#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1njg s VAL 5 N 0.00 3.89 0.24 -0.39 -7.23 -1.26 -4.89 120.40 110.75 1njg s VAL 5 Ca 0.00 -0.86 -0.08 0.00 -1.81 0.00 0.00 61.98 59.23 1njg s VAL 5 Cb 0.00 -2.78 0.38 0.00 0.56 0.00 0.00 36.38 34.54 1njg s VAL 5 CO 0.00 0.26 1.35 0.18 -0.31 0.00 0.00 175.10 176.57 1njg n LEU 6 N 1.05 -0.34 -0.34 1.32 4.77 -1.26 0.60 117.00 122.79 1njg n LEU 6 Ca -0.13 1.49 0.10 0.00 -0.03 0.00 0.00 56.01 57.44 1njg n LEU 6 Cb 0.52 -0.44 0.29 0.00 -2.33 0.00 0.00 43.42 41.47 1njg n LEU 6 CO 0.35 -1.42 1.22 0.00 -1.33 0.00 0.00 177.39 176.21 1njg h ALA 7 N 1.67 1.63 0.09 -1.18 0.00 -1.94 0.25 119.26 119.78 1njg h ALA 7 Ca 0.40 0.04 -0.28 0.00 0.00 0.00 0.00 54.91 55.07 1njg h ALA 7 Cb 0.62 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.24 1njg h ALA 7 CO -0.89 0.08 -1.49 0.00 0.00 0.00 0.00 179.25 176.95 1njg h ARG 8 N 0.87 0.18 0.00 0.00 2.47 -0.40 -3.36 114.38 114.14 1njg h ARG 8 Ca 0.51 -0.31 -0.01 0.00 -1.26 0.00 0.00 59.98 58.91 1njg h ARG 8 Cb 0.66 0.11 -0.00 0.00 -1.65 0.00 0.00 29.97 29.09 1njg h ARG 8 CO -0.28 1.15 -0.06 -0.22 0.56 0.00 0.00 179.97 181.11 1njg h LYS 9 N -0.41 0.00 -0.71 0.04 3.64 0.42 -2.62 116.57 116.93 1njg h LYS 9 Ca -0.34 0.00 -0.39 0.00 -1.27 0.00 0.00 60.65 58.65 1njg h LYS 9 Cb 1.70 0.00 -0.23 0.00 -0.41 0.00 0.00 32.23 33.29 1njg h LYS 9 CO -0.01 0.06 0.30 0.91 -2.27 0.00 0.00 179.45 178.45 1njg n TRP 10 N -3.68 2.23 -2.36 1.91 7.02 0.87 -4.98 117.44 118.45 1njg n TRP 10 Ca -0.02 -1.88 -0.41 0.00 -1.02 0.00 0.00 57.50 54.17 1njg n TRP 10 Cb 0.17 -0.78 -0.03 0.00 -2.42 0.00 0.00 31.31 28.25 1njg n TRP 10 CO 0.00 0.00 0.00 1.03 -2.02 0.00 0.00 177.69 176.70 1njg s ARG 11 N -3.35 4.49 0.24 -0.99 0.52 -0.99 -4.95 118.95 113.93 1njg s ARG 11 Ca 0.52 1.90 -0.31 0.00 -0.52 0.00 0.00 55.73 57.32 1njg s ARG 11 Cb 0.45 -3.22 -0.13 0.00 0.52 0.00 0.00 34.95 32.57 1njg s ARG 11 CO 0.05 -0.08 1.49 -2.30 0.02 0.00 0.00 175.30 174.48 1njg n PRO 12 N 2.32 2.25 -0.00 3.54 -0.02 -1.26 -4.89 135.00 136.94 1njg n PRO 12 Ca 0.04 0.80 0.06 0.00 -2.02 0.00 0.00 63.50 62.39 1njg n PRO 12 Cb 0.44 -2.52 -0.08 0.00 -0.02 0.00 0.00 33.50 31.33 1njg n PRO 12 CO 0.00 0.00 0.00 1.04 1.98 0.00 0.00 175.50 178.52 1njg n GLN 13 N 2.34 2.17 -3.65 -0.52 1.13 -1.26 -4.99 117.38 112.60 1njg n GLN 13 Ca 0.12 -0.03 -0.11 0.00 -1.94 0.00 0.00 57.00 55.04 1njg n GLN 13 Cb 0.33 -1.16 -0.05 0.00 0.11 0.00 0.00 30.24 29.46 1njg n GLN 13 CO 0.00 0.00 0.00 -0.08 -1.44 0.00 0.00 177.06 175.54 1njg s THR 14 N -2.39 0.07 0.39 5.09 -1.32 -1.26 -4.76 115.64 111.45 1njg s THR 14 Ca 0.03 -0.54 0.16 0.00 -1.21 0.00 0.00 61.69 60.14 1njg s THR 14 Cb 0.10 -1.08 0.37 0.00 -1.51 0.00 0.00 72.50 70.38 1njg s THR 14 CO 0.54 -0.30 1.79 -0.26 -2.21 0.00 0.00 174.62 174.19 1njg h PHE 15 N 2.63 0.69 -0.91 9.09 0.04 -1.93 0.59 116.94 127.15 1njg h PHE 15 Ca -0.33 0.02 0.08 0.00 2.80 0.00 0.00 57.97 60.54 1njg h PHE 15 Cb 1.23 -0.20 -0.06 0.00 2.20 0.00 0.00 35.95 39.12 1njg h PHE 15 CO 0.36 0.10 0.59 0.00 -0.60 0.00 0.00 178.31 178.76 1njg h ALA 16 N 1.62 1.56 0.00 2.45 0.00 -1.96 -1.37 119.26 121.57 1njg h ALA 16 Ca 0.57 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.46 1njg h ALA 16 Cb 1.34 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 18.89 1njg h ALA 16 CO -0.28 0.28 0.00 -0.25 0.00 0.00 0.00 179.25 179.00 1njg n ASP 17 N -4.51 0.12 -4.74 0.00 8.00 0.20 -4.83 116.55 110.78 1njg n ASP 17 Ca 0.15 0.52 -0.41 0.00 0.71 0.00 0.00 54.79 55.76 1njg n ASP 17 Cb 0.25 -0.55 -0.04 0.00 -0.02 0.00 0.00 41.12 40.76 1njg n ASP 17 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 1njg s VAL 18 N -3.04 3.64 -0.16 2.53 1.01 -0.52 -4.87 120.40 118.99 1njg s VAL 18 Ca 0.08 1.43 -0.19 0.00 0.00 0.00 0.00 61.98 63.31 1njg s VAL 18 Cb 0.12 -3.91 -0.04 0.00 0.00 0.00 0.00 36.38 32.55 1njg s VAL 18 CO 0.35 0.25 0.51 -0.69 0.00 0.00 0.00 175.10 175.52 1njg s VAL 19 N -0.28 5.14 0.00 2.92 1.01 -1.26 -4.95 120.40 122.98 1njg s VAL 19 Ca 0.50 0.98 0.00 0.00 0.00 0.00 0.00 61.98 63.47 1njg s VAL 19 Cb -0.32 -3.84 0.00 0.00 0.00 0.00 0.00 36.38 32.22 1njg s VAL 19 CO 0.37 0.25 0.00 0.61 0.00 0.00 0.00 175.10 176.33 1njg n GLY 20 N 3.57 -0.89 3.11 4.51 0.00 -1.26 -4.94 105.19 109.29 1njg n GLY 20 Ca -0.06 -1.19 -0.21 0.00 0.00 0.00 0.00 46.02 44.57 1njg n GLY 20 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1njg n GLN 21 N 0.00 -3.50 -0.34 1.61 1.13 -1.26 -4.85 117.38 110.16 1njg n GLN 21 Ca 0.00 0.60 0.03 0.00 -1.94 0.00 0.00 57.00 55.69 1njg n GLN 21 Cb 0.00 -5.32 0.09 0.00 0.11 0.00 0.00 30.24 25.12 1njg n GLN 21 CO 0.00 0.00 0.00 0.39 -1.44 0.00 0.00 177.06 176.01 1njg n GLU 22 N -3.62 -0.14 -0.29 -1.09 1.02 -1.26 -1.36 120.64 113.90 1njg n GLU 22 Ca -0.06 1.44 -0.05 0.00 -0.02 0.00 0.00 57.16 58.47 1njg n GLU 22 Cb 0.57 -2.14 0.07 0.00 -0.02 0.00 0.00 31.44 29.93 1njg n GLU 22 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 1njg h HIS 23 N 0.00 1.07 -0.32 -0.32 3.86 -1.99 -1.47 115.15 115.99 1njg h HIS 23 Ca 0.39 -0.01 -0.05 0.00 -1.16 0.00 0.00 60.37 59.54 1njg h HIS 23 Cb 0.62 -0.35 -0.01 0.00 1.06 0.00 0.00 27.41 28.74 1njg h HIS 23 CO -0.75 0.73 -0.01 0.28 0.86 0.00 0.00 177.93 179.03 1njg h VAL 24 N 1.10 1.26 -0.47 2.45 2.07 -1.59 -2.20 116.25 118.87 1njg h VAL 24 Ca 0.29 -0.98 -0.01 0.00 0.82 0.00 0.00 66.70 66.82 1njg h VAL 24 Cb -0.02 1.27 -0.02 0.00 -1.52 0.00 0.00 31.29 31.00 1njg h VAL 24 CO -0.05 0.32 0.27 -0.07 0.02 0.00 0.00 177.57 178.05 1njg h LEU 25 N 0.36 0.58 -0.40 2.57 3.38 -1.19 -1.63 115.31 118.98 1njg h LEU 25 Ca 0.09 -0.08 0.01 0.00 0.09 0.00 0.00 57.88 57.99 1njg h LEU 25 Cb 0.46 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 41.04 1njg h LEU 25 CO 0.02 0.49 0.26 0.74 0.09 0.00 0.00 178.44 180.04 1njg h THR 26 N 0.62 1.08 -0.65 0.22 2.02 -1.23 0.11 112.91 115.09 1njg h THR 26 Ca 0.17 -0.18 -0.07 0.00 0.77 0.00 0.00 66.41 67.10 1njg h THR 26 Cb 0.03 0.51 -0.03 0.00 -1.74 0.00 0.00 68.15 66.93 1njg h THR 26 CO -0.03 0.10 0.15 0.00 0.37 0.00 0.00 175.52 176.10 1njg h ALA 27 N 1.16 1.03 0.04 6.16 0.00 -1.09 -1.02 119.26 125.54 1njg h ALA 27 Ca 0.15 -0.24 -0.24 0.00 0.00 0.00 0.00 54.91 54.58 1njg h ALA 27 Cb -0.04 -0.25 0.02 0.00 0.00 0.00 0.00 17.79 17.52 1njg h ALA 27 CO -0.05 0.63 -0.97 -0.07 0.00 0.00 0.00 179.25 178.80 1njg h LEU 28 N 0.98 0.79 0.56 0.00 3.38 -1.15 -1.27 115.31 118.59 1njg h LEU 28 Ca 0.20 -0.78 -0.03 0.00 0.09 0.00 0.00 57.88 57.37 1njg h LEU 28 Cb 0.36 -0.24 0.00 0.00 0.09 0.00 0.00 40.66 40.87 1njg h LEU 28 CO 0.00 1.47 -0.29 0.00 0.09 0.00 0.00 178.44 179.72 1njg h ALA 29 N 0.33 -0.78 -0.86 1.53 0.00 -0.75 0.48 119.26 119.21 1njg h ALA 29 Ca -0.13 -0.17 -0.00 0.00 0.00 0.00 0.00 54.91 54.61 1njg h ALA 29 Cb 1.65 0.32 -0.04 0.00 0.00 0.00 0.00 17.79 19.72 1njg h ALA 29 CO 0.19 -0.94 0.53 -0.91 0.00 0.00 0.00 179.25 178.12 1njg h ASN 30 N -0.78 1.03 -0.25 0.00 2.35 -1.29 0.24 115.58 116.88 1njg h ASN 30 Ca -0.07 -0.05 -0.01 0.00 -0.55 0.00 0.00 56.30 55.62 1njg h ASN 30 Cb 0.60 -0.26 -0.01 0.00 0.05 0.00 0.00 38.32 38.70 1njg h ASN 30 CO 0.11 0.78 0.13 1.23 -1.65 0.00 0.00 177.43 178.03 1njg h GLY 31 N 1.20 0.38 0.92 2.83 0.00 -0.96 0.05 103.07 107.48 1njg h GLY 31 Ca 0.31 -0.18 -0.05 0.00 0.00 0.00 0.00 47.33 47.42 1njg h GLY 31 CO -0.06 0.17 0.04 1.41 0.00 0.00 0.00 176.54 178.10 1njg h LEU 32 N 0.28 0.59 -2.36 3.11 3.38 -0.49 -2.07 115.31 117.75 1njg h LEU 32 Ca 0.09 -0.27 -0.01 0.00 0.09 0.00 0.00 57.88 57.78 1njg h LEU 32 Cb 0.09 -0.16 -0.00 0.00 0.09 0.00 0.00 40.66 40.68 1njg h LEU 32 CO -0.01 0.72 -0.03 0.28 0.09 0.00 0.00 178.44 179.48 1njg h SER 33 N 0.44 0.00 -0.09 -0.43 0.02 -0.73 -2.96 113.55 109.80 1njg h SER 33 Ca 0.11 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.06 1njg h SER 33 Cb 0.39 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.93 1njg h SER 33 CO 0.01 0.03 0.00 0.18 -1.14 0.00 0.00 176.83 175.91 1njg n LEU 34 N -3.37 2.58 -0.35 5.07 4.32 -0.02 -4.94 117.00 120.29 1njg n LEU 