#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2e9j s SER 2 N 0.00 4.23 0.26 1.61 0.01 -1.26 -5.14 113.70 113.41 2e9j s SER 2 Ca 0.00 -0.64 -0.21 0.00 1.31 0.00 0.00 55.95 56.41 2e9j s SER 2 Cb 0.00 -0.69 0.05 0.00 0.21 0.00 0.00 66.02 65.58 2e9j s SER 2 CO 0.00 0.08 0.85 -0.55 0.41 0.00 0.00 173.24 174.03 2e9j s SER 3 N -3.06 -0.13 0.14 2.44 0.15 -1.26 -5.19 113.70 106.79 2e9j s SER 3 Ca 0.27 -0.70 0.01 0.00 0.70 0.00 0.00 55.95 56.23 2e9j s SER 3 Cb -0.08 0.66 0.01 0.00 -1.71 0.00 0.00 66.02 64.90 2e9j s SER 3 CO 0.16 -1.26 0.11 0.61 1.20 0.00 0.00 173.24 174.06 2e9j n GLY 4 N -0.52 1.71 3.85 9.45 0.00 -1.26 -5.14 105.19 113.28 2e9j n GLY 4 Ca -0.05 -2.11 -0.01 0.00 0.00 0.00 0.00 46.02 43.85 2e9j n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2e9j s SER 5 N -1.48 -0.03 0.31 1.61 1.04 -1.26 -5.19 113.70 108.70 2e9j s SER 5 Ca 0.08 -0.41 -0.12 0.00 0.48 0.00 0.00 55.95 55.98 2e9j s SER 5 Cb -0.01 0.34 0.02 0.00 0.10 0.00 0.00 66.02 66.47 2e9j s SER 5 CO 0.05 -0.66 0.59 -0.94 0.98 0.00 0.00 173.24 173.26 2e9j s SER 6 N -3.38 0.18 0.08 7.02 1.04 -1.26 -5.19 113.70 112.19 2e9j s SER 6 Ca 0.21 -1.09 -0.04 0.00 0.48 0.00 0.00 55.95 55.52 2e9j s SER 6 Cb -0.00 0.70 0.01 0.00 0.10 0.00 0.00 66.02 66.82 2e9j s SER 6 CO 0.02 -1.35 0.19 0.61 0.98 0.00 0.00 173.24 173.68 2e9j n GLY 7 N -0.48 1.67 3.43 7.32 0.00 -1.26 -5.19 105.19 110.68 2e9j n GLY 7 Ca -0.03 -1.05 -0.11 0.00 0.00 0.00 0.00 46.02 44.83 2e9j n GLY 7 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2e9j s ARG 8 N -2.02 1.47 -0.09 1.61 1.81 -1.26 -5.16 118.95 115.31 2e9j s ARG 8 Ca 0.04 -1.47 -0.02 0.00 -1.72 0.00 0.00 55.73 52.56 2e9j s ARG 8 Cb -0.01 0.39 0.04 0.00 -0.45 0.00 0.00 34.95 34.92 2e9j s ARG 8 CO 0.02 -0.57 0.03 -1.54 -0.68 0.00 0.00 175.30 172.56 2e9j s SER 9 N -3.11 1.76 1.06 0.23 1.04 -1.26 -5.15 113.70 108.28 2e9j s SER 9 Ca 0.30 -0.21 -0.05 0.00 0.48 0.00 0.00 55.95 56.47 2e9j s SER 9 Cb 0.02 -0.38 0.08 0.00 0.10 0.00 0.00 66.02 65.85 2e9j s SER 9 CO 0.12 -0.24 0.28 -0.81 0.98 0.00 0.00 173.24 173.57 2e9j n PRO 10 N 5.18 -1.57 -3.40 4.02 -0.04 -1.26 -5.10 135.00 132.83 2e9j n PRO 10 Ca -0.06 -0.45 0.02 0.00 -0.04 0.00 0.00 63.50 62.96 2e9j n PRO 10 Cb 0.49 -0.42 -0.03 0.00 -0.04 0.00 0.00 33.50 33.50 2e9j n PRO 10 CO 0.00 0.00 0.00 -0.06 -0.04 0.00 0.00 175.50 175.40 2e9j s PHE 11 N -1.51 -1.20 0.35 0.54 0.08 -1.26 -5.17 117.98 109.81 2e9j s PHE 11 Ca 0.18 1.73 0.00 0.00 0.12 0.00 0.00 56.93 58.96 2e9j s PHE 11 Cb -0.02 0.59 0.00 0.00 -0.57 0.00 0.00 43.02 43.02 2e9j s PHE 11 CO 0.14 -0.62 0.45 1.63 -0.10 0.00 0.00 175.22 176.72 2e9j n LYS 12 N 5.35 0.65 -1.60 0.44 4.01 -1.26 -5.12 118.16 120.62 2e9j n LYS 12 Ca -0.08 -2.94 -0.50 0.00 -0.51 0.00 0.00 58.31 54.29 2e9j n LYS 12 Cb 0.51 2.73 -0.05 0.00 -0.51 0.00 0.00 