#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dj4 n SER 2 N 0.00 -3.23 -3.83 1.61 7.64 -1.26 -4.99 113.62 109.57 2dj4 n SER 2 Ca 0.00 -0.76 -0.12 0.00 1.01 0.00 0.00 58.87 58.99 2dj4 n SER 2 Cb 0.00 -4.15 -0.12 0.00 -1.01 0.00 0.00 64.21 58.92 2dj4 n SER 2 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 2dj4 s SER 3 N -3.83 -0.14 -0.25 6.43 1.04 -1.26 -5.16 113.70 110.53 2dj4 s SER 3 Ca 0.33 0.26 -0.27 0.00 0.48 0.00 0.00 55.95 56.75 2dj4 s SER 3 Cb -0.16 0.29 0.15 0.00 0.10 0.00 0.00 66.02 66.40 2dj4 s SER 3 CO 0.81 -0.07 1.17 -0.83 0.98 0.00 0.00 173.24 175.30 2dj4 s GLY 4 N -0.01 -0.02 1.01 7.32 0.00 -1.26 -5.17 107.32 109.19 2dj4 s GLY 4 Ca -0.01 2.72 -0.12 0.00 0.00 0.00 0.00 44.72 47.31 2dj4 s GLY 4 CO 0.00 1.52 1.09 -0.56 0.00 0.00 0.00 173.10 175.15 2dj4 s SER 5 N -0.40 2.47 -0.19 1.64 0.01 -1.26 -5.05 113.70 110.93 2dj4 s SER 5 Ca 0.04 1.21 0.01 0.00 1.31 0.00 0.00 55.95 58.52 2dj4 s SER 5 Cb -0.03 -1.89 0.03 0.00 0.21 0.00 0.00 66.02 64.34 2dj4 s SER 5 CO -0.07 -3.23 -0.13 -0.44 0.41 0.00 0.00 173.24 169.78 2dj4 s SER 6 N -3.38 3.24 0.00 2.44 0.01 -1.26 -4.92 113.70 109.83 2dj4 s SER 6 Ca 0.66 -0.78 0.00 0.00 1.31 0.00 0.00 55.95 57.14 2dj4 s SER 6 Cb -0.19 -1.28 0.00 0.00 0.21 0.00 0.00 66.02 64.76 2dj4 s SER 6 CO 0.58 -0.10 0.00 0.61 0.41 0.00 0.00 173.24 174.74 2dj4 n GLY 7 N 4.68 -1.76 3.53 3.44 0.00 -1.26 -5.11 105.19 108.71 2dj4 n GLY 7 Ca -0.16 -0.43 -0.27 0.00 0.00 0.00 0.00 46.02 45.15 2dj4 n GLY 7 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2dj4 s VAL 8 N -0.03 3.01 -0.18 1.61 -7.23 -1.26 -5.10 120.40 111.22 2dj4 s VAL 8 Ca 0.00 -1.68 -0.09 0.00 -1.81 0.00 0.00 61.98 58.40 2dj4 s VAL 8 Cb 0.00 -2.47 -0.05 0.00 0.56 0.00 0.00 36.38 34.43 2dj4 s VAL 8 CO 0.00 -0.07 0.11 -0.69 -0.31 0.00 0.00 175.10 174.14 2dj4 s VAL 9 N -1.60 5.22 -0.33 1.32 1.01 -1.26 -4.61 120.40 120.15 2dj4 s VAL 9 Ca 0.23 0.12 -0.01 0.00 0.00 0.00 0.00 61.98 62.32 2dj4 s VAL 9 Cb -0.09 -3.36 0.11 0.00 0.00 0.00 0.00 36.38 33.04 2dj4 s VAL 9 CO 0.13 0.47 0.13 -1.81 0.00 0.00 0.00 175.10 174.02 2dj4 s ASP 10 N 0.18 3.86 0.00 3.32 1.11 0.81 -4.97 116.67 120.98 2dj4 s ASP 10 Ca 0.07 -1.75 0.15 0.00 0.18 0.00 0.00 52.55 51.21 2dj4 s ASP 10 Cb -0.11 -0.79 0.86 0.00 1.07 0.00 0.00 42.92 43.95 2dj4 s ASP 10 CO -0.01 -0.39 1.36 -0.81 1.18 0.00 0.00 175.17 176.50 2dj4 n PRO 11 N 4.70 0.39 -0.58 8.23 -0.04 -1.26 -2.17 135.00 144.26 2dj4 n PRO 11 Ca -0.00 0.05 0.10 0.00 -0.04 0.00 0.00 63.50 63.61 2dj4 n PRO 11 Cb 0.41 -1.50 0.36 0.00 -0.04 0.00 0.00 33.50 32.73 2dj4 n PRO 11 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 2dj4 n SER 12 N -1.10 4.68 -0.01 3.54 7.64 -1.26 -4.05 113.62 123.06 2dj4 n SER 12 Ca 0.10 -2.36 0.01 0.00 1.01 0.00 0.00 58.87 57.63 2dj4 n SER 12 Cb 0.08 -0.57 -0.01 0.00 -1.01 0.00 0.00 64.21 62.69 2dj4 n SER 12 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 2dj4 n LYS 13 N 1.27 5.47 -2.93 1.43 4.76 -0.92 -4.95 118.16 122.29 2dj4 n LYS 13 Ca 0.26 -0.07 -0.40 0.00 -2.87 0.00 0.00 58.31 55.23 2dj4 n LYS 13 Cb 0.85 -0.67 -0.05 0.00 -1.84 0.00 0.00 35.03 33.33 2dj4 n LYS 13 CO 0.00 0.00 0.00 0.54 -1.37 0.00 0.00 177.40 176.57 2dj4 s VAL 14 N -1.15 4.70 0.37 -0.18 0.11 -1.26 -4.41 120.40 118.57 2dj4 s VAL 14 Ca 0.01 1.72 0.03 0.00 -2.93 0.00 0.00 61.98 60.81 2dj4 s VAL 14 Cb 0.02 -4.16 -0.04 0.00 -1.53 0.00 0.00 36.38 30.67 2dj4 s VAL 14 CO 0.10 0.35 0.10 -0.54 -3.33 0.00 0.00 175.10 171.78 2dj4 s LYS 15 N 0.00 1.79 -0.14 1.54 1.02 -0.49 -4.92 119.74 118.54 2dj4 s LYS 15 Ca 0.40 -2.05 -0.11 0.00 0.02 0.00 0.00 55.97 54.24 2dj4 s LYS 15 Cb -0.21 -0.70 0.04 0.00 -0.52 0.00 0.00 37.83 36.45 2dj4 s LYS 15 CO 0.24 -0.35 0.36 0.96 -0.92 0.00 0.00 175.35 175.64 2dj4 s ILE 16 N -3.28 -0.01 0.04 2.17 -4.36 -1.26 -0.81 121.20 113.68 2dj4 s ILE 16 Ca 0.29 0.04 -0.04 0.00 -0.26 0.00 0.00 60.65 60.69 2dj4 s ILE 16 Cb 0.05 -0.52 -0.02 0.00 1.25 0.00 0.00 42.46 43.23 2dj4 s ILE 16 CO 0.15 0.02 0.05 0.00 0.24 0.00 0.00 174.94 175.39 2dj4 s ALA 17 N 0.66 0.08 0.00 2.27 0.00 -0.18 -4.98 121.76 119.60 2dj4 s ALA 17 Ca -0.04 -0.68 0.00 0.00 0.00 0.00 0.00 51.96 51.25 2dj4 s ALA 17 Cb -0.05 0.23 0.00 0.00 0.00 0.00 0.00 23.12 23.30 2dj4 s ALA 17 CO -0.04 -0.29 0.00 0.41 0.00 0.00 0.00 175.76 175.83 2dj4 n GLY 18 N 0.83 0.77 0.26 0.00 0.00 -1.26 -0.23 105.19 105.57 2dj4 n GLY 18 Ca -0.19 -1.73 -0.13 0.00 0.00 0.00 0.00 46.02 43.98 2dj4 n GLY 18 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2dj4 h PRO 19 N 0.00 0.91 -1.10 1.61 0.13 -1.95 -2.35 132.00 129.25 2dj4 h PRO 19 Ca 0.00 -0.47 0.30 0.00 -0.87 0.00 0.00 66.00 64.96 2dj4 h PRO 19 Cb 0.00 0.01 -0.09 0.00 0.13 0.00 0.00 31.00 31.05 2dj4 h PRO 19 CO 0.00 1.13 0.72 0.78 -0.23 0.00 0.00 178.00 180.39 2dj4 h GLY 20 N 0.81 1.09 0.65 1.56 0.00 -1.84 0.11 103.07 105.44 2dj4 h GLY 20 Ca 0.06 -0.17 -0.24 0.00 0.00 0.00 0.00 47.33 46.99 2dj4 h GLY 20 CO 0.09 -0.16 -1.79 1.04 0.00 0.00 0.00 176.54 175.72 2dj4 n LEU 21 N -4.59 0.57 -4.32 3.11 4.77 -1.19 -4.90 117.00 110.46 2dj4 n LEU 21 Ca 0.27 0.26 -0.32 0.00 -0.03 0.00 0.00 56.01 56.19 2dj4 n LEU 21 Cb 1.01 0.20 0.17 0.00 -2.33 0.00 0.00 43.42 42.47 2dj4 n LEU 21 CO 0.26 0.29 -0.37 0.61 -1.33 0.00 0.00 177.39 176.85 2dj4 n GLY 22 N 1.52 -2.36 0.73 -0.72 0.00 0.37 -4.83 105.19 99.89 2dj4 n GLY 22 Ca -0.17 -0.81 0.02 0.00 0.00 0.00 0.00 46.02 45.06 2dj4 n GLY 22 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2dj4 n SER 23 N -1.92 1.95 -2.10 1.61 7.64 -1.26 -3.96 113.62 115.57 2dj4 n SER 23 Ca 0.02 -2.18 -0.27 0.00 1.01 0.00 0.00 58.87 57.45 2dj4 n SER 23 Cb 0.60 -0.42 0.03 0.00 -1.01 0.00 0.00 64.21 63.41 2dj4 n SER 23 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2dj4 n GLY 24 N 0.38 6.28 3.83 0.23 0.00 -1.26 -4.96 105.19 109.69 2dj4 n GLY 24 Ca 0.08 -2.59 -0.38 0.00 0.00 0.00 0.00 46.02 43.13 2dj4 n GLY 24 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2dj4 s VAL 25 N -4.67 5.02 0.09 1.61 1.01 -1.25 -5.01 120.40 117.20 2dj4 s VAL 25 Ca 0.54 0.86 0.10 0.00 0.00 0.00 0.00 61.98 63.48 2dj4 s VAL 25 Cb 0.43 -3.73 -0.03 0.00 0.00 0.00 0.00 36.38 33.05 2dj4 s VAL 25 CO 0.02 0.57 -0.25 -0.13 0.00 0.00 0.00 175.10 175.32 2dj4 s ARG 26 N -1.02 1.42 0.71 2.72 0.52 -1.26 0.18 118.95 122.22 2dj4 s ARG 26 Ca 0.24 -1.20 -0.15 0.00 -0.52 0.00 0.00 55.73 54.10 2dj4 s ARG 26 Cb -0.17 -1.75 0.03 0.00 0.52 0.00 0.00 34.95 33.58 2dj4 s ARG 26 CO 0.14 0.43 1.16 0.00 0.02 0.00 0.00 175.30 177.04 2dj4 s ALA 27 N -1.00 2.23 -1.57 2.13 0.00 0.20 -3.20 121.76 120.56 2dj4 s ALA 27 Ca 0.11 0.72 -0.13 0.00 0.00 0.00 0.00 51.96 52.66 2dj4 s ALA 27 Cb -0.10 -3.41 0.10 0.00 0.00 0.00 0.00 23.12 19.71 2dj4 s ALA 27 CO 0.04 -1.68 0.85 0.54 0.00 0.00 0.00 175.76 175.51 2dj4 n ARG 28 N -2.69 -4.49 -4.11 0.00 1.74 -0.57 -4.33 116.66 102.21 2dj4 n ARG 28 Ca 0.12 0.51 -0.14 0.00 -0.77 0.00 0.00 57.85 57.56 2dj4 n ARG 28 Cb 0.51 -5.25 -0.11 0.00 -1.02 0.00 0.00 32.46 26.59 2dj4 n ARG 28 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 2dj4 s VAL 29 N -3.38 0.75 -0.37 1.55 1.01 -1.19 -5.03 120.40 113.73 2dj4 s VAL 29 Ca 0.59 -1.26 -0.29 0.00 0.00 0.00 0.00 61.98 61.01 2dj4 s VAL 29 Cb -0.30 -0.89 0.00 0.00 0.00 0.00 0.00 36.38 35.19 2dj4 s VAL 29 CO 0.87 -0.40 1.45 -0.22 0.00 0.00 0.00 175.10 176.80 2dj4 s LEU 30 N -1.82 3.65 -0.16 3.92 2.96 -1.26 -4.26 118.68 121.69 2dj4 s LEU 30 Ca -0.05 1.00 -0.02 0.00 -0.22 0.00 0.00 54.13 54.84 2dj4 s LEU 30 Cb -0.08 -3.54 -0.02 0.00 0.50 0.00 0.00 46.19 43.05 2dj4 s LEU 30 CO 0.01 -1.39 -0.08 -1.10 -1.32 0.00 0.00 176.35 172.46 2dj4 s GLN 31 N 4.87 3.47 0.02 1.98 -1.52 0.71 -4.97 119.66 124.21 2dj4 s GLN 31 Ca 0.63 -0.62 -0.02 0.00 -1.95 0.00 0.00 55.36 53.41 2dj4 s GLN 31 Cb -0.16 -2.82 -0.02 0.00 -0.22 0.00 0.00 33.01 29.80 2dj4 s GLN 31 CO 0.31 0.11 0.01 0.45 -0.25 0.00 0.00 175.29 175.92 2dj4 s SER 32 N 0.65 0.19 0.20 5.90 0.15 -1.26 0.28 113.70 119.81 2dj4 s SER 32 Ca -0.04 -0.44 -0.06 0.00 0.70 0.00 0.00 55.95 56.11 2dj4 s SER 32 Cb -0.15 0.12 -0.02 0.00 -1.71 0.00 0.00 66.02 64.26 2dj4 s SER 32 CO 0.02 -0.32 0.25 0.72 1.20 0.00 0.00 173.24 175.12 2dj4 s PHE 33 N -1.44 0.78 -0.15 3.44 -0.71 -1.14 -2.67 117.98 116.09 2dj4 s PHE 33 Ca -0.16 -1.08 -0.03 0.00 -1.04 0.00 0.00 56.93 54.63 2dj4 s PHE 33 Cb -0.09 -0.26 -0.02 0.00 -1.21 0.00 0.00 43.02 41.44 2dj4 s PHE 33 CO -0.00 -0.74 -0.06 0.99 -1.34 0.00 0.00 175.22 174.06 2dj4 s THR 34 N -4.08 3.71 -0.37 -4.49 2.01 0.68 -2.75 115.64 110.36 2dj4 s THR 34 Ca 0.29 -0.43 -0.05 0.00 0.31 0.00 0.00 61.69 61.82 2dj4 s THR 34 Cb 0.04 -2.61 0.07 0.00 0.01 0.00 0.00 72.50 70.02 2dj4 s THR 34 CO 0.08 0.50 0.14 -0.69 -0.69 0.00 0.00 174.62 173.97 2dj4 s VAL 35 N 0.34 3.51 -0.57 3.82 1.01 -0.40 -1.01 120.40 127.11 2dj4 s VAL 35 Ca -0.06 -1.56 -0.24 0.00 0.00 0.00 0.00 61.98 60.13 2dj4 s VAL 35 Cb -0.15 -3.17 0.05 0.00 0.00 0.00 0.00 36.38 33.11 2dj4 s VAL 35 CO 0.04 -0.40 0.93 -0.62 0.00 0.00 0.00 175.10 175.05 2dj4 s ASP 36 N 1.66 6.30 -0.20 3.32 2.15 0.01 -1.19 116.67 128.72 2dj4 s ASP 36 Ca 0.02 -0.49 0.13 0.00 0.43 0.00 0.00 52.55 52.63 2dj4 s ASP 36 Cb -0.21 -2.43 0.40 0.00 -0.30 0.00 0.00 42.92 40.38 2dj4 s ASP 36 CO -0.01 -1.25 1.24 -1.54 -0.17 0.00 0.00 175.17 173.45 2dj4 n SER 37 N 7.45 2.05 0.03 -0.34 3.41 -1.21 -1.40 113.62 123.61 2dj4 n SER 37 Ca 0.00 -3.66 -0.14 0.00 -0.26 0.00 0.00 58.87 54.81 2dj4 n SER 37 Cb 0.47 -0.52 -0.04 0.00 -0.26 0.00 0.00 64.21 63.86 2dj4 n SER 37 CO 0.00 0.00 0.00 0.77 -0.16 0.00 0.00 175.04 175.65 2dj4 h SER 38 N 0.79 0.70 1.16 4.04 4.64 -1.83 -3.10 113.55 119.96 2dj4 h SER 38 Ca 0.03 -0.49 -0.05 0.00 -0.47 0.00 0.00 61.79 60.81 2dj4 h SER 38 Cb 1.10 -0.21 -0.01 0.00 -0.31 0.00 0.00 62.40 62.98 2dj4 h SER 38 CO 0.06 1.27 -0.23 0.11 -0.87 0.00 0.00 176.83 177.17 2dj4 h LYS 39 N 0.37 0.00 -0.29 4.77 1.57 -1.84 -3.15 116.57 118.00 2dj4 h LYS 39 Ca -0.06 0.00 -0.15 0.00 -1.87 0.00 0.00 60.65 58.57 2dj4 h LYS 39 Cb 1.44 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 33.75 2dj4 h LYS 39 CO 0.15 0.23 -0.42 0.00 -0.57 0.00 0.00 179.45 178.85 2dj4 h ALA 40 N 1.77 0.44 0.00 3.86 0.00 -1.70 -3.44 119.26 120.20 2dj4 h ALA 40 Ca -0.00 -0.46 0.00 0.00 0.00 0.00 0.00 54.91 54.45 2dj4 h ALA 40 Cb 0.87 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.58 2dj4 h ALA 40 CO 0.03 0.56 0.00 0.41 0.00 0.00 0.00 179.25 180.25 2dj4 n GLY 41 N 0.28 0.47 0.25 0.00 0.00 -1.18 -0.13 105.19 104.88 2dj4 n GLY 41 Ca -0.04 -1.22 0.09 0.00 0.00 0.00 0.00 46.02 44.86 2dj4 n GLY 41 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 173.32 174.79 2dj4 n LEU 42 N 0.00 2.67 -4.82 0.99 -0.00 -1.26 -4.67 117.00 109.91 2dj4 n LEU 42 Ca 0.00 -3.03 -0.33 0.00 -0.00 0.00 0.00 56.01 52.65 2dj4 n LEU 42 Cb 0.00 -0.44 -0.04 0.00 -0.00 0.00 0.00 43.42 42.95 2dj4 n LEU 42 CO 0.00 0.70 0.69 0.00 -0.00 0.00 0.00 177.39 178.77 2dj4 s ALA 43 N -2.78 2.95 0.92 1.47 0.00 -1.26 -5.05 121.76 118.00 2dj4 s ALA 43 Ca 0.33 0.40 -0.12 0.00 0.00 0.00 0.00 51.96 52.57 2dj4 s ALA 43 Cb 0.28 -3.18 0.14 0.00 0.00 0.00 0.00 23.12 20.36 2dj4 s ALA 43 CO 0.04 -0.25 1.09 -1.25 0.00 0.00 0.00 175.76 175.40 2dj4 s PRO 44 N -3.59 1.09 -0.04 0.00 0.04 -1.26 -4.86 135.00 126.39 2dj4 s PRO 44 Ca 0.63 0.76 0.05 0.00 0.04 0.00 0.00 61.00 62.48 2dj4 s PRO 44 Cb -0.12 -1.79 -0.01 0.00 0.04 0.00 0.00 34.50 32.61 2dj4 s PRO 44 CO 0.24 -2.34 -0.18 -1.17 0.04 0.00 0.00 177.00 173.59 2dj4 s LEU 45 N -6.27 1.96 0.03 -3.56 2.96 -1.26 -3.21 118.68 109.33 2dj4 s LEU 45 Ca 0.64 -0.36 0.09 0.00 -0.22 0.00 0.00 54.13 54.27 2dj4 s LEU 45 Cb -0.18 -1.00 -0.03 0.00 0.50 0.00 0.00 46.19 45.48 2dj4 s LEU 45 CO 0.57 0.18 -0.25 -0.70 -1.32 0.00 0.00 176.35 174.83 2dj4 s GLU 46 N -0.12 1.77 0.02 1.98 2.56 -0.83 -4.98 118.70 119.10 2dj4 s GLU 46 Ca -0.01 -1.02 0.02 0.00 0.00 0.00 0.00 54.97 53.96 2dj4 s GLU 46 Cb -0.10 -1.88 -0.01 0.00 2.00 0.00 0.00 34.13 34.13 2dj4 s GLU 46 CO 0.01 0.49 -0.06 0.08 -0.56 0.00 0.00 175.26 175.23 2dj4 s VAL 47 N -0.75 0.44 -0.06 3.70 1.01 -1.26 -1.34 120.40 122.14 2dj4 s VAL 47 Ca 0.10 -0.63 -0.11 0.00 0.00 0.00 0.00 61.98 61.34 2dj4 s VAL 47 Cb -0.10 -0.45 0.02 0.00 0.00 0.00 0.00 36.38 35.86 2dj4 s VAL 47 CO 0.01 -0.14 0.28 -0.60 0.00 0.00 0.00 175.10 174.65 2dj4 s ARG 48 N -0.84 0.47 -0.09 2.72 3.52 0.66 -4.91 118.95 120.48 2dj4 s ARG 48 Ca -0.04 0.11 0.04 0.00 -0.13 0.00 0.00 55.73 55.70 2dj4 s ARG 48 Cb -0.06 0.22 0.00 0.00 -1.56 0.00 0.00 34.95 33.55 2dj4 s ARG 48 CO 0.00 -0.10 -0.23 0.08 -0.81 0.00 0.00 175.30 174.24 2dj4 s VAL 49 N -0.54 1.97 -0.05 7.11 1.01 -1.26 0.15 120.40 128.79 2dj4 s VAL 49 Ca -0.06 -0.97 0.04 0.00 0.00 0.00 0.00 61.98 60.99 2dj4 s VAL 49 Cb -0.04 -1.70 -0.00 0.00 0.00 0.00 0.00 36.38 34.64 2dj4 s VAL 49 CO 0.02 0.54 -0.18 -0.76 0.00 0.00 0.00 175.10 174.72 2dj4 s LEU 50 N 0.34 1.93 0.86 3.92 1.02 0.38 -3.02 118.68 124.10 2dj4 s LEU 50 Ca -0.18 -0.38 -0.12 0.00 0.02 0.00 0.00 54.13 53.47 2dj4 s LEU 50 Cb -0.17 -1.03 0.13 0.00 0.02 0.00 0.00 46.19 45.13 2dj4 s LEU 50 CO 0.08 0.16 1.21 -0.83 0.02 0.00 0.00 176.35 176.99 2dj4 s GLY 51 N 0.06 1.70 0.07 -3.19 0.00 0.11 -1.29 107.32 104.77 2dj4 s GLY 51 Ca -0.05 -0.99 -0.17 0.00 0.00 0.00 0.00 44.72 43.51 2dj4 s GLY 51 CO 0.03 -0.39 1.39 -0.56 0.00 0.00 0.00 173.10 173.57 2dj4 h PRO 52 N -1.21 0.54 0.12 2.90 0.13 -1.89 -3.27 132.00 129.31 2dj4 h PRO 52 Ca -0.45 -0.28 -0.27 0.00 -0.87 0.00 0.00 66.00 64.13 2dj4 h PRO 52 Cb 1.28 0.01 0.01 0.00 0.13 0.00 0.00 31.00 32.43 2dj4 h PRO 52 CO 0.52 0.86 -1.21 0.00 -0.23 0.00 0.00 178.00 177.95 2dj4 h ARG 53 N 0.23 0.32 0.00 0.86 -0.00 -1.94 -3.47 114.38 110.37 2dj4 h ARG 53 Ca 0.04 -0.50 0.00 0.00 -0.50 0.00 0.00 59.98 59.02 2dj4 h ARG 53 Cb 0.76 0.18 0.00 0.00 0.00 0.00 0.00 29.97 30.91 2dj4 h ARG 53 CO 0.05 1.22 0.00 0.41 0.00 0.00 0.00 179.97 181.65 2dj4 n GLY 54 N 1.44 0.12 3.88 0.04 0.00 -1.23 -5.16 105.19 104.27 2dj4 n GLY 54 Ca -0.09 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.61 2dj4 n GLY 54 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2dj4 s LEU 55 N 0.00 4.18 -0.13 0.99 2.96 -1.26 -4.83 118.68 120.59 2dj4 s LEU 55 Ca 0.00 0.86 -0.02 0.00 -0.22 0.00 0.00 54.13 54.75 2dj4 s LEU 55 Cb 0.00 -3.62 -0.02 0.00 0.50 0.00 0.00 46.19 43.04 