#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1nji n SER 2 N 0.00 0.40 -3.90 2.55 3.41 -1.26 -4.89 113.62 109.93 1nji n SER 2 Ca 0.00 -0.06 -0.09 0.00 -0.26 0.00 0.00 58.87 58.45 1nji n SER 2 Cb 0.00 0.08 -0.06 0.00 -0.26 0.00 0.00 64.21 63.97 1nji n SER 2 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 1nji s SER 3 N -3.06 -0.07 -0.18 4.04 1.04 -1.26 -5.09 113.70 109.13 1nji s SER 3 Ca 0.11 -0.76 0.16 0.00 0.48 0.00 0.00 55.95 55.95 1nji s SER 3 Cb 0.18 0.50 0.44 0.00 0.10 0.00 0.00 66.02 67.24 1nji s SER 3 CO 0.66 -0.97 1.18 -3.20 0.98 0.00 0.00 173.24 171.90 1nji n ASN 4 N -0.27 2.16 -4.84 7.02 5.15 -1.26 -4.95 115.26 118.27 1nji n ASN 4 Ca -0.07 -3.07 -0.30 0.00 -0.60 0.00 0.00 54.58 50.54 1nji n ASN 4 Cb 0.63 -0.42 0.08 0.00 -0.53 0.00 0.00 39.78 39.53 1nji n ASN 4 CO 0.00 0.00 0.00 -0.83 1.40 0.00 0.00 177.26 177.83 1nji s GLY 5 N -3.06 1.62 0.27 8.20 0.00 -1.26 -4.96 107.32 108.13 1nji s GLY 5 Ca 0.38 -0.32 -0.01 0.00 0.00 0.00 0.00 44.72 44.77 1nji s GLY 5 CO -0.07 0.10 1.81 -2.55 0.00 0.00 0.00 173.10 172.39 1nji h PRO 6 N -0.95 0.84 -0.56 2.90 0.11 -2.05 -2.09 132.00 130.21 1nji h PRO 6 Ca -0.46 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 65.60 1nji h PRO 6 Cb 1.27 -0.19 0.00 0.00 0.11 0.00 0.00 31.00 32.19 1nji h PRO 6 CO 0.62 0.56 0.00 1.28 -0.21 0.00 0.00 178.00 180.24 1nji n LEU 7 N -4.70 1.68 -4.68 2.35 4.77 -1.26 -4.68 117.00 110.47 1nji n LEU 7 Ca 0.17 -0.84 -0.42 0.00 -0.03 0.00 0.00 56.01 54.89 1nji n LEU 7 Cb 0.35 -0.35 -0.03 0.00 -2.33 0.00 0.00 43.42 41.07 1nji n LEU 7 CO 0.26 0.31 1.33 -0.70 -1.33 0.00 0.00 177.39 177.25 1nji s GLU 8 N -1.59 4.20 -1.04 3.23 -6.30 -0.79 -2.56 118.70 113.85 1nji s GLU 8 Ca 0.14 2.26 -0.02 0.00 -2.50 0.00 0.00 54.97 54.85 1nji s GLU 8 Cb 0.09 -3.72 0.00 0.00 0.00 0.00 0.00 34.13 30.51 1nji s GLU 8 CO 0.06 -0.75 0.32 0.41 0.02 0.00 0.00 175.26 175.32 1nji n GLY 9 N 4.01 -0.11 0.49 -1.50 0.00 -1.26 -4.91 105.19 101.90 1nji n GLY 9 Ca 0.16 -0.21 0.09 0.00 0.00 0.00 0.00 46.02 46.06 1nji n GLY 9 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1nji n THR 10 N -4.06 2.09 -0.16 2.61 -2.24 -1.06 -4.69 114.28 106.78 1nji n THR 10 Ca -0.09 -2.07 -0.05 0.00 -2.27 0.00 0.00 64.05 59.57 1nji n THR 10 Cb 0.59 -0.25 0.05 0.00 -2.10 0.00 0.00 70.33 68.62 1nji n THR 10 CO 0.00 0.00 0.00 -0.09 -0.57 0.00 0.00 175.07 174.41 1nji h ARG 11 N 0.92 0.45 0.17 -0.78 2.43 -1.91 -2.18 114.38 113.48 1nji h ARG 11 Ca 0.00 -0.03 -0.01 0.00 -0.81 0.00 0.00 59.98 59.13 1nji h ARG 11 Cb 1.23 -0.10 0.00 0.00 -0.42 0.00 0.00 29.97 30.68 1nji h ARG 11 CO 0.11 0.30 -0.08 0.78 -1.51 0.00 0.00 179.97 179.57 1nji h GLY 12 N 0.47 -0.24 1.39 2.80 0.00 -1.95 -3.30 103.07 102.25 1nji h GLY 12 Ca 0.22 0.09 0.00 0.00 0.00 0.00 0.00 47.33 47.63 1nji h GLY 12 CO -0.16 -0.09 0.30 0.07 0.00 0.00 0.00 176.54 176.67 1nji h LYS 13 N -0.43 0.00 -0.30 4.80 2.10 -1.88 -1.72 116.57 119.14 1nji h LYS 13 Ca -0.02 0.00 -0.09 0.00 -2.00 0.00 0.00 60.65 58.54 1nji h LYS 13 Cb 0.17 0.00 -0.05 0.00 -0.90 0.00 0.00 32.23 31.45 1nji h LYS 13 CO 0.04 0.00 -0.02 1.28 -2.00 0.00 0.00 179.45 178.75 1nji n LEU 14 N -2.85 3.96 -4.31 7.07 4.77 -0.82 -4.86 117.00 119.96 1nji n LEU 14 Ca -0.02 -3.37 -0.28 0.00 -0.03 0.00 0.00 56.01 52.32 1nji n LEU 14 Cb 0.35 -0.58 -0.14 0.00 -2.33 0.00 0.00 43.42 40.71 1nji n LEU 14 CO 0.13 0.94 -0.55 -0.75 -1.33 0.00 0.00 177.39 175.83 1nji s LYS 15 N -3.03 1.56 0.16 3.23 2.20 -0.65 -4.72 119.74 118.50 1nji s LYS 15 Ca 0.43 -1.08 -0.05 0.00 -0.36 0.00 0.00 55.97 54.91 1nji s LYS 15 Cb 0.37 -1.76 -0.06 0.00 -1.51 0.00 0.00 37.83 34.87 1nji s LYS 15 CO 0.05 0.45 0.40 -0.80 -0.36 0.00 0.00 175.35 175.08 1nji s ASN 16 N -1.35 6.50 0.34 1.43 0.02 -1.26 -4.93 114.94 115.68 1nji s ASN 16 Ca 0.10 0.62 -0.28 0.00 -1.02 0.00 0.00 52.86 52.29 1nji s ASN 16 Cb -0.10 -2.10 -0.09 0.00 0.02 0.00 0.00 41.25 38.98 1nji s ASN 16 CO 0.03 0.03 1.15 -0.54 0.02 0.00 0.00 177.10 177.78 1nji s LYS 17 N -2.73 4.38 0.40 -0.60 3.01 -1.26 -4.87 119.74 118.07 1nji s LYS 17 Ca 0.42 1.85 0.32 0.00 -1.01 0.00 0.00 55.97 57.55 1nji s LYS 17 Cb -0.12 -2.95 1.34 0.00 -1.01 0.00 0.00 37.83 35.08 1nji s LYS 17 CO 0.25 -0.04 1.34 -2.30 0.51 0.00 0.00 175.35 175.10 1nji n PRO 18 N 0.67 -0.02 0.17 -1.68 -0.02 -1.26 -0.12 135.00 132.74 1nji n PRO 18 Ca 0.01 1.04 0.12 0.00 -2.02 0.00 0.00 63.50 62.65 1nji n PRO 18 Cb 0.45 -2.13 0.12 0.00 -0.02 0.00 0.00 33.50 31.92 1nji n PRO 18 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1nji h ARG 19 N 0.00 0.00 -0.37 -0.52 3.08 -2.05 -3.20 114.38 111.32 1nji h ARG 19 Ca 0.77 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.82 1nji h ARG 19 Cb 2.66 0.00 0.00 0.00 0.08 0.00 0.00 29.97 32.71 1nji h ARG 19 CO -0.29 0.00 0.00 -0.25 -1.07 0.00 0.00 179.97 178.36 1nji n ASP 20 N -2.87 2.57 -4.73 7.04 8.00 0.83 -4.93 116.55 122.47 1nji n ASP 20 Ca 0.03 -1.91 -0.35 0.00 0.71 0.00 0.00 54.79 53.27 1nji n ASP 20 Cb 0.53 -0.24 0.07 0.00 -0.02 0.00 0.00 41.12 41.46 1nji n ASP 20 CO 0.00 0.00 0.00 -0.60 -0.39 0.00 0.00 177.20 176.21 1nji s ARG 21 N -1.51 2.42 0.00 -1.24 3.00 -1.15 -4.88 118.95 115.60 1nji s ARG 21 Ca 0.35 1.81 0.00 0.00 -1.00 0.00 0.00 55.73 56.89 1nji s ARG 21 Cb 0.19 -1.86 0.00 0.00 0.00 0.00 0.00 34.95 33.28 1nji s ARG 21 CO 0.26 -1.63 0.00 0.41 0.00 0.00 0.00 175.30 174.34 1nji n GLY 22 N 0.47 0.05 2.56 8.12 0.00 -1.26 -4.97 105.19 110.15 1nji n GLY 22 Ca 0.14 -1.65 -0.43 0.00 0.00 0.00 0.00 46.02 44.08 1nji n GLY 22 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1nji n THR 23 N 0.29 0.13 -2.47 2.61 -1.04 -1.26 -4.87 114.28 107.66 1nji n THR 23 Ca 0.00 -0.03 -0.30 0.00 -2.04 0.00 0.00 64.05 61.68 1nji n THR 23 Cb 0.00 0.00 -0.02 0.00 -1.82 0.00 0.00 70.33 68.49 1nji n THR 23 CO 0.00 0.00 0.00 -0.44 -0.64 0.00 0.00 175.07 173.99 1nji s SER 24 N -0.06 6.42 0.26 8.00 0.01 -1.26 -5.02 113.70 122.05 1nji s SER 24 Ca 0.65 1.26 -0.30 0.00 1.31 0.00 0.00 55.95 58.86 1nji s SER 24 Cb -0.91 -2.38 -0.11 0.00 0.21 0.00 0.00 66.02 62.83 1nji s SER 24 CO 0.42 -0.59 1.58 -2.84 0.41 0.00 0.00 173.24 172.21 1nji s PRO 25 N -4.40 4.16 0.50 12.44 0.02 -1.26 -4.91 135.00 141.55 1nji s PRO 25 Ca 0.53 2.50 0.28 0.00 