#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1jx6 s TYR 28 N 0.00 1.76 0.15 1.61 1.51 -1.26 -1.88 117.35 119.23 1jx6 s TYR 28 Ca 0.00 -0.45 -0.22 0.00 -1.01 0.00 0.00 57.07 55.40 1jx6 s TYR 28 Cb 0.00 -0.93 -0.08 0.00 -0.11 0.00 0.00 41.96 40.84 1jx6 s TYR 28 CO 0.00 0.24 0.69 -1.58 -1.11 0.00 0.00 175.55 173.80 1jx6 s TRP 29 N -1.55 3.80 0.69 2.71 0.52 0.11 -4.89 118.94 120.34 1jx6 s TRP 29 Ca 0.10 1.45 -0.13 0.00 0.02 0.00 0.00 56.10 57.54 1jx6 s TRP 29 Cb -0.08 -2.64 0.01 0.00 -1.15 0.00 0.00 33.47 29.61 1jx6 s TRP 29 CO 0.05 0.49 1.08 0.20 0.02 0.00 0.00 176.95 178.79 1jx6 s GLY 30 N -1.28 1.86 0.06 0.98 0.00 -1.26 -3.89 107.32 103.79 1jx6 s GLY 30 Ca 0.36 0.29 -0.31 0.00 0.00 0.00 0.00 44.72 45.06 1jx6 s GLY 30 CO 0.23 0.62 1.58 -1.82 0.00 0.00 0.00 173.10 173.70 1jx6 h TYR 31 N -0.45 -0.70 -0.15 1.90 5.03 -1.97 0.48 116.97 121.10 1jx6 h TYR 31 Ca -0.45 -0.02 -0.11 0.00 2.58 0.00 0.00 58.73 60.73 1jx6 h TYR 31 Cb 1.22 0.23 -0.01 0.00 1.55 0.00 0.00 36.73 39.73 1jx6 h TYR 31 CO 0.59 -0.42 -0.40 1.96 -1.32 0.00 0.00 178.16 178.57 1jx6 h GLN 32 N -0.81 0.33 -0.81 1.82 1.08 -1.92 -2.32 115.11 112.47 1jx6 h GLN 32 Ca -0.08 -0.16 0.01 0.00 -1.45 0.00 0.00 58.65 56.98 1jx6 h GLN 32 Cb 0.60 -0.00 -0.04 0.00 -0.05 0.00 0.00 27.48 27.99 1jx6 h GLN 32 CO 0.13 0.68 0.54 1.49 -0.95 0.00 0.00 178.83 180.71 1jx6 h GLU 33 N 0.28 1.05 -0.19 1.46 4.81 -1.89 0.54 114.58 120.63 1jx6 h GLU 33 Ca 0.03 -0.06 -0.03 0.00 -0.13 0.00 0.00 59.36 59.16 1jx6 h GLU 33 Cb 0.82 -0.24 -0.01 0.00 0.63 0.00 0.00 28.75 29.96 1jx6 h GLU 33 CO 0.07 0.70 0.01 0.35 -0.73 0.00 0.00 179.01 179.40 1jx6 h PHE 34 N 1.08 0.36 0.00 0.92 3.57 -0.68 -1.43 116.94 120.77 1jx6 h PHE 34 Ca 0.30 -0.06 -0.05 0.00 3.53 0.00 0.00 57.97 61.69 1jx6 h PHE 34 Cb -0.10 -0.10 -0.01 0.00 2.79 0.00 0.00 35.95 38.54 1jx6 h PHE 34 CO -0.02 0.52 -0.25 -0.07 -2.23 0.00 0.00 178.31 176.27 1jx6 h LEU 35 N 0.10 0.00 0.06 0.59 3.38 -1.05 -1.57 115.31 116.81 1jx6 h LEU 35 Ca 0.06 0.00 -0.25 0.00 0.09 0.00 0.00 57.88 57.78 1jx6 h LEU 35 Cb 0.37 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.11 1jx6 h LEU 35 CO 0.01 0.25 -1.18 0.44 0.09 0.00 0.00 178.44 178.04 1jx6 h ASP 36 N 0.00 0.19 -0.05 -0.43 3.32 -0.79 -3.29 116.42 115.37 1jx6 h ASP 36 Ca -0.00 -0.22 -0.13 0.00 0.02 0.00 0.00 57.03 56.70 1jx6 h ASP 36 Cb 0.49 -0.06 -0.01 0.00 0.22 0.00 0.00 39.33 39.97 1jx6 h ASP 36 CO 0.03 1.18 -0.38 -0.08 -1.72 0.00 0.00 179.24 178.27 1jx6 h GLU 37 N 0.03 0.56 -3.21 3.56 4.57 -0.84 -3.37 114.58 115.89 1jx6 h GLU 37 Ca -0.10 -0.28 -0.63 0.00 -1.18 0.00 0.00 59.36 57.18 1jx6 h GLU 37 Cb 1.88 -0.00 -0.41 0.00 -0.16 0.00 0.00 28.75 30.06 1jx6 h GLU 37 CO 0.16 0.86 -0.64 -0.06 -1.18 0.00 0.00 179.01 178.14 1jx6 s PHE 38 N -4.28 3.05 0.46 0.92 0.40 -0.63 -4.98 117.98 112.92 1jx6 s PHE 38 Ca -0.07 -3.09 0.23 0.00 -0.60 0.00 0.00 56.93 53.40 1jx6 s PHE 38 Cb 0.12 -2.60 1.24 0.00 0.51 0.00 0.00 43.02 42.29 1jx6 s PHE 38 CO 0.82 -0.69 1.85 -1.00 0.70 0.00 0.00 175.22 176.90 1jx6 h PRO 39 N 6.20 0.25 0.00 0.24 0.13 -1.73 0.21 132.00 137.29 1jx6 h PRO 39 Ca 0.00 -0.01 -0.09 0.00 -0.87 0.00 0.00 66.00 65.03 1jx6 h PRO 39 Cb 0.86 -0.06 -0.01 0.00 0.13 0.00 0.00 31.00 31.92 1jx6 h PRO 39 CO 0.66 0.16 -0.42 1.49 -0.23 0.00 0.00 178.00 179.66 1jx6 h GLU 40 N 0.26 0.00 -0.22 0.86 4.57 -1.94 -2.08 114.58 116.03 1jx6 h GLU 40 Ca 0.48 0.00 -0.16 0.00 -1.18 0.00 0.00 59.36 58.50 1jx6 h GLU 40 Cb 1.44 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 30.03 1jx6 h GLU 40 CO -0.13 0.42 -0.52 1.96 -1.18 0.00 0.00 179.01 179.56 1jx6 h GLN 41 N 0.00 0.62 -0.49 1.92 1.08 -0.91 -1.55 115.11 115.78 1jx6 h GLN 41 Ca -0.00 -0.38 -0.07 0.00 -1.45 0.00 0.00 58.65 56.74 1jx6 h GLN 41 Cb 0.80 0.04 -0.02 0.00 -0.05 0.00 0.00 27.48 28.25 1jx6 h GLN 41 CO 0.06 0.99 0.01 -0.09 -0.95 0.00 0.00 178.83 178.85 1jx6 h ARG 42 N 0.49 0.81 -0.57 1.46 2.43 -1.08 0.59 114.38 118.50 1jx6 h ARG 42 Ca 0.02 -0.21 -0.07 0.00 -0.81 0.00 0.00 59.98 58.90 1jx6 h ARG 42 Cb 1.07 -0.10 -0.02 0.00 -0.42 0.00 0.00 29.97 30.50 1jx6 h ARG 42 CO 0.10 0.81 0.09 -0.91 -1.51 0.00 0.00 179.97 178.55 1jx6 h ASN 43 N 0.76 0.91 -0.45 -3.80 2.35 -1.12 -0.28 115.58 113.96 1jx6 h ASN 43 Ca 0.15 -0.26 -0.08 0.00 -0.55 0.00 0.00 56.30 55.55 1jx6 h ASN 43 Cb 0.44 -0.24 -0.02 0.00 0.05 0.00 0.00 38.32 38.55 1jx6 h ASN 43 CO 0.02 0.94 -0.05 -0.07 -1.65 0.00 0.00 177.43 176.62 1jx6 h LEU 44 N 0.85 0.82 -0.53 1.61 3.38 -0.88 -1.21 115.31 119.34 1jx6 h LEU 44 Ca 0.17 -0.33 -0.06 0.00 0.09 0.00 0.00 57.88 57.75 1jx6 h LEU 44 Cb 0.42 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 40.93 1jx6 h LEU 44 CO 0.01 0.96 0.09 0.74 0.09 0.00 0.00 178.44 180.33 1jx6 h THR 45 N 0.67 1.25 -0.66 0.22 2.02 -0.77 -1.35 112.91 114.29 1jx6 h THR 45 Ca 0.12 -0.94 -0.05 0.00 0.77 0.00 0.00 66.41 66.31 1jx6 h THR 45 Cb 0.57 0.84 -0.03 0.00 -1.74 0.00 0.00 68.15 67.79 1jx6 h THR 45 CO 0.03 0.34 0.22 0.78 0.37 0.00 0.00 175.52 177.27 1jx6 h ASN 46 N 0.76 0.92 -0.51 4.18 2.35 -0.93 -0.73 115.58 121.62 1jx6 h ASN 46 Ca 0.16 -0.15 -0.06 0.00 -0.55 0.00 0.00 56.30 55.70 1jx6 h ASN 46 Cb 0.40 -0.24 -0.02 0.00 0.05 0.00 0.00 38.32 38.51 1jx6 h ASN 46 CO 0.01 0.85 0.11 0.00 -1.65 0.00 0.00 177.43 176.74 1jx6 h ALA 47 N 1.28 1.14 -0.29 -0.83 0.00 -0.80 -1.38 119.26 118.39 1jx6 h ALA 47 Ca 0.22 -0.23 -0.12 0.00 0.00 0.00 0.00 54.91 54.78 1jx6 h ALA 47 Cb 0.25 -0.22 -0.00 0.00 0.00 0.00 0.00 17.79 17.81 1jx6 h ALA 47 CO -0.01 0.57 -0.31 1.25 0.00 0.00 0.00 179.25 180.75 1jx6 h LEU 48 N 0.84 0.77 -0.79 0.00 6.46 -0.80 -1.86 115.31 119.93 1jx6 h LEU 48 Ca 0.18 -0.48 0.08 0.00 -0.12 0.00 0.00 57.88 57.53 1jx6 h LEU 48 Cb 0.35 -0.22 -0.07 0.00 -0.73 0.00 0.00 40.66 40.00 1jx6 h LEU 48 CO 0.00 1.09 0.46 0.28 -0.62 0.00 0.00 178.44 179.65 1jx6 h SER 49 N 0.46 0.68 -0.49 1.25 0.02 -0.80 0.83 113.55 115.50 1jx6 h SER 49 Ca 0.04 0.04 -0.11 0.00 -0.84 0.00 0.00 61.79 60.92 1jx6 h SER 49 Cb 0.88 -0.10 -0.02 0.00 0.14 0.00 0.00 62.40 63.31 1jx6 h SER 49 CO 0.08 0.41 -0.11 -0.33 -1.14 0.00 0.00 176.83 175.74 1jx6 h GLU 50 N 0.81 0.97 -0.42 3.45 5.08 -1.13 -2.72 114.58 120.61 1jx6 h GLU 50 Ca 0.37 -0.35 -0.07 0.00 -1.00 0.00 0.00 59.36 58.30 1jx6 h GLU 50 Cb 0.27 -0.07 -0.02 0.00 0.50 0.00 0.00 28.75 29.44 1jx6 h GLU 50 CO -0.21 1.02 -0.04 0.00 -1.00 0.00 0.00 179.01 178.77 1jx6 h ALA 51 N 1.00 1.13 -0.72 3.43 0.00 -0.40 -0.60 119.26 123.11 1jx6 h ALA 51 Ca 0.14 -0.27 -0.04 0.00 0.00 0.00 0.00 54.91 54.74 1jx6 h ALA 51 Cb 0.66 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 18.24 1jx6 h ALA 51 CO 0.05 0.55 0.29 0.28 0.00 0.00 0.00 179.25 180.42 1jx6 h VAL 52 N 0.66 1.25 0.01 0.00 2.07 -0.65 -3.10 116.25 116.49 1jx6 h VAL 52 Ca 0.13 -0.76 -0.22 0.00 0.82 0.00 0.00 66.70 66.66 1jx6 h VAL 52 Cb 0.47 0.41 -0.03 0.00 -1.52 0.00 0.00 31.29 30.63 1jx6 h VAL 52 CO 0.02 0.31 -1.05 0.03 0.02 0.00 0.00 177.57 176.91 1jx6 h ARG 53 N 1.02 0.01 -7.37 1.57 2.47 -1.28 -3.46 114.38 107.34 1jx6 h ARG 53 Ca 0.24 -0.02 -0.50 0.00 -1.26 0.00 0.00 59.98 58.44 1jx6 h ARG 53 Cb 0.20 0.01 0.11 0.00 -1.65 0.00 0.00 29.97 28.63 1jx6 h ARG 53 CO -0.02 0.98 0.35 0.00 0.56 0.00 0.00 179.97 181.84 1jx6 s ALA 54 N -2.70 2.42 0.59 0.04 0.00 -0.25 -5.01 121.76 116.85 1jx6 s ALA 54 Ca 0.00 -0.06 -0.19 0.00 0.00 0.00 0.00 51.96 51.71 1jx6 s ALA 54 Cb 0.10 -3.14 -0.03 0.00 0.00 0.00 0.00 23.12 20.04 1jx6 s ALA 54 CO 0.82 -1.53 1.25 -0.65 0.00 0.00 0.00 175.76 175.65 1jx6 s GLN 55 N -5.09 2.96 0.04 0.00 -1.52 -1.26 -4.91 119.66 109.86 1jx6 s GLN 55 Ca 0.60 1.94 -0.33 0.00 -1.95 0.00 0.00 55.36 55.61 1jx6 s GLN 55 Cb -0.14 -1.99 -0.12 0.00 -0.22 0.00 0.00 33.01 30.54 1jx6 s GLN 55 CO 0.55 -1.25 1.78 -2.30 -0.25 0.00 0.00 175.29 173.82 1jx6 n PRO 56 N -1.50 2.31 -3.86 2.91 -0.02 -1.26 -4.97 135.00 128.61 1jx6 n PRO 56 Ca 0.13 0.84 -0.34 0.00 -2.02 0.00 0.00 63.50 62.12 1jx6 n PRO 56 Cb 0.48 -2.68 -0.13 0.00 -0.02 0.00 0.00 33.50 31.16 1jx6 n PRO 56 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1jx6 s VAL 57 N 2.83 2.99 0.69 -1.45 1.01 -1.26 -5.02 120.40 120.19 1jx6 s VAL 57 Ca 0.86 -2.44 -0.17 0.00 0.00 0.00 0.00 61.98 60.23 1jx6 s VAL 57 Cb -0.64 -3.07 -0.07 0.00 0.00 0.00 0.00 36.38 32.61 1jx6 s VAL 57 CO 0.44 -0.71 0.36 -0.81 0.00 0.00 0.00 175.10 174.39 1jx6 n PRO 58 N 4.13 0.28 -1.65 2.72 -0.04 -1.26 -4.85 135.00 134.33 1jx6 n PRO 58 Ca 0.02 0.12 -0.57 0.00 -0.04 0.00 0.00 63.50 63.03 1jx6 n PRO 58 Cb 0.40 -1.65 -0.07 0.00 -0.04 0.00 0.00 33.50 32.13 1jx6 n PRO 58 CO 0.00 0.00 0.00 -0.11 -0.04 0.00 0.00 175.50 175.35 1jx6 n LEU 59 N 0.41 1.66 0.09 1.53 7.94 0.47 -4.87 117.00 124.23 1jx6 n LEU 59 Ca 0.09 1.12 -0.03 0.00 -1.11 0.00 0.00 56.01 56.08 1jx6 n LEU 59 Cb 0.50 -1.09 -0.06 0.00 0.53 0.00 0.00 43.42 43.30 1jx6 n LEU 59 CO 0.51 -0.89 0.28 0.77 -1.11 0.00 0.00 177.39 176.96 1jx6 h SER 60 N 5.47 0.00 -3.82 1.96 4.64 -1.90 -3.42 113.55 116.47 1jx6 h SER 60 Ca -0.47 0.00 -0.66 0.00 -0.47 0.00 0.00 61.79 60.18 1jx6 h SER 60 Cb 1.35 0.00 -0.38 0.00 -0.31 0.00 0.00 62.40 63.06 1jx6 h SER 60 CO 0.86 0.79 -0.78 -0.54 -0.87 0.00 0.00 176.83 176.29 1jx6 s LYS 61 N -2.82 2.07 0.18 4.77 1.02 -1.26 -5.10 119.74 118.59 1jx6 s LYS 61 Ca 0.02 -1.43 -0.31 0.00 0.02 0.00 0.00 55.97 54.28 1jx6 s LYS 61 Cb 0.09 -2.93 -0.09 0.00 -0.52 0.00 0.00 37.83 34.38 1jx6 s LYS 61 CO 0.79 -0.64 1.43 -1.25 -0.92 0.00 0.00 175.35 174.75 1jx6 s PRO 62 N 1.08 4.30 0.04 -1.68 0.04 -1.26 -4.89 135.00 132.62 1jx6 s PRO 62 Ca -0.05 2.20 -0.24 0.00 0.04 0.00 0.00 61.00 62.94 1jx6 s PRO 62 Cb -0.20 -3.18 -0.05 0.00 0.04 0.00 0.00 34.50 31.11 1jx6 s PRO 62 CO -0.06 -0.43 0.74 0.95 0.04 0.00 0.00 177.00 178.24 1jx6 s THR 63 N 0.61 4.76 -1.03 1.26 -4.23 -1.26 -4.95 115.64 110.80 1jx6 s THR 63 Ca 0.63 1.57 0.18 0.00 -1.18 0.00 0.00 61.69 62.88 1jx6 s THR 63 Cb -0.40 -4.08 0.16 0.00 1.34 0.00 0.00 72.50 69.52 1jx6 s THR 63 CO 0.36 0.37 1.58 0.00 -0.54 0.00 0.00 174.62 176.39 1jx6 n GLN 64 N 2.78 0.02 -4.48 3.99 6.02 -1.26 -4.63 117.38 119.83 1jx6 n GLN 64 Ca -0.03 0.18 -0.21 0.00 -0.01 0.00 0.00 57.00 56.93 1jx6 n GLN 64 Cb 0.50 -1.50 -0.16 0.00 1.02 0.00 0.00 30.24 30.11 1jx6 n GLN 64 CO 0.00 0.00 0.00 1.03 -1.01 0.00 0.00 177.06 177.08 1jx6 s ARG 65 N -2.97 1.12 0.40 -1.09 0.52 -1.26 -5.11 118.95 110.56 1jx6 s ARG 65 Ca 0.09 -0.36 -0.26 0.00 -0.52 0.00 0.00 55.73 54.68 1jx6 s ARG 65 Cb 0.12 -1.02 -0.09 0.00 0.52 0.00 0.00 34.95 34.48 1jx6 s ARG 65 CO 0.33 0.14 1.32 -1.25 0.02 0.00 0.00 175.30 175.86 1jx6 s PRO 66 N 0.16 3.97 0.44 3.54 0.04 -1.26 -4.93 135.00 136.96 1jx6 s PRO 66 Ca -0.03 2.21 -0.23 0.00 0.04 0.00 0.00 61.00 62.99 1jx6 s PRO 66 Cb -0.09 -2.77 -0.08 0.00 0.04 0.00 0.00 34.50 31.59 1jx6 s PRO 66 CO 0.01 -0.51 1.08 0.96 0.04 0.00 0.00 177.00 178.58 1jx6 s ILE 67 N -1.24 3.56 -0.26 0.56 -4.36 -0.25 -4.77 121.20 114.44 1jx6 s ILE 67 Ca 0.57 1.13 -0.10 0.00 -0.26 0.00 0.00 60.65 61.98 1jx6 s ILE 67 Cb -0.39 -3.55 -0.05 0.00 1.25 0.00 0.00 42.46 39.73 1jx6 s ILE 67 CO 0.51 -0.06 0.16 -0.54 0.24 0.00 0.00 174.94 175.24 1jx6 s LYS 68 N -2.74 3.93 -0.07 0.37 1.02 -1.26 -0.38 119.74 120.61 1jx6 s LYS 68 Ca 0.62 -0.33 0.05 0.00 0.02 0.00 0.00 55.97 56.32 1jx6 s LYS 68 Cb -0.22 -3.56 -0.00 0.00 -0.52 0.00 0.00 37.83 33.52 1jx6 s LYS 68 CO 0.28 -0.10 -0.23 0.42 -0.92 0.00 0.00 175.35 174.80 1jx6 s ILE 69 N 1.50 1.90 -0.07 2.17 1.01 0.40 -0.65 121.20 127.46 1jx6 s ILE 69 Ca 0.07 -0.96 0.05 0.00 0.00 0.00 0.00 60.65 59.82 1jx6 s ILE 69 Cb -0.15 -1.63 -0.01 0.00 0.01 0.00 0.00 42.46 40.68 1jx6 s ILE 69 CO 0.08 0.53 -0.24 -0.44 0.00 