#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dj4 s SER 2 N 0.00 4.33 -0.63 1.61 0.01 -1.26 -4.93 113.70 112.83 2dj4 s SER 2 Ca 0.00 2.54 -0.00 0.00 1.31 0.00 0.00 55.95 59.80 2dj4 s SER 2 Cb 0.00 -2.61 0.43 0.00 0.21 0.00 0.00 66.02 64.05 2dj4 s SER 2 CO 0.00 -2.18 1.85 -1.54 0.41 0.00 0.00 173.24 171.78 2dj4 n SER 3 N -2.30 7.08 0.00 2.44 3.41 -1.26 -4.95 113.62 118.03 2dj4 n SER 3 Ca 0.15 -3.79 0.00 0.00 -0.26 0.00 0.00 58.87 54.97 2dj4 n SER 3 Cb 0.49 -0.87 0.00 0.00 -0.26 0.00 0.00 64.21 63.57 2dj4 n SER 3 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2dj4 n GLY 4 N -0.79 1.65 3.31 5.00 0.00 -1.26 -5.15 105.19 107.96 2dj4 n GLY 4 Ca 0.57 -1.24 -0.17 0.00 0.00 0.00 0.00 46.02 45.18 2dj4 n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2dj4 s SER 5 N 0.00 1.29 -0.09 1.61 0.01 -1.26 -5.16 113.70 110.10 2dj4 s SER 5 Ca 0.00 -1.51 0.03 0.00 1.31 0.00 0.00 55.95 55.78 2dj4 s SER 5 Cb 0.00 0.34 0.01 0.00 0.21 0.00 0.00 66.02 66.58 2dj4 s SER 5 CO 0.00 -0.85 -0.19 -0.55 0.41 0.00 0.00 173.24 172.06 2dj4 s SER 6 N -3.33 2.59 0.00 2.44 0.15 -1.26 -4.84 113.70 109.45 2dj4 s SER 6 Ca 0.37 -0.46 0.00 0.00 0.70 0.00 0.00 55.95 56.55 2dj4 s SER 6 Cb 0.06 -1.19 0.00 0.00 -1.71 0.00 0.00 66.02 63.18 2dj4 s SER 6 CO 0.16 0.10 0.00 0.61 1.20 0.00 0.00 173.24 175.31 2dj4 n GLY 7 N 3.73 0.80 3.18 9.45 0.00 -1.26 -5.12 105.19 115.99 2dj4 n GLY 7 Ca -0.20 -0.55 -0.23 0.00 0.00 0.00 0.00 46.02 45.03 2dj4 n GLY 7 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2dj4 s VAL 8 N -2.48 1.38 -0.10 1.61 0.11 -1.26 -5.14 120.40 114.51 2dj4 s VAL 8 Ca 0.00 -0.97 0.03 0.00 -2.93 0.00 0.00 61.98 58.11 2dj4 s VAL 8 Cb 0.00 -1.19 -0.01 0.00 -1.53 0.00 0.00 36.38 33.65 2dj4 s VAL 8 CO 0.00 0.20 -0.19 -0.69 -3.33 0.00 0.00 175.10 171.09 2dj4 s VAL 9 N -0.67 2.50 -0.34 2.04 1.01 -1.26 -4.67 120.40 119.01 2dj4 s VAL 9 Ca 0.05 -0.87 -0.00 0.00 0.00 0.00 0.00 61.98 61.16 2dj4 s VAL 9 Cb -0.08 -1.99 0.11 0.00 0.00 0.00 0.00 36.38 34.42 2dj4 s VAL 9 CO 0.01 0.55 0.13 -1.81 0.00 0.00 0.00 175.10 173.98 2dj4 s ASP 10 N 0.22 3.92 0.00 3.32 1.01 0.66 -4.97 116.67 120.84 2dj4 s ASP 10 Ca -0.12 -1.86 0.15 0.00 0.71 0.00 0.00 52.55 51.43 2dj4 s ASP 10 Cb -0.16 -0.89 0.88 0.00 1.01 0.00 0.00 42.92 43.76 2dj4 s ASP 10 CO 0.07 -0.38 1.36 -0.81 0.21 0.00 0.00 175.17 175.62 2dj4 n PRO 11 N 4.56 0.40 -0.56 8.23 -0.04 -1.26 -2.14 135.00 144.18 2dj4 n PRO 11 Ca 0.01 0.04 0.10 0.00 -0.04 0.00 0.00 63.50 63.61 2dj4 n PRO 11 Cb 0.40 -1.50 0.35 0.00 -0.04 0.00 0.00 33.50 32.71 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 -1.09 4.58 -0.02 3.54 7.64 -1.26 -4.08 113.62 122.93 2dj4 n SER 12 Ca 0.10 -2.38 0.01 0.00 1.01 0.00 0.00 58.87 57.61 2dj4 n SER 12 Cb 0.07 -0.55 -0.01 0.00 -1.01 0.00 0.00 64.21 62.71 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 1.14 5.12 -2.94 1.43 4.76 -0.91 -4.93 118.16 121.83 2dj4 n LYS 13 Ca 0.25 -0.11 -0.40 0.00 -2.87 0.00 0.00 58.31 55.18 2dj4 n LYS 13 Cb 0.84 -0.68 -0.05 0.00 -1.84 0.00 0.00 35.03 33.30 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 -1.05 4.84 0.33 -0.18 0.11 -1.26 -4.35 120.40 118.84 2dj4 s VAL 14 Ca 0.01 1.66 0.05 0.00 -2.93 0.00 0.00 61.98 60.77 2dj4 s VAL 14 Cb 0.02 -4.14 -0.07 0.00 -1.53 0.00 0.00 36.38 30.67 2dj4 s VAL 14 CO 0.08 0.29 0.04 -0.54 -3.33 0.00 0.00 175.10 171.65 2dj4 s LYS 15 N 0.39 1.69 -0.09 1.54 1.02 -0.55 -4.91 119.74 118.83 2dj4 s LYS 15 Ca 0.41 -1.94 -0.06 0.00 0.02 0.00 0.00 55.97 54.41 2dj4 