2dj4 s LEU 55 CO 0.00 -0.06 -0.07 -0.69 -1.32 0.00 0.00 176.35 174.22 2dj4 s VAL 56 N -1.80 3.64 0.02 1.68 1.01 -1.26 0.04 120.40 123.73 2dj4 s VAL 56 Ca 0.46 -0.46 0.09 0.00 0.00 0.00 0.00 61.98 62.07 2dj4 s VAL 56 Cb -0.11 -2.56 -0.03 0.00 0.00 0.00 0.00 36.38 33.68 2dj4 s VAL 56 CO 0.22 0.52 -0.26 -1.61 0.00 0.00 0.00 175.10 173.97 2dj4 s GLU 57 N 0.10 1.91 0.96 2.72 8.01 -1.17 -5.02 118.70 126.23 2dj4 s GLU 57 Ca -0.02 -1.04 -0.12 0.00 0.01 0.00 0.00 54.97 53.79 2dj4 s GLU 57 Cb -0.14 -2.00 0.17 0.00 -4.31 0.00 0.00 34.13 27.85 2dj4 s GLU 57 CO 0.03 0.53 1.09 -1.25 0.01 0.00 0.00 175.26 175.68 2dj4 s PRO 58 N -1.01 0.71 0.14 0.39 0.04 -1.26 -4.07 135.00 129.94 2dj4 s PRO 58 Ca 0.11 0.62 -0.06 0.00 0.04 0.00 0.00 61.00 61.71 2dj4 s PRO 58 Cb -0.10 -1.76 -0.02 0.00 0.04 0.00 0.00 34.50 32.66 2dj4 s PRO 58 CO 0.01 -2.57 0.18 0.14 0.04 0.00 0.00 177.00 174.80 2dj4 s VAL 59 N -2.96 0.09 0.02 -0.36 -7.23 -1.26 -4.81 120.40 103.90 2dj4 s VAL 59 Ca 0.65 -1.59 0.08 0.00 -1.81 0.00 0.00 61.98 59.30 2dj4 s VAL 59 Cb -0.18 -1.88 -0.02 0.00 0.56 0.00 0.00 36.38 34.86 2dj4 s VAL 59 CO 0.57 -0.41 -0.23 0.21 -0.31 0.00 0.00 175.10 174.94 2dj4 s ASN 60 N -2.99 2.69 -0.27 4.85 2.47 -1.21 -5.00 114.94 115.47 2dj4 s ASN 60 Ca 0.19 -0.49 -0.02 0.00 0.42 0.00 0.00 52.86 52.96 2dj4 s ASN 60 Cb 0.05 -0.26 0.09 0.00 -1.45 0.00 0.00 41.25 39.68 2dj4 s ASN 60 CO -0.00 0.23 0.08 -0.69 -3.72 0.00 0.00 177.10 173.00 2dj4 s VAL 61 N -0.68 0.68 -0.17 -5.21 1.01 -1.26 -4.14 120.40 110.63 2dj4 s VAL 61 Ca 0.09 -1.08 -0.00 0.00 0.00 0.00 0.00 61.98 60.99 2dj4 s VAL 61 Cb -0.09 -1.41 0.04 0.00 0.00 0.00 0.00 36.38 34.92 2dj4 s VAL 61 CO 0.01 -0.54 -0.07 -0.69 0.00 0.00 0.00 175.10 173.81 2dj4 s VAL 62 N 1.74 1.23 0.20 2.92 1.01 -0.92 -5.00 120.40 121.58 2dj4 s VAL 62 Ca 0.06 -0.71 -0.30 0.00 0.00 0.00 0.00 61.98 61.04 2dj4 s VAL 62 Cb -0.17 -1.38 -0.08 0.00 0.00 0.00 0.00 36.38 34.75 2dj4 s VAL 62 CO -0.22 0.15 1.25 -0.62 0.00 0.00 0.00 175.10 175.66 2dj4 s ASP 63 N 1.58 6.99 0.03 3.32 2.15 -1.26 -0.82 116.67 128.65 2dj4 s ASP 63 Ca 0.00 2.33 -0.18 0.00 0.43 0.00 0.00 52.55 55.13 2dj4 s ASP 63 Cb -0.15 -2.61 -0.23 0.00 -0.30 0.00 0.00 42.92 39.63 2dj4 s ASP 63 CO -0.08 -0.45 1.13 0.78 -0.17 0.00 0.00 175.17 176.39 2dj4 h ASN 64 N 5.21 0.64 0.00 -0.34 2.35 -1.61 -3.47 115.58 118.36 2dj4 h ASN 64 Ca -0.45 -0.74 0.00 0.00 -0.55 0.00 0.00 56.30 54.56 2dj4 h ASN 64 Cb 1.21 -0.20 0.00 0.00 0.05 0.00 0.00 38.32 39.39 2dj4 h ASN 64 CO 0.75 1.30 0.00 0.61 -1.65 0.00 0.00 177.43 178.44 2dj4 n GLY 65 N 1.04 1.63 0.14 2.83 0.00 -1.26 -4.92 105.19 104.65 2dj4 n GLY 65 Ca -0.10 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.69 2dj4 n GLY 65 CO 0.00 0.00 0.00 -1.80 0.00 0.00 0.00 173.32 171.52 2dj4 h ASP 66 N 0.91 0.61 0.00 1.61 3.58 -2.03 -3.47 116.42 117.64 2dj4 h ASP 66 Ca 0.00 -0.94 0.00 0.00 0.42 0.00 0.00 57.03 56.51 2dj4 h ASP 66 Cb 0.00 -0.20 0.00 0.00 1.72 0.00 0.00 39.33 40.85 2dj4 h ASP 66 CO 0.00 1.79 0.00 0.61 -2.88 0.00 0.00 179.24 178.76 2dj4 n GLY 67 N 1.87 0.00 3.58 -0.78 0.00 -1.26 -5.03 105.19 103.57 2dj4 n GLY 67 Ca -0.25 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.64 2dj4 n GLY 67 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2dj4 s THR 68 N 0.00 0.00 -0.09 2.61 -4.23 -1.26 -3.31 115.64 109.36 2dj4 s THR 68 Ca 0.00 -1.43 -0.05 0.00 -1.18 0.00 0.00 61.69 59.03 2dj4 s THR 68 Cb 0.00 -2.65 0.04 0.00 1.34 0.00 0.00 72.50 71.23 2dj4 s THR 68 CO 0.00 0.00 0.22 -1.00 -0.54 0.00 0.00 174.62 173.30 2dj4 s HIS 69 N -2.97 -0.28 