#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 5.52 -0.08 1.61 0.01 -1.26 -5.02 113.70 114.48 2dj4 s SER 2 Ca 0.00 1.01 -0.22 0.00 1.31 0.00 0.00 55.95 58.05 2dj4 s SER 2 Cb 0.00 -1.88 -0.18 0.00 0.21 0.00 0.00 66.02 64.17 2dj4 s SER 2 CO 0.00 -1.24 0.82 0.77 0.41 0.00 0.00 173.24 174.00 2dj4 h SER 3 N -0.49 -0.08 0.00 2.44 4.64 -2.10 -3.50 113.55 114.45 2dj4 h SER 3 Ca -0.45 -0.53 0.00 0.00 -0.47 0.00 0.00 61.79 60.34 2dj4 h SER 3 Cb 1.25 0.02 0.00 0.00 -0.31 0.00 0.00 62.40 63.36 2dj4 h SER 3 CO 0.63 0.59 0.00 0.61 -0.87 0.00 0.00 176.83 177.79 2dj4 n GLY 4 N 0.96 0.28 3.64 -0.77 0.00 -1.26 -5.12 105.19 102.91 2dj4 n GLY 4 Ca -0.08 -1.00 -0.27 0.00 0.00 0.00 0.00 46.02 44.67 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 -4.00 4.02 0.40 1.61 0.01 -1.26 -5.16 113.70 109.32 2dj4 s SER 5 Ca 0.00 -1.24 0.05 0.00 1.31 0.00 0.00 55.95 56.07 2dj4 s SER 5 Cb 0.00 -0.43 -0.06 0.00 0.21 0.00 0.00 66.02 65.74 2dj4 s SER 5 CO 0.00 -0.42 0.03 -0.55 0.41 0.00 0.00 173.24 172.71 2dj4 s SER 6 N -3.74 3.42 0.00 2.44 0.15 -1.26 -4.98 113.70 109.73 2dj4 s SER 6 Ca 0.36 -1.43 0.00 0.00 0.70 0.00 0.00 55.95 55.58 2dj4 s SER 6 Cb 0.07 -0.12 0.00 0.00 -1.71 0.00 0.00 66.02 64.26 2dj4 s SER 6 CO 0.19 -0.58 0.00 0.61 1.20 0.00 0.00 173.24 174.66 2dj4 n GLY 7 N -0.93 0.94 3.64 9.45 0.00 -1.26 -5.14 105.19 111.90 2dj4 n GLY 7 Ca -0.06 -0.03 -0.30 0.00 0.00 0.00 0.00 46.02 45.63 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 0.00 2.27 -0.05 1.61 -7.23 -1.26 -4.94 120.40 110.80 2dj4 s VAL 8 Ca 0.00 0.09 0.06 0.00 -1.81 0.00 0.00 61.98 60.32 2dj4 s VAL 8 Cb 0.00 -2.23 -0.01 0.00 0.56 0.00 0.00 36.38 34.69 2dj4 s VAL 8 CO 0.00 -0.12 -0.24 -0.69 -0.31 0.00 0.00 175.10 173.74 2dj4 s VAL 9 N -2.67 1.99 -0.35 1.32 1.01 -1.26 -4.71 120.40 115.73 2dj4 s VAL 9 Ca 0.66 -1.03 -0.00 0.00 0.00 0.00 0.00 61.98 61.60 2dj4 s VAL 9 Cb -0.22 -1.68 0.11 0.00 0.00 0.00 0.00 36.38 34.59 2dj4 s VAL 9 CO 0.59 0.55 0.15 -0.62 0.00 0.00 0.00 175.10 175.78 2dj4 s ASP 10 N -0.18 3.75 0.00 3.32 2.15 0.72 -4.97 116.67 121.46 2dj4 s ASP 10 Ca -0.03 -1.92 0.15 0.00 0.43 0.00 0.00 52.55 51.19 2dj4 s ASP 10 Cb -0.13 -0.79 0.88 0.00 -0.30 0.00 0.00 42.92 42.57 2dj4 s ASP 10 CO 0.03 -0.37 1.36 -0.81 -0.17 0.00 0.00 175.17 175.21 2dj4 n PRO 11 N 4.46 0.41 -0.20 4.34 -0.04 -1.26 -2.02 135.00 140.68 2dj4 n PRO 11 Ca 0.02 0.04 0.11 0.00 -0.04 0.00 0.00 63.50 63.64 2dj4 n PRO 11 Cb 0.39 -1.50 0.25 0.00 -0.04 0.00 0.00 33.50 32.60 2dj4 n PRO 11 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 2dj4 n SER 12 N -1.08 3.25 -0.10 3.54 3.41 -1.26 -3.98 113.62 117.40 2dj4 n SER 12 Ca 0.10 -1.96 0.05 0.00 -0.26 0.00 0.00 58.87 56.80 2dj4 n SER 12 Cb 0.07 -0.27 -0.03 0.00 -0.26 0.00 0.00 64.21 63.72 2dj4 n SER 12 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 2dj4 n LYS 13 N 1.34 2.98 -3.04 4.33 4.76 -0.86 -4.94 118.16 122.74 2dj4 n LYS 13 Ca 0.20 -0.27 -0.40 0.00 -2.87 0.00 0.00 58.31 54.97 2dj4 n LYS 13 Cb 0.56 -1.03 -0.05 0.00 -1.84 0.00 0.00 35.03 32.68 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 -1.72 4.99 0.38 -0.18 0.11 -1.26 -4.39 120.40 118.33 2dj4 s VAL 14 Ca 0.06 1.47 0.04 0.00 -2.93 0.00 0.00 61.98 60.62 2dj4 s VAL 14 Cb 0.08 -4.05 -0.05 0.00 -1.53 0.00 0.00 36.38 30.83 2dj4 s VAL 14 CO 0.35 0.28 0.07 -0.54 -3.33 0.00 0.00 175.10 171.93 2dj4 s LYS 15 N 0.61 1.83 -0.11 1.54 1.02 -0.15 -4.90 119.74 119.59 2dj4 s LYS 15 