#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 -4.33 -4.65 1.61 2.88 -1.26 -5.02 113.62 102.86 2dj4 n SER 2 Ca 0.00 -0.42 -0.31 0.00 -1.33 0.00 0.00 58.87 56.81 2dj4 n SER 2 Cb 0.00 -3.90 -0.09 0.00 -0.75 0.00 0.00 64.21 59.47 2dj4 n SER 2 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 2dj4 s SER 3 N -3.47 4.85 0.00 -3.46 0.15 -1.26 -5.07 113.70 105.45 2dj4 s SER 3 Ca 0.31 -0.16 0.00 0.00 0.70 0.00 0.00 55.95 56.80 2dj4 s SER 3 Cb -0.14 -1.15 0.00 0.00 -1.71 0.00 0.00 66.02 63.02 2dj4 s SER 3 CO 0.54 0.23 0.00 0.61 1.20 0.00 0.00 173.24 175.82 2dj4 n GLY 4 N 1.06 1.30 3.48 9.45 0.00 -1.26 -5.06 105.19 114.16 2dj4 n GLY 4 Ca -0.13 -1.94 -0.39 0.00 0.00 0.00 0.00 46.02 43.55 2dj4 n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2dj4 s SER 5 N 0.00 5.80 -0.48 1.61 1.04 -1.26 -4.97 113.70 115.44 2dj4 s SER 5 Ca 0.00 -0.48 -0.02 0.00 0.48 0.00 0.00 55.95 55.93 2dj4 s SER 5 Cb 0.00 -2.07 0.25 0.00 0.10 0.00 0.00 66.02 64.30 2dj4 s SER 5 CO 0.00 -0.22 2.20 -1.20 0.98 0.00 0.00 173.24 175.00 2dj4 n SER 6 N 5.04 6.87 -3.57 7.02 7.64 -1.26 -4.81 113.62 130.56 2dj4 n SER 6 Ca -0.13 -3.34 -0.19 0.00 1.01 0.00 0.00 58.87 56.21 2dj4 n SER 6 Cb 0.49 -1.08 0.06 0.00 -1.01 0.00 0.00 64.21 62.67 2dj4 n SER 6 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2dj4 n GLY 7 N 0.08 -0.32 3.12 0.23 0.00 -1.26 -5.01 105.19 102.03 2dj4 n GLY 7 Ca 0.44 0.11 -0.20 0.00 0.00 0.00 0.00 46.02 46.37 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 -3.51 1.08 -0.12 1.61 0.11 -1.26 -5.14 120.40 113.16 2dj4 s VAL 8 Ca 0.00 -0.86 -0.03 0.00 -2.93 0.00 0.00 61.98 58.17 2dj4 s VAL 8 Cb -0.00 -0.95 -0.03 0.00 -1.53 0.00 0.00 36.38 33.86 2dj4 s VAL 8 CO 0.77 0.09 -0.02 -0.69 -3.33 0.00 0.00 175.10 171.92 2dj4 s VAL 9 N -0.68 4.09 -0.34 2.04 1.01 -1.26 -4.62 120.40 120.64 2dj4 s VAL 9 Ca 0.03 -0.31 -0.01 0.00 0.00 0.00 0.00 61.98 61.69 2dj4 s VAL 9 Cb -0.07 -2.75 0.11 0.00 0.00 0.00 0.00 36.38 33.67 2dj4 s VAL 9 CO 0.01 0.55 0.14 -1.81 0.00 0.00 0.00 175.10 173.99 2dj4 s ASP 10 N -0.28 3.75 0.00 3.32 1.01 0.10 -4.97 116.67 119.60 2dj4 s ASP 10 Ca 0.05 -1.84 0.15 0.00 0.71 0.00 0.00 52.55 51.63 2dj4 s ASP 10 Cb -0.12 -0.76 0.88 0.00 1.01 0.00 0.00 42.92 43.93 2dj4 s ASP 10 CO 0.02 -0.38 1.36 -0.81 0.21 0.00 0.00 175.17 175.57 2dj4 n PRO 11 N 4.57 0.41 -0.49 8.23 -0.04 -1.26 -2.11 135.00 144.31 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 0.34 0.00 -0.04 0.00 0.00 33.50 32.69 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 -1.08 4.34 -0.01 3.54 7.64 -1.26 -4.09 113.62 122.71 2dj4 n SER 12 Ca 0.10 -2.24 0.01 0.00 1.01 0.00 0.00 58.87 57.76 2dj4 n SER 12 Cb 0.07 -0.53 -0.01 0.00 -1.01 0.00 0.00 64.21 62.73 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 1.31 5.55 -2.86 1.43 4.76 -0.90 -4.96 118.16 122.50 2dj4 n LYS 13 Ca 0.25 -0.06 -0.40 0.00 -2.87 0.00 0.00 58.31 55.23 2dj4 n LYS 13 Cb 0.76 -0.66 -0.05 0.00 -1.84 0.00 0.00 35.03 33.23 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 -1.17 4.53 0.25 -0.18 0.11 -1.26 -4.40 120.40 118.28 2dj4 s VAL 14 Ca 0.01 1.85 0.02 0.00 -2.93 0.00 0.00 61.98 60.94 2dj4 s VAL 14 Cb 0.02 -4.22 -0.05 0.00 -1.53 0.00 0.00 36.38 30.60 2dj4 s VAL 14 CO 0.10 0.38 0.05 -0.54 -3.33 0.00 0.00 175.10 171.77 2dj4 s LYS 15 N -0.29 1.38 -0.07 1.54 1.02 -0.30 -4.92 119.74 118.10 2dj4 s LYS 15 Ca 0.42 -1.73 -0.05 0.00 0.02 0.00 0.00 55.97 54.63 2dj4 s LYS 15 Cb -0.22 -0.45 0.03 0.00 -0.52 0.00 