#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1id3 n LYS 37 N 0.00 0.00 -0.10 -0.14 0.00 -1.26 -5.00 118.16 111.67 1id3 n LYS 37 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.31 1id3 n LYS 37 Cb 0.00 -0.71 0.00 0.00 -0.00 0.00 0.00 35.03 34.32 1id3 n LYS 37 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.40 177.79 1id3 n GLU 38 N 0.88 1.08 0.00 -1.58 1.02 -1.26 -5.13 120.64 115.65 1id3 n GLU 38 Ca 0.09 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.23 1id3 n GLU 38 Cb 0.25 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.67 1id3 n GLU 38 CO 0.00 0.00 0.00 -2.37 1.18 0.00 0.00 177.13 175.94 1id3 n THR 39 N -0.62 0.00 1.14 2.62 5.66 -1.26 -5.00 114.28 116.82 1id3 n THR 39 Ca 0.00 0.00 0.12 0.00 -3.05 0.00 0.00 64.05 61.12 1id3 n THR 39 Cb 0.00 0.00 0.35 0.00 -1.55 0.00 0.00 70.33 69.13 1id3 n THR 39 CO 0.00 0.00 0.00 -1.22 -3.05 0.00 0.00 175.07 170.80 1id3 n TYR 40 N -1.11 0.14 -0.35 1.09 4.02 -1.26 -4.59 117.16 115.09 1id3 n TYR 40 Ca 0.00 -0.07 -0.11 0.00 -0.01 0.00 0.00 57.90 57.72 1id3 n TYR 40 Cb 0.00 0.00 -0.08 0.00 -0.02 0.00 0.00 39.34 39.24 1id3 n TYR 40 CO 0.00 0.00 0.00 0.77 -1.01 0.00 0.00 176.86 176.62 1id3 h SER 41 N 3.11 -2.01 -0.88 7.72 0.02 -1.94 -1.76 113.55 117.80 1id3 h SER 41 Ca 0.00 0.31 0.23 0.00 -0.84 0.00 0.00 61.79 61.49 1id3 h SER 41 Cb 0.67 0.89 -0.15 0.00 0.14 0.00 0.00 62.40 63.95 1id3 h SER 41 CO 0.00 -0.28 0.14 0.77 -1.14 0.00 0.00 176.83 176.32 1id3 h SER 42 N -0.09 -0.19 0.42 3.07 4.64 -2.01 -1.07 113.55 118.33 1id3 h SER 42 Ca 0.16 0.22 -0.31 0.00 -0.47 0.00 0.00 61.79 61.39 1id3 h SER 42 Cb 0.47 0.34 0.02 0.00 -0.31 0.00 0.00 62.40 62.92 1id3 h SER 42 CO -0.86 -0.22 -1.41 1.88 -0.87 0.00 0.00 176.83 175.35 1id3 h TYR 43 N 0.13 0.74 -0.23 4.77 -1.99 -1.76 -2.94 116.97 115.70 1id3 h TYR 43 Ca 0.54 -0.54 0.06 0.00 2.00 0.00 0.00 58.73 60.79 1id3 h TYR 43 Cb 1.08 -0.03 -0.06 0.00 2.00 0.00 0.00 36.73 39.72 1id3 h TYR 43 CO -0.35 1.45 -0.20 0.82 -0.00 0.00 0.00 178.16 179.87 1id3 h ILE 44 N 0.11 0.46 -0.68 -2.88 2.04 -0.48 0.13 117.51 116.22 1id3 h ILE 44 Ca -0.21 0.00 0.12 0.00 1.00 0.00 0.00 64.86 65.76 1id3 h ILE 44 Cb 2.08 0.46 -0.08 0.00 -0.74 0.00 0.00 36.82 38.54 1id3 h ILE 44 CO 0.23 0.00 0.25 0.22 0.00 0.00 0.00 178.15 178.86 1id3 h TYR 45 N -0.21 0.44 0.72 1.37 3.20 -1.29 0.14 116.97 121.34 1id3 h TYR 45 Ca 0.13 0.03 -0.04 0.00 3.14 0.00 0.00 58.73 62.00 1id3 h TYR 45 Cb 0.41 -0.09 0.01 0.00 1.54 0.00 0.00 36.73 38.60 1id3 h TYR 45 CO -0.36 0.08 -0.35 0.87 -1.64 0.00 0.00 178.16 176.76 1id3 h LYS 46 N 0.42 -0.93 -0.99 1.82 1.57 -1.03 -1.18 116.57 116.25 1id3 h LYS 46 Ca 0.36 0.06 0.35 0.00 -1.87 0.00 0.00 60.65 59.55 1id3 h LYS 46 Cb 0.49 0.21 -0.17 0.00 0.08 0.00 0.00 32.23 32.85 1id3 h LYS 46 CO -0.36 -0.62 0.46 0.28 -0.57 0.00 0.00 179.45 178.64 1id3 h VAL 47 N -0.97 0.14 0.72 0.50 2.07 -0.35 0.26 116.25 118.62 1id3 h VAL 47 Ca -0.10 -0.05 -0.04 0.00 0.82 0.00 0.00 66.70 67.34 1id3 h VAL 47 Cb 0.74 -0.01 0.01 0.00 -1.52 0.00 0.00 31.29 30.51 1id3 h VAL 47 CO 0.16 0.02 -0.35 0.25 0.02 0.00 0.00 177.57 177.68 1id3 h LEU 48 N 0.13 -0.82 -1.03 2.57 5.85 -0.44 -3.23 115.31 118.33 1id3 h LEU 48 Ca 0.75 0.00 0.07 0.00 0.84 0.00 0.00 57.88 59.55 1id3 h LEU 48 Cb 1.81 0.21 -0.07 0.00 0.37 0.00 0.00 40.66 42.99 1id3 h LEU 48 CO -0.72 -0.49 0.64 0.11 -0.34 0.00 0.00 178.44 177.64 1id3 h LYS 49 N -1.15 1.10 -0.81 1.25 1.79 0.35 -1.50 116.57 117.61 1id3 h LYS 49 Ca -0.10 -0.07 0.20 0.00 -2.18 0.00 0.00 60.65 58.50 1id3 h LYS 49 Cb 0.77 -0.25 -0.13 0.00 -1.58 0.00 0.00 32.23 31.04 1id3 h LYS 49 CO 0.16 0.73 0.17 1.96 -1.08 0.00 0.00 179.45 181.40 1id3 h GLN 50 N 1.14 0.21 0.00 3.15 4.20 -0.63 -1.40 115.11 121.78 1id3 h GLN 50 Ca 0.44 -0.01 -0.02 0.00 0.06 0.00 0.00 58.65 59.11 1id3 h GLN 50 Cb 0.22 -0.05 -0.00 0.00 0.30 0.00 0.00 27.48 27.95 1id3 h GLN 50 CO -0.18 0.14 -0.53 1.79 -0.67 0.00 0.00 178.83 179.37 1id3 h THR 51 N 0.22 0.11 -3.48 -0.54 1.35 -1.57 -3.43 112.91 105.56 1id3 h THR 51 Ca 0.48 -1.13 -0.68 0.00 -0.55 0.00 0.00 66.41 64.53 1id3 h THR 51 Cb 0.90 0.25 -0.37 0.00 -1.73 0.00 0.00 68.15 67.20 1id3 h THR 51 CO -0.61 0.04 -0.41 -1.00 -0.25 0.00 0.00 175.52 173.29 1id3 s HIS 52 N -2.19 3.39 0.44 4.73 3.76 -0.59 -4.93 115.29 119.90 1id3 s HIS 52 Ca -0.15 -2.88 0.16 0.00 -0.15 0.00 0.00 55.06 52.04 1id3 s HIS 52 Cb 0.02 -3.10 1.06 0.00 1.11 0.00 0.00 32.58 31.68 1id3 s HIS 52 CO 0.24 -0.79 2.00 -1.35 -0.85 0.00 0.00 174.74 173.98 1id3 h PRO 53 N 6.73 0.00 -0.03 8.40 0.11 -1.45 -3.08 132.00 142.68 1id3 h PRO 53 Ca -0.01 0.00 -0.17 0.00 0.11 0.00 0.00 66.00 65.93 1id3 h PRO 53 Cb 0.92 0.00 0.01 0.00 0.11 0.00 0.00 31.00 32.04 1id3 h PRO 53 CO 0.72 0.18 -0.64 0.38 -0.21 0.00 0.00 178.00 178.43 1id3 h ASP 54 N 0.00 0.62 -2.78 -2.05 3.04 -1.92 -3.46 116.42 109.87 1id3 h ASP 54 Ca -0.00 -0.72 -0.59 0.00 -3.24 0.00 0.00 57.03 52.48 1id3 h ASP 54 Cb 0.34 -0.19 0.10 0.00 -1.04 0.00 0.00 39.33 38.54 1id3 h ASP 54 CO 0.02 1.25 0.39 0.41 -2.04 0.00 0.00 179.24 179.28 1id3 n THR 55 N -4.17 1.66 -4.44 1.15 -1.04 -1.16 -5.01 114.28 101.28 1id3 n THR 55 Ca -0.10 -0.42 -0.29 0.00 -2.04 0.00 0.00 64.05 61.20 1id3 n THR 55 Cb 0.68 -1.30 -0.13 0.00 -1.82 0.00 0.00 70.33 67.77 1id3 n THR 55 CO 0.00 0.00 0.00 -0.83 -0.64 0.00 0.00 175.07 173.60 1id3 s GLY 56 N -0.23 1.59 -0.31 3.41 0.00 -1.26 -4.84 107.32 105.69 1id3 s GLY 56 Ca 0.61 -1.39 -0.00 0.00 0.00 0.00 0.00 44.72 43.93 1id3 s GLY 56 CO 0.58 -1.35 0.01 -1.50 0.00 0.00 0.00 173.10 170.83 1id3 s ILE 57 N -1.05 2.80 0.96 0.90 2.07 -1.26 -5.10 121.20 120.52 1id3 s ILE 57 Ca 0.15 -1.61 -0.16 0.00 -1.41 0.00 0.00 60.65 57.62 1id3 s ILE 57 Cb -0.10 -2.70 -0.12 0.00 0.13 0.00 0.00 42.46 39.67 1id3 s ILE 57 CO 0.07 -0.21 -0.56 -1.54 -1.91 0.00 0.00 174.94 170.79 1id3 n SER 58 N 4.55 -5.23 0.26 4.50 3.41 -1.26 -4.64 113.62 115.21 1id3 n SER 58 Ca -0.10 0.24 -0.17 0.00 -0.26 0.00 0.00 58.87 58.57 1id3 n SER 58 Cb 0.43 -0.84 -0.09 0.00 -0.26 0.00 0.00 64.21 63.44 1id3 n SER 58 CO 0.00 0.00 0.00 1.56 -0.16 0.00 0.00 175.04 176.44 1id3 h GLN 59 N -1.03 -0.89 -0.00 4.33 1.08 -2.00 -1.85 115.11 114.75 1id3 h GLN 59 Ca -0.44 0.06 -0.11 0.00 -1.45 0.00 0.00 58.65 56.72 1id3 h GLN 59 Cb 1.31 0.20 -0.02 0.00 -0.05 0.00 