#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1id3 s ARG 36 N 0.00 4.45 -0.03 1.45 1.70 -1.26 -5.07 118.95 120.18 1id3 s ARG 36 Ca 0.00 1.04 0.01 0.00 -0.47 0.00 0.00 55.73 56.32 1id3 s ARG 36 Cb 0.00 -3.13 0.01 0.00 -0.57 0.00 0.00 34.95 31.26 1id3 s ARG 36 CO 0.00 0.52 -0.05 0.21 -1.08 0.00 0.00 175.30 174.90 1id3 s LYS 37 N -1.42 0.72 0.14 3.89 2.36 -1.26 -5.15 119.74 119.02 1id3 s LYS 37 Ca 0.38 -0.13 0.09 0.00 -2.55 0.00 0.00 55.97 53.76 1id3 s LYS 37 Cb -0.21 -0.72 -0.04 0.00 -1.05 0.00 0.00 37.83 35.81 1id3 s LYS 37 CO 0.24 -0.02 -0.16 -1.83 1.55 0.00 0.00 175.35 175.13 1id3 s GLU 38 N 0.61 1.84 0.00 4.03 -1.05 -1.26 -5.14 118.70 117.73 1id3 s GLU 38 Ca -0.08 -1.22 0.00 0.00 -0.15 0.00 0.00 54.97 53.52 1id3 s GLU 38 Cb -0.11 -2.11 0.00 0.00 -0.44 0.00 0.00 34.13 31.47 1id3 s GLU 38 CO 0.00 0.47 0.00 0.25 0.95 0.00 0.00 175.26 176.93 1id3 n THR 39 N 0.58 0.00 0.80 1.83 -2.24 -1.26 -5.04 114.28 108.95 1id3 n THR 39 Ca -0.14 0.00 0.10 0.00 -2.27 0.00 0.00 64.05 61.74 1id3 n THR 39 Cb 0.53 0.00 0.10 0.00 -2.10 0.00 0.00 70.33 68.86 1id3 n THR 39 CO 0.00 0.00 0.00 -1.22 -0.57 0.00 0.00 175.07 173.28 1id3 n TYR 40 N 0.00 0.04 -0.24 4.78 4.02 -1.26 -4.73 117.16 119.77 1id3 n TYR 40 Ca 0.00 -0.03 -0.08 0.00 -0.01 0.00 0.00 57.90 57.79 1id3 n TYR 40 Cb 0.00 -0.00 -0.07 0.00 -0.02 0.00 0.00 39.34 39.25 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 4.04 -1.38 -0.88 7.72 0.02 -1.96 0.25 113.55 121.35 1id3 h SER 41 Ca 0.00 0.20 0.09 0.00 -0.84 0.00 0.00 61.79 61.25 1id3 h SER 41 Cb 0.86 0.60 -0.12 0.00 0.14 0.00 0.00 62.40 63.89 1id3 h SER 41 CO 0.00 -0.18 -0.54 0.77 -1.14 0.00 0.00 176.83 175.75 1id3 h SER 42 N -0.06 -1.95 0.15 3.07 4.64 -1.99 0.25 113.55 117.67 1id3 h SER 42 Ca 0.09 0.31 -0.00 0.00 -0.47 0.00 0.00 61.79 61.72 1id3 h SER 42 Cb 0.30 0.88 -0.01 0.00 -0.31 0.00 0.00 62.40 63.25 1id3 h SER 42 CO -0.57 -0.27 -0.16 1.88 -0.87 0.00 0.00 176.83 176.84 1id3 h TYR 43 N -0.07 -0.44 -0.70 4.77 -1.99 -1.70 0.13 116.97 116.97 1id3 h TYR 43 Ca 0.18 0.00 0.13 0.00 2.00 0.00 0.00 58.73 61.05 1id3 h TYR 43 Cb 0.48 0.17 -0.13 0.00 2.00 0.00 0.00 36.73 39.25 1id3 h TYR 43 CO -0.94 -0.21 -0.20 -0.89 -0.00 0.00 0.00 178.16 175.93 1id3 n ILE 44 N -3.28 -0.31 -0.07 -2.88 2.08 0.82 0.80 119.36 116.51 1id3 n ILE 44 Ca -0.04 1.61 -0.10 0.00 0.56 0.00 0.00 62.75 64.78 1id3 n ILE 44 Cb 0.14 -2.20 -0.03 0.00 -0.75 0.00 0.00 39.64 36.80 1id3 n ILE 44 CO 0.00 0.00 0.00 0.22 0.56 0.00 0.00 176.55 177.33 1id3 h TYR 45 N 0.00 0.36 -0.60 1.39 3.20 0.06 -0.34 116.97 121.04 1id3 h TYR 45 Ca 0.32 -0.02 -0.02 0.00 3.14 0.00 0.00 58.73 62.15 1id3 h TYR 45 Cb 0.49 -0.11 -0.03 0.00 1.54 0.00 0.00 36.73 38.62 1id3 h TYR 45 CO -0.55 0.33 0.31 0.87 -1.64 0.00 0.00 178.16 177.48 1id3 h LYS 46 N 0.28 0.85 -0.75 1.82 1.57 0.32 -0.16 116.57 120.50 1id3 h LYS 46 Ca 0.09 -0.11 -0.02 0.00 -1.87 0.00 0.00 60.65 58.74 1id3 h LYS 46 Cb 0.10 -0.16 -0.04 0.00 0.08 0.00 0.00 32.23 32.22 1id3 h LYS 46 CO -0.01 0.67 0.40 0.28 -0.57 0.00 0.00 179.45 180.21 1id3 h VAL 47 N 0.82 1.23 0.63 0.50 2.07 -0.71 0.29 116.25 121.07 1id3 h VAL 47 Ca 0.21 -0.61 -0.02 0.00 0.82 0.00 0.00 66.70 67.10 1id3 h VAL 47 Cb 0.08 