0.00 37.83 36.66 2dj4 s LYS 15 CO 0.27 -0.20 0.16 0.96 -0.92 0.00 0.00 175.35 175.62 2dj4 s ILE 16 N -3.58 -0.02 -0.04 2.17 -4.36 -1.26 -0.12 121.20 113.99 2dj4 s ILE 16 Ca 0.33 0.08 -0.02 0.00 -0.26 0.00 0.00 60.65 60.78 2dj4 s ILE 16 Cb 0.07 -0.25 0.03 0.00 1.25 0.00 0.00 42.46 43.56 2dj4 s ILE 16 CO 0.11 0.03 0.09 0.00 0.24 0.00 0.00 174.94 175.41 2dj4 s ALA 17 N 0.60 -0.13 0.00 2.27 0.00 -0.11 -4.98 121.76 119.40 2dj4 s ALA 17 Ca -0.04 0.42 0.00 0.00 0.00 0.00 0.00 51.96 52.34 2dj4 s ALA 17 Cb -0.06 -0.29 0.00 0.00 0.00 0.00 0.00 23.12 22.77 2dj4 s ALA 17 CO -0.03 -0.10 0.00 0.41 0.00 0.00 0.00 175.76 176.04 2dj4 n GLY 18 N 3.84 -0.09 0.22 0.00 0.00 -1.26 -1.38 105.19 106.51 2dj4 n GLY 18 Ca -0.22 -1.04 -0.07 0.00 0.00 0.00 0.00 46.02 44.68 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 0.51 -0.81 1.61 0.13 -1.96 -2.84 132.00 128.64 2dj4 h PRO 19 Ca 0.00 -0.27 0.09 0.00 -0.87 0.00 0.00 66.00 64.95 2dj4 h PRO 19 Cb 0.00 0.01 -0.07 0.00 0.13 0.00 0.00 31.00 31.07 2dj4 h PRO 19 CO 0.00 0.85 0.46 0.78 -0.23 0.00 0.00 178.00 179.86 2dj4 h GLY 20 N 1.10 1.25 2.00 1.56 0.00 -1.64 -1.48 103.07 105.86 2dj4 h GLY 20 Ca 0.03 -0.31 -0.15 0.00 0.00 0.00 0.00 47.33 46.90 2dj4 h GLY 20 CO 0.08 0.13 -0.73 1.41 0.00 0.00 0.00 176.54 177.44 2dj4 h LEU 21 N 0.78 0.00 -9.11 3.11 3.38 -1.81 -3.47 115.31 108.20 2dj4 h LEU 21 Ca 0.39 0.00 -0.28 0.00 0.09 0.00 0.00 57.88 58.08 2dj4 h LEU 21 Cb 0.34 0.00 0.15 0.00 0.09 0.00 0.00 40.66 41.24 2dj4 h LEU 21 CO -0.24 0.73 -0.65 0.61 0.09 0.00 0.00 178.44 178.98 2dj4 n GLY 22 N 0.95 -2.45 0.08 0.83 0.00 -0.56 -4.82 105.19 99.23 2dj4 n GLY 22 Ca 0.00 -0.70 0.11 0.00 0.00 0.00 0.00 46.02 45.43 2dj4 n GLY 22 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2dj4 n SER 23 N -0.69 0.67 -2.18 1.61 2.88 -1.26 -4.32 113.62 110.32 2dj4 n SER 23 Ca 0.04 0.13 -0.18 0.00 -1.33 0.00 0.00 58.87 57.53 2dj4 n SER 23 Cb 0.42 0.68 -0.10 0.00 -0.75 0.00 0.00 64.21 64.47 2dj4 n SER 23 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2dj4 n GLY 24 N 1.26 3.63 3.84 0.46 0.00 -1.26 -4.82 105.19 108.30 2dj4 n GLY 24 Ca 0.00 -1.43 -0.38 0.00 0.00 0.00 0.00 46.02 44.22 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 -0.68 5.09 0.10 1.61 1.01 -1.26 -5.02 120.40 121.25 2dj4 s VAL 25 Ca 0.57 0.73 0.10 0.00 0.00 0.00 0.00 61.98 63.38 2dj4 s VAL 25 Cb 0.32 -3.67 -0.04 0.00 0.00 0.00 0.00 36.38 33.00 2dj4 s VAL 25 CO -0.10 0.55 -0.23 -0.13 0.00 0.00 0.00 175.10 175.19 2dj4 s ARG 26 N -1.17 1.65 0.61 2.72 0.52 -1.26 0.23 118.95 122.25 2dj4 s ARG 26 Ca 0.24 -1.22 -0.16 0.00 -0.52 0.00 0.00 55.73 54.06 2dj4 s ARG 26 Cb -0.16 -2.01 -0.02 0.00 0.52 0.00 0.00 34.95 33.28 2dj4 s ARG 26 CO 0.13 0.48 1.10 0.00 0.02 0.00 0.00 175.30 177.03 2dj4 s ALA 27 N -1.03 2.58 -1.49 2.13 0.00 0.20 -3.42 121.76 120.73 2dj4 s ALA 27 Ca 0.15 0.60 -0.12 0.00 0.00 0.00 0.00 51.96 52.59 2dj4 s ALA 27 Cb -0.10 -3.31 0.06 0.00 0.00 0.00 0.00 23.12 19.77 2dj4 s ALA 27 CO 0.07 -1.04 0.95 0.54 0.00 0.00 0.00 175.76 176.28 2dj4 n ARG 28 N -2.02 -5.76 -4.20 0.00 1.74 -0.29 -4.35 116.66 101.80 2dj4 n ARG 28 Ca 0.10 0.66 -0.16 0.00 -0.77 0.00 0.00 57.85 57.68 2dj4 n ARG 28 Cb 0.52 -5.57 -0.14 0.00 -1.02 0.00 0.00 32.46 26.26 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 -3.26 0.58 -0.19 1.55 1.01 -1.22 -5.02 120.40 113.85 2dj4 s VAL 29 Ca 0.60 -0.55 -0.29 0.00 0.00 0.00 0.00 61.98 61.74 2dj4 s VAL 29 Cb -0.29 -0.53 -0.04 0.00 0.00 0.00 0.00 