0.00 27.48 28.92 1id3 h GLN 59 CO 0.26 -0.59 -0.51 -0.22 -0.95 0.00 0.00 178.83 176.82 1id3 h LYS 60 N -0.92 0.01 -0.77 1.46 3.64 -1.99 -2.38 116.57 115.62 1id3 h LYS 60 Ca -0.04 -0.00 0.01 0.00 -1.27 0.00 0.00 60.65 59.34 1id3 h LYS 60 Cb 0.82 0.00 -0.04 0.00 -0.41 0.00 0.00 32.23 32.60 1id3 h LYS 60 CO -0.09 0.51 0.51 0.77 -2.27 0.00 0.00 179.45 178.88 1id3 h SER 61 N 0.01 0.88 -0.25 4.20 0.02 -1.85 -0.46 113.55 116.09 1id3 h SER 61 Ca -0.00 -0.02 -0.03 0.00 -0.84 0.00 0.00 61.79 60.89 1id3 h SER 61 Cb 0.90 -0.22 -0.01 0.00 0.14 0.00 0.00 62.40 63.21 1id3 h SER 61 CO 0.07 0.63 0.03 -0.03 -1.14 0.00 0.00 176.83 176.39 1id3 h MET 62 N 1.03 0.42 -0.80 3.45 1.85 -0.85 -1.83 114.93 118.21 1id3 h MET 62 Ca 0.28 -0.12 0.06 0.00 -0.61 0.00 0.00 59.70 59.31 1id3 h MET 62 Cb -0.11 -0.05 -0.05 0.00 0.43 0.00 0.00 31.60 31.82 1id3 h MET 62 CO -0.06 0.56 0.52 1.03 -0.40 0.00 0.00 176.91 178.57 1id3 h SER 63 N 0.22 0.79 0.06 1.39 0.87 -0.85 -0.54 113.55 115.48 1id3 h SER 63 Ca 0.07 0.00 -0.00 0.00 -1.23 0.00 0.00 61.79 60.63 1id3 h SER 63 Cb 0.36 -0.17 0.00 0.00 -0.44 0.00 0.00 62.40 62.15 1id3 h SER 63 CO 0.01 0.52 -0.03 0.40 -0.53 0.00 0.00 176.83 177.19 1id3 h ILE 64 N 0.90 1.11 -0.89 2.23 2.04 -0.92 -2.53 117.51 119.45 1id3 h ILE 64 Ca 0.34 -0.56 0.11 0.00 1.00 0.00 0.00 64.86 65.75 1id3 h ILE 64 Cb 0.19 1.47 -0.07 0.00 -0.74 0.00 0.00 36.82 37.67 1id3 h ILE 64 CO -0.11 0.14 0.57 -0.07 0.00 0.00 0.00 178.15 178.68 1id3 h LEU 65 N -0.33 0.76 -0.36 1.44 3.38 -0.48 0.18 115.31 119.91 1id3 h LEU 65 Ca -0.01 0.03 -0.00 0.00 0.09 0.00 0.00 57.88 57.99 1id3 h LEU 65 Cb 0.29 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 40.90 1id3 h LEU 65 CO 0.01 0.43 0.22 -1.13 0.09 0.00 0.00 178.44 178.06 1id3 h ASN 66 N 0.83 0.43 -0.32 -0.43 -1.24 -0.96 -1.69 115.58 112.20 1id3 h ASN 66 Ca 0.43 -0.05 0.03 0.00 0.71 0.00 0.00 56.30 57.41 1id3 h ASN 66 Cb 0.50 -0.11 -0.03 0.00 0.73 0.00 0.00 38.32 39.41 1id3 h ASN 66 CO -0.19 0.35 0.13 0.28 -1.29 0.00 0.00 177.43 176.71 1id3 h SER 67 N 0.46 0.17 -0.28 1.15 0.02 -0.34 -1.27 113.55 113.46 1id3 h SER 67 Ca 0.13 0.02 0.04 0.00 -0.84 0.00 0.00 61.79 61.14 1id3 h SER 67 Cb 0.00 -0.00 -0.07 0.00 0.14 0.00 0.00 62.40 62.47 1id3 h SER 67 CO -0.02 0.14 -0.50 0.15 -1.14 0.00 0.00 176.83 175.45 1id3 h PHE 68 N 0.28 -1.51 -0.62 3.45 -0.00 -0.26 0.25 116.94 118.52 1id3 h PHE 68 Ca 0.14 0.07 0.10 0.00 -0.00 0.00 0.00 57.97 58.27 1id3 h PHE 68 Cb 0.08 0.70 -0.08 0.00 -0.00 0.00 0.00 35.95 36.66 1id3 h PHE 68 CO -0.12 -0.46 0.23 0.28 -0.00 0.00 0.00 178.31 178.24 1id3 h VAL 69 N -0.42 0.75 -0.10 1.41 2.07 -0.98 -0.59 116.25 118.39 1id3 h VAL 69 Ca 0.05 -0.14 -0.09 0.00 0.82 0.00 0.00 66.70 67.34 1id3 h VAL 69 Cb 0.56 0.31 -0.01 0.00 -1.52 0.00 0.00 31.29 30.63 1id3 h VAL 69 CO -0.49 0.07 -0.34 0.78 0.02 0.00 0.00 177.57 177.62 1id3 h ASN 70 N 0.41 0.21 0.79 0.57 2.35 -0.62 0.53 115.58 119.82 1id3 h ASN 70 Ca 0.32 -0.07 -0.04 0.00 -0.55 0.00 0.00 56.30 55.96 1id3 h ASN 70 Cb 0.41 -0.06 0.01 0.00 0.05 0.00 0.00 38.32 38.73 1id3 h ASN 70 CO -0.32 0.54 -0.38 -0.78 -1.65 0.00 0.00 177.43 174.84 1id3 h