0.25 -0.01 0.00 -1.52 0.00 0.00 31.29 30.09 1id3 h VAL 47 CO -0.03 0.26 -0.42 0.25 0.02 0.00 0.00 177.57 177.65 1id3 h LEU 48 N 1.05 -1.08 -1.18 2.57 5.85 -0.45 -3.03 115.31 119.05 1id3 h LEU 48 Ca 0.26 0.07 0.10 0.00 0.84 0.00 0.00 57.88 59.15 1id3 h LEU 48 Cb 0.06 0.33 -0.07 0.00 0.37 0.00 0.00 40.66 41.35 1id3 h LEU 48 CO -0.04 -0.64 0.58 0.11 -0.34 0.00 0.00 178.44 178.12 1id3 h LYS 49 N -1.00 0.88 -0.15 1.25 1.79 -0.74 -1.95 116.57 116.65 1id3 h LYS 49 Ca -0.08 -0.05 0.02 0.00 -2.18 0.00 0.00 60.65 58.36 1id3 h LYS 49 Cb 0.82 -0.20 -0.03 0.00 -1.58 0.00 0.00 32.23 31.25 1id3 h LYS 49 CO 0.06 0.58 -0.16 1.96 -1.08 0.00 0.00 179.45 180.81 1id3 h GLN 50 N 0.90 -0.09 0.03 3.15 4.20 -0.30 -2.95 115.11 120.04 1id3 h GLN 50 Ca 0.42 0.01 -0.00 0.00 0.06 0.00 0.00 58.65 59.14 1id3 h GLN 50 Cb 0.41 0.02 0.00 0.00 0.30 0.00 0.00 27.48 28.21 1id3 h GLN 50 CO -0.18 -0.06 -0.01 1.15 -0.67 0.00 0.00 178.83 179.05 1id3 h THR 51 N -0.09 1.38 -3.45 -0.54 2.02 -1.60 -3.40 112.91 107.23 1id3 h THR 51 Ca 0.02 -1.36 -0.65 0.00 0.77 0.00 0.00 66.41 65.20 1id3 h THR 51 Cb 0.16 2.28 -0.41 0.00 -1.74 0.00 0.00 68.15 68.44 1id3 h THR 51 CO -0.19 0.34 -0.64 -1.00 0.37 0.00 0.00 175.52 174.41 1id3 s HIS 52 N -3.76 3.30 0.17 3.16 3.76 -0.74 -4.98 115.29 116.20 1id3 s HIS 52 Ca -0.16 -3.13 -0.14 0.00 -0.15 0.00 0.00 55.06 51.49 1id3 s HIS 52 Cb 0.01 -2.86 0.11 0.00 1.11 0.00 0.00 32.58 30.95 1id3 s HIS 52 CO 0.65 -0.79 1.79 -1.35 -0.85 0.00 0.00 174.74 174.19 1id3 h PRO 53 N 6.73 0.48 -2.69 8.40 0.11 -1.75 -3.28 132.00 140.01 1id3 h PRO 53 Ca -0.07 -0.03 -0.80 0.00 0.11 0.00 0.00 66.00 65.21 1id3 h PRO 53 Cb 0.92 -0.11 -0.24 0.00 0.11 0.00 0.00 31.00 31.68 1id3 h PRO 53 CO 0.66 0.32 1.22 -3.47 -0.21 0.00 0.00 178.00 176.52 1id3 n ASP 54 N -4.88 6.84 -3.68 -2.05 4.64 -1.26 -4.83 116.55 111.33 1id3 n ASP 54 Ca 0.04 -3.45 -0.10 0.00 -1.38 0.00 0.00 54.79 49.89 1id3 n ASP 54 Cb 0.12 -1.27 -0.09 0.00 -1.04 0.00 0.00 41.12 38.83 1id3 n ASP 54 CO 0.00 0.00 0.00 -0.89 -0.82 0.00 0.00 177.20 175.49 1id3 s THR 55 N -2.84 -0.01 0.31 5.18 2.01 -1.24 -5.19 115.64 113.87 1id3 s THR 55 Ca 0.38 0.05 0.00 0.00 0.31 0.00 0.00 61.69 62.43 1id3 s THR 55 Cb 0.12 -0.73 0.00 0.00 0.01 0.00 0.00 72.50 71.91 1id3 s THR 55 CO -0.02 0.02 0.02 0.61 -0.69 0.00 0.00 174.62 174.56 1id3 n GLY 56 N 3.95 3.73 2.79 4.40 0.00 -1.26 -4.81 105.19 113.99 1id3 n GLY 56 Ca -0.20 -2.30 -0.17 0.00 0.00 0.00 0.00 46.02 43.34 1id3 n GLY 56 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 1id3 s ILE 57 N -2.08 -0.18 0.91 -0.61 2.07 -1.26 -5.15 121.20 114.90 1id3 s ILE 57 Ca 0.02 0.35 -0.10 0.00 -1.41 0.00 0.00 60.65 59.51 1id3 s ILE 57 Cb -0.00 -0.23 0.14 0.00 0.13 0.00 0.00 42.46 42.50 1id3 s ILE 57 CO 0.01 0.15 1.14 -0.94 -1.91 0.00 0.00 174.94 173.39 1id3 s SER 58 N 2.05 2.99 0.10 4.50 1.04 -1.26 -4.79 113.70 118.34 1id3 s SER 58 Ca 0.02 2.15 -0.35 0.00 0.48 0.00 0.00 55.95 58.24 1id3 s SER 58 Cb -0.12 -2.56 -0.15 0.00 0.10 0.00 0.00 66.02 63.29 1id3 s SER 58 CO -0.05 -3.05 1.56 1.56 0.98 0.00 0.00 173.24 174.25 1id3 h GLN 59 N -1.83 -0.81 -0.41 4.02 1.08 -2.01 -1.98 115.11 113.17 1id3 h GLN 59 Ca -0.44 0.06 0.06 0.00 -1.45 0.00 0.00 58.65 