36.38 35.51 2dj4 s VAL 29 CO 0.74 -0.01 1.80 -0.22 0.00 0.00 0.00 175.10 177.42 2dj4 s LEU 30 N -0.62 3.87 -0.12 3.92 2.96 -1.26 -4.22 118.68 123.20 2dj4 s LEU 30 Ca -0.01 1.82 0.02 0.00 -0.22 0.00 0.00 54.13 55.74 2dj4 s LEU 30 Cb -0.05 -3.53 -0.00 0.00 0.50 0.00 0.00 46.19 43.11 2dj4 s LEU 30 CO 0.00 -1.39 -0.19 -1.10 -1.32 0.00 0.00 176.35 172.35 2dj4 s GLN 31 N 5.03 3.17 0.12 1.98 -1.52 0.09 -4.98 119.66 123.55 2dj4 s GLN 31 Ca 0.80 -0.80 -0.01 0.00 -1.95 0.00 0.00 55.36 53.40 2dj4 s GLN 31 Cb -0.29 -2.47 -0.04 0.00 -0.22 0.00 0.00 33.01 29.99 2dj4 s GLN 31 CO 0.33 0.13 0.05 0.45 -0.25 0.00 0.00 175.29 175.99 2dj4 s SER 32 N 0.51 0.35 0.25 5.90 0.15 -1.26 -0.37 113.70 119.23 2dj4 s SER 32 Ca -0.12 -1.19 -0.19 0.00 0.70 0.00 0.00 55.95 55.15 2dj4 s SER 32 Cb -0.17 0.28 0.02 0.00 -1.71 0.00 0.00 66.02 64.45 2dj4 s SER 32 CO 0.05 -0.71 0.63 0.72 1.20 0.00 0.00 173.24 175.13 2dj4 s PHE 33 N -4.03 -0.13 -0.15 3.44 -0.71 -1.14 -1.63 117.98 113.63 2dj4 s PHE 33 Ca 0.22 -0.27 -0.04 0.00 -1.04 0.00 0.00 56.93 55.80 2dj4 s PHE 33 Cb 0.07 0.55 -0.03 0.00 -1.21 0.00 0.00 43.02 42.40 2dj4 s PHE 33 CO 0.01 -1.10 -0.01 0.99 -1.34 0.00 0.00 175.22 173.78 2dj4 s THR 34 N -3.91 4.19 -0.37 -4.49 2.01 -0.48 -2.86 115.64 109.73 2dj4 s THR 34 Ca 0.11 -0.25 -0.05 0.00 0.31 0.00 0.00 61.69 61.81 2dj4 s THR 34 Cb -0.04 -2.84 0.08 0.00 0.01 0.00 0.00 72.50 69.71 2dj4 s THR 34 CO 0.03 0.50 0.15 -0.69 -0.69 0.00 0.00 174.62 173.92 2dj4 s VAL 35 N 0.21 3.52 -0.59 3.82 1.01 -0.20 -0.94 120.40 127.23 2dj4 s VAL 35 Ca -0.00 -1.58 -0.23 0.00 0.00 0.00 0.00 61.98 60.17 2dj4 s VAL 35 Cb -0.13 -3.18 0.06 0.00 0.00 0.00 0.00 36.38 33.12 2dj4 s VAL 35 CO 0.02 -0.42 0.90 -0.62 0.00 0.00 0.00 175.10 174.98 2dj4 s ASP 36 N 1.68 6.25 -0.20 3.32 2.15 0.83 -0.70 116.67 130.00 2dj4 s ASP 36 Ca 0.02 -0.73 0.13 0.00 0.43 0.00 0.00 52.55 52.40 2dj4 s ASP 36 Cb -0.22 -2.40 0.41 0.00 -0.30 0.00 0.00 42.92 40.41 2dj4 s ASP 36 CO -0.01 -1.26 1.26 -1.54 -0.17 0.00 0.00 175.17 173.45 2dj4 n SER 37 N 7.34 2.22 -0.05 -0.34 3.41 -1.17 -1.15 113.62 123.88 2dj4 n SER 37 Ca -0.02 -3.57 -0.14 0.00 -0.26 0.00 0.00 58.87 54.88 2dj4 n SER 37 Cb 0.46 -0.52 -0.02 0.00 -0.26 0.00 0.00 64.21 63.87 2dj4 n SER 37 CO 0.00 0.00 0.00 -1.28 -0.16 0.00 0.00 175.04 173.60 2dj4 h SER 38 N 0.77 0.89 1.16 4.04 0.87 -1.81 -2.97 113.55 116.51 2dj4 h SER 38 Ca 0.04 -0.50 -0.03 0.00 -1.23 0.00 0.00 61.79 60.07 2dj4 h SER 38 Cb 1.16 -0.26 -0.00 0.00 -0.44 0.00 0.00 62.40 62.86 2dj4 h SER 38 CO 0.09 1.28 -0.14 0.11 -0.53 0.00 0.00 176.83 177.64 2dj4 h LYS 39 N 0.60 0.00 -0.20 2.24 1.57 -1.84 -3.12 116.57 115.83 2dj4 h LYS 39 Ca 0.00 0.00 -0.17 0.00 -1.87 0.00 0.00 60.65 58.61 2dj4 h LYS 39 Cb 1.19 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.50 2dj4 h LYS 39 CO 0.12 0.14 -0.55 0.00 -0.57 0.00 0.00 179.45 178.59 2dj4 h ALA 40 N 1.86 0.33 0.00 3.86 0.00 -1.69 -3.44 119.26 120.19 2dj4 h ALA 40 Ca -0.00 -0.52 0.00 0.00 0.00 0.00 0.00 54.91 54.39 2dj4 h ALA 40 Cb 0.75 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.50 2dj4 h ALA 40 CO 0.02 0.54 0.00 0.41 0.00 0.00 0.00 179.25 180.22 2dj4 n GLY 41 N 0.53 0.50 0.21 0.00 0.00 -1.14 0.02 105.19 105.31 2dj4 n GLY 41 Ca -0.06 -1.21 0.08 0.00 0.00 0.00 0.00 46.02 44.82 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 2.57 -4.81 0.99 -0.00 -1.26 -4.65 117.00 109.84 2dj4 n LEU 42 Ca 0.00 -2.89 -0.33 0.00 -0.00 0.00 0.00 56.01 52.79 2dj4 n LEU 42 