#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1njg n LEU 6 N 0.00 -0.05 0.00 6.55 4.77 -1.26 0.36 117.00 127.36 1njg n LEU 6 Ca 0.00 0.59 0.02 0.00 -0.03 0.00 0.00 56.01 56.59 1njg n LEU 6 Cb 0.00 -0.21 0.08 0.00 -2.33 0.00 0.00 43.42 40.96 1njg n LEU 6 CO 0.00 -0.59 0.54 0.00 -1.33 0.00 0.00 177.39 176.01 1njg n ALA 7 N -3.54 1.21 -0.01 -1.18 0.00 -1.26 -0.34 120.51 115.39 1njg n ALA 7 Ca 0.08 -0.01 -0.01 0.00 0.00 0.00 0.00 53.44 53.50 1njg n ALA 7 Cb 0.25 -1.06 -0.02 0.00 0.00 0.00 0.00 19.45 18.62 1njg n ALA 7 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 1njg n ARG 8 N -1.46 2.68 0.06 0.00 0.63 1.11 -4.50 116.66 115.18 1njg n ARG 8 Ca 0.01 -0.01 -0.12 0.00 -0.92 0.00 0.00 57.85 56.81 1njg n ARG 8 Cb 0.04 -1.08 -0.02 0.00 0.45 0.00 0.00 32.46 31.85 1njg n ARG 8 CO 0.00 0.00 0.00 -0.22 -2.51 0.00 0.00 177.63 174.90 1njg h LYS 9 N 0.00 0.42 -0.87 -0.14 3.64 -0.67 -3.27 116.57 115.68 1njg h LYS 9 Ca -0.06 -0.41 -0.36 0.00 -1.27 0.00 0.00 60.65 58.55 1njg h LYS 9 Cb 0.93 0.11 -0.21 0.00 -0.41 0.00 0.00 32.23 32.65 1njg h LYS 9 CO 0.00 1.07 0.45 0.91 -2.27 0.00 0.00 179.45 179.61 1njg n TRP 10 N -3.78 2.77 -2.39 1.91 7.02 0.54 -4.96 117.44 118.55 1njg n TRP 10 Ca -0.06 -1.50 -0.41 0.00 -1.02 0.00 0.00 57.50 54.51 1njg n TRP 10 Cb 0.79 -0.81 -0.03 0.00 -2.42 0.00 0.00 31.31 28.83 1njg n TRP 10 CO 0.00 0.00 0.00 0.50 -2.02 0.00 0.00 177.69 176.17 1njg s ARG 11 N -3.14 4.50 0.28 -0.99 3.52 -1.24 -4.95 118.95 116.94 1njg s ARG 11 Ca 0.56 1.86 -0.29 0.00 -0.13 0.00 0.00 55.73 57.73 1njg s ARG 11 Cb 0.46 -3.25 -0.13 0.00 -1.56 0.00 0.00 34.95 30.47 1njg s ARG 11 CO 0.13 -0.09 1.24 -2.30 -0.81 0.00 0.00 175.30 173.46 1njg n PRO 12 N 2.59 1.81 -0.00 5.12 -0.02 -1.26 -4.88 135.00 138.34 1njg n PRO 12 Ca 0.04 0.64 0.05 0.00 -2.02 0.00 0.00 63.50 62.21 1njg n PRO 12 Cb 0.45 -2.17 -0.07 0.00 -0.02 0.00 0.00 33.50 31.69 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 1.12 0.84 -3.79 -0.52 1.13 -1.26 -5.04 117.38 109.87 1njg n GLN 13 Ca 0.09 -0.07 -0.10 0.00 -1.94 0.00 0.00 57.00 54.98 1njg n GLN 13 Cb 0.33 -1.17 -0.06 0.00 0.11 0.00 0.00 30.24 29.45 1njg n GLN 13 CO 0.00 0.00 0.00 0.95 -1.44 0.00 0.00 177.06 176.57 1njg s THR 14 N -2.52 0.07 0.38 5.09 -4.23 -1.26 -4.74 115.64 108.43 1njg s THR 14 Ca -0.02 -0.96 0.13 0.00 -1.18 0.00 0.00 61.69 59.66 1njg s THR 14 Cb 0.06 -1.48 0.35 0.00 1.34 0.00 0.00 72.50 72.77 1njg s THR 14 CO 0.38 -0.33 1.83 -0.26 -0.54 0.00 0.00 174.62 175.70 1njg h PHE 15 N 2.44 0.73 0.00 3.99 0.04 -1.92 0.73 116.94 122.95 1njg h PHE 15 Ca -0.32 0.02 -0.01 0.00 2.80 0.00 0.00 57.97 60.46 1njg h PHE 15 Cb 1.24 -0.22 -0.00 0.00 2.20 0.00 0.00 35.95 39.17 1njg h PHE 15 CO 0.37 0.19 -0.03 0.00 -0.60 0.00 0.00 178.31 178.23 1njg h ALA 16 N 1.62 1.48 0.00 2.45 0.00 -1.96 -1.73 119.26 121.12 1njg h ALA 16 Ca 0.50 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.38 1njg h ALA 16 Cb 1.06 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.84 1njg h ALA 16 CO -0.24 0.04 -0.13 -0.25 0.00 0.00 0.00 179.25 178.68 1njg n ASP 17 N -3.83 0.28 -4.76 0.00 8.00 0.25 -4.86 116.55 111.63 1njg n ASP 17 Ca -0.03 0.36 -0.40 0.00 0.71 0.00 0.00 54.79 55.44 1njg n ASP 17 Cb 0.12 -0.39 -0.05 0.00 -0.02 0.00 0.00 41.12 40.79 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 -3.03 3.60 -0.13 2.53 1.01 -0.65 -4.77 120.40 118.95 1njg s VAL 18 Ca 0.12 1.59 -0.18 0.00 0.00 0.00 0.00 61.98 63.52 1njg s VAL 18 Cb 0.17 -4.01 -0.04 0.00 0.00 0.00 0.00 36.38 32.50 1njg s VAL 18 CO 0.58 0.37 0.46 -0.69 0.00 0.00 0.00 175.10 175.82 1njg s VAL 19 N -1.19 5.19 0.00 2.92 1.01 -1.26 -4.93 120.40 122.14 1njg s VAL 19 Ca 0.44 0.91 0.00 0.00 0.00 0.00 0.00 61.98 63.34 1njg s VAL 19 Cb -0.30 -3.80 0.00 0.00 0.00 0.00 0.00 36.38 32.27 1njg s VAL 19 CO 0.39 0.32 0.00 0.61 0.00 0.00 0.00 175.10 176.41 1njg n GLY 20 N 3.35 0.00 3.45 4.51 0.00 -1.26 -4.91 105.19 110.33 1njg n GLY 20 Ca -0.07 -0.96 -0.23 0.00 0.00 0.00 0.00 46.02 44.75 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 -2.76 0.03 1.61 1.13 -1.26 -4.81 117.38 111.32 1njg n GLN 21 Ca 0.00 0.33 0.17 0.00 -1.94 0.00 0.00 57.00 55.56 1njg n GLN 21 Cb 0.00 -4.97 0.65 0.00 0.11 0.00 0.00 30.24 26.03 1njg n GLN 21 CO 0.00 0.00 0.00 1.05 -1.44 0.00 0.00 177.06 176.67 1njg h GLU 22 N -0.77 0.06 -0.43 -1.09 -0.00 -1.95 -0.93 114.58 109.47 1njg h GLU 22 Ca -0.39 -0.00 -0.14 0.00 -0.00 0.00 0.00 59.36 58.83 1njg h GLU 22 Cb 1.26 -0.01 -0.01 0.00 -0.00 0.00 0.00 28.75 29.98 1njg h GLU 22 CO 0.51 0.04 -0.27 0.45 -0.00 0.00 0.00 179.01 179.74 1njg h HIS 23 N 0.06 1.06 -0.06 2.06 3.86 -1.98 -1.27 115.15 118.88 1njg h HIS 23 Ca 0.21 -0.27 -0.05 0.00 -1.16 0.00 0.00 60.37 59.09 1njg h HIS 23 Cb 0.76 -0.24 0.00 0.00 1.06 0.00 0.00 27.41 28.99 1njg h HIS 23 CO -0.00 1.08 -0.17 0.28 0.86 0.00 0.00 177.93 179.98 1njg h VAL 24 N 0.78 1.43 -0.10 2.45 2.07 -1.64 -3.11 116.25 118.13 1njg h VAL 24 Ca 0.09 -1.53 -0.00 0.00 0.82 0.00 0.00 66.70 66.08 1njg h VAL 24 Cb 0.84 2.27 -0.00 0.00 -1.52 0.00 0.00 31.29 32.87 1njg h VAL 24 CO 0.07 0.43 0.06 -0.07 0.02 0.00 0.00 177.57 178.08 1njg h LEU 25 N -0.27 0.13 -0.68 2.57 3.38 -1.21 -1.04 115.31 118.18 1njg h LEU 25 Ca -0.00 -0.08 0.01 0.00 0.09 0.00 0.00 57.88 57.89 1njg h LEU 25 Cb 0.78 -0.03 -0.03 0.00 0.09 0.00 0.00 40.66 41.46 1njg h LEU 25 CO 0.04 0.17 0.45 0.71 0.09 0.00 0.00 178.44 179.90 1njg h THR 26 N 0.07 1.17 -0.20 0.22 1.35 -1.35 0.27 112.91 114.45 1njg h THR 26 Ca 0.04 -0.32 -0.01 0.00 -0.55 0.00 0.00 66.41 65.57 1njg h THR 26 Cb 0.07 0.17 -0.01 0.00 -1.73 0.00 0.00 68.15 66.65 1njg h THR 26 CO -0.01 0.17 0.07 0.00 -0.25 0.00 0.00 175.52 175.50 1njg h ALA 27 N 1.25 0.26 0.53 6.62 0.00 -1.44 -0.75 119.26 125.73 1njg h ALA 27 Ca 0.25 -0.12 -0.03 0.00 0.00 0.00 0.00 54.91 55.01 1njg h ALA 27 Cb -0.10 -0.08 0.01 0.00 0.00 0.00 0.00 17.79 17.62 1njg h ALA 27 CO -0.06 -0.13 -0.25 -0.07 0.00 0.00 0.00 179.25 178.74 1njg h LEU 28 N 0.16 -0.60 0.02 0.00 3.38 -0.91 -0.15 115.31 117.20 1njg h LEU 28 Ca 0.07 -0.01 0.03 0.00 0.09 0.00 0.00 57.88 58.05 1njg h LEU 28 Cb 0.21 0.16 -0.05 0.00 0.09 0.00 0.00 40.66 41.07 1njg h LEU 28 CO -0.00 -0.38 -0.29 0.00 0.09 0.00 0.00 178.44 177.86 1njg h ALA 29 N -0.35 -0.43 -0.55 1.53 0.00 -0.45 0.11 119.26 119.13 1njg h ALA 29 Ca -0.07 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.81 1njg h ALA 29 Cb 0.58 0.50 -0.03 0.00 0.00 0.00 0.00 17.79 18.85 1njg h ALA 29 CO 0.12 -0.80 0.29 -0.91 0.00 0.00 0.00 179.25 177.95 1njg h ASN 30 N -0.45 0.67 0.33 0.00 4.21 -1.19 0.22 115.58 119.37 1njg h ASN 30 Ca 0.06 -0.05 -0.00 0.00 1.21 0.00 0.00 56.30 57.51 1njg h ASN 30 Cb 0.53 -0.17 -0.02 0.00 -1.12 0.00 0.00 38.32 37.54 1njg h ASN 30 CO -0.23 0.55 -0.29 1.23 -1.29 0.00 0.00 177.43 177.40 1njg h GLY 31 N 0.83 -0.68 0.97 2.83 0.00 0.17 0.53 103.07 107.72 1njg h GLY 31 Ca 0.19 0.33 0.01 0.00 0.00 0.00 0.00 47.33 47.87 1njg h GLY 31 CO -0.03 -0.26 0.44 1.41 0.00 0.00 0.00 176.54 178.10 1njg h LEU 32 N -0.64 0.75 -0.61 3.11 3.38 -0.23 -1.68 115.31 119.40 1njg h LEU 32 Ca -0.02 -0.01 -0.06 0.00 0.09 0.00 0.00 57.88 57.87 1njg h LEU 32 Cb 0.57 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 41.11 1njg h LEU 32 CO -0.03 0.54 0.13 0.28 0.09 0.00 0.00 178.44 179.45 1njg h SER 33 N 0.89 0.93 -0.18 -0.43 0.02 -0.13 -3.01 113.55 111.65 1njg h SER 33 Ca 0.26 -0.24 0.00 0.00 -0.84 0.00 0.00 61.79 60.96 1njg h SER 33 Cb -0.07 -0.25 0.00 0.00 0.14 0.00 0.00 62.40 62.22 1njg h SER 33 CO -0.07 0.93 0.00 0.18 -1.14 0.00 0.00 176.83 176.73 1njg n LEU 34 N -4.33 1.40 0.00 5.07 4.77 0.18 -4.91 117.00 119.19 1njg n LEU 34 Ca 0.03 -0.62 0.00 0.00 -0.03 0.00 0.00 56.01 55.39 1njg n LEU 34 Cb 0.25 -0.12 0.00 0.00 -2.33 0.00 0.00 43.42 41.23 1njg n LEU 34 CO 0.41 0.31 0.00 0.61 -1.33 0.00 0.00 177.39 177.40 1njg n GLY 35 N 1.03 0.57 