0.02 0.00 0.00 61.00 64.32 1nji s PRO 25 Cb -0.10 -3.06 1.29 0.00 0.02 0.00 0.00 34.50 32.64 1nji s PRO 25 CO 0.39 -0.60 1.98 -1.35 -0.33 0.00 0.00 177.00 177.10 1nji h PRO 26 N 5.39 0.00 -0.60 5.54 0.11 -2.00 -3.28 132.00 137.17 1nji h PRO 26 Ca -0.46 0.00 0.11 0.00 0.11 0.00 0.00 66.00 65.77 1nji h PRO 26 Cb 1.21 0.00 -0.12 0.00 0.11 0.00 0.00 31.00 32.21 1nji h PRO 26 CO 0.83 0.14 -0.26 0.37 -0.21 0.00 0.00 178.00 178.87 1nji h GLN 27 N 0.00 -0.10 0.00 1.05 5.75 -2.00 -0.50 115.11 119.31 1nji h GLN 27 Ca -0.00 0.01 0.00 0.00 -0.15 0.00 0.00 58.65 58.51 1nji h GLN 27 Cb 0.49 0.02 0.00 0.00 1.07 0.00 0.00 27.48 29.07 1nji h GLN 27 CO 0.02 -0.07 0.00 2.89 -2.65 0.00 0.00 178.83 179.02 1nji n ARG 28 N -5.44 0.13 0.00 1.69 1.85 -1.24 -2.52 116.66 111.13 1nji n ARG 28 Ca 0.05 0.07 0.12 0.00 -1.00 0.00 0.00 57.85 57.10 1nji n ARG 28 Cb 0.35 -1.50 0.29 0.00 -1.05 0.00 0.00 32.46 30.55 1nji n ARG 28 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 1nji n ALA 29 N -1.42 3.41 0.23 2.89 0.00 -0.22 -3.47 120.51 121.93 1nji n ALA 29 Ca 0.08 -0.37 0.03 0.00 0.00 0.00 0.00 53.44 53.17 1nji n ALA 29 Cb 0.25 -1.12 0.01 0.00 0.00 0.00 0.00 19.45 18.59 1nji n ALA 29 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1nji n VAL 30 N -1.21 0.00 -1.51 0.00 0.31 -1.05 -4.30 118.33 110.58 1nji n VAL 30 Ca 0.08 -0.46 -0.41 0.00 -0.01 0.00 0.00 64.34 63.53 1nji n VAL 30 Cb 0.34 1.08 0.01 0.00 -0.91 0.00 0.00 33.84 34.36 1nji n VAL 30 CO 0.00 0.00 0.00 1.21 -1.32 0.00 0.00 176.83 176.72 1nji n GLU 31 N -0.16 0.83 -4.72 5.55 4.07 -1.11 -4.98 120.64 120.12 1nji n GLU 31 Ca 0.03 0.30 -0.33 0.00 -0.06 0.00 0.00 57.16 57.09 1nji n GLU 31 Cb 0.12 -1.71 -0.13 0.00 -0.06 0.00 0.00 31.44 29.66 1nji n GLU 31 CO 0.00 0.00 0.00 -1.21 -0.06 0.00 0.00 177.13 175.86 1nji s GLU 32 N -1.78 3.07 0.20 5.31 0.41 -1.26 -4.82 118.70 119.82 1nji s GLU 32 Ca 0.64 -0.63 0.10 0.00 -0.41 0.00 0.00 54.97 54.67 1nji s GLU 32 Cb -0.58 -2.60 -0.04 0.00 -1.78 0.00 0.00 34.13 29.12 1nji s GLU 32 CO 0.57 0.42 -0.18 -0.06 -0.49 0.00 0.00 175.26 175.52 1nji s PHE 33 N -0.17 2.44 0.08 1.61 0.40 -1.26 -5.14 117.98 115.94 1nji s PHE 33 Ca 0.01 -0.30 0.03 0.00 -0.60 0.00 0.00 56.93 56.07 1nji s PHE 33 Cb -0.13 -1.19 -0.04 0.00 0.51 0.00 0.00 43.02 42.17 1nji s PHE 33 CO 0.03 0.52 0.07 -0.51 0.70 0.00 0.00 175.22 176.03 1nji s ASP 34 N -2.81 5.45 0.18 1.36 1.01 -1.26 -5.05 116.67 115.55 1nji s ASP 34 Ca 0.23 -0.04 -0.33 0.00 0.71 0.00 0.00 52.55 53.12 1nji s ASP 34 Cb -0.08 -1.44 -0.14 0.00 1.01 0.00 0.00 42.92 42.28 1nji s ASP 34 CO 0.12 0.17 1.57 0.47 0.21 0.00 0.00 175.17 177.71 1nji n ASP 35 N 0.47 3.16 0.00 0.27 8.00 -1.26 -1.02 116.55 126.17 1nji n ASP 35 Ca -0.09 1.09 0.00 0.00 0.71 0.00 0.00 54.79 56.50 1nji n ASP 35 Cb 0.52 -1.45 0.00 0.00 -0.02 0.00 0.00 41.12 40.17 1nji n ASP 35 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1nji n GLY 36 N 3.22 2.86 3.75 0.44 0.00 0.22 -4.98 105.19 110.70 1nji n GLY 36 Ca 0.16 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.81 1nji n GLY 36 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1nji