35.03 37.71 2e9j n LYS 12 CO 0.00 0.00 0.00 0.28 -1.11 0.00 0.00 177.40 176.57 2e9j n VAL 13 N -0.60 0.35 -2.01 -0.18 0.31 -1.26 -4.78 118.33 110.16 2e9j n VAL 13 Ca 0.02 -0.09 -0.26 0.00 -0.01 0.00 0.00 64.34 64.00 2e9j n VAL 13 Cb 0.60 -0.98 -0.06 0.00 -0.91 0.00 0.00 33.84 32.49 2e9j n VAL 13 CO 0.00 0.00 0.00 -0.54 -1.32 0.00 0.00 176.83 174.97 2e9j s LYS 14 N 0.20 2.39 0.24 5.55 1.02 -1.26 -4.89 119.74 122.99 2e9j s LYS 14 Ca 0.79 -0.74 0.06 0.00 0.02 0.00 0.00 55.97 56.10 2e9j s LYS 14 Cb -0.86 -5.14 -0.05 0.00 -0.52 0.00 0.00 37.83 31.25 2e9j s LYS 14 CO 0.47 -3.89 -0.07 0.14 -0.92 0.00 0.00 175.35 171.08 2e9j s VAL 15 N 11.25 1.50 0.40 3.17 -7.23 -1.26 -5.12 120.40 123.12 2e9j s VAL 15 Ca 0.71 -2.12 -0.24 0.00 -1.81 0.00 0.00 61.98 58.52 2e9j s VAL 15 Cb -0.04 -2.28 -0.12 0.00 0.56 0.00 0.00 36.38 34.50 2e9j s VAL 15 CO 0.08 -0.41 0.84 0.18 -0.31 0.00 0.00 175.10 175.48 2e9j n LEU 16 N -0.47 1.52 -4.77 1.32 4.77 -1.26 -4.93 117.00 113.18 2e9j n LEU 16 Ca -0.06 1.01 -0.33 0.00 -0.03 0.00 0.00 56.01 56.59 2e9j n LEU 16 Cb 0.63 -1.25 0.04 0.00 -2.33 0.00 0.00 43.42 40.51 2e9j n LEU 16 CO 0.37 -2.01 0.75 -2.16 -1.33 0.00 0.00 177.39 173.01 2e9j s PRO 17 N -1.80 2.87 0.15 3.23 0.04 -1.26 -4.97 135.00 133.26 2e9j s PRO 17 Ca 0.63 1.41 0.08 0.00 0.04 0.00 0.00 61.00 63.16 2e9j s PRO 17 Cb -0.60 -1.96 -0.13 0.00 0.04 0.00 0.00 34.50 31.86 2e9j s PRO 17 CO 0.57 -1.20 1.33 1.15 0.04 0.00 0.00 177.00 178.89 2e9j h THR 18 N 0.17 1.62 -4.22 1.26 2.02 -1.92 -3.46 112.91 108.39 2e9j h THR 18 Ca -0.47 -3.20 -0.51 0.00 0.77 0.00 0.00 66.41 63.00 2e9j h THR 18 Cb 1.25 2.74 0.10 0.00 -1.74 0.00 0.00 68.15 70.50 2e9j h THR 18 CO 0.54 0.90 0.37 -0.72 0.37 0.00 0.00 175.52 176.98 2e9j s TYR 19 N -2.82 2.65 -0.30 3.16 -0.85 -1.26 -4.07 117.35 113.85 2e9j s TYR 19 Ca 0.01 1.55 -0.10 0.00 -0.52 0.00 0.00 57.07 58.01 2e9j s TYR 19 Cb 0.10 -3.13 0.13 0.00 0.38 0.00 0.00 41.96 39.44 2e9j s TYR 19 CO 0.81 -1.66 0.66 -0.51 -1.52 0.00 0.00 175.55 173.33 2e9j s ASP 20 N -2.75 -1.14 0.08 -0.18 1.01 -1.17 -4.89 116.67 107.63 2e9j s ASP 20 Ca 0.66 1.53 -0.17 0.00 0.71 0.00 0.00 52.55 55.28 2e9j s ASP 20 Cb -0.20 2.29 -0.10 0.00 1.01 0.00 0.00 42.92 45.92 2e9j s ASP 20 CO 0.44 -0.22 1.39 0.00 0.21 0.00 0.00 175.17 176.99 2e9j h ALA 21 N 7.99 0.35 -1.15 5.23 0.00 -1.84 -3.02 119.26 126.83 2e9j h ALA 21 Ca -0.18 -0.38 0.33 0.00 0.00 0.00 0.00 54.91 54.68 2e9j h ALA 21 Cb 1.10 -0.08 -0.05 0.00 0.00 0.00 0.00 17.79 18.77 2e9j h ALA 21 CO 0.10 0.33 0.85 0.66 0.00 0.00 0.00 179.25 181.19 2e9j h SER 22 N 0.30 0.00 -0.50 0.00 4.64 -1.90 0.93 113.55 117.01 2e9j h SER 22 Ca 0.04 0.00 -0.23 0.00 -0.47 0.00 0.00 61.79 61.13 2e9j h SER 22 Cb 0.80 0.00 -0.14 0.00 -0.31 0.00 0.00 62.40 62.75 2e9j h SER 22 CO 0.06 0.00 0.29 0.29 -0.87 0.00 0.00 176.83 