#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 1.45 -0.69 5.09 2.07 -1.98 -3.11 116.25 119.08 1ji5 h VAL 5 Ca 0.00 -2.67 0.17 0.00 0.82 0.00 0.00 66.70 65.01 1ji5 h VAL 5 Cb 0.00 2.58 -0.04 0.00 -1.52 0.00 0.00 31.29 32.32 1ji5 h VAL 5 CO 0.00 0.79 0.48 0.40 0.02 0.00 0.00 177.57 179.26 1ji5 h ILE 6 N 0.16 0.73 -0.08 4.57 2.04 -1.97 0.79 117.51 123.74 1ji5 h ILE 6 Ca -0.09 -0.07 -0.21 0.00 1.00 0.00 0.00 64.86 65.50 1ji5 h ILE 6 Cb 1.68 0.51 0.00 0.00 -0.74 0.00 0.00 36.82 38.27 1ji5 h ILE 6 CO 0.17 0.04 -0.79 -0.08 0.00 0.00 0.00 178.15 177.48 1ji5 h GLU 7 N 0.20 0.53 0.27 2.37 4.57 -1.97 0.11 114.58 120.66 1ji5 h GLU 7 Ca 0.34 -0.46 -0.01 0.00 -1.18 0.00 0.00 59.36 58.05 1ji5 h GLU 7 Cb 1.04 0.10 0.00 0.00 -0.16 0.00 0.00 28.75 29.73 1ji5 h GLU 7 CO -0.06 1.09 -0.13 0.28 -1.18 0.00 0.00 179.01 179.00 1ji5 h VAL 8 N 0.35 0.77 -0.46 0.32 2.07 -0.96 -1.80 116.25 116.53 1ji5 h VAL 8 Ca -0.05 -0.25 0.04 0.00 0.82 0.00 0.00 66.70 67.26 1ji5 h VAL 8 Cb 1.39 0.91 -0.04 0.00 -1.52 0.00 0.00 31.29 32.03 1ji5 h VAL 8 CO 0.14 0.05 0.22 -0.07 0.02 0.00 0.00 177.57 177.94 1ji5 h LEU 9 N -0.49 0.30 -1.93 2.57 4.07 -1.15 -1.61 115.31 117.07 1ji5 h LEU 9 Ca -0.04 0.03 -0.02 0.00 0.08 0.00 0.00 57.88 57.93 1ji5 h LEU 9 Cb 0.37 -0.02 -0.00 0.00 1.08 0.00 0.00 40.66 42.08 1ji5 h LEU 9 CO 0.06 0.21 -0.11 0.78 -1.08 0.00 0.00 178.44 178.30 1ji5 h ASN 10 N 0.43 0.00 0.47 -0.43 2.35 -0.68 0.15 115.58 117.87 1ji5 h ASN 10 Ca 0.20 0.00 -0.20 0.00 -0.55 0.00 0.00 56.30 55.75 1ji5 h ASN 10 Cb 0.13 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.49 1ji5 h ASN 10 CO -0.16 0.11 -0.87 0.50 -1.65 0.00 0.00 177.43 175.36 1ji5 h LYS 11 N 0.00 0.28 -0.14 0.81 3.64 -0.47 -1.97 116.57 118.73 1ji5 h LYS 11 Ca -0.00 -0.29 -0.00 0.00 -1.27 0.00 0.00 60.65 59.08 1ji5 h LYS 11 Cb 0.24 0.08 -0.01 0.00 -0.41 0.00 0.00 32.23 32.14 1ji5 h LYS 11 CO 0.01 0.99 0.08 1.96 -2.27 0.00 0.00 179.45 180.23 1ji5 h GLN 12 N 0.16 0.18 -0.11 1.90 1.08 -0.13 0.27 115.11 118.46 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 1.49 -0.04 -0.05 0.00 -0.05 0.00 0.00 27.48 28.83 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 0.15 0.51 -0.00 -0.54 2.07 -0.65 0.28 116.25 118.06 1ji5 h VAL 13 Ca 0.05 0.00 0.02 0.00 0.82 0.00 0.00 66.70 67.59 1ji5 h VAL 13 Cb 0.03 0.51 -0.02 0.00 -1.52 0.00 0.00 31.29 30.29 1ji5 h VAL 13 CO -0.01 0.00 -0.10 0.00 0.02 0.00 0.00 177.57 177.48 1ji5 h ALA 14 N 0.74 -0.11 0.04 1.67 0.00 -1.08 0.57 119.26 121.08 1ji5 h ALA 14 Ca 0.09 0.01 0.03 0.00 0.00 0.00 0.00 54.91 55.04 1ji5 h ALA 14 Cb 0.39 0.18 -0.04 0.00 0.00 0.00 0.00 17.79 18.32 1ji5 h ALA 14 CO -0.26 -0.59 -0.25 -0.44 0.00 0.00 0.00 179.25 177.70 1ji5 h ASP 15 N -0.17 -0.74 -0.71 0.00 3.32 0.14 -0.93 116.42 117.32 1ji5 h ASP 15 Ca 0.04 0.10 0.04 0.00 0.02 0.00 0.00 57.03 57.23 1ji5 h ASP 15 Cb 0.22 0.30 -0.04 0.00 0.22 0.00 0.00 39.33 40.03 1ji5 h ASP 15 CO -0.10 -0.33 0.47 -0.50 -1.72 0.00 0.00 179.24 177.05 1ji5 h TRP 16 N -0.41 0.81 -0.81 4.55 4.06 -0.23 0.71 115.95 124.63 1ji5 h TRP 16 Ca 0.05 0.02 -0.04 0.00 2.06 0.00 0.00 58.89 60.98 1ji5 h TRP 16 Cb 0.48 -0.27 -0.04 0.00 -1.00 0.00 0.00 29.16 28.33 1ji5 h TRP 16 CO -0.27 0.46 0.35 0.77 -3.56 0.00 0.00 178.44 176.19 1ji5 h SER 17 N 0.83 1.09 -0.09 -3.49 0.02 -0.15 0.12 113.55 111.88 1ji5 h SER 17 Ca 0.29 -0.16 -0.02 0.00 -0.84 0.00 0.00 61.79 61.06 1ji5 h SER 17 Cb 0.11 -0.28 -0.00 0.00 0.14 0.00 0.00 62.40 62.37 1ji5 h SER 17 CO -0.09 0.95 -0.01 0.58 -1.14 0.00 0.00 176.83 177.12 1ji5 h VAL 18 N 1.16 1.28 -0.72 2.27 2.07 0.18 -2.80 116.25 119.69 1ji5 h VAL 18 Ca 0.27 -0.88 0.14 0.00 0.82 0.00 0.00 66.70 67.05 1ji5 h VAL 18 Cb 0.18 1.69 -0.10 0.00 -1.52 0.00 0.00 31.29 31.54 1ji5 h VAL 18 CO -0.03 0.25 0.24 -0.07 0.02 0.00 0.00 177.57 177.98 1ji5 h LEU 19 N -0.15 0.16 -0.50 2.57 -0.00 -0.45 0.80 115.31 117.74 1ji5 h LEU 19 Ca 0.02 0.12 0.10 0.00 -0.00 0.00 0.00 57.88 58.12 1ji5 h LEU 19 Cb 0.39 0.13 -0.10 0.00 -0.00 0.00 0.00 40.66 41.08 1ji5 h LEU 19 CO 0.01 0.05 -0.29 0.15 -0.00 0.00 0.00 178.44 178.35 1ji5 h PHE 20 N 0.36 -0.79 -0.20 1.13 3.04 -0.51 0.45 116.94 120.43 1ji5 h PHE 20 Ca 0.40 0.06 -0.08 0.00 3.98 0.00 0.00 57.97 62.33 1ji5 h PHE 20 Cb 0.62 0.42 -0.00 0.00 2.56 0.00 0.00 35.95 39.55 1ji5 h PHE 20 CO -0.20 -0.36 -0.17 1.15 -2.02 0.00 0.00 178.31 176.71 1ji5 h THR 21 N -0.18 1.33 -0.78 4.41 2.02 -1.14 -2.58 112.91 115.99 1ji5 h THR 21 Ca 0.21 -1.31 0.06 0.00 0.77 0.00 0.00 66.41 66.14 1ji5 h THR 21 Cb 0.52 1.74 -0.05 0.00 -1.74 0.00 0.00 68.15 68.63 1ji5 h THR 21 CO -0.60 0.40 0.51 0.50 0.37 0.00 0.00 175.52 176.70 1ji5 h LYS 22 N 0.14 0.84 -0.01 6.66 3.64 -0.17 -0.50 116.57 127.17 1ji5 