#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1nji s GLN 2 N 0.00 3.48 -0.20 2.12 1.03 -1.26 -0.37 119.66 124.46 1nji s GLN 2 Ca 0.00 -0.32 0.00 0.00 0.04 0.00 0.00 55.36 55.08 1nji s GLN 2 Cb 0.00 -3.04 0.05 0.00 0.03 0.00 0.00 33.01 30.05 1nji s GLN 2 CO 0.00 0.61 -0.07 0.00 -2.54 0.00 0.00 175.29 173.29 1nji s ALA 3 N -1.45 1.81 -0.53 2.60 0.00 0.26 -4.69 121.76 119.75 1nji s ALA 3 Ca 0.33 -1.11 -0.28 0.00 0.00 0.00 0.00 51.96 50.90 1nji s ALA 3 Cb -0.13 -1.26 0.01 0.00 0.00 0.00 0.00 23.12 21.74 1nji s ALA 3 CO 0.24 -0.90 1.41 0.99 0.00 0.00 0.00 175.76 177.50 1nji s THR 4 N 1.48 3.82 0.28 0.00 2.01 -1.26 -0.91 115.64 121.06 1nji s THR 4 Ca -0.02 0.73 -0.29 0.00 0.31 0.00 0.00 61.69 62.43 1nji s THR 4 Cb -0.16 -4.40 -0.10 0.00 0.01 0.00 0.00 72.50 67.85 1nji s THR 4 CO -0.08 -1.09 1.10 -0.63 -0.69 0.00 0.00 174.62 173.24 1nji s ILE 5 N 5.90 3.46 0.06 1.82 1.01 -1.13 -4.30 121.20 128.02 1nji s ILE 5 Ca 0.54 1.47 0.09 0.00 0.00 0.00 0.00 60.65 62.75 1nji s ILE 5 Cb -0.11 -3.93 -0.03 0.00 0.01 0.00 0.00 42.46 38.40 1nji s ILE 5 CO 0.27 0.35 -0.25 -0.31 0.00 0.00 0.00 174.94 174.99 1nji s TYR 6 N -1.17 2.36 0.64 3.97 1.51 -1.02 -0.94 117.35 122.69 1nji s TYR 6 Ca 0.45 -0.38 -0.01 0.00 -1.01 0.00 0.00 57.07 56.12 1nji s TYR 6 Cb -0.32 -1.37 0.07 0.00 -0.11 0.00 0.00 41.96 40.23 1nji s TYR 6 CO 0.41 0.19 0.90 0.16 -1.11 0.00 0.00 175.55 176.10 1nji s ASP 7 N -1.46 4.84 0.00 2.29 -4.77 -1.00 -0.88 116.67 115.70 1nji s ASP 7 Ca 0.13 -0.07 0.02 0.00 -3.30 0.00 0.00 52.55 49.32 1nji s ASP 7 Cb -0.10 -0.58 0.10 0.00 -1.09 0.00 0.00 42.92 41.25 1nji s ASP 7 CO 0.03 -1.49 0.43 0.18 0.70 0.00 0.00 175.17 175.03 1nji n LEU 8 N -2.62 0.00 -0.00 2.11 4.77 -1.26 -0.84 117.00 119.16 1nji n LEU 8 Ca 0.11 0.00 0.06 0.00 -0.03 0.00 0.00 56.01 56.14 1nji n LEU 8 Cb 0.60 0.00 -0.08 0.00 -2.33 0.00 0.00 43.42 41.62 1nji n LEU 8 CO 0.45 0.00 -0.20 0.47 -1.33 0.00 0.00 177.39 176.78 1nji n ASP 9 N -0.59 1.00 0.00 -1.43 8.00 -1.26 -4.77 116.55 117.51 1nji n ASP 9 Ca 0.01 -0.57 0.00 0.00 0.71 0.00 0.00 54.79 54.94 1nji n ASP 9 Cb 0.01 1.15 0.00 0.00 -0.02 0.00 0.00 41.12 42.26 1nji n ASP 9 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1nji n GLY 10 N 1.42 0.86 3.86 0.44 0.00 -0.02 -4.91 105.19 106.85 1nji n GLY 10 Ca 0.01 -0.04 -0.37 0.00 0.00 0.00 0.00 46.02 45.62 1nji n GLY 10 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1nji s ASN 11 N -2.03 6.43 0.49 1.61 0.01 -1.26 -4.85 114.94 115.33 1nji s ASN 11 Ca 0.00 0.51 -0.21 0.00 -0.71 0.00 0.00 52.86 52.45 1nji s ASN 11 Cb 0.00 -2.09 -0.09 0.00 0.41 0.00 0.00 41.25 39.47 1nji s ASN 11 CO 0.00 0.38 0.82 0.35 -1.51 0.00 0.00 177.10 177.14 1nji n THR 12 N 2.08 2.54 -2.93 1.60 -2.24 -1.26 -2.36 114.28 111.71 1nji n THR 12 Ca -0.19 -0.50 -0.13 0.00 -2.27 0.00 0.00 64.05 60.96 1nji n THR 12 Cb 0.54 -0.95 0.03 0.00 -2.10 0.00 0.00 70.33 67.86 1nji n THR 12 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 1nji n ASP 13 N 0.38 -1.23 0.00 3.42 -0.08 -0.12 -4.79 116.55 114.13 1nji n ASP 13 Ca 0.11 -3.29 0.00 0.00 -1.51 0.00 0.00 54.79 50.10 1nji n ASP 13 Cb 0.43 0.85 0.00 0.00 2.34 0.00 0.00 41.12 44.74 1nji n ASP 13 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1nji n GLY 14 N 0.74 -1.69 3.63 0.27 0.00 -1.26 -4.68 105.19 102.20 1nji n GLY 14 Ca 0.14 -1.62 -0.05 0.00 0.00 0.00 0.00 46.02 44.48 1nji n GLY 14 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1nji s GLU 15 N 0.00 0.25 0.35 1.61 -1.05 -1.26 -2.86 118.70 115.75 1nji s GLU 15 Ca 0.00 0.15 0.09 0.00 -0.15 0.00 0.00 54.97 55.06 1nji s GLU 15 Cb 0.00 0.12 -0.06 0.00 -0.44 0.00 0.00 34.13 33.75 1nji s GLU 15 CO 0.00 -0.06 -0.01 0.08 0.95 0.00 0.00 175.26 176.22 1nji s VAL 16 N -0.55 2.42 -0.01 1.83 1.01 -0.09 -4.87 120.40 120.13 1nji s VAL 16 Ca 0.05 -2.02 -0.30 0.00 0.00 0.00 0.00 61.98 59.71 1nji s VAL 16 Cb -0.03 -2.79 -0.03 0.00 0.00 0.00 0.00 36.38 33.53 1nji s VAL 16 CO -0.08 -0.16 1.08 -1.81 0.00 0.00 0.00 175.10 174.13 1nji s ASP 17 N -3.70 7.22 -0.27 3.32 1.01 -1.26 0.90 116.67 123.89 1nji s ASP 17 Ca 0.35 1.75 -0.29 0.00 0.71 0.00 0.00 52.55 55.07 1nji s ASP 17 Cb 0.02 -2.57 -0.01 0.00 1.01 0.00 0.00 42.92 41.37 1nji s ASP 17 CO 0.19 -0.40 1.50 -0.22 0.21 0.00 0.00 175.17 176.44 1nji s LEU 18 N 1.42 3.85 0.76 1.23 2.96 0.50 -4.85 118.68 124.55 1nji s LEU 18 Ca 0.54 1.41 -0.16 0.00 -0.22 0.00 0.00 54.13 55.69 1nji s LEU 18 Cb -0.23 -3.53 -0.06 0.00 0.50 0.00 0.00 46.19 42.86 1nji s LEU 18 CO 0.25 -1.23 0.24 -0.81 -1.32 0.00 0.00 176.35 173.48 1nji n PRO 19 N 7.61 0.15 -0.23 0.98 -0.04 -1.26 -4.00 135.00 138.20 1nji n PRO 19 Ca 0.17 0.08 0.03 0.00 -0.04 0.00 0.00 63.50 63.74 1nji n PRO 19 Cb 0.46 -1.61 0.15 0.00 -0.04 0.00 0.00 33.50 32.46 1nji n PRO 19 CO 0.00 0.00 0.00 -0.44 -0.04 0.00 0.00 175.50 175.02 1nji h ASP 20 N -0.55 0.24 -1.22 3.54 3.32 -1.92 -2.58 116.42 117.24 1nji h ASP 20 Ca -0.44 0.10 0.35 0.00 0.02 0.00 0.00 57.03 57.05 1nji h ASP 20 Cb 1.35 0.08 -0.08 0.00 0.22 0.00 0.00 39.33 40.90 1nji h ASP 20 CO 0.39 0.12 0.84 -0.37 -1.72 0.00 0.00 179.24 178.49 1nji h VAL 21 N 0.42 0.36 0.00 -1.35 -1.51 -1.90 0.82 116.25 113.10 1nji h VAL 21 Ca 0.36 -0.05 0.00 0.00 -1.23 0.00 0.00 66.70 65.78 1nji h VAL 21 Cb 0.51 0.20 0.00 0.00 -2.13 0.00 0.00 31.29 29.87 1nji h VAL 21 CO -0.36 0.03 0.00 0.49 -1.23 0.00 0.00 177.57 176.49 1nji n PHE 22 N -4.40 0.00 0.44 5.19 3.01 -0.97 -0.10 117.46 120.63 1nji n PHE 22 Ca 0.29 0.00 0.05 0.00 1.01 0.00 0.00 57.45 58.80 1nji n PHE 22 Cb 1.22 0.00 -0.01 0.00 -0.01 0.00 0.00 39.48 40.68 1nji n PHE 22 CO 0.00 0.00 0.00 0.39 1.01 0.00 0.00 176.76 178.16 1nji n GLU 23 N -0.74 2.28 -1.67 -1.08 1.02 0.29 -4.65 120.64 116.08 1nji n GLU 23 Ca 0.05 -0.54 -0.48 0.00 -0.02 0.00 0.00 57.16 56.18 1nji n GLU 23 Cb 0.02 -1.06 -0.05 0.00 -0.02 0.00 0.00 31.44 30.33 1nji n GLU 23 CO 0.00 0.00 0.00 2.41 1.18 0.00 0.00 177.13 180.72 1nji n THR 24 N -0.36 0.31 -1.66 2.62 -1.04 0.86 -4.83 114.28 110.18 1nji n THR 24 Ca 0.04 -0.06 -0.48 0.00 -2.04 0.00 0.00 64.05 61.51 1nji n THR 24 Cb 0.20 -1.69 -0.05 0.00 -1.82 0.00 0.00 70.33 66.97 1nji n THR 24 CO 0.00 0.00 0.00 -0.81 -0.64 0.00 0.00 175.07 173.62 1nji n PRO 25 N 5.10 1.94 -1.84 -2.82 -0.04 -1.26 -4.71 135.00 131.36 1nji n PRO 25 Ca 0.20 0.70 -0.42 0.00 -0.04 0.00 0.00 63.50 63.94 1nji n PRO 25 Cb 0.29 -2.47 -0.03 0.00 -0.04 0.00 0.00 33.50 31.25 1nji n PRO 25 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 1nji s VAL 26 N 1.85 3.31 -0.73 0.52 1.01 -1.26 -4.79 120.40 120.31 1nji s VAL 26 Ca 0.85 0.36 0.04 0.00 0.00 0.00 0.00 61.98 63.22 1nji s VAL 26 Cb -0.75 -3.27 0.18 0.00 0.00 0.00 0.00 36.38 32.54 1nji s VAL 26 CO 0.45 -0.07 0.53 -0.60 0.00 0.00 0.00 175.10 175.41 1nji s ARG 27 N 4.62 2.58 0.64 2.72 6.06 -1.26 -4.95 118.95 129.36 1nji s ARG 27 Ca 0.82 -3.28 0.38 0.00 -2.50 0.00 0.00 55.73 51.15 1nji s ARG 27 Cb -0.35 -3.52 2.12 0.00 0.06 0.00 0.00 34.95 33.26 1nji s ARG 27 CO 0.35 -1.27 2.26 0.66 -2.50 0.00 0.00 175.30 174.80 1nji h SER 28 N 5.60 0.00 -0.10 -2.12 4.64 -1.94 -1.50 113.55 118.13 1nji h SER 28 Ca 0.13 0.00 -0.21 0.00 -0.47 0.00 0.00 61.79 61.24 1nji h SER 28 Cb 0.78 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 62.88 1nji h SER 28 CO 0.74 0.00 -0.74 -2.24 -0.87 0.00 0.00 176.83 173.72 1nji h ASP 29 N 0.00 0.82 -0.08 4.97 2.03 -1.94 -1.69 116.42 120.53 1nji h ASP 29 Ca 0.01 -0.67 -0.15 0.00 -0.73 0.00 0.00 57.03 55.50 1nji h ASP 29 Cb 0.15 -0.24 -0.01 0.00 -0.83 0.00 0.00 39.33 38.40 1nji h ASP 29 CO -0.00 1.36 -0.46 -0.07 -1.03 0.00 0.00 179.24 179.04 1nji h LEU 30 N 0.34 0.68 -0.30 0.15 3.38 -1.76 -2.04 115.31 115.76 1nji h LEU 30 Ca -0.07 -0.33 -0.01 0.00 0.09 0.00 0.00 57.88 57.56 1nji h LEU 30 Cb 1.39 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 41.93 1nji h LEU 30 CO 0.15 1.04 0.13 0.40 0.09 0.00 0.00 178.44 180.25 1nji h ILE 31 N 0.50 1.17 -0.63 1.22 2.04 -1.32 -1.83 117.51 118.66 1nji h ILE 31 Ca 0.03 -0.50 0.01 0.00 1.00 0.00 0.00 64.86 65.41 1nji h ILE 31 Cb 0.99 0.94 -0.03 0.00 -0.74 0.00 0.00 36.82 37.98 1nji h ILE 31 CO 0.09 0.17 0.42 1.23 0.00 0.00 0.00 178.15 180.07 1nji h GLY 32 N 0.34 0.88 1.14 5.37 0.00 -1.10 -1.64 103.07 108.07 1nji h GLY 32 Ca 0.10 -0.33 -0.13 0.00 0.00 0.00 0.00 47.33 46.98 1nji h GLY 32 CO -0.01 0.31 -0.18 1.70 0.00 0.00 0.00 176.54 178.36 1nji h