#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1nji n GLU 5 N 0.00 -4.98 -3.47 0.00 1.02 -1.26 -5.03 120.64 106.91 1nji n GLU 5 Ca 0.00 3.58 -0.22 0.00 -0.02 0.00 0.00 57.16 60.50 1nji n GLU 5 Cb 0.00 -4.34 -0.12 0.00 -0.02 0.00 0.00 31.44 26.96 1nji n GLU 5 CO 0.00 0.00 0.00 0.12 1.18 0.00 0.00 177.13 178.43 1nji s PHE 6 N -0.54 -0.15 -0.82 -0.32 5.36 -1.26 -5.06 117.98 115.19 1nji s PHE 6 Ca 0.00 -0.33 -0.27 0.00 -0.96 0.00 0.00 56.93 55.37 1nji s PHE 6 Cb 0.00 -0.59 -0.25 0.00 -0.34 0.00 0.00 43.02 41.84 1nji s PHE 6 CO 0.00 -0.82 1.96 -0.25 -1.46 0.00 0.00 175.22 174.65 1nji n ASP 7 N 5.29 1.56 -4.68 6.13 8.00 -1.26 -4.89 116.55 126.70 1nji n ASP 7 Ca -0.04 -2.53 -0.42 0.00 0.71 0.00 0.00 54.79 52.50 1nji n ASP 7 Cb 0.46 -1.41 -0.03 0.00 -0.02 0.00 0.00 41.12 40.12 1nji n ASP 7 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1nji s ALA 8 N 13.40 3.44 0.03 2.24 0.00 -1.26 -4.82 121.76 134.80 1nji s ALA 8 Ca 0.76 0.32 0.30 0.00 0.00 0.00 0.00 51.96 53.34 1nji s ALA 8 Cb 0.02 -3.42 1.11 0.00 0.00 0.00 0.00 23.12 20.83 1nji s ALA 8 CO 0.22 -0.64 1.89 -0.44 0.00 0.00 0.00 175.76 176.79 1nji h ASP 9 N 7.14 0.00 -3.65 0.00 3.32 -1.08 -3.43 116.42 118.72 1nji h ASP 9 Ca -0.30 0.00 -0.19 0.00 0.02 0.00 0.00 57.03 56.56 1nji h ASP 9 Cb 1.14 0.00 -0.28 0.00 0.22 0.00 0.00 39.33 40.41 1nji h ASP 9 CO 0.86 0.06 -0.51 -0.69 -1.72 0.00 0.00 179.24 177.24 1nji s VAL 10 N -3.60 -0.02 -0.23 -1.35 1.01 -0.90 -4.98 120.40 110.34 1nji s VAL 10 Ca 0.02 0.06 0.01 0.00 0.00 0.00 0.00 61.98 62.07 1nji s VAL 10 Cb 0.09 -0.29 0.04 0.00 0.00 0.00 0.00 36.38 36.22 1nji s VAL 10 CO 0.58 0.02 -0.12 -0.63 0.00 0.00 0.00 175.10 174.96 1nji s ILE 11 N 0.51 2.32 -0.14 2.22 1.01 -1.26 -1.96 121.20 123.89 1nji s ILE 11 Ca -0.03 -1.27 -0.07 0.00 0.00 0.00 0.00 60.65 59.28 1nji s ILE 11 Cb -0.05 -2.20 -0.04 0.00 0.01 0.00 0.00 42.46 40.18 1nji s ILE 11 CO -0.03 0.20 0.09 -0.69 0.00 0.00 0.00 174.94 174.51 1nji s VAL 12 N 1.22 5.07 -0.33 2.92 1.01 0.69 -0.08 120.40 130.89 1nji s VAL 12 Ca -0.02 0.05 -0.14 0.00 0.00 0.00 0.00 61.98 61.87 1nji s VAL 12 Cb -0.17 -3.23 -0.02 0.00 0.00 0.00 0.00 36.38 32.96 1nji s VAL 12 CO -0.07 0.55 0.30 -0.62 0.00 0.00 0.00 175.10 175.26 1nji s ASP 13 N -0.41 6.13 0.28 3.32 -1.08 -0.40 0.45 116.67 124.96 1nji s ASP 13 Ca 0.10 -0.26 0.24 0.00 -0.52 0.00 0.00 52.55 52.12 1nji s ASP 13 Cb -0.12 -2.17 0.49 0.00 -1.46 0.00 0.00 42.92 39.66 1nji s ASP 13 CO 0.02 -0.27 1.57 0.00 0.52 0.00 0.00 175.17 177.01 1nji h ALA 14 N 8.45 0.88 -1.22 3.66 0.00 -1.32 -3.44 119.26 126.27 1nji h ALA 14 Ca -0.31 0.00 -0.81 0.00 0.00 0.00 0.00 54.91 53.79 1nji h ALA 14 Cb 1.15 0.00 0.02 0.00 0.00 0.00 0.00 17.79 18.96 1nji h ALA 14 CO 0.66 0.00 0.69 -2.13 0.00 0.00 0.00 179.25 178.47 1nji n ARG 15 N -2.58 0.45 -2.65 0.00 0.63 -1.26 -0.35 116.66 110.91 1nji n ARG 15 Ca 0.04 0.17 -0.21 0.00 -0.92 0.00 0.00 57.85 56.92 1nji n ARG 15 Cb 0.48 -1.73 0.01 0.00 0.45 0.00 0.00 32.46 31.66 1nji n ARG 15 CO 0.00 0.00 0.00 -0.25 -2.51 0.00 0.00 177.63 174.87 1nji n ASP 16 N 4.15 -5.91 -4.42 6.15 9.92 -0.24 -4.93 116.55 121.26 1nji n ASP 16 Ca 0.28 -0.12 -0.29 0.00 -0.53 0.00 0.00 54.79 54.13 1nji n ASP 16 Cb 0.03 -4.87 -0.13 0.00 -0.64 0.00 0.00 41.12 35.52 1nji n ASP 16 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1nji s ILE 18 N -1.05 3.64 0.13 0.00 1.01 0.14 -1.11 121.20 123.95 1nji s ILE 18 Ca 0.15 0.59 -0.25 0.00 0.00 0.00 0.00 60.65 61.14 1nji s ILE 18 Cb -0.10 -4.07 -0.06 0.00 0.01 0.00 0.00 42.46 38.24 1nji s ILE 18 CO 0.07 -0.81 1.33 0.80 0.00 0.00 0.00 174.94 176.33 1nji n MET 19 N 8.56 -0.36 -0.10 2.79 0.00 -0.75 -1.12 117.12 126.14 1nji n MET 19 Ca 0.18 1.31 -0.06 0.00 -0.00 0.00 0.00 57.70 59.12 1nji n MET 19 Cb 0.49 -1.92 0.00 0.00 0.00 0.00 0.00 33.22 31.79 1nji n MET 19 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 175.97 176.75 1nji h GLY 20 N 0.00 0.04 1.33 -5.12 0.00 -1.90 0.23 103.07 97.64 1nji h GLY 20 Ca 0.13 0.25 -0.01 0.00 0.00 0.00 0.00 47.33 47.69 1nji h GLY 20 CO -0.76 -0.19 0.34 3.21 0.00 0.00 0.00 176.54 179.13 1nji h ARG 21 N -0.14 0.88 0.19 4.80 3.08 -1.66 0.18 114.38 121.70 1nji h ARG 21 Ca 0.18 -0.10 -0.01 0.00 0.07 0.00 0.00 59.98 60.12 1nji h ARG 21 Cb 0.42 -0.18 0.00 0.00 0.08 0.00 0.00 29.97 30.29 1nji h ARG 21 CO -0.44 0.66 -0.09 0.28 -1.07 0.00 0.00 179.97 179.31 1nji h VAL 22 N 0.89 0.91 -0.57 2.04 2.07 -0.12 -2.89 116.25 118.58 1nji h VAL 22 Ca 0.23 -0.61 0.11 0.00 0.82 0.00 0.00 66.70 67.25 1nji h VAL 22 Cb 0.04 1.27 -0.09 0.00 -1.52 0.00 0.00 31.29 30.99 1nji h VAL 22 CO -0.03 0.14 0.03 0.00 0.02 0.00 0.00 177.57 177.72 1nji h ALA 23 N 0.18 0.59 -0.97 1.67 0.00 -0.11 0.23 119.26 120.85 1nji h ALA 