176.60 2e9j n LYS 23 N -4.13 1.89 -4.93 4.77 4.76 -1.14 -4.84 118.16 114.54 2e9j n LYS 23 Ca 0.25 -1.61 -0.32 0.00 -2.87 0.00 0.00 58.31 53.75 2e9j n LYS 23 Cb 1.23 -1.67 -0.16 0.00 -1.84 0.00 0.00 35.03 32.58 2e9j n LYS 23 CO 0.00 0.00 0.00 0.08 -1.37 0.00 0.00 177.40 176.11 2e9j s VAL 24 N -1.78 2.40 0.04 -0.18 1.01 0.32 -3.45 120.40 118.75 2e9j s VAL 24 Ca 0.30 -0.89 -0.00 0.00 0.00 0.00 0.00 61.98 61.39 2e9j s VAL 24 Cb 0.25 -1.96 -0.03 0.00 0.00 0.00 0.00 36.38 34.64 2e9j s VAL 24 CO 0.06 0.54 -0.03 0.42 0.00 0.00 0.00 175.10 176.09 2e9j s THR 25 N 0.48 0.21 0.01 3.92 -4.23 -1.23 -4.95 115.64 109.85 2e9j s THR 25 Ca -0.13 -1.47 0.00 0.00 -1.18 0.00 0.00 61.69 58.91 2e9j s THR 25 Cb -0.17 -1.04 -0.01 0.00 1.34 0.00 0.00 72.50 72.62 2e9j s THR 25 CO 0.05 -0.79 -0.02 0.00 -0.54 0.00 0.00 174.62 173.32 2e9j s ALA 26 N -2.93 0.11 -0.07 3.99 0.00 -1.26 -1.58 121.76 120.02 2e9j s ALA 26 Ca -0.02 -0.36 -0.09 0.00 0.00 0.00 0.00 51.96 51.49 2e9j s ALA 26 Cb 0.01 0.08 0.02 0.00 0.00 0.00 0.00 23.12 23.23 2e9j s ALA 26 CO -0.06 -0.08 0.24 -1.12 0.00 0.00 0.00 175.76 174.73 2e9j s SER 27 N -0.86 -0.20 0.00 0.00 0.01 -0.74 -4.99 113.70 106.92 2e9j s SER 27 Ca -0.09 0.32 0.00 0.00 1.31 0.00 0.00 55.95 57.49 2e9j s SER 27 Cb -0.06 0.43 0.00 0.00 0.21 0.00 0.00 66.02 66.60 2e9j s SER 27 CO -0.01 -0.18 0.00 0.61 0.41 0.00 0.00 173.24 174.07 2e9j n GLY 28 N 2.46 -0.43 0.25 3.44 0.00 -1.26 -2.74 105.19 106.90 2e9j n GLY 28 Ca -0.16 -1.63 -0.10 0.00 0.00 0.00 0.00 46.02 44.13 2e9j n GLY 28 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2e9j h PRO 29 N 3.82 0.74 -0.74 1.61 0.13 -1.99 -2.90 132.00 132.68 2e9j h PRO 29 Ca 0.00 -0.39 0.20 0.00 -0.87 0.00 0.00 66.00 64.94 2e9j h PRO 29 Cb 0.00 0.01 -0.04 0.00 0.13 0.00 0.00 31.00 31.11 2e9j h PRO 29 CO 0.00 1.01 0.52 0.78 -0.23 0.00 0.00 178.00 180.07 2e9j h GLY 30 N 0.93 0.21 -1.56 1.56 0.00 -1.88 0.98 103.07 103.31 2e9j h GLY 30 Ca 0.05 -0.05 -0.08 0.00 0.00 0.00 0.00 47.33 47.25 2e9j h GLY 30 CO 0.09 0.01 -0.05 1.04 0.00 0.00 0.00 176.54 177.62 2e9j n LEU 31 N -4.37 3.75 -4.66 3.11 4.77 -1.17 -4.96 117.00 113.47 2e9j n LEU 31 Ca 0.15 -3.38 -0.42 0.00 -0.03 0.00 0.00 56.01 52.32 2e9j n LEU 31 Cb 0.73 -0.57 -0.03 0.00 -2.33 0.00 0.00 43.42 41.22 2e9j n LEU 31 CO 0.36 0.95 1.57 -0.55 -1.33 0.00 0.00 177.39 178.39 2e9j s SER 32 N -2.36 6.46 0.23 -1.43 0.15 0.34 -4.87 113.70 112.21 2e9j s SER 32 Ca 0.42 2.65 -0.01 0.00 0.70 0.00 0.00 55.95 59.71 2e9j s SER 32 Cb 0.36 -2.54 0.24 0.00 -1.71 0.00 0.00 66.02 62.37 2e9j s SER 32 CO 0.04 -1.04 1.60 0.77 1.20 0.00 0.00 173.24 175.81 2e9j h SER 33 N 10.24 0.57 -0.38 5.45 4.64 -1.89 -2.91 113.55 129.28 2e9j h SER 33 Ca -0.48 -0.25 0.02 0.00 -0.47 0.00 0.00 61.79 60.61 2e9j h SER 33 Cb 1.23 -0.16 -0.02 0.00 -0.31 0.00 0.00 62.40 