s GLU 37 N -0.44 2.96 -0.17 1.61 2.02 -0.19 -4.66 118.70 119.83 1nji s GLU 37 Ca 0.00 2.03 -0.14 0.00 0.02 0.00 0.00 54.97 56.88 1nji s GLU 37 Cb 0.00 -2.05 -0.04 0.00 0.10 0.00 0.00 34.13 32.13 1nji s GLU 37 CO 0.00 -1.27 0.32 0.15 0.02 0.00 0.00 175.26 174.49 1nji s LYS 38 N -3.15 4.23 0.01 1.61 -0.14 -1.26 -1.13 119.74 119.91 1nji s LYS 38 Ca 0.76 0.12 0.04 0.00 -1.36 0.00 0.00 55.97 55.54 1nji s LYS 38 Cb -0.36 -3.46 -0.01 0.00 -1.68 0.00 0.00 37.83 32.32 1nji s LYS 38 CO 0.40 0.15 -0.14 0.14 -0.76 0.00 0.00 175.35 175.14 1nji s VAL 39 N 0.73 1.10 0.03 3.17 -7.23 -0.62 -1.35 120.40 116.23 1nji s VAL 39 Ca 0.17 -0.73 -0.22 0.00 -1.81 0.00 0.00 61.98 59.39 1nji s VAL 39 Cb -0.14 -0.95 -0.06 0.00 0.56 0.00 0.00 36.38 35.80 1nji s VAL 39 CO 0.05 0.20 0.64 -1.00 -0.31 0.00 0.00 175.10 174.69 1nji s HIS 40 N -0.50 3.73 -0.21 2.82 3.76 0.75 -1.42 115.29 124.22 1nji s HIS 40 Ca 0.04 1.30 -0.12 0.00 -0.15 0.00 0.00 55.06 56.13 1nji s HIS 40 Cb -0.06 -2.65 -0.05 0.00 1.11 0.00 0.00 32.58 30.94 1nji s HIS 40 CO 0.00 0.39 0.24 -0.51 -0.85 0.00 0.00 174.74 174.00 1nji s LEU 41 N -0.38 4.16 -0.30 0.89 1.02 0.11 -2.30 118.68 121.88 1nji s LEU 41 Ca 0.33 0.30 -0.06 0.00 0.02 0.00 0.00 54.13 54.72 1nji s LEU 41 Cb -0.19 -2.25 0.16 0.00 0.02 0.00 0.00 46.19 43.93 1nji s LEU 41 CO 0.19 0.06 0.63 -0.75 0.02 0.00 0.00 176.35 176.50 1nji s LYS 42 N 0.90 0.57 0.22 1.70 2.47 -0.89 -0.81 119.74 123.89 1nji s LYS 42 Ca 0.12 1.24 -0.30 0.00 -1.56 0.00 0.00 55.97 55.47 1nji s LYS 42 Cb -0.13 0.72 -0.10 0.00 -1.46 0.00 0.00 37.83 36.87 1nji s LYS 42 CO 0.04 -0.40 1.41 0.42 0.16 0.00 0.00 175.35 176.98 1nji s ILE 43 N 2.88 2.86 -0.40 5.43 1.01 -1.26 -4.49 121.20 127.22 1nji s ILE 43 Ca 0.07 0.70 -0.22 0.00 0.00 0.00 0.00 60.65 61.20 1nji s ILE 43 Cb -0.13 -3.45 0.02 0.00 0.01 0.00 0.00 42.46 38.90 1nji s ILE 43 CO -0.20 0.10 0.71 -0.62 0.00 0.00 0.00 174.94 174.93 1nji s ASP 44 N 0.45 6.43 0.36 3.58 -1.08 -1.26 -4.93 116.67 120.21 1nji s ASP 44 Ca 0.60 0.01 0.14 0.00 -0.52 0.00 0.00 52.55 52.79 1nji s ASP 44 Cb -0.40 -2.36 1.01 0.00 -1.46 0.00 0.00 42.92 39.71 1nji s ASP 44 CO 0.40 -0.76 1.74 -0.65 0.52 0.00 0.00 175.17 176.43 1nji h PRO 45 N 8.70 0.46 0.00 4.34 0.11 -1.89 -0.57 132.00 143.15 1nji h PRO 45 Ca -0.25 -0.03 -0.04 0.00 0.11 0.00 0.00 66.00 65.79 1nji h PRO 45 Cb 1.10 -0.10 -0.01 0.00 0.11 0.00 0.00 31.00 32.10 1nji h PRO 45 CO 0.90 0.30 -0.18 0.77 -0.21 0.00 0.00 178.00 179.59 1nji h SER 46 N 0.47 0.00 -3.54 -2.05 0.02 -1.92 -3.42 113.55 103.12 1nji h SER 46 Ca 0.63 0.00 -0.71 0.00 -0.84 0.00 0.00 61.79 60.87 1nji h SER 46 Cb 1.41 0.00 -0.20 0.00 0.14 0.00 0.00 62.40 63.75 1nji h SER 46 CO -0.39 0.18 -0.39 -0.69 -1.14 0.00 0.00 176.83 174.39 1nji s VAL 47 N -3.61 5.23 0.07 2.27 1.01 -0.22 -4.80 120.40 120.35 1nji s VAL 47 Ca 0.01 -0.53 -0.23 0.00 0.00 0.00 0.00 61.98 61.23 1nji s VAL 47 Cb 0.10 -3.92 -0.15 0.00 0.00 0.00 0.00 36.38 32.40 1nji s VAL 47 CO 0.62 -0.29 1.66 -0.65 0.00 0.00 0.00 175.10 176.44 1nji h PRO 48 N 8.63 0.02 -7.32 2.72 0.11 -1.82 -3.43 132.00 130.92 1nji h