#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jca s SER 2 N 0.00 0.22 -0.14 6.12 0.15 0.47 -4.90 113.70 115.62 2jca s SER 2 Ca 0.00 -0.84 -0.29 0.00 0.70 0.00 0.00 55.95 55.52 2jca s SER 2 Cb 0.00 0.32 -0.02 0.00 -1.71 0.00 0.00 66.02 64.61 2jca s SER 2 CO 0.00 -0.73 1.22 -0.63 1.20 0.00 0.00 173.24 174.30 2jca s ILE 3 N -3.92 4.32 -0.16 6.45 1.01 -1.26 -0.06 121.20 127.58 2jca s ILE 3 Ca 0.10 1.61 -0.12 0.00 0.00 0.00 0.00 60.65 62.24 2jca s ILE 3 Cb 0.06 -4.04 -0.23 0.00 0.01 0.00 0.00 42.46 38.26 2jca s ILE 3 CO -0.07 -0.10 0.27 -0.38 0.00 0.00 0.00 174.94 174.65 2jca n ILE 4 N 5.15 1.68 -3.50 2.92 5.41 -0.03 -4.91 119.36 126.08 2jca n ILE 4 Ca 0.13 -0.44 -0.14 0.00 1.00 0.00 0.00 62.75 63.30 2jca n ILE 4 Cb 0.45 -1.83 -0.04 0.00 -0.71 0.00 0.00 39.64 37.51 2jca n ILE 4 CO 0.00 0.00 0.00 -0.83 0.00 0.00 0.00 176.55 175.72 2jca s GLY 5 N -5.38 -0.54 0.10 7.39 0.00 -1.15 -5.02 107.32 102.72 2jca s GLY 5 Ca -0.26 0.76 0.07 0.00 0.00 0.00 0.00 44.72 45.30 2jca s GLY 5 CO 0.69 0.43 -0.19 0.54 0.00 0.00 0.00 173.10 174.58 2jca s VAL 6 N -2.58 1.56 0.01 1.40 0.11 -1.26 -1.14 120.40 118.50 2jca s VAL 6 Ca -0.04 -1.51 -0.00 0.00 -2.93 0.00 0.00 61.98 57.50 2jca s VAL 6 Cb -0.01 -1.45 -0.01 0.00 -1.53 0.00 0.00 36.38 33.38 2jca s VAL 6 CO -0.03 -0.12 -0.02 -0.83 -3.33 0.00 0.00 175.10 170.77 2jca s GLY 7 N -1.92 0.13 0.04 6.54 0.00 0.42 -3.55 107.32 108.98 2jca s GLY 7 Ca 0.05 -0.32 0.01 0.00 0.00 0.00 0.00 44.72 44.46 2jca s GLY 7 CO 0.04 -0.36 -0.06 -1.50 0.00 0.00 0.00 173.10 171.22 2jca s ILE 8 N -0.80 0.38 -0.15 0.90 2.07 -1.26 -0.69 121.20 121.66 2jca s ILE 8 Ca -0.09 -1.10 -0.12 0.00 -1.41 0.00 0.00 60.65 57.93 2jca s ILE 8 Cb -0.05 -0.58 0.04 0.00 0.13 0.00 0.00 42.46 42.00 2jca s ILE 8 CO -0.01 -0.47 0.39 -0.62 -1.91 0.00 0.00 174.94 172.32 2jca s ASP 9 N -1.67 -0.43 -0.04 4.50 2.15 -0.58 -4.59 116.67 116.01 2jca s ASP 9 Ca -0.10 0.80 0.00 0.00 0.43 0.00 0.00 52.55 53.68 2jca s ASP 9 Cb -0.08 0.77 0.03 0.00 -0.30 0.00 0.00 42.92 43.34 2jca s ASP 9 CO -0.01 -0.15 -0.02 -0.69 -0.17 0.00 0.00 175.17 174.14 2jca s VAL 10 N 0.54 0.34 0.04 1.11 1.01 -1.26 -1.01 120.40 121.16 2jca s VAL 10 Ca -0.03 0.02 0.03 0.00 0.00 0.00 0.00 61.98 62.01 2jca s VAL 10 Cb -0.04 -0.42 -0.02 0.00 0.00 0.00 0.00 36.38 35.90 2jca s VAL 10 CO -0.03 0.19 -0.10 0.00 0.00 0.00 0.00 175.10 175.16 2jca s ALA 11 N 1.16 0.85 -0.03 5.51 0.00 0.69 -4.99 121.76 124.94 2jca s ALA 11 Ca -0.08 -0.72 -0.30 0.00 0.00 0.00 0.00 51.96 50.87 2jca s ALA 11 Cb -0.14 -0.09 -0.04 0.00 0.00 0.00 0.00 23.12 22.86 2jca s ALA 11 CO -0.02 0.12 1.28 -1.21 0.00 0.00 0.00 175.76 175.94 2jca s GLU 12 N -1.16 4.32 0.21 0.00 2.02 -1.26 -0.85 118.70 121.98 2jca s GLU 12 Ca -0.02 1.79 -0.08 0.00 0.02 0.00 0.00 54.97 56.68 2jca s GLU 12 Cb -0.08 -3.57 0.15 0.00 0.10 0.00 0.00 34.13 30.74 2jca s GLU 12 CO 0.01 -0.51 1.76 0.28 0.02 0.00 0.00 175.26 176.82 2jca h VAL 13 N 4.98 1.26 -0.92 2.63 2.07 -1.18 -1.63 116.25 123.47 2jca h VAL 13 Ca -0.35 -0.88 0.01 0.00 0.82 0.00 0.00 66.70 66.30 2jca h VAL 13 Cb 1.17 0.37 -0.05 0.00 -1.52 0.00 0.00 31.29 31.27 2jca h VAL 13 CO 0.89 0.35 0.61 -0.08 0.02 0.00 0.00 177.57 179.36 2jca h GLU 14 N 1.14 1.21 -0.29 1.57 4.81 -1.84 0.91 114.58 122.09 2jca h GLU 14 Ca 0.25 -0.08 -0.07 0.00 -0.13 0.00 0.00 59.36 59.34 2jca h GLU 14 Cb 0.27 -0.27 -0.01 0.00 0.63 0.00 0.00 28.75 29.37 2jca h GLU 14 CO -0.01 0.80 -0.09 -0.09 -0.73 0.00 0.00 179.01 178.89 2jca h ARG 15 N 1.25 0.57 -0.82 1.92 2.43 -1.76 0.25 114.38 118.22 2jca h ARG 15 Ca 0.34 -0.23 0.01 0.00 -0.81 0.00 0.00 59.98 59.29 2jca h ARG 15 Cb -0.14 -0.03 -0.04 0.00 -0.42 0.00 0.00 29.97 29.34 2jca h ARG 15 CO -0.07 0.78 0.54 0.35 -1.51 0.00 0.00 179.97 180.06 2jca h PHE 16 N 0.32 1.02 -0.59 2.20 3.57 -0.98 -1.66 116.94 120.82 2jca h PHE 16 Ca 0.07 0.02 -0.09 0.00 3.53 0.00 0.00 57.97 61.50 2jca h PHE 16 Cb 0.59 -0.34 -0.02 0.00 2.79 0.00 0.00 35.95 38.96 2jca h PHE 16 CO 0.05 0.63 -0.00 0.78 -2.23 0.00 0.00 178.31 177.54 2jca h GLY 17 N 1.09 1.11 0.73 2.40 0.00 -0.63 -1.66 