s LYS 15 Cb -0.20 -1.03 0.04 0.00 -0.52 0.00 0.00 37.83 36.12 2dj4 s LYS 15 CO 0.23 -0.14 0.21 0.96 -0.92 0.00 0.00 175.35 175.69 2dj4 s ILE 16 N -3.17 -0.03 0.00 2.17 -4.36 -1.26 -0.62 121.20 113.93 2dj4 s ILE 16 Ca 0.36 0.10 -0.02 0.00 -0.26 0.00 0.00 60.65 60.82 2dj4 s ILE 16 Cb 0.09 -0.32 -0.01 0.00 1.25 0.00 0.00 42.46 43.46 2dj4 s ILE 16 CO 0.16 0.04 0.04 0.00 0.24 0.00 0.00 174.94 175.42 2dj4 s ALA 17 N 0.81 -0.08 0.00 2.27 0.00 -0.40 -5.00 121.76 119.36 2dj4 s ALA 17 Ca -0.06 -0.20 0.00 0.00 0.00 0.00 0.00 51.96 51.70 2dj4 s ALA 17 Cb -0.07 0.05 0.00 0.00 0.00 0.00 0.00 23.12 23.10 2dj4 s ALA 17 CO -0.05 -0.12 0.00 0.41 0.00 0.00 0.00 175.76 176.00 2dj4 n GLY 18 N 2.12 1.41 0.20 0.00 0.00 -1.26 -0.99 105.19 106.67 2dj4 n GLY 18 Ca -0.19 -1.15 -0.04 0.00 0.00 0.00 0.00 46.02 44.64 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 0.32 -0.83 1.61 0.13 -1.97 -2.67 132.00 128.60 2dj4 h PRO 19 Ca 0.00 -0.17 0.05 0.00 -0.87 0.00 0.00 66.00 65.01 2dj4 h PRO 19 Cb 0.00 0.01 -0.06 0.00 0.13 0.00 0.00 31.00 31.08 2dj4 h PRO 19 CO 0.00 0.72 0.51 0.78 -0.23 0.00 0.00 178.00 179.78 2dj4 h GLY 20 N 1.23 1.23 1.96 1.56 0.00 -1.87 -1.98 103.07 105.20 2dj4 h GLY 20 Ca 0.02 -0.37 -0.13 0.00 0.00 0.00 0.00 47.33 46.85 2dj4 h GLY 20 CO 0.07 0.27 -0.62 1.41 0.00 0.00 0.00 176.54 177.67 2dj4 h LEU 21 N 0.95 0.00 -9.27 3.11 3.38 -1.85 -3.46 115.31 108.17 2dj4 h LEU 21 Ca 0.36 0.00 -0.29 0.00 0.09 0.00 0.00 57.88 58.03 2dj4 h LEU 21 Cb 0.14 0.00 0.16 0.00 0.09 0.00 0.00 40.66 41.05 2dj4 h LEU 21 CO -0.16 0.59 -0.48 0.61 0.09 0.00 0.00 178.44 179.09 2dj4 n GLY 22 N 1.25 -2.63 0.08 0.83 0.00 -0.75 -4.82 105.19 99.16 2dj4 n GLY 22 Ca 0.01 -0.89 0.12 0.00 0.00 0.00 0.00 46.02 45.26 2dj4 n GLY 22 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 173.32 173.55 2dj4 h SER 23 N -2.63 0.00 -0.52 1.61 0.87 -1.90 -3.38 113.55 107.61 2dj4 h SER 23 Ca -0.33 -0.16 -0.32 0.00 -1.23 0.00 0.00 61.79 59.75 2dj4 h SER 23 Cb 0.96 0.00 -0.12 0.00 -0.44 0.00 0.00 62.40 62.80 2dj4 h SER 23 CO 0.21 0.08 0.08 0.61 -0.53 0.00 0.00 176.83 177.29 2dj4 n GLY 24 N 1.29 3.68 3.88 5.77 0.00 -1.26 -4.78 105.19 113.77 2dj4 n GLY 24 Ca 0.02 -1.38 -0.36 0.00 0.00 0.00 0.00 46.02 44.30 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 -0.91 5.48 0.15 1.61 1.01 -1.26 -5.02 120.40 121.45 2dj4 s VAL 25 Ca 0.53 0.14 0.10 0.00 0.00 0.00 0.00 61.98 62.75 2dj4 s VAL 25 Cb 0.31 -3.44 -0.04 0.00 0.00 0.00 0.00 36.38 33.21 2dj4 s VAL 25 CO -0.10 0.55 -0.20 -0.13 0.00 0.00 0.00 175.10 175.22 2dj4 s ARG 26 N -1.25 1.68 0.58 2.72 0.52 -1.26 0.44 118.95 122.37 2dj4 s ARG 26 Ca 0.18 -1.31 -0.18 0.00 -0.52 0.00 0.00 55.73 53.91 2dj4 s ARG 26 Cb -0.12 -2.01 -0.04 0.00 0.52 0.00 0.00 34.95 33.29 2dj4 s ARG 26 CO 0.08 0.45 1.09 0.00 0.02 0.00 0.00 175.30 176.94 2dj4 s ALA 27 N -1.32 2.68 -1.48 2.13 0.00 0.16 -3.48 121.76 120.44 2dj4 s ALA 27 Ca 0.19 0.61 -0.12 0.00 0.00 0.00 0.00 51.96 52.64 2dj4 s ALA 27 Cb -0.10 -3.30 0.06 0.00 0.00 0.00 0.00 23.12 19.79 2dj4 s ALA 27 CO 0.10 -0.83 1.05 0.54 0.00 0.00 0.00 175.76 176.61 2dj4 n ARG 28 N -1.71 -6.28 -4.15 0.00 1.74 0.27 -4.32 116.66 102.21 2dj4 n ARG 28 Ca 0.10 0.67 -0.15 0.00 -0.77 0.00 0.00 57.85 57.70 2dj4 n ARG 28 Cb 0.52 -5.61 -0.13 0.00 -1.02 0.00 0.00 32.46 26.22 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 -3.31 0.54 -0.17 1.55 1.01 -1.23 -5.01 120.40 113.78 2dj4 s VAL 29 Ca 0.64 -0.63 -0.29 0.00 0.00 0.00 0.00 61.98 61.69 2dj4 s VAL 29 Cb -0.31 -0.52 -0.04 0.00 0.00 0.00 0.00 36.38 35.51 2dj4 s VAL 29 CO 0.80 -0.08 1.78 -0.22 0.00 0.00 0.00 175.10 177.38 2dj4 s LEU 30 N -0.78 3.93 -0.12 3.92 2.96 -1.26 -4.15 118.68 123.17 2dj4 s LEU 30 Ca -0.03 1.87 0.03 0.00 -0.22 0.00 0.00 54.13 55.78 2dj4 s LEU 30 Cb -0.06 -3.53 0.01 0.00 0.50 0.00 0.00 46.19 43.11 2dj4 s LEU 30 CO 0.00 -1.33 -0.22 -1.10 -1.32 0.00 0.00 176.35 172.38 2dj4 s GLN 31 N 4.89 2.98 0.01 1.98 -1.52 0.26 -5.00 119.66 123.27 2dj4 s GLN 31 Ca 0.79 -0.85 -0.02 0.00 -1.95 0.00 0.00 55.36 53.33 2dj4 s GLN 31 Cb -0.30 -2.35 -0.01 0.00 -0.22 0.00 0.00 33.01 30.13 2dj4 s GLN 31 CO 0.32 0.06 0.02 0.45 -0.25 0.00 0.00 175.29 175.90 2dj4 s SER 32 N 0.63 0.17 0.30 5.90 0.15 -1.26 -0.41 113.70 119.18 2dj4 s SER 32 Ca -0.12 -0.39 0.03 0.00 0.70 0.00 0.00 55.95 56.16 2dj4 s SER 32 Cb -0.16 0.13 -0.02 0.00 -1.71 0.00 0.00 66.02 64.25 2dj4 s SER 32 CO 0.02 -0.31 0.29 0.72 1.20 0.00 0.00 173.24 175.17 2dj4 s PHE 33 N -1.39 1.42 -0.07 3.44 -0.71 -1.09 -2.93 117.98 116.65 2dj4 s PHE 33 Ca -0.15 -1.48 0.03 0.00 -1.04 0.00 0.00 56.93 54.28 2dj4 s PHE 33 Cb -0.09 -0.51 -0.02 0.00 -1.21 0.00 0.00 43.02 41.19 2dj4 s PHE 33 CO -0.00 -0.88 -0.14 0.99 -1.34 0.00 0.00 175.22 173.85 2dj4 s THR 34 N -3.55 3.04 -0.34 -4.49 2.01 -0.16 -2.33 115.64 109.82 2dj4 s THR 34 Ca 0.37 -0.71 -0.01 0.00 0.31 0.00 0.00 61.69 61.65 2dj4 s THR 34 Cb 0.03 -2.22 0.08 0.00 0.01 0.00 0.00 72.50 70.40 2dj4 s THR 34 CO 0.22 0.57 0.07 -0.69 -0.69 0.00 0.00 174.62 174.10 2dj4 s VAL 35 N -0.40 2.95 -0.71 3.82 1.01 0.16 -1.28 120.40 125.95 2dj4 s VAL 35 Ca 0.05 -1.75 -0.22 0.00 0.00 0.00 0.00 61.98 60.05 2dj4 s VAL 35 Cb -0.12 -2.87 0.08 0.00 0.00 0.00 0.00 36.38 33.46 2dj4 s VAL 35 CO 0.02 -0.36 1.01 -0.62 0.00 0.00 0.00 175.10 175.15 2dj4 s ASP 36 N 1.39 6.24 -0.28 3.32 2.15 0.20 -0.84 116.67 128.85 2dj4 s ASP 36 Ca 0.01 -1.12 0.09 0.00 0.43 0.00 0.00 52.55 51.96 2dj4 s ASP 36 Cb -0.21 -2.43 0.49 0.00 -0.30 0.00 0.00 42.92 40.48 2dj4 s ASP 36 CO -0.03 -1.41 1.42 -1.54 -0.17 0.00 0.00 175.17 173.43 2dj4 n SER 37 N 7.66 2.41 0.08 -0.34 3.41 -1.24 -1.48 113.62 124.11 2dj4 n SER 37 Ca 0.01 -3.82 -0.12 0.00 -0.26 0.00 0.00 58.87 54.67 2dj4 n SER 37 Cb 0.46 -0.61 -0.05 0.00 -0.26 0.00 0.00 64.21 63.75 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 1.04 0.43 1.49 4.04 4.64 -1.82 -3.07 113.55 120.31 2dj4 h SER 38 Ca 0.19 -0.36 -0.04 0.00 -0.47 0.00 0.00 61.79 61.11 2dj4 h SER 38 Cb 1.52 -0.13 -0.01 0.00 -0.31 0.00 0.00 62.40 63.47 2dj4 h SER 38 CO 0.34 1.18 -0.17 0.11 -0.87 0.00 0.00 176.83 177.42 2dj4 h LYS 39 N 0.17 0.00 -0.07 4.77 1.79 -1.82 -3.22 116.57 118.18 2dj4 h LYS 39 Ca -0.08 0.00 -0.21 0.00 -2.18 0.00 0.00 60.65 58.18 2dj4 h LYS 39 Cb 1.62 0.00 0.01 0.00 -1.58 0.00 0.00 32.23 32.29 2dj4 h LYS 39 CO 0.16 0.17 -0.78 0.00 -1.08 0.00 0.00 179.45 177.92 2dj4 h ALA 40 N 1.83 0.19 0.00 3.86 0.00 -1.70 -3.44 119.26 120.01 2dj4 h ALA 40 Ca -0.00 -0.61 0.00 0.00 0.00 0.00 0.00 54.91 54.30 2dj4 h ALA 40 Cb 0.96 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.77 2dj4 h ALA 40 CO 0.02 0.57 0.00 0.41 0.00 0.00 0.00 179.25 180.26 2dj4 n GLY 41 N 0.88 0.62 1.14 0.00 0.00 -1.16 -0.24 105.19 106.42 2dj4 n GLY 41 Ca -0.09 -1.55 0.08 0.00 0.00 0.00 0.00 46.02 44.46 2dj4 n GLY 41 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2dj4 n LEU 42 N 0.00 4.17 -4.80 0.99 7.99 -1.26 -4.62 117.00 119.47 2dj4 n LEU 42 Ca 0.00 -2.70 -0.34 0.00 -0.01 0.00 0.00 56.01 52.97 2dj4 n LEU 42 Cb 0.00 -0.51 -0.03 0.00 -0.11 0.00 0.00 43.42 42.77 2dj4 n LEU 42 CO 0.00 0.71 0.71 0.00 -1.51 0.00 0.00 177.39 177.30 2dj4 s ALA 43 N -2.27 2.86 0.96 -1.18 0.00 -1.26 -5.04 121.76 115.82 2dj4 s ALA 43 Ca 0.42 0.52 -0.12 0.00 0.00 0.00 0.00 51.96 52.78 2dj4 s ALA 43 Cb 0.31 -3.23 0.16 0.00 0.00 0.00 0.00 23.12 20.36 2dj4 s ALA 43 CO 0.14 -0.40 1.09 -1.25 0.00 0.00 0.00 175.76 175.34 2dj4 s PRO 44 N -3.49 0.77 -0.02 0.00 0.04 -1.26 -4.84 135.00 126.20 2dj4 s PRO 44 Ca 0.66 0.65 0.06 0.00 0.04 0.00 0.00 61.00 62.40 2dj4 s PRO 44 Cb -0.15 -1.77 -0.01 0.00 0.04 0.00 0.00 34.50 32.61 2dj4 s PRO 44 CO 0.24 -2.53 -0.18 -1.17 0.04 0.00 0.00 177.00 173.40 2dj4 s LEU 45 N -6.36 2.03 0.07 -3.56 2.96 -1.26 -3.11 118.68 109.45 2dj4 s LEU 45 Ca 0.65 -0.33 0.08 0.00 -0.22 0.00 0.00 54.13 54.30 2dj4 s LEU 45 Cb -0.18 -0.95 -0.03 0.00 0.50 0.00 0.00 46.19 45.52 2dj4 s LEU 45 CO 0.57 0.22 -0.20 -1.61 -1.32 0.00 0.00 176.35 174.02 2dj4 s GLU 46 N -0.40 1.91 -0.01 1.98 8.01 -0.53 -4.96 118.70 124.69 2dj4 s GLU 46 Ca 0.06 -1.08 0.00 0.00 0.01 0.00 0.00 54.97 53.97 2dj4 s GLU 46 Cb -0.07 -2.12 0.02 0.00 -4.31 0.00 0.00 34.13 27.65 2dj4 s GLU 46 CO -0.01 0.51 0.01 0.08 0.01 0.00 0.00 175.26 175.87 2dj4 s VAL 47 N -0.98 0.02 -0.01 2.63 1.01 -1.26 -1.79 120.40 120.02 2dj4 s VAL 47 Ca 0.15 0.10 -0.01 0.00 0.00 0.00 0.00 61.98 62.22 2dj4 s VAL 47 Cb -0.10 -0.09 0.00 0.00 0.00 0.00 0.00 36.38 36.18 2dj4 s VAL 47 CO 0.06 0.06 0.03 -0.13 0.00 0.00 0.00 175.10 175.12 2dj4 s ARG 48 N 0.61 0.07 -0.10 2.72 1.81 0.43 -4.82 118.95 119.67 2dj4 s ARG 48 Ca -0.05 -0.03 0.03 0.00 -1.72 0.00 0.00 55.73 53.95 2dj4 s ARG 48 Cb -0.08 0.03 0.01 0.00 -0.45 0.00 0.00 34.95 34.46 2dj4 s ARG 48 CO -0.02 -0.01 -0.19 0.08 -0.68 0.00 0.00 175.30 174.49 2dj4 s VAL 49 N -0.15 1.71 -0.11 3.52 1.01 -1.26 -0.03 120.40 125.08 2dj4 s VAL 49 Ca -0.02 -0.79 0.01 0.00 0.00 0.00 0.00 61.98 61.19 2dj4 s VAL 49 Cb -0.01 -1.52 0.02 0.00 0.00 0.00 0.00 36.38 34.87 2dj4 s VAL 49 CO -0.00 0.48 -0.15 -0.76 0.00 0.00 0.00 175.10 174.67 2dj4 s LEU 50 N 0.71 1.72 0.96 3.92 2.01 -0.10 -3.40 118.68 124.50 2dj4 s LEU 50 Ca -0.12 -0.44 -0.12 0.00 0.01 0.00 0.00 54.13 53.46 2dj4 s LEU 50 Cb -0.16 -1.11 0.17 0.00 0.01 0.00 0.00 46.19 45.10 2dj4 s LEU 50 CO 0.02 0.00 1.09 -0.83 1.01 0.00 0.00 176.35 177.65 2dj4 s GLY 51 N 1.06 1.58 0.01 -3.19 0.00 0.32 -2.23 107.32 104.88 2dj4 s GLY 51 Ca -0.05 -0.25 -0.23 0.00 0.00 0.00 0.00 44.72 44.19 2dj4 s GLY 51 CO -0.03 0.32 1.31 -0.56 0.00 0.00 0.00 173.10 174.14 2dj4 h PRO 52 N -1.78 0.21 -0.24 2.90 0.13 -1.89 -3.28 132.00 128.05 2dj4 h PRO 52 Ca -0.53 -0.11 -0.18 0.00 -0.87 0.00 0.00 66.00 64.31 2dj4 h PRO 52 Cb 1.31 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.45 2dj4 h PRO 52 CO 0.56 0.64 -0.57 0.00 -0.23 0.00 0.00 178.00 178.40 2dj4 h ARG 53 N -0.21 0.76 0.00 0.86 -0.00 -1.94 -3.47 114.38 110.39 2dj4 h ARG 53 Ca 0.01 -0.49 0.00 0.00 -0.50 0.00 0.00 59.98 59.00 2dj4 h ARG 53 Cb 0.60 0.06 0.00 0.00 0.00 0.00 0.00 29.97 30.63 2dj4 h ARG 53 CO 0.02 1.12 0.00 0.41 0.00 0.00 0.00 179.97 181.52 2dj4 n GLY 54 N 0.36 0.00 3.89 0.04 0.00 -1.24 -5.16 105.19 103.08 2dj4 n GLY 54 Ca -0.04 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.66 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 4.26 -0.24 0.99 2.96 -1.26 -4.88 118.68 120.52 2dj4 s LEU 55 Ca 0.00 0.68 -0.01 0.00 -0.22 0.00 0.00 54.13 54.58 2dj4 s LEU 55 Cb 0.00 -3.33 0.02 0.00 0.50 0.00 0.00 46.19 43.38 2dj4 s LEU 55 CO 