#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1muj s ILE 1 N 0.00 4.43 0.44 5.18 1.01 -1.26 -5.09 121.20 125.91 1muj s ILE 1 Ca 0.00 -0.94 -0.18 0.00 0.00 0.00 0.00 60.65 59.53 1muj s ILE 1 Cb 0.00 -3.49 -0.10 0.00 0.01 0.00 0.00 42.46 38.88 1muj s ILE 1 CO 0.00 -0.24 0.92 -1.83 0.00 0.00 0.00 174.94 173.79 1muj s GLU 2 N 1.52 4.10 0.04 2.79 -1.05 -1.26 -5.07 118.70 119.77 1muj s GLU 2 Ca 0.01 0.98 -0.29 0.00 -0.15 0.00 0.00 54.97 55.52 1muj s GLU 2 Cb -0.19 -2.21 0.10 0.00 -0.44 0.00 0.00 34.13 31.38 1muj s GLU 2 CO 0.06 -0.07 1.16 0.00 0.95 0.00 0.00 175.26 177.36 1muj s ALA 3 N -2.29 -2.02 0.07 -0.84 0.00 -1.26 -5.02 121.76 110.41 1muj s ALA 3 Ca 0.59 0.53 -0.10 0.00 0.00 0.00 0.00 51.96 52.99 1muj s ALA 3 Cb -0.09 0.44 -0.27 0.00 0.00 0.00 0.00 23.12 23.20 1muj s ALA 3 CO 0.20 -1.03 1.13 -0.44 0.00 0.00 0.00 175.76 175.62 1muj h ASP 4 N 2.00 0.66 -4.84 0.00 5.19 -2.09 -3.47 116.42 113.87 1muj h ASP 4 Ca -0.27 -0.65 -0.13 0.00 -0.62 0.00 0.00 57.03 55.36 1muj h ASP 4 Cb 1.21 -0.21 -0.21 0.00 0.18 0.00 0.00 39.33 40.30 1muj h ASP 4 CO 0.27 1.48 -0.32 -1.00 -3.12 0.00 0.00 179.24 176.55 1muj s HIS 5 N -2.83 -0.17 -0.15 4.55 3.76 -1.26 -5.09 115.29 114.11 1muj s HIS 5 Ca -0.07 0.27 0.00 0.00 -0.15 0.00 0.00 55.06 55.12 1muj s HIS 5 Cb 0.06 0.08 0.02 0.00 1.11 0.00 0.00 32.58 33.85 1muj s HIS 5 CO 0.91 -0.34 -0.14 0.08 -0.85 0.00 0.00 174.74 174.39 1muj s VAL 6 N -1.14 1.60 -0.38 -0.90 1.01 -1.26 -5.02 120.40 114.30 1muj s VAL 6 Ca -0.12 -0.65 -0.06 0.00 0.00 0.00 0.00 61.98 61.15 1muj s VAL 6 Cb -0.05 -1.49 0.07 0.00 0.00 0.00 0.00 36.38 34.90 1muj s VAL 6 CO 0.03 0.46 0.17 -0.83 0.00 0.00 0.00 175.10 174.94 1muj s GLY 7 N 1.47 1.91 -0.66 4.51 0.00 -1.26 -1.43 107.32 111.86 1muj s GLY 7 Ca 0.05 -2.03 -0.20 0.00 0.00 0.00 0.00 44.72 42.53 1muj s GLY 7 CO -0.11 0.88 0.86 -1.59 0.00 0.00 0.00 173.10 173.15 1muj s THR 8 N 1.36 4.60 -0.76 0.90 2.01 -0.59 -4.95 115.64 118.22 1muj s THR 8 Ca 0.01 -0.80 -0.15 0.00 0.31 0.00 0.00 61.69 61.07 1muj s THR 8 Cb -0.21 -4.61 0.19 0.00 0.01 0.00 0.00 72.50 67.87 1muj s THR 8 CO 0.01 -1.31 0.73 -0.31 -0.69 0.00 0.00 174.62 173.05 1muj s TYR 9 N 3.26 3.56 0.00 4.92 2.02 -1.26 -1.29 117.35 128.55 1muj s TYR 9 Ca 0.18 -1.73 0.00 0.00 -0.37 0.00 0.00 57.07 55.15 1muj s TYR 9 Cb -0.19 -3.86 0.00 0.00 -0.40 0.00 0.00 41.96 37.51 1muj s TYR 9 CO 0.06 -1.05 0.00 0.41 -1.57 0.00 0.00 175.55 173.40 1muj n GLY 9 N 4.45 1.27 2.90 0.71 0.00 -1.24 -5.07 105.19 108.20 1muj n GLY 9 Ca 0.07 -0.89 -0.27 0.00 0.00 0.00 0.00 46.02 44.93 1muj n GLY 9 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1muj s ILE 10 N 0.00 1.01 -0.19 -0.61 1.01 -0.85 -4.99 121.20 116.57 1muj s ILE 10 Ca 0.00 -0.34 0.00 0.00 0.00 0.00 0.00 60.65 60.31 1muj s ILE 10 Cb 0.00 -1.07 0.02 0.00 0.01 0.00 0.00 42.46 41.41 1muj s ILE 10 CO 0.00 0.31 -0.16 -0.44 0.00 0.00 0.00 174.94 174.65 1muj s SER 11 N 1.71 3.44 -0.09 3.58 0.01 -1.26 -2.20 113.70 118.89 1muj s SER 11 Ca 0.04 -0.63 0.03 0.00 1.31 0.00 0.00 55.95 56.70 1muj s SER 11 Cb -0.13 -1.54 -0.02 0.00 0.21 0.00 0.00 66.02 64.55 1muj s SER 11 CO -0.08 -0.01 -0.18 -0.69 0.41 0.00 0.00 173.24 172.69 1muj s VAL 12 N 1.32 2.70 -0.01 3.43 1.01 0.05 -4.98 120.40 123.92 1muj s VAL 12 Ca 0.05 -0.82 -0.01 0.00 0.00 0.00 0.00 61.98 61.20 1muj s VAL 12 Cb -0.14 -2.07 0.01 0.00 0.00 0.00 0.00 36.38 34.18 1muj s VAL 12 CO -0.11 0.56 0.03 -0.47 0.00 0.00 0.00 175.10 175.11 1muj s TYR 13 N -0.08 -0.02 0.02 5.22 5.04 -1.26 -0.71 117.35 125.57 1muj s TYR 13 Ca -0.04 0.09 0.03 0.00 -2.44 0.00 0.00 57.07 54.72 1muj s TYR 13 Cb -0.14 -0.04 -0.02 0.00 0.35 0.00 0.00 41.96 42.11 1muj s TYR 13 CO 0.04 -0.03 -0.11 -0.65 -1.34 0.00 0.00 175.55 173.46 1muj s GLN 14 N 0.25 0.75 0.03 4.97 -0.21 0.17 -5.00 119.66 120.62 1muj s GLN 14 Ca -0.02 -0.58 0.01 0.00 0.02 0.00 0.00 55.36 54.79 1muj s GLN 14 Cb -0.03 -0.70 -0.02 0.00 1.00 0.00 0.00 33.01 33.26 1muj s GLN 14 CO -0.01 0.18 -0.05 -1.54 -2.12 0.00 0.00 175.29 171.75 1muj s SER 15 N -0.86 0.50 0.47 5.90 1.04 -1.26 -2.12 113.70 117.37 1muj s SER 15 Ca -0.00 -0.52 -0.20 0.00 0.48 0.00 0.00 55.95 55.71 1muj s SER 15 Cb -0.06 0.07 -0.09 0.00 0.10 0.00 0.00 66.02 66.04 1muj s SER 15 CO 0.00 -0.26 1.00 -2.16 0.98 0.00 0.00 173.24 172.81 1muj s PRO 16 N -1.51 3.94 0.00 4.02 0.04 -1.26 -5.00 135.00 135.23 1muj s PRO 16 Ca -0.13 1.24 0.00 0.00 0.04 0.00 0.00 61.00 62.15 1muj s PRO 16 Cb -0.10 -2.13 0.00 0.00 0.04 0.00 0.00 34.50 32.32 1muj s PRO 16 CO -0.00 -0.29 0.00 0.41 0.04 0.00 0.00 177.00 177.15 1muj n GLY 17 N -0.51 1.00 3.08 0.56 0.00 -1.26 -4.83 105.19 103.23 1muj n GLY 17 Ca 0.08 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.90 1muj n GLY 17 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1muj n ASP 18 N 0.00 -4.28 -4.63 1.61 8.00 -1.01 -4.89 116.55 111.34 1muj n ASP 18 Ca 0.00 -0.23 -0.43 0.00 0.71 0.00 0.00 54.79 54.84 1muj n ASP 18 Cb 0.00 -3.54 -0.02 0.00 -0.02 0.00 0.00 41.12 37.54 1muj n ASP 18 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 1muj s ILE 19 N -2.91 4.32 0.13 0.53 1.01 -0.90 -4.90 121.20 118.48 1muj s ILE 19 Ca 0.29 1.49 0.08 0.00 0.00 0.00 0.00 60.65 62.51 1muj s ILE 19 Cb -0.15 -4.33 -0.04 0.00 0.01 0.00 0.00 42.46 37.96 1muj s ILE 19 CO 0.35 -0.54 -0.19 -0.83 0.00 0.00 0.00 174.94 173.74 1muj s GLY 20 N 2.22 1.28 -0.07 6.18 0.00 -1.26 -0.66 107.32 115.02 1muj s GLY 20 Ca 0.50 -1.36 -0.04 0.00 0.00 0.00 0.00 44.72 43.82 1muj s GLY 20 CO 0.20 -1.40 0.16 1.62 0.00 0.00 0.00 173.10 173.69 1muj s GLN 21 N -2.43 0.12 -0.06 2.90 0.74 0.12 -4.93 119.66 116.12 1muj s GLN 21 Ca 0.11 0.37 0.03 0.00 0.05 0.00 0.00 55.36 55.91 1muj s GLN 21 Cb -0.07 -0.12 0.01 0.00 1.10 0.00 0.00 33.01 33.92 1muj s GLN 21 CO 0.05 -0.14 -0.14 -0.47 -0.55 0.00 0.00 175.29 174.04 1muj s TYR 22 N 0.99 1.53 0.22 1.67 5.04 -1.26 -0.77 117.35 124.78 1muj s TYR 22 Ca -0.07 -0.52 -0.09 0.00 -2.44 0.00 0.00 57.07 53.95 1muj s TYR 22 Cb -0.09 -1.09 -0.02 0.00 0.35 0.00 0.00 41.96 41.11 1muj s TYR 22 CO -0.05 -0.24 0.35 0.95 -1.34 0.00 0.00 175.55 175.22 1muj s THR 23 N 0.43 0.01 -0.03 4.34 -4.23 -0.93 -1.87 115.64 113.35 1muj s THR 23 Ca -0.11 -1.58 0.03 