3.56 -0.72 0.00 -0.72 -4.93 105.19 103.99 1njg n GLY 35 Ca 0.14 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.75 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 -0.44 3.63 -0.14 1.61 1.81 -0.71 -4.97 118.95 119.74 1njg s ARG 36 Ca 0.00 -1.22 -0.00 0.00 -1.72 0.00 0.00 55.73 52.79 1njg s ARG 36 Cb 0.00 -5.37 -0.01 0.00 -0.45 0.00 0.00 34.95 29.12 1njg s ARG 36 CO 0.00 -2.20 -0.13 0.42 -0.68 0.00 0.00 175.30 172.71 1njg s ILE 37 N 4.86 3.01 0.50 1.52 1.01 -1.26 -4.48 121.20 126.35 1njg s ILE 37 Ca 0.46 -0.67 -0.01 0.00 0.00 0.00 0.00 60.65 60.44 1njg s ILE 37 Cb 0.00 -2.27 0.01 0.00 0.01 0.00 0.00 42.46 40.21 1njg s ILE 37 CO -0.08 0.52 0.74 -2.28 0.00 0.00 0.00 174.94 173.83 1njg s HIS 38 N 0.49 3.14 -0.27 3.97 2.46 -1.26 -5.02 115.29 118.81 1njg s HIS 38 Ca -0.09 0.25 0.19 0.00 0.47 0.00 0.00 55.06 55.87 1njg s HIS 38 Cb -0.16 -2.50 0.16 0.00 -0.13 0.00 0.00 32.58 29.96 1njg s HIS 38 CO 0.04 -0.57 1.47 0.45 -2.47 0.00 0.00 174.74 173.66 1njg h HIS 39 N 0.21 0.00 -2.81 3.88 -0.00 -1.93 -3.46 115.15 111.03 1njg h HIS 39 Ca -0.45 0.00 -0.13 0.00 -0.00 0.00 0.00 60.37 59.79 1njg h HIS 39 Cb 1.26 0.00 -0.24 0.00 -0.00 0.00 0.00 27.41 28.43 1njg h HIS 39 CO 0.44 0.29 -0.28 0.00 -0.00 0.00 0.00 177.93 178.38 1njg s ALA 40 N -3.07 -0.94 0.00 2.45 0.00 -1.26 -1.92 121.76 117.02 1njg s ALA 40 Ca 0.05 1.09 0.08 0.00 0.00 0.00 0.00 51.96 53.17 1njg s ALA 40 Cb 0.07 -0.63 -0.02 0.00 0.00 0.00 0.00 23.12 22.53 1njg s ALA 40 CO 0.72 -0.18 -0.25 0.71 0.00 0.00 0.00 175.76 176.76 1njg s TYR 41 N 0.26 2.21 -0.21 0.00 1.51 0.44 -2.89 117.35 118.68 1njg s TYR 41 Ca -0.00 -0.41 -0.00 0.00 -1.01 0.00 0.00 57.07 55.64 1njg s TYR 41 Cb -0.03 -1.39 0.02 0.00 -0.11 0.00 0.00 41.96 40.45 1njg s TYR 41 CO -0.00 0.01 -0.13 -1.17 -1.11 0.00 0.00 175.55 173.15 1njg s LEU 42 N -0.79 2.59 -0.17 -1.29 2.96 0.18 -0.44 118.68 121.72 1njg s LEU 42 Ca 0.10 -0.70 -0.06 0.00 -0.22 0.00 0.00 54.13 53.25 1njg s LEU 42 Cb -0.10 -1.57 -0.03 0.00 0.50 0.00 0.00 46.19 44.99 1njg s LEU 42 CO 0.00 -0.04 0.01 -0.36 -1.32 0.00 0.00 176.35 174.64 1njg s PHE 43 N 1.32 3.13 0.11 5.38 0.08 0.11 -0.58 117.98 127.52 1njg s PHE 43 Ca 0.03 -0.14 0.05 0.00 0.12 0.00 0.00 56.93 56.99 1njg s PHE 43 Cb -0.14 -2.02 -0.04 0.00 -0.57 0.00 0.00 43.02 40.25 1njg s PHE 43 CO -0.09 0.04 -0.13 -1.54 -0.10 0.00 0.00 175.22 173.40 1njg s SER 44 N 0.41 1.81 0.00 1.36 1.04 -0.44 -0.92 113.70 116.96 1njg s SER 44 Ca -0.00 -0.79 0.00 0.00 0.48 0.00 0.00 55.95 55.64 1njg s SER 44 Cb -0.13 -0.04 0.00 0.00 0.10 0.00 0.00 66.02 65.94 1njg s SER 44 CO 0.02 -0.17 0.00 0.61 0.98 0.00 0.00 173.24 174.68 1njg n GLY 45 N 0.62 1.43 3.73 7.32 0.00 -0.97 -1.37 105.19 115.96 1njg n GLY 45 Ca -0.16 -1.33 -0.33 0.00 0.00 0.00 0.00 46.02 44.20 1njg n GLY 45 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1njg s THR 46 N -1.92 2.69 0.25 2.61 2.01 -1.26 -4.14 115.64 115.87 1njg s THR 46 Ca 0.00 0.29 -0.30 0.00 0.31 0.00 0.00 61.69 61.99 1njg s THR 46 Cb 0.00 -2.75 -0.11 0.00 0.01 0.00 0.00 72.50 69.66 1njg s THR 46 CO 0.00 -0.22 1.56 -0.60 -0.69 0.00 0.00 174.62 174.67 1njg s ARG 47 N -4.23 4.18 0.00 4.92 3.52 -1.26 -2.42 118.95 123.66 1njg s ARG 47 Ca 0.69 2.47 0.00 0.00 -0.13 0.00 0.00 55.73 58.76 1njg s ARG 47 Cb -0.24 -3.07 0.00 0.00 -1.56 0.00 0.00 34.95 30.08 1njg s ARG 47 CO 0.48 -0.58 0.00 0.41 -0.81 0.00 0.00 175.30 174.80 1njg n GLY 48 N 2.63 1.27 0.00 8.12 0.00 -1.26 -4.93 105.19 111.02 1njg n GLY 48 Ca 0.09 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.18 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 -2.00 0.60 -0.18 1.61 0.24 -1.01 -4.48 118.33 113.11 1njg n VAL 49 Ca 0.00 0.15 0.00 0.00 -2.04 0.00 0.00 64.34 62.45 1njg n VAL 49 Cb 0.00 -0.95 0.00 0.00 -1.47 0.00 0.00 33.84 31.42 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 -0.24 1.35 0.08 7.63 0.00 -1.26 -4.83 105.19 107.92 1njg n GLY 50 Ca 0.06 -0.12 -0.13 0.00 0.00 0.00 0.00 46.02 45.83 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 -0.10 0.00 1.61 1.57 -1.90 -1.72 116.57 116.04 1njg h LYS 51 Ca 0.00 0.01 -0.07 0.00 -1.87 0.00 0.00 60.65 58.71 1njg h LYS 51 Cb 0.06 0.02 -0.01 0.00 0.08 0.00 0.00 32.23 32.38 1njg h LYS 51 CO 0.00 -0.06 -0.35 1.79 -0.57 0.00 0.00 179.45 180.25 1njg h THR 52 N -0.10 0.77 -0.49 -0.16 1.35 -1.97 -2.36 112.91 109.94 1njg h THR 52 Ca -0.01 -1.54 -0.05 0.00 -0.55 0.00 0.00 66.41 64.26 1njg h THR 52 Cb 0.08 1.99 -0.02 0.00 -1.73 0.00 0.00 68.15 68.47 1njg h THR 52 CO 0.02 0.35 0.11 -1.28 -0.25 0.00 0.00 175.52 174.46 1njg h SER 53 N 0.00 0.75 0.57 5.36 0.87 -1.91 0.02 113.55 119.21 1njg h SER 53 Ca -0.00 -0.24 -0.21 0.00 -1.23 0.00 0.00 61.79 60.11 1njg h SER 53 Cb 0.96 -0.20 -0.01 0.00 -0.44 0.00 0.00 62.40 62.71 1njg h SER 53 CO 0.05 0.79 -0.93 0.40 -0.53 0.00 0.00 176.83 176.61 1njg h ILE 54 N 0.67 1.49 -0.55 2.23 2.04 -1.21 -2.46 117.51 119.73 1njg h ILE 54 Ca 0.15 -2.67 -0.04 0.00 1.00 0.00 0.00 64.86 63.30 1njg h ILE 54 Cb 0.34 2.52 -0.02 0.00 -0.74 0.00 0.00 36.82 38.92 1njg h ILE 54 CO 0.00 0.78 0.19 0.00 0.00 0.00 0.00 178.15 179.12 1njg h ALA 55 N 0.90 0.71 -0.97 1.87 0.00 -1.29 -0.87 119.26 119.61 1njg h ALA 55 Ca -0.06 -0.18 0.10 0.00 0.00 0.00 0.00 54.91 54.77 1njg h ALA 55 Cb 1.57 -0.21 -0.07 0.00 0.00 0.00 0.00 17.79 19.08 1njg h ALA 55 CO 0.14 0.36 0.62 -0.09 0.00 0.00 0.00 179.25 180.28 1njg h ARG 56 N 0.75 0.99 0.00 0.00 2.43 -0.92 0.18 114.38 117.81 1njg h ARG 56 Ca 0.18 -0.06 -0.12 0.00 -0.81 0.00 0.00 59.98 59.17 1njg h ARG 56 Cb 0.25 -0.22 -0.02 0.00 -0.42 0.00 0.00 29.97 29.56 1njg h ARG 56 CO -0.01 0.65 -0.58 -0.07 -1.51 0.00 0.00 179.97 178.45 1njg h LEU 57 N 1.02 0.00 -0.05 3.80 3.38 -0.81 -1.94 115.31 120.70 1njg h LEU 57 Ca 0.46 0.00 -0.15 0.00 0.09 0.00 0.00 57.88 58.27 1njg h LEU 57 Cb 0.38 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.14 1njg h LEU 57 CO -0.21 0.58 -0.56 0.25 0.09 0.00 0.00 178.44 178.58 1njg h LEU 58 N 0.00 0.58 -0.53 1.67 5.85 0.17 -2.24 115.31 120.81 1njg h LEU 58 Ca -0.01 -0.70 0.07 0.00 0.84 0.00 0.00 57.88 58.08 1njg h LEU 58 Cb 1.06 -0.17 -0.06 0.00 0.37 0.00 0.00 40.66 41.86 1njg h LEU 58 CO 0.08 1.20 0.21 0.00 -0.34 0.00 0.00 178.44 179.58 1njg h ALA 59 N 0.39 0.67 -0.16 1.25 0.00 -0.60 -1.23 119.26 119.59 1njg h ALA 59 Ca -0.06 0.06 0.03 0.00 0.00 0.00 0.00 54.91 54.95 1njg h ALA 59 Cb 1.24 0.02 -0.03 0.00 0.00 0.00 0.00 17.79 19.02 1njg h ALA 59 CO 0.11 -0.18 -0.04 -0.22 0.00 0.00 0.00 179.25 178.92 1njg h LYS 60 N 0.40 0.00 0.00 0.00 3.64 -1.33 -2.03 116.57 117.24 1njg h LYS 60 Ca 0.26 -0.00 -0.07 0.00 -1.27 0.00 0.00 60.65 59.57 1njg h LYS 60 Cb 0.27 -0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.08 1njg h LYS 60 CO -0.25 0.00 -0.32 0.78 -2.27 0.00 0.00 179.45 177.40 1njg h GLY 61 N 0.00 0.00 1.58 5.01 0.00 -1.07 -1.28 103.07 107.31 1njg h GLY 61 Ca 0.07 0.00 -0.16 0.00 0.00 0.00 0.00 47.33 47.24 1njg h GLY 61 CO -0.16 0.00 -0.62 1.41 0.00 0.00 0.00 176.54 177.17 1njg h LEU 62 N 0.00 0.49 -2.12 3.11 3.38 -0.88 0.79 115.31 120.09 1njg h LEU 62 Ca -0.00 -0.28 0.00 0.00 0.09 0.00 0.00 57.88 57.69 1njg h LEU 62 Cb 0.56 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 41.17 1njg h LEU 62 CO 0.04 0.98 0.00 0.59 0.09 0.00 0.00 178.44 180.14 1njg n ASN 63 N -3.90 3.10 -4.66 -0.43 3.02 -0.80 -4.45 115.26 107.14 1njg n ASN 63 Ca -0.03 -1.93 -0.46 0.00 -0.03 0.00 0.00 54.58 52.12 1njg n ASN 63 Cb 0.64 -0.13 -0.04 0.00 -0.61 0.00 0.00 39.78 39.63 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 5.67 0.00 0.00 0.00 5.08 -1.94 0.13 114.58 123.52 1njg h GLU 65 Ca -0.45 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 57.90 1njg h GLU 65 Cb 1.26 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.51 1njg h GLU 65 CO 0.87 0.00 -0.04 1.79 -1.00 0.00 0.00 179.01 180.63 1njg h THR 66 N 0.00 0.06 0.00 