#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ji5 h VAL 5 N 0.00 1.47 -0.70 5.09 2.07 -1.98 -3.09 116.25 119.11 1ji5 h VAL 5 Ca 0.00 -2.77 0.17 0.00 0.82 0.00 0.00 66.70 64.92 1ji5 h VAL 5 Cb 0.00 2.66 -0.04 0.00 -1.52 0.00 0.00 31.29 32.39 1ji5 h VAL 5 CO 0.00 0.81 0.48 0.40 0.02 0.00 0.00 177.57 179.29 1ji5 h ILE 6 N 0.13 0.73 -0.06 4.57 2.04 -1.98 0.82 117.51 123.76 1ji5 h ILE 6 Ca -0.09 -0.07 -0.21 0.00 1.00 0.00 0.00 64.86 65.49 1ji5 h ILE 6 Cb 1.73 0.52 0.00 0.00 -0.74 0.00 0.00 36.82 38.33 1ji5 h ILE 6 CO 0.17 0.04 -0.83 -0.08 0.00 0.00 0.00 178.15 177.44 1ji5 h GLU 7 N 0.19 0.52 0.19 2.37 4.57 -1.96 0.15 114.58 120.62 1ji5 h GLU 7 Ca 0.34 -0.47 -0.01 0.00 -1.18 0.00 0.00 59.36 58.04 1ji5 h GLU 7 Cb 1.06 0.11 0.00 0.00 -0.16 0.00 0.00 28.75 29.77 1ji5 h GLU 7 CO -0.06 1.11 -0.09 0.28 -1.18 0.00 0.00 179.01 179.06 1ji5 h VAL 8 N 0.33 0.85 -0.46 0.32 2.07 -0.95 -1.88 116.25 116.54 1ji5 h VAL 8 Ca -0.06 -0.21 0.03 0.00 0.82 0.00 0.00 66.70 67.28 1ji5 h VAL 8 Cb 1.45 0.98 -0.04 0.00 -1.52 0.00 0.00 31.29 32.16 1ji5 h VAL 8 CO 0.15 0.05 0.25 -0.07 0.02 0.00 0.00 177.57 177.97 1ji5 h LEU 9 N -0.36 0.37 -1.94 2.57 4.07 -1.13 -1.72 115.31 117.17 1ji5 h LEU 9 Ca -0.03 0.02 -0.02 0.00 0.08 0.00 0.00 57.88 57.93 1ji5 h LEU 9 Cb 0.28 -0.06 -0.00 0.00 1.08 0.00 0.00 40.66 41.96 1ji5 h LEU 9 CO 0.04 0.26 -0.11 0.78 -1.08 0.00 0.00 178.44 178.34 1ji5 h ASN 10 N 0.49 0.00 0.57 -0.43 2.35 -0.56 0.12 115.58 118.13 1ji5 h ASN 10 Ca 0.20 0.00 -0.21 0.00 -0.55 0.00 0.00 56.30 55.74 1ji5 h ASN 10 Cb 0.08 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.44 1ji5 h ASN 10 CO -0.12 0.11 -0.91 0.50 -1.65 0.00 0.00 177.43 175.36 1ji5 h LYS 11 N 0.00 0.22 -0.11 0.81 3.64 -0.54 -1.98 116.57 118.61 1ji5 h LYS 11 Ca -0.00 -0.25 -0.00 0.00 -1.27 0.00 0.00 60.65 59.13 1ji5 h LYS 11 Cb 0.25 0.07 -0.00 0.00 -0.41 0.00 0.00 32.23 32.14 1ji5 h LYS 11 CO 0.01 0.99 0.06 1.96 -2.27 0.00 0.00 179.45 180.20 1ji5 h GLN 12 N 0.12 0.15 -0.12 1.90 1.08 -0.22 0.25 115.11 118.26 1ji5 h GLN 12 Ca -0.05 -0.02 0.04 0.00 -1.45 0.00 0.00 58.65 57.17 1ji5 h GLN 12 Cb 1.55 -0.03 -0.05 0.00 -0.05 0.00 0.00 27.48 28.90 1ji5 h GLN 12 CO 0.14 0.17 -0.20 0.28 -0.95 0.00 0.00 178.83 178.27 1ji5 h VAL 13 N 0.08 0.50 -0.03 -0.54 2.07 -0.73 0.32 116.25 117.91 1ji5 h VAL 13 Ca 0.04 0.00 0.02 0.00 0.82 0.00 0.00 66.70 67.58 1ji5 h VAL 13 Cb 0.07 0.50 -0.02 0.00 -1.52 0.00 0.00 31.29 30.31 1ji5 h VAL 13 CO -0.01 0.00 -0.09 0.00 0.02 0.00 0.00 177.57 177.50 1ji5 h ALA 14 N 0.73 -0.07 0.08 1.67 0.00 -1.09 0.25 119.26 120.82 1ji5 h ALA 14 Ca 0.10 0.02 0.02 0.00 0.00 0.00 0.00 54.91 55.04 1ji5 h ALA 14 Cb 0.40 0.16 -0.03 0.00 0.00 0.00 0.00 17.79 18.32 1ji5 h ALA 14 CO -0.27 -0.57 -0.23 -0.44 0.00 0.00 0.00 179.25 177.73 1ji5 h ASP 15 N -0.14 -0.67 -0.81 0.00 3.32 0.08 -0.99 116.42 117.22 1ji5 h ASP 15 Ca 0.04 0.08 0.05 0.00 0.02 0.00 0.00 57.03 57.23 1ji5 h ASP 15 Cb 0.20 0.26 -0.05 0.00 0.22 0.00 0.00 39.33 39.96 1ji5 h ASP 15 CO -0.11 -0.31 0.53 -0.50 -1.72 0.00 0.00 179.24 177.12 1ji5 h TRP 16 N -0.41 0.92 -0.72 4.55 4.06 -0.18 0.68 115.95 124.86 1ji5 h TRP 16 Ca 0.04 0.02 -0.03 0.00 2.06 0.00 0.00 58.89 60.99 1ji5 h TRP 16 Cb 0.45 -0.31 -0.03 0.00 -1.00 0.00 0.00 29.16 28.27 1ji5 h TRP 16 CO -0.24 0.51 0.34 0.77 -3.56 0.00 0.00 178.44 176.26 1ji5 h SER 17 N 0.93 0.93 -0.00 -3.49 0.02 -0.27 0.13 113.55 111.80 1ji5 h SER 17 Ca 0.34 -0.11 -0.00 0.00 -0.84 0.00 0.00 61.79 61.18 1ji5 h SER 17 Cb 0.15 -0.24 -0.00 0.00 0.14 0.00 0.00 62.40 62.45 1ji5 h SER 17 CO -0.11 0.79 -0.00 0.58 -1.14 0.00 0.00 176.83 176.95 1ji5 h VAL 18 N 1.02 1.31 -0.73 2.27 2.07 0.22 -2.93 116.25 119.48 1ji5 h VAL 18 Ca 0.25 -0.92 0.15 0.00 0.82 0.00 0.00 66.70 66.99 1ji5 h VAL 18 Cb 0.12 1.94 -0.10 0.00 -1.52 0.00 0.00 31.29 31.72 1ji5 h VAL 18 CO -0.03 0.24 0.23 -0.07 0.02 0.00 0.00 177.57 177.96 1ji5 h LEU 19 N -0.39 0.13 -0.53 2.57 -0.00 -0.40 0.83 115.31 117.52 1ji5 h LEU 19 Ca 0.00 0.13 0.10 0.00 -0.00 0.00 0.00 57.88 58.11 1ji5 h LEU 19 Cb 0.39 0.15 -0.11 0.00 -0.00 0.00 0.00 40.66 41.09 1ji5 h LEU 19 CO 0.00 0.02 -0.25 0.15 -0.00 0.00 0.00 178.44 178.37 1ji5 h PHE 20 N 0.34 -0.63 -0.13 1.13 3.04 -0.59 0.49 116.94 120.59 1ji5 h PHE 20 Ca 0.41 0.06 -0.06 0.00 3.98 0.00 0.00 57.97 62.36 1ji5 h PHE 20 Cb 0.66 0.36 -0.00 0.00 2.56 0.00 0.00 35.95 39.53 1ji5 h PHE 20 CO -0.22 -0.33 -0.15 1.15 -2.02 0.00 0.00 178.31 176.74 1ji5 h THR 21 N -0.12 1.36 -0.83 4.41 2.02 -1.12 -2.64 112.91 115.99 1ji5 h THR 21 Ca 0.24 -1.34 0.08 0.00 0.77 0.00 0.00 66.41 66.16 1ji5 h THR 21 Cb 0.50 1.93 -0.06 0.00 -1.74 0.00 0.00 68.15 68.79 1ji5 h THR 21 CO -0.60 0.39 0.54 0.50 0.37 0.00 0.00 175.52 176.72 1ji5 h LYS 22 N -0.05 0.83 -0.02 6.66 3.64 -0.20 -0.11 116.57 127.32 1ji5 h LYS 22 Ca 0.02 -0.05 -0.13 0.00 -1.27 0.00 0.00 60.65 59.22 1ji5 h LYS 22 Cb 0.69 -0.19 -0.02 0.00 -0.41 0.00 0.00 32.23 32.31 1ji5 h LYS 22 CO 0.04 0.55 -0.59 -0.07 -2.27 0.00 0.00 179.45 177.11 1ji5 h LEU 23 N 0.86 0.08 -0.34 5.20 3.38 0.00 -2.02 115.31 122.47 1ji5 h LEU 23 Ca 0.37 -0.04 -0.08 0.00 0.09 0.00 0.00 57.88 58.21 1ji5 h LEU 23 Cb 0.32 -0.02 -0.01 0.00 0.09 0.00 0.00 40.66 41.04 1ji5 h LEU 23 CO -0.14 0.65 -0.12 0.45 0.09 0.00 0.00 178.44 179.37 1ji5 h HIS 24 N 0.05 0.76 0.22 1.13 3.86 -0.74 0.15 115.15 120.58 1ji5 h HIS 24 Ca -0.01 -0.18 0.01 0.00 -1.16 0.00 0.00 60.37 59.04 1ji5 h HIS 24 Cb 1.06 -0.18 -0.03 0.00 1.06 0.00 0.00 27.41 29.31 1ji5 h HIS 24 CO 0.01 0.86 -0.37 -0.97 0.86 0.00 0.00 177.93 178.31 1ji5 h ASN 25 N 0.45 -1.06 -0.55 2.45 -0.73 -0.88 0.59 115.58 115.86 1ji5 h ASN 25 Ca 0.08 0.11 -0.01 0.00 1.87 0.00 0.00 56.30 58.35 1ji5 h ASN 25 Cb 0.63 0.38 -0.03 0.00 0.27 0.00 0.00 38.32 39.58 1ji5 h ASN 25 CO 0.04 -0.48 0.31 -0.26 -0.37 0.00 0.00 177.43 176.67 1ji5 h PHE 26 N -0.67 0.78 -0.53 0.67 -1.00 -1.32 0.47 116.94 115.34 1ji5 h PHE 26 Ca 0.00 -0.01 0.02 0.00 2.81 0.00 0.00 57.97 60.79 1ji5 h PHE 26 Cb 0.65 -0.25 -0.03 0.00 3.61 0.00 0.00 35.95 39.93 1ji5 h PHE 26 CO -0.28 0.55 0.33 1.25 -1.61 0.00 0.00 178.31 178.55 1ji5 h HIS 27 N 0.80 0.62 0.16 -0.55 -0.00 0.44 -1.90 115.15 114.72 1ji5 h HIS 27 Ca 0.20 0.02 -0.31 0.00 -0.00 0.00 0.00 60.37 60.29 1ji5 h HIS 27 Cb 0.03 -0.20 0.03 0.00 -0.00 0.00 0.00 27.41 27.27 1ji5 h HIS 27 CO 0.01 0.36 -1.31 -1.49 -0.00 0.00 0.00 177.93 175.49 1ji5 h TRP 28 N 0.66 0.93 -0.01 5.26 6.55 0.16 -3.38 115.95 126.12 1ji5 h TRP 28 Ca 0.21 -0.62 0.00 0.00 0.95 0.00 0.00 58.89 59.43 1ji5 h TRP 28 Cb -0.01 -0.06 0.00 0.00 -0.86 0.00 0.00 29.16 28.23 1ji5 h TRP 28 CO -0.06 1.47 -0.45 0.66 -1.05 0.00 0.00 178.44 179.01 1ji5 n TYR 29 N -3.73 0.00 -1.72 0.49 4.01 0.15 -4.98 117.16 111.38 1ji5 n TYR 29 Ca -0.14 0.00 -0.37 0.00 -0.16 0.00 0.00 57.90 57.23 1ji5 n TYR 29 Cb 1.03 -0.10 0.07 0.00 -0.31 0.00 0.00 39.34 40.03 1ji5 n TYR 29 CO 0.00 0.00 0.00 1.55 -0.46 0.00 0.00 176.86 177.95 1ji5 n VAL 30 N -0.74 4.86 -3.88 -0.72 3.14 -0.72 -5.01 118.33 115.26 1ji5 n VAL 30 Ca 0.09 -0.50 -0.10 0.00 -2.96 0.00 0.00 64.34 60.88 1ji5 n VAL 30 Cb 0.38 -1.47 -0.06 0.00 -1.06 0.00 0.00 33.84 31.63 1ji5 n VAL 30 CO 0.00 0.00 0.00 -0.54 -6.46 0.00 0.00 176.83 169.83 1ji5 s LYS 31 N -3.32 1.21 0.00 1.45 1.02 -1.26 -4.96 119.74 113.88 1ji5 s LYS 31 Ca 0.82 -1.06 0.00 0.00 0.02 0.00 0.00 55.97 55.75 1ji5 s LYS 31 Cb -0.38 0.42 0.00 0.00 -0.52 0.00 0.00 37.83 37.35 1ji5 s LYS 31 CO 0.41 -0.47 0.00 0.41 -0.92 0.00 0.00 175.35 174.78 1ji5 n GLY 32 N -0.25 -0.83 0.00 -3.33 0.00 -1.26 -4.52 105.19 95.00 1ji5 n GLY 32 Ca -0.09 -2.24 0.10 0.00 0.00 0.00 0.00 46.02 43.80 1ji5 n GLY 32 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1ji5 n PRO 33 N -0.36 0.43 -0.17 1.61 -0.04 -1.26 -1.79 135.00 133.42 1ji5 n PRO 33 Ca 0.00 0.06 0.07 0.00 -0.04 0.00 0.00 63.50 63.59 1ji5 n PRO 33 Cb 0.00 -1.50 0.17 0.00 -0.04 0.00 0.00 33.50 32.13 1ji5 n PRO 33 CO 0.00 0.00 0.00 1.04 -0.04 0.00 0.00 175.50 176.50 1ji5 n GLN 34 N -1.16 2.40 0.00 0.54 1.13 -1.26 -4.76 117.38 114.27 1ji5 n GLN 34 Ca 0.12 -2.01 0.00 0.00 -1.94 0.00 0.00 57.00 53.16 1ji5 n GLN 34 Cb 0.12 -1.33 0.00 0.00 0.11 0.00 0.00 30.24 29.14 1ji5 n GLN 34 CO 0.00 0.00 0.00 0.34 -1.44 0.00 0.00 177.06 175.96 1ji5 n PHE 35 N 0.82 0.00 -0.20 1.08 7.35 -0.74 0.11 117.46 125.87 1ji5 n PHE 35 Ca 0.13 0.00 -0.02 0.00 -0.76 0.00 0.00 57.45 56.80 1ji5 n PHE 35 Cb 0.45 -0.37 0.04 0.00 0.35 0.00 0.00 39.48 39.96 1ji5 n PHE 35 CO 0.00 0.00 0.00 0.74 -0.76 0.00 0.00 176.76 176.74 1ji5 h PHE 36 N 0.00 -0.52 -0.57 -5.13 0.04 -1.86 1.54 116.94 110.44 1ji5 h PHE 36 Ca 0.00 0.06 -0.10 0.00 2.80 0.00 0.00 57.97 60.73 1ji5 h PHE 36 Cb 0.00 0.32 -0.02 0.00 2.20 0.00 0.00 35.95 38.45 1ji5 h PHE 36 CO -0.46 -0.31 -0.05 1.79 -0.60 0.00 0.00 178.31 178.67 1ji5 h THR 37 N -0.06 1.27 0.05 -1.55 1.35 -1.85 -2.26 112.91 109.85 1ji5 h THR 37 Ca 0.28 -1.20 -0.23 0.00 -0.55 0.00 0.00 66.41 64.70 1ji5 h THR 37 Cb 0.50 0.88 -0.01 0.00 -1.73 0.00 0.00 68.15 67.79 1ji5 h THR 37 CO -0.65 0.43 -1.04 -0.07 -0.25 0.00 0.00 175.52 173.94 1ji5 h LEU 38 N 0.93 0.33 -0.77 3.87 -0.00 0.89 -1.67 115.31 118.89 1ji5 h LEU 38 Ca 0.16 -0.31 0.06 0.00 -0.00 0.00 0.00 57.88 57.79 1ji5 h LEU 38 Cb 0.61 -0.11 -0.06 0.00 -0.00 0.00 0.00 40.66 41.11 1ji5 h LEU 38 CO 0.04 1.18 0.46 -0.74 -0.00 0.00 0.00 178.44 179.37 1ji5 h HIS 39 N 0.10 0.85 0.45 1.13 2.76 0.22 -1.79 115.15 118.86 1ji5 h HIS 39 Ca -0.08 0.03 -0.02 0.00 -2.20 0.00 0.00 60.37 58.10 1ji5 h HIS 39 Cb 1.73 -0.27 0.00 0.00 1.55 0.00 0.00 27.41 30.42 1ji5 h HIS 39 CO 0.04 0.41 -0.22 1.49 -1.30 0.00 0.00 177.93 178.36 1ji5 h GLU 40 N 