LYS 33 N 0.84 0.98 -0.21 4.80 3.64 -1.03 -0.83 116.57 124.76 1nji h LYS 33 Ca 0.24 -0.40 -0.11 0.00 -1.27 0.00 0.00 60.65 59.11 1nji h LYS 33 Cb -0.07 -0.04 -0.01 0.00 -0.41 0.00 0.00 32.23 31.70 1nji h LYS 33 CO -0.05 1.07 -0.34 0.00 -2.27 0.00 0.00 179.45 177.86 1nji h ALA 34 N 0.92 1.03 -0.03 5.00 0.00 -0.49 -1.59 119.26 124.10 1nji h ALA 34 Ca 0.12 -0.39 -0.04 0.00 0.00 0.00 0.00 54.91 54.60 1nji h ALA 34 Cb 0.75 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.44 1nji h ALA 34 CO 0.06 0.59 -0.12 0.28 0.00 0.00 0.00 179.25 180.06 1nji h VAL 35 N 0.37 1.48 -0.72 0.00 2.07 -1.24 -2.57 116.25 115.65 1nji h VAL 35 Ca 0.04 -1.61 0.16 0.00 0.82 0.00 0.00 66.70 66.11 1nji h VAL 35 Cb 0.78 2.47 -0.11 0.00 -1.52 0.00 0.00 31.29 32.91 1nji h VAL 35 CO 0.06 0.44 0.12 -0.09 0.02 0.00 0.00 177.57 178.11 1nji h ARG 36 N -0.46 0.20 -0.42 1.57 2.43 -1.02 -0.71 114.38 115.98 1nji h ARG 36 Ca -0.01 -0.01 -0.07 0.00 -0.81 0.00 0.00 59.98 59.08 1nji h ARG 36 Cb 0.77 -0.05 -0.01 0.00 -0.42 0.00 0.00 29.97 30.26 1nji h ARG 36 CO 0.03 0.13 -0.03 0.00 -1.51 0.00 0.00 179.97 178.59 1nji h ALA 37 N 1.62 0.57 -0.62 2.80 0.00 -1.29 -1.25 119.26 121.08 1nji h ALA 37 Ca 0.40 -0.28 -0.02 0.00 0.00 0.00 0.00 54.91 55.00 1nji h ALA 37 Cb 0.68 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 18.29 1nji h ALA 37 CO -0.54 0.38 0.30 0.00 0.00 0.00 0.00 179.25 179.39 1nji h ALA 38 N 0.88 1.35 -0.08 0.00 0.00 -0.86 0.57 119.26 121.12 1nji h ALA 38 Ca 0.12 -0.13 -0.20 0.00 0.00 0.00 0.00 54.91 54.70 1nji h ALA 38 Cb 0.53 -0.25 -0.00 0.00 0.00 0.00 0.00 17.79 18.06 1nji h ALA 38 CO 0.03 0.51 -0.78 1.96 0.00 0.00 0.00 179.25 180.96 1nji h GLN 39 N 0.88 0.49 -0.13 0.00 4.20 -1.06 -3.23 115.11 116.26 1nji h GLN 39 Ca 0.22 -0.42 -0.07 0.00 0.06 0.00 0.00 58.65 58.44 1nji h GLN 39 Cb 0.09 0.09 -0.00 0.00 0.30 0.00 0.00 27.48 27.97 1nji h GLN 39 CO -0.03 1.06 -0.20 0.00 -0.67 0.00 0.00 178.83 178.99 1nji h ALA 40 N 0.82 0.20 0.00 3.87 0.00 -0.70 -3.19 119.26 120.25 1nji h ALA 40 Ca -0.05 -0.36 0.00 0.00 0.00 0.00 0.00 54.91 54.50 1nji h ALA 40 Cb 1.38 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.14 1nji h ALA 40 CO 0.14 0.13 0.09 0.09 0.00 0.00 0.00 179.25 179.70 1nji n ASN 41 N -4.51 0.31 -0.89 0.00 3.02 0.14 -0.95 115.26 112.37 1nji n ASN 41 Ca -0.07 0.60 0.10 0.00 -0.03 0.00 0.00 54.58 55.18 1nji n ASN 41 Cb 0.41 -0.61 0.14 0.00 -0.61 0.00 0.00 39.78 39.10 1nji n ASN 41 CO 0.00 0.00 0.00 -2.11 -2.62 0.00 0.00 177.26 172.53 1nji n ARG 42 N -1.91 2.05 -2.43 3.52 1.85 -1.20 -4.95 116.66 113.58 1nji n ARG 42 Ca -0.01 -1.91 -0.41 0.00 -1.00 0.00 0.00 57.85 54.52 1nji n ARG 42 Cb 0.11 -1.41 -0.04 0.00 -1.05 0.00 0.00 32.46 30.07 1nji n ARG 42 CO 0.00 0.00 0.00 0.15 -0.01 0.00 0.00 177.63 177.77 1nji s LYS 43 N -1.47 4.58 0.22 2.89 3.01 -0.13 -5.03 119.74 123.81 1nji s LYS 43 Ca 0.28 1.83 -0.13 0.00 -1.01 0.00 0.00 55.97 56.95 1nji s LYS 43 Cb 0.18 -3.21 -0.07 0.00 -1.01 0.00 0.00 37.83 33.71 1nji s LYS 43 CO 0.26 0.09 0.59 -0.65 0.51 0.00 0.00 175.35 176.14 1nji s GLN 44 N -0.95 3.93 0.35 1.68 -0.21 -1.26 -4.99 119.66 118.20 1nji s GLN 44 Ca 0.48 0.45 -0.27 0.00 0.02 0.00 0.00 55.36 56.04 1nji s GLN 44 Cb -0.32 -2.72 -0.09 0.00 1.00 0.00 0.00 33.01 30.87 1nji s GLN 44 CO 0.39 0.35 1.15 -0.51 -2.12 0.00 0.00 175.29 174.56 1nji s ASP 45 N -2.08 6.85 0.30 5.90 -0.00 -1.26 -5.04 116.67 121.33 1nji s ASP 45 Ca 0.45 2.34 0.01 0.00 -0.00 0.00 0.00 52.55 55.35 1nji s ASP 45 Cb -0.13 -2.62 -0.00 0.00 -0.00 0.00 0.00 42.92 40.17 1nji s ASP 45 CO 0.20 -0.45 0.37 0.00 -0.00 0.00 0.00 175.17 175.29 1nji n TYR 46 N 0.56 -1.12 0.00 4.23 0.18 -1.26 -5.01 117.16 114.74 1nji n TYR 46 Ca 0.02 -2.14 0.00 0.00 1.88 0.00 0.00 57.90 57.66 1nji n TYR 46 Cb 0.45 0.41 0.00 0.00 -0.38 0.00 0.00 39.34 39.82 1nji n TYR 46 CO 0.00 0.00 0.00 0.41 -2.08 0.00 0.00 176.86 175.19 1nji n GLY 47 N -0.51 4.23 3.60 -7.48 0.00 -1.26 -1.60 105.19 102.17 1nji n GLY 47 Ca 0.02 -0.59 -0.29 0.00 0.00 0.00 0.00 46.02 45.16 1nji n GLY 47 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1nji s SER 48 N 0.00 2.08 0.11 1.61 1.04 -1.19 -4.82 113.70 112.52 1nji s SER 48 Ca 0.00 1.59 -0.31 0.00 0.48 0.00 0.00 55.95 57.71 1nji s SER 48 Cb 0.00 -2.26 -0.09 0.00 0.10 0.00 0.00 66.02 63.76 1nji s SER 48 CO 0.00 -3.53 1.70 -0.62 0.98 0.00 0.00 173.24 171.78 1nji s ASP 49 N -2.87 6.53 0.32 7.02 -1.08 -1.26 -4.89 116.67 120.44 1nji s ASP 49 Ca 0.67 2.61 0.10 0.00 -0.52 0.00 0.00 52.55 55.41 1nji s ASP 49 Cb -0.22 -2.57 0.93 0.00 -1.46 0.00 0.00 42.92 39.60 1nji s ASP 49 CO 0.61 -0.92 1.71 -0.33 0.52 0.00 0.00 175.17 176.76 1nji h GLU 50 N 8.14 0.51 -0.46 4.34 4.39 -1.98 -1.48 114.58 128.04 1nji h GLU 50 Ca -0.44 -0.03 0.00 0.00 0.34 0.00 0.00 59.36 59.23 1nji h GLU 50 Cb 1.21 -0.12 0.00 0.00 -0.10 0.00 0.00 28.75 29.74 1nji h GLU 50 CO 0.94 0.34 0.00 0.66 -1.16 0.00 0.00 179.01 179.78 1nji n TYR 51 N -4.92 0.60 -1.64 4.33 4.02 -1.26 -4.93 117.16 113.35 1nji n TYR 51 Ca 0.28 -0.30 -0.45 0.00 -0.01 0.00 0.00 57.90 57.42 1nji n TYR 51 Cb 0.80 0.00 -0.04 0.00 -0.02 0.00 0.00 39.34 40.08 1nji n TYR 51 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 1nji n ALA 52 N 1.30 1.31 -0.09 -0.72 0.00 -0.56 -1.00 120.51 120.74 1nji n ALA 52 Ca 0.20 0.14 0.00 0.00 0.00 0.00 0.00 53.44 53.78 1nji n ALA 52 Cb 0.54 -2.65 0.00 0.00 0.00 0.00 0.00 19.45 17.35 1nji n ALA 52 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1nji n GLY 53 N 4.86 0.86 0.44 0.00 0.00 -1.26 -4.32 105.19 105.77 1nji n GLY 53 Ca 0.24 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.35 1nji n GLY 53 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1nji n LEU 54 N 0.00 1.83 -3.97 0.99 4.77 -0.17 -3.65 117.00 116.80 1nji n LEU 54 Ca 0.00 -0.80 -0.42 0.00 -0.03 0.00 0.00 56.01 54.76 1nji n LEU 54 Cb 0.00 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.09 1nji n LEU 54 CO 0.00 0.34 2.36 0.54 -1.33 0.00 0.00 177.39 179.31 1nji n ARG 55 N 0.05 3.07 -3.61 3.23 1.74 -1.23 -4.81 116.66 115.09 1nji n ARG 55 Ca 0.08 -2.95 -0.08 0.00 -0.77 0.00 0.00 57.85 54.13 1nji n ARG 55 Cb 0.38 -3.27 -0.06 0.00 -1.02 0.00 0.00 32.46 28.50 1nji n ARG 55 CO 0.00 0.00 0.00 -0.08 -1.52 0.00 0.00 177.63 176.03 1nji s THR 56 N 2.92 0.00 -2.34 0.55 -1.32 -1.26 -5.02 115.64 109.18 1nji s THR 56 Ca 0.47 0.00 0.21 0.00 -1.21 0.00 0.00 61.69 61.16 1nji s THR 56 Cb 0.10 -1.00 0.43 0.00 -1.51 0.00 0.00 72.50 70.53 1nji s THR 56 CO -0.03 0.00 1.48 -0.81 -2.21 0.00 0.00 174.62 173.04 1nji n PRO 57 N 1.26 2.02 -0.45 7.08 -0.04 -1.26 -4.99 135.00 138.61 1nji n PRO 57 Ca -0.10 -1.54 -0.15 0.00 -0.04 0.00 0.00 63.50 61.67 1nji n PRO 57 Cb 0.57 -1.43 -0.01 0.00 -0.04 0.00 0.00 33.50 32.59 1nji n PRO 57 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1nji n ALA 58 N 0.76 -1.65 -2.38 0.55 0.00 -1.26 -4.97 120.51 111.56 1nji n ALA 58 Ca 0.17 0.13 -0.09 0.00 0.00 0.00 0.00 53.44 53.65 1nji n ALA 58 Cb 0.43 -0.52 -0.10 0.00 0.00 0.00 0.00 19.45 19.25 1nji n ALA 58 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 1nji s GLU 59 N -0.33 0.59 -0.09 0.00 2.02 -0.74 -4.73 118.70 115.42 1nji s GLU 59 Ca 0.21 -1.07 -0.17 0.00 0.02 0.00 0.00 54.97 53.96 1nji s GLU 59 Cb -0.29 0.04 -0.05 0.00 0.10 0.00 0.00 34.13 33.93 1nji s GLU 59 CO 0.19 -0.06 0.45 0.45 0.02 0.00 0.00 175.26 176.30 1nji s SER 60 N -2.50 6.69 0.34 -0.19 0.15 -1.26 -0.34 113.70 116.60 1nji s SER 60 Ca 0.01 0.83 0.27 0.00 0.70 0.00 0.00 55.95 57.75 1nji s SER 60 Cb 0.02 -2.27 1.07 0.00 -1.71 0.00 0.00 66.02 63.13 1nji s SER 60 CO -0.06 0.08 1.79 -0.26 1.20 0.00 0.00 173.24 175.99 1nji h PHE 61 N 6.26 0.00 0.00 3.44 -1.00 -1.91 -3.49 116.94 120.25 1nji h PHE 61 Ca -0.43 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.35 1nji h PHE 61 Cb 1.19 0.00 0.00 0.00 3.61 0.00 0.00 35.95 40.75 1nji h PHE 61 CO 0.64 0.00 0.00 0.41 -1.61 0.00 0.00 178.31 177.75 1nji n GLY 62 N 0.10 -1.64 3.76 -1.45 0.00 -1.26 -4.87 105.19 99.83 1nji n GLY 62 Ca 0.02 -1.34 -0.30 0.00 0.00 0.00 0.00 46.02 44.40 1nji n GLY 62 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1nji s SER 63 N -4.00 4.04 0.00 1.61 0.01 -1.26 -4.60 113.70 109.50 1nji s SER 63 Ca 0.00 1.44 0.00 0.00 1.31 0.00 0.00 55.95 58.70 1nji s SER 63 Cb 0.00 -2.15 0.00 0.00 0.21 0.00 0.00 66.02 64.08 1nji s SER 63 CO 0.00 -2.27 0.00 0.61 0.41 0.00 0.00 