h LYS 22 Ca 0.03 -0.05 -0.13 0.00 -1.27 0.00 0.00 60.65 59.24 1ji5 h LYS 22 Cb 0.70 -0.19 -0.02 0.00 -0.41 0.00 0.00 32.23 32.32 1ji5 h LYS 22 CO 0.04 0.56 -0.58 -0.07 -2.27 0.00 0.00 179.45 177.13 1ji5 h LEU 23 N 0.87 0.05 -0.29 5.20 3.38 -0.05 -2.17 115.31 122.30 1ji5 h LEU 23 Ca 0.33 -0.03 -0.10 0.00 0.09 0.00 0.00 57.88 58.17 1ji5 h LEU 23 Cb 0.19 -0.01 -0.01 0.00 0.09 0.00 0.00 40.66 40.92 1ji5 h LEU 23 CO -0.11 0.62 -0.23 0.45 0.09 0.00 0.00 178.44 179.26 1ji5 h HIS 24 N 0.03 0.79 0.20 1.13 3.86 -0.77 0.16 115.15 120.55 1ji5 h HIS 24 Ca -0.01 -0.22 0.01 0.00 -1.16 0.00 0.00 60.37 59.00 1ji5 h HIS 24 Cb 1.04 -0.17 -0.03 0.00 1.06 0.00 0.00 27.41 29.31 1ji5 h HIS 24 CO 0.00 0.94 -0.34 -0.97 0.86 0.00 0.00 177.93 178.42 1ji5 h ASN 25 N 0.41 -0.98 -0.71 2.45 -0.73 -0.99 0.57 115.58 115.60 1ji5 h ASN 25 Ca 0.05 0.10 0.01 0.00 1.87 0.00 0.00 56.30 58.33 1ji5 h ASN 25 Cb 0.78 0.36 -0.04 0.00 0.27 0.00 0.00 38.32 39.69 1ji5 h ASN 25 CO 0.06 -0.45 0.47 -0.26 -0.37 0.00 0.00 177.43 176.88 1ji5 h PHE 26 N -0.62 0.89 -0.47 0.67 -1.00 -1.36 0.46 116.94 115.51 1ji5 h PHE 26 Ca 0.01 0.02 0.02 0.00 2.81 0.00 0.00 57.97 60.83 1ji5 h PHE 26 Cb 0.62 -0.30 -0.03 0.00 3.61 0.00 0.00 35.95 39.85 1ji5 h PHE 26 CO -0.27 0.56 0.28 1.25 -1.61 0.00 0.00 178.31 178.53 1ji5 h HIS 27 N 0.96 0.53 0.17 -0.55 -0.00 0.53 -2.06 115.15 114.74 1ji5 h HIS 27 Ca 0.26 0.02 -0.31 0.00 -0.00 0.00 0.00 60.37 60.33 1ji5 h HIS 27 Cb -0.11 -0.17 0.03 0.00 -0.00 0.00 0.00 27.41 27.16 1ji5 h HIS 27 CO -0.00 0.31 -1.34 -1.49 -0.00 0.00 0.00 177.93 175.41 1ji5 h TRP 28 N 0.57 1.00 -0.01 5.26 6.55 0.14 -3.38 115.95 126.08 1ji5 h TRP 28 Ca 0.19 -0.67 0.00 0.00 0.95 0.00 0.00 58.89 59.36 1ji5 h TRP 28 Cb -0.00 -0.06 0.00 0.00 -0.86 0.00 0.00 29.16 28.24 1ji5 h TRP 28 CO -0.06 1.51 -0.26 0.66 -1.05 0.00 0.00 178.44 179.24 1ji5 n TYR 29 N -3.76 0.00 -1.77 0.49 4.01 0.15 -4.97 117.16 111.31 1ji5 n TYR 29 Ca -0.15 0.00 -0.37 0.00 -0.16 0.00 0.00 57.90 57.23 1ji5 n TYR 29 Cb 1.03 -0.06 0.06 0.00 -0.31 0.00 0.00 39.34 40.07 1ji5 n TYR 29 CO 0.00 0.00 0.00 0.54 -0.46 0.00 0.00 176.86 176.94 1ji5 s VAL 30 N -2.37 2.17 0.16 -0.72 0.11 -0.78 -5.00 120.40 113.98 1ji5 s VAL 30 Ca 0.25 0.11 -0.13 0.00 -2.93 0.00 0.00 61.98 59.28 1ji5 s VAL 30 Cb 0.19 -3.01 0.01 0.00 -1.53 0.00 0.00 36.38 32.04 1ji5 s VAL 30 CO 0.49 -0.02 0.36 -0.54 -3.33 0.00 0.00 175.10 172.06 1ji5 s LYS 31 N -3.41 1.18 0.00 1.54 1.02 -1.26 -4.97 119.74 113.84 1ji5 s LYS 31 Ca 0.81 -0.99 0.00 0.00 0.02 0.00 0.00 55.97 55.81 1ji5 s LYS 31 Cb -0.35 0.43 0.00 0.00 -0.52 0.00 0.00 37.83 37.39 1ji5 s LYS 31 CO 0.39 -0.46 0.00 0.41 -0.92 0.00 0.00 175.35 174.77 1ji5 n GLY 32 N -0.24 -0.66 0.00 -3.33 0.00 -1.26 -4.54 105.19 95.17 1ji5 n GLY 32 Ca -0.10 -2.24 0.10 0.00 0.00 0.00 0.00 46.02 43.78 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 -0.35 0.46 -0.19 1.61 -0.04 -1.26 -1.93 135.00 133.30 1ji5 n PRO 33 Ca 0.00 0.05 0.07 0.00 -0.04 0.00 0.00 63.50 63.58 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 2.61 0.00 0.54 1.13 -1.26 -4.76 117.38 114.48 1ji5 n GLN 34 Ca 0.13 -2.07 0.00 0.00 -1.94 0.00 0.00 57.00 53.12 1ji5 n GLN 34 Cb 0.12 -1.32 0.00 0.00 0.11 0.00 0.00 30.24 29.15 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 0.74 0.00 -0.17 1.08 7.35 -0.81 -0.04 117.46 125.61 1ji5 n PHE 35 Ca 0.13 0.00 -0.03 0.00 -0.76 0.00 0.00 57.45 56.80 1ji5 n PHE 35 Cb 0.45 -0.43 0.04 0.00 0.35 0.00 0.00 39.48 39.88 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 -0.36 -0.47 -5.13 0.04 -1.85 1.60 116.94 110.77 1ji5 h PHE 36 Ca 0.00 0.05 -0.11 0.00 2.80 0.00 0.00 57.97 60.71 1ji5 h PHE 36 Cb 0.00 0.24 -0.02 0.00 2.20 0.00 0.00 35.95 38.37 1ji5 h PHE 36 CO -0.48 -0.25 -0.14 1.79 -0.60 0.00 0.00 178.31 178.62 1ji5 h THR 37 N -0.03 1.27 0.08 -1.55 1.35 -1.86 -2.16 112.91 110.00 1ji5 h THR 37 Ca 0.25 -1.26 -0.25 0.00 -0.55 0.00 0.00 66.41 64.59 1ji5 h THR 37 Cb 0.41 1.06 0.00 0.00 -1.73 0.00 0.00 68.15 67.90 1ji5 h THR 37 CO -0.55 0.43 -1.12 -0.07 -0.25 0.00 0.00 175.52 173.96 1ji5 h LEU 38 N 0.79 0.43 -0.86 3.87 -0.00 0.59 -1.64 115.31 118.49 1ji5 h LEU 38 Ca 0.12 -0.42 0.08 0.00 -0.00 0.00 0.00 57.88 57.66 1ji5 h LEU 38 Cb 0.67 -0.14 -0.07 0.00 -0.00 0.00 0.00 40.66 41.13 1ji5 h LEU 38 CO 0.05 1.28 0.52 -0.74 -0.00 0.00 0.00 178.44 179.55 1ji5 h HIS 39 N 0.12 0.95 0.39 1.13 2.76 0.23 -1.63 115.15 119.11 1ji5 h HIS 39 Ca -0.11 0.03 -0.02 0.00 -2.20 0.00 0.00 60.37 58.07 1ji5 h HIS 39 Cb 1.82 -0.30 0.00 0.00 1.55 0.00 0.00 27.41 30.48 1ji5 h HIS 39 CO 0.06 0.45 -0.19 1.49 -1.30 0.00 0.00 177.93 178.44 1ji5 h GLU 40 N 0.92 -0.51 -0.67 5.26 4.81 -1.36 -3.17 114.58 119.86 1ji5 h GLU 40 Ca 0.39 0.03 