ASP 71 N 0.18 -0.90 -0.52 5.81 3.58 0.93 -0.58 116.42 124.91 1id3 h ASP 71 Ca 0.02 0.03 -0.02 0.00 0.42 0.00 0.00 57.03 57.48 1id3 h ASP 71 Cb 0.69 0.23 -0.02 0.00 1.72 0.00 0.00 39.33 41.95 1id3 h ASP 71 CO 0.05 -0.54 0.24 0.40 -2.88 0.00 0.00 179.24 176.50 1id3 h ILE 72 N -1.27 1.20 -0.74 2.25 1.08 -1.21 -0.69 117.51 118.14 1id3 h ILE 72 Ca -0.11 -0.60 0.17 0.00 -0.39 0.00 0.00 64.86 63.92 1id3 h ILE 72 Cb 0.82 0.63 -0.12 0.00 -3.07 0.00 0.00 36.82 35.08 1id3 h ILE 72 CO 0.18 0.23 0.12 0.15 -0.69 0.00 0.00 178.15 178.14 1id3 h PHE 73 N 0.70 0.16 -0.23 1.37 3.57 -0.87 -0.09 116.94 121.55 1id3 h PHE 73 Ca 0.18 0.05 0.01 0.00 3.53 0.00 0.00 57.97 61.73 1id3 h PHE 73 Cb 0.15 0.04 -0.01 0.00 2.79 0.00 0.00 35.95 38.92 1id3 h PHE 73 CO -0.00 -0.15 0.14 0.93 -2.23 0.00 0.00 178.31 177.00 1id3 h GLU 74 N 0.20 0.28 -0.51 1.11 4.39 0.15 -1.88 114.58 118.31 1id3 h GLU 74 Ca 0.42 -0.02 0.00 0.00 0.34 0.00 0.00 59.36 60.10 1id3 h GLU 74 Cb 0.73 -0.06 -0.03 0.00 -0.10 0.00 0.00 28.75 29.29 1id3 h GLU 74 CO -0.56 0.18 0.33 0.00 -1.16 0.00 0.00 179.01 177.80 1id3 h ARG 75 N 0.29 0.68 0.45 2.33 3.08 0.35 -2.01 114.38 119.55 1id3 h ARG 75 Ca 0.09 -0.05 -0.02 0.00 0.07 0.00 0.00 59.98 60.07 1id3 h ARG 75 Cb -0.02 -0.15 0.00 0.00 0.08 0.00 0.00 29.97 29.89 1id3 h ARG 75 CO -0.03 0.46 -0.22 0.82 -1.07 0.00 0.00 179.97 179.93 1id3 h ILE 76 N 0.69 0.51 -0.46 2.04 2.04 -1.21 -1.01 117.51 120.11 1id3 h ILE 76 Ca 0.19 -0.35 0.09 0.00 1.00 0.00 0.00 64.86 65.79 1id3 h ILE 76 Cb -0.06 0.66 -0.09 0.00 -0.74 0.00 0.00 36.82 36.59 1id3 h ILE 76 CO -0.04 0.06 -0.12 0.00 0.00 0.00 0.00 178.15 178.05 1id3 h ALA 77 N -0.40 0.30 -0.38 1.87 0.00 -1.34 0.66 119.26 119.97 1id3 h ALA 77 Ca -0.06 0.18 0.03 0.00 0.00 0.00 0.00 54.91 55.06 1id3 h ALA 77 Cb 0.56 0.36 -0.03 0.00 0.00 0.00 0.00 17.79 18.67 1id3 h ALA 77 CO 0.10 -0.45 0.19 1.15 0.00 0.00 0.00 179.25 180.24 1id3 h THR 78 N -0.00 0.97 -0.59 0.00 2.02 -1.32 1.17 112.91 115.16 1id3 h THR 78 Ca 0.22 -0.13 -0.04 0.00 0.77 0.00 0.00 66.41 67.23 1id3 h THR 78 Cb 0.34 0.55 -0.03 0.00 -1.74 0.00 0.00 68.15 67.28 1id3 h THR 78 CO -0.48 0.07 0.20 -0.33 0.37 0.00 0.00 175.52 175.36 1id3 h GLU 79 N 0.38 0.91 0.43 6.66 4.39 -0.11 -1.26 114.58 125.98 1id3 h GLU 79 Ca 0.16 -0.18 -0.01 0.00 0.34 0.00 0.00 59.36 59.67 1id3 h GLU 79 Cb 0.08 -0.14 -0.01 0.00 -0.10 0.00 0.00 28.75 28.59 1id3 h GLU 79 CO -0.12 0.80 -0.28 0.00 -1.16 0.00 0.00 179.01 178.25 1id3 h ALA 80 N 1.06 -0.69 -0.99 3.43 0.00 0.91 0.14 119.26 123.13 1id3 h ALA 80 Ca 0.19 -0.13 0.29 0.00 0.00 0.00 0.00 54.91 55.26 1id3 h ALA 80 Cb 0.26 0.35 -0.14 0.00 0.00 0.00 0.00 17.79 18.26 1id3 h ALA 80 CO -0.01 -0.90 0.54 1.03 0.00 0.00 0.00 179.25 179.91 1id3 h SER 81 N -0.69 0.51 -0.00 0.00 0.87 0.18 -0.59 113.55 113.83 1id3 h SER 81 Ca -0.05 0.18 -0.11 0.00 -1.23 0.00 0.00 61.79 60.58 1id3 h SER 81 Cb 0.57 0.12 0.01 0.00 -0.44 0.00 0.00 62.40 62.66 1id3 h SER 81 CO 0.04 -0.07 -0.42 0.11 -0.53 0.00 0.00 176.83 175.96 1id3 h LYS 82 N 0.39 0.29 -0.69 2.24 1.57 -0.47 -1.55 116.57 118.35 1id3 h LYS 82 Ca 0.69 -0.31 0.14 0.00 -1.87 0.00 0.00 60.65 