0.00 0.00 174.94 174.86 1jx6 s SER 70 N 0.12 3.01 -0.05 3.58 0.01 -0.49 -0.62 113.70 119.26 1jx6 s SER 70 Ca -0.10 -0.51 0.05 0.00 1.31 0.00 0.00 55.95 56.69 1jx6 s SER 70 Cb -0.15 -0.98 -0.01 0.00 0.21 0.00 0.00 66.02 65.09 1jx6 s SER 70 CO 0.06 0.22 -0.21 -0.69 0.41 0.00 0.00 173.24 173.02 1jx6 s VAL 71 N -0.01 1.78 -0.27 3.43 1.01 0.55 -0.57 120.40 126.31 1jx6 s VAL 71 Ca -0.08 -0.91 -0.02 0.00 0.00 0.00 0.00 61.98 60.97 1jx6 s VAL 71 Cb -0.15 -1.51 0.09 0.00 0.00 0.00 0.00 36.38 34.81 1jx6 s VAL 71 CO 0.05 0.50 0.09 -0.69 0.00 0.00 0.00 175.10 175.05 1jx6 s VAL 72 N -0.05 0.47 0.09 2.92 1.01 -0.17 -1.10 120.40 123.57 1jx6 s VAL 72 Ca -0.04 -0.98 0.09 0.00 0.00 0.00 0.00 61.98 61.05 1jx6 s VAL 72 Cb -0.13 -1.28 -0.03 0.00 0.00 0.00 0.00 36.38 34.94 1jx6 s VAL 72 CO 0.03 -0.58 -0.22 -0.31 0.00 0.00 0.00 175.10 174.02 1jx6 s TYR 73 N 1.84 1.91 -0.28 5.22 4.12 -0.53 -4.04 117.35 125.59 1jx6 s TYR 73 Ca 0.07 -0.40 -0.04 0.00 0.02 0.00 0.00 57.07 56.72 1jx6 s TYR 73 Cb -0.17 -1.07 -0.00 0.00 -1.52 0.00 0.00 41.96 39.20 1jx6 s TYR 73 CO -0.25 0.20 2.80 -0.35 0.02 0.00 0.00 175.55 177.98 1jx6 n PRO 74 N 1.26 2.09 0.00 -1.71 -0.04 -1.26 -0.42 135.00 134.92 1jx6 n PRO 74 Ca -0.19 -1.69 0.07 0.00 -0.04 0.00 0.00 63.50 61.66 1jx6 n PRO 74 Cb 0.53 -1.93 0.34 0.00 -0.04 0.00 0.00 33.50 32.41 1jx6 n PRO 74 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1jx6 n GLY 75 N 1.24 -0.96 3.54 0.55 0.00 -0.90 -4.10 105.19 104.56 1jx6 n GLY 75 Ca 0.40 -0.06 -0.42 0.00 0.00 0.00 0.00 46.02 45.95 1jx6 n GLY 75 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1jx6 s GLN 76 N -2.88 3.63 0.29 1.61 0.74 -0.22 -4.73 119.66 118.10 1jx6 s GLN 76 Ca 0.09 -1.34 -0.13 0.00 0.05 0.00 0.00 55.36 54.04 1jx6 s GLN 76 Cb 0.10 -5.27 0.01 0.00 1.10 0.00 0.00 33.01 28.95 1jx6 s GLN 76 CO 0.27 -2.11 0.55 -0.65 -0.55 0.00 0.00 175.29 172.80 1jx6 s GLN 77 N 4.39 1.74 0.16 1.67 -0.21 -1.26 -4.43 119.66 121.71 1jx6 s GLN 77 Ca 0.44 -1.33 -0.06 0.00 0.02 0.00 0.00 55.36 54.43 1jx6 s GLN 77 Cb -0.01 0.51 0.03 0.00 1.00 0.00 0.00 33.01 34.54 1jx6 s GLN 77 CO -0.09 -0.75 1.45 0.28 -2.12 0.00 0.00 175.29 174.07 1jx6 h VAL 78 N 2.16 1.31 -3.20 1.09 2.07 -1.97 -3.43 116.25 114.28 1jx6 h VAL 78 Ca -0.26 -1.84 -0.53 0.00 0.82 0.00 0.00 66.70 64.88 1jx6 h VAL 78 Cb 1.25 1.80 0.08 0.00 -1.52 0.00 0.00 31.29 32.90 1jx6 h VAL 78 CO 0.35 0.58 0.90 -0.24 0.02 0.00 0.00 177.57 179.17 1jx6 n SER 79 N -3.95 3.88 -1.43 0.57 2.88 -1.26 -4.83 113.62 109.47 1jx6 n SER 79 Ca -0.04 1.14 0.08 0.00 -1.33 0.00 0.00 58.87 58.72 1jx6 n SER 79 Cb 0.64 -1.59 0.31 0.00 -0.75 0.00 0.00 64.21 62.82 1jx6 n SER 79 CO 0.00 0.00 0.00 -0.90 -1.23 0.00 0.00 175.04 172.91 1jx6 n ASP 80 N 2.38 4.23 0.00 -3.46 3.85 -1.26 -4.59 116.55 117.69 1jx6 n ASP 80 Ca 0.09 -2.40 -0.10 0.00 -0.71 0.00 0.00 54.79 51.67 1jx6 n ASP 80 Cb 0.36 -0.54 -0.04 0.00 -1.35 0.00 0.00 41.12 39.56 1jx6 n ASP 80 CO 0.00 0.00 0.00 0.22 -1.01 0.00 0.00 177.20 176.41 1jx6 h TYR 81 N 3.55 -0.28 -0.43 2.11 3.20 -1.94 -1.12 116.97 122.06 1jx6 h TYR 81 Ca 0.00 0.02 -0.14 0.00 3.14 0.00 0.00 58.73 61.74 1jx6 h TYR 81 Cb 1.31 0.14 -0.01 0.00 1.54 0.00 0.00 36.73 39.72 1jx6 h TYR 81 CO 0.69 -0.17 -0.29 -1.49 -1.64 0.00 0.00 178.16 175.26 1jx6 h TRP 82 N -0.14 1.12 -0.20 -3.82 4.06 -1.88 0.16 115.95 115.24 1jx6 h TRP 82 Ca 0.08 -0.30 -0.02 0.00 2.06 0.00 0.00 58.89 60.70 1jx6 h TRP 82 Cb 0.25 -0.25 -0.01 0.00 -1.00 0.00 0.00 29.16 28.15 1jx6 h TRP 82 CO -0.22 1.13 0.04 0.28 -3.56 0.00 0.00 178.44 176.11 1jx6 h VAL 83 N 0.79 1.21 -0.17 1.49 2.07 -1.83 -2.52 116.25 117.30 1jx6 h VAL 83 Ca 0.09 -0.69 -0.08 0.00 0.82 0.00 0.00 66.70 66.84 1jx6 h VAL 83 Cb 0.88 1.28 -0.01 0.00 -1.52 0.00 0.00 31.29 31.91 1jx6 h VAL 83 CO 0.08 0.22 -0.24 0.03 0.02 0.00 0.00 177.57 177.68 1jx6 h ARG 84 N 0.14 0.30 -0.44 1.57 3.08 -1.16 -2.14 114.38 115.73 1jx6 h ARG 84 Ca 0.06 -0.10 -0.01 0.00 0.07 0.00 0.00 59.98 60.00 1jx6 h ARG 84 Cb 0.29 -0.03 -0.02 0.00 0.08 0.00 0.00 29.97 30.29 1jx6 h ARG 84 CO 0.00 0.53 0.22 -0.97 -1.07 0.00 0.00 179.97 178.68 1jx6 h ASN 85 N 0.27 0.57 -0.38 7.04 -0.73 -0.73 -0.35 115.58 121.26 1jx6 h ASN 85 Ca 0.04 -0.11 -0.12 0.00 1.87 0.00 0.00 56.30 57.98 1jx6 h ASN 85 Cb 0.57 -0.14 -0.01 0.00 0.27 0.00 0.00 38.32 39.00 1jx6 h ASN 85 CO 0.04 0.52 -0.22 0.40 -0.37 0.00 0.00 177.43 177.80 1jx6 h ILE 86 N 0.57 1.27 -0.06 2.57 1.08 -1.26 -0.53 117.51 121.15 1jx6 h ILE 86 Ca 0.15 -1.37 -0.00 0.00 -0.39 0.00 0.00 64.86 63.26 1jx6 h ILE 86 Cb 0.10 1.17 -0.00 0.00 -3.07 0.00 0.00 36.82 35.02 1jx6 h ILE 86 CO -0.02 0.46 0.03 0.00 -0.69 0.00 0.00 178.15 177.94 1jx6 h ALA 87 N 0.97 0.07 -0.59 1.87 0.00 -1.11 0.11 119.26 120.59 1jx6 h ALA 87 Ca 0.10 -0.03 -0.10 0.00 0.00 0.00 0.00 54.91 54.89 1jx6 h ALA 87 Cb 0.77 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.52 1jx6 h ALA 87 CO 0.06 -0.41 -0.02 0.66 0.00 0.00 0.00 179.25 179.54 1jx6 h SER 88 N 0.04 1.03 0.18 0.00 4.64 -1.00 -1.94 113.55 116.51 1jx6 h SER 88 Ca 0.02 -0.30 0.00 0.00 -0.47 0.00 0.00 61.79 61.04 1jx6 h SER 88 Cb 0.03 -0.28 -0.01 0.00 -0.31 0.00 0.00 62.40 61.84 1jx6 h SER 88 CO -0.00 1.09 -0.15 0.15 -0.87 0.00 0.00 176.83 177.05 1jx6 h PHE 89 N 0.95 -0.39 -0.66 4.77 3.57 -0.84 -1.67 116.94 122.67 1jx6 h PHE 89 Ca 0.17 0.00 -0.04 0.00 3.53 0.00 0.00 57.97 61.63 1jx6 h PHE 89 Cb 0.58 0.15 -0.03 0.00 2.79 0.00 0.00 35.95 39.44 1jx6 h PHE 89 CO 0.04 -0.23 0.26 0.93 -2.23 0.00 0.00 178.31 177.08 1jx6 h GLU 90 N -0.35 0.96 -0.56 1.11 5.08 -0.70 -1.40 114.58 118.72 1jx6 h GLU 90 Ca -0.01 -0.16 -0.06 0.00 -1.00 0.00 0.00 59.36 58.14 1jx6 h GLU 90 Cb 0.32 -0.17 -0.02 0.00 0.50 0.00 0.00 28.75 29.38 1jx6 h GLU 90 CO -0.02 0.79 0.12 -0.22 -1.00 0.00 0.00 179.01 178.67 1jx6 h LYS 91 N 0.95 0.90 -0.40 2.33 3.64 -1.17 -1.42 116.57 121.41 1jx6 h LYS 91 Ca 0.22 -0.23 -0.11 0.00 -1.27 0.00 0.00 60.65 59.27 1jx6 h LYS 91 Cb 0.18 -0.11 -0.02 0.00 -0.41 0.00 0.00 32.23 31.87 1jx6 h LYS 91 CO -0.02 0.86 -0.19 -0.09 -2.27 0.00 0.00 179.45 177.73 1jx6 h ARG 92 N 0.80 0.76 -0.79 1.90 9.65 -0.98 -0.64 114.38 125.08 1jx6 h ARG 92 Ca 0.17 -0.29 -0.02 0.00 -1.10 0.00 0.00 59.98 58.75 1jx6 h ARG 92 Cb 0.37 -0.04 -0.04 0.00 -1.39 0.00 0.00 29.97 28.87 1jx6 h ARG 92 CO 0.01 0.90 0.43 -0.07 2.80 0.00 0.00 179.97 184.03 1jx6 h LEU 93 N 0.67 0.98 -0.16 3.80 3.38 -0.99 -0.38 115.31 122.62 1jx6 h LEU 93 Ca 0.10 -0.08 -0.02 0.00 0.09 0.00 0.00 57.88 57.97 1jx6 h LEU 93 Cb 0.69 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 41.18 1jx6 h LEU 93 CO 0.05 0.79 0.02 0.22 0.09 0.00 0.00 178.44 179.62 1jx6 h TYR 94 N 1.10 0.28 0.00 1.13 3.20 -0.68 -1.55 116.97 120.46 1jx6 h TYR 94 Ca 0.28 -0.04 0.00 0.00 3.14 0.00 0.00 58.73 62.11 1jx6 h TYR 94 Cb 0.03 -0.08 0.00 0.00 1.54 0.00 0.00 36.73 38.23 1jx6 h TYR 94 CO 0.01 0.44 0.00 0.87 -1.64 0.00 0.00 178.16 177.83 1jx6 h LYS 95 N 0.05 0.00 -0.04 1.82 1.57 -0.76 -1.89 116.57 117.32 1jx6 h LYS 95 Ca 0.05 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.83 1jx6 h LYS 95 Cb 0.31 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.62 1jx6 h LYS 95 CO 0.00 0.00 0.00 1.28 -0.57 0.00 0.00 179.45 180.16 1jx6 n LEU 96 N -2.78 2.25 -3.38 2.94 4.77 -0.19 -4.47 117.00 116.14 1jx6 n LEU 96 Ca 0.01 -0.77 -0.21 0.00 -0.03 0.00 0.00 56.01 55.01 1jx6 n LEU 96 Cb 0.25 -0.01 0.08 0.00 -2.33 0.00 0.00 43.42 41.41 1jx6 n LEU 96 CO 0.23 0.38 0.21 -3.20 -1.33 0.00 0.00 177.39 173.69 1jx6 n ASN 97 N 0.76 -5.37 -4.53 -1.43 2.85 -0.71 -0.39 115.26 106.44 1jx6 n ASN 97 Ca 0.17 -0.52 -0.39 0.00 -0.11 0.00 0.00 54.58 53.73 1jx6 n ASN 97 Cb 0.47 -4.76 -0.11 0.00 1.24 0.00 0.00 39.78 36.62 1jx6 n ASN 97 CO 0.00 0.00 0.00 -0.63 -2.11 0.00 0.00 177.26 174.52 1jx6 s ILE 98 N -3.31 5.03 -0.08 -1.44 1.01 -0.62 -4.74 121.20 117.06 1jx6 s ILE 98 Ca 0.45 -0.09 -0.30 0.00 0.00 0.00 0.00 60.65 60.71 1jx6 s ILE 98 Cb -0.20 -3.47 -0.02 0.00 0.01 0.00 0.00 42.46 38.78 1jx6 s ILE 98 CO 0.68 0.16 1.07 0.20 0.00 0.00 0.00 174.94 177.06 1jx6 s ASN 99 N 1.70 7.18 0.11 3.58 0.01 -1.26 -4.65 114.94 121.62 1jx6 s ASN 99 Ca 0.06 1.64 -0.07 0.00 -0.71 0.00 0.00 52.86 53.79 1jx6 s ASN 99 Cb -0.16 -2.56 -0.01 0.00 0.41 0.00 0.00 41.25 38.93 1jx6 s ASN 99 CO 0.09 -0.48 0.18 -0.72 -1.51 0.00 0.00 177.10 174.66 1jx6 s TYR 100 N 2.00 0.34 -0.13 2.20 -0.85 -1.26 -1.09 117.35 118.56 1jx6 s TYR 100 Ca 0.51 -0.76 0.00 0.00 -0.52 0.00 0.00 57.07 56.30 1jx6 s TYR 100 Cb -0.21 -0.14 0.02 0.00 0.38 0.00 0.00 41.96 42.02 1jx6 s TYR 100 CO 0.20 -0.58 -0.11 -1.14 -1.52 0.00 0.00 175.55 172.40 1jx6 s GLN 101 N -3.92 1.96 -0.14 -3.49 0.74 0.49 -4.87 119.66 110.43 1jx6 s GLN 101 Ca 0.11 -0.42 0.02 0.00 0.05 0.00 0.00 55.36 55.12 1jx6 s GLN 101 Cb 0.05 -1.87 0.00 0.00 1.10 0.00 0.00 33.01 32.30 1jx6 s GLN 101 CO -0.06 -0.24 -0.20 -1.17 -0.55 0.00 0.00 175.29 173.07 1jx6 s LEU 102 N 1.56 2.23 -0.18 3.68 1.98 -1.26 -0.45 118.68 126.23 1jx6 s LEU 102 Ca 0.04 -0.55 -0.06 0.00 -2.89 0.00 0.00 54.13 50.68 1jx6 s LEU 102 Cb -0.13 -1.48 -0.03 0.00 0.66 0.00 0.00 46.19 45.21 1jx6 s LEU 102 CO -0.09 0.10 0.02 0.21 -1.89 0.00 0.00 176.35 174.70 1jx6 s ASN 103 N 0.70 5.24 -0.05 3.68 3.84 0.21 -5.00 114.94 123.56 1jx6 s ASN 103 Ca -0.09 -0.03 0.05 0.00 0.21 0.00 0.00 52.86 52.99 1jx6 s ASN 103 Cb -0.16 -1.89 -0.01 0.00 -0.55 0.00 0.00 41.25 38.65 1jx6 s ASN 103 CO 0.01 0.15 -0.20 -1.58 -2.79 0.00 0.00 177.10 172.69 1jx6 s GLN 104 N 0.50 2.02 -0.08 0.43 0.74 -1.26 -0.33 119.66 121.68 1jx6 s GLN 104 Ca 0.01 -0.70 -0.00 0.00 0.05 0.00 0.00 55.36 54.71 1jx6 s GLN 104 Cb -0.13 -1.74 0.02 0.00 1.10 0.00 0.00 33.01 32.26 1jx6 s GLN 104 CO 0.02 0.29 -0.05 0.08 -0.55 0.00 0.00 175.29 175.08 1jx6 s VAL 105 N -0.03 0.71 -0.12 1.34 1.01 -0.26 -4.98 120.40 118.07 1jx6 s VAL 105 Ca -0.04 -0.13 0.00 0.00 0.00 0.00 0.00 61.98 61.81 1jx6 s VAL 105 Cb -0.12 -0.77 -0.01 0.00 0.00 0.00 0.00 36.38 35.47 1jx6 s VAL 105 CO 0.03 0.30 -0.14 -0.36 0.00 0.00 0.00 175.10 174.93 1jx6 s PHE 106 N 1.55 2.80 0.45 5.22 0.40 -1.26 -1.45 117.98 125.69 1jx6 s PHE 106 Ca -0.00 -0.63 0.03 0.00 -0.60 0.00 0.00 56.93 55.73 1jx6 s PHE 106 Cb -0.13 -1.83 -0.03 0.00 0.51 0.00 0.00 43.02 41.54 1jx6 s PHE 106 CO -0.04 -0.20 0.03 0.95 0.70 0.00 0.00 175.22 176.66 1jx6 s THR 107 N 0.30 1.24 0.06 0.64 -4.23 0.44 -4.77 115.64 109.32 1jx6 s THR 107 Ca -0.10 -2.00 -0.11 0.00 -1.18 0.00 0.00 61.69 58.29 1jx6 s THR 107 Cb -0.16 -2.43 -0.06 0.00 1.34 0.00 0.00 72.50 71.19 1jx6 s THR 107 CO 0.06 0.00 0.41 -0.13 -0.54 0.00 0.00 174.62 174.42 1jx6 s ARG 108 N -3.81 3.82 0.56 3.99 0.52 -1.26 -1.05 118.95 121.70 1jx6 s ARG 108 Ca 0.18 0.26 -0.20 0.00 -0.52 0.00 0.00 55.73 55.45 1jx6 s ARG 108 Cb 0.04 -3.04 -0.05 0.00 0.52 0.00 0.00 34.95 32.42 1jx6 s ARG 108 CO 0.09 0.59 1.18 -1.25 0.02 0.00 0.00 175.30 175.93 1jx6 s PRO 109 N -1.71 3.23 -1.79 3.54 0.04 -1.26 -2.80 135.00 134.25 1jx6 s PRO 109 Ca 0.31 1.75 0.00 0.00 0.04 0.00 0.00 61.00 63.10 1jx6 s PRO 109 Cb -0.15 -2.03 0.00 0.00 0.04 0.00 0.00 34.50 32.37 1jx6 s PRO 109 CO 0.17 -0.98 0.00 -1.71 0.04 0.00 0.00 177.00 174.52 1jx6 n ASN 110 N -1.32 -5.29 -2.71 6.66 4.05 -1.26 -4.88 115.26 110.50 1jx6 n ASN 110 Ca 0.12 0.24 -0.07 0.00 0.45 0.00 0.00 54.58 55.32 1jx6 n ASN 110 Cb 0.50 -4.39 0.03 0.00 1.23 0.00 0.00 39.78 37.14 1jx6 n ASN 110 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21 1jx6 n ALA 111 N -0.14 -1.77 -3.69 5.20 0.00 -1.12 -4.98 120.51 114.01 1jx6 n ALA 111 Ca -0.20 -1.12 -0.25 0.00 0.00 0.00 0.00 53.44 51.87 1jx6 n ALA 111 Cb 0.64 0.86 0.06 0.00 0.00 0.00 0.00 19.45 21.00 1jx6 n ALA 111 