Ca 0.38 -2.08 -0.08 0.00 0.02 0.00 0.00 55.97 54.21 2dj4 s LYS 15 Cb -0.18 -0.91 0.04 0.00 -0.52 0.00 0.00 37.83 36.25 2dj4 s LYS 15 CO 0.19 -0.30 0.27 0.96 -0.92 0.00 0.00 175.35 175.55 2dj4 s ILE 16 N -3.18 -0.02 0.03 2.17 -4.36 -1.26 -0.41 121.20 114.18 2dj4 s ILE 16 Ca 0.28 0.06 -0.01 0.00 -0.26 0.00 0.00 60.65 60.72 2dj4 s ILE 16 Cb 0.06 -0.39 -0.02 0.00 1.25 0.00 0.00 42.46 43.35 2dj4 s ILE 16 CO 0.14 0.02 -0.02 0.00 0.24 0.00 0.00 174.94 175.33 2dj4 s ALA 17 N 0.62 0.21 0.00 2.27 0.00 -0.12 -4.98 121.76 119.75 2dj4 s ALA 17 Ca -0.04 -0.75 0.00 0.00 0.00 0.00 0.00 51.96 51.17 2dj4 s ALA 17 Cb -0.05 0.19 0.00 0.00 0.00 0.00 0.00 23.12 23.26 2dj4 s ALA 17 CO -0.04 -0.23 0.00 0.41 0.00 0.00 0.00 175.76 175.90 2dj4 n GLY 18 N 1.11 1.56 0.23 0.00 0.00 -1.26 -0.24 105.19 106.59 2dj4 n GLY 18 Ca -0.21 -1.56 -0.08 0.00 0.00 0.00 0.00 46.02 44.17 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 0.57 -0.91 1.61 0.13 -1.96 -2.76 132.00 128.68 2dj4 h PRO 19 Ca 0.00 -0.30 0.24 0.00 -0.87 0.00 0.00 66.00 65.06 2dj4 h PRO 19 Cb 0.00 0.01 -0.05 0.00 0.13 0.00 0.00 31.00 31.09 2dj4 h PRO 19 CO 0.00 0.89 0.62 0.78 -0.23 0.00 0.00 178.00 180.07 2dj4 h GLY 20 N 1.05 0.48 0.56 1.56 0.00 -1.89 0.12 103.07 104.95 2dj4 h GLY 20 Ca 0.04 -0.10 -0.04 0.00 0.00 0.00 0.00 47.33 47.22 2dj4 h GLY 20 CO 0.08 -0.02 -1.52 1.04 0.00 0.00 0.00 176.54 176.13 2dj4 n LEU 21 N -4.41 0.48 -4.38 3.11 4.77 -1.17 -4.92 117.00 110.48 2dj4 n LEU 21 Ca 0.19 0.19 -0.31 0.00 -0.03 0.00 0.00 56.01 56.06 2dj4 n LEU 21 Cb 0.84 0.01 0.20 0.00 -2.33 0.00 0.00 43.42 42.14 2dj4 n LEU 21 CO 0.34 -0.03 -0.05 0.61 -1.33 0.00 0.00 177.39 176.93 2dj4 n GLY 22 N 1.27 -2.17 0.71 -0.72 0.00 0.43 -4.82 105.19 99.89 2dj4 n GLY 22 Ca -0.05 -0.93 0.04 0.00 0.00 0.00 0.00 46.02 45.08 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 -3.00 1.98 -2.32 1.61 2.88 -1.26 -4.07 113.62 109.45 2dj4 n SER 23 Ca 0.03 -2.13 -0.28 0.00 -1.33 0.00 0.00 58.87 55.16 2dj4 n SER 23 Cb 0.58 -0.33 0.02 0.00 -0.75 0.00 0.00 64.21 63.73 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 0.68 6.11 3.89 0.46 0.00 -1.26 -4.95 105.19 110.11 2dj4 n GLY 24 Ca 0.10 -2.65 -0.34 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 -5.04 5.27 0.15 1.61 1.01 -1.26 -5.02 120.40 117.13 2dj4 s VAL 25 Ca 0.51 0.12 0.11 0.00 0.00 0.00 0.00 61.98 62.72 2dj4 s VAL 25 Cb 0.42 -3.59 -0.04 0.00 0.00 0.00 0.00 36.38 33.17 2dj4 s VAL 25 CO -0.10 0.29 -0.25 -0.13 0.00 0.00 0.00 175.10 174.91 2dj4 s ARG 26 N -1.98 1.40 0.56 2.72 0.52 -1.26 0.11 118.95 121.03 2dj4 s ARG 26 Ca 0.31 -1.39 -0.19 0.00 -0.52 0.00 0.00 55.73 53.94 2dj4 s ARG 26 Cb -0.13 -1.79 -0.05 0.00 0.52 0.00 0.00 34.95 33.50 2dj4 s ARG 26 CO 0.19 0.41 1.13 0.00 0.02 0.00 0.00 175.30 177.04 2dj4 s ALA 27 N -1.33 2.66 -1.46 2.13 0.00 0.15 -3.36 121.76 120.55 2dj4 s ALA 27 Ca 0.15 0.79 -0.11 0.00 0.00 0.00 0.00 51.96 52.80 2dj4 s ALA 27 Cb -0.09 -3.36 0.06 0.00 0.00 0.00 0.00 23.12 19.73 2dj4 s ALA 27 CO 0.07 -0.86 1.00 0.54 0.00 0.00 0.00 175.76 176.51 2dj4 n ARG 28 N -1.47 -6.07 -4.22 0.00 1.74 0.55 -4.37 116.66 102.82 2dj4 n ARG 28 Ca 0.12 0.66 -0.17 0.00 -0.77 0.00 0.00 57.85 57.69 2dj4 n ARG 28 Cb 0.51 -5.56 -0.13 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 -3.35 0.69 -0.25 1.55 1.01 -1.21 -5.01 120.40 113.82 2dj4 s VAL 29 Ca 0.55 -0.70 -0.29 0.00 0.00 0.00 0.00 61.98 61.54 2dj4 s VAL 29 Cb -0.27 -0.64 -0.03 0.00 0.00 