#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1id3 s SER 17 N 0.00 6.61 0.39 1.69 1.04 -1.26 -4.88 113.70 117.28 1id3 s SER 17 Ca 0.00 0.88 0.14 0.00 0.48 0.00 0.00 55.95 57.45 1id3 s SER 17 Cb 0.00 -2.21 0.96 0.00 0.10 0.00 0.00 66.02 64.87 1id3 s SER 17 CO 0.00 -0.07 1.86 0.03 0.98 0.00 0.00 173.24 176.04 1id3 h ARG 18 N 2.54 0.52 -0.06 4.02 3.08 -1.99 1.09 114.38 123.58 1id3 h ARG 18 Ca -0.47 -0.03 0.03 0.00 0.07 0.00 0.00 59.98 59.58 1id3 h ARG 18 Cb 1.17 -0.12 -0.03 0.00 0.08 0.00 0.00 29.97 31.07 1id3 h ARG 18 CO 0.69 0.34 -0.13 0.77 -1.07 0.00 0.00 179.97 180.57 1id3 h SER 19 N 0.53 -0.40 0.23 7.04 0.02 -1.84 -1.32 113.55 117.81 1id3 h SER 19 Ca 0.47 0.07 -0.01 0.00 -0.84 0.00 0.00 61.79 61.47 1id3 h SER 19 Cb 0.98 0.18 0.00 0.00 0.14 0.00 0.00 62.40 63.70 1id3 h SER 19 CO -0.20 -0.18 -0.11 0.00 -1.14 0.00 0.00 176.83 175.20 1id3 h ALA 20 N 0.80 -0.30 0.00 3.77 0.00 -0.34 0.80 119.26 123.99 1id3 h ALA 20 Ca 0.07 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.86 1id3 h ALA 20 Cb 0.29 0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.20 1id3 h ALA 20 CO -0.17 -0.61 0.00 1.63 0.00 0.00 0.00 179.25 180.10 1id3 n LYS 21 N -5.17 0.00 0.00 0.00 5.02 0.33 -1.13 118.16 117.21 1id3 n LYS 21 Ca -0.09 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.20 1id3 n LYS 21 Cb 0.18 -1.21 0.00 0.00 -0.02 0.00 0.00 35.03 33.99 1id3 n LYS 21 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1id3 n ALA 22 N -0.66 0.51 -0.78 7.82 0.00 -0.55 -4.99 120.51 121.86 1id3 n ALA 22 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1id3 n ALA 22 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 1id3 n ALA 22 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1id3 n GLY 23 N 0.26 0.58 3.92 0.00 0.00 -0.28 -5.04 105.19 104.62 1id3 n GLY 23 Ca 0.00 -0.26 -0.30 0.00 0.00 0.00 0.00 46.02 45.46 1id3 n GLY 23 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1id3 s LEU 24 N 0.00 4.31 -0.00 0.99 1.43 0.16 -4.97 118.68 120.59 1id3 s LEU 24 Ca 0.00 0.38 0.17 0.00 -1.03 0.00 0.00 54.13 53.65 1id3 s LEU 24 Cb 0.00 -3.09 -0.20 0.00 0.03 0.00 0.00 46.19 42.93 1id3 s LEU 24 CO 0.00 0.10 0.66 0.41 0.23 0.00 0.00 176.35 177.75 1id3 n THR 25 N 0.05 0.00 -3.06 5.49 -1.04 -1.26 -4.08 114.28 110.38 1id3 n THR 25 Ca -0.04 -0.15 -0.38 0.00 -2.04 0.00 0.00 64.05 61.43 1id3 n THR 25 Cb 0.52 0.84 -0.06 0.00 -1.82 0.00 0.00 70.33 69.81 1id3 n THR 25 CO 0.00 0.00 0.00 -0.36 -0.64 0.00 0.00 175.07 174.07 1id3 s PHE 26 N -2.71 3.82 -0.81 -1.42 0.40 -1.26 -4.95 117.98 111.06 1id3 s PHE 26 Ca 0.04 1.51 -0.25 0.00 -0.60 0.00 0.00 56.93 57.64 1id3 s PHE 26 Cb 0.12 -2.68 -0.16 0.00 0.51 0.00 0.00 43.02 40.81 1id3 s PHE 26 CO 0.70 0.48 2.39 -0.35 0.70 0.00 0.00 175.22 179.14 1id3 n PRO 27 N 1.38 0.51 -0.32 0.24 -0.04 -1.26 -4.71 135.00 130.80 1id3 n PRO 27 Ca -0.06 -0.80 -0.00 0.00 -0.04 0.00 0.00 63.50 62.60 1id3 n PRO 27 Cb 0.50 -3.50 0.17 0.00 -0.04 0.00 0.00 33.50 30.63 1id3 n PRO 27 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 1id3 h VAL 28 N 7.63 1.21 0.42 0.52 2.07 -1.92 -2.00 116.25 124.19 1id3 h VAL 28 Ca 0.00 -0.41 -0.01 0.00 0.82 0.00 0.00 66.70 67.10 1id3 h VAL 28 Cb 1.01 -0.10 -0.03 0.00 -1.52 0.00 0.00 31.29 30.65 1id3 h VAL 28 CO 1.05 0.22 -0.51 1.23 0.02 0.00 0.00 177.57 179.58 1id3 h GLY 29 N 1.20 -1.25 -0.07 2.17 0.00 -1.94 -1.47 103.07 101.71 1id3 h GLY 29 Ca 0.34 0.60 0.01 0.00 0.00 0.00 0.00 47.33 48.29 1id3 h GLY 29 CO -0.09 -0.35 -0.08 -0.09 0.00 0.00 0.00 176.54 175.93 1id3 h ARG 30 N -0.95 -0.05 -0.98 4.80 9.65 -1.87 -1.09 114.38 123.89 1id3 h ARG 30 Ca -0.05 0.00 0.32 0.00 -1.10 0.00 0.00 59.98 59.15 1id3 h ARG 