#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1id3 h ASN 25 N 0.00 0.65 0.19 -2.24 -0.26 -2.05 -2.67 115.58 109.20 1id3 h ASN 25 Ca 0.00 -0.55 -0.00 0.00 -0.56 0.00 0.00 56.30 55.18 1id3 h ASN 25 Cb 0.00 -0.20 -0.00 0.00 -1.06 0.00 0.00 38.32 37.06 1id3 h ASN 25 CO 0.00 1.36 -0.02 -0.29 -1.06 0.00 0.00 177.43 177.43 1id3 h ILE 26 N 0.25 0.19 0.00 2.81 6.09 -2.01 1.16 117.51 126.01 1id3 h ILE 26 Ca -0.11 -0.15 0.00 0.00 -1.37 0.00 0.00 64.86 63.23 1id3 h ILE 26 Cb 1.70 1.12 0.00 0.00 0.47 0.00 0.00 36.82 40.11 1id3 h ILE 26 CO 0.19 0.02 0.00 1.56 -3.07 0.00 0.00 178.15 176.85 1id3 h GLN 27 N 0.00 0.00 0.00 2.19 1.08 -1.93 -3.00 115.11 113.45 1id3 h GLN 27 Ca -0.00 0.00 -0.00 0.00 -1.45 0.00 0.00 58.65 57.20 1id3 h GLN 27 Cb 0.12 0.00 -0.00 0.00 -0.05 0.00 0.00 27.48 27.55 1id3 h GLN 27 CO 0.00 0.00 -0.01 0.78 -0.95 0.00 0.00 178.83 178.65 1id3 h GLY 28 N 3.36 0.00 -7.53 3.46 0.00 0.15 -3.32 103.07 99.18 1id3 h GLY 28 Ca 0.00 0.00 -0.50 0.00 0.00 0.00 0.00 47.33 46.83 1id3 h GLY 28 CO 0.00 0.00 1.52 -0.42 0.00 0.00 0.00 176.54 177.64 1id3 s ILE 29 N -4.11 3.80 0.75 2.60 -1.09 -1.13 -4.91 121.20 117.11 1id3 s ILE 29 Ca -0.04 -1.21 -0.17 0.00 -2.23 0.00 0.00 60.65 57.00 1id3 s ILE 29 Cb 0.12 -4.81 -0.12 0.00 -1.58 0.00 0.00 42.46 36.07 1id3 s ILE 29 CO 0.46 -1.51 -0.25 0.35 -1.23 0.00 0.00 174.94 172.75 1id3 n THR 30 N 7.16 0.32 0.20 2.92 -2.24 -1.25 -4.77 114.28 116.61 1id3 n THR 30 Ca 0.44 -0.47 0.07 0.00 -2.27 0.00 0.00 64.05 61.82 1id3 n THR 30 Cb 0.47 -0.16 0.57 0.00 -2.10 0.00 0.00 70.33 69.12 1id3 n THR 30 CO 0.00 0.00 0.00 0.50 -0.57 0.00 0.00 175.07 175.00 1id3 h LYS 31 N -0.52 0.12 0.08 -0.78 3.64 -1.91 -2.91 116.57 114.30 1id3 h LYS 31 Ca -0.43 -0.01 -0.00 0.00 -1.27 0.00 0.00 60.65 58.94 1id3 h LYS 31 Cb 1.37 -0.03 0.00 0.00 -0.41 0.00 0.00 32.23 33.16 1id3 h LYS 31 CO 0.34 0.11 -0.04 -1.35 -2.27 0.00 0.00 179.45 176.24 1id3 h PRO 32 N 0.12 -0.11 -0.40 1.90 0.11 -1.99 -2.42 132.00 129.23 1id3 h PRO 32 Ca 0.03 0.01 0.08 0.00 0.11 0.00 0.00 66.00 66.23 1id3 h PRO 32 Cb 0.03 0.02 -0.08 0.00 0.11 0.00 0.00 31.00 31.08 1id3 h PRO 32 CO -0.00 0.27 -0.14 0.00 -0.21 0.00 0.00 178.00 177.91 1id3 h ALA 33 N 0.36 0.19 -0.53 -0.75 0.00 -1.86 0.70 119.26 117.36 1id3 h ALA 33 Ca -0.01 0.15 0.09 0.00 0.00 0.00 0.00 54.91 55.14 1id3 h ALA 33 Cb 0.43 0.38 -0.07 0.00 0.00 0.00 0.00 17.79 18.52 1id3 h ALA 33 CO 0.02 -0.50 0.13 0.82 0.00 0.00 0.00 179.25 179.72 1id3 h ILE 34 N -0.06 0.72 -0.13 0.00 1.08 -1.55 -1.32 117.51 116.26 1id3 h ILE 34 Ca 0.19 -0.09 0.04 0.00 -0.39 0.00 0.00 64.86 64.61 