0.00 -1.18 0.00 0.00 61.69 58.85 1muj s THR 23 Cb -0.14 -2.24 0.00 0.00 1.34 0.00 0.00 72.50 71.46 1muj s THR 23 CO 0.03 -0.04 -0.12 -0.36 -0.54 0.00 0.00 174.62 173.60 1muj s PHE 24 N -4.05 1.21 0.18 3.99 0.40 -0.67 -2.01 117.98 117.02 1muj s PHE 24 Ca 0.27 -0.33 0.08 0.00 -0.60 0.00 0.00 56.93 56.35 1muj s PHE 24 Cb 0.02 -0.85 -0.04 0.00 0.51 0.00 0.00 43.02 42.66 1muj s PHE 24 CO 0.09 -0.13 -0.17 -1.21 0.70 0.00 0.00 175.22 174.49 1muj s GLU 25 N 0.20 1.29 -0.19 0.44 2.02 -0.41 0.24 118.70 122.29 1muj s GLU 25 Ca -0.04 -1.46 -0.06 0.00 0.02 0.00 0.00 54.97 53.43 1muj s GLU 25 Cb -0.10 -1.26 0.09 0.00 0.10 0.00 0.00 34.13 32.96 1muj s GLU 25 CO 0.01 0.24 0.38 0.12 0.02 0.00 0.00 175.26 176.03 1muj s PHE 26 N -2.33 -0.72 -1.47 1.61 5.36 -0.30 -1.54 117.98 118.60 1muj s PHE 26 Ca 0.18 1.28 -0.08 0.00 -0.96 0.00 0.00 56.93 57.35 1muj s PHE 26 Cb -0.04 0.18 0.03 0.00 -0.34 0.00 0.00 43.02 42.84 1muj s PHE 26 CO 0.07 -0.50 0.81 -0.25 -1.46 0.00 0.00 175.22 173.89 1muj n ASP 27 N 5.38 -5.67 0.00 6.13 9.92 -0.51 -1.96 116.55 129.84 1muj n ASP 27 Ca -0.07 -0.45 0.00 0.00 -0.53 0.00 0.00 54.79 53.74 1muj n ASP 27 Cb 0.50 -4.54 0.00 0.00 -0.64 0.00 0.00 41.12 36.43 1muj n ASP 27 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1muj n GLY 28 N -1.64 1.22 3.81 0.44 0.00 -1.26 -5.03 105.19 102.73 1muj n GLY 28 Ca -0.04 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.75 1muj n GLY 28 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1muj s ASP 29 N -3.13 5.47 -0.23 1.61 1.01 -0.83 -5.08 116.67 115.50 1muj s ASP 29 Ca 0.00 -0.24 -0.22 0.00 0.71 0.00 0.00 52.55 52.80 1muj s ASP 29 Cb 0.00 -1.39 -0.02 0.00 1.01 0.00 0.00 42.92 42.53 1muj s ASP 29 CO 0.00 -0.01 0.71 -0.70 0.21 0.00 0.00 175.17 175.39 1muj s GLU 30 N -3.62 4.18 -0.07 8.23 2.12 -1.26 -1.15 118.70 127.13 1muj s GLU 30 Ca 0.32 0.74 -0.24 0.00 0.36 0.00 0.00 54.97 56.15 1muj s GLU 30 Cb -0.08 -3.62 -0.20 0.00 0.26 0.00 0.00 34.13 30.48 1muj s GLU 30 CO 0.24 -0.40 0.96 -0.07 -0.54 0.00 0.00 175.26 175.46 1muj h LEU 31 N 8.78 -0.06 -7.50 2.70 3.38 -0.54 -3.40 115.31 118.67 1muj h LEU 31 Ca -0.27 -0.57 0.23 0.00 0.09 0.00 0.00 57.88 57.36 1muj h LEU 31 Cb 1.12 0.02 -0.10 0.00 0.09 0.00 0.00 40.66 41.79 1muj h LEU 31 CO 0.81 0.59 0.61 0.72 0.09 0.00 0.00 178.44 181.26 1muj s PHE 32 N -3.33 -0.10 0.04 1.13 -0.12 -1.21 -1.81 117.98 112.59 1muj s PHE 32 Ca -0.15 -0.13 0.03 0.00 -0.05 0.00 0.00 56.93 56.62 1muj s PHE 32 Cb -0.00 0.61 -0.02 0.00 -0.63 0.00 0.00 43.02 42.97 1muj s PHE 32 CO 0.59 -0.63 -0.09 1.52 -0.05 0.00 0.00 175.22 176.56 1muj s TYR 33 N -2.98 0.80 -0.26 3.49 -0.85 -0.69 -1.67 117.35 115.19 1muj s TYR 33 Ca 0.13 -0.44 -0.14 0.00 -0.52 0.00 0.00 57.07 56.11 1muj s TYR 33 Cb 0.01 -0.47 -0.04 0.00 0.38 0.00 0.00 41.96 41.84 1muj s TYR 33 CO 0.00 -0.04 0.31 0.08 -1.52 0.00 0.00 175.55 174.38 1muj s VAL 34 N -1.18 5.23 -0.35 -3.49 1.01 -0.78 -0.72 120.40 120.11 1muj s VAL 34 Ca -0.06 0.45 -0.29 0.00 0.00 0.00 0.00 61.98 62.09 1muj s VAL 34 Cb -0.09 -3.64 -0.00 0.00 0.00 0.00 0.00 36.38 32.64 1muj s VAL 34 CO 0.01 0.21 1.55 -0.62 0.00 0.00 0.00 175.10 176.25 1muj s ASP 35 N 1.52 6.22 0.54 3.32 -1.08 0.14 -4.51 116.67 122.83 1muj s ASP 35 Ca 0.13 1.10 0.32 0.00 -0.52 0.00 0.00 52.55 53.58 1muj s ASP 35 Cb -0.15 -2.53 1.49 0.00 -1.46 0.00 0.00 42.92 40.26 1muj s ASP 35 CO 0.09 -1.47 2.05 -0.07 0.52 0.00 0.00 175.17 176.29 1muj h LEU 36 N 12.51 0.00 0.10 -1.34 3.38 -1.92 0.34 115.31 128.38 1muj h LEU 36 Ca -0.30 0.00 -0.29 0.00 0.09 0.00 0.00 57.88 57.38 1muj h LEU 36 Cb 1.13 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.87 1muj h LEU 36 CO 1.05 0.08 -1.51 0.44 0.09 0.00 0.00 178.44 178.60 1muj h ASP 37 N 0.00 0.31 0.46 -0.43 3.32 -1.97 -3.35 116.42 114.76 1muj h ASP 37 Ca -0.00 -0.81 0.00 0.00 0.02 0.00 0.00 57.03 56.23 1muj h ASP 37 Cb 0.41 -0.10 0.00 0.00 0.22 0.00 0.00 39.33 39.86 1muj h ASP 37 CO 0.01 1.65 -0.21 0.29 -1.72 0.00 0.00 179.24 179.25 1muj n LYS 38 N -3.92 0.47 -3.77 3.56 5.02 -1.20 -4.94 118.16 113.38 1muj n LYS 38 Ca -0.28 -0.20 -0.25 0.00 -2.02 0.00 0.00 58.31 55.56 1muj n LYS 38 Cb 0.89 -1.50 0.02 0.00 -0.02 0.00 0.00 35.03 34.42 1muj n LYS 38 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 1muj n LYS 39 N -1.09 -3.23 -4.19 1.97 4.01 0.11 -4.98 118.16 110.76 1muj n LYS 39 Ca 0.11 0.51 -0.18 0.00 -0.51 0.00 0.00 58.31 58.24 1muj n LYS 39 Cb 0.31 -4.68 -0.15 0.00 -0.51 0.00 0.00 35.03 30.00 1muj n LYS 39 CO 0.00 0.00 0.00 -2.00 -1.11 0.00 0.00 177.40 174.29 1muj s GLU 40 N -6.12 0.60 -0.32 1.97 2.12 -0.97 -4.83 118.70 111.15 1muj s GLU 40 Ca 0.15 -0.18 -0.29 0.00 0.36 0.00 0.00 54.97 55.01 1muj s GLU 40 Cb -0.05 -0.60 0.02 0.00 0.26 0.00 0.00 34.13 33.76 1muj s GLU 40 CO 0.85 0.06 1.07 0.99 -0.54 0.00 0.00 175.26 177.69 1muj s THR 41 N 0.23 4.51 -0.32 -1.70 2.01 -1.26 0.28 115.64 119.38 1muj s THR 41 Ca -0.03 1.73 -0.06 0.00 0.31 0.00 0.00 61.69 63.65 1muj s THR 41 Cb -0.07 -4.42 0.03 0.00 0.01 0.00 0.00 72.50 68.06 1muj s THR 41 CO -0.00 -0.48 0.07 -0.69 -0.69 0.00 0.00 174.62 172.83 1muj s VAL 42 N 3.65 3.66 0.06 3.82 1.01 0.10 -4.97 120.40 127.73 1muj s VAL 42 Ca 0.45 -1.06 -0.28 0.00 0.00 0.00 0.00 61.98 61.09 1muj s VAL 42 Cb -0.12 -3.02 -0.05 0.00 0.00 0.00 0.00 36.38 33.19 1muj s VAL 42 CO 0.15 -0.09 0.87 0.26 0.00 0.00 0.00 175.10 176.30 1muj s TRP 43 N 1.40 3.75 0.26 5.22 0.52 -1.26 -1.70 118.94 127.13 1muj s TRP 43 Ca -0.01 1.63 -0.01 0.00 0.02 0.00 0.00 56.10 57.73 1muj s TRP 43 Cb -0.19 -2.96 0.35 0.00 -1.15 0.00 0.00 33.47 29.53 1muj s TRP 43 CO 0.02 0.20 1.75 1.98 0.02 0.00 0.00 176.95 180.92 1muj h MET 44 N 5.81 0.72 -4.73 4.98 1.85 -1.56 -3.37 114.93 118.63 1muj h MET 44 Ca -0.43 -0.21 -0.69 0.00 -0.61 0.00 0.00 59.70 57.76 1muj h MET 44 Cb 1.21 -0.08 -0.27 0.00 0.43 0.00 0.00 31.60 32.89 1muj h MET 44 CO 0.72 0.77 -0.61 -0.51 -0.40 0.00 0.00 176.91 176.89 1muj s LEU 45 N -9.06 4.14 0.34 3.39 1.43 -1.26 -4.99 118.68 112.67 1muj s LEU 45 Ca -0.09 -0.94 0.10 0.00 -1.03 0.00 0.00 54.13 52.17 1muj s LEU 45 Cb 0.14 -1.88 0.86 0.00 0.03 0.00 0.00 46.19 45.34 1muj s LEU 45 CO 0.81 -0.27 1.79 -0.65 0.23 0.00 0.00 176.35 178.25 