30 Cb 0.85 0.01 -0.15 0.00 -1.39 0.00 0.00 29.97 29.29 1id3 h ARG 30 CO -0.11 -0.03 0.48 0.28 2.80 0.00 0.00 179.97 183.39 1id3 h VAL 31 N -0.05 0.24 0.01 0.20 2.07 -1.33 0.41 116.25 117.80 1id3 h VAL 31 Ca 0.01 -0.08 0.01 0.00 0.82 0.00 0.00 66.70 67.46 1id3 h VAL 31 Cb 0.08 -0.02 -0.01 0.00 -1.52 0.00 0.00 31.29 29.82 1id3 h VAL 31 CO -0.09 0.04 -0.05 -0.74 0.02 0.00 0.00 177.57 176.75 1id3 h HIS 32 N 0.24 -0.13 0.83 1.57 -0.00 -0.10 -0.89 115.15 116.68 1id3 h HIS 32 Ca 0.71 0.00 -0.04 0.00 -0.00 0.00 0.00 60.37 61.05 1id3 h HIS 32 Cb 1.65 0.06 0.00 0.00 -0.00 0.00 0.00 27.41 29.11 1id3 h HIS 32 CO -0.08 -0.08 -0.45 -0.09 -0.00 0.00 0.00 177.93 177.23 1id3 h ARG 33 N -0.09 -1.14 -0.93 5.26 2.43 0.23 -1.92 114.38 118.22 1id3 h ARG 33 Ca 0.02 0.08 0.21 0.00 -0.81 0.00 0.00 59.98 59.48 1id3 h ARG 33 Cb 0.12 0.26 -0.18 0.00 -0.42 0.00 0.00 29.97 29.75 1id3 h ARG 33 CO -0.05 -0.76 -0.14 1.28 -1.51 0.00 0.00 179.97 178.79 1id3 n LEU 34 N -5.35 -0.26 -0.37 3.80 4.77 -0.07 0.15 117.00 119.67 1id3 n LEU 34 Ca -0.15 1.59 -0.02 0.00 -0.03 0.00 0.00 56.01 57.41 1id3 n LEU 34 Cb 0.48 -0.52 0.11 0.00 -2.33 0.00 0.00 43.42 41.17 1id3 n LEU 34 CO 0.34 -1.56 1.29 -0.07 -1.33 0.00 0.00 177.39 176.07 1id3 h LEU 35 N 0.00 1.14 0.54 2.23 3.38 -0.83 -2.15 115.31 119.61 1id3 h LEU 35 Ca 0.49 -0.03 -0.03 0.00 0.09 0.00 0.00 57.88 58.40 1id3 h LEU 35 Cb 0.85 -0.28 0.01 0.00 0.09 0.00 0.00 40.66 41.32 1id3 h LEU 35 CO -0.93 0.82 -0.26 0.03 0.09 0.00 0.00 178.44 178.19 1id3 h ARG 36 N 1.34 -0.69 -1.99 1.13 3.08 0.22 -3.12 114.38 114.34 1id3 h ARG 36 Ca 0.37 0.05 -0.19 0.00 0.07 0.00 0.00 59.98 60.27 1id3 h ARG 36 Cb -0.13 0.16 -0.07 0.00 0.08 0.00 0.00 29.97 30.00 1id3 h ARG 36 CO -0.09 -0.46 -0.23 0.54 -1.07 0.00 0.00 179.97 178.66 1id3 n ARG 37 N -4.72 1.88 0.00 0.04 1.74 0.01 -3.22 116.66 112.38 1id3 n ARG 37 Ca -0.09 -0.99 0.00 0.00 -0.77 0.00 0.00 57.85 56.00 1id3 n ARG 37 Cb 0.28 -1.85 0.00 0.00 -1.02 0.00 0.00 32.46 29.88 1id3 n ARG 37 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1id3 n GLY 38 N 2.13 0.58 2.68 -0.13 0.00 -0.81 -4.86 105.19 104.78 1id3 n GLY 38 Ca 0.36 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 46.34 1id3 n GLY 38 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1id3 n ASN 39 N -0.39 -6.90 0.00 1.61 5.03 -1.20 -5.01 115.26 108.40 1id3 n ASN 39 Ca 0.00 0.26 0.00 0.00 0.87 0.00 0.00 54.58 55.71 1id3 n ASN 39 Cb 0.00 -4.63 0.00 0.00 -1.02 0.00 0.00 39.78 34.13 1id3 n ASN 39 CO 0.00 0.00 0.00 -1.22 -1.83 0.00 0.00 177.26 174.21 1id3 n TYR 40 N -0.81 0.00 -3.90 3.10 4.02 -1.26 -5.11 117.16 113.19 1id3 n TYR 40 Ca 0.06 0.00 -0.09 0.00 -0.01 0.00 0.00 57.90 57.86 1id3 n TYR 40 Cb 0.42 0.00 -0.06 0.00 -0.02 0.00 0.00 39.34 39.68 1id3 n TYR 40 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 1id3 s ALA 41 N -1.58 -0.20 0.06 -0.72 0.00 -1.26 -5.05 121.76 113.00 1id3 s ALA 41 Ca 0.00 -0.72 -0.26 0.00 0.00 0.00 0.00 51.96 50.98 1id3 s ALA 41 Cb 0.00 0.81 -0.17 0.00 0.00 0.00 0.00 23.12 23.76 1id3 s ALA 41 CO 0.00 -0.66 1.57 0.37 0.00 0.00 0.00 175.76 177.04 1id3 h GLN 42 N 2.50 -0.24 -6.01 0.00 4.15 -2.00 -3.45 115.11 110.07 1id3 h GLN 42 Ca -0.32 0.02 -0.59 0.00 0.77 0.00 0.00 58.65 58.53 1id3 h GLN 42 Cb 1.23 0.05 -0.11 0.00 0.21 0.00 0.00 27.48 28.86 1id3 h GLN 42 CO 0.47 -0.06 -0.63 1.03 -1.93 0.00 0.00 178.83 177.71 1id3 s ARG 43 N -5.65 2.04 -0.22 1.69 0.52 -1.26 -5.13 118.95 110.94 1id3 s ARG 43 Ca -0.15 -1.77 -0.02 0.00 -0.52 0.00 0.00 55.73 53.28 1id3 s ARG 43 Cb 0.04 -1.90 0.07 0.00 0.52 0.00 0.00 34.95 33.68 1id3 s ARG 43 CO 0.64 0.14 0.03 0.42 0.02 0.00 0.00 175.30 176.55 1id3 s ILE 44 N -2.53 