1.13 1.35 -1.99 -3.49 112.91 109.96 1njg h THR 66 Ca 0.00 -1.08 0.00 0.00 -0.55 0.00 0.00 66.41 64.78 1njg h THR 66 Cb 0.00 2.03 0.00 0.00 -1.73 0.00 0.00 68.15 68.45 1njg h THR 66 CO 0.00 0.03 0.00 0.61 -0.25 0.00 0.00 175.52 175.91 1njg n GLY 67 N 1.11 3.73 3.69 5.82 0.00 0.46 -5.05 105.19 114.95 1njg n GLY 67 Ca 0.04 -1.64 -0.42 0.00 0.00 0.00 0.00 46.02 44.00 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 -2.01 2.77 0.06 -0.61 1.01 -1.26 -4.24 121.20 116.92 1njg s ILE 68 Ca 0.00 0.25 -0.20 0.00 0.00 0.00 0.00 60.65 60.71 1njg s ILE 68 Cb 0.00 -3.16 0.04 0.00 0.01 0.00 0.00 42.46 39.35 1njg s ILE 68 CO 0.00 -0.00 0.46 0.28 0.00 0.00 0.00 174.94 175.68 1njg s THR 69 N 2.69 0.05 -0.76 2.92 -1.32 0.27 -4.88 115.64 114.61 1njg s THR 69 Ca 0.78 -0.38 0.25 0.00 -1.21 0.00 0.00 61.69 61.13 1njg s THR 69 Cb -0.43 -1.00 0.14 0.00 -1.51 0.00 0.00 72.50 69.70 1njg s THR 69 CO 0.34 -0.21 1.55 0.00 -2.21 0.00 0.00 174.62 174.09 1njg n ALA 70 N 0.32 2.74 -3.22 11.08 0.00 -1.26 -4.21 120.51 125.95 1njg n ALA 70 Ca -0.18 -0.17 -0.29 0.00 0.00 0.00 0.00 53.44 52.79 1njg n ALA 70 Cb 0.61 -1.29 -0.06 0.00 0.00 0.00 0.00 19.45 18.71 1njg n ALA 70 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 1njg n THR 71 N -2.00 3.01 -1.57 0.00 -1.04 -1.26 -3.99 114.28 107.42 1njg n THR 71 Ca 0.05 -5.43 -0.54 0.00 -2.04 0.00 0.00 64.05 56.10 1njg n THR 71 Cb 0.41 -1.89 -0.06 0.00 -1.82 0.00 0.00 70.33 66.97 1njg n THR 71 CO 0.00 0.00 0.00 -2.65 -0.64 0.00 0.00 175.07 171.78 1njg n PRO 72 N 0.55 0.88 -0.15 -2.82 -0.02 -1.26 -4.83 135.00 127.35 1njg n PRO 72 Ca 0.31 0.32 0.18 0.00 -2.02 0.00 0.00 63.50 62.29 1njg n PRO 72 Cb 0.39 -1.92 0.56 0.00 -0.02 0.00 0.00 33.50 32.51 1njg n PRO 72 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1njg n GLY 74 N -1.56 1.74 0.00 0.00 0.00 -1.26 -4.78 105.19 99.32 1njg n GLY 74 Ca 0.15 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.17 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 -1.68 1.61 0.24 -1.26 -4.29 118.33 110.94 1njg n VAL 75 Ca 0.00 -0.43 -0.30 0.00 -2.04 0.00 0.00 64.34 61.57 1njg n VAL 75 Cb 0.00 1.04 0.21 0.00 -1.47 0.00 0.00 33.84 33.62 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 -1.97 0.51 0.00 0.00 3.32 -1.98 -1.79 116.42 114.51 1njg h ASP 77 Ca -0.44 -0.28 0.00 0.00 0.02 0.00 0.00 57.03 56.33 1njg h ASP 77 Cb 1.24 -0.14 -0.00 0.00 0.22 0.00 0.00 39.33 40.66 1njg h ASP 77 CO 0.34 0.66 -0.01 0.78 -1.72 0.00 0.00 179.24 179.29 1njg h ASN 78 N 0.34 -0.04 0.26 6.45 2.35 -1.94 0.50 115.58 123.51 1njg h ASN 78 Ca 0.09 0.01 0.00 0.00 -0.55 0.00 0.00 56.30 55.85 1njg h ASN 78 Cb 0.38 0.02 -0.02 0.00 0.05 0.00 0.00 38.32 38.74 1njg h ASN 78 CO 0.01 -0.02 -0.29 0.00 -1.65 0.00 0.00 177.43 175.48 1njg h ARG 80 N -0.60 0.99 -0.77 0.00 2.43 -1.27 -1.81 114.38 113.36 1njg h ARG 80 Ca -0.00 -0.06 0.02 0.00 -0.81 0.00 0.00 59.98 59.13 1njg h ARG 80 Cb 0.56 -0.22 -0.04 0.00 -0.42 0.00 0.00 29.97 29.84 1njg h ARG 80 CO -0.08 0.66 0.50 1.49 -1.51 0.00 0.00 179.97 181.03 1njg h GLU 81 N 1.02 0.95 -0.42 0.20 4.81 -0.57 -1.61 114.58 118.96 1njg h GLU 81 Ca 0.36 -0.06 -0.15 0.00 -0.13 0.00 0.00 59.36 59.38 1njg h GLU 81 Cb 0.08 -0.22 -0.01 0.00 0.63 0.00 0.00 28.75 29.24 1njg h GLU 81 CO -0.14 0.63 -0.32 0.82 -0.73 0.00 0.00 179.01 179.27 1njg h ILE 82 N 0.98 1.27 0.00 2.32 2.04 -0.63 -0.35 117.51 123.14 1njg h ILE 82 Ca 0.30 -1.50 -0.05 0.00 1.00 0.00 0.00 64.86 64.62 1njg h ILE 82 Cb -0.03 1.28 -0.01 0.00 -0.74 0.00 0.00 36.82 37.33 1njg h ILE 82 CO -0.10 0.51 -0.22 -0.08 0.00 0.00 0.00 178.15 178.26 1njg h GLU 83 N 0.80 0.00 -0.07 2.37 4.57 -1.12 -0.66 114.58 120.48 1njg h GLU 83 Ca 0.08 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.26 1njg h GLU 83 Cb 0.92 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.51 1njg h GLU 83 CO 0.09 0.22 0.00 1.04 -1.18 0.00 0.00 179.01 179.18 1njg n GLN 84 N -3.42 1.62 -3.04 1.92 6.02 -0.62 -4.94 117.38 114.91 1njg n GLN 84 Ca -0.00 -0.92 -0.13 0.00 -0.01 0.00 0.00 57.00 55.94 1njg n GLN 84 Cb 0.42 -1.44 0.06 0.00 1.02 0.00 0.00 30.24 30.29 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 1.14 -0.09 2.71 1.08 0.00 -0.25 -4.99 105.19 104.78 1njg n GLY 85 Ca 0.18 -0.07 -0.08 0.00 0.00 0.00 0.00 46.02 46.05 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 -3.24 1.08 -3.32 1.61 1.85 -0.19 -5.02 116.66 109.43 1njg n ARG 86 Ca -0.14 -1.82 -0.46 0.00 -1.00 0.00 0.00 57.85 54.43 1njg n ARG 86 Cb 0.59 -0.47 -0.05 0.00 -1.05 0.00 0.00 32.46 31.49 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 0.22 3.25 0.00 2.89 5.36 -1.24 -4.80 117.98 123.67 1njg s PHE 87 Ca 0.21 -1.24 0.00 0.00 -0.96 0.00 0.00 56.93 54.95 1njg s PHE 87 Cb 0.34 -3.71 0.00 0.00 -0.34 0.00 0.00 43.02 39.31 1njg s PHE 87 CO -0.07 -0.99 0.00 0.28 -1.46 0.00 0.00 175.22 172.98 1njg n VAL 88 N 5.24 0.00 0.90 3.12 0.31 -1.26 0.12 118.33 126.76 1njg n VAL 88 Ca -0.14 0.00 0.01 0.00 -0.01 0.00 0.00 64.34 64.20 1njg n VAL 88 Cb 0.41 0.00 0.06 0.00 -0.91 0.00 0.00 33.84 33.40 1njg n VAL 88 CO 0.00 0.00 0.00 0.47 -1.32 0.00 0.00 176.83 175.98 1njg n ASP 89 N -2.33 0.00 -4.03 4.52 8.00 -1.26 -4.20 116.55 117.25 1njg n ASP 89 Ca 0.00 -0.83 -0.33 0.00 0.71 0.00 0.00 54.79 54.34 1njg n ASP 89 Cb 0.00 0.00 -0.12 0.00 -0.02 0.00 0.00 41.12 40.98 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 -1.14 4.79 -0.42 0.64 2.96 0.33 0.10 118.68 125.94 1njg s LEU 90 Ca 0.03 -2.72 -0.24 0.00 -0.22 0.00 0.00 54.13 50.98 1njg s LEU 90 Cb 0.01 -1.73 0.02 0.00 0.50 0.00 0.00 46.19 44.99 1njg s LEU 90 CO 0.02 -0.33 0.83 -0.63 -1.32 0.00 0.00 176.35 174.92 1njg s ILE 91 N 0.12 4.63 -0.18 6.68 1.01 0.48 -4.72 121.20 129.21 1njg s ILE 91 Ca 0.15 0.71 -0.16 0.00 0.00 0.00 0.00 60.65 61.35 1njg s ILE 91 Cb -0.23 -4.31 -0.04 0.00 0.01 0.00 0.00 42.46 37.89 1njg s ILE 91 CO -0.03 -0.64 0.39 -1.61 0.00 0.00 0.00 174.94 173.06 1njg s GLU 92 N 3.35 4.21 -0.09 2.79 2.02 -1.26 -0.30 118.70 129.41 1njg s GLU 92 Ca 0.33 0.22 0.01 0.00 0.02 0.00 0.00 54.97 55.55 1njg s GLU 92 Cb -0.12 -3.51 0.02 0.00 0.10 0.00 0.00 34.13 30.62 1njg s GLU 92 CO 0.21 0.03 -0.12 0.42 0.02 0.00 0.00 175.26 175.82 1njg s ILE 93 N 1.10 1.21 -0.41 -1.63 1.01 -0.58 -4.96 121.20 116.94 1njg s ILE 93 Ca 0.20 -0.47 -0.14 0.00 0.00 0.00 0.00 60.65 60.24 1njg s ILE 93 Cb -0.14 -1.13 0.04 0.00 0.01 0.00 0.00 42.46 41.23 1njg s ILE 93 CO 0.08 0.38 0.29 -0.62 0.00 0.00 0.00 174.94 175.07 1njg s ASP 94 N 1.06 5.99 0.07 3.58 2.15 -1.26 -1.03 116.67 127.22 1njg s ASP 94 Ca -0.07 -1.05 0.24 0.00 0.43 0.00 0.00 52.55 52.10 1njg s ASP 94 Cb -0.15 -2.12 0.96 0.00 -0.30 0.00 0.00 42.92 41.32 1njg s ASP 94 CO -0.01 -0.48 1.75 0.00 -0.17 0.00 0.00 175.17 176.25 1njg n ALA 95 N 5.11 2.06 0.68 3.66 0.00 -1.02 -2.63 120.51 128.38 1njg n ALA 95 Ca -0.11 -0.05 0.12 0.00 0.00 0.00 0.00 53.44 53.39 1njg n ALA 95 Cb 0.46 -1.39 0.12 0.00 0.00 0.00 0.00 19.45 18.63 1njg n ALA 95 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1njg n ALA 96 N -1.58 3.32 -2.64 0.00 0.00 -1.26 -4.24 120.51 114.11 1njg n ALA 96 Ca 0.05 -0.35 -0.42 0.00 0.00 0.00 0.00 53.44 52.73 1njg n ALA 96 Cb 0.30 -1.07 -0.04 0.00 0.00 0.00 0.00 19.45 18.64 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 -3.78 6.82 0.01 0.00 0.15 -1.08 -4.95 113.70 110.87 1njg s SER 97 Ca 0.06 1.02 -0.21 0.00 0.70 0.00 0.00 55.95 57.52 1njg s SER 97 Cb 0.15 -2.43 -0.18 0.00 -1.71 0.00 0.00 66.02 61.84 1njg s SER 97 CO 0.75 -0.50 1.22 0.03 1.20 0.00 0.00 173.24 175.94 1njg h ARG 98 N 7.68 0.33 0.00 5.44 3.08 -1.88 -2.79 114.38 126.24 1njg h ARG 98 Ca -0.23 -0.24 0.00 0.00 0.07 0.00 0.00 59.98 59.57 1njg h ARG 98 Cb 1.10 0.04 0.00 0.00 0.08 0.00 0.00 29.97 31.19 1njg h ARG 98 CO 0.87 0.86 0.00 0.25 -1.07 0.00 0.00 179.97 180.88 1njg n THR 99 N -4.47 0.68 0.48 2.04 -2.24 -1.26 -2.02 114.28 107.50 1njg