173.24 171.99 1nji n GLY 64 N -1.57 1.47 0.64 3.44 0.00 -1.26 -4.97 105.19 102.94 1nji n GLY 64 Ca 0.07 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.15 1nji n GLY 64 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 1nji n ARG 65 N 0.00 0.93 -3.40 1.61 1.85 -1.26 -4.97 116.66 111.42 1nji n ARG 65 Ca 0.00 -2.50 -0.25 0.00 -1.00 0.00 0.00 57.85 54.10 1nji n ARG 65 Cb 0.00 -1.08 0.04 0.00 -1.05 0.00 0.00 32.46 30.37 1nji n ARG 65 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 1nji n GLY 66 N -0.69 -0.52 3.33 2.89 0.00 -1.26 -4.98 105.19 103.96 1nji n GLY 66 Ca 0.13 0.17 -0.24 0.00 0.00 0.00 0.00 46.02 46.08 1nji n GLY 66 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1nji s GLN 67 N -6.10 1.26 0.51 1.61 0.74 -1.26 -5.11 119.66 111.31 1nji s GLN 67 Ca 0.47 -1.32 -0.20 0.00 0.05 0.00 0.00 55.36 54.35 1nji s GLN 67 Cb -0.22 -1.47 -0.07 0.00 1.10 0.00 0.00 33.01 32.35 1nji s GLN 67 CO 0.58 0.32 1.09 0.00 -0.55 0.00 0.00 175.29 176.73 1nji s ALA 68 N -1.56 2.80 -1.19 1.58 0.00 -1.26 -4.86 121.76 117.26 1nji s ALA 68 Ca 0.13 0.73 -0.20 0.00 0.00 0.00 0.00 51.96 52.61 1nji s ALA 68 Cb -0.08 -3.31 -0.04 0.00 0.00 0.00 0.00 23.12 19.69 1nji s ALA 68 CO 0.06 -0.54 1.89 0.72 0.00 0.00 0.00 175.76 177.89 1nji n HIS 69 N -1.08 3.29 -5.15 0.00 -0.00 -1.26 -4.89 115.22 106.12 1nji n HIS 69 Ca 0.10 -2.05 -0.29 0.00 -0.00 0.00 0.00 57.72 55.48 1nji n HIS 69 Cb 0.51 -2.50 -0.16 0.00 -0.00 0.00 0.00 29.99 27.84 1nji n HIS 69 CO 0.00 0.00 0.00 0.08 -0.00 0.00 0.00 176.34 176.42 1nji s VAL 70 N 7.54 1.85 0.22 1.59 1.01 -1.26 -4.99 120.40 126.36 1nji s VAL 70 Ca 0.61 -0.98 -0.31 0.00 0.00 0.00 0.00 61.98 61.30 1nji s VAL 70 Cb 0.04 -1.55 -0.11 0.00 0.00 0.00 0.00 36.38 34.77 1nji s VAL 70 CO 0.10 0.52 1.58 -2.84 0.00 0.00 0.00 175.10 174.46 1nji s PRO 71 N -0.40 4.19 0.13 2.72 0.02 -1.26 -4.29 135.00 136.11 1nji s PRO 71 Ca 0.05 2.45 0.02 0.00 0.02 0.00 0.00 61.00 63.54 1nji s PRO 71 Cb -0.10 -3.10 -0.04 0.00 0.02 0.00 0.00 34.50 31.27 1nji s PRO 71 CO 0.00 -0.60 -0.05 0.15 -0.33 0.00 0.00 177.00 176.17 1nji s LYS 72 N 0.44 0.96 -0.14 5.54 1.02 0.54 -0.99 119.74 127.11 1nji s LYS 72 Ca 0.67 -1.42 -0.06 0.00 0.02 0.00 0.00 55.97 55.18 1nji s LYS 72 Cb -0.45 -0.31 0.06 0.00 -0.52 0.00 0.00 37.83 36.61 1nji s LYS 72 CO 0.38 -0.03 0.32 -1.17 -0.92 0.00 0.00 175.35 173.92 1nji s LEU 73 N -3.11 -0.06 -1.43 3.17 2.96 0.34 -1.78 118.68 118.77 1nji s LEU 73 Ca 0.16 0.71 -0.08 0.00 -0.22 0.00 0.00 54.13 54.69 1nji s LEU 73 Cb 0.05 0.97 0.02 0.00 0.50 0.00 0.00 46.19 47.73 1nji s LEU 73 CO -0.01 -0.20 1.00 0.47 -1.32 0.00 0.00 176.35 176.29 1nji n ASP 74 N 4.70 -6.09 -0.91 3.68 8.00 -1.26 -1.55 116.55 123.12 1nji n ASP 74 Ca -0.17 -0.50 -0.12 0.00 0.71 0.00 0.00 54.79 54.71 1nji n ASP 74 Cb 0.52 -4.83 -0.05 0.00 -0.02 0.00 0.00 41.12 36.74 1nji n ASP 74 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1nji n GLY 75 N -1.83 1.23 3.21 0.44 0.00 -1.26 -4.98 105.19 102.01 1nji n GLY 75 Ca -0.02 -0.20 -0.32 0.00 0.00 0.00 0.00 46.02 45.48 1nji n GLY 75 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1nji s ARG 76 N -2.88 3.01 0.72 1.61 3.52 -0.59 -5.09 118.95 119.24 1nji s ARG 76 Ca 0.00 -0.87 -0.14 0.00 -0.13 0.00 0.00 55.73 54.60 1nji s ARG 76 Cb 0.00 -2.27 0.03 0.00 -1.56 0.00 0.00 34.95 31.15 1nji s ARG 76 CO 0.00 0.18 1.13 0.00 -0.81 0.00 0.00 175.30 175.80 1nji s ALA 77 N 0.35 2.27 0.24 6.12 0.00 -1.26 0.13 121.76 129.60 1nji s ALA 77 Ca -0.19 0.57 -0.22 0.00 0.00 0.00 0.00 51.96 52.12 1nji s ALA 77 Cb -0.18 -3.35 0.05 0.00 0.00 0.00 0.00 23.12 19.64 1nji s ALA 77 CO 0.09 -1.63 0.88 1.03 0.00 0.00 0.00 175.76 176.13 1nji s ARG 78 N -4.26 1.57 0.00 0.00 0.52 -0.16 -4.77 118.95 111.85 1nji s ARG 78 Ca 0.67 -0.93 0.00 0.00 -0.52 0.00 0.00 55.73 54.96 1nji s ARG 78 Cb -0.22 0.50 0.00 0.00 0.52 0.00 0.00 34.95 35.75 1nji s ARG 78 CO 0.47 -0.73 0.00 -2.13 0.02 0.00 0.00 175.30 172.93 1nji n ARG 79 N -0.52 0.00 -1.48 3.54 0.63 -1.24 -4.55 116.66 113.04 1nji n ARG 79 Ca -0.05 0.00 -0.43 0.00 -0.92 0.00 0.00 57.85 56.45 1nji n ARG 79 Cb 0.60 0.00 0.00 0.00 0.45 0.00 0.00 32.46 33.51 1nji n ARG 79 CO 0.00 0.00 0.00 1.33 -2.51 0.00 0.00 177.63 176.45 1nji n VAL 80 N 0.00 1.87 -0.00 5.15 0.24 -1.26 0.17 118.33 124.49 1nji n VAL 80 Ca 0.00 -0.50 0.21 0.00 -2.04 0.00 0.00 64.34 62.01 1nji n VAL 80 Cb 0.00 -0.60 0.71 0.00 -1.47 0.00 0.00 33.84 32.48 1nji n VAL 80 CO 0.00 0.00 0.00 -0.65 -2.14 0.00 0.00 176.83 174.04 1nji h PRO 81 N 1.06 0.00 -0.12 7.34 0.11 -1.91 -0.69 132.00 137.79 1nji h PRO 81 Ca -0.39 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.72 1nji h PRO 81 Cb 1.39 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.50 1nji h PRO 81 CO 0.54 0.00 0.00 0.00 -0.21 0.00 0.00 178.00 178.33 1nji n GLN 82 N -4.27 1.61 -4.03 1.05 0.00 -1.26 -4.82 117.38 105.67 1nji n GLN 82 Ca 0.10 -0.91 -0.36 0.00 0.00 0.00 0.00 57.00 55.83 1nji n GLN 82 Cb 0.64 -1.40 -0.08 0.00 0.00 0.00 0.00 30.24 29.40 1nji n GLN 82 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 1nji s ALA 83 N -1.85 3.59 0.17 2.61 0.00 -0.27 -5.03 121.76 120.99 1nji s ALA 83 Ca 0.33 -0.71 -0.32 0.00 0.00 0.00 0.00 51.96 51.26 1nji s ALA 83 Cb 0.17 -1.85 -0.11 0.00 0.00 0.00 0.00 23.12 21.34 1nji s ALA 83 CO 0.27 0.47 1.76 0.08 0.00 0.00 0.00 175.76 178.34 1nji s VAL 84 N -0.54 2.30 0.00 0.00 1.01 -1.26 0.49 120.40 122.40 1nji s VAL 84 Ca 0.11 0.06 0.00 0.00 0.00 0.00 0.00 61.98 62.15 1nji s VAL 84 Cb -0.12 -3.04 0.00 0.00 0.00 0.00 0.00 36.38 33.22 1nji s VAL 84 CO 0.02 0.00 0.00 0.29 0.00 0.00 0.00 175.10 175.41 1nji n LYS 85 N 4.75 0.00 -1.83 2.72 4.76 -1.26 -4.77 118.16 122.53 1nji n LYS 85 Ca 0.17 0.00 -0.30 0.00 -2.87 0.00 0.00 58.31 55.31 1nji n LYS 85 Cb 0.37 -1.75 0.16 0.00 -1.84 0.00 0.00 35.03 31.96 1nji n LYS 85 CO 0.00 0.00 0.00 0.20 -1.37 0.00 0.00 177.40 176.23 1nji s GLY 86 N -1.80 1.70 0.71 0.72 0.00 0.18 -4.44 107.32 104.38 1nji s GLY 86 Ca 0.00 -0.98 -0.12 0.00 0.00 0.00 0.00 44.72 43.62 1nji s GLY 86 CO 0.00 -0.29 1.08 1.09 0.00 0.00 0.00 173.10 174.98 1nji s ARG 87 N -5.72 2.70 -0.39 2.90 1.70 0.45 -4.69 118.95 115.90 1nji s ARG 87 Ca 0.70 1.14 -0.23 0.00 -0.47 0.00 0.00 55.73 56.87 1nji s ARG 87 Cb -0.07 -1.95 0.01 0.00 -0.57 0.00 0.00 34.95 32.37 1nji s ARG 87 CO 0.52 -1.30 0.75 0.45 -1.08 0.00 0.00 175.30 174.65 1nji s SER 88 N -3.32 6.49 0.21 -2.89 0.15 -1.26 -3.91 113.70 109.17 1nji s SER 88 Ca 0.61 0.18 -0.14 0.00 0.70 0.00 0.00 55.95 57.30 1nji s SER 88 Cb -0.16 -2.38 0.24 0.00 -1.71 0.00 0.00 66.02 62.01 1nji s SER 88 CO 0.51 -0.76 1.61 0.00 1.20 0.00 0.00 173.24 175.80 1nji h ALA 89 N 8.62 0.35 -2.24 5.45 0.00 -1.94 -3.30 119.26 126.20 1nji h ALA 89 Ca -0.25 0.25 -0.56 0.00 0.00 0.00 0.00 54.91 54.35 1nji h ALA 89 Cb 1.09 0.58 -0.36 0.00 0.00 0.00 0.00 17.79 19.10 1nji h ALA 89 CO 0.91 -0.47 -0.95 0.72 0.00 0.00 0.00 179.25 179.46 1nji n HIS 90 N -5.46 -1.13 -2.31 0.00 8.25 -1.26 -5.13 115.22 108.17 1nji n HIS 90 Ca 0.08 -3.17 -0.26 0.00 -0.26 0.00 0.00 57.72 54.11 1nji n HIS 90 Cb 0.36 0.33 0.12 0.00 1.12 0.00 0.00 29.99 31.92 1nji n HIS 90 CO 0.00 0.00 0.00 -1.25 0.64 0.00 0.00 176.34 175.73 1nji s PRO 91 N 0.06 1.55 0.47 -0.41 0.04 -1.25 -5.04 135.00 130.42 1nji s PRO 91 Ca 0.33 -0.69 -0.24 0.00 0.04 0.00 0.00 61.00 60.44 1nji s PRO 91 Cb 0.04 -2.16 -0.07 0.00 0.04 0.00 0.00 34.50 32.35 1nji s PRO 91 CO -0.19 -1.64 1.31 -2.14 0.04 0.00 0.00 177.00 174.38 1nji s PRO 92 N -5.36 3.62 -0.04 0.56 0.02 -1.26 -4.96 135.00 127.58 1nji s PRO 92 Ca 0.67 2.13 0.03 0.00 0.02 0.00 0.00 61.00 63.84 1nji s PRO 92 Cb -0.06 -2.51 0.01 0.00 0.02 0.00 0.00 34.50 31.96 1nji s PRO 92 CO 0.47 -0.77 -0.11 0.15 -0.33 0.00 0.00 177.00 176.41 1nji s LYS 93 N -2.58 1.35 0.30 5.54 1.02 -1.25 -3.15 119.74 120.97 1nji s LYS 93 Ca 0.64 -0.37 0.05 0.00 0.02 0.00 0.00 55.97 56.30 1nji s LYS 93 Cb -0.37 -1.19 0.70 0.00 -0.52 0.00 0.00 37.83 36.45 1nji s LYS 93 CO 0.46 0.08 1.78 1.15 -0.92 0.00 0.00 175.35 177.91 1nji h THR 94 N 5.66 0.72 0.00 2.17 2.02 -1.62 -2.37 112.91 119.50 1nji h THR 94 Ca -0.33 -0.26 -0.00 0.00 0.77 0.00 0.00 66.41 66.58 1nji h THR 94 Cb 1.18 -0.12 -0.00 0.00 -1.74 0.00 0.00 68.15 67.47 1nji h THR 94 CO 0.48 0.14 -0.01 -0.33 0.37 0.00 0.00 175.52 176.17 1nji h GLU 95 N 0.77 0.00 -6.84 6.66 3.07 -1.95 -3.44 114.58 112.85 1nji h