#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1nji s ILE 2 N 0.00 2.10 0.11 -0.61 -4.36 -1.26 -5.12 121.20 112.06 1nji s ILE 2 Ca 0.00 -0.26 0.02 0.00 -0.26 0.00 0.00 60.65 60.14 1nji s ILE 2 Cb 0.00 -2.83 -0.04 0.00 1.25 0.00 0.00 42.46 40.84 1nji s ILE 2 CO 0.00 0.00 -0.05 -0.44 0.24 0.00 0.00 174.94 174.69 1nji s SER 3 N -4.76 1.11 0.11 4.36 0.01 -1.26 -5.10 113.70 108.16 1nji s SER 3 Ca 0.69 -1.04 -0.31 0.00 1.31 0.00 0.00 55.95 56.60 1nji s SER 3 Cb -0.06 0.11 -0.10 0.00 0.21 0.00 0.00 66.02 66.18 1nji s SER 3 CO 0.48 -0.49 1.76 -0.31 0.41 0.00 0.00 173.24 175.09 1nji s TYR 4 N -3.65 2.27 -2.28 2.43 1.51 -1.26 -4.84 117.35 111.53 1nji s TYR 4 Ca 0.14 0.11 0.23 0.00 -1.01 0.00 0.00 57.07 56.54 1nji s TYR 4 Cb 0.06 -4.10 0.91 0.00 -0.11 0.00 0.00 41.96 38.72 1nji s TYR 4 CO -0.03 -4.49 1.64 -1.13 -1.11 0.00 0.00 175.55 170.43 1nji n SER 5 N 5.60 1.35 -4.10 2.29 3.41 -1.26 -4.83 113.62 116.09 1nji n SER 5 Ca 0.17 -1.60 -0.19 0.00 -0.26 0.00 0.00 58.87 57.00 1nji n SER 5 Cb 0.39 -0.06 -0.13 0.00 -0.26 0.00 0.00 64.21 64.14 1nji n SER 5 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 1nji s VAL 6 N -1.87 0.91 0.30 -3.33 1.01 -1.26 -5.13 120.40 111.03 1nji s VAL 6 Ca 0.34 -0.82 -0.28 0.00 0.00 0.00 0.00 61.98 61.21 1nji s VAL 6 Cb 0.18 -0.83 -0.09 0.00 0.00 0.00 0.00 36.38 35.64 1nji s VAL 6 CO 0.28 0.01 1.06 -1.61 0.00 0.00 0.00 175.10 174.84 1nji s GLU 7 N -0.91 4.56 -0.04 2.72 2.02 -1.26 -5.05 118.70 120.74 1nji s GLU 7 Ca 0.01 1.68 0.00 0.00 0.02 0.00 0.00 54.97 56.68 1nji s GLU 7 Cb -0.07 -3.05 0.03 0.00 0.10 0.00 0.00 34.13 31.14 1nji s GLU 7 CO 0.01 0.18 -0.01 0.00 0.02 0.00 0.00 175.26 175.46 1nji s ALA 8 N -1.29 0.46 -0.39 5.21 0.00 -1.26 -5.11 121.76 119.38 1nji s ALA 8 Ca 0.47 0.06 -0.29 0.00 0.00 0.00 0.00 51.96 52.21 1nji s ALA 8 Cb -0.29 -0.44 0.01 0.00 0.00 0.00 0.00 23.12 22.41 1nji s ALA 8 CO 0.36 -0.16 1.29 0.34 0.00 0.00 0.00 175.76 177.60 1nji s ASP 9 N 1.25 6.53 0.54 0.00 -1.08 -1.26 -4.91 116.67 117.74 1nji s ASP 9 Ca -0.06 0.85 0.35 0.00 -0.52 0.00 0.00 52.55 53.16 1nji s ASP 9 Cb -0.13 -2.54 1.52 0.00 -1.46 0.00 0.00 42.92 40.30 1nji s ASP 9 CO -0.02 -1.26 1.82 1.55 0.52 0.00 0.00 175.17 177.78 1nji h PRO 10 N 9.80 0.02 0.00 4.34 0.13 -2.00 -1.48 132.00 142.81 1nji h PRO 10 Ca -0.26 -0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 64.87 1nji h PRO 10 Cb 1.09 -0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.21 1nji h PRO 10 CO 1.08 0.01 -0.01 -0.44 -0.23 0.00 0.00 178.00 178.41 1nji h ASP 11 N 0.02 0.00 0.00 1.44 3.32 -2.03 -3.29 116.42 115.87 1nji h ASP 11 Ca 0.53 0.00 -0.08 0.00 0.02 0.00 0.00 57.03 57.50 1nji h ASP 11 Cb 2.10 0.00 -0.17 0.00 0.22 0.00 0.00 39.33 41.47 1nji h ASP 11 CO -0.02 0.01 -0.69 0.35 -1.72 0.00 0.00 179.24 177.17 1nji n THR 12 N -3.10 0.61 -3.86 0.35 -2.24 -0.63 -5.05 114.28 100.36 1nji n THR 12 Ca 0.02 -1.29 -0.12 0.00 -2.27 0.00 0.00 64.05 60.39 1nji n THR 12 Cb 0.41 0.51 -0.12 0.00 -2.10 0.00 0.00 70.33 69.03 1nji n THR 12 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 1nji s THR 13 N -0.91 0.04 -0.02 4.28 2.01 -0.76 -2.35 115.64 117.93 1nji s THR 13 Ca 0.26 -0.34 0.06 0.00 0.31 0.00 0.00 61.69 61.98 1nji s THR 13 Cb 0.27 -0.28 -0.01 0.00 0.01 0.00 0.00 72.50 72.49 1nji s THR 13 CO -0.09 -0.19 -0.19 0.00 -0.69 0.00 0.00 174.62 173.47 1nji s ALA 14 N -0.60 1.58 0.35 7.40 0.00 -0.61 -4.72 121.76 125.16 1nji s ALA 14 Ca -0.07 -0.80 0.09 0.00 0.00 0.00 0.00 51.96 51.18 1nji s ALA 14 Cb -0.04 -0.42 -0.07 0.00 0.00 0.00 0.00 23.12 22.59 1nji s ALA 14 CO 0.01 0.37 -0.08 0.15 0.00 0.00 0.00 175.76 176.21 1nji s LYS 15 N -0.37 1.81 -0.09 0.00 1.02 -1.26 0.08 119.74 120.92 1nji s LYS 15 Ca 0.06 -1.94 -0.30 0.00 0.02 0.00 0.00 55.97 53.80 1nji s LYS 15 Cb -0.08 -1.65 0.11 0.00 -0.52 0.00 0.00 37.83 35.69 1nji s LYS 15 CO -0.00 0.11 0.93 0.00 -0.92 0.00 0.00 175.35 175.47 1nji s ALA 16 N -2.65 -1.88 0.03 5.17 0.00 -0.60 -4.62 121.76 117.21 1nji s ALA 16 Ca 0.33 1.33 -0.14 0.00 0.00 0.00 0.00 51.96 53.48 1nji s ALA 16 Cb 0.03 -0.18 0.02 0.00 0.00 0.00 0.00 23.12 22.99 1nji s ALA 16 CO 0.16 -0.47 0.31 -1.64 0.00 0.00 0.00 175.76 174.12 1nji s MET 17 N -1.96 0.79 -0.01 0.00 -1.94 -1.26 -1.51 119.30 113.41 1nji s MET 17 Ca 0.00 -0.45 0.06 0.00 -1.71 0.00 0.00 55.69 53.59 1nji s MET 17 Cb -0.01 0.34 -0.03 0.00 2.01 0.00 0.00 34.83 37.15 1nji s MET 17 CO -0.02 -0.25 -0.20 -0.51 -0.01 0.00 0.00 175.02 174.04 1nji s LEU 18 N -1.94 2.46 -0.05 -0.03 1.43 -0.61 -4.96 118.68 114.97 1nji s LEU 18 Ca -0.06 -0.36 0.06 0.00 -1.03 0.00 0.00 54.13 52.74 1nji s LEU 18 Cb -0.02 -1.46 -0.01 0.00 0.03 0.00 0.00 46.19 44.73 1nji s LEU 18 CO -0.02 0.31 -0.24 -0.13 0.23 0.00 0.00 176.35 176.50 1nji s ARG 19 N -0.90 2.39 -1.48 1.70 1.81 -1.26 -1.89 118.95 119.32 1nji s ARG 19 Ca 0.12 -0.86 -0.01 0.00 -1.72 0.00 0.00 55.73 53.26 1nji s ARG 19 Cb -0.10 -2.05 0.01 0.00 -0.45 0.00 0.00 34.95 32.36 1nji s ARG 19 CO 0.01 0.37 0.03 0.39 -0.68 0.00 0.00 175.30 175.42 1nji n GLU 20 N 2.95 -0.93 -2.58 3.54 1.02 -0.58 -4.87 120.64 119.19 1nji n GLU 20 Ca -0.17 0.09 -0.41 0.00 -0.02 0.00 0.00 57.16 56.64 1nji n GLU 20 Cb 0.52 -3.42 -0.04 0.00 -0.02 0.00 0.00 31.44 28.48 1nji n GLU 20 CO 0.00 0.00 0.00 1.03 1.18 0.00 0.00 177.13 179.34 1nji s ARG 21 N -7.12 4.63 -0.75 3.49 1.81 0.34 -4.51 118.95 116.82 1nji s ARG 21 Ca 0.04 1.64 -0.20 0.00 -1.72 0.00 0.00 55.73 55.48 1nji s ARG 21 Cb -0.02 -3.31 0.10 0.00 -0.45 0.00 0.00 34.95 31.27 1nji s ARG 21 CO 0.94 0.12 0.99 -0.65 -0.68 0.00 0.00 175.30 176.02 1nji s GLN 22 N -0.26 3.29 0.24 3.54 -0.21 -1.26 0.80 119.66 125.80 1nji s GLN 22 Ca 0.49 -1.27 -0.22 0.00 0.02 0.00 0.00 55.36 54.38 1nji s GLN 22 Cb -0.28 -4.50 0.03 0.00 1.00 0.00 0.00 33.01 29.27 1nji s GLN 22 CO 0.33 -1.76 0.73 0.00 -2.12 0.00 0.00 175.29 172.47 1nji s MET 23 N 3.31 1.63 0.09 2.91 0.23 -1.22 -5.03 119.30 121.23 1nji s MET 23 Ca 0.24 -0.86 -0.31 0.00 -1.03 0.00 0.00 55.69 53.74 1nji s MET 23 Cb -0.13 0.58 -0.09 0.00 -1.53 0.00 0.00 34.83 33.66 1nji s MET 23 CO 0.02 -0.74 1.80 0.45 -2.03 0.00 0.00 175.02 174.51 1nji s SER 24 N -2.89 6.48 0.17 -1.18 0.15 -1.26 -4.53 113.70 110.65 1nji s SER 24 Ca 0.09 2.66 -0.01 0.00 0.70 0.00 0.00 55.95 59.40 1nji s SER 24 Cb -0.05 -2.56 0.04 0.00 -1.71 0.00 0.00 66.02 61.75 1nji s SER 24 CO 0.03 -0.98 1.42 0.15 1.20 0.00 0.00 173.24 175.06 1nji h PHE 25 N 8.81 0.50 -0.27 3.44 3.57 -1.95 -2.74 116.94 128.30 1nji h PHE 25 Ca -0.45 -0.23 -0.09 0.00 3.53 0.00 0.00 57.97 60.72 1nji h PHE 25 Cb 1.21 -0.07 -0.01 0.00 2.79 0.00 0.00 35.95 39.87 1nji h PHE 25 CO 0.81 1.00 -0.23 0.87 -2.23 0.00 0.00 178.31 178.53 1nji h LYS 26 N 0.24 0.51 -0.02 1.11 1.57 -2.01 -2.14 116.57 115.82 1nji h LYS 26 Ca -0.04 -0.19 -0.14 0.00 -1.87 0.00 0.00 60.65 58.41 1nji h LYS 26 Cb 1.35 -0.03 -0.02 0.00 0.08 0.00 0.00 32.23 33.61 1nji h LYS 26 CO 0.13 0.71 -0.64 0.45 -0.57 0.00 0.00 179.45 179.53 1nji h HIS 27 N 0.46 0.12 -0.27 -1.35 3.86 -1.93 -3.15 115.15 112.88 1nji h HIS 27 Ca 0.07 -0.05 -0.07 0.00 -1.16 0.00 0.00 60.37 59.16 1nji h HIS 27 Cb 0.65 -0.02 -0.01 0.00 1.06 0.00 0.00 27.41 29.09 1nji h HIS 27 CO 0.02 0.70 -0.12 0.77 0.86 0.00 0.00 177.93 180.16 1nji h SER 28 N 0.06 0.56 -0.79 2.45 0.02 -1.13 -1.64 113.55 113.10 1nji h SER 28 Ca -0.01 -0.40 0.05 0.00 -0.84 0.00 0.00 61.79 60.59 1nji h SER 28 Cb 1.14 -0.16 -0.05 0.00 0.14 0.00 0.00 62.40 63.47 1nji h SER 28 CO 0.09 0.84 0.49 0.11 -1.14 0.00 0.00 176.83 177.22 1nji h LYS 29 N 0.29 0.89 0.04 3.45 1.57 -1.41 0.57 116.57 121.98 1nji h LYS 29 Ca 0.06 -0.05 -0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1nji h LYS 29 Cb 0.62 -0.20 0.00 0.00 0.08 0.00 0.00 32.23 32.73 1nji h LYS 29 CO 0.04 0.59 -0.02 0.00 -0.57 0.00 0.00 179.45 179.49 1nji h ALA 30 N 1.36 -0.05 0.17 3.86 0.00 -1.49 0.38 119.26 123.48 1nji h ALA 30 Ca 0.33 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 55.19 1nji h ALA 30 Cb 0.09 0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.91 1nji h ALA 30 CO -0.14 -0.50 -0.08 0.82 0.00 0.00 0.00 179.25 179.35 1nji h ILE 31 N -0.12 0.88 0.14 0.00 2.04 -0.88 -0.54 117.51 119.03 1nji h ILE 31 Ca -0.01 -0.18 0.01 0.00 1.00 0.00 0.00 64.86 65.69 1nji h ILE 31 Cb 0.10 0.99 -0.05 0.00 -0.74 0.00 0.00 36.82 37.12 1nji h ILE 31 CO 0.01 0.04 -0.52 0.00 0.00 0.00 0.00 178.15 177.68 1nji h ALA 32 N 0.51 -1.01 -0.93 1.87 0.00 -0.83 -1.21 119.26 117.67 1nji h ALA 32 Ca -0.02 -0.12 0.18 0.00 0.00 0.00 0.00 54.91 54.95 1nji h ALA 32 Cb 0.24 0.89 -0.17 0.00 0.00 0.00 0.00 17.79 18.75 1nji h ALA 32 CO 0.04 -1.13 -0.25 -0.09 0.00 0.00 0.00 179.25 177.82 1nji h ARG 33 N -0.76 -0.00 -0.17 0.00 2.43 -0.74 -1.56 114.38 113.58 1nji h ARG 33 Ca -0.01 0.00 -0.11 0.00 -0.81 0.00 0.00 59.98 59.05 1nji h ARG 33 Cb 0.76 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 30.30 1nji h ARG 33 CO -0.28 -0.00 -0.39 1.49 -1.51 0.00 0.00 179.97 179.29 1nji h GLU 34 N -0.00 0.38 -0.00 0.20 4.57 0.02 -3.28 114.58 116.47 1nji h GLU 34 Ca 0.43 -0.18 0.00 0.00 -1.18 0.00 0.00 59.36 58.43 1nji h GLU 34 Cb 0.67 -0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.25 1nji h GLU 34 CO -0.95 0.71 -0.60 0.44 -1.18 0.00 0.00 179.01 177.43 1nji n ILE 35 N -4.04 0.00 -1.79 2.32 -5.35 -0.61 -4.88 119.36 105.01 1nji n ILE 35 Ca -0.01 -0.02 -0.41 0.00 -0.27 0.00 0.00 62.75 62.04 1nji n ILE 35 Cb 0.48 0.48 -0.00 0.00 -1.74 0.00 0.00 39.64 38.86 1nji n ILE 35 CO 0.00 0.00 0.00 -0.75 -1.76 0.00 0.00 176.55 174.04 1nji s LYS 36 N -2.94 4.10 0.00 6.28 2.20 -0.88 -1.53 119.74 126.97 1nji s LYS 36 Ca 0.12 2.59 0.00 0.00 -0.36 0.00 0.00 55.97 58.31 1nji s LYS 36 Cb 0.17 -2.97 0.00 0.00 -1.51 0.00 0.00 37.83 33.52 1nji s LYS 36 CO 0.72 -0.57 0.00 0.41 -0.36 0.00 0.00 175.35 175.56 1nji n GLY 37 N 0.78 2.76 3.89 5.54 0.00 -0.63 -5.01 105.19 112.51 1nji n GLY 37 Ca 0.02 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.75 1nji n GLY 37 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1nji s LYS 38 N -0.51 1.81 0.04 1.61 1.02 -0.58 -4.62 119.74 118.50 1nji s LYS 38 