0.84 -0.58 -0.65 5.26 4.81 -1.35 -3.17 114.58 119.73 1ji5 h GLU 40 Ca 0.34 0.04 0.14 0.00 -0.13 0.00 0.00 59.36 59.75 1ji5 h GLU 40 Cb 0.19 0.13 -0.11 0.00 0.63 0.00 0.00 28.75 29.59 1ji5 h GLU 40 CO -0.18 -0.28 -0.00 -0.22 -0.73 0.00 0.00 179.01 177.60 1ji5 h LYS 41 N -1.00 0.11 -0.90 1.92 1.63 -1.08 -0.43 116.57 116.81 1ji5 h LYS 41 Ca -0.06 -0.01 0.03 0.00 -0.85 0.00 0.00 60.65 59.77 1ji5 h LYS 41 Cb 0.57 -0.02 -0.05 0.00 -0.60 0.00 0.00 32.23 32.12 1ji5 h LYS 41 CO 0.10 0.07 0.59 0.74 -3.45 0.00 0.00 179.45 177.51 1ji5 h PHE 42 N 0.11 1.09 -0.51 1.91 0.04 -1.41 -0.18 116.94 118.00 1ji5 h PHE 42 Ca 0.34 0.03 -0.04 0.00 2.80 0.00 0.00 57.97 61.10 1ji5 h PHE 42 Cb 0.57 -0.37 -0.02 0.00 2.20 0.00 0.00 35.95 38.33 1ji5 h PHE 42 CO -0.38 0.64 0.13 1.49 -0.60 0.00 0.00 178.31 179.58 1ji5 h GLU 43 N 1.13 0.76 -0.45 1.51 4.81 -1.07 0.12 114.58 121.40 1ji5 h GLU 43 Ca 0.36 -0.14 -0.02 0.00 -0.13 0.00 0.00 59.36 59.43 1ji5 h GLU 43 Cb 0.02 -0.12 -0.02 0.00 0.63 0.00 0.00 28.75 29.26 1ji5 h GLU 43 CO -0.11 0.68 0.20 1.49 -0.73 0.00 0.00 179.01 180.55 1ji5 h GLU 44 N 0.74 0.65 -0.38 1.92 4.81 -0.57 -1.24 114.58 120.51 1ji5 h GLU 44 Ca 0.17 -0.10 -0.07 0.00 -0.13 0.00 0.00 59.36 59.22 1ji5 h GLU 44 Cb 0.26 -0.11 -0.01 0.00 0.63 0.00 0.00 28.75 29.51 1ji5 h GLU 44 CO -0.00 0.57 -0.04 -0.07 -0.73 0.00 0.00 179.01 178.74 1ji5 h LEU 45 N 0.58 0.69 -0.86 1.64 4.07 -0.27 -2.00 115.31 119.16 1ji5 h LEU 45 Ca 0.15 -0.33 -0.01 0.00 0.08 0.00 0.00 57.88 57.77 1ji5 h LEU 45 Cb 0.14 -0.19 -0.00 0.00 1.08 0.00 0.00 40.66 41.69 1ji5 h LEU 45 CO -0.02 0.86 -0.05 0.10 -1.08 0.00 0.00 178.44 178.25 1ji5 h TYR 46 N 0.51 0.00 -0.15 1.13 -0.00 -0.71 0.47 116.97 118.22 1ji5 h TYR 46 Ca 0.10 0.00 -0.06 0.00 0.00 0.00 0.00 58.73 58.77 1ji5 h TYR 46 Cb 0.53 0.00 -0.00 0.00 0.00 0.00 0.00 36.73 37.25 1ji5 h TYR 46 CO 0.04 0.05 -0.13 1.15 -0.00 0.00 0.00 178.16 179.27 1ji5 h THR 47 N 0.00 1.34 -0.59 -0.90 2.02 -1.04 -1.40 112.91 112.34 1ji5 h THR 47 Ca -0.00 -1.27 0.00 0.00 0.77 0.00 0.00 66.41 65.92 1ji5 h THR 47 Cb 0.74 1.83 -0.03 0.00 -1.74 0.00 0.00 68.15 68.96 1ji5 h THR 47 CO 0.01 0.37 0.39 -0.33 0.37 0.00 0.00 175.52 176.32 1ji5 h GLU 48 N 0.00 0.78 -0.38 6.66 5.08 -0.97 -2.21 114.58 123.53 1ji5 h GLU 48 Ca 0.03 -0.05 0.05 0.00 -1.00 0.00 0.00 59.36 58.39 1ji5 h GLU 48 Cb 0.65 -0.17 -0.05 0.00 0.50 0.00 0.00 28.75 29.68 1ji5 h GLU 48 CO 0.03 0.53 0.09 0.66 -1.00 0.00 0.00 179.01 179.32 1ji5 h SER 49 N 0.80 0.05 -0.78 1.42 4.64 -0.76 -0.08 113.55 118.84 1ji5 h SER 49 Ca 0.22 0.06 0.09 0.00 -0.47 0.00 0.00 61.79 61.68 1ji5 h SER 49 Cb -0.08 0.07 -0.05 0.00 -0.31 0.00 0.00 62.40 62.03 1ji5 h SER 49 CO -0.05 0.06 0.51 0.00 -0.87 0.00 0.00 176.83 176.49 1ji5 h ALA 50 N 1.28 1.75 0.03 5.18 0.00 -0.80 -0.96 119.26 125.73 1ji5 h ALA 50 Ca 0.18 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 55.08 1ji5 h ALA 50 Cb 0.20 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 17.82 1ji5 h ALA 50 CO -0.22 0.09 -0.01 1.15 0.00 0.00 0.00 179.25 180.25 1ji5 h THR 51 N 0.73 1.02 -0.38 0.00 2.02 -0.45 -2.86 112.91 112.99 1ji5 h THR 51 Ca 0.36 -0.15 0.05 0.00 0.77 0.00 0.00 66.41 67.44 1ji5 h THR 51 Cb 0.41 1.11 -0.05 0.00 -1.74 0.00 0.00 68.15 67.89 1ji5 h THR 51 CO -0.13 0.04 0.11 0.45 0.37 0.00 0.00 175.52 176.36 1ji5 h HIS 52 N -0.10 0.20 -0.83 3.16 3.86 -0.41 -1.52 115.15 119.49 1ji5 h HIS 52 Ca -0.00 0.02 0.19 0.00 -1.16 0.00 0.00 60.37 59.42 1ji5 h HIS 52 Cb 0.09 -0.03 -0.12 0.00 1.06 0.00 0.00 27.41 28.41 1ji5 h HIS 52 CO -0.06 0.06 0.30 0.82 0.86 0.00 0.00 177.93 179.92 1ji5 h ILE 53 N 0.26 0.50 0.15 2.45 2.04 -1.05 -0.48 117.51 121.38 1ji5 h ILE 53 Ca 0.18 -0.12 -0.29 0.00 1.00 0.00 0.00 64.86 65.62 1ji5 h ILE 53 Cb 0.18 0.11 0.03 0.00 -0.74 0.00 0.00 36.82 36.40 1ji5 h ILE 53 CO -0.20 0.07 -1.24 -0.78 0.00 0.00 0.00 178.15 175.99 1ji5 h ASP 54 N 0.36 0.83 0.34 1.72 3.58 -1.20 -2.77 116.42 119.28 1ji5 h ASP 54 Ca 0.50 -0.85 -0.02 0.00 0.42 0.00 0.00 57.03 57.08 1ji5 h ASP 54 Cb 0.90 -0.26 0.00 0.00 1.72 0.00 0.00 39.33 41.68 1ji5 h ASP 54 CO -0.52 1.61 -0.16 -0.33 -2.88 0.00 0.00 179.24 176.96 1ji5 h GLU 55 N 0.17 -0.44 0.07 0.28 5.08 -0.80 -0.47 114.58 118.46 1ji5 h GLU 55 Ca -0.20 0.03 0.02 0.00 -1.00 0.00 0.00 59.36 58.21 1ji5 h GLU 55 Cb 1.93 0.10 -0.03 0.00 0.50 0.00 0.00 28.75 31.25 1ji5 h GLU 55 CO 0.24 -0.24 -0.22 0.82 -1.00 0.00 0.00 179.01 178.61 1ji5 h ILE 56 N -0.55 0.50 -0.35 3.13 2.04 -1.24 0.49 117.51 121.53 1ji5 h ILE 56 Ca -0.05 0.00 0.08 0.00 1.00 0.00 0.00 64.86 65.89 1ji5 h ILE 56 Cb 0.41 0.50 -0.08 0.00 -0.74 0.00 0.00 36.82 36.92 1ji5 h ILE 56 CO 0.08 0.00 -0.16 0.00 0.00 0.00 0.00 178.15 178.07 1ji5 h ALA 57 N 0.44 0.11 0.00 1.87 0.00 -1.46 0.40 119.26 120.62 1ji5 h ALA 57 Ca 0.04 0.13 0.00 0.00 0.00 0.00 0.00 