56.88 1id3 h GLN 59 Cb 1.27 0.18 -0.05 0.00 -0.05 0.00 0.00 27.48 28.83 1id3 h GLN 59 CO 0.42 -0.54 0.11 -0.22 -0.95 0.00 0.00 178.83 177.65 1id3 h LYS 60 N -0.84 0.24 -0.81 1.46 3.64 -1.99 -1.95 116.57 116.32 1id3 h LYS 60 Ca -0.02 -0.01 0.18 0.00 -1.27 0.00 0.00 60.65 59.52 1id3 h LYS 60 Cb 0.80 -0.05 -0.15 0.00 -0.41 0.00 0.00 32.23 32.42 1id3 h LYS 60 CO -0.20 0.16 -0.10 0.77 -2.27 0.00 0.00 179.45 177.81 1id3 h SER 61 N 0.25 -0.57 -0.05 4.20 0.02 -1.83 0.69 113.55 116.26 1id3 h SER 61 Ca 0.19 0.23 -0.07 0.00 -0.84 0.00 0.00 61.79 61.30 1id3 h SER 61 Cb 0.21 0.44 -0.01 0.00 0.14 0.00 0.00 62.40 63.18 1id3 h SER 61 CO -0.23 -0.24 -0.17 -0.03 -1.14 0.00 0.00 176.83 175.01 1id3 h MET 62 N 0.04 0.41 -0.27 3.45 1.85 -0.66 0.12 114.93 119.86 1id3 h MET 62 Ca 0.42 -0.12 -0.12 0.00 -0.61 0.00 0.00 59.70 59.27 1id3 h MET 62 Cb 0.71 -0.04 -0.01 0.00 0.43 0.00 0.00 31.60 32.69 1id3 h MET 62 CO -0.78 0.57 -0.32 1.03 -0.40 0.00 0.00 176.91 177.01 1id3 h SER 63 N 0.37 0.59 -0.06 1.39 0.87 0.90 -1.66 113.55 115.96 1id3 h SER 63 Ca 0.07 -0.23 -0.07 0.00 -1.23 0.00 0.00 61.79 60.32 1id3 h SER 63 Cb 0.52 -0.16 0.00 0.00 -0.44 0.00 0.00 62.40 62.32 1id3 h SER 63 CO 0.03 0.88 -0.25 0.40 -0.53 0.00 0.00 176.83 177.36 1id3 h ILE 64 N 0.49 1.45 0.00 2.23 2.04 0.13 -2.55 117.51 121.30 1id3 h ILE 64 Ca 0.06 -1.69 -0.02 0.00 1.00 0.00 0.00 64.86 64.21 1id3 h ILE 64 Cb 0.79 2.38 -0.00 0.00 -0.74 0.00 0.00 36.82 39.25 1id3 h ILE 64 CO 0.06 0.48 -0.11 -0.07 0.00 0.00 0.00 178.15 178.51 1id3 h LEU 65 N -0.26 0.00 -0.09 1.44 3.38 -0.76 -0.66 115.31 118.37 1id3 h LEU 65 Ca -0.02 0.00 -0.10 0.00 0.09 0.00 0.00 57.88 57.85 1id3 h LEU 65 Cb 0.90 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.66 1id3 h LEU 65 CO 0.05 0.11 -0.34 -1.13 0.09 0.00 0.00 178.44 177.22 1id3 h ASN 66 N 0.00 0.45 -0.32 -0.43 -1.24 -1.21 -2.52 115.58 110.31 1id3 h ASN 66 Ca -0.00 -0.63 -0.04 0.00 0.71 0.00 0.00 56.30 56.34 1id3 h ASN 66 Cb 0.30 -0.13 -0.02 0.00 0.73 0.00 0.00 38.32 39.20 1id3 h ASN 66 CO 0.01 1.00 0.09 0.28 -1.29 0.00 0.00 177.43 177.52 1id3 h SER 67 N -0.08 0.54 -0.14 1.15 0.02 -0.99 -1.67 113.55 112.39 1id3 h SER 67 Ca -0.02 -0.08 0.01 0.00 -0.84 0.00 0.00 61.79 60.86 1id3 h SER 67 Cb 0.98 -0.14 -0.01 0.00 0.14 0.00 0.00 62.40 63.37 1id3 h SER 67 CO 0.07 0.55 0.06 0.15 -1.14 0.00 0.00 176.83 176.52 1id3 h PHE 68 N 0.58 0.12 0.19 3.45 3.57 -1.05 1.09 116.94 124.88 1id3 h PHE 68 Ca 0.13 0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.63 1id3 h PHE 68 Cb 0.23 -0.03 0.00 0.00 2.79 0.00 0.00 35.95 38.94 1id3 h PHE 68 CO 0.01 0.07 -0.09 0.28 -2.23 0.00 0.00 178.31 176.35 1id3 h VAL 69 N 0.14 0.83 -0.78 1.41 2.07 -1.01 -0.30 116.25 118.61 1id3 h VAL 69 Ca 0.05 -0.06 0.02 0.00 0.82 0.00 0.00 66.70 67.54 1id3 h VAL 69 Cb 0.01 0.86 -0.04 0.00 -1.52 0.00 0.00 31.29 30.60 1id3 h VAL 69 CO -0.04 0.01 0.50 0.78 0.02 0.00 0.00 177.57 178.85 1id3 h ASN 70 N -0.28 0.85 0.13 0.57 2.35 -1.14 0.64 115.58 118.71 1id3 h ASN 70 Ca -0.03 -0.01 0.02 0.00 -0.55 0.00 0.00 56.30 55.73 1id3 h ASN 70 Cb 0.21 -0.20 -0.04 0.00 0.05 0.00 0.00 38.32 38.34 1id3 h ASN 70 CO 0.04 0.60 -0.37 -0.78 -1.65 0.00 0.00 177.43 175.27 1id3 h ASP 