23 Ca -0.03 0.16 0.13 0.00 0.00 0.00 0.00 54.91 55.17 1nji h ALA 23 Cb 0.42 0.27 -0.09 0.00 0.00 0.00 0.00 17.79 18.39 1nji h ALA 23 CO 0.04 -0.37 0.59 1.03 0.00 0.00 0.00 179.25 180.54 1nji h SER 24 N 0.15 0.84 0.17 0.00 0.87 -0.65 0.11 113.55 115.04 1nji h SER 24 Ca 0.30 0.06 -0.31 0.00 -1.23 0.00 0.00 61.79 60.61 1nji h SER 24 Cb 0.46 -0.11 0.03 0.00 -0.44 0.00 0.00 62.40 62.35 1nji h SER 24 CO -0.46 0.43 -1.29 1.56 -0.53 0.00 0.00 176.83 176.54 1nji h GLN 25 N 0.91 0.60 0.00 2.24 4.20 -0.88 -2.85 115.11 119.33 1nji h GLN 25 Ca 0.49 -0.84 -0.03 0.00 0.06 0.00 0.00 58.65 58.34 1nji h GLN 25 Cb 0.54 0.28 -0.00 0.00 0.30 0.00 0.00 27.48 28.60 1nji h GLN 25 CO -0.29 1.38 -0.13 0.28 -0.67 0.00 0.00 178.83 179.41 1nji h VAL 26 N 0.25 0.53 0.06 -0.54 2.07 0.03 -1.51 116.25 117.14 1nji h VAL 26 Ca -0.20 -0.61 -0.00 0.00 0.82 0.00 0.00 66.70 66.71 1nji h VAL 26 Cb 1.96 1.41 0.00 0.00 -1.52 0.00 0.00 31.29 33.14 1nji h VAL 26 CO 0.24 0.13 -0.03 0.00 0.02 0.00 0.00 177.57 177.93 1nji h ALA 27 N 1.87 -0.08 -0.95 1.67 0.00 -0.82 -2.65 119.26 118.29 1nji h ALA 27 Ca -0.00 -0.30 0.16 0.00 0.00 0.00 0.00 54.91 54.76 1nji h ALA 27 Cb 0.40 0.03 -0.10 0.00 0.00 0.00 0.00 17.79 18.12 1nji h ALA 27 CO 0.02 -0.15 0.56 1.49 0.00 0.00 0.00 179.25 181.16 1nji h GLU 28 N -0.86 0.75 0.00 0.00 4.57 -1.24 -1.52 114.58 116.28 1nji h GLU 28 Ca -0.01 -0.05 -0.23 0.00 -1.18 0.00 0.00 59.36 57.90 1nji h GLU 28 Cb 0.63 -0.17 0.00 0.00 -0.16 0.00 0.00 28.75 29.06 1nji h GLU 28 CO 0.01 0.50 -0.95 1.96 -1.18 0.00 0.00 179.01 179.35 1nji h GLN 29 N 0.77 0.41 0.00 1.92 4.20 -1.37 -3.04 115.11 118.00 1nji h GLN 29 Ca 0.52 -0.45 -0.08 0.00 0.06 0.00 0.00 58.65 58.70 1nji h GLN 29 Cb 0.72 0.13 -0.01 0.00 0.30 0.00 0.00 27.48 28.61 1nji h GLN 29 CO -0.35 1.11 -0.39 0.00 -0.67 0.00 0.00 178.83 178.54 1nji h ALA 30 N 0.73 1.31 0.00 3.87 0.00 -0.95 -0.43 119.26 123.79 1nji h ALA 30 Ca -0.08 -0.35 0.00 0.00 0.00 0.00 0.00 54.91 54.48 1nji h ALA 30 Cb 1.59 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 19.32 1nji h ALA 30 CO 0.16 0.48 0.00 1.28 0.00 0.00 0.00 179.25 181.18 1nji n LEU 31 N -4.00 0.30 -0.98 0.00 4.77 -0.66 -2.25 117.00 114.18 1nji n LEU 31 Ca -0.02 0.53 0.10 0.00 -0.03 0.00 0.00 56.01 56.59 1nji n LEU 31 Cb 0.43 -0.44 0.26 0.00 -2.33 0.00 0.00 43.42 41.33 1nji n LEU 31 CO 0.39 -0.10 0.72 0.47 -1.33 0.00 0.00 177.39 177.53 1nji n ASP 32 N -1.79 2.86 0.00 -1.43 8.00 -0.25 -4.91 116.55 119.03 1nji n ASP 32 Ca 0.06 -1.95 0.00 0.00 0.71 0.00 0.00 54.79 53.61 1nji n ASP 32 Cb 0.35 -0.31 0.00 0.00 -0.02 0.00 0.00 41.12 41.15 1nji n ASP 32 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1nji n GLY 33 N 1.37 0.65 3.76 0.44 0.00 -0.95 -5.07 105.19 105.39 1nji n GLY 33 Ca 0.18 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.82 1nji n GLY 33 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1nji s GLU 34 N -0.73 4.71 -0.33 1.61 0.41 -0.70 -4.99 118.70 118.67 1nji s GLU 34 Ca 0.00 1.44 -0.17 0.00 -0.41 0.00 0.00 54.97 55.83 1nji s GLU 34 Cb 0.00 -3.05 -0.01 0.00 -1.78 0.00 0.00 34.13 29.29 1nji s GLU 34 CO 0.00 0.38 0.47 0.99 -0.49 0.00 0.00 175.26 176.61 1nji s THR 35 N -1.38 5.07 0.09 3.63 2.01 -1.26 -4.22 115.64 119.58 1nji s THR 35 Ca 0.46 0.36 0.08 0.00 0.31 0.00 0.00 61.69 62.89 1nji s THR 35 Cb -0.23 -3.90 -0.04 0.00 0.01 0.00 0.00 72.50 68.35 1nji s THR 35 CO 0.29 -0.12 -0.17 -0.69 -0.69 0.00 0.00 174.62 173.24 1nji s VAL 36 N 2.28 2.91 -0.06 3.82 1.01 -0.67 -0.42 120.40 129.27 1nji s VAL 36 Ca 0.17 -1.35 0.01 0.00 0.00 0.00 0.00 61.98 60.81 1nji s VAL 36 Cb -0.16 -2.30 0.02 0.00 0.00 0.00 0.00 36.38 33.94 1nji s VAL 36 CO 0.12 0.19 -0.06 0.00 0.00 0.00 0.00 175.10 175.36 1nji s ALA 37 N -1.07 0.88 -0.21 5.51 0.00 -0.83 -1.85 121.76 124.19 1nji s ALA 37 Ca 0.17 -0.20 -0.08 0.00 0.00 0.00 0.00 51.96 51.85 1nji s ALA 37 Cb -0.11 -0.56 -0.04 0.00 0.00 0.00 0.00 23.12 22.41 1nji s ALA 37 CO 0.09 -0.11 0.10 0.08 0.00 0.00 0.00 175.76 175.92 1nji s VAL 38 N 1.13 4.92 0.13 0.00 1.01 -0.43 -0.22 120.40 126.93 1nji s VAL 38 Ca -0.07 0.02 0.05 0.00 0.00 0.00 0.00 61.98 61.98 1nji s VAL 38 Cb -0.14 -3.25 -0.04 0.00 0.00 0.00 0.00 36.38 32.95 1nji s VAL 38 CO -0.01 0.41 0.04 -0.69 0.00 0.00 0.00 175.10 174.85 1nji s VAL 39 N 0.75 4.11 -1.36 2.92 1.01 0.17 -0.06 120.40 127.94 1nji s VAL 39 Ca 0.05 -1.09 -0.08 0.00 0.00 0.00 0.00 61.98 60.86 1nji s VAL 39 Cb -0.13 -3.02 0.02 0.00 0.00 0.00 0.00 36.38 33.25 1nji s VAL 39 CO 0.02 0.01 1.09 0.59 0.00 0.00 0.00 175.10 176.81 1nji n ASN 40 N 0.18 -5.07 -0.30 3.32 3.02 0.18 -1.03 115.26 115.57 1nji n ASN 40 Ca -0.10 -0.61 0.12 0.00 -0.03 0.00 0.00 54.58 53.96 1nji n ASN 40 Cb 0.53 -4.79 0.35 0.00 -0.61 0.00 0.00 