63.14 2e9j h SER 33 CO 0.94 0.91 0.25 1.88 -0.87 0.00 0.00 176.83 179.94 2e9j h TYR 34 N 0.45 0.40 0.00 4.77 0.05 -1.97 -3.45 116.97 117.22 2e9j h TYR 34 Ca 0.04 0.01 0.00 0.00 0.05 0.00 0.00 58.73 58.83 2e9j h TYR 34 Cb 0.89 -0.14 0.00 0.00 1.01 0.00 0.00 36.73 38.49 2e9j h TYR 34 CO 0.03 0.24 0.00 0.41 -1.05 0.00 0.00 178.16 177.80 2e9j n GLY 35 N -1.50 4.45 3.31 3.88 0.00 -1.10 -4.97 105.19 109.26 2e9j n GLY 35 Ca 0.03 -1.37 -0.27 0.00 0.00 0.00 0.00 46.02 44.41 2e9j n GLY 35 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2e9j s VAL 36 N -2.00 1.91 -0.16 1.61 -7.23 -0.67 -4.78 120.40 109.08 2e9j s VAL 36 Ca 0.00 -1.39 -0.29 0.00 -1.81 0.00 0.00 61.98 58.48 2e9j s VAL 36 Cb 0.00 -1.67 -0.03 0.00 0.56 0.00 0.00 36.38 35.24 2e9j s VAL 36 CO 0.00 0.20 1.56 -2.16 -0.31 0.00 0.00 175.10 174.40 2e9j s PRO 37 N -1.43 4.00 0.70 4.82 0.04 -1.26 0.13 135.00 141.99 2e9j s PRO 37 Ca 0.10 1.84 -0.16 0.00 0.04 0.00 0.00 61.00 62.82 2e9j s PRO 37 Cb -0.10 -3.97 0.02 0.00 0.04 0.00 0.00 34.50 30.50 2e9j s PRO 37 CO 0.03 -1.04 1.20 0.00 0.04 0.00 0.00 177.00 177.23 2e9j s ALA 38 N 4.50 2.23 -1.45 8.56 0.00 -0.97 -3.16 121.76 131.48 2e9j s ALA 38 Ca 0.69 0.89 -0.10 0.00 0.00 0.00 0.00 51.96 53.44 2e9j s ALA 38 Cb -0.27 -3.46 0.05 0.00 0.00 0.00 0.00 23.12 19.44 2e9j s ALA 38 CO 0.27 -1.70 0.99 0.45 0.00 0.00 0.00 175.76 175.76 2e9j n SER 39 N -2.48 -4.45 -3.70 0.00 2.88 -0.33 -4.79 113.62 100.74 2e9j n SER 39 Ca 0.13 -0.73 -0.15 0.00 -1.33 0.00 0.00 58.87 56.79 2e9j n SER 39 Cb 0.50 -4.22 -0.15 0.00 -0.75 0.00 0.00 64.21 59.59 2e9j n SER 39 CO 0.00 0.00 0.00 -0.22 -1.23 0.00 0.00 175.04 173.59 2e9j s LEU 40 N -7.16 0.29 -0.68 2.46 1.98 -1.19 -5.03 118.68 109.35 2e9j s LEU 40 Ca 0.51 0.32 -0.26 0.00 -2.89 0.00 0.00 54.13 51.81 2e9j s LEU 40 Cb -0.25 0.32 -0.03 0.00 0.66 0.00 0.00 46.19 46.90 2e9j s LEU 40 CO 0.80 -0.20 1.88 -2.16 -1.89 0.00 0.00 176.35 174.78 2e9j s PRO 41 N 1.77 2.61 0.13 0.98 0.04 -1.26 -4.42 135.00 134.85 2e9j s PRO 41 Ca -0.03 0.41 0.07 0.00 0.04 0.00 0.00 61.00 61.49 2e9j s PRO 41 Cb -0.12 -4.54 -0.04 0.00 0.04 0.00 0.00 34.50 29.84 2e9j s PRO 41 CO -0.06 -2.88 -0.06 0.54 0.04 0.00 0.00 177.00 174.58 2e9j s VAL 42 N 9.32 3.52 0.05 -0.36 0.11 -1.18 -4.92 120.40 126.94 2e9j s VAL 42 Ca 0.68 -1.32 -0.02 0.00 -2.93 0.00 0.00 61.98 58.40 2e9j s VAL 42 Cb -0.11 -2.70 -0.04 0.00 -1.53 0.00 0.00 36.38 32.01 2e9j s VAL 42 CO 0.16 0.03 -0.01 1.51 -3.33 0.00 0.00 175.10 173.45 2e9j s ASP 43 N -2.48 0.45 0.47 3.54 1.47 -1.26 -1.20 116.67 117.66 2e9j s ASP 43 Ca 0.24 -0.95 0.02 0.00 1.18 0.00 0.00 52.55 53.04 2e9j s ASP 43 Cb -0.10 0.21 -0.01 0.00 -0.34 0.00 0.00 42.92 42.67 2e9j s ASP 43 CO 0.16 -0.59 0.08 0.72 0.68 0.00 0.00 175.17 176.21 2e9j s PHE 44 N -3.79 1.78 -0.07 2.11 -0.71 -1.09 -3.51 117.98 112.70 