Ca 0.00 0.12 -0.19 0.00 0.02 0.00 0.00 55.97 55.91 1nji s LYS 38 Cb 0.00 -1.93 -0.06 0.00 -0.52 0.00 0.00 37.83 35.32 1nji s LYS 38 CO 0.00 -1.71 0.57 0.99 -0.92 0.00 0.00 175.35 174.28 1nji s THR 39 N -3.55 4.82 0.24 2.17 2.01 -1.26 -0.58 115.64 119.49 1nji s THR 39 Ca 0.63 1.20 -0.12 0.00 0.31 0.00 0.00 61.69 63.71 1nji s THR 39 Cb -0.11 -3.90 0.33 0.00 0.01 0.00 0.00 72.50 68.83 1nji s THR 39 CO 0.50 0.50 1.45 0.00 -0.69 0.00 0.00 174.62 176.38 1nji n ALA 40 N 2.13 0.07 -0.26 7.40 0.00 0.21 0.91 120.51 130.96 1nji n ALA 40 Ca -0.09 0.98 -0.02 0.00 0.00 0.00 0.00 53.44 54.31 1nji n ALA 40 Cb 0.51 -0.52 0.16 0.00 0.00 0.00 0.00 19.45 19.60 1nji n ALA 40 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 1nji h GLY 41 N 0.00 1.18 0.98 0.00 0.00 -1.52 -1.40 103.07 102.32 1nji h GLY 41 Ca 0.39 -0.51 -0.04 0.00 0.00 0.00 0.00 47.33 47.17 1nji h GLY 41 CO -0.95 0.50 0.19 0.83 0.00 0.00 0.00 176.54 177.11 1nji h GLU 42 N 1.11 0.83 -0.16 4.80 5.08 0.27 -1.67 114.58 124.84 1nji h GLU 42 Ca 0.28 -0.17 0.04 0.00 -1.00 0.00 0.00 59.36 58.52 1nji h GLU 42 Cb 0.00 -0.13 -0.04 0.00 0.50 0.00 0.00 28.75 29.09 1nji h GLU 42 CO -0.05 0.74 -0.10 0.00 -1.00 0.00 0.00 179.01 178.61 1nji h ALA 43 N 1.04 0.03 0.02 3.43 0.00 -0.11 0.12 119.26 123.80 1nji h ALA 43 Ca 0.18 0.06 0.01 0.00 0.00 0.00 0.00 54.91 55.16 1nji h ALA 43 Cb 0.25 0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.25 1nji h ALA 43 CO -0.01 -0.54 -0.06 0.28 0.00 0.00 0.00 179.25 178.93 1nji h VAL 44 N -0.09 0.86 -1.00 0.00 2.07 -1.04 0.09 116.25 117.13 1nji h VAL 44 Ca 0.09 0.00 0.05 0.00 0.82 0.00 0.00 66.70 67.66 1nji h VAL 44 Cb 0.23 0.86 -0.06 0.00 -1.52 0.00 0.00 31.29 30.80 1nji h VAL 44 CO -0.22 0.00 0.65 0.44 0.02 0.00 0.00 177.57 178.46 1nji h ASP 45 N -0.11 1.06 0.37 0.57 3.32 -0.92 -1.46 116.42 119.25 1nji h ASP 45 Ca 0.02 0.00 -0.02 0.00 0.02 0.00 0.00 57.03 57.05 1nji h ASP 45 Cb 0.13 -0.23 0.00 0.00 0.22 0.00 0.00 39.33 39.45 1nji h ASP 45 CO -0.04 0.70 -0.18 0.22 -1.72 0.00 0.00 179.24 178.21 1nji h TYR 46 N 1.21 -0.47 -0.11 4.55 3.20 -0.10 -2.28 116.97 122.98 1nji h TYR 46 Ca 0.42 -0.01 -0.01 0.00 3.14 0.00 0.00 58.73 62.26 1nji h TYR 46 Cb 0.09 0.15 -0.01 0.00 1.54 0.00 0.00 36.73 38.51 1nji h TYR 46 CO -0.00 -0.29 0.02 -0.07 -1.64 0.00 0.00 178.16 176.18 1nji h LEU 47 N -0.51 0.13 -0.67 2.82 3.38 -0.69 -1.02 115.31 118.75 1nji h LEU 47 Ca -0.05 -0.01 -0.14 0.00 0.09 0.00 0.00 57.88 57.77 1nji h LEU 47 Cb 0.39 -0.03 -0.02 0.00 0.09 0.00 0.00 40.66 41.09 1nji h LEU 47 CO 0.08 0.14 -0.66 -0.33 0.09 0.00 0.00 178.44 177.77 1nji h GLU 48 N 0.15 0.03 -0.06 1.13 5.08 -1.04 -1.02 114.58 118.84 1nji h GLU 48 Ca 0.04 -0.02 -0.13 0.00 -1.00 0.00 0.00 59.36 58.24 1nji h GLU 48 Cb 0.07 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.31 1nji h GLU 48 CO -0.00 0.68 -0.57 0.00 -1.00 0.00 0.00 179.01 178.12 1nji h ALA 49 N 1.32 0.94 0.16 3.43 0.00 -0.64 -0.32 119.26 124.14 1nji h ALA 49 Ca -0.01 -0.52 -0.01 0.00 0.00 0.00 0.00 54.91 54.38 1nji h ALA 49 Cb 1.17 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.87 1nji h ALA 49 CO 0.09 0.70 -0.08 0.28 0.00 0.00 0.00 179.25 180.25 1nji h VAL 50 N 0.14 0.97 -0.91 0.00 2.07 -1.00 0.40 116.25 117.93 1nji h VAL 50 Ca -0.00 -0.75 0.09 0.00 0.82 0.00 0.00 66.70 66.86 1nji h VAL 50 Cb 1.04 1.42 -0.07 0.00 -1.52 0.00 0.00 31.29 32.17 1nji h VAL 50 CO 0.08 0.17 0.59 0.40 0.02 0.00 0.00 177.57 178.83 1nji h ILE 51 N -0.59 0.98 0.00 4.57 2.04 -1.05 0.26 117.51 123.72 1nji h ILE 51 Ca -0.02 -0.32 -0.06 0.00 1.00 0.00 0.00 64.86 65.45 1nji h ILE 51 Cb 0.45 -0.03 -0.01 0.00 -0.74 0.00 0.00 36.82 36.48 1nji h ILE 51 CO 0.04 0.17 -0.30 -0.08 0.00 0.00 0.00 178.15 177.98 1nji h GLU 52 N 0.94 0.00 0.00 2.37 4.57 -0.86 -3.47 114.58 118.13 1nji h GLU 52 Ca 0.42 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.60 1nji h GLU 52 Cb 0.37 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.96 1nji h GLU 52 CO -0.18 0.30 0.00 0.41 -1.18 0.00 0.00 179.01 178.36 1nji n GLY 53 N 0.15 0.79 0.01 1.92 0.00 0.91 -4.95 105.19 104.02 1nji n GLY 53 Ca -0.00 -0.23 0.11 0.00 0.00 0.00 0.00 46.02 45.89 1nji n GLY 53 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1nji n ASP 54 N 0.42 0.66 -3.86 1.61 8.00 0.11 -4.86 116.55 118.64 1nji n ASP 54 Ca 0.00 -0.53 -0.26 0.00 0.71 0.00 0.00 54.79 54.71 1nji n ASP 54 Cb 0.00 1.09 -0.17 0.00 -0.02 0.00 0.00 41.12 42.02 1nji n ASP 54 CO 0.00 0.00 0.00 -1.58 -0.39 0.00 0.00 177.20 175.23 1nji s GLN 55 N -3.16 1.21 0.16 -1.24 2.00 -0.97 -4.96 119.66 112.70 1nji s GLN 55 Ca 0.04 -0.22 -0.20 0.00 -2.00 0.00 0.00 55.36 52.98 1nji s GLN 55 Cb 0.15 -1.54 -0.08 0.00 0.80 0.00 0.00 33.01 32.35 1nji s GLN 55 CO 0.85 -0.33 0.66 -1.25 -0.50 0.00 0.00 175.29 174.72 1nji s PRO 56 N 1.77 4.26 -0.24 1.67 0.04 -1.26 -3.88 135.00 137.36 1nji s PRO 56 Ca 0.04 0.83 -0.17 0.00 0.04 0.00 0.00 61.00 61.74 1nji s PRO 56 Cb -0.13 -3.06 -0.03 0.00 0.04 0.00 0.00 34.50 31.32 1nji s PRO 56 CO -0.07 0.51 0.48 0.08 0.04 0.00 0.00 177.00 