#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1juj n GLY 29 N 0.00 -0.85 0.00 1.57 0.00 -1.26 -4.32 105.19 100.33 1juj n GLY 29 Ca 0.00 -0.39 0.07 0.00 0.00 0.00 0.00 46.02 45.70 1juj n GLY 29 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1juj n GLU 30 N -2.30 0.04 0.09 1.61 2.13 -1.26 -2.95 120.64 118.01 1juj n GLU 30 Ca -0.11 0.23 -0.03 0.00 0.66 0.00 0.00 57.16 57.90 1juj n GLU 30 Cb 0.67 -1.50 0.18 0.00 0.27 0.00 0.00 31.44 31.06 1juj n GLU 30 CO 0.00 0.00 0.00 -0.07 -0.41 0.00 0.00 177.13 176.65 1juj h LEU 31 N 0.00 0.24 0.04 4.31 3.38 -2.00 -2.53 115.31 118.74 1juj h LEU 31 Ca 0.00 -0.12 -0.00 0.00 0.09 0.00 0.00 57.88 57.85 1juj h LEU 31 Cb 0.23 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 40.91 1juj h LEU 31 CO 0.00 0.71 -0.02 1.56 0.09 0.00 0.00 178.44 180.78 1juj h GLN 32 N 0.17 -0.05 0.42 1.13 4.20 -1.84 0.16 115.11 119.31 1juj h GLN 32 Ca 0.01 0.00 -0.01 0.00 0.06 0.00 0.00 58.65 58.71 1juj h GLN 32 Cb 0.96 0.01 -0.02 0.00 0.30 0.00 0.00 27.48 28.73 1juj h GLN 32 CO 0.08 -0.03 -0.38 -0.92 -0.67 0.00 0.00 178.83 176.91 1juj h TYR 33 N -0.05 -1.03 -0.61 2.96 5.03 -1.73 -0.06 116.97 121.47 1juj h TYR 33 Ca -0.01 0.00 0.12 0.00 2.58 0.00 0.00 58.73 61.43 1juj h TYR 33 Cb 0.04 0.40 -0.12 0.00 1.55 0.00 0.00 36.73 38.60 1juj h TYR 33 CO -0.08 -0.54 -0.21 -0.07 -1.32 0.00 0.00 178.16 175.94 1juj h LEU 34 N -0.81 -0.76 -0.69 2.82 3.38 -1.29 -0.61 115.31 117.35 1juj h LEU 34 Ca -0.04 0.20 0.07 0.00 0.09 0.00 0.00 57.88 58.20 1juj h LEU 34 Cb 0.71 0.45 -0.06 0.00 0.09 0.00 0.00 40.66 41.85 1juj h LEU 34 CO -0.04 -0.24 0.37 1.23 0.09 0.00 0.00 178.44 179.85 1juj h GLY 35 N -0.06 1.02 1.65 0.83 0.00 -0.22 0.33 103.07 106.61 1juj h GLY 35 Ca 0.28 -0.25 0.02 0.00 0.00 0.00 0.00 47.33 47.37 1juj h GLY 35 CO -0.65 0.13 0.21 1.46 0.00 0.00 0.00 176.54 177.68 1juj h GLN 36 N 0.67 0.35 -0.11 4.80 4.20 0.52 0.32 115.11 125.86 1juj h GLN 36 Ca 0.32 -0.02 -0.23 0.00 0.06 0.00 0.00 58.65 58.78 1juj h GLN 36 Cb 0.24 -0.08 0.01 0.00 0.30 0.00 0.00 27.48 27.96 1juj h GLN 36 CO -0.21 0.23 -0.82 0.82 -0.67 0.00 0.00 178.83 178.19 1juj h ILE 37 N 0.36 1.29 -0.68 2.54 2.04 -0.21 -1.45 117.51 121.39 1juj h ILE 37 Ca 0.12 -2.03 0.03 0.00 1.00 0.00 0.00 64.86 63.98 1juj h ILE 37 Cb 0.04 2.12 -0.04 0.00 -0.74 0.00 0.00 36.82 38.20 1juj h ILE 37 CO -0.03 0.64 0.45 -0.61 0.00 0.00 0.00 178.15 178.60 1juj h GLN 38 N 0.45 0.82 0.12 2.37 5.75 0.16 -2.57 115.11 122.20 1juj h GLN 38 Ca -0.07 -0.05 -0.01 0.00 -0.15 0.00 0.00 58.65 58.37 1juj h GLN 38 Cb 1.46 -0.18 0.00 0.00 1.07 0.00 0.00 27.48 29.82 1juj h GLN 38 CO 0.17 0.54 -0.06 1.25 -2.65 0.00 0.00 178.83 178.08 1juj h HIS 39 N 0.84 -0.15 0.00 3.99 2.76 -0.37 -2.92 115.15 119.30 1juj h HIS 39 Ca 0.27 -0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.44 1juj h HIS 39 Cb 0.04 0.05 0.00 0.00 1.55 0.00 0.00 27.41 29.05 1juj h HIS 39 CO -0.00 0.27 0.32 0.82 -1.30 0.00 0.00 177.93 178.04 1juj h ILE 40 N -0.95 0.00 0.00 6.26 2.04 -1.18 0.13 117.51 123.82 1juj h ILE 40 Ca -0.02 0.00 -0.29 0.00 1.00 0.00 0.00 64.86 65.55 1juj h ILE 40 Cb 0.48 0.38 -0.05 0.00 -0.74 0.00 0.00 36.82 36.88 1juj h ILE 40 CO 0.03 0.00 -1.97 0.18 0.00 0.00 0.00 178.15 176.38 1juj n LEU 41 N -2.26 0.45 -0.73 1.44 4.77 -0.98 -3.18 117.00 116.51 1juj n LEU 41 Ca -0.01 0.21 0.08 0.00 -0.03 0.00 0.00 56.01 56.26 1juj n LEU 41 Cb 0.34 0.29 0.11 0.00 -2.33 0.00 0.00 43.42 41.83 1juj n LEU 41 CO 0.08 0.38 0.55 0.54 -1.33 0.00 0.00 177.39 177.61 1juj n ARG 42 N -2.85 1.66 0.00 3.23 1.74 0.33 -4.60 116.66 116.16 1juj n ARG 42 Ca -0.22 -1.68 0.00 0.00 -0.77 0.00 0.00 57.85 55.18 1juj n ARG 42 Cb 1.04 -1.34 0.00 0.00 -1.02 0.00 0.00 32.46 31.15 1juj n ARG 42 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1juj s GLY 44 N 0.00 1.58 0.04 0.00 0.00 -1.19 -4.99 107.32 102.77 1juj s GLY 44 Ca 0.00 -0.94 0.05 0.00 0.00 0.00 0.00 44.72 43.82 1juj s GLY 44 CO 0.00 -0.06 -0.14 0.14 0.00 0.00 0.00 173.10 173.04 1juj s VAL 45 N -3.01 1.08 0.35 1.40 1.01 -0.75 -4.85 120.40 115.63 1juj s VAL 45 Ca 0.71 -1.02 -0.28 0.00 0.00 0.00 0.00 61.98 61.38 1juj s VAL 45 Cb -0.10 -0.99 -0.11 0.00 0.00 0.00 0.00 36.38 35.18 1juj s VAL 45 CO 0.56 -0.03 1.43 -1.61 0.00 0.00 0.00 175.10 175.44 1juj s GLU 46 N -1.21 4.20 0.13 2.72 2.02 -1.26 -1.68 118.70 123.63 1juj s GLU 46 Ca 0.01 2.43 -0.10 0.00 0.02 0.00 0.00 54.97 57.34 1juj s GLU 46 Cb -0.08 -3.02 -0.00 0.00 0.10 0.00 0.00 34.13 31.13 1juj s GLU 46 CO 0.01 -0.41 0.26 0.15 0.02 0.00 0.00 175.26 175.29 1juj s LYS 47 N -1.80 1.03 0.41 1.61 1.02 -0.40 -4.90 119.74 116.71 1juj s LYS 47 Ca 0.52 -1.04 0.08 0.00 0.02 0.00 0.00 55.97 55.55 1juj s LYS 47 Cb -0.44 0.37 -0.02 0.00 -0.52 0.00 0.00 37.83 37.22 1juj s LYS 47 CO 0.58 -0.36 0.35 -0.51 -0.92 0.00 0.00 175.35 174.48 1juj s ASP 48 N -2.91 5.02 0.29 2.83 1.11 -1.26 -3.61 116.67 118.13 1juj s ASP 48 Ca 0.11 -0.75 -0.18 0.00 0.18 0.00 0.00 52.55 51.91 1juj s ASP 48 Cb 0.04 -0.60 0.02 0.00 1.07 0.00 0.00 42.92 43.44 1juj s ASP 48 CO -0.06 -0.61 0.66 1.51 1.18 0.00 0.00 175.17 177.86 1juj s ASP 49 N -4.10 -0.16 0.37 0.27 -4.77 -1.26 -4.99 116.67 102.03 1juj s ASP 49 Ca 0.47 -0.77 0.08 0.00 -3.30 0.00 0.00 52.55 49.02 1juj s ASP 49 Cb -0.03 0.71 0.79 0.00 -1.09 0.00 0.00 42.92 43.30 1juj s ASP 49 CO 0.27 -1.33 1.93 0.08 0.70 0.00 0.00 175.17 176.82 1juj h ARG 50 N 2.07 0.68 0.00 2.11 0.11 -1.99 -2.15 114.38 115.20 1juj h ARG 50 Ca -0.22 -0.04 -0.00 0.00 0.10 0.00 0.00 59.98 59.81 1juj h ARG 50 Cb 1.25 -0.15 -0.00 0.00 1.11 0.00 0.00 29.97 32.18 1juj h ARG 50 CO 0.28 0.45 -0.00 1.79 0.10 0.00 0.00 179.97 182.59 1juj h THR 51 N 0.70 0.01 0.00 0.08 1.35 -1.95 -3.45 112.91 109.65 1juj h THR 51 Ca 0.35 -0.25 0.00 0.00 -0.55 0.00 0.00 66.41 65.96 1juj h THR 51 Cb 0.43 1.25 0.00 0.00 -1.73 0.00 0.00 68.15 68.10 1juj h THR 51 CO -0.13 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 175.75 1juj n GLY 52 N -0.53 2.12 3.73 5.82 0.00 -0.81 -4.93 105.19 110.59 1juj n GLY 52 Ca -0.01 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.71 1juj n GLY 52 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1juj s THR 53 N -2.67 1.73 0.00 2.61 2.01 -1.26 -4.94 115.64 113.12 1juj s THR 53 Ca 0.00 0.00 0.00 0.00 0.31 0.00 0.00 61.69 62.00 1juj s THR 53 Cb 0.00 -2.70 0.00 0.00 0.01 0.00 0.00 72.50 69.81 1juj s THR 53 CO 0.00 0.00 0.00 0.61 -0.69 0.00 0.00 174.62 174.54 1juj n GLY 54 N -2.11 0.36 0.00 4.40 0.00 -1.26 -4.36 105.19 102.22 1juj n GLY 54 Ca 0.15 -1.81 0.00 0.00 0.00 0.00 0.00 46.02 44.36 1juj n GLY 54 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 1juj n THR 55 N -0.14 0.00 -4.29 2.61 5.66 -1.24 -4.06 114.28 112.81 1juj n THR 55 Ca 0.00 0.00 -0.34 0.00 -3.05 0.00 0.00 64.05 60.66 1juj n THR 55 Cb 0.00 0.00 -0.11 0.00 -1.55 0.00 0.00 70.33 68.67 1juj n THR 55 CO 0.00 0.00 0.00 -0.76 -3.05 0.00 0.00 175.07 171.26 1juj s LEU 56 N 0.00 3.41 0.21 1.09 1.02 -0.69 -1.27 118.68 122.44 1juj s LEU 56 Ca 0.00 -0.07 0.02 0.00 0.02 0.00 0.00 54.13 54.10 1juj s LEU 56 Cb 0.00 -1.83 -0.05 0.00 0.02 0.00 0.00 46.19 44.33 1juj s LEU 56 CO 0.00 0.17 0.03 -0.94 0.02 0.00 0.00 176.35 175.64 1juj s SER 57 N 0.34 1.27 -0.04 2.29 1.04 -0.67 -0.85 113.70 117.09 1juj s SER 57 Ca -0.02 -1.25 -0.10 0.00 0.48 0.00 0.00 55.95 55.06 1juj s SER 57 Cb -0.14 0.12 0.02 0.00 0.10 0.00 0.00 66.02 66.12 1juj s SER 57 CO 0.02 -0.61 0.24 -0.69 0.98 0.00 0.00 173.24 173.17 1juj s VAL 58 N -3.66 0.05 -0.17 5.02 1.01 -1.02 -1.80 120.40 119.82 1juj s VAL 58 Ca 0.29 -0.38 -0.02 0.00 0.00 0.00 0.00 61.98 61.87 1juj s VAL 58 Cb 0.07 -0.47 -0.01 0.00 0.00 0.00 0.00 36.38 35.96 1juj s VAL 58 CO 0.08 -0.21 -0.10 0.12 0.00 0.00 0.00 175.10 174.99 1juj s PHE 59 N -0.85 2.88 -0.00 5.22 5.36 -1.26 -1.56 117.98 127.77 1juj s PHE 59 Ca -0.09 -0.84 -0.00 0.00 -0.96 0.00 0.00 56.93 55.03 1juj s PHE 59 Cb -0.05 -1.96 0.00 0.00 -0.34 0.00 0.00 43.02 40.67 1juj s PHE 59 CO 0.02 -0.40 0.00 0.41 -1.46 0.00 0.00 175.22 173.80 1juj n GLY 60 N 4.14 -2.94 3.23 13.12 0.00 -0.48 -5.03 105.19 117.24 1juj n GLY 60 Ca -0.18 -0.46 -0.11 0.00 0.00 0.00 0.00 46.02 45.26 1juj n GLY 60 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 1juj s MET 61 N -1.57 0.78 -0.16 1.61 1.75 -1.13 -4.99 119.30 115.60 1juj s MET 61 Ca -0.00 -0.52 -0.06 0.00 -1.25 0.00 0.00 55.69 53.86 1juj s MET 61 Cb 0.00 0.33 0.07 0.00 2.84 0.00 0.00 34.83 38.07 1juj s MET 61 CO 0.01 -0.24 0.33 -1.14 -0.65 0.00 0.00 175.02 173.33 1juj s GLN 62 N -2.50 0.25 0.23 4.11 0.74 -1.26 -0.67 119.66 120.55 1juj s GLN 62 Ca -0.05 0.83 0.11 0.00 0.05 0.00 0.00 55.36 56.29 1juj s GLN 62 Cb -0.01 0.08 -0.05 0.00 1.10 0.00 0.00 33.01 34.14 1juj s GLN 62 CO -0.03 -0.24 -0.21 0.00 -0.55 0.00 0.00 175.29 174.26 1juj s ALA 63 N 2.22 2.50 -0.17 1.58 0.00 -0.53 -4.99 121.76 122.37 1juj s ALA 63 Ca -0.02 -1.72 -0.02 0.00 0.00 0.00 0.00 51.96 50.20 1juj s ALA 63 Cb -0.11 -0.26 0.05 0.00 0.00 0.00 0.00 23.12 22.80 1juj s ALA 63 CO -0.11 0.31 0.01 0.50 0.00 0.00 0.00 175.76 176.48 1juj s ARG 64 N -3.12 0.79 -0.14 0.00 3.52 -1.26 -0.56 118.95 118.17 1juj s ARG 64 Ca 0.24 -0.35 -0.07 0.00 -0.13 0.00 0.00 55.73 55.42 1juj s ARG 64 Cb -0.06 -1.90 -0.04 0.00 -1.56 0.00 0.00 34.95 31.40 1juj s ARG 64 CO 0.11 -0.55 0.09 0.71 -0.81 0.00 0.00 175.30 174.86 1juj s TYR 65 N 1.83 3.40 -0.04 5.12 1.51 -0.36 -4.96 117.35 123.86 1juj s TYR 65 Ca 0.00 0.31 -0.27 0.00 -1.01 0.00 0.00 57.07 56.11 1juj s TYR 65 Cb -0.16 -1.99 -0.03 0.00 -0.11 0.00 0.00 41.96 39.67 1juj s TYR 65 CO -0.07 0.46 0.84 0.45 -1.11 0.00 0.00 175.55 176.11 1juj s SER 66 N -0.39 7.17 0.00 2.29 0.15 -1.26 -0.59 113.70 121.07 1juj s SER 66 Ca 0.10 1.41 0.24 0.00 0.70 0.00 0.00 55.95 58.40 1juj s SER 66 Cb -0.12 -2.49 0.34 0.00 -1.71 0.00 0.00 66.02 62.04 1juj s SER 66 CO 0.02 -0.19 1.35 0.18 1.20 0.00 0.00 173.24 175.79 1juj n LEU 67 N 3.89 3.32 -4.57 3.45 4.32 0.16 -4.80 117.00 122.77 1juj n LEU 67 Ca 0.02 -1.32 -0.41 0.00 -0.02 0.00 0.00 56.01 54.28 1juj n LEU 67 Cb 0.51 -0.16 -0.03 0.00 -1.62 0.00 0.00 43.42 42.12 1juj n LEU 67 CO 0.49 0.66 1.30 -0.13 -1.22 0.00 0.00 177.39 178.49 1juj s ARG 68 N -1.67 3.19 -1.01 3.23 0.52 -1.24 -3.79 118.95 118.17 1juj s ARG 68 Ca 0.35 0.39 -0.01 0.00 -0.52 0.00 0.00 55.73 55.94 1juj s ARG 68 Cb 0.22 -4.17 -0.01 0.00 0.52 0.00 0.00 34.95 31.50 1juj s ARG 68 CO 0.31 -2.09 0.85 -0.25 0.02 0.00 0.00 175.30 174.15 1juj n ASP 69 N 10.03 -2.79 0.00 0.23 9.92 -1.26 -5.01 116.55 127.67 1juj n ASP 69 Ca 0.12 -0.55 0.00 0.00 -0.53 0.00 0.00 54.79 53.83 1juj n ASP 69 Cb 0.50 -4.51 0.00 0.00 -0.64 0.00 0.00 41.12 36.46 1juj n ASP 69 CO 0.00 0.00 0.00 -1.84 0.13 0.00 0.00 177.20 175.49 1juj n GLU 70 N -3.57 0.00 -5.08 -1.24 0.28 -1.25 -4.98 120.64 104.80 1juj n GLU 70 Ca -0.21 0.00 -0.32 0.00 -0.16 0.00 0.00 57.16 56.46 1juj n GLU 70 Cb 0.64 0.00 -0.16 0.00 1.43 0.00 0.00 31.44 33.34 1juj n GLU 70 CO 0.00 0.00 0.00 0.12 -0.16 0.00 0.00 177.13 177.09 1juj s PHE 71 N -2.00 2.62 -0.99 -1.84 5.36 -0.99 -4.59 117.98 115.55 1juj s PHE 71 Ca 0.00 -1.00 -0.12 0.00 -0.96 0.00 0.00 56.93 54.85 1juj s PHE 71 Cb 0.00 -1.75 -0.08 0.00 -0.34 0.00 0.00 43.02 40.85 1juj s PHE 71 CO 0.00 -0.40 2.15 -2.30 -1.46 0.00 0.00 175.22 173.21 1juj n PRO 72 N 3.57 2.13 -3.45 10.12 -0.02 -1.26 -3.98 135.00 142.12 1juj n PRO 72 Ca -0.19 -1.77 -0.43 0.00 -2.02 0.00 0.00 63.50 59.09 1juj n PRO 72 Cb 0.53 -2.72 -0.07 0.00 -0.02 0.00 0.00 33.50 31.23 1juj n PRO 72 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 1juj s LEU 73 N 0.65 5.96 0.23 2.45 2.96 -1.26 -4.28 118.68 125.39 1juj s LEU 73 Ca 0.49 -1.97 -0.13 0.00 -0.22 0.00 0.00 54.13 52.30 1juj s LEU 73 Cb 0.13 -2.10 -0.09 0.00 0.50 0.00 0.00 46.19 44.63 1juj s LEU 73 CO 0.01 -0.74 0.07 0.18 -1.32 0.00 0.00 176.35 174.56 1juj n LEU 74 N 4.91 -1.60 -0.01 -0.68 4.77 -1.26 -4.70 117.00 118.42 1juj n LEU 74 Ca -0.08 0.49 -0.01 0.00 -0.03 0.00 0.00 56.01 56.39 1juj n LEU 74 Cb 0.41 -0.52 -0.02 0.00 -2.33 0.00 0.00 43.42 40.96 1juj n LEU 74 CO 0.46 -2.40 -0.57 0.35 -1.33 0.00 0.00 177.39 173.90 1juj n THR 75 N -0.54 0.13 0.81 -5.08 -2.24 -1.26 -4.57 114.28 101.53 1juj n THR 75 Ca 0.07 -0.10 0.05 0.00 -2.27 0.00 0.00 64.05 61.80 1juj n THR 75 Cb 0.23 -0.57 0.28 0.00 -2.10 0.00 0.00 70.33 68.16 1juj n THR 75 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 1juj n THR 76 N -1.96 0.00 -3.45 4.28 -2.24 -1.26 0.02 114.28 109.67 1juj n THR 76 Ca -0.03 0.00 -0.12 0.00 -2.27 0.00 0.00 64.05 61.63 1juj n THR 76 Cb 0.45 -0.65 -0.03 0.00 -2.10 0.00 0.00 70.33 68.00 1juj n THR 76 CO 0.00 0.00 0.00 -0.75 -0.57 0.00 0.00 175.07 173.75 1juj s LYS 77 N -2.00 1.23 -0.25 -0.78 2.20 -1.26 -4.67 119.74 114.22 1juj s LYS 77 Ca 0.14 -0.44 -0.15 0.00 -0.36 0.00 0.00 55.97 55.16 1juj s LYS 77 Cb 0.06 0.57 -0.04 0.00 -1.51 0.00 0.00 37.83 36.91 1juj s LYS 77 CO 0.11 -0.52 0.39 0.50 -0.36 0.00 0.00 175.35 175.47 1juj s ARG 78 N -3.54 4.08 -0.09 4.03 3.52 -1.15 -4.48 118.95 121.31 1juj s ARG 78 Ca 0.00 0.12 -0.11 0.00 -0.13 0.00 0.00 55.73 55.61 1juj s ARG 78 Cb -0.01 -3.61 -0.05 0.00 -1.56 0.00 0.00 34.95 29.72 1juj s ARG 78 CO -0.11 -0.20 0.25 0.08 -0.81 0.00 0.00 175.30 174.52 1juj s VAL 79 N 1.82 5.31 -0.87 7.11 1.01 -1.26 -4.82 120.40 128.69 1juj s VAL 79 Ca 0.17 0.48 -0.21 0.00 0.00 0.00 0.00 61.98 62.41 1juj s VAL 79 Cb -0.15 -3.55 -0.13 0.00 0.00 0.00 0.00 36.38 32.55 1juj s VAL 79 CO 0.09 0.56 1.95 0.33 0.00 0.00 0.00 175.10 178.03 1juj n PHE 80 N 2.29 2.13 -0.11 5.22 -0.00 -1.26 -4.73 117.46 121.01 1juj n PHE 80 Ca -0.16 -1.91 0.25 0.00 -0.00 0.00 0.00 57.45 55.63 1juj n PHE 80 Cb 0.53 -1.87 0.71 0.00 -0.00 0.00 0.00 39.48 38.86 1juj n PHE 80 CO 0.00 0.00 0.00 2.35 -0.00 0.00 0.00 176.76 179.11 1juj h TRP 81 N 7.84 0.00 -0.16 -5.13 7.01 -2.00 -1.14 115.95 122.38 1juj h TRP 81 Ca 0.42 0.00 0.02 0.00 2.11 0.00 0.00 58.89 61.44 1juj h TRP 81 Cb 0.69 0.00 -0.02 0.00 -2.10 0.00 0.00 29.16 27.73 1juj h TRP 81 CO 1.26 0.00 0.04 0.87 -2.79 0.00 0.00 178.44 177.83 1juj h LYS 82 N 0.00 0.11 -0.64 2.65 1.79 -2.00 -1.47 116.57 117.01 1juj h LYS 82 Ca 0.36 -0.01 -0.08 0.00 -2.18 0.00 0.00 60.65 58.74 1juj h LYS 82 Cb 1.45 -0.03 -0.03 0.00 -1.58 0.00 0.00 32.23 32.05 1juj h LYS 82 CO -0.00 0.07 0.09 0.78 -1.08 0.00 0.00 179.45 179.31 1juj h GLY 83 N 0.12 1.14 0.19 3.86 0.00 -1.59 -0.63 103.07 106.16 1juj h GLY 83 Ca 0.07 -0.76 -0.00 0.00 0.00 0.00 0.00 47.33 46.63 1juj h GLY 83 CO -0.08 0.71 -0.25 -2.08 0.00 0.00 0.00 176.54 174.84 1juj h VAL 84 N 0.99 0.00 -0.78 4.60 2.07 -1.17 -0.11 116.25 121.85 1juj h VAL 84 Ca 0.19 0.00 0.11 0.00 0.82 0.00 0.00 66.70 67.82 1juj h VAL 84 Cb 0.45 0.00 -0.08 0.00 -1.52 0.00 0.00 31.29 30.14 1juj h VAL 84 CO 0.02 0.00 0.41 0.25 0.02 0.00 0.00 177.57 178.26 1juj h LEU 85 N -0.45 0.53 -0.61 2.57 6.46 -1.20 -2.36 115.31 120.25 1juj h LEU 85 Ca -0.02 0.07 -0.06 0.00 -0.12 0.00 0.00 57.88 57.75 1juj h LEU 85 Cb 0.41 -0.03 -0.03 0.00 -0.73 0.00 0.00 40.66 40.29 1juj h LEU 85 CO -0.06 0.28 0.16 -0.33 -0.62 0.00 0.00 178.44 177.87 1juj h GLU 86 N 0.66 0.98 -0.37 1.25 4.39 -0.97 -2.12 114.58 118.39 1juj h GLU 86 Ca 0.40 -0.23 -0.01 0.00 0.34 0.00 0.00 59.36 59.86 1juj h GLU 86 Cb 0.45 -0.13 -0.02 0.00 -0.10 0.00 0.00 28.75 28.95 1juj h GLU 86 CO -0.29 0.88 0.21 1.49 -1.16 0.00 0.00 179.01 180.14 1juj h GLU 87 N 0.89 0.51 -0.48 2.33 4.81 -0.51 0.23 114.58 122.37 1juj h GLU 87 Ca 0.19 -0.05 -0.03 0.00 -0.13 0.00 0.00 59.36 59.34 1juj h GLU 87 Cb 0.34 -0.10 -0.02 0.00 0.63 0.00 0.00 28.75 29.59 1juj h GLU 87 CO -0.00 0.41 0.17 1.25 -0.73 0.00 0.00 179.01 180.11 1juj h LEU 88 N 0.48 0.68 -1.07 1.64 6.46 -1.39 0.22 115.31 122.34 1juj h LEU 88 Ca 0.13 -0.19 -0.01 0.00 -0.12 0.00 0.00 57.88 57.70 1juj h LEU 88 Cb 0.03 -0.18 -0.04 0.00 -0.73 0.00 0.00 40.66 39.75 1juj h LEU 88 CO -0.02 0.69 0.48 -0.07 -0.62 0.00 0.00 178.44 178.90 1juj h LEU 89 N 0.64 1.00 -0.91 2.25 4.07 -1.15 -1.63 115.31 119.58 1juj h LEU 89 Ca 0.16 -0.07 -0.02 0.00 0.08 0.00 0.00 57.88 58.03 1juj h LEU 89 Cb 0.23 -0.25 -0.04 0.00 1.08 0.00 0.00 40.66 41.68 1juj h LEU 89 CO -0.01 0.78 0.48 -0.25 -1.08 0.00 0.00 178.44 178.36 1juj h TRP 90 N 1.14 1.23 0.42 1.13 7.01 0.66 -2.68 115.95 124.86 1juj h TRP 90 Ca 0.30 -0.03 -0.02 0.00 2.11 0.00 0.00 58.89 61.24 1juj h TRP 90 Cb -0.03 -0.39 0.00 0.00 -2.10 0.00 0.00 29.16 26.65 1juj h TRP 90 CO 0.01 0.86 -0.20 0.74 -2.79 0.00 0.00 178.44 177.05 1juj h PHE 91 N 1.25 -0.52 -1.01 2.65 0.04 0.11 -3.09 116.94 116.36 1juj h PHE 91 Ca 0.31 -0.01 0.26 0.00 2.80 0.00 0.00 57.97 61.33 1juj h PHE 91 Cb 0.04 0.17 -0.07 0.00 2.20 0.00 0.00 35.95 38.29 1juj h PHE 91 CO 0.01 -0.20 0.67 0.82 -0.60 0.00 0.00 178.31 179.01 1juj h ILE 92 N -0.87 0.55 0.00 -0.55 1.08 -1.31 0.65 117.51 117.06 1juj h ILE 92 Ca -0.06 -0.10 -0.04 0.00 -0.39 0.00 0.00 64.86 64.27 1juj h ILE 92 Cb 0.56 0.22 -0.01 0.00 -3.07 0.00 0.00 36.82 34.52 1juj h ILE 92 CO 0.09 0.06 -0.17 0.50 -0.69 0.00 0.00 178.15 177.94 1juj h LYS 93 N 0.30 0.00 0.00 2.37 3.64 -1.39 -3.47 116.57 118.02 1juj h LYS 93 Ca 0.54 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.92 1juj h LYS 93 Cb 1.55 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.37 1juj h LYS 93 CO -0.20 0.17 0.00 0.41 -2.27 0.00 0.00 179.45 177.56 1juj n GLY 94 N -1.04 0.69 3.79 5.01 0.00 0.23 -5.04 105.19 108.82 1juj n GLY 94 Ca -0.02 -0.11 -0.32 0.00 0.00 0.00 0.00 46.02 45.57 1juj n GLY 94 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1juj s SER 95 N -2.10 5.22 0.00 1.61 0.15 -1.22 -3.91 113.70 113.45 1juj s SER 95 Ca 0.00 1.79 0.00 0.00 0.70 0.00 0.00 55.95 58.44 1juj s SER 95 Cb 0.00 -2.52 0.00 0.00 -1.71 0.00 0.00 66.02 61.79 1juj s SER 95 CO 0.00 -1.55 0.07 0.35 1.20 0.00 0.00 173.24 173.32 1juj n THR 96 N -2.82 0.00 -2.58 6.45 -2.24 -1.26 -4.46 114.28 107.38 1juj n THR 96 Ca 0.09 -0.10 -0.42 0.00 -2.27 0.00 0.00 64.05 61.35 1juj n THR 96 Cb 0.53 1.58 -0.03 0.00 -2.10 0.00 0.00 70.33 70.32 1juj n THR 96 CO 0.00 0.00 0.00 0.20 -0.57 0.00 0.00 175.07 174.70 1juj s ASN 97 N -0.05 6.38 0.00 3.42 0.01 -1.25 -2.70 114.94 120.74 1juj s ASN 97 Ca 0.00 -0.03 0.00 0.00 -0.71 0.00 0.00 52.86 52.13 1juj s ASN 97 Cb 0.00 -2.55 0.01 0.00 0.41 0.00 0.00 41.25 39.11 1juj s ASN 97 CO 0.00 -1.56 0.95 0.00 -1.51 0.00 0.00 177.10 174.97 1juj n ALA 98 N 8.66 1.06 -0.03 0.60 0.00 0.15 -0.81 120.51 130.14 1juj n ALA 98 Ca 0.07 -0.00 -0.15 0.00 0.00 0.00 0.00 53.44 53.36 1juj n ALA 98 Cb 0.49 -1.00 -0.12 0.00 0.00 0.00 0.00 19.45 18.82 1juj n ALA 98 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 1juj h LYS 99 N 0.00 0.14 -0.64 0.00 1.57 -1.89 -3.05 116.57 112.71 1juj h LYS 99 Ca 0.00 -0.16 0.13 0.00 -1.87 0.00 0.00 60.65 58.75 1juj h LYS 99 Cb 0.00 0.05 -0.12 0.00 0.08 0.00 0.00 32.23 32.24 1juj h LYS 99 CO 0.00 0.92 -0.17 0.93 -0.57 0.00 0.00 179.45 180.56 1juj h GLU 100 N -0.57 -0.01 -0.01 3.15 5.08 -1.35 0.48 114.58 121.35 1juj h GLU 100 Ca -0.03 0.00 -0.07 0.00 -1.00 0.00 0.00 59.36 58.26 1juj h GLU 100 Cb 1.00 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.24 1juj h GLU 100 CO 0.04 -0.01 -0.33 1.25 -1.00 0.00 