2e9j s PHE 44 Ca 0.06 -1.18 0.03 0.00 -1.04 0.00 0.00 56.93 54.79 2e9j s PHE 44 Cb 0.07 -1.35 0.01 0.00 -1.21 0.00 0.00 43.02 40.54 2e9j s PHE 44 CO -0.10 -0.09 -0.14 0.00 -1.34 0.00 0.00 175.22 173.56 2e9j s ALA 45 N -3.04 1.37 -0.53 1.99 0.00 -1.11 -3.23 121.76 117.20 2e9j s ALA 45 Ca 0.12 -0.48 -0.15 0.00 0.00 0.00 0.00 51.96 51.45 2e9j s ALA 45 Cb 0.01 -0.59 0.13 0.00 0.00 0.00 0.00 23.12 22.67 2e9j s ALA 45 CO 0.08 0.14 0.48 0.42 0.00 0.00 0.00 175.76 176.89 2e9j s ILE 46 N 0.59 5.07 -0.40 0.00 1.01 0.20 -1.78 121.20 125.90 2e9j s ILE 46 Ca -0.15 -1.56 -0.23 0.00 0.00 0.00 0.00 60.65 58.72 2e9j s ILE 46 Cb -0.16 -4.26 0.01 0.00 0.01 0.00 0.00 42.46 38.07 2e9j s ILE 46 CO 0.04 -0.86 0.76 -0.62 0.00 0.00 0.00 174.94 174.26 2e9j s ASP 47 N 3.45 6.47 -0.19 3.58 2.15 -0.62 -2.84 116.67 128.67 2e9j s ASP 47 Ca 0.04 0.12 -0.04 0.00 0.43 0.00 0.00 52.55 53.10 2e9j s ASP 47 Cb -0.29 -2.38 -0.02 0.00 -0.30 0.00 0.00 42.92 39.93 2e9j s ASP 47 CO 0.02 -0.78 -0.03 0.00 -0.17 0.00 0.00 175.17 174.20 2e9j s ALA 48 N 3.10 2.92 -0.19 3.66 0.00 -1.24 -3.58 121.76 126.43 2e9j s ALA 48 Ca 0.29 -0.99 -0.15 0.00 0.00 0.00 0.00 51.96 51.12 2e9j s ALA 48 Cb -0.13 -1.64 -0.08 0.00 0.00 0.00 0.00 23.12 21.27 2e9j s ALA 48 CO 0.19 -0.10 -0.22 0.54 0.00 0.00 0.00 175.76 176.17 2e9j n ARG 49 N 4.15 0.52 -0.69 0.00 1.74 -1.26 -4.68 116.66 116.45 2e9j n ARG 49 Ca -0.18 0.37 0.06 0.00 -0.77 0.00 0.00 57.85 57.33 2e9j n ARG 49 Cb 0.52 -1.57 0.19 0.00 -1.02 0.00 0.00 32.46 30.58 2e9j n ARG 49 CO 0.00 0.00 0.00 -3.47 -1.52 0.00 0.00 177.63 172.64 2e9j n ASP 50 N -4.47 1.64 -0.17 0.55 2.03 -1.26 -4.74 116.55 110.14 2e9j n ASP 50 Ca -0.22 -3.66 0.00 0.00 0.52 0.00 0.00 54.79 51.44 2e9j n ASP 50 Cb 0.53 -0.50 0.00 0.00 -0.72 0.00 0.00 41.12 40.43 2e9j n ASP 50 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2e9j n ALA 51 N -0.93 2.47 -0.34 -1.67 0.00 -1.22 -4.55 120.51 114.27 2e9j n ALA 51 Ca 0.17 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.61 2e9j n ALA 51 Cb 0.74 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 19.19 2e9j n ALA 51 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2e9j n GLY 52 N 0.32 2.91 2.76 0.00 0.00 -1.26 -3.05 105.19 106.88 2e9j n GLY 52 Ca 0.00 0.02 -0.19 0.00 0.00 0.00 0.00 46.02 45.85 2e9j n GLY 52 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2e9j s GLU 53 N 0.00 0.15 0.19 1.61 2.02 -1.26 -4.93 118.70 116.48 2e9j s GLU 53 Ca 0.00 0.25 -0.06 0.00 0.02 0.00 0.00 54.97 55.18 2e9j s GLU 53 Cb 0.00 -1.08 -0.02 0.00 0.10 0.00 0.00 34.13 33.12 2e9j s GLU 53 CO 0.00 -0.58 0.24 0.20 0.02 0.00 0.00 175.26 175.13 2e9j s GLY 54 N 2.30 0.90 -0.41 -1.39 0.00 -1.26 -4.40 107.32 103.06 2e9j s GLY 54 Ca 0.05 -1.26 -0.29 0.00 0.00 0.00 0.00 44.72 43.23 2e9j s GLY 54 CO -0.10 -1.07 1.45 -2.27 0.00 