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1jx6 n ASP 112 N -1.45 -5.23 -0.33 0.00 10.43 -1.26 -4.56 116.55 114.15 1jx6 n ASP 112 Ca -0.07 -0.64 -0.02 0.00 2.57 0.00 0.00 54.79 56.63 1jx6 n ASP 112 Cb 0.54 -4.64 0.10 0.00 1.84 0.00 0.00 41.12 38.96 1jx6 n ASP 112 CO 0.00 0.00 0.00 0.40 -1.07 0.00 0.00 177.20 176.53 1jx6 h ILE 113 N -2.41 1.19 0.14 0.53 2.04 -1.93 -1.13 117.51 115.95 1jx6 h ILE 113 Ca -0.58 -0.40 -0.01 0.00 1.00 0.00 0.00 64.86 64.88 1jx6 h ILE 113 Cb 1.37 -0.07 0.00 0.00 -0.74 0.00 0.00 36.82 37.38 1jx6 h ILE 113 CO 0.59 0.21 -0.07 0.50 0.00 0.00 0.00 178.15 179.38 1jx6 h LYS 114 N 1.16 -0.19 -0.54 2.37 3.64 -1.99 -1.60 116.57 119.42 1jx6 h LYS 114 Ca 0.34 0.01 0.06 0.00 -1.27 0.00 0.00 60.65 59.79 1jx6 h LYS 114 Cb -0.08 0.04 -0.05 0.00 -0.41 0.00 0.00 32.23 31.73 1jx6 h LYS 114 CO -0.09 0.01 0.25 0.37 -2.27 0.00 0.00 179.45 177.71 1jx6 h GLN 115 N -0.35 0.45 -0.32 1.90 5.75 -1.90 0.12 115.11 120.77 1jx6 h GLN 115 Ca -0.02 -0.03 0.05 0.00 -0.15 0.00 0.00 58.65 58.50 1jx6 h GLN 115 Cb 0.28 -0.10 -0.04 0.00 1.07 0.00 0.00 27.48 28.68 1jx6 h GLN 115 CO 0.03 0.30 0.06 0.37 -2.65 0.00 0.00 178.83 176.95 1jx6 h GLN 116 N 0.47 0.17 -0.15 1.69 4.15 -1.10 0.23 115.11 120.57 1jx6 h GLN 116 Ca 0.25 -0.01 -0.00 0.00 0.77 0.00 0.00 58.65 59.66 1jx6 h GLN 116 Cb 0.22 -0.04 -0.01 0.00 0.21 0.00 0.00 27.48 27.86 1jx6 h GLN 116 CO -0.21 0.11 0.08 1.03 -1.93 0.00 0.00 178.83 177.92 1jx6 h SER 117 N 0.18 0.19 -0.38 -0.69 0.87 -0.49 -1.39 113.55 111.84 1jx6 h SER 117 Ca 0.15 -0.10 -0.09 0.00 -1.23 0.00 0.00 61.79 60.52 1jx6 h SER 117 Cb 0.16 -0.05 -0.02 0.00 -0.44 0.00 0.00 62.40 62.05 1jx6 h SER 117 CO -0.20 0.24 -0.08 -0.07 -0.53 0.00 0.00 176.83 176.19 1jx6 h LEU 118 N 0.14 0.81 -0.54 2.23 3.38 -0.48 -2.44 115.31 118.41 1jx6 h LEU 118 Ca 0.05 -0.23 -0.15 0.00 0.09 0.00 0.00 57.88 57.64 1jx6 h LEU 118 Cb 0.09 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.61 1jx6 h LEU 118 CO -0.01 0.92 -0.44 0.28 0.09 0.00 0.00 178.44 179.28 1jx6 h SER 119 N 0.75 0.74 -0.46 -0.43 0.02 -0.44 -1.74 113.55 111.98 1jx6 h SER 119 Ca 0.13 -0.35 -0.07 0.00 -0.84 0.00 0.00 61.79 60.66 1jx6 h SER 119 Cb 0.57 -0.21 -0.02 0.00 0.14 0.00 0.00 62.40 62.89 1jx6 h SER 119 CO 0.04 1.08 0.02 -0.07 -1.14 0.00 0.00 176.83 176.75 1jx6 h LEU 120 N 0.55 0.77 -0.63 5.07 3.38 -1.13 -1.39 115.31 121.93 1jx6 h LEU 120 Ca 0.04 -0.29 -0.08 0.00 0.09 0.00 0.00 57.88 57.64 1jx6 h LEU 120 Cb 0.99 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 41.51 1jx6 h LEU 120 CO 0.09 0.88 0.09 0.24 0.09 0.00 0.00 178.44 179.83 1jx6 h MET 121 N 0.65 1.05 -0.32 1.13 2.86 -1.39 -2.42 114.93 116.48 1jx6 h MET 121 Ca 0.13 -0.29 -0.03 0.00 -2.06 0.00 0.00 59.70 57.46 1jx6 h MET 121 Cb 0.46 -0.12 -0.02 0.00 0.06 0.00 0.00 31.60 31.99 1jx6 h MET 121 CO 0.02 0.98 0.08 1.49 1.06 0.00 0.00 176.91 180.54 1jx6 h GLU 122 N 0.96 0.46 -0.88 1.72 4.57 -1.13 -0.61 114.58 119.68 1jx6 h GLU 122 Ca 0.19 -0.07 -0.01 0.00 -1.18 0.00 0.00 59.36 58.29 1jx6 h GLU 122 Cb 0.45 -0.08 -0.04 0.00 -0.16 0.00 0.00 28.75 28.91 1jx6 h GLU 122 CO 0.01 0.43 0.52 0.00 -1.18 0.00 0.00 179.01 178.80 1jx6 h ALA 123 N 1.63 1.12 0.01 2.92 0.00 -0.76 -0.96 119.26 123.22 1jx6 h ALA 123 Ca 0.11 -0.10 -0.22 0.00 0.00 0.00 0.00 54.91 54.70 1jx6 h ALA 123 Cb 0.18 -0.35 -0.00 0.00 0.00 0.00 0.00 17.79 17.61 1jx6 h ALA 123 CO -0.00 0.59 -0.93 -0.07 0.00 0.00 0.00 179.25 178.83 1jx6 h LEU 124 N 1.21 0.41 -1.15 0.00 3.38 -1.21 -2.95 115.31 115.01 1jx6 h LEU 124 Ca 0.31 -0.34 -0.03 0.00 0.09 0.00 0.00 57.88 57.92 1jx6 h LEU 124 Cb -0.04 -0.13 -0.03 0.00 0.09 0.00 0.00 40.66 40.56 1jx6 h LEU 124 CO -0.06 1.14 0.27 0.11 0.09 0.00 0.00 178.44 179.99 1jx6 h LYS 125 N 0.17 0.87 -0.01 1.13 1.57 -0.68 -1.28 116.57 118.33 1jx6 h LYS 125 Ca -0.07 -0.12 0.00 0.00 -1.87 0.00 0.00 60.65 58.59 1jx6 h LYS 125 Cb 1.57 -0.16 0.00 0.00 0.08 0.00 0.00 32.23 33.72 1jx6 h LYS 125 CO 0.15 0.69 0.00 -1.13 -0.57 0.00 0.00 179.45 178.59 1jx6 n SER 126 N -4.34 0.22 -3.72 0.86 3.41 -0.41 -4.92 113.62 104.72 1jx6 n SER 126 Ca 0.05 -1.31 -0.24 0.00 -0.26 0.00 0.00 58.87 57.12 1jx6 n SER 126 Cb 0.15 -0.01 0.03 0.00 -0.26 0.00 0.00 64.21 64.11 1jx6 n SER 126 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 1jx6 n LYS 127 N -0.72 -3.60 -1.86 4.33 4.01 -0.48 -4.93 118.16 114.91 1jx6 n LYS 127 Ca 0.18 0.55 -0.35 0.00 -0.51 0.00 0.00 58.31 58.18 1jx6 n LYS 127 Cb 0.12 -4.85 0.05 0.00 -0.51 0.00 0.00 35.03 29.83 1jx6 n LYS 127 CO 0.00 0.00 0.00 -1.12 -1.11 0.00 0.00 177.40 175.17 1jx6 s SER 128 N -4.11 4.96 0.05 4.39 0.01 -1.12 -4.94 113.70 112.94 1jx6 s SER 128 Ca 0.13 2.36 -0.01 0.00 1.31 0.00 0.00 55.95 59.74 1jx6 s SER 128 Cb -0.04 -2.59 -0.27 0.00 0.21 0.00 0.00 66.02 63.33 1jx6 s SER 128 CO 0.83 -1.75 1.05 0.44 0.41 0.00 0.00 173.24 174.22 1jx6 h ASP 129 N 0.57 0.32 -3.57 2.44 3.32 -1.24 -3.39 116.42 114.87 1jx6 h ASP 129 Ca -0.50 -0.38 -0.34 0.00 0.02 0.00 0.00 57.03 55.83 1jx6 h ASP 129 Cb 1.30 -0.10 -0.33 0.00 0.22 0.00 0.00 39.33 40.41 1jx6 h ASP 129 CO 0.54 1.31 -0.75 -0.31 -1.72 0.00 0.00 179.24 178.31 1jx6 s TYR 130 N -2.65 0.37 -0.17 4.55 1.51 -0.97 -1.73 117.35 118.26 1jx6 s TYR 130 Ca -0.05 -0.04 0.01 0.00 -1.01 0.00 0.00 57.07 55.98 1jx6 s TYR 130 Cb 0.08 -0.40 0.01 0.00 -0.11 0.00 0.00 41.96 41.54 1jx6 s TYR 130 CO 0.86 -0.11 -0.19 -1.17 -1.11 0.00 0.00 175.55 173.83 1jx6 s LEU 131 N 0.77 2.22 -0.17 -1.29 0.20 -0.25 -1.39 118.68 118.77 1jx6 s LEU 131 Ca -0.08 -0.60 -0.00 0.00 0.69 0.00 0.00 54.13 54.14 1jx6 s LEU 131 Cb -0.11 -1.50 0.00 0.00 -0.43 0.00 0.00 46.19 44.15 1jx6 s LEU 131 CO -0.01 0.03 -0.14 -0.63 -0.29 0.00 0.00 176.35 175.30 1jx6 s ILE 132 N 1.14 2.67 0.06 6.68 1.01 0.26 -1.37 121.20 131.65 1jx6 s ILE 132 Ca 0.01 -0.76 -0.02 0.00 0.00 0.00 0.00 60.65 59.88 1jx6 s ILE 132 Cb -0.14 -2.14 0.01 0.00 0.01 0.00 0.00 42.46 40.20 1jx6 s ILE 132 CO -0.08 0.51 0.12 2.22 0.00 0.00 0.00 174.94 177.71 1jx6 n PHE 133 N 4.26 -1.22 -4.35 3.97 -1.74 -0.77 -1.00 117.46 116.61 1jx6 n PHE 133 Ca -0.19 -0.29 -0.18 0.00 -0.56 0.00 0.00 57.45 56.23 1jx6 n PHE 133 Cb 0.51 0.15 -0.10 0.00 1.52 0.00 0.00 39.48 41.56 1jx6 n PHE 133 CO 0.00 0.00 0.00 -0.08 -0.56 0.00 0.00 176.76 176.12 1jx6 s THR 134 N -2.86 1.02 -0.05 1.97 -1.32 -1.26 -0.62 115.64 112.53 1jx6 s THR 134 Ca 0.02 -2.03 -0.00 0.00 -1.21 0.00 0.00 61.69 58.47 1jx6 s THR 134 Cb -0.01 -2.43 0.03 0.00 -1.51 0.00 0.00 72.50 68.58 1jx6 s THR 134 CO 0.02 -0.25 0.01 -0.76 -2.21 0.00 0.00 174.62 171.42 1jx6 s LEU 135 N -3.33 0.83 0.00 9.08 1.02 -1.26 -4.97 118.68 120.05 1jx6 s LEU 135 Ca 0.30 -0.04 0.00 0.00 0.02 0.00 0.00 54.13 54.41 1jx6 s LEU 135 Cb 0.06 -0.30 0.00 0.00 0.02 0.00 0.00 46.19 45.97 1jx6 s LEU 135 CO 0.10 -0.15 0.00 -0.67 0.02 0.00 0.00 176.35 175.65 1jx6 n ASP 136 N 4.64 3.14 -4.63 2.29 2.03 -1.26 -4.92 116.55 117.84 1jx6 n ASP 136 Ca -0.16 0.00 -0.32 0.00 0.52 0.00 0.00 54.79 54.83 1jx6 n ASP 136 Cb 0.50 0.60 -0.08 0.00 -0.72 0.00 0.00 41.12 41.42 1jx6 n ASP 136 CO 0.00 0.00 0.00 -0.89 -1.92 0.00 0.00 177.20 174.39 1jx6 s THR 137 N -1.29 1.05 -0.97 5.18 2.01 -1.26 -0.86 115.64 119.50 1jx6 s THR 137 Ca 0.00 -2.00 0.28 0.00 0.31 0.00 0.00 61.69 60.28 1jx6 s THR 137 Cb 0.00 -2.20 0.19 0.00 0.01 0.00 0.00 72.50 70.50 1jx6 s THR 137 CO 0.00 0.00 1.80 0.35 -0.69 0.00 0.00 174.62 176.08 1jx6 n THR 138 N -1.19 0.05 -0.35 -0.82 -2.24 -1.26 -4.42 114.28 104.05 1jx6 n THR 138 Ca -0.17 -0.03 0.10 0.00 -2.27 0.00 0.00 64.05 61.69 1jx6 n THR 138 Cb 0.67 -0.35 0.21 0.00 -2.10 0.00 0.00 70.33 68.76 1jx6 n THR 138 CO 0.00 0.00 0.00 -1.14 -0.57 0.00 0.00 175.07 173.36 1jx6 n ARG 139 N -1.57 -0.08 -0.61 -0.78 0.63 -1.26 -2.05 116.66 110.93 1jx6 n ARG 139 Ca 0.06 1.52 0.08 0.00 -0.92 0.00 0.00 57.85 58.60 1jx6 n ARG 139 Cb 0.35 -2.34 0.33 0.00 0.45 0.00 0.00 32.46 31.25 1jx6 n ARG 139 CO 0.00 0.00 0.00 0.72 -2.51 0.00 0.00 177.63 175.84 1jx6 n HIS 140 N -5.56 1.42 -0.07 -0.14 8.25 -1.26 -4.59 115.22 113.27 1jx6 n HIS 140 Ca 0.19 -0.71 -0.11 0.00 -0.26 0.00 0.00 57.72 56.84 1jx6 n HIS 140 Cb 0.62 -0.32 -0.04 0.00 1.12 0.00 0.00 29.99 31.37 1jx6 n HIS 140 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1jx6 h ARG 141 N 3.26 0.37 -0.16 -0.41 2.47 -1.71 -1.01 114.38 117.19 1jx6 h ARG 141 Ca 0.00 -0.08 -0.05 0.00 -1.26 0.00 0.00 59.98 58.59 1jx6 h ARG 141 Cb 1.54 -0.05 -0.01 0.00 -1.65 0.00 0.00 29.97 29.79 1jx6 h ARG 141 CO 0.28 0.46 -0.13 0.87 0.56 0.00 0.00 179.97 182.02 1jx6 h LYS 142 N 0.21 0.26 -0.30 0.04 1.57 -1.81 -0.41 116.57 116.13 1jx6 h LYS 142 Ca 0.08 -0.06 -0.02 0.00 -1.87 0.00 0.00 60.65 58.78 1jx6 h LYS 142 Cb 0.25 -0.03 -0.01 0.00 0.08 0.00 0.00 32.23 32.51 1jx6 h LYS 142 CO -0.00 0.40 0.13 0.35 -0.57 0.00 0.00 179.45 179.75 1jx6 h PHE 143 N 0.25 0.46 -0.25 -1.35 3.57 -1.77 -1.10 116.94 116.76 1jx6 h PHE 143 Ca 0.05 -0.03 0.02 0.00 3.53 0.00 0.00 57.97 61.54 1jx6 h PHE 143 Cb 0.39 -0.14 -0.02 0.00 2.79 0.00 0.00 35.95 38.96 1jx6 h PHE 143 CO 0.01 0.44 0.10 0.28 -2.23 0.00 0.00 178.31 176.91 1jx6 h VAL 144 N 0.35 0.95 -0.88 1.41 2.07 -0.33 -1.68 116.25 118.14 1jx6 h VAL 144 Ca 0.10 -0.07 0.09 0.00 0.82 0.00 0.00 66.70 67.64 1jx6 h VAL 144 Cb 0.17 0.72 -0.07 0.00 -1.52 0.00 0.00 31.29 30.59 1jx6 h VAL 144 CO -0.01 0.04 0.53 -0.33 0.02 0.00 0.00 177.57 177.82 1jx6 h GLU 145 N 0.22 0.87 -0.48 1.57 5.08 -0.85 -0.42 114.58 120.58 1jx6 h GLU 145 Ca 0.11 -0.05 -0.01 0.00 -1.00 0.00 0.00 59.36 58.41 1jx6 h GLU 145 Cb 0.06 -0.20 -0.02 0.00 0.50 0.00 0.00 28.75 29.09 1jx6 h GLU 145 CO -0.10 0.58 0.26 1.25 -1.00 0.00 0.00 179.01 180.00 1jx6 h HIS 146 N 0.90 0.65 -0.12 4.33 2.76 -0.47 -0.74 115.15 122.47 1jx6 h HIS 146 Ca 0.41 -0.01 -0.00 0.00 -2.20 0.00 0.00 60.37 58.56 1jx6 h HIS 146 Cb 0.33 -0.21 -0.01 0.00 1.55 0.00 0.00 27.41 29.07 1jx6 h HIS 146 CO -0.04 0.48 0.06 0.28 -1.30 0.00 0.00 177.93 177.41 1jx6 h VAL 147 N 0.63 1.10 -0.46 5.26 2.07 -0.45 -1.19 116.25 123.21 1jx6 h VAL 147 Ca 0.17 -0.27 -0.01 0.00 0.82 0.00 0.00 66.70 67.41 1jx6 h VAL 147 Cb 0.05 1.07 -0.02 0.00 -1.52 0.00 0.00 31.29 30.86 1jx6 h VAL 147 CO -0.03 0.09 0.26 -0.07 0.02 0.00 0.00 177.57 177.84 1jx6 h LEU 148 N 0.08 0.56 0.12 2.57 3.38 -0.93 -2.42 115.31 118.67 1jx6 h LEU 148 Ca 0.04 -0.08 -0.28 0.00 0.09 0.00 0.00 57.88 57.65 1jx6 h LEU 148 Cb 0.08 -0.14 -0.00 0.00 0.09 0.00 0.00 40.66 40.69 1jx6 h LEU 148 CO -0.01 0.48 -1.31 0.44 0.09 0.00 0.00 178.44 178.13 1jx6 h ASP 149 N 0.60 0.39 0.00 -0.43 3.32 -1.09 -3.40 116.42 115.80 1jx6 h ASP 149 Ca 0.16 -0.45 0.00 0.00 0.02 0.00 0.00 57.03 56.76 1jx6 h ASP 149 Cb 0.03 -0.13 0.00 0.00 0.22 0.00 0.00 39.33 39.46 1jx6 h ASP 149 CO -0.03 1.36 0.00 -1.20 -1.72 0.00 0.00 179.24 177.65 1jx6 n SER 150 N -3.50 1.81 -4.32 6.45 7.64 -0.46 -5.07 113.62 116.17 1jx6 n SER 150 Ca -0.10 -1.85 -0.20 0.00 1.01 0.00 0.00 58.87 57.73 1jx6 n SER 150 Cb 1.03 0.00 -0.10 0.00 -1.01 0.00 0.00 64.21 64.13 1jx6 n SER 150 CO 0.00 0.00 0.00 0.42 -3.01 0.00 0.00 175.04 172.45 1jx6 s THR 151 N -0.85 0.79 -1.81 0.44 -4.23 -0.91 -5.02 115.64 104.05 1jx6 s THR 151 Ca 0.00 -2.00 0.19 0.00 -1.18 0.00 0.00 61.69 58.70 1jx6 s THR 151 Cb 0.00 -2.66 0.49 0.00 1.34 0.00 0.00 72.50 71.67 1jx6 s THR 151 CO 0.00 0.00 1.41 0.59 -0.54 0.00 0.00 174.62 176.08 1jx6 n ASN 152 N -0.68 3.51 -4.69 3.99 4.13 -1.26 -4.80 115.26 115.47 1jx6 n ASN 152 Ca -0.01 -1.97 -0.42 0.00 1.68 0.00 0.00 54.58 53.85 1jx6 n ASN 152 Cb 0.66 -0.35 -0.03 0.00 -1.54 0.00 0.00 39.78 38.52 1jx6 n ASN 152 CO 0.00 0.00 0.00 -0.89 0.28 0.00 0.00 177.26 176.65 1jx6 s THR 153 N -1.11 4.84 0.19 3.41 2.01 -1.26 -4.91 115.64 118.80 1jx6 s THR 153 Ca 0.39 1.87 -0.18 0.00 0.31 0.00 0.00 61.69 64.07 1jx6 s THR 153 Cb 0.21 -4.24 -0.08 0.00 0.01 0.00 0.00 72.50 68.40 1jx6 s THR 153 CO 0.28 0.04 0.67 -0.54 -0.69 0.00 0.00 174.62 174.38 1jx6 s LYS 154 N 1.91 4.19 -0.13 4.92 1.02 -0.70 -4.77 119.74 126.17 1jx6 s LYS 154 Ca 0.44 0.77 -0.02 0.00 0.02 0.00 0.00 55.97 57.19 1jx6 s LYS 154 Cb -0.18 -2.92 -0.02 0.00 -0.52 0.00 0.00 37.83 34.19 1jx6 s LYS 154 CO 0.17 0.43 -0.08 -0.51 -0.92 0.00 0.00 175.35 174.44 1jx6 s LEU 155 N -1.90 3.04 -0.21 3.17 1.43 -1.26 -1.09 118.68 121.86 1jx6 s LEU 155 Ca 0.41 -0.18 -0.00 0.00 -1.03 0.00 0.00 54.13 53.32 1jx6 s LEU 155 Cb -0.17 -1.70 0.02 0.00 0.03 0.00 0.00 46.19 44.37 1jx6 s LEU 155 CO 0.21 0.20 -0.13 -0.63 0.23 0.00 0.00 176.35 176.23 1jx6 s ILE 156 N 0.15 2.52 -0.42 -0.59 1.01 -0.47 -1.82 121.20 121.58 1jx6 s ILE 156 Ca -0.04 -0.96 -0.13 0.00 0.00 0.00 0.00 60.65 59.53 1jx6 s ILE 156 Cb -0.14 -2.19 0.05 0.00 0.01 0.00 0.00 42.46 40.19 1jx6 s ILE 156 CO 0.04 0.37 0.29 -0.76 0.00 0.00 0.00 174.94 174.87 1jx6 s LEU 157 N 1.31 5.15 0.34 2.97 1.43 0.57 -1.85 118.68 128.59 1jx6 s LEU 157 Ca 0.02 -1.17 -0.21 0.00 -1.03 0.00 0.00 54.13 51.74 1jx6 s LEU 157 Cb -0.15 -2.09 -0.10 0.00 0.03 0.00 0.00 46.19 43.88 1jx6 s LEU 157 CO -0.08 -0.50 0.86 -1.58 0.23 0.00 0.00 176.35 175.28 1jx6 s GLN 158 N 1.58 4.29 -1.00 1.70 2.00 0.21 -1.38 119.66 127.06 1jx6 s GLN 158 Ca 0.03 1.04 0.00 0.00 -2.00 0.00 0.00 55.36 54.43 1jx6 s GLN 158 Cb -0.21 -2.55 0.00 0.00 0.80 0.00 0.00 33.01 31.05 1jx6 s GLN 158 CO 0.06 0.18 0.00 -1.71 -0.50 0.00 0.00 175.29 173.33 1jx6 n ASN 159 N 0.03 -3.80 -3.72 6.67 5.15 0.92 -4.45 115.26 116.08 1jx6 n ASN 159 Ca 0.03 0.07 -0.13 0.00 -0.60 0.00 0.00 54.58 53.94 1jx6 n ASN 159 Cb 0.52 -2.82 -0.14 0.00 -0.53 0.00 0.00 39.78 36.81 1jx6 n ASN 159 CO 0.00 0.00 0.00 -0.51 1.40 0.00 0.00 177.26 178.15 1jx6 s ILE 160 N -2.51 -0.12 -0.07 -1.44 2.07 -1.16 -4.93 121.20 113.03 1jx6 s ILE 160 Ca 0.00 0.20 0.11 0.00 -1.41 0.00 0.00 60.65 59.54 1jx6 s ILE 160 Cb 0.00 -0.35 0.17 0.00 0.13 0.00 0.00 42.46 42.40 1jx6 s ILE 160 CO 0.00 0.08 1.08 0.35 -1.91 0.00 0.00 174.94 174.54 1jx6 n THR 161 N 4.50 1.11 -3.90 4.00 -2.24 -1.26 -2.38 114.28 114.10 1jx6 n THR 161 Ca -0.21 -1.33 -0.30 0.00 -2.27 0.00 0.00 64.05 59.94 1jx6 n THR 161 Cb 0.52 0.09 -0.14 0.00 -2.10 0.00 0.00 70.33 68.69 1jx6 n THR 161 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 1jx6 s THR 162 N -1.68 2.02 0.23 4.28 -4.23 -1.26 -4.22 115.64 110.79 1jx6 s THR 162 Ca 0.18 -2.56 -0.30 0.00 -1.18 0.00 0.00 61.69 57.83 1jx6 s THR 162 Cb 0.16 -2.45 -0.15 0.00 1.34 0.00 0.00 72.50 71.40 1jx6 s THR 162 CO 0.02 -0.73 1.11 -2.65 -0.54 0.00 0.00 174.62 171.84 1jx6 n PRO 163 N 3.85 1.33 -2.44 3.99 -0.02 -1.25 -4.45 135.00 136.01 1jx6 n PRO 163 Ca 0.04 0.47 -0.43 0.00 -2.02 0.00 0.00 63.50 61.56 1jx6 n PRO 163 Cb 0.38 -1.92 -0.02 0.00 -0.02 0.00 0.00 33.50 31.91 1jx6 n PRO 163 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1jx6 s VAL 164 N -0.57 4.31 0.23 -1.45 1.01 -1.26 -0.71 120.40 121.95 1jx6 s VAL 164 Ca 0.66 1.57 -0.07 0.00 0.00 0.00 0.00 61.98 64.14 1jx6 s VAL 164 Cb -0.76 -4.04 0.18 0.00 0.00 0.00 0.00 36.38 31.76 1jx6 s VAL 164 CO 0.55 -0.17 1.83 0.03 0.00 0.00 0.00 175.10 177.34 1jx6 h ARG 165 N 8.22 0.79 0.00 2.72 3.08 -1.72 -1.79 114.38 125.69 1jx6 h ARG 165 Ca -0.26 -0.05 0.00 0.00 0.07 0.00 0.00 59.98 59.75 1jx6 h ARG 165 Cb 1.10 -0.18 0.00 0.00 0.08 0.00 0.00 29.97 30.97 1jx6 h ARG 165 CO 0.98 0.52 0.00 -0.85 -1.07 0.00 0.00 179.97 179.55 1jx6 n GLU 166 N -4.71 0.03 -0.50 0.04 0.28 -1.26 -1.00 120.64 113.52 1jx6 n GLU 166 Ca 0.11 0.53 0.08 0.00 -0.16 0.00 0.00 57.16 57.72 1jx6 n GLU 166 Cb 0.19 -1.61 0.28 0.00 1.43 0.00 0.00 31.44 31.73 1jx6 n GLU 166 CO 0.00 0.00 0.00 0.91 -0.16 0.00 0.00 177.13 177.88 1jx6 n TRP 167 N -1.68 1.13 -0.13 -1.84 8.01 -0.67 -4.70 117.44 117.57 1jx6 n TRP 167 Ca -0.00 -0.73 0.25 0.00 -1.31 0.00 0.00 57.50 55.71 1jx6 n TRP 167 Cb 0.01 -0.27 0.69 0.00 -2.01 0.00 0.00 31.31 29.72 1jx6 n TRP 167 CO 0.00 0.00 0.00 -0.44 -1.01 0.00 0.00 177.69 176.24 1jx6 h ASP 168 N 2.63 0.05 1.69 -0.99 3.32 -1.16 -0.23 116.42 121.73 1jx6 h ASP 168 Ca 0.00 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 57.04 1jx6 h ASP 168 Cb 1.39 -0.00 -0.00 0.00 0.22 0.00 0.00 39.33 40.93 1jx6 h ASP 168 CO 0.22 0.02 -0.07 0.11 -1.72 0.00 0.00 179.24 177.81 1jx6 h LYS 169 N 0.05 0.00 -1.10 3.56 1.79 -1.85 -3.40 116.57 115.62 1jx6 h LYS 169 Ca 0.37 0.00 -0.09 0.00 -2.18 0.00 0.00 60.65 58.76 1jx6 h LYS 169 Cb 1.42 0.00 -0.20 0.00 -1.58 0.00 0.00 32.23 31.87 1jx6 h LYS 169 CO -0.02 0.07 -0.47 -1.58 -1.08 0.00 0.00 179.45 176.36 1jx6 s HIS 170 N -3.30 -1.60 0.36 -1.35 2.46 -0.14 -5.15 115.29 106.57 1jx6 s HIS 170 Ca 0.05 0.20 -0.12 0.00 0.47 0.00 0.00 55.06 55.66 1jx6 s HIS 170 Cb 0.06 0.24 -0.07 0.00 -0.13 0.00 0.00 32.58 32.68 1jx6 s HIS 170 CO 0.65 -1.15 0.74 -0.65 -2.47 0.00 0.00 174.74 171.86 1jx6 s GLN 171 N 1.86 3.86 0.94 2.88 -1.52 -0.94 -4.84 119.66 121.90 1jx6 s GLN 171 Ca 0.16 0.52 -0.11 0.00 -1.95 0.00 0.00 55.36 53.98 1jx6 s GLN 171 Cb -0.06 -2.43 0.11 0.00 -0.22 0.00 0.00 33.01 30.42 1jx6 s GLN 171 CO -0.08 0.06 0.85 -2.30 -0.25 0.00 0.00 175.29 173.57 1jx6 n PRO 172 N -0.88 -0.44 -0.26 2.91 -0.02 -1.26 -4.89 135.00 130.16 1jx6 n PRO 172 Ca 0.03 -0.07 0.04 0.00 -2.02 0.00 0.00 63.50 61.47 1jx6 n PRO 172 Cb 0.54 -2.17 0.17 0.00 -0.02 0.00 0.00 33.50 32.02 1jx6 n PRO 172 CO 0.00 0.00 0.00 0.35 1.98 0.00 0.00 175.50 177.83 1jx6 h PHE 173 N -1.79 0.61 -2.11 6.00 3.57 -1.80 -3.44 116.94 117.99 1jx6 h PHE 173 Ca -0.44 0.03 -0.02 0.00 3.53 0.00 0.00 57.97 61.08 1jx6 h PHE 173 Cb 1.28 -0.16 -0.22 0.00 2.79 0.00 0.00 35.95 39.64 1jx6 h PHE 173 CO 0.45 0.15 0.01 -1.17 -2.23 0.00 0.00 178.31 175.53 1jx6 s LEU 174 N -10.38 -0.71 -0.21 0.59 2.96 -0.76 -4.53 118.68 105.63 1jx6 s LEU 174 Ca -0.12 1.39 -0.06 0.00 -0.22 0.00 0.00 54.13 55.12 1jx6 s LEU 174 Cb 0.20 2.26 -0.03 0.00 0.50 0.00 0.00 46.19 49.12 1jx6 s LEU 174 CO 0.77 -0.23 0.02 -0.31 -1.32 0.00 0.00 176.35 175.27 1jx6 s TYR 175 N 1.11 3.07 0.01 5.38 1.51 0.36 -0.32 117.35 128.46 1jx6 s TYR 175 Ca -0.06 -0.41 0.00 0.00 -1.01 0.00 0.00 57.07 55.59 1jx6 s TYR 175 Cb -0.05 -2.12 -0.01 0.00 -0.11 0.00 0.00 41.96 39.67 1jx6 s TYR 175 CO -0.11 -0.24 -0.03 0.54 -1.11 0.00 0.00 175.55 174.61 1jx6 s VAL 176 N 1.10 0.15 -3.71 0.71 0.11 -0.48 -1.37 120.40 116.92 1jx6 s VAL 176 Ca 0.03 -0.42 0.00 0.00 -2.93 0.00 0.00 61.98 58.66 1jx6 s VAL 176 Cb -0.14 -0.20 0.00 0.00 -1.53 0.00 0.00 36.38 34.51 1jx6 s VAL 176 CO 0.02 -0.17 0.00 0.61 -3.33 0.00 0.00 175.10 172.23 1jx6 n GLY 177 N 2.45 -0.51 3.06 6.54 0.00 -0.88 -0.05 105.19 115.80 1jx6 n GLY 177 Ca -0.17 -0.95 -0.32 0.00 0.00 0.00 0.00 46.02 44.59 1jx6 n GLY 177 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1jx6 s PHE 178 N -3.10 3.41 -0.48 1.61 0.40 -1.26 -0.85 117.98 117.71 1jx6 s PHE 178 Ca 0.00 -2.50 -0.45 0.00 -0.60 0.00 0.00 56.93 53.38 1jx6 s PHE 178 Cb 0.00 -2.21 -0.19 0.00 0.51 0.00 0.00 43.02 41.13 1jx6 s PHE 178 CO 0.00 -0.90 1.80 -3.47 0.70 0.00 0.00 175.22 173.35 1jx6 n ASP 179 N 4.39 1.20 -0.25 1.36 2.03 -1.26 -4.87 116.55 119.14 1jx6 n ASP 179 Ca -0.09 1.00 -0.06 0.00 0.52 0.00 0.00 54.79 56.16 1jx6 n ASP 179 Cb 0.42 -0.92 0.05 0.00 -0.72 0.00 0.00 41.12 39.95 1jx6 n ASP 179 CO 0.00 0.00 0.00 0.45 -1.92 0.00 0.00 177.20 175.73 1jx6 h HIS 180 N 6.66 0.95 -0.47 -0.67 3.86 -1.94 -2.08 115.15 121.46 1jx6 h HIS 180 Ca -0.33 -0.02 -0.01 0.00 -1.16 0.00 0.00 60.37 58.85 1jx6 h HIS 180 Cb 1.38 -0.31 -0.02 0.00 1.06 0.00 0.00 27.41 29.52 1jx6 h HIS 180 CO 0.77 0.67 0.25 0.00 0.86 0.00 0.00 177.93 180.48 1jx6 h ALA 181 N 1.20 0.60 0.07 2.45 0.00 -1.90 -0.88 119.26 120.80 1jx6 h ALA 181 Ca 0.25 -0.10 -0.00 0.00 0.00 0.00 0.00 54.91 55.06 1jx6 h ALA 181 Cb 0.02 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 17.62 1jx6 h ALA 181 CO -0.04 0.14 -0.03 1.49 0.00 0.00 0.00 179.25 180.81 1jx6 h GLU 182 N 0.62 -0.09 -0.84 0.00 4.57 -1.88 0.13 114.58 117.09 1jx6 h GLU 182 Ca 0.16 0.01 0.04 0.00 -1.18 0.00 0.00 59.36 58.39 1jx6 h GLU 182 Cb 0.08 0.02 -0.05 0.00 -0.16 0.00 0.00 28.75 28.63 1jx6 h GLU 182 CO -0.02 0.03 0.53 0.78 -1.18 0.00 0.00 179.01 179.15 1jx6 h GLY 183 N -0.18 1.24 1.76 1.92 0.00 -1.25 -0.33 103.07 106.22 1jx6 h GLY 183 Ca -0.01 -0.40 -0.13 0.00 0.00 0.00 0.00 47.33 46.79 1jx6 h GLY 183 CO 0.01 0.32 -0.50 1.76 0.00 0.00 0.00 176.54 178.13 1jx6 h SER 184 N 1.02 0.28 -0.30 0.19 0.02 -1.00 -2.06 113.55 111.71 1jx6 h SER 184 Ca 0.35 -0.14 -0.13 0.00 -0.84 0.00 0.00 61.79 61.03 1jx6 h SER 184 Cb 0.07 -0.08 -0.01 0.00 0.14 0.00 0.00 62.40 62.52 1jx6 h SER 184 CO -0.14 0.74 -0.30 0.03 -1.14 0.00 0.00 176.83 176.02 1jx6 h ARG 185 N 0.21 0.81 -0.54 3.45 3.08 0.16 -0.56 114.38 121.00 1jx6 h ARG 185 Ca 0.01 -0.37 -0.04 0.00 0.07 0.00 0.00 59.98 59.65 1jx6 h ARG 185 Cb 0.96 -0.01 -0.02 0.00 0.08 0.00 0.00 29.97 30.98 1jx6 h ARG 185 CO 0.08 1.01 0.19 0.93 -1.07 0.00 0.00 179.97 181.11 1jx6 h GLU 186 N 0.69 0.81 -0.60 0.04 5.08 -0.87 -0.66 114.58 119.08 1jx6 h GLU 186 Ca 0.08 -0.16 -0.07 0.00 -1.00 0.00 0.00 59.36 58.21 1jx6 h GLU 186 Cb 0.85 -0.13 -0.02 0.00 0.50 0.00 0.00 28.75 29.95 1jx6 h GLU 186 CO 0.07 0.73 0.09 -0.07 -1.00 0.00 0.00 179.01 178.83 1jx6 h LEU 187 N 0.73 0.95 -0.98 1.33 3.38 -1.21 -2.43 115.31 117.09 1jx6 h LEU 187 Ca 0.18 -0.26 -0.01 0.00 0.09 0.00 0.00 57.88 57.87 1jx6 h LEU 187 Cb 0.23 -0.25 -0.04 0.00 0.09 0.00 0.00 40.66 40.69 1jx6 h LEU 187 CO -0.01 0.98 0.51 0.00 0.09 0.00 0.00 178.44 180.01 1jx6 h ALA 188 N 1.01 1.23 -0.70 1.53 0.00 -0.74 -1.05 119.26 120.55 1jx6 h ALA 188 Ca 0.18 -0.11 -0.06 0.00 0.00 0.00 0.00 54.91 54.92 1jx6 h ALA 188 Cb 0.43 -0.36 -0.03 0.00 0.00 0.00 0.00 17.79 17.83 1jx6 h ALA 188 CO 0.01 0.64 0.20 1.15 0.00 0.00 0.00 179.25 181.26 1jx6 h THR 189 N 1.24 1.26 0.19 0.00 2.02 -0.94 -0.61 112.91 116.08 1jx6 h THR 189 Ca 0.32 -0.91 -0.01 0.00 0.77 0.00 0.00 66.41 66.58 1jx6 h THR 189 Cb -0.02 0.52 0.00 0.00 -1.74 0.00 0.00 68.15 66.92 1jx6 h THR 189 CO -0.06 0.35 -0.09 -0.08 0.37 0.00 0.00 175.52 176.01 1jx6 h GLU 190 N 1.03 -0.25 -0.29 6.66 4.57 -0.90 -2.42 114.58 122.99 1jx6 h GLU 190 Ca 0.22 0.02 0.00 0.00 -1.18 0.00 0.00 59.36 58.42 1jx6 h GLU 190 Cb 0.32 0.06 -0.01 0.00 -0.16 0.00 0.00 28.75 28.96 1jx6 h GLU 190 CO -0.00 0.01 0.19 0.74 -1.18 0.00 0.00 179.01 178.76 1jx6 h PHE 191 N -0.49 0.36 0.00 0.92 -1.00 -1.16 -0.57 116.94 115.01 1jx6 h PHE 191 Ca -0.03 0.01 -0.02 0.00 2.81 0.00 0.00 57.97 60.74 1jx6 h PHE 191 Cb 0.38 -0.12 -0.00 0.00 3.61 0.00 0.00 35.95 39.81 1jx6 h PHE 191 CO 0.00 0.23 -0.10 0.78 -1.61 0.00 0.00 178.31 177.61 1jx6 h GLY 192 N 0.39 0.00 0.90 -1.45 0.00 -0.76 -1.61 103.07 100.54 1jx6 h GLY 192 Ca 0.11 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.44 1jx6 h GLY 192 CO -0.02 0.00 -1.02 0.28 0.00 0.00 0.00 176.54 175.77 1jx6 n LYS 193 N -4.29 0.53 0.02 4.80 5.02 -0.31 -4.17 118.16 119.76 1jx6 n LYS 193 Ca -0.03 0.08 -0.07 0.00 -2.02 0.00 0.00 58.31 56.27 1jx6 n LYS 193 Cb 0.18 -1.76 -0.13 0.00 -0.02 0.00 0.00 35.03 33.30 1jx6 n LYS 193 CO 0.00 0.00 0.00 0.74 -0.52 0.00 0.00 177.40 177.62 1jx6 h PHE 194 N 0.00 0.00 -3.43 2.13 0.05 -0.63 -3.47 116.94 111.59 1jx6 h PHE 194 Ca 0.00 0.00 -0.58 0.00 3.82 0.00 0.00 57.97 61.21 1jx6 h PHE 194 Cb 0.93 0.00 -0.19 0.00 2.00 0.00 0.00 35.95 38.69 1jx6 h PHE 194 CO 0.00 0.97 -0.81 -0.06 -0.18 0.00 0.00 178.31 178.23 1jx6 s PHE 195 N -2.67 1.98 0.80 -0.55 0.40 -0.67 -5.10 117.98 