54.91 55.08 1ji5 h ALA 57 Cb 0.43 0.39 0.00 0.00 0.00 0.00 0.00 17.79 18.61 1ji5 h ALA 57 CO -0.15 -0.54 0.00 0.93 0.00 0.00 0.00 179.25 179.49 1ji5 h GLU 58 N -0.10 0.00 0.05 0.00 5.08 -0.59 0.19 114.58 119.20 1ji5 h GLU 58 Ca 0.18 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.53 1ji5 h GLU 58 Cb 0.37 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.62 1ji5 h GLU 58 CO -0.42 0.00 -0.02 -0.09 -1.00 0.00 0.00 179.01 177.48 1ji5 h ARG 59 N 0.00 -0.06 -0.10 2.33 9.65 0.42 -1.26 114.38 125.35 1ji5 h ARG 59 Ca 0.00 0.00 -0.04 0.00 -1.10 0.00 0.00 59.98 58.85 1ji5 h ARG 59 Cb 0.33 0.01 -0.01 0.00 -1.39 0.00 0.00 29.97 28.91 1ji5 h ARG 59 CO 0.00 0.57 -0.10 -0.84 2.80 0.00 0.00 179.97 182.40 1ji5 h ILE 60 N -0.89 1.13 -0.02 1.20 3.07 -0.80 0.27 117.51 121.47 1ji5 h ILE 60 Ca -0.01 -0.59 -0.06 0.00 1.55 0.00 0.00 64.86 65.76 1ji5 h ILE 60 Cb 0.66 1.17 -0.01 0.00 -0.27 0.00 0.00 36.82 38.37 1ji5 h ILE 60 CO 0.01 0.18 -0.27 0.25 -1.05 0.00 0.00 178.15 177.27 1ji5 h LEU 61 N 0.15 0.03 0.00 0.16 5.85 -0.61 0.42 115.31 121.31 1ji5 h LEU 61 Ca 0.03 -0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.74 1ji5 h LEU 61 Cb 0.28 -0.01 0.00 0.00 0.37 0.00 0.00 40.66 41.30 1ji5 h LEU 61 CO 0.02 0.31 -0.15 0.00 -0.34 0.00 0.00 178.44 178.27 1ji5 h ALA 62 N 1.70 0.91 -0.58 1.25 0.00 0.73 -3.24 119.26 120.04 1ji5 h ALA 62 Ca 0.00 0.00 -0.25 0.00 0.00 0.00 0.00 54.91 54.66 1ji5 h ALA 62 Cb 0.50 0.00 -0.15 0.00 0.00 0.00 0.00 17.79 18.14 1ji5 h ALA 62 CO 0.04 0.00 0.19 0.44 0.00 0.00 0.00 179.25 179.91 1ji5 n ILE 63 N -2.59 2.76 -0.99 0.00 -5.35 -0.56 -4.93 119.36 107.70 1ji5 n ILE 63 Ca 0.04 -2.24 0.00 0.00 -0.27 0.00 0.00 62.75 60.28 1ji5 n ILE 63 Cb 0.48 -0.36 0.00 0.00 -1.74 0.00 0.00 39.64 38.02 1ji5 n ILE 63 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1ji5 n GLY 64 N -0.90 0.37 3.96 3.28 0.00 -1.10 -5.02 105.19 105.79 1ji5 n GLY 64 Ca 0.40 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 46.18 1ji5 n GLY 64 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1ji5 s GLY 65 N -2.00 1.76 -0.28 -0.02 0.00 0.14 -5.00 107.32 101.92 1ji5 s GLY 65 Ca 0.00 -1.38 0.02 0.00 0.00 0.00 0.00 44.72 43.37 1ji5 s GLY 65 CO 0.00 -0.88 -0.04 0.54 0.00 0.00 0.00 173.10 172.73 1ji5 s LYS 66 N -5.20 1.76 0.23 2.90 3.01 -1.26 -4.25 119.74 116.93 1ji5 s LYS 66 Ca 0.64 -1.37 -0.30 0.00 -1.01 0.00 0.00 55.97 53.93 1ji5 s LYS 66 Cb -0.07 -2.83 -0.10 0.00 -1.01 0.00 0.00 37.83 33.82 1ji5 s LYS 66 CO 0.44 -0.70 1.47 -1.25 0.51 0.00 0.00 175.35 175.82 1ji5 s PRO 67 N 1.17 4.25 0.32 -1.68 0.04 -1.26 -4.96 135.00 132.87 1ji5 s PRO 67 Ca -0.02 2.32 -0.29 0.00 0.04 0.00 0.00 61.00 63.05 1ji5 s PRO 67 Cb -0.19 -3.12 -0.11 0.00 0.04 0.00 0.00 34.50 31.12 1ji5 s PRO 67 CO -0.07 -0.46 1.53 0.14 0.04 0.00 0.00 177.00 178.17 1ji5 s VAL 68 N 0.22 2.14 -0.34 -0.36 -7.23 -1.26 -4.94 120.40 108.64 1ji5 s VAL 68 Ca 0.61 0.13 0.16 0.00 -1.81 0.00 0.00 61.98 61.07 1ji5 s VAL 68 Cb -0.42 -3.08 0.44 0.00 0.56 0.00 0.00 36.38 33.88 1ji5 s VAL 68 CO 0.41 0.02 1.05 0.00 -0.31 0.00 0.00 175.10 176.28 1ji5 n ALA 69 N 1.53 2.90 -3.19 1.32 0.00 -1.26 -4.96 120.51 116.85 1ji5 n ALA 69 Ca 0.05 -2.69 -0.13 0.00 0.00 0.00 0.00 53.44 50.68 1ji5 n ALA 69 Cb 0.38 -0.95 -0.11 0.00 0.00 0.00 0.00 19.45 18.78 1ji5 n ALA 69 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 1ji5 s THR 70 N -2.36 0.02 0.42 0.00 -4.23 -1.26 -5.02 115.64 103.21 1ji5 s THR 70 Ca 0.26 -0.12 0.10 0.00 -1.18 0.00 0.00 61.69 60.75 1ji5 s THR 70 Cb 0.44 -0.46 0.21 0.00 1.34 0.00 0.00 72.50 74.03 1ji5 s THR 70 CO 0.01 -0.07 2.00 0.24 -0.54 0.00 0.00 174.62 176.26 1ji5 h MET 71 N 5.27 0.25 0.01 3.99 2.86 -1.99 -1.93 114.93 123.39 1ji5 h MET 71 Ca -0.27 -0.04 0.03 0.00 -2.06 0.00 0.00 59.70 57.36 1ji5 h MET 71 Cb 1.19 -0.04 -0.05 0.00 0.06 0.00 0.00 31.60 32.76 1ji5 h MET 71 CO 0.34 0.29 -0.30 -0.22 1.06 0.00 0.00 176.91 178.08 1ji5 h LYS 72 N 0.24 -0.44 -0.31 1.72 3.64 -2.00 -0.11 116.57 119.32 1ji5 h LYS 72 Ca 0.06 0.03 -0.02 0.00 -1.27 0.00 0.00 60.65 59.45 1ji5 h LYS 72 Cb 0.20 0.10 -0.01 0.00 -0.41 0.00 0.00 32.23 32.11 1ji5 h LYS 72 CO 0.01 -0.29 0.13 0.93 -2.27 0.00 0.00 179.45 177.96 1ji5 h GLU 73 N -0.45 0.46 -0.65 1.90 5.08 -1.88 -2.66 114.58 116.38 1ji5 h GLU 73 Ca 0.06 -0.08 0.13 0.00 -1.00 0.00 0.00 59.36 58.47 1ji5 h GLU 73 Cb 0.53 -0.08 -0.12 0.00 0.50 0.00 0.00 28.75 29.58 1ji5 h GLU 73 CO -0.25 0.45 -0.18 1.88 -1.00 0.00 0.00 179.01 179.92 1ji5 h TYR 74 N 0.36 -0.38 -0.81 4.33 0.99 -0.84 -0.13 116.97 120.48 1ji5 h TYR 74 Ca 0.10 0.06 0.00 0.00 2.00 0.00 0.00 58.73 60.90 1ji5 h TYR 74 Cb 0.16 0.27 -0.04 0.00 1.00 0.00 0.00 36.73 38.12 1ji5 h TYR 74 CO -0.01 -0.29 0.52 -0.07 -0.00 0.00 0.00 178.16 178.31 1ji5 h LEU 75 N -0.01 0.94 0.00 3.88 4.07 -0.82 0.40 115.31 