1id3 h ILE 34 Cb 0.35 0.42 -0.04 0.00 -3.07 0.00 0.00 36.82 34.48 1id3 h ILE 34 CO -0.44 0.05 -0.14 -0.09 -0.69 0.00 0.00 178.15 176.84 1id3 h ARG 35 N 0.27 -0.16 0.33 2.37 2.43 -0.03 -1.54 114.38 118.05 1id3 h ARG 35 Ca 0.27 0.01 -0.01 0.00 -0.81 0.00 0.00 59.98 59.44 1id3 h ARG 35 Cb 0.36 0.04 -0.02 0.00 -0.42 0.00 0.00 29.97 29.93 1id3 h ARG 35 CO -0.33 -0.11 -0.35 0.00 -1.51 0.00 0.00 179.97 177.67 1id3 h ARG 36 N -0.17 -0.66 -0.87 0.20 3.08 0.13 -1.33 114.38 114.77 1id3 h ARG 36 Ca 0.09 0.04 0.16 0.00 0.07 0.00 0.00 59.98 60.35 1id3 h ARG 36 Cb 0.30 0.15 -0.16 0.00 0.08 0.00 0.00 29.97 30.34 1id3 h ARG 36 CO -0.23 -0.44 -0.28 -0.07 -1.07 0.00 0.00 179.97 177.89 1id3 h LEU 37 N -0.68 -1.02 -2.86 3.04 3.38 -1.23 1.83 115.31 117.77 1id3 h LEU 37 Ca -0.04 0.27 0.00 0.00 0.09 0.00 0.00 57.88 58.20 1id3 h LEU 37 Cb 0.59 0.60 0.00 0.00 0.09 0.00 0.00 40.66 41.95 1id3 h LEU 37 CO -0.05 -0.29 0.04 0.00 0.09 0.00 0.00 178.44 178.23 1id3 h ALA 38 N 1.64 1.04 0.08 1.53 0.00 -0.74 0.56 119.26 123.36 1id3 h ALA 38 Ca 0.38 0.00 -0.00 0.00 0.00 0.00 0.00 54.91 55.29 1id3 h ALA 38 Cb 0.62 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.41 1id3 h ALA 38 CO -0.90 -0.04 -0.04 0.00 0.00 0.00 0.00 179.25 178.27 1id3 h ARG 39 N 0.00 -0.10 -0.98 0.00 2.47 0.39 0.52 114.38 116.68 1id3 h ARG 39 Ca 0.00 0.01 0.23 0.00 -1.26 0.00 0.00 59.98 58.96 1id3 h ARG 39 Cb 0.08 0.02 -0.08 0.00 -1.65 0.00 0.00 29.97 28.34 1id3 h ARG 39 CO 0.00 0.16 0.64 -0.09 0.56 0.00 0.00 179.97 181.24 1id3 h ARG 40 N -1.00 0.42 0.00 0.04 2.43 -0.50 2.72 114.38 118.49 1id3 h ARG 40 Ca -0.01 -0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.13 1id3 h ARG 40 Cb 0.30 -0.09 0.00 0.00 -0.42 0.00 0.00 29.97 29.76 1id3 h ARG 40 CO 0.02 0.28 0.00 0.41 -1.51 0.00 0.00 179.97 179.16 1id3 n GLY 41 N -1.48 -1.07 0.56 2.80 0.00 0.19 -4.86 105.19 101.33 1id3 n GLY 41 Ca 0.23 0.02 0.00 0.00 0.00 0.00 0.00 46.02 46.27 1id3 n GLY 41 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1id3 n GLY 42 N -0.17 0.59 3.76 -0.02 0.00 0.91 -5.03 105.19 105.24 1id3 n GLY 42 Ca 0.02 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.64 1id3 n GLY 42 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1id3 s VAL 43 N -2.37 3.04 -0.22 1.61 1.01 0.18 -4.97 120.40 118.68 1id3 s VAL 43 Ca 0.00 1.00 -0.08 0.00 0.00 0.00 0.00 61.98 62.90 1id3 s VAL 43 Cb 0.00 -3.64 -0.11 0.00 0.00 0.00 0.00 36.38 32.64 1id3 s VAL 43 CO 0.00 0.22 -0.26 1.17 0.00 0.00 0.00 175.10 176.23 1id3 n LYS 44 N 1.26 0.48 -4.05 2.72 4.81 -1.26 -4.44 118.16 117.68 1id3 n LYS 44 Ca 0.01 