -1.04 0.00 0.00 0.00 0.00 0.00 19.45 18.41 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 0.66 0.00 -3.02 0.00 0.00 -1.26 -5.06 120.51 111.83 1a0a n ALA 39 Ca 0.19 0.00 -0.44 0.00 0.00 0.00 0.00 53.44 53.18 1a0a n ALA 39 Cb 0.73 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 20.14 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 0.00 3.27 0.24 0.00 0.04 -1.26 -4.28 135.00 133.01 1a0a s PRO 40 Ca 0.00 -1.44 0.00 0.00 0.04 0.00 0.00 61.00 59.60 1a0a s PRO 40 Cb 0.00 -4.45 0.00 0.00 0.04 0.00 0.00 34.50 30.09 1a0a s PRO 40 CO 0.00 -1.65 0.00 -1.13 0.04 0.00 0.00 177.00 174.26 1a0a n SER 41 N 6.49 -2.17 0.00 6.66 3.41 -1.26 -5.09 113.62 121.65 1a0a n SER 41 Ca 0.03 0.69 0.00 0.00 -0.26 0.00 0.00 58.87 59.33 1a0a n SER 41 Cb 0.45 2.24 0.00 0.00 -0.26 0.00 0.00 64.21 66.65 1a0a n SER 41 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 1a0a n LYS 42 N -3.18 0.00 0.00 4.33 4.01 -1.26 -4.85 118.16 117.21 1a0a n LYS 42 Ca 0.00 0.00 0.00 0.00 -0.51 0.00 0.00 58.31 57.80 1a0a n LYS 42 Cb 0.00 0.00 0.00 0.00 -0.51 0.00 0.00 35.03 34.52 1a0a n LYS 42 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 1a0a n ALA 43 N -3.00 0.00 0.17 7.82 0.00 -1.26 -1.94 120.51 122.30 1a0a n ALA 43 Ca 0.00 0.00 -0.15 0.00 0.00 0.00 0.00 53.44 53.29 1a0a n ALA 43 Cb 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 19.45 19.37 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 0.00 -0.91 0.00 1.35 -1.97 0.66 112.91 112.05 1a0a h THR 44 Ca 0.00 0.00 0.25 0.00 -0.55 0.00 0.00 66.41 66.11 1a0a h THR 44 Cb 0.00 0.00 -0.14 0.00 -1.73 0.00 0.00 68.15 66.28 1a0a h THR 44 CO 0.00 0.00 0.32 0.74 -0.25 0.00 0.00 175.52 176.33 1a0a h THR 45 N -0.73 0.32 -0.02 6.82 2.02 -1.58 0.82 112.91 120.57 1a0a h THR 45 Ca -0.03 -0.09 -0.13 0.00 0.77 0.00 0.00 66.41 66.94 1a0a h THR 45 Cb 0.68 0.05 -0.02 0.00 -1.74 0.00 0.00 68.15 67.13 1a0a h THR 45 CO -0.15 0.05 -0.60 0.58 0.37 0.00 0.00 175.52 175.76 1a0a h VAL 46 N 0.25 1.42 0.27 3.16 2.07 -0.74 0.87 116.25 123.55 1a0a h VAL 46 Ca 0.59 -2.03 -0.01 0.00 0.82 0.00 0.00 66.70 66.06 1a0a h VAL 46 Cb 1.22 2.08 0.00 0.00 -1.52 0.00 0.00 31.29 33.07 1a0a h VAL 46 CO -0.64 0.59 -0.13 -0.33 0.02 0.00 0.00 177.57 177.08 1a0a h GLU 47 N 0.04 -0.35 0.00 1.57 5.08 0.65 -0.23 114.58 121.34 1a0a h GLU 47 Ca -0.01 0.02 -0.03 0.00 -1.00 0.00 0.00 59.36 58.35 1a0a h GLU 47 Cb 1.07 0.08 -0.00 0.00 0.50 0.00 0.00 28.75 30.40 1a0a h GLU 47 CO 0.08 -0.23 -0.13 0.00 -1.00 0.00 0.00 179.01 177.73 1a0a h ALA 48 N 0.35 1.00 -0.29 3.43 0.00 -0.82 -2.60 119.26 120.32 1a0a h ALA 48 Ca -0.04 -0.12 -0.07 0.00 0.00 0.00 0.00 54.91 54.69 1a0a h ALA 48 Cb 0.29 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.04 1a0a h ALA 48 CO 0.06 0.16 -0.11 0.00 0.00 0.00 0.00 179.25 179.37 1a0a h ALA 49 N 1.87 1.28 0.00 0.00 0.00 0.18 0.57 119.26 123.15 1a0a h ALA 49 Ca -0.00 -0.26 -0.14 0.00 0.00 0.00 0.00 54.91 54.52 1a0a h ALA 49 Cb 0.71 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.35 1a0a