71 N 1.00 -1.08 -0.47 5.81 1.82 0.17 -1.15 116.42 122.53 1id3 h ASP 71 Ca 0.30 0.12 -0.11 0.00 -0.39 0.00 0.00 57.03 56.95 1id3 h ASP 71 Cb -0.04 0.41 -0.01 0.00 0.68 0.00 0.00 39.33 40.36 1id3 h ASP 71 CO -0.09 -0.45 -0.14 0.40 -1.61 0.00 0.00 179.24 177.35 1id3 h ILE 72 N -0.61 1.27 -0.52 2.25 1.08 -0.74 -1.66 117.51 118.58 1id3 h ILE 72 Ca 0.03 -1.28 0.10 0.00 -0.39 0.00 0.00 64.86 63.32 1id3 h ILE 72 Cb 0.63 1.12 -0.11 0.00 -3.07 0.00 0.00 36.82 35.40 1id3 h ILE 72 CO -0.21 0.44 -0.33 0.15 -0.69 0.00 0.00 178.15 177.51 1id3 h PHE 73 N 0.77 -0.91 -0.04 1.37 3.57 0.77 0.14 116.94 122.60 1id3 h PHE 73 Ca 0.12 0.07 -0.00 0.00 3.53 0.00 0.00 57.97 61.68 1id3 h PHE 73 Cb 0.70 0.48 -0.00 0.00 2.79 0.00 0.00 35.95 39.91 1id3 h PHE 73 CO 0.05 -0.38 0.03 1.49 -2.23 0.00 0.00 178.31 177.27 1id3 h GLU 74 N -0.19 0.06 -0.83 1.11 4.57 -1.07 -0.02 114.58 118.20 1id3 h GLU 74 Ca 0.21 -0.01 0.09 0.00 -1.18 0.00 0.00 59.36 58.48 1id3 h GLU 74 Cb 0.54 -0.01 -0.12 0.00 -0.16 0.00 0.00 28.75 29.00 1id3 h GLU 74 CO -0.63 0.09 -0.54 0.00 -1.18 0.00 0.00 179.01 176.76 1id3 h ARG 75 N 0.01 -0.10 0.84 1.92 2.47 0.01 0.31 114.38 119.84 1id3 h ARG 75 Ca 0.02 0.01 -0.04 0.00 -1.26 0.00 0.00 59.98 58.70 1id3 h ARG 75 Cb 0.05 0.02 0.01 0.00 -1.65 0.00 0.00 29.97 28.40 1id3 h ARG 75 CO -0.00 -0.07 -0.40 0.82 0.56 0.00 0.00 179.97 180.88 1id3 h ILE 76 N -0.11 0.02 -0.78 2.04 2.04 -0.62 -2.23 117.51 117.88 1id3 h ILE 76 Ca 0.17 -0.17 0.21 0.00 1.00 0.00 0.00 64.86 66.07 1id3 h ILE 76 Cb 0.49 0.03 -0.04 0.00 -0.74 0.00 0.00 36.82 36.56 1id3 h ILE 76 CO -0.85 0.00 0.55 0.00 0.00 0.00 0.00 178.15 177.85 1id3 h ALA 77 N -1.27 2.56 -0.02 1.87 0.00 -0.67 -0.52 119.26 121.21 1id3 h ALA 77 Ca -0.12 -0.01 -0.08 0.00 0.00 0.00 0.00 54.91 54.70 1id3 h ALA 77 Cb 0.87 0.03 0.01 0.00 0.00 0.00 0.00 17.79 18.69 1id3 h ALA 77 CO 0.19 -0.78 -0.29 1.15 0.00 0.00 0.00 179.25 179.51 1id3 h THR 78 N 0.12 1.50 -0.58 0.00 2.02 -0.28 -0.96 112.91 114.73 1id3 h THR 78 Ca 0.38 -1.89 0.00 0.00 0.77 0.00 0.00 66.41 65.67 1id3 h THR 78 Cb 1.32 2.63 -0.03 0.00 -1.74 0.00 0.00 68.15 70.34 1id3 h THR 78 CO -0.05 0.52 0.37 -0.08 0.37 0.00 0.00 175.52 176.65 1id3 h GLU 79 N -0.38 0.78 -0.05 6.66 4.22 -0.66 -0.93 114.58 124.21 1id3 h GLU 79 Ca -0.03 -0.06 -0.00 0.00 0.08 0.00 0.00 59.36 59.35 1id3 h GLU 79 Cb 1.01 -0.17 -0.00 0.00 0.50 0.00 0.00 28.75 30.09 1id3 h GLU 79 CO 0.06 0.53 0.03 0.00 -2.18 0.00 0.00 179.01 177.45 1id3 h ALA 80 N 1.61 0.06 -0.65 2.92 0.00 -1.12 0.47 119.26 122.55 1id3 h ALA 80 Ca 0.21 -0.03 0.13 0.00 0.00 0.00 0.00 54.91 55.22 1id3 h ALA 80 Cb -0.06 -0.02 -0.09 0.00 0.00 0.00 0.00 17.79 17.62 1id3 h ALA 80 CO -0.04 -0.42 0.15 1.03 0.00 0.00 0.00 179.25 179.97 1id3 h SER 81 N 0.01 0.02 -0.29 0.00 0.87 0.10 -0.74 113.55 113.53 1id3 h SER 81 Ca 0.02 0.12 -0.10 0.00 -1.23 0.00 0.00 61.79 60.60 1id3 h SER 81 Cb 0.05 0.16 -0.02 0.00 -0.44 0.00 0.00 62.40 62.15 1id3 h SER 81 CO -0.00 0.00 -0.15 0.11 -0.53 0.00 0.00 176.83 176.26 1id3 h LYS 82 N 0.28 0.73 0.05 2.24 1.57 -0.62 -1.53 116.57 119.29 1id3 h LYS 82 Ca 0.35 -0.25 -0.00 0.00 -1.87 0.00 0.00 60.65 58.87 1id3 h LYS 82 Cb 0.54 -0.06 -0.00 0.00 0.08 0.00 0.00 32.23 