0.19 -0.31 0.00 -0.87 0.00 0.00 58.31 57.33 1id3 n LYS 44 Cb 0.43 -1.32 -0.16 0.00 0.02 0.00 0.00 35.03 33.99 1id3 n LYS 44 CO 0.00 0.00 0.00 0.50 1.17 0.00 0.00 177.40 179.07 1id3 s ARG 45 N -2.41 2.45 -0.33 1.64 3.52 -1.26 -5.11 118.95 117.45 1id3 s ARG 45 Ca -0.30 -0.62 -0.08 0.00 -0.13 0.00 0.00 55.73 54.60 1id3 s ARG 45 Cb 0.11 -2.21 0.02 0.00 -1.56 0.00 0.00 34.95 31.31 1id3 s ARG 45 CO 0.41 -0.23 0.12 0.42 -0.81 0.00 0.00 175.30 175.21 1id3 s ILE 46 N 1.44 4.10 0.76 4.11 1.01 -1.26 -5.10 121.20 126.25 1id3 s ILE 46 Ca 0.05 -0.83 -0.15 0.00 0.00 0.00 0.00 60.65 59.72 1id3 s ILE 46 Cb -0.13 -3.21 0.05 0.00 0.01 0.00 0.00 42.46 39.19 1id3 s ILE 46 CO -0.11 -0.06 1.23 -0.55 0.00 0.00 0.00 174.94 175.45 1id3 s SER 47 N 1.49 3.92 0.43 3.58 0.15 -1.26 -4.93 113.70 117.08 1id3 s SER 47 Ca 0.01 2.45 0.11 0.00 0.70 0.00 0.00 55.95 59.23 1id3 s SER 47 Cb -0.18 -2.60 0.97 0.00 -1.71 0.00 0.00 66.02 62.50 1id3 s SER 47 CO 0.04 -2.45 2.01 1.23 1.20 0.00 0.00 173.24 175.27 1id3 h GLY 48 N -0.43 0.57 1.60 9.45 0.00 -2.05 -2.82 103.07 109.39 1id3 h GLY 48 Ca -0.48 -0.18 -0.14 0.00 0.00 0.00 0.00 47.33 46.52 1id3 h GLY 48 CO 0.48 0.14 -0.52 1.41 0.00 0.00 0.00 176.54 178.05 1id3 h LEU 49 N 0.46 0.46 -1.00 3.11 3.38 -2.04 -3.28 115.31 116.41 1id3 h LEU 49 Ca 0.23 -0.24 0.41 0.00 0.09 0.00 0.00 57.88 58.37 1id3 h LEU 49 Cb 0.31 -0.13 -0.18 0.00 0.09 0.00 0.00 40.66 40.75 1id3 h LEU 49 CO -0.06 0.90 0.53 0.40 0.09 0.00 0.00 178.44 180.30 1id3 h ILE 50 N 0.33 0.01 0.63 1.22 1.08 -1.87 -2.27 117.51 116.64 1id3 h ILE 50 Ca 0.01 -0.00 -0.02 0.00 -0.39 0.00 0.00 64.86 64.45 1id3 h ILE 50 Cb 1.03 -0.00 -0.01 0.00 -3.07 0.00 0.00 36.82 34.76 1id3 h ILE 50 CO 0.09 0.00 -0.45 1.88 -0.69 0.00 0.00 178.15 178.98 1id3 h TYR 51 N 0.01 -1.21 0.00 1.37 0.05 -1.76 0.28 116.97 115.72 1id3 h TYR 51 Ca 0.84 -0.01 -0.05 0.00 0.05 0.00 0.00 58.73 59.57 1id3 h TYR 51 Cb 2.20 0.44 -0.01 0.00 1.01 0.00 0.00 36.73 40.38 1id3 h TYR 51 CO -0.02 -0.65 -0.22 0.93 -1.05 0.00 0.00 178.16 177.14 1id3 h GLU 52 N -1.04 0.00 0.50 4.88 4.39 -1.67 -1.85 114.58 119.78 1id3 h GLU 52 Ca -0.08 0.00 -0.02 0.00 0.34 0.00 0.00 59.36 59.60 1id3 h GLU 52 Cb 0.86 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.51 1id3 h GLU 52 CO 0.04 0.22 -0.24 1.49 -1.16 0.00 0.00 179.01 179.36 1id3 h GLU 53 N 0.00 -0.65 -0.91 2.33 4.57 -1.13 -1.44 114.58 117.36 1id3 h GLU 53 Ca -0.00 0.04 0.18 0.00 -1.18 0.00 0.00 59.36 58.40 1id3 h GLU 53 Cb 0.42 0.15 -0.10 0.00 -0.16 0.00 0.00 28.75 29.05 1id3 h GLU 53 CO 0.03 -0.36 0.49 0.28 -1.18 0.00 0.00 179.01 178.26 1id3 