178.03 1nji s VAL 57 N -1.33 5.11 0.18 -0.36 1.01 0.40 -4.86 120.40 120.55 1nji s VAL 57 Ca 0.37 0.82 -0.32 0.00 0.00 0.00 0.00 61.98 62.86 1nji s VAL 57 Cb -0.18 -3.80 -0.11 0.00 0.00 0.00 0.00 36.38 32.29 1nji s VAL 57 CO 0.21 0.14 1.71 -2.84 0.00 0.00 0.00 175.10 174.32 1nji s PRO 58 N 2.01 4.15 -0.70 2.72 0.02 -1.26 -1.48 135.00 140.46 1nji s PRO 58 Ca 0.20 2.55 -0.07 0.00 0.02 0.00 0.00 61.00 63.70 1nji s PRO 58 Cb -0.15 -3.22 0.18 0.00 0.02 0.00 0.00 34.50 31.33 1nji s PRO 58 CO 0.09 -0.74 0.57 -0.06 -0.33 0.00 0.00 177.00 176.53 1nji s PHE 59 N 1.56 3.55 -0.04 6.54 2.99 0.19 -4.84 117.98 127.91 1nji s PHE 59 Ca 0.75 -2.40 0.13 0.00 0.00 0.00 0.00 56.93 55.41 1nji s PHE 59 Cb -0.47 -3.46 -0.16 0.00 0.00 0.00 0.00 43.02 38.93 1nji s PHE 59 CO 0.33 -0.90 0.96 0.87 -0.00 0.00 0.00 175.22 176.47 1nji h LYS 60 N 7.37 0.00 0.00 0.44 1.57 -1.92 -3.40 116.57 120.64 1nji h LYS 60 Ca 0.02 0.00 -0.34 0.00 -1.87 0.00 0.00 60.65 58.46 1nji h LYS 60 Cb 0.99 0.00 -0.05 0.00 0.08 0.00 0.00 32.23 33.25 1nji h LYS 60 CO 0.74 0.55 -2.16 0.94 -0.57 0.00 0.00 179.45 178.95 1nji n GLN 61 N -3.09 0.45 -2.90 3.15 7.27 -1.26 -4.75 117.38 116.24 1nji n GLN 61 Ca -0.08 0.18 -0.43 0.00 0.07 0.00 0.00 57.00 56.74 1nji n GLN 61 Cb 0.92 -1.26 0.01 0.00 2.41 0.00 0.00 30.24 32.32 1nji n GLN 61 CO 0.00 0.00 0.00 0.72 0.07 0.00 0.00 177.06 177.85 1nji n HIS 62 N -3.82 2.31 -0.18 3.69 8.25 -1.26 -4.72 115.22 119.48 1nji n HIS 62 Ca -0.40 -2.59 0.03 0.00 -0.26 0.00 0.00 57.72 54.50 1nji n HIS 62 Cb 0.80 -1.34 0.08 0.00 1.12 0.00 0.00 29.99 30.65 1nji n HIS 62 CO 0.00 0.00 0.00 0.27 0.64 0.00 0.00 176.34 177.25 1nji n ASN 63 N 1.61 2.49 -4.68 0.41 6.94 -1.26 -4.96 115.26 115.81 1nji n ASN 63 Ca 0.28 -2.11 -0.45 0.00 -0.02 0.00 0.00 54.58 52.29 1nji n ASN 63 Cb 0.33 -0.15 -0.04 0.00 -2.36 0.00 0.00 39.78 37.57 1nji n ASN 63 CO 0.00 0.00 0.00 -1.54 -1.03 0.00 0.00 177.26 174.69 1nji n SER 64 N -0.13 3.75 0.00 0.53 3.41 -1.26 -1.16 113.62 118.76 1nji n SER 64 Ca 0.07 0.98 0.00 0.00 -0.26 0.00 0.00 58.87 59.66 1nji n SER 64 Cb 0.38 -1.47 0.00 0.00 -0.26 0.00 0.00 64.21 62.85 1nji n SER 64 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1nji n GLY 65 N 4.23 0.99 3.72 5.00 0.00 -1.26 -4.99 105.19 112.88 1nji n GLY 65 Ca 0.20 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.80 1nji n GLY 65 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1nji s VAL 66 N -3.55 4.10 0.47 1.61 1.01 -0.31 -5.00 120.40 118.73 1nji s VAL 66 Ca 0.00 1.62 -0.20 0.00 0.00 0.00 0.00 61.98 63.39 1nji s VAL 66 Cb 0.00 -4.04 -0.09 0.00 0.00 0.00 0.00 36.38 32.25 1nji s VAL 66 CO 0.00 0.19 1.01 -0.83 0.00 0.00 0.00 175.10 175.47 1nji s GLY 67 N 0.59 2.46 0.55 4.51 0.00 -1.26 -4.79 107.32 109.38 1nji s GLY 67 Ca 0.54 0.54 -0.19 0.00 0.00 0.00 0.00 44.72 45.60 1nji s GLY 67 CO 0.31 0.84 1.16 0.30 0.00 0.00 0.00 173.10 175.71 1nji s HIS 68 N -2.06 2.60 -0.10 1.90 0.09 -1.26 -3.43 115.29 113.04 1nji s HIS 68 Ca 0.66 1.53 0.01 0.00 -0.00 0.00 0.00 55.06 57.26 1nji s HIS 68 Cb -0.14 -3.36 0.02 0.00 -0.00 0.00 0.00 32.58 29.10 1nji s HIS 68 CO 0.18 -1.77 -0.13 0.15 -0.00 0.00 0.00 174.74 173.17 1nji s LYS 69 N -3.26 1.99 0.41 1.40 -0.14 0.42 -4.87 119.74 115.70 1nji s LYS 69 Ca 0.74 -0.48 0.09 0.00 -1.36 0.00 0.00 55.97 54.96 1nji s LYS 69 Cb -0.26 -1.74 0.89 0.00 -1.68 0.00 0.00 37.83 35.04 1nji s LYS 69 CO 0.29 -0.08 2.01 0.66 -0.76 0.00 0.00 175.35 177.47 1nji h SER 70 N 7.46 0.48 0.81 2.83 4.64 -1.96 -2.25 113.55 125.55 1nji h SER 70 Ca -0.31 -0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.01 1nji h SER 70 Cb 1.17 -0.11 0.00 0.00 -0.31 0.00 0.00 62.40 63.15 1nji h SER 70 CO 0.47 0.32 0.00 0.29 -0.87 0.00 0.00 176.83 177.04 1nji n LYS 71 N -4.47 0.02 -2.45 4.77 5.02 -1.26 -4.72 118.16 115.07 1nji n LYS 71 Ca 0.07 0.13 -0.42 0.00 -2.02 0.00 0.00 58.31 56.07 1nji n LYS 71 Cb 0.20 -1.53 -0.03 0.00 -0.02 0.00 0.00 35.03 33.65 1nji n LYS 71 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1nji s VAL 72 N -3.02 4.21 -0.18 -0.18 1.01 -0.85 -4.96 120.40 116.43 1nji s VAL 72 Ca 0.11 1.55 -0.07 0.00 0.00 0.00 0.00 61.98 63.57 1nji s VAL 72 Cb 0.14 -4.00 -0.04 0.00 0.00 0.00 0.00 36.38 32.49 1nji s VAL 72 CO 0.42 0.02 0.05 -0.62 0.00 0.00 0.00 175.10 174.97 1nji s ASP 73 N 1.42 5.46 -0.02 3.32 2.15 -1.26 -4.35 116.67 123.39 1nji s ASP 73 Ca 0.57 0.03 0.00 0.00 0.43 0.00 0.00 52.55 53.57 1nji s ASP 73 Cb -0.26 -1.93 0.00 0.00 -0.30 0.00 0.00 42.92 40.43 1nji s ASP 73 CO 0.23 0.16 0.00 0.61 -0.17 0.00 0.00 175.17 176.00 1nji n GLY 74 N 3.62 0.43 3.78 2.66 0.00 -1.26 -4.95 105.19 109.46 1nji n GLY 74 Ca -0.17 -0.04 -0.09 0.00 0.00 0.00 0.00 46.02 45.72 1nji n GLY 74 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 1nji s TRP 75 N -1.84 0.19 0.00 1.61 -0.11 -1.26 -5.12 118.94 112.40 1nji s TRP 75 Ca 0.00 -0.79 0.00 0.00 1.22 0.00 0.00 56.10 56.53 1nji s TRP 75 Cb 0.00 0.72 0.00 0.00 -1.50 0.00 0.00 33.47 32.69 1nji s TRP 75 CO 0.00 -1.48 0.00 -0.40 -4.62 0.00 0.00 176.95 170.45 1nji