0.00 0.05 -0.08 -0.69 -1.32 0.00 0.00 176.35 174.31 2dj4 s VAL 56 N -1.65 2.80 -0.05 1.68 1.01 -1.26 -0.52 120.40 122.41 2dj4 s VAL 56 Ca 0.41 -0.97 0.04 0.00 0.00 0.00 0.00 61.98 61.46 2dj4 s VAL 56 Cb -0.12 -2.38 -0.02 0.00 0.00 0.00 0.00 36.38 33.85 2dj4 s VAL 56 CO 0.23 0.26 -0.17 -1.61 0.00 0.00 0.00 175.10 173.81 2dj4 s GLU 57 N 1.33 2.46 1.13 2.72 0.41 -1.22 -5.05 118.70 120.49 2dj4 s GLU 57 Ca 0.01 -0.75 -0.17 0.00 -0.41 0.00 0.00 54.97 53.65 2dj4 s GLU 57 Cb -0.16 -2.31 0.25 0.00 -1.78 0.00 0.00 34.13 30.13 2dj4 s GLU 57 CO -0.05 0.58 1.10 -1.25 -0.49 0.00 0.00 175.26 175.15 2dj4 s PRO 58 N -0.63 -0.64 0.08 0.39 0.04 -1.26 -4.09 135.00 128.89 2dj4 s PRO 58 Ca 0.09 0.15 -0.01 0.00 0.04 0.00 0.00 61.00 61.27 2dj4 s PRO 58 Cb -0.11 -1.65 -0.04 0.00 0.04 0.00 0.00 34.50 32.75 2dj4 s PRO 58 CO 0.01 -3.37 0.01 0.14 0.04 0.00 0.00 177.00 173.83 2dj4 s VAL 59 N -2.99 0.17 -0.04 -0.36 -7.23 -1.26 -4.86 120.40 103.83 2dj4 s VAL 59 Ca 0.69 -1.82 0.06 0.00 -1.81 0.00 0.00 61.98 59.09 2dj4 s VAL 59 Cb -0.13 -1.72 -0.02 0.00 0.56 0.00 0.00 36.38 35.07 2dj4 s VAL 59 CO 0.57 -0.77 -0.21 0.21 -0.31 0.00 0.00 175.10 174.58 2dj4 s ASN 60 N -2.97 3.46 -0.10 4.85 2.47 -1.08 -5.01 114.94 116.56 2dj4 s ASN 60 Ca 0.14 -0.37 -0.01 0.00 0.42 0.00 0.00 52.86 53.04 2dj4 s ASN 60 Cb 0.08 -0.69 0.03 0.00 -1.45 0.00 0.00 41.25 39.22 2dj4 s ASN 60 CO -0.05 0.31 -0.05 0.54 -3.72 0.00 0.00 177.10 174.12 2dj4 s VAL 61 N -0.51 0.79 -0.03 -5.21 0.11 -1.26 -3.59 120.40 110.69 2dj4 s VAL 61 Ca 0.07 -0.14 -0.01 0.00 -2.93 0.00 0.00 61.98 58.97 2dj4 s VAL 61 Cb -0.11 -0.86 0.03 0.00 -1.53 0.00 0.00 36.38 33.90 2dj4 s VAL 61 CO 0.01 0.33 0.03 -0.69 -3.33 0.00 0.00 175.10 171.44 2dj4 s VAL 62 N 1.80 0.05 0.09 2.04 1.01 -0.74 -5.01 120.40 119.64 2dj4 s VAL 62 Ca 0.05 0.22 -0.30 0.00 0.00 0.00 0.00 61.98 61.95 2dj4 s VAL 62 Cb -0.12 -0.21 -0.05 0.00 0.00 0.00 0.00 36.38 36.00 2dj4 s VAL 62 CO -0.07 0.15 1.00 -0.62 0.00 0.00 0.00 175.10 175.56 2dj4 s ASP 63 N 1.43 7.41 -0.03 3.32 2.15 -1.26 -0.46 116.67 129.24 2dj4 s ASP 63 Ca -0.04 1.81 -0.23 0.00 0.43 0.00 0.00 52.55 54.52 2dj4 s ASP 63 Cb -0.13 -2.58 -0.23 0.00 -0.30 0.00 0.00 42.92 39.68 2dj4 s ASP 63 CO -0.03 -0.16 1.08 0.78 -0.17 0.00 0.00 175.17 176.67 2dj4 h ASN 64 N 5.91 0.32 0.00 -0.34 2.35 -1.71 -3.47 115.58 118.64 2dj4 h ASN 64 Ca -0.42 -0.75 0.00 0.00 -0.55 0.00 0.00 56.30 54.58 2dj4 h ASN 64 Cb 1.21 -0.10 0.00 0.00 0.05 0.00 0.00 38.32 39.48 2dj4 h ASN 64 CO 0.73 1.03 0.00 0.61 -1.65 0.00 0.00 177.43 178.15 2dj4 n GLY 65 N 0.98 1.78 0.12 2.83 0.00 -1.26 -4.93 105.19 104.71 2dj4 n GLY 65 Ca -0.10 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.71 2dj4 n GLY 65 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 2dj4 h ASP 66 N 0.65 0.29 0.00 1.61 5.19 -2.03 -3.47 116.42 118.66 2dj4 h ASP 66 Ca 0.00 -0.80 0.00 0.00 -0.62 0.00 0.00 57.03 55.61 2dj4 h ASP 66 Cb 0.00 -0.09 0.00 0.00 0.18 0.00 0.00 39.33 39.42 2dj4 h ASP 66 CO 0.00 1.66 0.00 0.61 -3.12 0.00 0.00 179.24 178.39 2dj4 n GLY 67 N 1.74 0.00 3.57 2.75 0.00 -1.26 -5.06 105.19 106.93 2dj4 n GLY 67 Ca -0.29 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.60 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 -0.10 2.61 -4.23 -1.26 -3.60 115.64 109.05 2dj4 s THR 68 Ca 0.00 -1.45 -0.05 0.00 -1.18 0.00 0.00 61.69 59.01 2dj4 s THR 68 Cb 0.00 -2.64 0.05 0.00 1.34 0.00 0.00 72.50 71.25 2dj4 s THR 68 CO 0.00 0.00 0.23 -1.00 -0.54 0.00 0.00 174.62 173.31 2dj4 s HIS 