PRO 48 Ca -0.27 -0.00 -0.46 0.00 0.11 0.00 0.00 66.00 65.38 1nji h PRO 48 Cb 1.12 -0.00 0.09 0.00 0.11 0.00 0.00 31.00 32.32 1nji h PRO 48 CO 0.73 0.11 0.21 -0.80 -0.21 0.00 0.00 178.00 178.04 1nji s ASN 49 N -5.30 4.35 -2.07 -2.05 0.01 -1.26 -4.41 114.94 104.21 1nji s ASN 49 Ca -0.14 0.13 0.00 0.00 -0.71 0.00 0.00 52.86 52.15 1nji s ASN 49 Cb 0.05 -0.59 0.00 0.00 0.41 0.00 0.00 41.25 41.12 1nji s ASN 49 CO 0.67 -1.88 0.00 0.61 -1.51 0.00 0.00 177.10 174.99 1nji n GLY 50 N -3.03 1.86 3.88 0.66 0.00 -1.26 -4.89 105.19 102.41 1nji n GLY 50 Ca 0.12 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.84 1nji n GLY 50 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1nji s ARG 51 N -3.65 0.65 0.27 1.61 0.52 -1.26 -2.22 118.95 114.87 1nji s ARG 51 Ca 0.00 -0.26 0.02 0.00 -0.52 0.00 0.00 55.73 54.97 1nji s ARG 51 Cb 0.00 -1.83 -0.05 0.00 0.52 0.00 0.00 34.95 33.59 1nji s ARG 51 CO 0.00 -2.43 0.12 -0.59 0.02 0.00 0.00 175.30 172.42 1nji s PHE 52 N -3.71 1.54 0.01 -0.53 -0.12 -1.26 -4.75 117.98 109.16 1nji s PHE 52 Ca 0.71 -1.26 -0.30 0.00 -0.05 0.00 0.00 56.93 56.04 1nji s PHE 52 Cb -0.06 -0.87 -0.08 0.00 -0.63 0.00 0.00 43.02 41.38 1nji s PHE 52 CO 0.53 -0.41 1.81 -1.58 -0.05 0.00 0.00 175.22 175.51 1nji s HIS 53 N -3.72 1.71 0.63 3.49 5.65 -1.26 -4.83 115.29 116.96 1nji s HIS 53 Ca 0.37 -0.11 0.15 0.00 0.25 0.00 0.00 55.06 55.72 1nji s HIS 53 Cb 0.07 -4.08 0.53 0.00 -1.18 0.00 0.00 32.58 27.91 1nji s HIS 53 CO 0.15 -4.69 1.19 -1.35 -0.65 0.00 0.00 174.74 169.38 1nji h PRO 54 N 9.86 0.00 0.00 2.88 0.11 -1.99 0.95 132.00 143.82 1nji h PRO 54 Ca -0.45 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 65.66 1nji h PRO 54 Cb 1.21 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.32 1nji h PRO 54 CO 0.95 0.00 -0.02 0.00 -0.21 0.00 0.00 178.00 178.71 1nji h ARG 55 N 0.00 0.00 -0.02 1.05 3.08 -1.89 -2.50 114.38 114.11 1nji h ARG 55 Ca 0.26 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.31 1nji h ARG 55 Cb 2.46 0.00 0.00 0.00 0.08 0.00 0.00 29.97 32.51 1nji h ARG 55 CO -0.00 0.02 -0.04 1.19 -1.07 0.00 0.00 179.97 180.07 1nji n PHE 56 N -3.18 0.00 -1.67 3.04 3.72 0.33 -4.90 117.46 114.80 1nji n PHE 56 Ca -0.01 0.00 -0.46 0.00 -0.05 0.00 0.00 57.45 56.93 1nji n PHE 56 Cb 0.21 -0.01 -0.04 0.00 -0.94 0.00 0.00 39.48 38.70 1nji n PHE 56 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 176.76 176.46 1nji n ASP 57 N 0.38 3.28 0.00 4.37 9.92 -0.94 -1.51 116.55 132.05 1nji n ASP 57 Ca 0.17 1.05 0.00 0.00 -0.53 0.00 0.00 54.79 55.48 1nji n ASP 57 Cb 0.42 -1.42 0.00 0.00 -0.64 0.00 0.00 41.12 39.47 1nji n ASP 57 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1nji n GLY 58 N 3.75 3.02 3.72 0.44 0.00 0.00 -5.02 105.19 111.11 1nji n GLY 58 Ca 0.18 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.90 1nji n GLY 58 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1nji s GLN 59 N -0.63 1.66 -0.23 1.61 -1.52 -0.57 -4.76 119.66 115.22 1nji s GLN 59 Ca 0.00 1.29 -0.02 0.00 -1.95 0.00 0.00 55.36 54.67 1nji s GLN 59 Cb 0.00 -1.82 0.07 0.00 -0.22 0.00 0.00 33.01 31.04 1nji s GLN 59 