n ASP 76 N -1.29 0.67 -4.73 5.86 5.68 -1.26 -4.74 116.55 116.73 1nji n ASP 76 Ca -0.07 0.00 -0.41 0.00 -0.50 0.00 0.00 54.79 53.81 1nji n ASP 76 Cb 0.60 0.00 -0.04 0.00 -1.14 0.00 0.00 41.12 40.54 1nji n ASP 76 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1nji s ALA 77 N -1.95 3.28 0.12 2.12 0.00 -1.26 -0.43 121.76 123.64 1nji s ALA 77 Ca 0.00 0.47 -0.24 0.00 0.00 0.00 0.00 51.96 52.19 1nji s ALA 77 Cb 0.00 -3.19 0.08 0.00 0.00 0.00 0.00 23.12 20.01 1nji s ALA 77 CO 0.00 -0.02 0.65 0.20 0.00 0.00 0.00 175.76 176.59 1nji s GLY 78 N 0.11 -0.59 0.16 0.00 0.00 -1.22 -0.64 107.32 105.14 1nji s GLY 78 Ca 0.45 0.61 0.02 0.00 0.00 0.00 0.00 44.72 45.80 1nji s GLY 78 CO 0.27 0.22 0.16 0.54 0.00 0.00 0.00 173.10 174.30 1nji n ARG 79 N -0.30 0.23 -3.37 2.90 1.74 -0.55 -4.77 116.66 112.54 1nji n ARG 79 Ca -0.16 -1.52 -0.27 0.00 -0.77 0.00 0.00 57.85 55.14 1nji n ARG 79 Cb 0.64 1.30 -0.08 0.00 -1.02 0.00 0.00 32.46 33.30 1nji n ARG 79 CO 0.00 0.00 0.00 0.66 -1.52 0.00 0.00 177.63 176.77 1nji n TYR 80 N -0.29 3.37 -1.67 -1.55 4.02 -1.26 -0.45 117.16 119.33 1nji n TYR 80 Ca 0.03 -4.10 -0.16 0.00 -0.01 0.00 0.00 57.90 53.65 1nji n TYR 80 Cb 0.29 -0.54 -0.09 0.00 -0.02 0.00 0.00 39.34 38.98 1nji n TYR 80 CO 0.00 0.00 0.00 -2.14 -1.01 0.00 0.00 176.86 173.71 1nji s PRO 81 N -2.46 1.51 0.18 -0.72 0.02 -1.26 -4.79 135.00 127.48 1nji s PRO 81 Ca 0.40 -0.20 -0.08 0.00 0.02 0.00 0.00 61.00 61.15 1nji s PRO 81 Cb 0.16 -4.95 0.07 0.00 0.02 0.00 0.00 34.50 29.80 1nji s PRO 81 CO -0.03 -4.91 1.58 1.05 -0.33 0.00 0.00 177.00 174.36 1nji h GLU 82 N 11.76 0.93 0.76 5.54 4.11 -1.92 -1.75 114.58 134.00 1nji h GLU 82 Ca 0.03 -0.39 -0.04 0.00 0.07 0.00 0.00 59.36 59.04 1nji h GLU 82 Cb 0.99 -0.03 0.01 0.00 0.50 0.00 0.00 28.75 30.22 1nji h GLU 82 CO 1.04 1.05 -0.37 -0.22 0.07 0.00 0.00 179.01 180.59 1nji h LYS 83 N 0.80 -0.98 -0.96 1.06 3.64 -2.00 0.63 116.57 118.76 1nji h LYS 83 Ca 0.11 0.07 0.08 0.00 -1.27 0.00 0.00 60.65 59.63 1nji h LYS 83 Cb 0.78 0.22 -0.07 0.00 -0.41 0.00 0.00 32.23 32.75 1nji h LYS 83 CO 0.06 -0.64 0.62 0.00 -2.27 0.00 0.00 179.45 177.22 1nji h ALA 84 N -0.89 1.49 -0.79 5.00 0.00 -1.93 -0.93 119.26 121.22 1nji h ALA 84 Ca -0.10 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.77 1nji h ALA 84 Cb 0.80 -0.27 -0.04 0.00 0.00 0.00 0.00 17.79 18.28 1nji h ALA 84 CO 0.17 0.34 0.40 0.77 0.00 0.00 0.00 179.25 180.94 1nji h SER 85 N 1.06 1.00 0.06 0.00 0.02 -1.05 -0.92 113.55 113.72 1nji h SER 85 Ca 0.43 -0.10 -0.12 0.00 -0.84 0.00 0.00 61.79 61.16 1nji h SER 85 Cb 0.26 -0.25 -0.01 0.00 0.14 0.00 0.00 62.40 62.54 1nji h SER 85 CO -0.18 0.82 -0.39 0.11 -1.14 0.00 0.00 176.83 176.06 1nji h LYS 86 N 1.11 0.43 -0.03 3.45 1.57 0.43 -1.56 116.57 121.96 1nji h LYS 86 Ca 0.27 -0.20 -0.12 0.00 -1.87 0.00 0.00 60.65 58.73 1nji h LYS 86 Cb 0.07 -0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.36 1nji h LYS 86 CO -0.04 0.75 -0.54 0.00 -0.57 0.00 0.00 179.45 179.05 1nji h ALA 87 N 1.23 1.05 -0.03 3.86 0.00 -0.60 -2.11 119.26 122.66 1nji h ALA 87 Ca 0.04 -0.49 -0.15 0.00 0.00 0.00 0.00 54.91 54.30 1nji h ALA 87 Cb 0.84 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.53 1nji h ALA 87 CO 0.07 0.68 -0.68 0.74 0.00 0.00 0.00 179.25 180.06 1nji h PHE 88 N 0.07 0.18 -0.36 0.00 -1.00 -0.82 -1.36 116.94 113.65 1nji h PHE 88 Ca -0.00 -0.08 -0.09 0.00 2.81 0.00 0.00 57.97 60.61 1nji h PHE 88 Cb 0.97 -0.03 -0.02 0.00 3.61 0.00 0.00 35.95 40.49 1nji h PHE 88 CO 0.01 0.77 -0.16 -0.07 -1.61 0.00 0.00 178.31 177.25 1nji h LEU 89 N 0.09 0.64 -0.48 1.54 3.38 -0.88 0.16 115.31 119.77 1nji h LEU 89 Ca -0.01 -0.20 -0.04 0.00 0.09 0.00 0.00 57.88 57.72 1nji h LEU 89 Cb 1.21 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 41.76 1nji h LEU 89 CO 0.10 0.82 0.13 0.44 0.09 0.00 0.00 178.44 180.02 1nji h ASP 90 N 0.59 0.71 -0.56 -0.43 5.19 -1.08 0.15 116.42 120.99 1nji h ASP 90 Ca 0.10 -0.22 0.01 0.00 -0.62 0.00 0.00 57.03 56.29 1nji h ASP 90 Cb 0.60 -0.19 -0.03 0.00 0.18 0.00 0.00 39.33 39.90 1nji h ASP 90 CO 0.04 0.74 0.37 0.25 -3.12 0.00 0.00 179.24 177.53 1nji h LEU 91 N 0.64 0.64 -0.68 1.55 5.85 -0.48 -1.84 115.31 121.00 1nji h LEU 91 Ca 0.15 -0.01 -0.14 0.00 0.84 0.00 0.00 57.88 58.72 1nji h LEU 91 Cb 0.30 -0.16 -0.01 0.00 0.37 0.00 0.00 40.66 41.16 1nji h LEU 91 CO -0.00 0.46 -0.56 -0.07 -0.34 0.00 0.00 178.44 177.93 1nji h LEU 92 N 0.76 0.33 -1.22 2.25 3.38 -0.44 -1.19 115.31 119.17 1nji h LEU 92 Ca 0.21 -0.18 -0.04 0.00 0.09 0.00 0.00 57.88 57.97 1nji h LEU 92 Cb -0.08 -0.09 -0.02 0.00 0.09 0.00 0.00 40.66 40.55 1nji h LEU 92 CO -0.05 0.82 0.13 -0.08 0.09 0.00 0.00 178.44 179.35 1nji h GLU 93 N 0.23 0.67 0.00 1.13 4.81 -0.31 -0.22 114.58 120.90 1nji h GLU 93 Ca 0.00 -0.11 -0.00 0.00 -0.13 0.00 0.00 59.36 59.12 1nji h GLU 93 Cb 1.05 -0.11 0.00 0.00 0.63 0.00 0.00 28.75 30.32 1nji h GLU 93 CO 0.09 0.60 -0.00 -0.97 -0.73 0.00 0.00 179.01 177.99 1nji h ASN 94 N 0.66 -0.01 0.26 1.04 -1.24 -1.05 -2.48 115.58 112.77 1nji h ASN 94 Ca 0.15 -0.72 0.00 0.00 