0.00 179.01 178.97 1juj h LEU 101 N -0.01 0.02 -0.82 1.33 5.85 -1.68 -2.10 115.31 117.90 1juj h LEU 101 Ca 0.30 -0.01 -0.10 0.00 0.84 0.00 0.00 57.88 58.91 1juj h LEU 101 Cb 0.47 -0.01 -0.01 0.00 0.37 0.00 0.00 40.66 41.49 1juj h LEU 101 CO -0.66 0.35 -0.22 -1.28 -0.34 0.00 0.00 178.44 176.28 1juj h SER 102 N 0.02 0.64 -0.59 1.25 0.87 -0.08 -2.22 113.55 113.44 1juj h SER 102 Ca -0.00 -0.22 0.07 0.00 -1.23 0.00 0.00 61.79 60.41 1juj h SER 102 Cb 0.59 -0.18 -0.04 0.00 -0.44 0.00 0.00 62.40 62.34 1juj h SER 102 CO 0.04 0.86 0.39 0.28 -0.53 0.00 0.00 176.83 177.88 1juj h SER 103 N 0.56 0.48 1.12 6.23 0.02 0.00 0.77 113.55 122.73 1juj h SER 103 Ca 0.08 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.03 1juj h SER 103 Cb 0.69 -0.10 0.00 0.00 0.14 0.00 0.00 62.40 63.13 1juj h SER 103 CO 0.05 0.31 -0.05 0.29 -1.14 0.00 0.00 176.83 176.29 1juj n LYS 104 N -4.48 0.09 0.00 3.45 4.76 -0.98 -4.91 118.16 116.10 1juj n LYS 104 Ca 0.09 0.07 0.00 0.00 -2.87 0.00 0.00 58.31 55.60 1juj n LYS 104 Cb 0.26 -1.60 0.00 0.00 -1.84 0.00 0.00 35.03 31.85 1juj n LYS 104 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1juj n GLY 105 N 1.44 1.63 2.99 0.72 0.00 0.26 -5.07 105.19 107.16 1juj n GLY 105 Ca 0.06 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.78 1juj n GLY 105 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1juj s VAL 106 N -2.00 2.28 -0.72 1.61 1.01 -0.87 -4.97 120.40 116.74 1juj s VAL 106 Ca 0.00 -2.49 0.26 0.00 0.00 0.00 0.00 61.98 59.75 1juj s VAL 106 Cb 0.00 -2.67 0.29 0.00 0.00 0.00 0.00 36.38 34.00 1juj s VAL 106 CO 0.00 -0.64 1.77 0.29 0.00 0.00 0.00 175.10 176.52 1juj n LYS 107 N 4.06 0.27 0.00 2.72 4.76 -1.26 -3.46 118.16 125.25 1juj n LYS 107 Ca 0.04 0.23 0.14 0.00 -2.87 0.00 0.00 58.31 55.85 1juj n LYS 107 Cb 0.40 -1.82 0.21 0.00 -1.84 0.00 0.00 35.03 31.99 1juj n LYS 107 CO 0.00 0.00 0.00 0.44 -1.37 0.00 0.00 177.40 176.47 1juj n ILE 108 N -2.29 0.00 0.01 -0.18 -5.35 -1.26 0.06 119.36 110.35 1juj n ILE 108 Ca 0.05 0.95 0.03 0.00 -0.27 0.00 0.00 62.75 63.51 1juj n ILE 108 Cb 0.43 -1.77 0.06 0.00 -1.74 0.00 0.00 39.64 36.61 1juj n ILE 108 CO 0.00 0.00 0.00 0.79 -1.76 0.00 0.00 176.55 175.58 1juj n TRP 109 N -2.59 0.15 0.23 4.28 7.02 -1.26 -4.63 117.44 120.63 1juj n TRP 109 Ca 0.12 -0.35 0.10 0.00 -1.02 0.00 0.00 57.50 56.35 1juj n TRP 109 Cb 1.09 -0.03 0.49 0.00 -2.42 0.00 0.00 31.31 30.45 1juj n TRP 109 CO 0.00 0.00 0.00 -0.44 -2.02 0.00 0.00 177.69 175.23 1juj h ASP 110 N 0.95 0.00 0.19 -0.99 3.45 -0.63 -3.29 116.42 116.10 1juj h ASP 110 Ca 0.00 0.00 -0.01 0.00 0.43 0.00 0.00 57.03 57.45 1juj h ASP 110 Cb 0.49 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 39.26 1juj h ASP 110 CO 0.00 0.21 -0.09 0.00 -1.57 0.00 0.00 179.24 177.79 1juj h ALA 111 N 1.79 -0.26 -0.20 3.45 0.00 -1.82 -1.97 119.26 120.25 1juj h ALA 111 Ca -0.00 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.80 1juj h ALA 111 Cb 0.70 0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.59 1juj h ALA 111 CO 0.03 -0.59 0.00 0.09 0.00 0.00 0.00 179.25 178.78 1juj n ASN 112 N -5.15 1.29 -0.00 0.00 4.13 -1.24 -3.04 115.26 111.25 1juj n ASN 112 Ca -0.09 -2.04 0.02 0.00 1.68 0.00 0.00 54.58 54.15 1juj n ASN 112 Cb 0.17 -0.20 -0.02 0.00 -1.54 0.00 0.00 39.78 38.19 1juj n ASN 112 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1juj n GLY 113 N 0.74 0.56 3.38 7.41 0.00 -1.13 -4.72 105.19 111.43 1juj n GLY 113 Ca 0.07 -0.09 -0.33 0.00 0.00 0.00 0.00 46.02 45.67 1juj n GLY 113 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1juj n SER 114 N -1.16 -2.29 -0.24 1.61 3.41 -0.75 -1.21 113.62 112.99 1juj n SER 114 Ca 0.00 0.27 -0.07 0.00 -0.26 0.00 0.00 58.87 58.81 1juj n SER 114 Cb 0.06 -1.16 0.04 0.00 -0.26 0.00 0.00 64.21 62.89 1juj n SER 114 CO 0.00 0.00 0.00 -0.09 -0.16 0.00 0.00 175.04 174.79 1juj h ARG 115 N -1.60 1.04 0.65 4.33 9.65 -1.91 -2.03 114.38 124.51 1juj h ARG 115 Ca -0.45 -0.23 -0.03 0.00 -1.10 0.00 0.00 59.98 58.17 1juj h ARG 115 Cb 1.29 -0.14 0.01 0.00 -1.39 0.00 0.00 29.97 29.73 1juj h ARG 115 CO 0.34 0.91 -0.31 -0.44 2.80 0.00 0.00 179.97 183.27 1juj h ASP 116 N 0.97 -0.74 -0.95 -3.80 5.19 -1.94 -1.93 116.42 113.21 1juj h ASP 116 Ca 0.21 -0.01 0.16 0.00 -0.62 0.00 0.00 57.03 56.78 1juj h ASP 116 Cb 0.32 0.19 -0.08 0.00 0.18 0.00 0.00 39.33 39.94 1juj h ASP 116 CO -0.00 -0.38 0.60 0.15 -3.12 0.00 0.00 179.24 176.49 1juj h PHE 117 N -1.16 0.90 -0.14 4.55 3.57 -1.84 -1.08 116.94 121.75 1juj h PHE 117 Ca -0.09 0.03 -0.18 0.00 3.53 0.00 0.00 57.97 61.26 1juj h PHE 117 Cb 0.70 -0.28 -0.00 0.00 2.79 0.00 0.00 35.95 39.16 1juj h PHE 117 CO 0.00 0.29 -0.64 -0.07 -2.23 0.00 0.00 178.31 175.66 1juj h LEU 118 N 0.73 0.59 -0.89 0.59 4.07 -1.35 -3.17 115.31 115.88 1juj h LEU 118 Ca 0.49 -0.35 -0.12 0.00 0.08 0.00 0.00 57.88 57.99 1juj h LEU 118 Cb 0.79 -0.17 -0.01 0.00 1.08 0.00 0.00 40.66 42.34 1juj h LEU 118 CO -0.26 1.08 -0.49 0.44 -1.08 0.00 0.00 178.44 178.14 1juj h ASP 119 N 0.38 0.17 0.37 -0.43 3.32 -0.40 -1.93 116.42 117.89 1juj h ASP 119 Ca -0.01 -0.08 0.00 0.00 0.02 0.00 0.00 57.03 56.96 1juj h ASP 119 Cb 1.21 -0.05 0.00 0.00 0.22 0.00 0.00 39.33 40.71 1juj h ASP 119 CO 0.12 0.63 0.00 -1.54 -1.72 0.00 0.00 179.24 176.73 1juj n SER 120 N -3.96 0.00 -0.60 6.45 3.41 -0.70 -1.40 113.62 116.83 1juj n SER 120 Ca -0.02 0.48 0.06 0.00 -0.26 0.00 0.00 58.87 59.13 1juj n SER 120 Cb 0.53 -0.49 0.13 0.00 -0.26 0.00 0.00 64.21 64.12 1juj n SER 120 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 1juj n LEU 121 N -1.49 2.73 -0.09 1.04 4.77 -1.10 -4.96 117.00 117.90 1juj n LEU 121 Ca 0.03 -1.80 -0.01 0.00 -0.03 0.00 0.00 56.01 54.20 1juj n LEU 121 Cb 0.13 -0.19 -0.00 0.00 -2.33 0.00 0.00 43.42 41.03 1juj n LEU 121 CO 0.10 0.66 -0.01 0.61 -1.33 0.00 0.00 177.39 177.42 1juj n GLY 122 N 0.54 0.43 2.14 -0.72 0.00 -0.49 -4.92 105.19 102.17 1juj n GLY 122 Ca 0.11 -0.99 -0.23 0.00 0.00 0.00 0.00 46.02 44.90 1juj n GLY 122 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1juj n PHE 123 N -3.22 2.91 0.00 1.61 0.99 -0.75 -4.72 117.46 114.28 1juj n PHE 123 Ca -0.01 -1.92 0.00 0.00 -0.00 0.00 0.00 57.45 55.51 1juj n PHE 123 Cb 0.15 -0.95 0.00 0.00 -1.00 0.00 0.00 39.48 37.69 1juj n PHE 123 CO 0.00 0.00 0.00 -1.13 -0.00 0.00 0.00 176.76 175.63 1juj n SER 124 N -1.13 0.00 -0.35 4.37 3.41 -1.26 -1.25 113.62 117.41 1juj n SER 124 Ca 0.58 0.00 0.03 0.00 -0.26 0.00 0.00 58.87 59.22 1juj n SER 124 Cb 1.54 0.00 0.09 0.00 -0.26 0.00 0.00 64.21 65.58 1juj n SER 124 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 1juj n THR 125 N -0.93 1.09 -3.70 6.66 -2.24 -1.26 -5.01 114.28 108.88 1juj n THR 125 Ca 0.00 -1.08 -0.25 0.00 -2.27 0.00 0.00 64.05 60.44 1juj n THR 125 Cb 0.00 0.44 -0.03 0.00 -2.10 0.00 0.00 70.33 68.65 1juj n THR 125 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 1juj s ARG 126 N -1.15 3.49 0.01 -0.78 0.52 -0.38 -5.09 118.95 115.57 1juj s ARG 126 Ca 0.14 -0.44 -0.15 0.00 -0.52 0.00 0.00 55.73 54.76 1juj s ARG 126 Cb 0.08 -2.82 -0.06 0.00 0.52 0.00 0.00 34.95 32.67 1juj s ARG 126 CO 0.08 0.37 0.43 -1.21 0.02 0.00 0.00 175.30 174.99 1juj s GLU 127 N -3.64 3.96 0.34 3.54 2.02 -1.26 -5.01 118.70 118.65 1juj s GLU 127 Ca 0.38 0.45 -0.22 0.00 0.02 0.00 0.00 54.97 55.60 1juj s GLU 127 Cb -0.10 -3.23 -0.16 0.00 0.10 0.00 0.00 34.13 30.74 1juj s GLU 127 CO 0.30 0.68 0.19 0.39 0.02 0.00 0.00 175.26 176.84 1juj n GLU 128 N 1.84 0.00 -0.77 1.61 1.02 -1.26 -2.61 120.64 120.46 1juj n GLU 128 Ca -0.13 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.01 1juj n GLU 128 Cb 0.52 -0.97 0.00 0.00 -0.02 0.00 0.00 31.44 30.97 1juj n GLU 128 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1juj n GLY 129 N 2.19 0.85 3.40 0.62 0.00 -0.35 -4.87 105.19 107.03 1juj n GLY 129 Ca 0.13 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.70 1juj n GLY 129 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1juj s ASP 130 N -2.86 6.84 0.62 1.61 3.68 -1.07 0.31 116.67 125.79 1juj s ASP 130 Ca 0.00 -2.60 0.35 0.00 2.13 0.00 0.00 52.55 52.43 1juj s ASP 130 Cb 0.00 -2.32 2.03 0.00 -1.45 0.00 0.00 42.92 41.18 1juj s ASP 130 CO 0.00 -0.76 2.29 -0.07 0.13 0.00 0.00 175.17 176.76 1juj h LEU 131 N 9.02 0.00 0.00 -1.34 3.38 -1.83 -3.46 115.31 121.07 1juj h LEU 131 Ca 0.17 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.14 1juj h LEU 131 Cb 0.98 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.73 1juj h LEU 131 CO 1.01 0.00 0.00 0.61 0.09 0.00 0.00 178.44 180.15 1juj n GLY 132 N -1.24 -0.26 3.32 0.83 0.00 -1.26 -1.90 105.19 104.68 1juj n GLY 132 Ca -0.03 -1.88 -0.30 0.00 0.00 0.00 0.00 46.02 43.81 1juj n GLY 132 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1juj n PRO 133 N -0.38 0.00 -3.94 1.61 -0.04 -1.26 -4.82 135.00 126.16 1juj n PRO 133 Ca 0.00 -0.70 -0.27 0.00 -0.04 0.00 0.00 63.50 62.48 1juj n PRO 133 Cb 0.00 -2.08 -0.00 0.00 -0.04 0.00 0.00 33.50 31.38 1juj n PRO 133 CO 0.00 0.00 0.00 0.14 -0.04 0.00 0.00 175.50 175.60 1juj s VAL 134 N 5.76 1.51 0.00 0.52 -7.23 -1.26 -4.73 120.40 114.96 1juj s VAL 134 Ca 0.46 -1.52 0.00 0.00 -1.81 0.00 0.00 61.98 59.11 1juj s VAL 134 Cb 0.10 -2.02 0.00 0.00 0.56 0.00 0.00 36.38 35.02 1juj s VAL 134 CO 0.23 0.00 0.00 -1.22 -0.31 0.00 0.00 175.10 173.80 1juj n TYR 135 N -1.79 0.00 -0.30 2.82 4.01 -1.26 -0.48 117.16 120.15 1juj n TYR 135 Ca -0.03 0.00 -0.00 0.00 -0.16 0.00 0.00 57.90 57.71 1juj n TYR 135 Cb 0.65 0.00 0.06 0.00 -0.31 0.00 0.00 39.34 39.73 1juj n TYR 135 CO 0.00 0.00 0.00 0.78 -0.46 0.00 0.00 176.86 177.18 