39.78 35.26 1nji n ASN 40 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1nji h ALA 41 N 0.98 1.77 -0.02 5.41 0.00 -1.57 0.25 119.26 126.08 1nji h ALA 41 Ca -0.58 0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.36 1nji h ALA 41 Cb 1.37 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 19.03 1nji h ALA 41 CO 0.57 -0.04 0.02 1.05 0.00 0.00 0.00 179.25 180.86 1nji h GLU 42 N 0.75 0.00 -0.66 0.00 9.09 -1.86 -0.92 114.58 120.98 1nji h GLU 42 Ca 0.48 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.89 1nji h GLU 42 Cb 0.73 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.83 1nji h GLU 42 CO -0.24 0.00 0.00 0.54 0.05 0.00 0.00 179.01 179.36 1nji n ARG 43 N -3.70 3.51 -1.73 1.06 1.74 0.87 -2.09 116.66 116.33 1nji n ARG 43 Ca -0.03 -2.73 -0.31 0.00 -0.77 0.00 0.00 57.85 54.01 1nji n ARG 43 Cb 0.11 -1.84 0.04 0.00 -1.02 0.00 0.00 32.46 29.75 1nji n ARG 43 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1nji s ALA 44 N -1.74 2.82 0.08 7.54 0.00 -0.35 -1.08 121.76 129.02 1nji s ALA 44 Ca 0.49 -0.09 0.01 0.00 0.00 0.00 0.00 51.96 52.37 1nji s ALA 44 Cb 0.31 -3.11 -0.04 0.00 0.00 0.00 0.00 23.12 20.28 1nji s ALA 44 CO 0.25 -1.08 -0.06 0.54 0.00 0.00 0.00 175.76 175.42 1nji s VAL 45 N -3.16 0.54 -0.03 0.00 0.11 -0.27 -1.32 120.40 116.27 1nji s VAL 45 Ca 0.57 -1.79 0.00 0.00 -2.93 0.00 0.00 61.98 57.84 1nji s VAL 45 Cb -0.12 -1.49 0.03 0.00 -1.53 0.00 0.00 36.38 33.26 1nji s VAL 45 CO 0.54 -0.84 -0.00 0.27 -3.33 0.00 0.00 175.10 171.73 1nji s ILE 46 N -3.40 0.21 0.66 7.04 -4.36 -0.58 -1.80 121.20 118.96 1nji s ILE 46 Ca 0.08 0.08 -0.15 0.00 -0.26 0.00 0.00 60.65 60.39 1nji s ILE 46 Cb 0.04 -0.31 -0.00 0.00 1.25 0.00 0.00 42.46 43.44 1nji s ILE 46 CO -0.05 0.16 1.11 -0.89 0.24 0.00 0.00 174.94 175.50 1nji s THR 47 N 1.08 3.27 -2.01 8.37 2.01 -1.26 -0.92 115.64 126.18 1nji s THR 47 Ca -0.09 0.59 0.00 0.00 0.31 0.00 0.00 61.69 62.50 1nji s THR 47 Cb -0.14 -3.11 0.00 0.00 0.01 0.00 0.00 72.50 69.26 1nji s THR 47 CO -0.02 -0.37 0.00 0.61 -0.69 0.00 0.00 174.62 174.15 1nji n GLY 48 N -0.57 0.92 3.59 4.40 0.00 -0.01 -4.87 105.19 108.64 1nji n GLY 48 Ca 0.10 -2.18 -0.43 0.00 0.00 0.00 0.00 46.02 43.52 1nji n GLY 48 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1nji s ARG 49 N -0.99 3.70 0.35 1.61 3.52 -1.26 -3.01 118.95 122.88 1nji s ARG 49 Ca 0.00 0.44 0.17 0.00 -0.13 0.00 0.00 55.73 56.20 1nji s ARG 49 Cb 0.00 -3.88 1.16 0.00 -1.56 0.00 0.00 34.95 30.67 1nji s ARG 49 CO 0.00 -1.17 1.65 1.49 -0.81 0.00 0.00 175.30 176.46 1nji h GLU 50 N 8.89 0.24 -0.03 5.12 4.81 -1.94 -0.53 114.58 131.15 1nji h GLU 50 Ca -0.23 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 58.98 1nji h GLU 50 Cb 1.07 -0.05 -0.00 0.00 0.63 0.00 0.00 28.75 30.39 1nji h GLU 50 CO 1.04 0.16 0.01 0.93 -0.73 0.00 0.00 179.01 180.43 1nji h GLU 51 N 0.25 0.03 -0.20 1.92 3.07 -2.00 -0.84 114.58 116.82 1nji h GLU 51 Ca 0.76 -0.00 -0.11 0.00 -0.50 0.00 0.00 59.36 59.51 1nji h GLU 51 Cb 1.83 -0.01 -0.00 0.00 -0.84 0.00 0.00 28.75 29.73 1nji h GLU 51 CO -0.63 0.02 -0.31 -0.56 -1.40 0.00 0.00 179.01 176.13 1nji h GLN 52 N 0.03 0.56 0.02 2.33 -0.00 -1.55 -2.49 115.11 114.01 1nji h GLN 52 Ca 0.01 -0.34 0.03 0.00 -0.00 0.00 0.00 58.65 58.35 1nji h GLN 52 Cb -0.00 0.03 -0.05 0.00 -0.00 0.00 0.00 27.48 27.46 1nji h GLN 52 CO -0.01 0.94 -0.45 0.82 -0.00 0.00 0.00 178.83 180.13 1nji h ILE 53 N 0.23 0.11 -0.99 1.86 2.04 -1.22 -1.33 117.51 118.21 1nji h ILE 53 Ca 0.02 0.00 0.15 0.00 1.00 0.00 0.00 64.86 66.02 1nji h ILE 53 Cb 0.89 0.11 -0.09 0.00 -0.74 0.00 0.00 36.82 36.99 1nji h ILE 53 CO 0.07 0.00 0.62 0.58 0.00 0.00 0.00 178.15 179.42 1nji h VAL 54 N -0.62 0.84 -0.98 1.67 2.07 -1.17 -1.24 116.25 116.81 1nji h VAL 54 Ca 0.03 -0.30 0.05 0.00 0.82 0.00 0.00 66.70 67.30 1nji h VAL 54 Cb 0.68 -0.11 -0.06 0.00 -1.52 0.00 0.00 31.29 30.28 1nji h VAL 54 CO -0.32 0.16 0.64 -0.33 0.02 0.00 0.00 177.57 177.74 1nji h GLU 55 N 0.87 1.18 0.26 1.57 5.08 -0.78 0.19 114.58 122.95 1nji h GLU 55 Ca 0.52 -0.07 -0.01 0.00 -1.00 0.00 0.00 59.36 58.79 1nji h GLU 55 Cb 0.66 -0.27 0.00 0.00 0.50 0.00 0.00 28.75 29.65 1nji h GLU 55 CO -0.29 0.78 -0.12 -0.22 -1.00 0.00 0.00 179.01 178.15 1nji h LYS 56 N 1.21 -0.34 -0.40 2.33 3.64 -0.56 -1.51 116.57 120.95 1nji h LYS 56 Ca 0.40 0.02 -0.08 0.00 -1.27 0.00 0.00 60.65 59.73 1nji h LYS 56 Cb 0.06 0.08 -0.02 0.00 -0.41 0.00 0.00 32.23 31.93 1nji h LYS 56 CO -0.13 -0.12 -0.08 1.88 -2.27 0.00 0.00 179.45 178.73 1nji h TYR 57 N -0.50 0.73 -0.35 1.91 -1.99 -1.28 -2.04 116.97 113.45 1nji h TYR 57 Ca -0.04 -0.11 -0.05 0.00 2.00 0.00 0.00 58.73 60.53 1nji h TYR 57 Cb 0.37 -0.19 -0.02 0.00 2.00 0.00 0.00 36.73 38.89 1nji h TYR 57 CO -0.02 0.73 0.01 