123.77 1ji5 h LEU 75 Ca 0.31 -0.04 0.00 0.00 0.08 0.00 0.00 57.88 58.23 1ji5 h LEU 75 Cb 0.49 -0.24 0.00 0.00 1.08 0.00 0.00 40.66 41.99 1ji5 h LEU 75 CO -0.68 0.70 0.00 -1.84 -1.08 0.00 0.00 178.44 175.54 1ji5 n GLU 76 N -4.50 0.60 0.00 1.13 0.28 -0.17 -4.11 120.64 113.87 1ji5 n GLU 76 Ca 0.08 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 57.08 1ji5 n GLU 76 Cb 0.03 -1.50 0.00 0.00 1.43 0.00 0.00 31.44 31.40 1ji5 n GLU 76 CO 0.00 0.00 0.00 1.51 -0.16 0.00 0.00 177.13 178.48 1ji5 n ILE 77 N -1.20 0.00 -1.80 3.84 3.06 -0.55 -5.06 119.36 117.66 1ji5 n ILE 77 Ca 0.17 0.00 -0.38 0.00 -2.50 0.00 0.00 62.75 60.04 1ji5 n ILE 77 Cb 0.20 -0.85 0.04 0.00 0.54 0.00 0.00 39.64 39.57 1ji5 n ILE 77 CO 0.00 0.00 0.00 -0.55 -2.50 0.00 0.00 176.55 173.50 1ji5 s SER 78 N -2.93 5.21 0.00 9.51 0.15 0.13 -4.92 113.70 120.85 1ji5 s SER 78 Ca 0.00 2.72 0.17 0.00 0.70 0.00 0.00 55.95 59.54 1ji5 s SER 78 Cb 0.00 -2.63 0.25 0.00 -1.71 0.00 0.00 66.02 61.93 1ji5 s SER 78 CO 0.00 -1.61 1.16 -1.54 1.20 0.00 0.00 173.24 172.45 1ji5 n SER 79 N -1.14 2.76 -4.72 5.45 3.41 -1.26 -4.95 113.62 113.17 1ji5 n SER 79 Ca 0.11 -1.81 -0.41 0.00 -0.26 0.00 0.00 58.87 56.51 1ji5 n SER 79 Cb 0.46 -0.12 -0.04 0.00 -0.26 0.00 0.00 64.21 64.24 1ji5 n SER 79 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 1ji5 s ILE 80 N -1.27 4.93 -0.34 -1.33 -1.09 -1.26 -5.02 121.20 115.83 1ji5 s ILE 80 Ca 0.25 1.75 -0.23 0.00 -2.23 0.00 0.00 60.65 60.20 1ji5 s ILE 80 Cb 0.16 -4.18 0.00 0.00 -1.58 0.00 0.00 42.46 36.86 1ji5 s ILE 80 CO 0.22 0.22 0.75 -1.10 -1.23 0.00 0.00 174.94 173.80 1ji5 s GLN 81 N 0.80 3.84 1.09 2.79 -1.52 -1.26 -5.03 119.66 120.36 1ji5 s GLN 81 Ca 0.44 0.38 -0.19 0.00 -1.95 0.00 0.00 55.36 54.04 1ji5 s GLN 81 Cb -0.20 -3.77 0.06 0.00 -0.22 0.00 0.00 33.01 28.88 1ji5 s GLN 81 CO 0.23 -0.74 -0.18 0.39 -0.25 0.00 0.00 175.29 174.73 1ji5 n GLU 82 N 6.24 -1.25 -0.64 2.91 1.02 -1.26 -4.92 120.64 122.73 1ji5 n GLU 82 Ca 0.02 -0.35 -0.30 0.00 -0.02 0.00 0.00 57.16 56.51 1ji5 n GLU 82 Cb 0.48 -1.61 0.20 0.00 -0.02 0.00 0.00 31.44 30.49 1ji5 n GLU 82 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1ji5 s ALA 83 N -2.21 0.79 0.00 0.62 0.00 -1.26 -4.96 121.76 114.73 1ji5 s ALA 83 Ca 0.53 0.36 0.00 0.00 0.00 0.00 0.00 51.96 52.85 1ji5 s ALA 83 Cb -0.10 -3.39 0.00 0.00 0.00 0.00 0.00 23.12 19.64 1ji5 s ALA 83 CO 0.67 -3.15 0.29 0.00 0.00 0.00 0.00 175.76 173.57 1ji5 n ALA 84 N -4.48 1.67 -0.90 0.00 0.00 -1.26 -5.13 120.51 110.41 1ji5 n ALA 84 Ca 0.09 -0.29 0.11 0.00 0.00 0.00 0.00 53.44 53.35 1ji5 n ALA 84 Cb 0.53 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 19.93 1ji5 n ALA 84 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 1ji5 n TYR 85 N -0.11 -2.37 0.00 0.00 4.02 -1.26 -4.83 117.16 112.61 1ji5 n TYR 85 Ca 0.00 1.26 0.00 0.00 -0.01 0.00 0.00 57.90 59.15 1ji5 n TYR 85 Cb 0.06 -2.16 0.00 0.00 -0.02 0.00 0.00 39.34 37.23 1ji5 n TYR 85 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1ji5 n GLY 86 N -3.59 2.37 3.52 2.72 0.00 -1.26 -4.97 105.19 103.98 1ji5 n GLY 86 Ca -0.03 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.64 1ji5 n GLY 86 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1ji5 n GLU 87 N -1.96 0.06 -2.90 1.61 4.71 -1.26 -5.01 120.64 115.88 1ji5 n GLU 87 Ca 0.00 0.08 -0.22 0.00 -0.01 0.00 0.00 57.16 57.00 1ji5 n GLU 87 Cb 0.00 -2.03 0.02 0.00 -1.01 0.00 0.00 31.44 28.42 1ji5 n GLU 87 CO 0.00 0.00 0.00 0.99 0.09 0.00 0.00 177.13 178.21 1ji5 s THR 88 N -2.15 3.70 0.09 2.62 2.01 -1.26 -4.89 115.64 115.76 1ji5 s THR 88 Ca 0.65 -0.53 -0.22 0.00 0.31 0.00 0.00 61.69 61.90 1ji5 s THR 88 Cb -0.28 -3.37 -0.12 0.00 0.01 0.00 0.00 72.50 68.73 1ji5 s THR 88 CO 0.59 -0.26 1.71 0.00 -0.69 0.00 0.00 174.62 175.97 1ji5 h ALA 89 N 0.32 0.10 -0.62 7.40 0.00 -1.95 0.40 119.26 124.92 1ji5 h ALA 89 Ca -0.45 -0.03 -0.09 0.00 0.00 0.00 0.00 54.91 54.33 1ji5 h ALA 89 Cb 1.26 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 19.00 1ji5 h ALA 89 CO 0.56 -0.38 0.01 0.93 0.00 0.00 0.00 179.25 180.37 1ji5 h GLU 90 N 0.06 1.07 -0.46 0.00 4.39 -1.95 -2.24 114.58 115.46 1ji5 h GLU 90 Ca 0.03 -0.33 0.07 0.00 0.34 0.00 0.00 59.36 59.46 1ji5 h GLU 90 Cb 0.04 -0.10 -0.06 0.00 -0.10 0.00 0.00 28.75 28.53 1ji5 h GLU 90 CO -0.01 1.04 0.13 0.78 -1.16 0.00 0.00 179.01 179.80 1ji5 h GLY 91 N 1.00 0.59 0.98 -3.84 0.00 -1.72 0.27 103.07 100.35 1ji5 h GLY 91 Ca 0.18 -0.06 -0.00 0.00 0.00 0.00 0.00 47.33 47.45 1ji5 h GLY 91 CO 0.03 -0.02 0.14 -0.33 0.00 0.00 0.00 176.54 176.36 1ji5 h MET 92 N 0.29 0.31 -0.54 4.80 2.86 0.08 0.70 114.93 123.42 1ji5 h MET 92 Ca 0.22 -0.02 -0.00 0.00 -2.06 0.00 0.00 59.70 57.84 1ji5 h MET 92 Cb 0.26 -0.07 -0.03 0.00 0.06 0.00 0.00 31.60 31.83 1ji5 h MET 92 CO -0.26 0.23 0.34 0.28 1.06 0.00 0.00 176.91 178.57 