h VAL 54 N -0.83 0.67 -0.71 0.32 2.07 -0.16 0.45 116.25 118.06 1id3 h VAL 54 Ca -0.07 -0.21 0.01 0.00 0.82 0.00 0.00 66.70 67.25 1id3 h VAL 54 Cb 0.58 -0.01 -0.04 0.00 -1.52 0.00 0.00 31.29 30.31 1id3 h VAL 54 CO 0.11 0.11 0.47 0.03 0.02 0.00 0.00 177.57 178.31 1id3 h ARG 55 N 0.62 0.93 0.31 1.57 3.08 -0.94 -0.67 114.38 119.28 1id3 h ARG 55 Ca 0.52 -0.06 -0.00 0.00 0.07 0.00 0.00 59.98 60.52 1id3 h ARG 55 Cb 0.82 -0.21 -0.04 0.00 0.08 0.00 0.00 29.97 30.63 1id3 h ARG 55 CO -0.40 0.61 -0.51 0.00 -1.07 0.00 0.00 179.97 178.60 1id3 h ALA 56 N 1.26 -1.05 -0.23 0.04 0.00 0.92 -0.68 119.26 119.53 1id3 h ALA 56 Ca 0.26 -0.15 0.03 0.00 0.00 0.00 0.00 54.91 55.05 1id3 h ALA 56 Cb -0.11 0.80 -0.06 0.00 0.00 0.00 0.00 17.79 18.42 1id3 h ALA 56 CO -0.06 -1.14 -0.44 0.28 0.00 0.00 0.00 179.25 177.89 1id3 h VAL 57 N -0.87 0.00 -0.83 0.00 2.07 -0.89 -1.12 116.25 114.60 1id3 h VAL 57 Ca -0.03 0.00 0.14 0.00 0.82 0.00 0.00 66.70 67.63 1id3 h VAL 57 Cb 0.81 0.00 -0.15 0.00 -1.52 0.00 0.00 31.29 30.44 1id3 h VAL 57 CO -0.17 0.00 -0.33 0.25 0.02 0.00 0.00 177.57 177.34 1id3 h LEU 58 N -0.38 -1.19 0.51 2.57 5.85 -0.78 0.08 115.31 121.96 1id3 h LEU 58 Ca 0.04 0.27 -0.03 0.00 0.84 0.00 0.00 57.88 59.01 1id3 h LEU 58 Cb 0.51 0.64 0.01 0.00 0.37 0.00 0.00 40.66 42.18 1id3 h LEU 58 CO -0.42 -0.29 -0.25 0.50 -0.34 0.00 0.00 178.44 177.64 1id3 h LYS 59 N -0.05 -0.66 -1.13 1.25 3.64 -0.58 -0.83 116.57 118.20 1id3 h LYS 59 Ca 0.33 0.05 0.32 0.00 -1.27 0.00 0.00 60.65 60.08 1id3 h LYS 59 Cb 0.59 0.15 -0.05 0.00 -0.41 0.00 0.00 32.23 32.51 1id3 h LYS 59 CO -0.87 -0.42 0.80 1.03 -2.27 0.00 0.00 179.45 177.73 1id3 h SER 60 N -0.74 0.05 0.03 4.20 0.87 -0.03 0.04 113.55 117.98 1id3 h SER 60 Ca -0.07 0.01 -0.00 0.00 -1.23 0.00 0.00 61.79 60.50 1id3 h SER 60 Cb 0.55 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.51 1id3 h SER 60 CO 0.12 0.01 -0.02 0.15 -0.53 0.00 0.00 176.83 176.56 1id3 h PHE 61 N 0.04 -0.04 -0.89 2.24 3.57 -0.32 -3.03 116.94 118.51 1id3 h PHE 61 Ca 0.55 -0.00 0.34 0.00 3.53 0.00 0.00 57.97 62.39 1id3 h PHE 61 Cb 2.10 0.01 -0.16 0.00 2.79 0.00 0.00 35.95 40.69 1id3 h PHE 61 CO -0.00 -0.02 0.35 1.28 -2.23 0.00 0.00 178.31 177.69 1id3 n LEU 62 N -2.34 0.19 0.49 0.59 4.77 -0.38 -0.84 117.00 119.48 1id3 n LEU 62 Ca -0.01 1.49 -0.20 0.00 -0.03 0.00 0.00 56.01 57.27 1id3 n LEU 62 Cb 0.02 -0.68 -0.10 0.00 -2.33 0.00 0.00 43.42 40.34 1id3 n LEU 62 CO 0.01 -1.63 0.55 -0.33 -1.33 0.00 0.00 177.39 174.66 1id3 h GLU 63 N 0.00 -1.20 -0.84 3.23 5.08 -1.11 0.42 114.58 120.17 1id3 h GLU 63 Ca 0.70 0.08 0.15 0.00 -1.00 