0.01 3.99 3.76 -0.33 -1.40 115.29 118.07 2dj4 s HIS 69 Ca 0.26 0.69 -0.18 0.00 -0.15 0.00 0.00 55.06 55.68 2dj4 s HIS 69 Cb -0.02 0.02 -0.06 0.00 1.11 0.00 0.00 32.58 33.64 2dj4 s HIS 69 CO 0.17 -0.20 0.51 0.99 -0.85 0.00 0.00 174.74 175.36 2dj4 s THR 70 N 1.09 4.92 -0.25 1.30 2.01 -0.00 -1.27 115.64 123.44 2dj4 s THR 70 Ca -0.08 1.07 -0.02 0.00 0.31 0.00 0.00 61.69 62.97 2dj4 s THR 70 Cb -0.09 -3.83 0.08 0.00 0.01 0.00 0.00 72.50 68.66 2dj4 s THR 70 CO -0.07 0.51 0.06 -0.69 -0.69 0.00 0.00 174.62 173.74 2dj4 s VAL 71 N -0.70 0.70 -0.05 3.82 1.01 -1.11 -2.17 120.40 121.90 2dj4 s VAL 71 Ca 0.27 -0.94 -0.07 0.00 0.00 0.00 0.00 61.98 61.24 2dj4 s VAL 71 Cb -0.18 -1.33 -0.04 0.00 0.00 0.00 0.00 36.38 34.83 2dj4 s VAL 71 CO 0.16 -0.40 0.22 0.42 0.00 0.00 0.00 175.10 175.49 2dj4 s THR 72 N 1.75 5.37 0.26 3.92 -4.23 -1.26 -2.89 115.64 118.56 2dj4 s THR 72 Ca 0.03 0.24 -0.18 0.00 -1.18 0.00 0.00 61.69 60.60 2dj4 s THR 72 Cb -0.17 -3.51 0.01 0.00 1.34 0.00 0.00 72.50 70.17 2dj4 s THR 72 CO -0.16 0.50 0.62 -0.72 -0.54 0.00 0.00 174.62 174.32 2dj4 s TYR 73 N -1.16 0.04 -0.20 3.99 1.13 0.14 -3.28 117.35 118.02 2dj4 s TYR 73 Ca 0.22 -0.46 -0.04 0.00 -1.41 0.00 0.00 57.07 55.38 2dj4 s TYR 73 Cb -0.13 0.49 0.09 0.00 -1.10 0.00 0.00 41.96 41.31 2dj4 s TYR 73 CO 0.11 -1.13 0.24 0.99 -2.51 0.00 0.00 175.55 173.24 2dj4 s THR 74 N -3.96 -0.35 -0.77 -3.49 2.01 -1.26 -0.21 115.64 107.60 2dj4 s THR 74 Ca 0.16 -0.09 -0.25 0.00 0.31 0.00 0.00 61.69 61.82 2dj4 s THR 74 Cb -0.04 -0.67 -0.04 0.00 0.01 0.00 0.00 72.50 71.76 2dj4 s THR 74 CO 0.08 -0.18 1.91 -2.16 -0.69 0.00 0.00 174.62 173.58 2dj4 s PRO 75 N 2.35 2.58 0.57 4.92 0.04 -1.26 -4.81 135.00 139.39 2dj4 s PRO 75 Ca 0.07 0.12 0.36 0.00 0.04 0.00 0.00 61.00 61.58 2dj4 s PRO 75 Cb -0.15 -4.76 1.22 0.00 0.04 0.00 0.00 34.50 30.85 2dj4 s PRO 75 CO -0.12 -3.09 1.37 -1.13 0.04 0.00 0.00 177.00 174.07 2dj4 n SER 76 N 13.44 0.00 -3.54 6.66 3.41 -1.26 -1.51 113.62 130.81 2dj4 n SER 76 Ca 0.31 0.83 -0.13 0.00 -0.26 0.00 0.00 58.87 59.62 2dj4 n SER 76 Cb 0.49 -0.35 -0.05 0.00 -0.26 0.00 0.00 64.21 64.04 2dj4 n SER 76 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2dj4 s GLN 77 N -4.55 1.74 0.58 4.33 -2.07 -1.26 -4.42 119.66 114.01 2dj4 s GLN 77 Ca -0.03 -1.63 0.03 0.00 -1.82 0.00 0.00 55.36 51.90 2dj4 s GLN 77 Cb 0.19 0.43 0.06 0.00 -1.09 0.00 0.00 33.01 32.60 2dj4 s GLN 77 CO 0.63 -0.71 0.80 -1.83 -1.32 0.00 0.00 175.29 172.87 2dj4 s GLU 78 N -3.42 2.32 0.00 9.60 1.03 -1.26 -4.71 118.70 122.26 2dj4 s GLU 78 Ca 0.30 -1.07 0.00 0.00 0.03 0.00 0.00 54.97 54.23 2dj4 s GLU 78 Cb 0.00 -2.51 0.00 0.00 -0.80 0.00 0.00 34.13 30.82 2dj4 s GLU 78 CO 0.17 -0.86 0.00 0.41 -1.33 0.00 0.00 175.26 173.65 2dj4 n GLY 79 N -2.38 1.92 3.58 -3.83 0.00 -0.82 -4.92 105.19 98.73 2dj4 n GLY 79 Ca 0.11 -2.08 -0.28 0.00 0.00 0.00 0.00 46.02 43.77 2dj4 n GLY 79 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2dj4 s PRO 80 N -1.52 2.49 0.37 1.61 0.04 -1.26 -0.57 135.00 136.16 2dj4 s PRO 80 Ca 0.00 -1.04 -0.23 0.00 0.04 0.00 0.00 61.00 59.77 2dj4 s PRO 80 Cb 0.00 -5.22 -0.10 0.00 0.04 0.00 0.00 34.50 29.22 2dj4 s PRO 80 CO 0.00 -3.91 0.93 0.71 0.04 0.00 0.00 177.00 174.77 2dj4 s TYR 81 N 10.94 3.49 -0.14 0.56 1.51 0.09 -4.17 117.35 129.64 2dj4 s TYR 81 Ca 0.69 1.66 0.02 0.00 -1.01 0.00 0.00 57.07 58.42 2dj4 s TYR 81 Cb -0.02 -2.86 -0.00 0.00 -0.11 0.00 0.00 41.96 38.98 2dj4 s TYR 81 CO 0.11 0.06 -0.18 1.41 -1.11 0.00 0.00 175.55 175.84 2dj4 s MET 82 N -2.63 3.16 -0.52 -0.62 -2.45 -0.41 -0.14 119.30 115.68 2dj4 