1ji5 h VAL 93 N 0.29 1.16 -0.66 -2.22 2.07 -0.88 -1.22 116.25 114.78 1ji5 h VAL 93 Ca 0.08 -0.33 -0.02 0.00 0.82 0.00 0.00 66.70 67.26 1ji5 h VAL 93 Cb 0.00 0.40 -0.03 0.00 -1.52 0.00 0.00 31.29 30.14 1ji5 h VAL 93 CO -0.02 0.16 0.35 -0.08 0.02 0.00 0.00 177.57 178.00 1ji5 h GLU 94 N 0.73 0.93 0.54 1.57 4.81 -0.15 -1.83 114.58 121.19 1ji5 h GLU 94 Ca 0.20 -0.12 -0.02 0.00 -0.13 0.00 0.00 59.36 59.29 1ji5 h GLU 94 Cb -0.04 -0.18 -0.00 0.00 0.63 0.00 0.00 28.75 29.16 1ji5 h GLU 94 CO -0.04 0.71 -0.32 0.00 -0.73 0.00 0.00 179.01 178.63 1ji5 h ALA 95 N 1.17 -0.82 0.00 2.92 0.00 0.14 -2.13 119.26 120.54 1ji5 h ALA 95 Ca 0.23 -0.16 -0.07 0.00 0.00 0.00 0.00 54.91 54.90 1ji5 h ALA 95 Cb 0.06 0.38 -0.01 0.00 0.00 0.00 0.00 17.79 18.22 1ji5 h ALA 95 CO -0.04 -0.97 -0.34 -0.84 0.00 0.00 0.00 179.25 177.06 1ji5 h ILE 96 N -0.81 0.73 -0.47 0.00 -2.65 -1.31 -2.19 117.51 110.81 1ji5 h ILE 96 Ca -0.07 -1.54 -0.00 0.00 1.03 0.00 0.00 64.86 64.28 1ji5 h ILE 96 Cb 0.65 2.00 -0.02 0.00 -2.05 0.00 0.00 36.82 37.40 1ji5 h ILE 96 CO 0.08 0.34 0.28 -0.03 0.03 0.00 0.00 178.15 178.84 1ji5 h MET 97 N 0.00 0.64 -0.67 0.16 4.05 -1.20 0.17 114.93 118.08 1ji5 h MET 97 Ca -0.00 -0.06 -0.07 0.00 -0.28 0.00 0.00 59.70 59.29 1ji5 h MET 97 Cb 0.97 -0.13 -0.03 0.00 -0.80 0.00 0.00 31.60 31.61 1ji5 h MET 97 CO 0.04 0.47 0.16 0.87 0.23 0.00 0.00 176.91 178.69 1ji5 h LYS 98 N 0.62 1.08 -0.67 0.39 1.57 -1.18 -1.98 116.57 116.41 1ji5 h LYS 98 Ca 0.17 -0.26 0.04 0.00 -1.87 0.00 0.00 60.65 58.73 1ji5 h LYS 98 Cb -0.00 -0.14 -0.05 0.00 0.08 0.00 0.00 32.23 32.12 1ji5 h LYS 98 CO -0.03 0.96 0.40 -0.44 -0.57 0.00 0.00 179.45 179.77 1ji5 h ASP 99 N 1.01 0.63 -0.33 0.86 3.45 -0.72 0.11 116.42 121.43 1ji5 h ASP 99 Ca 0.21 0.01 -0.02 0.00 0.43 0.00 0.00 57.03 57.67 1ji5 h ASP 99 Cb 0.37 -0.12 -0.01 0.00 -0.56 0.00 0.00 39.33 39.00 1ji5 h ASP 99 CO 0.00 0.43 0.14 1.88 -1.57 0.00 0.00 179.24 180.12 1ji5 h TYR 100 N 0.77 0.49 -0.69 4.55 0.99 -0.34 -1.99 116.97 120.74 1ji5 h TYR 100 Ca 0.28 -0.03 -0.03 0.00 2.00 0.00 0.00 58.73 60.95 1ji5 h TYR 100 Cb 0.08 -0.15 -0.03 0.00 1.00 0.00 0.00 36.73 37.64 1ji5 h TYR 100 CO -0.06 0.45 0.33 0.93 -0.00 0.00 0.00 178.16 179.81 1ji5 h GLU 101 N 0.38 0.99 0.00 4.88 5.08 -0.83 -0.35 114.58 124.73 1ji5 h GLU 101 Ca 0.11 -0.15 0.00 0.00 -1.00 0.00 0.00 59.36 58.32 1ji5 h GLU 101 Cb 0.17 -0.18 0.00 0.00 0.50 0.00 0.00 28.75 29.24 1ji5 h GLU 101 CO -0.01 0.79 0.00 0.52 -1.00 0.00 0.00 179.01 179.31 1ji5 h MET 102 N 0.96 0.00 0.00 2.33 2.86 -0.62 -1.74 114.93 118.72 1ji5 h MET 102 Ca 0.24 0.00 -0.18 0.00 -2.06 0.00 0.00 59.70 57.69 1ji5 h MET 102 Cb 0.13 0.00 -0.03 0.00 0.06 0.00 0.00 31.60 31.75 1ji5 h MET 102 CO -0.03 0.00 -1.29 1.98 1.06 0.00 0.00 176.91 178.63 1ji5 h MET 103 N 0.00 0.00 -0.65 1.72 4.05 -0.38 -3.27 114.93 116.39 1ji5 h MET 103 Ca 0.00 0.00 0.01 0.00 -0.28 0.00 0.00 59.70 59.43 1ji5 h MET 103 Cb 0.31 0.00 -0.04 0.00 -0.80 0.00 0.00 31.60 31.07 1ji5 h MET 103 CO 0.00 0.40 0.42 -0.07 0.23 0.00 0.00 176.91 177.90 1ji5 h LEU 104 N 0.00 0.72 -0.06 3.39 3.38 -0.18 -0.84 115.31 121.71 1ji5 h LEU 104 Ca -0.15 -0.01 -0.00 0.00 0.09 0.00 0.00 57.88 57.81 1ji5 h LEU 104 Cb 1.64 -0.17 -0.00 0.00 0.09 0.00 0.00 40.66 42.21 1ji5 h LEU 104 CO 0.06 0.51 0.03 -0.37 0.09 0.00 0.00 178.44 178.77 1ji5 h VAL 105 N 0.85 1.05 -0.06 1.22 -1.51 -1.64 -0.76 116.25 115.39 1ji5 h VAL 105 Ca 0.25 -0.14 0.02 0.00 -1.23 0.00 0.00 66.70 65.59 1ji5 h VAL 105 Cb -0.06 1.05 -0.00 0.00 -2.13 0.00 0.00 31.29 30.15 1ji5 h VAL 105 CO -0.07 0.04 0.05 -0.33 -1.23 0.00 0.00 177.57 176.03 1ji5 h GLU 106 N 0.03 0.00 -0.01 5.19 5.08 -1.54 -1.48 114.58 121.84 1ji5 h GLU 106 Ca 0.02 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.37 1ji5 h GLU 106 Cb 0.04 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.29 1ji5 h GLU 106 CO -0.00 0.00 -0.04 -0.07 -1.00 0.00 0.00 179.01 177.89 1ji5 h LEU 107 N 0.00 0.06 -0.46 1.33 3.38 -0.35 0.08 115.31 119.34 1ji5 h LEU 107 Ca 0.03 -0.63 0.08 0.00 0.09 0.00 0.00 57.88 57.45 1ji5 h LEU 107 Cb 0.12 -0.02 -0.07 0.00 0.09 0.00 0.00 40.66 40.78 1ji5 h LEU 107 CO -0.00 0.68 0.03 0.11 0.09 0.00 0.00 178.44 179.36 1ji5 h LYS 108 N -0.56 0.15 -0.63 1.13 1.57 -0.59 0.38 116.57 118.02 1ji5 h LYS 108 Ca -0.00 -0.01 0.04 0.00 -1.87 0.00 0.00 60.65 58.81 1ji5 h LYS 108 Cb 0.68 -0.03 -0.05 0.00 0.08 0.00 0.00 32.23 32.91 1ji5 h LYS 108 CO 0.01 0.10 0.37 0.87 -0.57 0.00 0.00 179.45 180.23 1ji5 h LYS 109 N 0.15 0.69 -0.60 3.15 1.57 -1.29 -1.50 116.57 118.74 1ji5 h LYS 109 Ca 0.23 -0.04 0.01 0.00 -1.87 0.00 0.00 60.65 58.98 1ji5 h LYS 109 Cb 0.33 -0.16 -0.03 0.00 0.08 0.00 0.00 32.23 32.45 1ji5 h LYS 109 CO -0.36 0.46 0.40 0.78 -0.57 0.00 0.00 179.45 180.16 1ji5 h GLY 110 N 0.71 0.84 1.71 3.86 0.00 0.16 -2.09 103.07 