0.00 0.00 59.36 59.29 1id3 h GLU 63 Cb 1.76 0.27 -0.10 0.00 0.50 0.00 0.00 28.75 31.18 1id3 h GLU 63 CO -0.73 -0.80 0.42 0.77 -1.00 0.00 0.00 179.01 177.67 1id3 h SER 64 N -1.27 0.49 0.41 1.42 0.02 -0.86 0.13 113.55 113.90 1id3 h SER 64 Ca -0.13 0.10 -0.02 0.00 -0.84 0.00 0.00 61.79 60.90 1id3 h SER 64 Cb 0.95 0.02 0.00 0.00 0.14 0.00 0.00 62.40 63.52 1id3 h SER 64 CO 0.21 0.20 -0.20 0.58 -1.14 0.00 0.00 176.83 176.48 1id3 h VAL 65 N 0.59 0.43 -0.76 2.27 2.07 -1.10 -3.13 116.25 116.61 1id3 h VAL 65 Ca 0.46 -0.59 0.04 0.00 0.82 0.00 0.00 66.70 67.43 1id3 h VAL 65 Cb 0.67 0.64 -0.05 0.00 -1.52 0.00 0.00 31.29 31.03 1id3 h VAL 65 CO -0.37 0.08 0.47 0.40 0.02 0.00 0.00 177.57 178.17 1id3 h ILE 66 N -0.96 1.08 -0.20 4.57 2.04 0.21 0.33 117.51 124.57 1id3 h ILE 66 Ca -0.06 -0.31 0.04 0.00 1.00 0.00 0.00 64.86 65.54 1id3 h ILE 66 Cb 0.55 0.09 -0.07 0.00 -0.74 0.00 0.00 36.82 36.65 1id3 h ILE 66 CO 0.09 0.17 -0.49 -0.09 0.00 0.00 0.00 178.15 177.82 1id3 h ARG 67 N 0.90 -0.49 -0.31 2.37 2.43 -0.82 0.66 114.38 119.12 1id3 h ARG 67 Ca 0.32 0.03 0.06 0.00 -0.81 0.00 0.00 59.98 59.58 1id3 h ARG 67 Cb 0.07 0.11 -0.06 0.00 -0.42 0.00 0.00 29.97 29.67 1id3 h ARG 67 CO -0.13 -0.32 -0.10 -0.44 -1.51 0.00 0.00 179.97 177.46 1id3 h ASP 68 N -0.50 -0.36 0.05 -3.80 5.19 -1.38 -0.95 116.42 114.67 1id3 h ASP 68 Ca 0.07 0.10 0.00 0.00 -0.62 0.00 0.00 57.03 56.58 1id3 h ASP 68 Cb 0.65 0.22 -0.02 0.00 0.18 0.00 0.00 39.33 40.36 1id3 h ASP 68 CO -0.46 -0.13 -0.22 0.77 -3.12 0.00 0.00 179.24 176.07 1id3 h SER 69 N -0.04 -0.66 -1.00 6.45 4.64 0.18 -2.35 113.55 120.78 1id3 h SER 69 Ca 0.15 0.07 0.20 0.00 -0.47 0.00 0.00 61.79 61.74 1id3 h SER 69 Cb 0.27 0.24 -0.10 0.00 -0.31 0.00 0.00 62.40 62.50 1id3 h SER 69 CO -0.34 -0.23 0.61 0.58 -0.87 0.00 0.00 176.83 176.58 1id3 h VAL 70 N -0.32 0.69 -1.00 0.95 2.07 0.43 0.27 116.25 119.35 1id3 h VAL 70 Ca -0.00 -0.24 0.14 0.00 0.82 0.00 0.00 66.70 67.41 1id3 h VAL 70 Cb 0.32 -0.07 -0.09 0.00 -1.52 0.00 0.00 31.29 29.92 1id3 h VAL 70 CO -0.12 0.13 0.63 0.74 0.02 0.00 0.00 177.57 178.97 1id3 h THR 71 N 0.70 0.87 -0.44 2.57 2.02 -0.65 0.74 112.91 118.71 1id3 h THR 71 Ca 0.57 -0.32 -0.07 0.00 0.77 0.00 0.00 66.41 67.37 1id3 h THR 71 Cb 0.98 -0.14 -0.02 0.00 -1.74 0.00 0.00 68.15 67.23 1id3 h THR 71 CO -0.36 0.17 -0.01 1.88 0.37 0.00 0.00 175.52 177.57 1id3 h TYR 72 N 0.92 0.76 0.15 3.16 0.99 -0.11 -2.02 116.97 120.83 1id3 h TYR 72 Ca 0.51 -0.10 -0.01 0.00 2.00 0.00 0.00 58.73 61.14 1id3 h TYR 72 Cb 0.60 -0.21 0.00 0.00 1.00 0.00 0.00 36.73 38.12 1id3 h TYR 72 CO -0.00 0.72 -0.08 1.15 -0.00 0.00 0.00 178.16 179.95 1id3 h THR 73 N 0.67 0.84 -0.09 -2.88 2.02 0.90 -1.36 112.91 113.02 1id3 h THR 73 Ca 0.13 0.00 -0.05 0.00 0.77 0.00 0.00 66.41 67.27 1id3 h THR 73 Cb 0.43 0.84 -0.01 0.00 -1.74 0.00 0.00 68.15 67.67 1id3 h THR 73 CO 0.02 0.00 -0.16 -0.33 0.37 0.00 0.00 175.52 175.41 1id3 h GLU 74 N -0.21 0.14 -0.29 6.66 5.08 -0.87 -2.25 114.58 122.85 1id3 h GLU 74 Ca -0.02 -0.03 -0.12 0.00 -1.00 0.00 0.00 59.36 58.19 1id3 h GLU 74 Cb 0.16 -0.02 -0.00 0.00 0.50 0.00 0.00 28.75 29.39 1id3 h GLU 74 CO 0.03 0.31 -0.30 1.25 -1.00 0.00 0.00 179.01 179.30 1id3 h HIS 75 N 0.13 0.86 0.00 4.33 2.76 -1.02 -1.67 115.15 120.55 1id3 h HIS 75 Ca 0.03 -0.26 0.00 0.00 -2.20 0.00 0.00 60.37 57.93 1id3 h HIS 75 Cb 0.38 -0.18 0.00 0.00 1.55 0.00 0.00 27.41 29.16 1id3 h HIS 75 CO 0.00 1.01 0.00 0.00 -1.30 0.00 0.00 177.93 177.65 1id3 n ALA 76 N -2.50 2.24 -4.26 5.26 0.00 -0.54 -4.84 120.51 115.86 1id3 n ALA 76 Ca -0.04 0.00 -0.37 0.00 0.00 0.00 0.00 53.44 53.03 1id3 n ALA 76 Cb 0.48 -1.00 -0.08 0.00 0.00 0.00 0.00 19.45 18.85 1id3 n ALA 76 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1id3 n LYS 77 N -0.02 -0.78 -3.89 0.00 5.02 -0.63 -4.93 118.16 112.93 1id3 n LYS 77 Ca 0.00 0.12 -0.24 0.00 -2.02 0.00 0.00 58.31 56.17 1id3 n LYS 77 Cb 0.17 -4.09 -0.04 0.00 -0.02 0.00 0.00 35.03 31.05 1id3 n LYS 77 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 1id3 s ARG 78 N -6.79 2.33 -0.01 1.97 0.52 -0.94 -5.03 118.95 111.00 1id3 s ARG 78 Ca 0.60 -1.82 0.10 0.00 -0.52 0.00 0.00 55.73 54.09 1id3 s ARG 78 Cb -0.35 -2.13 -0.15 0.00 0.52 0.00 0.00 34.95 32.83 1id3 s ARG 78 CO 0.94 -0.31 0.22 1.63 0.02 0.00 0.00 175.30 177.80 1id3 n LYS 79 N -1.51 0.38 -3.84 3.54 5.02 -1.26 -4.60 118.16 115.90 1id3 n LYS 79 Ca -0.00 -0.09 -0.33 0.00 -2.02 0.00 0.00 58.31 55.87 1id3 n LYS 79 Cb 0.64 -1.23 -0.05 0.00 -0.02 0.00 0.00 35.03 34.37 1id3 n LYS 79 CO 0.00 0.00 0.00 0.99 -0.52 0.00 0.00 177.40 177.87 1id3 s THR 80 N -2.68 5.35 -0.51 -0.18 2.01 -1.26 -5.07 115.64 113.31 1id3 s THR 80 Ca -0.03 -0.09 -0.16 0.00 0.31 0.00 0.00 61.69 61.72 1id3 s THR 80 Cb 0.06 -3.58 0.10 0.00 0.01 0.00 0.00 72.50 69.10 1id3 s THR 80 CO 0.42 0.26 0.45 -0.69 -0.69 0.00 0.00 174.62 174.37 1id3 s VAL 81 N -1.40 5.21 0.89 3.82 1.01 -1.26 -4.93 120.40 123.74 1id3 s VAL 81 Ca 0.31 -1.28 -0.11 0.00 0.00 0.00 0.00 61.98 60.90 1id3 s VAL 81 Cb -0.13 -4.24 0.13 0.00 0.00 0.00 0.00 36.38 32.14 1id3 s VAL 81 CO 0.21 -0.74 1.10 0.42 0.00 0.00 0.00 175.10 176.09 1id3 s THR 82 N 1.64 2.65 0.16 3.92 -4.23 -1.26 -4.94 115.64 113.58 1id3 s THR 82 Ca 0.04 