112.17 1jx6 s PHE 195 Ca -0.02 -0.42 -0.12 0.00 -0.60 0.00 0.00 56.93 55.77 1jx6 s PHE 195 Cb 0.09 -1.01 0.07 0.00 0.51 0.00 0.00 43.02 42.68 1jx6 s PHE 195 CO 0.82 0.35 1.13 -1.25 0.70 0.00 0.00 175.22 176.97 1jx6 s PRO 196 N -2.54 2.07 0.56 0.24 0.04 -1.26 -4.78 135.00 129.32 1jx6 s PRO 196 Ca 0.15 0.39 -0.20 0.00 0.04 0.00 0.00 61.00 61.38 1jx6 s PRO 196 Cb -0.07 -1.94 -0.06 0.00 0.04 0.00 0.00 34.50 32.47 1jx6 s PRO 196 CO 0.07 -1.58 1.09 1.63 0.04 0.00 0.00 177.00 178.25 1jx6 n LYS 197 N -3.36 1.20 -1.29 4.56 4.76 -1.26 -2.67 118.16 120.10 1jx6 n LYS 197 Ca 0.07 0.45 -0.10 0.00 -2.87 0.00 0.00 58.31 55.86 1jx6 n LYS 197 Cb 0.58 -2.26 -0.04 0.00 -1.84 0.00 0.00 35.03 31.47 1jx6 n LYS 197 CO 0.00 0.00 0.00 0.72 -1.37 0.00 0.00 177.40 176.75 1jx6 n HIS 198 N -1.33 0.00 -2.01 2.13 8.25 -0.93 -4.95 115.22 116.38 1jx6 n HIS 198 Ca 0.12 0.00 -0.41 0.00 -0.26 0.00 0.00 57.72 57.17 1jx6 n HIS 198 Cb 0.45 -2.02 -0.02 0.00 1.12 0.00 0.00 29.99 29.52 1jx6 n HIS 198 CO 0.00 0.00 0.00 0.99 0.64 0.00 0.00 176.34 177.97 1jx6 s THR 199 N -2.30 2.56 0.10 1.59 2.01 -1.09 -4.32 115.64 114.20 1jx6 s THR 199 Ca 0.00 0.52 -0.27 0.00 0.31 0.00 0.00 61.69 62.25 1jx6 s THR 199 Cb 0.00 -3.33 -0.06 0.00 0.01 0.00 0.00 72.50 69.12 1jx6 s THR 199 CO 0.00 0.10 0.84 -0.31 -0.69 0.00 0.00 174.62 174.56 1jx6 s TYR 200 N -0.54 3.81 0.21 4.92 1.51 -1.26 -0.74 117.35 125.26 1jx6 s TYR 200 Ca 0.55 1.63 -0.13 0.00 -1.01 0.00 0.00 57.07 58.12 1jx6 s TYR 200 Cb -0.42 -2.89 0.00 0.00 -0.11 0.00 0.00 41.96 38.54 1jx6 s TYR 200 CO 0.49 0.31 0.43 1.52 -1.11 0.00 0.00 175.55 177.20 1jx6 s TYR 201 N -0.32 0.23 0.09 2.71 -0.85 -0.97 -1.01 117.35 117.24 1jx6 s TYR 201 Ca 0.41 -0.59 0.03 0.00 -0.52 0.00 0.00 57.07 56.39 1jx6 s TYR 201 Cb -0.22 0.18 -0.04 0.00 0.38 0.00 0.00 41.96 42.26 1jx6 s TYR 201 CO 0.26 -0.89 -0.08 -1.12 -1.52 0.00 0.00 175.55 172.20 1jx6 s SER 202 N -2.96 1.23 -0.00 -0.18 0.01 -1.05 -0.04 113.70 110.70 1jx6 s SER 202 Ca 0.17 -0.90 0.07 0.00 1.31 0.00 0.00 55.95 56.61 1jx6 s SER 202 Cb 0.00 0.06 -0.02 0.00 0.21 0.00 0.00 66.02 66.27 1jx6 s SER 202 CO 0.03 -0.37 -0.23 -0.69 0.41 0.00 0.00 173.24 172.40 1jx6 s VAL 203 N -2.99 1.80 -0.32 3.43 1.01 0.04 -1.39 120.40 121.98 1jx6 s VAL 203 Ca 0.08 -1.04 -0.02 0.00 0.00 0.00 0.00 61.98 60.99 1jx6 s VAL 203 Cb 0.01 -1.51 0.06 0.00 0.00 0.00 0.00 36.38 34.94 1jx6 s VAL 203 CO -0.02 0.44 0.04 -0.76 0.00 0.00 0.00 175.10 174.80 1jx6 s LEU 204 N -0.70 4.16 1.01 3.92 1.43 0.10 -1.15 118.68 127.45 1jx6 s LEU 204 Ca 0.09 -1.41 -0.17 0.00 -1.03 0.00 0.00 54.13 51.61 1jx6 s LEU 204 Cb -0.09 -1.74 0.22 0.00 0.03 0.00 0.00 46.19 44.61 1jx6 s LEU 204 CO -0.00 -0.31 1.28 -0.31 0.23 0.00 0.00 176.35 177.24 1jx6 s TYR 205 N 1.23 1.39 0.00 0.29 4.12 0.71 -1.45 117.35 123.66 1jx6 s TYR 205 Ca -0.02 0.35 0.00 0.00 0.02 0.00 0.00 57.07 57.42 1jx6 s TYR 205 Cb -0.20 -4.00 0.00 0.00 -1.52 0.00 0.00 41.96 36.24 1jx6 s TYR 205 CO -0.02 -2.88 0.00 0.34 0.02 0.00 0.00 175.55 173.02 1jx6 n PHE 206 N -3.95 -0.02 -1.59 2.71 7.35 -1.26 -3.73 117.46 116.97 1jx6 n PHE 206 Ca 0.15 0.00 -0.29 0.00 -0.76 0.00 0.00 57.45 56.54 1jx6 n PHE 206 Cb 0.59 0.00 0.11 0.00 0.35 0.00 0.00 39.48 40.53 1jx6 n PHE 206 CO 0.00 0.00 0.00 -1.54 -0.76 0.00 0.00 176.76 174.46 1jx6 s SER 207 N -1.00 4.11 0.25 -2.13 1.04 -1.22 -1.90 113.70 112.84 1jx6 s SER 207 Ca 0.00 1.11 -0.31 0.00 0.48 0.00 0.00 55.95 57.23 1jx6 s SER 207 Cb 0.00 -1.76 -0.11 0.00 0.10 0.00 0.00 66.02 64.24 1jx6 s SER 207 CO 0.00 -2.19 1.62 -1.61 0.98 0.00 0.00 173.24 172.04 1jx6 s GLU 208 N -5.25 4.14 0.00 4.02 2.02 -1.26 -4.36 118.70 118.01 1jx6 s GLU 208 Ca 0.62 2.55 0.00 0.00 0.02 0.00 0.00 54.97 58.16 1jx6 s GLU 208 Cb -0.14 -3.06 0.00 0.00 0.10 0.00 0.00 34.13 31.03 1jx6 s GLU 208 CO 0.53 -0.65 0.00 0.41 0.02 0.00 0.00 175.26 175.57 1jx6 n GLY 209 N 2.87 0.14 0.08 -1.39 0.00 -1.26 -4.90 105.19 100.74 1jx6 n GLY 209 Ca 0.11 -1.44 -0.12 0.00 0.00 0.00 0.00 46.02 44.56 1jx6 n GLY 209 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 1jx6 h TYR 210 N 0.00 -0.10 -0.52 1.61 3.20 -1.32 -1.53 116.97 118.32 1jx6 h TYR 210 Ca 0.00 -0.00 0.06 0.00 3.14 0.00 0.00 58.73 61.93 1jx6 h TYR 210 Cb 0.00 0.04 -0.05 0.00 1.54 0.00 0.00 36.73 38.25 1jx6 h TYR 210 CO 0.00 -0.06 0.22 0.82 -1.64 0.00 0.00 178.16 177.49 1jx6 h ILE 211 N -0.10 0.87 -0.66 1.81 1.08 -1.89 0.80 117.51 119.43 1jx6 h ILE 211 Ca -0.00 -0.14 -0.05 0.00 -0.39 0.00 0.00 64.86 64.28 1jx6 h ILE 211 Cb 0.09 0.41 -0.03 0.00 -3.07 0.00 0.00 36.82 34.22 1jx6 h ILE 211 CO -0.00 0.08 0.24 0.28 -0.69 0.00 0.00 178.15 178.05 1jx6 h SER 212 N 0.42 0.94 0.21 1.72 0.02 -1.73 0.29 113.55 115.42 1jx6 h SER 212 Ca 0.24 -0.19 -0.01 0.00 -0.84 0.00 0.00 61.79 60.99 1jx6 h SER 212 Cb 0.23 -0.25 0.00 0.00 0.14 0.00 0.00 62.40 62.52 1jx6 h SER 212 CO -0.22 0.88 -0.10 0.44 -1.14 0.00 0.00 176.83 176.69 1jx6 h ASP 213 N 0.95 -0.24 1.89 3.07 3.32 -0.45 0.13 116.42 125.09 1jx6 h ASP 213 Ca 0.22 -0.15 -0.02 0.00 0.02 0.00 0.00 57.03 57.10 1jx6 h ASP 213 Cb 0.25 0.06 -0.00 0.00 0.22 0.00 0.00 39.33 39.86 1jx6 h ASP 213 CO -0.01 0.01 -0.09 -0.37 -1.72 0.00 0.00 179.24 177.06 1jx6 h VAL 214 N -0.50 0.16 0.02 -1.35 -1.51 -0.85 -2.53 116.25 109.70 1jx6 h VAL 214 Ca -0.03 -1.22 -0.38 0.00 -1.23 0.00 0.00 66.70 63.84 1jx6 h VAL 214 Cb 0.37 2.07 -0.06 0.00 -2.13 0.00 0.00 31.29 31.54 1jx6 h VAL 214 CO 0.05 0.09 -2.37 0.54 -1.23 0.00 0.00 177.57 174.65 1jx6 n ARG 215 N -3.12 0.67 -0.07 5.19 1.74 0.09 -3.94 116.66 117.22 1jx6 n ARG 215 Ca 0.04 0.16 -0.08 0.00 -0.77 0.00 0.00 57.85 57.19 1jx6 n ARG 215 Cb 0.56 -1.56 -0.06 0.00 -1.02 0.00 0.00 32.46 30.38 1jx6 n ARG 215 CO 0.00 0.00 0.00 0.78 -1.52 0.00 0.00 177.63 176.89 1jx6 h GLY 216 N 2.02 0.00 2.00 -0.13 0.00 -1.07 -3.25 103.07 102.64 1jx6 h GLY 216 Ca -0.54 0.00 -0.04 0.00 0.00 0.00 0.00 47.33 46.74 1jx6 h GLY 216 CO -0.04 0.00 -0.21 -0.55 0.00 0.00 0.00 176.54 175.73 1jx6 h ASP 217 N -1.00 0.00 -0.22 0.19 3.32 -1.28 -1.60 116.42 115.83 1jx6 h ASP 217 Ca -0.04 0.00 -0.05 0.00 0.02 0.00 0.00 57.03 56.95 1jx6 h ASP 217 Cb 0.59 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.14 1jx6 h ASP 217 CO -0.02 0.21 -0.07 0.74 -1.72 0.00 0.00 179.24 178.37 1jx6 h THR 218 N 0.00 1.29 -0.00 0.35 2.02 -1.73 -0.87 112.91 113.97 1jx6 h THR 218 Ca -0.00 -1.10 -0.00 0.00 0.77 0.00 0.00 66.41 66.08 1jx6 h THR 218 Cb 0.56 1.56 -0.00 0.00 -1.74 0.00 0.00 68.15 68.53 1jx6 h THR 218 CO 0.03 0.34 0.00 0.15 0.37 0.00 0.00 175.52 176.40 1jx6 h PHE 219 N 0.16 0.00 -0.41 3.16 3.57 -1.50 -2.29 116.94 119.63 1jx6 h PHE 219 Ca 0.05 -0.00 0.04 0.00 3.53 0.00 0.00 57.97 61.59 1jx6 h PHE 219 Cb 0.54 -0.00 -0.04 0.00 2.79 0.00 0.00 35.95 39.25 1jx6 h PHE 219 CO 0.06 0.17 0.19 0.82 -2.23 0.00 0.00 178.31 177.31 1jx6 h ILE 220 N -0.16 0.95 -0.09 1.41 2.04 -1.30 -1.27 117.51 119.08 1jx6 h ILE 220 Ca 0.00 -0.13 0.02 0.00 1.00 0.00 0.00 64.86 65.75 1jx6 h ILE 220 Cb 0.17 0.53 -0.02 0.00 -0.74 0.00 0.00 36.82 36.76 1jx6 h ILE 220 CO -0.00 0.07 -0.03 -0.74 0.00 0.00 0.00 178.15 177.45 1jx6 h HIS 221 N 0.38 -0.06 -0.10 1.37 2.76 -1.07 -0.78 115.15 117.66 1jx6 h HIS 221 Ca 0.18 0.01 -0.01 0.00 -2.20 0.00 0.00 60.37 58.34 1jx6 h HIS 221 Cb 0.11 0.04 -0.00 0.00 1.55 0.00 0.00 27.41 29.10 1jx6 h HIS 221 CO -0.11 -0.05 0.02 0.37 -1.30 0.00 0.00 177.93 176.86 1jx6 h GLN 222 N -0.01 0.17 -0.94 5.26 4.15 -1.24 -1.00 115.11 121.49 1jx6 h GLN 222 Ca 0.05 -0.04 0.02 0.00 0.77 0.00 0.00 58.65 59.44 1jx6 h GLN 222 Cb 0.08 -0.02 -0.05 0.00 0.21 0.00 0.00 27.48 27.70 1jx6 h GLN 222 CO -0.10 0.36 0.62 0.28 -1.93 0.00 0.00 178.83 178.06 1jx6 h VAL 223 N -0.05 1.20 -0.13 2.39 2.07 -1.18 0.31 116.25 120.86 1jx6 h VAL 223 Ca 0.03 -0.42 -0.21 0.00 0.82 0.00 0.00 66.70 66.92 1jx6 h VAL 223 Cb 0.27 -0.14 0.00 0.00 -1.52 0.00 0.00 31.29 29.91 1jx6 h VAL 223 CO 0.00 0.22 -0.75 0.78 0.02 0.00 0.00 177.57 177.84 1jx6 h ASN 224 N 1.23 0.76 0.68 0.57 -0.26 -1.09 -1.75 115.58 115.72 1jx6 h ASN 224 Ca 0.36 -0.50 -0.23 0.00 -0.56 0.00 0.00 56.30 55.37 1jx6 h ASN 224 Cb -0.08 -0.22 -0.01 0.00 -1.06 0.00 0.00 38.32 36.95 1jx6 h ASN 224 CO -0.10 1.27 -1.04 -0.09 -1.06 0.00 0.00 177.43 176.42 1jx6 h ARG 225 N 0.44 0.19 0.00 0.81 1.12 -0.87 -2.58 114.38 113.50 1jx6 h ARG 225 Ca -0.04 -0.27 -0.23 0.00 -1.11 0.00 0.00 59.98 58.32 1jx6 h ARG 225 Cb 1.36 0.09 -0.04 0.00 -0.01 0.00 0.00 29.97 31.37 1jx6 h ARG 225 CO 0.15 1.07 -2.16 -0.25 -3.11 0.00 0.00 179.97 175.66 1jx6 n ASP 226 N -3.55 0.10 0.00 -3.80 8.00 0.11 -4.62 116.55 112.79 1jx6 n ASP 226 Ca -0.05 0.04 0.00 0.00 0.71 0.00 0.00 54.79 55.50 1jx6 n ASP 226 Cb 0.92 1.22 0.00 0.00 -0.02 0.00 0.00 41.12 43.23 1jx6 n ASP 226 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 1jx6 n ASN 227 N -2.61 1.03 -3.33 -2.24 3.02 -0.69 -5.01 115.26 105.42 1jx6 n ASN 227 Ca -0.21 -1.46 -0.22 0.00 -0.03 0.00 0.00 54.58 52.66 1jx6 n ASN 227 Cb 0.94 0.00 -0.01 0.00 -0.61 0.00 0.00 39.78 40.10 1jx6 n ASN 227 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 1jx6 n ASN 228 N -0.23 -3.52 -4.73 6.41 3.02 -0.97 -2.18 115.26 113.06 1jx6 n ASN 228 Ca 0.00 -0.36 -0.34 0.00 -0.03 0.00 0.00 54.58 53.85 1jx6 n ASN 228 Cb 0.31 -2.93 0.08 0.00 -0.61 0.00 0.00 39.78 36.64 1jx6 n ASN 228 CO 0.00 0.00 0.00 -0.36 -2.62 0.00 0.00 177.26 174.28 1jx6 s PHE 229 N -2.89 2.16 -0.37 3.10 2.99 -1.05 -2.38 117.98 119.54 1jx6 s PHE 229 Ca 0.38 1.59 -0.06 0.00 0.00 0.00 0.00 56.93 58.85 1jx6 s PHE 229 Cb -0.20 -3.41 0.07 0.00 0.00 0.00 0.00 43.02 39.48 1jx6 s PHE 229 CO 0.47 -2.43 0.15 -1.21 -0.00 0.00 0.00 175.22 172.20 1jx6 s GLU 230 N -3.95 2.43 -0.05 0.44 0.41 0.08 -4.56 118.70 113.50 1jx6 s GLU 230 Ca 0.73 -1.43 -0.30 0.00 -0.41 0.00 0.00 54.97 53.56 1jx6 s GLU 230 Cb -0.27 -3.53 -0.05 0.00 -1.78 0.00 0.00 34.13 28.49 1jx6 s GLU 230 CO 0.44 -0.84 1.49 -1.17 -0.49 0.00 0.00 175.26 174.69 1jx6 s LEU 231 N 1.32 4.29 -0.08 1.80 2.96 -1.26 -2.29 118.68 125.43 1jx6 s LEU 231 Ca 0.01 2.10 0.15 0.00 -0.22 0.00 0.00 54.13 56.17 1jx6 s LEU 231 Cb -0.21 -3.55 -0.23 0.00 0.50 0.00 0.00 46.19 42.70 1jx6 s LEU 231 CO 0.00 -0.82 0.49 0.00 -1.32 0.00 0.00 176.35 174.70 1jx6 n GLN 232 N 6.32 0.65 -3.55 1.98 1.13 0.94 -4.94 117.38 119.90 1jx6 n GLN 232 Ca 0.15 0.17 -0.09 0.00 -1.94 0.00 0.00 57.00 55.30 1jx6 n GLN 232 Cb 0.43 -1.70 -0.04 0.00 0.11 0.00 0.00 30.24 29.05 1jx6 n GLN 232 CO 0.00 0.00 0.00 -1.54 -1.44 0.00 0.00 177.06 174.08 1jx6 s SER 233 N -5.80 -0.33 -0.23 1.08 1.04 -1.26 -5.02 113.70 103.18 1jx6 s SER 233 Ca -0.06 0.19 -0.03 0.00 0.48 0.00 0.00 55.95 56.53 1jx6 s SER 233 Cb 0.08 0.31 0.11 0.00 0.10 0.00 0.00 66.02 66.61 1jx6 s SER 233 CO 0.83 -0.43 0.25 0.00 0.98 0.00 0.00 173.24 174.86 1jx6 s ALA 234 N -2.05 -0.33 -0.17 5.32 0.00 -1.26 -0.78 121.76 122.50 1jx6 s ALA 234 Ca 0.02 0.09 -0.07 0.00 0.00 0.00 0.00 51.96 52.00 1jx6 s ALA 234 Cb -0.01 -1.47 -0.04 0.00 0.00 0.00 0.00 23.12 21.60 1jx6 s ALA 234 CO -0.03 -1.36 0.08 0.71 0.00 0.00 0.00 175.76 175.15 1jx6 s TYR 235 N 2.34 3.32 0.43 0.00 1.51 -0.30 -4.94 117.35 119.71 1jx6 s TYR 235 Ca 0.08 0.19 -0.18 0.00 -1.01 0.00 0.00 57.07 56.15 1jx6 s TYR 235 Cb -0.15 -2.05 -0.10 0.00 -0.11 0.00 0.00 41.96 39.55 1jx6 s TYR 235 CO -0.19 0.28 0.90 0.71 -1.11 0.00 0.00 175.55 176.15 1jx6 s TYR 236 N 0.07 3.37 0.31 2.71 1.51 -1.26 -0.20 117.35 123.85 1jx6 s TYR 236 Ca 0.06 1.46 0.02 0.00 -1.01 0.00 0.00 57.07 57.60 1jx6 s TYR 236 Cb -0.12 -2.75 -0.01 0.00 -0.11 0.00 0.00 41.96 38.98 1jx6 s TYR 236 CO 0.00 -0.13 0.05 0.25 -1.11 0.00 0.00 175.55 174.62 1jx6 n THR 237 N -0.85 0.00 -0.75 -0.71 -2.24 -0.80 -4.87 114.28 104.06 1jx6 n THR 237 Ca 0.06 -1.65 0.09 0.00 -2.27 0.00 0.00 64.05 60.27 1jx6 n THR 237 Cb 0.54 0.47 0.38 0.00 -2.10 0.00 0.00 70.33 69.62 1jx6 n THR 237 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 1jx6 n LYS 238 N -0.75 4.25 -1.16 -0.78 5.02 -1.26 -3.43 118.16 120.06 1jx6 n LYS 238 Ca -0.09 -3.02 -0.05 0.00 -2.02 0.00 0.00 58.31 53.12 1jx6 n LYS 238 Cb 0.43 -2.06 -0.02 0.00 -0.02 0.00 0.00 35.03 33.36 1jx6 n LYS 238 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1jx6 n ALA 239 N 0.94 -0.08 -2.50 7.82 0.00 -1.26 -4.77 120.51 120.65 1jx6 n ALA 239 Ca 0.27 0.09 -0.24 0.00 0.00 0.00 0.00 53.44 53.56 1jx6 n ALA 239 Cb 1.03 -1.23 -0.07 0.00 0.00 0.00 0.00 19.45 19.18 1jx6 n ALA 239 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 1jx6 s THR 240 N -1.77 2.69 0.14 0.00 -4.23 -1.26 -4.62 115.64 106.58 1jx6 s THR 240 Ca 0.00 -1.80 -0.13 0.00 -1.18 0.00 0.00 61.69 58.58 1jx6 s THR 240 Cb 0.00 -2.92 0.02 0.00 1.34 0.00 0.00 72.50 70.94 1jx6 s THR 240 CO 0.00 -0.14 1.63 0.50 -0.54 0.00 0.00 174.62 176.07 1jx6 h LYS 241 N 1.61 0.79 -0.84 3.99 3.64 -1.92 -1.23 116.57 122.61 1jx6 h LYS 241 Ca -0.43 -0.21 0.01 0.00 -1.27 0.00 0.00 60.65 58.74 1jx6 h LYS 241 Cb 1.25 -0.09 -0.04 0.00 -0.41 0.00 0.00 32.23 32.94 1jx6 h LYS 241 CO 0.66 0.80 0.55 0.37 -2.27 0.00 0.00 179.45 179.56 1jx6 h GLN 242 N 0.66 1.12 -0.46 1.90 5.75 -1.95 -0.90 115.11 121.22 1jx6 h GLN 242 Ca 0.14 -0.07 -0.10 0.00 -0.15 0.00 0.00 58.65 58.47 1jx6 h GLN 242 Cb 0.39 -0.25 -0.02 0.00 1.07 0.00 0.00 27.48 28.68 1jx6 h GLN 242 CO 0.01 0.75 -0.10 1.03 -2.65 0.00 0.00 178.83 177.87 1jx6 h SER 243 N 1.14 0.82 -0.67 -0.69 0.87 -1.90 -0.22 113.55 112.90 1jx6 h SER 243 Ca 0.31 -0.24 -0.07 0.00 -1.23 0.00 0.00 61.79 60.55 1jx6 h SER 243 Cb -0.11 -0.22 -0.03 0.00 -0.44 0.00 0.00 62.40 61.60 1jx6 h SER 243 CO -0.06 0.94 0.13 1.23 -0.53 0.00 0.00 176.83 178.54 1jx6 h GLY 244 N 0.97 1.18 0.86 5.77 0.00 -0.55 0.19 103.07 111.49 1jx6 h GLY 244 Ca 0.13 -0.76 -0.01 0.00 0.00 0.00 0.00 47.33 46.69 1jx6 h GLY 244 CO 0.04 0.71 -0.12 -1.82 0.00 0.00 0.00 176.54 175.35 1jx6 h TYR 245 N 1.03 -0.30 -0.59 5.60 3.20 -0.90 -0.66 116.97 124.35 1jx6 h TYR 245 Ca 0.21 -0.01 0.04 0.00 3.14 0.00 0.00 58.73 62.11 1jx6 h TYR 245 Cb 0.41 0.10 -0.04 0.00 1.54 0.00 0.00 36.73 38.73 1jx6 h TYR 245 CO 0.03 -0.08 0.34 -0.44 -1.64 0.00 0.00 178.16 176.37 1jx6 h ASP 246 N -0.47 0.53 -0.53 -2.11 3.32 -0.87 -2.00 116.42 114.30 1jx6 h ASP 246 Ca -0.03 0.02 -0.10 0.00 0.02 0.00 0.00 57.03 56.93 1jx6 h ASP 246 Cb 0.35 -0.09 -0.02 0.00 0.22 0.00 0.00 39.33 39.79 1jx6 h ASP 246 CO 0.05 0.36 -0.04 0.00 -1.72 0.00 0.00 179.24 177.90 1jx6 h ALA 247 N 1.29 0.88 -0.61 3.45 0.00 -0.89 -1.79 119.26 121.59 1jx6 h ALA 247 Ca 0.25 -0.32 -0.05 0.00 0.00 0.00 0.00 54.91 54.80 1jx6 h ALA 247 Cb 0.09 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 17.64 1jx6 h ALA 247 CO -0.13 0.65 0.20 0.00 0.00 0.00 0.00 179.25 179.97 1jx6 h ALA 248 N 1.04 0.79 -0.50 0.00 0.00 -0.81 0.28 119.26 120.06 1jx6 h ALA 248 Ca 0.16 -0.20 -0.05 0.00 0.00 0.00 0.00 54.91 54.81 1jx6 h ALA 248 Cb 0.58 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 18.12 1jx6 h ALA 248 CO 0.03 0.45 0.11 0.87 0.00 0.00 0.00 179.25 180.71 1jx6 h LYS 249 N 0.86 0.81 -0.27 0.00 1.57 -1.22 -0.71 116.57 117.61 1jx6 h LYS 249 Ca 0.20 -0.21 -0.02 0.00 -1.87 0.00 0.00 60.65 58.75 1jx6 h LYS 249 Cb 0.27 -0.10 -0.01 0.00 0.08 0.00 0.00 32.23 32.47 1jx6 h LYS 249 CO -0.01 0.80 0.08 0.00 -0.57 0.00 0.00 179.45 179.74 1jx6 h ALA 250 N 0.98 0.36 -0.43 3.86 0.00 -1.12 -1.29 119.26 121.62 1jx6 h ALA 250 Ca 0.16 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1jx6 h ALA 250 Cb 0.36 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.02 1jx6 h ALA 250 CO 0.01 0.00 0.28 1.03 0.00 0.00 0.00 179.25 180.57 1jx6 h SER 251 N 0.28 0.50 0.87 0.00 0.87 -0.79 -2.53 113.55 112.75 1jx6 h SER 251 Ca 0.09 -0.03 -0.05 0.00 -1.23 0.00 0.00 61.79 60.57 1jx6 h SER 251 Cb 0.26 -0.13 -0.01 0.00 -0.44 0.00 0.00 62.40 62.09 1jx6 h SER 251 CO -0.00 0.38 -0.24 -0.07 -0.53 0.00 0.00 176.83 176.37 1jx6 h LEU 252 N 0.58 0.00 -0.60 2.23 3.38 -1.05 0.16 115.31 120.01 1jx6 h LEU 252 Ca 0.16 0.00 -0.14 0.00 0.09 0.00 0.00 57.88 57.99 1jx6 h LEU 252 Cb -0.05 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.69 1jx6 h LEU 252 CO -0.03 0.24 -0.37 0.00 0.09 0.00 0.00 178.44 178.37 1jx6 h ALA 253 N 1.76 0.78 0.00 1.53 0.00 -0.81 -2.49 119.26 120.02 1jx6 h ALA 253 Ca -0.00 -0.43 -0.05 0.00 0.00 0.00 0.00 54.91 54.43 1jx6 h ALA 253 Cb 0.74 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.40 1jx6 h ALA 253 CO 0.03 0.65 -1.48 1.63 0.00 0.00 0.00 179.25 180.09 1jx6 n LYS 254 N -4.05 0.63 -3.19 0.00 4.01 -1.07 -4.65 118.16 109.84 1jx6 n LYS 254 Ca -0.02 0.03 -0.24 0.00 -0.51 0.00 0.00 58.31 57.57 1jx6 n LYS 254 Cb 0.51 -1.71 -0.07 0.00 -0.51 0.00 0.00 35.03 33.26 1jx6 n LYS 254 CO 0.00 0.00 0.00 0.72 -1.11 0.00 0.00 177.40 177.01 1jx6 n HIS 255 N -2.58 -0.41 0.39 2.13 8.25 0.54 -4.96 115.22 118.59 1jx6 n HIS 255 Ca -0.05 -3.54 0.13 0.00 -0.26 0.00 0.00 57.72 54.01 1jx6 n HIS 255 Cb 0.64 -0.33 0.52 0.00 1.12 0.00 0.00 29.99 31.94 1jx6 n HIS 255 CO 0.00 0.00 0.00 -1.00 0.64 0.00 0.00 176.34 175.98 1jx6 h PRO 256 N 4.00 0.00 -2.54 -0.41 0.13 -1.66 -3.36 132.00 128.16 1jx6 h PRO 256 Ca 0.07 0.00 -0.65 0.00 -0.87 0.00 0.00 66.00 64.55 1jx6 h PRO 256 Cb 0.88 0.00 -0.10 0.00 0.13 0.00 0.00 31.00 31.91 1jx6 h PRO 256 CO 0.46 0.00 2.15 -0.40 -0.23 0.00 0.00 178.00 179.98 1jx6 n ASP 257 N -2.50 7.73 -4.38 1.44 3.85 -1.26 -4.90 116.55 116.53 1jx6 n ASP 257 Ca 0.02 -2.99 -0.27 0.00 -0.71 0.00 0.00 54.79 50.84 1jx6 n ASP 257 Cb 0.28 -1.38 -0.13 0.00 -1.35 0.00 0.00 41.12 38.55 1jx6 n ASP 257 CO 0.00 0.00 0.00 0.68 -1.01 0.00 0.00 177.20 176.87 1jx6 s VAL 258 N -0.53 2.17 -0.28 2.12 -7.23 -1.26 -4.73 120.40 110.65 1jx6 s VAL 258 Ca 0.59 -1.79 0.21 0.00 -1.81 0.00 0.00 61.98 59.18 1jx6 s VAL 258 Cb 0.23 -1.95 -0.30 0.00 0.56 0.00 0.00 36.38 34.92 1jx6 s VAL 258 CO -0.10 -0.00 0.58 0.47 -0.31 0.00 0.00 175.10 175.73 1jx6 n ASP 259 N 0.76 0.35 -3.42 4.85 8.00 -0.18 -4.85 116.55 122.06 1jx6 n ASP 259 Ca -0.17 -0.26 -0.12 0.00 0.71 0.00 0.00 54.79 54.95 1jx6 n ASP 259 Cb 0.54 1.72 -0.02 0.00 -0.02 0.00 0.00 41.12 43.33 1jx6 n ASP 259 CO 0.00 0.00 0.00 0.72 -0.39 0.00 0.00 177.20 177.53 1jx6 s PHE 260 N -3.34 -0.54 -0.08 1.24 -0.12 -1.25 -2.06 117.98 111.82 1jx6 s PHE 260 Ca -0.04 0.33 0.02 0.00 -0.05 0.00 0.00 56.93 57.20 1jx6 s PHE 260 Cb 0.14 0.56 0.01 0.00 -0.63 0.00 0.00 43.02 43.10 1jx6 s PHE 260 CO 0.88 -0.84 -0.14 0.42 -0.05 0.00 0.00 175.22 175.48 1jx6 s ILE 261 N -3.73 1.35 -0.27 -4.49 1.01 0.01 -2.53 121.20 112.55 1jx6 s ILE 261 Ca 0.01 -0.58 -0.12 0.00 0.00 0.00 0.00 60.65 59.96 1jx6 s ILE 261 Cb -0.01 -1.23 -0.05 0.00 0.01 0.00 0.00 42.46 41.19 1jx6 s ILE 261 CO -0.13 0.41 0.23 -0.47 0.00 0.00 0.00 174.94 174.98 1jx6 s TYR 262 N 0.77 3.24 -0.08 3.97 5.04 -0.48 -3.71 117.35 126.09 1jx6 s TYR 262 Ca -0.12 0.21 -0.03 0.00 -2.44 0.00 0.00 57.07 54.69 1jx6 s TYR 262 Cb -0.16 -2.41 -0.04 0.00 0.35 0.00 0.00 41.96 39.70 1jx6 s TYR 262 CO 0.02 -0.15 0.06 0.00 -1.34 0.00 0.00 175.55 174.15 1jx6 s ALA 263 N 1.74 3.54 -2.60 3.97 0.00 -1.26 -0.72 121.76 126.42 1jx6 s ALA 263 Ca 0.09 -0.77 0.27 0.00 0.00 0.00 0.00 51.96 51.55 1jx6 s ALA 263 Cb -0.16 -1.66 0.87 0.00 0.00 0.00 0.00 23.12 22.18 1jx6 s ALA 263 CO 0.10 0.62 1.65 0.00 0.00 0.00 0.00 175.76 178.13 1jx6 s SER 265 N -2.00 -0.53 0.07 0.00 1.04 -1.26 -4.84 113.70 106.18 1jx6 s SER 265 Ca 0.36 0.07 -0.28 0.00 0.48 0.00 0.00 55.95 56.58 1jx6 s SER 265 Cb 0.21 0.54 -0.13 0.00 0.10 0.00 0.00 66.02 66.74 1jx6 s SER 265 CO 0.33 -0.85 1.44 0.74 0.98 0.00 0.00 173.24 175.87 1jx6 h THR 266 N 2.09 0.00 -0.85 2.02 2.02 -1.94 -1.10 112.91 115.16 1jx6 h THR 266 Ca -0.31 0.00 0.07 0.00 0.77 0.00 0.00 66.41 66.94 1jx6 h THR 266 Cb 1.28 0.00 -0.06 0.00 -1.74 0.00 0.00 68.15 67.63 1jx6 h THR 266 CO 0.36 0.00 0.52 0.44 0.37 0.00 0.00 175.52 177.21 1jx6 h ASP 267 N -0.71 0.81 -0.41 4.18 5.19 -1.92 -1.38 116.42 122.18 1jx6 h ASP 267 Ca -0.03 0.02 -0.02 0.00 -0.62 0.00 0.00 57.03 56.38 1jx6 h ASP 267 Cb 0.65 -0.15 -0.02 0.00 0.18 0.00 0.00 39.33 40.00 1jx6 h ASP 267 CO -0.13 0.51 0.16 0.58 -3.12 0.00 0.00 179.24 177.24 1jx6 h VAL 268 N 0.94 1.20 -0.85 -1.35 2.07 -1.69 -1.97 116.25 114.60 1jx6 h VAL 268 Ca 0.37 -0.62 -0.03 0.00 0.82 0.00 0.00 66.70 67.25 1jx6 h VAL 268 Cb 0.19 0.84 -0.04 0.00 -1.52 0.00 0.00 31.29 30.77 1jx6 h VAL 268 CO -0.18 0.22 0.41 0.00 0.02 0.00 0.00 177.57 178.04 1jx6 h ALA 269 N 1.01 1.09 -0.04 1.67 0.00 -0.54 -0.97 119.26 121.48 1jx6 h ALA 269 Ca 0.14 -0.16 -0.07 0.00 0.00 0.00 0.00 54.91 54.82 1jx6 h ALA 269 Cb 0.20 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 17.64 1jx6 h ALA 269 CO -0.01 0.65 -0.29 -0.07 0.00 0.00 0.00 179.25 179.53 1jx6 h LEU 270 N 1.20 0.07 -0.31 0.00 3.38 -1.06 -0.46 115.31 118.14 1jx6 h LEU 270 Ca 0.29 -0.02 -0.18 0.00 0.09 0.00 0.00 57.88 58.06 1jx6 h LEU 270 Cb 0.11 -0.02 -0.00 0.00 0.09 0.00 0.00 40.66 40.84 1jx6 h LEU 270 CO -0.04 0.37 -0.50 1.23 0.09 0.00 0.00 178.44 179.59 1jx6 h GLY 271 N 0.94 0.96 1.16 0.83 0.00 -0.72 -2.92 103.07 103.33 1jx6 h GLY 271 Ca 0.01 -1.09 -0.02 0.00 0.00 0.00 0.00 47.33 46.22 1jx6 h GLY 271 CO 0.04 0.98 0.41 0.00 0.00 0.00 0.00 176.54 177.97 1jx6 h ALA 272 N 0.70 1.25 -0.28 3.60 0.00 -0.51 -2.18 119.26 121.84 1jx6 h ALA 272 Ca 0.02 -0.13 0.05 0.00 0.00 0.00 0.00 54.91 54.86 1jx6 h ALA 272 Cb 1.11 -0.31 -0.05 0.00 0.00 0.00 0.00 17.79 18.54 1jx6 h ALA 272 CO 0.11 0.60 -0.04 0.28 0.00 0.00 0.00 179.25 180.20 1jx6 h VAL 273 N 1.10 0.75 -0.94 0.00 2.07 -0.94 -0.21 116.25 118.08 1jx6 h VAL 273 Ca 0.27 -0.01 0.04 0.00 0.82 0.00 0.00 66.70 67.83 1jx6 h VAL 273 Cb 0.06 0.72 -0.06 0.00 -1.52 0.00 0.00 31.29 30.49 1jx6 h VAL 273 CO -0.04 0.01 0.62 0.44 0.02 0.00 0.00 177.57 178.61 1jx6 h ASP 274 N 0.03 1.00 -0.22 0.57 3.32 -1.26 -1.66 116.42 118.21 1jx6 h ASP 274 Ca 0.13 -0.01 -0.02 0.00 0.02 0.00 0.00 57.03 57.16 1jx6 h ASP 274 Cb 0.19 -0.23 -0.01 0.00 0.22 0.00 0.00 39.33 39.51 1jx6 h ASP 274 CO -0.26 0.68 0.07 0.00 -1.72 0.00 0.00 179.24 178.01 1jx6 h ALA 275 N 1.46 0.29 -0.84 3.45 0.00 -0.68 -1.54 119.26 121.40 1jx6 h ALA 275 Ca 0.38 -0.13 0.02 0.00 0.00 0.00 0.00 54.91 55.18 1jx6 h ALA 275 Cb 0.06 -0.09 -0.04 0.00 0.00 0.00 0.00 17.79 17.72 1jx6 h ALA 275 CO -0.12 -0.10 0.56 -0.07 0.00 0.00 0.00 179.25 179.52 1jx6 h LEU 276 N 0.19 0.95 -0.28 0.00 3.38 -0.64 -0.61 115.31 118.30 1jx6 h LEU 276 Ca 0.07 -0.02 -0.03 0.00 0.09 0.00 0.00 57.88 57.99 1jx6 h LEU 276 Cb 0.22 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.72 1jx6 h LEU 276 CO -0.00 0.68 0.04 0.00 0.09 0.00 0.00 178.44 179.25 1jx6 h ALA 277 N 1.48 0.37 -0.66 1.53 0.00 -1.07 0.13 119.26 121.04 1jx6 h ALA 277 Ca 0.31 -0.19 -0.02 0.00 0.00 0.00 0.00 54.91 55.01 1jx6 h ALA 277 Cb -0.09 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 17.57 1jx6 h ALA 277 CO -0.08 0.06 0.31 1.49 0.00 0.00 0.00 179.25 181.04 1jx6 h GLU 278 N 0.28 0.95 -0.00 0.00 4.81 -0.80 -2.41 114.58 117.40 1jx6 h GLU 278 Ca 0.08 -0.14 0.00 0.00 -0.13 0.00 0.00 59.36 59.17 1jx6 h GLU 278 Cb 0.34 -0.17 0.00 0.00 0.63 0.00 0.00 28.75 29.55 1jx6 h GLU 278 CO 0.01 0.76 -0.03 1.28 -0.73 0.00 0.00 179.01 180.30 1jx6 n LEU 279 N -4.47 0.13 -2.54 1.64 4.77 -0.28 -4.91 117.00 111.34 1jx6 n LEU 279 Ca 0.05 0.15 -0.18 0.00 -0.03 0.00 0.00 56.01 56.00 1jx6 n LEU 279 Cb 0.13 -0.20 0.03 0.00 -2.33 0.00 0.00 43.42 