0.14 0.00 -0.13 0.00 0.00 59.36 59.80 1ji5 h GLU 40 Cb 0.25 0.12 -0.11 0.00 0.63 0.00 0.00 28.75 29.63 1ji5 h GLU 40 CO -0.20 -0.20 0.05 -0.22 -0.73 0.00 0.00 179.01 177.70 1ji5 h LYS 41 N -0.97 0.15 -1.00 1.92 1.63 -1.02 -0.60 116.57 116.69 1ji5 h LYS 41 Ca -0.05 -0.01 0.04 0.00 -0.85 0.00 0.00 60.65 59.77 1ji5 h LYS 41 Cb 0.54 -0.03 -0.06 0.00 -0.60 0.00 0.00 32.23 32.08 1ji5 h LYS 41 CO 0.09 0.10 0.65 0.74 -3.45 0.00 0.00 179.45 177.58 1ji5 h PHE 42 N 0.15 1.22 -0.48 1.91 0.04 -1.39 -0.36 116.94 118.03 1ji5 h PHE 42 Ca 0.36 0.03 -0.04 0.00 2.80 0.00 0.00 57.97 61.13 1ji5 h PHE 42 Cb 0.61 -0.41 -0.02 0.00 2.20 0.00 0.00 35.95 38.33 1ji5 h PHE 42 CO -0.35 0.71 0.14 1.49 -0.60 0.00 0.00 178.31 179.70 1ji5 h GLU 43 N 1.26 0.71 -0.40 1.51 4.81 -1.10 0.97 114.58 122.34 1ji5 h GLU 43 Ca 0.40 -0.12 -0.02 0.00 -0.13 0.00 0.00 59.36 59.48 1ji5 h GLU 43 Cb -0.00 -0.12 -0.02 0.00 0.63 0.00 0.00 28.75 29.24 1ji5 h GLU 43 CO -0.12 0.63 0.16 1.49 -0.73 0.00 0.00 179.01 180.44 1ji5 h GLU 44 N 0.70 0.60 -0.43 1.92 4.81 -0.59 -1.49 114.58 120.10 1ji5 h GLU 44 Ca 0.16 -0.11 -0.06 0.00 -0.13 0.00 0.00 59.36 59.22 1ji5 h GLU 44 Cb 0.22 -0.10 -0.02 0.00 0.63 0.00 0.00 28.75 29.49 1ji5 h GLU 44 CO -0.01 0.57 0.02 -0.07 -0.73 0.00 0.00 179.01 178.79 1ji5 h LEU 45 N 0.51 0.72 -0.81 1.64 4.07 -0.24 -1.88 115.31 119.31 1ji5 h LEU 45 Ca 0.13 -0.30 -0.01 0.00 0.08 0.00 0.00 57.88 57.79 1ji5 h LEU 45 Cb 0.19 -0.19 -0.00 0.00 1.08 0.00 0.00 40.66 41.73 1ji5 h LEU 45 CO -0.01 0.84 -0.06 0.10 -1.08 0.00 0.00 178.44 178.23 1ji5 h TYR 46 N 0.59 0.00 -0.17 1.13 -0.00 -0.78 0.76 116.97 118.50 1ji5 h TYR 46 Ca 0.12 0.00 -0.08 0.00 0.00 0.00 0.00 58.73 58.77 1ji5 h TYR 46 Cb 0.46 0.00 -0.00 0.00 0.00 0.00 0.00 36.73 37.19 1ji5 h TYR 46 CO 0.03 0.06 -0.21 1.15 -0.00 0.00 0.00 178.16 179.20 1ji5 h THR 47 N 0.00 1.34 -0.46 -0.90 2.02 -1.07 -1.42 112.91 112.43 1ji5 h THR 47 Ca -0.00 -1.40 0.00 0.00 0.77 0.00 0.00 66.41 65.78 1ji5 h THR 47 Cb 0.77 1.85 -0.02 0.00 -1.74 0.00 0.00 68.15 69.01 1ji5 h THR 47 CO 0.01 0.42 0.29 -0.33 0.37 0.00 0.00 175.52 176.28 1ji5 h GLU 48 N 0.09 0.61 -0.34 6.66 5.08 -0.94 -2.17 114.58 123.58 1ji5 h GLU 48 Ca 0.02 -0.04 0.06 0.00 -1.00 0.00 0.00 59.36 58.40 1ji5 h GLU 48 Cb 0.76 -0.13 -0.06 0.00 0.50 0.00 0.00 28.75 29.82 1ji5 h GLU 48 CO 0.05 0.42 -0.01 0.66 -1.00 0.00 0.00 179.01 179.13 1ji5 h SER 49 N 0.62 -0.16 -0.81 1.42 4.64 -0.73 -0.04 113.55 118.48 1ji5 h SER 49 Ca 0.17 0.08 0.10 0.00 -0.47 0.00 0.00 61.79 61.67 1ji5 h SER 49 Cb -0.04 0.15 -0.06 0.00 -0.31 0.00 0.00 62.40 62.14 1ji5 h SER 49 CO -0.03 -0.05 0.53 0.00 -0.87 0.00 0.00 176.83 176.41 1ji5 h ALA 50 N 1.30 1.76 0.02 5.18 0.00 -0.85 -0.93 119.26 125.74 1ji5 h ALA 50 Ca 0.16 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 55.07 1ji5 h ALA 50 Cb 0.23 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 17.85 1ji5 h ALA 50 CO -0.28 0.07 -0.01 1.15 0.00 0.00 0.00 179.25 180.18 1ji5 h THR 51 N 0.74 1.01 -0.46 0.00 2.02 -0.41 -2.86 112.91 112.95 1ji5 h THR 51 Ca 0.38 -0.08 0.06 0.00 0.77 0.00 0.00 66.41 67.54 1ji5 h THR 51 Cb 0.47 1.06 -0.05 0.00 -1.74 0.00 0.00 68.15 67.89 1ji5 h THR 51 CO -0.15 0.02 0.17 0.45 0.37 0.00 0.00 175.52 176.38 1ji5 h HIS 52 N -0.06 0.31 -0.91 3.16 3.86 -0.36 -1.76 115.15 119.39 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 0.05 -0.07 -0.11 0.00 1.06 0.00 0.00 27.41 28.34 1ji5 h HIS 52 CO -0.07 0.12 0.47 0.82 0.86 0.00 0.00 177.93 180.13 1ji5 h ILE 53 N 0.35 0.62 0.23 2.45 2.04 -1.03 -0.54 117.51 121.63 1ji5 h ILE 53 Ca 0.21 -0.20 -0.33 0.00 1.00 0.00 0.00 64.86 65.54 1ji5 h ILE 53 Cb 0.20 0.00 0.03 0.00 -0.74 0.00 0.00 36.82 36.31 1ji5 h ILE 53 CO -0.21 0.10 -1.49 -0.78 0.00 0.00 0.00 178.15 175.78 1ji5 h ASP 54 N 0.57 0.77 0.23 1.72 3.58 -1.20 -2.85 116.42 119.23 1ji5 h ASP 54 Ca 0.53 -0.85 -0.01 0.00 0.42 0.00 0.00 57.03 57.12 1ji5 h ASP 54 Cb 0.88 -0.25 0.00 0.00 1.72 0.00 0.00 39.33 41.68 1ji5 h ASP 54 CO -0.43 1.67 -0.11 -0.33 -2.88 0.00 0.00 179.24 177.16 1ji5 h GLU 55 N 0.13 -0.30 0.14 0.28 5.08 -0.84 -0.16 114.58 118.91 1ji5 h GLU 55 Ca -0.25 0.02 0.01 0.00 -1.00 0.00 0.00 59.36 58.14 1ji5 h GLU 55 Cb 2.14 0.07 -0.03 0.00 0.50 0.00 0.00 28.75 31.43 1ji5 h GLU 55 CO 0.26 -0.08 -0.22 0.82 -1.00 0.00 0.00 179.01 178.78 1ji5 h ILE 56 N -0.47 0.51 -0.26 3.13 2.04 -1.26 0.55 117.51 121.75 1ji5 h ILE 56 Ca -0.03 0.00 0.06 0.00 1.00 0.00 0.00 64.86 65.89 1ji5 h ILE 56 Cb 0.36 0.51 -0.07 0.00 -0.74 0.00 0.00 36.82 36.87 1ji5 h ILE 56 CO 0.05 0.00 -0.26 0.00 0.00 0.00 0.00 178.15 177.94 1ji5 h ALA 57 N 0.33 -0.16 0.00 1.87 0.00 -1.48 0.51 119.26 120.34 1ji5 h ALA 57 Ca 0.02 0.07 0.00 0.00 0.00 0.00 0.00 54.91 