103.07 106.11 2jca h GLY 17 Ca 0.31 -0.80 0.04 0.00 0.00 0.00 0.00 47.33 46.87 2jca h GLY 17 CO -0.08 0.74 0.17 0.00 0.00 0.00 0.00 176.54 177.37 2jca h ALA 18 N 1.05 0.48 -0.64 3.60 0.00 -0.68 -1.46 119.26 121.60 2jca h ALA 18 Ca 0.17 0.03 -0.02 0.00 0.00 0.00 0.00 54.91 55.09 2jca h ALA 18 Cb 0.55 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 18.29 2jca h ALA 18 CO 0.03 -0.21 0.34 0.00 0.00 0.00 0.00 179.25 179.41 2jca h ALA 19 N 1.23 0.83 -0.59 0.00 0.00 -0.90 0.20 119.26 120.02 2jca h ALA 19 Ca 0.18 -0.12 -0.05 0.00 0.00 0.00 0.00 54.91 54.92 2jca h ALA 19 Cb 0.12 -0.26 -0.03 0.00 0.00 0.00 0.00 17.79 17.63 2jca h ALA 19 CO -0.15 0.36 0.17 -0.07 0.00 0.00 0.00 179.25 179.56 2jca h LEU 20 N 0.88 0.84 -0.20 0.00 3.38 -1.18 -2.40 115.31 116.63 2jca h LEU 20 Ca 0.22 -0.14 -0.07 0.00 0.09 0.00 0.00 57.88 57.98 2jca h LEU 20 Cb 0.06 -0.22 -0.00 0.00 0.09 0.00 0.00 40.66 40.59 2jca h LEU 20 CO -0.03 0.80 -0.17 -0.08 0.09 0.00 0.00 178.44 179.05 2jca h GLU 21 N 0.87 0.46 -0.95 1.13 4.81 -0.55 -3.09 114.58 117.26 2jca h GLU 21 Ca 0.19 -0.23 0.19 0.00 -0.13 0.00 0.00 59.36 59.39 2jca h GLU 21 Cb 0.27 0.00 -0.08 0.00 0.63 0.00 0.00 28.75 29.57 2jca h GLU 21 CO -0.01 0.79 0.61 0.00 -0.73 0.00 0.00 179.01 179.68 2jca h ARG 22 N 0.13 0.56 -2.58 1.92 3.08 -0.42 -3.37 114.38 113.71 2jca h ARG 22 Ca 0.03 -0.03 -0.56 0.00 0.07 0.00 0.00 59.98 59.49 2jca h ARG 22 Cb 0.70 -0.13 -0.39 0.00 0.08 0.00 0.00 29.97 30.23 2jca h ARG 22 CO 0.04 0.37 -0.83 0.99 -1.07 0.00 0.00 179.97 179.48 2jca s THR 23 N -5.62 0.07 0.52 2.04 2.01 -0.92 -5.00 115.64 108.74 2jca s THR 23 Ca -0.10 -1.52 0.25 0.00 0.31 0.00 0.00 61.69 60.64 2jca s THR 23 Cb 0.24 -1.07 0.40 0.00 0.01 0.00 0.00 72.50 72.08 2jca s THR 23 CO 0.79 -0.93 1.98 -0.65 -0.69 0.00 0.00 174.62 175.12 2jca h PRO 24 N 7.23 0.04 0.00 4.92 0.11 -1.72 -1.29 132.00 141.30 2jca h PRO 24 Ca 0.02 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.13 2jca h PRO 24 Cb 0.98 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.08 2jca h PRO 24 CO 0.28 0.03 0.00 0.00 -0.21 0.00 0.00 178.00 178.10 2jca h ALA 25 N 1.71 1.00 -0.94 -0.75 0.00 -1.95 -3.30 119.26 115.02 2jca h ALA 25 Ca 0.28 0.00 0.04 0.00 0.00 0.00 0.00 54.91 55.23 2jca h ALA 25 Cb 1.07 0.00 -0.06 0.00 0.00 0.00 0.00 17.79 18.80 2jca h ALA 25 CO -0.01 0.00 0.61 1.25 0.00 0.00 0.00 179.25 181.10 2jca h LEU 26 N 0.00 1.00 -0.71 0.00 5.85 -1.55 -2.81 115.31 117.10 2jca h LEU 26 Ca 0.00 -0.00 0.09 0.00 0.84 0.00 0.00 57.88 58.80 2jca h LEU 26 Cb 0.60 -0.22 -0.07 0.00 0.37 0.00 0.00 40.66 41.34 2jca h LEU 26 CO 0.00 0.67 0.36 0.00 -0.34 0.00 0.00 178.44 179.14 2jca h ALA 27 N 1.40 0.97 0.00 1.25 0.00 -1.76 -0.18 119.26 120.94 2jca h ALA 27 Ca 0.39 0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.34 2jca h ALA 27 Cb 0.05 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.78 2jca h ALA 27 CO -0.14 -0.02 0.00 0.41 0.00 0.00 0.00 179.25 179.50 2jca n GLY 28 N -1.30 -1.59 0.10 0.00 0.00 -1.08 -1.62 105.19 99.71 2jca n GLY 28 Ca 0.11 -0.03 -0.02 0.00 0.00 0.00 0.00 46.02 46.07 2jca n GLY 28 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 2jca h ARG 29 N 0.00 0.00 0.00 1.61 3.08 -0.87 -3.38 114.38 114.83 2jca h ARG 29 Ca 0.00 0.00 -0.22 0.00 0.07 0.00 0.00 59.98 59.83 2jca h ARG 29 Cb 0.62 0.00 -0.04 0.00 0.08 0.00 0.00 29.97 30.63 2jca h ARG 29 CO 0.00 0.74 -1.77 1.28 -1.07 0.00 0.00 179.97 179.15 2jca n LEU 30 N -3.30 0.56 -4.08 3.04 4.77 -0.69 -4.19 117.00 113.11 2jca n LEU 30 Ca 0.01 0.25 -0.20 0.00 -0.03 0.00 0.00 56.01 56.04 2jca n LEU 30 Cb 0.83 0.19 -0.15 0.00 -2.33 0.00 0.00 43.42 41.96 2jca n LEU 30 CO 0.44 0.26 -0.46 -0.36 -1.33 0.00 0.00 177.39 175.94 2jca s PHE 31 N -2.83 1.07 0.58 -1.77 0.08 -0.64 -4.32 117.98 110.16 2jca s PHE 31 Ca -0.06 -0.22 -0.16 0.00 0.12 0.00 0.00 56.93 56.61 2jca s PHE 31 Cb 0.08 -0.68 -0.04 0.00 -0.57 0.00 0.00 43.02 41.81 2jca s PHE 31 CO 0.83 -0.01 1.06 -0.51 -0.10 0.00 0.00 175.22 176.48 2jca s LEU 32 N -0.40 3.55 0.46 -0.37 1.02 -1.26 -4.56 118.68 117.12 2jca s LEU 32 Ca 