h ALA 49 CO 0.02 0.48 -0.65 0.00 0.00 0.00 0.00 179.25 179.09 1a0a h ARG 51 N 0.00 -0.65 -1.62 0.00 3.08 -0.64 0.56 114.38 115.11 1a0a h ARG 51 Ca -0.01 0.04 0.47 0.00 0.07 0.00 0.00 59.98 60.56 1a0a h ARG 51 Cb 1.46 0.15 -0.07 0.00 0.08 0.00 0.00 29.97 31.59 1a0a h ARG 51 CO 0.09 -0.43 1.17 -0.92 -1.07 0.00 0.00 179.97 178.80 1a0a h TYR 52 N -0.67 0.02 0.03 3.04 3.20 -1.59 3.44 116.97 124.44 1a0a h TYR 52 Ca -0.07 0.00 -0.00 0.00 3.14 0.00 0.00 58.73 61.80 1a0a h TYR 52 Cb 0.52 -0.00 0.00 0.00 1.54 0.00 0.00 36.73 38.78 1a0a h TYR 52 CO 0.11 -0.00 -0.01 0.82 -1.64 0.00 0.00 178.16 177.43 1a0a h ILE 53 N 0.00 1.35 -1.08 1.81 2.04 -1.62 -2.06 117.51 117.96 1a0a h ILE 53 Ca 0.78 -1.77 0.32 0.00 1.00 0.00 0.00 64.86 65.19 1a0a h ILE 53 Cb 3.10 2.45 -0.13 0.00 -0.74 0.00 0.00 36.82 41.50 1a0a h ILE 53 CO -0.02 0.42 0.66 -0.09 0.00 0.00 0.00 178.15 179.11 1a0a h ARG 54 N -0.89 0.32 0.58 2.37 9.65 1.16 2.16 114.38 129.73 1a0a h ARG 54 Ca -0.00 -0.02 -0.03 0.00 -1.10 0.00 0.00 59.98 58.83 1a0a h ARG 54 Cb 0.71 -0.07 0.01 0.00 -1.39 0.00 0.00 29.97 29.23 1a0a h ARG 54 CO 0.01 0.21 -0.28 1.25 2.80 0.00 0.00 179.97 183.96 1a0a h HIS 55 N 0.33 -0.72 -1.20 2.20 -0.00 -0.04 -3.19 115.15 112.52 1a0a h HIS 55 Ca 0.70 -0.02 0.34 0.00 -0.00 0.00 0.00 60.37 61.40 1a0a h HIS 55 Cb 1.75 0.24 -0.08 0.00 -0.00 0.00 0.00 27.41 29.33 1a0a h HIS 55 CO -0.01 -0.40 0.83 -0.07 -0.00 0.00 0.00 177.93 178.28 1a0a h LEU 56 N -1.13 0.18 0.00 0.26 3.38 0.37 -0.67 115.31 117.70 1a0a h LEU 56 Ca -0.08 0.05 0.00 0.00 0.09 0.00 0.00 57.88 57.94 1a0a h LEU 56 Cb 0.64 0.02 0.00 0.00 0.09 0.00 0.00 40.66 41.41 1a0a h LEU 56 CO 0.13 0.00 0.00 0.00 0.09 0.00 0.00 178.44 178.66 1a0a n GLN 57 N -4.38 0.77 -1.78 1.13 3.00 0.38 -4.71 117.38 111.78 1a0a n GLN 57 Ca 0.28 0.00 -0.38 0.00 -0.01 0.00 0.00 57.00 56.89 1a0a n GLN 57 Cb 1.20 -1.03 -0.03 0.00 0.00 0.00 0.00 30.24 30.37 1a0a n GLN 57 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.06 176.41 1a0a s GLN 58 N -2.00 2.43 -0.58 -1.09 -0.21 -0.26 -4.92 119.66 113.03 1a0a s GLN 58 Ca 0.02 1.12 0.06 0.00 0.02 0.00 0.00 55.36 56.59 1a0a s GLN 58 Cb 0.01 -4.47 0.29 0.00 1.00 0.00 0.00 33.01 29.84 1a0a s GLN 58 CO 0.02 -2.92 0.82 0.09 -2.12 0.00 0.00 175.29 171.18 1a0a n ASN 59 N 14.11 3.71 -2.65 5.90 5.03 -1.26 -4.79 115.26 135.31 1a0a n ASN 59 Ca 0.29 -3.48 -0.04 0.00 0.87 0.00 0.00 54.58 52.22 1a0a n ASN 59 Cb 0.53 -0.62 0.06 0.00 -1.02 0.00 0.00 39.78 38.73 1a0a n ASN 59 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1a0a n GLY 60 N 0.37 -2.00 3.71 7.41 0.00 -1.26 -5.13 105.19 108.29 1a0a n GLY 60 Ca 0.30 1.29 -0.42 0.00 0.00 0.00 0.00 46.02 47.19 1a0a n GLY 60 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1a0a s SER 61 N 0.44 7.29 0.00 1.61 0.15 -1.26 -5.31 113.70 116.62 1a0a s SER 61 Ca 0.24 1.56 0.08 0.00 0.70 0.00 0.00 55.95 58.53 1a0a s SER 61 Cb 0.18 -2.54 0.49 0.00 -1.71 0.00 0.00 66.02 62.43 1a0a s SER 61 CO -0.08 -0.28 0.94 0.35 1.20 0.00 0.00 173.24 175.37