0.00 0.00 36.38 35.45 2dj4 s VAL 29 CO 0.80 -0.04 1.71 -0.22 0.00 0.00 0.00 175.10 177.36 2dj4 s LEU 30 N -0.82 3.75 -0.11 3.92 2.96 -1.26 -4.17 118.68 122.96 2dj4 s LEU 30 Ca -0.01 1.54 0.02 0.00 -0.22 0.00 0.00 54.13 55.46 2dj4 s LEU 30 Cb -0.06 -3.53 -0.01 0.00 0.50 0.00 0.00 46.19 43.09 2dj4 s LEU 30 CO 0.00 -1.44 -0.19 -1.10 -1.32 0.00 0.00 176.35 172.30 2dj4 s GLN 31 N 5.09 3.13 -0.00 1.98 -1.52 0.67 -4.98 119.66 124.03 2dj4 s GLN 31 Ca 0.76 -0.80 -0.07 0.00 -1.95 0.00 0.00 55.36 53.30 2dj4 s GLN 31 Cb -0.25 -2.42 0.00 0.00 -0.22 0.00 0.00 33.01 30.12 2dj4 s GLN 31 CO 0.32 0.22 0.15 0.45 -0.25 0.00 0.00 175.29 176.17 2dj4 s SER 32 N 0.28 0.00 0.34 5.90 0.15 -1.26 -0.14 113.70 118.96 2dj4 s SER 32 Ca -0.14 -0.15 0.08 0.00 0.70 0.00 0.00 55.95 56.44 2dj4 s SER 32 Cb -0.17 0.22 -0.03 0.00 -1.71 0.00 0.00 66.02 64.33 2dj4 s SER 32 CO 0.07 -0.35 0.29 0.72 1.20 0.00 0.00 173.24 175.17 2dj4 s PHE 33 N -1.26 1.79 -0.10 3.44 -0.71 -1.17 -3.19 117.98 116.78 2dj4 s PHE 33 Ca -0.13 -1.68 0.03 0.00 -1.04 0.00 0.00 56.93 54.11 2dj4 s PHE 33 Cb -0.07 -0.72 -0.01 0.00 -1.21 0.00 0.00 43.02 41.01 2dj4 s PHE 33 CO 0.02 -0.89 -0.20 0.99 -1.34 0.00 0.00 175.22 173.80 2dj4 s THR 34 N -3.40 2.43 -0.38 -4.49 2.01 0.67 -2.87 115.64 109.61 2dj4 s THR 34 Ca 0.41 -0.90 -0.06 0.00 0.31 0.00 0.00 61.69 61.45 2dj4 s THR 34 Cb 0.02 -1.95 0.07 0.00 0.01 0.00 0.00 72.50 70.65 2dj4 s THR 34 CO 0.29 0.55 0.17 -0.69 -0.69 0.00 0.00 174.62 174.25 2dj4 s VAL 35 N 0.19 3.67 -0.61 3.82 1.01 0.44 -0.95 120.40 127.97 2dj4 s VAL 35 Ca -0.12 -1.52 -0.22 0.00 0.00 0.00 0.00 61.98 60.12 2dj4 s VAL 35 Cb -0.16 -3.26 0.07 0.00 0.00 0.00 0.00 36.38 33.03 2dj4 s VAL 35 CO 0.07 -0.42 0.87 -0.62 0.00 0.00 0.00 175.10 175.00 2dj4 s ASP 36 N 1.75 6.21 -0.22 3.32 2.15 0.45 -0.78 116.67 129.56 2dj4 s ASP 36 Ca 0.02 -0.94 0.12 0.00 0.43 0.00 0.00 52.55 52.18 2dj4 s ASP 36 Cb -0.22 -2.39 0.43 0.00 -0.30 0.00 0.00 42.92 40.45 2dj4 s ASP 36 CO -0.00 -1.28 1.30 -1.54 -0.17 0.00 0.00 175.17 173.48 2dj4 n SER 37 N 7.24 2.15 -0.06 -0.34 3.41 -1.22 -0.98 113.62 123.82 2dj4 n SER 37 Ca -0.04 -3.70 -0.11 0.00 -0.26 0.00 0.00 58.87 54.75 2dj4 n SER 37 Cb 0.45 -0.55 0.03 0.00 -0.26 0.00 0.00 64.21 63.88 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 0.90 0.82 1.19 4.04 0.87 -1.82 -2.72 113.55 116.85 2dj4 h SER 38 Ca 0.07 -0.39 0.00 0.00 -1.23 0.00 0.00 61.79 60.24 2dj4 h SER 38 Cb 1.23 -0.23 0.00 0.00 -0.44 0.00 0.00 62.40 62.96 2dj4 h SER 38 CO 0.13 1.14 0.00 0.29 -0.53 0.00 0.00 176.83 177.86 2dj4 n LYS 39 N -4.03 0.24 0.12 2.24 5.02 -1.26 -3.21 118.16 117.29 2dj4 n LYS 39 Ca -0.02 0.30 -0.22 0.00 -2.02 0.00 0.00 58.31 56.35 2dj4 n LYS 39 Cb 0.55 -1.84 -0.15 0.00 -0.02 0.00 0.00 35.03 33.57 2dj4 n LYS 39 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2dj4 h ALA 40 N 2.41 -0.03 0.00 7.82 0.00 -1.63 -3.43 119.26 124.40 2dj4 h ALA 40 Ca 0.00 -0.93 0.00 0.00 0.00 0.00 0.00 54.91 53.98 2dj4 h ALA 40 Cb 0.60 0.20 0.00 0.00 0.00 0.00 0.00 17.79 18.58 2dj4 h ALA 40 CO 0.00 0.84 0.00 0.41 0.00 0.00 0.00 179.25 180.50 2dj4 n GLY 41 N 1.70 0.44 0.08 0.00 0.00 -1.07 -0.20 105.19 106.13 2dj4 n GLY 41 Ca -0.16 -1.30 0.10 0.00 0.00 0.00 0.00 46.02 44.66 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 2.37 -4.81 0.99 -0.00 -1.26 -4.64 117.00 109.65 2dj4 n LEU 42 Ca 0.00 -3.08 -0.33 0.00 -0.00 0.00 0.00 56.01 52.60 2dj4 n LEU 42 Cb 0.00 -0.43 -0.04 0.00 -0.00 0.00 0.00 43.42 42.96 2dj4 n LEU 42 CO 0.00 0.71 0.69 0.00 -0.00 0.00 0.00 177.39 178.79 2dj4 s ALA 43 N -2.86 2.93 0.94 1.47 0.00 -1.26 -5.05 121.76 117.93 2dj4 s ALA 43 Ca 0.32 0.44 -0.12 0.00 0.00 0.00 0.00 51.96 52.59 2dj4 s ALA 43 Cb 0.28 -3.20 0.15 0.00 0.00 0.00 0.00 23.12 20.36 2dj4 s ALA 43 CO 0.03 -0.26 1.09 -1.25 0.00 0.00 0.00 175.76 175.38 2dj4 s PRO 44 N -3.51 0.91 -0.06 0.00 0.04 -1.26 -4.83 135.00 126.29 2dj4 s PRO 44 Ca 0.64 0.70 0.02 0.00 0.04 0.00 0.00 61.00 62.39 2dj4 s PRO 44 Cb -0.13 -1.78 0.02 0.00 0.04 0.00 0.00 34.50 32.65 2dj4 s PRO 44 CO 0.23 -2.45 -0.11 -1.17 0.04 0.00 0.00 177.00 173.54 2dj4 s LEU 45 N -6.32 1.57 0.12 -3.56 2.96 -1.26 -3.09 118.68 109.10 2dj4 s LEU 45 Ca 0.64 -0.27 0.05 0.00 -0.22 0.00 0.00 54.13 54.33 2dj4 s LEU 45 Cb -0.18 -0.77 -0.04 0.00 0.50 0.00 0.00 46.19 45.70 2dj4 s LEU 45 CO 0.57 0.01 0.02 -0.70 -1.32 0.00 0.00 176.35 174.93 2dj4 s GLU 46 N 0.76 2.57 0.01 1.98 2.12 -0.80 -4.95 118.70 120.39 2dj4 s GLU 46 Ca -0.13 -0.90 0.00 0.00 0.36 0.00 0.00 54.97 54.30 2dj4 s GLU 46 Cb -0.15 -2.52 -0.01 0.00 0.26 0.00 0.00 34.13 31.71 2dj4 s GLU 46 CO 0.03 0.51 -0.02 0.08 -0.54 0.00 0.00 175.26 175.32 2dj4 s VAL 47 N -1.47 0.10 -0.14 3.70 1.01 -1.26 -1.65 120.40 120.70 2dj4 s VAL 47 Ca 0.27 -0.44 -0.10 0.00 0.00 0.00 0.00 61.98 61.71 2dj4 s VAL 47 Cb -0.11 -0.16 0.04 0.00 0.00 0.00 0.00 36.38 36.15 2dj4 s VAL 47 CO 0.19 -0.21 0.35 -0.13 0.00 0.00 0.00 175.10 175.30 2dj4 s ARG 48 N -0.68 0.36 -0.13 2.72 1.81 0.92 -4.87 118.95 119.09 2dj4 s ARG 48 Ca -0.07 0.59 0.01 0.00 -1.72 0.00 0.00 55.73 54.54 2dj4 s ARG 48 Cb -0.05 0.07 -0.01 0.00 -0.45 0.00 0.00 34.95 34.52 2dj4 s ARG 48 CO -0.00 -0.10 -0.17 0.08 -0.68 0.00 0.00 175.30 174.42 2dj4 s VAL 49 N 0.76 2.61 -0.14 3.52 1.01 -1.26 0.87 120.40 127.77 2dj4 s VAL 49 Ca -0.05 -0.81 0.01 0.00 0.00 0.00 0.00 61.98 61.13 2dj4 s VAL 49 Cb -0.06 -2.07 0.02 0.00 0.00 0.00 0.00 36.38 34.27 2dj4 s VAL 49 CO -0.05 0.53 -0.14 -0.76 0.00 0.00 0.00 175.10 174.68 2dj4 s LEU 50 N 0.51 1.64 1.29 3.92 1.43 0.33 -3.18 118.68 124.62 2dj4 s LEU 50 Ca -0.11 -0.46 -0.18 0.00 -1.03 0.00 0.00 54.13 52.35 2dj4 s LEU 50 Cb -0.16 -1.13 0.32 0.00 0.03 0.00 0.00 46.19 45.25 2dj4 s LEU 50 CO 0.05 -0.05 0.99 -0.83 0.23 0.00 0.00 176.35 176.74 2dj4 s GLY 51 N 1.40 1.48 0.08 -3.19 0.00 0.33 -1.62 107.32 105.80 2dj4 s GLY 51 Ca 0.03 -0.53 -0.16 0.00 0.00 0.00 0.00 44.72 44.05 2dj4 s GLY 51 CO -0.09 0.34 1.40 -0.56 0.00 0.00 0.00 173.10 174.19 2dj4 h PRO 52 N -2.99 0.60 0.04 2.90 0.13 -1.89 -3.24 132.00 127.55 2dj4 h PRO 52 Ca -0.52 -0.32 -0.22 0.00 -0.87 0.00 0.00 66.00 64.06 2dj4 h PRO 52 Cb 1.34 0.01 -0.01 0.00 0.13 0.00 0.00 31.00 32.46 2dj4 h PRO 52 CO 0.40 0.92 -1.02 0.00 -0.23 0.00 0.00 178.00 178.06 2dj4 h ARG 53 N 0.32 0.13 0.00 0.86 -0.00 -1.92 -3.47 114.38 110.29 2dj4 h ARG 53 Ca 0.04 -0.19 0.00 0.00 -0.50 0.00 0.00 59.98 59.33 2dj4 h ARG 53 Cb 0.81 0.07 0.00 0.00 0.00 0.00 0.00 29.97 30.84 2dj4 h ARG 53 CO 0.06 1.04 0.00 0.41 0.00 0.00 0.00 179.97 181.48 2dj4 n GLY 54 N 1.23 0.43 3.85 0.04 0.00 -1.22 -5.15 105.19 104.36 2dj4 n GLY 54 Ca -0.03 0.00 -0.33 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 4.08 -0.25 0.99 2.96 -1.26 -4.81 118.68 120.38 2dj4 s LEU 55 Ca 0.00 1.28 -0.02 0.00 -0.22 0.00 0.00 54.13 55.17 2dj4 s LEU 55 Cb 0.00 -4.05 0.02 0.00 0.50 0.00 0.00 46.19 42.66 2dj4 s LEU 55 CO 0.00 -0.19 -0.04 -0.69 -1.32 