0.78 0.28 1.52 1.01 -1.26 -5.06 121.20 115.94 1id3 s ILE 44 Ca 0.34 -0.85 -0.27 0.00 0.00 0.00 0.00 60.65 59.88 1id3 s ILE 44 Cb 0.00 -1.30 -0.15 0.00 0.01 0.00 0.00 42.46 41.02 1id3 s ILE 44 CO 0.19 -0.28 0.69 0.61 0.00 0.00 0.00 174.94 176.14 1id3 n GLY 45 N 4.94 -1.19 0.29 6.18 0.00 -1.26 -4.84 105.19 109.31 1id3 n GLY 45 Ca -0.08 0.27 0.04 0.00 0.00 0.00 0.00 46.02 46.24 1id3 n GLY 45 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1id3 h SER 46 N 1.30 0.40 1.18 1.61 4.64 -2.04 -2.98 113.55 117.66 1id3 h SER 46 Ca -0.35 -0.03 -0.12 0.00 -0.47 0.00 0.00 61.79 60.82 1id3 h SER 46 Cb 1.40 -0.10 -0.02 0.00 -0.31 0.00 0.00 62.40 63.36 1id3 h SER 46 CO 0.57 0.34 -0.86 1.23 -0.87 0.00 0.00 176.83 177.24 1id3 h GLY 47 N 0.56 0.00 -0.03 -0.77 0.00 -2.02 -3.38 103.07 97.43 1id3 h GLY 47 Ca 0.12 0.00 0.03 0.00 0.00 0.00 0.00 47.33 47.48 1id3 h GLY 47 CO -0.02 0.00 -0.49 0.00 0.00 0.00 0.00 176.54 176.04 1id3 h ALA 48 N 1.50 -0.77 -0.66 3.60 0.00 -1.88 -0.58 119.26 120.48 1id3 h ALA 48 Ca -0.06 -0.04 0.19 0.00 0.00 0.00 0.00 54.91 54.99 1id3 h ALA 48 Cb 1.43 0.89 -0.03 0.00 0.00 0.00 0.00 17.79 20.09 1id3 h ALA 48 CO 0.05 -1.02 0.50 -1.00 0.00 0.00 0.00 179.25 177.78 1id3 h PRO 49 N -0.57 0.00 0.33 0.00 0.13 -1.74 -0.03 132.00 130.12 1id3 h PRO 49 Ca 0.05 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 65.16 1id3 h PRO 49 Cb 0.67 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.80 1id3 h PRO 49 CO -0.40 0.00 -0.16 0.28 -0.23 0.00 0.00 178.00 177.49 1id3 h VAL 50 N 0.00 0.00 -1.16 1.56 2.07 -1.37 -2.08 116.25 115.27 1id3 h VAL 50 Ca 0.31 -0.34 0.39 0.00 0.82 0.00 0.00 66.70 67.88 1id3 h VAL 50 Cb 1.31 0.00 -0.14 0.00 -1.52 0.00 0.00 31.29 30.94 1id3 h VAL 50 CO -0.00 0.00 0.71 0.22 0.02 0.00 0.00 177.57 178.52 1id3 h TYR 51 N -0.78 0.69 0.00 1.57 3.20 -0.32 0.02 116.97 121.36 1id3 h TYR 51 Ca -0.04 0.03 -0.05 0.00 3.14 0.00 0.00 58.73 61.80 1id3 h TYR 51 Cb 0.34 -0.17 0.00 0.00 1.54 0.00 0.00 36.73 38.44 1id3 h TYR 51 CO 0.04 -0.21 -0.20 1.25 -1.64 0.00 0.00 178.16 177.39 1id3 h LEU 52 N 0.16 0.17 -1.79 2.82 5.85 -1.08 -2.65 115.31 118.80 1id3 h LEU 52 Ca 0.78 -0.80 0.12 0.00 0.84 0.00 0.00 57.88 58.82 1id3 h LEU 52 Cb 2.18 -0.05 -0.03 0.00 0.37 0.00 0.00 40.66 43.13 1id3 h LEU 52 CO -0.51 0.95 0.39 0.74 -0.34 0.00 0.00 178.44 179.66 1id3 h THR 53 N -0.59 0.82 -0.05 1.05 2.02 -0.29 0.40 112.91 116.26 1id3 h THR 53 Ca -0.03 -0.08 -0.02 0.00 0.77 0.00 0.00 66.41 67.05 1id3 h THR 53 Cb 0.98 0.57 -0.00 0.00 -1.74 0.00 0.00 68.15 67.97 1id3 h THR 53 CO 0.04 0.04 -0.06 0.00 0.37 0.00 0.00 175.52 175.91 1id3 h ALA 54 N 1.72 0.08 -0.82 6.16 0.00 -1.28 -1.17 119.26 123.95 1id3 h ALA 54 Ca 0.27 -0.29 0.04 0.00 0.00 0.00 0.00 54.91 54.93 1id3 h ALA 54 Cb 0.74 -0.02 -0.05 0.00 0.00 0.00 0.00 17.79 18.46 1id3 h ALA 54 CO -0.05 -0.11 0.52 0.28 0.00 0.00 0.00 179.25 179.89 1id3 h VAL 55 N -0.34 1.11 -0.39 0.00 2.07 -0.68 -0.64 116.25 117.39 1id3 h VAL 55 Ca 0.01 -0.34 -0.11 0.00 0.82 0.00 0.00 66.70 67.08 1id3 h VAL 55 Cb 0.59 0.02 -0.02 0.00 -1.52 0.00 0.00 31.29 30.36 1id3 h VAL 55 CO 0.01 0.18 -0.19 -0.07 0.02 0.00 0.00 177.57 177.53 1id3 h LEU 56 N 1.00 0.74 0.22 2.57 3.38 -0.25 -2.83 115.31 120.15 1id3 h LEU 56 Ca 0.33 -0.25 -0.01 0.00 0.09 0.00 0.00 57.88 58.04 1id3 h LEU 56 Cb 0.04 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 40.59 1id3 h LEU 56 CO -0.13 0.93 -0.11 -0.08 0.09 0.00 0.00 178.44 179.15 1id3 h GLU 57 N 0.65 -0.29 -0.51 1.13 4.81 -0.62 -2.43 114.58 117.33 1id3 h GLU 57 Ca 0.10 0.02 0.05 0.00 -0.13 0.00 0.00 59.36 59.40 1id3 h GLU 57 Cb 0.68 0.07 -0.07 0.00 0.63 0.00 0.00 28.75 30.06 1id3 h GLU 57 CO 0.05 -0.01 -0.36 -0.92 -0.73 0.00 0.00 179.01 177.03 1id3 h TYR 58 N -0.55 -1.16 -0.60 0.92 3.20 -1.11 -0.57 116.97 117.11 1id3 h TYR 58 Ca -0.03 0.07 0.12 0.00 3.14 0.00 0.00 58.73 62.03 1id3 h TYR 58 Cb 0.41 0.57 -0.10 0.00 1.54 0.00 0.00 36.73 39.15 1id3 h TYR 58 CO 0.01 -0.26 0.05 -0.07 -1.64 0.00 0.00 178.16 176.25 1id3 h LEU 59 N -0.08 -0.16 -0.97 2.82 3.38 -1.52 0.17 115.31 118.94 1id3 h LEU 59 Ca 0.08 0.13 0.12 0.00 0.09 0.00 0.00 57.88 58.31 1id3 h LEU 59 Cb 0.30 0.22 -0.08 0.00 0.09 0.00 0.00 40.66 41.18 1id3 h LEU 59 CO -0.52 -0.07 0.60 0.00 0.09 0.00 0.00 178.44 178.55 1id3 h ALA 60 N 1.52 1.46 -0.06 1.53 0.00 -0.69 -0.68 119.26 122.33 1id3 h ALA 60 Ca 0.31 0.03 -0.08 0.00 0.00 0.00 0.00 54.91 55.17 1id3 h ALA 60 Cb 0.49 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 18.10 1id3 h ALA 60 CO -0.47 0.19 -0.29 0.00 0.00 0.00 0.00 179.25 178.69 1id3 h ALA 61 N 1.53 0.12 -0.45 0.00 0.00 0.39 -1.57 119.26 119.28 1id3 h ALA 61 Ca 0.48 -0.43 0.09 0.00 0.00 0.00 0.00 54.91 55.05 1id3 h ALA 61 Cb 0.49 -0.01 -0.10 0.00 0.00 0.00 0.00 17.79 18.17 1id3 h ALA 61 CO -0.27 0.15 -0.28 1.49 0.00 0.00 0.00 179.25 180.35 1id3 h GLU 62 N -0.20 -0.17 -0.22 0.00 4.57 0.25 0.45 114.58 119.25 1id3 h GLU 62 Ca -0.02 0.01 -0.04 0.00 -1.18 0.00 0.00 59.36 58.14 1id3 h GLU 62 Cb 0.94 0.04 -0.01 0.00 -0.16 0.00 0.00 28.75 29.56 1id3 h GLU 62 CO 0.06 -0.12 -0.00 0.97 -1.18 0.00 0.00 179.01 178.74 1id3 h ILE 63 N -0.18 1.26 -0.93 2.32 2.10 -1.24 -2.51 117.51 118.33 1id3 h ILE 63 Ca 0.20 -0.89 0.19 0.00 1.08 0.00 0.00 64.86 65.44 1id3 h ILE 63 Cb 0.51 1.42 -0.08 0.00 -1.09 0.00 0.00 36.82 37.58 1id3 h ILE 63 CO -0.56 0.28 0.60 -0.07 -1.08 0.00 0.00 178.15 177.32 1id3 h LEU 64 N 0.15 0.55 0.49 2.19 3.38 -0.07 0.56 115.31 122.56 1id3 h LEU 64 Ca 0.06 0.06 -0.02 0.00 0.09 0.00 0.00 57.88 58.06 1id3 h LEU 64 Cb 0.41 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 41.12 1id3 h LEU 64 CO 0.01 0.22 -0.24 -0.08 0.09 0.00 0.00 178.44 178.45 1id3 h GLU 65 N 0.55 -0.64 0.00 1.13 4.22 0.11 -1.02 114.58 118.93 1id3 h GLU 65 Ca 0.50 0.04 -0.05 0.00 0.08 0.00 0.00 59.36 59.93 1id3 h GLU 65 Cb 1.03 0.15 -0.01 0.00 0.50 0.00 0.00 28.75 30.42 1id3 h GLU 65 CO -0.23 -0.34 -0.25 -0.07 -2.18 0.00 0.00 179.01 175.93 1id3 h LEU 66 N -0.89 0.00 0.25 1.64 3.38 -0.91 -2.20 115.31 116.58 1id3 h LEU 66 Ca -0.07 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.89 1id3 h LEU 66 Cb 0.59 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.35 1id3 h LEU 66 CO 0.11 0.25 -0.12 0.00 0.09 0.00 0.00 178.44 178.77 1id3 h ALA 67 N 1.75 -0.34 -0.20 1.53 0.00 0.20 -2.37 119.26 119.82 1id3 h ALA 67 Ca -0.00 -0.19 0.05 0.00 0.00 0.00 0.00 54.91 54.77 1id3 h ALA 67 Cb 0.48 0.13 -0.05 0.00 0.00 0.00 0.00 17.79 18.35 1id3 h ALA 67 CO 0.03 -0.49 -0.13 0.78 0.00 0.00 0.00 179.25 179.44 1id3 h GLY 68 N -0.73 0.02 -0.46 0.00 0.00 -1.04 -0.77 103.07 100.08 1id3 h GLY 68 Ca -0.03 0.16 0.24 0.00 0.00 0.00 0.00 47.33 47.70 1id3 h GLY 68 CO 0.06 -0.14 0.25 3.43 0.00 0.00 0.00 176.54 180.14 1id3 h ASN 69 N -0.12 0.03 -0.70 0.19 2.35 -1.37 1.29 115.58 117.24 1id3 h ASN 69 Ca 0.12 0.20 -0.05 0.00 -0.55 0.00 0.00 56.30 56.01 1id3 h ASN 69 Cb 0.30 0.26 -0.03 0.00 0.05 0.00 0.00 38.32 38.90 1id3 h ASN 69 CO -0.28 -0.16 0.23 0.00 -1.65 0.00 0.00 177.43 175.57 1id3 h ALA 70 N 1.79 0.92 0.31 -0.83 0.00 -0.61 0.20 119.26 121.04 1id3 h ALA 70 Ca 0.56 -0.22 -0.02 0.00 0.00 0.00 0.00 54.91 55.24 1id3 h ALA 70 Cb 1.15 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 18.67 1id3 h ALA 70 CO -0.66 0.59 -0.15 0.00 0.00 0.00 0.00 179.25 179.03 1id3 h ALA 71 N 1.10 -0.42 -0.52 0.00 0.00 0.11 -2.20 