34 Ca -0.02 -1.13 -0.05 0.00 -0.02 0.00 0.00 56.01 54.79 1njg n LEU 34 Cb 0.16 -0.05 -0.02 0.00 -1.62 0.00 0.00 43.42 41.89 1njg n LEU 34 CO 0.25 0.49 -0.04 0.61 -1.22 0.00 0.00 177.39 177.48 1njg n GLY 35 N 0.99 0.67 3.35 -0.72 0.00 -0.97 -4.90 105.19 103.61 1njg n GLY 35 Ca 0.11 -0.25 -0.46 0.00 0.00 0.00 0.00 46.02 45.42 1njg n GLY 35 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1njg s ARG 36 N -1.83 3.78 -0.08 1.61 1.81 -0.82 -5.01 118.95 118.42 1njg s ARG 36 Ca 0.00 -2.60 0.05 0.00 -1.72 0.00 0.00 55.73 51.46 1njg s ARG 36 Cb 0.00 -4.54 -0.00 0.00 -0.45 0.00 0.00 34.95 29.96 1njg s ARG 36 CO 0.00 -1.34 -0.23 0.42 -0.68 0.00 0.00 175.30 173.47 1njg s ILE 37 N 0.09 1.92 0.72 1.52 1.01 -1.26 -4.47 121.20 120.72 1njg s ILE 37 Ca 0.24 -0.96 -0.06 0.00 0.00 0.00 0.00 60.65 59.86 1njg s ILE 37 Cb -0.09 -1.65 0.07 0.00 0.01 0.00 0.00 42.46 40.80 1njg s ILE 37 CO -0.08 0.53 1.02 -1.00 0.00 0.00 0.00 174.94 175.41 1njg s HIS 38 N 0.17 2.71 0.02 3.97 3.76 -1.26 -5.02 115.29 119.65 1njg s HIS 38 Ca -0.12 0.36 -0.17 0.00 -0.15 0.00 0.00 55.06 54.97 1njg s HIS 38 Cb -0.16 -3.23 -0.32 0.00 1.11 0.00 0.00 32.58 29.98 1njg s HIS 38 CO 0.06 -1.50 1.01 0.45 -0.85 0.00 0.00 174.74 173.92 1njg h HIS 39 N -0.64 0.88 -3.88 1.40 -0.00 -1.91 -3.47 115.15 107.53 1njg h HIS 39 Ca -0.44 -0.61 -0.24 0.00 -0.00 0.00 0.00 60.37 59.09 1njg h HIS 39 Cb 1.31 -0.05 -0.25 0.00 -0.00 0.00 0.00 27.41 28.42 1njg h HIS 39 CO 0.19 1.46 -0.72 0.00 -0.00 0.00 0.00 177.93 178.85 1njg s ALA 40 N -2.72 0.23 0.05 2.45 0.00 -1.26 -1.62 121.76 118.89 1njg s ALA 40 Ca -0.10 -0.36 0.08 0.00 0.00 0.00 0.00 51.96 51.58 1njg s ALA 40 Cb 0.04 0.03 -0.03 0.00 0.00 0.00 0.00 23.12 23.16 1njg s ALA 40 CO 0.91 -0.03 -0.24 0.71 0.00 0.00 0.00 175.76 177.11 1njg s TYR 41 N -0.72 2.08 -0.18 0.00 1.51 0.13 -2.41 117.35 117.76 1njg s TYR 41 Ca -0.06 -0.39 0.00 0.00 -1.01 0.00 0.00 57.07 55.61 1njg s TYR 41 Cb -0.05 -1.23 0.04 0.00 -0.11 0.00 0.00 41.96 40.61 1njg s TYR 41 CO -0.00 0.13 -0.09 -1.17 -1.11 0.00 0.00 175.55 173.30 1njg s LEU 42 N -1.29 1.99 -0.26 -1.29 2.96 0.14 -0.19 118.68 120.75 1njg s LEU 42 Ca 0.10 -0.77 -0.10 0.00 -0.22 0.00 0.00 54.13 53.14 1njg s LEU 42 Cb -0.09 -1.12 -0.04 0.00 0.50 0.00 0.00 46.19 45.43 1njg s LEU 42 CO 0.02 -0.15 0.14 -0.36 -1.32 0.00 0.00 176.35 174.69 1njg s PHE 43 N 1.48 3.18 0.16 5.38 0.08 0.33 0.16 117.98 128.76 1njg s PHE 43 Ca 0.00 -0.05 0.09 0.00 0.12 0.00 0.00 56.93 57.09 1njg s PHE 43 Cb -0.15 -2.31 -0.04 0.00 -0.57 0.00 0.00 43.02 39.94 1njg s PHE 43 CO -0.08 -0.20 -0.21 -1.54 -0.10 0.00 0.00 175.22 173.09 1njg s SER 44 N 1.61 2.92 0.00 1.36 1.04 -0.09 -1.41 113.70 119.12 1njg s SER 44 Ca 0.07 -0.81 0.00 0.00 0.48 0.00 0.00 55.95 55.68 1njg s SER 44 Cb -0.15 -0.19 0.00 0.00 0.10 0.00 0.00 66.02 65.78 1njg s SER 44 CO 0.08 0.05 0.00 0.61 0.98 0.00 0.00 173.24 174.96 1njg n GLY 45 N 0.52 2.70 3.76 7.32 0.00 -1.11 -0.17 105.19 118.21 1njg n GLY 45 Ca -0.15 -1.27 -0.31 0.00 0.00 0.00 0.00 46.02 44.29 1njg n GLY 45 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1njg s THR 46 N -2.00 3.28 0.27 2.61 -4.23 -1.26 -4.08 115.64 110.23 1njg s THR 46 Ca 0.00 0.41 -0.30 0.00 -1.18 0.00 0.00 61.69 60.62 1njg s THR 46 Cb 0.00 -2.88 -0.12 0.00 1.34 0.00 0.00 72.50 70.83 1njg s THR 46 CO 0.00 -0.54 1.53 -1.14 -0.54 0.00 0.00 174.62 173.92 1njg n ARG 47 N -3.55 2.46 -0.22 3.99 0.63 -1.26 -2.66 116.66 116.05 1njg n ARG 47 Ca 0.09 0.87 0.00 0.00 -0.92 0.00 0.00 57.85 57.89 1njg n ARG 47 Cb 0.53 -2.61 0.00 0.00 0.45 0.00 0.00 32.46 30.83 1njg n ARG 47 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1njg n GLY 48 N 2.16 0.71 0.20 5.14 0.00 -1.26 -4.94 105.19 107.20 1njg n GLY 48 Ca 0.10 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.25 1njg n GLY 48 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 1njg n VAL 49 N -2.08 0.00 -0.30 1.61 0.24 -1.09 -4.14 118.33 112.58 1njg n VAL 49 Ca 0.00 -0.10 0.00 0.00 -2.04 0.00 0.00 64.34 62.20 1njg n VAL 49 Cb 0.00 0.23 0.00 0.00 -1.47 0.00 0.00 33.84 32.60 1njg n VAL 49 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1njg n GLY 50 N 1.32 0.99 0.31 7.63 0.00 -1.26 -4.87 105.19 109.32 1njg n GLY 50 Ca 0.13 -0.26 -0.12 0.00 0.00 0.00 0.00 46.02 45.76 1njg n GLY 50 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1njg h LYS 51 N 0.00 -0.45 0.00 1.61 1.57 -1.91 -1.02 116.57 116.37 1njg h LYS 51 Ca 0.00 0.03 -0.09 0.00 -1.87 0.00 0.00 60.65 58.72 1njg h LYS 51 Cb 0.05 0.10 -0.01 0.00 0.08 0.00 0.00 32.23 32.45 1njg h LYS 51 CO 0.00 -0.30 -0.44 1.79 -0.57 0.00 0.00 179.45 179.93 1njg h THR 52 N -0.46 1.31 -0.56 -0.16 1.35 -1.96 -2.30 112.91 110.13 1njg h THR 52 Ca 0.05 -1.53 -0.01 0.00 -0.55 0.00 0.00 66.41 64.37 1njg h THR 52 Cb 0.53 1.83 -0.03 0.00 -1.73 0.00 0.00 68.15 68.75 1njg h THR 52 CO -0.22 0.44 0.32 -1.28 -0.25 0.00 0.00 175.52 174.53 1njg h SER 53 N 0.00 0.69 0.39 5.36 0.87 -1.84 -1.49 113.55 117.54 1njg h SER 53 Ca -0.00 -0.08 -0.19 0.00 -1.23 0.00 0.00 61.79 60.29 1njg h SER 53 Cb 0.79 -0.18 -0.01 0.00 -0.44 0.00 0.00 62.40 62.57 1njg h SER 53 CO 0.06 0.57 -0.78 0.40 -0.53 0.00 0.00 176.83 176.55 1njg h ILE 54 N 0.75 1.42 -0.49 2.23 2.04 -1.03 -2.84 117.51 119.60 1njg h ILE 54 Ca 0.20 -2.30 -0.07 0.00 1.00 0.00 0.00 64.86 63.69 1njg h ILE 54 Cb 0.03 2.24 -0.02 0.00 -0.74 0.00 0.00 36.82 38.33 1njg h ILE 54 CO -0.03 0.68 0.01 0.00 0.00 0.00 0.00 178.15 178.80 1njg h ALA 55 N 0.98 1.09 -0.38 1.87 0.00 -1.22 -1.88 119.26 119.71 1njg h ALA 55 Ca -0.04 -0.26 -0.12 0.00 0.00 0.00 0.00 54.91 54.49 1njg h ALA 55 Cb 1.36 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.94 1njg h ALA 55 CO 0.13 0.58 -0.23 -0.09 0.00 0.00 0.00 179.25 179.63 1njg h ARG 56 N 0.76 0.77 -0.05 0.00 2.43 -1.23 -1.32 114.38 115.73 1njg h ARG 56 Ca 0.15 -0.31 -0.06 0.00 -0.81 0.00 0.00 59.98 58.94 1njg h ARG 56 Cb 0.45 -0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 29.96 1njg h ARG 56 CO 0.02 0.93 -0.25 -0.07 -1.51 0.00 0.00 179.97 179.08 1njg h LEU 57 N 0.67 0.08 -0.08 3.80 3.38 -1.23 0.74 115.31 122.66 1njg h LEU 57 Ca 0.09 -0.02 -0.03 0.00 0.09 0.00 0.00 57.88 58.01 1njg h LEU 57 Cb 0.74 -0.02 -0.00 0.00 0.09 0.00 0.00 40.66 41.47 1njg h LEU 57 CO 0.06 0.34 -0.06 0.25 0.09 0.00 0.00 178.44 179.11 1njg h LEU 58 N 0.07 0.20 -0.87 1.67 5.85 -0.84 0.19 115.31 121.58 1njg h LEU 58 Ca 0.01 -0.46 0.05 0.00 0.84 0.00 0.00 57.88 58.32 1njg h LEU 58 Cb 0.49 -0.06 -0.06 0.00 0.37 0.00 0.00 40.66 41.41 1njg h LEU 58 CO 0.04 0.62 0.55 0.00 -0.34 0.00 0.00 178.44 179.30 1njg h ALA 59 N 0.59 1.18 0.26 1.25 0.00 -0.83 0.24 119.26 121.94 1njg h ALA 59 Ca 0.01 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.89 1njg h ALA 59 Cb 0.55 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 18.08 1njg h ALA 59 CO 0.02 0.34 -0.13 -0.22 0.00 0.00 0.00 179.25 179.26 1njg h LYS 60 N 1.03 -0.34 -0.28 0.00 3.64 -0.74 0.10 116.57 119.98 1njg h LYS 60 Ca 0.37 0.02 -0.00 0.00 -1.27 0.00 0.00 60.65 59.77 1njg h LYS 60 Cb 0.10 0.08 -0.01 0.00 -0.41 0.00 0.00 32.23 31.99 1njg h LYS 60 CO -0.15 -0.21 0.17 0.78 -2.27 0.00 0.00 179.45 177.77 1njg h GLY 61 N -0.38 0.40 2.00 5.01 0.00 -0.38 0.22 103.07 109.95 1njg h GLY 61 Ca -0.04 -0.16 -0.14 0.00 0.00 0.00 0.00 47.33 47.00 1njg h GLY 61 CO 0.06 0.15 -0.66 1.41 0.00 0.00 0.00 176.54 177.51 1njg h LEU 62 N 0.38 0.00 -0.98 3.11 3.38 0.09 -0.90 115.31 120.39 1njg h LEU 62 Ca 0.10 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.07 1njg h LEU 62 Cb -0.01 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.74 1njg h LEU 62 CO -0.02 0.66 -0.21 0.59 0.09 0.00 0.00 178.44 179.54 1njg n ASN 63 N -3.75 1.58 -4.54 -0.43 3.02 -0.04 -4.61 115.26 106.49 1njg n ASN 63 Ca -0.01 -1.29 -0.47 0.00 -0.03 0.00 0.00 54.58 52.78 1njg n ASN 63 Cb 0.65 0.36 -0.03 0.00 -0.61 0.00 0.00 39.78 40.16 1njg n ASN 63 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1njg h GLU 65 N 2.08 0.00 0.00 0.00 5.08 -1.95 -1.57 114.58 118.21 1njg h GLU 65 Ca -0.38 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.98 1njg h GLU 65 Cb 1.37 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.62 1njg h GLU 65 CO 0.62 0.06 0.00 0.25 -1.00 0.00 0.00 179.01 178.94 1njg n THR 66 N -3.26 0.47 0.00 1.13 -2.24 -1.26 -4.99 114.28 104.13 1njg n THR 66 Ca -0.01 -0.05 0.00 0.00 -2.27 0.00 0.00 64.05 61.72 1njg n THR 66 Cb 0.26 -0.69 0.00 0.00 -2.10 0.00 0.00 70.33 67.80 1njg n THR 66 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1njg n GLY 67 N 1.03 2.84 3.70 3.38 0.00 -0.59 -5.03 105.19 110.52 1njg n GLY 67 Ca 0.05 -1.97 -0.42 0.00 0.00 0.00 0.00 46.02 43.68 1njg n GLY 67 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1njg s ILE 68 N -2.00 2.83 0.10 -0.61 1.01 -1.26 -4.31 121.20 116.97 1njg s ILE 68 Ca 0.00 0.39 -0.23 0.00 0.00 0.00 0.00 60.65 60.81 1njg s ILE 68 Cb 0.00 -3.25 0.06 0.00 0.01 0.00 0.00 42.46 39.28 1njg s ILE 68 CO 0.00 0.01 0.56 0.28 0.00 0.00 0.00 174.94 175.78 1njg s THR 69 N 2.29 0.02 -0.58 2.92 -1.32 -0.34 -4.84 115.64 113.78 1njg s THR 69 Ca 0.74 -0.15 0.24 0.00 -1.21 0.00 0.00 61.69 61.32 1njg s THR 69 Cb -0.42 -1.02 0.15 0.00 -1.51 0.00 0.00 72.50 69.71 1njg s THR 69 CO 0.33 -0.08 1.46 0.00 -2.21 0.00 0.00 174.62 174.11 1njg h ALA 70 N 2.37 0.75 -2.30 11.08 0.00 -1.85 -3.39 119.26 125.92 1njg h ALA 70 Ca -0.32 0.00 -0.60 0.00 0.00 0.00 0.00 54.91 53.98 1njg h ALA 70 Cb 1.26 0.00 -0.42 0.00 0.00 0.00 0.00 17.79 18.63 1njg h ALA 70 CO 0.40 0.00 -0.60 0.25 0.00 0.00 0.00 179.25 179.31 1njg n THR 71 N -2.38 2.23 -1.64 0.00 -2.24 -1.26 -4.20 114.28 104.79 1njg n THR 71 Ca 0.04 -5.16 -0.45 0.00 -2.27 0.00 0.00 64.05 56.20 1njg n THR 71 Cb 0.47 -2.11 -0.03 0.00 -2.10 0.00 0.00 70.33 66.56 1njg n THR 71 CO 0.00 0.00 0.00 -0.81 -0.57 0.00 0.00 175.07 173.69 1njg n PRO 72 N 0.99 1.74 -0.24 -0.78 -0.04 -1.26 -4.89 135.00 130.53 1njg n PRO 72 Ca 0.29 0.62 0.01 0.00 -0.04 0.00 0.00 63.50 64.38 1njg n PRO 72 Cb 0.40 -2.18 0.24 0.00 -0.04 0.00 0.00 33.50 31.93 1njg n PRO 72 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1njg n GLY 74 N -1.42 2.18 0.16 0.00 0.00 -1.26 -4.81 105.19 100.04 1njg n GLY 74 Ca 0.10 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.16 1njg n GLY 74 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 1njg n VAL 75 N -2.00 0.00 -2.04 1.61 0.24 -1.26 -4.18 118.33 110.70 1njg n VAL 75 Ca 0.00 -0.37 -0.28 0.00 -2.04 0.00 0.00 64.34 61.66 1njg n VAL 75 Cb 0.00 1.08 0.08 0.00 -1.47 0.00 0.00 33.84 33.54 1njg n VAL 75 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1njg h ASP 77 N -0.87 0.90 0.06 0.00 3.32 -1.98 -0.88 116.42 116.96 1njg h ASP 77 Ca -0.45 -0.31 0.02 0.00 0.02 0.00 0.00 57.03 56.30 1njg h ASP 77 Cb 1.32 -0.24 -0.02 0.00 0.22 0.00 0.00 39.33 40.60 1njg h ASP 77 CO 0.62 0.99 -0.15 0.78 -1.72 0.00 0.00 179.24 179.76 1njg h ASN 78 N 0.78 -0.43 0.04 6.45 2.35 -1.94 0.12 115.58 122.95 1njg h ASN 78 Ca 0.15 0.06 0.02 0.00 -0.55 0.00 0.00 56.30 55.97 1njg h ASN 78 Cb 0.53 0.17 -0.02 0.00 0.05 0.00 0.00 38.32 39.05 1njg h ASN 78 CO 0.03 -0.22 -0.12 0.00 -1.65 0.00 0.00 177.43 175.47 1njg h ARG 80 N -0.23 1.15 -0.06 0.00 2.47 -1.02 -0.36 114.38 116.33 1njg h ARG 80 Ca 0.03 -0.10 -0.07 0.00 -1.26 0.00 0.00 59.98 58.59 1njg h ARG 80 Cb 0.26 -0.24 0.00 0.00 -1.65 0.00 0.00 29.97 28.34 1njg h ARG 80 CO -0.10 0.80 -0.22 0.93 0.56 0.00 0.00 179.97 181.95 1njg h GLU 81 N 1.17 0.26 -0.44 0.04 5.08 -0.48 -2.83 114.58 117.38 1njg h GLU 81 Ca 0.31 -0.19 0.07 0.00 -1.00 0.00 0.00 59.36 58.54 1njg h GLU 81 Cb -0.06 0.04 -0.02 0.00 0.50 0.00 0.00 28.75 29.20 1njg h GLU 81 CO -0.06 0.83 0.30 0.82 -1.00 0.00 0.00 179.01 179.90 1njg h ILE 82 N -0.26 0.93 0.00 3.13 2.04 0.25 0.15 117.51 123.76 1njg h ILE 82 Ca -0.01 -0.10 -0.06 0.00 1.00 0.00 0.00 64.86 65.69 1njg h ILE 82 Cb 0.85 0.61 -0.01 0.00 -0.74 0.00 0.00 36.82 37.53 1njg h ILE 82 CO 0.05 0.05 -0.27 -0.08 0.00 0.00 0.00 178.15 177.90 1njg h GLU 83 N 0.30 0.00 -0.50 2.37 4.57 -0.97 -2.63 114.58 117.72 1njg h GLU 83 Ca 0.20 0.00 -0.09 0.00 -1.18 0.00 0.00 59.36 58.29 1njg h GLU 83 Cb 0.40 0.00 -0.05 0.00 -0.16 0.00 0.00 28.75 28.93 1njg h GLU 83 CO -0.04 0.27 0.08 1.04 -1.18 0.00 0.00 179.01 179.19 1njg n GLN 84 N -3.46 3.51 -2.13 1.92 6.02 0.44 -4.94 117.38 118.74 1njg n GLN 84 Ca -0.00 -3.04 -0.07 0.00 -0.01 0.00 0.00 57.00 53.88 1njg n GLN 84 Cb 0.45 -2.06 -0.01 0.00 1.02 0.00 0.00 30.24 29.64 1njg n GLN 84 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1njg n GLY 85 N -0.22 -0.19 1.60 1.08 0.00 -0.64 -4.80 105.19 102.02 1njg n GLY 85 Ca 0.31 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 46.17 1njg n GLY 85 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 1njg n ARG 86 N -2.35 2.61 -3.64 1.61 1.85 -0.63 -5.00 116.66 111.10 1njg n ARG 86 Ca -0.08 -3.60 -0.35 0.00 -1.00 0.00 0.00 57.85 52.82 1njg n ARG 86 Cb 0.48 -2.04 -0.05 0.00 -1.05 0.00 0.00 32.46 29.79 1njg n ARG 86 CO 0.00 0.00 0.00 0.12 -0.01 0.00 0.00 177.63 177.74 1njg s PHE 87 N -3.47 3.58 -0.20 2.89 5.36 -1.25 -4.81 117.98 120.08 1njg s PHE 87 Ca 0.49 0.71 0.17 0.00 -0.96 0.00 0.00 56.93 57.34 1njg s PHE 87 Cb 0.42 -2.10 0.08 0.00 -0.34 0.00 0.00 43.02 41.08 1njg s PHE 87 CO 0.00 0.55 1.38 -0.39 -1.46 0.00 0.00 175.22 175.30 1njg h VAL 88 N 2.91 0.67 -0.22 3.12 -1.51 -1.96 -3.25 116.25 116.00 1njg h VAL 88 Ca -0.49 -1.97 0.00 0.00 -1.23 0.00 0.00 66.70 63.00 1njg h VAL 88 Cb 1.19 2.28 0.00 0.00 -2.13 0.00 0.00 31.29 32.64 1njg h VAL 88 CO 0.66 0.38 0.00 0.47 -1.23 0.00 0.00 177.57 177.85 1njg n ASP 89 N -3.15 2.79 -3.97 4.19 8.00 -1.26 -4.58 116.55 118.56 1njg n ASP 89 Ca 0.01 -1.89 -0.31 0.00 0.71 0.00 0.00 54.79 53.31 1njg n ASP 89 Cb 0.71 -0.13 -0.11 0.00 -0.02 0.00 0.00 41.12 41.56 1njg n ASP 89 CO 0.00 0.00 0.00 -0.22 -0.39 0.00 0.00 177.20 176.59 1njg s LEU 90 N -1.68 4.88 -0.33 0.64 2.96 -1.23 0.27 118.68 124.20 1njg s LEU 90 Ca 0.35 -3.50 -0.29 0.00 -0.22 0.00 0.00 54.13 50.46 1njg s LEU 90 Cb 0.21 -1.71 0.01 0.00 0.50 0.00 0.00 46.19 45.19 1njg s LEU 90 CO 0.30 -0.17 1.28 -0.63 -1.32 0.00 0.00 176.35 175.81 1njg s ILE 91 N -0.98 4.16 -0.24 6.68 1.09 0.10 -4.69 121.20 127.32 1njg s ILE 91 Ca 0.22 1.29 -0.15 0.00 -1.10 0.00 0.00 60.65 60.91 1njg s ILE 91 Cb -0.12 -4.23 -0.04 0.00 -1.06 0.00 0.00 42.46 37.01 1njg s ILE 91 CO -0.10 -0.55 0.38 -1.61 -0.10 0.00 0.00 174.94 172.96 1njg s GLU 92 N 4.22 4.08 -0.01 2.79 2.02 -1.26 -1.15 118.70 129.39 1njg s GLU 92 Ca 0.55 0.10 0.08 0.00 0.02 0.00 0.00 54.97 55.72 1njg s GLU 92 Cb -0.15 -3.61 -0.02 0.00 0.10 0.00 0.00 34.13 30.45 1njg s GLU 92 CO 0.24 -0.18 -0.25 0.42 0.02 0.00 0.00 175.26 175.51 1njg s ILE 93 N 1.78 1.98 -0.51 -1.63 1.01 -0.06 -4.98 121.20 118.79 1njg s ILE 93 Ca 0.16 -1.10 0.02 0.00 0.00 0.00 0.00 60.65 59.74 1njg s ILE 93 Cb -0.15 -1.65 0.13 0.00 0.01 0.00 0.00 42.46 40.80 1njg s ILE 93 CO 0.09 0.53 0.26 -0.62 0.00 0.00 0.00 174.94 175.20 1njg s ASP 94 N -0.66 4.59 0.57 3.58 -1.08 -1.26 -1.83 116.67 120.58 1njg s ASP 94 Ca 0.10 -2.82 0.31 0.00 -0.52 0.00 0.00 52.55 49.62 1njg s ASP 94 Cb -0.10 -1.69 1.72 0.00 -1.46 0.00 0.00 42.92 41.39 1njg s ASP 94 CO -0.01 -0.29 2.17 0.00 0.52 0.00 0.00 175.17 177.56 1njg h ALA 95 N 6.82 1.28 0.00 3.66 0.00 -1.79 -2.58 119.26 126.65 1njg h ALA 95 Ca -0.06 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.79 1njg h ALA 95 Cb 0.93 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.71 1njg h ALA 95 CO 0.67 0.07 0.00 0.00 0.00 0.00 0.00 179.25 179.99 1njg n ALA 96 N -2.25 2.15 -3.23 0.00 0.00 -1.26 -4.49 120.51 111.43 1njg n ALA 96 Ca -0.02 -0.11 -0.32 0.00 0.00 0.00 0.00 53.44 52.99 1njg n ALA 96 Cb 0.17 -1.36 -0.17 0.00 0.00 0.00 0.00 19.45 18.09 1njg n ALA 96 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1njg s SER 97 N -2.56 3.25 0.23 0.00 0.15 -0.98 -4.99 113.70 108.80 1njg s SER 97 Ca 0.21 -0.52 0.25 0.00 0.70 0.00 0.00 55.95 56.59 1njg s SER 97 Cb 0.15 -1.45 0.89 0.00 -1.71 0.00 0.00 66.02 63.90 1njg s SER 97 CO 0.34 0.15 1.75 0.54 1.20 0.00 0.00 