n THR 99 Ca -0.08 0.17 0.05 0.00 -2.27 0.00 0.00 64.05 61.92 1njg n THR 99 Cb 0.46 -1.04 -0.05 0.00 -2.10 0.00 0.00 70.33 67.60 1njg n THR 99 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 1njg n LYS 100 N -1.23 3.45 0.14 -0.78 5.02 -1.08 -4.59 118.16 119.09 1njg n LYS 100 Ca 0.04 -0.07 0.06 0.00 -2.02 0.00 0.00 58.31 56.33 1njg n LYS 100 Cb 0.06 -1.00 0.32 0.00 -0.02 0.00 0.00 35.03 34.39 1njg n LYS 100 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 1njg n VAL 101 N -1.14 0.74 0.00 -0.18 0.31 -0.86 -0.08 118.33 117.13 1njg n VAL 101 Ca 0.02 0.71 0.00 0.00 -0.01 0.00 0.00 64.34 65.06 1njg n VAL 101 Cb 0.17 -1.71 0.00 0.00 -0.91 0.00 0.00 33.84 31.39 1njg n VAL 101 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 1njg n GLU 102 N -1.95 0.00 -0.49 5.55 1.02 -1.26 -1.75 120.64 121.76 1njg n GLU 102 Ca -0.01 0.00 0.41 0.00 -0.02 0.00 0.00 57.16 57.54 1njg n GLU 102 Cb 0.28 -0.47 0.69 0.00 -0.02 0.00 0.00 31.44 31.92 1njg n GLU 102 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 1njg n ASP 103 N -0.22 0.20 0.18 1.62 9.92 -1.02 -0.36 116.55 126.87 1njg n ASP 103 Ca 0.00 1.38 -0.14 0.00 -0.53 0.00 0.00 54.79 55.49 1njg n ASP 103 Cb 0.00 -0.68 -0.08 0.00 -0.64 0.00 0.00 41.12 39.72 1njg n ASP 103 CO 0.00 0.00 0.00 0.74 0.13 0.00 0.00 177.20 178.07 1njg h THR 104 N 0.00 0.71 -0.15 -3.53 2.02 -0.55 -2.44 112.91 108.96 1njg h THR 104 Ca 0.89 -0.23 0.00 0.00 0.77 0.00 0.00 66.41 67.84 1njg h THR 104 Cb 2.90 0.83 -0.01 0.00 -1.74 0.00 0.00 68.15 70.14 1njg h THR 104 CO -0.45 0.05 0.10 -0.09 0.37 0.00 0.00 175.52 175.50 1njg h ARG 105 N -0.55 0.21 -0.21 6.66 2.43 0.15 -1.61 114.38 121.46 1njg h ARG 105 Ca -0.04 -0.02 0.04 0.00 -0.81 0.00 0.00 59.98 59.15 1njg h ARG 105 Cb 0.41 -0.04 -0.04 0.00 -0.42 0.00 0.00 29.97 29.87 1njg h ARG 105 CO 0.07 0.16 -0.05 -0.44 -1.51 0.00 0.00 179.97 178.21 1njg h ASP 106 N 0.19 -0.18 -0.35 -3.80 3.32 -1.52 0.24 116.42 114.32 1njg h ASP 106 Ca 0.06 0.06 0.02 0.00 0.02 0.00 0.00 57.03 57.18 1njg h ASP 106 Cb 0.00 0.12 -0.02 0.00 0.22 0.00 0.00 39.33 39.65 1njg h ASP 106 CO -0.01 -0.06 0.20 -0.07 -1.72 0.00 0.00 179.24 177.58 1njg h LEU 107 N 0.01 0.32 -1.06 1.55 -0.00 -1.35 0.34 115.31 115.11 1njg h LEU 107 Ca 0.10 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.98 1njg h LEU 107 Cb 0.15 -0.06 0.00 0.00 -0.00 0.00 0.00 40.66 40.75 1njg h LEU 107 CO -0.21 0.23 0.00 -0.07 -0.00 0.00 0.00 178.44 178.40 1njg h LEU 108 N 0.41 0.00 -2.09 1.67 4.07 -0.65 0.22 115.31 118.93 1njg h LEU 108 Ca 0.14 0.00 0.00 0.00 0.08 0.00 0.00 57.88 58.10 1njg h LEU 108 Cb 0.01 0.00 0.00 0.00 1.08 0.00 0.00 40.66 41.75 1njg h LEU 108 CO -0.07 0.00 0.00 0.47 -1.08 0.00 0.00 178.44 177.76 1njg n ASP 109 N -2.44 3.02 -3.42 -0.43 10.43 0.78 -4.51 116.55 119.98 1njg n ASP 109 Ca 0.01 -1.90 -0.27 0.00 2.57 0.00 0.00 54.79 55.20 1njg n ASP 109 Cb 0.21 -0.13 -0.08 0.00 1.84 0.00 0.00 41.12 42.96 1njg n ASP 109 CO 0.00 0.00 0.00 -3.20 -1.07 0.00 0.00 177.20 172.93 1njg n ASN 110 N 1.23 2.87 -4.57 -2.24 2.85 0.10 -5.01 115.26 110.49 1njg n ASN 110 Ca 0.15 -3.25 -0.37 0.00 -0.11 0.00 0.00 54.58 51.01 1njg n ASN 110 Cb 0.54 -0.67 -0.03 0.00 1.24 0.00 0.00 39.78 40.86 1njg n ASN 110 CO 0.00 0.00 0.00 -0.69 -2.11 0.00 0.00 177.26 174.46 1njg s VAL 111 N -2.06 3.85 -0.90 3.44 1.01 -1.24 -4.81 120.40 119.69 1njg s VAL 111 Ca 0.37 -1.30 -0.16 0.00 0.00 0.00 0.00 61.98 60.89 1njg s VAL 111 Cb 0.13 -4.88 -0.25 0.00 0.00 0.00 0.00 36.38 31.39 1njg s VAL 111 CO -0.05 -1.60 2.25 0.00 0.00 0.00 0.00 175.10 175.70 1njg n GLN 112 N 8.48 0.24 0.07 2.72 6.02 -1.26 -4.74 117.38 128.91 1njg n GLN 112 Ca 0.44 -0.38 0.06 0.00 -0.01 0.00 0.00 57.00 57.11 1njg n GLN 112 Cb 0.47 -2.17 0.29 0.00 1.02 0.00 0.00 30.24 29.85 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 11.23 0.34 -3.54 1.08 4.02 -1.26 -4.61 117.16 124.42 1njg n TYR 113 Ca 0.58 0.17 -0.15 0.00 -0.01 0.00 0.00 57.90 58.49 1njg n TYR 113 Cb 0.27 -0.77 -0.12 0.00 -0.02 0.00 0.00 39.34 38.69 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 -3.24 -0.50 0.83 -0.72 0.00 -1.26 -4.31 121.76 112.56 1njg s ALA 114 Ca -0.00 0.62 -0.22 0.00 0.00 0.00 0.00 51.96 52.36 1njg s ALA 114 Cb 0.04 -1.25 -0.16 0.00 0.00 0.00 0.00 23.12 21.75 1njg s ALA 114 CO 0.12 -0.99 -1.23 -2.30 0.00 0.00 0.00 175.76 171.37 1njg n PRO 115 N 5.34 0.00 -0.16 0.00 -0.02 -1.26 -4.96 135.00 133.94 1njg n PRO 115 Ca -0.05 0.00 0.07 0.00 -2.02 0.00 0.00 63.50 61.50 1njg n PRO 115 Cb 0.50 -0.83 0.10 0.00 -0.02 0.00 0.00 33.50 33.25 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 -2.80 2.16 0.00 3.55 0.00 -1.26 -4.98 120.51 117.18 1njg n ALA 116 Ca -0.02 -2.12 0.00 0.00 0.00 0.00 0.00 53.44 51.31 1njg n ALA 116 Cb 0.61 -0.37 0.00 0.00 0.00 0.00 0.00 19.45 19.69 1njg n ALA 116 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1njg n ARG 117 N -1.03 0.00 -0.65 0.00 5.12 -1.26 -4.98 116.66 113.86 1njg n ARG 117 Ca 0.11 0.00 -0.32 0.00 -1.93 0.00 0.00 57.85 55.71 1njg n ARG 117 Cb 0.62 0.00 0.18 0.00 -1.16 0.00 0.00 32.46 32.11 1njg n ARG 117 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1njg n GLY 118 N 0.00 -2.27 0.55 -0.13 0.00 -1.26 -4.86 105.19 97.21 1njg n GLY 118 Ca 0.00 -0.86 0.05 0.00 0.00 0.00 0.00 46.02 45.21 1njg n GLY 118 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 1njg n ARG 119 N -2.66 1.69 -3.69 1.61 1.85 -1.26 -4.67 116.66 109.53 1njg n ARG 119 Ca 0.02 -1.06 -0.11 0.00 -1.00 0.00 0.00 57.85 55.70 1njg n ARG 119 Cb 0.59 -1.23 -0.11 0.00 -1.05 0.00 0.00 32.46 30.65 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 -1.61 -0.55 0.10 2.89 0.08 -1.26 -4.86 117.98 112.78 1njg s PHE 120 Ca 0.20 1.17 -0.29 0.00 0.12 0.00 0.00 56.93 58.13 1njg s PHE 120 Cb 0.10 0.18 -0.06 0.00 -0.57 0.00 0.00 43.02 42.67 1njg s PHE 120 CO 0.13 -0.35 0.91 0.21 -0.10 0.00 0.00 175.22 176.03 1njg s LYS 121 N 1.76 4.65 -0.14 0.44 2.47 0.13 -4.88 119.74 124.18 1njg s LYS 121 Ca -0.06 1.36 0.00 0.00 -1.56 0.00 0.00 55.97 55.71 1njg s LYS 121 Cb -0.10 -3.37 0.02 0.00 -1.46 0.00 0.00 37.83 32.92 1njg s LYS 121 CO -0.11 0.24 -0.13 0.08 0.16 0.00 0.00 175.35 175.59 1njg s VAL 122 N -0.07 1.46 -0.21 4.02 1.01 0.29 -1.32 120.40 125.58 1njg s VAL 122 Ca 0.45 -0.57 -0.09 0.00 0.00 0.00 0.00 61.98 61.77 1njg s VAL 122 Cb -0.23 -1.38 -0.04 0.00 0.00 0.00 0.00 36.38 34.73 1njg s VAL 122 CO 0.28 0.44 0.11 -0.31 0.00 0.00 0.00 175.10 175.62 1njg s TYR 123 N 1.47 3.28 -0.49 5.22 1.51 -0.80 0.18 117.35 127.73 1njg s TYR 123 Ca 0.04 0.11 -0.00 0.00 -1.01 0.00 0.00 57.07 56.21 1njg s TYR 123 Cb -0.13 -2.17 0.13 0.00 -0.11 0.00 0.00 41.96 39.68 1njg s TYR 123 CO -0.09 0.09 0.26 -1.17 -1.11 0.00 0.00 175.55 173.53 1njg s LEU 124 N 0.74 4.95 -0.41 -1.29 2.96 0.59 -0.27 118.68 125.95 1njg s LEU 124 Ca 0.06 -2.53 -0.19 0.00 -0.22 0.00 0.00 54.13 51.25 1njg s LEU 124 Cb -0.13 -1.76 0.02 0.00 0.50 0.00 0.00 46.19 44.82 1njg s LEU 124 CO 0.02 -0.39 0.55 -0.63 -1.32 0.00 0.00 176.35 174.58 1njg s ILE 125 N 0.41 4.95 0.18 6.68 1.01 -0.35 -1.52 121.20 132.55 1njg s ILE 125 Ca 0.13 0.04 -0.20 0.00 0.00 0.00 0.00 60.65 60.62 1njg s ILE 125 Cb -0.22 -4.09 -0.08 0.00 0.01 0.00 0.00 42.46 38.08 1njg s ILE 125 CO -0.04 -0.44 0.69 -0.62 0.00 0.00 0.00 174.94 174.53 1njg s ASP 126 N 1.88 7.10 -1.40 3.58 2.15 -0.20 -1.04 116.67 128.74 1njg s ASP 126 Ca 0.18 1.40 -0.03 0.00 0.43 0.00 0.00 52.55 54.54 1njg s ASP 126 Cb -0.15 -2.41 0.02 0.00 -0.30 0.00 0.00 42.92 40.08 1njg s ASP 126 CO 0.16 0.12 0.61 -0.62 -0.17 0.00 0.00 175.17 175.27 1njg n GLU 127 N 1.08 -4.15 -0.01 4.34 -0.58 0.20 -2.42 120.64 119.11 1njg n GLU 127 Ca -0.05 0.51 0.22 0.00 -0.42 0.00 0.00 57.16 57.42 1njg n GLU 127 Cb 0.51 -4.92 0.72 0.00 -0.57 0.00 0.00 31.44 27.17 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 -1.85 0.61 0.00 2.62 3.04 -1.48 -0.10 116.25 