Cb 0.00 -0.38 -0.03 0.00 -0.00 0.00 0.00 43.42 43.01 2dj4 n LEU 42 CO 0.00 0.67 0.70 0.00 -0.00 0.00 0.00 177.39 178.77 2dj4 s ALA 43 N -2.54 2.89 0.94 1.47 0.00 -1.26 -5.04 121.76 118.21 2dj4 s ALA 43 Ca 0.29 0.45 -0.12 0.00 0.00 0.00 0.00 51.96 52.58 2dj4 s ALA 43 Cb 0.24 -3.21 0.15 0.00 0.00 0.00 0.00 23.12 20.31 2dj4 s ALA 43 CO 0.04 -0.37 1.09 -1.25 0.00 0.00 0.00 175.76 175.28 2dj4 s PRO 44 N -3.59 0.93 -0.02 0.00 0.04 -1.26 -4.83 135.00 126.27 2dj4 s PRO 44 Ca 0.64 0.70 0.06 0.00 0.04 0.00 0.00 61.00 62.44 2dj4 s PRO 44 Cb -0.14 -1.78 -0.01 0.00 0.04 0.00 0.00 34.50 32.61 2dj4 s PRO 44 CO 0.25 -2.44 -0.19 -1.17 0.04 0.00 0.00 177.00 173.50 2dj4 s LEU 45 N -6.31 2.03 0.08 -3.56 2.96 -1.26 -3.05 118.68 109.56 2dj4 s LEU 45 Ca 0.64 -0.34 0.08 0.00 -0.22 0.00 0.00 54.13 54.28 2dj4 s LEU 45 Cb -0.18 -0.98 -0.03 0.00 0.50 0.00 0.00 46.19 45.50 2dj4 s LEU 45 CO 0.57 0.23 -0.20 -0.70 -1.32 0.00 0.00 176.35 174.92 2dj4 s GLU 46 N -0.40 1.20 0.03 1.98 2.12 -0.69 -4.97 118.70 117.97 2dj4 s GLU 46 Ca 0.06 -1.06 -0.01 0.00 0.36 0.00 0.00 54.97 54.32 2dj4 s GLU 46 Cb -0.08 -1.40 -0.02 0.00 0.26 0.00 0.00 34.13 32.90 2dj4 s GLU 46 CO -0.00 0.34 -0.00 0.08 -0.54 0.00 0.00 175.26 175.13 2dj4 s VAL 47 N -1.02 0.13 -0.18 3.70 1.01 -1.26 -0.89 120.40 121.88 2dj4 s VAL 47 Ca 0.06 -1.06 -0.16 0.00 0.00 0.00 0.00 61.98 60.83 2dj4 s VAL 47 Cb -0.09 -0.55 0.05 0.00 0.00 0.00 0.00 36.38 35.79 2dj4 s VAL 47 CO 0.03 -0.58 0.47 -0.13 0.00 0.00 0.00 175.10 174.89 2dj4 s ARG 48 N -1.97 0.54 -0.16 2.72 0.52 0.19 -4.81 118.95 115.99 2dj4 s ARG 48 Ca -0.11 0.69 0.01 0.00 -0.52 0.00 0.00 55.73 55.80 2dj4 s ARG 48 Cb -0.06 0.23 0.01 0.00 0.52 0.00 0.00 34.95 35.65 2dj4 s ARG 48 CO -0.03 -0.08 -0.18 0.08 0.02 0.00 0.00 175.30 175.11 2dj4 s VAL 49 N 0.43 2.34 0.14 3.52 1.01 -1.24 0.80 120.40 127.40 2dj4 s VAL 49 Ca -0.01 -0.88 0.08 0.00 0.00 0.00 0.00 61.98 61.17 2dj4 s VAL 49 Cb -0.04 -1.97 -0.04 0.00 0.00 0.00 0.00 36.38 34.33 2dj4 s VAL 49 CO -0.02 0.53 -0.09 -0.76 0.00 0.00 0.00 175.10 174.77 2dj4 s LEU 50 N 0.93 3.04 0.42 3.92 2.01 -0.10 -2.22 118.68 126.67 2dj4 s LEU 50 Ca -0.04 -0.47 0.06 0.00 0.01 0.00 0.00 54.13 53.70 2dj4 s LEU 50 Cb -0.15 -1.77 0.01 0.00 0.01 0.00 0.00 46.19 44.28 2dj4 s LEU 50 CO -0.03 0.14 0.58 -0.83 1.01 0.00 0.00 176.35 177.21 2dj4 s GLY 51 N -2.55 1.82 0.06 -3.19 0.00 0.25 -2.48 107.32 101.23 2dj4 s GLY 51 Ca 0.23 -1.53 -0.18 0.00 0.00 0.00 0.00 44.72 43.24 2dj4 s GLY 51 CO 0.15 -1.36 1.37 -0.56 0.00 0.00 0.00 173.10 172.70 2dj4 h PRO 52 N 0.61 0.50 0.00 2.90 0.13 -1.88 -3.23 132.00 131.03 2dj4 h PRO 52 Ca -0.42 -0.26 -0.18 0.00 -0.87 0.00 0.00 66.00 64.26 2dj4 h PRO 52 Cb 1.27 0.01 -0.03 0.00 0.13 0.00 0.00 31.00 32.39 2dj4 h PRO 52 CO 0.49 0.84 -0.88 0.00 -0.23 0.00 0.00 178.00 178.22 2dj4 h ARG 53 N 0.17 0.00 0.00 0.86 -0.00 -1.96 -3.47 114.38 109.98 2dj4 h ARG 53 Ca 0.03 0.00 0.00 0.00 -0.50 0.00 0.00 59.98 59.51 2dj4 h ARG 53 Cb 0.76 0.00 0.00 0.00 0.00 0.00 0.00 29.97 30.73 2dj4 h ARG 53 CO 0.05 0.88 0.00 0.41 0.00 0.00 0.00 179.97 181.31 2dj4 n GLY 54 N 1.07 0.56 3.83 0.04 0.00 -1.22 -5.15 105.19 104.33 2dj4 n GLY 54 Ca -0.00 0.00 -0.36 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 4.36 -0.23 0.99 2.96 -1.26 -4.82 118.68 120.68 2dj4 s LEU 55 Ca 0.00 1.19 -0.01 0.00 -0.22 0.00 0.00 54.13 55.09 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 0.10 -0.09 -0.69 -1.32 0.00 0.00 176.35 174.34 2dj4 s VAL 56 