173.24 177.22 1njg n ARG 98 N 3.57 0.23 0.26 5.44 1.74 -1.26 -3.16 116.66 123.48 1njg n ARG 98 Ca -0.19 0.30 0.09 0.00 -0.77 0.00 0.00 57.85 57.28 1njg n ARG 98 Cb 0.53 -1.83 0.66 0.00 -1.02 0.00 0.00 32.46 30.80 1njg n ARG 98 CO 0.00 0.00 0.00 1.15 -1.52 0.00 0.00 177.63 177.26 1njg h THR 99 N 0.00 0.90 0.00 0.55 2.02 -1.94 -3.09 112.91 111.35 1njg h THR 99 Ca 0.00 -0.28 0.00 0.00 0.77 0.00 0.00 66.41 66.90 1njg h THR 99 Cb 0.58 1.15 0.00 0.00 -1.74 0.00 0.00 68.15 68.14 1njg h THR 99 CO 0.00 0.07 -0.05 0.29 0.37 0.00 0.00 175.52 176.21 1njg n LYS 100 N -4.22 1.36 0.26 6.66 5.02 -1.19 -4.76 118.16 121.30 1njg n LYS 100 Ca -0.03 -2.25 0.17 0.00 -2.02 0.00 0.00 58.31 54.18 1njg n LYS 100 Cb 0.16 -1.32 0.89 0.00 -0.02 0.00 0.00 35.03 34.74 1njg n LYS 100 CO 0.00 0.00 0.00 -0.39 -0.52 0.00 0.00 177.40 176.49 1njg h VAL 101 N 0.72 0.45 0.49 -0.18 -1.51 -1.59 -2.78 116.25 111.86 1njg h VAL 101 Ca 0.00 0.00 -0.02 0.00 -1.23 0.00 0.00 66.70 65.45 1njg h VAL 101 Cb 0.97 0.92 0.00 0.00 -2.13 0.00 0.00 31.29 31.05 1njg h VAL 101 CO 0.00 0.00 -0.24 -0.33 -1.23 0.00 0.00 177.57 175.77 1njg h GLU 102 N 0.00 -0.64 -0.26 5.19 5.08 -1.85 -3.13 114.58 118.96 1njg h GLU 102 Ca 0.04 0.04 -0.10 0.00 -1.00 0.00 0.00 59.36 58.35 1njg h GLU 102 Cb 0.24 0.15 -0.01 0.00 0.50 0.00 0.00 28.75 29.62 1njg h GLU 102 CO -0.00 -0.35 -0.25 0.38 -1.00 0.00 0.00 179.01 177.80 1njg h ASP 103 N -0.87 0.51 0.35 1.42 2.03 -1.88 -3.18 116.42 114.80 1njg h ASP 103 Ca -0.07 -0.17 -0.01 0.00 -0.73 0.00 0.00 57.03 56.05 1njg h ASP 103 Cb 0.59 -0.14 -0.01 0.00 -0.83 0.00 0.00 39.33 38.94 1njg h ASP 103 CO 0.11 0.75 -0.29 0.74 -1.03 0.00 0.00 179.24 179.52 1njg h THR 104 N 0.45 0.00 -0.94 1.15 2.02 -1.55 0.22 112.91 114.25 1njg h THR 104 Ca 0.07 0.00 0.22 0.00 0.77 0.00 0.00 66.41 67.46 1njg h THR 104 Cb 0.67 0.00 -0.12 0.00 -1.74 0.00 0.00 68.15 66.96 1njg h THR 104 CO 0.05 0.00 0.50 0.08 0.37 0.00 0.00 175.52 176.52 1njg h ARG 105 N -0.62 0.52 0.89 6.66 0.11 -1.64 0.32 114.38 120.61 1njg h ARG 105 Ca -0.04 -0.03 -0.04 0.00 0.10 0.00 0.00 59.98 59.96 1njg h ARG 105 Cb 0.53 -0.12 0.01 0.00 1.11 0.00 0.00 29.97 31.50 1njg h ARG 105 CO -0.01 0.34 -0.43 0.22 0.10 0.00 0.00 179.97 180.20 1njg h ASP 106 N 0.53 -1.02 -1.00 0.08 1.82 -1.43 -2.95 116.42 112.45 1njg h ASP 106 Ca 0.59 0.04 0.21 0.00 -0.39 0.00 0.00 57.03 57.47 1njg h ASP 106 Cb 1.06 0.26 -0.10 0.00 0.68 0.00 0.00 39.33 41.24 1njg h ASP 106 CO -0.47 -0.71 0.62 -0.07 -1.61 0.00 0.00 179.24 176.99 1njg h LEU 107 N -1.23 0.68 -1.39 2.28 3.38 0.44 1.14 115.31 120.61 1njg h LEU 107 Ca -0.12 0.09 -0.06 0.00 0.09 0.00 0.00 57.88 57.88 1njg h LEU 107 Cb 0.92 -0.03 -0.01 0.00 0.09 0.00 0.00 40.66 41.63 1njg h LEU 107 CO 0.20 0.22 -0.27 -0.07 0.09 0.00 0.00 178.44 178.61 1njg h LEU 108 N 0.65 0.05 0.00 1.67 -0.00 -0.84 -2.00 115.31 114.84 1njg h LEU 108 Ca 0.58 -0.01 -0.08 0.00 -0.00 0.00 0.00 57.88 58.37 1njg h LEU 108 Cb 1.06 -0.01 -0.01 0.00 -0.00 0.00 0.00 40.66 41.69 1njg h LEU 108 CO -0.36 0.33 -0.54 0.44 -0.00 0.00 0.00 178.44 178.31 1njg h ASP 109 N 0.05 0.00 0.00 -0.43 5.19 -1.05 -3.36 116.42 116.83 1njg h ASP 109 Ca 0.01 -0.39 -0.00 0.00 -0.62 0.00 0.00 57.03 56.02 1njg h ASP 109 Cb 0.51 0.00 -0.00 0.00 0.18 0.00 0.00 39.33 40.02 1njg h ASP 109 CO 0.04 1.00 0.38 0.59 -3.12 0.00 0.00 179.24 178.13 1njg n ASN 110 N -4.59 0.10 -4.55 6.45 3.02 0.38 -4.74 115.26 111.34 1njg n ASN 110 Ca -0.15 -1.42 -0.36 0.00 -0.03 0.00 0.00 54.58 52.63 1njg n ASN 110 Cb 0.40 -0.03 -0.03 0.00 -0.61 0.00 0.00 39.78 39.51 1njg n ASN 110 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 1njg s VAL 111 N 2.75 3.15 -0.20 2.41 1.01 -0.78 -4.68 120.40 124.06 1njg s VAL 111 Ca 0.01 0.07 -0.27 0.00 0.00 0.00 0.00 61.98 61.79 1njg s VAL 111 Cb 0.00 -3.40 -0.31 0.00 0.00 0.00 0.00 36.38 32.67 1njg s VAL 111 CO 0.00 -0.39 1.58 0.00 0.00 0.00 0.00 175.10 176.28 1njg n GLN 112 N 9.07 0.02 0.28 2.72 6.02 -1.26 -4.68 117.38 129.55 1njg n GLN 112 Ca 0.31 -1.02 0.00 0.00 -0.01 0.00 0.00 57.00 56.28 1njg n GLN 112 Cb 0.53 -2.60 0.00 0.00 1.02 0.00 0.00 30.24 29.20 1njg n GLN 112 CO 0.00 0.00 0.00 0.66 -1.01 0.00 0.00 177.06 176.71 1njg n TYR 113 N 10.42 0.00 -3.69 1.08 4.02 -1.26 -4.33 117.16 123.40 1njg n TYR 113 Ca 0.41 0.00 -0.20 0.00 -0.01 0.00 0.00 57.90 58.09 1njg n TYR 113 Cb 0.42 0.00 -0.18 0.00 -0.02 0.00 0.00 39.34 39.56 1njg n TYR 113 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 1njg s ALA 114 N -3.64 0.29 0.91 -0.72 0.00 -1.26 -4.80 121.76 112.54 1njg s ALA 114 Ca 0.00 0.15 -0.15 0.00 0.00 0.00 0.00 51.96 51.95 1njg s ALA 114 Cb 0.00 -0.63 -0.07 0.00 0.00 0.00 0.00 23.12 22.42 1njg s ALA 114 CO 0.00 -0.48 -0.17 -2.30 0.00 0.00 0.00 175.76 172.82 1njg n PRO 115 N 5.25 -0.06 -0.09 0.00 -0.02 -1.26 -4.97 135.00 133.85 1njg n PRO 115 Ca -0.04 0.00 -0.09 0.00 -2.02 0.00 0.00 63.50 61.35 1njg n PRO 115 Cb 0.50 -1.40 -0.03 0.00 -0.02 0.00 0.00 33.50 32.55 1njg n PRO 115 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1njg n ALA 116 N -2.79 0.77 0.00 3.55 0.00 -1.26 -4.87 120.51 115.91 1njg n ALA 116 Ca 0.03 -0.71 0.00 0.00 0.00 0.00 0.00 53.44 52.76 1njg n ALA 116 Cb 0.54 0.02 0.00 0.00 0.00 0.00 0.00 19.45 20.00 1njg n ALA 116 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 177.50 180.39 1njg n ARG 117 N -4.49 1.12 -2.91 0.00 1.85 -1.26 -5.05 116.66 105.91 1njg n ARG 117 Ca -0.15 0.00 -0.27 0.00 -1.00 0.00 0.00 57.85 56.43 1njg n ARG 117 Cb 0.47 -0.97 -0.01 0.00 -1.05 0.00 0.00 32.46 30.91 1njg n ARG 117 CO 0.00 0.00 0.00 0.20 -0.01 0.00 0.00 177.63 177.82 1njg s GLY 118 N -2.08 1.53 0.20 2.89 0.00 -1.26 -4.97 107.32 103.64 1njg s GLY 118 Ca 0.00 -0.59 0.25 0.00 0.00 0.00 0.00 44.72 44.38 1njg s GLY 118 CO 0.00 -0.45 1.75 -0.96 0.00 0.00 0.00 173.10 173.44 1njg n ARG 119 N -1.93 0.21 -4.07 2.90 1.85 -1.26 -4.65 116.66 109.72 1njg n ARG 119 Ca -0.01 0.28 -0.14 0.00 -1.00 0.00 0.00 57.85 56.98 1njg n ARG 119 Cb 0.55 -1.79 -0.13 0.00 -1.05 0.00 0.00 32.46 30.03 1njg n ARG 119 CO 0.00 0.00 0.00 -0.06 -0.01 0.00 0.00 177.63 177.56 1njg s PHE 120 N -3.17 0.40 -0.20 2.89 0.08 -1.26 -4.84 117.98 111.88 1njg s PHE 120 Ca 0.08 -0.19 -0.10 0.00 0.12 0.00 0.00 56.93 56.85 1njg s PHE 120 Cb 0.12 -0.25 -0.05 0.00 -0.57 0.00 0.00 43.02 42.26 1njg s PHE 120 CO 0.50 -0.04 0.13 0.21 -0.10 0.00 0.00 175.22 175.93 1njg s LYS 121 N -0.50 4.17 -0.09 0.44 2.47 -0.18 -4.86 119.74 121.18 1njg s LYS 121 Ca -0.02 -0.23 0.04 0.00 -1.56 0.00 0.00 55.97 54.19 1njg s LYS 121 Cb -0.04 -3.42 0.00 0.00 -1.46 0.00 0.00 37.83 32.92 1njg s LYS 121 CO -0.00 0.28 -0.22 0.08 0.16 0.00 0.00 175.35 175.65 1njg s VAL 122 N 0.42 1.89 -0.25 4.02 1.01 0.78 -1.41 120.40 126.85 1njg s VAL 122 Ca 0.08 -0.92 -0.07 0.00 0.00 0.00 0.00 61.98 61.07 1njg s VAL 122 Cb -0.11 -1.64 -0.02 0.00 0.00 0.00 0.00 36.38 34.61 1njg s VAL 122 CO -0.01 0.52 0.05 -0.31 0.00 0.00 0.00 175.10 175.35 1njg s TYR 123 N 0.40 3.07 -0.41 5.22 1.51 -0.76 0.00 117.35 126.39 1njg s TYR 123 Ca -0.18 -0.63 -0.09 0.00 -1.01 0.00 0.00 57.07 55.16 1njg s TYR 123 Cb -0.18 -2.22 0.07 0.00 -0.11 0.00 0.00 41.96 39.53 1njg s TYR 123 CO 0.08 -0.44 0.24 -1.17 -1.11 0.00 0.00 175.55 173.15 1njg s LEU 124 N 1.57 5.04 -0.42 -1.29 2.96 -0.30 -0.72 118.68 125.52 1njg s LEU 124 Ca 0.06 -1.42 -0.07 0.00 -0.22 0.00 0.00 54.13 52.47 1njg s LEU 124 Cb -0.15 -1.98 0.09 0.00 0.50 0.00 0.00 46.19 44.65 1njg s LEU 124 CO 0.02 -0.50 0.25 -0.63 -1.32 0.00 0.00 176.35 174.17 1njg s ILE 125 N 1.44 3.92 0.38 6.68 1.01 -0.28 -0.88 121.20 133.47 1njg s ILE 125 Ca 0.03 -1.65 -0.24 0.00 0.00 0.00 0.00 60.65 58.79 1njg s ILE 125 Cb -0.22 -3.50 -0.10 0.00 0.01 0.00 0.00 42.46 38.65 1njg s ILE 125 CO 0.03 -0.59 0.97 -0.62 0.00 0.00 0.00 174.94 174.73 1njg s ASP 126 N 2.14 7.05 -1.61 3.58 2.15 -0.76 -1.62 116.67 127.59 1njg s ASP 126 Ca 0.04 1.84 -0.13 0.00 0.43 0.00 0.00 52.55 54.74 1njg s ASP 126 Cb -0.24 -2.57 0.11 0.00 -0.30 0.00 0.00 42.92 39.93 1njg s ASP 126 CO -0.00 -0.28 0.70 -0.62 -0.17 0.00 0.00 175.17 174.80 1njg n GLU 127 N 0.00 -3.38 -0.30 4.34 -0.58 0.52 -2.96 120.64 118.27 1njg n GLU 127 Ca 0.04 0.40 0.28 0.00 -0.42 0.00 0.00 57.16 57.46 1njg n GLU 127 Cb 0.51 -4.97 0.63 0.00 -0.57 0.00 0.00 31.44 27.04 1njg n GLU 127 CO 0.00 0.00 0.00 -0.24 -0.48 0.00 0.00 177.13 176.41 1njg h VAL 128 N -1.64 0.49 0.00 2.62 3.04 -1.47 -0.13 116.25 119.16 1njg h VAL 128 Ca -0.60 -0.07 0.00 0.00 -1.01 0.00 0.00 66.70 65.02 1njg h VAL 128 Cb 1.38 0.28 0.00 0.00 -2.01 0.00 0.00 31.29 30.94 1njg h VAL 128 CO 0.73 0.04 0.00 0.00 -1.01 0.00 0.00 177.57 177.33 1njg n HIS 129 N -4.41 0.00 1.18 3.17 1.44 -1.26 -1.45 115.22 113.89 1njg n HIS 129 Ca 0.24 0.00 0.12 0.00 -2.01 0.00 0.00 57.72 56.08 1njg n HIS 129 Cb 1.02 -0.44 0.25 0.00 0.12 0.00 0.00 29.99 30.95 1njg n HIS 129 CO 0.00 0.00 0.00 -1.33 -2.81 0.00 0.00 176.34 172.20 1njg n MET 130 N -1.44 1.23 -1.67 -1.40 2.81 -0.06 -4.95 117.12 111.65 1njg n MET 130 Ca 0.01 -0.87 -0.39 0.00 -1.81 0.00 0.00 57.70 54.64 1njg n MET 130 Cb 0.05 -1.48 0.03 0.00 -0.71 0.00 0.00 33.22 31.11 1njg n MET 130 CO 0.00 0.00 0.00 1.28 1.51 0.00 0.00 175.97 178.76 1njg n LEU 131 N -0.12 4.19 -4.78 4.03 4.77 -0.53 -4.77 117.00 119.79 1njg n LEU 131 Ca 0.12 0.96 -0.35 0.00 -0.03 0.00 0.00 56.01 56.72 1njg n LEU 131 Cb 0.41 -1.47 -0.01 0.00 -2.33 0.00 0.00 43.42 40.02 1njg n LEU 131 CO 0.24 -1.13 0.77 -0.44 -1.33 0.00 0.00 177.39 175.50 1njg s SER 132 N -0.91 6.01 0.51 -1.43 0.01 -1.26 -4.77 113.70 111.85 1njg s SER 132 Ca 0.69 2.11 0.09 0.00 1.31 0.00 0.00 55.95 60.16 1njg s SER 132 Cb -0.46 -2.58 0.32 0.00 0.21 0.00 0.00 66.02 63.51 1njg s SER 132 CO 0.52 -1.02 0.90 0.54 0.41 0.00 0.00 173.24 174.59 1njg n ARG 133 N -1.04 0.02 -0.05 12.44 5.12 -1.26 0.05 116.66 131.93 1njg n ARG 133 Ca 0.10 0.78 -0.01 0.00 -1.93 0.00 0.00 57.85 56.79 1njg n ARG 133 Cb 0.51 -2.03 -0.01 0.00 -1.16 0.00 0.00 32.46 29.77 1njg n ARG 133 CO 0.00 0.00 0.00 1.25 -1.93 0.00 0.00 177.63 176.95 1njg h HIS 134 N 0.00 0.00 -0.03 -1.55 2.76 -2.01 -3.29 115.15 111.03 1njg h HIS 134 Ca 0.17 0.00 0.01 0.00 -2.20 0.00 0.00 60.37 58.35 1njg h HIS 134 Cb 1.92 0.00 -0.00 0.00 1.55 0.00 0.00 27.41 30.88 1njg h HIS 134 CO 0.00 0.08 0.08 0.66 -1.30 0.00 0.00 177.93 177.46 1njg h SER 135 N -1.00 0.00 0.04 3.26 4.64 -0.72 -2.70 113.55 117.07 1njg h SER 135 Ca -0.00 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1njg h SER 135 Cb 0.11 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.20 1njg h SER 135 CO -0.00 0.00 -0.02 0.15 -0.87 0.00 0.00 176.83 176.09 1njg h PHE 136 N 0.00 -0.05 -0.32 4.77 3.57 -1.65 -2.46 116.94 120.80 1njg h PHE 136 Ca 0.01 -0.00 0.04 0.00 3.53 0.00 0.00 57.97 61.55 1njg h PHE 136 Cb 0.18 0.02 -0.03 0.00 2.79 0.00 0.00 35.95 38.90 1njg h PHE 136 CO 0.00 0.60 0.11 -0.91 -2.23 0.00 0.00 178.31 175.88 1njg h ASN 137 N -0.77 0.11 -0.06 0.41 -0.26 -1.55 3.78 115.58 117.25 1njg h ASN 137 Ca -0.01 0.04 -0.01 0.00 -0.56 0.00 0.00 56.30 55.76 1njg h ASN 137 Cb 0.67 0.02 -0.00 0.00 -1.06 0.00 0.00 38.32 37.95 1njg h ASN 137 CO 0.01 0.10 0.01 0.00 -1.06 0.00 0.00 177.43 176.48 1njg h ALA 138 N 1.20 0.08 -0.45 -0.83 0.00 -1.64 0.34 119.26 117.96 1njg h ALA 138 Ca 0.14 -0.15 0.07 0.00 0.00 0.00 0.00 54.91 54.97 1njg h ALA 138 Cb 0.12 -0.02 -0.06 0.00 0.00 0.00 0.00 17.79 17.82 1njg h ALA 138 CO -0.15 -0.27 0.09 1.25 0.00 0.00 0.00 179.25 180.17 1njg h LEU 139 N -0.16 -0.00 -0.92 0.00 6.46 -1.02 0.19 115.31 119.85 1njg h LEU 139 Ca 0.02 0.08 0.10 0.00 -0.12 0.00 0.00 57.88 57.96 1njg h LEU 139 Cb 0.30 0.11 -0.08 0.00 -0.73 0.00 0.00 40.66 40.26 1njg h LEU 139 CO 0.00 0.03 0.56 -0.07 -0.62 0.00 0.00 178.44 178.34 1njg h LEU 140 N 0.22 0.82 -0.73 2.25 3.38 0.77 -1.92 115.31 120.11 1njg h LEU 140 Ca 0.22 0.04 -0.09 0.00 0.09 0.00 0.00 57.88 58.15 1njg h LEU 140 Cb 0.29 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 40.90 1njg h LEU 140 CO -0.30 0.46 -0.04 0.11 0.09 0.00 0.00 178.44 178.77 1njg h LYS 141 N 0.92 0.94 -0.24 1.13 6.56 0.26 -3.22 116.57 122.92 1njg h LYS 141 Ca 0.44 -0.30 -0.20 0.00 -1.06 0.00 0.00 60.65 59.54 1njg h LYS 141 Cb 0.39 -0.09 0.00 0.00 -0.57 0.00 0.00 32.23 31.97 1njg h LYS 141 CO -0.25 0.95 -0.63 1.15 -2.06 0.00 0.00 179.45 178.61 1njg h THR 142 N 0.86 1.28 0.00 -0.16 2.02 -0.27 -2.92 112.91 113.71 1njg h THR 142 Ca 0.15 -1.82 -0.00 0.00 0.77 0.00 0.00 66.41 65.51 1njg h THR 142 Cb 0.56 1.76 -0.00 0.00 -1.74 0.00 0.00 68.15 68.72 1njg h THR 142 CO 0.03 0.59 -0.00 -0.07 0.37 0.00 0.00 175.52 176.44 1njg h LEU 143 N 0.61 0.00 0.11 2.58 4.07 -1.41 -1.27 115.31 120.01 1njg h LEU 143 Ca -0.01 0.00 -0.01 0.00 0.08 0.00 0.00 57.88 57.95 1njg h LEU 143 Cb 1.24 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.98 1njg h LEU 143 CO 0.13 0.00 -0.05 -0.33 -1.08 0.00 0.00 178.44 177.11 1njg h GLU 144 N 0.00 -0.15 -3.40 1.13 5.08 -1.53 -3.40 114.58 112.31 1njg h GLU 144 Ca -0.00 0.01 -0.65 0.00 -1.00 0.00 0.00 59.36 57.72 1njg h GLU 144 Cb 0.03 0.03 -0.40 0.00 0.50 0.00 0.00 28.75 28.91 1njg h GLU 144 CO 0.00 0.26 -0.59 -1.21 -1.00 0.00 0.00 179.01 176.47 1njg s GLU 145 N -2.69 2.07 -0.16 2.33 2.02 -0.85 -5.10 118.70 116.32 1njg s GLU 145 Ca -0.10 -2.63 -0.29 0.00 0.02 0.00 0.00 54.97 51.97 1njg s GLU 145 Cb -0.00 -3.38 -0.00 0.00 0.10 0.00 0.00 34.13 30.85 1njg s GLU 145 CO 0.37 -1.12 0.99 -1.25 0.02 0.00 0.00 175.26 174.27 1njg s PRO 146 N -0.29 4.35 0.34 0.39 0.05 -0.54 -4.66 135.00 134.64 1njg s PRO 146 Ca 0.17 1.33 -0.29 0.00 0.05 0.00 0.00 61.00 62.26 1njg s PRO 146 Cb -0.25 -3.58 -0.11 0.00 0.05 0.00 0.00 34.50 30.61 1njg s PRO 146 CO -0.01 -0.43 1.51 -2.14 0.05 0.00 0.00 177.00 175.99 1njg s PRO 147 N 2.44 4.14 0.35 0.56 0.02 -1.26 -4.90 135.00 136.35 1njg s PRO 147 Ca 0.45 2.54 0.03 0.00 0.02 0.00 0.00 61.00 64.04 1njg s PRO 147 Cb -0.17 -3.00 0.64 0.00 0.02 0.00 0.00 34.50 31.99 1njg s PRO 147 CO 0.13 -0.54 1.98 0.93 -0.33 0.00 0.00 177.00 179.17 1njg h GLU 148 N 3.78 0.75 -0.69 5.54 5.08 -1.96 -2.76 114.58 124.32 1njg h GLU 148 Ca -0.49 -0.07 -0.13 0.00 -1.00 0.00 0.00 59.36 57.67 1njg h GLU 148 Cb 1.23 -0.16 -0.08 0.00 0.50 0.00 0.00 28.75 30.25 1njg h GLU 148 CO 0.70 0.55 0.16 0.72 -1.00 0.00 0.00 179.01 180.14 1njg n HIS 149 N -4.41 2.33 -4.88 4.33 8.25 -1.26 -4.91 115.22 114.67 1njg n HIS 149 Ca 0.05 -1.00 -0.26 0.00 -0.26 0.00 0.00 57.72 56.25 1njg n HIS 149 Cb 0.09 -0.62 -0.16 0.00 1.12 0.00 0.00 29.99 30.42 1njg n HIS 149 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 1njg s VAL 150 N -2.89 1.47 0.08 1.59 1.01 -1.04 -1.01 120.40 119.61 1njg s VAL 150 Ca 0.55 -0.76 0.05 0.00 0.00 0.00 0.00 61.98 61.82 1njg s VAL 150 Cb 0.43 -1.25 -0.03 0.00 0.00 0.00 0.00 36.38 35.53 1njg s VAL 150 CO 0.15 0.42 -0.14 -0.54 0.00 0.00 0.00 175.10 174.98 1njg s LYS 151 N -0.16 0.86 -0.16 2.72 -0.14 -0.50 -4.71 119.74 117.65 1njg s LYS 151 Ca 0.01 -1.00 0.01 0.00 -1.36 0.00 0.00 55.97 53.62 1njg s LYS 151 Cb -0.10 -0.85 0.02 0.00 -1.68 0.00 0.00 37.83 35.22 1njg s LYS 151 CO 0.01 0.18 -0.17 -0.06 -0.76 0.00 0.00 175.35 174.55 1njg s PHE 152 N -1.41 2.43 -0.34 3.18 0.08 -0.64 -1.83 117.98 119.45 1njg s PHE 152 Ca -0.00 -1.36 -0.03 0.00 0.12 0.00 0.00 56.93 55.65 1njg s PHE 152 Cb -0.09 -1.72 0.06 0.00 -0.57 0.00 0.00 43.02 40.70 1njg s PHE 152 CO 0.02 -0.70 0.08 -0.51 -0.10 0.00 0.00 175.22 174.02 1njg s LEU 153 N 1.29 4.38 -0.01 -0.37 1.43 0.11 0.23 118.68 125.73 1njg s LEU 153 Ca 0.02 -1.43 0.00 0.00 -1.03 0.00 0.00 54.13 51.70 1njg s LEU 153 Cb -0.13 -1.79 -0.04 0.00 0.03 0.00 0.00 46.19 44.26 1njg s LEU 153 CO -0.10 -0.36 0.04 -0.76 0.23 0.00 0.00 176.35 175.41 1njg s LEU 154 N 1.27 3.70 -0.01 1.79 1.43 0.74 -1.13 118.68 126.47 1njg s LEU 154 Ca -0.01 0.07 0.03 0.00 -1.03 0.00 0.00 54.13 53.20 1njg s LEU 154 Cb -0.21 -2.13 -0.01 0.00 0.03 0.00 0.00 46.19 43.88 1njg s LEU 154 CO -0.01 0.28 -0.11 0.00 0.23 0.00 0.00 176.35 176.74 1njg s ALA 155 N -1.13 0.94 -0.07 4.21 0.00 -0.64 0.12 121.76 125.18 1njg s ALA 155 Ca 0.21 -0.46 -0.25 0.00 0.00 0.00 0.00 