0.71 0.00 0.00 56.30 56.45 1nji h ASN 94 Cb 0.21 0.00 -0.02 0.00 0.73 0.00 0.00 38.32 39.25 1nji h ASN 94 CO -0.01 0.72 -0.24 0.00 -1.29 0.00 0.00 177.43 176.61 1nji h ALA 95 N 0.24 -0.51 -0.52 1.57 0.00 -1.08 0.17 119.26 119.13 1nji h ALA 95 Ca -0.00 -0.08 0.05 0.00 0.00 0.00 0.00 54.91 54.88 1nji h ALA 95 Cb 0.72 0.34 -0.03 0.00 0.00 0.00 0.00 17.79 18.82 1nji h ALA 95 CO 0.00 -0.81 0.35 0.28 0.00 0.00 0.00 179.25 179.06 1nji h VAL 96 N -0.53 1.00 -0.28 0.00 2.07 -1.16 0.18 116.25 117.54 1nji h VAL 96 Ca -0.01 -0.17 -0.12 0.00 0.82 0.00 0.00 66.70 67.22 1nji h VAL 96 Cb 0.48 0.46 -0.00 0.00 -1.52 0.00 0.00 31.29 30.70 1nji h VAL 96 CO -0.04 0.09 -0.31 1.23 0.02 0.00 0.00 177.57 178.57 1nji h GLY 97 N 0.50 0.76 1.01 2.17 0.00 -0.89 -1.40 103.07 105.23 1nji h GLY 97 Ca 0.22 -0.80 -0.05 0.00 0.00 0.00 0.00 47.33 46.71 1nji h GLY 97 CO -0.06 0.72 0.22 3.43 0.00 0.00 0.00 176.54 180.85 1nji h ASN 98 N 0.44 0.90 -0.50 0.19 -0.26 0.28 -1.82 115.58 114.80 1nji h ASN 98 Ca 0.04 -0.19 0.07 0.00 -0.56 0.00 0.00 56.30 55.65 1nji h ASN 98 Cb 0.88 -0.23 -0.06 0.00 -1.06 0.00 0.00 38.32 37.85 1nji h ASN 98 CO 0.07 0.85 0.19 0.00 -1.06 0.00 0.00 177.43 177.48 1nji h ALA 99 N 1.08 0.62 -0.46 -0.83 0.00 -0.52 -2.52 119.26 116.64 1nji h ALA 99 Ca 0.21 0.06 -0.12 0.00 0.00 0.00 0.00 54.91 55.06 1nji h ALA 99 Cb 0.26 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.07 1nji h ALA 99 CO -0.01 -0.21 -0.18 -0.44 0.00 0.00 0.00 179.25 178.42 1nji h ASP 100 N 0.37 0.96 0.12 0.00 3.32 -0.97 -1.83 116.42 118.38 1nji h ASP 100 Ca 0.24 -0.39 0.00 0.00 0.02 0.00 0.00 57.03 56.90 1nji h ASP 100 Cb 0.25 -0.26 0.00 0.00 0.22 0.00 0.00 39.33 39.54 1nji h ASP 100 CO -0.24 1.13 0.00 1.57 -1.72 0.00 0.00 179.24 179.98 1nji n HIS 101 N -4.18 0.00 0.36 4.55 -0.00 -0.71 -0.96 115.22 114.28 1nji n HIS 101 Ca -0.00 0.00 0.05 0.00 0.46 0.00 0.00 57.72 58.23 1nji n HIS 101 Cb 0.43 -0.21 0.05 0.00 -0.12 0.00 0.00 29.99 30.13 1nji n HIS 101 CO 0.00 0.00 0.00 1.04 0.46 0.00 0.00 176.34 177.84 1nji n GLN 102 N -1.21 0.54 0.00 1.57 6.02 -0.86 -4.99 117.38 118.44 1nji n GLN 102 Ca 0.05 -1.15 0.00 0.00 -0.01 0.00 0.00 57.00 55.89 1nji n GLN 102 Cb 0.06 -1.19 0.00 0.00 1.02 0.00 0.00 30.24 30.13 1nji n GLN 102 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1nji n GLY 103 N 0.53 0.37 3.91 1.08 0.00 -0.14 -5.08 105.19 105.87 1nji n GLY 103 Ca 0.06 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.79 1nji n GLY 103 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1nji s PHE 104 N -2.10 2.47 -0.74 1.61 0.40 -0.75 -4.98 117.98 113.89 1nji s PHE 104 Ca 0.00 0.57 -0.15 0.00 -0.60 0.00 0.00 56.93 56.74 1nji s PHE 104 Cb 0.00 -3.68 0.18 0.00 0.51 0.00 0.00 43.02 40.03 1nji s PHE 104 CO 0.00 -2.05 0.72 0.34 0.70 0.00 0.00 175.22 174.93 1nji s ASP 105 N -4.68 6.54 0.06 1.36 2.15 -1.26 -4.16 116.67 116.67 1nji s ASP 105 Ca 0.66 -2.27 -0.13 0.00 0.43 0.00 0.00 52.55 51.24 1nji s ASP 105 Cb -0.08 -2.24 -0.04 0.00 -0.30 0.00 0.00 42.92 40.26 1nji s ASP 105 CO 0.50 -0.75 1.22 1.23 -0.17 0.00 0.00 175.17 177.20 1nji h GLY 106 N 8.53 -1.68 -0.09 2.66 0.00 -1.85 -2.67 103.07 107.97 1nji h GLY 106 Ca -0.04 0.85 0.23 0.00 0.00 0.00 0.00 47.33 48.37 1nji h GLY 106 CO 0.90 -0.52 0.57 0.83 0.00 0.00 0.00 176.54 178.32 1nji h GLU 107 N -0.12 0.58 0.00 4.80 5.08 -1.93 -0.81 114.58 122.18 1nji h GLU 107 Ca 0.04 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1nji h GLU 107 Cb 0.22 -0.13 0.00 0.00 0.50 0.00 0.00 28.75 29.34 1nji h GLU 107 CO -0.28 0.38 0.00 0.00 -1.00 0.00 0.00 179.01 178.12 1nji n ALA 108 N -2.34 2.16 -1.78 3.43 0.00 -1.02 -1.42 120.51 119.54 1nji n ALA 108 Ca 0.25 -0.10 -0.35 0.00 0.00 0.00 0.00 53.44 53.25 1nji n ALA 108 Cb 0.70 -1.39 -0.01 0.00 0.00 0.00 0.00 19.45 18.74 1nji n ALA 108 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 177.50 175.86 1nji s MET 109 N -2.83 3.51 0.09 0.00 -1.94 -0.31 -4.66 119.30 113.17 1nji s MET 109 Ca 0.16 1.51 -0.18 0.00 -1.71 0.00 0.00 55.69 55.47 1nji s MET 109 Cb 0.16 -2.04 -0.07 0.00 2.01 0.00 0.00 34.83 34.89 1nji s MET 109 CO 0.41 -0.70 0.57 0.99 -0.01 0.00 0.00 175.02 176.28 1nji s THR 110 N -1.87 4.76 -1.03 2.05 2.01 -0.11 -0.62 115.64 120.83 1nji s THR 110 Ca 0.71 1.14 -0.22 0.00 0.31 0.00 0.00 61.69 63.62 1nji s THR 110 Cb -0.21 -3.86 0.06 0.00 0.01 0.00 0.00 72.50 68.50 1nji s THR 110 CO 0.25 0.48 1.44 -0.63 -0.69 0.00 0.00 174.62 175.47 1nji s ILE 111 N -1.20 3.99 0.11 1.82 1.01 0.25 -0.40 121.20 126.79 1nji s ILE 111 Ca 0.31 -0.89 -0.17 0.00 0.00 0.00 0.00 60.65 59.91 1nji s ILE 111 Cb -0.18 -5.05 -0.04 0.00 0.01 0.00 0.00 42.46 37.20 1nji s ILE 111 CO 0.19 -1.91 1.59 0.50 0.00 0.00 0.00 174.94 175.31 1nji h LYS 112 N 9.60 0.55 -3.39 2.79 3.64 -1.25 -1.67 116.57 126.84 1nji h LYS 112 Ca 0.21 -0.14 -0.20 0.00 -1.27 0.00 0.00 60.65 59.25 1nji h LYS 112 Cb 1.00 -0.07 -0.27 0.00 -0.41 0.00 0.00 32.23 32.49 1nji h LYS 112 CO 1.41 0.62 -0.56 -1.58 -2.27 0.00 0.00 179.45 177.07 1nji s HIS 113 N -5.22 -0.15 -0.23 1.91 