0.93 -0.00 0.00 0.00 178.16 179.81 1nji h GLU 58 N 0.62 0.54 -0.31 4.88 5.08 -0.52 -2.15 114.58 122.73 1nji h GLU 58 Ca 0.12 -0.11 -0.03 0.00 -1.00 0.00 0.00 59.36 58.33 1nji h GLU 58 Cb 0.50 -0.08 -0.01 0.00 0.50 0.00 0.00 28.75 29.66 1nji h GLU 58 CO 0.03 0.56 0.09 -0.22 -1.00 0.00 0.00 179.01 178.47 1nji h LYS 59 N 0.52 0.48 -0.39 2.33 1.63 -0.63 -2.00 116.57 118.52 1nji h LYS 59 Ca 0.11 -0.11 0.03 0.00 -0.85 0.00 0.00 60.65 59.83 1nji h LYS 59 Cb 0.33 -0.07 -0.02 0.00 -0.60 0.00 0.00 32.23 31.87 1nji h LYS 59 CO 0.01 0.54 0.26 0.00 -3.45 0.00 0.00 179.45 176.81 1nji h ARG 60 N 0.34 0.40 -0.21 1.90 3.08 -0.96 0.88 114.38 119.80 1nji h ARG 60 Ca 0.10 -0.02 -0.09 0.00 0.07 0.00 0.00 59.98 60.04 1nji h ARG 60 Cb 0.26 -0.09 -0.00 0.00 0.08 0.00 0.00 29.97 30.22 1nji h ARG 60 CO -0.00 0.26 -0.21 0.28 -1.07 0.00 0.00 179.97 179.23 1nji h VAL 61 N 0.41 1.33 -0.23 2.04 2.07 -0.90 -3.23 116.25 117.73 1nji h VAL 61 Ca 0.16 -1.38 -0.10 0.00 0.82 0.00 0.00 66.70 66.20 1nji h VAL 61 Cb 0.12 1.74 -0.01 0.00 -1.52 0.00 0.00 31.29 31.62 1nji h VAL 61 CO -0.04 0.42 -0.29 0.44 0.02 0.00 0.00 177.57 178.12 1nji h ASP 62 N 0.20 0.46 -3.61 0.57 3.32 -0.56 -3.44 116.42 113.35 1nji h ASP 62 Ca 0.03 -0.16 -0.56 0.00 0.02 0.00 0.00 57.03 56.36 1nji h ASP 62 Cb 0.76 -0.12 0.18 0.00 0.22 0.00 0.00 39.33 40.36 1nji h ASP 62 CO 0.05 0.73 -0.00 -0.38 -1.72 0.00 0.00 179.24 177.92 1nji n ILE 63 N -4.10 2.76 0.00 0.35 5.41 0.20 -4.92 119.36 119.06 1nji n ILE 63 Ca -0.01 -0.40 0.00 0.00 1.00 0.00 0.00 62.75 63.34 1nji n ILE 63 Cb 0.43 -1.03 0.00 0.00 -0.71 0.00 0.00 39.64 38.33 1nji n ILE 63 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 1nji n GLY 64 N 1.25 0.64 0.00 7.39 0.00 -1.26 -4.68 105.19 108.54 1nji n GLY 64 Ca 0.13 -1.78 0.00 0.00 0.00 0.00 0.00 46.02 44.37 1nji n GLY 64 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1nji n ASN 65 N 0.00 0.00 -0.34 1.61 0.23 -1.26 -4.92 115.26 110.59 1nji n ASN 65 Ca 0.00 -0.46 -0.04 0.00 -0.53 0.00 0.00 54.58 53.55 1nji n ASN 65 Cb 0.00 0.00 0.09 0.00 -2.08 0.00 0.00 39.78 37.79 1nji n ASN 65 CO 0.00 0.00 0.00 0.44 -0.93 0.00 0.00 177.26 176.77 1nji h ASP 66 N 0.00 1.10 -0.26 0.53 3.32 -2.05 -1.24 116.42 117.82 1nji h ASP 66 Ca 0.00 -0.08 -0.07 0.00 0.02 0.00 0.00 57.03 56.90 1nji h ASP 66 Cb 0.00 -0.28 -0.02 0.00 0.22 0.00 0.00 39.33 39.25 1nji h ASP 66 CO 0.00 0.86 -0.07 -1.13 -1.72 0.00 0.00 179.24 177.18 1nji h ASN 67 N 1.25 0.62 -4.52 6.45 -0.73 -2.05 -3.48 115.58 113.10 1nji h ASN 67 Ca 0.32 -0.15 0.00 0.00 1.87 0.00 0.00 56.30 58.34 1nji h ASN 67 Cb -0.02 -0.16 0.00 0.00 0.27 0.00 0.00 38.32 38.40 1nji h ASN 67 CO -0.06 0.73 0.00 0.61 -0.37 0.00 0.00 177.43 178.34 1nji n GLY 68 N -0.64 -0.15 2.53 1.57 0.00 -0.47 -4.99 105.19 103.04 1nji n GLY 68 Ca 0.01 -1.56 -0.20 0.00 0.00 0.00 0.00 46.02 44.27 1nji n GLY 68 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1nji s TYR 69 N -2.96 0.23 -0.62 1.61 5.04 -1.26 -4.78 117.35 114.61 1nji s TYR 69 Ca 0.00 -1.70 -0.27 0.00 -2.44 0.00 0.00 57.07 52.67 1nji s TYR 69 Cb 0.00 -0.54 -0.01 0.00 0.35 0.00 0.00 41.96 41.76 1nji s TYR 69 CO 0.00 -0.96 1.67 0.12 -1.34 0.00 0.00 175.55 175.04 1nji s PHE 70 N 0.45 1.89 -0.16 4.97 5.36 -1.26 -4.77 117.98 124.45 1nji s PHE 70 Ca 0.30 0.55 -0.04 0.00 -0.96 0.00 0.00 56.93 56.79 1nji s PHE 70 Cb -0.00 -4.25 -0.03 0.00 -0.34 0.00 0.00 43.02 38.40 1nji s PHE 70 CO -0.14 -2.25 -0.04 -0.47 -1.46 0.00 0.00 175.22 170.87 1nji s TYR 71 N 7.82 3.01 0.54 10.12 5.04 -1.26 -5.09 117.35 137.53 1nji s TYR 71 Ca 0.59 -0.37 -0.21 0.00 -2.44 0.00 0.00 57.07 54.64 1nji s TYR 71 Cb -0.12 -1.97 -0.05 0.00 0.35 0.00 0.00 41.96 40.17 1nji s TYR 71 CO 0.21 -0.10 1.26 -1.25 -1.34 0.00 0.00 175.55 174.33 1nji s PRO 72 N 0.49 3.22 -0.04 4.97 0.04 -1.26 -4.89 135.00 137.53 1nji s PRO 72 Ca -0.03 1.98 0.08 0.00 0.04 0.00 0.00 61.00 63.06 1nji s PRO 72 Cb -0.14 -2.17 -0.12 0.00 0.04 0.00 0.00 34.50 32.10 1nji s PRO 72 CO 0.03 -1.04 0.11 1.63 0.04 0.00 0.00 177.00 177.77 1nji n LYS 73 N -1.10 1.40 -2.62 4.56 5.02 -1.26 -4.59 118.16 119.57 1nji n LYS 73 Ca 0.11 -0.04 -0.37 0.00 -2.02 0.00 0.00 58.31 55.99 1nji n LYS 73 Cb 0.47 -1.21 -0.05 0.00 -0.02 0.00 0.00 35.03 34.23 1nji n LYS 73 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 1nji s ARG 74 N -2.41 4.34 0.56 1.97 1.81 -1.26 -4.18 118.95 119.78 1nji s ARG 74 Ca -0.04 1.47 0.38 0.00 -1.72 0.00 0.00 55.73 55.83 1nji s ARG 74 Cb 0.04 -2.68 2.06 0.00 -0.45 0.00 0.00 34.95 33.92 1nji s ARG 74 CO 0.35 0.03 2.16 -1.00 -0.68 0.00 0.00 175.30 176.15 1nji h PRO 75 N 2.82 0.00 0.00 3.54 0.13 -1.93 -1.77 132.00 134.78 1nji h PRO 75 Ca -0.48 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.65 