59.30 1id3 h LYS 82 Cb 1.48 0.09 -0.10 0.00 0.08 0.00 0.00 32.23 33.77 1id3 h LYS 82 CO -0.57 1.01 0.16 1.25 -0.57 0.00 0.00 179.45 180.73 1id3 h LEU 83 N -0.31 0.01 0.64 2.94 5.85 0.07 1.17 115.31 125.68 1id3 h LEU 83 Ca -0.05 0.13 -0.03 0.00 0.84 0.00 0.00 57.88 58.77 1id3 h LEU 83 Cb 1.16 0.18 0.01 0.00 0.37 0.00 0.00 40.66 42.37 1id3 h LEU 83 CO 0.08 -0.02 -0.31 0.00 -0.34 0.00 0.00 178.44 177.86 1id3 h ALA 84 N 1.56 -1.22 -0.74 1.25 0.00 -1.15 -1.86 119.26 117.10 1id3 h ALA 84 Ca 0.38 -0.19 0.16 0.00 0.00 0.00 0.00 54.91 55.26 1id3 h ALA 84 Cb 0.61 0.33 -0.11 0.00 0.00 0.00 0.00 17.79 18.62 1id3 h ALA 84 CO -0.47 -1.16 0.17 0.00 0.00 0.00 0.00 179.25 177.79 1id3 h ALA 85 N -1.60 0.95 -0.84 0.00 0.00 -0.48 0.19 119.26 117.48 1id3 h ALA 85 Ca -0.09 0.17 0.04 0.00 0.00 0.00 0.00 54.91 55.04 1id3 h ALA 85 Cb 0.66 0.23 -0.05 0.00 0.00 0.00 0.00 17.79 18.63 1id3 h ALA 85 CO 0.14 -0.34 0.55 1.88 0.00 0.00 0.00 179.25 181.48 1id3 h TYR 86 N 0.27 0.99 -0.95 0.00 0.99 0.14 -2.88 116.97 115.52 1id3 h TYR 86 Ca 0.42 0.02 -0.61 0.00 2.00 0.00 0.00 58.73 60.56 1id3 h TYR 86 Cb 0.71 -0.33 -0.28 0.00 1.00 0.00 0.00 36.73 37.83 1id3 h TYR 86 CO -0.26 0.55 0.79 0.09 -0.00 0.00 0.00 178.16 179.33 1id3 n ASN 87 N -4.46 6.66 -4.40 3.88 3.02 0.64 -4.94 115.26 115.66 1id3 n ASN 87 Ca 0.12 -3.68 -0.37 0.00 -0.03 0.00 0.00 54.58 50.61 1id3 n ASN 87 Cb 0.14 -0.95 -0.07 0.00 -0.61 0.00 0.00 39.78 38.29 1id3 n ASN 87 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 1id3 n LYS 88 N -0.87 -1.28 -5.05 3.52 4.76 -1.07 -4.95 118.16 113.21 1id3 n LYS 88 Ca 0.59 0.17 -0.31 0.00 -2.87 0.00 0.00 58.31 55.89 1id3 n LYS 88 Cb 0.89 -4.43 -0.14 0.00 -1.84 0.00 0.00 35.03 29.51 1id3 n LYS 88 CO 0.00 0.00 0.00 0.15 -1.37 0.00 0.00 177.40 176.18 1id3 s LYS 89 N -7.20 2.20 0.00 1.97 1.02 -1.08 -5.01 119.74 111.64 1id3 s LYS 89 Ca 0.53 -0.88 0.25 0.00 0.02 0.00 0.00 55.97 55.89 1id3 s LYS 89 Cb -0.30 -2.16 0.46 0.00 -0.52 0.00 0.00 37.83 35.30 1id3 s LYS 89 CO 1.00 0.57 1.38 0.43 -0.92 0.00 0.00 175.35 177.81 1id3 n SER 90 N 2.21 0.53 -4.39 2.83 7.64 -1.26 -4.35 113.62 116.82 1id3 n SER 90 Ca -0.16 -0.28 -0.31 0.00 1.01 0.00 0.00 58.87 59.13 1id3 n SER 90 Cb 0.52 0.29 -0.14 0.00 -1.01 0.00 0.00 64.21 63.87 1id3 n SER 90 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 1id3 s THR 91 N -3.01 2.44 -0.45 0.44 2.01 -1.26 -5.08 115.64 110.74 1id3 s THR 91 Ca 0.11 -1.23 -0.15 0.00 0.31 0.00 0.00 61.69 60.73 1id3 s THR 91 Cb 0.17 -1.97 0.06 0.00 0.01 0.00 0.00 72.50 70.77 1id3 s THR 91 CO 0.71 0.40 0.35 -0.63 -0.69 0.00 0.00 174.62 174.76 1id3 s ILE 92 N -0.82 5.15 0.63 1.82 1.01 -1.26 -4.89 121.20 122.83 1id3 s ILE 92 Ca 0.13 -0.97 0.01 0.00 0.00 0.00 0.00 60.65 59.81 1id3 s ILE 92 Cb -0.10 -4.02 0.12 0.00 0.01 0.00 0.00 42.46 38.47 1id3 s ILE 92 CO 0.03 -0.49 0.87 -1.54 0.00 0.00 0.00 174.94 173.81 1id3 n SER 93 N 5.16 1.29 0.08 3.58 3.41 -1.26 -4.94 113.62 120.95 1id3 n SER 93 Ca -0.12 -2.06 0.10 0.00 -0.26 0.00 0.00 58.87 56.53 1id3 n SER 93 Cb 0.45 -0.55 0.43 0.00 -0.26 0.00 0.00 64.21 64.28 1id3 n SER 93 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1id3 