119.08 1njg h VAL 128 Ca -0.61 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.08 1njg h VAL 128 Cb 1.37 0.68 0.00 0.00 -2.01 0.00 0.00 31.29 31.33 1njg h VAL 128 CO 0.62 0.00 0.00 0.00 -1.01 0.00 0.00 177.57 177.18 1njg n HIS 129 N -4.18 0.00 1.13 3.17 1.44 -1.26 -2.30 115.22 113.22 1njg n HIS 129 Ca 0.11 0.00 0.12 0.00 -2.01 0.00 0.00 57.72 55.94 1njg n HIS 129 Cb 0.67 -0.48 0.30 0.00 0.12 0.00 0.00 29.99 30.60 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 -1.48 0.48 -1.16 -1.40 2.81 -0.05 -4.96 117.12 111.36 1njg n MET 130 Ca 0.02 -0.29 -0.36 0.00 -1.81 0.00 0.00 57.70 55.27 1njg n MET 130 Cb 0.10 -1.49 0.07 0.00 -0.71 0.00 0.00 33.22 31.19 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 -1.01 0.10 -4.66 4.03 4.77 -0.97 -4.82 117.00 114.44 1njg n LEU 131 Ca 0.09 0.52 -0.37 0.00 -0.03 0.00 0.00 56.01 56.22 1njg n LEU 131 Cb 0.35 -1.18 0.07 0.00 -2.33 0.00 0.00 43.42 40.32 1njg n LEU 131 CO 0.30 -3.43 0.69 -1.20 -1.33 0.00 0.00 177.39 172.42 1njg n SER 132 N -0.17 1.24 0.24 -1.43 7.64 -1.26 -4.76 113.62 115.12 1njg n SER 132 Ca 0.09 0.79 0.07 0.00 1.01 0.00 0.00 58.87 60.82 1njg n SER 132 Cb 0.51 -1.46 0.56 0.00 -1.01 0.00 0.00 64.21 62.81 1njg n SER 132 CO 0.00 0.00 0.00 -0.09 -3.01 0.00 0.00 175.04 171.94 1njg h ARG 133 N 0.37 0.00 0.40 1.43 2.43 -2.00 0.34 114.38 117.35 1njg h ARG 133 Ca -0.49 0.00 -0.02 0.00 -0.81 0.00 0.00 59.98 58.66 1njg h ARG 133 Cb 1.35 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.91 1njg h ARG 133 CO 0.51 0.11 -0.19 1.25 -1.51 0.00 0.00 179.97 180.14 1njg h HIS 134 N 0.00 -0.50 0.00 2.20 2.76 -2.02 -3.25 115.15 114.34 1njg h HIS 134 Ca -0.00 -0.01 0.00 0.00 -2.20 0.00 0.00 60.37 58.16 1njg h HIS 134 Cb 0.20 0.17 0.00 0.00 1.55 0.00 0.00 27.41 29.32 1njg h HIS 134 CO 0.00 -0.31 0.14 0.77 -1.30 0.00 0.00 177.93 177.22 1njg h SER 135 N -0.78 0.00 0.90 3.26 0.02 -1.74 -2.73 113.55 112.48 1njg h SER 135 Ca -0.06 0.00 -0.22 0.00 -0.84 0.00 0.00 61.79 60.67 1njg h SER 135 Cb 0.42 0.00 -0.03 0.00 0.14 0.00 0.00 62.40 62.92 1njg h SER 135 CO 0.09 0.00 -1.15 0.15 -1.14 0.00 0.00 176.83 174.78 1njg h PHE 136 N 0.00 0.00 0.00 3.45 -0.00 -0.98 -3.10 116.94 116.31 1njg h PHE 136 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.97 57.97 1njg h PHE 136 Cb 0.27 0.00 0.00 0.00 -0.00 0.00 0.00 35.95 36.22 1njg h PHE 136 CO 0.00 0.98 -0.37 -1.71 -0.00 0.00 0.00 178.31 177.21 1njg n ASN 137 N -3.27 0.47 0.08 0.41 2.85 -1.03 -2.43 115.26 112.33 1njg n ASN 137 Ca -0.04 0.11 -0.08 0.00 -0.11 0.00 0.00 54.58 54.45 1njg n ASN 137 Cb 0.96 -0.05 0.03 0.00 1.24 0.00 0.00 39.78 41.95 1njg n ASN 137 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 1njg h ALA 138 N 2.82 0.60 0.00 5.20 0.00 -1.55 -0.79 119.26 125.53 1njg h ALA 138 Ca 0.00 -0.66 -0.06 0.00 0.00 0.00 0.00 54.91 54.20 1njg h ALA 138 Cb 0.59 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.30 1njg h ALA 138 CO 0.00 0.83 -0.36 1.25 0.00 0.00 0.00 179.25 180.97 1njg h LEU 139 N 0.17 0.00 -0.80 0.00 6.46 -1.55 -2.88 115.31 116.71 1njg h LEU 139 Ca -0.04 -0.60 0.10 0.00 -0.12 0.00 0.00 57.88 57.23 1njg h LEU 139 Cb 1.38 0.00 -0.08 0.00 -0.73 0.00 0.00 40.66 41.23 1njg h LEU 139 CO 0.13 1.00 0.43 0.25 -0.62 0.00 0.00 178.44 179.63 1njg h LEU 140 N -1.00 0.59 -1.06 2.25 6.46 -1.58 0.36 115.31 121.34 1njg h LEU 140 Ca -0.09 0.06 -0.08 0.00 -0.12 0.00 0.00 57.88 57.65 1njg h LEU 140 Cb 0.84 -0.05 -0.02 0.00 -0.73 0.00 0.00 40.66 40.70 1njg h LEU 140 CO -0.05 0.33 -0.16 0.50 -0.62 0.00 0.00 178.44 178.43 1njg h LYS 141 N 0.71 0.48 0.00 1.25 1.63 -1.27 0.63 116.57 120.00 1njg h LYS 141 Ca 0.39 -0.15 0.00 0.00 -0.85 0.00 0.00 60.65 60.04 1njg h LYS 141 Cb 0.40 -0.05 0.00 0.00 -0.60 0.00 0.00 32.23 31.99 1njg h LYS 141 CO -0.27 0.63 0.00 2.41 -3.45 0.00 0.00 179.45 178.77 1njg n THR 142 N -4.18 0.64 -0.09 1.00 -1.04 0.55 -3.19 114.28 107.98 1njg n THR 142 Ca 0.00 0.02 -0.07 0.00 -2.04 0.00 0.00 64.05 61.96 1njg n THR 142 Cb 0.35 -0.84 -0.16 0.00 -1.82 0.00 0.00 70.33 67.86 1njg n THR 142 CO 0.00 0.00 0.00 0.18 -0.64 0.00 0.00 175.07 174.61 1njg n LEU 143 N -2.01 0.02 0.01 -4.42 4.77 0.95 -4.15 117.00 112.17 1njg n LEU 143 Ca 0.04 0.01 -0.12 0.00 -0.03 0.00 0.00 56.01 55.92 1njg n LEU 143 Cb 0.30 0.43 -0.07 0.00 -2.33 0.00 0.00 43.42 41.76 1njg n LEU 143 CO 0.23 0.43 0.85 -0.33 -1.33 0.00 0.00 177.39 177.24 1njg h GLU 144 N 0.00 0.06 -3.13 3.23 5.08 0.21 -3.29 114.58 116.74 1njg h GLU 144 Ca -0.47 -0.01 -0.69 0.00 -1.00 0.00 0.00 59.36 57.19 1njg h GLU 144 Cb 2.09 -0.01 -0.37 0.00 0.50 0.00 0.00 28.75 30.96 1njg h GLU 144 CO 0.03 0.13 -0.16 0.39 -1.00 0.00 0.00 179.01 178.39 1njg n GLU 145 N -5.01 2.63 -1.29 2.33 1.02 -1.23 -5.07 120.64 114.01 1njg n GLU 145 Ca -0.06 -4.51 -0.60 0.00 -0.02 0.00 0.00 57.16 51.97 1njg n GLU 145 Cb 0.07 -2.38 -0.12 0.00 -0.02 0.00 0.00 31.44 28.99 1njg n GLU 145 CO 0.00 0.00 0.00 -2.30 1.18 0.00 0.00 177.13 176.01 1njg n PRO 146 N 2.02 0.06 -0.61 3.49 -0.02 -1.24 -4.89 135.00 133.81 1njg n PRO 146 Ca 0.23 0.02 -0.31 0.00 -2.02 0.00 0.00 63.50 61.42 1njg n PRO 146 Cb 0.37 -1.55 0.20 0.00 -0.02 0.00 0.00 33.50 32.50 1njg n PRO 146 CO 0.00 0.00 0.00 -2.30 1.98 0.00 0.00 175.50 175.18 1njg n PRO 147 N 7.31 -1.64 -0.10 0.52 -0.02 -1.26 -4.99 135.00 134.83 1njg n PRO 147 Ca 0.53 -0.45 -0.19 0.00 -2.02 0.00 0.00 63.50 61.37 1njg n PRO 147 Cb -0.03 -1.98 -0.06 0.00 -0.02 0.00 0.00 33.50 31.41 1njg n PRO 147 CO 0.00 0.00 0.00 -1.91 1.98 0.00 0.00 175.50 175.57 1njg n GLU 148 N -3.38 0.44 -0.08 -0.52 2.13 -1.26 -4.56 120.64 113.40 1njg n GLU 148 Ca 0.04 0.19 0.05 0.00 0.66 0.00 0.00 57.16 58.10 1njg n GLU 148 Cb 0.57 -1.25 0.20 0.00 0.27 0.00 0.00 31.44 31.23 1njg n GLU 148 CO 0.00 0.00 0.00 0.72 -0.41 0.00 0.00 177.13 177.44 1njg n HIS 149 N -4.02 0.22 -4.20 4.31 8.25 -1.26 -4.87 115.22 113.65 1njg n HIS 149 Ca -0.35 -0.11 -0.30 0.00 -0.26 0.00 0.00 57.72 56.70 1njg n HIS 149 Cb 0.71 0.00 -0.09 0.00 1.12 0.00 0.00 29.99 31.73 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 -1.78 3.54 -0.01 1.59 1.01 -1.26 0.18 120.40 123.67 1njg s VAL 150 Ca 0.19 -1.19 0.01 0.00 0.00 0.00 0.00 61.98 60.98 1njg s VAL 150 Cb 0.10 -2.67 0.00 0.00 0.00 0.00 0.00 36.38 33.81 1njg s VAL 150 CO 0.14 0.11 -0.02 -0.54 0.00 0.00 0.00 175.10 174.79 1njg s LYS 151 N -2.23 0.19 -0.18 2.72 -0.14 -0.44 -4.85 119.74 114.81 1njg s LYS 151 Ca 0.23 -0.06 -0.02 0.00 -1.36 0.00 0.00 55.97 54.76 1njg s LYS 151 Cb -0.11 -0.22 -0.01 0.00 -1.68 0.00 0.00 37.83 35.81 1njg s LYS 151 CO 0.15 0.02 -0.11 -0.06 -0.76 0.00 0.00 175.35 174.59 1njg s PHE 152 N 0.10 2.87 -0.31 3.18 0.08 -0.81 -1.91 117.98 121.19 1njg s PHE 152 Ca -0.01 -0.96 -0.00 0.00 0.12 0.00 0.00 56.93 56.08 1njg s PHE 152 Cb -0.03 -1.97 0.06 0.00 -0.57 0.00 0.00 43.02 40.51 1njg s PHE 152 CO -0.00 -0.47 0.00 -0.51 -0.10 0.00 0.00 175.22 174.14 1njg s LEU 153 N 1.02 4.02 -0.04 -0.37 1.43 0.63 -0.42 118.68 124.95 1njg s LEU 153 Ca -0.01 -1.45 -0.02 0.00 -1.03 0.00 0.00 54.13 51.61 1njg s LEU 153 Cb -0.15 -1.68 -0.04 0.00 0.03 0.00 0.00 46.19 44.35 1njg s LEU 153 CO -0.02 -0.28 0.10 -0.76 0.23 0.00 0.00 176.35 175.62 1njg s LEU 154 N 1.18 4.02 -0.03 1.79 1.43 0.41 -1.21 118.68 126.28 1njg s LEU 154 Ca -0.03 0.24 0.03 0.00 -1.03 0.00 0.00 54.13 53.34 1njg s LEU 154 Cb -0.20 -2.21 -0.00 0.00 0.03 0.00 0.00 46.19 43.81 1njg s LEU 154 CO -0.03 0.32 -0.11 0.00 0.23 0.00 0.00 176.35 176.76 1njg s ALA 155 N -1.13 0.98 0.02 4.21 0.00 -0.21 0.04 121.76 125.67 1njg s ALA 155 Ca 0.20 -0.42 -0.10 0.00 0.00 0.00 0.00 51.96 51.65 1njg s ALA 155 Cb -0.12 -0.33 0.01 0.00 0.00 0.00 0.00 23.12 22.67 1njg s ALA 155 CO 0.11 0.18 0.19 0.99 0.00 0.00 0.00 175.76 177.23 1njg s THR 156 N 0.08 0.10 -1.61 0.00 2.01 -0.10 0.59 115.64 116.71 1njg s THR 156 Ca -0.02 -0.79 0.15 0.00 0.31 0.00 0.00 61.69 61.34 1njg s