119.26 117.33 1id3 h ALA 71 Ca 0.23 -0.14 0.06 0.00 0.00 0.00 0.00 54.91 55.06 1id3 h ALA 71 Cb 0.29 0.16 -0.09 0.00 0.00 0.00 0.00 17.79 18.15 1id3 h ALA 71 CO -0.01 -0.67 -0.55 0.00 0.00 0.00 0.00 179.25 178.03 1id3 h ARG 72 N -0.56 -0.31 -0.83 0.00 3.08 0.16 0.20 114.38 116.14 1id3 h ARG 72 Ca -0.04 0.02 0.22 0.00 0.07 0.00 0.00 59.98 60.25 1id3 h ARG 72 Cb 0.41 0.07 -0.04 0.00 0.08 0.00 0.00 29.97 30.49 1id3 h ARG 72 CO 0.07 -0.20 0.58 -0.44 -1.07 0.00 0.00 179.97 178.91 1id3 h ASP 73 N -0.32 0.11 -0.31 7.04 5.19 -0.45 0.17 116.42 127.85 1id3 h ASP 73 Ca 0.10 0.01 -0.02 0.00 -0.62 0.00 0.00 57.03 56.50 1id3 h ASP 73 Cb 0.57 -0.01 -0.01 0.00 0.18 0.00 0.00 39.33 40.05 1id3 h ASP 73 CO -0.66 0.04 0.03 0.59 -3.12 0.00 0.00 179.24 176.12 1id3 n ASN 74 N -4.35 3.44 -0.14 6.45 3.02 0.65 -4.87 115.26 119.46 1id3 n ASN 74 Ca 0.17 -2.51 -0.02 0.00 -0.03 0.00 0.00 54.58 52.19 1id3 n ASN 74 Cb 0.82 -0.60 -0.01 0.00 -0.61 0.00 0.00 39.78 39.38 1id3 n ASN 74 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 1id3 n LYS 75 N 0.27 -1.46 -3.91 3.52 4.01 0.61 -4.98 118.16 116.22 1id3 n LYS 75 Ca 0.16 0.46 -0.21 0.00 -0.51 0.00 0.00 58.31 58.20 1id3 n LYS 75 Cb 0.77 -4.59 -0.03 0.00 -0.51 0.00 0.00 35.03 30.66 1id3 n LYS 75 CO 0.00 0.00 0.00 0.15 -1.11 0.00 0.00 177.40 176.44 1id3 s LYS 76 N -1.72 2.97 -0.01 1.97 1.02 -0.77 -5.00 119.74 118.20 1id3 s LYS 76 Ca 0.00 -1.08 0.08 0.00 0.02 0.00 0.00 55.97 54.99 1id3 s LYS 76 Cb 0.00 -2.62 -0.11 0.00 -0.52 0.00 0.00 37.83 34.58 1id3 s LYS 76 CO 0.00 0.26 0.23 2.41 -0.92 0.00 0.00 175.35 177.33 1id3 n THR 77 N -1.34 0.00 -3.69 2.17 -1.04 -1.26 -3.48 114.28 105.63 1id3 n THR 77 Ca -0.05 -0.23 -0.38 0.00 -2.04 0.00 0.00 64.05 61.35 1id3 n THR 77 Cb 0.58 0.56 -0.12 0.00 -1.82 0.00 0.00 70.33 69.54 1id3 n THR 77 CO 0.00 0.00 0.00 -0.60 -0.64 0.00 0.00 175.07 173.83 1id3 s ARG 78 N -2.25 2.99 0.03 -2.82 3.52 -1.26 -5.02 118.95 114.14 1id3 s ARG 78 Ca -0.01 -0.94 -0.30 0.00 -0.13 0.00 0.00 55.73 54.35 1id3 s ARG 78 Cb 0.05 -3.52 -0.09 0.00 -1.56 0.00 0.00 34.95 29.83 1id3 s ARG 78 CO 0.32 -0.54 1.97 0.42 -0.81 0.00 0.00 175.30 176.66 1id3 s ILE 79 N 1.52 3.02 0.44 4.11 1.01 -1.26 -4.99 121.20 125.05 1id3 s ILE 79 Ca 0.02 0.02 0.05 0.00 0.00 0.00 0.00 60.65 60.75 1id3 s ILE 79 Cb -0.18 -3.01 -0.06 0.00 0.01 0.00 0.00 42.46 39.21 1id3 s ILE 79 CO 0.04 -0.00 0.01 0.27 0.00 0.00 0.00 174.94 175.26 1id3 s ILE 80 N 4.51 1.76 0.27 2.92 -4.36 -1.26 -5.02 121.20 120.03 1id3 s ILE 80 Ca 0.89 -2.00 0.00 0.00 -0.26 0.00 0.00 60.65 59.28 1id3 s ILE 80 Cb -0.43 -2.77 0.25 0.00 1.25 0.00 0.00 42.46 40.76 1id3 s ILE 80 CO 0.42 0.00 1.75 -0.65 0.24 0.00 0.00 174.94 176.70 1id3 h PRO 81 N 1.66 0.57 -0.99 0.37 0.11 -1.89 -0.73 132.00 131.10 1id3 h PRO 81 Ca -0.44 -0.03 0.13 0.00 0.11 0.00 0.00 66.00 65.77 1id3 h PRO 81 Cb 1.26 -0.13 -0.09 0.00 0.11 0.00 0.00 31.00 32.16 1id3 h PRO 81 CO 0.79 0.38 0.62 -0.09 -0.21 0.00 0.00 178.00 179.49 1id3 h ARG 82 N 0.59 0.90 0.16 1.05 2.43 -1.77 0.36 114.38 118.10 1id3 h ARG 82 Ca 0.48 -0.05 -0.00 0.00 -0.81 0.00 0.00 59.98 59.60 1id3 h ARG 82 Cb 0.74 -0.20 -0.00 0.00 -0.42 0.00 0.00 29.97 30.08 1id3 h ARG 82 CO -0.39 0.60 -0.11 0.45 -1.51 0.00 0.00 179.97 179.01 1id3 h HIS 83 N 0.93 -0.27 0.01 2.20 3.86 -1.47 0.55 115.15 120.95 1id3 h HIS 83 Ca 0.50 -0.00 0.03 0.00 -1.16 0.00 0.00 60.37 59.74 1id3 h HIS 83 Cb 0.57 0.10 -0.05 0.00 1.06 0.00 0.00 27.41 29.09 1id3 h HIS 83 CO -0.00 -0.17 -0.29 -0.07 0.86 0.00 0.00 177.93 178.26 1id3 h LEU 84 N -0.26 -0.85 -2.12 2.43 3.38 -0.70 0.52 115.31 117.71 1id3 h LEU 84 Ca -0.01 0.11 0.05 0.00 0.09 0.00 0.00 57.88 58.12 1id3 h LEU 84 Cb 