1nji h PRO 75 Cb 1.21 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.34 1nji h PRO 75 CO 0.64 0.00 0.00 -3.47 -0.23 0.00 0.00 178.00 174.94 1nji n ASP 76 N -2.83 0.00 -0.11 1.44 -0.08 -1.26 -2.77 116.55 110.94 1nji n ASP 76 Ca -0.03 0.85 -0.09 0.00 -1.51 0.00 0.00 54.79 54.01 1nji n ASP 76 Cb 0.06 -0.35 -0.02 0.00 2.34 0.00 0.00 41.12 43.16 1nji n ASP 76 CO 0.00 0.00 0.00 1.23 0.12 0.00 0.00 177.20 178.55 1nji h GLY 77 N 0.00 0.55 -0.93 0.27 0.00 -1.86 -2.83 103.07 98.27 1nji h GLY 77 Ca 0.00 -0.30 0.17 0.00 0.00 0.00 0.00 47.33 47.20 1nji h GLY 77 CO 0.00 0.29 -0.31 -2.22 0.00 0.00 0.00 176.54 174.29 1nji h ILE 78 N 0.41 0.03 -0.62 2.60 1.08 -1.43 1.08 117.51 120.66 1nji h ILE 78 Ca 0.11 0.00 -0.08 0.00 -0.39 0.00 0.00 64.86 64.50 1nji h ILE 78 Cb 0.19 0.03 -0.02 0.00 -3.07 0.00 0.00 36.82 33.94 1nji h ILE 78 CO -0.01 0.00 0.06 0.15 -0.69 0.00 0.00 178.15 177.66 1nji h PHE 79 N -0.01 1.12 -0.37 1.37 -0.00 -1.43 -1.11 116.94 116.52 1nji h PHE 79 Ca 0.40 -0.17 -0.08 0.00 -0.00 0.00 0.00 57.97 58.12 1nji h PHE 79 Cb 0.65 -0.30 -0.01 0.00 -0.00 0.00 0.00 35.95 36.28 1nji h PHE 79 CO -0.80 0.97 -0.07 -0.22 -0.00 0.00 0.00 178.31 178.19 1nji h LYS 80 N 0.95 0.70 -0.73 1.11 3.64 0.82 -2.09 116.57 120.98 1nji h LYS 80 Ca 0.18 -0.26 0.02 0.00 -1.27 0.00 0.00 60.65 59.32 1nji h LYS 80 Cb 0.48 -0.05 -0.04 0.00 -0.41 0.00 0.00 32.23 32.22 1nji h LYS 80 CO 0.02 0.84 0.48 -0.09 -2.27 0.00 0.00 179.45 178.44 1nji h ARG 81 N 0.51 0.93 -0.66 1.90 9.65 0.96 0.69 114.38 128.36 1nji h ARG 81 Ca 0.10 -0.06 0.03 0.00 -1.10 0.00 0.00 59.98 58.95 1nji h ARG 81 Cb 0.57 -0.21 -0.04 0.00 -1.39 0.00 0.00 29.97 28.90 1nji h ARG 81 CO 0.03 0.62 0.41 1.15 2.80 0.00 0.00 179.97 184.98 1nji h THR 82 N 0.96 1.09 -0.26 0.20 2.02 -0.84 -1.91 112.91 114.17 1nji h THR 82 Ca 0.28 -0.28 -0.05 0.00 0.77 0.00 0.00 66.41 67.13 1nji h THR 82 Cb -0.06 0.21 -0.01 0.00 -1.74 0.00 0.00 68.15 66.54 1nji h THR 82 CO -0.07 0.15 -0.03 0.40 0.37 0.00 0.00 175.52 176.34 1nji h ILE 83 N 0.81 1.27 -0.71 3.11 2.04 -0.42 -2.77 117.51 120.83 1nji h ILE 83 Ca 0.27 -1.00 0.19 0.00 1.00 0.00 0.00 64.86 65.32 1nji h ILE 83 Cb 0.02 1.40 -0.04 0.00 -0.74 0.00 0.00 36.82 37.46 1nji h ILE 83 CO -0.10 0.31 0.50 -0.09 0.00 0.00 0.00 178.15 178.77 1nji h ARG 84 N 0.24 0.13 0.00 2.37 2.43 -0.46 0.36 114.38 119.45 1nji h ARG 84 Ca 0.07 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.23 1nji h ARG 84 Cb 0.48 -0.03 0.00 0.00 -0.42 0.00 0.00 29.97 30.00 1nji h ARG 84 CO 0.02 0.09 0.00 0.41 -1.51 0.00 0.00 179.97 178.98 1nji n GLY 85 N -1.62 -1.15 0.98 2.80 0.00 -0.76 -2.15 105.19 103.30 1nji n GLY 85 Ca 0.14 -0.04 0.08 0.00 0.00 0.00 0.00 46.02 46.20 1nji n GLY 85 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1nji n MET 86 N -1.62 3.08 -4.14 1.61 2.81 0.13 -4.95 117.12 114.03 1nji n MET 86 Ca 0.04 -2.48 -0.16 0.00 -1.81 0.00 0.00 57.70 53.29 1nji n MET 86 Cb 0.22 -1.57 -0.12 0.00 -0.71 0.00 0.00 33.22 31.03 1nji n MET 86 CO 0.00 0.00 0.00 -0.51 1.51 0.00 0.00 175.97 176.97 1nji s LEU 87 N -1.61 2.23 -1.48 4.03 1.43 -0.91 -4.88 118.68 117.49 1nji s LEU 87 Ca 0.36 -0.52 -0.11 0.00 -1.03 0.00 0.00 54.13 52.84 1nji s LEU 87 Cb 0.23 -0.34 0.02 0.00 0.03 0.00 0.00 46.19 46.14 1nji s LEU 87 CO 0.18 -0.11 2.47 -0.81 0.23 0.00 0.00 176.35 178.31 1nji n PRO 88 N 1.59 3.50 0.00 1.29 -0.04 -1.26 -4.76 135.00 135.33 1nji n PRO 88 Ca -0.21 -2.70 0.00 0.00 -0.04 0.00 0.00 63.50 60.55 1nji n PRO 88 Cb 0.55 -2.97 0.00 0.00 -0.04 0.00 0.00 33.50 31.03 1nji n PRO 88 CO 0.00 0.00 0.00 -2.39 -0.04 0.00 0.00 175.50 173.07 1nji n HIS 89 N 4.28 0.00 0.91 0.54 1.44 -1.26 -1.31 115.22 119.82 1nji n HIS 89 Ca 0.61 0.00 0.09 0.00 -2.01 0.00 0.00 57.72 56.42 1nji n HIS 89 Cb 0.31 -0.22 -0.11 0.00 0.12 0.00 0.00 29.99 30.10 1nji n HIS 89 CO 0.00 0.00 0.00 1.63 -2.81 0.00 0.00 176.34 175.16 1nji n LYS 90 N -1.18 0.62 -3.19 -1.40 5.02 -1.26 -3.92 118.16 112.85 1nji n LYS 90 Ca 0.00 -0.04 -0.27 0.00 -2.02 0.00 0.00 58.31 55.98 1nji n LYS 90 Cb 0.05 -1.41 -0.02 0.00 -0.02 0.00 0.00 35.03 33.62 1nji n LYS 90 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 1nji s LYS 91 N -2.81 3.59 0.09 1.97 1.02 -0.43 -4.93 119.74 118.25 1nji s LYS 91 Ca 0.08 -0.01 -0.33 0.00 0.02 0.00 0.00 55.97 55.72 1nji s LYS 91 Cb 0.15 -2.59 -0.14 0.00 -0.52 0.00 0.00 37.83 34.73 1nji s LYS 91 CO 0.79 0.11 1.58 0.37 -0.92 0.00 0.00 175.35 177.28 1nji h GLN 92 N 1.17 -0.81 -0.56 1.68 4.15 -1.91 -0.37 115.11 118.45 1nji h GLN 92 Ca -0.48 0.06 0.11 0.00 0.77 0.00 0.00 58.65 59.11 1nji h GLN 92 Cb 1.20 0.18 -0.09 0.00 0.21 0.00 0.00 27.48 28.98 1nji h GLN 92 CO 0.64 -0.54 0.03 -0.09 -1.93 0.00 0.00 178.83 176.93 1nji h ARG 93 N -0.84 0.14 -0.53 1.69 2.43 -1.95 -0.33 114.38 114.99 1nji h ARG 93 Ca -0.03 -0.01 -0.01 0.00 -0.81 0.00 0.00 59.98 59.12 1nji h ARG 93 Cb 0.77 -0.03 -0.02 0.00 -0.42 0.00 0.00 29.97 30.26 1nji h ARG 93 CO -0.11 0.09 0.28 0.78 -1.51 0.00 0.00 179.97 179.51 1nji h GLY 94 N 0.14 0.79 1.80 2.80 0.00 -1.57 -1.07 103.07 105.97 1nji h GLY 94 Ca 0.29 -0.37 -0.10 0.00 0.00 0.00 0.00 47.33 47.15 1nji h GLY 94 CO -0.45 0.35 -0.37 -0.09 0.00 0.00 0.00 176.54 175.98 1nji h ARG 95 N 0.70 0.22 -0.09 4.80 2.43 -0.48 -1.09 114.38 120.87 1nji h ARG 95 Ca 0.18 -0.10 -0.01 0.00 -0.81 0.00 0.00 59.98 59.25 1nji h ARG 95 Cb 0.06 -0.01 -0.00 0.00 -0.42 0.00 0.00 29.97 29.60 1nji h ARG 95 CO -0.03 0.57 0.02 0.93 -1.51 0.00 0.00 179.97 179.95 1nji h GLU 96 N 0.19 0.15 0.19 0.20 5.08 -0.63 -1.44 114.58 118.32 1nji h GLU 96 Ca 0.02 -0.04 -0.01 0.00 -1.00 0.00 0.00 59.36 58.33 1nji h GLU 96 Cb 0.75 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.99 1nji h GLU 96 CO 0.06 0.35 -0.09 0.00 -1.00 0.00 0.00 179.01 178.32 1nji h ALA 97 N 0.79 -0.26 -0.87 3.43 0.00 -0.97 -2.32 119.26 119.07 1nji h ALA 97 Ca 0.03 -0.07 0.14 0.00 0.00 0.00 0.00 54.91 55.01 1nji h ALA 97 Cb 0.27 0.10 -0.09 0.00 0.00 0.00 0.00 17.79 18.07 1nji h ALA 97 CO 0.00 -0.63 0.46 0.35 0.00 0.00 0.00 179.25 179.43 1nji h PHE 98 N -0.28 0.82 0.00 0.00 3.57 -1.19 0.73 116.94 120.59 1nji h PHE 98 Ca -0.03 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.51 1nji h PHE 98 Cb 0.22 -0.23 0.00 0.00 2.79 0.00 0.00 35.95 38.72 1nji h PHE 98 CO -0.06 0.21 0.00 0.93 -2.23 0.00 0.00 178.31 177.17 1nji h GLU 99 N 0.67 0.00 -0.67 1.11 5.08 -1.02 -2.25 114.58 117.50 1nji h GLU 99 Ca 0.47 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.81 1nji h GLU 99 Cb 0.64 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.88 1nji h GLU 99 CO -0.35 0.00 0.02 -1.13 -1.00 0.00 0.00 179.01 176.55 1nji n SER 100 N -2.45 4.88 -4.02 1.42 3.41 0.24 -4.82 113.62 112.29 1nji n SER 100 Ca 0.03 -2.80 -0.24 0.00 -0.26 0.00 0.00 58.87 55.60 1nji n SER 100 Cb 0.30 -0.66 -0.16 0.00 -0.26 0.00 0.00 64.21 63.42 1nji n SER 100 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 1nji s VAL 101 N -2.47 1.05 -0.01 -3.33 1.01 -0.85 -1.66 120.40 114.14 1nji s VAL 101 Ca 0.45 -0.44 0.00 0.00 0.00 0.00 0.00 61.98 61.99 1nji s VAL 101 Cb 0.35 -0.96 0.01 0.00 0.00 0.00 0.00 36.38 35.78 1nji s VAL 101 CO 0.13 0.33 0.00 -0.13 0.00 0.00 0.00 175.10 175.43 1nji s ARG 102 N 0.58 0.05 0.04 2.72 0.52 -0.77 -4.97 118.95 117.12 1nji s ARG 102 Ca -0.12 0.03 0.00 0.00 -0.52 0.00 0.00 55.73 55.12 1nji s ARG 102 Cb -0.14 -0.12 -0.04 0.00 0.52 0.00 0.00 34.95 35.17 1nji s ARG 102 CO 0.03 -0.04 0.14 0.08 0.02 0.00 0.00 175.30 175.54 1nji s VAL 103 N 0.29 5.04 0.03 3.52 1.01 -1.26 -1.31 120.40 127.72 1nji s VAL 103 Ca -0.02 -0.45 0.03 0.00 0.00 0.00 0.00 61.98 61.53 1nji s VAL 103 Cb -0.04 -3.40 -0.02 0.00 0.00 0.00 0.00 36.38 32.92 1nji s VAL 103 CO -0.01 0.21 -0.08 -0.31 0.00 0.00 0.00 175.10 174.91 1nji s TYR 104 N -1.38 0.74 -0.11 5.22 1.51 0.91 -4.91 117.35 119.34 1nji s TYR 104 Ca 0.30 -0.34 -0.26 0.00 -1.01 0.00 0.00 57.07 55.76 1nji s TYR 104 Cb -0.13 -0.45 -0.02 0.00 -0.11 0.00 0.00 41.96 41.25 1nji s TYR 104 CO 0.22 -0.03 0.83 -0.51 -1.11 0.00 0.00 175.55 174.94 1nji s LEU 105 N -1.03 4.26 0.00 -1.29 1.43 -1.26 -1.72 118.68 119.06 1nji s LEU 105 Ca -0.04 1.28 0.00 0.00 -1.03 0.00 0.00 54.13 54.34 1nji s LEU 105 Cb -0.07 -3.26 0.00 0.00 0.03 0.00 0.00 46.19 42.89 1nji s LEU 105 CO 0.00 -0.29 0.00 0.61 0.23 0.00 0.00 176.35 176.90 1nji n GLY 106 N 3.24 0.03 2.68 -3.19 0.00 -1.26 -4.66 105.19 102.02 1nji n GLY 106 Ca 0.03 -0.96 -0.29 0.00 0.00 0.00 0.00 46.02 44.80 1nji n GLY 106 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1nji s ASN 107 N -4.00 3.66 0.00 1.61 3.04 -1.26 0.51 114.94 118.50 1nji s ASN 107 Ca 0.00 -1.37 0.26 0.00 0.04 0.00 0.00 52.86 51.78 1nji s ASN 107 Cb 0.00 -0.66 1.53 0.00 -1.54 0.00 0.00 41.25 40.58 1nji s ASN 107 CO 0.00 -0.40 1.94 -0.81 -3.04 0.00 0.00 177.10 174.79 1nji n PRO 108 N 5.00 0.91 -2.87 0.43 -0.04 -1.26 -4.83 135.00 132.34 1nji n PRO 108 Ca -0.05 0.00 -0.19 0.00 -0.04 0.00 0.00 63.50 63.23 1nji n PRO 108 Cb 0.43 -1.44 0.03 0.00 -0.04 0.00 0.00 33.50 32.48 1nji n PRO 108 CO 0.00 0.00 0.00 0.71 -0.04 0.00 0.00 175.50 176.17 1nji s TYR 109 N -2.00 2.67 -0.20 0.54 1.51 -1.26 -5.04 117.35 113.57 1nji s TYR 109 Ca 0.39 -0.30 -0.22 0.00 -1.01 0.00 0.00 57.07 55.93 1nji s TYR 109 Cb 0.18 -2.51 -0.20 0.00 -0.11 0.00 0.00 41.96 39.31 1nji s TYR 109 CO 0.30 -0.68 0.30 -0.44 -1.11 0.00 0.00 175.55 173.92 1nji h ASP 110 N 0.37 0.01 -4.18 2.29 3.32 -2.06 -3.47 116.42 112.71 1nji h ASP 110 Ca -0.40 -0.59 -0.54 0.00 0.02 