0.21 -0.10 0.00 -1.18 0.00 0.00 61.69 60.66 1id3 s THR 82 Cb -0.27 -2.52 0.01 0.00 1.34 0.00 0.00 72.50 71.06 1id3 s THR 82 CO 0.05 -0.27 1.55 0.77 -0.54 0.00 0.00 174.62 176.17 1id3 h SER 83 N -1.61 1.03 0.22 3.99 4.64 -1.97 -2.23 113.55 117.62 1id3 h SER 83 Ca -0.47 -0.39 0.00 0.00 -0.47 0.00 0.00 61.79 60.46 1id3 h SER 83 Cb 1.27 -0.29 0.00 0.00 -0.31 0.00 0.00 62.40 63.07 1id3 h SER 83 CO 0.49 1.20 0.00 0.18 -0.87 0.00 0.00 176.83 177.83 1id3 n LEU 84 N -4.11 0.00 0.10 5.97 7.99 -1.26 -1.81 117.00 123.88 1id3 n LEU 84 Ca 0.00 0.22 -0.24 0.00 -0.01 0.00 0.00 56.01 55.98 1id3 n LEU 84 Cb 0.46 -0.22 -0.15 0.00 -0.11 0.00 0.00 43.42 43.40 1id3 n LEU 84 CO 0.47 -0.11 -0.39 0.44 -1.51 0.00 0.00 177.39 176.29 1id3 h ASP 85 N 0.00 0.71 -0.30 -1.43 3.32 -1.76 -2.80 116.42 114.15 1id3 h ASP 85 Ca 0.00 -0.93 -0.03 0.00 0.02 0.00 0.00 57.03 56.09 1id3 h ASP 85 Cb 0.11 -0.23 -0.01 0.00 0.22 0.00 0.00 39.33 39.42 1id3 h ASP 85 CO 0.00 1.74 0.08 0.58 -1.72 0.00 0.00 179.24 179.92 1id3 h VAL 86 N 0.09 1.21 -0.59 -1.35 2.07 -1.36 -2.58 116.25 113.74 1id3 h VAL 86 Ca -0.30 -0.69 0.07 0.00 0.82 0.00 0.00 66.70 66.59 1id3 h VAL 86 Cb 2.10 1.09 -0.06 0.00 -1.52 0.00 0.00 31.29 32.91 1id3 h VAL 86 CO 0.22 0.23 0.28 0.58 0.02 0.00 0.00 177.57 178.90 1id3 h VAL 87 N 0.33 0.89 -0.19 2.57 2.07 -1.45 0.41 116.25 120.88 1id3 h VAL 87 Ca 0.10 -0.18 -0.17 0.00 0.82 0.00 0.00 66.70 67.27 1id3 h VAL 87 Cb 0.27 0.32 -0.00 0.00 -1.52 0.00 0.00 31.29 30.36 1id3 h VAL 87 CO -0.00 0.10 -0.57 1.88 0.02 0.00 0.00 177.57 179.00 1id3 h TYR 88 N 0.52 0.76 0.69 1.57 0.99 -1.44 -1.00 116.97 119.06 1id3 h TYR 88 Ca 0.28 -0.28 -0.03 0.00 2.00 0.00 0.00 58.73 60.71 1id3 h TYR 88 Cb 0.24 -0.14 -0.01 0.00 1.00 0.00 0.00 36.73 37.83 1id3 h TYR 88 CO -0.12 1.03 -0.45 0.00 -0.00 0.00 0.00 178.16 178.62 1id3 h ALA 89 N 0.91 -1.12 -0.86 3.88 0.00 -0.93 -0.70 119.26 120.44 1id3 h ALA 89 Ca 0.00 -0.22 0.22 0.00 0.00 0.00 0.00 54.91 54.91 1id3 h ALA 89 Cb 1.13 0.56 -0.05 0.00 0.00 0.00 0.00 17.79 19.43 1id3 h ALA 89 CO 0.11 -1.15 0.59 -0.07 0.00 0.00 0.00 179.25 178.73 1id3 h LEU 90 N -1.07 0.24 -0.28 0.00 3.38 -0.16 -1.22 115.31 116.19 1id3 h LEU 90 Ca -0.09 0.02 -0.16 0.00 0.09 0.00 0.00 57.88 57.75 1id3 h LEU 90 Cb 0.87 -0.02 -0.00 0.00 0.09 0.00 0.00 40.66 41.60 1id3 h LEU 90 CO 0.07 0.09 -0.43 0.50 0.09 0.00 0.00 178.44 178.76 1id3 h LYS 91 N 0.24 0.80 0.00 1.13 3.64 0.23 0.83 116.57 123.43 1id3 h LYS 91 Ca 0.43 -0.48 0.00 0.00 -1.27 0.00 0.00 60.65 59.34 1id3 h LYS 91 Cb 1.32 0.04 0.00 0.00 -0.41 0.00 0.00 32.23 33.18 1id3 h LYS 91 CO -0.11 