1muj h PRO 46 N 8.24 0.63 0.00 1.29 0.11 -1.98 -0.47 132.00 139.82 1muj h PRO 46 Ca -0.27 -0.04 -0.07 0.00 0.11 0.00 0.00 66.00 65.73 1muj h PRO 46 Cb 1.10 -0.14 -0.01 0.00 0.11 0.00 0.00 31.00 32.06 1muj h PRO 46 CO 0.61 0.41 -0.35 1.05 -0.21 0.00 0.00 178.00 179.51 1muj h GLU 47 N 0.65 0.00 -0.15 1.05 9.09 -1.95 -2.48 114.58 120.78 1muj h GLU 47 Ca 0.57 0.00 -0.14 0.00 0.05 0.00 0.00 59.36 59.84 1muj h GLU 47 Cb 1.04 0.00 -0.01 0.00 -1.65 0.00 0.00 28.75 28.13 1muj h GLU 47 CO -0.34 0.35 -0.50 0.74 0.05 0.00 0.00 179.01 179.31 1muj h PHE 48 N 0.00 0.50 0.00 2.06 -1.00 -1.49 -2.88 116.94 114.13 1muj h PHE 48 Ca -0.00 -0.16 0.00 0.00 2.81 0.00 0.00 57.97 60.61 1muj h PHE 48 Cb 0.62 -0.10 0.00 0.00 3.61 0.00 0.00 35.95 40.08 1muj h PHE 48 CO 0.00 0.83 0.00 0.78 -1.61 0.00 0.00 178.31 178.31 1muj h GLY 49 N 1.20 0.00 1.25 -1.45 0.00 -1.20 -1.54 103.07 101.33 1muj h GLY 49 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.34 1muj h GLY 49 CO 0.09 0.00 -0.49 -1.06 0.00 0.00 0.00 176.54 175.08 1muj n GLN 50 N -3.02 0.17 -0.03 4.80 3.00 -1.09 -4.09 117.38 117.12 1muj n GLN 50 Ca -0.00 0.06 0.00 0.00 -0.01 0.00 0.00 57.00 57.05 1muj n GLN 50 Cb 0.22 -1.62 -0.10 0.00 0.00 0.00 0.00 30.24 28.74 1muj n GLN 50 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.06 178.34 1muj n LEU 51 N -1.88 0.00 -4.22 1.08 4.77 -0.83 -5.02 117.00 110.90 1muj n LEU 51 Ca 0.04 0.00 -0.12 0.00 -0.03 0.00 0.00 56.01 55.90 1muj n LEU 51 Cb 0.40 0.15 -0.10 0.00 -2.33 0.00 0.00 43.42 41.54 1muj n LEU 51 CO 0.35 0.15 -0.35 0.00 -1.33 0.00 0.00 177.39 176.21 1muj s ALA 52 N -2.63 1.22 0.19 -1.18 0.00 -0.64 -5.13 121.76 113.59 1muj s ALA 52 Ca -0.06 -1.51 -0.05 0.00 0.00 0.00 0.00 51.96 50.34 1muj s ALA 52 Cb 0.06 0.45 -0.03 0.00 0.00 0.00 0.00 23.12 23.60 1muj s ALA 52 CO 0.54 -0.30 0.20 -1.54 0.00 0.00 0.00 175.76 174.66 1muj s SER 53 N -3.13 0.12 -0.18 0.00 1.04 -1.26 -4.48 113.70 105.81 1muj s SER 53 Ca 0.20 -1.17 -0.10 0.00 0.48 0.00 0.00 55.95 55.37 1muj s SER 53 Cb 0.06 0.41 0.06 0.00 0.10 0.00 0.00 66.02 66.65 1muj s SER 53 CO 0.01 -0.88 0.44 0.12 0.98 0.00 0.00 173.24 173.92 1muj s PHE 54 N -4.07 -0.67 -0.54 5.02 5.36 -1.26 -5.11 117.98 116.72 1muj s PHE 54 Ca 0.29 1.39 -0.28 0.00 -0.96 0.00 0.00 56.93 57.37 1muj s PHE 54 Cb 0.05 0.31 -0.00 0.00 -0.34 0.00 0.00 43.02 43.04 1muj s PHE 54 CO 0.07 -0.37 1.61 0.34 -1.46 0.00 0.00 175.22 175.41 1muj s ASP 55 N 1.50 5.83 0.40 6.13 -1.08 -1.26 -4.73 116.67 123.47 1muj s ASP 55 Ca -0.09 0.48 0.11 0.00 -0.52 0.00 0.00 52.55 52.52 1muj s ASP 55 Cb -0.08 -2.54 0.59 0.00 -1.46 0.00 0.00 42.92 39.43 1muj s ASP 55 CO -0.14 -1.91 1.21 1.55 0.52 0.00 0.00 175.17 176.41 1muj h PRO 56 N 12.53 0.00 -0.42 4.34 0.13 -1.95 0.11 132.00 146.74 1muj h PRO 56 Ca -0.28 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 64.83 1muj h PRO 56 Cb 1.13 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.24 1muj h PRO 56 CO 1.16 0.00 0.16 0.37 -0.23 0.00 0.00 178.00 179.47 1muj h GLN 57 N 0.00 0.64 -0.81 0.86 5.75 -1.92 -1.58 115.11 118.05 1muj h GLN 57 Ca 0.00 -0.12 0.12 0.00 -0.15 0.00 0.00 58.65 58.50 1muj h GLN 57 Cb 0.98 -0.10 -0.06 0.00 1.07 0.00 0.00 27.48 29.37 1muj h GLN 57 CO 0.00 0.60 0.53 0.78 -2.65 0.00 0.00 178.83 178.08 1muj h GLY 58 N 0.54 1.01 1.48 2.39 0.00 -1.18 0.49 103.07 107.80 1muj h GLY 58 Ca 0.14 -0.27 -0.17 0.00 0.00 0.00 0.00 47.33 47.03 1muj h GLY 58 CO -0.01 0.13 -0.58 -1.33 0.00 0.00 0.00 176.54 174.75 1muj h GLY 59 N 0.65 0.59 1.11 4.60 0.00 -1.56 -1.60 103.07 106.86 1muj h GLY 59 Ca 0.39 -0.71 -0.14 0.00 0.00 0.00 0.00 47.33 46.86 1muj h GLY 59 CO -0.15 0.64 -0.27 1.41 0.00 0.00 0.00 176.54 178.17 1muj h LEU 60 N 0.41 1.01 -0.21 3.11 3.38 0.13 -2.18 115.31 120.95 1muj h LEU 60 Ca 0.00 -0.42 -0.01 0.00 0.09 0.00 0.00 57.88 57.55 1muj h LEU 60 Cb 1.13 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 41.59 1muj h LEU 60 CO 0.11 1.21 0.11 -0.61 0.09 0.00 0.00 178.44 179.35 1muj h GLN 61 N 0.82 0.30 -0.53 1.13 4.15 -0.05 -1.82 115.11 119.12 1muj h GLN 61 Ca 0.09 -0.04 0.10 0.00 0.77 0.00 0.00 58.65 59.58 1muj h GLN 61 Cb 0.86 -0.06 -0.09 0.00 0.21 0.00 0.00 27.48 28.40 1muj h GLN 61 CO 0.08 0.30 0.02 -0.91 -1.93 0.00 0.00 178.83 176.39 1muj h ASN 62 N 0.23 -0.19 0.44 -0.69 2.35 -1.15 0.10 115.58 116.67 1muj h ASN 62 Ca 0.07 0.12 -0.06 0.00 -0.55 0.00 0.00 56.30 55.89 1muj h ASN 62 Cb 0.09 0.21 -0.01 0.00 0.05 0.00 0.00 38.32 38.66 1muj h ASN 62 CO -0.01 -0.06 -0.27 0.40 -1.65 0.00 0.00 177.43 175.83 1muj h ILE 63 N 0.14 0.97 0.40 2.81 1.08 -1.22 -0.68 117.51 121.00 1muj h ILE 63 Ca 0.27 -1.02 -0.02 0.00 -0.39 0.00 0.00 64.86 63.70 1muj h ILE 63 Cb 0.41 1.59 0.00 0.00 -3.07 0.00 0.00 36.82 35.75 1muj h ILE 63 CO -0.43 0.27 -0.19 0.00 -0.69 0.00 0.00 178.15 177.11 1muj h ALA 64 N 1.73 -0.54 0.41 1.87 0.00 0.04 -0.72 119.26 122.05 1muj h ALA 64 Ca -0.00 -0.17 -0.02 0.00 0.00 0.00 0.00 54.91 54.72 1muj h ALA 64 Cb 0.56 0.21 0.00 0.00 0.00 0.00 0.00 17.79 18.57 1muj h ALA 64 CO 0.04 -0.70 -0.20 0.28 0.00 0.00 0.00 179.25 178.67 1muj h VAL 65 N -0.75 0.60 -0.95 0.00 2.07 -1.05 -2.20 116.25 113.96 1muj h VAL 65 Ca -0.06 -0.04 0.19 0.00 0.82 0.00 0.00 66.70 67.62 1muj h VAL 65 Cb 0.52 0.62 -0.08 0.00 -1.52 0.00 0.00 31.29 30.83 1muj h VAL 65 CO 0.09 0.01 0.61 0.58 0.02 0.00 0.00 177.57 178.88 1muj h VAL 66 N -0.57 0.71 -0.38 2.57 2.07 -1.15 0.15 116.25 119.65 1muj h VAL 66 Ca -0.06 -0.21 -0.13 0.00 0.82 0.00 0.00 66.70 67.13 1muj h VAL 66 Cb 0.43 0.06 -0.01 0.00 -1.52 0.00 0.00 31.29 30.25 1muj h VAL 66 CO 0.09 0.11 -0.28 0.50 0.02 0.00 0.00 177.57 178.01 1muj h LYS 67 N 0.60 0.80 0.67 1.57 3.64 -0.84 -1.96 116.57 121.05 1muj h LYS 67 Ca 0.52 -0.36 -0.03 0.00 -1.27 0.00 0.00 60.65 59.51 1muj h LYS 67 Cb 1.01 -0.02 0.01 0.00 -0.41 0.00 0.00 32.23 32.82 1muj h LYS 67 CO -0.27 0.98 -0.32 1.25 -2.27 0.00 0.00 179.45 178.83 1muj h HIS 68 N 0.69 -0.83 -0.71 1.91 2.76 -0.19 -2.15 115.15 116.63 1muj h HIS 68 Ca 0.08 -0.02 0.15 0.00 -2.20 0.00 0.00 60.37 58.38 1muj h HIS 68 Cb 0.81 0.27 -0.13 0.00 1.55 0.00 0.00 27.41 29.92 1muj h HIS 68 CO 0.04 -0.48 -0.13 -0.91 -1.30 0.00 0.00 177.93 175.15 1muj h ASN 69 N -1.13 -0.57 -0.17 3.26 4.21 -0.93 0.12 115.58 120.37 1muj h ASN 69 Ca -0.09 0.20 0.04 0.00 1.21 0.00 0.00 56.30 57.66 1muj h ASN 69 Cb 0.72 0.41 -0.04 0.00 -1.12 0.00 0.00 38.32 38.29 1muj h ASN 69 CO 0.15 -0.22 -0.08 0.25 -1.29 0.00 0.00 177.43 176.24 1muj h LEU 70 N 0.02 -0.26 -1.10 1.61 5.85 -1.31 0.72 115.31 120.84 1muj h LEU 70 Ca 0.35 0.07 0.17 0.00 0.84 0.00 0.00 57.88 59.31 1muj h LEU 70 Cb 0.56 0.15 -0.09 0.00 0.37 0.00 0.00 40.66 41.64 1muj h LEU 70 CO -0.70 -0.11 0.61 1.23 -0.34 0.00 0.00 178.44 179.14 1muj h GLY 71 N -0.06 1.59 0.69 3.75 0.00 -0.14 0.35 103.07 109.25 1muj h GLY 71 Ca 0.09 -0.35 -0.02 0.00 0.00 0.00 0.00 47.33 47.05 1muj h GLY 71 CO -0.21 0.00 -0.21 -2.08 0.00 0.00 0.00 176.54 174.04 1muj h VAL 72 N 0.76 0.45 -0.88 4.60 2.07 0.27 -3.12 116.25 120.40 1muj h VAL 72 Ca 0.54 -0.47 0.05 0.00 0.82 0.00 0.00 66.70 67.64 1muj h VAL 72 Cb 0.84 0.63 -0.06 0.00 -1.52 0.00 0.00 31.29 31.18 1muj h VAL 72 CO -0.32 0.07 0.56 -0.07 0.02 0.00 0.00 177.57 177.83 1muj h LEU 73 N -0.92 0.89 -2.73 2.57 3.38 -0.08 0.51 115.31 118.93 1muj h LEU 73 Ca -0.06 0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.92 1muj h LEU 73 Cb 0.57 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 41.14 1muj h LEU 73 CO 0.10 0.59 0.00 0.00 0.09 0.00 0.00 178.44 179.22 1muj h THR 74 N 1.04 0.00 0.00 0.22 1.03 -0.39 -1.36 112.91 113.45 1muj h THR 74 Ca 0.37 -0.04 -0.23 0.00 -0.01 0.00 0.00 66.41 66.50 1muj h THR 74 Cb 0.12 1.00 -0.04 0.00 -1.07 0.00 0.00 68.15 68.15 1muj h THR 74 CO -0.15 0.00 -1.93 0.29 -0.01 0.00 0.00 175.52 173.72 1muj n LYS 75 N -3.01 1.59 0.02 0.00 5.02 -0.30 -4.46 118.16 117.02 1muj n LYS 75 Ca -0.03 -0.02 0.14 0.00 -2.02 0.00 0.00 58.31 56.38 1muj n LYS 75 Cb 0.09 -1.36 0.57 0.00 -0.02 0.00 0.00 35.03 34.31 1muj n LYS 75 CO 0.00 0.00 0.00 -2.13 -0.52 0.00 0.00 177.40 174.75 1muj n ARG 76 N -2.46 0.06 -4.38 1.97 0.63 0.16 -4.87 116.66 107.76 1muj n ARG 76 Ca -0.21 0.05 -0.19 0.00 -0.92 0.00 0.00 57.85 56.58 1muj n ARG 76 Cb 0.89 -1.57 -0.10 0.00 0.45 0.00 0.00 32.46 32.13 1muj n ARG 76 CO 0.00 0.00 0.00 -1.54 -2.51 0.00 0.00 177.63 173.58 1muj s SER 77 N -3.33 2.26 -0.10 6.15 1.04 -0.56 -5.01 113.70 114.16 1muj s SER 77 Ca 0.13 -1.23 0.13 0.00 0.48 0.00 0.00 55.95 55.47 1muj s SER 77 Cb 0.17 -0.07 0.27 0.00 0.10 0.00 0.00 66.02 66.49 1muj s SER 77 CO 0.54 -0.46 1.18 -0.46 0.98 0.00 0.00 173.24 175.02 1muj n ASN 78 N -0.51 2.64 -4.66 7.02 6.94 -1.26 -4.86 115.26 120.58 1muj n ASN 78 Ca -0.05 -2.71 -0.45 0.00 -0.02 0.00 0.00 54.58 51.36 1muj n ASN 78 Cb 0.64 -0.33 -0.02 0.00 -2.36 0.00 0.00 39.78 37.70 1muj n ASN 78 CO 0.00 0.00 0.00 -1.20 -1.03 0.00 0.00 177.26 175.03 1muj n SER 79 N -0.83 2.42 -4.75 0.53 7.64 -1.26 -4.95 113.62 112.41 1muj n SER 79 Ca 0.13 1.16 -0.40 0.00 1.01 0.00 0.00 58.87 60.77 1muj n SER 79 Cb 0.58 -1.40 -0.06 0.00 -1.01 0.00 0.00 64.21 62.33 1muj n SER 79 CO 0.00 0.00 0.00 0.28 -3.01 0.00 0.00 175.04 172.31 1muj s THR 80 N -0.40 4.30 0.18 0.44 -1.32 -1.26 -5.00 115.64 112.59 1muj s THR 80 Ca 0.65 1.95 -0.33 0.00 -1.21 0.00 0.00 61.69 62.75 1muj s THR 80 Cb -0.66 -4.26 -0.14 0.00 -1.51 0.00 0.00 72.50 65.93 1muj s THR 80 CO 0.54 0.45 1.57 -2.65 -2.21 0.00 0.00 174.62 172.32 1muj n PRO 81 N 1.93 2.21 -1.68 7.08 -0.02 -1.26 -4.93 135.00 138.33 1muj n PRO 81 Ca -0.02 0.79 -0.37 0.00 -2.02 0.00 0.00 63.50 61.89 1muj n PRO 81 Cb 0.48 -2.56 0.07 0.00 -0.02 0.00 0.00 33.50 31.48 1muj n PRO 81 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1muj n ALA 82 N 3.23 0.99 -1.77 3.55 0.00 -1.26 -4.95 120.51 120.30 1muj n ALA 82 Ca 0.16 -0.02 -0.39 0.00 0.00 0.00 0.00 53.44 53.19 1muj n ALA 82 Cb 0.30 -2.30 -0.00 0.00 0.00 0.00 0.00 19.45 17.44 1muj n ALA 82 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 1muj s THR 83 N -1.44 2.62 -0.29 0.00 2.01 -1.26 -4.95 115.64 112.33 1muj s THR 83 Ca 0.82 0.55 -0.29 0.00 0.31 0.00 0.00 61.69 63.08 1muj s THR 83 Cb -0.38 -3.32 -0.01 0.00 0.01 0.00 0.00 72.50 68.80 1muj s THR 83 CO 0.41 0.08 1.54 0.20 -0.69 0.00 0.00 174.62 176.15 1muj s ASN 84 N -0.76 6.35 0.52 3.53 0.01 -1.26 -4.71 114.94 118.62 1muj s ASN 84 Ca 0.57 1.32 -0.17 0.00 -0.71 0.00 0.00 52.86 53.87 1muj s ASN 84 Cb -0.38 -2.53 -0.07 0.00 0.41 0.00 0.00 41.25 38.67 1muj s ASN 84 CO 0.48 -1.33 0.99 -1.61 -1.51 0.00 0.00 177.10 174.13 1muj s GLU 85 N 4.78 3.88 -0.22 -0.60 0.41 -0.01 -4.60 118.70 122.34 1muj s GLU 85 Ca 0.67 1.00 -0.18 0.00 -0.41 0.00 0.00 54.97 56.05 1muj s GLU 85 Cb -0.20 -2.12 -0.03 0.00 -1.78 0.00 0.00 34.13 29.99 1muj s GLU 85 CO 0.29 -0.33 0.48 0.00 -0.49 0.00 0.00 175.26 175.22 1muj s ALA 86 N -2.58 3.56 0.69 5.21 0.00 -1.26 -4.06 121.76 123.31 1muj s ALA 86 Ca 0.60 -0.50 -0.14 0.00 0.00 0.00 0.00 51.96 51.92 1muj s ALA 86 Cb -0.11 -2.78 0.02 0.00 0.00 0.00 0.00 23.12 20.25 1muj s ALA 86 CO 0.31 -0.49 1.12 -2.14 0.00 0.00 0.00 175.76 174.56 1muj s PRO 87 N 1.73 2.61 -0.08 0.00 0.02 -1.23 -4.82 135.00 133.23 1muj s PRO 87 Ca 0.22 1.40 0.02 0.00 0.02 0.00 0.00 61.00 62.66 1muj s PRO 87 Cb -0.15 -1.93 0.01 0.00 0.02 0.00 0.00 34.50 32.45 1muj s PRO 87 CO 0.09 -1.40 -0.14 -0.65 -0.33 0.00 0.00 177.00 174.57 1muj s GLN 88 N -4.21 1.96 0.07 5.54 -0.21 -0.24 -4.97 119.66 117.62 1muj s GLN 88 Ca 0.67 -0.49 0.07 0.00 0.02 0.00 0.00 55.36 55.63 1muj s GLN 88 Cb -0.21 -1.62 -0.04 0.00 1.00 0.00 0.00 33.01 32.14 1muj s GLN 88 CO 0.44 0.01 -0.16 0.00 -2.12 0.00 0.00 175.29 173.47 1muj s ALA 89 N 0.75 2.73 -0.01 6.09 0.00 -1.26 -0.28 121.76 129.77 1muj s ALA 89 Ca -0.12 -1.24 0.01 0.00 0.00 0.00 0.00 51.96 50.61 1muj s ALA 89 Cb -0.16 -0.77 0.00 0.00 0.00 0.00 0.00 23.12 22.19 1muj s ALA 89 CO 0.03 0.60 -0.04 0.99 0.00 0.00 0.00 175.76 177.33 1muj s THR 90 N -1.05 0.36 -0.09 0.00 2.01 -0.02 -4.99 115.64 111.86 1muj s THR 90 Ca 0.17 -0.15 0.04 0.00 0.31 0.00 0.00 61.69 62.06 1muj s THR 90 Cb -0.11 -0.34 -0.01 0.00 0.01 0.00 0.00 72.50 72.05 1muj s THR 90 CO 0.09 0.13 -0.22 -0.69 -0.69 0.00 0.00 174.62 173.24 1muj s VAL 91 N 0.20 2.31 0.04 3.82 1.01 -1.26 -0.54 120.40 125.98 1muj s VAL 91 Ca -0.02 -0.95 -0.21 0.00 0.00 0.00 0.00 61.98 60.80 1muj s VAL 91 Cb -0.05 -1.89 0.05 0.00 0.00 0.00 0.00 36.38 