108.27 1ji5 h GLY 110 Ca 0.27 -0.31 -0.18 0.00 0.00 0.00 0.00 47.33 47.11 1ji5 h GLY 110 CO -0.13 0.31 -0.74 -0.33 0.00 0.00 0.00 176.54 175.65 1ji5 h MET 111 N 0.81 0.28 0.40 4.80 2.86 0.21 -1.94 114.93 122.34 1ji5 h MET 111 Ca 0.22 -0.24 -0.01 0.00 -2.06 0.00 0.00 59.70 57.61 1ji5 h MET 111 Cb -0.09 0.05 -0.01 0.00 0.06 0.00 0.00 31.60 31.61 1ji5 h MET 111 CO -0.05 0.90 -0.34 0.93 1.06 0.00 0.00 176.91 179.41 1ji5 h GLU 112 N 0.19 -0.69 -0.52 1.72 4.39 -0.63 0.81 114.58 119.84 1ji5 h GLU 112 Ca -0.03 0.05 0.02 0.00 0.34 0.00 0.00 59.36 59.74 1ji5 h GLU 112 Cb 1.30 0.16 -0.03 0.00 -0.10 0.00 0.00 28.75 30.08 1ji5 h GLU 112 CO 0.12 -0.46 0.35 0.97 -1.16 0.00 0.00 179.01 178.82 1ji5 h ILE 113 N -0.72 1.08 -0.10 3.13 -0.00 -1.50 0.10 117.51 119.50 1ji5 h ILE 113 Ca -0.05 -0.22 -0.00 0.00 -0.00 0.00 0.00 64.86 64.59 1ji5 h ILE 113 Cb 0.61 0.39 -0.00 0.00 -0.00 0.00 0.00 36.82 37.82 1ji5 h ILE 113 CO -0.01 0.12 0.05 0.00 -0.00 0.00 0.00 178.15 178.31 1ji5 h ALA 114 N 1.69 0.13 -0.71 0.18 0.00 -1.08 0.16 119.26 119.63 1ji5 h ALA 114 Ca 0.20 -0.06 -0.05 0.00 0.00 0.00 0.00 54.91 55.00 1ji5 h ALA 114 Cb 0.04 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 17.76 1ji5 h ALA 114 CO -0.05 -0.33 0.23 1.96 0.00 0.00 0.00 179.25 181.07 1ji5 h GLN 115 N 0.06 1.10 0.00 0.00 4.20 -0.11 0.13 115.11 120.49 1ji5 h GLN 115 Ca 0.04 -0.23 -0.06 0.00 0.06 0.00 0.00 58.65 58.46 1ji5 h GLN 115 Cb 0.09 -0.16 -0.01 0.00 0.30 0.00 0.00 27.48 27.70 1ji5 h GLN 115 CO -0.01 0.94 -0.27 -0.91 -0.67 0.00 0.00 178.83 177.91 1ji5 h ASN 116 N 1.04 0.00 -0.37 1.46 -0.26 -0.41 -1.25 115.58 115.79 1ji5 h ASN 116 Ca 0.23 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 55.97 1ji5 h ASN 116 Cb 0.29 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.55 1ji5 h ASN 116 CO -0.01 0.27 0.00 -1.20 -1.06 0.00 0.00 177.43 175.43 1ji5 n SER 117 N -4.17 3.83 -3.55 5.81 7.64 0.53 -4.91 113.62 118.80 1ji5 n SER 117 Ca -0.02 -2.52 -0.24 0.00 1.01 0.00 0.00 58.87 57.10 1ji5 n SER 117 Cb 0.33 -0.58 0.05 0.00 -1.01 0.00 0.00 64.21 62.99 1ji5 n SER 117 CO 0.00 0.00 0.00 -0.67 -3.01 0.00 0.00 175.04 171.36 1ji5 n ASP 118 N 0.45 -4.82 -3.08 6.43 2.03 -0.47 -4.97 116.55 112.11 1ji5 n ASP 118 Ca 0.17 -0.88 -0.19 0.00 0.52 0.00 0.00 54.79 54.41 1ji5 n ASP 118 Cb 0.80 -4.11 -0.03 0.00 -0.72 0.00 0.00 41.12 37.06 1ji5 n ASP 118 CO 0.00 0.00 0.00 -0.67 -1.92 0.00 0.00 177.20 174.61 1ji5 n ASP 119 N -2.93 -0.42 0.05 1.67 -0.08 0.41 -4.93 116.55 110.33 1ji5 n ASP 119 Ca -0.13 -2.92 0.09 0.00 -1.51 0.00 0.00 54.79 50.32 1ji5 n ASP 119 Cb 0.62 -0.04 0.39 0.00 2.34 0.00 0.00 41.12 44.43 1ji5 n ASP 119 CO 0.00 0.00 0.00 -1.84 0.12 0.00 0.00 177.20 175.48 1ji5 n GLU 120 N 1.19 0.08 0.41 -0.67 0.28 -1.26 -2.46 120.64 118.22 1ji5 n GLU 120 Ca 0.19 0.31 -0.16 0.00 -0.16 0.00 0.00 57.16 57.33 1ji5 n GLU 120 Cb 0.58 -1.65 -0.08 0.00 1.43 0.00 0.00 31.44 31.73 1ji5 n GLU 120 CO 0.00 0.00 0.00 0.52 -0.16 0.00 0.00 177.13 177.49 1ji5 h MET 121 N 0.00 -1.01 -0.87 3.44 2.86 -1.93 0.48 114.93 117.91 1ji5 h MET 121 Ca 0.00 0.07 0.11 0.00 -2.06 0.00 0.00 59.70 57.82 1ji5 h MET 121 Cb 0.31 0.23 -0.06 0.00 0.06 0.00 0.00 31.60 32.13 1ji5 h MET 121 CO 0.00 -0.67 0.56 1.15 1.06 0.00 0.00 176.91 179.01 1ji5 h THR 122 N -1.06 0.91 -0.73 2.22 2.02 -1.90 0.33 112.91 114.70 1ji5 h THR 122 Ca -0.11 -0.27 0.01 0.00 0.77 0.00 0.00 66.41 66.81 1ji5 h THR 122 Cb 0.80 0.07 -0.04 0.00 -1.74 0.00 0.00 68.15 67.24 1ji5 h THR 122 CO 0.18 0.14 0.48 -1.28 0.37 0.00 0.00 175.52 175.41 1ji5 h SER 123 N 0.78 0.84 -0.70 4.18 0.87 -1.10 -0.59 113.55 117.83 1ji5 h SER 123 Ca 0.42 -0.03 -0.01 0.00 -1.23 0.00 0.00 61.79 60.94 1ji5 h SER 123 Cb 0.53 -0.21 -0.03 0.00 -0.44 0.00 0.00 62.40 62.25 1ji5 h SER 123 CO -0.18 0.61 0.40 -0.78 -0.53 0.00 0.00 176.83 176.35 1ji5 h ASP 124 N 0.99 0.87 -0.04 6.23 3.58 0.20 0.35 116.42 128.60 1ji5 h ASP 124 Ca 0.27 -0.09 0.02 0.00 0.42 0.00 0.00 57.03 57.65 1ji5 h ASP 124 Cb -0.11 -0.22 -0.02 0.00 1.72 0.00 0.00 39.33 40.70 1ji5 h ASP 124 CO -0.06 0.70 -0.06 0.25 -2.88 0.00 0.00 179.24 177.20 1ji5 h LEU 125 N 0.96 -0.17 -0.91 2.28 5.85 -0.60 -2.07 115.31 120.66 1ji5 h LEU 125 Ca 0.25 0.03 -0.02 0.00 0.84 0.00 0.00 57.88 58.98 1ji5 h LEU 125 Cb 0.02 0.08 -0.04 0.00 0.37 0.00 0.00 40.66 41.09 1ji5 h LEU 125 CO -0.04 -0.08 0.49 -0.07 -0.34 0.00 0.00 178.44 178.40 1ji5 h LEU 126 N -0.08 1.13 -1.00 2.25 4.07 -0.63 -2.41 115.31 118.64 1ji5 h LEU 126 Ca 0.04 -0.10 0.10 0.00 0.08 0.00 0.00 57.88 57.99 1ji5 h LEU 126 Cb 0.13 -0.29 -0.08 0.00 1.08 0.00 0.00 40.66 41.51 1ji5 h LEU 126 CO -0.09 0.91 0.64 0.25 -1.08 0.00 0.00 178.44 179.07 1ji5 h LEU 127 N 1.27 0.97 -0.05 1.67 5.85 0.16 -1.54 115.31 123.63 1ji5 h LEU 127 Ca 0.32 0.03 0.00 0.00 0.84 0.00 0.00 57.88 59.07 1ji5 h LEU 127 