69 N -3.00 -0.32 0.18 3.99 0.09 -0.02 -1.72 115.29 114.49 2dj4 s HIS 69 Ca 0.26 0.78 -0.21 0.00 -0.00 0.00 0.00 55.06 55.90 2dj4 s HIS 69 Cb -0.01 -0.02 -0.08 0.00 -0.00 0.00 0.00 32.58 32.47 2dj4 s HIS 69 CO 0.17 -0.26 0.71 0.99 -0.00 0.00 0.00 174.74 176.35 2dj4 s THR 70 N 1.63 4.55 -0.22 1.30 2.01 0.39 -0.67 115.64 124.64 2dj4 s THR 70 Ca -0.06 1.37 -0.02 0.00 0.31 0.00 0.00 61.69 63.30 2dj4 s THR 70 Cb -0.11 -3.94 0.07 0.00 0.01 0.00 0.00 72.50 68.53 2dj4 s THR 70 CO -0.08 0.36 0.03 -0.69 -0.69 0.00 0.00 174.62 173.55 2dj4 s VAL 71 N -1.34 0.77 -0.04 3.82 1.01 -0.99 -1.79 120.40 121.84 2dj4 s VAL 71 Ca 0.38 -0.81 -0.08 0.00 0.00 0.00 0.00 61.98 61.47 2dj4 s VAL 71 Cb -0.19 -1.28 -0.05 0.00 0.00 0.00 0.00 36.38 34.87 2dj4 s VAL 71 CO 0.22 -0.26 0.25 0.42 0.00 0.00 0.00 175.10 175.73 2dj4 s THR 72 N 1.73 5.32 0.32 3.92 -4.23 -1.24 -2.67 115.64 118.79 2dj4 s THR 72 Ca -0.00 0.30 -0.19 0.00 -1.18 0.00 0.00 61.69 60.62 2dj4 s THR 72 Cb -0.17 -3.54 0.05 0.00 1.34 0.00 0.00 72.50 70.18 2dj4 s THR 72 CO -0.10 0.49 0.81 -0.72 -0.54 0.00 0.00 174.62 174.56 2dj4 s TYR 73 N -1.17 0.01 -0.21 3.99 1.13 0.45 -2.63 117.35 118.91 2dj4 s TYR 73 Ca 0.23 -0.57 -0.04 0.00 -1.41 0.00 0.00 57.07 55.28 2dj4 s TYR 73 Cb -0.13 0.77 0.11 0.00 -1.10 0.00 0.00 41.96 41.61 2dj4 s TYR 73 CO 0.12 -1.35 0.36 0.99 -2.51 0.00 0.00 175.55 173.16 2dj4 s THR 74 N -2.80 -0.57 -0.93 -3.49 2.01 -1.26 -0.58 115.64 108.02 2dj4 s THR 74 Ca 0.15 0.04 -0.24 0.00 0.31 0.00 0.00 61.69 61.95 2dj4 s THR 74 Cb -0.05 -0.71 -0.05 0.00 0.01 0.00 0.00 72.50 71.70 2dj4 s THR 74 CO 0.09 -0.04 1.95 -2.16 -0.69 0.00 0.00 174.62 173.76 2dj4 s PRO 75 N 2.53 2.55 0.19 4.92 0.04 -1.26 -4.84 135.00 139.12 2dj4 s PRO 75 Ca 0.07 -0.37 -0.12 0.00 0.04 0.00 0.00 61.00 60.61 2dj4 s PRO 75 Cb -0.14 -5.08 0.22 0.00 0.04 0.00 0.00 34.50 29.54 2dj4 s PRO 75 CO -0.14 -3.44 1.22 0.45 0.04 0.00 0.00 177.00 175.13 2dj4 n SER 76 N 14.03 -0.47 -4.52 6.66 2.88 -1.26 -0.56 113.62 130.38 2dj4 n SER 76 Ca 0.41 1.36 -0.25 0.00 -1.33 0.00 0.00 58.87 59.06 2dj4 n SER 76 Cb 0.47 -0.33 -0.11 0.00 -0.75 0.00 0.00 64.21 63.49 2dj4 n SER 76 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2dj4 s GLN 77 N -5.79 1.76 0.56 -1.46 -2.07 -1.26 -3.73 119.66 107.67 2dj4 s GLN 77 Ca -0.11 -1.93 -0.03 0.00 -1.82 0.00 0.00 55.36 51.47 2dj4 s GLN 77 Cb 0.17 -1.45 0.02 0.00 -1.09 0.00 0.00 33.01 30.66 2dj4 s GLN 77 CO 0.57 0.03 0.82 -1.83 -1.32 0.00 0.00 175.29 173.56 2dj4 s GLU 78 N -3.70 2.78 0.00 9.60 1.03 -1.26 -4.77 118.70 122.38 2dj4 s GLU 78 Ca 0.33 -0.35 0.00 0.00 0.03 0.00 0.00 54.97 54.98 2dj4 s GLU 78 Cb 0.05 -2.39 0.00 0.00 -0.80 0.00 0.00 34.13 30.99 2dj4 s GLU 78 CO 0.15 -0.65 0.00 0.41 -1.33 0.00 0.00 175.26 173.85 2dj4 n GLY 79 N -2.43 1.03 3.57 -3.83 0.00 -0.77 -4.94 105.19 97.82 2dj4 n GLY 79 Ca 0.05 -2.13 -0.27 0.00 0.00 0.00 0.00 46.02 43.66 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 -1.04 2.53 0.91 1.61 0.04 -1.26 0.01 135.00 137.79 2dj4 s PRO 80 Ca 0.00 -0.61 -0.13 0.00 0.04 0.00 0.00 61.00 60.30 2dj4 s PRO 80 Cb 0.00 -5.13 0.14 0.00 0.04 0.00 0.00 34.50 29.55 2dj4 s PRO 80 CO 0.00 -3.61 1.18 0.71 0.04 0.00 0.00 177.00 175.32 2dj4 s TYR 81 N 10.45 2.39 -0.16 0.56 1.51 0.11 -4.10 117.35 128.11 2dj4 s TYR 81 Ca 0.70 0.72 -0.04 0.00 -1.01 0.00 0.00 57.07 57.44 2dj4 s TYR 81 Cb -0.05 -3.53 0.07 0.00 -0.11 0.00 0.00 41.96 38.34 2dj4 s TYR 81 CO 0.04 -2.32 0.18 1.41 -1.11 0.00 0.00 175.55 173.75 2dj4 s MET 82 N -5.47 