THR 156 Cb -0.08 -0.75 0.05 0.00 0.01 0.00 0.00 72.50 71.73 1njg s THR 156 CO 0.01 -0.44 0.89 0.35 -0.69 0.00 0.00 174.62 174.74 1njg n THR 157 N 0.95 0.00 -3.04 -0.82 -2.24 -1.26 -2.29 114.28 105.59 1njg n THR 157 Ca -0.20 -0.42 -0.17 0.00 -2.27 0.00 0.00 64.05 60.99 1njg n THR 157 Cb 0.58 1.24 -0.02 0.00 -2.10 0.00 0.00 70.33 70.03 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 0.31 -0.70 -0.34 3.42 -0.08 -1.26 -4.79 116.55 113.10 1njg n ASP 158 Ca 0.07 -3.01 0.23 0.00 -1.51 0.00 0.00 54.79 50.58 1njg n ASP 158 Cb 0.34 0.23 0.48 0.00 2.34 0.00 0.00 41.12 44.51 1njg n ASP 158 CO 0.00 0.00 0.00 -0.65 0.12 0.00 0.00 177.20 176.67 1njg h PRO 159 N 3.70 0.40 0.00 -0.67 0.11 -1.97 -1.22 132.00 132.35 1njg h PRO 159 Ca 0.01 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 66.09 1njg h PRO 159 Cb 0.96 -0.09 0.00 0.00 0.11 0.00 0.00 31.00 31.98 1njg h PRO 159 CO 0.40 0.26 0.00 1.04 -0.21 0.00 0.00 178.00 179.50 1njg n GLN 160 N -4.77 0.03 0.00 1.05 6.02 -1.26 -1.75 117.38 116.71 1njg n GLN 160 Ca 0.28 0.41 0.13 0.00 -0.01 0.00 0.00 57.00 57.81 1njg n GLN 160 Cb 0.91 -1.58 0.38 0.00 1.02 0.00 0.00 30.24 30.97 1njg n GLN 160 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 177.06 177.68 1njg n LYS 161 N -1.64 0.13 -3.15 -1.09 4.76 -0.46 -4.89 118.16 111.81 1njg n LYS 161 Ca 0.01 -0.06 -0.33 0.00 -2.87 0.00 0.00 58.31 55.06 1njg n LYS 161 Cb 0.09 -1.50 -0.06 0.00 -1.84 0.00 0.00 35.03 31.72 1njg n LYS 161 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 1njg s LEU 162 N -2.91 4.09 0.49 -0.35 1.43 -0.71 -4.98 118.68 115.74 1njg s LEU 162 Ca 0.14 1.27 -0.22 0.00 -1.03 0.00 0.00 54.13 54.29 1njg s LEU 162 Cb 0.18 -4.02 -0.09 0.00 0.03 0.00 0.00 46.19 42.30 1njg s LEU 162 CO 0.62 -0.18 0.95 -2.65 0.23 0.00 0.00 176.35 175.32 1njg n PRO 163 N -0.26 1.14 -0.18 1.29 -0.02 -1.26 -4.82 135.00 130.89 1njg n PRO 163 Ca 0.03 0.42 -0.04 0.00 -2.02 0.00 0.00 63.50 61.89 1njg n PRO 163 Cb 0.53 -2.05 0.15 0.00 -0.02 0.00 0.00 33.50 32.11 1njg n PRO 163 CO 0.00 0.00 0.00 -0.24 1.98 0.00 0.00 175.50 177.24 1njg h VAL 164 N 1.10 1.24 -0.60 -1.45 3.04 -1.96 -1.38 116.25 116.24 1njg h VAL 164 Ca -0.46 -0.83 0.12 0.00 -1.01 0.00 0.00 66.70 64.52 1njg h VAL 164 Cb 1.35 0.57 -0.09 0.00 -2.01 0.00 0.00 31.29 31.11 1njg h VAL 164 CO 0.54 0.32 0.07 0.00 -1.01 0.00 0.00 177.57 177.49 1njg h THR 165 N 0.91 0.58 -0.00 3.17 1.03 -1.99 -2.50 112.91 114.10 1njg h THR 165 Ca 0.20 -0.06 -0.21 0.00 -0.01 0.00 0.00 66.41 66.33 1njg h THR 165 Cb 0.28 0.37 0.02 0.00 -1.07 0.00 0.00 68.15 67.75 1njg h THR 165 CO -0.01 0.03 -0.82 0.40 -0.01 0.00 0.00 175.52 175.12 1njg h ILE 166 N 0.19 1.35 -0.80 0.00 2.04 -1.80 -3.34 117.51 115.16 1njg h ILE 166 Ca 0.31 -2.16 0.11 0.00 1.00 0.00 0.00 64.86 64.12 1njg h ILE 166 Cb 0.49 2.49 -0.08 0.00 -0.74 0.00 0.00 36.82 38.98 1njg h ILE 166 CO -0.45 0.65 0.43 -0.07 0.00 0.00 0.00 178.15 178.70 1njg h LEU 167 N 0.14 0.57 -0.34 1.44 3.38 -0.86 0.11 115.31 119.74 1njg h LEU 167 Ca -0.10 0.06 0.00 0.00 0.09 0.00 0.00 57.88 57.93 1njg h LEU 167 Cb 1.50 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 42.21 1njg h LEU 167 CO 0.16 0.31 0.00 -1.54 0.09 0.00 0.00 178.44 177.46 1njg n SER 168 N -4.81 0.48 -0.09 -0.43 3.41 -0.98 -3.54 113.62 107.66 1njg n SER 168 Ca 0.14 -2.00 -0.13 0.00 -0.26 0.00 0.00 58.87 56.61 1njg n SER 168 Cb 0.32 -0.07 -0.08 0.00 -0.26 0.00 0.00 64.21 64.11 1njg n SER 168 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 1njg n ARG 169 N -0.25 0.44 -3.39 4.33 5.12 -0.01 -5.01 116.66 117.89 1njg n ARG 169 Ca 0.03 0.11 -0.31 0.00 -1.93 0.00 0.00 57.85 55.75 1njg n ARG 169 Cb 0.08 -1.34 -0.05 0.00 -1.16 0.00 0.00 32.46 29.99 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 -2.99 4.12 -0.02 0.00 2.96 -1.14 -4.83 118.68 116.77 1njg s LEU 171 Ca 0.47 1.19 -0.03 0.00 -0.22 0.00 0.00 54.13 55.53 1njg s LEU 171 Cb -0.11 -3.31 -0.04 0.00 0.50 0.00 0.00 46.19 43.23 1njg s LEU 171 CO 0.23 -0.52 0.17 -1.58 -1.32 0.00 0.00 176.35 173.33 1njg s GLN 172 N 2.72 3.41 -0.10 1.98 0.74 -1.26 -0.65 119.66 126.51 1njg s GLN 172 Ca 0.39 -0.31 0.00 0.00 0.05 0.00 0.00 55.36 55.49 1njg s GLN 172 Cb -0.16 -3.09 0.02 0.00 1.10 0.00 0.00 33.01 30.88 1njg s GLN 172 CO 0.09 0.69 -0.09 -0.06 -0.55 0.00 0.00 175.29 175.37 1njg s PHE 173 N -1.27 1.49 -0.51 1.67 0.08 0.25 -4.95 117.98 114.73 1njg s PHE 173 Ca 0.25 -0.70 -0.14 0.00 0.12 0.00 0.00 56.93 56.47 1njg s PHE 173 Cb -0.12 -1.19 0.12 0.00 -0.57 0.00 0.00 43.02 41.26 1njg s PHE 173 CO 0.16 -0.45 0.45 -1.01 -0.10 0.00 0.00 175.22 174.26 1njg s HIS 174 N 1.42 3.31 0.40 0.36 3.76 -1.26 -1.33 115.29 121.94 1njg s HIS 174 Ca -0.00 -1.46 -0.23 0.00 -0.15 0.00 0.00 55.06 53.22 1njg s HIS 174 Cb -0.13 -3.67 -0.11 0.00 1.11 0.00 0.00 32.58 29.78 1njg s HIS 174 CO -0.05 -1.00 0.95 -0.51 -0.85 0.00 0.00 174.74 173.28 1njg s LEU 175 N 1.53 4.07 0.11 0.89 1.02 -0.47 -4.92 118.68 120.90 1njg s LEU 175 Ca 0.04 1.75 0.08 0.00 0.02 0.00 0.00 54.13 56.01 1njg s LEU 175 Cb -0.29 -4.37 -0.04 0.00 0.02 0.00 0.00 46.19 41.52 1njg s LEU 175 CO 0.02 -0.28 -0.20 -0.54 0.02 0.00 0.00 176.35 175.38 1njg s LYS 176 N -2.82 1.13 0.64 1.70 1.02 -1.26 -4.48 119.74 115.67 1njg s LYS 176 Ca 0.58 -1.20 -0.18 0.00 0.02 0.00 0.00 55.97 55.19 1njg s LYS 176 Cb -0.12 -1.32 -0.02 0.00 -0.52 0.00 0.00 37.83 35.85 1njg s LYS 176 CO 0.17 0.30 1.26 0.00 -0.92 0.00 0.00 175.35 176.15 1njg s ALA 177 N -1.40 2.41 0.11 5.17 0.00 -1.26 -4.85 121.76 121.94 1njg s ALA 177 Ca 0.08 1.13 -0.22 0.00 0.00 0.00 0.00 51.96 52.95 1njg s ALA 177 Cb -0.09 -3.52 -0.07 0.00 0.00 0.00 0.00 23.12 19.44 1njg s ALA 177 CO 0.05 -1.48 0.67 -0.51 0.00 0.00 0.00 175.76 174.48 1njg s LEU 178 N -4.33 4.55 0.81 0.00 1.43 -0.07 -4.95 118.68 116.13 1njg s LEU 178 Ca 0.80 1.43 -0.11 0.00 -1.03 0.00 0.00 54.13 55.22 1njg s LEU 178 Cb -0.35 -3.08 0.07 0.00 0.03 0.00 0.00 46.19 42.87 1njg s LEU 178 CO 0.38 0.24 1.09 1.51 0.23 0.00 0.00 176.35 179.80 1njg s ASP 179 N -1.07 4.40 0.28 2.29 1.47 -1.26 -3.35 116.67 119.42 1njg s ASP 179 Ca 0.32 1.34 0.01 0.00 1.18 0.00 0.00 52.55 55.41 1njg s ASP 179 Cb -0.21 -2.08 0.63 0.00 -0.34 0.00 0.00 42.92 40.92 1njg s ASP 179 CO 0.22 -2.03 1.73 0.58 0.68 0.00 0.00 175.17 176.35 1njg h VAL 180 N -1.13 0.60 0.44 2.11 2.07 -1.97 -2.76 116.25 115.61 1njg h VAL 180 Ca -0.47 -0.17 -0.01 0.00 0.82 0.00 0.00 66.70 66.86 1njg h VAL 180 Cb 1.27 0.05 -0.01 0.00 -1.52 0.00 0.00 31.29 31.07 1njg h VAL 180 CO 0.59 0.09 -0.33 -0.08 0.02 0.00 0.00 177.57 177.86 1njg h GLU 181 N 0.51 -0.73 -0.95 1.57 4.22 -1.97 0.14 114.58 117.38 1njg h GLU 181 Ca 0.51 0.05 0.14 0.00 0.08 0.00 0.00 59.36 60.14 1njg h GLU 181 Cb 0.85 0.17 -0.08 0.00 0.50 0.00 0.00 28.75 30.19 1njg h GLU 181 CO -0.44 -0.49 0.60 1.96 -2.18 0.00 0.00 179.01 178.46 1njg h GLN 182 N -0.76 0.77 -0.09 1.92 4.20 -1.86 0.65 115.11 119.94 1njg h GLN 182 Ca -0.04 -0.05 -0.15 0.00 0.06 0.00 0.00 58.65 58.48 1njg h GLN 182 Cb 0.65 -0.17 0.01 0.00 0.30 0.00 0.00 27.48 28.27 1njg h GLN 182 CO 0.00 0.51 -0.52 0.82 -0.67 0.00 0.00 178.83 178.97 1njg h ILE 183 N 0.79 1.38 -0.79 2.54 2.04 -1.26 -2.45 117.51 119.75 1njg h ILE 183 Ca 0.48 -1.86 -0.01 0.00 1.00 0.00 0.00 64.86 64.47 1njg h ILE 183 Cb 0.69 2.26 -0.04 0.00 -0.74 0.00 0.00 36.82 38.98 1njg h ILE 183 CO -0.25 0.56 0.46 -0.09 0.00 0.00 0.00 178.15 178.83 1njg h ARG 184 N 0.08 1.09 0.07 2.37 2.43 -0.06 -1.14 114.38 119.21 1njg h ARG 184 Ca -0.04 -0.11 -0.00 0.00 -0.81 0.00 0.00 59.98 59.02 1njg h ARG 184 Cb 1.17 -0.22 0.00 0.00 -0.42 0.00 0.00 29.97 30.50 1njg h ARG 184 CO 0.11 0.78 -0.03 1.25 -1.51 0.00 0.00 179.97 180.56 1njg h HIS 185 N 1.09 -0.08 -0.80 2.20 2.76 -0.91 0.09 115.15 119.50 1njg h HIS 185 Ca 0.28 -0.00 -0.03 0.00 -2.20 0.00 0.00 60.37 58.42 1njg h HIS 185 Cb -0.02 0.03 -0.04 0.00 1.55 0.00 0.00 27.41 