1juj h GLY 136 N 0.00 0.24 1.54 2.72 0.00 -1.78 0.03 103.07 105.82 1juj h GLY 136 Ca 0.00 0.41 -0.01 0.00 0.00 0.00 0.00 47.33 47.72 1juj h GLY 136 CO 0.00 -0.25 0.21 -2.75 0.00 0.00 0.00 176.54 173.75 1juj h PHE 137 N -0.05 0.59 -0.05 5.60 3.04 -0.90 -2.43 116.94 122.76 1juj h PHE 137 Ca 0.34 -0.01 -0.09 0.00 3.98 0.00 0.00 57.97 62.20 1juj h PHE 137 Cb 0.60 -0.19 0.00 0.00 2.56 0.00 0.00 35.95 38.92 1juj h PHE 137 CO -0.73 0.44 -0.30 1.96 -2.02 0.00 0.00 178.31 177.66 1juj h GLN 138 N 0.61 0.29 -0.86 1.11 1.08 -0.87 0.90 115.11 117.37 1juj h GLN 138 Ca 0.15 -0.25 0.11 0.00 -1.45 0.00 0.00 58.65 57.21 1juj h GLN 138 Cb 0.06 0.05 -0.08 0.00 -0.05 0.00 0.00 27.48 27.47 1juj h GLN 138 CO -0.02 0.90 0.50 -1.49 -0.95 0.00 0.00 178.83 177.77 1juj h TRP 139 N -0.24 0.90 0.00 2.96 4.06 -0.87 -2.93 115.95 119.82 1juj h TRP 139 Ca -0.02 0.03 -0.26 0.00 2.06 0.00 0.00 58.89 60.70 1juj h TRP 139 Cb 0.97 -0.27 -0.05 0.00 -1.00 0.00 0.00 29.16 28.81 1juj h TRP 139 CO 0.14 0.34 -2.09 0.54 -3.56 0.00 0.00 178.44 173.81 1juj n ARG 140 N -4.74 1.19 -2.61 0.49 5.12 -0.93 -0.47 116.66 114.71 1juj n ARG 140 Ca 0.15 -0.03 -0.17 0.00 -1.93 0.00 0.00 57.85 55.87 1juj n ARG 140 Cb 0.31 -1.42 0.01 0.00 -1.16 0.00 0.00 32.46 30.20 1juj n ARG 140 CO 0.00 0.00 0.00 0.72 -1.93 0.00 0.00 177.63 176.42 1juj n HIS 141 N -2.54 2.14 -0.06 -1.55 8.25 0.31 -2.60 115.22 119.17 1juj n HIS 141 Ca -0.24 -2.99 -0.05 0.00 -0.26 0.00 0.00 57.72 54.18 1juj n HIS 141 Cb 0.96 -0.26 -0.04 0.00 1.12 0.00 0.00 29.99 31.77 1juj n HIS 141 CO 0.00 0.00 0.00 0.35 0.64 0.00 0.00 176.34 177.33 1juj h PHE 142 N 2.82 -0.66 -0.51 4.41 3.04 -1.29 -2.48 116.94 122.27 1juj h PHE 142 Ca 0.08 0.03 0.10 0.00 3.98 0.00 0.00 57.97 62.16 1juj h PHE 142 Cb 1.05 0.31 -0.10 0.00 2.56 0.00 0.00 35.95 39.76 1juj h PHE 142 CO 0.64 -0.19 -0.18 0.78 -2.02 0.00 0.00 178.31 177.34 1juj h GLY 143 N -0.15 0.24 -0.29 2.40 0.00 -1.86 -3.45 103.07 99.96 1juj h GLY 143 Ca 0.03 0.24 -0.04 0.00 0.00 0.00 0.00 47.33 47.56 1juj h GLY 143 CO -0.23 -0.21 -0.04 0.00 0.00 0.00 0.00 176.54 176.05 1juj n ALA 144 N -2.96 -1.24 -2.71 3.60 0.00 -0.93 -4.89 120.51 111.37 1juj n ALA 144 Ca 0.05 0.02 -0.44 0.00 0.00 0.00 0.00 53.44 53.07 1juj n ALA 144 Cb 0.30 -0.10 -0.07 0.00 0.00 0.00 0.00 19.45 19.59 1juj n ALA 144 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.50 175.50 1juj s GLU 145 N -0.06 3.09 0.87 0.00 2.12 -1.26 -5.01 118.70 118.45 1juj s GLU 145 Ca 0.04 -0.94 -0.10 0.00 0.36 0.00 0.00 54.97 54.32 1juj s GLU 145 Cb -0.05 -4.07 0.12 0.00 0.26 0.00 0.00 34.13 30.38 1juj s GLU 145 CO 0.04 -1.09 1.11 -0.47 -0.54 0.00 0.00 175.26 174.31 1juj s TYR 146 N 2.31 2.04 0.00 5.30 5.04 -1.26 -5.03 117.35 125.76 1juj s TYR 146 Ca 0.12 1.63 0.00 0.00 -2.44 0.00 0.00 57.07 56.38 1juj s TYR 146 Cb -0.20 -3.20 0.00 0.00 0.35 0.00 0.00 41.96 38.92 1juj s TYR 146 CO 0.11 -2.43 0.00 0.54 -1.34 0.00 0.00 175.55 172.44 1juj n ARG 147 N -3.96 0.00 0.00 4.97 1.74 -1.26 -5.13 116.66 113.02 1juj n ARG 147 Ca 0.10 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.18 1juj n ARG 147 Cb 0.53 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 31.97 1juj n ARG 147 CO 0.00 0.00 0.00 -3.47 -1.52 0.00 0.00 177.63 172.64 1juj n ASP 148 N 0.00 -1.43 0.00 0.55 2.03 -1.26 -4.58 116.55 111.86 1juj n ASP 148 Ca 0.00 0.00 0.09 0.00 0.52 0.00 0.00 54.79 55.40 1juj n ASP 148 Cb 0.00 0.95 0.56 0.00 -0.72 0.00 0.00 41.12 41.91 1juj n ASP 148 CO 0.00 0.00 0.00 1.15 -1.92 0.00 0.00 177.20 176.43 1juj n MET 149 N -0.58 0.59 -0.59 -0.67 0.00 -1.26 -3.38 117.12 111.23 1juj n MET 149 Ca 0.00 0.00 0.06 0.00 0.00 0.00 0.00 57.70 57.76 1juj n MET 149 Cb 0.00 -1.50 0.11 0.00 0.00 0.00 0.00 33.22 31.83 1juj n MET 149 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 175.97 176.36 1juj n GLU 150 N -1.00 0.87 -2.94 3.17 1.02 -1.26 -4.67 120.64 115.82 1juj n GLU 150 Ca 0.14 -2.37 -0.26 0.00 -0.02 0.00 0.00 57.16 54.65 1juj n GLU 150 Cb 0.06 -1.05 -0.01 0.00 -0.02 0.00 0.00 31.44 30.43 1juj n GLU 150 CO 0.00 0.00 0.00 -1.12 1.18 0.00 0.00 177.13 177.19 1juj s SER 151 N -2.44 6.30 -0.38 1.62 0.01 -1.22 -5.04 113.70 112.55 1juj s SER 151 Ca 0.28 0.77 -0.23 0.00 1.31 0.00 0.00 55.95 58.08 1juj s SER 151 Cb 0.27 -2.17 0.01 0.00 0.21 0.00 0.00 66.02 64.34 1juj s SER 151 CO -0.04 -0.45 0.76 -0.62 0.41 0.00 0.00 173.24 173.30 1juj s ASP 152 N -3.97 6.50 -0.07 2.44 -1.08 -1.26 -4.91 116.67 114.32 1juj s ASP 152 Ca 0.45 0.21 0.15 0.00 -0.52 0.00 0.00 52.55 52.83 1juj s ASP 152 Cb -0.10 -2.38 0.48 0.00 -1.46 0.00 0.00 42.92 39.46 1juj s ASP 152 CO 0.40 -0.76 1.40 -1.22 0.52 0.00 0.00 175.17 175.52 1juj n TYR 153 N 6.43 0.85 -2.03 -5.34 4.01 -1.26 -5.00 117.16 114.83 1juj n TYR 153 Ca 0.02 -0.62 -0.38 0.00 -0.16 0.00 0.00 57.90 56.76 1juj n TYR 153 Cb 0.48 -0.14 0.01 0.00 -0.31 0.00 0.00 39.34 39.38 1juj n TYR 153 CO 0.00 0.00 0.00 -1.54 -0.46 0.00 0.00 176.86 174.86 1juj s SER 154 N -1.20 5.87 0.00 7.72 1.04 -1.26 -3.04 113.70 122.82 1juj s SER 154 Ca 0.36 2.57 0.00 0.00 0.48 0.00 0.00 55.95 59.36 1juj s SER 154 Cb 0.23 -2.62 0.00 0.00 0.10 0.00 0.00 66.02 63.73 1juj s SER 154 CO 0.17 -1.14 0.00 0.61 0.98 0.00 0.00 173.24 173.86 1juj n GLY 155 N 0.60 2.30 3.94 7.32 0.00 -1.26 -4.96 105.19 113.13 1juj n GLY 155 Ca 0.07 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.83 1juj n GLY 155 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1juj s GLN 156 N 0.00 3.43 0.00 1.61 -2.07 -1.17 -4.98 119.66 116.48 1juj s GLN 156 Ca 0.00 -0.60 0.00 0.00 -1.82 0.00 0.00 55.36 52.94 1juj s GLN 156 Cb 0.00 -2.96 0.00 0.00 -1.09 0.00 0.00 33.01 28.96 1juj s GLN 156 CO 0.00 0.52 0.00 0.41 -1.32 0.00 0.00 175.29 174.90 1juj n GLY 157 N -0.54 -0.28 3.18 2.60 0.00 -1.26 -4.70 105.19 104.20 1juj n GLY 157 Ca -0.07 -1.84 -0.33 0.00 0.00 0.00 0.00 46.02 43.78 1juj n GLY 157 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1juj s VAL 158 N -1.26 2.20 -0.81 1.61 0.11 -1.26 -4.76 120.40 116.24 1juj s VAL 158 Ca 0.00 -0.92 -0.24 0.00 -2.93 0.00 0.00 61.98 57.89 1juj s VAL 158 Cb 0.00 -1.90 0.06 0.00 -1.53 0.00 0.00 36.38 33.01 1juj s VAL 158 CO 0.00 0.54 1.21 -0.62 -3.33 0.00 0.00 175.10 172.90 1juj s ASP 159 N 0.94 6.30 0.08 3.54 3.68 -1.07 -2.54 116.67 127.60 1juj s ASP 159 Ca -0.04 -1.03 -0.18 0.00 2.13 0.00 0.00 52.55 53.44 1juj s ASP 159 Cb -0.15 -2.50 -0.09 0.00 -1.45 0.00 0.00 42.92 38.73 1juj s ASP 159 CO -0.04 -1.56 1.47 1.56 0.13 0.00 0.00 175.17 176.73 1juj h GLN 160 N 9.70 0.48 -0.63 4.34 4.20 -1.03 -2.13 115.11 130.03 1juj h GLN 160 Ca -0.12 -0.18 0.13 0.00 0.06 0.00 0.00 58.65 58.54 1juj h GLN 160 Cb 1.04 -0.03 -0.10 0.00 0.30 0.00 0.00 27.48 28.70 1juj h GLN 160 CO 1.27 0.70 0.07 1.25 -0.67 0.00 0.00 178.83 181.45 1juj h LEU 161 N 0.22 -0.14 -0.05 1.46 5.85 -1.86 0.14 115.31 120.93 1juj h LEU 161 Ca 0.06 0.14 -0.08 0.00 0.84 0.00 0.00 57.88 58.85 1juj h LEU 161 Cb 0.52 0.22 0.00 0.00 0.37 0.00 0.00 40.66 41.78 1juj h LEU 161 CO 0.02 -0.07 -0.27 -0.61 -0.34 0.00 0.00 178.44 177.18 1juj h GLN 162 N 0.18 0.26 -0.90 1.25 -0.00 -1.86 -3.01 115.11 111.04 1juj h GLN 162 Ca 0.34 -0.22 0.22 0.00 -0.00 0.00 0.00 58.65 58.99 1juj h GLN 162 Cb 0.55 0.05 -0.13 0.00 0.00 0.00 0.00 27.48 27.95 1juj h GLN 162 CO -0.49 0.88 0.39 -0.09 0.00 0.00 0.00 178.83 179.51 1juj h ARG 163 N -0.28 0.37 -0.45 1.69 9.65 -0.73 0.75 114.38 125.38 1juj h ARG 163 Ca -0.02 -0.02 -0.01 0.00 -1.10 0.00 0.00 59.98 58.83 1juj h ARG 163 Cb 0.93 -0.08 -0.02 0.00 -1.39 0.00 0.00 29.97 29.41 1juj h ARG 163 CO 0.05 0.25 0.26 0.28 2.80 0.00 0.00 179.97 183.61 1juj h VAL 164 N 0.38 1.15 -0.10 0.20 2.07 -0.98 -2.68 116.25 116.30 1juj h VAL 164 Ca 0.56 -0.37 -0.00 0.00 0.82 0.00 0.00 66.70 67.71 1juj h VAL 164 Cb 1.08 0.58 -0.00 0.00 -1.52 0.00 0.00 31.29 31.42 1juj h VAL 164 CO -0.54 0.16 0.05 0.40 0.02 0.00 0.00 177.57 177.66 1juj h ILE 165 N 0.60 1.09 -0.09 4.57 2.04 -0.74 -2.48 117.51 122.49 1juj h ILE 165 Ca 0.16 -0.25 -0.03 0.00 1.00 0.00 0.00 64.86 65.74 1juj h ILE 165 Cb 0.02 1.08 -0.01 0.00 -0.74 0.00 0.00 36.82 37.17 1juj h ILE 165 CO -0.03 0.08 -0.09 0.44 0.00 0.00 0.00 178.15 178.55 1juj h ASP 166 N 0.06 0.13 -0.13 1.72 5.19 -1.34 -2.25 116.42 119.80 1juj h ASP 166 Ca 0.03 -0.02 -0.06 0.00 -0.62 0.00 0.00 57.03 56.36 1juj h ASP 166 Cb 0.08 -0.03 -0.00 0.00 0.18 0.00 0.00 39.33 39.55 1juj h ASP 166 CO -0.01 0.24 -0.16 0.74 -3.12 0.00 0.00 179.24 176.93 1juj h THR 167 N 0.14 1.36 -1.00 0.35 2.02 -1.26 -0.34 112.91 114.18 1juj h THR 167 Ca 0.03 -1.37 0.13 0.00 0.77 0.00 0.00 66.41 65.97 1juj h THR 167 Cb 0.25 1.96 -0.09 0.00 -1.74 0.00 0.00 68.15 68.54 1juj h THR 167 CO 0.01 0.40 0.63 0.40 0.37 0.00 0.00 175.52 177.33 1juj h ILE 168 N -0.06 0.89 0.11 3.11 2.04 -1.10 0.65 117.51 123.15 1juj h ILE 168 Ca 0.02 -0.33 -0.01 0.00 1.00 0.00 0.00 64.86 65.54 1juj h ILE 168 Cb 0.71 -0.15 0.00 0.00 -0.74 0.00 0.00 36.82 36.64 1juj h ILE 168 CO 0.04 0.17 -0.05 0.11 0.00 0.00 0.00 178.15 178.42 1juj h LYS 169 N 0.96 -0.14 0.05 2.37 1.57 -1.25 -3.34 116.57 116.78 1juj h LYS 169 Ca 0.51 0.01 -0.17 0.00 -1.87 0.00 0.00 60.65 59.13 1juj h LYS 169 Cb 0.55 0.03 -0.01 0.00 0.08 0.00 0.00 32.23 32.88 1juj h LYS 169 CO -0.28 0.26 -0.87 1.79 -0.57 0.00 0.00 179.45 179.79 1juj h THR 170 N -0.60 1.28 -2.82 -0.16 1.35 -0.59 -3.44 112.91 107.94 1juj h THR 170 Ca -0.02 -2.33 -0.60 0.00 -0.55 0.00 0.00 66.41 62.91 1juj h THR 170 Cb 0.47 2.83 -0.40 0.00 -1.73 0.00 0.00 68.15 69.32 1juj h THR 170 CO 0.03 0.56 -0.78 0.21 -0.25 0.00 0.00 175.52 175.29 1juj s ASN 