0.00 0.00 57.03 55.52 1nji h ASP 110 Cb 1.29 -0.00 0.17 0.00 0.22 0.00 0.00 39.33 41.00 1nji h ASP 110 CO 0.47 1.43 0.38 -1.61 -1.72 0.00 0.00 179.24 178.19 1nji s GLU 111 N -2.35 1.98 -0.15 3.56 2.02 -1.26 -4.98 118.70 117.53 1nji s GLU 111 Ca -0.27 1.78 -0.15 0.00 0.02 0.00 0.00 54.97 56.35 1nji s GLU 111 Cb 0.05 -1.81 -0.05 0.00 0.10 0.00 0.00 34.13 32.42 1nji s GLU 111 CO 0.61 -1.96 0.35 -0.51 0.02 0.00 0.00 175.26 173.76 1nji s ASP 112 N -2.04 6.51 1.12 -0.19 1.11 -1.26 -5.03 116.67 116.89 1nji s ASP 112 Ca 0.74 0.60 -0.12 0.00 0.18 0.00 0.00 52.55 53.95 1nji s ASP 112 Cb -0.30 -2.21 0.26 0.00 1.07 0.00 0.00 42.92 41.74 1nji s ASP 112 CO 0.47 0.08 1.05 -0.83 1.18 0.00 0.00 175.17 177.11 1nji s GLY 113 N 0.49 1.57 0.29 0.21 0.00 -1.26 -5.01 107.32 103.60 1nji s GLY 113 Ca 0.19 0.01 0.02 0.00 0.00 0.00 0.00 44.72 44.95 1nji s GLY 113 CO 0.06 0.68 0.45 -1.83 0.00 0.00 0.00 173.10 172.46 1nji s GLU 114 N -4.49 3.47 -0.25 2.90 -1.05 0.89 -4.51 118.70 115.65 1nji s GLU 114 Ca 0.68 -0.50 -0.10 0.00 -0.15 0.00 0.00 54.97 54.90 1nji s GLU 114 Cb -0.25 -2.77 -0.04 0.00 -0.44 0.00 0.00 34.13 30.63 1nji s GLU 114 CO 0.63 0.29 0.14 0.08 0.95 0.00 0.00 175.26 177.35 1nji s VAL 115 N -2.13 5.02 0.40 1.83 1.01 -1.26 -1.28 120.40 124.00 1nji s VAL 115 Ca 0.37 0.07 -0.24 0.00 0.00 0.00 0.00 61.98 62.17 1nji s VAL 115 Cb -0.10 -3.35 -0.09 0.00 0.00 0.00 0.00 36.38 32.85 1nji s VAL 115 CO 0.32 0.32 1.11 -0.76 0.00 0.00 0.00 175.10 176.09 1nji s LEU 116 N 1.40 4.16 0.33 3.92 1.43 -1.26 -4.97 118.68 123.68 1nji s LEU 116 Ca 0.06 2.19 -0.29 0.00 -1.03 0.00 0.00 54.13 55.06 1nji s LEU 116 Cb -0.15 -4.12 -0.11 0.00 0.03 0.00 0.00 46.19 41.85 1nji s LEU 116 CO 0.06 -0.60 1.50 -1.81 0.23 0.00 0.00 176.35 175.73 1nji s ASP 117 N -1.36 6.43 -1.30 2.29 1.01 -1.26 -3.17 116.67 119.31 1nji s ASP 117 Ca 0.58 2.94 0.00 0.00 0.71 0.00 0.00 52.55 56.77 1nji s ASP 117 Cb -0.26 -2.65 0.00 0.00 1.01 0.00 0.00 42.92 41.02 1nji s ASP 117 CO 0.33 -0.83 0.00 0.61 0.21 0.00 0.00 175.17 175.49 1nji n GLY 118 N 1.25 0.69 0.00 0.21 0.00 -1.26 -4.86 105.19 101.22 1nji n GLY 118 Ca 0.04 -0.36 0.01 0.00 0.00 0.00 0.00 46.02 45.70 1nji n GLY 118 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1nji n THR 119 N -3.25 0.00 -2.61 2.61 -2.24 -1.19 -4.96 114.28 102.64 1nji n THR 119 Ca -0.15 -0.27 -0.39 0.00 -2.27 0.00 0.00 64.05 60.97 1nji n THR 119 Cb 0.52 0.76 -0.05 0.00 -2.10 0.00 0.00 70.33 69.46 1nji n THR 119 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 1nji s SER 120 N -1.57 7.28 -0.12 3.42 0.15 -1.26 0.23 113.70 121.83 1nji s SER 120 Ca 0.00 2.06 -0.01 0.00 0.70 0.00 0.00 55.95 58.70 1nji s SER 120 Cb 0.01 -2.61 -0.03 0.00 -1.71 0.00 0.00 66.02 61.69 1nji s SER 120 CO 0.05 -0.12 -0.07 -0.22 1.20 0.00 0.00 173.24 174.08 1nji s LEU 121 N -1.72 3.13 -0.55 3.45 2.96 0.23 -4.85 118.68 121.32 1nji s LEU 121 Ca 0.47 -0.12 -0.24 0.00 -0.22 0.00 0.00 54.13 54.02 1nji s LEU 121 Cb -0.26 -1.72 0.04 0.00 0.50 0.00 0.00 46.19 44.76 1nji s LEU 121 CO 0.33 0.24 0.92 -0.62 -1.32 0.00 0.00 176.35 175.90 1nji s ASP 122 N -0.09 6.32 0.55 3.68 -1.08 -1.26 -4.89 116.67 119.91 1nji s ASP 122 Ca 0.01 -0.42 0.25 0.00 -0.52 0.00 0.00 52.55 51.87 1nji s ASP 122 Cb -0.13 -2.42 1.49 0.00 -1.46 0.00 0.00 42.92 40.39 1nji s ASP 122 CO 0.03 -1.21 2.07 0.03 0.52 0.00 0.00 175.17 176.60 1nji h ARG 123 N 9.30 0.00 0.00 4.34 3.08 -1.95 -1.67 114.38 127.48 1nji h ARG 123 Ca -0.26 0.00 -0.06 0.00 0.07 0.00 0.00 59.98 59.72 1nji h ARG 123 Cb 1.07 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 31.12 1nji h ARG 123 CO 1.08 0.00 -0.30 -0.07 -1.07 0.00 0.00 179.97 179.61 1nji h LEU 124 N 0.00 0.00 -3.11 3.04 3.38 -2.06 -3.14 115.31 113.42 1nji h LEU 124 Ca 0.13 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.10 1nji h LEU 124 Cb 0.60 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.35 1nji h LEU 124 CO -0.00 0.30 0.00 -1.54 0.09 0.00 0.00 178.44 177.29 1nji n SER 125 N -3.54 3.04 -3.70 -0.43 3.41 -0.67 -4.98 113.62 106.76 1nji n SER 125 Ca -0.00 -2.99 -0.14 0.00 -0.26 0.00 0.00 58.87 55.48 1nji n SER 125 Cb 0.45 -0.46 -0.14 0.00 -0.26 0.00 0.00 64.21 63.80 1nji n SER 125 CO 0.00 0.00 0.00 0.20 -0.16 0.00 0.00 175.04 175.08 1nji s ASN 126 N -2.33 0.21 -0.01 4.04 0.01 -0.97 -5.00 114.94 110.88 1nji s ASN 126 Ca 0.35 0.41 0.03 0.00 -0.71 0.00 0.00 52.86 52.94 1nji s ASN 126 Cb 0.29 0.36 -0.04 0.00 0.41 0.00 0.00 41.25 42.27 1nji s ASN 126 CO 0.06 -0.20 0.05 -0.38 -1.51 0.00 0.00 177.10 175.12 1nji n ILE 127 N 4.78 0.04 -3.32 0.60 5.41 -1.26 -4.71 119.36 120.90 1nji n ILE 127 Ca -0.16 -0.08 -0.46 0.00 1.00 0.00 0.00 62.75 63.05 1nji n ILE 127 Cb 0.51 0.10 -0.02 0.00 -0.71 0.00 0.00 