51.96 51.46 1njg s ALA 155 Cb -0.12 -0.26 0.05 0.00 0.00 0.00 0.00 23.12 22.80 1njg s ALA 155 CO 0.12 0.21 0.56 -0.08 0.00 0.00 0.00 175.76 176.57 1njg s THR 156 N -0.17 0.02 -1.96 0.00 -1.32 -0.50 -0.36 115.64 111.35 1njg s THR 156 Ca 0.03 -0.13 0.24 0.00 -1.21 0.00 0.00 61.69 60.62 1njg s THR 156 Cb -0.05 -0.86 0.11 0.00 -1.51 0.00 0.00 72.50 70.18 1njg s THR 156 CO -0.00 -0.07 1.28 0.35 -2.21 0.00 0.00 174.62 173.97 1njg n THR 157 N 1.36 0.00 -3.25 5.08 -2.24 -1.26 -2.75 114.28 111.22 1njg n THR 157 Ca -0.19 -0.21 -0.24 0.00 -2.27 0.00 0.00 64.05 61.13 1njg n THR 157 Cb 0.57 0.93 -0.08 0.00 -2.10 0.00 0.00 70.33 69.65 1njg n THR 157 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 1njg n ASP 158 N -0.23 -0.30 -0.28 3.42 2.03 -1.26 -4.75 116.55 115.18 1njg n ASP 158 Ca 0.11 -2.57 0.09 0.00 0.52 0.00 0.00 54.79 52.93 1njg n ASP 158 Cb 0.42 -0.47 0.24 0.00 -0.72 0.00 0.00 41.12 40.59 1njg n ASP 158 CO 0.00 0.00 0.00 -0.65 -1.92 0.00 0.00 177.20 174.63 1njg h PRO 159 N 4.74 0.38 -0.76 -0.67 0.11 -1.98 -2.22 132.00 131.60 1njg h PRO 159 Ca 0.15 -0.02 0.13 0.00 0.11 0.00 0.00 66.00 66.37 1njg h PRO 159 Cb 0.90 -0.09 -0.05 0.00 0.11 0.00 0.00 31.00 31.87 1njg h PRO 159 CO 0.41 0.25 0.50 1.96 -0.21 0.00 0.00 178.00 180.91 1njg h GLN 160 N 0.39 0.52 0.00 1.05 4.20 -2.00 -1.36 115.11 117.92 1njg h GLN 160 Ca 0.48 -0.03 0.00 0.00 0.06 0.00 0.00 58.65 59.15 1njg h GLN 160 Cb 0.82 -0.12 0.00 0.00 0.30 0.00 0.00 27.48 28.48 1njg h GLN 160 CO -0.48 0.34 0.00 1.63 -0.67 0.00 0.00 178.83 179.65 1njg n LYS 161 N -4.50 0.42 -3.72 1.46 5.02 -0.83 -4.69 118.16 111.32 1njg n LYS 161 Ca 0.14 0.00 -0.34 0.00 -2.02 0.00 0.00 58.31 56.09 1njg n LYS 161 Cb 0.45 -1.47 -0.05 0.00 -0.02 0.00 0.00 35.03 33.94 1njg n LYS 161 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1njg s LEU 162 N -1.94 4.35 0.73 -0.35 1.43 -0.51 -4.95 118.68 117.45 1njg s LEU 162 Ca 0.19 0.59 -0.15 0.00 -1.03 0.00 0.00 54.13 53.73 1njg s LEU 162 Cb 0.09 -2.84 0.04 0.00 0.03 0.00 0.00 46.19 43.50 1njg s LEU 162 CO 0.15 0.20 1.24 -2.84 0.23 0.00 0.00 176.35 175.33 1njg s PRO 163 N -1.96 2.08 0.52 1.29 0.02 -1.26 -4.83 135.00 130.86 1njg s PRO 163 Ca 0.31 1.87 0.30 0.00 0.02 0.00 0.00 61.00 63.50 1njg s PRO 163 Cb -0.13 -1.81 1.34 0.00 0.02 0.00 0.00 34.50 33.91 1njg s PRO 163 CO 0.18 -1.90 1.99 -0.24 -0.33 0.00 0.00 177.00 176.70 1njg h VAL 164 N -0.23 0.33 0.00 3.83 3.04 -1.97 -2.34 116.25 118.92 1njg h VAL 164 Ca -0.48 -0.67 -0.01 0.00 -1.01 0.00 0.00 66.70 64.52 1njg h VAL 164 Cb 1.31 1.51 -0.00 0.00 -2.01 0.00 0.00 31.29 32.09 1njg h VAL 164 CO 0.49 0.10 -0.07 0.71 -1.01 0.00 0.00 177.57 177.80 1njg h THR 165 N 0.00 0.18 0.04 3.17 1.35 -1.98 -0.77 112.91 114.91 1njg h THR 165 Ca -0.00 -0.68 -0.36 0.00 -0.55 0.00 0.00 66.41 64.82 1njg h THR 165 Cb 0.50 1.57 -0.05 0.00 -1.73 0.00 0.00 68.15 68.44 1njg h THR 165 CO 0.01 0.07 -2.19 -0.38 -0.25 0.00 0.00 175.52 172.78 1njg n ILE 166 N -3.20 1.59 -0.29 6.82 5.41 -0.94 -4.08 119.36 124.67 1njg n ILE 166 Ca 0.00 -0.68 -0.04 0.00 1.00 0.00 0.00 62.75 63.03 1njg n ILE 166 Cb 0.33 -1.32 0.07 0.00 -0.71 0.00 0.00 39.64 38.02 1njg n ILE 166 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 176.55 176.48 1njg h LEU 167 N 0.02 0.95 0.00 1.39 3.38 -1.30 -2.16 115.31 117.59 1njg h LEU 167 Ca -0.48 -0.06 0.00 0.00 0.09 0.00 0.00 57.88 57.43 1njg h LEU 167 Cb 2.02 -0.24 0.00 0.00 0.09 0.00 0.00 40.66 42.53 1njg h LEU 167 CO 0.02 0.73 0.00 -1.20 0.09 0.00 0.00 178.44 178.08 1njg n SER 168 N -4.48 0.00 -0.36 -0.43 7.64 -0.31 -3.24 113.62 112.45 1njg n SER 168 Ca 0.08 -0.21 0.04 0.00 1.01 0.00 0.00 58.87 59.79 1njg n SER 168 Cb 0.05 -0.23 0.06 0.00 -1.01 0.00 0.00 64.21 63.08 1njg n SER 168 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 1njg n ARG 169 N -1.23 1.30 -4.97 1.43 5.12 -0.83 -5.00 116.66 112.47 1njg n ARG 169 Ca 0.13 -1.35 -0.28 0.00 -1.93 0.00 0.00 57.85 54.42 1njg n ARG 169 Cb 0.18 -1.16 -0.15 0.00 -1.16 0.00 0.00 32.46 30.17 1njg n ARG 169 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1njg s LEU 171 N -0.78 4.22 -0.14 0.00 2.96 -1.01 -4.83 118.68 119.09 1njg s LEU 171 Ca 0.09 1.40 -0.07 0.00 -0.22 0.00 0.00 54.13 55.32 1njg s LEU 171 Cb -0.09 -3.44 -0.04 0.00 0.50 0.00 0.00 46.19 43.12 1njg s LEU 171 CO 0.00 -0.43 0.13 -1.58 -1.32 0.00 0.00 176.35 173.14 1njg s GLN 172 N 2.09 3.62 -0.18 1.98 0.74 -1.26 -0.69 119.66 125.96 1njg s GLN 172 Ca 0.44 -0.18 0.00 0.00 0.05 0.00 0.00 55.36 55.68 1njg s GLN 172 Cb -0.17 -3.22 0.01 0.00 1.10 0.00 0.00 33.01 30.72 1njg s GLN 172 CO 0.15 0.64 -0.17 -0.06 -0.55 0.00 0.00 175.29 175.30 1njg s PHE 173 N -0.63 2.79 -0.58 1.67 0.08 0.12 -4.94 117.98 116.50 1njg s PHE 173 Ca 0.13 -1.39 -0.17 0.00 0.12 0.00 0.00 56.93 55.62 1njg s PHE 173 Cb -0.12 -1.93 0.12 0.00 -0.57 0.00 0.00 43.02 40.52 1njg s PHE 173 CO 0.02 -0.68 0.61 -1.01 -0.10 0.00 0.00 175.22 174.06 1njg s HIS 174 N 1.18 3.16 0.19 0.36 3.76 -1.26 -0.91 115.29 121.76 1njg s HIS 174 Ca 0.02 -1.18 -0.30 0.00 -0.15 0.00 0.00 55.06 53.45 1njg s HIS 174 Cb -0.14 -3.90 -0.08 0.00 1.11 0.00 0.00 32.58 29.57 1njg s HIS 174 CO -0.08 -1.15 0.97 -0.51 -0.85 0.00 0.00 174.74 173.13 1njg s LEU 175 N 2.02 4.57 0.20 0.89 2.01 0.75 -4.97 118.68 124.16 1njg s LEU 175 Ca 0.08 1.92 0.08 0.00 0.01 0.00 0.00 54.13 56.22 1njg s LEU 175 Cb -0.26 -3.60 -0.04 0.00 0.01 0.00 0.00 46.19 42.29 1njg s LEU 175 CO 0.04 0.02 -0.04 -0.54 1.01 0.00 0.00 176.35 176.84 1njg s LYS 176 N -0.66 2.25 0.59 1.70 1.02 -1.26 -4.45 119.74 118.92 1njg s LYS 176 Ca 0.44 -1.23 -0.17 0.00 0.02 0.00 0.00 55.97 55.03 1njg s LYS 176 Cb -0.26 -2.24 -0.04 0.00 -0.52 0.00 0.00 37.83 34.78 1njg s LYS 176 CO 0.32 0.43 1.09 0.00 -0.92 0.00 0.00 175.35 176.26 1njg s ALA 177 N -1.85 2.67 0.19 5.17 0.00 -1.26 -4.87 121.76 121.81 1njg s ALA 177 Ca 0.27 0.57 -0.05 0.00 0.00 0.00 0.00 51.96 52.75 1njg s ALA 177 Cb -0.08 -3.29 -0.06 0.00 0.00 0.00 0.00 23.12 19.69 1njg s ALA 177 CO 0.18 -0.87 0.44 -0.51 0.00 0.00 0.00 175.76 175.00 1njg s LEU 178 N -4.30 4.21 0.94 0.00 1.43 -0.78 -5.03 118.68 115.15 1njg s LEU 178 Ca 0.67 0.64 -0.14 0.00 -1.03 0.00 0.00 54.13 54.27 1njg s LEU 178 Cb -0.19 -3.39 0.16 0.00 0.03 0.00 0.00 46.19 42.80 1njg s LEU 178 CO 0.33 -0.02 1.21 1.51 0.23 0.00 0.00 176.35 179.61 1njg s ASP 179 N -2.63 3.28 0.33 2.29 -4.77 -1.26 -4.12 116.67 109.79 1njg s ASP 179 Ca 0.42 0.64 0.05 0.00 -3.30 0.00 0.00 52.55 50.36 1njg s ASP 179 Cb -0.12 -0.97 0.59 0.00 -1.09 0.00 0.00 42.92 41.33 1njg s ASP 179 CO 0.25 -2.66 1.84 0.58 0.70 0.00 0.00 175.17 175.88 1njg h VAL 180 N -1.58 1.21 -0.35 2.11 2.07 -1.99 -3.16 116.25 114.57 1njg h VAL 180 Ca -0.47 -0.92 -0.04 0.00 0.82 0.00 0.00 66.70 66.09 1njg h VAL 180 Cb 1.29 1.12 -0.01 0.00 -1.52 0.00 0.00 31.29 32.17 1njg h VAL 180 CO 0.51 0.30 0.05 -0.33 0.02 0.00 0.00 177.57 178.13 1njg h GLU 181 N 0.42 0.57 -0.92 1.57 4.39 -1.96 0.19 114.58 118.84 1njg h GLU 181 Ca 0.08 -0.16 0.06 0.00 0.34 0.00 0.00 59.36 59.68 1njg h GLU 181 Cb 0.43 -0.07 -0.06 0.00 -0.10 0.00 0.00 28.75 28.96 1njg h GLU 181 CO 0.02 0.65 0.59 1.96 -1.16 0.00 0.00 179.01 181.08 1njg h GLN 182 N 0.41 1.05 -0.17 2.33 4.20 -1.93 0.30 115.11 121.30 1njg h GLN 182 Ca 0.10 -0.06 -0.08 0.00 0.06 0.00 0.00 58.65 58.67 1njg h GLN 182 Cb 0.36 -0.24 -0.00 0.00 0.30 0.00 0.00 27.48 27.90 1njg h GLN 182 CO 0.01 0.70 -0.21 0.82 -0.67 0.00 0.00 178.83 179.47 1njg h ILE 183 N 1.08 1.34 0.12 2.54 2.04 -1.47 -2.68 117.51 120.49 1njg h ILE 183 Ca 0.39 -1.40 -0.01 0.00 1.00 0.00 0.00 64.86 64.85 1njg h ILE 183 Cb 0.14 1.86 0.00 0.00 -0.74 0.00 0.00 36.82 38.08 1njg h ILE 183 CO -0.16 0.42 -0.06 -0.09 0.00 0.00 0.00 178.15 178.26 1njg h ARG 184 N 0.09 -0.16 -0.84 2.37 2.43 -0.09 -1.41 114.38 116.76 1njg h ARG 184 Ca 0.02 0.01 0.07 0.00 -0.81 0.00 0.00 59.98 59.28 1njg h ARG 184 Cb 0.77 0.04 -0.07 0.00 -0.42 0.00 0.00 29.97 30.29 1njg h ARG 184 CO 0.05 -0.10 0.51 1.25 -1.51 0.00 0.00 179.97 180.18 1njg h HIS 185 N -0.17 0.94 -0.22 2.20 