0.00 0.00 176.35 174.10 2dj4 s VAL 56 N -1.96 3.00 -0.01 1.68 1.01 -1.26 -0.52 120.40 122.35 2dj4 s VAL 56 Ca 0.53 -0.98 0.05 0.00 0.00 0.00 0.00 61.98 61.58 2dj4 s VAL 56 Cb -0.11 -2.53 -0.03 0.00 0.00 0.00 0.00 36.38 33.72 2dj4 s VAL 56 CO 0.18 0.19 -0.13 -1.61 0.00 0.00 0.00 175.10 173.72 2dj4 s GLU 57 N 1.35 2.38 1.00 2.72 0.41 -1.19 -5.05 118.70 120.33 2dj4 s GLU 57 Ca 0.00 -0.79 -0.12 0.00 -0.41 0.00 0.00 54.97 53.65 2dj4 s GLU 57 Cb -0.17 -2.36 0.19 0.00 -1.78 0.00 0.00 34.13 30.02 2dj4 s GLU 57 CO -0.04 0.59 1.09 -1.25 -0.49 0.00 0.00 175.26 175.17 2dj4 s PRO 58 N -1.16 0.38 0.18 0.39 0.04 -1.26 -4.13 135.00 129.44 2dj4 s PRO 58 Ca 0.14 0.51 -0.01 0.00 0.04 0.00 0.00 61.00 61.68 2dj4 s PRO 58 Cb -0.11 -1.73 -0.04 0.00 0.04 0.00 0.00 34.50 32.66 2dj4 s PRO 58 CO 0.04 -2.76 0.09 0.14 0.04 0.00 0.00 177.00 174.55 2dj4 s VAL 59 N -2.96 0.12 -0.01 -0.36 -7.23 -1.26 -4.79 120.40 103.91 2dj4 s VAL 59 Ca 0.65 -1.97 0.07 0.00 -1.81 0.00 0.00 61.98 58.93 2dj4 s VAL 59 Cb -0.19 -2.32 -0.02 0.00 0.56 0.00 0.00 36.38 34.42 2dj4 s VAL 59 CO 0.58 -0.20 -0.22 0.21 -0.31 0.00 0.00 175.10 175.16 2dj4 s ASN 60 N -3.13 2.58 -0.16 4.85 2.47 -1.07 -4.99 114.94 115.48 2dj4 s ASN 60 Ca 0.32 -0.41 -0.02 0.00 0.42 0.00 0.00 52.86 53.17 2dj4 s ASN 60 Cb 0.07 -0.28 0.05 0.00 -1.45 0.00 0.00 41.25 39.64 2dj4 s ASN 60 CO 0.08 0.26 0.00 -0.69 -3.72 0.00 0.00 177.10 173.03 2dj4 s VAL 61 N -0.55 0.66 -0.05 -5.21 1.01 -1.26 -3.76 120.40 111.24 2dj4 s VAL 61 Ca 0.08 -0.42 -0.02 0.00 0.00 0.00 0.00 61.98 61.63 2dj4 s VAL 61 Cb -0.08 -0.99 0.03 0.00 0.00 0.00 0.00 36.38 35.34 2dj4 s VAL 61 CO -0.00 -0.00 0.04 -0.69 0.00 0.00 0.00 175.10 174.44 2dj4 s VAL 62 N 1.82 0.07 0.20 2.92 1.01 -0.85 -5.00 120.40 120.56 2dj4 s VAL 62 Ca 0.01 0.31 -0.30 0.00 0.00 0.00 0.00 61.98 62.00 2dj4 s VAL 62 Cb -0.15 -0.30 -0.08 0.00 0.00 0.00 0.00 36.38 35.85 2dj4 s VAL 62 CO -0.07 0.20 1.11 -0.62 0.00 0.00 0.00 175.10 175.72 2dj4 s ASP 63 N 2.10 7.26 0.02 3.32 2.15 -1.26 -0.44 116.67 129.81 2dj4 s ASP 63 Ca 0.05 2.13 -0.19 0.00 0.43 0.00 0.00 52.55 54.98 2dj4 s ASP 63 Cb -0.12 -2.61 -0.23 0.00 -0.30 0.00 0.00 42.92 39.66 2dj4 s ASP 63 CO -0.04 -0.21 1.12 0.78 -0.17 0.00 0.00 175.17 176.65 2dj4 h ASN 64 N 4.87 0.61 0.00 -0.34 2.35 -1.70 -3.47 115.58 117.89 2dj4 h ASN 64 Ca -0.45 -0.75 0.00 0.00 -0.55 0.00 0.00 56.30 54.55 2dj4 h ASN 64 Cb 1.21 -0.19 0.00 0.00 0.05 0.00 0.00 38.32 39.40 2dj4 h ASN 64 CO 0.72 1.27 0.00 0.61 -1.65 0.00 0.00 177.43 178.38 2dj4 n GLY 65 N 1.04 1.73 0.12 2.83 0.00 -1.26 -4.93 105.19 104.72 2dj4 n GLY 65 Ca -0.10 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.71 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 0.78 0.35 0.00 1.61 3.58 -2.03 -3.47 116.42 117.23 2dj4 h ASP 66 Ca 0.00 -0.84 0.00 0.00 0.42 0.00 0.00 57.03 56.61 2dj4 h ASP 66 Cb 0.00 -0.11 0.00 0.00 1.72 0.00 0.00 39.33 40.94 2dj4 h ASP 66 CO 0.00 1.59 0.00 0.61 -2.88 0.00 0.00 179.24 178.56 2dj4 n GLY 67 N 1.72 0.00 3.54 -0.78 0.00 -1.26 -5.05 105.19 103.36 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 -0.08 2.61 -4.23 -1.26 -3.41 115.64 109.27 2dj4 s THR 68 Ca 0.00 -1.50 -0.05 0.00 -1.18 0.00 0.00 61.69 58.96 2dj4 s THR 68 Cb 0.00 -2.64 0.03 0.00 1.34 0.00 0.00 72.50 71.24 2dj4 s THR 68 CO 0.00 0.00 0.19 -1.00 -0.54 0.00 0.00 174.62 173.27 2dj4 s HIS 69 N -3.03 -0.23 0.03 3.99 3.76 0.04 -1.69 115.29 118.16 2dj4 s HIS 69 Ca 0.28 0.58 -0.14 