GLU 95 Ca 0.56 0.00 -0.53 0.00 -0.50 0.00 0.00 59.36 58.89 1nji h GLU 95 Cb 0.84 0.00 0.08 0.00 -0.84 0.00 0.00 28.75 28.84 1nji h GLU 95 CO -0.37 0.01 0.80 0.21 -1.40 0.00 0.00 179.01 178.26 1nji s LYS 96 N -4.08 4.18 -0.43 2.33 2.20 -0.89 -4.94 119.74 118.11 1nji s LYS 96 Ca -0.03 2.47 -0.24 0.00 -0.36 0.00 0.00 55.97 57.81 1nji s LYS 96 Cb 0.12 -3.03 0.02 0.00 -1.51 0.00 0.00 37.83 33.43 1nji s LYS 96 CO 0.47 -0.51 0.84 0.34 -0.36 0.00 0.00 175.35 176.13 1nji s ASP 97 N 0.17 6.48 -0.21 1.43 3.68 -1.26 -4.91 116.67 122.05 1nji s ASP 97 Ca 0.58 0.10 0.15 0.00 2.13 0.00 0.00 52.55 55.51 1nji s ASP 97 Cb -0.45 -2.41 0.72 0.00 -1.45 0.00 0.00 42.92 39.33 1nji s ASP 97 CO 0.52 -0.92 1.64 0.54 0.13 0.00 0.00 175.17 177.07 1nji n ARG 98 N 6.82 4.21 -3.97 4.34 1.74 -1.26 -4.96 116.66 123.59 1nji n ARG 98 Ca 0.04 -3.05 -0.26 0.00 -0.77 0.00 0.00 57.85 53.81 1nji n ARG 98 Cb 0.48 -2.11 -0.03 0.00 -1.02 0.00 0.00 32.46 29.77 1nji n ARG 98 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 1nji s SER 99 N -1.17 6.19 -0.07 0.55 1.04 -1.26 -4.50 113.70 114.48 1nji s SER 99 Ca 0.50 0.12 0.05 0.00 0.48 0.00 0.00 55.95 57.11 1nji s SER 99 Cb 0.39 -1.83 -0.01 0.00 0.10 0.00 0.00 66.02 64.68 1nji s SER 99 CO 0.14 0.06 -0.24 -0.76 0.98 0.00 0.00 173.24 173.42 1nji s LEU 100 N -3.18 2.05 0.56 2.42 1.43 -1.26 -5.00 118.68 115.69 1nji s LEU 100 Ca 0.34 -0.50 -0.05 0.00 -1.03 0.00 0.00 54.13 52.89 1nji s LEU 100 Cb -0.11 -1.32 0.00 0.00 0.03 0.00 0.00 46.19 44.79 1nji s LEU 100 CO 0.28 0.21 0.85 -1.81 0.23 0.00 0.00 176.35 176.11 1nji s ASP 101 N 0.02 5.69 -0.29 2.29 1.11 -1.26 -4.88 116.67 119.35 1nji s ASP 101 Ca -0.08 0.66 -0.13 0.00 0.18 0.00 0.00 52.55 53.18 1nji s ASP 101 Cb -0.15 -1.72 0.13 0.00 1.07 0.00 0.00 42.92 42.25 1nji s ASP 101 CO 0.05 -0.97 0.79 -0.22 1.18 0.00 0.00 175.17 176.01 1nji s LEU 102 N -4.90 -0.87 0.29 1.23 2.96 -1.26 -5.02 118.68 111.11 1nji s LEU 102 Ca 0.52 1.25 -0.30 0.00 -0.22 0.00 0.00 54.13 55.38 1nji s LEU 102 Cb -0.10 2.07 -0.12 0.00 0.50 0.00 0.00 46.19 48.54 1nji s LEU 102 CO 0.44 -0.18 1.60 0.59 -1.32 0.00 0.00 176.35 177.48 1nji n ASN 103 N 4.86 3.86 -0.27 3.68 3.02 -1.26 -4.81 115.26 124.35 1nji n ASN 103 Ca -0.14 1.14 0.07 0.00 -0.03 0.00 0.00 54.58 55.63 1nji n ASN 103 Cb 0.53 -1.59 0.21 0.00 -0.61 0.00 0.00 39.78 38.32 1nji n ASN 103 CO 0.00 0.00 0.00 0.44 -2.62 0.00 0.00 177.26 175.08 1nji h ASP 104 N 4.84 0.27 -0.36 6.41 3.32 -2.00 0.13 116.42 129.02 1nji h ASP 104 Ca -0.47 0.12 0.00 0.00 0.02 0.00 0.00 57.03 56.71 1nji h ASP 104 Cb 1.22 0.11 -0.02 0.00 0.22 0.00 0.00 39.33 40.86 1nji h ASP 104 CO 0.80 0.07 0.24 0.11 -1.72 0.00 0.00 179.24 178.74 1nji h LYS 105 N 0.42 0.47 -0.36 3.56 1.57 -1.99 0.40 116.57 120.65 1nji h LYS 105 Ca 0.45 -0.03 -0.07 0.00 -1.87 0.00 0.00 60.65 59.12 1nji h LYS 105 Cb 0.72 -0.11 -0.02 0.00 0.08 0.00 0.00 32.23 32.91 1nji h LYS 105 CO -0.44 0.31 -0.08 1.49 -0.57 0.00 0.00 179.45 180.16 1nji h GLU 106 N 0.49 0.60 -0.06 3.15 4.81 -1.64 -0.64 114.58 121.29 1nji h GLU 106 Ca 0.13 -0.17 -0.17 0.00 -0.13 0.00 0.00 59.36 59.03 1nji h GLU 106 Cb -0.05 -0.07 0.01 0.00 0.63 0.00 0.00 28.75 29.27 1nji h GLU 106 CO -0.03 0.68 -0.62 -0.09 -0.73 0.00 0.00 179.01 178.22 1nji h ARG 107 N 0.56 0.53 -0.72 1.92 2.43 -0.07 -2.59 114.38 116.44 1nji h ARG 107 Ca 0.11 -0.49 -0.03 0.00 -0.81 0.00 0.00 59.98 58.76 1nji h ARG 107 Cb 0.48 0.12 -0.03 0.00 -0.42 0.00 0.00 29.97 30.11 1nji h ARG 107 CO 0.03 1.12 0.32 1.96 -1.51 0.00 0.00 179.97 181.88 1nji h GLN 108 N 0.11 1.03 -0.60 0.20 4.20 -0.12 -1.08 115.11 118.85 1nji h GLN 108 Ca -0.06 -0.15 -0.00 0.00 0.06 0.00 0.00 58.65 58.49 1nji h GLN 108 Cb 1.29 -0.19 -0.03 0.00 0.30 0.00 0.00 27.48 28.85 1nji h GLN 108 CO 0.13 0.81 0.35 1.25 -0.67 0.00 0.00 178.83 180.70 1nji h LEU 109 N 1.02 0.72 -1.30 1.46 5.85 -1.11 -0.38 115.31 121.57 1nji h LEU 109 Ca 0.25 -0.07 -0.05 0.00 0.84 0.00 0.00 57.88 58.85 1nji h LEU 109 Cb 0.14 -0.18 -0.02 0.00 0.37 0.00 0.00 40.66 40.97 1nji h LEU 109 CO -0.03 0.58 -0.02 0.00 -0.34 0.00 0.00 178.44 178.63 1nji h ALA 110 N 1.18 1.43 -0.25 1.25 0.00 -0.97 0.91 119.26 122.81 1nji h ALA 110 Ca 0.21 -0.19 -0.03 0.00 0.00 0.00 0.00 54.91 54.90 1nji h ALA 110 Cb -0.01 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.64 1nji h ALA 110 CO -0.04 0.40 0.03 0.28 0.00 0.00 0.00 179.25 179.92 1nji h VAL 111 N 0.43 1.23 -0.69 0.00 2.07 -0.17 0.48 116.25 119.59 1nji h VAL 111 Ca 0.09 -0.80 -0.03 0.00 0.82 0.00 0.00 66.70 66.78 1nji h VAL 111 Cb 0.31 1.27 -0.03 0.00 -1.52 0.00 0.00 31.29 31.32 1nji h VAL 111 CO 0.01 0.25 0.30 0.03 0.02 0.00 0.00 177.57 178.18 1nji h ARG 112 N 0.23 1.02 -0.48 1.57 3.08 -0.66 -0.71 114.38 118.44 1nji h ARG 112 Ca 0.08 -0.17 -0.10 0.00 0.07 0.00 0.00 59.98 59.86 1nji h ARG 112 Cb 0.35 -0.17 -0.02 0.00 0.08 0.00 0.00 29.97 30.20 1nji h ARG 112 CO 0.01 0.83 -0.09 1.03 -1.07 0.00 0.00 179.97 180.68 1nji h SER 113 N 0.98 0.85 0.38 7.04 0.87 -0.60 -1.52 113.55 121.55 1nji h SER 113 Ca 0.23 -0.25 -0.12 0.00 -1.23 0.00 0.00 61.79 60.42 1nji h SER 113 Cb 0.18 -0.23 -0.01 0.00 -0.44 0.00 0.00 62.40 61.89 1nji h SER 113 CO -0.02 0.96 -0.50 0.00 -0.53 0.00 0.00 176.83 176.74 1nji h ALA 114 N 1.12 1.07 0.14 6.23 0.00 -0.61 -1.49 119.26 125.72 1nji h ALA 114 Ca 0.13 -0.46 -0.01 0.00 0.00 0.00 0.00 54.91 54.57 1nji h ALA 114 Cb 0.59 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.30 1nji h ALA 114 CO 0.04 0.64 -0.07 1.25 0.00 0.00 0.00 179.25 181.11 1nji h LEU 115 N 0.11 -0.16 -0.75 0.00 5.85 -0.60 -3.04 115.31 116.73 1nji h LEU 115 Ca 0.00 -0.04 0.05 0.00 0.84 0.00 0.00 57.88 58.74 1nji h LEU 115 Cb 0.92 0.04 -0.05 0.00 0.37 0.00 0.00 40.66 41.93 1nji h LEU 115 CO 0.07 -0.07 0.45 0.00 -0.34 0.00 0.00 178.44 178.55 1nji h ALA 116 N 0.61 1.01 -0.00 1.25 0.00 -0.95 -0.11 119.26 121.06 1nji h ALA 116 Ca -0.02 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.89 1nji h ALA 116 Cb 0.19 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 17.79 1nji h ALA 116 CO 0.03 0.17 0.02 0.00 0.00 0.00 0.00 179.25 179.48 1nji h ALA 117 N 1.36 1.05 0.00 0.00 0.00 -1.17 -0.81 119.26 119.69 1nji h ALA 117 Ca 0.32 -0.00 -0.06 0.00 0.00 0.00 0.00 54.91 55.17 1nji h ALA 117 Cb 0.14 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.93 1nji h ALA 117 CO -0.16 -0.02 -0.28 1.15 0.00 0.00 0.00 179.25 179.93 1nji h THR 118 N 0.00 0.89 -0.34 0.00 2.02 -0.93 -2.98 112.91 111.58 1nji h THR 118 Ca 0.00 -1.09 0.00 0.00 0.77 0.00 0.00 66.41 66.09 1nji h THR 118 Cb 0.05 1.65 0.00 0.00 -1.74 0.00 0.00 68.15 68.11 1nji h THR 118 CO -0.00 0.28 0.00 0.00 0.37 0.00 0.00 175.52 176.17 1nji n ALA 119 N -2.35 2.88 -3.94 6.16 0.00 -0.31 -3.44 120.51 119.51 1nji n ALA 119 Ca -0.01 -0.85 -0.32 0.00 0.00 0.00 0.00 53.44 52.25 1nji n ALA 119 Cb 0.38 -1.02 -0.14 0.00 0.00 0.00 0.00 19.45 18.67 1nji n ALA 119 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1nji s ASP 120 N -0.66 4.89 0.33 0.00 -1.08 -1.12 -4.66 116.67 114.37 1nji s ASP 120 Ca 0.27 -2.18 0.11 0.00 -0.52 0.00 0.00 52.55 50.24 1nji s ASP 120 Cb 0.18 -1.69 0.92 0.00 -1.46 0.00 0.00 42.92 40.88 1nji s ASP 120 CO 0.12 -0.42 1.74 0.00 0.52 0.00 0.00 175.17 177.13 1nji h ALA 121 N 7.67 1.87 -0.23 3.66 0.00 -1.85 -1.02 119.26 129.36 1nji h ALA 121 Ca -0.07 0.11 -0.04 0.00 0.00 0.00 0.00 54.91 54.92 1nji h ALA 121 Cb 1.02 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.82 1nji h ALA 121 CO 0.58 -0.34 -0.01 -0.44 0.00 0.00 0.00 179.25 179.04 1nji h ASP 122 N 0.55 0.40 0.33 0.00 3.32 -1.94 -1.95 116.42 117.13 1nji h ASP 122 Ca 0.64 -0.32 -0.01 0.00 0.02 0.00 0.00 57.03 57.36 1nji h ASP 122 Cb 1.28 -0.11 -0.01 0.00 0.22 0.00 0.00 39.33 40.71 1nji h ASP 122 CO -0.44 0.63 -0.22 -0.07 -1.72 0.00 0.00 179.24 177.41 1nji h LEU 123 N 0.17 -0.57 -1.49 1.55 3.38 -1.62 -0.65 115.31 116.09 1nji h LEU 123 Ca 0.06 0.04 0.23 0.00 0.09 0.00 0.00 57.88 58.30 1nji h LEU 123 Cb 0.43 0.18 -0.07 0.00 0.09 0.00 0.00 40.66 41.28 1nji h LEU 123 CO 0.01 -0.35 0.63 0.58 0.09 0.00 0.00 178.44 179.41 1nji h VAL 124 N -0.54 0.62 -0.02 1.22 2.07 -1.20 0.24 116.25 118.65 1nji h VAL 124 Ca -0.03 -0.13 -0.21 0.00 0.82 0.00 0.00 66.70 67.14 1nji h VAL 124 Cb 0.46 0.20 -0.00 0.00 -1.52 0.00 0.00 31.29 30.43 1nji h VAL 124 CO 0.02 0.07 -0.89 0.00 0.02 0.00 0.00 177.57 176.78 1nji h ALA 125 N 1.60 0.42 -0.25 1.67 0.00 -0.74 -3.11 119.26 118.87 1nji h ALA 125 Ca 0.51 -0.69 -0.15 0.00 0.00 0.00 0.00 54.91 54.58 1nji h ALA 125 Cb 1.32 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 19.07 1nji h ALA 125 CO -0.20 0.82 -0.46 -0.44 0.00 0.00 0.00 179.25 178.96 1nji h ASP 126 N 0.23 0.68 -0.11 0.00 3.32 0.89 -2.06 116.42 119.38 1nji h ASP 126 Ca -0.07 -0.33 0.03 0.00 0.02 0.00 0.00 57.03 56.68 1nji h ASP 126 Cb 1.52 -0.19 -0.00 0.00 0.22 0.00 0.00 39.33 40.87 1nji h ASP 126 CO 0.15 1.04 0.15 -0.09 -1.72 0.00 0.00 179.24 178.77 1nji h ARG 127 N 0.51 0.00 0.00 3.56 2.43 -0.89 -3.45 114.38 116.54 1nji h ARG 127 Ca 0.03 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.20 1nji h ARG 127 Cb 0.99 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.54 1nji h ARG 127 CO 0.09 0.00 0.00 0.41 -1.51 0.00 0.00 179.97 178.96 1nji n GLY 128 N -1.33 1.82 3.70 2.80 0.00 -0.77 -5.11 105.19 106.30 1nji n GLY 128 Ca -0.00 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.62 1nji n GLY 128 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1nji n HIS 129 N 0.00 1.96 -3.82 1.61 8.25 -1.18 -4.99 115.22 117.05 1nji n HIS 129 Ca 0.00 0.47 -0.36 0.00 -0.26 0.00 0.00 57.72 57.58 1nji n HIS 129 Cb 0.00 -2.34 -0.10 0.00 1.12 0.00 0.00 29.99 28.67 1nji n HIS 129 CO 0.00 0.00 0.00 -1.21 0.64 0.00 0.00 176.34 175.77 1nji s GLU 130 N -2.46 3.94 -0.13 -0.41 0.41 -1.26 -4.64 118.70 114.15 1nji s GLU 130 Ca 0.66 -0.34 -0.32 0.00 -0.41 0.00 0.00 54.97 54.56 1nji s GLU 130 Cb -0.47 -3.37 0.13 0.00 -1.78 0.00 0.00 34.13 28.64 1nji s GLU 130 CO 0.54 0.09 1.08 -0.59 -0.49 0.00 0.00 175.26 175.89 1nji s PHE 131 N 0.92 -0.23 -0.58 1.61 -0.12 -1.26 -1.54 117.98 116.78 1nji s PHE 131 Ca 0.05 0.22 0.06 0.00 -0.05 0.00 0.00 56.93 57.21 1nji s PHE 131 Cb -0.13 0.51 0.27 0.00 -0.63 0.00 0.00 43.02 43.03 1nji s PHE 131 CO 0.03 -0.33 0.75 -0.25 -0.05 0.00 0.00 175.22 175.37 1nji n ASP 132 N 0.04 3.21 -4.17 1.98 8.00 -0.64 -5.05 116.55 119.92 1nji n ASP 132 Ca -0.04 -3.35 -0.11 0.00 0.71 0.00 0.00 54.79 52.00 1nji n ASP 132 Cb 0.59 -0.65 -0.10 0.00 -0.02 0.00 0.00 41.12 40.95 1nji n ASP 132 CO 0.00 0.00 0.00 -0.60 -0.39 0.00 0.00 177.20 176.21 1nji s ARG 133 N -2.44 0.89 -0.14 -1.24 3.52 -1.26 -4.84 118.95 113.43 1nji s ARG 133 Ca 0.41 -1.38 0.02 0.00 -0.13 0.00 0.00 55.73 54.64 1nji s ARG 133 Cb 0.18 -0.10 -0.09 0.00 -1.56 0.00 0.00 34.95 33.38 1nji s ARG 133 CO -0.05 -0.09 -0.11 -0.25 -0.81 0.00 0.00 175.30 173.98 1nji n ASP 134 N -0.08 2.88 -4.85 -2.12 8.00 -1.26 -4.99 116.55 114.13 1nji n ASP 134 Ca -0.10 -0.07 -0.32 0.00 0.71 0.00 0.00 54.79 55.01 1nji n ASP 134 Cb 0.62 -0.16 -0.05 0.00 -0.02 0.00 0.00 41.12 41.51 1nji n ASP 134 CO 0.00 0.00 0.00 -1.61 -0.39 0.00 0.00 177.20 175.20 1nji s GLU 135 N -2.28 3.98 -0.29 -1.24 2.02 -1.26 -4.71 118.70 114.93 1nji s GLU 135 Ca -0.18 0.79 -0.25 0.00 0.02 0.00 0.00 54.97 55.35 1nji s GLU 135 Cb 0.05 -2.30 0.15 0.00 0.10 0.00 0.00 34.13 32.13 1nji s GLU 135 CO 0.33 -0.03 1.21 0.54 0.02 0.00 0.00 175.26 177.32 1nji s VAL 136 N -2.27 0.00 1.08 2.63 0.11 -1.26 -4.71 120.40 115.98 1nji s VAL 136 Ca 0.56 0.00 -0.13 0.00 -2.93 0.00 0.00 61.98 59.49 1nji s VAL 136 Cb -0.10 -1.00 0.23 0.00 -1.53 0.00 0.00 36.38 33.98 1nji s VAL 136 CO 0.23 0.00 1.07 -2.16 -3.33 0.00 0.00 175.10 170.91 1nji s PRO 137 N 0.17 -0.21 -0.27 1.54 0.04 -1.22 -4.30 135.00 130.75 1nji s PRO 137 Ca 0.05 0.59 -0.20 0.00 0.04 0.00 0.00 61.00 61.48 1nji s PRO 137 Cb -0.05 -1.66 -0.02 0.00 0.04 0.00 0.00 34.50 32.82 1nji s PRO 137 CO -0.10 -3.18 0.62 0.08 0.04 0.00 0.00 177.00 174.46 1nji s VAL 138 N -2.78 4.98 -0.01 -0.36 1.01 -1.03 -4.94 120.40 117.27 1nji s VAL 138 Ca 0.67 1.06 -0.03 0.00 0.00 0.00 0.00 61.98 63.68 1nji s VAL 138 Cb -0.21 -3.94 -0.04 0.00 0.00 0.00 0.00 36.38 32.19 1nji s VAL 138 CO 0.60 -0.01 0.19 -0.69 0.00 0.00 0.00 175.10 175.19 1nji s VAL 139 N 2.52 5.43 0.04 2.92 1.01 -1.26 -0.65 120.40 130.42 1nji s VAL 139 Ca 0.26 -0.17 -0.03 0.00 0.00 0.00 0.00 61.98 62.04 1nji s VAL 139 Cb -0.15 -3.55 -0.02 0.00 0.00 0.00 0.00 36.38 32.66 1nji s VAL 139 CO 0.09 0.32 0.04 -0.69 0.00 0.00 0.00 175.10 174.86 1nji s VAL 140 N -1.33 0.16 0.51 2.92 1.01 -0.96 -2.42 120.40 120.28 1nji s VAL 140 Ca 0.28 -1.29 -0.22 0.00 0.00 0.00 0.00 61.98 60.75 1nji s VAL 140 Cb -0.13 -1.00 -0.06 0.00 0.00 0.00 0.00 36.38 35.19 1nji s VAL 140 CO 0.19 -0.71 1.31 -0.94 0.00 0.00 0.00 175.10 174.95 1nji s SER 141 N -2.30 5.56 0.06 3.32 1.04 -0.05 0.43 113.70 121.76 1nji s SER 141 Ca -0.03 2.65 0.03 0.00 0.48 0.00 0.00 55.95 59.08 1nji s SER 141 Cb 0.00 -2.63 0.18 0.00 0.10 0.00 0.00 66.02 63.68 1nji s SER 141 CO -0.06 -1.36 1.04 0.47 0.98 0.00 0.00 173.24 174.31 1nji n ASP 142 N -0.82 0.09 0.23 7.02 8.00 -1.26 -1.08 116.55 128.73 1nji n ASP 142 Ca 0.09 0.48 0.16 0.00 0.71 0.00 0.00 54.79 56.22 1nji n ASP 142 Cb 0.46 -0.48 0.76 0.00 -0.02 0.00 0.00 41.12 41.84 1nji n ASP 142 CO 0.00 0.00 0.00 0.44 -0.39 0.00 0.00 177.20 177.25 1nji h ASP 143 N 0.00 0.00 -0.37 -2.24 3.32 -1.97 -1.74 116.42 113.42 1nji h ASP 143 Ca 0.00 0.00 0.02 0.00 0.02 0.00 0.00 57.03 57.07 1nji h ASP 143 Cb 0.16 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 39.69 1nji h ASP 143 CO 0.00 0.00 0.25 0.15 -1.72 0.00 0.00 179.24 177.92 1nji h PHE 144 N 0.00 0.39 0.00 4.55 3.57 -1.46 -0.50 116.94 123.49 1nji h PHE 144 Ca 0.00 0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.51 1nji h PHE 144 Cb 0.18 -0.13 0.00 0.00 2.79 0.00 0.00 35.95 38.79 1nji h PHE 144 CO 0.00 0.23 0.00 0.39 -2.23 0.00 0.00 178.31 176.70 1nji n GLU 145 N -4.48 0.06 0.00 1.11 1.02 -0.65 -2.19 120.64 115.50 1nji n GLU 145 Ca 0.03 0.27 0.10 0.00 -0.02 0.00 0.00 57.16 57.55 1nji n GLU 145 Cb 0.14 -1.50 -0.06 0.00 -0.02 0.00 0.00 31.44 30.00 1nji n GLU 145 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 1nji n ASP 146 N -1.41 1.21 -4.72 1.62 8.00 -0.20 -4.95 116.55 116.10 1nji n ASP 146 Ca 0.03 -1.07 -0.36 0.00 0.71 0.00 0.00 54.79 54.10 1nji n ASP 146 Cb 0.10 0.81 0.08 0.00 -0.02 0.00 0.00 41.12 42.09 1nji n ASP 146 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 1nji s LEU 147 N -2.87 3.49 0.00 0.64 1.43 -0.93 -4.94 118.68 115.50 1nji s LEU 147 Ca 0.11 2.58 0.00 0.00 -1.03 0.00 0.00 54.13 55.79 1nji s LEU 147 Cb 0.17 -4.61 0.00 0.00 0.03 0.00 0.00 46.19 41.77 1nji s LEU 147 CO 0.78 -2.15 0.00 0.52 0.23 0.00 0.00 176.35 175.73 1nji n VAL 148 N -2.18 0.00 -3.35 -1.59 0.31 -1.26 -4.53 118.33 105.73 1nji n VAL 148 Ca 0.15 0.00 -0.35 0.00 -0.01 0.00 0.00 64.34 64.13 1nji n VAL 148 Cb 0.49 -0.47 -0.06 0.00 -0.91 0.00 0.00 33.84 32.88 1nji n VAL 148 CO 0.00 0.00 0.00 -0.54 -1.32 0.00 0.00 176.83 174.97 1nji s LYS 149 N -1.65 3.99 0.07 5.55 -0.14 -1.26 -4.38 119.74 121.92 1nji s LYS 149 Ca 0.00 0.50 -0.20 0.00 -1.36 0.00 0.00 55.97 54.91 1nji s LYS 149 Cb 0.00 -2.94 -0.11 0.00 -1.68 0.00 0.00 37.83 33.11 1nji s LYS 149 CO 0.00 0.48 1.49 1.15 -0.76 0.00 0.00 175.35 177.71 1nji h THR 150 N 2.82 1.27 -1.01 2.17 2.02 -1.92 -2.92 112.91 115.33 1nji h THR 150 Ca -0.49 -0.92 0.24 0.00 0.77 0.00 0.00 66.41 66.01 1nji h THR 150 Cb 1.19 1.48 -0.12 0.00 -1.74 0.00 0.00 68.15 68.96 1nji h THR 150 CO 0.66 0.28 0.60 1.56 0.37 0.00 0.00 175.52 178.99 1nji h GLN 151 N 0.10 0.59 -0.17 6.66 1.08 -1.93 0.21 115.11 121.65 1nji h GLN 151 Ca 0.05 -0.04 -0.05 0.00 -1.45 0.00 0.00 58.65 57.17 1nji h GLN 151 Cb 0.42 -0.13 -0.01 0.00 -0.05 0.00 0.00 27.48 27.71 1nji h GLN 151 CO 0.01 0.39 -0.12 0.93 -0.95 0.00 0.00 178.83 179.09 1nji h GLU 152 N 0.61 0.26 0.00 1.46 5.08 -1.90 -0.64 114.58 119.46 1nji h GLU 152 Ca 0.63 -0.06 0.00 0.00 -1.00 0.00 0.00 59.36 58.93 1nji h GLU 152 Cb 1.18 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 30.39 1nji h GLU 152 CO -0.45 0.39 0.00 0.28 -1.00 0.00 0.00 179.01 178.23 1nji h VAL 153 N 0.25 0.00 0.25 3.13 2.07 -0.63 -2.70 116.25 118.62 1nji h VAL 153 Ca 0.05 -0.74 -0.01 0.00 0.82 0.00 0.00 66.70 66.82 1nji h VAL 153 Cb 0.38 1.73 0.00 0.00 -1.52 0.00 0.00 31.29 31.88 1nji h VAL 153 CO 0.02 0.00 -0.12 0.58 0.02 0.00 0.00 177.57 178.07 1nji h VAL 154 N 0.00 0.52 -0.50 2.57 2.07 -0.33 -2.26 116.25 118.33 1nji h VAL 154 Ca 0.00 -0.92 0.10 0.00 0.82 0.00 0.00 66.70 66.70 1nji h VAL 154 Cb 0.75 0.87 -0.10 0.00 -1.52 0.00 0.00 31.29 31.30 1nji h VAL 154 CO 0.00 0.13 -0.19 0.28 0.02 0.00 0.00 177.57 