0.04 1.84 0.19 0.00 0.02 0.00 0.00 54.13 56.23 2jca s LEU 32 Cb -0.05 -4.54 1.17 0.00 0.02 0.00 0.00 46.19 42.79 2jca s LEU 32 CO -0.00 -1.13 1.93 -0.33 0.02 0.00 0.00 176.35 176.85 2jca h GLU 33 N 0.60 0.27 0.00 1.70 4.39 -1.97 0.99 114.58 120.57 2jca h GLU 33 Ca -0.47 -0.02 -0.01 0.00 0.34 0.00 0.00 59.36 59.20 2jca h GLU 33 Cb 1.22 -0.06 -0.00 0.00 -0.10 0.00 0.00 28.75 29.81 2jca h GLU 33 CO 0.58 0.18 -0.07 0.66 -1.16 0.00 0.00 179.01 179.20 2jca h SER 34 N 0.28 0.00 0.67 1.42 4.64 -1.92 -0.75 113.55 117.89 2jca h SER 34 Ca 0.35 0.00 -0.26 0.00 -0.47 0.00 0.00 61.79 61.41 2jca h SER 34 Cb 0.96 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 63.01 2jca h SER 34 CO -0.09 0.07 -1.44 -0.33 -0.87 0.00 0.00 176.83 174.17 2jca h GLU 35 N 0.00 0.01 0.00 4.77 5.08 -1.17 -3.36 114.58 119.90 2jca h GLU 35 Ca -0.00 -0.02 -0.20 0.00 -1.00 0.00 0.00 59.36 58.14 2jca h GLU 35 Cb 0.13 0.01 -0.03 0.00 0.50 0.00 0.00 28.75 29.36 2jca h GLU 35 CO 0.01 0.71 -0.94 -0.07 -1.00 0.00 0.00 179.01 177.71 2jca h LEU 36 N 0.00 0.00 -8.66 1.33 3.38 -0.57 -3.44 115.31 107.35 2jca h LEU 36 Ca -0.18 0.00 -0.65 0.00 0.09 0.00 0.00 57.88 57.14 2jca h LEU 36 Cb 1.92 0.00 -0.22 0.00 0.09 0.00 0.00 40.66 42.45 2jca h LEU 36 CO 0.10 0.94 -0.63 -0.76 0.09 0.00 0.00 178.44 178.18 2jca s LEU 37 N -6.82 3.41 0.73 1.67 1.43 -0.35 -0.66 118.68 118.08 2jca s LEU 37 Ca 0.01 -0.20 -0.15 0.00 -1.03 0.00 0.00 54.13 52.76 2jca s LEU 37 Cb 0.10 -1.90 0.04 0.00 0.03 0.00 0.00 46.19 44.46 2jca s LEU 37 CO 0.81 -0.01 1.18 -0.76 0.23 0.00 0.00 176.35 177.80 2jca s LEU 38 N 1.46 3.30 0.21 1.79 1.43 -0.14 -4.85 118.68 121.88 2jca s LEU 38 Ca 0.06 2.26 -0.32 0.00 -1.03 0.00 0.00 54.13 55.10 2jca s LEU 38 Cb -0.15 -4.58 -0.15 0.00 0.03 0.00 0.00 46.19 41.35 2jca s LEU 38 CO 0.03 -2.17 1.18 -2.65 0.23 0.00 0.00 176.35 172.97 2jca n PRO 39 N -2.76 1.38 0.00 1.29 -0.02 -1.26 -1.18 135.00 132.45 2jca n PRO 39 Ca 0.13 0.49 0.00 0.00 -2.02 0.00 0.00 63.50 62.10 2jca n PRO 39 Cb 0.51 -1.99 0.00 0.00 -0.02 0.00 0.00 33.50 31.99 2jca n PRO 39 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2jca n GLY 40 N 1.89 3.22 0.00 -1.23 0.00 -1.26 -4.47 105.19 103.33 2jca n GLY 40 Ca 0.13 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.15 2jca n GLY 40 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2jca n GLY 41 N -1.56 0.69 3.75 -0.02 0.00 -0.32 -5.09 105.19 102.64 2jca n GLY 41 Ca 0.00 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.67 2jca n GLY 41 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2jca s GLU 42 N -0.91 2.81 0.15 1.61 2.12 -1.26 -4.78 118.70 118.44 2jca s GLU 42 Ca 0.00 1.71 -0.30 0.00 0.36 0.00 0.00 54.97 56.74 2jca s GLU 42 Cb 0.00 -1.92 -0.08 0.00 0.26 0.00 0.00 34.13 32.39 2jca s GLU 42 CO 0.00 -1.31 1.31 0.50 -0.54 0.00 0.00 175.26 175.22 2jca s ARG 43 N -3.58 4.39 0.27 4.30 3.52 -1.26 -0.97 118.95 125.62 2jca s ARG 43 Ca 0.74 2.00 -0.30 0.00 -0.13 0.00 0.00 55.73 58.04 2jca s ARG 43 Cb -0.28 -3.24 -0.13 0.00 -1.56 0.00 0.00 34.95 29.74 2jca s ARG 43 CO 0.36 -0.29 1.30 -2.13 -0.81 0.00 0.00 175.30 173.73 2jca n ARG 44 N 3.23 1.90 -1.07 5.12 0.63 0.17 -4.76 116.66 121.89 2jca n ARG 44 Ca 0.08 0.67 -0.31 0.00 -0.92 0.00 0.00 57.85 57.37 2jca n ARG 44 Cb 0.43 -2.26 0.12 0.00 0.45 0.00 0.00 32.46 31.21 2jca n ARG 44 CO 0.00 0.00 0.00 0.20 -2.51 0.00 0.00 177.63 175.32 2jca s GLY 45 N -0.02 1.77 0.24 5.14 0.00 -1.26 -4.80 107.32 108.39 2jca s GLY 45 Ca 0.64 0.48 -0.06 0.00 0.00 0.00 0.00 44.72 45.78 2jca s GLY 45 CO 0.55 0.86 1.84 -0.39 0.00 0.00 0.00 173.10 175.95 2jca h VAL 46 N -1.30 1.25 -0.39 1.40 -1.51 -1.98 -1.47 116.25 112.25 2jca h VAL 46 Ca -0.44 -0.70 -0.05 0.00 -1.23 0.00 0.00 66.70 64.27 2jca h VAL 46 Cb 1.25 0.23 -0.01 0.00 -2.13 0.00 0.00 31.29 30.62 2jca h VAL 46 CO 0.47 0.30 0.03 0.00 -1.23 0.00 0.00 177.57 177.14 2jca h ALA 47 N 1.28 0.52 -0.57 5.19 0.00 -1.91 0.29 119.26 124.06 2jca h ALA 47 Ca 0.28 -0.24 -0.10 0.00 0.00 0.00 0.00 54.91 54.84 2jca h ALA 47 Cb 0.12 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.74 