32.79 1id3 h LYS 82 CO -0.43 0.84 -0.05 -0.07 -0.57 0.00 0.00 179.45 179.17 1id3 h LEU 83 N 0.66 -0.13 -0.60 2.94 3.38 0.56 0.39 115.31 122.51 1id3 h LEU 83 Ca 0.11 0.01 0.09 0.00 0.09 0.00 0.00 57.88 58.18 1id3 h LEU 83 Cb 0.62 0.04 -0.11 0.00 0.09 0.00 0.00 40.66 41.30 1id3 h LEU 83 CO 0.04 -0.07 -0.44 0.00 0.09 0.00 0.00 178.44 178.07 1id3 h ALA 84 N -1.69 -0.32 -0.71 1.53 0.00 -1.42 0.54 119.26 117.19 1id3 h ALA 84 Ca -0.01 0.11 0.14 0.00 0.00 0.00 0.00 54.91 55.15 1id3 h ALA 84 Cb 0.09 0.97 -0.13 0.00 0.00 0.00 0.00 17.79 18.71 1id3 h ALA 84 CO -0.00 -0.82 -0.22 0.00 0.00 0.00 0.00 179.25 178.20 1id3 h ALA 85 N 0.64 0.37 -0.20 0.00 0.00 -1.13 0.56 119.26 119.50 1id3 h ALA 85 Ca 0.18 0.26 0.06 0.00 0.00 0.00 0.00 54.91 55.41 1id3 h ALA 85 Cb 0.56 0.61 -0.01 0.00 0.00 0.00 0.00 17.79 18.96 1id3 h ALA 85 CO -0.70 -0.47 0.18 1.88 0.00 0.00 0.00 179.25 180.14 1id3 h TYR 86 N -0.03 0.00 -1.49 0.00 0.05 0.45 -2.76 116.97 113.19 1id3 h TYR 86 Ca 0.33 0.00 -0.64 0.00 0.05 0.00 0.00 58.73 58.47 1id3 h TYR 86 Cb 0.54 0.00 -0.37 0.00 1.01 0.00 0.00 36.73 37.91 1id3 h TYR 86 CO -0.60 0.00 -0.17 0.09 -1.05 0.00 0.00 178.16 176.43 1id3 n ASN 87 N -4.03 5.69 -2.51 3.88 3.02 0.19 -4.92 115.26 116.57 1id3 n ASN 87 Ca 0.02 -3.76 -0.14 0.00 -0.03 0.00 0.00 54.58 50.67 1id3 n ASN 87 Cb 0.31 -0.64 -0.03 0.00 -0.61 0.00 0.00 39.78 38.82 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 -0.56 -1.25 -4.26 3.52 5.02 -1.04 -4.84 118.16 114.74 1id3 n LYS 88 Ca 0.45 0.05 -0.34 0.00 -2.02 0.00 0.00 58.31 56.45 1id3 n LYS 88 Cb 0.60 -2.34 -0.11 0.00 -0.02 0.00 0.00 35.03 33.16 1id3 n LYS 88 CO 0.00 0.00 0.00 0.21 -0.52 0.00 0.00 177.40 177.09 1id3 s LYS 89 N -3.59 3.78 -0.05 1.97 2.20 -1.03 -5.00 119.74 118.02 1id3 s LYS 89 Ca 0.28 -0.46 0.07 0.00 -0.36 0.00 0.00 55.97 55.50 1id3 s LYS 89 Cb -0.16 -3.02 0.29 0.00 -1.51 0.00 0.00 37.83 33.43 1id3 s LYS 89 CO 0.34 0.25 1.08 0.43 -0.36 0.00 0.00 175.35 177.10 1id3 n SER 90 N 3.53 2.26 -4.07 1.43 7.64 -1.26 -4.12 113.62 119.03 1id3 n SER 90 Ca -0.17 -2.20 -0.10 0.00 1.01 0.00 0.00 58.87 57.41 1id3 n SER 90 Cb 0.52 -0.40 -0.11 0.00 -1.01 0.00 0.00 64.21 63.21 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 -1.65 0.39 -0.39 0.44 2.01 -1.26 -5.10 115.64 110.07 1id3 s THR 91 Ca 0.20 -1.42 -0.10 0.00 0.31 0.00 0.00 61.69 60.69 1id3 s THR 91 Cb 0.13 -1.00 0.05 0.00 0.01 0.00 0.00 72.50 71.69 1id3 s THR 91 CO 0.09 -0.68 0.22 -0.63 -0.69 0.00 0.00 174.62 172.93 1id3 s ILE 92 N -2.55 4.35 0.00 1.82 -1.09 -1.26 -4.77 121.20 117.70 1id3 s ILE 92 Ca -0.02 -1.11 0.00 0.00 -2.23 0.00 0.00 60.65 57.29 1id3 s ILE 92 Cb -0.02 -3.53 0.00 0.00 -1.58 0.00 0.00 42.46 37.33 1id3 s ILE 92 CO -0.04 -0.34 0.00 -1.54 -1.23 0.00 0.00 174.94 171.79 1id3 n SER 93 N 4.95 0.00 -0.02 3.58 3.41 -1.26 -4.98 113.62 119.30 1id3 n SER 93 Ca -0.11 0.00 -0.04 0.00 -0.26 0.00 0.00 58.87 58.45 1id3 n SER 93 Cb 0.45 0.00 -0.13 0.00 -0.26 0.00 0.00 64.21 64.27 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 -3.00 1.75 -0.16 7.33 0.00 -1.26 -3.67 120.51 121.50 1id3 n ALA 94 Ca 0.00 -0.80 0.05 0.00 0.00 0.00 0.00 53.44 52.69 1id3 n ALA 94 Cb 0.00 -0.72 0.35 0.00 0.00 0.00 0.00 19.45 