n ALA 94 N -2.85 1.75 0.01 7.33 0.00 -1.26 -2.03 120.51 123.46 1id3 n ALA 94 Ca -0.14 0.02 -0.12 0.00 0.00 0.00 0.00 53.44 53.20 1id3 n ALA 94 Cb 0.53 -1.35 0.01 0.00 0.00 0.00 0.00 19.45 18.64 1id3 n ALA 94 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.50 177.41 1id3 h ARG 95 N 0.00 0.57 0.12 0.00 9.65 -1.99 -0.95 114.38 121.78 1id3 h ARG 95 Ca 0.00 -0.43 -0.01 0.00 -1.10 0.00 0.00 59.98 58.45 1id3 h ARG 95 Cb 0.36 0.08 0.00 0.00 -1.39 0.00 0.00 29.97 29.02 1id3 h ARG 95 CO 0.00 1.05 -0.06 0.93 2.80 0.00 0.00 179.97 184.69 1id3 h GLU 96 N 0.40 -0.16 -1.21 0.20 4.39 -1.77 -2.72 114.58 113.71 1id3 h GLU 96 Ca -0.02 0.01 0.36 0.00 0.34 0.00 0.00 59.36 60.05 1id3 h GLU 96 Cb 1.27 0.04 -0.10 0.00 -0.10 0.00 0.00 28.75 29.85 1id3 h GLU 96 CO 0.13 0.32 0.79 0.82 -1.16 0.00 0.00 179.01 179.91 1id3 h ILE 97 N -0.79 0.31 0.19 3.13 1.08 -1.40 0.48 117.51 120.52 1id3 h ILE 97 Ca -0.02 -0.07 -0.01 0.00 -0.39 0.00 0.00 64.86 64.38 1id3 h ILE 97 Cb 0.55 0.09 0.00 0.00 -3.07 0.00 0.00 36.82 34.40 1id3 h ILE 97 CO 0.03 0.04 -0.09 -0.61 -0.69 0.00 0.00 178.15 176.82 1id3 h GLN 98 N 0.20 -0.24 -0.91 2.37 4.15 -1.06 -1.65 115.11 117.96 1id3 h GLN 98 Ca 0.71 0.02 0.26 0.00 0.77 0.00 0.00 58.65 60.40 1id3 h GLN 98 Cb 2.14 0.06 -0.15 0.00 0.21 0.00 0.00 27.48 29.74 1id3 h GLN 98 CO -0.31 -0.16 0.28 1.15 -1.93 0.00 0.00 178.83 177.85 1id3 h THR 99 N -0.50 0.27 -0.13 2.39 2.02 -1.03 0.36 112.91 116.29 1id3 h THR 99 Ca -0.03 -0.07 0.02 0.00 0.77 0.00 0.00 66.41 67.11 1id3 h THR 99 Cb 0.19 0.06 -0.04 0.00 -1.74 0.00 0.00 68.15 66.61 1id3 h THR 99 CO 0.04 0.04 -0.36 0.00 0.37 0.00 0.00 175.52 175.61 1id3 h ALA 100 N 1.82 -0.70 -0.69 6.16 0.00 -0.07 0.96 119.26 126.74 1id3 h ALA 100 Ca 0.60 -0.03 0.15 0.00 0.00 0.00 0.00 54.91 55.62 1id3 h ALA 100 Cb 1.26 0.89 -0.13 0.00 0.00 0.00 0.00 17.79 19.81 1id3 h ALA 100 CO -0.68 -0.84 -0.10 0.28 0.00 0.00 0.00 179.25 177.90 1id3 h VAL 101 N -0.35 0.34 -0.81 0.00 2.07 0.64 0.14 116.25 118.29 1id3 h VAL 101 Ca 0.03 -0.01 0.10 0.00 0.82 0.00 0.00 66.70 67.64 1id3 h VAL 101 Cb 0.43 0.30 -0.08 0.00 -1.52 0.00 0.00 31.29 30.42 1id3 h VAL 101 CO -0.31 0.01 0.44 0.03 0.02 0.00 0.00 177.57 177.76 1id3 h ARG 102 N 0.04 0.71 -0.09 1.57 3.08 0.43 0.54 114.38 120.66 1id3 h ARG 102 Ca 0.35 -0.04 -0.10 0.00 0.07 0.00 0.00 59.98 60.26 1id3 h ARG 102 Cb 0.56 -0.16 0.00 0.00 0.08 0.00 0.00 29.97 30.46 1id3 h ARG 102 CO -0.67 0.47 -0.34 -0.07 -1.07 0.00 0.00 179.97 178.29 1id3 h LEU 103 N 0.73 0.45 -0.90 3.04 3.38 0.76 -3.34 115.31 119.42 1id3 h LEU 103 Ca 0.40 -0.63 0.00 0.00 0.09 0.00 0.00 57.88 57.74 1id3 h LEU 103 Cb 0.41 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 41.03 1id3 h LEU 103 CO -0.27 1.00 0.00 2.30 0.09 0.00 0.00 178.44 181.56 1id3 n ILE 104 N -4.39 0.03 -4.35 1.22 -6.64 0.33 -4.91 119.36 100.65 1id3 n ILE 104 Ca -0.08 -0.24 -0.24 0.00 -1.77 0.00 0.00 62.75 60.41 1id3 n ILE 104 Cb 0.51 0.40 -0.12 0.00 -1.44 0.00 0.00 39.64 38.99 1id3 n ILE 104 CO 0.00 0.00 0.00 -0.76 -1.77 0.00 0.00 176.55 174.02 1id3 s LEU 105 N -1.93 2.38 0.54 7.28 1.43 0.14 -5.05 118.68 