41.06 1jx6 n LEU 279 CO 0.38 0.02 0.03 0.61 -1.33 0.00 0.00 177.39 177.11 1jx6 n GLY 280 N 1.22 -0.28 2.58 -0.72 0.00 -0.38 -4.93 105.19 102.69 1jx6 n GLY 280 Ca 0.16 -0.03 -0.31 0.00 0.00 0.00 0.00 46.02 45.84 1jx6 n GLY 280 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1jx6 n ARG 281 N -3.49 3.21 0.09 1.61 5.12 0.30 -4.77 116.66 118.73 1jx6 n ARG 281 Ca -0.08 -4.14 0.08 0.00 -1.93 0.00 0.00 57.85 51.78 1jx6 n ARG 281 Cb 0.59 -2.26 0.38 0.00 -1.16 0.00 0.00 32.46 30.01 1jx6 n ARG 281 CO 0.00 0.00 0.00 0.39 -1.93 0.00 0.00 177.63 176.09 1jx6 n GLU 282 N -0.53 0.10 0.21 5.56 4.71 -1.26 -1.77 120.64 127.66 1jx6 n GLU 282 Ca 0.45 0.52 0.06 0.00 -0.01 0.00 0.00 57.16 58.18 1jx6 n GLU 282 Cb 0.55 -1.77 0.47 0.00 -1.01 0.00 0.00 31.44 29.68 1jx6 n GLU 282 CO 0.00 0.00 0.00 0.38 0.09 0.00 0.00 177.13 177.60 1jx6 h ASP 283 N 0.00 0.00 -3.07 1.62 2.03 -1.94 -3.42 116.42 111.63 1jx6 h ASP 283 Ca 0.00 0.00 -0.55 0.00 -0.73 0.00 0.00 57.03 55.75 1jx6 h ASP 283 Cb 0.10 0.00 -0.02 0.00 -0.83 0.00 0.00 39.33 38.57 1jx6 h ASP 283 CO 0.00 0.29 0.72 -0.63 -1.03 0.00 0.00 179.24 178.58 1jx6 s ILE 284 N -4.10 4.26 0.32 4.15 1.01 -0.73 -4.93 121.20 121.18 1jx6 s ILE 284 Ca -0.02 1.58 -0.27 0.00 0.00 0.00 0.00 60.65 61.94 1jx6 s ILE 284 Cb 0.13 -4.02 -0.09 0.00 0.01 0.00 0.00 42.46 38.50 1jx6 s ILE 284 CO 0.67 -0.01 1.05 -0.32 0.00 0.00 0.00 174.94 176.33 1jx6 s MET 285 N 2.33 4.48 0.00 2.79 -2.45 -0.88 -4.89 119.30 120.68 1jx6 s MET 285 Ca 0.56 1.61 0.00 0.00 -1.25 0.00 0.00 55.69 56.61 1jx6 s MET 285 Cb -0.24 -2.91 -0.00 0.00 1.25 0.00 0.00 34.83 32.92 1jx6 s MET 285 CO 0.21 0.12 -0.00 -1.50 1.05 0.00 0.00 175.02 174.90 1jx6 s ILE 286 N -1.40 0.02 0.28 10.11 1.10 -1.26 -0.81 121.20 129.24 1jx6 s ILE 286 Ca 0.50 -0.03 0.08 0.00 -0.51 0.00 0.00 60.65 60.69 1jx6 s ILE 286 Cb -0.26 -0.03 -0.04 0.00 0.15 0.00 0.00 42.46 42.28 1jx6 s ILE 286 CO 0.33 -0.01 0.12 0.54 -2.11 0.00 0.00 174.94 173.82 1jx6 s ASN 287 N -0.04 5.00 0.56 4.50 4.22 -1.24 -1.77 114.94 126.16 1jx6 s ASN 287 Ca -0.00 -0.51 0.07 0.00 -2.14 0.00 0.00 52.86 50.28 1jx6 s ASN 287 Cb -0.00 -1.04 0.06 0.00 1.28 0.00 0.00 41.25 41.54 1jx6 s ASN 287 CO -0.00 -0.10 0.55 -0.83 -2.04 0.00 0.00 177.10 174.68 1jx6 s GLY 288 N -3.80 2.14 -0.32 0.45 0.00 0.44 -4.43 107.32 101.81 1jx6 s GLY 288 Ca 0.34 -1.57 0.01 0.00 0.00 0.00 0.00 44.72 43.50 1jx6 s GLY 288 CO 0.23 -1.85 0.33 0.86 0.00 0.00 0.00 173.10 172.67 1jx6 s TRP 289 N -2.74 -0.46 0.00 1.90 -0.00 -1.26 -4.06 118.94 112.32 1jx6 s TRP 289 Ca 0.44 -0.35 0.00 0.00 -0.00 0.00 0.00 56.10 56.19 1jx6 s TRP 289 Cb -0.03 -0.42 0.00 0.00 -0.00 0.00 0.00 33.47 33.02 1jx6 s TRP 289 CO 0.28 -0.94 0.00 0.41 -0.00 0.00 0.00 176.95 176.69 1jx6 n GLY 290 N 4.96 4.26 2.16 5.86 0.00 -0.00 -3.95 105.19 118.49 1jx6 n GLY 290 Ca 0.03 -0.82 -0.07 0.00 0.00 0.00 0.00 46.02 45.16 1jx6 n GLY 290 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1jx6 n GLY 291 N 0.00 0.42 3.93 -0.02 0.00 -1.20 -1.38 105.19 106.94 1jx6 n GLY 291 Ca 0.00 -0.42 -0.30 0.00 0.00 0.00 0.00 46.02 45.30 1jx6 n GLY 291 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1jx6 s GLY 292 N -3.04 1.82 0.24 -0.02 0.00 -1.26 -4.70 107.32 100.36 1jx6 s GLY 292 Ca 0.16 -1.31 -0.05 0.00 0.00 0.00 0.00 44.72 43.52 1jx6 s GLY 292 CO 0.20 -0.48 1.78 1.76 0.00 0.00 0.00 173.10 176.36 1jx6 h SER 293 N -1.78 0.52 -0.67 1.64 0.02 -1.96 -0.63 113.55 110.69 1jx6 h SER 293 Ca -0.44 0.06 -0.07 0.00 -0.84 0.00 0.00 61.79 60.51 1jx6 h SER 293 Cb 1.22 -0.03 -0.03 0.00 0.14 0.00 0.00 62.40 63.70 1jx6 h SER 293 CO 0.32 0.28 0.16 0.00 -1.14 0.00 0.00 176.83 176.45 1jx6 h ALA 294 N 1.46 0.89 -0.45 3.77 0.00 -1.93 -1.52 119.26 121.48 1jx6 h ALA 294 Ca 0.38 -0.25 -0.05 0.00 0.00 0.00 0.00 54.91 55.00 1jx6 h ALA 294 Cb 0.43 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.94 1jx6 h ALA 294 CO -0.28 0.61 0.08 0.93 0.00 0.00 0.00 179.25 180.59 1jx6 h GLU 295 N 1.01 0.73 -0.61 0.00 5.08 -1.71 -2.05 114.58 117.02 1jx6 h GLU 295 Ca 0.21 -0.19 -0.05 0.00 -1.00 0.00 0.00 59.36 58.33 1jx6 h GLU 295 Cb 0.38 -0.09 -0.03 0.00 0.50 0.00 0.00 28.75 29.51 1jx6 h GLU 295 CO 0.00 0.75 0.20 -0.07 -1.00 0.00 0.00 179.01 178.89 1jx6 h LEU 296 N 0.60 0.86 -0.64 1.33 3.38 -0.94 0.14 115.31 120.03 1jx6 h LEU 296 Ca 0.14 -0.14 -0.04 0.00 0.09 0.00 0.00 57.88 57.93 1jx6 h LEU 296 Cb 0.36 -0.22 -0.03 0.00 0.09 0.00 0.00 40.66 40.86 1jx6 h LEU 296 CO 0.01 0.80 0.24 0.44 0.09 0.00 0.00 178.44 180.02 1jx6 h ASP 297 N 0.90 0.90 -0.29 -0.43 3.32 -1.14 -0.99 116.42 118.68 1jx6 h ASP 297 Ca 0.20 -0.18 -0.08 0.00 0.02 0.00 0.00 57.03 56.99 1jx6 h ASP 297 Cb 0.25 -0.24 -0.02 0.00 0.22 0.00 0.00 39.33 39.55 1jx6 h ASP 297 CO -0.01 0.84 -0.09 0.00 -1.72 0.00 0.00 179.24 178.27 1jx6 h ALA 298 N 1.10 1.10 -0.01 3.45 0.00 -0.61 -1.42 119.26 122.86 1jx6 h ALA 298 Ca 0.21 -0.29 -0.00 0.00 0.00 0.00 0.00 54.91 54.83 1jx6 h ALA 298 Cb 0.23 -0.17 -0.00 0.00 0.00 0.00 0.00 17.79 17.86 1jx6 h ALA 298 CO -0.01 0.56 0.00 0.82 0.00 0.00 0.00 179.25 180.62 1jx6 h ILE 299 N 0.64 1.11 0.00 0.00 1.08 -0.30 0.46 117.51 120.50 1jx6 h ILE 299 Ca 0.12 -0.32 -0.02 0.00 -0.39 0.00 0.00 64.86 64.25 1jx6 h ILE 299 Cb 0.53 1.31 -0.00 0.00 -3.07 0.00 0.00 36.82 35.58 1jx6 h ILE 299 CO 0.03 0.09 -0.08 1.56 -0.69 0.00 0.00 178.15 179.06 1jx6 h GLN 300 N -0.12 0.00 0.00 2.37 4.20 -1.02 -1.46 115.11 119.08 1jx6 h GLN 300 Ca 0.00 0.00 -0.11 0.00 0.06 0.00 0.00 58.65 58.61 1jx6 h GLN 300 Cb 0.14 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 27.90 1jx6 h GLN 300 CO -0.00 0.08 -0.64 0.87 -0.67 0.00 0.00 178.83 178.46 1jx6 h LYS 301 N 0.00 0.00 0.00 1.46 1.79 -0.90 -3.48 116.57 115.45 1jx6 h LYS 301 Ca -0.00 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.47 1jx6 h LYS 301 Cb 0.42 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.07 1jx6 h LYS 301 CO 0.01 0.42 0.00 0.41 -1.08 0.00 0.00 179.45 179.21 1jx6 n GLY 302 N 1.25 0.69 0.13 3.86 0.00 -0.19 -4.95 105.19 105.97 1jx6 n GLY 302 Ca 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 45.95 1jx6 n GLY 302 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1jx6 h ASP 303 N 0.00 0.19 -3.41 1.61 3.32 -1.22 -3.42 116.42 113.49 1jx6 h ASP 303 Ca 0.00 -0.14 -0.65 0.00 0.02 0.00 0.00 57.03 56.25 1jx6 h ASP 303 Cb 0.00 -0.06 -0.21 0.00 0.22 0.00 0.00 39.33 39.28 1jx6 h ASP 303 CO 0.00 0.91 -0.69 -0.22 -1.72 0.00 0.00 179.24 177.52 1jx6 s LEU 304 N -7.47 3.16 -0.00 1.55 2.96 -1.00 -4.89 118.68 112.98 1jx6 s LEU 304 Ca -0.02 -0.12 -0.05 0.00 -0.22 0.00 0.00 54.13 53.72 1jx6 s LEU 304 Cb 0.11 -1.73 -0.29 0.00 0.50 0.00 0.00 46.19 44.78 1jx6 s LEU 304 CO 0.81 0.23 0.84 0.44 -1.32 0.00 0.00 176.35 177.35 1jx6 h ASP 305 N 6.23 0.45 -5.01 3.68 3.32 -1.61 -3.39 116.42 120.10 1jx6 h ASP 305 Ca -0.36 -0.62 -0.02 0.00 0.02 0.00 0.00 57.03 56.05 1jx6 h ASP 305 Cb 1.19 -0.15 -0.12 0.00 0.22 0.00 0.00 39.33 40.48 1jx6 h ASP 305 CO 0.58 1.52 0.19 -0.51 -1.72 0.00 0.00 179.24 179.30 1jx6 s ILE 306 N -2.61 0.01 0.11 0.35 2.07 -1.23 -1.51 121.20 118.39 1jx6 s ILE 306 Ca -0.10 -0.13 -0.25 0.00 -1.41 0.00 0.00 60.65 58.77 1jx6 s ILE 306 Cb 0.06 -1.09 0.08 0.00 0.13 0.00 0.00 42.46 41.64 1jx6 s ILE 306 CO 0.86 -0.03 0.67 0.28 -1.91 0.00 0.00 174.94 174.81 1jx6 s THR 307 N -3.77 0.00 -0.33 4.00 -1.32 -0.10 -0.42 115.64 113.71 1jx6 s THR 307 Ca 0.02 0.00 -0.12 0.00 -1.21 0.00 0.00 61.69 60.38 1jx6 s THR 307 Cb -0.01 -1.00 -0.02 0.00 -1.51 0.00 0.00 72.50 69.96 1jx6 s THR 307 CO -0.11 0.00 0.21 0.54 -2.21 0.00 0.00 174.62 173.05 1jx6 s VAL 308 N -3.48 5.09 -0.26 5.08 0.11 -1.26 -1.21 120.40 124.48 1jx6 s VAL 308 Ca 0.01 -0.24 -0.14 0.00 -2.93 0.00 0.00 61.98 58.69 1jx6 s VAL 308 Cb -0.01 -3.59 -0.04 0.00 -1.53 0.00 0.00 36.38 31.20 1jx6 s VAL 308 CO -0.11 0.03 0.31 -0.32 -3.33 0.00 0.00 175.10 171.68 1jx6 s MET 309 N 1.69 4.02 0.29 1.54 0.00 0.60 -0.82 119.30 126.62 1jx6 s MET 309 Ca 0.06 -0.06 -0.15 0.00 0.00 0.00 0.00 55.69 55.53 1jx6 s MET 309 Cb -0.17 -3.63 -0.09 0.00 0.00 0.00 0.00 34.83 30.94 1jx6 s MET 309 CO 0.09 -0.19 0.71 -0.98 0.00 0.00 0.00 175.02 174.65 1jx6 s ARG 310 N 1.80 4.03 -1.50 4.11 1.70 -0.48 -0.53 118.95 128.08 1jx6 s ARG 310 Ca 0.13 0.66 -0.12 0.00 -0.47 0.00 0.00 55.73 55.92 1jx6 s ARG 310 Cb -0.15 -2.56 0.01 0.00 -0.57 0.00 0.00 34.95 31.67 1jx6 s ARG 310 CO 0.09 0.23 2.46 -1.33 -1.08 0.00 0.00 175.30 175.67 1jx6 n MET 311 N -0.09 3.23 -0.01 3.89 2.81 -0.38 -4.84 117.12 121.73 1jx6 n MET 311 Ca 0.02 -2.55 -0.00 0.00 -1.81 0.00 0.00 57.70 53.36 1jx6 n MET 311 Cb 0.53 -3.09 -0.00 0.00 -0.71 0.00 0.00 33.22 29.94 1jx6 n MET 311 CO 0.00 0.00 0.00 -1.71 1.51 0.00 0.00 175.97 175.77 1jx6 n ASN 312 N 5.02 -0.02 0.29 7.83 5.15 -1.24 -1.80 115.26 130.49 1jx6 n ASN 312 Ca 0.60 0.08 0.20 0.00 -0.60 0.00 0.00 54.58 54.86 1jx6 n ASN 312 Cb 0.33 -0.03 1.06 0.00 -0.53 0.00 0.00 39.78 40.61 1jx6 n ASN 312 CO 0.00 0.00 0.00 0.44 1.40 0.00 0.00 177.26 179.10 1jx6 h ASP 313 N 0.00 0.00 -0.70 1.20 3.32 -1.35 -3.00 116.42 115.89 1jx6 h ASP 313 Ca 0.00 0.00 0.10 0.00 0.02 0.00 0.00 57.03 57.15 1jx6 h ASP 313 Cb 0.01 0.00 -0.05 0.00 0.22 0.00 0.00 39.33 39.51 1jx6 h ASP 313 CO -0.02 0.00 0.46 0.44 -1.72 0.00 0.00 179.24 178.40 1jx6 h ASP 314 N 0.00 0.51 -0.09 6.45 3.32 -1.62 -1.16 116.42 123.83 1jx6 h ASP 314 Ca 0.00 0.01 -0.22 0.00 0.02 0.00 0.00 57.03 56.85 1jx6 h ASP 314 Cb 0.02 -0.10 0.01 0.00 0.22 0.00 0.00 39.33 39.48 1jx6 h ASP 314 CO 0.00 0.31 -0.76 0.71 -1.72 0.00 0.00 179.24 177.78 1jx6 h THR 315 N 0.57 1.29 -0.70 0.35 1.35 -1.76 0.22 112.91 114.24 1jx6 h THR 315 Ca 0.32 -1.99 -0.02 0.00 -0.55 0.00 0.00 66.41 64.18 1jx6 h THR 315 Cb 0.49 1.98 -0.03 0.00 -1.73 0.00 0.00 68.15 68.86 1jx6 h THR 315 CO -0.11 0.63 0.37 1.23 -0.25 0.00 0.00 175.52 177.39 1jx6 h GLY 316 N 0.69 1.05 1.07 5.82 0.00 -1.56 -1.82 103.07 108.32 1jx6 h GLY 316 Ca -0.05 -0.49 -0.08 0.00 0.00 0.00 0.00 47.33 46.71 1jx6 h GLY 316 CO 0.15 0.47 0.07 -2.22 0.00 0.00 0.00 176.54 175.01 1jx6 h ILE 317 N 0.96 1.26 -0.58 2.60 2.04 -1.16 -2.75 117.51 119.89 1jx6 h ILE 317 Ca 0.24 -1.07 -0.01 0.00 1.00 0.00 0.00 64.86 65.02 1jx6 h ILE 317 Cb 0.06 0.71 -0.03 0.00 -0.74 0.00 0.00 36.82 36.83 1jx6 h ILE 317 CO -0.04 0.40 0.34 0.00 0.00 0.00 0.00 178.15 178.85 1jx6 h ALA 318 N 1.02 1.50 -0.36 1.87 0.00 -0.47 -1.50 119.26 121.33 1jx6 h ALA 318 Ca 0.19 -0.08 -0.12 0.00 0.00 0.00 0.00 54.91 54.90 1jx6 h ALA 318 Cb 0.48 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.02 1jx6 h ALA 318 CO 0.02 0.43 -0.26 0.52 0.00 0.00 0.00 179.25 179.95 1jx6 h MET 319 N 0.80 0.73 -0.34 0.00 2.86 -1.06 0.24 114.93 118.16 1jx6 h MET 319 Ca 0.21 -0.31 -0.15 0.00 -2.06 0.00 0.00 59.70 57.39 1jx6 h MET 319 Cb -0.01 -0.03 -0.01 0.00 0.06 0.00 0.00 31.60 31.62 1jx6 h MET 319 CO -0.04 0.92 -0.38 0.00 1.06 0.00 0.00 176.91 178.47 1jx6 h ALA 320 N 1.07 0.68 -0.38 6.32 0.00 -1.24 -2.04 119.26 123.67 1jx6 h ALA 320 Ca 0.08 -0.45 -0.13 0.00 0.00 0.00 0.00 54.91 54.41 1jx6 h ALA 320 Cb 0.77 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.43 1jx6 h ALA 320 CO 0.06 0.67 -0.28 0.93 0.00 0.00 0.00 179.25 180.63 1jx6 h GLU 321 N 0.67 0.80 -0.56 0.00 4.39 -1.03 -1.09 114.58 117.76 1jx6 h GLU 321 Ca 0.06 -0.36 -0.06 0.00 0.34 0.00 0.00 59.36 59.34 1jx6 h GLU 321 Cb 0.95 -0.02 -0.02 0.00 -0.10 0.00 0.00 28.75 29.55 1jx6 h GLU 321 CO 0.09 0.99 0.13 0.00 -1.16 0.00 0.00 179.01 179.05 1jx6 h ALA 322 N 0.99 0.74 -0.63 3.43 0.00 -0.85 -0.79 119.26 122.15 1jx6 h ALA 322 Ca 0.08 -0.23 -0.08 0.00 0.00 0.00 0.00 54.91 54.69 1jx6 h ALA 322 Cb 0.82 