171 N -6.72 3.25 0.46 5.36 2.47 0.22 -4.99 114.94 115.00 1juj s ASN 171 Ca -0.22 -2.88 0.12 0.00 0.42 0.00 0.00 52.86 50.30 1juj s ASN 171 Cb 0.02 -0.92 1.05 0.00 -1.45 0.00 0.00 41.25 39.95 1juj s ASN 171 CO 0.70 -0.22 2.09 -0.65 -3.72 0.00 0.00 177.10 175.29 1juj h PRO 172 N 6.29 0.30 0.00 0.43 0.11 -1.67 -3.06 132.00 134.40 1juj h PRO 172 Ca 0.09 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 66.18 1juj h PRO 172 Cb 0.90 -0.07 0.00 0.00 0.11 0.00 0.00 31.00 31.94 1juj h PRO 172 CO 0.47 0.20 0.00 -0.25 -0.21 0.00 0.00 178.00 178.21 1juj n ASP 173 N -4.50 0.50 -4.52 -2.05 8.00 -1.26 -4.21 116.55 108.51 1juj n ASP 173 Ca 0.01 0.56 -0.49 0.00 0.71 0.00 0.00 54.79 55.58 1juj n ASP 173 Cb 0.11 -0.69 -0.04 0.00 -0.02 0.00 0.00 41.12 40.48 1juj n ASP 173 CO 0.00 0.00 0.00 -0.67 -0.39 0.00 0.00 177.20 176.14 1juj n ASP 174 N -1.98 0.44 -1.62 -2.24 -0.08 -1.16 -4.88 116.55 105.03 1juj n ASP 174 Ca 0.06 1.15 -0.10 0.00 -1.51 0.00 0.00 54.79 54.39 1juj n ASP 174 Cb 0.37 -1.12 0.22 0.00 2.34 0.00 0.00 41.12 42.92 1juj n ASP 174 CO 0.00 0.00 0.00 0.54 0.12 0.00 0.00 177.20 177.86 1juj n ARG 175 N 1.30 2.38 -0.39 -0.67 1.74 -1.26 -4.39 116.66 115.37 1juj n ARG 175 Ca 0.15 -3.08 0.05 0.00 -0.77 0.00 0.00 57.85 54.20 1juj n ARG 175 Cb 0.24 -2.00 0.08 0.00 -1.02 0.00 0.00 32.46 29.76 1juj n ARG 175 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 1juj n ARG 176 N -0.92 0.70 -2.15 5.56 3.00 -1.26 -4.96 116.66 116.64 1juj n ARG 176 Ca 0.42 -1.96 -0.40 0.00 -0.01 0.00 0.00 57.85 55.90 1juj n ARG 176 Cb 1.29 -1.00 -0.02 0.00 0.00 0.00 0.00 32.46 32.74 1juj n ARG 176 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.63 176.74 1juj n ILE 177 N -0.69 3.24 -4.85 0.55 5.41 -1.26 -4.90 119.36 116.85 1juj n ILE 177 Ca 0.09 -3.21 -0.31 0.00 1.00 0.00 0.00 62.75 60.32 1juj n ILE 177 Cb 0.71 -2.37 -0.14 0.00 -0.71 0.00 0.00 39.64 37.13 1juj n ILE 177 CO 0.00 0.00 0.00 -0.63 0.00 0.00 0.00 176.55 175.92 1juj s ILE 178 N 5.37 2.62 -0.16 1.39 1.01 -1.26 -1.91 121.20 128.26 1juj s ILE 178 Ca 0.55 -1.12 0.00 0.00 0.00 0.00 0.00 60.65 60.09 1juj s ILE 178 Cb 0.06 -2.05 0.03 0.00 0.01 0.00 0.00 42.46 40.52 1juj s ILE 178 CO 0.06 0.43 -0.13 -0.32 0.00 0.00 0.00 174.94 174.98 1juj s MET 179 N -1.13 2.20 -0.13 2.79 1.75 -0.68 -4.92 119.30 119.18 1juj s MET 179 Ca 0.13 -0.64 0.02 0.00 -1.25 0.00 0.00 55.69 53.95 1juj s MET 179 Cb -0.10 -2.19 0.00 0.00 2.84 0.00 0.00 34.83 35.38 1juj s MET 179 CO 0.03 -0.30 -0.21 0.00 -0.65 0.00 0.00 175.02 173.90 1juj n ALA 181 N 3.83 1.86 -2.07 0.00 0.00 -0.22 -4.76 120.51 119.15 1juj n ALA 181 Ca -0.19 -0.77 -0.43 0.00 0.00 0.00 0.00 53.44 52.05 1juj n ALA 181 Cb 0.52 -0.73 -0.03 0.00 0.00 0.00 0.00 19.45 19.22 1juj n ALA 181 CO 0.00 0.00 0.00 -0.46 0.00 0.00 0.00 177.50 177.04 1juj s TRP 182 N -2.83 1.93 -0.51 0.00 -0.11 -1.19 -4.92 118.94 111.31 1juj s TRP 182 Ca -0.05 0.62 0.03 0.00 1.22 0.00 0.00 56.10 57.91 1juj s TRP 182 Cb 0.09 -4.15 0.14 0.00 -1.50 0.00 0.00 33.47 28.05 1juj s TRP 182 CO 0.83 -2.81 0.29 1.21 -4.62 0.00 0.00 176.95 171.86 1juj s ASN 183 N 5.53 3.89 0.21 5.86 3.84 -1.26 -5.01 114.94 128.00 1juj s ASN 183 Ca 0.76 -2.98 -0.01 0.00 0.21 0.00 0.00 52.86 50.84 1juj s ASN 183 Cb -0.21 -1.28 0.45 0.00 -0.55 0.00 0.00 41.25 39.67 1juj s ASN 183 CO 0.33 -0.22 1.11 -2.65 -2.79 0.00 0.00 177.10 172.88 1juj n PRO 184 N 3.10 -0.06 -0.34 0.43 -0.02 -1.26 -0.60 135.00 136.24 1juj n PRO 184 Ca 0.11 1.08 0.09 0.00 -2.02 0.00 0.00 63.50 62.75 1juj n PRO 184 Cb 0.35 -1.67 0.26 0.00 -0.02 0.00 0.00 33.50 32.41 1juj n PRO 184 CO 0.00 0.00 0.00 -0.09 1.98 0.00 0.00 175.50 177.39 1juj h ARG 185 N 0.00 0.82 0.00 -0.52 2.43 -2.02 -3.01 114.38 112.08 1juj h ARG 185 Ca 0.39 -0.05 0.00 0.00 -0.81 0.00 0.00 59.98 59.51 1juj h ARG 185 Cb 0.74 -0.18 0.00 0.00 -0.42 0.00 0.00 29.97 30.10 1juj h ARG 185 CO -0.69 0.54 -0.70 -0.25 -1.51 0.00 0.00 179.97 177.36 1juj n ASP 186 N -4.72 0.62 -0.28 -3.80 8.00 0.23 -4.57 116.55 112.02 1juj n ASP 186 Ca 0.20 -0.08 0.08 0.00 0.71 0.00 0.00 54.79 55.70 1juj n ASP 186 Cb 0.43 0.36 0.17 0.00 -0.02 0.00 0.00 41.12 42.05 1juj n ASP 186 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 1juj n LEU 187 N -1.90 -0.20 0.14 0.64 7.99 -1.14 -0.04 117.00 122.49 1juj n LEU 187 Ca 0.04 1.37 0.10 0.00 -0.01 0.00 0.00 56.01 57.51 1juj n LEU 187 Cb 0.41 -0.45 0.51 0.00 -0.11 0.00 0.00 43.42 43.77 1juj n LEU 187 CO 0.37 -1.34 0.81 -0.81 -1.51 0.00 0.00 177.39 174.90 1juj n PRO 188 N -5.23 0.14 0.01 3.23 -0.04 -1.26 -2.16 135.00 129.69 1juj n PRO 188 Ca 0.15 0.55 0.11 0.00 -0.04 0.00 0.00 63.50 64.28 1juj n PRO 188 Cb 0.49 -1.88 -0.12 0.00 -0.04 0.00 0.00 33.50 31.95 1juj n PRO 188 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 1juj n LEU 189 N -2.17 0.31 -4.73 1.53 4.77 0.94 -4.93 117.00 112.72 1juj n LEU 189 Ca -0.00 -0.05 -0.41 0.00 -0.03 0.00 0.00 56.01 55.52 1juj n LEU 189 Cb 0.09 -0.02 -0.04 0.00 -2.33 0.00 0.00 43.42 41.13 1juj n LEU 189 CO 0.12 0.03 0.84 -0.04 -1.33 0.00 0.00 177.39 177.00 1juj s MET 190 N -3.39 4.53 0.21 3.23 -1.94 -0.92 -4.55 119.30 116.47 1juj s MET 190 Ca -0.03 1.77 0.25 0.00 -1.71 0.00 0.00 55.69 55.97 1juj s MET 190 Cb 0.14 -3.28 0.88 0.00 2.01 0.00 0.00 34.83 34.58 1juj s MET 190 CO 0.88 -0.05 1.76 0.00 -0.01 0.00 0.00 175.02 177.60 1juj n ALA 191 N 2.77 2.09 -3.13 3.03 0.00 -0.80 -4.62 120.51 119.85 1juj n ALA 191 Ca 0.05 0.00 0.05 0.00 0.00 0.00 0.00 53.44 53.54 1juj n ALA 191 Cb 0.46 -1.44 0.00 0.00 0.00 0.00 0.00 19.45 18.47 1juj n ALA 191 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 1juj s LEU 192 N -4.42 -0.43 0.84 0.00 1.98 -1.26 -5.05 118.68 110.34 1juj s LEU 192 Ca 0.09 0.04 -0.16 0.00 -2.89 0.00 0.00 54.13 51.20 1juj s LEU 192 Cb 0.12 1.24 -0.10 0.00 0.66 0.00 0.00 46.19 48.10 1juj s LEU 192 CO 0.53 -0.08 -0.25 -2.65 -1.89 0.00 0.00 176.35 172.02 1juj n PRO 193 N 5.05 0.01 -1.77 0.98 -0.02 -1.26 -4.85 135.00 133.14 1juj n PRO 193 Ca 0.09 0.02 -0.42 0.00 -2.02 0.00 0.00 63.50 61.17 1juj n PRO 193 Cb 0.58 -1.27 -0.03 0.00 -0.02 0.00 0.00 33.50 32.76 1juj n PRO 193 CO 0.00 0.00 0.00 -2.14 1.98 0.00 0.00 175.50 175.34 1juj s PRO 194 N -2.16 3.92 0.06 0.52 0.02 -1.26 -4.87 135.00 131.23 1juj s PRO 194 Ca 0.51 2.33 -0.13 0.00 0.02 0.00 0.00 61.00 63.72 1juj s PRO 194 Cb -0.28 -4.16 -0.28 0.00 0.02 0.00 0.00 34.50 29.80 1juj s PRO 194 CO 0.73 -1.19 1.11 0.00 -0.33 0.00 0.00 177.00 177.32 1juj s HIS 196 N -2.93 3.12 -0.12 0.00 0.00 -1.26 -1.86 115.29 112.23 1juj s HIS 196 Ca -0.09 -0.82 0.18 0.00 -3.00 0.00 0.00 55.06 51.33 1juj s HIS 196 Cb 0.06 -3.56 -0.20 0.00 -4.00 0.00 0.00 32.58 24.88 1juj s HIS 196 CO 0.93 -1.02 0.56 0.00 -1.00 0.00 0.00 174.74 174.21 1juj n ALA 197 N 5.82 1.95 -3.62 -1.38 0.00 -1.01 -4.78 120.51 117.50 1juj n ALA 197 Ca -0.10 -0.76 -0.13 0.00 0.00 0.00 0.00 53.44 52.45 1juj n ALA 197 Cb 0.44 -0.71 -0.07 0.00 0.00 0.00 0.00 19.45 19.10 1juj n ALA 197 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 1juj s LEU 198 N -5.49 -0.68 0.04 0.00 0.20 -1.21 -1.06 118.68 110.48 1juj s LEU 198 Ca -0.06 1.26 0.01 0.00 0.69 0.00 0.00 54.13 56.03 1juj s LEU 198 Cb 0.09 2.36 -0.03 0.00 -0.43 0.00 0.00 46.19 48.19 1juj s LEU 198 CO 0.83 -0.27 -0.05 0.00 -0.29 0.00 0.00 176.35 176.58 1juj s GLN 200 N -2.11 0.22 0.07 0.00 0.74 -0.38 -1.68 119.66 116.53 1juj s GLN 200 Ca -0.08 -0.17 0.04 0.00 0.05 0.00 0.00 55.36 55.20 1juj s GLN 200 Cb -0.06 -0.17 -0.04 0.00 1.10 0.00 0.00 33.01 33.84 1juj s GLN 200 CO -0.02 0.04 0.02 -0.06 -0.55 0.00 0.00 175.29 174.72 1juj s PHE 201 N -0.25 3.04 -0.05 1.67 0.40 -0.80 -0.89 117.98 121.11 1juj s PHE 201 Ca -0.01 0.01 -0.03 0.00 -0.60 0.00 0.00 56.93 56.30 1juj s PHE 201 Cb -0.02 -1.57 0.02 0.00 0.51 0.00 0.00 43.02 41.96 1juj s PHE 201 CO -0.00 0.49 0.11 -0.47 0.70 0.00 0.00 175.22 176.04 1juj s TYR 202 N -1.29 -0.11 -0.07 0.36 6.14 -0.78 -4.55 117.35 117.04 1juj s TYR 202 Ca 0.26 0.33 0.04 0.00 0.64 0.00 0.00 57.07 58.33 1juj s TYR 202 Cb -0.12 -0.03 0.00 0.00 0.42 0.00 0.00 41.96 42.23 1juj s TYR 202 CO 0.18 -0.10 -0.19 0.14 0.64 0.00 0.00 175.55 176.22 1juj s VAL 203 N 0.55 1.64 -0.07 3.14 -7.23 -1.26 -0.78 120.40 116.38 1juj s VAL 203 Ca -0.04 -0.80 -0.05 0.00 -1.81 0.00 0.00 61.98 59.28 1juj s VAL 203 Cb -0.06 -1.43 0.03 0.00 0.56 0.00 0.00 36.38 35.48 1juj s VAL 203 CO -0.02 0.47 0.18 0.54 -0.31 0.00 0.00 175.10 175.95 1juj s VAL 204 N 0.30 -0.03 -0.41 1.32 0.11 -0.80 -4.76 120.40 116.13 1juj s VAL 204 Ca -0.12 0.10 -0.37 0.00 -2.93 0.00 0.00 61.98 58.66 1juj s VAL 204 Cb -0.15 -0.28 0.05 0.00 -1.53 0.00 0.00 36.38 34.47 1juj s VAL 204 CO 0.05 0.04 0.61 0.59 -3.33 0.00 0.00 175.10 173.06 1juj n ASN 205 N 3.69 -5.03 0.00 3.54 3.02 -1.26 -1.71 115.26 117.51 1juj n ASN 205 Ca -0.20 -0.15 0.00 0.00 -0.03 0.00 0.00 54.58 54.20 1juj n ASN 205 Cb 0.55 -1.46 0.00 0.00 -0.61 0.00 0.00 39.78 38.26 1juj n ASN 205 CO 0.00 0.00 0.00 -1.54 -2.62 0.00 0.00 177.26 173.10 1juj n SER 206 N -0.07 0.00 -4.70 6.41 3.41 -1.26 -4.91 113.62 112.49 1juj n SER 206 Ca -0.08 0.00 -0.35 0.00 -0.26 0.00 0.00 58.87 58.18 1juj n SER 206 Cb 0.63 -0.81 -0.09 0.00 -0.26 0.00 0.00 64.21 63.68 1juj n SER 206 CO 0.00 0.00 0.00 -1.83 -0.16 0.00 0.00 175.04 173.05 1juj s GLU 207 N 0.00 3.00 -0.22 4.33 -1.05 -0.70 -1.18 118.70 122.88 1juj s GLU 207 Ca 0.00 -0.40 -0.09 0.00 -0.15 0.00 0.00 54.97 54.33 1juj s GLU 207 Cb 0.00 -2.82 -0.04 0.00 -0.44 0.00 0.00 34.13 30.83 1juj s GLU 207 CO 0.00 0.70 0.10 -1.17 0.95 0.00 0.00 175.26 175.85 1juj s LEU 208 N -0.95 3.83 0.30 