Cb 0.03 -0.17 -0.00 0.00 0.37 0.00 0.00 40.66 40.89 1ji5 h LEU 127 CO -0.05 0.56 0.03 1.23 -0.34 0.00 0.00 178.44 179.87 1ji5 h GLY 128 N 1.07 0.07 0.76 3.75 0.00 -0.86 -1.26 103.07 106.60 1ji5 h GLY 128 Ca 0.47 -0.02 0.06 0.00 0.00 0.00 0.00 47.33 47.83 1ji5 h GLY 128 CO -0.23 0.02 0.55 -2.22 0.00 0.00 0.00 176.54 174.66 1ji5 h ILE 129 N 0.07 1.07 -0.01 2.60 2.04 -1.37 -0.28 117.51 121.62 1ji5 h ILE 129 Ca 0.02 -0.35 0.03 0.00 1.00 0.00 0.00 64.86 65.56 1ji5 h ILE 129 Cb -0.00 -0.04 -0.03 0.00 -0.74 0.00 0.00 36.82 36.01 1ji5 h ILE 129 CO -0.01 0.19 -0.16 0.22 0.00 0.00 0.00 178.15 178.39 1ji5 h TYR 130 N 1.02 -0.41 -0.51 1.37 3.20 -0.76 0.10 116.97 120.98 1ji5 h TYR 130 Ca 0.37 0.01 0.04 0.00 3.14 0.00 0.00 58.73 62.29 1ji5 h TYR 130 Cb 0.13 0.18 -0.04 0.00 1.54 0.00 0.00 36.73 38.54 1ji5 h TYR 130 CO -0.03 -0.23 0.28 1.15 -1.64 0.00 0.00 178.16 177.69 1ji5 h THR 131 N -0.26 1.00 0.28 1.81 2.02 -0.63 -0.92 112.91 116.21 1ji5 h THR 131 Ca 0.06 -0.19 0.00 0.00 0.77 0.00 0.00 66.41 67.05 1ji5 h THR 131 Cb 0.33 0.40 -0.02 0.00 -1.74 0.00 0.00 68.15 67.12 1ji5 h THR 131 CO -0.16 0.10 -0.29 -0.08 0.37 0.00 0.00 175.52 175.46 1ji5 h GLU 132 N 0.55 -0.58 -0.82 6.66 4.81 -0.28 -2.73 114.58 122.18 1ji5 h GLU 132 Ca 0.22 0.04 -0.01 0.00 -0.13 0.00 0.00 59.36 59.47 1ji5 h GLU 132 Cb 0.08 0.13 -0.04 0.00 0.63 0.00 0.00 28.75 29.55 1ji5 h GLU 132 CO -0.13 -0.39 0.47 -0.07 -0.73 0.00 0.00 179.01 178.17 1ji5 h LEU 133 N -0.60 1.01 -1.00 1.64 3.38 -0.65 -2.65 115.31 116.44 1ji5 h LEU 133 Ca -0.01 -0.08 0.12 0.00 0.09 0.00 0.00 57.88 57.99 1ji5 h LEU 133 Cb 0.56 -0.26 -0.08 0.00 0.09 0.00 0.00 40.66 40.97 1ji5 h LEU 133 CO -0.07 0.80 0.63 -0.33 0.09 0.00 0.00 178.44 179.57 1ji5 h GLU 134 N 1.14 0.98 -0.11 1.13 5.08 -0.97 0.27 114.58 122.09 1ji5 h GLU 134 Ca 0.29 -0.06 -0.02 0.00 -1.00 0.00 0.00 59.36 58.57 1ji5 h GLU 134 Cb -0.00 -0.22 -0.00 0.00 0.50 0.00 0.00 28.75 29.02 1ji5 h GLU 134 CO -0.05 0.65 -0.01 -0.22 -1.00 0.00 0.00 179.01 178.37 1ji5 h LYS 135 N 1.01 0.21 -0.09 2.33 3.64 -1.21 -2.68 116.57 119.78 1ji5 h LYS 135 Ca 0.49 -0.07 0.04 0.00 -1.27 0.00 0.00 60.65 59.83 1ji5 h LYS 135 Cb 0.46 -0.02 -0.04 0.00 -0.41 0.00 0.00 32.23 32.23 1ji5 h LYS 135 CO -0.26 0.48 -0.14 0.45 -2.27 0.00 0.00 179.45 177.71 1ji5 h HIS 136 N -0.09 -0.36 -0.82 1.91 3.86 -0.95 -1.86 115.15 116.84 1ji5 h HIS 136 Ca 0.03 0.02 0.19 0.00 -1.16 0.00 0.00 60.37 59.45 1ji5 h HIS 136 Cb 0.40 0.17 -0.12 0.00 1.06 0.00 0.00 27.41 28.93 1ji5 h HIS 136 CO 0.04 -0.21 0.28 0.00 0.86 0.00 0.00 177.93 178.90 1ji5 h ALA 137 N 0.84 1.18 0.05 2.45 0.00 -0.46 0.51 119.26 123.84 1ji5 h ALA 137 Ca 0.08 0.16 -0.00 0.00 0.00 0.00 0.00 54.91 55.15 1ji5 h ALA 137 Cb 0.30 0.19 0.00 0.00 0.00 0.00 0.00 17.79 18.28 1ji5 h ALA 137 CO -0.21 -0.33 -0.02 2.35 0.00 0.00 0.00 179.25 181.04 1ji5 h TRP 138 N 0.34 -0.06 -0.47 0.00 7.01 -1.01 0.32 115.95 122.07 1ji5 h TRP 138 Ca 0.48 -0.00 -0.06 0.00 2.11 0.00 0.00 58.89 61.42 1ji5 h TRP 138 Cb 0.86 0.02 -0.02 0.00 -2.10 0.00 0.00 29.16 27.93 1ji5 h TRP 138 CO -0.21 0.04 0.07 0.52 -2.79 0.00 0.00 178.44 176.07 1ji5 h MET 139 N -0.15 0.78 -0.16 2.65 0.00 -0.46 0.34 114.93 117.93 1ji5 h MET 139 Ca -0.01 -0.21 -0.00 0.00 0.00 0.00 0.00 59.70 59.48 1ji5 h MET 139 Cb 0.13 -0.09 -0.01 0.00 0.00 0.00 0.00 31.60 31.63 1ji5 h MET 139 CO 0.01 0.80 0.09 -0.07 0.00 0.00 0.00 176.91 177.74 1ji5 h LEU 140 N 0.65 0.19 -0.09 1.22 4.07 0.06 -1.03 115.31 120.39 1ji5 h LEU 140 Ca 0.14 -0.06 0.03 0.00 0.08 0.00 0.00 57.88 58.07 1ji5 h LEU 140 Cb 0.40 -0.05 -0.03 0.00 1.08 0.00 0.00 40.66 42.06 1ji5 h LEU 140 CO 0.01 0.19 -0.07 -0.09 -1.08 0.00 0.00 178.44 177.40 1ji5 h ARG 141 N 0.18 -0.09 -0.08 1.13 2.43 -0.06 -1.57 114.38 116.31 1ji5 h ARG 141 Ca 0.06 0.01 0.02 0.00 -0.81 0.00 0.00 59.98 59.26 1ji5 h ARG 141 Cb 0.04 0.02 -0.00 0.00 -0.42 0.00 0.00 29.97 29.61 1ji5 h ARG 141 CO -0.01 -0.06 0.07 0.00 -1.51 0.00 0.00 179.97 178.46 1ji5 h ALA 142 N 0.98 1.87 -0.57 2.80 0.00 -0.12 0.71 119.26 124.93 1ji5 h ALA 142 Ca 0.06 -0.00 -0.10 0.00 0.00 0.00 0.00 54.91 54.87 1ji5 h ALA 142 Cb 0.18 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 17.95 1ji5 h ALA 142 CO -0.14 -0.11 -0.04 0.35 0.00 0.00 0.00 179.25 179.30 1ji5 h PHE 143 N 0.00 1.12 0.00 0.00 3.57 -0.19 -3.37 116.94 118.06 1ji5 h PHE 143 Ca 0.04 -0.20 0.00 0.00 3.53 0.00 0.00 57.97 61.34 1ji5 h PHE 143 Cb 0.18 -0.29 0.00 0.00 2.79 0.00 0.00 35.95 38.63 1ji5 h PHE 143 CO 0.00 1.01 0.00 1.28 -2.23 0.00 0.00 178.31 178.37 1ji5 n LEU 144 N -4.17 2.45 0.00 0.59 7.99 0.05 -5.11 117.00 118.81 1ji5 n LEU 144 Ca 0.02 0.00 0.00 0.00 -0.01 0.00 0.00 56.01 56.02 1ji5 n LEU 144 Cb 0.36 0.00 0.00 0.00 -0.11 0.00 0.00 43.42 43.67 1ji5 n LEU 144 CO 0.44 0.00 0.00 0.59 -1.51 0.00 0.00 177.39 176.91