0.12 -0.54 -0.62 1.75 -0.95 -2.35 119.30 111.24 2dj4 s MET 82 Ca 0.65 0.28 -0.07 0.00 -1.25 0.00 0.00 55.69 55.30 2dj4 s MET 82 Cb -0.12 -1.01 0.14 0.00 2.84 0.00 0.00 34.83 36.69 2dj4 s MET 82 CO 0.52 -0.54 0.39 0.08 -0.65 0.00 0.00 175.02 174.82 2dj4 s VAL 83 N 2.29 4.02 0.32 10.11 1.01 -0.04 -0.92 120.40 137.19 2dj4 s VAL 83 Ca 0.05 -2.27 -0.23 0.00 0.00 0.00 0.00 61.98 59.53 2dj4 s VAL 83 Cb -0.15 -3.64 -0.10 0.00 0.00 0.00 0.00 36.38 32.50 2dj4 s VAL 83 CO -0.10 -0.82 0.89 -0.44 0.00 0.00 0.00 175.10 174.64 2dj4 s SER 84 N 1.86 7.19 -0.00 3.32 0.01 0.96 -1.52 113.70 125.51 2dj4 s SER 84 Ca 0.11 1.70 0.00 0.00 1.31 0.00 0.00 55.95 59.07 2dj4 s SER 84 Cb -0.22 -2.53 0.00 0.00 0.21 0.00 0.00 66.02 63.48 2dj4 s SER 84 CO -0.03 -0.10 -0.00 -0.69 0.41 0.00 0.00 173.24 172.83 2dj4 s VAL 85 N -1.70 0.06 0.35 3.43 1.01 -1.26 -0.42 120.40 121.87 2dj4 s VAL 85 Ca 0.51 -0.01 0.05 0.00 0.00 0.00 0.00 61.98 62.53 2dj4 s VAL 85 Cb -0.16 -0.08 -0.07 0.00 0.00 0.00 0.00 36.38 36.07 2dj4 s VAL 85 CO 0.21 0.03 0.05 -0.75 0.00 0.00 0.00 175.10 174.64 2dj4 s LYS 86 N 0.14 1.74 -0.27 2.72 2.20 -0.74 -3.39 119.74 122.14 2dj4 s LYS 86 Ca -0.01 -1.98 -0.02 0.00 -0.36 0.00 0.00 55.97 53.60 2dj4 s LYS 86 Cb -0.02 -1.07 0.16 0.00 -1.51 0.00 0.00 37.83 35.38 2dj4 s LYS 86 CO -0.00 -0.16 0.48 -0.47 -0.36 0.00 0.00 175.35 174.84 2dj4 s TYR 87 N -3.14 -1.17 -1.26 4.03 5.04 -0.99 -1.46 117.35 118.41 2dj4 s TYR 87 Ca 0.36 1.28 -0.08 0.00 -2.44 0.00 0.00 57.07 56.19 2dj4 s TYR 87 Cb 0.09 0.29 0.01 0.00 0.35 0.00 0.00 41.96 42.69 2dj4 s TYR 87 CO 0.16 -0.78 1.07 0.00 -1.34 0.00 0.00 175.55 174.66 2dj4 n ALA 88 N 5.40 -1.19 -2.85 3.97 0.00 -1.18 -2.09 120.51 122.57 2dj4 n ALA 88 Ca -0.03 0.37 -0.16 0.00 0.00 0.00 0.00 53.44 53.62 2dj4 n ALA 88 Cb 0.50 -5.07 0.03 0.00 0.00 0.00 0.00 19.45 14.92 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 -2.63 -4.92 -3.46 0.00 8.00 -1.26 -5.00 116.55 107.28 2dj4 n ASP 89 Ca 0.00 -0.22 -0.19 0.00 0.71 0.00 0.00 54.79 55.09 2dj4 n ASP 89 Cb 0.56 -3.76 -0.12 0.00 -0.02 0.00 0.00 41.12 37.78 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 -5.42 0.25 -0.17 -1.24 2.02 -0.89 -5.11 118.70 108.14 2dj4 s GLU 90 Ca 0.24 -0.01 -0.35 0.00 0.02 0.00 0.00 54.97 54.87 2dj4 s GLU 90 Cb -0.10 -0.97 -0.12 0.00 0.10 0.00 0.00 34.13 33.03 2dj4 s GLU 90 CO 0.29 -0.84 1.92 0.39 0.02 0.00 0.00 175.26 177.04 2dj4 n GLU 91 N 5.31 1.82 -1.34 1.61 1.02 -1.26 -2.33 120.64 125.46 2dj4 n GLU 91 Ca -0.04 0.64 -0.35 0.00 -0.02 0.00 0.00 57.16 57.39 2dj4 n GLU 91 Cb 0.47 -2.55 0.09 0.00 -0.02 0.00 0.00 31.44 29.43 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 5.51 2.82 0.98 -3.67 -5.35 -1.22 -4.84 119.36 113.59 2dj4 n ILE 92 Ca 0.27 -0.35 0.04 0.00 -0.27 0.00 0.00 62.75 62.43 2dj4 n ILE 92 Cb 0.26 -1.14 0.23 0.00 -1.74 0.00 0.00 39.64 37.25 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 -2.08 0.49 -0.02 6.28 -0.04 -1.26 -1.72 135.00 136.64 2dj4 n PRO 93 Ca 0.13 0.00 0.01 0.00 -0.04 0.00 0.00 63.50 63.60 2dj4 n PRO 93 Cb 0.49 -1.24 0.02 0.00 -0.04 0.00 0.00 33.50 32.73 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 -0.74 1.61 -4.42 0.54 1.74 -1.26 -5.03 116.66 109.10 2dj4 n ARG 94 Ca 0.06 -1.23 -0.27 0.00 -0.77 0.00 0.00 57.85 55.64 2dj4 n ARG 94 Cb 0.03 -1.04 -0.12 0.00 -1.02 0.00 0.00 32.46 30.31 2dj4 n ARG 94 CO 0.00 0.00 0.00 0.45 -1.52 0.00 0.00 177.63 176.56 2dj4 s SER 95 N -0.69 3.46 1.23 0.55 0.15 -0.70 -4.26 113.70 113.44 2dj4 s SER 95 Ca 