0.00 0.00 173.10 171.10 2e9j s LEU 55 N -3.06 3.58 0.15 0.66 2.96 -1.26 -4.72 118.68 116.98 2e9j s LEU 55 Ca 0.27 0.87 -0.24 0.00 -0.22 0.00 0.00 54.13 54.80 2e9j s LEU 55 Cb 0.04 -3.54 -0.08 0.00 0.50 0.00 0.00 46.19 43.12 2e9j s LEU 55 CO 0.06 -1.46 0.75 -0.22 -1.32 0.00 0.00 176.35 174.16 2e9j s LEU 56 N 5.57 4.58 0.02 -0.68 2.96 -1.26 -2.47 118.68 127.41 2e9j s LEU 56 Ca 0.63 1.58 0.01 0.00 -0.22 0.00 0.00 54.13 56.13 2e9j s LEU 56 Cb -0.14 -3.23 -0.02 0.00 0.50 0.00 0.00 46.19 43.29 2e9j s LEU 56 CO 0.33 0.21 -0.05 0.00 -1.32 0.00 0.00 176.35 175.52 2e9j s ALA 57 N -1.10 0.35 -0.15 5.97 0.00 -0.80 -5.03 121.76 121.01 2e9j s ALA 57 Ca 0.35 -0.56 0.02 0.00 0.00 0.00 0.00 51.96 51.76 2e9j s ALA 57 Cb -0.22 0.05 0.01 0.00 0.00 0.00 0.00 23.12 22.96 2e9j s ALA 57 CO 0.25 -0.05 -0.20 0.08 0.00 0.00 0.00 175.76 175.84 2e9j s VAL 58 N -1.11 2.21 -0.31 0.00 1.01 -1.26 -2.45 120.40 118.50 2e9j s VAL 58 Ca -0.09 -0.92 0.02 0.00 0.00 0.00 0.00 61.98 60.98 2e9j s VAL 58 Cb -0.08 -1.90 0.08 0.00 0.00 0.00 0.00 36.38 34.48 2e9j s VAL 58 CO -0.00 0.54 -0.01 -1.58 0.00 0.00 0.00 175.10 174.05 2e9j s GLN 59 N 0.86 1.97 -0.09 2.72 2.00 -1.09 -5.01 119.66 121.02 2e9j s GLN 59 Ca -0.06 -1.58 0.00 0.00 -2.00 0.00 0.00 55.36 51.73 2e9j s GLN 59 Cb -0.15 -3.12 -0.03 0.00 0.80 0.00 0.00 33.01 30.51 2e9j s GLN 59 CO -0.02 -0.76 -0.07 0.42 -0.50 0.00 0.00 175.29 174.36 2e9j s ILE 60 N 1.05 3.66 0.25 -2.34 1.01 -1.26 -0.16 121.20 123.41 2e9j s ILE 60 Ca 0.01 -0.48 0.01 0.00 0.00 0.00 0.00 60.65 60.18 2e9j s ILE 60 Cb -0.20 -2.52 -0.05 0.00 0.01 0.00 0.00 42.46 39.71 2e9j s ILE 60 CO -0.05 0.57 0.11 0.42 0.00 0.00 0.00 174.94 175.99 2e9j s THR 61 N -0.52 0.41 0.37 2.92 -4.23 -0.99 -3.20 115.64 110.40 2e9j s THR 61 Ca 0.08 -2.00 0.03 0.00 -1.18 0.00 0.00 61.69 58.61 2e9j s THR 61 Cb -0.12 -2.59 0.03 0.00 1.34 0.00 0.00 72.50 71.16 2e9j s THR 61 CO 0.02 0.00 0.22 -0.90 -0.54 0.00 0.00 174.62 173.42 2e9j n ASP 62 N -0.49 2.33 -0.26 3.99 5.75 -1.18 -3.36 116.55 123.33 2e9j n ASP 62 Ca 0.01 -2.33 0.17 0.00 -0.01 0.00 0.00 54.79 52.63 2e9j n ASP 62 Cb 0.66 0.02 0.46 0.00 -1.03 0.00 0.00 41.12 41.24 2e9j n ASP 62 CO 0.00 0.00 0.00 0.06 -0.11 0.00 0.00 177.20 177.15 2e9j h GLN 63 N 0.00 0.49 0.00 0.11 3.07 -1.82 0.20 115.11 117.16 2e9j h GLN 63 Ca -0.25 -0.03 -0.13 0.00 0.09 0.00 0.00 58.65 58.33 2e9j h GLN 63 Cb 0.86 -0.11 -0.02 0.00 0.08 0.00 0.00 27.48 28.29 2e9j h GLN 63 CO 0.39 0.33 -0.80 1.49 0.09 0.00 0.00 178.83 180.33 2e9j h GLU 64 N 0.51 0.00 -0.10 0.06 4.57 -1.95 -3.48 114.58 114.18 2e9j h GLU 64 Ca 0.48 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.66 2e9j h GLU 64 Cb 1.05 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.64 2e9j h GLU 64 CO -0.21 0.50 0.00 0.41 -1.18 0.00 0.00 179.01 178.53 2e9j n GLY 65 N 1.28 