0.00 -0.15 0.00 0.00 55.06 55.63 2dj4 s HIS 69 Cb -0.01 0.01 -0.06 0.00 1.11 0.00 0.00 32.58 33.63 2dj4 s HIS 69 CO 0.18 -0.16 0.43 0.99 -0.85 0.00 0.00 174.74 175.33 2dj4 s THR 70 N 0.82 5.01 -0.28 1.30 2.01 0.41 -0.42 115.64 124.50 2dj4 s THR 70 Ca -0.06 0.78 -0.01 0.00 0.31 0.00 0.00 61.69 62.71 2dj4 s THR 70 Cb -0.08 -3.71 0.09 0.00 0.01 0.00 0.00 72.50 68.81 2dj4 s THR 70 CO -0.05 0.49 0.07 -0.69 -0.69 0.00 0.00 174.62 173.75 2dj4 s VAL 71 N -1.18 0.93 -0.07 3.82 1.01 -1.14 -2.01 120.40 121.75 2dj4 s VAL 71 Ca 0.27 -1.23 -0.13 0.00 0.00 0.00 0.00 61.98 60.88 2dj4 s VAL 71 Cb -0.16 -1.58 -0.05 0.00 0.00 0.00 0.00 36.38 34.58 2dj4 s VAL 71 CO 0.15 -0.51 0.33 0.42 0.00 0.00 0.00 175.10 175.49 2dj4 s THR 72 N 1.62 5.20 0.34 3.92 -4.23 -1.25 -3.05 115.64 118.19 2dj4 s THR 72 Ca 0.06 0.66 -0.15 0.00 -1.18 0.00 0.00 61.69 61.08 2dj4 s THR 72 Cb -0.17 -3.64 0.03 0.00 1.34 0.00 0.00 72.50 70.06 2dj4 s THR 72 CO -0.19 0.52 0.70 -0.72 -0.54 0.00 0.00 174.62 174.39 2dj4 s TYR 73 N -0.57 0.22 -0.21 3.99 1.13 0.79 -2.61 117.35 120.10 2dj4 s TYR 73 Ca 0.20 -0.76 -0.05 0.00 -1.41 0.00 0.00 57.07 55.06 2dj4 s TYR 73 Cb -0.15 0.61 0.11 0.00 -1.10 0.00 0.00 41.96 41.43 2dj4 s TYR 73 CO 0.09 -1.38 0.37 0.99 -2.51 0.00 0.00 175.55 173.11 2dj4 s THR 74 N -2.92 -0.59 -0.76 -3.49 2.01 -1.26 -0.24 115.64 108.41 2dj4 s THR 74 Ca 0.17 0.07 -0.26 0.00 0.31 0.00 0.00 61.69 61.99 2dj4 s THR 74 Cb -0.04 -0.70 -0.03 0.00 0.01 0.00 0.00 72.50 71.74 2dj4 s THR 74 CO 0.12 -0.02 1.90 -2.16 -0.69 0.00 0.00 174.62 173.77 2dj4 s PRO 75 N 2.55 2.59 0.21 4.92 0.04 -1.26 -4.85 135.00 139.20 2dj4 s PRO 75 Ca 0.05 0.16 -0.18 0.00 0.04 0.00 0.00 61.00 61.07 2dj4 s PRO 75 Cb -0.14 -4.72 0.20 0.00 0.04 0.00 0.00 34.50 29.88 2dj4 s PRO 75 CO -0.13 -3.05 1.47 0.45 0.04 0.00 0.00 177.00 175.77 2dj4 n SER 76 N 13.35 -0.66 -4.58 6.66 2.88 -1.26 -0.33 113.62 129.69 2dj4 n SER 76 Ca 0.30 1.65 -0.26 0.00 -1.33 0.00 0.00 58.87 59.23 2dj4 n SER 76 Cb 0.50 -0.36 -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 -5.85 1.88 0.74 -1.46 -2.07 -1.26 -3.77 119.66 107.88 2dj4 s GLN 77 Ca -0.13 -2.06 -0.06 0.00 -1.82 0.00 0.00 55.36 51.29 2dj4 s GLN 77 Cb 0.18 -1.45 0.10 0.00 -1.09 0.00 0.00 33.01 30.76 2dj4 s GLN 77 CO 0.67 -0.08 1.05 -1.83 -1.32 0.00 0.00 175.29 173.77 2dj4 s GLU 78 N -3.75 1.78 0.00 9.60 4.04 -1.26 -4.77 118.70 124.33 2dj4 s GLU 78 Ca 0.35 -0.58 0.00 0.00 0.04 0.00 0.00 54.97 54.78 2dj4 s GLU 78 Cb 0.10 -2.18 0.00 0.00 0.02 0.00 0.00 34.13 32.06 2dj4 s GLU 78 CO 0.17 -1.48 0.00 0.41 -1.84 0.00 0.00 175.26 172.53 2dj4 n GLY 79 N -3.00 1.55 3.56 -3.83 0.00 -1.12 -4.85 105.19 97.50 2dj4 n GLY 79 Ca 0.11 -2.22 -0.27 0.00 0.00 0.00 0.00 46.02 43.65 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 -1.38 2.55 0.71 1.61 0.04 -1.26 -0.66 135.00 136.62 2dj4 s PRO 80 Ca 0.00 -0.37 -0.11 0.00 0.04 0.00 0.00 61.00 60.56 2dj4 s PRO 80 Cb 0.00 -5.08 0.02 0.00 0.04 0.00 0.00 34.50 29.48 2dj4 s PRO 80 CO 0.00 -3.43 1.08 0.71 0.04 0.00 0.00 177.00 175.40 2dj4 s TYR 81 N 10.16 3.26 -0.16 0.56 1.51 0.11 -3.88 117.35 128.92 2dj4 s TYR 81 Ca 0.70 1.13 -0.03 0.00 -1.01 0.00 0.00 57.07 57.87 2dj4 s TYR 81 Cb -0.06 -3.01 0.05 0.00 -0.11 0.00 0.00 41.96 38.82 2dj4 s TYR 81 CO 0.00 -1.23 0.03 1.41 -1.11 0.00 0.00 175.55 174.65 2dj4 s MET 82 N -5.27 0.61 -0.54 -0.62 1.75 -0.64 -1.97 119.30 112.62 2dj4 s MET 82 Ca 0.58 -0.24 -0.10 0.00 -1.25 0.00 0.00 55.69 