CO 0.00 -2.10 0.06 0.99 -0.25 0.00 0.00 175.29 173.99 1nji s THR 60 N -2.80 0.55 0.00 -0.19 2.01 -1.26 -0.71 115.64 113.24 1nji s THR 60 Ca 0.64 -0.77 0.00 0.00 0.31 0.00 0.00 61.69 61.87 1nji s THR 60 Cb -0.19 -1.17 0.00 0.00 0.01 0.00 0.00 72.50 71.14 1nji s THR 60 CO 0.57 -0.36 0.00 0.61 -0.69 0.00 0.00 174.62 174.75 1nji n GLY 61 N 5.02 2.96 3.12 4.40 0.00 -0.51 -4.88 105.19 115.31 1nji n GLY 61 Ca -0.07 -2.16 -0.33 0.00 0.00 0.00 0.00 46.02 43.46 1nji n GLY 61 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1nji s THR 62 N 0.18 2.14 0.19 2.61 2.01 -0.43 -1.59 115.64 120.75 1nji s THR 62 Ca 0.00 -1.08 -0.32 0.00 0.31 0.00 0.00 61.69 60.60 1nji s THR 62 Cb 0.00 -1.98 -0.12 0.00 0.01 0.00 0.00 72.50 70.41 1nji s THR 62 CO 0.00 0.41 1.74 0.52 -0.69 0.00 0.00 174.62 176.60 1nji n VAL 63 N 4.59 0.07 -3.19 3.82 0.31 -0.28 -1.58 118.33 122.07 1nji n VAL 63 Ca -0.19 -0.01 -0.22 0.00 -0.01 0.00 0.00 64.34 63.91 1nji n VAL 63 Cb 0.48 -2.00 -0.05 0.00 -0.91 0.00 0.00 33.84 31.37 1nji n VAL 63 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 1nji n GLU 64 N 4.27 0.93 0.00 5.55 -0.58 -0.15 0.69 120.64 131.36 1nji n GLU 64 Ca 0.16 -3.37 0.00 0.00 -0.42 0.00 0.00 57.16 53.54 1nji n GLU 64 Cb 0.35 -1.48 0.00 0.00 -0.57 0.00 0.00 31.44 29.74 1nji n GLU 64 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1nji n GLY 65 N 0.86 0.49 3.27 0.62 0.00 -1.26 -4.76 105.19 104.41 1nji n GLY 65 Ca 0.23 -1.95 -0.13 0.00 0.00 0.00 0.00 46.02 44.17 1nji n GLY 65 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1nji s LYS 66 N -1.59 1.36 -0.15 1.61 -2.85 -1.26 -1.39 119.74 115.46 1nji s LYS 66 Ca 0.00 -1.66 -0.03 0.00 -1.00 0.00 0.00 55.97 53.28 1nji s LYS 66 Cb 0.00 0.31 0.05 0.00 -2.06 0.00 0.00 37.83 36.13 1nji s LYS 66 CO 0.00 -0.48 0.04 -1.14 0.10 0.00 0.00 175.35 173.87 1nji s GLN 67 N -3.98 0.47 5.09 1.78 0.74 0.44 -4.83 119.66 119.36 1nji s GLN 67 Ca 0.37 -0.18 0.00 0.00 0.05 0.00 0.00 55.36 55.60 1nji s GLN 67 Cb 0.05 -1.72 0.00 0.00 1.10 0.00 0.00 33.01 32.45 1nji s GLN 67 CO 0.15 -0.56 0.00 0.41 -0.55 0.00 0.00 175.29 174.74 1nji n GLY 68 N 5.14 1.94 0.07 2.59 0.00 -1.26 -1.56 105.19 112.11 1nji n GLY 68 Ca -0.08 -0.56 0.12 0.00 0.00 0.00 0.00 46.02 45.50 1nji n GLY 68 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1nji n ASP 69 N 0.96 0.73 -4.79 1.61 8.00 -1.26 -4.86 116.55 116.95 1nji n ASP 69 Ca 0.00 0.22 -0.32 0.00 0.71 0.00 0.00 54.79 55.40 1nji n ASP 69 Cb 0.00 -0.06 0.03 0.00 -0.02 0.00 0.00 41.12 41.08 1nji n ASP 69 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1nji s ALA 70 N -3.15 2.61 0.17 2.24 0.00 -0.60 -4.74 121.76 118.29 1nji s ALA 70 Ca 0.07 0.38 0.05 0.00 0.00 0.00 0.00 51.96 52.46 1nji s ALA 70 Cb 0.13 -3.25 -0.04 0.00 0.00 0.00 0.00 23.12 19.96 1nji s ALA 70 CO 0.69 -1.08 0.18 0.71 0.00 0.00 0.00 175.76 176.26 1nji s TYR 71 N -2.54 3.23 -0.41 0.00 1.51 0.17 -0.42 117.35 118.89 1nji s TYR 71 Ca 0.64 0.00 -0.07 0.00 -1.01 0.00 0.00 57.07 56.62 1nji s TYR 71 Cb -0.17 -1.54 0.08 0.00 -0.11 0.00 0.00 41.96 40.22 1nji s TYR 71 CO 0.42 0.52 0.23 0.15 -1.11 