1.14 3.92 1.92 0.00 0.69 -5.11 105.19 109.04 2e9j n GLY 65 Ca -0.01 -0.09 -0.26 0.00 0.00 0.00 0.00 46.02 45.66 2e9j n GLY 65 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2e9j s LYS 66 N -0.77 3.35 0.21 1.61 -0.14 -1.26 -4.76 119.74 117.98 2e9j s LYS 66 Ca 0.00 -0.65 -0.30 0.00 -1.36 0.00 0.00 55.97 53.66 2e9j s LYS 66 Cb 0.00 -2.91 -0.09 0.00 -1.68 0.00 0.00 37.83 33.15 2e9j s LYS 66 CO 0.00 0.51 1.29 -1.25 -0.76 0.00 0.00 175.35 175.14 2e9j s PRO 67 N -3.26 4.40 0.17 -1.68 0.04 -1.26 -3.11 135.00 130.29 2e9j s PRO 67 Ca 0.34 2.05 0.11 0.00 0.04 0.00 0.00 61.00 63.53 2e9j s PRO 67 Cb -0.11 -3.19 -0.04 0.00 0.04 0.00 0.00 34.50 31.20 2e9j s PRO 67 CO 0.28 -0.22 -0.23 0.15 0.04 0.00 0.00 177.00 177.02 2e9j s LYS 68 N -0.32 1.56 -0.08 4.56 -0.14 -1.20 -5.00 119.74 119.13 2e9j s LYS 68 Ca 0.55 -1.41 -0.29 0.00 -1.36 0.00 0.00 55.97 53.45 2e9j s LYS 68 Cb -0.36 -1.92 -0.02 0.00 -1.68 0.00 0.00 37.83 33.85 2e9j s LYS 68 CO 0.39 0.43 0.99 0.50 -0.76 0.00 0.00 175.35 176.90 2e9j s ARG 69 N -2.45 4.46 -0.01 1.68 3.52 -1.26 -4.81 118.95 120.08 2e9j s ARG 69 Ca 0.19 1.38 0.02 0.00 -0.13 0.00 0.00 55.73 57.19 2e9j s ARG 69 Cb -0.09 -3.52 -0.01 0.00 -1.56 0.00 0.00 34.95 29.78 2e9j s ARG 69 CO 0.09 -0.23 -0.07 0.00 -0.81 0.00 0.00 175.30 174.28 2e9j s ALA 70 N 1.69 0.59 0.05 6.12 0.00 -1.26 -4.54 121.76 124.41 2e9j s ALA 70 Ca 0.49 -0.30 -0.18 0.00 0.00 0.00 0.00 51.96 51.96 2e9j s ALA 70 Cb -0.19 -0.15 -0.06 0.00 0.00 0.00 0.00 23.12 22.72 2e9j s ALA 70 CO 0.21 0.14 0.52 0.42 0.00 0.00 0.00 175.76 177.05 2e9j s ILE 71 N -0.16 4.82 -0.17 0.00 1.01 -0.52 -4.98 121.20 121.20 2e9j s ILE 71 Ca 0.03 1.11 -0.03 0.00 0.00 0.00 0.00 60.65 61.75 2e9j s ILE 71 Cb -0.03 -3.84 -0.02 0.00 0.01 0.00 0.00 42.46 38.58 2e9j s ILE 71 CO -0.00 0.56 -0.05 0.54 0.00 0.00 0.00 174.94 175.99 2e9j s VAL 72 N -1.10 3.69 -0.13 2.92 0.11 -1.26 -1.93 120.40 122.70 2e9j s VAL 72 Ca 0.27 -0.42 -0.04 0.00 -2.93 0.00 0.00 61.98 58.86 2e9j s VAL 72 Cb -0.19 -2.63 -0.03 0.00 -1.53 0.00 0.00 36.38 32.00 2e9j s VAL 72 CO 0.17 0.47 0.02 -2.28 -3.33 0.00 0.00 175.10 170.15 2e9j s HIS 73 N 0.65 3.17 -0.28 1.54 2.46 0.11 -5.02 115.29 117.92 2e9j s HIS 73 Ca -0.03 0.04 -0.01 0.00 0.47 0.00 0.00 55.06 55.53 2e9j s HIS 73 Cb -0.15 -1.93 0.04 0.00 -0.13 0.00 0.00 32.58 30.42 2e9j s HIS 73 CO 0.02 0.25 -0.03 -0.51 -2.47 0.00 0.00 174.74 172.01 2e9j s ASP 74 N -0.19 4.69 -0.17 9.88 1.01 -1.26 -3.48 116.67 127.15 2e9j s ASP 74 Ca 0.06 -1.18 0.18 0.00 0.71 0.00 0.00 52.55 52.31 2e9j s ASP 74 Cb -0.12 -1.68 -0.25 0.00 1.01 0.00 0.00 42.92 41.87 2e9j s ASP 74 CO 0.02 -0.22 0.12 0.59 0.21 0.00 0.00 175.17 175.89 2e9j n ASN 75 N 4.61 0.14 -3.45 0.27 3.02 -1.26 -5.00 115.26 113.60 2e9j n ASN 75 Ca -0.14 0.00 -0.25 0.00 -0.03 0.00 0.00 54.58 54.16 2e9j n ASN 75 Cb 