19.07 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 0.75 0.48 0.00 2.43 -1.98 0.38 114.38 116.44 1id3 h ARG 95 Ca -0.28 -0.04 -0.02 0.00 -0.81 0.00 0.00 59.98 58.82 1id3 h ARG 95 Cb 1.84 -0.17 0.00 0.00 -0.42 0.00 0.00 29.97 31.23 1id3 h ARG 95 CO 0.05 0.49 -0.23 0.93 -1.51 0.00 0.00 179.97 179.70 1id3 h GLU 96 N 0.77 -0.62 -0.86 0.20 3.07 -1.94 -1.00 114.58 114.19 1id3 h GLU 96 Ca 0.28 0.04 0.25 0.00 -0.50 0.00 0.00 59.36 59.43 1id3 h GLU 96 Cb 0.14 0.14 -0.03 0.00 -0.84 0.00 0.00 28.75 28.16 1id3 h GLU 96 CO -0.08 -0.34 0.78 0.82 -1.40 0.00 0.00 179.01 178.79 1id3 h ILE 97 N -1.07 0.30 0.08 3.13 1.08 -1.52 0.37 117.51 119.87 1id3 h ILE 97 Ca -0.07 0.00 -0.00 0.00 -0.39 0.00 0.00 64.86 64.40 1id3 h ILE 97 Cb 0.57 0.41 0.00 0.00 -3.07 0.00 0.00 36.82 34.73 1id3 h ILE 97 CO 0.11 0.00 -0.04 1.56 -0.69 0.00 0.00 178.15 179.09 1id3 h GLN 98 N 0.00 -0.11 -0.86 2.37 4.20 0.31 -2.25 115.11 118.77 1id3 h GLN 98 Ca 0.41 0.01 0.21 0.00 0.06 0.00 0.00 58.65 59.34 1id3 h GLN 98 Cb 1.97 0.02 -0.12 0.00 0.30 0.00 0.00 27.48 29.65 1id3 h GLN 98 CO -0.00 -0.07 0.31 1.15 -0.67 0.00 0.00 178.83 179.55 1id3 h THR 99 N -0.23 0.45 0.00 -0.54 2.02 -0.48 0.14 112.91 114.26 1id3 h THR 99 Ca -0.01 -0.11 0.00 0.00 0.77 0.00 0.00 66.41 67.05 1id3 h THR 99 Cb 0.09 0.09 0.00 0.00 -1.74 0.00 0.00 68.15 66.58 1id3 h THR 99 CO 0.02 0.06 0.00 0.00 0.37 0.00 0.00 175.52 175.97 1id3 n ALA 100 N -2.58 -0.28 -0.27 6.16 0.00 0.05 0.02 120.51 123.62 1id3 n ALA 100 Ca 0.20 0.00 0.25 0.00 0.00 0.00 0.00 53.44 53.89 1id3 n ALA 100 Cb 0.62 0.19 0.46 0.00 0.00 0.00 0.00 19.45 20.71 1id3 n ALA 100 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1id3 n VAL 101 N -2.25 -0.34 -0.15 0.00 0.31 -0.33 0.23 118.33 115.80 1id3 n VAL 101 Ca 0.00 1.68 -0.10 0.00 -0.01 0.00 0.00 64.34 65.91 1id3 n VAL 101 Cb 0.00 -2.70 -0.01 0.00 -0.91 0.00 0.00 33.84 30.22 1id3 n VAL 101 CO 0.00 0.00 0.00 -0.09 -1.32 0.00 0.00 176.83 175.42 1id3 h ARG 102 N 0.00 0.72 0.09 5.55 2.43 0.91 -1.99 114.38 122.09 1id3 h ARG 102 Ca 0.67 -0.20 -0.00 0.00 -0.81 0.00 0.00 59.98 59.64 1id3 h ARG 102 Cb 1.75 -0.08 0.00 0.00 -0.42 0.00 0.00 29.97 31.22 1id3 h ARG 102 CO -0.65 0.76 -0.04 -0.07 -1.51 0.00 0.00 179.97 178.45 1id3 h LEU 103 N 0.58 -0.10 0.41 3.80 3.38 0.68 -3.38 115.31 120.68 1id3 h LEU 103 Ca 0.13 -0.46 -0.02 0.00 0.09 0.00 0.00 57.88 57.62 1id3 h LEU 103 Cb 0.39 0.03 0.00 0.00 0.09 0.00 0.00 40.66 41.17 1id3 h LEU 103 CO 0.01 0.45 -0.20 0.40 0.09 0.00 0.00 178.44 179.19 1id3 h ILE 104 N -0.71 0.59 -3.97 1.22 5.03 -1.07 -3.44 117.51 115.16 1id3 h ILE 104 Ca -0.01 0.00 -0.45 0.00 -0.12 0.00 0.00 64.86 64.27 1id3 h ILE 104 Cb 0.55 0.59 -0.02 0.00 -3.03 0.00 0.00 36.82 34.91 1id3 h ILE 104 CO 0.02 0.00 0.29 -0.76 -0.68 0.00 0.00 178.15 177.02 1id3 s LEU 105 N -10.11 4.01 0.94 1.44 1.43 -0.75 -5.07 118.68 110.57 1id3 s LEU 105 Ca -0.16 1.62 -0.12 0.00 -1.03 0.00 0.00 54.13 54.43 1id3 s LEU 105 Cb 0.04 -4.38 0.15 0.00 0.03 0.00 0.00 46.19 42.03 1id3 s LEU 105 CO 0.64 -0.30 1.13 -2.84 0.23 0.00 0.00 176.35 175.21 1id3 s PRO 106 N -3.02 0.93 0.00 1.29 0.02 -1.26 -4.55 135.00 128.42 1id3 s PRO 106 Ca 0.59 0.31 0.00 0.00 0.02 0.00 0.00 61.00 61.92 