1.11 0.00 2.89 -2.27 0.00 0.00 179.45 181.07 1id3 n ARG 92 N -4.12 0.00 0.00 1.90 1.85 -0.51 -1.18 116.66 114.60 1id3 n ARG 92 Ca -0.04 0.15 0.13 0.00 -1.00 0.00 0.00 57.85 57.08 1id3 n ARG 92 Cb 0.56 -1.51 0.34 0.00 -1.05 0.00 0.00 32.46 30.81 1id3 n ARG 92 CO 0.00 0.00 0.00 1.04 -0.01 0.00 0.00 177.63 178.66 1id3 n GLN 93 N -1.51 1.00 -2.02 2.89 6.02 -0.92 -4.91 117.38 117.94 1id3 n GLN 93 Ca 0.05 -0.64 -0.01 0.00 -0.01 0.00 0.00 57.00 56.39 1id3 n GLN 93 Cb 0.24 -1.49 -0.00 0.00 1.02 0.00 0.00 30.24 30.02 1id3 n GLN 93 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1id3 n GLY 94 N 1.33 0.31 0.58 1.08 0.00 -0.33 -4.96 105.19 103.21 1id3 n GLY 94 Ca 0.13 -0.83 0.06 0.00 0.00 0.00 0.00 46.02 45.38 1id3 n GLY 94 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1id3 n ARG 95 N -1.16 1.50 -0.18 1.61 5.12 0.26 -5.03 116.66 118.79 1id3 n ARG 95 Ca -0.02 -3.19 -0.07 0.00 -1.93 0.00 0.00 57.85 52.64 1id3 n ARG 95 Cb 0.51 -1.55 -0.01 0.00 -1.16 0.00 0.00 32.46 30.25 1id3 n ARG 95 CO 0.00 0.00 0.00 2.41 -1.93 0.00 0.00 177.63 178.11 1id3 n THR 96 N -1.09 0.00 -4.96 0.55 -1.04 -1.22 -4.73 114.28 101.80 1id3 n THR 96 Ca 0.18 0.00 -0.28 0.00 -2.04 0.00 0.00 64.05 61.91 1id3 n THR 96 Cb 0.70 -0.01 -0.16 0.00 -1.82 0.00 0.00 70.33 69.04 1id3 n THR 96 CO 0.00 0.00 0.00 -0.22 -0.64 0.00 0.00 175.07 174.21 1id3 s LEU 97 N 0.06 1.93 -0.12 -4.42 2.96 -1.26 -5.03 118.68 112.81 1id3 s LEU 97 Ca 0.11 -0.42 -0.01 0.00 -0.22 0.00 0.00 54.13 53.58 1id3 s LEU 97 Cb -0.15 -1.12 -0.03 0.00 0.50 0.00 0.00 46.19 45.40 1id3 s LEU 97 CO 0.07 0.15 -0.06 -0.31 -1.32 0.00 0.00 176.35 174.88 1id3 s TYR 98 N 0.18 2.97 0.00 5.38 2.02 -1.26 -4.65 117.35 121.99 1id3 s TYR 98 Ca -0.09 -0.20 0.00 0.00 -0.37 0.00 0.00 57.07 56.41 1id3 s TYR 98 Cb -0.14 -1.84 0.00 0.00 -0.40 0.00 0.00 41.96 39.58 1id3 s TYR 98 CO 0.04 0.11 0.00 0.41 -1.57 0.00 0.00 175.55 174.54 1id3 n GLY 99 N 2.97 0.42 1.11 0.71 0.00 -1.26 -5.00 105.19 104.14 1id3 n GLY 99 Ca -0.18 0.00 0.03 0.00 0.00 0.00 0.00 46.02 45.87 1id3 n GLY 99 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1id3 n PHE 100 N 0.00 0.00 0.00 1.61 3.01 -1.26 -5.14 117.46 115.67 1id3 n PHE 100 Ca 0.00 -0.35 0.00 0.00 1.01 0.00 0.00 57.45 58.11 1id3 n PHE 100 Cb 0.00 -0.12 0.00 0.00 -0.01 0.00 0.00 39.48 39.35 1id3 n PHE 100 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1id3 n GLY 101 N 0.27 -3.01 3.54 1.37 0.00 -1.26 -4.62 105.19 101.47 1id3 n GLY 101 Ca 0.04 -2.14 0.00 0.00 0.00 0.00 0.00 46.02 43.92 1id3 n GLY 101 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93