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 18.37 1jx6 h ALA 322 CO 0.07 0.45 0.09 0.82 0.00 0.00 0.00 179.25 180.68 1jx6 h ILE 323 N 0.80 1.26 -0.06 0.00 2.04 -1.23 -1.33 117.51 118.99 1jx6 h ILE 323 Ca 0.18 -1.03 0.00 0.00 1.00 0.00 0.00 64.86 65.01 1jx6 h ILE 323 Cb 0.35 0.67 -0.00 0.00 -0.74 0.00 0.00 36.82 37.10 1jx6 h ILE 323 CO 0.00 0.38 0.03 0.50 0.00 0.00 0.00 178.15 179.07 1jx6 h LYS 324 N 0.98 0.07 -0.92 2.37 3.64 -0.75 -0.49 116.57 121.47 1jx6 h LYS 324 Ca 0.19 -0.00 0.02 0.00 -1.27 0.00 0.00 60.65 59.58 1jx6 h LYS 324 Cb 0.44 -0.01 -0.05 0.00 -0.41 0.00 0.00 32.23 32.20 1jx6 h LYS 324 CO 0.01 0.04 0.61 -1.49 -2.27 0.00 0.00 179.45 176.35 1jx6 h TRP 325 N 0.07 1.14 -0.69 1.91 6.55 -0.93 -1.38 115.95 122.62 1jx6 h TRP 325 Ca 0.02 0.03 -0.04 0.00 0.95 0.00 0.00 58.89 59.85 1jx6 h TRP 325 Cb -0.00 -0.39 -0.03 0.00 -0.86 0.00 0.00 29.16 27.88 1jx6 h TRP 325 CO -0.08 0.71 0.27 0.22 -1.05 0.00 0.00 178.44 178.51 1jx6 h ASP 326 N 1.22 0.95 0.86 -3.49 -0.00 -0.74 0.22 116.42 115.44 1jx6 h ASP 326 Ca 0.34 -0.17 -0.01 0.00 -0.00 0.00 0.00 57.03 57.19 1jx6 h ASP 326 Cb -0.11 -0.25 -0.00 0.00 -0.00 0.00 0.00 39.33 38.98 1jx6 h ASP 326 CO -0.08 0.87 -0.04 -0.07 -0.00 0.00 0.00 179.24 179.91 1jx6 h LEU 327 N 0.98 0.00 -2.66 2.28 3.38 -0.42 -1.35 115.31 117.52 1jx6 h LEU 327 Ca 0.23 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.20 1jx6 h LEU 327 Cb 0.22 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.97 1jx6 h LEU 327 CO -0.02 0.04 0.00 -0.62 0.09 0.00 0.00 178.44 177.93 1jx6 n GLU 328 N -3.18 2.85 -3.46 1.13 1.02 -0.58 -4.86 120.64 113.56 1jx6 n GLU 328 Ca -0.00 -2.56 -0.25 0.00 -0.02 0.00 0.00 57.16 54.33 1jx6 n GLU 328 Cb 0.30 -1.62 0.03 0.00 -0.02 0.00 0.00 31.44 30.13 1jx6 n GLU 328 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 1jx6 n ASP 329 N 1.43 -5.27 -4.87 1.62 10.43 -0.51 -4.99 116.55 114.39 1jx6 n ASP 329 Ca 0.24 -0.50 -0.28 0.00 2.57 0.00 0.00 54.79 56.82 1jx6 n ASP 329 Cb 0.65 -4.24 -0.04 0.00 1.84 0.00 0.00 41.12 39.33 1jx6 n ASP 329 CO 0.00 0.00 0.00 -0.54 -1.07 0.00 0.00 177.20 175.59 1jx6 s LYS 330 N -6.15 3.19 0.38 -1.24 1.02 0.67 -5.01 119.74 112.60 1jx6 s LYS 330 Ca 0.48 -0.66 -0.27 0.00 0.02 0.00 0.00 55.97 55.54 1jx6 s LYS 330 Cb -0.23 -2.85 -0.09 0.00 -0.52 0.00 0.00 37.83 34.14 1jx6 s LYS 330 CO 0.60 0.53 1.25 -1.25 -0.92 0.00 0.00 175.35 175.56 1jx6 s PRO 331 N -2.92 4.13 -0.07 -1.68 0.04 -1.26 -4.27 135.00 128.96 1jx6 s PRO 331 Ca 0.33 2.06 0.05 0.00 0.04 0.00 0.00 61.00 63.48 1jx6 s PRO 331 Cb -0.11 -2.84 -0.01 0.00 0.04 0.00 0.00 34.50 31.58 1jx6 s PRO 331 CO 0.26 -0.33 -0.25 0.08 0.04 0.00 0.00 177.00 176.81 1jx6 s VAL 332 N -1.27 2.05 0.57 -0.36 1.01 -1.26 -4.95 120.40 116.19 1jx6 s VAL 332 Ca 0.54 -1.05 -0.21 0.00 0.00 0.00 0.00 61.98 61.27 1jx6 s VAL 332 Cb -0.36 -1.75 -0.04 0.00 0.00 0.00 0.00 36.38 34.23 1jx6 s VAL 332 CO 0.46 0.57 1.32 -2.16 0.00 0.00 0.00 175.10 175.29 1jx6 s PRO 333 N 0.01 3.05 0.34 2.72 0.04 -1.26 -4.91 135.00 134.98 1jx6 s PRO 333 Ca -0.09 2.12 0.15 0.00 0.04 0.00 0.00 61.00 63.22 1jx6 s PRO 333 Cb -0.15 -2.15 0.58 0.00 0.04 0.00 0.00 34.50 32.82 1jx6 s PRO 333 CO 0.05 -1.23 1.71 1.15 0.04 0.00 0.00 177.00 178.73 1jx6 h THR 334 N 1.23 1.17 -4.04 1.26 2.02 -1.90 -3.43 112.91 109.23 1jx6 h THR 334 Ca -0.51 -1.69 -0.18 0.00 0.77 0.00 0.00 66.41 64.80 1jx6 h THR 334 Cb 1.30 1.95 -0.19 0.00 -1.74 0.00 0.00 68.15 69.48 1jx6 h THR 334 CO 0.56 0.46 -0.70 0.54 0.37 0.00 0.00 175.52 176.75 1jx6 s VAL 335 N -3.73 0.27 -0.19 3.16 0.11 -1.26 -0.49 120.40 118.26 1jx6 s VAL 335 Ca -0.01 -1.32 -0.09 0.00 -2.93 0.00 0.00 61.98 57.63 1jx6 s VAL 335 Cb 0.12 -0.85 0.08 0.00 -1.53 0.00 0.00 36.38 34.20 1jx6 s VAL 335 CO 0.72 -0.67 0.44 -0.47 -3.33 0.00 0.00 175.10 171.79 1jx6 s TYR 336 N -2.43 -0.75 -0.07 1.54 5.04 -0.47 -4.66 117.35 115.54 1jx6 s TYR 336 Ca -0.05 1.49 0.05 0.00 -2.44 0.00 0.00 57.07 56.12 1jx6 s TYR 336 Cb -0.03 0.33 -0.01 0.00 0.35 0.00 0.00 41.96 42.60 1jx6 s TYR 336 CO -0.04 -0.43 -0.24 0.45 -1.34 0.00 0.00 175.55 173.94 1jx6 s SER 337 N 2.04 3.05 0.92 4.32 0.15 -1.26 -2.07 113.70 120.85 1jx6 s SER 337 Ca -0.06 -0.52 -0.13 0.00 0.70 0.00 0.00 55.95 55.94 1jx6 s SER 337 Cb -0.10 -1.03 0.19 0.00 -1.71 0.00 0.00 66.02 63.37 1jx6 s SER 337 CO -0.13 0.21 1.27 -0.83 1.20 0.00 0.00 173.24 174.95 1jx6 s GLY 338 N 0.02 1.78 0.35 9.45 0.00 -0.03 -4.94 107.32 113.96 1jx6 s GLY 338 Ca -0.09 -1.31 0.07 0.00 0.00 0.00 0.00 44.72 43.39 1jx6 s GLY 338 CO 0.05 -0.57 0.37 0.99 0.00 0.00 0.00 173.10 173.94 1jx6 s ASP 339 N -4.87 5.45 0.35 1.64 1.01 -1.26 -4.52 116.67 114.48 1jx6 s ASP 339 Ca 0.73 -0.45 0.09 0.00 0.71 0.00 0.00 52.55 53.63 1jx6 s ASP 339 Cb -0.04 -0.95 -0.07 0.00 1.01 0.00 0.00 42.92 42.87 1jx6 s ASP 339 CO 0.51 -0.45 -0.08 -0.36 0.21 0.00 0.00 175.17 175.01 1jx6 s PHE 340 N -2.30 2.43 -0.07 4.23 0.40 -1.26 -1.25 117.98 120.15 1jx6 s PHE 340 Ca 0.44 -0.52 -0.03 0.00 -0.60 0.00 0.00 56.93 56.21 1jx6 s PHE 340 Cb -0.07 -1.45 0.04 0.00 0.51 0.00 0.00 43.02 42.06 1jx6 s PHE 340 CO 0.28 0.56 0.16 -1.21 0.70 0.00 0.00 175.22 175.71 1jx6 s GLU 341 N -3.63 0.10 0.17 0.44 0.41 0.31 -4.95 118.70 111.55 1jx6 s GLU 341 Ca 0.33 0.42 -0.30 0.00 -0.41 0.00 0.00 54.97 55.01 1jx6 s GLU 341 Cb 0.04 -0.18 -0.07 0.00 -1.78 0.00 0.00 34.13 32.13 1jx6 s GLU 341 CO 0.17 -0.19 1.08 0.42 -0.49 0.00 0.00 175.26 176.25 1jx6 s ILE 342 N 1.35 3.93 -0.03 -1.63 -1.09 -1.26 -0.30 121.20 122.17 1jx6 s ILE 342 Ca -0.07 1.67 0.03 0.00 -2.23 0.00 0.00 60.65 60.05 1jx6 s ILE 342 Cb -0.12 -4.07 -0.00 0.00 -1.58 0.00 0.00 42.46 36.70 1jx6 s ILE 342 CO -0.06 0.29 -0.13 -0.69 -1.23 0.00 0.00 174.94 173.12 1jx6 s VAL 343 N -0.25 1.06 0.30 2.92 1.01 -0.35 -4.92 120.40 120.18 1jx6 s VAL 343 Ca 0.49 -0.52 0.04 0.00 0.00 0.00 0.00 61.98 61.99 1jx6 s VAL 343 Cb -0.29 -0.92 -0.06 0.00 0.00 0.00 0.00 36.38 35.11 1jx6 s VAL 343 CO 0.34 0.32 0.03 0.42 0.00 0.00 0.00 175.10 176.21 1jx6 s THR 344 N 0.09 1.21 -0.75 3.92 -4.23 -1.26 -0.92 115.64 113.69 1jx6 s THR 344 Ca -0.03 -2.02 0.20 0.00 -1.18 0.00 0.00 61.69 58.66 1jx6 s THR 344 Cb -0.09 -2.68 0.19 0.00 1.34 0.00 0.00 72.50 71.26 1jx6 s THR 344 CO 0.01 -0.09 1.61 2.29 -0.54 0.00 0.00 174.62 177.90 1jx6 n LYS 345 N -0.62 0.10 0.00 3.99 2.85 -0.57 -1.99 118.16 121.92 1jx6 n LYS 345 Ca -0.03 0.32 0.13 0.00 -1.05 0.00 0.00 58.31 57.68 1jx6 n LYS 345 Cb 0.66 -1.68 0.40 0.00 -0.65 0.00 0.00 35.03 33.76 1jx6 n LYS 345 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 1jx6 n ALA 346 N -1.64 3.08 -1.77 0.58 0.00 -1.26 -4.90 120.51 114.60 1jx6 n ALA 346 Ca 0.03 -0.27 -0.38 0.00 0.00 0.00 0.00 53.44 52.82 1jx6 n ALA 346 Cb 0.21 -1.25 -0.01 0.00 0.00 0.00 0.00 19.45 18.41 1jx6 n ALA 346 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1jx6 s ASP 347 N -2.92 6.28 0.64 0.00 1.01 -0.84 -5.00 116.67 115.84 1jx6 s ASP 347 Ca 0.14 2.49 -0.14 0.00 0.71 0.00 0.00 52.55 55.75 1jx6 s ASP 347 Cb 0.18 -2.62 -0.01 0.00 1.01 0.00 0.00 42.92 41.48 1jx6 s ASP 347 CO 0.62 -0.85 1.07 -0.94 0.21 0.00 0.00 175.17 175.27 1jx6 s SER 348 N -1.01 5.50 0.57 0.27 1.04 -1.26 -4.90 113.70 113.91 1jx6 s SER 348 Ca 0.59 1.79 0.31 0.00 0.48 0.00 0.00 55.95 59.12 1jx6 s SER 348 Cb -0.34 -2.52 1.73 0.00 0.10 0.00 0.00 66.02 64.99 1jx6 s SER 348 CO 0.42 -1.36 2.18 1.55 0.98 0.00 0.00 173.24 177.02 1jx6 h PRO 349 N -0.03 0.00 -0.22 4.02 0.13 -1.99 -1.42 132.00 132.48 1jx6 h PRO 349 Ca -0.46 0.00 -0.18 0.00 -0.87 0.00 0.00 66.00 64.49 1jx6 h PRO 349 Cb 1.22 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.35 1jx6 h PRO 349 CO 0.56 0.05 -0.59 0.93 -0.23 0.00 0.00 178.00 178.72 1jx6 h GLU 350 N 0.00 0.73 -0.59 0.86 3.07 -1.98 -0.33 114.58 116.34 1jx6 h GLU 350 Ca -0.00 -0.49 -0.09 0.00 -0.50 0.00 0.00 59.36 58.28 1jx6 h GLU 350 Cb 0.16 0.07 -0.02 0.00 -0.84 0.00 0.00 28.75 28.12 1jx6 h GLU 350 CO 0.01 1.11 0.02 -0.09 -1.40 0.00 0.00 179.01 178.66 1jx6 h ARG 351 N 0.55 1.02 -0.24 2.33 9.65 -1.65 -0.14 114.38 125.90 1jx6 h ARG 351 Ca -0.00 -0.30 -0.07 0.00 -1.10 0.00 0.00 59.98 58.51 1jx6 h ARG 351 Cb 1.18 -0.10 -0.01 0.00 -1.39 0.00 0.00 29.97 29.65 1jx6 h ARG 351 CO 0.12 0.99 -0.11 0.82 2.80 0.00 0.00 179.97 184.59 1jx6 h ILE 352 N 0.94 1.30 -0.70 1.20 1.08 -1.31 -1.92 117.51 118.10 1jx6 h ILE 352 Ca 0.17 -1.17 -0.06 0.00 -0.39 0.00 0.00 64.86 63.41 1jx6 h ILE 352 Cb 0.52 1.55 -0.03 0.00 -3.07 0.00 0.00 36.82 35.79 1jx6 h ILE 352 CO 0.03 0.36 0.20 -0.08 -0.69 0.00 0.00 178.15 177.97 1jx6 h GLU 353 N 0.23 1.08 -0.74 2.37 4.57 -0.94 -0.96 114.58 120.20 1jx6 h GLU 353 Ca 0.06 -0.23 -0.03 0.00 -1.18 0.00 0.00 59.36 57.97 1jx6 h GLU 353 Cb 0.60 -0.16 -0.03 0.00 -0.16 0.00 0.00 28.75 29.00 1jx6 h GLU 353 CO 0.03 0.93 0.33 0.00 -1.18 0.00 0.00 179.01 179.13 1jx6 h ALA 354 N 1.18 0.95 -0.42 2.92 0.00 -0.92 -1.47 119.26 121.50 1jx6 h ALA 354 Ca 0.22 -0.16 -0.12 0.00 0.00 0.00 0.00 54.91 54.85 1jx6 h ALA 354 Cb 0.31 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.80 1jx6 h ALA 354 CO -0.01 0.54 -0.23 -0.07 0.00 0.00 0.00 179.25 179.48 1jx6 h LEU 355 N 1.05 0.88 -1.24 0.00 3.38 -0.92 -2.74 115.31 115.72 1jx6 h LEU 355 Ca 0.25 -0.33 -0.06 0.00 0.09 0.00 0.00 57.88 57.83 1jx6 h LEU 355 Cb 0.16 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.65 1jx6 h LEU 355 CO -0.03 1.07 -0.16 0.11 0.09 0.00 0.00 178.44 179.52 1jx6 h LYS 356 N 0.74 0.32 -0.51 1.13 1.57 -0.87 0.17 116.57 119.13 1jx6 h LYS 356 Ca 0.10 -0.09 -0.07 0.00 -1.87 0.00 0.00 60.65 58.72 1jx6 h LYS 356 Cb 0.77 -0.04 -0.02 0.00 0.08 0.00 0.00 32.23 33.02 1jx6 h LYS 356 CO 0.06 0.49 0.04 -0.22 -0.57 0.00 0.00 179.45 179.25 1jx6 h LYS 357 N 0.30 0.83 0.02 3.15 1.63 -0.99 -0.63 116.57 120.88 1jx6 h LYS 357 Ca 0.06 -0.21 -0.00 0.00 -0.85 0.00 0.00 60.65 59.65 1jx6 h LYS 357 Cb 0.47 -0.10 0.00 0.00 -0.60 0.00 0.00 32.23 32.00 1jx6 h LYS 357 CO 0.03 0.80 -0.01 0.00 -3.45 0.00 0.00 179.45 176.82 1jx6 h ARG 358 N 0.78 -0.03 -0.62 1.90 2.47 -1.14 -3.21 114.38 114.54 1jx6 h ARG 358 Ca 0.16 0.00 -0.08 0.00 -1.26 0.00 0.00 59.98 58.80 1jx6 h ARG 358 Cb 0.41 0.01 -0.02 0.00 -1.65 0.00 0.00 29.97 28.71 1jx6 h ARG 358 CO 0.01 0.71 0.08 0.00 0.56 0.00 0.00 179.97 181.34 1jx6 h ALA 359 N -0.06 0.82 -0.52 0.04 0.00 -0.66 -3.28 119.26 115.61 1jx6 h ALA 359 Ca -0.00 -0.27 -0.32 0.00 0.00 0.00 0.00 54.91 54.31 1jx6 h ALA 359 Cb 0.75 -0.23 -0.20 0.00 0.00 0.00 0.00 17.79 18.11 1jx6 h ALA 359 CO 0.00 0.60 -0.13 1.19 0.00 0.00 0.00 179.25 180.91 1jx6 n PHE 360 N -4.26 1.71 -0.22 0.00 3.72 -0.25 -0.96 117.46 117.20 1jx6 n PHE 360 Ca 0.03 -1.92 0.24 0.00 -0.05 0.00 0.00 57.45 55.76 1jx6 n PHE 360 Cb 0.29 -0.58 0.62 0.00 -0.94 0.00 0.00 39.48 38.87 1jx6 n PHE 360 CO 0.00 0.00 0.00 0.07 -0.05 0.00 0.00 176.76 176.78 1jx6 h ARG 361 N 1.37 0.20 0.00 -1.08 0.11 -1.61 -0.84 114.38 112.52 1jx6 h ARG 361 Ca 0.30 -0.01 -0.33 0.00 0.10 0.00 0.00 59.98 60.05 1jx6 h ARG 361 Cb 1.54 -0.04 -0.06 0.00 1.11 0.00 0.00 29.97 32.52 1jx6 h ARG 361 CO 0.62 0.13 -2.21 0.66 0.10 0.00 0.00 179.97 179.27 1jx6 n TYR 362 N -4.40 0.00 0.50 4.08 4.02 -1.26 -4.59 117.16 115.50 1jx6 n TYR 362 Ca 0.20 0.00 0.13 0.00 -0.01 0.00 0.00 57.90 58.21 1jx6 n TYR 362 Cb 0.85 -0.81 0.43 0.00 -0.02 0.00 0.00 39.34 39.80 1jx6 n TYR 362 CO 0.00 0.00 0.00 0.66 -1.01 0.00 0.00 176.86 176.51 1jx6 h SER 363 N -0.15 0.00 0.00 7.72 4.64 -1.84 -3.44 113.55 120.48 1jx6 h SER 363 Ca -0.49 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.83 1jx6 h SER 363 Cb 1.69 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.78 1jx6 h SER 363 CO -0.12 0.00 0.00 0.47 -0.87 0.00 0.00 176.83 176.31