s MET 82 Ca 0.56 -0.79 -0.04 0.00 -1.25 0.00 0.00 55.69 54.17 2dj4 s MET 82 Cb -0.14 -2.51 0.14 0.00 1.25 0.00 0.00 34.83 33.57 2dj4 s MET 82 CO 0.18 0.08 0.34 0.08 1.05 0.00 0.00 175.02 176.75 2dj4 s VAL 83 N 0.63 3.61 0.27 10.11 1.01 0.25 -0.47 120.40 135.81 2dj4 s VAL 83 Ca -0.10 -2.47 -0.30 0.00 0.00 0.00 0.00 61.98 59.11 2dj4 s VAL 83 Cb -0.16 -3.40 -0.09 0.00 0.00 0.00 0.00 36.38 32.72 2dj4 s VAL 83 CO 0.03 -0.79 1.05 -0.55 0.00 0.00 0.00 175.10 174.83 2dj4 s SER 84 N 1.36 7.39 -0.03 3.32 0.15 0.12 -1.42 113.70 124.60 2dj4 s SER 84 Ca 0.12 2.17 0.00 0.00 0.70 0.00 0.00 55.95 58.94 2dj4 s SER 84 Cb -0.22 -2.62 0.03 0.00 -1.71 0.00 0.00 66.02 61.50 2dj4 s SER 84 CO -0.04 -0.05 0.02 -0.69 1.20 0.00 0.00 173.24 173.68 2dj4 s VAL 85 N -1.15 0.06 0.40 4.45 1.01 -1.26 -0.25 120.40 123.66 2dj4 s VAL 85 Ca 0.43 0.15 0.06 0.00 0.00 0.00 0.00 61.98 62.63 2dj4 s VAL 85 Cb -0.30 -0.18 -0.07 0.00 0.00 0.00 0.00 36.38 35.83 2dj4 s VAL 85 CO 0.38 0.12 0.02 -0.75 0.00 0.00 0.00 175.10 174.87 2dj4 s LYS 86 N 1.06 1.92 -0.28 2.72 2.20 -0.45 -3.22 119.74 123.69 2dj4 s LYS 86 Ca -0.09 -2.09 -0.00 0.00 -0.36 0.00 0.00 55.97 53.42 2dj4 s LYS 86 Cb -0.13 -1.48 0.17 0.00 -1.51 0.00 0.00 37.83 34.88 2dj4 s LYS 86 CO -0.02 -0.10 0.53 -0.47 -0.36 0.00 0.00 175.35 174.93 2dj4 s TYR 87 N -2.83 -1.39 -1.05 4.03 5.04 -1.00 -1.97 117.35 118.18 2dj4 s TYR 87 Ca 0.34 1.29 -0.06 0.00 -2.44 0.00 0.00 57.07 56.20 2dj4 s TYR 87 Cb 0.09 0.33 0.01 0.00 0.35 0.00 0.00 41.96 42.74 2dj4 s TYR 87 CO 0.17 -0.88 0.92 0.00 -1.34 0.00 0.00 175.55 174.42 2dj4 n ALA 88 N 5.41 -1.14 -3.00 3.97 0.00 -1.20 -2.48 120.51 122.07 2dj4 n ALA 88 Ca -0.01 0.26 -0.19 0.00 0.00 0.00 0.00 53.44 53.50 2dj4 n ALA 88 Cb 0.51 -4.05 0.04 0.00 0.00 0.00 0.00 19.45 15.95 2dj4 n ALA 88 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 2dj4 n ASP 89 N -2.19 -5.49 -3.44 0.00 8.00 -1.26 -4.99 116.55 107.18 2dj4 n ASP 89 Ca -0.04 -0.28 -0.18 0.00 0.71 0.00 0.00 54.79 55.00 2dj4 n ASP 89 Cb 0.56 -4.28 -0.11 0.00 -0.02 0.00 0.00 41.12 37.27 2dj4 n ASP 89 CO 0.00 0.00 0.00 -1.61 -0.39 0.00 0.00 177.20 175.20 2dj4 s GLU 90 N -5.63 0.26 -0.18 -1.24 2.02 -1.04 -5.11 118.70 107.79 2dj4 s GLU 90 Ca 0.30 0.03 -0.35 0.00 0.02 0.00 0.00 54.97 54.97 2dj4 s GLU 90 Cb -0.13 -0.91 -0.12 0.00 0.10 0.00 0.00 34.13 33.07 2dj4 s GLU 90 CO 0.37 -0.84 1.95 0.39 0.02 0.00 0.00 175.26 177.15 2dj4 n GLU 91 N 5.31 1.82 -1.31 1.61 1.02 -1.26 -2.37 120.64 125.46 2dj4 n GLU 91 Ca -0.04 0.63 -0.36 0.00 -0.02 0.00 0.00 57.16 57.38 2dj4 n GLU 91 Cb 0.48 -2.59 0.09 0.00 -0.02 0.00 0.00 31.44 29.40 2dj4 n GLU 91 CO 0.00 0.00 0.00 0.44 1.18 0.00 0.00 177.13 178.75 2dj4 n ILE 92 N 5.69 2.53 0.97 -3.67 -5.35 -1.20 -4.83 119.36 113.51 2dj4 n ILE 92 Ca 0.27 -0.36 0.03 0.00 -0.27 0.00 0.00 62.75 62.42 2dj4 n ILE 92 Cb 0.27 -1.04 0.18 0.00 -1.74 0.00 0.00 39.64 37.31 2dj4 n ILE 92 CO 0.00 0.00 0.00 -0.81 -1.76 0.00 0.00 176.55 173.98 2dj4 n PRO 93 N -1.78 0.49 0.00 6.28 -0.04 -1.26 -1.69 135.00 137.00 2dj4 n PRO 93 Ca 0.12 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.58 2dj4 n PRO 93 Cb 0.50 -1.19 0.00 0.00 -0.04 0.00 0.00 33.50 32.77 2dj4 n PRO 93 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 2dj4 n ARG 94 N -0.69 1.18 -4.42 0.54 5.12 -1.26 -5.03 116.66 112.10 2dj4 n ARG 94 Ca 0.04 -1.03 -0.27 0.00 -1.93 0.00 0.00 57.85 54.66 2dj4 n ARG 94 Cb 0.02 -0.99 -0.12 0.00 -1.16 0.00 0.00 32.46 30.22 2dj4 n ARG 94 CO 0.00 0.00 0.00 0.45 -1.93 0.00 0.00 177.63 176.15 2dj4 s SER 95 N -0.54 3.42 1.09 0.55 0.15 -0.68 -4.16 113.70 113.52 2dj4 s SER 95 Ca 0.00 -0.84 -0.15 0.00 0.70 0.00 0.00 55.95 55.66 2dj4 s SER 95 Cb 0.00 -0.25 0.23 0.00 -1.71 0.00 0.00 66.02 64.29 2dj4 s SER 95 CO 0.00 0.13 1.10 -2.16 1.20 0.00 0.00 173.24 173.51 2dj4 s PRO 96 N -2.55 -0.29 -0.07 5.44 0.04 -1.26 -4.78 135.00 131.53 2dj4 s PRO 96 Ca 0.19 0.27 0.01 0.00 0.04 0.00 0.00 61.00 61.52 2dj4 s PRO 96 Cb -0.08 -1.67 -0.03 0.00 0.04 0.00 0.00 34.50 32.75 2dj4 s PRO 96 CO 0.09 -3.16 -0.07 -0.06 0.04 0.00 0.00 177.00 173.84 2dj4 s PHE 97 N -2.98 2.94 -0.44 0.56 0.40 -0.51 -4.94 117.98 113.01 2dj4 s PHE 97 Ca 0.68 0.02 -0.15 0.00 -0.60 0.00 0.00 56.93 56.87 2dj4 s PHE 97 Cb -0.15 -1.71 0.05 0.00 0.51 0.00 0.00 43.02 41.71 2dj4 s PHE 97 CO 0.57 0.33 0.35 0.15 0.70 0.00 0.00 175.22 177.31 2dj4 s LYS 98 N -0.79 2.96 -0.36 0.44 1.02 -1.26 -0.58 119.74 121.17 2dj4 s LYS 98 Ca 0.12 -1.21 0.01 0.00 0.02 0.00 0.00 55.97 54.91 2dj4 s LYS 98 Cb -0.11 -4.05 0.10 0.00 -0.52 0.00 0.00 37.83 33.25 2dj4 s LYS 98 CO 0.01 -0.90 0.09 0.08 -0.92 0.00 0.00 175.35 173.71 2dj4 s VAL 99 N 1.65 2.70 -0.79 3.17 1.01 0.80 -5.01 120.40 123.93 2dj4 s VAL 99 Ca 0.04 -2.11 -0.26 0.00 0.00 0.00 0.00 61.98 59.65 2dj4 s VAL 99 Cb -0.22 -2.87 0.04 0.00 0.00 0.00 0.00 36.38 33.33 2dj4 s VAL 99 CO 0.08 -0.55 1.28 -0.75 0.00 0.00 0.00 175.10 175.16 2dj4 s LYS 100 N 1.03 3.27 0.41 2.72 2.20 -1.26 -0.73 119.74 127.38 2dj4 s LYS 100 Ca 0.07 -0.51 -0.25 0.00 -0.36 0.00 0.00 55.97 54.92 2dj4 s LYS 100 Cb -0.20 -4.44 -0.08 0.00 -1.51 0.00 0.00 37.83 31.60 2dj4 s LYS 100 CO -0.06 -2.12 1.19 0.08 -0.36 0.00 0.00 175.35 174.08 2dj4 s VAL 101 N 5.36 3.06 0.18 4.02 1.01 0.27 -4.65 120.40 129.64 2dj4 s VAL 101 Ca 0.36 0.88 0.07 0.00 0.00 0.00 0.00 61.98 63.29 2dj4 s VAL 101 Cb -0.07 -3.49 -0.04 0.00 0.00 0.00 0.00 36.38 32.77 2dj4 s VAL 101 CO 0.09 0.08 0.04 -0.76 0.00 0.00 0.00 175.10 174.55 2dj4 s LEU 102 N -2.55 3.44 -0.03 3.92 1.43 0.13 -1.95 118.68 123.07 2dj4 s LEU 102 Ca 0.58 -0.34 -0.30 0.00 -1.03 0.00 0.00 54.13 53.04 2dj4 s LEU 102 Cb -0.32 -2.07 -0.05 0.00 0.03 0.00 0.00 46.19 43.78 2dj4 s LEU 102 CO 0.40 0.08 1.47 -2.16 0.23 0.00 0.00 176.35 176.36 2dj4 s PRO 103 N -3.05 4.24 0.32 1.29 0.04 -1.26 0.60 135.00 137.19 2dj4 s PRO 103 Ca 0.29 2.01 0.25 0.00 0.04 0.00 0.00 61.00 63.59 2dj4 s PRO 103 Cb -0.09 -3.70 1.07 0.00 0.04 0.00 0.00 34.50 31.82 2dj4 s PRO 103 CO 0.20 -0.67 1.09 2.41 0.04 0.00 0.00 177.00 180.07 2dj4 n THR 104 N 4.96 -0.15 -4.10 1.26 -1.04 -1.26 -4.21 114.28 109.74 2dj4 n THR 104 Ca 0.14 1.23 -0.22 0.00 -2.04 0.00 0.00 64.05 63.16 2dj4 n THR 104 Cb 0.43 -2.01 -0.04 0.00 -1.82 0.00 0.00 70.33 66.89 2dj4 n THR 104 CO 0.00 0.00 0.00 -0.31 -0.64 0.00 0.00 175.07 174.12 2dj4 s TYR 105 N -4.68 3.14 -0.42 -1.42 1.51 -1.26 -4.99 117.35 109.24 2dj4 s TYR 105 Ca -0.05 -0.09 0.03 0.00 -1.01 0.00 0.00 57.07 55.95 2dj4 s TYR 105 Cb 0.21 -1.42 0.11 0.00 -0.11 0.00 0.00 41.96 40.75 2dj4 s TYR 105 CO 0.58 0.52 0.15 -0.51 -1.11 0.00 0.00 175.55 175.18 2dj4 s ASP 106 N -3.77 4.70 -0.48 2.29 1.01 -1.26 -5.03 116.67 114.12 2dj4 s ASP 106 Ca 0.33 -2.45 0.03 0.00 0.71 0.00 0.00 52.55 51.17 2dj4 s ASP 106 Cb -0.08 -1.66 0.13 0.00 1.01 0.00 0.00 42.92 42.32 2dj4 s ASP 106 CO 0.25 -0.35 0.25 0.00 0.21 0.00 0.00 175.17 175.53 2dj4 s ALA 107 N 0.50 2.76 -2.00 5.23 0.00 -1.26 -5.22 121.76 121.77 2dj4 s ALA 107 Ca 0.13 -2.95 0.11 0.00 0.00 0.00 0.00 51.96 49.25 2dj4 s ALA 107 Cb -0.22 -2.03 0.65 0.00 0.00 0.00 0.00 23.12 21.52 2dj4 s ALA 107 CO -0.05 -2.04 1.09 0.45 0.00 0.00 0.00 175.76 175.21