54.68 2dj4 s MET 82 Cb -0.12 -1.75 0.14 0.00 2.84 0.00 0.00 34.83 35.94 2dj4 s MET 82 CO 0.53 -0.54 0.43 0.08 -0.65 0.00 0.00 175.02 174.87 2dj4 s VAL 83 N 1.91 4.49 0.27 10.11 1.01 0.08 -0.52 120.40 137.76 2dj4 s VAL 83 Ca 0.01 -1.95 -0.23 0.00 0.00 0.00 0.00 61.98 59.81 2dj4 s VAL 83 Cb -0.16 -3.92 -0.09 0.00 0.00 0.00 0.00 36.38 32.22 2dj4 s VAL 83 CO -0.07 -0.83 0.83 -0.55 0.00 0.00 0.00 175.10 174.47 2dj4 s SER 84 N 2.55 7.20 0.00 3.32 0.15 0.25 -1.17 113.70 126.02 2dj4 s SER 84 Ca 0.08 1.62 0.00 0.00 0.70 0.00 0.00 55.95 58.35 2dj4 s SER 84 Cb -0.24 -2.50 -0.00 0.00 -1.71 0.00 0.00 66.02 61.57 2dj4 s SER 84 CO -0.01 -0.01 -0.01 -0.69 1.20 0.00 0.00 173.24 173.72 2dj4 s VAL 85 N -1.55 0.04 0.33 4.45 1.01 -1.26 -0.05 120.40 123.37 2dj4 s VAL 85 Ca 0.46 -0.22 0.04 0.00 0.00 0.00 0.00 61.98 62.25 2dj4 s VAL 85 Cb -0.18 -0.08 -0.06 0.00 0.00 0.00 0.00 36.38 36.06 2dj4 s VAL 85 CO 0.22 -0.11 0.06 -0.75 0.00 0.00 0.00 175.10 174.52 2dj4 s LYS 86 N -0.35 1.67 -0.28 2.72 2.20 -0.66 -3.52 119.74 121.53 2dj4 s LYS 86 Ca -0.04 -1.93 -0.01 0.00 -0.36 0.00 0.00 55.97 53.63 2dj4 s LYS 86 Cb -0.02 -0.84 0.17 0.00 -1.51 0.00 0.00 37.83 35.62 2dj4 s LYS 86 CO -0.00 -0.21 0.51 -0.47 -0.36 0.00 0.00 175.35 174.82 2dj4 s TYR 87 N -3.30 -1.30 -1.19 4.03 5.04 -1.00 -1.91 117.35 117.71 2dj4 s TYR 87 Ca 0.36 1.32 -0.07 0.00 -2.44 0.00 0.00 57.07 56.23 2dj4 s TYR 87 Cb 0.08 0.33 0.01 0.00 0.35 0.00 0.00 41.96 42.73 2dj4 s TYR 87 CO 0.15 -0.83 1.04 0.00 -1.34 0.00 0.00 175.55 174.58 2dj4 n ALA 88 N 5.40 -1.21 -2.94 3.97 0.00 -1.18 -2.22 120.51 122.33 2dj4 n ALA 88 Ca -0.02 0.33 -0.18 0.00 0.00 0.00 0.00 53.44 53.57 2dj4 n ALA 88 Cb 0.51 -4.75 0.03 0.00 0.00 0.00 0.00 19.45 15.24 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 -2.54 -5.23 -3.43 0.00 9.92 -1.26 -4.99 116.55 109.02 2dj4 n ASP 89 Ca -0.01 -0.26 -0.16 0.00 -0.53 0.00 0.00 54.79 53.82 2dj4 n ASP 89 Cb 0.56 -4.04 -0.11 0.00 -0.64 0.00 0.00 41.12 36.90 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 -5.55 0.28 -0.21 -1.24 2.02 -0.94 -5.11 118.70 107.94 2dj4 s GLU 90 Ca 0.28 0.08 -0.36 0.00 0.02 0.00 0.00 54.97 54.99 2dj4 s GLU 90 Cb -0.12 -0.83 -0.12 0.00 0.10 0.00 0.00 34.13 33.16 2dj4 s GLU 90 CO 0.34 -0.84 1.94 0.39 0.02 0.00 0.00 175.26 177.12 2dj4 n GLU 91 N 5.32 1.63 -1.35 1.61 1.02 -1.26 -2.38 120.64 125.23 2dj4 n GLU 91 Ca -0.04 0.56 -0.36 0.00 -0.02 0.00 0.00 57.16 57.31 2dj4 n GLU 91 Cb 0.48 -2.49 0.08 0.00 -0.02 0.00 0.00 31.44 29.49 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 5.67 2.67 0.97 -3.67 -5.35 -1.23 -4.83 119.36 113.59 2dj4 n ILE 92 Ca 0.29 -0.38 0.04 0.00 -0.27 0.00 0.00 62.75 62.43 2dj4 n ILE 92 Cb 0.24 -1.05 0.24 0.00 -1.74 0.00 0.00 39.64 37.34 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 -1.68 0.49 -0.02 6.28 -0.04 -1.26 -1.70 135.00 137.07 2dj4 n PRO 93 Ca 0.13 0.00 0.02 0.00 -0.04 0.00 0.00 63.50 63.60 2dj4 n PRO 93 Cb 0.49 -1.26 0.02 0.00 -0.04 0.00 0.00 33.50 32.72 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 -0.76 0.52 -4.34 0.54 5.12 -1.26 -5.02 116.66 111.45 2dj4 n ARG 94 Ca 0.06 -1.00 -0.27 0.00 -1.93 0.00 0.00 57.85 54.71 2dj4 n ARG 94 Cb 0.03 -1.07 -0.10 0.00 -1.16 0.00 0.00 32.46 30.15 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 -0.50 3.92 1.26 0.55 0.15 -0.69 -4.26 113.70 114.12 2dj4 s SER 95 Ca 0.05 -0.68 -0.21 0.00 0.70 0.00 0.00 55.95 55.81 2dj4 s SER 95 Cb 0.03 -0.53 