N -1.45 2.74 -0.02 1.68 1.01 -1.26 0.85 120.40 123.95 2dj4 s VAL 56 Ca 0.38 -0.92 0.04 0.00 0.00 0.00 0.00 61.98 61.48 2dj4 s VAL 56 Cb -0.16 -2.32 -0.03 0.00 0.00 0.00 0.00 36.38 33.87 2dj4 s VAL 56 CO 0.20 0.32 -0.12 -1.61 0.00 0.00 0.00 175.10 173.89 2dj4 s GLU 57 N 1.34 2.49 1.15 2.72 0.41 -0.94 -5.04 118.70 120.83 2dj4 s GLU 57 Ca 0.02 -0.72 -0.18 0.00 -0.41 0.00 0.00 54.97 53.68 2dj4 s GLU 57 Cb -0.15 -2.42 0.26 0.00 -1.78 0.00 0.00 34.13 30.04 2dj4 s GLU 57 CO -0.06 0.61 1.11 -1.25 -0.49 0.00 0.00 175.26 175.17 2dj4 s PRO 58 N -1.05 -0.84 0.03 0.39 0.04 -1.26 -3.60 135.00 128.71 2dj4 s PRO 58 Ca 0.14 0.07 -0.06 0.00 0.04 0.00 0.00 61.00 61.18 2dj4 s PRO 58 Cb -0.11 -1.63 -0.01 0.00 0.04 0.00 0.00 34.50 32.80 2dj4 s PRO 58 CO 0.03 -3.49 0.12 0.08 0.04 0.00 0.00 177.00 173.79 2dj4 s VAL 59 N -3.00 0.12 -0.12 -0.36 1.01 -1.26 -4.76 120.40 112.03 2dj4 s VAL 59 Ca 0.70 -0.97 -0.08 0.00 0.00 0.00 0.00 61.98 61.63 2dj4 s VAL 59 Cb -0.12 -0.78 -0.04 0.00 0.00 0.00 0.00 36.38 35.44 2dj4 s VAL 59 CO 0.56 -0.53 0.15 0.21 0.00 0.00 0.00 175.10 175.49 2dj4 s ASN 60 N -1.94 6.40 -0.22 3.32 2.47 -1.19 -5.02 114.94 118.76 2dj4 s ASN 60 Ca -0.07 0.48 -0.02 0.00 0.42 0.00 0.00 52.86 53.66 2dj4 s ASN 60 Cb -0.03 -2.08 0.07 0.00 -1.45 0.00 0.00 41.25 37.76 2dj4 s ASN 60 CO -0.03 0.39 0.04 -0.69 -3.72 0.00 0.00 177.10 173.08 2dj4 s VAL 61 N -0.91 0.68 -0.06 -5.21 1.01 -1.26 -4.07 120.40 110.58 2dj4 s VAL 61 Ca 0.15 -0.76 0.02 0.00 0.00 0.00 0.00 61.98 61.38 2dj4 s VAL 61 Cb -0.12 -1.21 0.02 0.00 0.00 0.00 0.00 36.38 35.06 2dj4 s VAL 61 CO 0.04 -0.28 -0.08 -0.69 0.00 0.00 0.00 175.10 174.09 2dj4 s VAL 62 N 1.77 0.84 0.03 2.92 1.01 -0.91 -5.01 120.40 121.06 2dj4 s VAL 62 Ca 0.00 -0.30 -0.26 0.00 0.00 0.00 0.00 61.98 61.42 2dj4 s VAL 62 Cb -0.17 -0.80 -0.05 0.00 0.00 0.00 0.00 36.38 35.35 2dj4 s VAL 62 CO -0.11 0.29 0.79 -0.62 0.00 0.00 0.00 175.10 175.46 2dj4 s ASP 63 N 0.80 7.23 0.02 3.32 -1.08 -1.26 -0.48 116.67 125.21 2dj4 s ASP 63 Ca -0.13 1.47 -0.19 0.00 -0.52 0.00 0.00 52.55 53.18 2dj4 s ASP 63 Cb -0.15 -2.48 -0.20 0.00 -1.46 0.00 0.00 42.92 38.62 2dj4 s ASP 63 CO 0.02 -0.03 1.17 0.78 0.52 0.00 0.00 175.17 177.62 2dj4 h ASN 64 N 5.88 0.54 0.00 -0.34 2.35 -1.71 -3.48 115.58 118.82 2dj4 h ASN 64 Ca -0.43 -0.69 0.00 0.00 -0.55 0.00 0.00 56.30 54.63 2dj4 h ASN 64 Cb 1.21 -0.16 0.00 0.00 0.05 0.00 0.00 38.32 39.41 2dj4 h ASN 64 CO 0.72 1.15 0.00 0.61 -1.65 0.00 0.00 177.43 178.26 2dj4 n GLY 65 N 0.86 1.62 0.12 2.83 0.00 -1.26 -4.93 105.19 104.43 2dj4 n GLY 65 Ca -0.09 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.72 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 0.86 0.28 0.00 1.61 3.32 -2.03 -3.47 116.42 116.98 2dj4 h ASP 66 Ca 0.00 -0.79 0.00 0.00 0.02 0.00 0.00 57.03 56.26 2dj4 h ASP 66 Cb 0.00 -0.09 0.00 0.00 0.22 0.00 0.00 39.33 39.46 2dj4 h ASP 66 CO 0.00 1.66 0.00 0.61 -1.72 0.00 0.00 179.24 179.79 2dj4 n GLY 67 N 1.73 0.00 3.48 2.75 0.00 -1.26 -5.01 105.19 106.87 2dj4 n GLY 67 Ca -0.29 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.59 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 -3.02 115.64 109.65 2dj4 s THR 68 Ca 0.00 -1.62 -0.05 0.00 -1.18 0.00 0.00 61.69 58.85 2dj4 s THR 68 Cb 0.00 -2.58 0.04 0.00 1.34 0.00 0.00 72.50 71.30 2dj4 s THR 68 CO 0.00 0.00 0.21 -1.00 -0.54 0.00 0.00 174.62 173.29 2dj4 s HIS 69 N -3.23 -0.26 -0.06 3.99 0.09 0.12 -1.73 115.29 114.21 2dj4 s HIS 69 Ca 0.31 0.65 -0.16 0.00 -0.00 0.00 0.00 55.06 55.85 2dj4 s HIS 69 Cb 0.00 0.01 -0.05 0.00 -0.00 0.00 0.00 32.58 32.54 2dj4 s HIS 69 CO 0.19 -0.19 0.43 0.99 -0.00 0.00 0.00 174.74 176.16 2dj4 s THR 70 N 1.06 5.11 -0.25 1.30 2.01 0.37 -1.03 115.64 124.19 2dj4 s THR 70 Ca -0.08 0.87 -0.01 0.00 0.31 0.00 0.00 61.69 62.79 2dj4 s THR 70 Cb -0.09 -3.76 0.07 0.00 0.01 0.00 0.00 72.50 68.74 2dj4 s THR 70 CO -0.06 0.46 0.02 -0.69 -0.69 0.00 0.00 174.62 173.66 2dj4 s VAL 71 N -0.24 1.10 -0.09 3.82 1.01 -1.14 -2.14 120.40 122.73 2dj4 s VAL 71 Ca 0.24 -1.16 -0.04 0.00 0.00 0.00 0.00 61.98 61.02 2dj4 s VAL 71 Cb -0.16 -1.60 -0.04 0.00 0.00 0.00 0.00 36.38 34.59 2dj4 s VAL 71 CO 0.11 -0.34 0.07 0.42 0.00 0.00 0.00 175.10 175.37 2dj4 s THR 72 N 1.56 4.87 0.23 3.92 -4.23 -1.26 -2.89 115.64 117.85 2dj4 s THR 72 Ca 0.01 -0.08 -0.07 0.00 -1.18 0.00 0.00 61.69 60.37 2dj4 s THR 72 Cb -0.18 -3.11 0.03 0.00 1.34 0.00 0.00 72.50 70.58 2dj4 s THR 72 CO -0.12 0.57 0.43 0.00 -0.54 0.00 0.00 174.62 174.96 2dj4 n TYR 73 N 1.93 -1.62 -3.32 3.99 4.11 0.50 -3.16 117.16 119.58 2dj4 n TYR 73 Ca -0.18 -1.23 -0.02 0.00 -0.00 0.00 0.00 57.90 56.47 2dj4 n TYR 73 Cb 0.54 0.50 -0.04 0.00 -0.00 0.00 0.00 39.34 40.34 2dj4 n TYR 73 CO 0.00 0.00 0.00 0.99 -0.00 0.00 0.00 176.86 177.85 2dj4 s THR 74 N -2.51 -0.84 -0.90 -3.48 2.01 -1.26 -0.74 115.64 107.92 2dj4 s THR 74 Ca 0.12 -0.01 -0.25 0.00 0.31 0.00 0.00 61.69 61.87 2dj4 s THR 74 Cb -0.02 -0.91 -0.05 0.00 0.01 0.00 0.00 72.50 71.53 2dj4 s THR 74 CO 0.09 -0.03 1.94 -2.16 -0.69 0.00 0.00 174.62 173.77 2dj4 s PRO 75 N 2.74 2.56 0.13 4.92 0.04 -1.26 -4.85 135.00 139.28 2dj4 s PRO 75 Ca 0.13 -0.28 -0.18 0.00 0.04 0.00 0.00 61.00 60.72 2dj4 s PRO 75 Cb -0.14 -5.05 0.04 0.00 0.04 0.00 0.00 34.50 29.38 2dj4 s PRO 75 CO -0.18 -3.36 1.07 0.43 0.04 0.00 0.00 177.00 175.00 2dj4 n SER 76 N 13.92 -0.62 -4.59 6.66 7.64 -1.26 -1.13 113.62 134.24 2dj4 n SER 76 Ca 0.40 1.22 -0.26 0.00 1.01 0.00 0.00 58.87 61.24 2dj4 n SER 76 Cb 0.47 -0.21 -0.10 0.00 -1.01 0.00 0.00 64.21 63.36 2dj4 n SER 76 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2dj4 s GLN 77 N -5.47 1.93 0.75 1.43 -2.07 -1.26 -3.62 119.66 111.35 2dj4 s GLN 77 Ca -0.09 -1.93 -0.07 0.00 -1.82 0.00 0.00 55.36 51.45 2dj4 s GLN 77 Cb 0.10 -1.76 0.09 0.00 -1.09 0.00 0.00 33.01 30.36 2dj4 s GLN 77 CO 0.46 0.08 1.06 -1.83 -1.32 0.00 0.00 175.29 173.74 2dj4 s GLU 78 N -3.67 1.88 0.00 9.60 -1.05 -1.26 -4.82 118.70 119.37 2dj4 s GLU 78 Ca 0.34 -0.39 0.00 0.00 -0.15 0.00 0.00 54.97 54.77 2dj4 s GLU 78 Cb 0.04 -2.14 0.00 0.00 -0.44 0.00 0.00 34.13 31.59 2dj4 s GLU 78 CO 0.18 -1.46 0.00 0.41 0.95 0.00 0.00 175.26 175.34 2dj4 n GLY 79 N -3.05 2.04 3.56 -3.83 0.00 -0.82 -4.93 105.19 98.17 2dj4 n GLY 79 Ca 0.10 -2.06 -0.27 0.00 0.00 0.00 0.00 46.02 43.79 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 -1.59 2.55 0.58 1.61 0.04 -1.26 -0.24 135.00 136.70 2dj4 s PRO 80 Ca 0.00 -0.30 -0.06 0.00 0.04 0.00 0.00 61.00 60.68 2dj4 s PRO 80 Cb 0.00 -5.06 0.00 0.00 0.04 0.00 0.00 34.50 29.48 2dj4 s PRO 80 CO 0.00 -3.39 0.89 0.71 0.04 0.00 0.00 177.00 175.25 2dj4 s TYR 81 N 10.11 3.28 -0.07 0.56 1.51 0.00 -4.08 117.35 128.67 2dj4 s TYR 81 Ca 0.70 0.67 -0.02 0.00 -1.01 0.00 0.00 57.07 57.41 2dj4 s TYR 81 Cb -0.07 -2.70 0.03 0.00 -0.11 0.00 0.00 41.96 39.11 2dj4 s TYR 81 CO -0.01 -0.78 0.03 1.41 -1.11 0.00 0.00 175.55 175.09 2dj4 s MET 82 N -4.97 0.33 -0.60 -0.62 1.75 -1.04 -1.56 119.30 112.59 2dj4 s MET 82 Ca 0.53 