55.00 1ji5 h ALA 57 Cb 0.44 0.55 0.00 0.00 0.00 0.00 0.00 17.79 18.78 1ji5 h ALA 57 CO -0.11 -0.69 0.00 0.93 0.00 0.00 0.00 179.25 179.38 1ji5 h GLU 58 N -0.27 0.00 0.04 0.00 5.08 -0.58 0.16 114.58 119.01 1ji5 h GLU 58 Ca 0.14 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.50 1ji5 h GLU 58 Cb 0.48 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.73 1ji5 h GLU 58 CO -0.41 0.00 -0.02 -0.09 -1.00 0.00 0.00 179.01 177.49 1ji5 h ARG 59 N 0.00 -0.05 -0.07 2.33 9.65 0.50 -1.49 114.38 125.25 1ji5 h ARG 59 Ca 0.00 0.00 -0.03 0.00 -1.10 0.00 0.00 59.98 58.85 1ji5 h ARG 59 Cb 0.24 0.01 -0.01 0.00 -1.39 0.00 0.00 29.97 28.83 1ji5 h ARG 59 CO 0.00 0.60 -0.12 -0.84 2.80 0.00 0.00 179.97 182.41 1ji5 h ILE 60 N -0.90 1.13 -0.05 1.20 3.07 -0.66 0.26 117.51 121.56 1ji5 h ILE 60 Ca -0.01 -0.57 -0.07 0.00 1.55 0.00 0.00 64.86 65.77 1ji5 h ILE 60 Cb 0.67 1.21 -0.01 0.00 -0.27 0.00 0.00 36.82 38.42 1ji5 h ILE 60 CO 0.01 0.17 -0.27 0.25 -1.05 0.00 0.00 178.15 177.26 1ji5 h LEU 61 N 0.10 0.09 0.00 0.16 5.85 -0.69 0.50 115.31 121.32 1ji5 h LEU 61 Ca 0.02 -0.02 0.00 0.00 0.84 0.00 0.00 57.88 58.72 1ji5 h LEU 61 Cb 0.28 -0.02 0.00 0.00 0.37 0.00 0.00 40.66 41.28 1ji5 h LEU 61 CO 0.02 0.37 -0.13 0.00 -0.34 0.00 0.00 178.44 178.36 1ji5 h ALA 62 N 1.64 0.93 -0.59 1.25 0.00 0.58 -3.24 119.26 119.83 1ji5 h ALA 62 Ca 0.01 0.00 -0.27 0.00 0.00 0.00 0.00 54.91 54.65 1ji5 h ALA 62 Cb 0.53 0.00 -0.16 0.00 0.00 0.00 0.00 17.79 18.16 1ji5 h ALA 62 CO 0.04 0.00 0.20 0.44 0.00 0.00 0.00 179.25 179.92 1ji5 n ILE 63 N -2.64 2.78 -0.99 0.00 -5.35 -0.61 -4.93 119.36 107.62 1ji5 n ILE 63 Ca 0.04 -2.27 0.00 0.00 -0.27 0.00 0.00 62.75 60.25 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 -0.95 0.38 3.96 3.28 0.00 -1.12 -5.02 105.19 105.73 1ji5 n GLY 64 Ca 0.41 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 46.19 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 -0.27 -0.02 0.00 0.17 -5.00 107.32 101.95 1ji5 s GLY 65 Ca 0.00 -1.37 0.02 0.00 0.00 0.00 0.00 44.72 43.36 1ji5 s GLY 65 CO 0.00 -0.87 -0.03 0.54 0.00 0.00 0.00 173.10 172.75 1ji5 s LYS 66 N -5.21 1.64 0.23 2.90 3.01 -1.26 -4.25 119.74 116.79 1ji5 s LYS 66 Ca 0.64 -1.30 -0.30 0.00 -1.01 0.00 0.00 55.97 53.99 1ji5 s LYS 66 Cb -0.07 -2.75 -0.10 0.00 -1.01 0.00 0.00 37.83 33.89 1ji5 s LYS 66 CO 0.45 -0.72 1.48 -1.25 0.51 0.00 0.00 175.35 175.82 1ji5 s PRO 67 N 1.23 4.24 0.31 -1.68 0.04 -1.26 -4.97 135.00 132.91 1ji5 s PRO 67 Ca -0.01 2.34 -0.29 0.00 0.04 0.00 0.00 61.00 63.08 1ji5 s PRO 67 Cb -0.19 -3.11 -0.11 0.00 0.04 0.00 0.00 34.50 31.13 1ji5 s PRO 67 CO -0.08 -0.48 1.53 0.14 0.04 0.00 0.00 177.00 178.15 1ji5 s VAL 68 N 0.24 2.18 -0.33 -0.36 -7.23 -1.26 -4.94 120.40 108.71 1ji5 s VAL 68 Ca 0.62 0.16 0.17 0.00 -1.81 0.00 0.00 61.98 61.12 1ji5 s VAL 68 Cb -0.43 -3.10 0.45 0.00 0.56 0.00 0.00 36.38 33.86 1ji5 s VAL 68 CO 0.41 0.03 1.07 0.00 -0.31 0.00 0.00 175.10 176.30 1ji5 n ALA 69 N 1.73 2.90 -3.16 1.32 0.00 -1.26 -4.96 120.51 117.08 1ji5 n ALA 69 Ca 0.06 -2.67 -0.13 0.00 0.00 0.00 0.00 53.44 50.70 1ji5 n ALA 69 Cb 0.38 -0.94 -0.11 0.00 0.00 0.00 0.00 19.45 18.79 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 -2.49 0.01 0.42 0.00 -4.23 -1.26 -5.02 115.64 103.08 1ji5 s THR 70 Ca 0.25 -0.10 0.09 0.00 -1.18 0.00 0.00 61.69 60.76 1ji5 s THR 70 Cb 0.43 -0.41 0.22 0.00 1.34 0.00 0.00 72.50 74.08 1ji5 s THR 70 CO 0.00 -0.06 2.01 0.24 -0.54 0.00 0.00 174.62 176.27 1ji5 h MET 71 N 5.41 0.32 -0.01 3.99 2.86 -1.99 -1.90 114.93 123.62 1ji5 h MET 71 Ca -0.27 -0.04 0.03 0.00 -2.06 0.00 0.00 59.70 57.37 1ji5 h MET 71 Cb 1.19 -0.06 -0.05 0.00 0.06 0.00 0.00 31.60 32.74 1ji5 h MET 71 CO 0.35 0.31 -0.33 -0.22 1.06 0.00 0.00 176.91 178.08 1ji5 h LYS 72 N 0.32 -0.46 -0.31 1.72 3.64 -2.00 0.03 116.57 119.52 1ji5 h LYS 72 Ca 0.08 0.03 -0.01 0.00 -1.27 0.00 0.00 60.65 59.48 1ji5 h LYS 72 Cb 0.14 0.10 -0.01 0.00 -0.41 0.00 0.00 32.23 32.05 1ji5 h LYS 72 CO -0.00 -0.31 0.15 0.93 -2.27 0.00 0.00 179.45 177.95 1ji5 h GLU 73 N -0.48 0.44 -0.63 1.90 5.08 -1.88 -2.55 114.58 116.46 1ji5 h GLU 73 Ca 0.06 -0.06 0.12 0.00 -1.00 0.00 0.00 59.36 58.48 1ji5 h GLU 73 Cb 0.57 -0.08 -0.12 0.00 0.50 0.00 0.00 28.75 29.62 1ji5 h GLU 73 CO -0.28 0.41 -0.21 1.88 -1.00 0.00 0.00 179.01 179.81 1ji5 h TYR 74 N 0.37 -0.50 -0.70 4.33 0.99 -0.81 0.03 116.97 120.67 1ji5 h TYR 74 Ca 0.11 0.06 0.03 0.00 2.00 0.00 0.00 58.73 60.93 1ji5 h TYR 74 Cb 0.11 0.32 -0.04 0.00 1.00 0.00 0.00 36.73 38.11 1ji5 h TYR 74 CO -0.02 -0.31 0.44 -0.07 -0.00 0.00 0.00 178.16 178.20 1ji5 h LEU 75 N -0.05 0.73 0.00 3.88 4.07 -0.75 0.46 115.31 123.64 1ji5 h LEU 75 Ca 0.29 -0.00 0.00 0.00 0.08 0.00 0.00 57.88 58.25 1ji5 h LEU 75 Cb 0.50 -0.16 0.00 0.00 1.08 0.00 0.00 40.66 42.08 1ji5 h LEU 75 CO -0.67 0.51 0.00 -1.84 -1.08 0.00 0.00 178.44 175.35 1ji5 n GLU 76 N -4.66 0.52 0.00 1.13 0.28 -0.13 -4.08 120.64 113.70 1ji5 n GLU 76 Ca 0.07 0.01 0.00 0.00 -0.16 0.00 0.00 57.16 57.09 1ji5 n GLU 76 Cb 0.08 -1.50 0.00 0.00 1.43 0.00 0.00 31.44 31.45 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 -1.23 0.00 -1.87 3.84 3.06 -0.44 -5.05 119.36 117.66 1ji5 n ILE 77 Ca 0.16 0.00 -0.37 0.00 -2.50 0.00 0.00 62.75 60.03 1ji5 n ILE 77 Cb 0.20 -0.89 0.04 0.00 0.54 0.00 0.00 39.64 39.54 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 -2.85 5.14 0.00 9.51 0.15 0.15 -4.92 113.70 120.88 1ji5 s SER 78 Ca 0.00 2.59 0.16 0.00 0.70 0.00 0.00 55.95 59.40 1ji5 s SER 78 Cb 0.00 -2.62 0.25 0.00 -1.71 0.00 0.00 66.02 61.94 1ji5 s SER 78 CO 0.00 -1.64 1.15 -1.54 1.20 0.00 0.00 173.24 172.41 1ji5 n SER 79 N -1.37 2.73 -4.74 5.45 3.41 -1.26 -4.95 113.62 112.89 1ji5 n SER 79 Ca 0.12 -1.80 -0.40 0.00 -0.26 0.00 0.00 58.87 56.53 1ji5 n SER 79 Cb 0.47 -0.13 -0.05 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 -1.19 4.71 0.00 -1.33 -1.09 -1.26 -5.02 121.20 116.01 1ji5 s ILE 80 Ca 0.24 1.77 0.00 0.00 -2.23 0.00 0.00 60.65 60.43 1ji5 s ILE 80 Cb 0.15 -4.18 0.00 0.00 -1.58 0.00 0.00 42.46 36.85 1ji5 s ILE 80 CO 0.21 0.33 0.72 1.67 -1.23 0.00 0.00 174.94 176.63 1ji5 n GLN 81 N 2.97 0.00 0.00 2.79 -0.06 -1.26 -5.03 117.38 116.79 1ji5 n GLN 81 Ca -0.00 0.43 0.00 0.00 -2.00 0.00 0.00 57.00 55.43 1ji5 n GLN 81 Cb 0.50 -1.22 0.00 0.00 -4.06 0.00 0.00 30.24 25.46 1ji5 n GLN 81 CO 0.00 0.00 0.00 -1.91 -0.20 0.00 0.00 177.06 174.95 1ji5 n GLU 82 N -1.46 0.00 0.00 3.69 2.13 -1.26 -5.03 120.64 118.72 1ji5 n GLU 82 Ca 0.00 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.82 1ji5 n GLU 82 Cb 0.00 0.00 0.00 0.00 0.27 0.00 0.00 31.44 31.71 1ji5 n GLU 82 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1ji5 n ALA 83 N 0.18 0.00 -2.36 4.31 0.00 -1.26 -4.94 120.51 116.44 1ji5 n ALA 83 Ca 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 53.44 53.40 1ji5 n ALA 83 Cb 0.00 0.00 0.01 0.00 0.00 0.00 0.00 19.45 19.46 1ji5 n ALA 83 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1ji5 n ALA 84 N 7.11 -3.05 -0.91 0.00 0.00 -1.26 -5.02 120.51 117.37 1ji5 n ALA 84 Ca 0.00 0.71 0.00 0.00 0.00 0.00 0.00 53.44 54.15 1ji5 n ALA 84 Cb 0.00 -2.23 0.00 0.00 0.00 0.00 0.00 19.45 17.22 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 -0.27 0.00 0.00 0.00 4.02 -1.26 -4.15 117.16 115.50 1ji5 n TYR 85 Ca 0.07 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.96 1ji5 n TYR 85 Cb 0.26 -0.04 0.00 0.00 -0.02 0.00 0.00 39.34 39.53 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 0.65 0.26 3.78 2.72 0.00 -1.26 -4.86 105.19 106.48 1ji5 n GLY 86 Ca 0.00 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.66 1ji5 n GLY 86 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1ji5 s GLU 87 N 1.26 4.00 0.72 1.61 2.02 -1.26 -5.06 118.70 121.99 1ji5 s GLU 87 Ca 0.00 1.53 -0.11 0.00 0.02 0.00 0.00 54.97 56.40 1ji5 s GLU 87 Cb 0.00 -2.41 0.02 0.00 0.10 0.00 0.00 34.13 31.85 1ji5 s GLU 87 CO 0.00 -0.29 1.09 0.99 0.02 0.00 0.00 175.26 177.07 1ji5 s THR 88 N -1.71 3.53 0.08 3.63 2.01 -1.26 -4.82 115.64 117.10 1ji5 s THR 88 Ca 0.61 0.50 -0.23 0.00 0.31 0.00 0.00 61.69 62.88 1ji5 s THR 88 Cb -0.22 -3.41 -0.15 0.00 0.01 0.00 0.00 72.50 68.73 1ji5 s THR 88 CO 0.27 -0.65 1.70 0.00 -0.69 0.00 0.00 174.62 175.25 1ji5 h ALA 89 N -0.74 0.03 -0.61 7.40 0.00 -1.95 0.44 119.26 123.83 1ji5 h ALA 89 Ca -0.45 -0.02 -0.09 0.00 0.00 0.00 0.00 54.91 54.35 1ji5 h ALA 89 Cb 1.25 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 19.01 1ji5 h ALA 89 CO 0.62 -0.45 0.04 0.93 0.00 0.00 0.00 179.25 180.39 1ji5 h GLU 90 N -0.02 1.03 -0.57 0.00 4.39 -1.93 -2.15 114.58 115.33 1ji5 h GLU 90 Ca 0.01 -0.30 0.07 0.00 0.34 0.00 0.00 59.36 59.49 1ji5 h GLU 90 Cb 0.04 -0.11 -0.06 0.00 -0.10 0.00 0.00 28.75 28.52 1ji5 h GLU 90 CO -0.00 0.98 0.25 0.78 -1.16 0.00 0.00 179.01 179.85 1ji5 h GLY 91 N 1.01 0.80 0.95 -3.84 0.00 -1.70 0.22 103.07 100.52 1ji5 h GLY 91 Ca 0.18 -0.15 -0.01 0.00 0.00 0.00 0.00 47.33 47.35 1ji5 h GLY 91 CO 0.02 0.04 0.16 -0.33 0.00 0.00 0.00 176.54 176.43 1ji5 h MET 92 N 0.46 0.45 -0.37 4.80 2.86 0.27 0.58 114.93 123.97 1ji5 h MET 92 Ca 0.27 -0.06 -0.00 0.00 -2.06 0.00 0.00 59.70 57.85 1ji5 h MET 92 Cb 0.28 -0.08 -0.02 0.00 0.06 0.00 0.00 31.60 31.83 1ji5 h MET 92 CO -0.24 0.40 0.22 0.28 1.06 0.00 0.00 176.91 178.62 1ji5 h VAL 93 N 0.38 1.13 -0.69 -2.22 2.07 -0.85 -1.47 116.25 114.60 1ji5 h VAL 93 Ca 0.11 -0.32 0.00 0.00 0.82 0.00 0.00 66.70 67.31 1ji5 h VAL 93 Cb 0.09 0.67 -0.03 0.00 -1.52 0.00 