177.81 1nji h SER 155 N -0.96 -0.68 -0.75 0.57 0.02 -1.35 0.19 113.55 110.60 1nji h SER 155 Ca -0.03 0.17 0.11 0.00 -0.84 0.00 0.00 61.79 61.20 1nji h SER 155 Cb 0.47 0.39 -0.08 0.00 0.14 0.00 0.00 62.40 63.32 1nji h SER 155 CO 0.06 -0.23 0.35 0.25 -1.14 0.00 0.00 176.83 176.12 1nji h LEU 156 N -0.08 0.42 -0.75 5.07 5.85 -1.55 0.15 115.31 124.43 1nji h LEU 156 Ca 0.23 0.08 -0.12 0.00 0.84 0.00 0.00 57.88 58.92 1nji h LEU 156 Cb 0.45 0.01 -0.01 0.00 0.37 0.00 0.00 40.66 41.48 1nji h LEU 156 CO -0.55 0.22 -0.31 -0.07 -0.34 0.00 0.00 178.44 177.39 1nji h LEU 157 N 0.56 0.62 -0.92 2.25 3.38 -0.28 -0.40 115.31 120.53 1nji h LEU 157 Ca 0.39 -0.24 -0.11 0.00 0.09 0.00 0.00 57.88 58.00 1nji h LEU 157 Cb 0.48 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 41.05 1nji h LEU 157 CO -0.32 0.90 -0.42 -0.33 0.09 0.00 0.00 178.44 178.36 1nji h GLU 158 N 0.52 0.25 0.00 1.13 5.08 0.32 -1.09 114.58 120.79 1nji h GLU 158 Ca 0.06 -0.12 -0.11 0.00 -1.00 0.00 0.00 59.36 58.19 1nji h GLU 158 Cb 0.79 -0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.02 1nji h GLU 158 CO 0.06 0.63 -0.53 0.00 -1.00 0.00 0.00 179.01 178.17 1nji h ALA 159 N 1.36 0.98 -0.28 3.43 0.00 -0.30 -2.57 119.26 121.87 1nji h ALA 159 Ca 0.02 -0.48 0.00 0.00 0.00 0.00 0.00 54.91 54.44 1nji h ALA 159 Cb 0.83 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.53 1nji h ALA 159 CO 0.07 0.67 0.00 1.28 0.00 0.00 0.00 179.25 181.26 1nji n LEU 160 N -3.71 2.12 -3.73 0.00 4.77 -0.20 -4.89 117.00 111.37 1nji n LEU 160 Ca -0.01 -0.95 -0.27 0.00 -0.03 0.00 0.00 56.01 54.75 1nji n LEU 160 Cb 0.58 -0.19 0.05 0.00 -2.33 0.00 0.00 43.42 41.53 1nji n LEU 160 CO 0.40 0.48 0.16 0.47 -1.33 0.00 0.00 177.39 177.57 1nji n ASP 161 N 0.63 -5.55 0.00 -1.43 8.00 -0.78 -4.84 116.55 112.57 1nji n ASP 161 Ca 0.16 -0.64 0.00 0.00 0.71 0.00 0.00 54.79 55.01 1nji n ASP 161 Cb 0.38 -4.40 0.00 0.00 -0.02 0.00 0.00 41.12 37.07 1nji n ASP 161 CO 0.00 0.00 0.00 0.52 -0.39 0.00 0.00 177.20 177.33 1nji n VAL 162 N -4.81 0.00 0.30 2.53 0.31 -0.48 -1.62 118.33 114.57 1nji n VAL 162 Ca 0.02 -0.34 0.17 0.00 -0.01 0.00 0.00 64.34 64.19 1nji n VAL 162 Cb 0.54 1.08 1.00 0.00 -0.91 0.00 0.00 33.84 35.55 1nji n VAL 162 CO 0.00 0.00 0.00 -0.74 -1.32 0.00 0.00 176.83 174.77 1nji h HIS 163 N 0.00 0.00 -0.60 3.52 6.17 -1.81 -2.58 115.15 119.85 1nji h HIS 163 Ca 0.00 0.00 0.13 0.00 0.71 0.00 0.00 60.37 61.21 1nji h HIS 163 Cb 0.04 0.00 -0.03 0.00 2.52 0.00 0.00 27.41 29.94 1nji h HIS 163 CO 0.00 0.00 0.41 0.00 0.71 0.00 0.00 177.93 179.05 1nji h ALA 164 N 1.97 2.24 -0.49 5.26 0.00 -1.85 -1.07 119.26 125.31 1nji h ALA 164 Ca 0.01 -0.01 -0.07 0.00 0.00 0.00 0.00 54.91 54.84 1nji h ALA 164 Cb 0.05 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 17.79 1nji h ALA 164 CO -0.00 -0.40 0.04 0.22 0.00 0.00 0.00 179.25 179.11 1nji h ASP 165 N 0.23 0.82 0.06 0.00 3.58 -0.85 -1.68 116.42 118.59 1nji h ASP 165 Ca 0.29 -0.29 -0.05 0.00 0.42 0.00 0.00 57.03 57.40 1nji h ASP 165 Cb 0.80 -0.22 -0.01 0.00 1.72 0.00 0.00 39.33 41.62 1nji h ASP 165 CO -0.06 0.90 -0.15 0.40 -2.88 0.00 0.00 179.24 177.46 1nji h ILE 166 N 0.71 1.17 -0.67 2.25 2.04 -1.39 0.66 117.51 122.28 1nji h ILE 166 Ca 0.14 -0.78 -0.03 0.00 1.00 0.00 0.00 64.86 65.20 1nji h ILE 166 Cb 0.46 1.25 -0.03 0.00 -0.74 0.00 0.00 36.82 37.76 1nji h ILE 166 CO 0.02 0.24 0.31 0.44 0.00 0.00 0.00 178.15 179.16 1nji h ASP 167 N 0.18 0.87 0.31 1.72 3.45 -0.92 -1.02 116.42 121.01 1nji h ASP 167 Ca 0.04 -0.10 -0.02 0.00 0.43 0.00 0.00 57.03 57.39 1nji h ASP 167 Cb 0.38 -0.22 0.00 0.00 -0.56 0.00 0.00 39.33 38.93 1nji h ASP 167 CO 0.02 0.74 -0.15 -0.09 -1.57 0.00 0.00 179.24 178.20 1nji h ARG 168 N 0.95 -0.40 0.00 3.56 2.43 -0.03 -2.63 114.38 118.26 1nji h ARG 168 Ca 0.23 0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.43 1nji h ARG 168 Cb 0.11 0.09 0.00 0.00 -0.42 0.00 0.00 29.97 29.75 1nji h ARG 168 CO -0.03 -0.20 0.00 0.00 -1.51 0.00 0.00 179.97 178.23 1nji n ALA 169 N -2.32 1.90 -1.21 2.80 0.00 -0.60 -3.86 120.51 117.22 1nji n ALA 169 Ca -0.10 -0.08 -0.19 0.00 0.00 0.00 0.00 53.44 53.07 1nji n ALA 169 Cb 0.21 -1.25 -0.10 0.00 0.00 0.00 0.00 19.45 18.32 1nji n ALA 169 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 1nji n ASP 170 N -1.22 5.88 -3.37 0.00 4.64 -0.42 -4.35 116.55 117.72 1nji n ASP 170 Ca 0.08 -2.85 -0.05 0.00 -1.38 0.00 0.00 54.79 50.59 1nji n ASP 170 Cb 0.10 -1.30 -0.06 0.00 -1.04 0.00 0.00 41.12 38.82 1nji n ASP 170 CO 0.00 0.00 0.00 -1.61 -0.82 0.00 0.00 177.20 174.77 1nji s GLU 171 N -0.45 0.41 0.35 -0.67 2.02 -1.25 -5.04 118.70 114.07 1nji s GLU 171 Ca 0.59 0.78 -0.13 0.00 0.02 0.00 0.00 54.97 56.24 1nji s GLU 171 Cb 0.33 -0.02 -0.08 0.00 0.10 0.00 0.00 34.13 34.47 1nji s GLU 171 CO -0.11 -0.55 0.73 0.95 0.02 0.00 0.00 175.26 176.31 1nji s THR 172 N 2.65 4.75 -0.12 3.63 -4.23 -1.26 -4.44 115.64 116.61 1nji s THR 172 Ca 0.11 0.77 -0.00 0.00 -1.18 0.00 0.00 61.69 61.39 1nji s THR 172 Cb -0.15 -3.66 -0.02 0.00 1.34 0.00 0.00 72.50 70.01 1nji s THR 172 CO -0.17 -0.32 -0.11 -0.75 -0.54 0.00 0.00 174.62 172.73 1nji s LYS 173 N -3.34 3.31 -0.52 3.99 2.20 0.10 -4.96 119.74 120.52 1nji s LYS 173 Ca 0.52 -0.65 -0.18 0.00 -0.36 0.00 0.00 55.97 55.30 1nji s LYS 173 Cb -0.10 -2.66 0.07 0.00 -1.51 0.00 0.00 37.83 33.63 1nji s LYS 173 CO 0.24 0.29 0.61 0.42 -0.36 0.00 0.00 175.35 176.54 1nji s ILE 174 N 0.17 4.92 0.59 5.43 1.01 -1.26 -2.09 121.20 129.97 1nji s ILE 174 Ca -0.06 -0.71 -0.18 0.00 0.00 0.00 0.00 60.65 59.70 1nji s ILE 174 Cb -0.15 -4.32 -0.06 0.00 0.01 0.00 0.00 42.46 37.94 1nji s ILE 174 CO 0.04 -0.85 0.74 0.29 0.00 0.00 0.00 174.94 175.16 1nji n LYS 175 N 6.05 0.67 -3.29 2.79 5.02 -0.50 -5.01 118.16 123.89 1nji n LYS 175 Ca -0.08 0.26 -0.39 0.00 -2.02 0.00 0.00 58.31 56.09 1nji n LYS 175 Cb 0.44 -1.93 -0.06 0.00 -0.02 0.00 0.00 35.03 33.46 1nji n LYS 175 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1nji s ALA 176 N -1.63 3.58 0.00 7.82 0.00 -1.26 -4.89 121.76 125.38 1nji s ALA 176 Ca 0.73 -0.00 0.00 0.00 0.00 0.00 0.00 51.96 52.68 1nji s ALA 176 Cb -0.43 -2.63 0.00 0.00 0.00 0.00 0.00 23.12 20.06 1nji s ALA 176 CO 0.50 0.34 0.00 0.41 0.00 0.00 0.00 175.76 177.02 1nji n GLY 177 N 1.95 1.50 0.00 0.00 0.00 -1.26 -4.75 105.19 102.62 1nji n GLY 177 Ca -0.10 -2.11 0.12 0.00 0.00 0.00 0.00 46.02 43.93 1nji n GLY 177 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1nji n GLN 178 N 0.33 0.66 -0.33 1.61 6.02 -1.26 -3.45 117.38 120.97 1nji n GLN 178 Ca 0.00 0.01 0.18 0.00 -0.01 0.00 0.00 57.00 57.18 1nji n GLN 178 Cb 0.00 -1.50 0.42 0.00 1.02 0.00 0.00 30.24 30.18 1nji n GLN 178 CO 0.00 0.00 0.00 0.78 -1.01 0.00 0.00 177.06 176.83 1nji h GLY 179 N 3.72 1.51 -0.63 1.08 0.00 -1.85 0.54 103.07 107.43 1nji h GLY 179 Ca 0.00 -0.28 0.23 0.00 0.00 0.00 0.00 47.33 47.28 1nji h GLY 179 CO 0.00 -0.11 0.09 0.23 0.00 0.00 0.00 176.54 176.75 1nji h SER 180 N 0.57 -0.28 0.48 0.19 0.87 -1.66 0.46 113.55 114.17 1nji h SER 180 Ca 0.58 0.23 0.00 0.00 -1.23 0.00 0.00 61.79 61.37 1nji h SER 180 Cb 1.18 0.37 0.00 0.00 -0.44 0.00 0.00 62.40 63.51 1nji h SER 180 CO -0.34 -0.24 0.00 0.00 -0.53 0.00 0.00 176.83 175.71 1nji n ALA 181 N -2.94 1.52 -0.50 6.23 0.00 0.19 -2.45 120.51 122.56 1nji n ALA 181 Ca 0.20 0.04 0.06 0.00 0.00 0.00 0.00 53.44 53.74 1nji n ALA 181 Cb 0.66 -1.28 0.17 0.00 0.00 0.00 0.00 19.45 19.00 1nji n ALA 181 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1nji n ARG 182 N -1.88 2.78 -0.35 0.00 1.74 0.15 -4.95 116.66 114.16 1nji n ARG 182 Ca 0.02 -2.29 0.00 0.00 -0.77 0.00 0.00 57.85 54.81 1nji n ARG 182 Cb 0.16 -1.45 0.00 0.00 -1.02 0.00 0.00 32.46 30.15 1nji n ARG 182 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1nji n GLY 183 N -0.11 0.82 2.36 -0.13 0.00 -1.03 -4.97 105.19 102.13 1nji n GLY 183 Ca 0.14 -0.06 -0.29 0.00 0.00 0.00 0.00 46.02 45.81 1nji n GLY 183 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1nji n ARG 184 N -2.35 3.26 -0.08 1.61 1.74 -0.52 -4.77 116.66 115.54 1nji n ARG 184 Ca 0.00 -4.02 -0.10 0.00 -0.77 0.00 0.00 57.85 52.96 1nji n ARG 184 Cb 0.00 -2.27 -0.04 0.00 -1.02 0.00 0.00 32.46 29.13 1nji n ARG 184 CO 0.00 0.00 0.00 -0.22 -1.52 0.00 0.00 177.63 175.89 1nji h LYS 185 N 2.40 0.40 -6.46 5.56 3.64 -1.76 -3.32 116.57 117.03 1nji h LYS 185 Ca 0.42 -0.09 -0.43 0.00 -1.27 0.00 0.00 60.65 59.28 1nji