34.49 1muj s VAL 91 CO -0.00 0.56 0.48 0.72 0.00 0.00 0.00 175.10 176.85 1muj s PHE 92 N 0.08 -0.36 0.22 5.22 -0.71 -0.77 -4.98 117.98 116.67 1muj s PHE 92 Ca -0.10 0.40 -0.24 0.00 -1.04 0.00 0.00 56.93 55.96 1muj s PHE 92 Cb -0.15 0.29 -0.09 0.00 -1.21 0.00 0.00 43.02 41.86 1muj s PHE 92 CO 0.06 -0.60 0.80 -1.25 -1.34 0.00 0.00 175.22 172.89 1muj s PRO 93 N -2.34 4.48 0.19 1.99 0.04 -1.26 -0.37 135.00 137.73 1muj s PRO 93 Ca -0.06 1.11 -0.10 0.00 0.04 0.00 0.00 61.00 62.00 1muj s PRO 93 Cb -0.01 -3.03 0.11 0.00 0.04 0.00 0.00 34.50 31.61 1muj s PRO 93 CO -0.01 0.45 1.74 -0.22 0.04 0.00 0.00 177.00 179.00 1muj h LYS 94 N 3.76 1.05 -5.85 4.56 3.64 -1.31 -3.45 116.57 118.97 1muj h LYS 94 Ca -0.47 -0.20 -0.59 0.00 -1.27 0.00 0.00 60.65 58.12 1muj h LYS 94 Cb 1.20 -0.16 -0.14 0.00 -0.41 0.00 0.00 32.23 32.72 1muj h LYS 94 CO 0.66 0.88 -0.68 -1.12 -2.27 0.00 0.00 179.45 176.91 1muj s SER 95 N -6.25 3.49 0.18 4.20 0.01 -1.26 -5.04 113.70 109.02 1muj s SER 95 Ca -0.13 -1.18 -0.32 0.00 1.31 0.00 0.00 55.95 55.63 1muj s SER 95 Cb 0.14 -0.30 -0.12 0.00 0.21 0.00 0.00 66.02 65.96 1muj s SER 95 CO 0.82 -0.22 1.77 -2.65 0.41 0.00 0.00 173.24 173.37 1muj n PRO 96 N -0.73 2.81 -1.92 12.44 -0.02 -1.26 -4.89 135.00 141.43 1muj n PRO 96 Ca -0.05 1.02 -0.41 0.00 -2.02 0.00 0.00 63.50 62.03 1muj n PRO 96 Cb 0.63 -2.88 -0.01 0.00 -0.02 0.00 0.00 33.50 31.22 1muj n PRO 96 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1muj s VAL 97 N 1.73 2.34 -0.15 -1.45 1.01 -1.26 -5.00 120.40 117.62 1muj s VAL 97 Ca 0.77 0.32 -0.04 0.00 0.00 0.00 0.00 61.98 63.03 1muj s VAL 97 Cb -0.49 -3.20 0.07 0.00 0.00 0.00 0.00 36.38 32.76 1muj s VAL 97 CO 0.34 0.07 0.22 -0.76 0.00 0.00 0.00 175.10 174.96 1muj s LEU 98 N -1.36 -0.16 -0.01 3.92 1.43 -1.26 -5.12 118.68 116.13 1muj s LEU 98 Ca 0.55 0.16 -0.38 0.00 -1.03 0.00 0.00 54.13 53.44 1muj s LEU 98 Cb -0.44 0.45 -0.16 0.00 0.03 0.00 0.00 46.19 46.06 1muj s LEU 98 CO 0.54 -0.28 1.45 0.18 0.23 0.00 0.00 176.35 178.46 1muj n LEU 99 N 5.33 1.84 0.00 1.79 7.99 -1.26 -1.10 117.00 131.59 1muj n LEU 99 Ca -0.05 1.11 0.00 0.00 -0.01 0.00 0.00 56.01 57.05 1muj n LEU 99 Cb 0.50 -1.18 0.00 0.00 -0.11 0.00 0.00 43.42 42.63 1muj n LEU 99 CO 0.06 -0.88 0.00 0.61 -1.51 0.00 0.00 177.39 175.66 1muj n GLY 100 N 2.96 0.99 3.67 -0.72 0.00 -0.12 -4.96 105.19 107.01 1muj n GLY 100 Ca 0.20 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.87 1muj n GLY 100 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1muj s GLN 101 N -0.12 4.08 0.24 1.61 -1.52 -0.26 -4.88 119.66 118.81 1muj s GLN 101 Ca 0.00 -0.27 -0.30 0.00 -1.95 0.00 0.00 55.36 52.84 1muj s GLN 101 Cb 0.00 -3.47 -0.14 0.00 -0.22 0.00 0.00 33.01 29.17 1muj s GLN 101 CO 0.00 0.13 1.14 -2.30 -0.25 0.00 0.00 175.29 174.02 1muj n PRO 102 N 4.04 1.43 -2.00 2.91 -0.02 -1.26 -4.10 135.00 136.00 1muj n PRO 102 Ca -0.15 0.50 -0.02 0.00 -2.02 0.00 0.00 63.50 61.81 1muj n PRO 102 Cb 0.52 -1.98 -0.01 0.00 -0.02 0.00 0.00 33.50 32.02 1muj n PRO 102 CO 0.00 0.00 0.00 -1.71 1.98 0.00 0.00 175.50 175.77 1muj n ASN 103 N 1.64 -0.18 -3.71 2.55 2.85 0.12 -5.00 115.26 113.53 1muj n ASN 103 Ca 0.12 -1.28 -0.21 0.00 -0.11 0.00 0.00 54.58 53.09 1muj n ASN 103 Cb 0.29 0.35 -0.18 0.00 1.24 0.00 0.00 39.78 41.48 1muj n ASN 103 CO 0.00 0.00 0.00 -0.89 -2.11 0.00 0.00 177.26 174.26 1muj s THR 104 N -2.43 0.06 -0.02 -0.44 2.01 -1.26 -1.14 115.64 112.41 1muj s THR 104 Ca 0.05 0.31 -0.23 0.00 0.31 0.00 0.00 61.69 62.12 1muj s THR 104 Cb -0.00 -0.28 -0.05 0.00 0.01 0.00 0.00 72.50 72.18 1muj s THR 104 CO 0.03 0.20 0.70 -0.76 -0.69 0.00 0.00 174.62 174.10 1muj s LEU 105 N 2.04 4.38 -0.16 4.42 1.43 0.26 -0.77 118.68 130.27 1muj s LEU 105 Ca 0.04 1.26 -0.02 0.00 -1.03 0.00 0.00 54.13 54.38 1muj s LEU 105 Cb -0.12 -3.09 -0.02 0.00 0.03 0.00 0.00 46.19 42.99 1muj s LEU 105 CO -0.04 -0.03 -0.07 -0.63 0.23 0.00 0.00 176.35 175.81 1muj s ILE 106 N 0.34 3.44 -0.40 -0.59 1.01 0.51 -0.69 121.20 124.82 1muj s ILE 106 Ca 0.36 -0.51 -0.07 0.00 0.00 0.00 0.00 60.65 60.44 1muj s ILE 106 Cb -0.19 -2.50 0.08 0.00 0.01 0.00 0.00 42.46 39.87 1muj s ILE 106 CO 0.19 0.49 0.22 0.00 0.00 0.00 0.00 174.94 175.84 1muj s PHE 108 N 1.34 3.25 -0.22 0.00 5.36 0.30 -1.41 117.98 126.60 1muj s PHE 108 Ca 0.03 0.58 -0.01 0.00 -0.96 0.00 0.00 56.93 56.57 1muj s PHE 108 Cb -0.23 -2.80 0.02 0.00 -0.34 0.00 0.00 43.02 39.67 1muj s PHE 108 CO 0.00 -0.35 -0.11 0.08 -1.46 0.00 0.00 175.22 173.38 1muj s VAL 109 N 2.39 2.66 0.50 3.12 1.01 -0.32 -0.84 120.40 128.92 1muj s VAL 109 Ca 0.22 -0.92 0.05 0.00 0.00 0.00 0.00 61.98 61.33 1muj s VAL 109 Cb -0.15 -2.26 0.00 0.00 0.00 0.00 0.00 36.38 33.96 1muj s VAL 109 CO 0.10 0.34 0.26 -0.62 0.00 0.00 0.00 175.10 175.19 1muj s ASP 110 N 1.33 4.50 -1.29 3.32 -1.08 0.62 -1.29 116.67 122.78 1muj s ASP 110 Ca 0.02 -1.26 -0.05 0.00 -0.52 0.00 0.00 52.55 50.75 1muj s ASP 110 Cb -0.15 0.16 -0.00 0.00 -1.46 0.00 0.00 42.92 41.46 1muj s ASP 110 CO -0.07 -0.89 0.63 -3.20 0.52 0.00 0.00 175.17 172.16 1muj n ASN 111 N -1.52 -1.97 -4.64 -0.34 5.15 -1.14 -1.08 115.26 109.72 1muj n ASN 111 Ca -0.05 -0.92 -0.38 0.00 -0.60 0.00 0.00 54.58 52.63 1muj n ASN 111 Cb 0.65 -3.62 -0.09 0.00 -0.53 0.00 0.00 39.78 36.19 1muj n ASN 111 CO 0.00 0.00 0.00 -0.63 1.40 0.00 0.00 177.26 178.03 1muj s ILE 112 N -3.71 5.25 -0.29 -1.44 1.01 0.16 -3.55 121.20 118.63 1muj s ILE 112 Ca 0.12 0.44 -0.15 0.00 0.00 0.00 0.00 60.65 61.06 1muj s ILE 112 Cb -0.04 -3.63 0.15 0.00 0.01 0.00 0.00 42.46 38.95 1muj s ILE 112 CO 0.85 0.25 0.94 0.12 0.00 0.00 0.00 174.94 177.09 1muj s PHE 113 N 1.53 -0.70 0.81 3.97 5.36 -1.26 -0.05 117.98 127.64 1muj s PHE 113 Ca 0.13 1.31 -0.11 0.00 -0.96 0.00 0.00 56.93 57.29 1muj s PHE 113 Cb -0.15 0.42 0.08 0.00 -0.34 0.00 0.00 43.02 43.03 1muj s PHE 113 CO 0.08 -0.35 1.09 -1.25 -1.46 0.00 0.00 175.22 173.33 1muj s PRO 114 N 1.88 2.00 -0.95 10.12 0.04 -1.26 -0.83 135.00 145.99 1muj s PRO 114 Ca -0.07 0.78 -0.21 0.00 0.04 0.00 0.00 61.00 61.54 1muj s PRO 114 Cb -0.05 -1.90 -0.11 0.00 0.04 0.00 0.00 34.50 32.48 1muj s PRO 114 CO -0.16 -1.71 1.95 -0.35 0.04 0.00 0.00 177.00 176.76 1muj n PRO 115 N -3.52 1.73 -3.62 0.56 -0.04 -1.26 -4.72 135.00 124.14 1muj n PRO 115 Ca 0.07 -2.12 -0.15 0.00 -0.04 0.00 0.00 63.50 61.26 1muj n PRO 115 Cb 0.55 -3.16 -0.14 0.00 -0.04 0.00 0.00 33.50 30.72 1muj n PRO 115 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 1muj s VAL 116 N 6.11 -0.37 0.09 0.52 1.01 -1.26 -5.11 120.40 121.40 1muj s VAL 116 Ca 0.59 0.20 -0.25 0.00 0.00 0.00 0.00 61.98 62.51 1muj s VAL 116 Cb 0.11 -0.47 0.08 0.00 0.00 0.00 0.00 36.38 36.09 1muj s VAL 116 CO 0.10 0.04 0.71 -0.51 0.00 0.00 0.00 175.10 175.45 1muj s ILE 117 N 2.37 0.00 -0.20 2.22 2.07 -1.26 -4.65 121.20 121.75 1muj s ILE 117 Ca 0.03 0.00 0.01 0.00 -1.41 0.00 0.00 60.65 59.29 1muj s ILE 117 Cb -0.13 -1.00 0.04 0.00 0.13 0.00 0.00 42.46 41.50 1muj s ILE 117 CO -0.09 0.00 -0.13 0.20 -1.91 0.00 0.00 174.94 173.01 1muj s ASN 118 N -2.59 3.47 -0.24 4.50 0.01 -0.73 -5.00 114.94 114.37 1muj s ASN 118 Ca 0.02 -0.89 -0.01 0.00 -0.71 0.00 0.00 52.86 51.26 1muj s ASN 118 Cb -0.01 -1.34 0.02 0.00 0.41 0.00 0.00 41.25 40.33 1muj s ASN 118 CO -0.11 -0.11 -0.08 -0.63 -1.51 0.00 0.00 177.10 174.66 1muj s ILE 119 N 1.33 2.81 0.18 0.60 1.01 -1.26 -0.95 121.20 124.92 1muj s ILE 119 Ca -0.01 -0.97 0.05 0.00 0.00 0.00 0.00 60.65 59.72 1muj s ILE 119 Cb -0.16 -2.39 -0.05 0.00 0.01 0.00 0.00 42.46 39.88 1muj s ILE 119 CO -0.09 0.26 -0.10 0.42 0.00 0.00 0.00 174.94 175.43 1muj s THR 120 N 1.33 1.35 0.06 2.92 -4.23 -0.08 -4.96 115.64 112.03 1muj s THR 120 Ca 0.01 -2.11 0.05 0.00 -1.18 0.00 0.00 61.69 58.47 1muj s THR 120 Cb -0.16 -2.00 -0.04 0.00 1.34 0.00 0.00 72.50 71.64 1muj s THR 120 CO -0.05 -0.62 -0.08 0.26 -0.54 0.00 0.00 174.62 173.58 1muj s TRP 121 N -3.22 2.81 -0.06 3.99 0.52 -1.26 0.81 118.94 122.54 1muj s TRP 121 Ca 0.21 -0.10 0.00 0.00 0.02 0.00 0.00 56.10 56.23 1muj s TRP 121 Cb 0.02 -1.51 0.02 0.00 -1.15 0.00 0.00 33.47 30.85 1muj s TRP 121 CO 0.04 0.40 -0.04 -0.51 0.02 0.00 0.00 176.95 176.86 1muj s LEU 122 N -1.90 1.15 -0.32 2.99 1.43 0.56 -1.29 118.68 121.31 1muj s LEU 122 Ca 0.20 -0.14 -0.05 0.00 -1.03 0.00 0.00 54.13 53.12 1muj s LEU 122 Cb -0.11 -0.49 0.04 0.00 0.03 0.00 0.00 46.19 45.66 1muj s LEU 122 CO 0.12 -0.09 0.06 -0.60 0.23 0.00 0.00 176.35 176.07 1muj s ARG 123 N 1.22 2.62 -1.11 1.70 3.52 -0.42 -0.19 118.95 126.29 1muj s ARG 123 Ca -0.06 -1.16 -0.03 0.00 -0.13 0.00 0.00 55.73 54.35 1muj s ARG 123 Cb -0.14 -3.33 -0.03 0.00 -1.56 0.00 0.00 34.95 29.89 1muj s ARG 123 CO -0.02 -0.61 0.95 0.09 -0.81 0.00 0.00 175.30 174.90 1muj n ASN 124 N 4.75 -4.11 -3.95 -2.12 3.02 0.46 -3.08 115.26 110.23 1muj n ASN 124 Ca -0.13 -0.65 -0.29 0.00 -0.03 0.00 0.00 54.58 53.48 1muj n ASN 124 Cb 0.45 -5.09 0.00 0.00 -0.61 0.00 0.00 39.78 34.53 1muj n ASN 124 CO 0.00 0.00 0.00 -1.20 -2.62 0.00 0.00 177.26 173.44 1muj n SER 125 N -3.14 -2.61 -3.70 6.41 7.64 -1.26 -4.97 113.62 111.99 1muj n SER 125 Ca -0.19 -0.90 -0.12 0.00 1.01 0.00 0.00 58.87 58.68 1muj n SER 125 Cb 0.64 -3.47 -0.12 0.00 -1.01 0.00 0.00 64.21 60.26 1muj n SER 125 CO 0.00 0.00 0.00 -0.75 -3.01 0.00 0.00 175.04 171.28 1muj s LYS 126 N -6.54 0.26 0.03 1.43 2.20 -1.18 -5.10 119.74 110.83 1muj s LYS 126 Ca 0.38 0.70 -0.34 0.00 -0.36 0.00 0.00 55.97 56.35 1muj s LYS 126 Cb -0.20 -0.03 -0.13 0.00 -1.51 0.00 0.00 37.83 35.96 1muj s LYS 126 CO 0.86 -0.20 1.74 0.45 -0.36 0.00 0.00 175.35 177.84 1muj n SER 127 N 4.59 3.26 -4.64 1.43 2.88 -1.26 -1.30 113.62 118.58 1muj n SER 127 Ca -0.19 1.02 -0.39 0.00 -1.33 0.00 0.00 58.87 57.99 1muj n SER 127 Cb 0.53 -1.39 -0.08 0.00 -0.75 0.00 0.00 64.21 62.51 1muj n SER 127 CO 0.00 0.00 0.00 -0.69 -1.23 0.00 0.00 175.04 173.12 1muj s VAL 128 N 2.59 5.19 -0.22 2.46 1.01 -0.41 -4.89 120.40 126.14 1muj s VAL 128 Ca 0.86 0.63 0.02 0.00 0.00 0.00 0.00 61.98 63.49 1muj s VAL 128 Cb -0.69 -3.71 -0.20 0.00 0.00 0.00 0.00 36.38 31.78 1muj s VAL 128 CO 0.45 0.21 -0.04 0.00 0.00 0.00 0.00 175.10 175.72 1muj n ALA 129 N 4.87 1.32 -2.34 5.51 0.00 -1.26 -4.60 120.51 124.00 1muj n ALA 129 Ca -0.08 -1.00 -0.29 0.00 0.00 0.00 0.00 53.44 52.07 1muj n ALA 129 Cb 0.51 -0.26 -0.02 0.00 0.00 0.00 0.00 19.45 19.67 1muj n ALA 129 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1muj s ASP 130 N -6.54 6.44 -1.27 0.00 1.01 -1.26 -4.33 116.67 110.71 1muj s ASP 130 Ca -0.29 0.91 -0.04 0.00 0.71 0.00 0.00 52.55 53.85 1muj s ASP 130 Cb 0.08 -2.23 0.00 0.00 1.01 0.00 0.00 42.92 41.78 1muj s ASP 130 CO 0.67 -0.36 0.48 0.61 0.21 0.00 0.00 175.17 176.78 1muj n GLY 131 N -1.37 -0.29 3.16 0.21 0.00 -1.26 -4.79 105.19 100.84 1muj n GLY 131 Ca 0.00 -0.05 -0.30 0.00 0.00 0.00 0.00 46.02 45.68 1muj n GLY 131 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1muj s VAL 132 N -3.05 1.77 0.04 1.61 1.01 -1.26 -0.30 120.40 120.22 1muj s VAL 132 Ca 0.24 -0.85 0.04 0.00 0.00 0.00 0.00 61.98 61.40 1muj s VAL 132 Cb -0.10 -1.54 -0.02 0.00 0.00 0.00 0.00 36.38 34.71 1muj s VAL 132 CO 0.29 0.50 -0.12 -0.47 0.00 0.00 0.00 175.10 175.29 1muj s TYR 133 N 0.41 1.07 0.05 5.22 5.04 -0.13 -4.95 117.35 124.06 1muj s TYR 133 Ca -0.17 -0.37 0.06 0.00 -2.44 0.00 0.00 57.07 54.16 1muj s TYR 133 Cb -0.17 -0.63 -0.03 0.00 0.35 0.00 0.00 41.96 41.48 1muj s TYR 133 CO 0.07 0.01 -0.17 -2.00 -1.34 0.00 0.00 175.55 172.13 1muj s GLU 134 N -1.19 1.07 0.59 4.97 2.12 -1.26 0.80 118.70 125.80 1muj s GLU 134 Ca -0.01 -0.89 0.04 0.00 0.36 0.00 0.00 54.97 54.48 1muj s GLU 134 Cb -0.08 -1.15 0.08 0.00 0.26 0.00 0.00 34.13 33.24 1muj s GLU 134 CO 0.01 0.28 0.82 0.95 -0.54 0.00 0.00 175.26 176.78 1muj s THR 135 N -0.93 2.40 0.94 -1.70 -4.23 -0.41 -5.02 115.64 106.70 1muj s THR 135 Ca 0.03 -0.80 -0.15 0.00 -1.18 0.00 0.00 61.69 59.59 1muj s THR 135 Cb -0.09 -2.60 0.18 0.00 1.34 0.00 0.00 72.50 71.33 1muj s THR 135 CO 0.02 0.00 1.27 -0.44 -0.54 0.00 0.00 174.62 174.93 1muj s SER 136 N -4.58 3.29 -0.27 3.99 0.01 -1.26 -4.70 113.70 110.17 1muj s SER 136 Ca 0.61 0.43 -0.29 0.00 1.31 0.00 0.00 55.95 58.01 1muj s SER 136 Cb -0.07 -0.60 0.00 0.00 0.21 0.00 0.00 66.02 65.56 1muj s SER 136 CO 0.40 -2.64 1.19 -0.36 0.41 0.00 0.00 173.24 172.23 1muj s PHE 137 N -3.74 2.95 0.20 2.43 0.08 -1.26 -4.63 117.98 114.01 1muj s PHE 137 Ca 0.71 1.07 -0.20 0.00 0.12 0.00 0.00 56.93 58.63 1muj s PHE 137 Cb -0.06 -3.68 -0.08 0.00 -0.57 0.00 0.00 43.02 38.63 1muj s PHE 137 CO 0.52 -1.26 0.71 -0.06 -0.10 0.00 0.00 175.22 175.04 1muj s PHE 138 N 3.82 3.68 0.48 0.36 0.40 0.67 -4.90 117.98 122.49 1muj s PHE 138 Ca 0.51 1.39 -0.17 0.00 -0.60 0.00 0.00 56.93 58.06 1muj s PHE 138 Cb -0.16 -2.62 -0.08 0.00 0.51 0.00 0.00 43.02 40.67 1muj s PHE 138 CO 0.17 0.37 0.95 0.14 0.70 0.00 0.00 175.22 177.55 1muj s VAL 139 N -1.46 4.53 0.22 -0.44 -7.23 -1.26 -1.76 120.40 113.00 1muj s VAL 139 Ca 0.41 1.22 0.11 0.00 -1.81 0.00 0.00 61.98 61.92 1muj s VAL 139 Cb -0.17 -3.69 -0.05 0.00 0.56 0.00 0.00 36.38 33.03 1muj s VAL 139 CO 0.21 -0.58 -0.20 0.20 -0.31 0.00 0.00 175.10 174.42 1muj s ASN 140 N -2.86 3.63 0.48 4.85 0.01 -0.63 -4.82 114.94 115.60 1muj s ASN 140 Ca 0.59 -0.88 0.18 0.00 -0.71 0.00 0.00 52.86 52.04 1muj s ASN 140 Cb -0.10 -0.35 1.20 0.00 0.41 0.00 0.00 41.25 42.42 1muj s ASN 140 CO 0.27 0.09 2.01 0.03 -1.51 0.00 0.00 177.10 177.99 1muj h ARG 141 N 2.80 0.19 -0.69 -0.60 2.47 -1.98 -0.26 114.38 116.32 1muj h ARG 141 Ca -0.44 -0.01 0.00 0.00 -1.26 0.00 0.00 59.98 58.27 1muj h ARG 141 Cb 1.23 -0.04 0.00 0.00 -1.65 0.00 0.00 29.97 29.50 1muj h ARG 141 CO 0.53 0.13 0.00 -0.40 0.56 0.00 0.00 179.97 180.79 1muj n ASP 142 N -4.45 3.64 -1.06 7.04 5.75 -1.26 -4.89 116.55 121.32 1muj n ASP 142 Ca 0.08 -2.46 -0.14 0.00 -0.01 0.00 0.00 54.79 52.26 1muj n ASP 142 Cb 0.42 -0.56 -0.06 0.00 -1.03 0.00 0.00 41.12 39.89 1muj n ASP 142 CO 0.00 0.00 0.00 -1.22 -0.11 0.00 0.00 177.20 175.87 1muj n TYR 143 N 0.48 0.00 -2.96 2.11 4.01 -0.11 -4.99 117.16 115.69 1muj n TYR 143 Ca 0.17 0.00 -0.13 0.00 -0.16 0.00 0.00 57.90 57.78 1muj n TYR 143 Cb 0.75 -2.69 0.05 0.00 -0.31 0.00 0.00 39.34 37.13 1muj n TYR 143 CO 0.00 0.00 0.00 -1.13 -0.46 0.00 0.00 176.86 175.27 1muj n SER 144 N -0.77 1.29 -4.31 7.72 3.41 -1.26 -4.87 113.62 114.83 1muj n SER 144 Ca -0.14 -1.95 -0.16 0.00 -0.26 0.00 0.00 58.87 56.36 1muj n SER 144 Cb 0.53 -0.29 -0.10 0.00 -0.26 0.00 0.00 64.21 64.09 1muj n SER 144 CO 0.00 0.00 0.00 -0.36 -0.16 0.00 0.00 175.04 174.52 1muj s PHE 145 N -1.35 1.51 0.11 7.33 0.40 0.93 -1.61 117.98 125.29 1muj s PHE 145 Ca 0.39 -1.16 0.01 0.00 -0.60 0.00 0.00 56.93 55.58 1muj s PHE 145 Cb -0.03 -0.88 -0.04 0.00 0.51 0.00 0.00 43.02 42.58 1muj s PHE 145 CO 0.25 -0.32 -0.05 -3.38 0.70 0.00 0.00 175.22 172.43 1muj s HIS 146 N -3.74 0.90 -0.12 0.36 -3.43 -0.72 -0.66 115.29 107.87 1muj s HIS 146 Ca 0.36 -0.96 -0.23 0.00 -0.80 0.00 0.00 55.06 53.44 1muj s HIS 146 Cb 0.08 -0.53 0.05 0.00 -1.43 0.00 0.00 32.58 30.75 1muj s HIS 146 CO 0.13 -0.20 0.56 0.21 -2.00 0.00 0.00 174.74 173.44 1muj s LYS 147 N -3.86 0.80 0.14 -0.38 2.20 -0.41 -0.24 119.74 117.99 1muj s LYS 147 Ca 0.14 0.43 0.10 0.00 -0.36 0.00 0.00 55.97 56.27 1muj s LYS 147 Cb 0.06 0.38 -0.04 0.00 -1.51 0.00 0.00 37.83 36.72 1muj s LYS 147 CO -0.04 -0.18 -0.22 -0.51 -0.36 0.00 0.00 175.35 174.04 1muj s LEU 148 N -0.52 2.52 0.06 5.43 1.02 -1.26 -1.17 118.68 124.77 1muj s LEU 148 Ca -0.06 -0.70 0.07 0.00 0.02 0.00 0.00 54.13 53.46 1muj s LEU 148 Cb -0.03 -1.35 -0.03 0.00 0.02 0.00 0.00 46.19 44.80 1muj s LEU 148 CO 0.05 0.16 -0.19 -0.55 0.02 0.00 0.00 176.35 175.83 1muj s SER 149 N -2.28 2.33 -0.03 2.29 0.15 -0.50 -1.28 113.70 114.38 1muj s SER 149 Ca 0.18 -0.58 0.04 0.00 0.70 0.00 0.00 55.95 56.29 1muj s SER 149 Cb -0.10 -0.16 -0.01 0.00 -1.71 0.00 0.00 66.02 64.05 1muj s SER 149 CO 0.09 0.09 -0.16 -0.31 1.20 0.00 0.00 173.24 174.15 1muj s TYR 150 N -0.96 1.51 -0.20 3.44 1.51 0.24 -0.16 117.35 122.74 1muj s TYR 150 Ca 0.06 -0.36 0.01 0.00 -1.01 0.00 0.00 57.07 55.76 1muj s TYR 150 Cb -0.09 -1.00 0.04 0.00 -0.11 0.00 0.00 41.96 40.79 1muj s TYR 150 CO 0.03 -0.09 -0.13 -1.17 -1.11 0.00 0.00 175.55 173.07 1muj s LEU 151 N -0.13 2.33 0.10 -1.29 2.96 0.13 -0.95 118.68 121.82 1muj s LEU 151 Ca 0.01 -0.86 -0.30 0.00 -0.22 0.00 0.00 54.13 52.75 1muj s LEU 151 Cb -0.09 -1.31 -0.06 0.00 0.50 0.00 0.00 46.19 45.23 1muj s LEU 151 CO 0.01 -0.11 1.19 -0.89 -1.32 0.00 0.00 176.35 175.22 1muj s THR 152 N 1.35 3.91 0.22 3.68 2.01 0.58 -0.58 115.64 126.82 1muj s THR 152 Ca -0.00 1.44 -0.14 0.00 0.31 0.00 0.00 61.69 63.30 1muj s THR 152 Cb -0.16 -3.92 0.00 0.00 0.01 0.00 0.00 72.50 68.44 1muj s THR 152 CO -0.09 0.15 0.47 0.72 -0.69 0.00 0.00 174.62 175.17 1muj s PHE 153 N 0.71 0.22 -0.30 4.92 -0.71 -0.30 -4.92 117.98 117.59 1muj s PHE 153 Ca 0.57 -0.58 -0.04 0.00 -1.04 0.00 0.00 56.93 55.84 1muj s PHE 153 Cb -0.30 0.22 0.04 0.00 -1.21 0.00 0.00 43.02 41.77 1muj s PHE 153 CO 0.31 -0.93 0.02 0.42 -1.34 0.00 0.00 175.22 173.70 1muj s ILE 154 N -3.97 3.29 0.08 -4.49 -1.09 -1.26 0.10 121.20 113.87 1muj s ILE 154 Ca 0.17 -1.15 -0.33 0.00 -2.23 0.00 0.00 60.65 57.11 1muj s ILE 154 Cb -0.00 -2.81 -0.12 0.00 -1.58 0.00 0.00 42.46 37.94 1muj s ILE 154 CO 0.04 -0.04 1.73 -2.65 -1.23 0.00 0.00 174.94 172.80 1muj n PRO 155 N 4.71 2.33 -3.67 2.79 -0.02 -1.26 -4.78 135.00 135.10 1muj n PRO 155 Ca -0.14 0.85 -0.11 0.00 -2.02 0.00 0.00 63.50 62.08 1muj n PRO 155 Cb 0.45 -2.67 -0.09 0.00 -0.02 0.00 0.00 33.50 31.17 1muj n PRO 155 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 1muj s SER 156 N 2.25 -0.66 0.20 2.55 0.15 -1.26 -0.94 113.70 115.99 1muj s SER 156 Ca 0.83 1.17 0.20 0.00 0.70 0.00 0.00 55.95 58.86 1muj s SER 156 Cb -0.63 1.11 0.89 0.00 -1.71 0.00 0.00 66.02 65.68 1muj s SER 156 CO 0.41 -0.21 1.63 0.47 1.20 0.00 0.00 173.24 176.74 1muj n ASP 157 N 3.56 0.49 0.05 5.45 8.00 -1.26 -2.04 116.55 130.80 1muj n ASP 157 Ca -0.18 0.64 0.12 0.00 0.71 0.00 0.00 54.79 56.07 1muj n ASP 157 Cb 0.57 -0.74 0.47 0.00 -0.02 0.00 0.00 41.12 41.40 1muj n ASP 157 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 1muj n ASP 158 N -2.06 0.30 -4.68 -2.24 8.00 -1.26 -4.63 116.55 109.98 1muj n ASP 158 Ca 0.02 0.55 -0.31 0.00 0.71 0.00 0.00 54.79 55.76 1muj n ASP 158 Cb 0.18 -0.62 -0.08 0.00 -0.02 0.00 0.00 41.12 40.58 1muj n ASP 158 CO 0.00 0.00 0.00 -1.81 -0.39 0.00 0.00 177.20 175.00 1muj s ASP 159 N -3.56 5.01 -0.06 -2.24 1.01 -0.87 -5.04 116.67 110.92 1muj s ASP 159 Ca 0.10 -0.14 0.02 0.00 0.71 0.00 0.00 52.55 53.24 1muj s ASP 159 Cb 0.13 -1.21 0.01 0.00 1.01 