2jca h ALA 47 CO -0.03 0.27 -0.05 1.03 0.00 0.00 0.00 179.25 180.46 2jca h SER 48 N 0.50 1.03 -0.36 0.00 0.87 -1.88 -1.68 113.55 112.03 2jca h SER 48 Ca 0.11 -0.32 -0.01 0.00 -1.23 0.00 0.00 61.79 60.35 2jca h SER 48 Cb 0.43 -0.28 -0.02 0.00 -0.44 0.00 0.00 62.40 62.09 2jca h SER 48 CO 0.01 1.11 0.18 -0.07 -0.53 0.00 0.00 176.83 177.54 2jca h LEU 49 N 0.94 0.46 -0.91 2.23 3.38 -1.11 -2.73 115.31 117.57 2jca h LEU 49 Ca 0.16 -0.11 0.11 0.00 0.09 0.00 0.00 57.88 58.13 2jca h LEU 49 Cb 0.61 -0.12 -0.08 0.00 0.09 0.00 0.00 40.66 41.17 2jca h LEU 49 CO 0.04 0.43 0.55 0.00 0.09 0.00 0.00 178.44 179.55 2jca h ALA 50 N 1.04 1.34 -0.54 1.53 0.00 -0.08 -0.35 119.26 122.20 2jca h ALA 50 Ca 0.12 0.03 -0.09 0.00 0.00 0.00 0.00 54.91 54.97 2jca h ALA 50 Cb 0.09 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.69 2jca h ALA 50 CO -0.02 0.15 -0.04 0.00 0.00 0.00 0.00 179.25 179.35 2jca h ALA 51 N 1.50 0.91 -0.60 0.00 0.00 -1.18 -0.08 119.26 119.80 2jca h ALA 51 Ca 0.45 -0.31 -0.06 0.00 0.00 0.00 0.00 54.91 54.98 2jca h ALA 51 Cb 0.43 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.99 2jca h ALA 51 CO -0.26 0.64 0.13 0.00 0.00 0.00 0.00 179.25 179.76 2jca h ARG 52 N 0.87 0.97 -0.22 0.00 3.08 -1.12 -1.20 114.38 116.77 2jca h ARG 52 Ca 0.15 -0.24 -0.10 0.00 0.07 0.00 0.00 59.98 59.85 2jca h ARG 52 Cb 0.57 -0.12 -0.01 0.00 0.08 0.00 0.00 29.97 30.48 2jca h ARG 52 CO 0.03 0.90 -0.31 0.35 -1.07 0.00 0.00 179.97 179.87 2jca h PHE 53 N 0.88 0.50 -0.70 3.04 3.57 -0.80 -2.19 116.94 121.24 2jca h PHE 53 Ca 0.19 -0.12 0.03 0.00 3.53 0.00 0.00 57.97 61.60 2jca h PHE 53 Cb 0.38 -0.12 -0.04 0.00 2.79 0.00 0.00 35.95 38.96 2jca h PHE 53 CO 0.03 0.71 0.44 0.00 -2.23 0.00 0.00 178.31 177.26 2jca h ALA 54 N 1.29 0.92 -0.96 2.41 0.00 -0.73 -0.48 119.26 121.71 2jca h ALA 54 Ca 0.05 -0.03 0.02 0.00 0.00 0.00 0.00 54.91 54.95 2jca h ALA 54 Cb 0.74 -0.23 -0.05 0.00 0.00 0.00 0.00 17.79 18.25 2jca h ALA 54 CO 0.06 0.23 0.64 0.00 0.00 0.00 0.00 179.25 180.17 2jca h ALA 55 N 1.30 1.33 -0.23 0.00 0.00 -0.85 0.57 119.26 121.38 2jca h ALA 55 Ca 0.28 -0.06 -0.16 0.00 0.00 0.00 0.00 54.91 54.97 2jca h ALA 55 Cb 0.00 -0.38 -0.01 0.00 0.00 0.00 0.00 17.79 17.41 2jca h ALA 55 CO -0.10 0.61 -0.52 0.87 0.00 0.00 0.00 179.25 180.10 2jca h LYS 56 N 1.28 0.65 -0.52 0.00 1.57 -0.75 0.45 116.57 119.25 2jca h LYS 56 Ca 0.36 -0.40 -0.03 0.00 -1.87 0.00 0.00 60.65 58.71 2jca h LYS 56 Cb -0.11 0.04 -0.02 0.00 0.08 0.00 0.00 32.23 32.22 2jca h LYS 56 CO -0.09 1.01 0.21 0.93 -0.57 0.00 0.00 179.45 180.95 2jca h GLU 57 N 0.51 0.77 -0.70 3.15 4.39 -0.90 0.19 114.58 122.00 2jca h GLU 57 Ca 0.02 -0.14 -0.07 0.00 0.34 0.00 0.00 59.36 59.51 2jca h GLU 57 Cb 1.08 -0.13 -0.03 0.00 -0.10 0.00 0.00 28.75 29.57 2jca h GLU 57 CO 0.10 0.68 0.16 0.00 -1.16 0.00 0.00 179.01 178.79 2jca h ALA 58 N 1.06 0.95 -0.36 3.43 0.00 -0.68 -1.50 119.26 122.16 2jca h ALA 58 Ca 0.17 -0.25 0.03 0.00 0.00 0.00 0.00 54.91 54.86 2jca h ALA 58 Cb 0.19 -0.27 -0.03 0.00 0.00 0.00 0.00 17.79 17.68 2jca h ALA 58 CO -0.01 0.67 0.17 1.25 0.00 0.00 0.00 179.25 181.32 2jca h LEU 59 N 1.06 0.24 -0.67 0.00 5.85 -0.61 0.12 115.31 121.31 2jca h LEU 59 Ca 0.22 0.02 0.10 0.00 0.84 0.00 0.00 57.88 59.06 2jca h LEU 59 Cb 0.39 -0.02 -0.08 0.00 0.37 0.00 0.00 40.66 41.32 2jca h LEU 59 CO 0.00 0.18 0.28 0.00 -0.34 0.00 0.00 178.44 178.56 2jca h ALA 60 N 1.19 0.89 -0.28 1.25 0.00 -0.52 -1.25 119.26 120.54 2jca h ALA 60 Ca 0.15 0.08 -0.15 0.00 0.00 0.00 0.00 54.91 54.99 2jca h ALA 60 Cb 0.07 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 17.89 2jca h ALA 60 CO -0.11 -0.16 -0.43 0.87 0.00 0.00 0.00 179.25 179.42 2jca h LYS 61 N 0.47 0.71 -0.23 0.00 1.57 -0.82 0.26 116.57 118.53 2jca h LYS 61 Ca 0.34 -0.38 -0.01 0.00 -1.87 0.00 0.00 60.65 58.72 2jca h LYS 61 Cb 0.42 0.02 -0.01 0.00 0.08 0.00 0.00 32.23 32.74 2jca h LYS 61 CO -0.32 1.00 0.07 0.00 -0.57 0.00 0.00 179.45 179.64 2jca h ALA 62 N 0.95 1.71 -0.11 3.86 0.00 -0.34 -1.51 119.26 123.82 2jca h ALA 62 Ca 0.04 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.87 