2.76 -0.47 -1.10 115.15 119.09 1njg h HIS 185 Ca -0.02 0.03 -0.02 0.00 -2.20 0.00 0.00 60.37 58.16 1njg h HIS 185 Cb 0.13 -0.30 -0.01 0.00 1.55 0.00 0.00 27.41 28.78 1njg h HIS 185 CO -0.07 0.45 0.06 0.37 -1.30 0.00 0.00 177.93 177.44 1njg h GLN 186 N 0.91 0.35 -0.62 5.26 5.75 -1.32 -1.57 115.11 123.87 1njg h GLN 186 Ca 0.38 -0.08 0.10 0.00 -0.15 0.00 0.00 58.65 58.90 1njg h GLN 186 Cb 0.24 -0.05 -0.07 0.00 1.07 0.00 0.00 27.48 28.67 1njg h GLN 186 CO -0.20 0.45 0.22 -0.07 -2.65 0.00 0.00 178.83 176.59 1njg h LEU 187 N 0.18 0.20 -0.42 -2.39 3.38 -0.50 0.16 115.31 115.92 1njg h LEU 187 Ca 0.07 0.08 -0.08 0.00 0.09 0.00 0.00 57.88 58.05 1njg h LEU 187 Cb 0.26 0.07 -0.01 0.00 0.09 0.00 0.00 40.66 41.06 1njg h LEU 187 CO -0.00 0.12 -0.04 -0.08 0.09 0.00 0.00 178.44 178.53 1njg h GLU 188 N 0.39 0.78 -0.88 1.13 4.81 -1.10 -2.05 114.58 117.67 1njg h GLU 188 Ca 0.31 -0.27 -0.02 0.00 -0.13 0.00 0.00 59.36 59.26 1njg h GLU 188 Cb 0.40 -0.06 -0.04 0.00 0.63 0.00 0.00 28.75 29.68 1njg h GLU 188 CO -0.32 0.87 0.47 1.25 -0.73 0.00 0.00 179.01 180.54 1njg h HIS 189 N 0.61 1.22 0.28 0.92 2.76 -0.58 -2.03 115.15 118.32 1njg h HIS 189 Ca 0.12 -0.04 -0.01 0.00 -2.20 0.00 0.00 60.37 58.24 1njg h HIS 189 Cb 0.54 -0.39 0.00 0.00 1.55 0.00 0.00 27.41 29.12 1njg h HIS 189 CO 0.04 0.85 -0.14 0.82 -1.30 0.00 0.00 177.93 178.21 1njg h ILE 190 N 1.23 0.76 0.00 6.26 2.04 -0.56 -2.39 117.51 124.85 1njg h ILE 190 Ca 0.31 -0.47 -0.00 0.00 1.00 0.00 0.00 64.86 65.70 1njg h ILE 190 Cb 0.05 1.01 -0.00 0.00 -0.74 0.00 0.00 36.82 37.14 1njg h ILE 190 CO -0.05 0.10 -0.01 -0.07 0.00 0.00 0.00 178.15 178.12 1njg h LEU 191 N -0.63 0.00 -0.01 1.44 3.38 -1.31 -1.09 115.31 117.10 1njg h LEU 191 Ca -0.04 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.90 1njg h LEU 191 Cb 0.45 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.20 1njg h LEU 191 CO 0.06 0.01 -0.12 0.78 0.09 0.00 0.00 178.44 179.26 1njg h ASN 192 N 0.00 0.12 -0.71 -0.43 2.35 -1.28 0.47 115.58 116.10 1njg h ASN 192 Ca -0.00 -0.73 0.12 0.00 -0.55 0.00 0.00 56.30 55.13 1njg h ASN 192 Cb 0.02 -0.04 -0.05 0.00 0.05 0.00 0.00 38.32 38.31 1njg h ASN 192 CO 0.00 0.84 0.47 -0.33 -1.65 0.00 0.00 177.43 176.76 1njg h GLU 193 N -0.58 0.48 -0.00 0.81 4.39 -0.98 0.15 114.58 118.85 1njg h GLU 193 Ca -0.01 -0.03 0.00 0.00 0.34 0.00 0.00 59.36 59.66 1njg h GLU 193 Cb 0.85 -0.11 0.00 0.00 -0.10 0.00 0.00 28.75 29.39 1njg h GLU 193 CO 0.02 0.32 -0.21 0.39 -1.16 0.00 0.00 179.01 178.37 1njg n GLU 194 N -4.48 0.01 -2.86 2.33 -0.58 -0.45 -4.93 120.64 109.68 1njg n GLU 194 Ca 0.12 -0.00 -0.15 0.00 -0.42 0.00 0.00 57.16 56.71 1njg n GLU 194 Cb 0.42 -1.50 0.03 0.00 -0.57 0.00 0.00 31.44 29.82 1njg n GLU 194 CO 0.00 0.00 0.00 0.72 -0.48 0.00 0.00 177.13 177.37 1njg n HIS 195 N -1.49 -1.45 -4.05 -0.32 8.25 0.52 -5.00 115.22 111.69 1njg n HIS 195 Ca 0.07 0.42 -0.35 0.00 -0.26 0.00 0.00 57.72 57.59 1njg n HIS 195 Cb 0.34 -3.44 -0.12 0.00 1.12 0.00 0.00 29.99 27.88 1njg n HIS 195 CO 0.00 0.00 0.00 0.42 0.64 0.00 0.00 176.34 177.40 1njg s ILE 196 N -3.02 3.99 0.54 1.59 1.01 0.15 -5.02 121.20 120.45 1njg s ILE 196 Ca 0.24 -0.30 -0.21 0.00 0.00 0.00 0.00 60.65 60.38 1njg s ILE 196 Cb -0.11 -2.81 -0.05 0.00 0.01 0.00 0.00 42.46 39.50 1njg s ILE 196 CO 0.30 0.42 1.27 0.00 0.00 0.00 0.00 174.94 176.93 1njg n ALA 197 N 4.28 1.26 -3.57 9.38 0.00 -1.26 -4.53 120.51 126.08 1njg n ALA 197 Ca -0.17 0.12 -0.12 0.00 0.00 0.00 0.00 53.44 53.27 1njg n ALA 197 Cb 0.52 -2.30 -0.08 0.00 0.00 0.00 0.00 19.45 17.59 1njg n ALA 197 CO 0.00 0.00 0.00 -3.38 0.00 0.00 0.00 177.50 174.12 1njg s HIS 198 N -1.32 -0.76 0.16 0.00 -3.43 -1.26 -1.42 115.29 107.27 1njg s HIS 198 Ca 0.72 1.74 -0.06 0.00 -0.80 0.00 0.00 55.06 56.65 1njg s HIS 198 Cb -0.43 0.32 -0.06 0.00 -1.43 0.00 0.00 32.58 30.98 1njg s HIS 198 CO 0.49 -0.37 0.43 -1.21 -2.00 0.00 0.00 174.74 172.08 1njg s GLU 199 N 0.71 3.68 0.03 -0.38 2.02 -0.68 -5.00 118.70 119.07 1njg s GLU 199 Ca -0.03 0.03 -0.13 0.00 0.02 0.00 0.00 54.97 54.86 1njg s GLU 199 Cb -0.05 -2.80 -0.06 0.00 0.10 0.00 0.00 34.13 31.32 1njg s GLU 199 CO -0.05 0.43 1.20 -1.35 0.02 0.00 0.00 175.26 175.51 1njg h PRO 200 N 2.81 -0.35 -0.70 0.39 0.11 -2.01 -3.00 132.00 129.26 1njg h PRO 200 Ca -0.46 0.02 0.16 0.00 0.11 0.00 0.00 66.00 65.83 1njg h PRO 200 Cb 1.17 0.08 -0.04 0.00 0.11 0.00 0.00 31.00 32.32 1njg h PRO 200 CO 0.71 -0.23 0.48 -0.09 -0.21 0.00 0.00 178.00 178.66 1njg h ARG 201 N -0.36 0.24 -0.38 1.05 2.43 -1.98 -0.67 114.38 114.72 1njg h ARG 201 Ca -0.02 -0.01 0.05 0.00 -0.81 0.00 0.00 59.98 59.19 1njg h ARG 201 Cb 0.31 -0.06 -0.05 0.00 -0.42 0.00 0.00 29.97 29.76 1njg h ARG 201 CO -0.03 0.16 0.09 0.00 -1.51 0.00 0.00 179.97 178.69 1njg h ALA 202 N 1.67 0.42 0.00 2.80 0.00 -1.86 0.19 119.26 122.48 1njg h ALA 202 Ca 0.34 0.06 -0.08 0.00 0.00 0.00 0.00 54.91 55.23 1njg h ALA 202 Cb 0.97 0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.82 1njg h ALA 202 CO -0.08 -0.30 -0.39 -0.07 0.00 0.00 0.00 179.25 178.41 1njg h LEU 203 N 0.23 0.00 -0.32 0.00 3.38 -1.00 -1.32 115.31 116.28 1njg h LEU 203 Ca 0.18 0.00 -0.16 0.00 0.09 0.00 0.00 57.88 57.99 1njg h LEU 203 Cb 0.19 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.94 1njg h LEU 203 CO -0.22 0.39 -0.44 -0.61 0.09 0.00 0.00 178.44 177.66 1njg h GLN 204 N 0.00 0.86 -0.57 1.13 5.75 -0.84 -0.09 115.11 121.35 1njg h GLN 204 Ca -0.00 -0.50 -0.07 0.00 -0.15 0.00 0.00 58.65 57.93 1njg h GLN 204 Cb 0.70 0.04 -0.02 0.00 1.07 0.00 0.00 27.48 29.26 1njg h GLN 204 CO 0.05 1.14 0.09 -0.07 -2.65 0.00 0.00 178.83 177.39 1njg h LEU 205 N 0.65 0.87 -0.66 -2.39 3.38 -0.29 0.61 115.31 117.48 1njg h LEU 205 Ca 0.04 -0.19 -0.13 0.00 0.09 0.00 0.00 57.88 57.69 1njg h LEU 205 Cb 1.04 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 41.55 1njg h LEU 205 CO 0.10 0.87 -0.37 -0.07 0.09 0.00 0.00 178.44 179.07 1njg h LEU 206 N 0.87 0.67 0.06 1.67 3.38 -1.05 -1.64 115.31 119.26 1njg h LEU 206 Ca 0.18 -0.29 -0.28 0.00 0.09 0.00 0.00 57.88 57.58 1njg h LEU 206 Cb 0.38 -0.19 0.02 0.00 0.09 0.00 0.00 40.66 40.97 1njg h LEU 206 CO 0.01 0.97 -1.17 0.00 0.09 0.00 0.00 178.44 178.34 1njg h ALA 207 N 1.06 0.06 -0.46 1.53 0.00 -0.58 -1.40 119.26 119.48 1njg h ALA 207 Ca 0.05 -0.75 -0.07 0.00 0.00 0.00 0.00 54.91 54.15 1njg h ALA 207 Cb 0.88 0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.73 1njg h ALA 207 CO 0.08 0.71 0.01 0.00 0.00 0.00 0.00 179.25 180.04 1njg h ARG 208 N 0.31 0.76 -0.06 0.00 3.08 -0.92 -3.05 114.38 114.50 1njg h ARG 208 Ca -0.16 -0.19 -0.01 0.00 0.07 0.00 0.00 59.98 59.69 1njg h ARG 208 Cb 1.83 -0.09 -0.00 0.00 0.08 0.00 0.00 29.97 31.78 1njg h ARG 208 CO 0.22 0.76 0.01 0.00 -1.07 0.00 0.00 179.97 179.89 1njg h ALA 209 N 1.30 0.08 -1.26 0.04 0.00 -1.24 -3.11 119.26 115.07 1njg h ALA 209 Ca 0.14 -0.13 0.36 0.00 0.00 0.00 0.00 54.91 55.29 1njg h ALA 209 Cb 0.42 -0.02 -0.05 0.00 0.00 0.00 0.00 17.79 18.14 1njg h ALA 209 CO 0.02 -0.29 0.94 0.00 0.00 0.00 0.00 179.25 179.92 1njg h ALA 210 N 0.79 3.18 -5.92 0.00 0.00 -1.13 -3.46 119.26 112.72 1njg h ALA 210 Ca 0.02 -0.04 -0.38 0.00 0.00 0.00 0.00 54.91 54.50 1njg h ALA 210 Cb 0.25 0.09 0.10 0.00 0.00 0.00 0.00 17.79 18.24 1njg h ALA 210 CO 0.00 -1.59 -0.80 0.39 0.00 0.00 0.00 179.25 177.25 1njg n GLU 211 N -4.05 -5.62 0.00 0.00 1.02 -1.18 -3.14 120.64 107.67 1njg n GLU 211 Ca 0.27 0.71 0.00 0.00 -0.02 0.00 0.00 57.16 58.12 1njg n GLU 211 Cb 1.35 -5.46 0.00 0.00 -0.02 0.00 0.00 31.44 27.31 1njg n GLU 211 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1njg n GLY 212 N -1.41 2.78 3.68 0.62 0.00 -1.26 -4.94 105.19 104.66 1njg n GLY 212 Ca -0.29 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.37 1njg n GLY 212 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1njg s SER 213 N -1.42 6.21 0.33 1.61 0.15 -1.19 -1.87 113.70 117.53 1njg s SER 213 Ca 0.00 0.23 0.19 0.00 0.70 0.00 0.00 55.95 57.08 1njg s SER 213 Cb 0.00 -2.13 0.17 0.00 -1.71 0.00 0.00 66.02 62.35 1njg s SER 213 CO 0.00 