39.64 39.52 1nji n ILE 127 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 176.55 176.01 1nji s LYS 128 N -2.16 3.76 0.22 0.38 1.02 -1.26 -4.96 119.74 116.74 1nji s LYS 128 Ca -0.01 -2.65 -0.23 0.00 0.02 0.00 0.00 55.97 53.11 1nji s LYS 128 Cb 0.02 -4.47 0.04 0.00 -0.52 0.00 0.00 37.83 32.89 1nji s LYS 128 CO 0.11 -1.29 0.80 -0.59 -0.92 0.00 0.00 175.35 173.47 1nji s PHE 129 N -0.16 -0.19 0.03 3.18 -0.12 -1.16 -0.83 117.98 118.73 1nji s PHE 129 Ca 0.22 -0.20 -0.01 0.00 -0.05 0.00 0.00 56.93 56.89 1nji s PHE 129 Cb -0.10 0.68 -0.03 0.00 -0.63 0.00 0.00 43.02 42.94 1nji s PHE 129 CO -0.09 -1.06 -0.03 0.08 -0.05 0.00 0.00 175.22 174.07 1nji s VAL 130 N -3.67 0.16 0.16 -2.49 1.01 -0.10 -4.84 120.40 110.64 1nji s VAL 130 Ca 0.11 -1.31 -0.18 0.00 0.00 0.00 0.00 61.98 60.60 1nji s VAL 130 Cb -0.04 -0.83 -0.07 0.00 0.00 0.00 0.00 36.38 35.43 1nji s VAL 130 CO 0.04 -0.72 0.63 -0.89 0.00 0.00 0.00 175.10 174.16 1nji s THR 131 N -2.57 4.70 0.26 3.92 2.01 -1.26 -1.53 115.64 121.17 1nji s THR 131 Ca -0.06 1.12 -0.05 0.00 0.31 0.00 0.00 61.69 63.01 1nji s THR 131 Cb -0.02 -3.83 0.26 0.00 0.01 0.00 0.00 72.50 68.92 1nji s THR 131 CO -0.05 0.30 1.94 -0.07 -0.69 0.00 0.00 174.62 176.05 1nji h LEU 132 N 3.72 1.10 -0.69 4.42 3.38 -1.28 -1.73 115.31 124.22 1nji h LEU 132 Ca -0.48 -0.03 0.06 0.00 0.09 0.00 0.00 57.88 57.51 1nji h LEU 132 Cb 1.20 -0.27 -0.06 0.00 0.09 0.00 0.00 40.66 41.62 1nji h LEU 132 CO 0.65 0.80 0.39 1.23 0.09 0.00 0.00 178.44 181.60 1nji h GLY 133 N 1.29 1.02 0.96 0.83 0.00 -1.69 -0.23 103.07 105.25 1nji h GLY 133 Ca 0.35 -0.27 0.01 0.00 0.00 0.00 0.00 47.33 47.42 1nji h GLY 133 CO -0.07 0.16 0.20 0.83 0.00 0.00 0.00 176.54 177.66 1nji h GLU 134 N 0.71 0.41 -0.26 4.80 5.08 -1.62 -0.68 114.58 123.01 1nji h GLU 134 Ca 0.31 -0.02 0.05 0.00 -1.00 0.00 0.00 59.36 58.69 1nji h GLU 134 Cb 0.20 -0.09 -0.05 0.00 0.50 0.00 0.00 28.75 29.31 1nji h GLU 134 CO -0.19 0.27 -0.03 0.82 -1.00 0.00 0.00 179.01 178.88 1nji h ILE 135 N 0.42 0.78 -0.24 3.13 2.04 -0.60 -0.52 117.51 122.51 1nji h ILE 135 Ca 0.13 -0.01 -0.04 0.00 1.00 0.00 0.00 64.86 65.93 1nji h ILE 135 Cb -0.02 0.73 -0.01 0.00 -0.74 0.00 0.00 36.82 36.78 1nji h ILE 135 CO -0.05 0.01 -0.02 0.28 0.00 0.00 0.00 178.15 178.37 1nji h SER 136 N 0.04 0.34 -0.50 1.72 0.02 -0.76 0.16 113.55 114.57 1nji h SER 136 Ca 0.13 -0.05 -0.11 0.00 -0.84 0.00 0.00 61.79 60.91 1nji h SER 136 Cb 0.18 -0.09 -0.02 0.00 0.14 0.00 0.00 62.40 62.61 1nji h SER 136 CO -0.24 0.42 -0.12 -0.33 -1.14 0.00 0.00 176.83 175.42 1nji h GLU 137 N 0.36 0.99 -0.53 3.45 5.08 -0.18 0.21 114.58 123.96 1nji h GLU 137 Ca 0.08 -0.37 -0.09 0.00 -1.00 0.00 0.00 59.36 57.99 1nji h GLU 137 Cb 0.28 -0.06 -0.02 0.00 0.50 0.00 0.00 28.75 29.44 1nji h GLU 137 CO 0.01 1.04 -0.01 1.15 -1.00 0.00 0.00 179.01 180.20 1nji h THR 138 N 0.88 1.26 0.00 1.13 2.02 -0.19 -2.65 112.91 115.36 1nji h THR 138 Ca 0.14 -1.12 0.00 0.00 0.77 0.00 0.00 66.41 66.20 1nji h THR 138 Cb 0.68 0.93 0.00 0.00 -1.74 0.00 0.00 68.15 68.02 1nji h THR 138 CO 0.05 0.40 0.00 0.18 0.37 0.00 0.00 175.52 176.51 1nji n LEU 139 N -4.27 0.00 0.00 2.58 4.77 0.47 -4.85 117.00 115.69 1nji n LEU 139 Ca 0.01 0.41 0.00 0.00 -0.03 0.00 0.00 56.01 56.40 1nji n LEU 139 Cb 0.33 -0.41 0.00 0.00 -2.33 0.00 0.00 43.42 41.02 1nji n LEU 139 CO 0.43 -0.22 0.00 0.61 -1.33 0.00 0.00 177.39 176.88 1nji n GLY 140 N -0.11 0.53 3.46 -0.72 0.00 -0.91 -5.05 105.19 102.39 1nji n GLY 140 Ca 0.05 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.75 1nji n GLY 140 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1nji n ALA 141 N -1.67 -2.48 -2.66 4.61 0.00 0.70 -4.94 120.51 114.08 1nji n ALA 141 Ca 0.00 -0.80 -0.44 0.00 0.00 0.00 0.00 53.44 52.21 1nji n ALA 141 Cb 0.00 -1.87 -0.08 0.00 0.00 0.00 0.00 19.45 17.50 1nji n ALA 141 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.50 178.71 1nji s ASN 142 N -2.19 6.18 -0.88 0.00 3.84 -1.26 -4.72 114.94 115.91 1nji s ASN 142 Ca 0.61 -0.94 -0.24 0.00 0.21 0.00 0.00 52.86 52.50 1nji s ASN 142 Cb -0.20 -2.22 -0.19 0.00 -0.55 0.00 0.00 41.25 38.09 1nji s ASN 142 CO 0.65 -0.66 2.19 1.17 -2.79 0.00 0.00 177.10 177.65 1nji n LYS 143 N 5.58 0.29 -0.87 0.43 4.81 -1.26 -4.66 118.16 122.48 1nji n LYS 143 Ca -0.09 -1.10 -0.13 0.00 -0.87 0.00 0.00 58.31 56.12 1nji n LYS 143 Cb 0.46 -3.46 0.17 0.00 0.02 0.00 0.00 35.03 32.22 1nji n LYS 143 CO 0.00 0.00 0.00 -2.37 1.17 0.00 0.00 177.40 176.20 1nji n THR 144 N 8.45 2.54 -1.03 3.15 5.66 -1.26 -5.22 114.28 126.57 1nji n THR 144 Ca 0.43 -1.36 0.00 0.00 -3.05 0.00 0.00 64.05 60.07 1nji n THR 144 Cb 0.43 -0.55 0.00 0.00 -1.55 0.00 0.00 70.33 68.67 1nji n THR 144 CO 0.00 0.00 0.00 -2.67 -3.05 0.00 0.00 175.07 169.35