2jca h ALA 62 Cb 0.97 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.66 2jca h ALA 62 CO 0.09 0.23 0.00 1.28 0.00 0.00 0.00 179.25 180.85 2jca n LEU 63 N -4.43 1.13 0.00 0.00 4.77 -0.53 -4.06 117.00 113.88 2jca n LEU 63 Ca 0.00 -0.47 0.00 0.00 -0.03 0.00 0.00 56.01 55.51 2jca n LEU 63 Cb 0.13 -0.07 0.00 0.00 -2.33 0.00 0.00 43.42 41.15 2jca n LEU 63 CO 0.36 0.24 0.00 0.61 -1.33 0.00 0.00 177.39 177.26 2jca n GLY 64 N 1.02 0.40 3.65 -0.72 0.00 -0.57 -4.56 105.19 104.41 2jca n GLY 64 Ca 0.15 -0.93 -0.29 0.00 0.00 0.00 0.00 46.02 44.96 2jca n GLY 64 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2jca n ALA 65 N -0.47 -2.49 -2.48 4.61 0.00 0.89 -4.94 120.51 115.64 2jca n ALA 65 Ca 0.00 -0.20 -0.27 0.00 0.00 0.00 0.00 53.44 52.98 2jca n ALA 65 Cb 0.36 -4.05 -0.02 0.00 0.00 0.00 0.00 19.45 15.74 2jca n ALA 65 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 2jca s PRO 66 N -5.84 3.57 0.25 0.00 0.04 -1.26 -5.05 135.00 126.70 2jca s PRO 66 Ca 0.42 -0.03 -0.30 0.00 0.04 0.00 0.00 61.00 61.14 2jca s PRO 66 Cb -0.14 -2.56 -0.09 0.00 0.04 0.00 0.00 34.50 31.75 2jca s PRO 66 CO 0.85 0.06 1.27 0.00 0.04 0.00 0.00 177.00 179.21 2jca s ALA 67 N -2.37 3.49 0.00 8.56 0.00 -1.26 -4.37 121.76 125.81 2jca s ALA 67 Ca 0.44 1.11 0.00 0.00 0.00 0.00 0.00 51.96 53.51 2jca s ALA 67 Cb -0.10 -3.45 0.00 0.00 0.00 0.00 0.00 23.12 19.57 2jca s ALA 67 CO 0.36 -0.50 0.00 0.41 0.00 0.00 0.00 175.76 176.04 2jca n GLY 68 N 1.65 0.73 3.54 0.00 0.00 -1.26 -5.08 105.19 104.78 2jca n GLY 68 Ca 0.03 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.62 2jca n GLY 68 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2jca s LEU 69 N 0.00 4.34 0.15 0.99 1.43 -1.26 -4.91 118.68 119.43 2jca s LEU 69 Ca 0.00 -0.09 -0.30 0.00 -1.03 0.00 0.00 54.13 52.70 2jca s LEU 69 Cb 0.00 -2.82 -0.08 0.00 0.03 0.00 0.00 46.19 43.32 2jca s LEU 69 CO 0.00 -0.75 1.27 -0.76 0.23 0.00 0.00 176.35 176.34 2jca s LEU 70 N 2.92 4.41 0.37 1.79 1.43 -1.26 -4.92 118.68 123.42 2jca s LEU 70 Ca 0.25 2.27 0.11 0.00 -1.03 0.00 0.00 54.13 55.73 2jca s LEU 70 Cb -0.14 -3.60 0.89 0.00 0.03 0.00 0.00 46.19 43.37 2jca s LEU 70 CO 0.18 -0.49 1.86 -0.50 0.23 0.00 0.00 176.35 177.64 2jca h TRP 71 N 5.86 0.75 0.00 0.29 4.06 -1.87 -1.27 115.95 123.77 2jca h TRP 71 Ca -0.44 0.02 0.00 0.00 2.06 0.00 0.00 58.89 60.54 2jca h TRP 71 Cb 1.21 -0.23 0.00 0.00 -1.00 0.00 0.00 29.16 29.14 2jca h TRP 71 CO 0.64 0.25 0.00 0.25 -3.56 0.00 0.00 178.44 176.02 2jca n THR 72 N -4.56 0.78 1.14 1.49 -2.24 -1.26 -2.00 114.28 107.63 2jca n THR 72 Ca 0.18 0.20 0.09 0.00 -2.27 0.00 0.00 64.05 62.24 2jca n THR 72 Cb 0.53 -0.96 0.30 0.00 -2.10 0.00 0.00 70.33 68.10 2jca n THR 72 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 2jca n ASP 73 N -1.38 1.66 -4.02 3.42 8.00 -0.48 -4.73 116.55 119.03 2jca n ASP 73 Ca 0.05 -1.81 -0.22 0.00 0.71 0.00 0.00 54.79 53.53 2jca n ASP 73 Cb 0.14 -0.15 -0.16 0.00 -0.02 0.00 0.00 41.12 40.93 2jca n ASP 73 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2jca s ALA 74 N -1.70 1.02 -0.06 2.24 0.00 -0.85 -0.79 121.76 121.61 2jca s ALA 74 Ca 0.28 -0.38 0.02 0.00 0.00 0.00 0.00 51.96 51.88 2jca s ALA 74 Cb 0.15 -0.39 0.01 0.00 0.00 0.00 0.00 23.12 22.89 2jca s ALA 74 CO 0.22 0.15 -0.11 -2.00 0.00 0.00 0.00 175.76 174.02 2jca s GLU 75 N 0.28 1.57 -0.27 0.00 2.12 0.02 -4.84 118.70 117.58 2jca s GLU 75 Ca -0.05 -0.36 -0.18 0.00 0.36 0.00 0.00 54.97 54.73 2jca s GLU 75 Cb -0.10 -1.33 -0.02 0.00 0.26 0.00 0.00 34.13 32.93 2jca s GLU 75 CO 0.01 0.00 0.52 0.08 -0.54 0.00 0.00 175.26 175.33 2jca s VAL 76 N 0.74 5.06 0.25 3.70 1.01 -1.26 -0.78 120.40 129.11 2jca s VAL 76 Ca -0.13 0.84 0.06 0.00 0.00 0.00 0.00 61.98 62.75 2jca s VAL 76 Cb -0.15 -3.85 -0.05 0.00 0.00 0.00 0.00 36.38 32.32 2jca s VAL 76 CO 0.03 0.05 -0.06 -1.66 0.00 0.00 0.00 175.10 173.45 2jca s TRP 77 N 2.34 1.78 -0.19 5.22 1.48 -0.60 -4.84 118.94 124.13 2jca s TRP 77 Ca 0.21 -0.73 -0.00 0.00 -1.06 0.00 0.00 56.10 54.52 2jca s TRP 77 Cb -0.16 -0.98 0.01 0.00 -1.16 0.00 0.00 33.47 