0.00 0.00 175.55 175.76 1nji s LYS 72 N -3.22 2.48 -0.21 -0.62 1.02 -0.48 -0.86 119.74 117.85 1nji s LYS 72 Ca 0.32 -1.51 -0.10 0.00 0.02 0.00 0.00 55.97 54.70 1nji s LYS 72 Cb -0.10 -3.69 -0.05 0.00 -0.52 0.00 0.00 37.83 33.47 1nji s LYS 72 CO 0.25 -0.95 0.13 0.08 -0.92 0.00 0.00 175.35 173.94 1nji s VAL 73 N 1.36 5.37 -0.15 3.17 1.01 0.58 -0.98 120.40 130.76 1nji s VAL 73 Ca 0.03 0.18 -0.19 0.00 0.00 0.00 0.00 61.98 62.00 1nji s VAL 73 Cb -0.23 -3.46 -0.04 0.00 0.00 0.00 0.00 36.38 32.65 1nji s VAL 73 CO 0.01 0.42 0.51 -1.81 0.00 0.00 0.00 175.10 174.22 1nji s ASP 74 N 0.51 6.66 0.33 3.32 1.01 -0.61 -0.23 116.67 127.65 1nji s ASP 74 Ca 0.08 0.79 0.03 0.00 0.71 0.00 0.00 52.55 54.15 1nji s ASP 74 Cb -0.12 -2.30 -0.04 0.00 1.01 0.00 0.00 42.92 41.48 1nji s ASP 74 CO -0.01 -0.08 0.12 0.27 0.21 0.00 0.00 175.17 175.69 1nji s ILE 75 N 1.02 0.60 -0.21 0.77 -4.36 -0.11 -1.31 121.20 117.59 1nji s ILE 75 Ca 0.26 -2.00 0.00 0.00 -0.26 0.00 0.00 60.65 58.65 1nji s ILE 75 Cb -0.15 -2.55 0.05 0.00 1.25 0.00 0.00 42.46 41.06 1nji s ILE 75 CO 0.10 0.00 -0.05 -0.69 0.24 0.00 0.00 174.94 174.54 1nji s VAL 76 N -3.48 1.38 -0.36 8.37 1.01 -1.26 -0.50 120.40 125.56 1nji s VAL 76 Ca 0.33 -1.01 -0.22 0.00 0.00 0.00 0.00 61.98 61.08 1nji s VAL 76 Cb 0.06 -1.62 0.01 0.00 0.00 0.00 0.00 36.38 34.83 1nji s VAL 76 CO 0.16 -0.02 0.74 -0.62 0.00 0.00 0.00 175.10 175.36 1nji s ASP 77 N 1.48 6.52 1.24 3.32 -1.08 0.28 -4.79 116.67 123.65 1nji s ASP 77 Ca -0.03 0.31 0.00 0.00 -0.52 0.00 0.00 52.55 52.31 1nji s ASP 77 Cb -0.18 -2.38 0.00 0.00 -1.46 0.00 0.00 42.92 38.91 1nji s ASP 77 CO -0.07 -0.69 0.00 0.61 0.52 0.00 0.00 175.17 175.54 1nji n GLY 78 N 4.55 0.70 0.00 2.66 0.00 -1.26 0.12 105.19 111.95 1nji n GLY 78 Ca 0.02 0.58 0.00 0.00 0.00 0.00 0.00 46.02 46.62 1nji n GLY 78 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1nji n GLY 79 N 0.00 1.95 3.68 -0.02 0.00 -1.26 -5.03 105.19 104.51 1nji n GLY 79 Ca 0.00 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.67 1nji n GLY 79 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1nji s LYS 80 N -0.77 3.14 -0.01 1.61 2.20 0.32 -5.08 119.74 121.14 1nji s LYS 80 Ca 0.00 -0.39 -0.30 0.00 -0.36 0.00 0.00 55.97 54.92 1nji s LYS 80 Cb 0.00 -2.86 -0.03 0.00 -1.51 0.00 0.00 37.83 33.43 1nji s LYS 80 CO 0.00 0.64 0.97 -2.00 -0.36 0.00 0.00 175.35 174.61 1nji s GLU 81 N -0.71 4.55 0.07 4.03 2.12 -1.26 0.10 118.70 127.59 1nji s GLU 81 Ca 0.11 1.40 0.00 0.00 0.36 0.00 0.00 54.97 56.85 1nji s GLU 81 Cb -0.12 -3.47 -0.04 0.00 0.26 0.00 0.00 34.13 30.77 1nji s GLU 81 CO 0.02 -0.07 -0.05 0.15 -0.54 0.00 0.00 175.26 174.78 1nji s LYS 82 N 1.08 0.69 -0.13 4.30 1.02 0.34 -4.91 119.74 122.13 1nji s LYS 82 Ca 0.51 -1.22 0.03 0.00 0.02 0.00 0.00 55.97 55.30 1nji s LYS 82 Cb -0.21 0.01 0.01 0.00 -0.52 0.00 0.00 37.83 37.12 1nji s LYS 82 CO 0.27 -0.06 -0.22 0.99 -0.92 0.00 0.00 175.35 175.41 1nji s THR 83 N -3.59 2.01 -0.12 2.17 2.01 -1.26 -0.94 115.64 115.92 1nji s THR 83 Ca 0.07 -0.95 -0.00 0.00 0.31 0.00 0.00 61.69 61.12 1nji s THR 83 Cb 0.05 -1.77 -0.02 0.00 0.01 0.00 0.00 