1.83 2.96 -0.56 -1.91 118.68 124.19 1juj s LEU 208 Ca 0.14 0.02 0.10 0.00 -0.22 0.00 0.00 54.13 54.17 1juj s LEU 208 Cb -0.11 -2.01 -0.05 0.00 0.50 0.00 0.00 46.19 44.52 1juj s LEU 208 CO 0.03 0.08 -0.06 -0.44 -1.32 0.00 0.00 176.35 174.64 1juj s SER 209 N 0.97 4.08 -0.09 3.68 0.01 0.04 0.01 113.70 122.40 1juj s SER 209 Ca 0.05 -0.92 -0.06 0.00 1.31 0.00 0.00 55.95 56.33 1juj s SER 209 Cb -0.14 -0.54 0.04 0.00 0.21 0.00 0.00 66.02 65.59 1juj s SER 209 CO 0.03 -0.09 0.23 0.00 0.41 0.00 0.00 173.24 173.82 1juj s GLN 211 N 0.88 2.39 -0.02 0.00 0.74 -0.07 -0.58 119.66 123.00 1juj s GLN 211 Ca -0.06 -0.78 0.07 0.00 0.05 0.00 0.00 55.36 54.64 1juj s GLN 211 Cb -0.08 -2.35 -0.02 0.00 1.10 0.00 0.00 33.01 31.67 1juj s GLN 211 CO -0.05 0.60 -0.23 -1.17 -0.55 0.00 0.00 175.29 173.88 1juj s LEU 212 N -1.06 2.04 -0.31 3.68 2.96 0.52 -1.25 118.68 125.27 1juj s LEU 212 Ca 0.13 -0.42 -0.04 0.00 -0.22 0.00 0.00 54.13 53.59 1juj s LEU 212 Cb -0.11 -1.19 0.04 0.00 0.50 0.00 0.00 46.19 45.43 1juj s LEU 212 CO 0.03 0.27 0.04 -0.47 -1.32 0.00 0.00 176.35 174.90 1juj s TYR 213 N -0.48 3.25 -0.52 5.38 5.04 -0.13 -0.52 117.35 129.37 1juj s TYR 213 Ca 0.07 -1.67 -0.06 0.00 -2.44 0.00 0.00 57.07 52.98 1juj s TYR 213 Cb -0.09 -2.17 0.13 0.00 0.35 0.00 0.00 41.96 40.18 1juj s TYR 213 CO -0.00 -0.77 0.36 -1.14 -1.34 0.00 0.00 175.55 172.66 1juj s GLN 214 N 1.32 2.43 0.42 4.97 0.74 -0.22 -2.39 119.66 126.93 1juj s GLN 214 Ca -0.04 -2.02 0.17 0.00 0.05 0.00 0.00 55.36 53.53 1juj s GLN 214 Cb -0.19 -3.81 1.08 0.00 1.10 0.00 0.00 33.01 31.19 1juj s GLN 214 CO 0.00 -1.16 1.87 0.07 -0.55 0.00 0.00 175.29 175.52 1juj h ARG 215 N 7.93 0.39 -3.97 1.67 0.11 -1.65 -1.80 114.38 117.06 1juj h ARG 215 Ca -0.12 -0.02 -0.39 0.00 0.10 0.00 0.00 59.98 59.55 1juj h ARG 215 Cb 1.03 -0.09 -0.34 0.00 1.11 0.00 0.00 29.97 31.69 1juj h ARG 215 CO 0.77 0.26 -0.77 0.45 0.10 0.00 0.00 179.97 180.78 1juj s SER 216 N -5.69 0.79 -0.14 0.08 0.15 -1.24 -1.24 113.70 106.41 1juj s SER 216 Ca -0.08 -0.10 -0.02 0.00 0.70 0.00 0.00 55.95 56.45 1juj s SER 216 Cb 0.22 -0.38 0.04 0.00 -1.71 0.00 0.00 66.02 64.20 1juj s SER 216 CO 0.78 -0.06 0.00 -0.83 1.20 0.00 0.00 173.24 174.33 1juj s GLY 217 N 0.87 0.68 -0.95 9.45 0.00 -0.87 -4.77 107.32 111.72 1juj s GLY 217 Ca -0.11 -0.51 -0.22 0.00 0.00 0.00 0.00 44.72 43.88 1juj s GLY 217 CO -0.00 1.20 1.30 -0.35 0.00 0.00 0.00 173.10 175.25 1juj s ASP 218 N 1.85 6.50 0.60 1.64 3.68 -1.26 -2.06 116.67 127.61 1juj s ASP 218 Ca 0.02 -1.55 0.29 0.00 2.13 0.00 0.00 52.55 53.44 1juj s ASP 218 Cb -0.15 -2.50 1.29 0.00 -1.45 0.00 0.00 42.92 40.11 1juj s ASP 218 CO -0.07 -1.38 1.67 -0.03 0.13 0.00 0.00 175.17 175.49 1juj h MET 219 N 9.48 0.00 0.03 4.34 4.05 -1.87 -2.49 114.93 128.47 1juj h MET 219 Ca 0.12 0.00 -0.34 0.00 -0.28 0.00 0.00 59.70 59.20 1juj h MET 219 Cb 1.02 0.00 -0.05 0.00 -0.80 0.00 0.00 31.60 31.77 1juj h MET 219 CO 1.30 0.00 -2.08 0.41 0.23 0.00 0.00 176.91 176.77 1juj n GLY 220 N -1.60 -0.79 0.33 1.39 0.00 -1.26 -4.61 105.19 98.65 1juj n GLY 220 Ca 0.15 -0.19 0.00 0.00 0.00 0.00 0.00 46.02 45.98 1juj n GLY 220 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1juj n LEU 221 N -3.10 0.00 -0.18 0.99 4.77 -0.98 -4.83 117.00 113.67 1juj n LEU 221 Ca -0.29 0.00 -0.08 0.00 -0.03 0.00 0.00 56.01 55.60 1juj n LEU 221 Cb 1.07 -0.28 0.01 0.00 -2.33 0.00 0.00 43.42 41.89 1juj n LEU 221 CO 0.41 -0.45 0.94 1.23 -1.33 0.00 0.00 177.39 178.19 1juj h GLY 222 N 0.00 0.83 0.17 -0.72 0.00 -1.83 -3.30 103.07 98.21 1juj h GLY 222 Ca 0.00 -0.47 0.02 0.00 0.00 0.00 0.00 47.33 46.88 1juj h GLY 222 CO 0.00 0.44 -0.49 -2.08 0.00 0.00 0.00 176.54 174.41 1juj h VAL 223 N 0.69 0.06 -0.91 4.60 2.07 -1.73 0.62 116.25 121.65 1juj h VAL 223 Ca 0.17 0.00 0.22 0.00 0.82 0.00 0.00 66.70 67.91 1juj h VAL 223 Cb 0.23 0.06 -0.12 0.00 -1.52 0.00 0.00 31.29 29.93 1juj h VAL 223 CO -0.01 0.00 0.41 -0.65 0.02 0.00 0.00 177.57 177.34 1juj h PRO 224 N -0.71 0.40 -0.59 1.57 0.11 -1.82 0.54 132.00 131.51 1juj h PRO 224 Ca 0.01 -0.02 -0.09 0.00 0.11 0.00 0.00 66.00 66.00 1juj h PRO 224 Cb 0.73 -0.09 -0.02 0.00 0.11 0.00 0.00 31.00 31.73 1juj h PRO 224 CO -0.28 0.27 0.02 0.74 -0.21 0.00 0.00 178.00 178.53 1juj h PHE 225 N 0.42 1.12 -0.52 0.65 -1.00 -1.33 -3.14 116.94 113.13 1juj h PHE 225 Ca 0.57 -0.19 -0.11 0.00 2.81 0.00 0.00 57.97 61.06 1juj h PHE 225 Cb 1.08 -0.29 -0.02 0.00 3.61 0.00 0.00 35.95 40.33 1juj h PHE 225 CO -0.12 0.99 -0.09 -0.91 -1.61 0.00 0.00 178.31 176.57 1juj h ASN 226 N 0.93 0.98 -0.90 2.17 2.35 0.52 -2.15 115.58 119.47 1juj h ASN 226 Ca 0.17 -0.35 -0.00 0.00 -0.55 0.00 0.00 56.30 55.57 1juj h ASN 226 Cb 0.53 -0.27 -0.04 0.00 0.05 0.00 0.00 38.32 38.59 1juj h ASN 226 CO 0.03 1.09 0.56 0.40 -1.65 0.00 0.00 177.43 177.86 1juj h ILE 227 N 0.84 1.24 -0.13 2.81 2.04 -0.83 -2.32 117.51 121.16 1juj h ILE 227 Ca 0.14 -0.50 -0.18 0.00 1.00 0.00 0.00 64.86 65.32 1juj h ILE 227 Cb 0.65 -0.04 -0.00 0.00 -0.74 0.00 0.00 36.82 36.68 1juj h ILE 227 CO 0.04 0.25 -0.66 0.00 0.00 0.00 0.00 178.15 177.78 1juj h ALA 228 N 1.38 0.61 -0.50 1.87 0.00 -1.49 -2.69 119.26 118.44 1juj h ALA 228 Ca 0.32 -0.57 -0.08 0.00 0.00 0.00 0.00 54.91 54.59 1juj h ALA 228 Cb -0.08 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 17.62 1juj h ALA 228 CO -0.06 0.72 0.00 1.03 0.00 0.00 0.00 179.25 180.94 1juj h SER 229 N 0.37 0.79 0.94 0.00 0.87 -0.90 -0.94 113.55 114.68 1juj h SER 229 Ca -0.02 -0.19 -0.22 0.00 -1.23 0.00 0.00 61.79 60.13 1juj h SER 229 Cb 1.23 -0.21 -0.03 0.00 -0.44 0.00 0.00 62.40 62.94 1juj h SER 229 CO 0.12 0.86 -1.09 1.88 -0.53 0.00 0.00 176.83 178.07 1juj h TYR 230 N 0.77 0.00 -0.46 2.24 0.05 -1.47 -2.12 116.97 115.98 1juj h TYR 230 Ca 0.15 0.00 -0.11 0.00 0.05 0.00 0.00 58.73 58.82 1juj h TYR 230 Cb 0.46 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 38.19 1juj h TYR 230 CO 0.03 0.98 -0.13 0.00 -1.05 0.00 0.00 178.16 177.99 1juj h ALA 231 N 1.02 0.64 0.25 3.88 0.00 -1.35 -1.28 119.26 122.42 1juj h ALA 231 Ca -0.05 -0.35 -0.01 0.00 0.00 0.00 0.00 54.91 54.50 1juj h ALA 231 Cb 1.79 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 19.42 1juj h ALA 231 CO 0.12 0.55 -0.12 1.25 0.00 0.00 0.00 179.25 181.05 1juj h LEU 232 N 0.74 -0.29 -1.00 0.00 6.46 -1.18 -1.29 115.31 118.75 1juj h LEU 232 Ca 0.11 -0.05 0.15 0.00 -0.12 0.00 0.00 57.88 57.97 1juj h LEU 232 Cb 0.68 0.07 -0.09 0.00 -0.73 0.00 0.00 40.66 40.59 1juj h LEU 232 CO 0.05 -0.13 0.62 0.25 -0.62 0.00 0.00 178.44 178.61 1juj h LEU 233 N -0.42 0.86 0.24 2.25 5.85 -1.30 -0.00 115.31 122.79 1juj h LEU 233 Ca -0.03 0.07 -0.01 0.00 0.84 0.00 0.00 57.88 58.74 1juj h LEU 233 Cb 0.32 -0.09 0.00 0.00 0.37 0.00 0.00 40.66 41.26 1juj h LEU 233 CO 0.06 0.39 -0.11 0.74 -0.34 0.00 0.00 178.44 179.18 1juj h THR 234 N 0.89 0.80 -0.58 1.05 2.02 -0.94 -1.02 112.91 115.13 1juj h THR 234 Ca 0.53 -0.21 0.12 0.00 0.77 0.00 0.00 66.41 67.62 1juj h THR 234 Cb 0.67 0.92 -0.10 0.00 -1.74 0.00 0.00 68.15 67.91 1juj h THR 234 CO -0.32 0.05 -0.00 1.88 0.37 0.00 0.00 175.52 177.50 1juj h TYR 235 N -0.42 -0.04 -0.19 3.16 -1.99 0.03 0.13 116.97 117.65 1juj h TYR 235 Ca -0.03 0.04 0.03 0.00 2.00 0.00 0.00 58.73 60.77 1juj h TYR 235 Cb 0.32 0.11 -0.02 0.00 2.00 0.00 0.00 36.73 39.13 1juj h TYR 235 CO -0.03 -0.15 0.03 0.52 -0.00 0.00 0.00 178.16 178.53 1juj h MET 236 N 0.12 0.10 -0.09 4.88 2.86 -0.89 -1.91 114.93 120.00 1juj h MET 236 Ca 0.30 -0.01 -0.00 0.00 -2.06 0.00 0.00 59.70 57.93 1juj h MET 236 Cb 0.47 -0.02 -0.00 0.00 0.06 0.00 0.00 31.60 32.10 1juj h MET 236 CO -0.49 0.07 0.05 0.82 1.06 0.00 0.00 176.91 178.42 1juj h ILE 237 N 0.11 1.07 -0.79 -1.22 1.08 -0.27 -2.80 117.51 114.69 1juj h ILE 237 Ca 0.09 -0.20 0.13 0.00 -0.39 0.00 0.00 64.86 64.48 1juj h ILE 237 Cb 0.08 1.04 -0.06 0.00 -3.07 0.00 0.00 36.82 34.82 1juj h ILE 237 CO -0.12 0.07 0.52 0.00 -0.69 0.00 0.00 178.15 177.93 1juj h ALA 238 N 0.97 1.94 -0.19 1.87 0.00 -0.58 -2.08 119.26 121.19 1juj h ALA 238 Ca 0.03 0.00 -0.06 0.00 0.00 0.00 0.00 54.91 54.88 1juj h ALA 238 Cb 0.06 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 17.74 1juj h ALA 238 CO -0.01 -0.14 -0.13 1.25 0.00 0.00 0.00 179.25 180.23 1juj h HIS 239 N 0.57 0.50 0.00 0.00 -0.00 -1.13 0.93 115.15 116.02 1juj h HIS 239 Ca 0.38 -0.13 -0.04 0.00 -0.00 0.00 0.00 60.37 60.57 1juj h HIS 239 Cb 0.69 -0.11 -0.01 0.00 -0.00 0.00 0.00 27.41 27.98 1juj h HIS 239 CO -0.00 0.75 -0.21 0.82 -0.00 0.00 0.00 177.93 179.29 1juj h ILE 240 N 0.11 0.49 -0.01 6.26 2.04 -1.21 -2.94 117.51 122.24 1juj h ILE 240 Ca 0.04 -1.12 0.00 0.00 1.00 0.00 0.00 64.86 64.77 1juj h ILE 240 Cb 0.64 1.79 0.00 0.00 -0.74 0.00 0.00 36.82 38.51 1juj h ILE 240 CO 0.04 0.21 -0.57 0.35 0.00 0.00 0.00 178.15 178.17 1juj n THR 241 N -3.34 0.00 -2.74 -0.27 -2.24 -0.82 -4.98 114.28 99.90 1juj n THR 241 Ca 0.00 -0.21 -0.09 0.00 -2.27 0.00 0.00 64.05 61.48 1juj n THR 241 Cb 0.44 1.14 0.04 0.00 -2.10 0.00 0.00 70.33 69.86 1juj n THR 241 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1juj n GLY 242 N 1.34 0.09 3.55 3.38 0.00 0.29 -4.98 105.19 108.86 1juj n GLY 242 Ca 0.06 -0.21 -0.26 0.00 0.00 0.00 0.00 46.02 45.62 1juj n GLY 242 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1juj s LEU 243 N -4.07 2.25 -0.22 0.99 1.43 0.30 -5.01 118.68 114.35 1juj s LEU 243 Ca 0.05 -1.51 -0.07 0.00 -1.03 0.00 0.00 54.13 51.57 1juj s LEU 243 Cb -0.02 -0.44 -0.03 0.00 0.03 0.00 0.00 46.19 45.72 1juj s LEU 243 CO 0.35 -0.72 0.06 -0.75 0.23 0.00 0.00 176.35 175.52 1juj s LYS 244 N -3.81 3.78 0.29 1.70 