31.18 2jca s TRP 77 CO 0.10 0.21 -0.17 0.08 -4.06 0.00 0.00 176.95 173.11 2jca s VAL 78 N -3.12 2.35 0.73 -0.66 1.01 -1.26 0.22 120.40 119.67 2jca s VAL 78 Ca 0.27 -0.84 -0.11 0.00 0.00 0.00 0.00 61.98 61.30 2jca s VAL 78 Cb 0.03 -2.01 0.03 0.00 0.00 0.00 0.00 36.38 34.44 2jca s VAL 78 CO 0.10 0.51 1.09 -1.83 0.00 0.00 0.00 175.10 174.97 2jca s GLU 79 N 1.32 2.66 0.17 2.72 -1.05 -0.75 -4.90 118.70 118.86 2jca s GLU 79 Ca 0.05 0.55 -0.33 0.00 -0.15 0.00 0.00 54.97 55.09 2jca s GLU 79 Cb -0.13 -1.99 -0.16 0.00 -0.44 0.00 0.00 34.13 31.41 2jca s GLU 79 CO -0.11 -1.20 1.20 0.00 0.95 0.00 0.00 175.26 176.11 2jca n ALA 80 N -3.13 -0.68 0.00 -0.84 0.00 -1.26 -0.71 120.51 113.88 2jca n ALA 80 Ca 0.07 0.47 0.00 0.00 0.00 0.00 0.00 53.44 53.98 2jca n ALA 80 Cb 0.57 -2.05 0.00 0.00 0.00 0.00 0.00 19.45 17.97 2jca n ALA 80 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2jca n GLY 81 N 2.10 1.52 0.00 0.00 0.00 -1.26 -4.57 105.19 102.98 2jca n GLY 81 Ca 0.15 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.17 2jca n GLY 81 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2jca n GLY 82 N -2.00 0.37 3.73 -0.02 0.00 0.11 -5.07 105.19 102.31 2jca n GLY 82 Ca 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.61 2jca n GLY 82 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2jca s ARG 83 N -0.98 4.47 0.53 1.61 3.52 -1.25 -4.78 118.95 122.06 2jca s ARG 83 Ca 0.00 1.85 -0.17 0.00 -0.13 0.00 0.00 55.73 57.28 2jca s ARG 83 Cb 0.00 -3.27 -0.07 0.00 -1.56 0.00 0.00 34.95 30.05 2jca s ARG 83 CO 0.00 -0.16 1.01 -1.25 -0.81 0.00 0.00 175.30 174.09 2jca s PRO 84 N 0.24 3.79 0.15 5.12 0.04 -1.26 -1.81 135.00 141.26 2jca s PRO 84 Ca 0.55 1.07 -0.00 0.00 0.04 0.00 0.00 61.00 62.66 2jca s PRO 84 Cb -0.32 -2.11 -0.04 0.00 0.04 0.00 0.00 34.50 32.07 2jca s PRO 84 CO 0.34 -0.41 0.04 1.03 0.04 0.00 0.00 177.00 178.04 2jca s ARG 85 N -3.93 0.99 -0.16 4.56 1.81 0.13 -4.66 118.95 117.69 2jca s ARG 85 Ca 0.61 -1.47 0.00 0.00 -1.72 0.00 0.00 55.73 53.15 2jca s ARG 85 Cb -0.12 0.08 0.03 0.00 -0.45 0.00 0.00 34.95 34.49 2jca s ARG 85 CO 0.30 -0.22 -0.12 -0.51 -0.68 0.00 0.00 175.30 174.07 2jca s LEU 86 N -3.09 1.86 -0.23 2.53 1.43 -1.26 -1.55 118.68 118.36 2jca s LEU 86 Ca 0.24 -0.63 -0.11 0.00 -1.03 0.00 0.00 54.13 52.61 2jca s LEU 86 Cb 0.07 -1.16 -0.05 0.00 0.03 0.00 0.00 46.19 45.08 2jca s LEU 86 CO 0.03 -0.10 0.19 -0.60 0.23 0.00 0.00 176.35 176.10 2jca s ARG 87 N 1.48 4.09 0.02 1.70 3.52 0.04 -4.93 118.95 124.86 2jca s ARG 87 Ca 0.03 -0.20 0.07 0.00 -0.13 0.00 0.00 55.73 55.49 2jca s ARG 87 Cb -0.14 -3.54 -0.03 0.00 -1.56 0.00 0.00 34.95 29.68 2jca s ARG 87 CO -0.10 0.05 -0.20 0.14 -0.81 0.00 0.00 175.30 174.39 2jca s VAL 88 N 1.09 2.65 0.30 7.11 -7.23 -1.26 -0.80 120.40 122.25 2jca s VAL 88 Ca 0.09 -1.12 0.04 0.00 -1.81 0.00 0.00 61.98 59.18 2jca s VAL 88 Cb -0.14 -2.06 -0.03 0.00 0.56 0.00 0.00 36.38 34.71 2jca s VAL 88 CO 0.05 0.42 0.20 0.42 -0.31 0.00 0.00 175.10 175.88 2jca s THR 89 N -0.83 0.15 0.00 5.32 -4.23 0.03 -4.53 115.64 111.55 2jca s THR 89 Ca 0.13 -2.00 0.00 0.00 -1.18 0.00 0.00 61.69 58.64 2jca s THR 89 Cb -0.10 -2.49 0.00 0.00 1.34 0.00 0.00 72.50 71.24 2jca s THR 89 CO 0.03 0.00 0.00 0.61 -0.54 0.00 0.00 174.62 174.72 2jca n GLY 90 N -0.55 2.06 0.30 3.99 0.00 -1.26 -1.09 105.19 108.64 2jca n GLY 90 Ca 0.03 0.35 -0.04 0.00 0.00 0.00 0.00 46.02 46.36 2jca n GLY 90 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 2jca h THR 91 N 0.00 1.23 -0.05 2.61 1.35 -1.90 0.05 112.91 116.21 2jca h THR 91 Ca 0.00 -0.90 -0.19 0.00 -0.55 0.00 0.00 66.41 64.78 2jca h THR 91 Cb 0.00 0.74 0.01 0.00 -1.73 0.00 0.00 68.15 67.17 2jca h THR 91 CO 0.00 0.33 -0.70 0.58 -0.25 0.00 0.00 175.52 175.47 2jca h VAL 92 N 0.80 1.36 -0.86 6.82 2.07 -1.54 -2.01 116.25 122.88 2jca h VAL 92 Ca 0.17 -2.03 0.03 0.00 0.82 0.00 0.00 66.70 65.68 2jca h VAL 92 Cb 0.36 2.35 -0.05 0.00 -1.52 0.00 0.00 31.29 32.44 2jca h VAL 92 CO 0.01 0.61 0.57 0.00 0.02 0.00 0.00 177.57 178.78 2jca h ALA 93 N 0.41 1.44 -0.28 1.67 0.00 -0.79 -2.11 119.26 119.60 