28.93 1njg h HIS 185 CO -0.00 0.03 0.39 0.37 -1.30 0.00 0.00 177.93 177.42 1njg h GLN 186 N -0.18 1.15 -0.13 5.26 5.75 -1.26 0.08 115.11 125.78 1njg h GLN 186 Ca -0.01 -0.16 -0.01 0.00 -0.15 0.00 0.00 58.65 58.32 1njg h GLN 186 Cb 0.15 -0.21 -0.01 0.00 1.07 0.00 0.00 27.48 28.49 1njg h GLN 186 CO 0.02 0.88 0.06 -0.07 -2.65 0.00 0.00 178.83 177.07 1njg h LEU 187 N 1.14 0.18 -0.47 -2.39 3.38 -1.05 0.36 115.31 116.47 1njg h LEU 187 Ca 0.28 -0.14 0.05 0.00 0.09 0.00 0.00 57.88 58.16 1njg h LEU 187 Cb 0.11 -0.05 -0.05 0.00 0.09 0.00 0.00 40.66 40.76 1njg h LEU 187 CO -0.04 0.27 0.19 -0.08 0.09 0.00 0.00 178.44 178.88 1njg h GLU 188 N 0.08 0.37 0.30 1.13 4.81 -0.56 -0.90 114.58 119.80 1njg h GLU 188 Ca 0.05 -0.02 -0.01 0.00 -0.13 0.00 0.00 59.36 59.24 1njg h GLU 188 Cb 0.15 -0.08 0.00 0.00 0.63 0.00 0.00 28.75 29.44 1njg h GLU 188 CO -0.00 0.25 -0.14 1.25 -0.73 0.00 0.00 179.01 179.63 1njg h HIS 189 N 0.38 -0.37 -0.29 0.92 2.76 -0.71 -2.41 115.15 115.43 1njg h HIS 189 Ca 0.21 -0.01 0.07 0.00 -2.20 0.00 0.00 60.37 58.44 1njg h HIS 189 Cb 0.18 0.12 -0.07 0.00 1.55 0.00 0.00 27.41 29.20 1njg h HIS 189 CO -0.14 -0.12 -0.18 0.82 -1.30 0.00 0.00 177.93 177.02 1njg h ILE 190 N -0.56 0.49 0.00 6.26 2.04 0.02 -2.03 117.51 123.73 1njg h ILE 190 Ca -0.04 0.00 -0.05 0.00 1.00 0.00 0.00 64.86 65.77 1njg h ILE 190 Cb 0.41 0.49 -0.01 0.00 -0.74 0.00 0.00 36.82 36.98 1njg h ILE 190 CO 0.07 0.00 -0.24 -0.07 0.00 0.00 0.00 178.15 177.90 1njg h LEU 191 N -0.15 0.00 -1.07 1.44 3.38 -1.20 -1.89 115.31 115.81 1njg h LEU 191 Ca 0.15 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.12 1njg h LEU 191 Cb 0.38 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.13 1njg h LEU 191 CO -0.38 0.24 0.00 0.78 0.09 0.00 0.00 178.44 179.17 1njg h ASN 192 N 0.00 0.00 0.16 -0.43 4.21 -0.84 0.67 115.58 119.34 1njg h ASN 192 Ca -0.00 0.00 -0.07 0.00 1.21 0.00 0.00 56.30 57.44 1njg h ASN 192 Cb 0.44 0.00 -0.01 0.00 -1.12 0.00 0.00 38.32 37.63 1njg h ASN 192 CO 0.03 0.00 -1.91 1.21 -1.29 0.00 0.00 177.43 175.47 1njg n GLU 193 N -2.91 0.66 0.01 0.81 2.13 -0.84 -3.61 120.64 116.88 1njg n GLU 193 Ca 0.02 -0.11 0.12 0.00 0.66 0.00 0.00 57.16 57.85 1njg n GLU 193 Cb 0.33 -1.57 0.27 0.00 0.27 0.00 0.00 31.44 30.74 1njg n GLU 193 CO 0.00 0.00 0.00 0.39 -0.41 0.00 0.00 177.13 177.11 1njg n GLU 194 N -2.42 0.05 -2.51 5.31 -0.58 -0.77 -4.96 120.64 114.76 1njg n GLU 194 Ca -0.08 0.01 -0.00 0.00 -0.42 0.00 0.00 57.16 56.67 1njg n GLU 194 Cb 0.67 -1.53 0.00 0.00 -0.57 0.00 0.00 31.44 30.01 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 -1.61 -1.94 -4.07 -0.32 8.25 0.96 -5.05 115.22 111.45 1njg n HIS 195 Ca 0.05 0.74 -0.31 0.00 -0.26 0.00 0.00 57.72 57.94 1njg n HIS 195 Cb 0.35 -3.20 -0.16 0.00 1.12 0.00 0.00 29.99 28.10 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 -3.00 1.68 0.80 1.59 1.01 0.19 -5.00 121.20 118.47 1njg s ILE 196 Ca 0.00 -0.70 -0.14 0.00 0.00 0.00 0.00 60.65 59.81 1njg s ILE 196 Cb -0.00 -1.56 0.07 0.00 0.01 0.00 0.00 42.46 40.98 1njg s ILE 196 CO 0.49 0.48 1.16 0.00 0.00 0.00 0.00 174.94 177.07 1njg n ALA 197 N 4.70 -0.05 -3.58 9.38 0.00 -1.26 -4.60 120.51 125.10 1njg n ALA 197 Ca -0.18 -0.31 -0.05 0.00 0.00 0.00 0.00 53.44 52.90 1njg n ALA 197 Cb 0.50 -2.23 -0.02 0.00 0.00 0.00 0.00 19.45 17.71 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 -2.06 -0.20 -0.17 0.00 -3.43 -1.26 -2.42 115.29 105.75 1njg s HIS 198 Ca 0.73 0.09 0.01 0.00 -0.80 0.00 0.00 55.06 55.10 1njg s HIS 198 Cb -0.30 0.54 0.01 0.00 -1.43 0.00 0.00 32.58 31.40 1njg s HIS 198 CO 0.51 -0.39 -0.19 -2.00 -2.00 0.00 0.00 174.74 170.67 1njg s GLU 199 N -2.75 3.06 0.23 -0.38 -6.30 -0.73 -5.01 118.70 106.82 1njg s GLU 199 Ca 0.08 -0.81 -0.09 0.00 -2.50 0.00 0.00 54.97 51.65 1njg s GLU 199 Cb -0.00 -2.57 0.34 0.00 0.00 0.00 0.00 34.13 31.90 1njg s GLU 199 CO -0.06 -0.11 1.32 -2.30 0.02 0.00 0.00 175.26 174.13 1njg n PRO 200 N 4.38 -0.11 -0.29 4.30 -0.02 -1.26 -0.08 135.00 141.91 1njg n PRO 200 Ca -0.20 1.32 0.09 0.00 -2.02 0.00 0.00 63.50 62.68 1njg n PRO 200 Cb 0.51 -1.97 0.21 0.00 -0.02 0.00 0.00 33.50 32.23 1njg n PRO 200 CO 0.00 0.00 0.00 -0.09 1.98 0.00 0.00 175.50 177.39 1njg h ARG 201 N 0.00 0.08 0.11 -0.52 9.65 -1.96 -1.20 114.38 120.55 1njg h ARG 201 Ca 0.38 -0.00 0.01 0.00 -1.10 0.00 0.00 59.98 59.26 1njg h ARG 201 Cb 0.59 -0.02 -0.04 0.00 -1.39 0.00 0.00 29.97 29.12 1njg h ARG 201 CO -0.87 0.05 -0.42 0.00 2.80 0.00 0.00 179.97 181.54 1njg h ALA 202 N 1.81 -0.92 -0.89 2.80 0.00 -0.79 0.94 119.26 122.21 1njg h ALA 202 Ca 0.48 -0.09 0.08 0.00 0.00 0.00 0.00 54.91 55.38 1njg h ALA 202 Cb 0.91 0.80 -0.06 0.00 0.00 0.00 0.00 17.79 19.44 1njg h ALA 202 CO -0.76 -1.01 0.58 -0.07 0.00 0.00 0.00 179.25 177.99 1njg h LEU 203 N -0.61 0.85 -1.35 0.00 3.38 -1.38 0.63 115.31 116.84 1njg h LEU 203 Ca -0.01 0.01 -0.03 0.00 0.09 0.00 0.00 57.88 57.95 1njg h LEU 203 Cb 0.60 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 41.17 1njg h LEU 203 CO -0.22 0.53 0.11 -0.61 0.09 0.00 0.00 178.44 178.35 1njg h GLN 204 N 0.96 0.55 0.20 1.13 5.75 -0.73 0.40 115.11 123.37 1njg h GLN 204 Ca 0.39 -0.08 -0.01 0.00 -0.15 0.00 0.00 58.65 58.80 1njg h GLN 204 Cb 0.28 -0.10 0.00 0.00 1.07 0.00 0.00 27.48 28.73 1njg h GLN 204 CO -0.16 0.49 -0.09 -0.07 -2.65 0.00 0.00 178.83 176.35 1njg h LEU 205 N 0.55 -0.22 -0.66 -2.39 3.38 0.24 -2.17 115.31 114.04 1njg h LEU 205 Ca 0.13 -0.28 0.12 0.00 0.09 0.00 0.00 57.88 57.95 1njg h LEU 205 Cb 0.18 0.06 -0.09 0.00 0.09 0.00 0.00 40.66 40.89 1njg h LEU 205 CO -0.01 0.20 0.18 -0.07 0.09 0.00 0.00 178.44 178.83 1njg h LEU 206 N -0.70 0.08 0.21 1.67 3.38 0.46 0.64 115.31 121.05 1njg h LEU 206 Ca -0.03 0.11 0.01 0.00 0.09 0.00 0.00 57.88 58.06 1njg h LEU 206 Cb 0.49 0.14 -0.02 0.00 0.09 0.00 0.00 40.66 41.36 1njg h LEU 206 CO 0.04 0.03 -0.23 0.00 0.09 0.00 0.00 178.44 178.38 1njg h ALA 207 N 1.51 -0.45 -0.11 1.53 0.00 -0.18 -1.05 119.26 120.52 1njg h ALA 207 Ca 0.35 -0.06 -0.07 0.00 0.00 0.00 0.00 54.91 55.12 1njg h ALA 207 Cb 0.53 0.33 -0.01 0.00 0.00 0.00 0.00 17.79 18.64 1njg h ALA 207 CO -0.41 -0.78 -0.27 0.00 0.00 0.00 0.00 179.25 177.78 1njg h ARG 208 N -0.47 0.19 0.00 0.00 3.08 -0.84 -2.58 114.38 113.76 1njg h ARG 208 Ca 0.00 -0.06 -0.05 0.00 0.07 0.00 0.00 59.98 59.93 1njg h ARG 208 Cb 0.45 -0.02 -0.01 0.00 0.08 0.00 0.00 29.97 30.48 1njg h ARG 208 CO -0.06 0.46 -0.26 0.00 -1.07 0.00 0.00 179.97 179.03 1njg h ALA 209 N 1.55 1.55 -0.01 0.04 0.00 0.88 -3.07 119.26 120.20 1njg h ALA 209 Ca 0.03 -0.24 0.00 0.00 0.00 0.00 0.00 54.91 54.70 1njg h ALA 209 Cb 0.58 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.32 1njg h ALA 209 CO 0.04 0.32 -0.04 0.00 0.00 0.00 0.00 179.25 179.58 1njg n ALA 210 N -2.48 2.67 -4.16 0.00 0.00 -0.45 -4.99 120.51 111.10 1njg n ALA 210 Ca -0.02 -0.38 -0.43 0.00 0.00 0.00 0.00 53.44 52.61 1njg n ALA 210 Cb 0.31 -1.24 -0.02 0.00 0.00 0.00 0.00 19.45 18.51 1njg n ALA 210 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1njg n GLU 211 N -0.23 -0.45 -1.00 0.00 -0.58 -1.16 -1.96 120.64 115.26 1njg n GLU 211 Ca 0.19 0.07 0.00 0.00 -0.42 0.00 0.00 57.16 57.00 1njg n GLU 211 Cb 0.30 -2.81 0.00 0.00 -0.57 0.00 0.00 31.44 28.36 1njg n GLU 211 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1njg n GLY 212 N -2.25 0.48 3.11 0.62 0.00 -1.21 -4.85 105.19 101.09 1njg n GLY 212 Ca -0.18 -0.20 -0.31 0.00 0.00 0.00 0.00 46.02 45.33 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 -2.18 2.85 0.15 1.61 0.15 -0.83 -0.89 113.70 114.57 1njg s SER 213 Ca 0.00 -0.54 0.26 0.00 0.70 0.00 0.00 55.95 56.37 1njg s SER 213 Cb 0.00 -1.31 0.80 0.00 -1.71 0.00 0.00 66.02 63.80 1njg s SER 213 CO 0.00 0.04 1.72 -0.11 1.20 0.00 0.00 173.24 176.08 1njg n LEU 214 N 4.25 0.65 -0.03 3.45 7.94 -1.26 -2.17 117.00 129.83 1njg n LEU 214 Ca -0.19 0.49 -0.13 0.00 -1.11 