h LYS 185 Cb 0.97 -0.06 0.02 0.00 -0.41 0.00 0.00 32.23 32.76 1nji h LYS 185 CO 1.05 0.47 -0.24 0.71 -2.27 0.00 0.00 179.45 179.17 1nji s TYR 186 N -5.40 2.60 -0.20 1.91 1.51 -1.26 -1.41 117.35 115.10 1nji s TYR 186 Ca -0.14 -0.45 -0.29 0.00 -1.01 0.00 0.00 57.07 55.18 1nji s TYR 186 Cb 0.08 -2.35 0.13 0.00 -0.11 0.00 0.00 41.96 39.72 1nji s TYR 186 CO 0.73 -0.52 1.05 -0.98 -1.11 0.00 0.00 175.55 174.72 1nji s ARG 187 N -4.39 0.51 0.09 -0.62 1.04 -0.89 -4.87 118.95 109.83 1nji s ARG 187 Ca 0.56 0.22 -0.10 0.00 -1.04 0.00 0.00 55.73 55.37 1nji s ARG 187 Cb -0.09 0.24 0.01 0.00 -2.04 0.00 0.00 34.95 33.07 1nji s ARG 187 CO 0.34 -0.14 0.23 -0.98 -0.04 0.00 0.00 175.30 174.71 1nji s ARG 188 N -0.79 0.87 0.70 3.89 1.70 -1.26 0.01 118.95 124.07 1nji s ARG 188 Ca 0.00 -0.88 -0.16 0.00 -0.47 0.00 0.00 55.73 54.22 1nji s ARG 188 Cb -0.02 0.36 0.01 0.00 -0.57 0.00 0.00 34.95 34.74 1nji s ARG 188 CO -0.01 -0.29 1.15 -2.30 -1.08 0.00 0.00 175.30 172.77 1nji n PRO 189 N -0.02 0.70 -3.39 3.89 -0.02 -1.26 -4.98 135.00 129.93 1nji n PRO 189 Ca -0.16 0.30 -0.37 0.00 -2.02 0.00 0.00 63.50 61.25 1nji n PRO 189 Cb 0.62 -2.39 -0.06 0.00 -0.02 0.00 0.00 33.50 31.64 1nji n PRO 189 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1nji s ALA 190 N -1.69 3.52 0.00 3.55 0.00 -1.26 -4.43 121.76 121.45 1nji s ALA 190 Ca 0.77 -0.32 0.00 0.00 0.00 0.00 0.00 51.96 52.42 1nji s ALA 190 Cb -0.35 -2.58 0.00 0.00 0.00 0.00 0.00 23.12 20.19 1nji s ALA 190 CO 0.46 -0.03 0.00 -1.13 0.00 0.00 0.00 175.76 175.06 1nji n SER 191 N 3.80 0.00 -4.75 0.00 3.41 0.34 -4.94 113.62 111.48 1nji n SER 191 Ca -0.08 0.00 -0.41 0.00 -0.26 0.00 0.00 58.87 58.12 1nji n SER 191 Cb 0.52 0.00 -0.04 0.00 -0.26 0.00 0.00 64.21 64.42 1nji n SER 191 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 1nji s ILE 192 N 4.01 3.76 -0.23 -1.33 1.01 -1.26 -4.64 121.20 122.52 1nji s ILE 192 Ca 0.00 1.62 -0.09 0.00 0.00 0.00 0.00 60.65 62.17 1nji s ILE 192 Cb 0.00 -4.03 -0.04 0.00 0.01 0.00 0.00 42.46 38.39 1nji s ILE 192 CO 0.00 0.32 0.13 -0.22 0.00 0.00 0.00 174.94 175.17 1nji s LEU 193 N -0.78 3.95 -0.39 2.97 2.96 -1.09 -1.51 118.68 124.79 1nji s LEU 193 Ca 0.47 0.05 -0.12 0.00 -0.22 0.00 0.00 54.13 54.32 1nji s LEU 193 Cb -0.30 -2.05 0.03 0.00 0.50 0.00 0.00 46.19 44.38 1nji s LEU 193 CO 0.37 0.07 0.23 -0.36 -1.32 0.00 0.00 176.35 175.34 1nji s PHE 194 N 1.01 3.25 -0.35 5.38 0.40 0.56 -1.83 117.98 126.40 1nji s PHE 194 Ca 0.06 -0.97 -0.14 0.00 -0.60 0.00 0.00 56.93 55.29 1nji s PHE 194 Cb -0.14 -2.53 -0.01 0.00 0.51 0.00 0.00 43.02 40.85 1nji s PHE 194 CO 0.04 -0.67 0.29 0.08 0.70 0.00 0.00 175.22 175.66 1nji s VAL 195 N 1.56 5.24 0.00 -0.44 1.01 -0.58 -0.65 120.40 126.54 1nji s VAL 195 Ca 0.02 -0.19 0.00 0.00 0.00 0.00 0.00 61.98 61.81 1nji s VAL 195 Cb -0.20 -3.79 0.00 0.00 0.00 0.00 0.00 36.38 32.40 1nji s VAL 195 CO 0.07 -0.09 0.00 0.35 0.00 0.00 0.00 175.10 175.43 1nji n THR 196 N 5.17 0.00 0.00 3.92 -2.24 0.31 -2.28 114.28 119.16 1nji n THR 196 Ca -0.11 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.67 1nji n THR 196 Cb 0.49 -0.67 0.00 0.00 -2.10 0.00 0.00 70.33 68.05 1nji n THR 196 CO 0.00 0.00 0.00 -0.24 -0.57 0.00 0.00 175.07 174.26 1nji n SER 197 N -0.56 1.38 -0.06 3.42 2.88 -1.26 -1.53 113.62 117.88 1nji n SER 197 Ca 0.00 0.00 -0.18 0.00 -1.33 0.00 0.00 58.87 57.36 1nji n SER 197 Cb 0.00 0.00 -0.13 0.00 -0.75 0.00 0.00 64.21 63.33 1nji n SER 197 CO 0.00 0.00 0.00 0.44 -1.23 0.00 0.00 175.04 174.25 1nji h ASP 198 N 0.00 0.10 -4.85 -3.46 3.32 -1.99 -3.43 116.42 106.10 1nji h ASP 198 Ca 0.00 -0.80 -0.10 0.00 0.02 0.00 0.00 57.03 56.16 1nji h ASP 198 Cb 0.83 -0.03 -0.20 0.00 0.22 0.00 0.00 39.33 40.15 1nji h ASP 198 CO 0.00 1.31 -0.12 -1.61 -1.72 0.00 0.00 179.24 177.10 1nji s GLU 199 N -2.33 0.77 0.45 3.56 2.02 -1.26 -5.10 118.70 116.81 1nji s GLU 199 Ca -0.22 0.05 -0.23 0.00 0.02 0.00 0.00 54.97 54.59 1nji s GLU 199 Cb 0.02 0.35 -0.10 0.00 0.10 0.00 0.00 34.13 34.51 1nji s GLU 199 CO 0.68 -0.21 0.99 -2.30 0.02 0.00 0.00 175.26 174.43 1nji n PRO 200 N 1.37 1.27 -1.87 0.39 -0.02 -1.26 -4.78 135.00 130.10 1nji n PRO 200 Ca -0.20 0.46 -0.40 0.00 -2.02 0.00 0.00 63.50 61.34 1nji n PRO 200 Cb 0.56 -2.06 -0.03 0.00 -0.02 0.00 0.00 33.50 31.96 1nji n PRO 200 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 1nji s SER 201 N -0.82 5.33 0.25 2.55 0.15 -1.26 -4.81 113.70 115.08 1nji s SER 201 Ca 0.65 1.03 -0.04 0.00 0.70 0.00 0.00 55.95 58.30 1nji s SER 201 Cb -0.53 -2.52 0.28 0.00 -1.71 0.00 0.00 66.02 61.54 1nji s SER 201 CO 0.55 -2.20 1.76 0.74 1.20 0.00 0.00 173.24 175.29 1nji h THR 202 N 7.06 1.24 0.00 6.45 2.02 -1.90 -1.34 112.91 126.46 1nji h THR 202 Ca -0.30 -0.96 -0.04 0.00 0.77 0.00 0.00 66.41 65.88 1nji h THR 202 Cb 1.20 0.73 -0.01 0.00 -1.74 0.00 0.00 68.15 68.33 1nji h THR 202 CO 1.11 0.35 -0.18 0.00 0.37 0.00 0.00 175.52 177.17 1nji h ALA 203 N 1.22 1.37 0.00 6.16 0.00 -1.80 -3.25 119.26 122.97 1nji h ALA 203 Ca 0.17 -0.16 -0.20 0.00 0.00 0.00 0.00 54.91 54.72 1nji h ALA 203 Cb 0.40 -0.03 -0.04 0.00 0.00 0.00 0.00 17.79 18.12 1nji h ALA 203 CO 0.01 0.22 -2.07 0.00 0.00 0.00 0.00 179.25 177.41 1nji n ALA 204 N -2.36 2.00 -0.27 0.00 0.00 -1.07 -3.62 120.51 115.20 1nji n ALA 204 Ca -0.02 -0.89 0.06 0.00 0.00 0.00 0.00 53.44 52.60 1nji n ALA 204 Cb 0.28 -0.32 0.18 0.00 0.00 0.00 0.00 19.45 19.58 1nji n ALA 204 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 177.50 177.57 1nji h ARG 205 N 0.00 0.09 0.00 0.00 0.11 -1.28 0.17 114.38 113.47 1nji h ARG 205 Ca -0.29 -0.01 0.00 0.00 0.10 0.00 0.00 59.98 59.78 1nji h ARG 205 Cb 1.62 -0.02 0.00 0.00 1.11 0.00 0.00 29.97 32.68 1nji h ARG 205 CO 0.02 0.06 0.00 -1.71 0.10 0.00 0.00 179.97 178.44 1nji n ASN 206 N -5.36 0.00 -4.75 0.08 5.15 -1.26 -4.64 115.26 104.47 1nji n ASN 206 Ca 0.15 -0.01 -0.41 0.00 -0.60 0.00 0.00 54.58 53.70 1nji n ASN 206 Cb 0.51 -0.23 -0.02 0.00 -0.53 0.00 0.00 39.78 39.51 1nji n ASN 206 CO 0.00 0.00 0.00 -0.76 1.40 0.00 0.00 177.26 177.90 1nji s LEU 207 N -2.47 4.35 -0.42 1.20 1.43 0.60 -4.83 118.68 118.55 1nji s LEU 207 Ca 0.15 2.92 -0.45 0.00 -1.03 0.00 0.00 54.13 55.72 1nji s LEU 207 Cb 0.10 -3.63 -0.19 0.00 0.03 0.00 0.00 46.19 42.50 1nji s LEU 207 CO 0.21 -0.89 1.64 0.00 0.23 0.00 0.00 176.35 177.54 1nji n ALA 208 N 2.21 -1.01 -0.53 4.21 0.00 -1.26 0.10 120.51 124.23 1nji n ALA 208 Ca 0.08 0.46 0.00 0.00 0.00 0.00 0.00 53.44 53.98 1nji n ALA 208 Cb 0.38 -2.02 0.00 0.00 0.00 0.00 0.00 19.45 17.81 1nji n ALA 208 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1nji n GLY 209 N 4.03 0.72 3.80 0.00 0.00 -1.26 -4.58 105.19 107.90 1nji n GLY 209 Ca 0.29 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.99 1nji n GLY 209 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1nji s ALA 210 N -2.25 2.65 -0.01 4.61 0.00 0.11 -0.50 121.76 126.37 1nji s ALA 210 Ca 0.00 0.39 0.01 0.00 0.00 0.00 0.00 51.96 52.36 1nji s ALA 210 Cb 0.00 -3.25 0.00 0.00 0.00 0.00 0.00 23.12 19.88 1nji s ALA 210 CO 0.00 -1.01 -0.03 -0.51 0.00 0.00 0.00 175.76 174.21 1nji s ASP 211 N -2.88 0.46 0.01 0.00 1.01 -0.57 -4.87 116.67 109.83 1nji s ASP 211 Ca 0.64 -0.07 0.03 0.00 0.71 0.00 0.00 52.55 53.86 1nji s ASP 211 Cb -0.17 -0.09 -0.03 0.00 1.01 0.00 0.00 42.92 43.64 1nji s ASP 211 CO 0.41 0.02 -0.06 0.68 0.21 0.00 0.00 175.17 176.43 1nji s VAL 212 N 0.10 3.71 0.16 -1.27 -7.23 -1.26 -0.32 120.40 114.28 1nji s VAL 212 Ca -0.01 -0.79 -0.10 0.00 -1.81 0.00 0.00 61.98 59.27 1nji s VAL 212 Cb -0.04 -2.63 -0.00 0.00 0.56 0.00 0.00 36.38 34.27 1nji s VAL 212 CO -0.00 0.36 0.31 0.00 -0.31 0.00 0.00 175.10 175.47 1nji s ALA 213 N -1.03 -0.17 -0.05 1.32 0.00 0.17 -4.90 121.76 117.09 1nji s ALA 213 Ca 0.18 -0.75 0.03 0.00 0.00 0.00 0.00 51.96 51.42 1nji s ALA 213 Cb -0.11 0.83 -0.03 0.00 0.00 0.00 0.00 23.12 23.81 1nji s ALA 213 CO 0.09 -0.66 -0.13 0.99 0.00 0.00 0.00 175.76 176.05 1nji s THR 214 N -3.94 3.18 0.30 0.00 2.01 -1.26 -0.53 115.64 115.40 1nji s THR 214 Ca 0.15 -0.68 0.06 0.00 0.31 0.00 0.00 61.69 61.53 1nji s THR 214 Cb 0.03 -2.26 0.30 0.00 0.01 0.00 0.00 72.50 70.58 1nji s THR 214 CO -0.02 0.59 1.77 0.00 -0.69 0.00 0.00 174.62 176.27 1nji h ALA 215 N 5.35 1.65 0.00 7.40 0.00 -1.55 0.14 119.26 132.26 1nji h ALA 215 Ca -0.46 0.09 -0.04 0.00 0.00 0.00 0.00 54.91 54.50 1nji h ALA 215 Cb 1.16 