2jca h ALA 93 Ca -0.07 -0.05 -0.02 0.00 0.00 0.00 0.00 54.91 54.77 2jca h ALA 93 Cb 1.37 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 18.83 2jca h ALA 93 CO 0.14 0.49 0.11 0.00 0.00 0.00 0.00 179.25 179.99 2jca h ALA 94 N 1.49 0.36 -1.00 0.00 0.00 -0.91 -1.92 119.26 117.28 2jca h ALA 94 Ca 0.33 -0.12 0.03 0.00 0.00 0.00 0.00 54.91 55.16 2jca h ALA 94 Cb -0.02 -0.11 -0.06 0.00 0.00 0.00 0.00 17.79 17.60 2jca h ALA 94 CO -0.09 -0.04 0.66 -0.09 0.00 0.00 0.00 179.25 179.68 2jca h ARG 95 N 0.30 1.24 -0.30 0.00 9.65 -1.16 -2.38 114.38 121.74 2jca h ARG 95 Ca 0.09 -0.07 -0.10 0.00 -1.10 0.00 0.00 59.98 58.80 2jca h ARG 95 Cb 0.18 -0.28 -0.01 0.00 -1.39 0.00 0.00 29.97 28.47 2jca h ARG 95 CO -0.01 0.82 -0.21 0.00 2.80 0.00 0.00 179.97 183.38 2jca h ALA 96 N 1.40 0.42 -0.49 2.80 0.00 -1.22 -2.23 119.26 119.95 2jca h ALA 96 Ca 0.39 -0.36 0.09 0.00 0.00 0.00 0.00 54.91 55.03 2jca h ALA 96 Cb -0.02 -0.10 -0.08 0.00 0.00 0.00 0.00 17.79 17.59 2jca h ALA 96 CO -0.12 0.37 0.03 0.00 0.00 0.00 0.00 179.25 179.54 2jca h ALA 97 N 0.73 0.49 -0.50 0.00 0.00 -1.25 -0.54 119.26 118.19 2jca h ALA 97 Ca 0.06 0.13 -0.03 0.00 0.00 0.00 0.00 54.91 55.07 2jca h ALA 97 Cb 0.75 0.21 -0.02 0.00 0.00 0.00 0.00 17.79 18.73 2jca h ALA 97 CO 0.06 -0.36 0.19 1.49 0.00 0.00 0.00 179.25 180.63 2jca h GLU 98 N 0.15 0.72 -0.01 0.00 4.81 -1.33 -0.26 114.58 118.66 2jca h GLU 98 Ca 0.25 -0.10 0.00 0.00 -0.13 0.00 0.00 59.36 59.37 2jca h GLU 98 Cb 0.36 -0.13 0.00 0.00 0.63 0.00 0.00 28.75 29.61 2jca h GLU 98 CO -0.38 0.59 -0.03 1.28 -0.73 0.00 0.00 179.01 179.74 2jca n LEU 99 N -4.35 0.70 -1.23 1.64 4.77 -0.85 -4.94 117.00 112.75 2jca n LEU 99 Ca 0.04 -0.19 -0.10 0.00 -0.03 0.00 0.00 56.01 55.72 2jca n LEU 99 Cb 0.16 -0.05 -0.00 0.00 -2.33 0.00 0.00 43.42 41.20 2jca n LEU 99 CO 0.38 0.12 -0.10 0.61 -1.33 0.00 0.00 177.39 177.07 2jca n GLY 100 N 1.14 -0.01 3.67 -0.72 0.00 -0.11 -4.97 105.19 104.19 2jca n GLY 100 Ca 0.19 -0.44 -0.43 0.00 0.00 0.00 0.00 46.02 45.35 2jca n GLY 100 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2jca s VAL 101 N -2.57 4.22 -0.15 1.61 1.01 -0.29 -4.46 120.40 119.77 2jca s VAL 101 Ca 0.03 1.50 -0.02 0.00 0.00 0.00 0.00 61.98 63.49 2jca s VAL 101 Cb -0.01 -3.97 -0.24 0.00 0.00 0.00 0.00 36.38 32.16 2jca s VAL 101 CO 0.04 -0.08 0.23 0.00 0.00 0.00 0.00 175.10 175.28 2jca n ALA 102 N 6.09 1.09 -3.24 5.51 0.00 0.46 -4.76 120.51 125.67 2jca n ALA 102 Ca 0.13 -0.76 -0.10 0.00 0.00 0.00 0.00 53.44 52.71 2jca n ALA 102 Cb 0.45 -0.53 -0.04 0.00 0.00 0.00 0.00 19.45 19.33 2jca n ALA 102 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 2jca s SER 103 N -6.78 -0.28 0.09 0.00 1.04 -1.02 -5.04 113.70 101.71 2jca s SER 103 Ca -0.24 -0.40 0.06 0.00 0.48 0.00 0.00 55.95 55.86 2jca s SER 103 Cb 0.07 0.56 -0.03 0.00 0.10 0.00 0.00 66.02 66.72 2jca s SER 103 CO 0.73 -1.00 -0.17 0.26 0.98 0.00 0.00 173.24 174.05 2jca s TRP 104 N -3.85 1.47 -0.05 5.02 0.52 -1.26 -1.44 118.94 119.35 2jca s TRP 104 Ca 0.07 -0.46 0.03 0.00 0.02 0.00 0.00 56.10 55.77 2jca s TRP 104 Cb -0.00 -0.81 0.00 0.00 -1.15 0.00 0.00 33.47 31.51 2jca s TRP 104 CO -0.06 0.13 -0.15 -1.01 0.02 0.00 0.00 176.95 175.88 2jca s HIS 105 N -1.36 1.63 0.01 -1.98 3.76 0.07 -4.98 115.29 112.44 2jca s HIS 105 Ca 0.03 -0.53 0.01 0.00 -0.15 0.00 0.00 55.06 54.41 2jca s HIS 105 Cb -0.09 -1.13 -0.01 0.00 1.11 0.00 0.00 32.58 32.45 2jca s HIS 105 CO 0.03 -0.22 -0.03 0.54 -0.85 0.00 0.00 174.74 174.21 2jca s VAL 106 N 0.29 0.22 0.03 -0.90 0.11 -1.26 -0.55 120.40 118.33 2jca s VAL 106 Ca -0.09 -0.50 0.01 0.00 -2.93 0.00 0.00 61.98 58.47 2jca s VAL 106 Cb -0.13 -0.26 -0.02 0.00 -1.53 0.00 0.00 36.38 34.43 2jca s VAL 106 CO 0.03 -0.19 -0.05 -0.55 -3.33 0.00 0.00 175.10 171.02 2jca s SER 107 N -0.73 0.48 0.09 3.54 0.15 -0.82 -4.64 113.70 111.77 2jca s SER 107 Ca -0.06 -0.51 0.01 0.00 0.70 0.00 0.00 55.95 56.10 2jca s SER 107 Cb -0.05 0.07 -0.04 0.00 -1.71 0.00 0.00 66.02 64.29 2jca s SER 107 CO -0.00 -0.25 -0.05 -1.48 1.20 0.00 0.00 173.24 172.65 2jca s LEU 108 N -1.46 2.49 0.13 