0.23 0.34 -0.01 0.00 0.09 0.00 0.00 40.66 41.31 1id3 h LEU 84 CO 0.01 -0.35 0.13 -0.61 0.09 0.00 0.00 178.44 177.71 1id3 h GLN 85 N -0.44 0.00 0.24 1.13 5.75 0.03 -1.30 115.11 120.53 1id3 h GLN 85 Ca 0.06 0.00 -0.33 0.00 -0.15 0.00 0.00 58.65 58.23 1id3 h GLN 85 Cb 0.52 0.00 0.04 0.00 1.07 0.00 0.00 27.48 29.10 1id3 h GLN 85 CO -0.24 0.00 -1.45 -0.07 -2.65 0.00 0.00 178.83 174.42 1id3 h LEU 86 N 0.00 0.81 -0.81 -2.39 3.38 0.23 -2.80 115.31 113.72 1id3 h LEU 86 Ca 0.08 -0.92 0.06 0.00 0.09 0.00 0.00 57.88 57.19 1id3 h LEU 86 Cb 0.34 -0.26 -0.06 0.00 0.09 0.00 0.00 40.66 40.77 1id3 h LEU 86 CO -0.00 1.69 0.49 0.00 0.09 0.00 0.00 178.44 180.72 1id3 h ALA 87 N 0.14 1.12 0.53 1.53 0.00 0.79 -2.92 119.26 120.45 1id3 h ALA 87 Ca -0.26 0.00 -0.03 0.00 0.00 0.00 0.00 54.91 54.63 1id3 h ALA 87 Cb 2.12 -0.20 0.01 0.00 0.00 0.00 0.00 17.79 19.72 1id3 h ALA 87 CO 0.26 0.21 -0.26 0.82 0.00 0.00 0.00 179.25 180.28 1id3 h ILE 88 N 0.89 0.25 0.00 0.00 2.04 -1.34 -3.20 117.51 116.15 1id3 h ILE 88 Ca 0.36 -0.44 0.00 0.00 1.00 0.00 0.00 64.86 65.78 1id3 h ILE 88 Cb 0.19 0.36 0.00 0.00 -0.74 0.00 0.00 36.82 36.64 1id3 h ILE 88 CO -0.18 0.04 0.00 0.54 0.00 0.00 0.00 178.15 178.55 1id3 n ARG 89 N -5.28 0.02 -0.36 2.37 5.12 -1.06 -1.97 116.66 115.50 1id3 n ARG 89 Ca -0.10 0.38 0.08 0.00 -1.93 0.00 0.00 57.85 56.27 1id3 n ARG 89 Cb 0.32 -1.55 0.24 0.00 -1.16 0.00 0.00 32.46 30.31 1id3 n ARG 89 CO 0.00 0.00 0.00 0.09 -1.93 0.00 0.00 177.63 175.79 1id3 n ASN 90 N -1.59 3.67 -3.92 0.55 3.02 -1.10 -4.90 115.26 110.99 1id3 n ASN 90 Ca 0.02 -2.38 -0.30 0.00 -0.03 0.00 0.00 54.58 51.88 1id3 n ASN 90 Cb 0.10 -0.41 -0.15 0.00 -0.61 0.00 0.00 39.78 38.71 1id3 n ASN 90 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 1id3 s ASP 91 N -1.23 4.08 0.25 6.41 2.15 -0.87 -4.99 116.67 122.48 1id3 s ASP 91 Ca 0.36 -1.47 -0.00 0.00 0.43 0.00 0.00 52.55 51.87 1id3 s ASP 91 Cb 0.24 -1.21 0.59 0.00 -0.30 0.00 0.00 42.92 42.23 1id3 s ASP 91 CO 0.17 -0.30 1.30 0.47 -0.17 0.00 0.00 175.17 176.64 1id3 n ASP 92 N 4.62 -0.14 0.28 -0.34 8.00 -1.26 -0.27 116.55 127.44 1id3 n ASP 92 Ca -0.07 1.42 -0.11 0.00 0.71 0.00 0.00 54.79 56.74 1id3 n ASP 92 Cb 0.43 -0.50 -0.05 0.00 -0.02 0.00 0.00 41.12 40.98 1id3 n ASP 92 CO 0.00 0.00 0.00 -0.33 -0.39 0.00 0.00 177.20 176.48 1id3 h GLU 93 N 0.00 -0.71 -0.19 -1.24 3.07 -1.94 -3.08 114.58 110.49 1id3 h GLU 93 Ca 0.48 0.05 -0.00 0.00 -0.50 0.00 0.00 59.36 59.39 1id3 h GLU 93 Cb 0.95 0.16 -0.01 0.00 -0.84 0.00 0.00 28.75 29.02 1id3 h GLU 93 CO -0.80 -0.47 0.11 -0.07 -1.40 0.00 0.00 179.01 176.38 1id3 h LEU 94 N -0.90 0.24 -2.19 1.33 3.38 -1.43 -2.22 115.31 113.52 1id3 h LEU 94 Ca -0.07 -0.09 0.03 0.00 0.09 0.00 0.00 57.88 57.84 1id3 h LEU 94 Cb 0.56 -0.06 -0.00 0.00 0.09 0.00 0.00 40.66 41.24 1id3 h LEU 94 CO 0.12 0.26 0.28 -1.13 0.09 0.00 0.00 178.44 178.06 1id3 h ASN 95 N 0.21 0.00 0.13 -0.43 -1.24 0.03 0.16 115.58 114.44 1id3 h ASN 95 Ca 0.07 0.00 -0.29 0.00 0.71 0.00 0.00 56.30 56.79 1id3 h ASN 95 Cb 0.07 0.00 -0.00 0.00 0.73 0.00 0.00 38.32 39.12 1id3 h ASN 95 CO -0.01 0.00 -1.49 0.50 -1.29 0.00 0.00 177.43 175.14 1id3 h LYS 96 N 0.00 0.27 0.00 6.67 3.64 -1.32 -3.07 116.57 122.76 1id3 h LYS 96 Ca 0.06 -0.46 -0.02 0.00 -1.27 0.00 0.00 60.65 58.96 1id3 h LYS 96 Cb 0.61 0.17 -0.00 0.00 -0.41 0.00 0.00 32.23 32.60 1id3 h LYS 96 CO -0.00 1.22 -0.10 1.25 -2.27 0.00 0.00 179.45 179.55 1id3 h LEU 97 N -0.23 0.00 -4.56 5.20 5.85 -0.76 -2.92 115.31 117.89 1id3 h LEU 97 Ca -0.32 0.00 -0.57 0.00 0.84 0.00 0.00 57.88 57.83 1id3 h LEU 97 Cb 1.82 0.00 -0.42 0.00 0.37 0.00 0.00 40.66 42.43 1id3 h LEU 97 CO 0.08 0.10 -0.76 0.18 -0.34 0.00 0.00 178.44 