1id3 s PRO 106 Cb -0.10 -1.81 0.00 0.00 0.02 0.00 0.00 34.50 32.60 1id3 s PRO 106 CO 0.15 -2.34 0.00 0.41 -0.33 0.00 0.00 177.00 174.89 1id3 n GLY 107 N -2.00 0.00 0.36 0.52 0.00 -1.26 0.66 105.19 103.48 1id3 n GLY 107 Ca 0.06 0.00 0.17 0.00 0.00 0.00 0.00 46.02 46.25 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 0.00 0.00 1.61 4.57 -1.99 0.79 114.58 119.56 1id3 h GLU 108 Ca 0.00 0.00 -0.03 0.00 -1.18 0.00 0.00 59.36 58.15 1id3 h GLU 108 Cb 0.00 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 28.58 1id3 h GLU 108 CO 0.00 0.00 -0.86 1.25 -1.18 0.00 0.00 179.01 178.22 1id3 h LEU 109 N 0.00 0.00 0.00 1.64 5.85 -1.85 -2.69 115.31 118.26 1id3 h LEU 109 Ca 0.08 0.00 -0.22 0.00 0.84 0.00 0.00 57.88 58.58 1id3 h LEU 109 Cb 0.92 0.00 -0.03 0.00 0.37 0.00 0.00 40.66 41.92 1id3 h LEU 109 CO -0.00 0.12 -1.09 0.00 -0.34 0.00 0.00 178.44 177.12 1id3 h ALA 110 N 1.88 0.45 -0.34 1.25 0.00 0.27 -2.59 119.26 120.18 1id3 h ALA 110 Ca -0.03 -0.97 0.00 0.00 0.00 0.00 0.00 54.91 53.91 1id3 h ALA 110 Cb 1.11 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.86 1id3 h ALA 110 CO 0.01 1.26 0.00 1.17 0.00 0.00 0.00 179.25 181.69 1id3 n LYS 111 N -3.28 0.00 -0.33 0.00 4.81 -0.82 -2.07 118.16 116.46 1id3 n LYS 111 Ca -0.03 0.44 0.19 0.00 -0.87 0.00 0.00 58.31 58.04 1id3 n LYS 111 Cb 0.94 -1.37 0.42 0.00 0.02 0.00 0.00 35.03 35.05 1id3 n LYS 111 CO 0.00 0.00 0.00 0.45 1.17 0.00 0.00 177.40 179.02 1id3 h HIS 112 N 0.00 0.87 0.00 5.64 3.86 -1.59 -1.34 115.15 122.59 1id3 h HIS 112 Ca 0.00 0.03 0.00 0.00 -1.16 0.00 0.00 60.37 59.24 1id3 h HIS 112 Cb 0.00 -0.25 0.00 0.00 1.06 0.00 0.00 27.41 28.22 1id3 h HIS 112 CO 0.17 0.10 0.00 0.00 0.86 0.00 0.00 177.93 179.06 1id3 n ALA 113 N -2.39 -0.45 -0.32 2.45 0.00 -0.97 -1.19 120.51 117.64 1id3 n ALA 113 Ca 0.25 0.00 0.29 0.00 0.00 0.00 0.00 53.44 53.99 1id3 n ALA 113 Cb 0.76 0.04 0.55 0.00 0.00 0.00 0.00 19.45 20.81 1id3 n ALA 113 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1id3 h VAL 114 N 0.00 0.09 0.00 0.00 2.07 -0.87 0.43 116.25 117.97 1id3 h VAL 114 Ca 0.00 -0.03 0.00 0.00 0.82 0.00 0.00 66.70 67.49 1id3 h VAL 114 Cb 0.00 -0.02 0.00 0.00 -1.52 0.00 0.00 31.29 29.75 1id3 h VAL 114 CO 0.00 0.02 0.00 -0.24 0.02 0.00 0.00 177.57 177.37 1id3 n SER 115 N -5.20 0.00 -0.53 0.57 2.88 -0.56 -1.07 113.62 109.71 1id3 n SER 115 Ca 0.36 0.81 0.44 0.00 -1.33 0.00 0.00 58.87 59.15 1id3 n SER 115 Cb 1.20 -0.31 0.72 0.00 -0.75 0.00 0.00 64.21 65.06 1id3 n SER 115 CO 0.00 0.00 0.00 -0.33 -1.23 0.00 0.00 175.04 173.48 1id3 h GLU 116 N 0.00 0.00 0.54 -1.46 4.39 0.11 0.43 114.58 118.60 1id3 h GLU 116 Ca 0.00 -0.00 -0.03 0.00 0.34 0.00 0.00 59.36 59.67 1id3 h GLU 116 Cb 0.00 -0.00 0.01 0.00 -0.10 0.00 0.00 28.75 28.66 1id3 h GLU 116 CO 0.00 0.00 -0.26 0.78 -1.16 0.00 0.00 179.01 178.37 1id3 h GLY 117 N 0.00 -0.76 1.96 -3.84 0.00 0.05 -2.65 103.07 97.83 1id3 h GLY 117 Ca 0.90 0.28 0.00 0.00 0.00 0.00 0.00 47.33 48.52 1id3 h GLY 117 CO -0.36 -0.28 0.01 -0.91 0.00 0.00 0.00 176.54 175.01 1id3 h THR 118 N -1.00 0.47 0.04 4.70 1.35 0.69 -2.07 112.91 117.10 1id3 h THR 118 Ca -0.07 0.00 -0.00 0.00 -0.55 0.00 0.00 66.41 65.78 1id3 h THR 118 Cb 0.56 0.99 0.00 0.00 -1.73 0.00 0.00 68.15 67.97 1id3 h THR 118 CO 0.12 0.00 -0.02 0.03 -0.25 0.00 0.00 175.52 175.40 1id3 h ARG 119 N 0.00 -0.05 -0.85 4.72 3.08 -1.21 -2.42 114.38 117.65 1id3 h ARG 119 Ca 0.01 0.00 0.35 0.00 0.07 0.00 0.00 59.98 60.41 1id3 h ARG 119 Cb 0.04 0.01 -0.15 0.00 0.08 0.00 0.00 29.97 29.95 1id3 h ARG 119 CO -0.00 -0.03 0.47 0.00 -1.07 0.00 0.00 179.97 179.34 1id3 n ALA 120 N -2.05 0.87 -0.02 0.04 0.00 -1.00 0.46 120.51 118.81 1id3 n ALA 120 Ca -0.01 0.83 -0.16 0.00 0.00 0.00 0.00 53.44 54.11 1id3 n ALA 120 Cb 0.02 -0.85 -0.10 0.00 0.00 0.00 0.00 19.45 18.53 1id3 n ALA 120 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1id3 h VAL 121 N 0.00 1.42 -0.06 0.00 2.07 -1.41 -2.42 116.25 115.84 1id3 h VAL 121 Ca 0.71 -1.88 0.01 0.00 0.82 0.00 0.00 66.70 66.36 1id3 h VAL 121 Cb 1.90 2.42 -0.01 0.00 -1.52 0.00 0.00 31.29 34.08 1id3 h VAL 121 CO -0.62 0.54 0.02 0.74 0.02 0.00 0.00 177.57 178.27 1id3 h THR 122 N -0.11 0.98 0.00 2.57 2.02 0.54 0.21 112.91 119.11 1id3 h THR 122 Ca -0.04 -0.02 0.00 0.00 0.77 0.00 0.00 66.41 67.12 1id3 h THR 122 Cb 1.12 0.93 0.00 0.00 -1.74 0.00 0.00 68.15 68.45 1id3 h THR 122 CO 0.09 0.01 0.00 1.17 0.37 0.00 0.00 175.52 177.16 1id3 n LYS 123 N -5.08 0.06 -0.05 6.66 4.81 -0.01 -0.43 118.16 124.12 1id3 n LYS 123 Ca -0.06 0.25 0.02 0.00 -0.87 0.00 0.00 58.31 57.65 1id3 n LYS 123 Cb 0.04 -1.50 -0.16 0.00 0.02 0.00 0.00 35.03 33.43 1id3 n LYS 123 CO 0.00 0.00 0.00 0.98 1.17 0.00 0.00 177.40 179.55 1id3 n TYR 124 N -1.30 0.02 1.90 5.64 9.36 0.57 -4.14 117.16 129.22 1id3 n TYR 124 Ca 0.02 0.01 0.01 0.00 3.32 0.00 0.00 57.90 61.26 1id3 n TYR 124 Cb 0.04 -0.73 0.05 0.00 -0.63 0.00 0.00 39.34 38.07 1id3 n TYR 124 CO 0.00 0.00 0.00 0.43 0.22 0.00 0.00 176.86 177.51 1id3 n SER 125 N -2.49 0.00 -2.24 2.98 7.64 0.43 -3.38 113.62 116.56 1id3 n SER 125 Ca -0.17 -1.85 -0.20 0.00 1.01 0.00 0.00 58.87 57.67 1id3 n SER 125 Cb 0.83 0.00 -0.10 0.00 -1.01 0.00 0.00 64.21 63.93 1id3 n SER 125 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 1id3 n SER 126 N -0.53 5.94 -2.05 6.43 3.41 -1.23 -4.69 113.62 120.90 1id3 n SER 126 Ca 0.01 -2.88 -0.03 0.00 -0.26 0.00 0.00 58.87 55.71 1id3 n SER 126 Cb 0.01 -1.30 -0.04 0.00 -0.26 0.00 0.00 64.21 62.62 1id3 n SER 126 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 1id3 n SER 127 N 1.53 2.31 0.00 4.04 3.41 -1.22 -4.41 113.62 119.28 1id3 n SER 127 Ca 0.44 -1.79 0.00 0.00 -0.26 0.00 0.00 58.87 57.26 1id3 n SER 127 Cb 0.70 -0.56 0.00 0.00 -0.26 0.00 0.00 64.21 64.09 1id3 n SER 127 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 1id3 n THR 128 N 2.33 0.00 0.00 6.66 -2.24 -1.26 -5.10 114.28 114.67 1id3 n THR 128 Ca 0.10 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.88 1id3 n THR 128 Cb 0.32 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.55 1id3 n THR 128 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1id3 n GLN 129 N 0.00 0.00 -0.67 -0.78 10.64 -1.26 -5.22 117.38 120.08 1id3 n GLN 129 Ca 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 57.00 55.17 1id3 n GLN 129 Cb 0.00 -0.71 0.00 0.00 -0.86 0.00 0.00 30.24 28.67 1id3 n GLN 129 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.06 175.23