0.00 31.29 30.50 1ji5 h VAL 93 CO -0.02 0.13 0.44 -0.08 0.02 0.00 0.00 177.57 178.06 1ji5 h GLU 94 N 0.48 0.93 0.54 1.57 4.81 -0.34 -1.92 114.58 120.65 1ji5 h GLU 94 Ca 0.13 -0.07 -0.02 0.00 -0.13 0.00 0.00 59.36 59.27 1ji5 h GLU 94 Cb 0.03 -0.20 -0.00 0.00 0.63 0.00 0.00 28.75 29.20 1ji5 h GLU 94 CO -0.02 0.64 -0.30 0.00 -0.73 0.00 0.00 179.01 178.60 1ji5 h ALA 95 N 1.23 -0.79 0.00 2.92 0.00 0.93 -2.15 119.26 121.40 1ji5 h ALA 95 Ca 0.25 -0.16 -0.07 0.00 0.00 0.00 0.00 54.91 54.93 1ji5 h ALA 95 Cb -0.06 0.36 -0.01 0.00 0.00 0.00 0.00 17.79 18.08 1ji5 h ALA 95 CO -0.05 -0.95 -0.33 -0.84 0.00 0.00 0.00 179.25 177.07 1ji5 h ILE 96 N -0.79 0.70 -0.52 0.00 -2.65 -1.33 -2.22 117.51 110.70 1ji5 h ILE 96 Ca -0.07 -1.55 -0.01 0.00 1.03 0.00 0.00 64.86 64.27 1ji5 h ILE 96 Cb 0.63 2.02 -0.02 0.00 -2.05 0.00 0.00 36.82 37.39 1ji5 h ILE 96 CO 0.09 0.33 0.29 -0.03 0.03 0.00 0.00 178.15 178.86 1ji5 h MET 97 N 0.00 0.72 -0.60 0.16 4.05 -1.24 0.22 114.93 118.25 1ji5 h MET 97 Ca -0.00 -0.08 -0.06 0.00 -0.28 0.00 0.00 59.70 59.28 1ji5 h MET 97 Cb 0.99 -0.14 -0.02 0.00 -0.80 0.00 0.00 31.60 31.62 1ji5 h MET 97 CO 0.04 0.55 0.14 0.87 0.23 0.00 0.00 176.91 178.75 1ji5 h LYS 98 N 0.70 0.97 -0.67 0.39 1.57 -1.20 -1.96 116.57 116.37 1ji5 h LYS 98 Ca 0.18 -0.24 0.05 0.00 -1.87 0.00 0.00 60.65 58.77 1ji5 h LYS 98 Cb 0.03 -0.13 -0.05 0.00 0.08 0.00 0.00 32.23 32.17 1ji5 h LYS 98 CO -0.03 0.89 0.39 -0.44 -0.57 0.00 0.00 179.45 179.69 1ji5 h ASP 99 N 0.88 0.61 -0.23 0.86 3.45 -0.76 0.11 116.42 121.33 1ji5 h ASP 99 Ca 0.19 0.02 -0.01 0.00 0.43 0.00 0.00 57.03 57.65 1ji5 h ASP 99 Cb 0.36 -0.11 -0.01 0.00 -0.56 0.00 0.00 39.33 39.01 1ji5 h ASP 99 CO 0.00 0.41 0.10 1.88 -1.57 0.00 0.00 179.24 180.06 1ji5 h TYR 100 N 0.74 0.35 -0.76 4.55 0.99 -0.34 -2.17 116.97 120.33 1ji5 h TYR 100 Ca 0.29 -0.02 -0.01 0.00 2.00 0.00 0.00 58.73 60.98 1ji5 h TYR 100 Cb 0.12 -0.10 -0.04 0.00 1.00 0.00 0.00 36.73 37.71 1ji5 h TYR 100 CO -0.06 0.36 0.43 0.93 -0.00 0.00 0.00 178.16 179.82 1ji5 h GLU 101 N 0.23 1.05 0.00 4.88 5.08 -0.75 0.02 114.58 125.08 1ji5 h GLU 101 Ca 0.08 -0.11 0.00 0.00 -1.00 0.00 0.00 59.36 58.33 1ji5 h GLU 101 Cb 0.16 -0.21 0.00 0.00 0.50 0.00 0.00 28.75 29.20 1ji5 h GLU 101 CO -0.01 0.76 0.00 0.52 -1.00 0.00 0.00 179.01 179.29 1ji5 h MET 102 N 1.04 0.00 0.00 2.33 2.86 -0.67 -1.77 114.93 118.72 1ji5 h MET 102 Ca 0.27 0.00 -0.19 0.00 -2.06 0.00 0.00 59.70 57.72 1ji5 h MET 102 Cb 0.01 0.00 -0.03 0.00 0.06 0.00 0.00 31.60 31.64 1ji5 h MET 102 CO -0.05 0.00 -1.27 1.98 1.06 0.00 0.00 176.91 178.63 1ji5 h MET 103 N 0.00 0.00 -0.46 1.72 4.05 -0.39 -3.28 114.93 116.58 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 -0.02 0.00 -0.80 0.00 0.00 31.60 31.09 1ji5 h MET 103 CO 0.00 0.44 0.30 -0.07 0.23 0.00 0.00 176.91 177.81 1ji5 h LEU 104 N 0.00 0.51 -0.08 3.39 3.38 -0.26 -0.53 115.31 121.72 1ji5 h LEU 104 Ca -0.14 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.82 1ji5 h LEU 104 Cb 1.65 -0.12 -0.00 0.00 0.09 0.00 0.00 40.66 42.28 1ji5 h LEU 104 CO 0.06 0.37 0.04 -0.37 0.09 0.00 0.00 178.44 178.64 1ji5 h VAL 105 N 0.61 1.01 0.00 1.22 -1.51 -1.65 -0.32 116.25 115.60 1ji5 h VAL 105 Ca 0.17 -0.03 -0.00 0.00 -1.23 0.00 0.00 66.70 65.61 1ji5 h VAL 105 Cb -0.05 0.91 -0.00 0.00 -2.13 0.00 0.00 31.29 30.01 1ji5 h VAL 105 CO -0.05 0.02 -0.00 -0.33 -1.23 0.00 0.00 177.57 175.98 1ji5 h GLU 106 N 0.09 0.00 -0.02 5.19 5.08 -1.55 -1.62 114.58 121.76 1ji5 h GLU 106 Ca 0.03 0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 58.36 1ji5 h GLU 106 Cb -0.00 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.25 1ji5 h GLU 106 CO -0.01 0.00 -0.09 -0.07 -1.00 0.00 0.00 179.01 177.84 1ji5 h LEU 107 N 0.00 0.11 -0.39 1.33 3.38 -0.16 -0.33 115.31 119.25 1ji5 h LEU 107 Ca -0.00 -0.67 0.08 0.00 0.09 0.00 0.00 57.88 57.37 1ji5 h LEU 107 Cb 0.01 -0.03 -0.07 0.00 0.09 0.00 0.00 40.66 40.66 1ji5 h LEU 107 CO 0.00 0.76 -0.05 0.11 0.09 0.00 0.00 178.44 179.35 1ji5 h LYS 108 N -0.54 0.05 -0.57 1.13 1.57 -0.53 0.25 116.57 117.93 1ji5 h LYS 108 Ca -0.01 -0.00 0.06 0.00 -1.87 0.00 0.00 60.65 58.83 1ji5 h LYS 108 Cb 0.76 -0.01 -0.05 0.00 0.08 0.00 0.00 32.23 33.00 1ji5 h LYS 108 CO 0.02 0.03 0.27 0.87 -0.57 0.00 0.00 179.45 180.07 1ji5 h LYS 109 N 0.05 0.49 -0.63 3.15 1.57 -1.33 -1.30 116.57 118.57 1ji5 h LYS 109 Ca 0.19 -0.03 0.04 0.00 -1.87 0.00 0.00 60.65 58.98 1ji5 h LYS 109 Cb 0.28 -0.11 -0.04 0.00 0.08 0.00 0.00 32.23 32.44 1ji5 h LYS 109 CO -0.36 0.33 0.41 0.78 -0.57 0.00 0.00 179.45 180.04 1ji5 h GLY 110 N 0.51 0.82 1.82 3.86 0.00 0.12 -1.56 103.07 108.62 1ji5 h GLY 110 Ca 0.26 -0.27 -0.18 0.00 0.00 0.00 0.00 47.33 47.14 1ji5 h GLY 110 CO -0.21 0.23 -0.80 -0.33 0.00 0.00 0.00 176.54 175.43 1ji5 h MET 111 N 0.69 0.17 0.50 4.80 2.86 0.21 -2.04 114.93 122.12 1ji5 h MET 111 Ca 0.26 -0.17 -0.02 0.00 -2.06 0.00 0.00 59.70 57.71 1ji5 h MET 111 Cb 0.15 0.04 -0.01 0.00 0.06 0.00 0.00 31.60 31.85 1ji5 h MET 111 CO -0.07 0.88 -0.36 0.93 1.06 0.00 0.00 176.91 179.35 1ji5 h GLU 112 N 0.10 -0.79 -0.55 1.72 4.39 -0.28 0.04 114.58 119.21 1ji5 h GLU 112 Ca -0.03 0.05 0.01 0.00 0.34 0.00 0.00 59.36 59.73 1ji5 h GLU 112 Cb 1.40 0.18 -0.03 0.00 -0.10 0.00 0.00 28.75 30.20 1ji5 h GLU 112 CO 0.12 -0.53 0.36 0.97 -1.16 0.00 0.00 179.01 178.78 1ji5 h ILE 113 N -0.82 1.13 -0.28 3.13 -0.00 -1.50 0.89 117.51 120.05 1ji5 h ILE 113 Ca -0.07 -0.25 -0.01 0.00 -0.00 0.00 0.00 64.86 64.53 1ji5 h ILE 113 Cb 0.68 0.34 -0.01 0.00 -0.00 0.00 0.00 36.82 37.82 1ji5 h ILE 113 CO 0.03 0.13 0.13 0.00 -0.00 0.00 0.00 178.15 178.44 1ji5 h ALA 114 N 1.66 0.36 -0.66 0.18 0.00 -1.19 0.12 119.26 119.74 1ji5 h ALA 114 Ca 0.20 -0.10 -0.07 0.00 0.00 0.00 0.00 54.91 54.94 1ji5 h ALA 114 Cb -0.07 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 17.59 1ji5 h ALA 114 CO -0.05 -0.06 0.13 1.96 0.00 0.00 0.00 179.25 181.23 1ji5 h GLN 115 N 0.32 1.07 -0.01 0.00 4.20 -0.33 0.18 115.11 120.55 1ji5 h GLN 115 Ca 0.10 -0.28 -0.06 0.00 0.06 0.00 0.00 58.65 58.47 1ji5 h GLN 115 Cb 0.14 -0.13 -0.01 0.00 0.30 0.00 0.00 27.48 27.78 1ji5 h GLN 115 CO -0.01 0.98 -0.27 -0.91 -0.67 0.00 0.00 178.83 177.95 1ji5 h ASN 116 N 1.00 0.01 -0.35 1.46 -0.26 -0.49 -1.22 115.58 115.72 1ji5 h ASN 116 Ca 0.20 -0.00 0.00 0.00 -0.56 0.00 0.00 56.30 55.94 1ji5 h ASN 116 Cb 0.41 -0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.67 1ji5 h ASN 116 CO 0.01 0.28 0.00 -1.20 -1.06 0.00 0.00 177.43 175.46 1ji5 n SER 117 N -4.21 3.74 -3.58 5.81 7.64 0.38 -4.91 113.62 118.49 1ji5 n SER 117 Ca -0.02 -2.52 -0.26 0.00 1.01 0.00 0.00 58.87 57.08 1ji5 n SER 117 Cb 0.32 -0.59 0.05 0.00 -1.01 0.00 0.00 64.21 62.98 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 0.41 -5.01 -3.07 6.43 2.03 -0.46 -4.97 116.55 111.91 1ji5 n ASP 118 Ca 0.17 -0.92 -0.19 0.00 0.52 0.00 0.00 54.79 54.37 1ji5 n ASP 118 Cb 0.79 -3.92 -0.03 0.00 -0.72 0.00 0.00 41.12 37.23 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 -2.87 -0.53 0.06 1.67 2.03 0.61 -4.93 116.55 112.59 1ji5 n ASP 119 Ca -0.12 -2.91 0.10 0.00 0.52 0.00 0.00 54.79 52.38 1ji5 n ASP 119 Cb 0.61 0.02 0.41 0.00 -0.72 0.00 0.00 41.12 41.44 1ji5 n ASP 119 CO 0.00 0.00 0.00 -1.84 -1.92 0.00 0.00 177.20 173.44 1ji5 n GLU 120 N 1.27 0.09 0.44 -0.67 0.28 -1.26 -2.50 120.64 118.29 1ji5 n GLU 120 Ca 0.18 0.30 -0.17 0.00 -0.16 0.00 0.00 57.16 57.31 1ji5 n GLU 120 Cb 0.58 -1.67 -0.08 0.00 1.43 0.00 0.00 31.44 31.70 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 -1.08 -0.77 3.44 2.86 -1.93 0.51 114.93 117.97 1ji5 h MET 121 Ca 0.00 0.07 0.09 0.00 -2.06 0.00 0.00 59.70 57.80 1ji5 h MET 121 Cb 0.34 0.24 -0.05 0.00 0.06 0.00 0.00 31.60 32.19 1ji5 h MET 121 CO 0.00 -0.72 0.50 1.15 1.06 0.00 0.00 176.91 178.90 1ji5 h THR 122 N -1.15 0.97 -0.42 2.22 2.02 -1.91 -0.37 112.91 114.26 1ji5 h THR 122 Ca -0.11 -0.25 0.01 0.00 0.77 0.00 0.00 66.41 66.83 1ji5 h THR 122 Cb 0.86 0.18 -0.03 0.00 -1.74 0.00 0.00 68.15 67.42 1ji5 h THR 122 CO 0.19 0.13 0.26 -1.28 0.37 0.00 0.00 175.52 175.19 1ji5 h SER 123 N 0.72 0.42 -0.64 4.18 0.87 -1.13 -0.55 113.55 117.43 1ji5 h SER 123 Ca 0.35 -0.00 0.02 0.00 -1.23 0.00 0.00 61.79 60.93 1ji5 h SER 123 Cb 0.40 -0.09 -0.04 0.00 -0.44 0.00 0.00 62.40 62.23 1ji5 h SER 123 CO -0.13 0.30 0.40 -0.78 -0.53 0.00 0.00 176.83 176.10 1ji5 h ASP 124 N 0.52 0.67 -0.14 6.23 3.58 0.17 0.42 116.42 127.87 1ji5 h ASP 124 Ca 0.16 -0.00 0.03 0.00 0.42 0.00 0.00 57.03 57.64 1ji5 h ASP 124 Cb -0.01 -0.15 -0.03 0.00 1.72 0.00 0.00 39.33 40.86 1ji5 h ASP 124 CO -0.07 0.47 -0.05 0.25 -2.88 0.00 0.00 179.24 176.97 1ji5 h LEU 125 N 0.80 -0.16 -0.92 2.28 5.85 -0.71 -1.79 115.31 120.67 1ji5 h LEU 125 Ca 0.25 0.05 -0.03 0.00 0.84 0.00 0.00 57.88 58.99 1ji5 h LEU 125 Cb -0.01 0.10 -0.04 0.00 0.37 0.00 0.00 40.66 41.08 1ji5 h LEU 125 CO -0.09 -0.06 0.40 -0.07 -0.34 0.00 0.00 178.44 178.28 1ji5 h LEU 126 N -0.02 1.07 -0.90 2.25 4.07 -0.50 -2.42 115.31 118.85 1ji5 h LEU 126 Ca 0.07 -0.12 0.10 0.00 0.08 0.00 0.00 57.88 58.00 1ji5 h LEU 126 Cb 0.12 -0.27 -0.07 0.00 1.08 0.00 0.00 40.66 41.52 1ji5 h LEU 126 CO -0.15 0.89 0.55 0.25 -1.08 0.00 0.00 178.44 178.90 1ji5 h LEU 127 N 1.17 0.81 0.00 1.67 5.85 0.50 -1.61 115.31 123.70 1ji5 h LEU 127 Ca 0.28 0.04 0.01 0.00 0.84 0.00 0.00 57.88 59.05 1ji5 h LEU 127 Cb 0.11 -0.12 -0.01 0.00 0.37 0.00 0.00 40.66 41.00 1ji5 h LEU 127 CO -0.04 0.46 -0.06 1.23 -0.34 0.00 0.00 178.44 179.70 