72.50 70.77 1nji s THR 83 CO -0.07 0.54 -0.11 -0.63 -0.69 0.00 0.00 174.62 173.66 1nji s ILE 84 N 0.76 3.28 -0.39 1.82 1.01 0.68 -4.93 121.20 123.44 1nji s ILE 84 Ca -0.09 -0.59 -0.19 0.00 0.00 0.00 0.00 60.65 59.78 1nji s ILE 84 Cb -0.16 -2.37 0.01 0.00 0.01 0.00 0.00 42.46 39.95 1nji s ILE 84 CO -0.00 0.54 0.53 -0.63 0.00 0.00 0.00 174.94 175.37 1nji s ILE 85 N 0.07 4.98 0.00 2.92 -1.09 -1.26 -0.31 121.20 126.51 1nji s ILE 85 Ca -0.04 0.12 -0.07 0.00 -2.23 0.00 0.00 60.65 58.43 1nji s ILE 85 Cb -0.14 -4.04 0.00 0.00 -1.58 0.00 0.00 42.46 36.69 1nji s ILE 85 CO 0.04 -0.36 0.13 0.54 -1.23 0.00 0.00 174.94 174.05 1nji s VAL 86 N 2.44 0.08 0.34 2.92 0.11 -0.04 -4.63 120.40 121.63 1nji s VAL 86 Ca 0.18 -0.68 -0.01 0.00 -2.93 0.00 0.00 61.98 58.53 1nji s VAL 86 Cb -0.15 -0.42 -0.04 0.00 -1.53 0.00 0.00 36.38 34.24 1nji s VAL 86 CO 0.15 -0.38 0.57 0.42 -3.33 0.00 0.00 175.10 172.53 1nji s THR 87 N -1.35 5.07 0.39 5.04 -4.23 -0.94 0.43 115.64 120.06 1nji s THR 87 Ca -0.14 -0.29 0.15 0.00 -1.18 0.00 0.00 61.69 60.22 1nji s THR 87 Cb -0.08 -3.83 0.36 0.00 1.34 0.00 0.00 72.50 70.29 1nji s THR 87 CO 0.01 -0.52 1.84 0.00 -0.54 0.00 0.00 174.62 175.41 1nji h ALA 88 N 0.94 2.07 -1.45 3.99 0.00 -1.85 -1.57 119.26 121.40 1nji h ALA 88 Ca -0.49 0.03 0.42 0.00 0.00 0.00 0.00 54.91 54.87 1nji h ALA 88 Cb 1.21 -0.05 -0.06 0.00 0.00 0.00 0.00 17.79 18.89 1nji h ALA 88 CO 0.63 -0.37 1.06 0.00 0.00 0.00 0.00 179.25 180.57 1nji h ALA 89 N 1.61 3.37 -0.26 0.00 0.00 -1.74 0.34 119.26 122.58 1nji h ALA 89 Ca 0.49 -0.05 -0.05 0.00 0.00 0.00 0.00 54.91 55.29 1nji h ALA 89 Cb 1.07 0.11 -0.03 0.00 0.00 0.00 0.00 17.79 18.94 1nji h ALA 89 CO -0.22 -1.81 -0.02 0.72 0.00 0.00 0.00 179.25 177.92 1nji n HIS 90 N -4.05 0.89 -4.34 0.00 -0.00 -0.59 -4.55 115.22 102.58 1nji n HIS 90 Ca 0.32 -1.10 -0.19 0.00 -0.00 0.00 0.00 57.72 56.74 1nji n HIS 90 Cb 1.52 -0.35 -0.10 0.00 -0.00 0.00 0.00 29.99 31.06 1nji n HIS 90 CO 0.00 0.00 0.00 -0.51 -0.00 0.00 0.00 176.34 175.83 1nji s LEU 91 N -2.96 2.52 -0.09 2.41 1.43 0.12 -2.10 118.68 120.01 1nji s LEU 91 Ca 0.42 -0.96 -0.10 0.00 -1.03 0.00 0.00 54.13 52.46 1nji s LEU 91 Cb 0.35 -0.71 0.02 0.00 0.03 0.00 0.00 46.19 45.89 1nji s LEU 91 CO 0.06 -0.13 0.26 -0.13 0.23 0.00 0.00 176.35 176.64 1nji s ARG 92 N -3.35 0.36 0.26 1.70 1.81 -0.97 -4.95 118.95 113.80 1nji s ARG 92 Ca 0.20 0.26 -0.30 0.00 -1.72 0.00 0.00 55.73 54.18 1nji s ARG 92 Cb -0.02 0.17 -0.09 0.00 -0.45 0.00 0.00 34.95 34.55 1nji s ARG 92 CO 0.07 -0.06 1.23 1.03 -0.68 0.00 0.00 175.30 176.89 1nji s ARG 93 N -0.11 4.47 0.42 3.54 0.52 -1.26 -0.18 118.95 126.35 1nji s ARG 93 Ca -0.02 2.00 -0.22 0.00 -0.52 0.00 0.00 55.73 56.96 1nji s ARG 93 Cb -0.03 -3.17 -0.10 0.00 0.52 0.00 0.00 34.95 32.18 1nji s ARG 93 CO 0.01 -0.08 1.00 -1.14 0.02 0.00 0.00 175.30 175.12 1nji s GLN 94 N -0.97 4.14 0.00 3.54 0.74 -0.46 -4.80 119.66 121.84 1nji s GLN 94 Ca 0.50 1.34 0.00 0.00 0.05 0.00 0.00 55.36 57.25 1nji s GLN 94 Cb -0.35 -2.35 0.00 0.00 1.10 0.00 0.00 33.01 31.41 1nji s GLN 94 CO 0.43 -0.14 0.00 0.39 -0.55 0.00 0.00 175.29 175.42