0.05 1.44 0.25 1.20 0.00 0.00 173.24 176.19 1njg h LEU 214 N 7.37 0.00 -0.25 3.45 5.85 -1.91 -1.72 115.31 128.10 1njg h LEU 214 Ca -0.38 0.00 -0.14 0.00 0.84 0.00 0.00 57.88 58.20 1njg h LEU 214 Cb 1.17 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 42.19 1njg h LEU 214 CO 0.69 0.23 -0.38 -0.09 -0.34 0.00 0.00 178.44 178.55 1njg h ARG 215 N 0.00 0.69 0.00 1.25 2.43 -1.93 -2.53 114.38 114.29 1njg h ARG 215 Ca -0.01 -0.42 -0.05 0.00 -0.81 0.00 0.00 59.98 58.69 1njg h ARG 215 Cb 1.19 0.04 -0.01 0.00 -0.42 0.00 0.00 29.97 30.77 1njg h ARG 215 CO 0.03 1.04 -0.34 -0.44 -1.51 0.00 0.00 179.97 178.75 1njg h ASP 216 N 0.42 0.00 -0.84 -3.80 3.32 -1.87 -2.93 116.42 110.72 1njg h ASP 216 Ca 0.02 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 57.06 1njg h ASP 216 Cb 0.98 0.00 -0.04 0.00 0.22 0.00 0.00 39.33 40.49 1njg h ASP 216 CO 0.09 0.25 0.48 0.00 -1.72 0.00 0.00 179.24 178.34 1njg h ALA 217 N 1.75 1.25 -0.06 3.45 0.00 -1.14 -1.91 119.26 122.59 1njg h ALA 217 Ca -0.01 -0.12 -0.15 0.00 0.00 0.00 0.00 54.91 54.64 1njg h ALA 217 Cb 1.20 -0.34 0.01 0.00 0.00 0.00 0.00 17.79 18.65 1njg h ALA 217 CO 0.03 0.62 -0.54 -0.07 0.00 0.00 0.00 179.25 179.29 1njg h LEU 218 N 1.18 0.58 0.28 0.00 3.38 -1.41 -2.48 115.31 116.84 1njg h LEU 218 Ca 0.30 -0.69 0.00 0.00 0.09 0.00 0.00 57.88 57.59 1njg h LEU 218 Cb 0.00 -0.17 -0.03 0.00 0.09 0.00 0.00 40.66 40.55 1njg h LEU 218 CO -0.05 1.18 -0.33 0.28 0.09 0.00 0.00 178.44 179.61 1njg h SER 219 N 0.03 -0.89 -0.44 -0.43 0.02 -1.35 -0.77 113.55 109.71 1njg h SER 219 Ca -0.05 0.08 0.09 0.00 -0.84 0.00 0.00 61.79 61.08 1njg h SER 219 Cb 1.21 0.31 -0.09 0.00 0.14 0.00 0.00 62.40 63.97 1njg h SER 219 CO 0.11 -0.45 -0.18 -0.07 -1.14 0.00 0.00 176.83 175.10 1njg h LEU 220 N -0.65 -0.62 -0.80 5.07 3.38 -1.43 0.34 115.31 120.60 1njg h LEU 220 Ca -0.01 0.16 0.12 0.00 0.09 0.00 0.00 57.88 58.24 1njg h LEU 220 Cb 0.61 0.35 -0.08 0.00 0.09 0.00 0.00 40.66 41.63 1njg h LEU 220 CO -0.09 -0.21 0.41 0.74 0.09 0.00 0.00 178.44 179.37 1njg h THR 221 N -0.09 0.78 -0.57 0.22 2.02 -0.98 0.16 112.91 114.45 1njg h THR 221 Ca 0.21 -0.21 -0.09 0.00 0.77 0.00 0.00 66.41 67.09 1njg h THR 221 Cb 0.41 0.10 -0.02 0.00 -1.74 0.00 0.00 68.15 66.90 1njg h THR 221 CO -0.50 0.11 0.01 0.44 0.37 0.00 0.00 175.52 175.95 1njg h ASP 222 N 0.63 0.96 0.00 4.18 3.32 0.53 0.38 116.42 126.42 1njg h ASP 222 Ca 0.42 -0.26 0.00 0.00 0.02 0.00 0.00 57.03 57.21 1njg h ASP 222 Cb 0.53 -0.26 0.00 0.00 0.22 0.00 0.00 39.33 39.82 1njg h ASP 222 CO -0.32 1.01 0.00 0.00 -1.72 0.00 0.00 179.24 178.20 1njg n GLN 223 N -4.19 0.98 -0.02 3.56 6.02 0.10 -2.00 117.38 121.82 1njg n GLN 223 Ca 0.03 0.00 -0.03 0.00 -0.01 0.00 0.00 57.00 56.99 1njg n GLN 223 Cb 0.33 -1.13 -0.03 0.00 1.02 0.00 0.00 30.24 30.43 1njg n GLN 223 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1njg n ALA 224 N -0.63 1.89 0.26 -1.58 0.00 0.34 -3.94 120.51 116.84 1njg n ALA 224 Ca 0.06 -0.25 0.15 0.00 0.00 0.00 0.00 53.44 53.40 1njg n ALA 224 Cb 0.03 0.29 0.67 0.00 0.00 0.00 0.00 19.45 20.44 1njg n ALA 224 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.50 178.32 1njg h ILE 225 N 0.00 0.26 0.00 0.00 2.04 -0.10 -3.04 117.51 116.67 1njg h ILE 225 Ca -0.12 -0.66 -0.02 0.00 1.00 0.00 0.00 64.86 65.06 1njg h ILE 225 Cb 1.21 1.52 -0.00 0.00 -0.74 0.00 0.00 36.82 38.81 1njg h ILE 225 CO -0.01 0.09 -0.15 0.00 0.00 0.00 0.00 178.15 178.08 1njg h ALA 226 N 1.91 0.03 -3.00 1.87 0.00 -1.62 -3.33 119.26 115.11 1njg h ALA 226 Ca -0.00 -0.44 0.00 0.00 0.00 0.00 0.00 54.91 54.47 1njg h ALA 226 Cb 0.51 0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.40 1njg h ALA 226 CO 0.01 0.09 0.00 0.45 0.00 0.00 0.00 179.25 179.81 1njg n SER 227 N -4.64 0.00 -4.55 0.00 2.88 -1.16 -4.02 113.62 102.14 1njg n SER 227 Ca -0.09 0.00 -0.41 0.00 -1.33 0.00 0.00 58.87 57.03 1njg n SER 227 Cb 0.36 0.00 -0.04 0.00 -0.75 0.00 0.00 64.21 63.78 1njg n SER 227 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1njg n GLY 228 N 0.00 0.51 3.68 0.46 0.00 -1.17 -4.82 105.19 103.84 1njg n GLY 228 Ca 0.00 0.77 -0.46 0.00 0.00 0.00 0.00 46.02 46.33 1njg n GLY 228 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1njg n ASP 229 N 13.21 3.32 0.00 1.61 8.00 -1.26 -3.84 116.55 137.60 1njg n ASP 229 Ca 0.37 1.05 0.00 0.00 0.71 0.00 0.00 54.79 56.91 1njg n ASP 229 Cb 0.44 -1.44 0.00 0.00 -0.02 0.00 0.00 41.12 40.10 1njg n ASP 229 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1njg n GLY 230 N 3.74 1.86 2.86 0.44 0.00 -1.25 -4.99 105.19 107.84 1njg n GLY 230 Ca 0.18 -0.60 -0.22 0.00 0.00 0.00 0.00 46.02 45.38 1njg n GLY 230 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1njg n GLN 231 N 0.00 0.96 -3.12 1.61 6.02 -1.25 -4.79 117.38 116.81 1njg n GLN 231 Ca 0.00 -2.74 -0.42 0.00 -0.01 0.00 0.00 57.00 53.84 1njg n GLN 231 Cb 0.00 0.51 -0.00 0.00 1.02 0.00 0.00 30.24 31.77 1njg n GLN 231 CO 0.00 0.00 0.00 0.28 -1.01 0.00 0.00 177.06 176.33 1njg n VAL 232 N -1.24 4.89 -3.22 5.09 0.31 -0.50 -4.60 118.33 119.06 1njg n VAL 232 Ca -0.09 -5.76 -0.39 0.00 -0.01 0.00 0.00 64.34 58.10 1njg n VAL 232 Cb 0.49 -2.18 -0.06 0.00 -0.91 0.00 0.00 33.84 31.17 1njg n VAL 232 CO 0.00 0.00 0.00 -0.94 -1.32 0.00 0.00 176.83 174.57 1njg s SER 233 N -1.21 6.72 0.34 4.52 1.04 -1.26 -1.69 113.70 122.16 1njg s SER 233 Ca 0.32 0.86 0.24 0.00 0.48 0.00 0.00 55.95 57.85 1njg s SER 233 Cb 0.02 -2.32 1.19 0.00 0.10 0.00 0.00 66.02 65.01 1njg s SER 233 CO 0.06 -0.09 1.28 0.41 0.98 0.00 0.00 173.24 175.87 1njg n THR 234 N 4.01 -0.24 -0.05 2.02 -1.04 -1.26 0.75 114.28 118.47 1njg n THR 234 Ca -0.05 1.52 -0.14 0.00 -2.04 0.00 0.00 64.05 63.34 1njg n THR 234 Cb 0.51 -2.48 -0.02 0.00 -1.82 0.00 0.00 70.33 66.52 1njg n THR 234 CO 0.00 0.00 0.00 0.06 -0.64 0.00 0.00 175.07 174.49 1njg h GLN 235 N 0.00 0.78 0.01 -2.82 3.07 -1.98 -2.41 115.11 111.76 1njg h GLN 235 Ca 0.71 -0.52 0.00 0.00 0.09 0.00 0.00 58.65 58.93 1njg h GLN 235 Cb 2.19 0.07 -0.00 0.00 0.08 0.00 0.00 27.48 29.82 1njg h GLN 235 CO -0.44 1.15 -0.02 0.00 0.09 0.00 0.00 178.83 179.60 1njg h ALA 236 N 0.74 -0.03 0.48 0.06 0.00 -0.05 -1.01 119.26 119.44 1njg h ALA 236 Ca -0.00 0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.89 1njg h ALA 236 Cb 1.19 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 19.01 1njg h ALA 236 CO 0.13 -0.52 -0.41 0.28 0.00 0.00 0.00 179.25 178.72 1njg h VAL 237 N -0.05 0.00 0.00 0.00 2.07 -1.47 0.21 116.25 117.02 1njg h VAL 237 Ca 0.01 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.53 1njg h VAL 237 Cb 0.06 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 29.83 1njg h VAL 237 CO -0.02 0.00 0.00 -1.54 0.02 0.00 0.00 177.57 176.03 1njg n SER 238 N -4.94 0.00 -0.02 0.57 3.41 -0.91 -0.55 113.62 111.18 1njg n SER 238 Ca -0.11 0.44 -0.10 0.00 -0.26 0.00 0.00 58.87 58.85 1njg n SER 238 Cb 0.39 -0.46 -0.14 0.00 -0.26 0.00 0.00 64.21 63.74 1njg n SER 238 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1njg n ALA 239 N -1.46 1.45 0.07 7.33 0.00 -0.39 -3.12 120.51 124.39 1njg n ALA 239 Ca 0.02 -0.76 -0.09 0.00 0.00 0.00 0.00 53.44 52.61 1njg n ALA 239 Cb 0.07 -0.83 -0.12 0.00 0.00 0.00 0.00 19.45 18.57 1njg n ALA 239 CO 0.00 0.00 0.00 1.98 0.00 0.00 0.00 177.50 179.48 1njg h MET 240 N 0.01 0.05 0.00 0.00 -1.53 0.18 -2.09 114.93 111.55 1njg h MET 240 Ca -0.30 -0.08 0.00 0.00 -3.44 0.00 0.00 59.70 55.88 1njg h MET 240 Cb 2.02 0.03 0.00 0.00 -0.55 0.00 0.00 31.60 33.10 1njg h MET 240 CO 0.08 1.04 0.00 1.28 0.14 0.00 0.00 176.91 179.44 1njg n LEU 241 N -3.38 0.03 0.00 3.39 4.77 0.29 -4.94 117.00 117.16 1njg n LEU 241 Ca -0.02 0.51 0.00 0.00 -0.03 0.00 0.00 56.01 56.47 1njg n LEU 241 Cb 0.96 -0.50 0.00 0.00 -2.33 0.00 0.00 43.42 41.54 1njg n LEU 241 CO 0.48 -0.23 0.00 0.61 -1.33 0.00 0.00 177.39 176.92 1njg n GLY 242 N 0.21 0.00 2.37 -0.72 0.00 -0.79 -5.06 105.19 101.20 1njg n GLY 242 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.06 1njg n GLY 242 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73