0.00 0.00 42.92 42.86 1muj s ASP 159 CO 0.45 0.21 -0.11 0.27 0.21 0.00 0.00 175.17 176.19 1muj s ILE 160 N -1.24 1.04 0.34 0.77 -5.25 -1.26 -4.51 121.20 111.09 1muj s ILE 160 Ca 0.24 -0.43 0.08 0.00 -0.99 0.00 0.00 60.65 59.55 1muj s ILE 160 Cb -0.12 -0.96 -0.03 0.00 2.95 0.00 0.00 42.46 44.30 1muj s ILE 160 CO 0.16 0.33 0.21 -0.31 -1.79 0.00 0.00 174.94 173.55 1muj s TYR 161 N 0.67 2.80 -0.13 1.37 1.51 0.82 -0.40 117.35 123.99 1muj s TYR 161 Ca -0.14 -0.34 -0.07 0.00 -1.01 0.00 0.00 57.07 55.51 1muj s TYR 161 Cb -0.15 -1.71 0.05 0.00 -0.11 0.00 0.00 41.96 40.03 1muj s TYR 161 CO 0.03 0.26 0.31 -0.51 -1.11 0.00 0.00 175.55 174.54 1muj s ASP 162 N -3.92 -0.36 -0.28 2.29 1.01 0.73 -1.95 116.67 114.19 1muj s ASP 162 Ca 0.39 0.66 -0.13 0.00 0.71 0.00 0.00 52.55 54.19 1muj s ASP 162 Cb -0.04 0.56 -0.04 0.00 1.01 0.00 0.00 42.92 44.41 1muj s ASP 162 CO 0.25 -0.17 0.27 0.00 0.21 0.00 0.00 175.17 175.73 1muj s LYS 164 N 1.89 3.51 -0.16 0.00 2.20 0.24 -0.48 119.74 126.93 1muj s LYS 164 Ca 0.10 -0.58 -0.03 0.00 -0.36 0.00 0.00 55.97 55.11 1muj s LYS 164 Cb -0.16 -3.37 -0.02 0.00 -1.51 0.00 0.00 37.83 32.77 1muj s LYS 164 CO 0.11 -0.27 -0.07 0.08 -0.36 0.00 0.00 175.35 174.84 1muj s VAL 165 N 1.59 3.49 -0.18 4.02 1.01 0.58 -0.90 120.40 130.01 1muj s VAL 165 Ca 0.05 -0.49 -0.01 0.00 0.00 0.00 0.00 61.98 61.54 1muj s VAL 165 Cb -0.16 -2.52 0.01 0.00 0.00 0.00 0.00 36.38 33.71 1muj s VAL 165 CO 0.04 0.49 -0.14 -1.61 0.00 0.00 0.00 175.10 173.87 1muj s GLU 166 N 0.62 3.16 -0.06 2.72 2.02 -0.12 -1.31 118.70 125.73 1muj s GLU 166 Ca -0.04 -0.75 -0.13 0.00 0.02 0.00 0.00 54.97 54.07 1muj s GLU 166 Cb -0.15 -2.70 0.03 0.00 0.10 0.00 0.00 34.13 31.40 1muj s GLU 166 CO 0.03 -0.14 0.30 -1.58 0.02 0.00 0.00 175.26 173.89 1muj s HIS 167 N 1.19 -0.25 0.55 1.61 2.46 -1.26 -1.77 115.29 117.82 1muj s HIS 167 Ca 0.02 0.52 0.31 0.00 0.47 0.00 0.00 55.06 56.38 1muj s HIS 167 Cb -0.14 0.10 1.47 0.00 -0.13 0.00 0.00 32.58 33.88 1muj s HIS 167 CO -0.06 -0.28 1.88 -1.49 -2.47 0.00 0.00 174.74 172.32 1muj h TRP 168 N 4.75 0.00 -0.13 3.88 6.55 -1.91 0.58 115.95 129.67 1muj h TRP 168 Ca -0.28 0.00 0.00 0.00 0.95 0.00 0.00 58.89 59.56 1muj h TRP 168 Cb 1.18 0.00 0.00 0.00 -0.86 0.00 0.00 29.16 29.48 1muj h TRP 168 CO 0.47 0.00 0.00 0.41 -1.05 0.00 0.00 178.44 178.27 1muj n GLY 169 N -1.67 -0.23 3.23 1.49 0.00 -1.26 -4.72 105.19 102.03 1muj n GLY 169 Ca 0.16 -0.24 -0.33 0.00 0.00 0.00 0.00 46.02 45.61 1muj n GLY 169 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1muj s LEU 170 N -1.32 2.41 0.00 0.99 1.43 0.19 -4.24 118.68 118.15 1muj s LEU 170 Ca 0.22 -0.52 0.00 0.00 -1.03 0.00 0.00 54.13 52.81 1muj s LEU 170 Cb 0.11 -1.55 0.00 0.00 0.03 0.00 0.00 46.19 44.78 1muj s LEU 170 CO 0.17 0.05 0.50 -1.84 0.23 0.00 0.00 176.35 175.46 1muj n GLU 171 N 4.28 0.83 0.00 1.70 0.28 -1.26 -4.71 120.64 121.76 1muj n GLU 171 Ca -0.19 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 56.81 1muj n GLU 171 Cb 0.51 -1.35 0.00 0.00 1.43 0.00 0.00 31.44 32.03 1muj n GLU 171 CO 0.00 0.00 0.00 -0.85 -0.16 0.00 0.00 177.13 176.12 1muj n GLU 172 N 0.19 0.00 -1.68 3.44 0.28 -1.26 -5.13 120.64 116.48 1muj n GLU 172 Ca 0.00 0.00 -0.46 0.00 -0.16 0.00 0.00 57.16 56.54 1muj n GLU 172 Cb 0.25 0.00 -0.04 0.00 1.43 0.00 0.00 31.44 33.08 1muj n GLU 172 CO 0.00 0.00 0.00 -2.30 -0.16 0.00 0.00 177.13 174.67 1muj n PRO 173 N -0.41 2.24 -3.34 3.44 -0.02 -1.26 -4.91 135.00 130.73 1muj n PRO 173 Ca 0.00 0.81 -0.38 0.00 -2.02 0.00 0.00 63.50 61.91 1muj n PRO 173 Cb 0.00 -2.59 -0.06 0.00 -0.02 0.00 0.00 33.50 30.83 1muj n PRO 173 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1muj s VAL 174 N 1.17 5.15 -0.24 -1.45 1.01 -0.42 -4.90 120.40 120.71 1muj s VAL 174 Ca 0.79 0.94 0.02 0.00 0.00 0.00 0.00 61.98 63.73 1muj s VAL 174 Cb -0.65 -3.80 0.04 0.00 0.00 0.00 0.00 36.38 31.97 1muj s VAL 174 CO 0.38 0.37 -0.12 -0.76 0.00 0.00 0.00 175.10 174.97 1muj s LEU 175 N 0.31 3.07 -0.23 3.92 1.02 -1.26 -0.31 118.68 125.21 1muj s LEU 175 Ca 0.25 -1.11 -0.19 0.00 0.02 0.00 0.00 54.13 53.10 1muj s LEU 175 Cb -0.15 -1.55 -0.03 0.00 0.02 0.00 0.00 46.19 44.47 1muj s LEU 175 CO 0.11 -0.13 0.56 -0.54 0.02 0.00 0.00 176.35 176.36 1muj s LYS 176 N 1.19 4.14 0.24 1.70 -0.14 0.36 -4.87 119.74 122.36 1muj s LYS 176 Ca -0.04 0.44 -0.03 0.00 -1.36 0.00 0.00 55.97 54.99 1muj s LYS 176 Cb -0.18 -3.61 -0.05 0.00 -1.68 0.00 0.00 37.83 32.31 1muj s LYS 176 CO -0.07 -0.28 0.47 -1.58 -0.76 0.00 0.00 175.35 173.13 1muj s HIS 177 N 2.08 3.48 -0.13 3.18 5.65 -1.26 -0.45 115.29 127.82 1muj s HIS 177 Ca 0.24 0.51 -0.26 0.00 0.25 0.00 0.00 55.06 55.80 1muj s HIS 177 Cb -0.16 -1.99 0.06 0.00 -1.18 0.00 0.00 32.58 29.32 1muj s HIS 177 CO 0.09 0.28 0.65 -0.46 -0.65 0.00 0.00 174.74 174.65 1muj s TRP 178 N -1.95 -0.66 -0.25 3.88 -0.00 -0.82 -4.93 118.94 114.21 1muj s TRP 178 Ca 0.41 1.35 -0.26 0.00 -0.00 0.00 0.00 56.10 57.61 1muj s TRP 178 Cb -0.11 0.32 0.10 0.00 -0.00 0.00 0.00 33.47 33.77 1muj s TRP 178 CO 0.29 -0.48 0.86 0.45 -0.00 0.00 0.00 176.95 178.07 1muj s SER 179 N -0.53 -0.59 0.32 5.86 0.15 -1.26 -0.13 113.70 117.52 1muj s SER 179 Ca -0.06 1.07 0.25 0.00 0.70 0.00 0.00 55.95 57.90 1muj s SER 179 Cb -0.02 1.06 1.14 0.00 -1.71 0.00 0.00 66.02 66.49 1muj s SER 179 CO 0.06 -0.25 1.75 0.77 1.20 0.00 0.00 173.24 176.76 1muj h SER 180 N 4.31 0.00 1.15 5.45 4.64 -1.80 -2.52 113.55 124.79 1muj h SER 180 Ca -0.28 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.03 1muj h SER 180 Cb 1.16 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.25 1muj h SER 180 CO 0.12 0.00 -0.05 0.00 -0.87 0.00 0.00 176.83 176.03 1muj h ALA 181 N 2.15 1.00 -0.75 5.18 0.00 -1.85 -3.03 119.26 121.95 1muj h ALA 181 Ca 0.00 -0.04 0.14 0.00 0.00 0.00 0.00 54.91 55.00 1muj h ALA 181 Cb 0.24 -0.01 -0.05 0.00 0.00 0.00 0.00 17.79 17.97 1muj h ALA 181 CO 0.00 0.06 0.50 -0.44 0.00 0.00 0.00 179.25 179.37 1muj h ASP 182 N 0.00 0.44 0.00 0.00 3.32 -1.85 -3.52 116.42 114.81 1muj h ASP 182 Ca -0.00 0.02 0.00 0.00 0.02 0.00 0.00 57.03 57.07 1muj h ASP 182 Cb 0.64 -0.07 0.00 0.00 0.22 0.00 0.00 39.33 40.12 1muj h ASP 182 CO 0.01 0.23 0.00 0.18 -1.72 0.00 0.00 179.24 177.94