5.04 -1.06 -4.80 115.29 110.78 1nji s HIS 113 Ca -0.13 0.37 -0.10 0.00 -1.54 0.00 0.00 55.06 53.66 1nji s HIS 113 Cb 0.09 0.04 0.09 0.00 0.04 0.00 0.00 32.58 32.84 1nji s HIS 113 CO 0.76 -0.08 0.52 0.54 -2.34 0.00 0.00 174.74 174.14 1nji s VAL 114 N 0.14 -0.37 -0.16 0.89 0.11 -1.26 -0.07 120.40 119.68 1nji s VAL 114 Ca -0.01 0.08 -0.22 0.00 -2.93 0.00 0.00 61.98 58.90 1nji s VAL 114 Cb -0.02 -0.79 0.06 0.00 -1.53 0.00 0.00 36.38 34.10 1nji s VAL 114 CO -0.00 0.03 0.58 0.00 -3.33 0.00 0.00 175.10 172.38 1nji s ALA 115 N 2.06 -1.45 0.02 1.54 0.00 -0.86 -4.76 121.76 118.30 1nji s ALA 115 Ca -0.07 1.45 0.01 0.00 0.00 0.00 0.00 51.96 53.34 1nji s ALA 115 Cb -0.09 -0.65 -0.04 0.00 0.00 0.00 0.00 23.12 22.34 1nji s ALA 115 CO -0.16 -0.30 0.08 0.00 0.00 0.00 0.00 175.76 175.39 1nji s ALA 116 N -0.19 3.58 -0.03 0.00 0.00 -1.26 -1.56 121.76 122.30 1nji s ALA 116 Ca -0.04 -0.91 0.00 0.00 0.00 0.00 0.00 51.96 51.01 1nji s ALA 116 Cb -0.03 -1.54 0.03 0.00 0.00 0.00 0.00 23.12 21.58 1nji s ALA 116 CO 0.03 0.71 0.01 -1.01 0.00 0.00 0.00 175.76 175.50 1nji s HIS 117 N -1.25 0.25 -0.41 0.00 3.76 -0.18 -4.93 115.29 112.53 1nji s HIS 117 Ca 0.25 0.03 -0.29 0.00 -0.15 0.00 0.00 55.06 54.90 1nji s HIS 117 Cb -0.12 -0.38 0.02 0.00 1.11 0.00 0.00 32.58 33.21 1nji s HIS 117 CO 0.16 -0.12 1.25 0.21 -0.85 0.00 0.00 174.74 175.38 1nji s LYS 118 N 1.06 3.74 0.00 1.40 2.20 -1.26 -1.38 119.74 125.50 1nji s LYS 118 Ca -0.09 0.85 0.25 0.00 -0.36 0.00 0.00 55.97 56.62 1nji s LYS 118 Cb -0.13 -3.92 0.55 0.00 -1.51 0.00 0.00 37.83 32.82 1nji s LYS 118 CO -0.02 -1.35 1.44 0.28 -0.36 0.00 0.00 175.35 175.34 1nji n VAL 119 N 6.71 0.00 -2.52 4.02 0.31 0.22 -4.98 118.33 122.09 1nji n VAL 119 Ca 0.14 -0.11 0.00 0.00 -0.01 0.00 0.00 64.34 64.36 1nji n VAL 119 Cb 0.48 0.51 0.00 0.00 -0.91 0.00 0.00 33.84 33.92 1nji n VAL 119 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1nji n GLY 120 N 1.39 -1.16 2.89 2.92 0.00 -1.21 -4.96 105.19 105.07 1nji n GLY 120 Ca 0.10 -1.39 -0.18 0.00 0.00 0.00 0.00 46.02 44.55 1nji n GLY 120 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1nji s GLU 121 N -1.96 0.58 -0.50 1.61 2.02 -1.26 0.08 118.70 119.27 1nji s GLU 121 Ca 0.00 -0.08 -0.29 0.00 0.02 0.00 0.00 54.97 54.63 1nji s GLU 121 Cb 0.00 -0.63 0.02 0.00 0.10 0.00 0.00 34.13 33.63 1nji s GLU 121 CO 0.00 -0.04 1.23 -1.14 0.02 0.00 0.00 175.26 175.33 1nji s GLN 122 N 0.67 3.59 0.27 1.61 0.74 0.13 -4.86 119.66 121.80 1nji s GLN 122 Ca -0.08 0.53 -0.29 0.00 0.05 0.00 0.00 55.36 55.57 1nji s GLN 122 Cb -0.11 -3.98 -0.10 0.00 1.10 0.00 0.00 33.01 29.92 1nji s GLN 122 CO -0.00 -1.56 1.25 -0.65 -0.55 0.00 0.00 175.29 173.78 1nji s GLN 123 N 4.80 4.44 0.10 1.67 -0.21 -1.26 -1.55 119.66 127.65 1nji s GLN 123 Ca 0.49 2.05 0.02 0.00 0.02 0.00 0.00 55.36 57.95 1nji s GLN 123 Cb -0.09 -3.15 -0.04 0.00 1.00 0.00 0.00 33.01 30.74 1nji s GLN 123 CO 0.30 -0.11 -0.07 0.20 -2.12 0.00 0.00 175.29 173.48 1nji s GLY 124 N -0.28 0.78 -0.05 3.09 0.00 -1.10 -4.93 107.32 104.84 1nji s GLY 124 Ca 0.51 -1.30 0.03 0.00 0.00 0.00 0.00 44.72 43.95 1nji s GLY 124 CO 0.45 -1.40 -0.11 -1.60 0.00 0.00 0.00 173.10 170.43 1nji s ARG 125 N -3.56 1.40 -0.23 2.90 6.06 -1.26 -0.52 118.95 123.74 1nji s ARG 125 Ca 0.10 -0.39 0.02 0.00 -2.50 0.00 0.00 55.73 52.96 1nji s ARG 125 Cb 0.03 -1.22 0.04 0.00 0.06 0.00 0.00 34.95 33.87 1nji s ARG 125 CO -0.04 0.09 -0.13 0.21 -2.50 0.00 0.00 175.30 172.93 1nji s LYS 126 N 0.41 2.54 0.35 5.12 2.47 0.50 -4.83 119.74 126.30 1nji s LYS 126 Ca -0.09 -1.15 -0.28 0.00 -1.56 0.00 0.00 55.97 52.90 1nji s LYS 126 Cb -0.13 -2.80 -0.12 0.00 -1.46 0.00 0.00 37.83 33.32 1nji s LYS 126 CO 0.02 -0.44 1.32 -2.30 0.16 0.00 0.00 175.35 174.11 1nji n PRO 127 N 4.52 2.21 -4.58 4.03 -0.02 -1.26 -2.04 135.00 137.85 1nji n PRO 127 Ca -0.16 0.77 -0.27 0.00 -2.02 0.00 0.00 63.50 61.82 1nji n PRO 127 Cb 0.45 -2.38 -0.09 0.00 -0.02 0.00 0.00 33.50 31.46 1nji n PRO 127 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 1nji s ARG 128 N -1.89 1.95 0.74 -0.52 1.81 0.33 -4.89 118.95 116.47 1nji s ARG 128 Ca 0.55 -2.18 -0.11 0.00 -1.72 0.00 0.00 55.73 52.28 1nji s ARG 128 Cb -0.56 -1.05 0.04 0.00 -0.45 0.00 0.00 34.95 32.93 1nji s ARG 128 CO 0.62 -0.33 1.08 0.00 -0.68 0.00 0.00 175.30 175.99 1nji s ALA 129 N -3.08 2.42 -0.66 2.13 0.00 -1.26 -3.56 121.76 117.75 1nji s ALA 129 Ca 0.23 0.20 0.00 0.00 0.00 0.00 0.00 51.96 52.39 1nji s ALA 129 Cb 0.04 -3.24 0.00 0.00 0.00 0.00 0.00 23.12 19.93 1nji s ALA 129 CO 0.12 -1.55 0.00 -1.33 0.00 0.00 0.00 175.76 173.00 1nji n MET 130 N -3.35 -0.53 -1.81 0.00 2.81 -1.26 -3.49 117.12 109.49 1nji n MET 130 Ca 0.08 0.52 -0.13 0.00 -1.81 0.00 0.00 57.70 56.36 1nji n MET 130 Cb 0.53 -4.36 -0.03 0.00 -0.71 0.00 0.00 33.22 28.65 1nji n MET 130 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1nji n GLY 131 N -1.49 0.58 3.30 3.03 0.00 -1.25 -5.02 105.19 104.35 1nji n GLY 131 Ca -0.08 -0.40 -0.26 0.00 0.00 0.00 0.00 46.02 45.29 1nji n GLY 131 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1nji