2.36 -0.33 -4.39 119.74 119.34 1juj s LYS 244 Ca 0.27 -0.43 -0.29 0.00 -2.55 0.00 0.00 55.97 52.97 1juj s LYS 244 Cb 0.06 -3.26 -0.13 0.00 -1.05 0.00 0.00 37.83 33.45 1juj s LYS 244 CO 0.13 0.02 1.29 -0.35 1.55 0.00 0.00 175.35 177.99 1juj n PRO 245 N 4.30 1.96 0.00 4.03 -0.04 -1.26 -1.50 135.00 142.49 1juj n PRO 245 Ca -0.16 0.69 0.00 0.00 -0.04 0.00 0.00 63.50 63.99 1juj n PRO 245 Cb 0.52 -2.27 0.00 0.00 -0.04 0.00 0.00 33.50 31.71 1juj n PRO 245 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1juj n GLY 246 N 1.37 0.30 3.40 0.55 0.00 0.10 -4.02 105.19 106.90 1juj n GLY 246 Ca 0.08 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.81 1juj n GLY 246 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1juj s ASP 247 N -0.24 3.41 -0.30 1.61 1.01 -1.26 0.40 116.67 121.31 1juj s ASP 247 Ca 0.00 -0.70 -0.01 0.00 0.71 0.00 0.00 52.55 52.55 1juj s ASP 247 Cb 0.00 -0.29 0.05 0.00 1.01 0.00 0.00 42.92 43.70 1juj s ASP 247 CO 0.00 0.19 -0.01 0.12 0.21 0.00 0.00 175.17 175.68 1juj s PHE 248 N -1.05 3.29 -0.25 4.23 5.36 0.24 -0.89 117.98 128.92 1juj s PHE 248 Ca 0.14 -1.99 -0.11 0.00 -0.96 0.00 0.00 56.93 54.01 1juj s PHE 248 Cb -0.10 -2.15 -0.05 0.00 -0.34 0.00 0.00 43.02 40.38 1juj s PHE 248 CO 0.06 -0.83 0.18 0.42 -1.46 0.00 0.00 175.22 173.60 1juj s ILE 249 N 1.22 5.34 -0.33 3.12 1.01 0.25 -1.22 121.20 130.58 1juj s ILE 249 Ca -0.05 0.22 -0.08 0.00 0.00 0.00 0.00 60.65 60.74 1juj s ILE 249 Cb -0.20 -3.52 0.03 0.00 0.01 0.00 0.00 42.46 38.77 1juj s ILE 249 CO -0.02 0.32 0.13 -2.28 0.00 0.00 0.00 174.94 173.09 1juj s HIS 250 N 1.22 3.22 -0.24 3.97 2.46 0.27 -0.35 115.29 125.84 1juj s HIS 250 Ca 0.08 -1.13 -0.05 0.00 0.47 0.00 0.00 55.06 54.43 1juj s HIS 250 Cb -0.14 -2.32 -0.01 0.00 -0.13 0.00 0.00 32.58 29.98 1juj s HIS 250 CO 0.06 -0.65 0.01 0.99 -2.47 0.00 0.00 174.74 172.68 1juj s THR 251 N 1.48 3.78 0.26 0.89 2.01 0.32 -1.45 115.64 122.93 1juj s THR 251 Ca 0.01 -0.41 0.01 0.00 0.31 0.00 0.00 61.69 61.61 1juj s THR 251 Cb -0.19 -2.77 -0.04 0.00 0.01 0.00 0.00 72.50 69.51 1juj s THR 251 CO 0.04 0.35 0.44 -0.76 -0.69 0.00 0.00 174.62 173.99 1juj s LEU 252 N 1.53 4.17 0.00 4.42 2.01 0.16 -1.05 118.68 129.92 1juj s LEU 252 Ca 0.06 0.37 0.00 0.00 0.01 0.00 0.00 54.13 54.56 1juj s LEU 252 Cb -0.15 -3.17 0.00 0.00 0.01 0.00 0.00 46.19 42.88 1juj s LEU 252 CO -0.00 -0.13 0.00 0.61 1.01 0.00 0.00 176.35 177.84 1juj n GLY 253 N -1.15 0.40 3.46 -3.19 0.00 -0.68 -2.85 105.19 101.19 1juj n GLY 253 Ca -0.05 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.53 1juj n GLY 253 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1juj s ASP 254 N -0.02 6.63 -0.60 1.61 3.68 -0.37 -1.39 116.67 126.22 1juj s ASP 254 Ca 0.00 -2.02 -0.23 0.00 2.13 0.00 0.00 52.55 52.43 1juj s ASP 254 Cb 0.00 -2.42 0.05 0.00 -1.45 0.00 0.00 42.92 39.10 1juj s ASP 254 CO 0.00 -1.10 0.94 0.00 0.13 0.00 0.00 175.17 175.14 1juj s ALA 255 N 2.92 3.14 0.51 3.66 0.00 -0.60 -2.05 121.76 129.34 1juj s ALA 255 Ca 0.35 -1.53 0.05 0.00 0.00 0.00 0.00 51.96 50.83 1juj s ALA 255 Cb -0.04 -3.78 0.01 0.00 0.00 0.00 0.00 23.12 19.31 1juj s ALA 255 CO -0.09 -2.55 0.25 -3.38 0.00 0.00 0.00 175.76 169.99 1juj s HIS 256 N 3.96 1.90 -0.17 0.00 -3.43 -0.87 -2.42 115.29 114.25 1juj s HIS 256 Ca 0.26 -0.82 -0.05 0.00 -0.80 0.00 0.00 55.06 53.65 1juj s HIS 256 Cb -0.15 -1.85 0.06 0.00 -1.43 0.00 0.00 32.58 29.22 1juj s HIS 256 CO 0.15 -0.15 0.11 0.42 -2.00 0.00 0.00 174.74 173.27 1juj s ILE 257 N -2.76 -0.12 0.35 -5.38 1.01 -0.03 -2.45 121.20 111.82 1juj s ILE 257 Ca 0.28 -0.15 -0.29 0.00 0.00 0.00 0.00 60.65 60.49 1juj s ILE 257 Cb -0.00 -0.58 -0.11 0.00 0.01 0.00 0.00 42.46 41.77 1juj s ILE 257 CO 0.16 -0.27 1.48 -1.22 0.00 0.00 0.00 174.94 175.10 1juj n TYR 258 N 5.28 2.85 -0.23 3.97 4.02 -1.26 -1.71 117.16 130.08 1juj n TYR 258 Ca -0.07 0.42 0.22 0.00 -0.01 0.00 0.00 57.90 58.46 1juj n TYR 258 Cb 0.49 -2.53 0.57 0.00 -0.02 0.00 0.00 39.34 37.85 1juj n TYR 258 CO 0.00 0.00 0.00 -0.07 -1.01 0.00 0.00 176.86 175.78 1juj h LEU 259 N 3.33 0.30 -0.81 7.72 3.38 -1.91 0.04 115.31 127.36 1juj h LEU 259 Ca -0.49 0.03 0.00 0.00 0.09 0.00 0.00 57.88 57.51 1juj h LEU 259 Cb 1.24 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 41.98 1juj h LEU 259 CO 0.67 0.11 0.00 -0.46 0.09 0.00 0.00 178.44 178.85 1juj n ASN 260 N -4.46 1.03 -0.00 -0.43 6.94 -1.26 -2.88 115.26 114.20 1juj n ASN 260 Ca 0.20 -2.06 0.03 0.00 -0.02 0.00 0.00 54.58 52.73 1juj n ASN 260 Cb 0.79 -0.28 -0.03 0.00 -2.36 0.00 0.00 39.78 37.89 1juj n ASN 260 CO 0.00 0.00 0.00 1.41 -1.03 0.00 0.00 177.26 177.64 1juj n HIS 261 N -0.08 0.00 -0.10 -2.53 8.25 0.00 -4.76 115.22 116.00 1juj n HIS 261 Ca 0.03 0.00 -0.06 0.00 -0.26 0.00 0.00 57.72 57.44 1juj n HIS 261 Cb 0.22 -0.04 0.02 0.00 1.12 0.00 0.00 29.99 31.31 1juj n HIS 261 CO 0.00 0.00 0.00 0.82 0.64 0.00 0.00 176.34 177.80 1juj h ILE 262 N 0.00 0.80 0.54 1.59 2.04 -1.60 -1.00 117.51 119.87 1juj h ILE 262 Ca 0.00 -0.06 -0.02 0.00 1.00 0.00 0.00 64.86 65.78 1juj h ILE 262 Cb 0.17 0.61 0.00 0.00 -0.74 0.00 0.00 36.82 36.86 1juj h ILE 262 CO 0.00 0.03 -0.28 -0.33 0.00 0.00 0.00 178.15 177.57 1juj h GLU 263 N 0.17 -0.73 0.23 2.37 4.39 -1.86 -1.82 114.58 117.33 1juj h GLU 263 Ca 0.17 0.05 0.00 0.00 0.34 0.00 0.00 59.36 59.92 1juj h GLU 263 Cb 0.21 0.17 -0.03 0.00 -0.10 0.00 0.00 28.75 28.99 1juj h GLU 263 CO -0.24 -0.48 -0.47 -1.35 -1.16 0.00 0.00 179.01 175.31 1juj h PRO 264 N -0.75 -0.72 -0.85 2.33 0.11 -1.84 -2.01 132.00 128.27 1juj h PRO 264 Ca -0.07 0.05 0.22 0.00 0.11 0.00 0.00 66.00 66.31 1juj h PRO 264 Cb 0.59 0.16 -0.05 0.00 0.11 0.00 0.00 31.00 31.82 1juj h PRO 264 CO 0.10 -0.48 0.59 -0.07 -0.21 0.00 0.00 178.00 177.93 1juj h LEU 265 N -0.75 0.15 -1.81 2.35 -0.00 -1.22 0.24 115.31 114.27 1juj h LEU 265 Ca -0.02 0.02 -0.02 0.00 -0.00 0.00 0.00 57.88 57.85 1juj h LEU 265 Cb 0.71 -0.01 -0.00 0.00 -0.00 0.00 0.00 40.66 41.36 1juj h LEU 265 CO -0.19 0.06 -0.12 0.50 -0.00 0.00 0.00 178.44 178.69 1juj h LYS 266 N 0.15 0.00 0.00 1.13 3.64 -0.56 -0.80 116.57 120.13 1juj h LYS 266 Ca 0.42 0.00 -0.00 0.00 -1.27 0.00 0.00 60.65 59.80 1juj h LYS 266 Cb 1.42 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 33.24 1juj h LYS 266 CO -0.07 0.12 -0.11 0.82 -2.27 0.00 0.00 179.45 177.94 1juj h ILE 267 N 0.00 0.11 -1.22 2.00 1.08 -0.33 -3.32 117.51 115.82 1juj h ILE 267 Ca -0.00 -1.09 0.36 0.00 -0.39 0.00 0.00 64.86 63.74 1juj h ILE 267 Cb 0.40 0.21 -0.05 0.00 -3.07 0.00 0.00 36.82 34.31 1juj h ILE 267 CO 0.02 0.04 0.98 -0.61 -0.69 0.00 0.00 178.15 177.89 1juj h GLN 268 N -1.00 0.00 0.00 2.37 4.15 -1.27 1.12 115.11 120.48 1juj h GLN 268 Ca -0.00 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.42 1juj h GLN 268 Cb 0.16 0.00 0.00 0.00 0.21 0.00 0.00 27.48 27.85 1juj h GLN 268 CO -0.00 0.00 0.00 -0.07 -1.93 0.00 0.00 178.83 176.83 1juj h LEU 269 N 0.00 0.00 -3.32 -2.39 3.38 -1.24 -2.89 115.31 108.84 1juj h LEU 269 Ca 0.58 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.55 1juj h LEU 269 Cb 2.54 0.00 0.00 0.00 0.09 0.00 0.00 40.66 43.29 1juj h LEU 269 CO -0.01 0.00 0.00 0.00 0.09 0.00 0.00 178.44 178.52 1juj n GLN 270 N -2.45 4.12 -4.04 1.13 6.02 0.39 -4.95 117.38 117.59 1juj n GLN 270 Ca 0.03 -2.98 -0.36 0.00 -0.01 0.00 0.00 57.00 53.67 1juj n GLN 270 Cb 0.30 -2.03 -0.07 0.00 1.02 0.00 0.00 30.24 29.46 1juj n GLN 270 CO 0.00 0.00 0.00 1.03 -1.01 0.00 0.00 177.06 177.08 1juj s ARG 271 N -2.29 3.28 0.14 -1.09 0.52 -1.10 -5.09 118.95 113.33 1juj s ARG 271 Ca 0.51 -0.23 -0.30 0.00 -0.52 0.00 0.00 55.73 55.19 1juj s ARG 271 Cb 0.36 -3.05 -0.07 0.00 0.52 0.00 0.00 34.95 32.71 1juj s ARG 271 CO 0.19 0.75 1.02 -1.21 0.02 0.00 0.00 175.30 176.07 1juj s GLU 272 N -1.02 4.66 0.02 3.54 2.02 -1.26 -4.95 118.70 121.70 1juj s GLU 272 Ca 0.15 1.57 -0.21 0.00 0.02 0.00 0.00 54.97 56.49 1juj s GLU 272 Cb -0.12 -3.33 -0.06 0.00 0.10 0.00 0.00 34.13 30.73 1juj s GLU 272 CO 0.04 0.17 0.63 -2.14 0.02 0.00 0.00 175.26 173.98 1juj s PRO 273 N -0.18 4.35 0.44 0.39 0.02 -1.26 -4.77 135.00 133.99 1juj s PRO 273 Ca 0.48 0.82 0.04 0.00 0.02 0.00 0.00 61.00 62.36 1juj s PRO 273 Cb -0.26 -3.34 0.01 0.00 0.02 0.00 0.00 34.50 30.93 1juj s PRO 273 CO 0.32 0.37 0.62 1.03 -0.33 0.00 0.00 177.00 179.01 1juj s ARG 274 N -0.24 2.87 0.30 5.54 1.81 -1.26 -5.04 118.95 122.92 1juj s ARG 274 Ca 0.33 -0.93 -0.29 0.00 -1.72 0.00 0.00 55.73 53.12 1juj s ARG 274 Cb -0.19 -2.67 -0.13 0.00 -0.45 0.00 0.00 34.95 31.51 1juj s ARG 274 CO 0.19 -0.31 1.24 -2.30 -0.68 0.00 0.00 175.30 173.44 1juj n PRO 275 N -1.97 1.88 -1.90 3.54 -0.02 -1.26 -4.87 135.00 130.40 1juj n PRO 275 Ca 0.05 0.66 -0.39 0.00 -2.02 0.00 0.00 63.50 61.80 1juj n PRO 275 Cb 0.59 -2.20 0.02 0.00 -0.02 0.00 0.00 33.50 31.88 1juj n PRO 275 CO 0.00 0.00 0.00 -0.06 1.98 0.00 0.00 175.50 177.42 1juj s PHE 276 N -0.81 2.50 0.34 6.00 0.08 -1.26 -4.81 117.98 120.03 1juj s PHE 276 Ca 0.60 1.38 -0.06 0.00 0.12 0.00 0.00 56.93 58.97 1juj s PHE 276 Cb -0.63 -3.74 0.09 0.00 -0.57 0.00 0.00 43.02 38.16 1juj s PHE 276 CO 0.58 -2.57 0.28 -0.35 -0.10 0.00 0.00 175.22 173.07 1juj n PRO 277 N -0.58 -1.81 -4.50 0.24 -0.04 -1.26 -4.75 135.00 122.31 1juj n PRO 277 Ca 0.08 -0.46 -0.20 0.00 -0.04 0.00 0.00 63.50 62.88 1juj n PRO 277 Cb 0.44 -0.45 -0.15 0.00 -0.04 0.00 0.00 33.50 33.30 1juj n PRO 277 CO 0.00 0.00 0.00 0.15 -0.04 0.00 0.00 175.50 175.61 1juj s LYS 278 N -3.65 0.93 -0.09 0.54 1.02 0.37 -2.35 119.74 116.52 1juj s LYS 278 Ca 0.19 -0.43 0.02 0.00 0.02 0.00 0.00 55.97 55.77 1juj s LYS 278 Cb -0.02 -0.90 -0.02 0.00 -0.52 0.00 0.00 37.83 36.37 1juj s LYS 278 CO 0.15 0.25 -0.16 -1.17 -0.92 0.00 0.00 175.35 173.49 1juj s LEU 279 N -0.32 2.58 0.12 3.17 0.20 -1.26 0.38 118.68 123.55 1juj s LEU 279 Ca 0.04 -0.33 0.10 0.00 0.69 0.00 0.00 54.13 54.63 1juj s LEU 279 Cb -0.05 -1.54 -0.04 0.00 -0.43 0.00 0.00 46.19 44.14 1juj s LEU 279 CO -0.00 0.24 -0.25 -0.13 -0.29 0.00 0.00 176.35 175.92 1juj s ARG 280 N -0.10 1.31 -0.36 1.98 0.52 0.38 -4.99 118.95 117.68 1juj s ARG 280 Ca -0.03 -1.28 -0.03 0.00 -0.52 0.00 0.00 55.73 53.88 1juj s ARG 280 Cb -0.14 -1.72 0.08 0.00 0.52 0.00 0.00 34.95 33.69 1juj s ARG 280 CO 0.04 0.41 0.12 0.42 0.02 0.00 0.00 175.30 176.30 1juj s ILE 281 N -1.09 3.21 -1.26 1.52 1.01 -1.26 -1.81 121.20 121.52 1juj s ILE 281 Ca 0.11 -1.72 -0.07 0.00 0.00 0.00 0.00 60.65 58.97 1juj s ILE 281 Cb -0.10 -3.04 0.18 0.00 0.01 0.00 0.00 42.46 39.51 1juj s ILE 281 CO 0.05 -0.42 1.96 0.00 0.00 0.00 0.00 174.94 176.53 1juj n LEU 282 N 4.62 7.04 0.00 2.97 -0.00 -0.66 -4.75 117.00 126.21 1juj n LEU 282 Ca -0.07 -4.81 0.00 0.00 -0.00 0.00 0.00 56.01 51.13 1juj n LEU 282 Cb 0.42 -1.41 0.00 0.00 -0.00 0.00 0.00 43.42 42.43 1juj n LEU 282 CO 0.30 1.63 0.00 -1.14 -0.00 0.00 0.00 177.39 178.18 1juj n ARG 283 N 2.83 0.00 -2.15 1.47 0.63 -1.26 -4.92 116.66 113.26 1juj n ARG 283 Ca 0.44 0.00 -0.42 0.00 -0.92 0.00 0.00 57.85 56.95 1juj n ARG 283 Cb 0.32 0.00 -0.03 0.00 0.45 0.00 0.00 32.46 33.21 1juj n ARG 283 CO 0.00 0.00 0.00 -1.59 -2.51 0.00 0.00 177.63 173.53 1juj s LYS 284 N -1.18 4.22 0.01 -0.14 -2.85 -1.26 -5.02 119.74 113.52 1juj s LYS 284 Ca 0.00 2.02 0.08 0.00 -1.00 0.00 0.00 55.97 57.07 1juj s LYS 284 Cb 0.00 -3.79 -0.02 0.00 -2.06 0.00 0.00 37.83 31.96 1juj s LYS 284 CO 0.00 -0.73 -0.25 0.08 0.10 0.00 0.00 175.35 174.56 1juj s VAL 285 N 3.32 2.21 -0.38 1.79 1.01 -1.26 -5.05 120.40 122.05 1juj s VAL 285 Ca 0.67 -1.19 0.04 0.00 0.00 0.00 0.00 61.98 61.50 1juj s VAL 285 Cb -0.31 -1.82 0.12 0.00 0.00 0.00 0.00 36.38 34.37 1juj s VAL 285 CO 0.26 0.49 1.09 -1.84 0.00 0.00 0.00 175.10 175.09 1juj n GLU 286 N 2.13 2.84 -4.01 2.72 0.28 -1.26 -4.49 120.64 118.85 1juj n GLU 286 Ca -0.16 -1.69 -0.19 0.00 -0.16 0.00 0.00 57.16 54.95 1juj n GLU 286 Cb 0.51 -1.11 -0.16 0.00 1.43 0.00 0.00 31.44 32.11 1juj n GLU 286 CO 0.00 0.00 0.00 0.15 -0.16 0.00 0.00 177.13 177.12 1juj s LYS 287 N -0.98 0.59 0.19 3.44 -0.14 -1.26 -5.01 119.74 116.57 1juj s LYS 287 Ca 0.09 0.00 0.15 0.00 -1.36 0.00 0.00 55.97 54.85 1juj s LYS 287 Cb 0.05 -0.73 0.76 0.00 -1.68 0.00 0.00 37.83 36.23 1juj s LYS 287 CO 0.06 -0.14 1.46 1.51 -0.76 0.00 0.00 175.35 177.48 1juj n ILE 288 N 4.28 1.29 0.91 2.17 3.06 -1.26 -1.15 119.36 128.66 1juj n ILE 288 Ca -0.22 0.56 0.11 0.00 -2.50 0.00 0.00 62.75 60.70 1juj n ILE 288 Cb 0.50 -1.53 0.13 0.00 0.54 0.00 0.00 39.64 39.29 1juj n ILE 288 CO 0.00 0.00 0.00 0.47 -2.50 0.00 0.00 176.55 174.52 1juj n ASP 289 N -1.97 0.63 0.10 9.51 9.92 -1.26 -4.01 116.55 129.47 1juj n ASP 289 Ca -0.00 -0.38 0.13 0.00 -0.53 0.00 0.00 54.79 54.01 1juj n ASP 289 Cb 0.06 0.48 0.40 0.00 -0.64 0.00 0.00 41.12 41.42 1juj n ASP 289 CO 0.00 0.00 0.00 0.47 0.13 0.00 0.00 177.20 177.80 1juj n ASP 290 N -1.61 0.81 -4.74 -2.24 10.43 -0.30 -4.88 116.55 114.02 1juj n ASP 290 Ca 0.05 0.56 -0.42 0.00 2.57 0.00 0.00 54.79 57.55 1juj n ASP 290 Cb 0.36 -0.76 -0.01 0.00 1.84 0.00 0.00 41.12 42.54 1juj n ASP 290 CO 0.00 0.00 0.00 0.49 -1.07 0.00 0.00 177.20 176.62 1juj n PHE 291 N -2.26 2.76 -4.32 1.24 3.01 -1.25 -5.02 117.46 111.61 1juj n PHE 291 Ca 0.05 0.34 -0.20 0.00 1.01 0.00 0.00 57.45 58.66 1juj n PHE 291 Cb 0.43 -2.55 -0.11 0.00 -0.01 0.00 0.00 39.48 37.24 1juj n PHE 291 CO 0.00 0.00 0.00 0.15 1.01 0.00 0.00 176.76 177.92 1juj s LYS 292 N -0.96 1.26 0.56 -1.08 -0.14 -1.26 -5.04 119.74 113.07 1juj s LYS 292 Ca 0.61 -1.46 0.25 0.00 -1.36 0.00 0.00 55.97 54.01 1juj s LYS 292 Cb -0.52 -1.17 1.51 0.00 -1.68 0.00 0.00 37.83 35.98 1juj s LYS 292 CO 0.53 0.22 2.11 0.00 -0.76 0.00 0.00 175.35 177.45 1juj h ALA 293 N 3.00 1.98 0.00 5.17 0.00 -1.96 -1.60 119.26 125.85 1juj h ALA 293 Ca -0.40 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.50 1juj h ALA 293 Cb 1.21 0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.01 1juj h ALA 293 CO 0.56 -0.25 0.00 0.39 0.00 0.00 0.00 179.25 179.94 1juj n GLU 294 N -4.14 0.02 0.12 0.00 4.71 -1.26 -3.02 120.64 117.06 1juj n GLU 294 Ca 0.01 0.13 0.13 0.00 -0.01 0.00 0.00 57.16 57.42 1juj n GLU 294 Cb 0.29 -1.53 0.42 0.00 -1.01 0.00 0.00 31.44 29.61 1juj n GLU 294 CO 0.00 0.00 0.00 -0.25 0.09 0.00 0.00 177.13 176.97 1juj n ASP 295 N -1.57 0.82 -4.50 1.62 8.00 -0.60 -4.80 116.55 115.53 1juj n ASP 295 Ca 0.05 0.60 -0.32 0.00 0.71 0.00 0.00 54.79 55.83 1juj n ASP 295 Cb 0.27 -0.81 -0.12 0.00 -0.02 0.00 0.00 41.12 40.43 1juj n ASP 295 CO 0.00 0.00 0.00 -0.36 -0.39 0.00 0.00 177.20 176.45 1juj s PHE 296 N -3.16 2.73 -0.11 1.24 0.40 -1.17 -1.65 117.98 116.26 1juj s PHE 296 Ca 0.09 -0.14 -0.10 0.00 -0.60 0.00 0.00 56.93 56.18 1juj s PHE 296 Cb 0.11 -1.60 0.03 0.00 0.51 0.00 0.00 43.02 42.07 1juj s PHE 296 CO 0.55 0.24 0.29 -1.14 0.70 0.00 0.00 175.22 175.86 1juj s GLN 297 N -0.97 0.33 0.04 0.44 0.74 -0.75 -5.01 119.66 114.48 1juj s GLN 297 Ca 0.13 0.43 0.01 0.00 0.05 0.00 0.00 55.36 55.98 1juj s GLN 297 Cb -0.11 0.13 -0.04 0.00 1.10 0.00 0.00 33.01 34.09 1juj s GLN 297 CO 0.03 -0.06 0.08 0.42 -0.55 0.00 0.00 175.29 175.21 1juj s ILE 298 N 0.30 4.63 -0.03 -2.34 1.01 -1.26 -0.47 121.20 123.03 1juj s ILE 298 Ca -0.01 -0.59 0.02 0.00 0.00 0.00 0.00 60.65 60.06 1juj s ILE 298 Cb -0.03 -3.17 0.01 0.00 0.01 0.00 0.00 42.46 39.28 1juj s ILE 298 CO -0.01 0.23 -0.06 -1.61 0.00 0.00 0.00 174.94 173.49 1juj s GLU 299 N -2.07 0.84 0.00 2.79 2.02 0.16 -4.87 118.70 117.57 1juj s GLU 299 Ca 0.26 -0.18 0.00 0.00 0.02 0.00 0.00 54.97 55.07 1juj s GLU 299 Cb -0.12 -0.81 0.00 0.00 0.10 0.00 0.00 34.13 33.30 1juj s GLU 299 CO 0.18 0.00 0.00 0.41 0.02 0.00 0.00 175.26 175.88 1juj n GLY 300 N 3.67 0.92 3.44 -1.39 0.00 -1.26 -0.48 105.19 110.09 1juj n GLY 300 Ca -0.22 -0.56 -0.44 0.00 0.00 0.00 0.00 46.02 44.80 1juj n GLY 300 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1juj s TYR 301 N -2.00 2.89 -0.64 1.61 6.04 -1.26 -4.31 117.35 119.68 1juj s TYR 301 Ca 0.00 -0.57 0.05 0.00 0.04 0.00 0.00 57.07 56.60 1juj s TYR 301 Cb 0.00 -3.96 0.29 0.00 -1.04 0.00 0.00 41.96 37.25 1juj s TYR 301 CO 0.00 -1.32 0.87 0.09 -1.54 0.00 0.00 175.55 173.65 1juj n ASN 302 N 6.85 4.21 -4.81 4.32 3.02 -1.26 -5.09 115.26 122.50 1juj n ASN 302 Ca -0.05 -3.54 -0.31 0.00 -0.03 0.00 0.00 54.58 50.64 1juj n ASN 302 Cb 0.45 -0.66 0.05 0.00 -0.61 0.00 0.00 39.78 39.01 1juj n ASN 302 CO 0.00 0.00 0.00 -2.16 -2.62 0.00 0.00 177.26 172.48 1juj s PRO 303 N -2.91 2.93 0.49 3.52 0.04 -1.26 -4.84 135.00 132.97 1juj s PRO 303 Ca 0.43 1.05 -0.19 0.00 0.04 0.00 0.00 61.00 62.33 1juj s PRO 303 Cb 0.20 -1.99 -0.08 0.00 0.04 0.00 0.00 34.50 32.67 1juj s PRO 303 CO -0.06 -1.11 1.01 -1.01 0.04 0.00 0.00 177.00 175.87 1juj s HIS 304 N -2.88 3.16 0.71 0.56 3.76 0.10 -4.93 115.29 115.77 1juj s HIS 304 Ca 0.60 1.56 -0.17 0.00 -0.15 0.00 0.00 55.06 56.89 1juj s HIS 304 Cb -0.15 -2.95 -0.10 0.00 1.11 0.00 0.00 32.58 30.49 1juj s HIS 304 CO 0.51 -0.60 -0.02 -0.35 -0.85 0.00 0.00 174.74 173.43 1juj n PRO 305 N -1.16 0.11 -0.71 8.40 -0.04 -1.26 -2.95 135.00 137.40 1juj n PRO 305 Ca 0.08 0.05 -0.32 0.00 -0.04 0.00 0.00 63.50 63.28 1juj n PRO 305 Cb 0.53 -1.34 0.16 0.00 -0.04 0.00 0.00 33.50 32.81 1juj n PRO 305 CO 0.00 0.00 0.00 2.41 -0.04 0.00 0.00 175.50 177.87 1juj n THR 306 N -2.10 0.00 -3.67 0.52 -1.04 -1.26 -4.13 114.28 102.59 1juj n THR 306 Ca 0.06 -0.15 -0.24 0.00 -2.04 0.00 0.00 64.05 61.68 1juj n THR 306 Cb 0.50 -0.80 -0.17 0.00 -1.82 0.00 0.00 70.33 68.04 1juj n THR 306 CO 0.00 0.00 0.00 -0.63 -0.64 0.00 0.00 175.07 173.80 1juj s ILE 307 N -2.48 0.07 0.10 12.58 1.01 -1.26 -4.90 121.20 126.31 1juj s ILE 307 Ca 0.62 -0.04 -0.29 0.00 0.00 0.00 0.00 60.65 60.94 1juj s ILE 307 Cb -0.21 -0.54 -0.06 0.00 0.01 0.00 0.00 42.46 41.66 1juj s ILE 307 CO 0.63 -0.08 0.90 -0.54 0.00 0.00 0.00 174.94 175.85 1juj s LYS 308 N 2.08 4.65 -0.04 2.79 1.02 -1.26 -5.02 119.74 123.95 1juj s LYS 308 Ca 0.03 1.34 -0.01 0.00 0.02 0.00 0.00 55.97 57.35 1juj s LYS 308 Cb -0.15 -3.37 0.03 0.00 -0.52 0.00 0.00 37.83 33.83 1juj s LYS 308 CO -0.07 0.25 0.09 -1.64 -0.92 0.00 0.00 175.35 173.06 1juj s MET 309 N -0.07 0.03 0.36 1.68 -1.94 -1.26 -4.97 119.30 113.13 1juj s MET 309 Ca 0.44 0.27 -0.26 0.00 -1.71 0.00 0.00 55.69 54.44 1juj s MET 309 Cb -0.23 -0.20 -0.09 0.00 2.01 0.00 0.00 34.83 36.32 1juj s MET 309 CO 0.28 -0.16 1.04 -2.00 -0.01 0.00 0.00 175.02 174.17 1juj s GLU 310 N 1.08 4.34 0.05 2.03 2.12 -1.26 -5.03 118.70 122.03 1juj s GLU 310 Ca -0.09 1.55 -0.24 0.00 0.36 0.00 0.00 54.97 56.55 1juj s GLU 310 Cb -0.12 -2.73 -0.06 0.00 0.26 0.00 0.00 34.13 31.49 1juj s GLU 310 CO -0.04 0.01 0.71 1.41 -0.54 0.00 0.00 175.26 176.80 1juj s MET 311 N -2.19 4.44 -0.35 4.30 -2.45 -1.26 -5.01 119.30 116.78 1juj s MET 311 Ca 0.54 0.97 -0.23 0.00 -1.25 0.00 0.00 55.69 55.72 1juj s MET 311 Cb -0.24 -3.34 0.01 0.00 1.25 0.00 0.00 34.83 32.51 1juj s MET 311 CO 0.30 0.36 0.76 0.00 1.05 0.00 0.00 175.02 177.49 1juj s ALA 312 N -0.29 3.45 -2.37 4.11 0.00 -1.26 -5.21 121.76 120.19 1juj s ALA 312 Ca 0.36 -0.65 0.29 0.00 0.00 0.00 0.00 51.96 51.95 1juj s ALA 312 Cb -0.20 -3.32 1.27 0.00 0.00 0.00 0.00 23.12 20.86 1juj s ALA 312 CO 0.22 -1.42 1.87 1.55 0.00 0.00 0.00 175.76 177.97