0.00 0.00 56.01 55.06 1njg n LEU 214 Cb 0.51 -0.33 -0.11 0.00 0.53 0.00 0.00 43.42 44.03 1njg n LEU 214 CO 0.25 -0.12 0.50 -0.09 -1.11 0.00 0.00 177.39 176.82 1njg h ARG 215 N 0.00 -0.02 0.03 1.96 2.43 -1.94 -2.99 114.38 113.84 1njg h ARG 215 Ca 0.00 0.00 -0.00 0.00 -0.81 0.00 0.00 59.98 59.17 1njg h ARG 215 Cb 0.69 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.24 1njg h ARG 215 CO 0.00 0.67 -0.01 -0.44 -1.51 0.00 0.00 179.97 178.68 1njg h ASP 216 N -0.75 -0.03 -0.92 -3.80 3.32 -1.88 -2.23 116.42 110.14 1njg h ASP 216 Ca -0.00 -0.20 0.19 0.00 0.02 0.00 0.00 57.03 57.04 1njg h ASP 216 Cb 0.70 0.01 -0.07 0.00 0.22 0.00 0.00 39.33 40.19 1njg h ASP 216 CO 0.00 0.18 0.59 0.00 -1.72 0.00 0.00 179.24 178.30 1njg h ALA 217 N 0.72 2.03 0.00 3.45 0.00 -1.57 0.45 119.26 124.34 1njg h ALA 217 Ca -0.00 0.03 -0.10 0.00 0.00 0.00 0.00 54.91 54.84 1njg h ALA 217 Cb 0.23 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 17.94 1njg h ALA 217 CO 0.01 -0.32 -0.46 -0.07 0.00 0.00 0.00 179.25 178.41 1njg h LEU 218 N 0.53 0.00 0.00 0.00 3.38 -1.32 -0.51 115.31 117.39 1njg h LEU 218 Ca 0.48 0.00 -0.23 0.00 0.09 0.00 0.00 57.88 58.22 1njg h LEU 218 Cb 1.02 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.73 1njg h LEU 218 CO -0.22 0.46 -1.29 -1.28 0.09 0.00 0.00 178.44 176.20 1njg h SER 219 N 0.00 0.00 1.26 -0.43 0.87 0.14 -2.98 113.55 112.42 1njg h SER 219 Ca -0.00 0.00 -0.07 0.00 -1.23 0.00 0.00 61.79 60.49 1njg h SER 219 Cb 0.86 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 62.81 1njg h SER 219 CO 0.06 0.90 -0.33 -0.07 -0.53 0.00 0.00 176.83 176.85 1njg h LEU 220 N 0.00 0.00 0.06 2.23 3.38 -0.07 -2.16 115.31 118.75 1njg h LEU 220 Ca -0.14 0.00 -0.20 0.00 0.09 0.00 0.00 57.88 57.63 1njg h LEU 220 Cb 1.81 0.00 0.02 0.00 0.09 0.00 0.00 40.66 42.58 1njg h LEU 220 CO 0.09 0.33 -0.83 0.74 0.09 0.00 0.00 178.44 178.87 1njg h THR 221 N 0.00 1.41 -0.20 0.22 2.02 -1.14 -0.03 112.91 115.20 1njg h THR 221 Ca -0.00 -2.29 -0.06 0.00 0.77 0.00 0.00 66.41 64.83 1njg h THR 221 Cb 1.06 2.76 -0.01 0.00 -1.74 0.00 0.00 68.15 70.22 1njg h THR 221 CO 0.04 0.67 -0.12 0.44 0.37 0.00 0.00 175.52 176.92 1njg h ASP 222 N -0.06 0.30 0.90 4.18 3.32 -1.48 -0.66 116.42 122.92 1njg h ASP 222 Ca -0.12 -0.07 -0.23 0.00 0.02 0.00 0.00 57.03 56.64 1njg h ASP 222 Cb 1.56 -0.08 -0.03 0.00 0.22 0.00 0.00 39.33 41.00 1njg h ASP 222 CO 0.16 0.46 -1.11 1.56 -1.72 0.00 0.00 179.24 178.59 1njg h GLN 223 N 0.30 0.03 0.00 3.56 4.20 -1.42 -3.17 115.11 118.61 1njg h GLN 223 Ca 0.06 -0.05 -0.04 0.00 0.06 0.00 0.00 58.65 58.69 1njg h GLN 223 Cb 0.41 0.02 -0.01 0.00 0.30 0.00 0.00 27.48 28.20 1njg h GLN 223 CO 0.02 0.96 -0.17 0.00 -0.67 0.00 0.00 178.83 178.98 1njg h ALA 224 N 0.96 1.04 -0.09 3.87 0.00 -0.34 -0.78 119.26 123.92 1njg h ALA 224 Ca -0.06 -0.16 -0.12 0.00 0.00 0.00 0.00 54.91 54.58 1njg h ALA 224 Cb 1.82 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 19.57 1njg h ALA 224 CO 0.13 0.21 -0.47 0.82 0.00 0.00 0.00 179.25 179.94 1njg h ILE 225 N 0.00 1.34 0.05 0.00 1.08 -1.11 -3.23 117.51 115.64 1njg h ILE 225 Ca -0.00 -1.67 -0.00 0.00 -0.39 0.00 0.00 64.86 62.80 1njg h ILE 225 Cb 0.66 1.79 0.00 0.00 -3.07 0.00 0.00 36.82 36.21 1njg h ILE 225 CO 0.02 0.49 -0.03 0.00 -0.69 0.00 0.00 178.15 177.95 1njg h ALA 226 N 1.33 -0.07 -3.00 1.87 0.00 -1.16 -0.86 119.26 117.37 1njg h ALA 226 Ca 0.01 -0.23 0.00 0.00 0.00 0.00 0.00 54.91 54.69 1njg h ALA 226 Cb 0.90 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.72 1njg h ALA 226 CO 0.07 -0.30 0.00 0.45 0.00 0.00 0.00 179.25 179.47 1njg n SER 227 N -4.90 0.00 -4.70 0.00 2.88 -1.01 -4.01 113.62 101.89 1njg n SER 227 Ca -0.08 0.25 -0.40 0.00 -1.33 0.00 0.00 58.87 57.30 1njg n SER 227 Cb 0.25 0.00 -0.04 0.00 -0.75 0.00 0.00 64.21 63.67 1njg n SER 227 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 1njg s GLY 228 N 0.00 2.47 0.08 0.46 0.00 -1.24 -4.97 107.32 104.11 1njg s GLY 228 Ca 0.00 0.12 -0.32 0.00 0.00 0.00 0.00 44.72 44.53 1njg s GLY 228 CO 0.00 1.38 1.85 2.09 0.00 0.00 0.00 173.10 178.42 1njg n ASP 229 N 4.28 3.90 -4.04 1.64 5.75 -1.22 -3.85 116.55 123.01 1njg n ASP 229 Ca 0.01 0.98 -0.43 0.00 -0.01 0.00 0.00 54.79 55.33 1njg n ASP 229 Cb 0.50 -1.51 0.02 0.00 -1.03 0.00 0.00 41.12 39.10 1njg n ASP 229 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1njg n GLY 230 N 4.25 -0.89 0.00 6.12 0.00 -0.33 -4.96 105.19 109.38 1njg n GLY 230 Ca 0.19 0.37 0.00 0.00 0.00 0.00 0.00 46.02 46.58 1njg n GLY 230 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 1njg n GLN 231 N -4.64 0.00 -2.63 1.61 7.27 -1.25 -4.74 117.38 112.99 1njg n GLN 231 Ca -0.14 0.00 -0.43 0.00 0.07 0.00 0.00 57.00 56.49 1njg n GLN 231 Cb 0.57 0.00 0.00 0.00 2.41 0.00 0.00 30.24 33.22 1njg n GLN 231 CO 0.00 0.00 0.00 0.28 0.07 0.00 0.00 177.06 177.41 1njg n VAL 232 N 0.00 4.23 -3.53 1.69 0.31 -1.02 -4.71 118.33 115.30 1njg n VAL 232 Ca 0.00 -4.47 -0.33 0.00 -0.01 0.00 0.00 64.34 59.53 1njg n VAL 232 Cb 0.00 -2.42 -0.05 0.00 -0.91 0.00 0.00 33.84 30.46 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 2.22 6.60 0.01 4.52 1.04 -1.26 -1.76 113.70 125.06 1njg s SER 233 Ca 0.43 0.79 -0.02 0.00 0.48 0.00 0.00 55.95 57.62 1njg s SER 233 Cb 0.03 -2.17 -0.01 0.00 0.10 0.00 0.00 66.02 63.97 1njg s SER 233 CO 0.01 0.03 0.70 0.41 0.98 0.00 0.00 173.24 175.37 1njg n THR 234 N 0.22 -0.05 0.26 2.02 -1.04 -1.26 0.84 114.28 115.27 1njg n THR 234 Ca -0.03 1.05 0.10 0.00 -2.04 0.00 0.00 64.05 63.14 1njg n THR 234 Cb 0.52 -1.39 0.69 0.00 -1.82 0.00 0.00 70.33 68.34 1njg n THR 234 CO 0.00 0.00 0.00 1.56 -0.64 0.00 0.00 175.07 175.99 1njg h GLN 235 N 0.00 0.00 0.01 -2.82 4.20 -1.97 -1.77 115.11 112.77 1njg h GLN 235 Ca 0.01 0.00 0.01 0.00 0.06 0.00 0.00 58.65 58.73 1njg h GLN 235 Cb 0.03 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 27.79 1njg h GLN 235 CO -0.07 0.07 -0.08 0.00 -0.67 0.00 0.00 178.83 178.08 1njg h ALA 236 N 1.93 -0.10 -0.17 3.87 0.00 0.10 1.08 119.26 125.97 1njg h ALA 236 Ca -0.00 0.00 -0.17 0.00 0.00 0.00 0.00 54.91 54.74 1njg h ALA 236 Cb 0.15 0.14 0.01 0.00 0.00 0.00 0.00 17.79 18.08 1njg h ALA 236 CO 0.01 -0.58 -0.57 0.28 0.00 0.00 0.00 179.25 178.39 1njg h VAL 237 N -0.15 1.31 -0.01 0.00 2.07 -0.99 -2.59 116.25 115.90 1njg h VAL 237 Ca 0.03 -1.81 -0.12 0.00 0.82 0.00 0.00 66.70 65.62 1njg h VAL 237 Cb 0.18 1.96 -0.02 0.00 -1.52 0.00 0.00 31.29 31.90 1njg h VAL 237 CO -0.08 0.57 -0.56 -1.28 0.02 0.00 0.00 177.57 176.24 1njg h SER 238 N 0.38 0.02 0.40 0.57 0.87 -1.19 -1.64 113.55 112.97 1njg h SER 238 Ca -0.02 -0.01 -0.02 0.00 -1.23 0.00 0.00 61.79 60.50 1njg h SER 238 Cb 1.20 -0.01 0.00 0.00 -0.44 0.00 0.00 62.40 63.16 1njg h SER 238 CO 0.12 0.58 -0.19 0.00 -0.53 0.00 0.00 176.83 176.81 1njg h ALA 239 N 1.42 -0.65 0.00 6.23 0.00 0.12 0.84 119.26 127.23 1njg h ALA 239 Ca -0.01 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.79 1njg h ALA 239 Cb 0.99 0.21 0.00 0.00 0.00 0.00 0.00 17.79 18.99 1njg h ALA 239 CO 0.07 -0.61 0.00 0.00 0.00 0.00 0.00 179.25 178.71 1njg n MET 240 N -4.54 0.01 -0.07 0.00 0.00 -0.98 -2.50 117.12 109.05 1njg n MET 240 Ca -0.07 0.38 -0.05 0.00 0.00 0.00 0.00 57.70 57.96 1njg n MET 240 Cb 0.21 -1.51 -0.03 0.00 0.00 0.00 0.00 33.22 31.89 1njg n MET 240 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 175.97 175.90 1njg h LEU 241 N 0.00 0.00 -0.69 3.17 -0.00 -1.13 -3.50 115.31 113.17 1njg h LEU 241 Ca 0.00 -0.11 0.00 0.00 -0.00 0.00 0.00 57.88 57.77 1njg h LEU 241 Cb 0.13 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 40.79 1njg h LEU 241 CO 0.00 0.75 0.00 0.61 -0.00 0.00 0.00 178.44 179.80 1njg n GLY 242 N 1.66 0.57 0.00 0.83 0.00 0.29 -5.05 105.19 103.49 1njg n GLY 242 Ca -0.07 -0.20 0.00 0.00 0.00 0.00 0.00 46.02 45.75 1njg n GLY 242 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73