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.88 1nji h ALA 215 CO 0.51 -0.08 -0.18 0.66 0.00 0.00 0.00 179.25 180.16 1nji h SER 216 N 0.73 0.00 0.00 0.00 4.64 -1.88 -3.30 113.55 113.73 1nji h SER 216 Ca 0.58 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.90 1nji h SER 216 Cb 0.93 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.02 1nji h SER 216 CO -0.40 0.18 -0.16 -1.84 -0.87 0.00 0.00 176.83 173.74 1nji n GLU 217 N -3.63 0.85 -1.96 4.77 0.28 -0.70 -5.05 120.64 115.20 1nji n GLU 217 Ca -0.01 -1.32 -0.41 0.00 -0.16 0.00 0.00 57.16 55.25 1nji n GLU 217 Cb 0.31 -0.82 -0.02 0.00 1.43 0.00 0.00 31.44 32.33 1nji n GLU 217 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 177.13 177.51 1nji s VAL 218 N -0.84 2.52 0.46 3.84 0.11 0.42 -4.88 120.40 122.03 1nji s VAL 218 Ca 0.07 0.44 0.01 0.00 -2.93 0.00 0.00 61.98 59.58 1nji s VAL 218 Cb 0.06 -3.28 0.01 0.00 -1.53 0.00 0.00 36.38 31.65 1nji s VAL 218 CO 0.01 0.07 0.12 -0.46 -3.33 0.00 0.00 175.10 171.50 1nji n ASN 219 N 2.19 3.03 0.24 3.54 0.23 -1.26 -5.02 115.26 118.21 1nji n ASN 219 Ca 0.07 -2.88 0.10 0.00 -0.53 0.00 0.00 54.58 51.33 1nji n ASN 219 Cb 0.40 0.20 0.66 0.00 -2.08 0.00 0.00 39.78 38.97 1nji n ASN 219 CO 0.00 0.00 0.00 0.74 -0.93 0.00 0.00 177.26 177.07 1nji h THR 220 N 1.05 0.94 0.06 5.53 2.02 -1.91 -1.48 112.91 119.11 1nji h THR 220 Ca -0.35 0.00 -0.00 0.00 0.77 0.00 0.00 66.41 66.82 1nji h THR 220 Cb 1.13 0.97 0.00 0.00 -1.74 0.00 0.00 68.15 68.52 1nji h THR 220 CO 0.58 0.00 -0.03 -0.33 0.37 0.00 0.00 175.52 176.11 1nji h GLU 221 N 0.00 -0.08 -0.16 6.66 5.08 -1.91 0.14 114.58 124.30 1nji h GLU 221 Ca 0.02 0.01 -0.07 0.00 -1.00 0.00 0.00 59.36 58.32 1nji h GLU 221 Cb 0.10 0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.35 1nji h GLU 221 CO -0.00 0.43 -0.19 0.38 -1.00 0.00 0.00 179.01 178.63 1nji h ASP 222 N -0.64 0.27 0.06 1.42 3.04 -1.93 0.25 116.42 118.88 1nji h ASP 222 Ca -0.01 -0.07 -0.21 0.00 -3.24 0.00 0.00 57.03 53.50 1nji h ASP 222 Cb 0.55 -0.07 0.00 0.00 -1.04 0.00 0.00 39.33 38.77 1nji h ASP 222 CO 0.01 0.48 -0.79 -0.07 -2.04 0.00 0.00 179.24 176.83 1nji h LEU 223 N 0.26 0.73 -6.17 0.15 4.07 -1.30 -3.39 115.31 109.67 1nji h LEU 223 Ca 0.05 -0.50 -0.57 0.00 0.08 0.00 0.00 57.88 56.94 1nji h LEU 223 Cb 0.50 -0.22 -0.39 0.00 1.08 0.00 0.00 40.66 41.63 1nji h LEU 223 CO 0.03 1.27 -1.01 0.00 -1.08 0.00 0.00 178.44 177.65 1nji n ALA 224 N -2.57 2.72 -1.63 1.53 0.00 0.49 -3.54 120.51 117.51 1nji n ALA 224 Ca -0.06 -3.44 -0.44 0.00 0.00 0.00 0.00 53.44 49.49 1nji n ALA 224 Cb 0.75 -0.81 -0.02 0.00 0.00 0.00 0.00 19.45 19.38 1nji n ALA 224 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 1nji n PRO 225 N 1.85 1.63 -1.38 0.00 -0.04 0.84 -0.77 135.00 137.13 1nji n PRO 225 Ca 0.24 0.57 -0.13 0.00 -0.04 0.00 0.00 63.50 64.15 1nji n PRO 225 Cb 0.50 -2.05 -0.06 0.00 -0.04 0.00 0.00 33.50 31.85 1nji n PRO 225 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1nji n GLY 226 N 1.30 1.31 2.84 0.55 0.00 -1.26 -1.94 105.19 107.99 1nji n GLY 226 Ca 0.09 -0.09 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1nji n GLY 226 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1nji n GLY 227 N -0.33 0.94 3.62 -0.02 0.00 0.05 -5.01 105.19 104.44 1nji n GLY 227 Ca -0.13 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.48 1nji n GLY 227 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1nji s ALA 228 N -3.75 3.59 0.64 4.61 0.00 -0.82 -4.22 121.76 121.81 1nji s ALA 228 Ca 0.00 -0.43 -0.14 0.00 0.00 0.00 0.00 51.96 51.39 1nji s ALA 228 Cb 0.00 -3.12 -0.01 0.00 0.00 0.00 0.00 23.12 19.98 1nji s ALA 228 CO 0.00 -0.94 1.07 -2.14 0.00 0.00 0.00 175.76 173.75 1nji s PRO 229 N 2.64 3.08 0.00 0.00 0.02 -1.26 -3.98 135.00 135.50 1nji s PRO 229 Ca 0.28 1.18 0.00 0.00 0.02 0.00 0.00 61.00 62.48 1nji s PRO 229 Cb -0.15 -2.00 0.00 0.00 0.02 0.00 0.00 34.50 32.37 1nji s PRO 229 CO 0.10 -1.00 0.00 0.41 -0.33 0.00 0.00 177.00 176.17 1nji n GLY 230 N -1.14 0.90 3.74 0.52 0.00 -1.26 -4.68 105.19 103.28 1nji n GLY 230 Ca 0.09 -0.55 -0.37 0.00 0.00 0.00 0.00 46.02 45.19 1nji n GLY 230 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1nji s ARG 231 N -2.50 4.22 -0.33 1.61 3.52 -1.23 -4.13 118.95 120.10 1nji s ARG 231 Ca 0.00 0.17 -0.30 0.00 -0.13 0.00 0.00 55.73 55.47 1nji s ARG 231 Cb 0.00 -3.40 -0.08 0.00 -1.56 0.00 0.00 34.95 29.91 1nji s ARG 231 CO 0.00 0.28 2.27 -0.11 -0.81 0.00 0.00 175.30 176.92 1nji n LEU 232 N 3.41 2.68 -4.67 -0.88 7.94 -1.26 -4.80 117.00 119.42 1nji n LEU 232 Ca -0.12 0.13 -0.24 0.00 -1.11 0.00 0.00 56.01 54.67 1nji n LEU 232 Cb 0.52 -1.46 -0.08 0.00 0.53 0.00 0.00 43.42 42.93 1nji n LEU 232 CO 0.40 -0.86 -0.25 -0.89 -1.11 0.00 0.00 177.39 174.67 1nji s THR 233 N 8.77 2.70 -0.18 1.96 2.01 -1.26 -2.66 115.64 126.98 1nji s THR 233 Ca 1.04 -1.86 -0.04 0.00 0.31 0.00 0.00 61.69 61.14 1nji s THR 233 Cb -0.48 -2.88 0.07 0.00 0.01 0.00 0.00 72.50 69.22 1nji s THR 233 CO 0.38 -0.17 0.15 0.54 -0.69 0.00 0.00 174.62 174.83 1nji s VAL 234 N -2.50 -0.21 0.72 3.82 0.11 -0.76 -2.48 120.40 119.11 1nji s VAL 234 Ca 0.36 -0.10 -0.02 0.00 -2.93 0.00 0.00 61.98 59.29 1nji s VAL 234 Cb -0.00 -0.60 0.12 0.00 -1.53 0.00 0.00 36.38 34.37 1nji s VAL 234 CO 0.21 -0.22 1.00 -0.36 -3.33 0.00 0.00 175.10 172.40 1nji s PHE 235 N 2.23 1.71 -0.00 1.54 0.40 0.18 -1.53 117.98 122.52 1nji s PHE 235 Ca 0.04 -0.20 0.05 0.00 -0.60 0.00 0.00 56.93 56.22 1nji s PHE 235 Cb -0.16 -3.05 -0.03 0.00 0.51 0.00 0.00 43.02 40.30 1nji s PHE 235 CO -0.10 -1.70 -0.15 -0.08 0.70 0.00 0.00 175.22 173.88 1nji s THR 236 N -3.16 2.97 0.10 0.64 -1.32 -0.97 -2.27 115.64 111.63 1nji s THR 236 Ca 0.66 -0.95 -0.20 0.00 -1.21 0.00 0.00 61.69 59.99 1nji s THR 236 Cb -0.06 -2.21 -0.05 0.00 -1.51 0.00 0.00 72.50 68.67 1nji s THR 236 CO 0.44 0.45 1.01 1.21 -2.21 0.00 0.00 174.62 175.53 1nji n GLU 237 N 1.88 -0.29 -0.18 7.08 4.07 0.17 0.80 120.64 134.18 1nji n GLU 237 Ca -0.16 0.99 -0.09 0.00 -0.06 0.00 0.00 57.16 57.84 1nji n GLU 237 Cb 0.52 -1.46 0.01 0.00 -0.06 0.00 0.00 31.44 30.45 1nji n GLU 237 CO 0.00 0.00 0.00 0.77 -0.06 0.00 0.00 177.13 177.84 1nji h SER 238 N 0.00 0.80 0.02 4.31 0.02 -1.95 -2.82 113.55 113.93 1nji h SER 238 Ca 0.10 -0.25 0.03 0.00 -0.84 0.00 0.00 61.79 60.83 1nji h SER 238 Cb 0.27 -0.21 -0.04 0.00 0.14 0.00 0.00 62.40 62.55 1nji h SER 238 CO -0.61 0.85 -0.26 0.00 -1.14 0.00 0.00 176.83 175.67 1nji h ALA 239 N 0.98 -0.36 -0.97 3.77 0.00 -0.17 -0.42 119.26 122.10 1nji h ALA 239 Ca 0.16 -0.01 0.21 0.00 0.00 0.00 0.00 54.91 55.27 1nji h ALA 239 Cb 0.38 0.45 -0.12 0.00 0.00 0.00 0.00 17.79 18.50 1nji h ALA 239 CO 0.01 -0.76 0.55 1.25 0.00 0.00 0.00 179.25 180.29 1nji h LEU 240 N -0.41 0.63 -0.39 0.00 6.46 0.50 -0.05 115.31 122.06 1nji h LEU 240 Ca 0.06 0.12 -0.10 0.00 -0.12 0.00 0.00 57.88 57.83 1nji h LEU 240 Cb 0.48 0.02 -0.01 0.00 -0.73 0.00 0.00 40.66 40.42 1nji h LEU 240 CO -0.22 0.16 -0.16 0.00 -0.62 0.00 0.00 178.44 177.60 1nji h ALA 241 N 1.68 0.55 0.21 1.25 0.00 -0.95 -3.19 119.26 118.81 1nji h ALA 241 Ca 0.59 -0.35 -0.01 0.00 0.00 0.00 0.00 54.91 55.13 1nji h ALA 241 Cb 1.02 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.68 1nji h ALA 241 CO -0.44 0.47 -0.10 0.93 0.00 0.00 0.00 179.25 180.11 1nji h GLU 242 N 0.60 -0.28 -1.12 0.00 5.08 0.49 -2.92 114.58 116.43 1nji h GLU 242 Ca 0.09 0.02 0.37 0.00 -1.00 0.00 0.00 59.36 58.84 1nji h GLU 242 Cb 0.71 0.06 -0.14 0.00 0.50 0.00 0.00 28.75 29.88 1nji h GLU 242 CO 0.05 -0.06 0.68 0.28 -1.00 0.00 0.00 179.01 178.97 1nji h VAL 243 N -0.46 0.21 -1.03 3.13 2.07 -1.20 -1.39 116.25 117.58 1nji h VAL 243 Ca -0.03 -0.07 0.32 0.00 0.82 0.00 0.00 66.70 67.74 1nji h VAL 243 Cb 0.35 0.00 -0.14 0.00 -1.52 0.00 0.00 31.29 29.98 1nji h VAL 243 CO 0.05 0.04 0.60 0.00 0.02 0.00 0.00 177.57 178.28 1nji h ALA 244 N 1.75 2.02 -0.31 1.67 0.00 -1.49 0.77 119.26 123.66 1nji h ALA 244 Ca 0.77 0.17 0.00 0.00 0.00 0.00 0.00 54.91 55.85 1nji h ALA 244 Cb 2.08 0.13 0.00 0.00 0.00 0.00 0.00 17.79 20.00 1nji h ALA 244 CO -0.53 -0.60 0.00 0.39 0.00 0.00 0.00 179.25 178.51 1nji n GLU 245 N -4.97 1.94 0.00 0.00 1.02 -0.52 -4.71 120.64 113.39 1nji n GLU 245 Ca 0.31 -1.43 0.16 0.00 -0.02 0.00 0.00 57.16 56.17 1nji n GLU 245 Cb 0.98 -1.38 0.85 0.00 -0.02 0.00 0.00 31.44 31.88 1nji n GLU 245 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85