0.03 -0.85 -0.20 0.00 0.70 0.00 0.00 55.95 55.63 2dj4 s SER 95 Cb 0.02 -0.27 0.30 0.00 -1.71 0.00 0.00 66.02 64.36 2dj4 s SER 95 CO 0.02 0.12 1.11 -2.16 1.20 0.00 0.00 173.24 173.54 2dj4 s PRO 96 N -2.65 -1.44 -0.15 5.44 0.04 -1.26 -4.80 135.00 130.17 2dj4 s PRO 96 Ca 0.21 -0.14 -0.00 0.00 0.04 0.00 0.00 61.00 61.10 2dj4 s PRO 96 Cb -0.08 -1.58 -0.01 0.00 0.04 0.00 0.00 34.50 32.88 2dj4 s PRO 96 CO 0.10 -3.84 -0.14 -0.06 0.04 0.00 0.00 177.00 173.10 2dj4 s PHE 97 N -3.01 2.80 -0.49 0.56 0.40 -0.57 -4.94 117.98 112.71 2dj4 s PHE 97 Ca 0.72 -0.92 -0.21 0.00 -0.60 0.00 0.00 56.93 55.92 2dj4 s PHE 97 Cb -0.08 -1.88 0.04 0.00 0.51 0.00 0.00 43.02 41.60 2dj4 s PHE 97 CO 0.56 -0.40 0.73 -1.59 0.70 0.00 0.00 175.22 175.21 2dj4 s LYS 98 N 0.71 3.25 -0.30 0.44 -2.85 -1.26 -0.86 119.74 118.87 2dj4 s LYS 98 Ca -0.07 -0.49 0.01 0.00 -1.00 0.00 0.00 55.97 54.42 2dj4 s LYS 98 Cb -0.15 -4.02 0.07 0.00 -2.06 0.00 0.00 37.83 31.66 2dj4 s LYS 98 CO 0.02 -1.21 -0.03 0.08 0.10 0.00 0.00 175.35 174.31 2dj4 s VAL 99 N 3.08 2.55 -0.76 1.79 1.01 -0.99 -5.00 120.40 122.08 2dj4 s VAL 99 Ca 0.23 -1.68 -0.24 0.00 0.00 0.00 0.00 61.98 60.29 2dj4 s VAL 99 Cb -0.15 -2.56 0.06 0.00 0.00 0.00 0.00 36.38 33.73 2dj4 s VAL 99 CO 0.17 -0.19 1.15 -0.75 0.00 0.00 0.00 175.10 175.48 2dj4 s LYS 100 N 1.13 3.25 0.49 2.72 2.20 -1.26 0.06 119.74 128.32 2dj4 s LYS 100 Ca -0.04 -0.78 -0.22 0.00 -0.36 0.00 0.00 55.97 54.57 2dj4 s LYS 100 Cb -0.20 -4.43 -0.07 0.00 -1.51 0.00 0.00 37.83 31.62 2dj4 s LYS 100 CO -0.04 -1.97 1.17 0.08 -0.36 0.00 0.00 175.35 174.23 2dj4 s VAL 101 N 4.57 3.06 0.19 4.02 1.01 0.10 -4.64 120.40 128.71 2dj4 s VAL 101 Ca 0.30 0.76 0.08 0.00 0.00 0.00 0.00 61.98 63.12 2dj4 s VAL 101 Cb -0.11 -3.36 -0.04 0.00 0.00 0.00 0.00 36.38 32.87 2dj4 s VAL 101 CO 0.07 -0.05 -0.03 -0.76 0.00 0.00 0.00 175.10 174.33 2dj4 s LEU 102 N -3.27 3.19 -0.01 3.92 1.43 0.17 -1.86 118.68 122.26 2dj4 s LEU 102 Ca 0.67 -0.49 -0.30 0.00 -1.03 0.00 0.00 54.13 52.97 2dj4 s LEU 102 Cb -0.28 -1.83 -0.06 0.00 0.03 0.00 0.00 46.19 44.05 2dj4 s LEU 102 CO 0.33 0.08 1.46 -2.16 0.23 0.00 0.00 176.35 176.29 2dj4 s PRO 103 N -3.04 4.25 0.37 1.29 0.04 -1.26 0.37 135.00 137.03 2dj4 s PRO 103 Ca 0.27 2.02 0.31 0.00 0.04 0.00 0.00 61.00 63.65 2dj4 s PRO 103 Cb -0.09 -3.66 1.19 0.00 0.04 0.00 0.00 34.50 31.99 2dj4 s PRO 103 CO 0.18 -0.65 1.15 2.41 0.04 0.00 0.00 177.00 180.13 2dj4 n THR 104 N 4.86 -0.09 -3.84 1.26 -1.04 -1.26 -4.00 114.28 110.17 2dj4 n THR 104 Ca 0.14 1.21 -0.36 0.00 -2.04 0.00 0.00 64.05 63.00 2dj4 n THR 104 Cb 0.43 -1.99 -0.07 0.00 -1.82 0.00 0.00 70.33 66.88 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 -4.57 3.51 -0.66 -1.42 1.51 -1.26 -4.97 117.35 109.49 2dj4 s TYR 105 Ca -0.04 0.44 0.07 0.00 -1.01 0.00 0.00 57.07 56.52 2dj4 s TYR 105 Cb 0.21 -2.02 0.15 0.00 -0.11 0.00 0.00 41.96 40.19 2dj4 s TYR 105 CO 0.63 0.55 1.04 -0.40 -1.11 0.00 0.00 175.55 176.27 2dj4 n ASP 106 N 2.59 2.31 -4.44 2.29 5.68 -1.26 -4.98 116.55 118.75 2dj4 n ASP 106 Ca -0.18 -1.81 -0.40 0.00 -0.50 0.00 0.00 54.79 51.90 2dj4 n ASP 106 Cb 0.54 -0.11 -0.07 0.00 -1.14 0.00 0.00 41.12 40.34 2dj4 n ASP 106 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 2dj4 n ALA 107 N 0.20 -1.33 -0.45 2.12 0.00 -1.26 -5.19 120.51 114.60 2dj4 n ALA 107 Ca 0.06 -0.19 0.00 0.00 0.00 0.00 0.00 53.44 53.31 2dj4 n ALA 107 Cb 0.31 -2.52 0.00 0.00 0.00 0.00 0.00 19.45 17.24 2dj4 n ALA 107 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95