0.17 -0.10 0.00 -1.25 0.00 0.00 55.69 55.04 2dj4 s MET 82 Cb -0.11 -0.90 0.15 0.00 2.84 0.00 0.00 34.83 36.82 2dj4 s MET 82 CO 0.45 -0.35 0.49 0.08 -0.65 0.00 0.00 175.02 175.05 2dj4 s VAL 83 N 2.05 4.62 0.29 10.11 1.01 0.10 -0.93 120.40 137.66 2dj4 s VAL 83 Ca 0.05 -2.12 -0.26 0.00 0.00 0.00 0.00 61.98 59.64 2dj4 s VAL 83 Cb -0.13 -3.97 -0.10 0.00 0.00 0.00 0.00 36.38 32.19 2dj4 s VAL 83 CO -0.05 -0.87 0.92 -0.55 0.00 0.00 0.00 175.10 174.55 2dj4 s SER 84 N 2.35 7.39 0.01 3.32 0.15 0.24 -1.46 113.70 125.69 2dj4 s SER 84 Ca 0.10 1.83 0.00 0.00 0.70 0.00 0.00 55.95 58.58 2dj4 s SER 84 Cb -0.22 -2.57 -0.01 0.00 -1.71 0.00 0.00 66.02 61.51 2dj4 s SER 84 CO -0.03 -0.00 -0.02 -0.69 1.20 0.00 0.00 173.24 173.70 2dj4 s VAL 85 N -1.50 0.11 0.29 4.45 1.01 -1.26 0.57 120.40 124.07 2dj4 s VAL 85 Ca 0.47 -0.31 0.04 0.00 0.00 0.00 0.00 61.98 62.18 2dj4 s VAL 85 Cb -0.20 -0.15 -0.06 0.00 0.00 0.00 0.00 36.38 35.97 2dj4 s VAL 85 CO 0.25 -0.13 0.04 -0.75 0.00 0.00 0.00 175.10 174.51 2dj4 s LYS 86 N -0.46 1.52 -0.24 2.72 2.20 -0.07 -3.47 119.74 121.95 2dj4 s LYS 86 Ca -0.04 -1.82 -0.05 0.00 -0.36 0.00 0.00 55.97 53.70 2dj4 s LYS 86 Cb -0.03 -0.74 0.13 0.00 -1.51 0.00 0.00 37.83 35.68 2dj4 s LYS 86 CO -0.00 -0.16 0.46 -0.47 -0.36 0.00 0.00 175.35 174.82 2dj4 s TYR 87 N -3.37 -1.01 -1.53 4.03 5.04 -1.01 -1.70 117.35 117.81 2dj4 s TYR 87 Ca 0.34 1.40 -0.06 0.00 -2.44 0.00 0.00 57.07 56.31 2dj4 s TYR 87 Cb 0.07 0.30 0.01 0.00 0.35 0.00 0.00 41.96 42.69 2dj4 s TYR 87 CO 0.13 -0.66 0.72 0.00 -1.34 0.00 0.00 175.55 174.40 2dj4 n ALA 88 N 5.39 -1.04 -2.71 3.97 0.00 -1.17 -1.70 120.51 123.26 2dj4 n ALA 88 Ca -0.06 0.31 -0.13 0.00 0.00 0.00 0.00 53.44 53.56 2dj4 n ALA 88 Cb 0.50 -4.19 0.02 0.00 0.00 0.00 0.00 19.45 15.78 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 -2.62 -4.20 -3.41 0.00 9.92 -1.26 -5.01 116.55 109.97 2dj4 n ASP 89 Ca -0.09 -0.17 -0.16 0.00 -0.53 0.00 0.00 54.79 53.85 2dj4 n ASP 89 Cb 0.61 -3.07 -0.10 0.00 -0.64 0.00 0.00 41.12 37.91 2dj4 n ASP 89 CO 0.00 0.00 0.00 -1.61 0.13 0.00 0.00 177.20 175.72 2dj4 s GLU 90 N -5.21 0.29 -0.22 -1.24 2.02 -0.69 -5.11 118.70 108.54 2dj4 s GLU 90 Ca 0.18 0.11 -0.38 0.00 0.02 0.00 0.00 54.97 54.90 2dj4 s GLU 90 Cb -0.08 -0.78 -0.14 0.00 0.10 0.00 0.00 34.13 33.23 2dj4 s GLU 90 CO 0.22 -0.83 1.79 0.39 0.02 0.00 0.00 175.26 176.85 2dj4 n GLU 91 N 5.33 1.50 -1.30 1.61 1.02 -1.26 -2.40 120.64 125.13 2dj4 n GLU 91 Ca -0.03 0.55 -0.35 0.00 -0.02 0.00 0.00 57.16 57.31 2dj4 n GLU 91 Cb 0.48 -2.29 0.10 0.00 -0.02 0.00 0.00 31.44 29.72 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 4.78 2.82 0.98 -3.67 -5.35 -1.23 -4.84 119.36 112.86 2dj4 n ILE 92 Ca 0.25 -0.32 0.03 0.00 -0.27 0.00 0.00 62.75 62.45 2dj4 n ILE 92 Cb 0.18 -1.21 0.20 0.00 -1.74 0.00 0.00 39.64 37.07 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 -2.52 0.49 -0.00 6.28 -0.04 -1.26 -1.74 135.00 136.21 2dj4 n PRO 93 Ca 0.14 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.60 2dj4 n PRO 93 Cb 0.50 -1.21 0.00 0.00 -0.04 0.00 0.00 33.50 32.75 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 -0.71 2.27 -4.38 0.54 5.12 -1.26 -5.03 116.66 113.20 2dj4 n ARG 94 Ca 0.05 -1.33 -0.25 0.00 -1.93 0.00 0.00 57.85 54.39 2dj4 n ARG 94 Cb 0.02 -1.01 -0.12 0.00 -1.16 0.00 0.00 32.46 30.20 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 -0.82 3.14 1.21 0.55 0.15 -0.71 -4.24 113.70 112.97 2dj4 s SER 95 Ca 0.00 -0.84 -0.19 0.00 