s ARG 132 N -3.87 1.28 0.28 1.61 3.52 -1.23 -5.00 118.95 115.54 1nji s ARG 132 Ca 0.00 -1.14 0.11 0.00 -0.13 0.00 0.00 55.73 54.58 1nji s ARG 132 Cb 0.00 -1.54 -0.05 0.00 -1.56 0.00 0.00 34.95 31.80 1nji s ARG 132 CO 0.00 0.37 -0.16 0.00 -0.81 0.00 0.00 175.30 174.70 1nji s ALA 133 N -1.03 2.83 0.19 6.12 0.00 -1.26 0.12 121.76 128.72 1nji s ALA 133 Ca 0.08 -1.87 -0.02 0.00 0.00 0.00 0.00 51.96 50.16 1nji s ALA 133 Cb -0.10 -0.32 -0.04 0.00 0.00 0.00 0.00 23.12 22.67 1nji s ALA 133 CO 0.04 0.26 0.14 -1.54 0.00 0.00 0.00 175.76 174.66 1nji s SER 134 N -3.54 0.16 0.54 0.00 1.04 -0.87 -4.89 113.70 106.14 1nji s SER 134 Ca 0.30 -1.33 -0.21 0.00 0.48 0.00 0.00 55.95 55.19 1nji s SER 134 Cb -0.05 0.38 -0.05 0.00 0.10 0.00 0.00 66.02 66.40 1nji s SER 134 CO 0.16 -0.84 1.27 0.00 0.98 0.00 0.00 173.24 174.81 1nji s ALA 135 N -4.13 2.79 -0.46 5.32 0.00 -1.26 -0.37 121.76 123.64 1nji s ALA 135 Ca 0.36 1.16 0.06 0.00 0.00 0.00 0.00 51.96 53.53 1nji s ALA 135 Cb 0.07 -3.49 0.22 0.00 0.00 0.00 0.00 23.12 19.91 1nji s ALA 135 CO 0.10 -1.15 0.67 1.87 0.00 0.00 0.00 175.76 177.25 1nji n TRP 136 N -1.03 -2.27 -3.38 0.00 -0.00 0.32 -4.64 117.44 106.44 1nji n TRP 136 Ca 0.10 -2.40 -0.19 0.00 -0.00 0.00 0.00 57.50 55.01 1nji n TRP 136 Cb 0.47 0.83 -0.00 0.00 -0.00 0.00 0.00 31.31 32.60 1nji n TRP 136 CO 0.00 0.00 0.00 -0.80 -0.00 0.00 0.00 177.69 176.89 1nji s ASN 137 N -0.72 5.92 -0.11 5.87 0.01 -1.26 -2.71 114.94 121.94 1nji s ASN 137 Ca 0.33 -0.19 0.03 0.00 -0.71 0.00 0.00 52.86 52.32 1nji s ASN 137 Cb 0.13 -1.17 0.01 0.00 0.41 0.00 0.00 41.25 40.63 1nji s ASN 137 CO -0.16 -0.50 -0.22 -0.44 -1.51 0.00 0.00 177.10 174.28 1nji s SER 138 N -4.20 2.95 0.50 -1.22 0.01 -0.59 -4.94 113.70 106.20 1nji s SER 138 Ca 0.47 -0.55 -0.21 0.00 1.31 0.00 0.00 55.95 56.97 1nji s SER 138 Cb -0.10 -1.35 -0.07 0.00 0.21 0.00 0.00 66.02 64.71 1nji s SER 138 CO 0.32 0.11 1.14 -2.84 0.41 0.00 0.00 173.24 172.38 1nji s PRO 139 N 0.61 3.58 -0.16 12.44 0.02 -1.26 0.17 135.00 150.40 1nji s PRO 139 Ca -0.13 1.69 0.01 0.00 0.02 0.00 0.00 61.00 62.59 1nji s PRO 139 Cb -0.17 -2.21 0.00 0.00 0.02 0.00 0.00 34.50 32.14 1nji s PRO 139 CO 0.03 -0.68 -0.17 -0.65 -0.33 0.00 0.00 177.00 175.20 1nji s GLN 140 N -2.98 3.15 -0.01 5.54 -0.21 0.11 -3.37 119.66 121.90 1nji s GLN 140 Ca 0.68 -0.78 0.06 0.00 0.02 0.00 0.00 55.36 55.34 1nji s GLN 140 Cb -0.26 -2.60 -0.03 0.00 1.00 0.00 0.00 33.01 31.13 1nji s GLN 140 CO 0.31 -0.03 -0.19 0.08 -2.12 0.00 0.00 175.29 173.34 1nji s VAL 141 N 0.91 2.69 0.14 1.09 1.01 0.24 -0.61 120.40 125.87 1nji s VAL 141 Ca -0.04 -0.99 0.08 0.00 0.00 0.00 0.00 61.98 61.03 1nji s VAL 141 Cb -0.15 -2.05 -0.04 0.00 0.00 0.00 0.00 36.38 34.14 1nji s VAL 141 CO -0.02 0.50 -0.12 -1.81 0.00 0.00 0.00 175.10 173.64 1nji s ASP 142 N -0.95 4.19 -0.21 3.32 1.11 -0.48 0.13 116.67 123.78 1nji s ASP 142 Ca 0.12 -0.52 -0.15 0.00 0.18 0.00 0.00 52.55 52.18 1nji s ASP 142 Cb -0.10 -0.70 0.06 0.00 1.07 0.00 0.00 42.92 43.24 1nji s ASP 142 CO 0.02 0.14 0.53 0.54 1.18 0.00 0.00 175.17 177.58 1nji s VAL 143 N -1.42 -0.01 0.10 -1.27 0.11 -0.79 -1.01 120.40 116.10 1nji s VAL 143 Ca 0.22 0.03 0.04 0.00 -2.93 0.00 0.00 61.98 59.34 1nji s VAL 143 Cb -0.10 -0.76 -0.04 0.00 -1.53 0.00 0.00 36.38 33.96 1nji s VAL 143 CO 0.13 0.01 0.04 -1.83 -3.33 0.00 0.00 175.10 170.13 1nji s GLU 144 N 0.93 2.68 -0.09 1.54 -1.05 -0.60 -1.57 118.70 120.54 1nji s GLU 144 Ca -0.05 -0.81 -0.05 0.00 -0.15 0.00 0.00 54.97 53.91 1nji s GLU 144 Cb -0.05 -2.60 0.04 0.00 -0.44 0.00 0.00 34.13 31.07 1nji s GLU 144 CO -0.08 0.54 0.20 -1.17 0.95 0.00 0.00 175.26 175.70 1nji s LEU 145 N -2.46 0.67 -0.17 1.83 2.96 -0.57 -2.03 118.68 118.91 1nji s LEU 145 Ca 0.28 0.42 0.00 0.00 -0.22 0.00 0.00 54.13 54.61 1nji s LEU 145 Cb -0.12 0.59 0.04 0.00 0.50 0.00 0.00 46.19 47.20 1nji s LEU 145 CO 0.20 -0.14 -0.09 -0.63 -1.32 0.00 0.00 176.35 174.37 1nji s ILE 146 N 1.03 1.39 0.12 6.68 1.01 0.90 -1.55 121.20 130.78 1nji s ILE 146 Ca -0.08 -0.73 -0.10 0.00 0.00 0.00 0.00 60.65 59.74 1nji s ILE 146 Cb -0.09 -1.45 -0.06 0.00 0.01 0.00 0.00 42.46 40.86 1nji s ILE 146 CO -0.06 0.24 0.45 -0.76 0.00 0.00 0.00 174.94 174.81 1nji s LEU 147 N 1.53 4.31 0.01 2.97 1.43 0.11 -0.73 118.68 128.31 1nji s LEU 147 Ca 0.01 0.85 0.00 0.00 -1.03 0.00 0.00 54.13 53.97 1nji s LEU 147 Cb -0.15 -3.18 -0.01 0.00 0.03 0.00 0.00 46.19 42.88 1nji s LEU 147 CO -0.09 0.11 -0.01 -0.70 0.23 0.00 0.00 176.35 175.89 1nji s GLU 148 N -2.13 0.10 0.33 1.70 2.12 0.47 -1.57 118.70 119.72 1nji s GLU 148 Ca 0.37 -0.19 -0.29 0.00 0.36 0.00 0.00 54.97 55.22 1nji s GLU 148 Cb -0.14 0.02 -0.11 0.00 0.26 0.00 0.00 34.13 34.17 1nji s GLU 148 CO 0.19 -0.01 1.45 -1.21 -0.54 0.00 0.00 175.26 175.14 1nji s GLU 149 N -0.44 4.20 0.00 4.30 2.02 -0.99 -0.94 118.70 126.85 1nji s GLU 149 Ca -0.05 2.44 0.00 0.00 0.02 0.00 0.00 54.97 57.38 1nji s GLU 149 Cb -0.03 -3.03 0.00 0.00 0.10 0.00 0.00 34.13 31.17 1nji s GLU 149 CO -0.00 -0.44 0.37 -2.30 0.02 0.00 0.00 175.26 172.90