3.45 2.34 -1.26 -1.72 118.68 122.64 2jca s LEU 108 Ca -0.13 -1.01 -0.21 0.00 0.06 0.00 0.00 54.13 52.84 2jca s LEU 108 Cb -0.10 -0.01 0.06 0.00 -0.56 0.00 0.00 46.19 45.58 2jca s LEU 108 CO -0.00 -0.50 0.52 -0.94 -1.06 0.00 0.00 176.35 174.37 2jca s SER 109 N -3.02 -0.44 -0.07 1.48 1.04 0.00 -4.98 113.70 107.70 2jca s SER 109 Ca 0.11 -0.07 -0.30 0.00 0.48 0.00 0.00 55.95 56.17 2jca s SER 109 Cb 0.06 0.54 0.07 0.00 0.10 0.00 0.00 66.02 66.79 2jca s SER 109 CO -0.06 -0.89 0.68 -1.38 0.98 0.00 0.00 173.24 172.57 2jca s HIS 110 N -3.54 -0.67 0.00 5.02 -3.43 -1.26 -0.42 115.29 111.00 2jca s HIS 110 Ca 0.01 1.19 0.00 0.00 -0.80 0.00 0.00 55.06 55.46 2jca s HIS 110 Cb 0.00 0.39 0.00 0.00 -1.43 0.00 0.00 32.58 31.54 2jca s HIS 110 CO -0.11 -0.58 0.00 -0.40 -2.00 0.00 0.00 174.74 171.65 2jca n ASP 111 N 1.09 1.30 0.20 7.38 5.68 -0.60 -5.01 116.55 126.59 2jca n ASP 111 Ca -0.19 -0.36 0.06 0.00 -0.50 0.00 0.00 54.79 53.81 2jca n ASP 111 Cb 0.57 0.00 0.40 0.00 -1.14 0.00 0.00 41.12 40.94 2jca n ASP 111 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 2jca h ALA 112 N 0.49 1.10 0.00 2.12 0.00 -2.02 -3.30 119.26 117.65 2jca h ALA 112 Ca 0.00 -0.31 -0.32 0.00 0.00 0.00 0.00 54.91 54.29 2jca h ALA 112 Cb 0.00 -0.05 -0.06 0.00 0.00 0.00 0.00 17.79 17.68 2jca h ALA 112 CO 0.00 0.42 -2.19 0.41 0.00 0.00 0.00 179.25 177.90 2jca n GLY 113 N -0.01 -0.84 2.93 0.00 0.00 -1.26 -4.71 105.19 101.30 2jca n GLY 113 Ca -0.01 -0.29 -0.20 0.00 0.00 0.00 0.00 46.02 45.53 2jca n GLY 113 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2jca s ILE 114 N -2.42 0.62 0.08 -0.61 1.01 -1.24 -0.68 121.20 117.96 2jca s ILE 114 Ca -0.09 -0.21 0.09 0.00 0.00 0.00 0.00 60.65 60.44 2jca s ILE 114 Cb 0.05 -0.60 -0.03 0.00 0.01 0.00 0.00 42.46 41.89 2jca s ILE 114 CO 0.71 0.23 -0.23 0.00 0.00 0.00 0.00 174.94 175.64 2jca s ALA 115 N 0.60 2.46 0.12 9.38 0.00 -0.03 -1.55 121.76 132.75 2jca s ALA 115 Ca -0.09 -1.31 -0.13 0.00 0.00 0.00 0.00 51.96 50.43 2jca s ALA 115 Cb -0.12 -0.56 0.02 0.00 0.00 0.00 0.00 23.12 22.46 2jca s ALA 115 CO 0.01 0.56 0.33 -1.54 0.00 0.00 0.00 175.76 175.11 2jca s SER 116 N -1.66 -0.08 0.13 0.00 1.04 0.44 -0.22 113.70 113.34 2jca s SER 116 Ca 0.14 -0.51 -0.24 0.00 0.48 0.00 0.00 55.95 55.82 2jca s SER 116 Cb -0.10 0.43 0.07 0.00 0.10 0.00 0.00 66.02 66.52 2jca s SER 116 CO 0.05 -0.84 0.61 0.00 0.98 0.00 0.00 173.24 174.05 2jca s ALA 117 N -3.85 -1.62 -0.00 5.32 0.00 -0.18 -0.82 121.76 120.60 2jca s ALA 117 Ca 0.06 0.60 0.01 0.00 0.00 0.00 0.00 51.96 52.63 2jca s ALA 117 Cb 0.03 0.77 -0.00 0.00 0.00 0.00 0.00 23.12 23.92 2jca s ALA 117 CO -0.09 -0.72 -0.03 0.54 0.00 0.00 0.00 175.76 175.45 2jca s VAL 118 N -3.43 0.28 -0.04 0.00 0.11 -0.70 -1.53 120.40 115.09 2jca s VAL 118 Ca -0.00 -0.14 0.03 0.00 -2.93 0.00 0.00 61.98 58.93 2jca s VAL 118 Cb -0.01 -0.24 0.01 0.00 -1.53 0.00 0.00 36.38 34.60 2jca s VAL 118 CO -0.10 0.08 -0.11 -0.69 -3.33 0.00 0.00 175.10 170.95 2jca s VAL 119 N -0.03 1.02 -0.17 2.04 1.01 0.14 -1.94 120.40 122.47 2jca s VAL 119 Ca 0.01 -0.46 0.00 0.00 0.00 0.00 0.00 61.98 61.53 2jca s VAL 119 Cb -0.02 -0.91 0.00 0.00 0.00 0.00 0.00 36.38 35.45 2jca s VAL 119 CO -0.00 0.32 -0.16 -0.63 0.00 0.00 0.00 175.10 174.62 2jca s ILE 120 N 0.37 2.50 -0.17 2.22 1.01 0.28 -0.44 121.20 126.97 2jca s ILE 120 Ca -0.08 -0.81 -0.08 0.00 0.00 0.00 0.00 60.65 59.68 2jca s ILE 120 Cb -0.12 -2.06 -0.04 0.00 0.01 0.00 0.00 42.46 40.25 2jca s ILE 120 CO 0.02 0.52 0.10 0.00 0.00 0.00 0.00 174.94 175.58 2jca s ALA 121 N 0.99 3.62 0.10 9.38 0.00 -0.29 -0.75 121.76 134.81 2jca s ALA 121 Ca -0.02 -0.70 0.08 0.00 0.00 0.00 0.00 51.96 51.32 2jca s ALA 121 Cb -0.15 -2.02 -0.03 0.00 0.00 0.00 0.00 23.12 20.92 2jca s ALA 121 CO -0.04 0.27 -0.21 -1.21 0.00 0.00 0.00 175.76 174.58 2jca s GLU 122 N 0.05 1.14 0.00 0.00 2.02 -0.52 -0.85 118.70 120.54 2jca s GLU 122 Ca 0.08 -1.14 0.00 0.00 0.02 0.00 0.00 54.97 53.93 2jca s GLU 122 Cb -0.12 -1.39 0.00 0.00 0.10 0.00 0.00 34.13 32.72 2jca s GLU 122 CO -0.00 0.33 0.00 0.41 0.02 0.00 0.00 175.26 176.01