0.70 0.00 0.00 55.95 55.62 2dj4 s SER 95 Cb 0.00 -0.21 0.29 0.00 -1.71 0.00 0.00 66.02 64.39 2dj4 s SER 95 CO 0.00 0.08 1.11 -2.16 1.20 0.00 0.00 173.24 173.47 2dj4 s PRO 96 N -2.58 -1.26 -0.14 5.44 0.04 -1.26 -4.80 135.00 130.44 2dj4 s PRO 96 Ca 0.17 -0.08 0.00 0.00 0.04 0.00 0.00 61.00 61.14 2dj4 s PRO 96 Cb -0.08 -1.59 -0.01 0.00 0.04 0.00 0.00 34.50 32.86 2dj4 s PRO 96 CO 0.08 -3.74 -0.14 -0.06 0.04 0.00 0.00 177.00 173.18 2dj4 s PHE 97 N -3.00 2.79 -0.45 0.56 0.40 -0.54 -4.95 117.98 112.78 2dj4 s PHE 97 Ca 0.71 -0.82 -0.24 0.00 -0.60 0.00 0.00 56.93 55.98 2dj4 s PHE 97 Cb -0.10 -1.86 0.03 0.00 0.51 0.00 0.00 43.02 41.60 2dj4 s PHE 97 CO 0.56 -0.33 0.81 -1.59 0.70 0.00 0.00 175.22 175.37 2dj4 s LYS 98 N 0.56 3.44 -0.31 0.44 -2.85 -1.26 -0.72 119.74 119.03 2dj4 s LYS 98 Ca -0.09 -0.04 0.02 0.00 -1.00 0.00 0.00 55.97 54.85 2dj4 s LYS 98 Cb -0.16 -3.94 0.09 0.00 -2.06 0.00 0.00 37.83 31.77 2dj4 s LYS 98 CO 0.04 -1.14 0.05 0.08 0.10 0.00 0.00 175.35 174.48 2dj4 s VAL 99 N 3.39 1.68 -0.62 1.79 1.01 -0.60 -5.01 120.40 122.03 2dj4 s VAL 99 Ca 0.31 -1.84 -0.26 0.00 0.00 0.00 0.00 61.98 60.19 2dj4 s VAL 99 Cb -0.12 -2.20 0.04 0.00 0.00 0.00 0.00 36.38 34.11 2dj4 s VAL 99 CO 0.23 -0.54 1.10 -0.75 0.00 0.00 0.00 175.10 175.14 2dj4 s LYS 100 N 1.23 3.32 0.39 2.72 2.20 -1.26 -0.82 119.74 127.52 2dj4 s LYS 100 Ca 0.08 -0.18 -0.25 0.00 -0.36 0.00 0.00 55.97 55.25 2dj4 s LYS 100 Cb -0.18 -4.10 -0.09 0.00 -1.51 0.00 0.00 37.83 31.95 2dj4 s LYS 100 CO -0.14 -1.76 1.18 0.08 -0.36 0.00 0.00 175.35 174.36 2dj4 s VAL 101 N 4.71 3.12 0.20 4.02 1.01 0.67 -4.60 120.40 129.53 2dj4 s VAL 101 Ca 0.34 0.95 0.08 0.00 0.00 0.00 0.00 61.98 63.36 2dj4 s VAL 101 Cb -0.10 -3.54 -0.04 0.00 0.00 0.00 0.00 36.38 32.69 2dj4 s VAL 101 CO 0.19 0.10 -0.02 -0.76 0.00 0.00 0.00 175.10 174.60 2dj4 s LEU 102 N -2.43 3.20 -0.07 3.92 1.43 0.13 -1.94 118.68 122.93 2dj4 s LEU 102 Ca 0.56 -0.50 -0.30 0.00 -1.03 0.00 0.00 54.13 52.86 2dj4 s LEU 102 Cb -0.31 -1.83 -0.05 0.00 0.03 0.00 0.00 46.19 44.03 2dj4 s LEU 102 CO 0.40 0.07 1.50 -2.16 0.23 0.00 0.00 176.35 176.39 2dj4 s PRO 103 N -3.10 4.22 0.40 1.29 0.04 -1.26 0.60 135.00 137.19 2dj4 s PRO 103 Ca 0.28 2.01 0.35 0.00 0.04 0.00 0.00 61.00 63.67 2dj4 s PRO 103 Cb -0.08 -3.83 1.28 0.00 0.04 0.00 0.00 34.50 31.90 2dj4 s PRO 103 CO 0.18 -0.75 1.20 2.41 0.04 0.00 0.00 177.00 180.08 2dj4 n THR 104 N 5.25 -0.06 -4.17 1.26 -1.04 -1.26 -4.23 114.28 110.02 2dj4 n THR 104 Ca 0.15 1.22 -0.23 0.00 -2.04 0.00 0.00 64.05 63.16 2dj4 n THR 104 Cb 0.43 -2.02 -0.06 0.00 -1.82 0.00 0.00 70.33 66.86 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 -4.56 2.84 -0.43 -1.42 1.51 -1.26 -5.01 117.35 109.02 2dj4 s TYR 105 Ca -0.04 -0.22 -0.18 0.00 -1.01 0.00 0.00 57.07 55.62 2dj4 s TYR 105 Cb 0.22 -1.38 0.02 0.00 -0.11 0.00 0.00 41.96 40.71 2dj4 s TYR 105 CO 0.67 0.51 0.46 0.16 -1.11 0.00 0.00 175.55 176.24 2dj4 s ASP 106 N -3.78 6.21 -0.17 2.29 1.47 -1.26 -4.94 116.67 116.49 2dj4 s ASP 106 Ca 0.34 -0.66 -0.01 0.00 1.18 0.00 0.00 52.55 53.39 2dj4 s ASP 106 Cb -0.06 -2.24 0.08 0.00 -0.34 0.00 0.00 42.92 40.36 2dj4 s ASP 106 CO 0.22 -0.62 2.17 0.00 0.68 0.00 0.00 175.17 177.62 2dj4 n ALA 107 N 5.68 4.80 -0.64 2.11 0.00 -1.26 -5.20 120.51 126.01 2dj4 n ALA 107 Ca -0.07 -1.03 0.00 0.00 0.00 0.00 0.00 53.44 52.34 2dj4 n ALA 107 Cb 0.47 -1.32 0.00 0.00 0.00 0.00 0.00 19.45 18.60 2dj4 n ALA 107 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93