0.31 0.00 -1.71 0.00 0.00 66.02 64.12 2dj4 s SER 95 CO 0.05 0.12 1.10 -0.81 1.20 0.00 0.00 173.24 174.90 2dj4 n PRO 96 N 0.19 -3.19 -4.93 5.44 -0.04 -1.26 -4.80 135.00 126.40 2dj4 n PRO 96 Ca -0.12 -1.77 -0.33 0.00 -0.04 0.00 0.00 63.50 61.25 2dj4 n PRO 96 Cb 0.55 -1.66 -0.16 0.00 -0.04 0.00 0.00 33.50 32.20 2dj4 n PRO 96 CO 0.00 0.00 0.00 -0.06 -0.04 0.00 0.00 175.50 175.40 2dj4 s PHE 97 N -3.00 2.69 -0.48 0.54 0.40 -0.31 -4.95 117.98 112.87 2dj4 s PHE 97 Ca 0.72 -0.93 -0.19 0.00 -0.60 0.00 0.00 56.93 55.92 2dj4 s PHE 97 Cb -0.07 -1.79 0.04 0.00 0.51 0.00 0.00 43.02 41.71 2dj4 s PHE 97 CO 0.55 -0.37 0.62 0.15 0.70 0.00 0.00 175.22 176.87 2dj4 s LYS 98 N 0.45 3.17 -0.29 0.44 1.02 -1.26 -0.74 119.74 122.52 2dj4 s LYS 98 Ca -0.13 -0.71 0.03 0.00 0.02 0.00 0.00 55.97 55.17 2dj4 s LYS 98 Cb -0.17 -4.04 0.07 0.00 -0.52 0.00 0.00 37.83 33.18 2dj4 s LYS 98 CO 0.06 -1.12 -0.05 0.08 -0.92 0.00 0.00 175.35 173.39 2dj4 s VAL 99 N 2.66 2.29 -0.58 3.17 1.01 -0.83 -5.01 120.40 123.10 2dj4 s VAL 99 Ca 0.17 -1.82 -0.27 0.00 0.00 0.00 0.00 61.98 60.06 2dj4 s VAL 99 Cb -0.17 -2.45 0.03 0.00 0.00 0.00 0.00 36.38 33.79 2dj4 s VAL 99 CO 0.14 -0.21 1.12 -0.75 0.00 0.00 0.00 175.10 175.41 2dj4 s LYS 100 N 1.06 3.43 0.54 2.72 2.20 -1.26 -0.71 119.74 127.72 2dj4 s LYS 100 Ca -0.03 0.05 -0.18 0.00 -0.36 0.00 0.00 55.97 55.45 2dj4 s LYS 100 Cb -0.20 -4.04 -0.06 0.00 -1.51 0.00 0.00 37.83 32.02 2dj4 s LYS 100 CO -0.05 -1.66 1.05 0.08 -0.36 0.00 0.00 175.35 174.40 2dj4 s VAL 101 N 4.71 3.83 0.20 4.02 1.01 0.17 -4.56 120.40 129.77 2dj4 s VAL 101 Ca 0.38 0.99 0.10 0.00 0.00 0.00 0.00 61.98 63.46 2dj4 s VAL 101 Cb -0.09 -3.43 -0.04 0.00 0.00 0.00 0.00 36.38 32.82 2dj4 s VAL 101 CO 0.23 -0.39 -0.17 -0.76 0.00 0.00 0.00 175.10 174.00 2dj4 s LEU 102 N -4.01 2.68 -0.05 3.92 1.43 0.12 -2.78 118.68 119.99 2dj4 s LEU 102 Ca 0.65 -0.76 -0.30 0.00 -1.03 0.00 0.00 54.13 52.70 2dj4 s LEU 102 Cb -0.16 -1.38 -0.05 0.00 0.03 0.00 0.00 46.19 44.64 2dj4 s LEU 102 CO 0.29 0.11 1.49 -2.16 0.23 0.00 0.00 176.35 176.30 2dj4 s PRO 103 N -2.82 4.23 0.38 1.29 0.04 -1.26 0.34 135.00 137.21 2dj4 s PRO 103 Ca 0.23 2.02 0.33 0.00 0.04 0.00 0.00 61.00 63.62 2dj4 s PRO 103 Cb -0.08 -3.77 1.23 0.00 0.04 0.00 0.00 34.50 31.92 2dj4 s PRO 103 CO 0.13 -0.71 1.17 2.41 0.04 0.00 0.00 177.00 180.03 2dj4 n THR 104 N 5.11 -0.07 -0.81 1.26 -1.04 -1.26 0.22 114.28 117.69 2dj4 n THR 104 Ca 0.15 1.20 -0.17 0.00 -2.04 0.00 0.00 64.05 63.19 2dj4 n THR 104 Cb 0.43 -1.98 0.05 0.00 -1.82 0.00 0.00 70.33 67.01 2dj4 n THR 104 CO 0.00 0.00 0.00 -1.22 -0.64 0.00 0.00 175.07 173.21 2dj4 n TYR 105 N -3.70 1.62 -2.77 -1.42 4.02 -1.26 -4.92 117.16 108.73 2dj4 n TYR 105 Ca 0.32 -1.92 -0.42 0.00 -0.01 0.00 0.00 57.90 55.88 2dj4 n TYR 105 Cb 1.39 -0.93 -0.03 0.00 -0.02 0.00 0.00 39.34 39.75 2dj4 n TYR 105 CO 0.00 0.00 0.00 0.34 -1.01 0.00 0.00 176.86 176.19 2dj4 s ASP 106 N 0.05 7.10 -0.94 7.72 2.15 0.61 -4.99 116.67 128.36 2dj4 s ASP 106 Ca 0.32 1.35 -0.03 0.00 0.43 0.00 0.00 52.55 54.63 2dj4 s ASP 106 Cb 0.25 -2.51 0.24 0.00 -0.30 0.00 0.00 42.92 40.60 2dj4 s ASP 106 CO 0.00 -0.47 0.91 0.00 -0.17 0.00 0.00 175.17 175.44 2dj4 n ALA 107 N 5.36 4.02 0.23 3.66 0.00 -1.26 -5.07 120.51 127.44 2dj4 n ALA 107 Ca 0.08 -4.64 0.02 0.00 0.00 0.00 0.00 53.44 48.89 2dj4 n ALA 107 Cb 0.48 -1.84 0.11 0.00 0.00 0.00 0.00 19.45 18.20 2dj4 n ALA 107 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95