123.46 1id3 s LEU 105 Ca 0.38 -0.80 -0.19 0.00 -1.03 0.00 0.00 54.13 52.49 1id3 s LEU 105 Cb 0.20 -0.97 -0.06 0.00 0.03 0.00 0.00 46.19 45.40 1id3 s LEU 105 CO 0.33 0.05 1.09 -2.84 0.23 0.00 0.00 176.35 175.21 1id3 s PRO 106 N -2.41 3.48 0.00 1.29 0.02 -1.26 -4.50 135.00 131.61 1id3 s PRO 106 Ca 0.14 1.46 0.00 0.00 0.02 0.00 0.00 61.00 62.62 1id3 s PRO 106 Cb -0.08 -2.04 0.00 0.00 0.02 0.00 0.00 34.50 32.40 1id3 s PRO 106 CO 0.06 -0.72 0.14 0.41 -0.33 0.00 0.00 177.00 176.56 1id3 n GLY 107 N -0.16 -0.91 0.37 0.52 0.00 -1.26 0.10 105.19 103.86 1id3 n GLY 107 Ca 0.10 0.19 0.12 0.00 0.00 0.00 0.00 46.02 46.44 1id3 n GLY 107 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 1id3 h GLU 108 N 0.00 0.66 -0.14 1.61 4.57 -1.99 0.48 114.58 119.76 1id3 h GLU 108 Ca 0.00 -0.04 -0.13 0.00 -1.18 0.00 0.00 59.36 58.01 1id3 h GLU 108 Cb 0.00 -0.15 0.00 0.00 -0.16 0.00 0.00 28.75 28.45 1id3 h GLU 108 CO 0.00 0.43 -0.43 -0.07 -1.18 0.00 0.00 179.01 177.76 1id3 h LEU 109 N 0.68 0.62 -0.36 1.64 3.38 -1.22 -2.75 115.31 117.30 1id3 h LEU 109 Ca 0.46 -0.60 0.02 0.00 0.09 0.00 0.00 57.88 57.85 1id3 h LEU 109 Cb 0.76 -0.18 -0.03 0.00 0.09 0.00 0.00 40.66 41.30 1id3 h LEU 109 CO -0.21 1.11 0.18 0.00 0.09 0.00 0.00 178.44 179.61 1id3 h ALA 110 N 0.53 0.44 0.17 1.53 0.00 0.23 0.64 119.26 122.80 1id3 h ALA 110 Ca -0.01 0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.90 1id3 h ALA 110 Cb 1.05 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.77 1id3 h ALA 110 CO 0.09 -0.18 -0.25 -0.22 0.00 0.00 0.00 179.25 178.69 1id3 h LYS 111 N 0.38 -0.43 -0.86 0.00 3.64 -0.14 -0.82 116.57 118.34 1id3 h LYS 111 Ca 0.15 0.03 0.14 0.00 -1.27 0.00 0.00 60.65 59.70 1id3 h LYS 111 Cb 0.05 0.10 -0.07 0.00 -0.41 0.00 0.00 32.23 31.90 1id3 h LYS 111 CO -0.10 -0.28 0.56 0.45 -2.27 0.00 0.00 179.45 177.81 1id3 h HIS 112 N -0.44 0.76 0.68 1.91 3.86 -1.36 -2.46 115.15 118.10 1id3 h HIS 112 Ca -0.02 0.02 -0.03 0.00 -1.16 0.00 0.00 60.37 59.18 1id3 h HIS 112 Cb 0.40 -0.24 0.01 0.00 1.06 0.00 0.00 27.41 28.64 1id3 h HIS 112 CO -0.24 0.29 -0.33 0.00 0.86 0.00 0.00 177.93 178.51 1id3 h ALA 113 N 1.61 -1.13 -0.98 2.45 0.00 -0.44 -2.35 119.26 118.42 1id3 h ALA 113 Ca 0.43 -0.20 0.34 0.00 0.00 0.00 0.00 54.91 55.48 1id3 h ALA 113 Cb 0.72 0.35 -0.16 0.00 0.00 0.00 0.00 17.79 18.70 1id3 h ALA 113 CO -0.19 -1.06 0.46 0.28 0.00 0.00 0.00 179.25 178.74 1id3 h VAL 114 N -1.01 0.16 0.00 0.00 2.07 -0.71 0.49 116.25 117.25 1id3 h VAL 114 Ca -0.09 -0.05 0.00 0.00 0.82 0.00 0.00 66.70 67.37 1id3 h VAL 114 Cb 0.70 -0.01 0.00 0.00 -1.52 0.00 0.00 31.29 30.46 1id3 h VAL 114 CO 0.15 0.03 0.00 -0.24 0.02 0.00 0.00 177.57 177.53 1id3 n SER 115 N -5.20 0.00 -0.14 0.57 2.88 -1.00 -0.27 113.62 110.46 1id3 n SER 115 Ca 0.32 0.32 0.14 0.00 -1.33 0.00 0.00 58.87 58.32 1id3 n SER 115 Cb 1.03 0.00 0.25 0.00 -0.75 0.00 0.00 64.21 64.75 1id3 n SER 115 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 1id3 n GLU 116 N -0.34 -0.03 0.38 -1.46 -0.58 -0.82 0.15 120.64 117.95 1id3 n GLU 116 Ca 0.00 0.61 -0.16 0.00 -0.42 0.00 0.00 57.16 57.19 1id3 n GLU 116 Cb 0.00 -1.09 -0.08 0.00 -0.57 0.00 0.00 31.44 29.70 1id3 n GLU 116 CO 0.00 0.00 0.00 0.78 -0.48 0.00 0.00 177.13 177.43 1id3 h GLY 117 N 0.00 -1.04 0.33 0.62 0.00 0.19 -2.28 103.07 100.88 1id3 h GLY 117 Ca 0.37 0.39 0.01 0.00 0.00 0.00 0.00 47.33 48.10 1id3 h GLY 117 CO -0.34 -0.38 -0.43 -0.84 0.00 0.00 0.00 176.54 174.54 1id3 h THR 118 N -1.24 0.14 0.00 4.70 2.02 0.46 -2.66 112.91 116.32 1id3 h THR 118 Ca -0.10 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.08 1id3 h THR 118 Cb 0.78 0.14 0.00 0.00 -1.74 0.00 0.00 68.15 67.32 1id3 h THR 118 CO 0.17 0.00 0.00 -1.14 0.37 0.00 0.00 175.52 174.92 1id3 n ARG 119 N -5.48 0.00 -0.35 6.66 0.63 0.16 -0.69 116.66 117.59 1id3 n ARG 119 Ca -0.08 0.60 0.15 0.00 -0.92 0.00 0.00 57.85 57.60 1id3 n ARG 119 Cb 0.39 -0.96 0.35 0.00 0.45 0.00 0.00 32.46 32.69 1id3 n ARG 119 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 1id3 h ALA 120 N -0.94 1.72 0.00 5.13 0.00 -1.35 0.15 119.26 123.97 1id3 h ALA 120 Ca 0.00 0.10 -0.01 0.00 0.00 0.00 0.00 54.91 54.99 1id3 h ALA 120 Cb 0.00 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 17.75 1id3 h ALA 120 CO 0.00 -0.14 -0.07 0.28 0.00 0.00 0.00 179.25 179.32 1id3 h VAL 121 N 0.69 0.15 0.21 0.00 2.07 -0.76 0.33 116.25 118.94 1id3 h VAL 121 Ca 0.61 -0.89 -0.30 0.00 0.82 0.00 0.00 66.70 66.94 1id3 h VAL 121 Cb 1.04 1.78 0.03 0.00 -1.52 0.00 0.00 31.29 32.61 1id3 h VAL 121 CO -0.42 0.07 -1.36 0.74 0.02 0.00 0.00 177.57 176.62 1id3 h THR 122 N 0.00 1.26 0.00 2.57 2.02 0.15 -3.17 112.91 115.74 1id3 h THR 122 Ca -0.00 -2.61 0.00 0.00 0.77 0.00 0.00 66.41 64.57 1id3 h THR 122 Cb 0.77 3.02 0.00 0.00 -1.74 0.00 0.00 68.15 70.20 1id3 h THR 122 CO 0.01 0.79 0.00 0.50 0.37 0.00 0.00 175.52 177.19 1id3 h LYS 123 N -0.02 0.00 0.00 6.66 3.64 -0.77 -0.88 116.57 125.19 1id3 h LYS 123 Ca -0.25 0.00 -0.10 0.00 -1.27 0.00 0.00 60.65 59.04 1id3 h LYS 123 Cb 2.00 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 33.81 1id3 h LYS 123 CO 0.21 0.00 -0.57 -0.92 -2.27 0.00 0.00 179.45 175.90 1id3 h TYR 124 N 0.00 0.00 0.00 1.91 3.20 -0.94 -3.04 116.97 118.10 1id3 h TYR 124 Ca 0.00 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.87 1id3 h TYR 124 Cb 0.47 0.00 0.00 0.00 1.54 0.00 0.00 36.73 38.74 1id3 h TYR 124 CO 0.00 0.43 -1.17 0.43 -1.64 0.00 0.00 178.16 176.21 1id3 n SER 125 N -3.14 0.57 -0.13 -2.11 7.64 -0.86 -3.85 113.62 111.73 1id3 n SER 125 Ca 0.01 -0.22 -0.13 0.00 1.01 0.00 0.00 58.87 59.54 1id3 n SER 125 Cb 0.71 0.97 -0.02 0.00 -1.01 0.00 0.00 64.21 64.87 1id3 n SER 125 CO 0.00 0.00 0.00 0.77 -3.01 0.00 0.00 175.04 172.80 1id3 h SER 126 N 0.00 1.02 0.00 6.43 4.64 -1.12 -1.67 113.55 122.84 1id3 h SER 126 Ca 0.00 -0.45 -0.00 0.00 -0.47 0.00 0.00 61.79 60.87 1id3 h SER 126 Cb 0.77 -0.28 -0.00 0.00 -0.31 0.00 0.00 62.40 62.57 1id3 h SER 126 CO 0.00 1.25 0.00 -1.20 -0.87 0.00 0.00 176.83 176.02 1id3 n SER 127 N -4.07 2.89 0.00 4.97 7.64 -1.16 -5.09 113.62 118.81 1id3 n SER 127 Ca -0.02 -1.77 0.00 0.00 1.01 0.00 0.00 58.87 58.09 1id3 n SER 127 Cb 0.53 -0.62 0.00 0.00 -1.01 0.00 0.00 64.21 63.11 1id3 n SER 127 CO 0.00 0.00 0.00 1.07 -3.01 0.00 0.00 175.04 173.10