1ji5 h GLY 128 N 0.91 -0.07 0.73 3.75 0.00 -0.83 -1.19 103.07 106.37 1ji5 h GLY 128 Ca 0.43 0.07 0.07 0.00 0.00 0.00 0.00 47.33 47.90 1ji5 h GLY 128 CO -0.24 -0.07 0.65 -2.22 0.00 0.00 0.00 176.54 174.66 1ji5 h ILE 129 N -0.11 1.08 0.12 2.60 2.04 -1.34 -0.49 117.51 121.40 1ji5 h ILE 129 Ca 0.02 -0.40 0.01 0.00 1.00 0.00 0.00 64.86 65.50 1ji5 h ILE 129 Cb 0.14 -0.19 -0.02 0.00 -0.74 0.00 0.00 36.82 36.01 1ji5 h ILE 129 CO -0.06 0.21 -0.18 0.22 0.00 0.00 0.00 178.15 178.34 1ji5 h TYR 130 N 1.17 -0.48 -0.47 1.37 3.20 -0.72 0.75 116.97 121.78 1ji5 h TYR 130 Ca 0.44 0.01 0.05 0.00 3.14 0.00 0.00 58.73 62.36 1ji5 h TYR 130 Cb 0.19 0.20 -0.04 0.00 1.54 0.00 0.00 36.73 38.61 1ji5 h TYR 130 CO -0.00 -0.27 0.22 1.15 -1.64 0.00 0.00 178.16 177.62 1ji5 h THR 131 N -0.36 0.93 0.29 1.81 2.02 -0.54 -0.91 112.91 116.15 1ji5 h THR 131 Ca 0.02 -0.15 0.00 0.00 0.77 0.00 0.00 66.41 67.06 1ji5 h THR 131 Cb 0.37 0.46 -0.03 0.00 -1.74 0.00 0.00 68.15 67.22 1ji5 h THR 131 CO -0.09 0.08 -0.34 -0.08 0.37 0.00 0.00 175.52 175.45 1ji5 h GLU 132 N 0.43 -0.65 -0.81 6.66 4.81 -0.50 -2.76 114.58 121.75 1ji5 h GLU 132 Ca 0.21 0.04 0.00 0.00 -0.13 0.00 0.00 59.36 59.49 1ji5 h GLU 132 Cb 0.15 0.15 -0.04 0.00 0.63 0.00 0.00 28.75 29.64 1ji5 h GLU 132 CO -0.17 -0.43 0.51 -0.07 -0.73 0.00 0.00 179.01 178.12 1ji5 h LEU 133 N -0.68 0.96 -1.09 1.64 3.38 -0.68 -2.61 115.31 116.24 1ji5 h LEU 133 Ca -0.01 -0.05 0.12 0.00 0.09 0.00 0.00 57.88 58.04 1ji5 h LEU 133 Cb 0.63 -0.24 -0.08 0.00 0.09 0.00 0.00 40.66 41.06 1ji5 h LEU 133 CO -0.10 0.72 0.62 -0.33 0.09 0.00 0.00 178.44 179.44 1ji5 h GLU 134 N 1.11 0.90 -0.04 1.13 5.08 -0.94 0.19 114.58 122.01 1ji5 h GLU 134 Ca 0.30 -0.05 -0.01 0.00 -1.00 0.00 0.00 59.36 58.59 1ji5 h GLU 134 Cb -0.08 -0.20 -0.00 0.00 0.50 0.00 0.00 28.75 28.96 1ji5 h GLU 134 CO -0.06 0.59 -0.01 -0.22 -1.00 0.00 0.00 179.01 178.32 1ji5 h LYS 135 N 0.93 0.07 -0.17 2.33 3.64 -1.21 -2.66 116.57 119.50 1ji5 h LYS 135 Ca 0.48 -0.03 0.05 0.00 -1.27 0.00 0.00 60.65 59.88 1ji5 h LYS 135 Cb 0.52 -0.00 -0.05 0.00 -0.41 0.00 0.00 32.23 32.29 1ji5 h LYS 135 CO -0.24 0.42 -0.16 0.45 -2.27 0.00 0.00 179.45 177.65 1ji5 h HIS 136 N -0.29 -0.40 -0.84 1.91 3.86 -0.93 -1.37 115.15 117.09 1ji5 h HIS 136 Ca 0.01 0.03 0.19 0.00 -1.16 0.00 0.00 60.37 59.43 1ji5 h HIS 136 Cb 0.40 0.20 -0.12 0.00 1.06 0.00 0.00 27.41 28.96 1ji5 h HIS 136 CO 0.06 -0.23 0.33 0.00 0.86 0.00 0.00 177.93 178.95 1ji5 h ALA 137 N 0.92 1.26 0.08 2.45 0.00 -0.63 0.61 119.26 123.95 1ji5 h ALA 137 Ca 0.11 0.15 -0.00 0.00 0.00 0.00 0.00 54.91 55.17 1ji5 h ALA 137 Cb 0.34 0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.28 1ji5 h ALA 137 CO -0.28 -0.30 -0.04 2.35 0.00 0.00 0.00 179.25 180.98 1ji5 h TRP 138 N 0.39 -0.10 -0.42 0.00 7.01 -0.91 0.32 115.95 122.24 1ji5 h TRP 138 Ca 0.50 -0.00 -0.04 0.00 2.11 0.00 0.00 58.89 61.46 1ji5 h TRP 138 Cb 0.89 0.03 -0.02 0.00 -2.10 0.00 0.00 29.16 27.97 1ji5 h TRP 138 CO -0.17 0.03 0.12 0.52 -2.79 0.00 0.00 178.44 176.15 1ji5 h MET 139 N -0.22 0.66 -0.06 2.65 0.00 -0.30 0.35 114.93 118.01 1ji5 h MET 139 Ca -0.01 -0.15 0.01 0.00 0.00 0.00 0.00 59.70 59.54 1ji5 h MET 139 Cb 0.18 -0.09 -0.01 0.00 0.00 0.00 0.00 31.60 31.68 1ji5 h MET 139 CO 0.02 0.66 0.02 -0.07 0.00 0.00 0.00 176.91 177.54 1ji5 h LEU 140 N 0.54 0.02 -0.17 1.22 4.07 0.23 -0.73 115.31 120.50 1ji5 h LEU 140 Ca 0.13 0.01 0.03 0.00 0.08 0.00 0.00 57.88 58.13 1ji5 h LEU 140 Cb 0.28 0.00 -0.03 0.00 1.08 0.00 0.00 40.66 42.00 1ji5 h LEU 140 CO -0.00 0.02 -0.00 -0.09 -1.08 0.00 0.00 178.44 177.29 1ji5 h ARG 141 N 0.05 0.05 -0.00 1.13 2.43 -0.06 -1.55 114.38 116.43 1ji5 h ARG 141 Ca 0.03 -0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.19 1ji5 h ARG 141 Cb 0.01 -0.01 -0.00 0.00 -0.42 0.00 0.00 29.97 29.55 1ji5 h ARG 141 CO -0.03 0.03 0.00 0.00 -1.51 0.00 0.00 179.97 178.47 1ji5 h ALA 142 N 1.15 1.79 -0.62 2.80 0.00 -0.08 0.10 119.26 124.39 1ji5 h ALA 142 Ca 0.08 -0.00 -0.09 0.00 0.00 0.00 0.00 54.91 54.90 1ji5 h ALA 142 Cb 0.10 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 17.87 1ji5 h ALA 142 CO -0.14 -0.01 0.05 0.35 0.00 0.00 0.00 179.25 179.50 1ji5 h PHE 143 N 0.00 1.14 0.00 0.00 3.57 -0.11 -3.37 116.94 118.16 1ji5 h PHE 143 Ca 0.00 -0.18 0.00 0.00 3.53 0.00 0.00 57.97 61.33 1ji5 h PHE 143 Cb 0.01 -0.31 0.00 0.00 2.79 0.00 0.00 35.95 38.44 1ji5 h PHE 143 CO 0.00 0.98 0.00 1.28 -2.23 0.00 0.00 178.31 178.34 1ji5 n LEU 144 N -4.19 2.31 0.00 0.59 7.99 -0.17 -5.11 117.00 118.42 1ji5 n LEU 144 Ca 0.04 0.00 0.00 0.00 -0.01 0.00 0.00 56.01 56.04 1ji5 n LEU 144 Cb 0.32 0.00 0.00 0.00 -0.11 0.00 0.00 43.42 43.63 1ji5 n LEU 144 CO 0.43 0.00 0.00 0.59 -1.51 0.00 0.00 177.39 176.90