177.69 1id3 n LEU 98 N -3.34 4.48 0.03 2.25 4.77 0.46 -4.80 117.00 120.85 1id3 n LEU 98 Ca -0.01 -5.12 -0.19 0.00 -0.03 0.00 0.00 56.01 50.66 1id3 n LEU 98 Cb 0.29 -0.40 -0.11 0.00 -2.33 0.00 0.00 43.42 40.86 1id3 n LEU 98 CO 0.29 2.20 0.13 1.23 -1.33 0.00 0.00 177.39 179.90 1id3 h GLY 99 N 2.61 0.62 -3.74 -0.72 0.00 -1.41 -3.32 103.07 97.11 1id3 h GLY 99 Ca 0.27 -1.13 -0.58 0.00 0.00 0.00 0.00 47.33 45.88 1id3 h GLY 99 CO 0.83 1.00 0.13 0.70 0.00 0.00 0.00 176.54 179.20 1id3 n ASN 100 N -4.01 6.05 -4.28 0.19 3.02 -1.26 -4.93 115.26 110.04 1id3 n ASN 100 Ca -0.11 -3.77 -0.28 0.00 -0.03 0.00 0.00 54.58 50.39 1id3 n ASN 100 Cb 0.81 -0.70 -0.15 0.00 -0.61 0.00 0.00 39.78 39.13 1id3 n ASN 100 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 1id3 s VAL 101 N -4.55 1.87 -0.14 2.41 1.01 -1.25 -5.14 120.40 114.61 1id3 s VAL 101 Ca 0.58 -1.16 0.00 0.00 0.00 0.00 0.00 61.98 61.40 1id3 s VAL 101 Cb 0.46 -1.59 -0.01 0.00 0.00 0.00 0.00 36.38 35.24 1id3 s VAL 101 CO 0.01 0.39 -0.14 -0.89 0.00 0.00 0.00 175.10 174.47 1id3 s THR 102 N -0.69 2.86 -0.41 3.92 2.01 -1.26 -5.03 115.64 117.04 1id3 s THR 102 Ca 0.09 -0.72 -0.18 0.00 0.31 0.00 0.00 61.69 61.19 1id3 s THR 102 Cb -0.09 -2.20 0.02 0.00 0.01 0.00 0.00 72.50 70.24 1id3 s THR 102 CO 0.01 0.52 0.49 -0.63 -0.69 0.00 0.00 174.62 174.31 1id3 s ILE 103 N 0.52 5.03 0.10 1.82 -1.09 -1.26 -5.02 121.20 121.29 1id3 s ILE 103 Ca -0.10 -0.13 -0.31 0.00 -2.23 0.00 0.00 60.65 57.89 1id3 s ILE 103 Cb -0.16 -4.05 -0.10 0.00 -1.58 0.00 0.00 42.46 36.57 1id3 s ILE 103 CO 0.04 -0.41 1.81 0.00 -1.23 0.00 0.00 174.94 175.16 1id3 s ALA 104 N 2.31 3.73 -0.41 9.38 0.00 -1.26 -1.31 121.76 134.21 1id3 s ALA 104 Ca 0.15 1.39 0.00 0.00 0.00 0.00 0.00 51.96 53.50 1id3 s ALA 104 Cb -0.16 -3.76 0.00 0.00 0.00 0.00 0.00 23.12 19.20 1id3 s ALA 104 CO 0.15 -1.25 0.00 1.04 0.00 0.00 0.00 175.76 175.70 1id3 n GLN 105 N 5.91 -0.28 0.02 0.00 1.13 -1.26 -4.87 117.38 118.02 1id3 n GLN 105 Ca 0.18 0.57 -0.10 0.00 -1.94 0.00 0.00 57.00 55.70 1id3 n GLN 105 Cb 0.39 -4.25 -0.13 0.00 0.11 0.00 0.00 30.24 26.36 1id3 n GLN 105 CO 0.00 0.00 0.00 0.78 -1.44 0.00 0.00 177.06 176.40 1id3 h GLY 106 N 0.00 0.07 -0.02 1.08 0.00 -1.47 -3.28 103.07 99.45 1id3 h GLY 106 Ca -0.08 -0.17 0.00 0.00 0.00 0.00 0.00 47.33 47.08 1id3 h GLY 106 CO 0.12 0.15 -0.00 0.61 0.00 0.00 0.00 176.54 177.41 1id3 n GLY 107 N 1.54 -2.07 3.15 4.60 0.00 -1.26 -4.44 105.19 106.71 1id3 n GLY 107 Ca -0.13 -1.42 -0.20 0.00 0.00 0.00 0.00 46.02 44.27 1id3 n GLY 107 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1id3 s VAL 108 N -0.12 1.16 0.17 1.61 -7.23 -1.26 -5.03 120.40 109.70 1id3 s VAL 108 Ca 0.00 -1.03 -0.34 0.00 -1.81 0.00 0.00 61.98 58.80 1id3 s VAL 108 Cb 0.00 -1.05 -0.14 0.00 0.56 0.00 0.00 36.38 35.75 1id3 s VAL 108 CO 0.00 0.01 1.50 0.18 -0.31 0.00 0.00 175.10 176.48 1id3 n LEU 109 N 1.86 2.90 -4.72 1.32 4.77 -1.26 -4.83 117.00 117.04 1id3 n LEU 109 Ca -0.18 1.10 -0.42 0.00 -0.03 0.00 0.00 56.01 56.48 1id3 n LEU 109 Cb 0.55 -1.40 -0.03 0.00 -2.33 0.00 0.00 43.42 40.21 1id3 n LEU 109 CO 0.23 -0.44 1.36 -2.65 -1.33 0.00 0.00 177.39 174.56 1id3 n PRO 110 N 2.96 2.74 -3.51 3.23 -0.02 -1.26 -4.97 135.00 134.17 1id3 n PRO 110 Ca 0.16 0.99 0.00 0.00 -2.02 0.00 0.00 63.50 62.63 1id3 n PRO 110 Cb 0.28 -2.83 -0.04 0.00 -0.02 0.00 0.00 33.50 30.89 1id3 n PRO 110 CO 0.00 0.00 0.00 1.21 1.98 0.00 0.00 175.50 178.69 1id3 s ASN 111 N 1.15 -0.80 -0.22 2.55 2.47 -1.26 -5.14 114.94 113.68 1id3 s ASN 111 Ca 0.75 1.11 0.02 0.00 0.42 0.00 0.00 52.86 55.16 1id3 s ASN 111 Cb -0.51 1.89 0.05 0.00 -1.45 0.00 0.00 41.25 41.22 1id3 s ASN 111 CO 0.33 -0.16 -0.12 -0.63 -3.72 0.00 0.00 177.10 172.81 1id3 s ILE 112 N 2.57 1.91 0.29 -5.21 1.01 -1.26 -5.11 121.20 115.40 1id3 s ILE 112 Ca -0.04 -1.27 -0.29 0.00 0.00 0.00 0.00 60.65 59.05 1id3 s ILE 112 Cb -0.08 -1.98 -0.14 0.00 0.01 0.00 0.00 42.46 40.28 1id3 s ILE 112 CO -0.18 0.12 1.14 1.57 0.00 0.00 0.00 174.94 177.59 1id3 n HIS 113 N 4.57 1.63 -0.22 3.97 -0.00 -1.26 -4.91 115.22 119.01 1id3 n HIS 113 Ca -0.15 0.63 -0.02 0.00 -0.00 0.00 0.00 57.72 58.18 1id3 n HIS 113 Cb 0.45 -2.32 0.09 0.00 -0.00 0.00 0.00 29.99 28.22 1id3 n HIS 113 CO 0.00 0.00 0.00 1.96 -0.00 0.00 0.00 176.34 178.30 1id3 h GLN 114 N 2.52 0.61 0.00 1.57 4.20 -1.99 -0.59 115.11 121.43 1id3 h GLN 114 Ca -0.42 -0.04 0.00 0.00 0.06 0.00 0.00 58.65 58.25 1id3 h GLN 114 Cb 1.32 -0.14 0.00 0.00 0.30 0.00 0.00 27.48 28.96 1id3 h GLN 114 CO 0.64 0.40 0.26 -0.91 -0.67 0.00 0.00 178.83 178.55 1id3 h ASN 115 N 0.63 0.00 0.02 1.46 -0.26 -2.03 0.22 115.58 115.62 1id3 h ASN 115 Ca 0.29 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 56.03 1id3 h ASN 115 Cb 0.21 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.47 1id3 h ASN 115 CO -0.19 0.00 -0.17 0.18 -1.06 0.00 0.00 177.43 176.19 1id3 n LEU 116 N -2.52 2.06 -4.90 1.61 4.77 -0.23 -4.96 117.00 112.84 1id3 n LEU 116 Ca -0.02 -0.69 -0.28 0.00 -0.03 0.00 0.00 56.01 54.99 1id3 n LEU 116 Cb 0.29 -0.02 0.00 0.00 -2.33 0.00 0.00 43.42 41.37 1id3 n LEU 116 CO 0.11 0.36 0.54 -0.76 -1.33 0.00 0.00 177.39 176.30 1id3 s LEU 117 N -2.21 3.48 0.75 2.23 1.43 0.75 -5.04 118.68 120.07 1id3 s LEU 117 Ca 0.27 1.07 -0.09 0.00 -1.03 0.00 0.00 54.13 54.36 1id3 s LEU 117 Cb 0.20 -4.05 0.07 0.00 0.03 0.00 0.00 46.19 42.44 1id3 s LEU 117 CO 0.42 -0.70 1.09 -2.84 0.23 0.00 0.00 176.35 174.54 1id3 s PRO 118 N -4.90 2.06 1.31 1.29 0.02 -1.26 -5.05 135.00 128.47 1id3 s PRO 118 Ca 0.50 -0.12 0.00 0.00 0.02 0.00 0.00 61.00 61.40 1id3 s PRO 118 Cb -0.11 -2.08 0.00 0.00 0.02 0.00 0.00 34.50 32.34 1id3 s PRO 118 CO 0.48 -1.41 0.00 1.63 -0.33 0.00 0.00 177.00 177.36 1id3 n LYS 119 N -3.10 0.00 -3.55 5.54 5.02 -1.26 -4.95 118.16 115.86 1id3 n LYS 119 Ca 0.08 0.00 -0.02 0.00 -2.02 0.00 0.00 58.31 56.35 1id3 n LYS 119 Cb 0.61 0.00 -0.05 0.00 -0.02 0.00 0.00 35.03 35.57 1id3 n LYS 119 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 1id3 s LYS 120 N 0.00 0.51 0.00 1.97 1.02 -1.26 -5.08 119.74 116.90 1id3 s LYS 120 Ca 0.00 1.24 0.00 0.00 0.02 0.00 0.00 55.97 57.23 1id3 s LYS 120 Cb 0.00 0.63 0.00 0.00 -0.52 0.00 0.00 37.83 37.94 1id3 s LYS 120 CO 0.00 -0.31 0.00 0.45 -0.92 0.00 0.00 175.35 174.57 1id3 n SER 121 N 5.43 0.00 -2.77 2.83 2.88 -1.26 -4.90 113.62 115.83 1id3 n SER 121 Ca -0.09 0.00 -0.14 0.00 -1.33 0.00 0.00 58.87 57.31 1id3 n SER 121 Cb 0.49 0.00 0.01 0.00 -0.75 0.00 0.00 64.21 63.96 1id3 n SER 121 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1id3 n ALA 122 N 0.34 3.38 -3.27 -1.46 0.00 -1.26 -5.08 120.51 113.16 1id3 n ALA 122 Ca 0.00 -3.42 -0.13 0.00 0.00 0.00 0.00 53.44 49.90 1id3 n ALA 122 Cb 0.00 -0.88 0.02 0.00 0.00 0.00 0.00 19.45 18.59 1id3 n ALA 122 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1id3 n LYS 123 N -0.05 0.91 -3.64 0.00 4.01 -1.26 -5.12 118.16 113.02 1id3 n LYS 123 Ca 0.17 -1.61 -0.30 0.00 -0.51 0.00 0.00 58.31 56.06 1id3 n LYS 123 Cb 0.74 -0.01 -0.04 0.00 -0.51 0.00 0.00 35.03 35.22 1id3 n LYS 123 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 1id3 s ALA 124 N -2.36 3.78 0.00 7.82 0.00 -1.26 -5.27 121.76 124.47 1id3 s ALA 124 Ca 0.25 -0.62 0.00 0.00 0.00 0.00 0.00 51.96 51.59 1id3 s ALA 124 Cb -0.02 -2.12 0.00 0.00 0.00 0.00 0.00 23.12 20.98 1id3 s ALA 124 CO 0.16 0.57 0.00 0.25 0.00 0.00 0.00 175.76 176.73