0.44 1.11 0.04 0.00 -0.61 0.00 0.00 39.78 40.77 2e9j n ASN 75 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 2e9j n LYS 76 N -2.67 -5.71 -0.65 3.52 4.76 -1.26 -4.87 118.16 111.29 2e9j n LYS 76 Ca -0.28 0.75 0.05 0.00 -2.87 0.00 0.00 58.31 55.96 2e9j n LYS 76 Cb 1.07 -5.66 0.10 0.00 -1.84 0.00 0.00 35.03 28.70 2e9j n LYS 76 CO 0.00 0.00 0.00 -0.25 -1.37 0.00 0.00 177.40 175.78 2e9j n ASP 77 N -2.70 1.33 0.00 4.39 8.00 -1.26 -4.96 116.55 121.35 2e9j n ASP 77 Ca -0.03 -2.81 0.00 0.00 0.71 0.00 0.00 54.79 52.66 2e9j n ASP 77 Cb 0.57 -0.38 0.00 0.00 -0.02 0.00 0.00 41.12 41.29 2e9j n ASP 77 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2e9j n GLY 78 N -0.57 3.29 3.80 0.44 0.00 -1.26 -5.03 105.19 105.86 2e9j n GLY 78 Ca 0.11 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.86 2e9j n GLY 78 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2e9j s THR 79 N -2.56 1.82 -0.16 2.61 -4.23 -1.26 -3.65 115.64 108.21 2e9j s THR 79 Ca 0.00 -1.69 -0.14 0.00 -1.18 0.00 0.00 61.69 58.68 2e9j s THR 79 Cb 0.00 -2.51 0.05 0.00 1.34 0.00 0.00 72.50 71.38 2e9j s THR 79 CO 0.00 0.00 0.43 -0.31 -0.54 0.00 0.00 174.62 174.20 2e9j s TYR 80 N -2.72 -0.51 0.08 3.99 2.02 -1.13 -4.27 117.35 114.80 2e9j s TYR 80 Ca 0.31 1.20 0.06 0.00 -0.37 0.00 0.00 57.07 58.26 2e9j s TYR 80 Cb 0.01 0.19 -0.04 0.00 -0.40 0.00 0.00 41.96 41.73 2e9j s TYR 80 CO 0.18 -0.26 -0.08 0.00 -1.57 0.00 0.00 175.55 173.82 2e9j s ALA 81 N 0.52 3.03 -0.08 3.71 0.00 -1.23 -0.62 121.76 127.09 2e9j s ALA 81 Ca -0.02 -1.17 -0.03 0.00 0.00 0.00 0.00 51.96 50.73 2e9j s ALA 81 Cb -0.04 -1.00 0.04 0.00 0.00 0.00 0.00 23.12 22.12 2e9j s ALA 81 CO -0.03 0.65 0.16 0.08 0.00 0.00 0.00 175.76 176.62 2e9j s VAL 82 N -1.18 -0.12 -0.05 0.00 1.01 -1.20 -0.71 120.40 118.15 2e9j s VAL 82 Ca 0.21 0.23 -0.03 0.00 0.00 0.00 0.00 61.98 62.40 2e9j s VAL 82 Cb -0.11 -0.27 -0.04 0.00 0.00 0.00 0.00 36.38 35.96 2e9j s VAL 82 CO 0.13 0.10 0.10 -0.89 0.00 0.00 0.00 175.10 174.54 2e9j s THR 83 N 1.54 4.96 -0.15 3.92 2.01 -0.81 -2.66 115.64 124.46 2e9j s THR 83 Ca -0.05 -0.19 -0.07 0.00 0.31 0.00 0.00 61.69 61.68 2e9j s THR 83 Cb -0.12 -3.22 0.06 0.00 0.01 0.00 0.00 72.50 69.23 2e9j s THR 83 CO -0.06 0.45 0.34 -0.72 -0.69 0.00 0.00 174.62 173.94 2e9j s TYR 84 N -1.12 -0.51 -0.63 4.92 -0.85 -0.34 -1.44 117.35 117.37 2e9j s TYR 84 Ca 0.20 1.10 -0.12 0.00 -0.52 0.00 0.00 57.07 57.73 2e9j s TYR 84 Cb -0.12 0.16 0.16 0.00 0.38 0.00 0.00 41.96 42.54 2e9j s TYR 84 CO 0.10 -0.32 0.55 0.42 -1.52 0.00 0.00 175.55 174.78 2e9j s ILE 85 N 1.62 4.93 -0.49 -3.49 1.01 -1.26 -3.13 121.20 120.39 2e9j s ILE 85 Ca -0.07 -2.08 -0.27 0.00 0.00 0.00 0.00 60.65 58.23 2e9j s ILE 85 Cb -0.10 -4.14 -0.02 0.00 0.01 0.00 0.00 42.46 38.22 2e9j s ILE 85 CO -0.11 -0.90 1.79 -2.16 0.00 0.00 0.00 174.94 173.56 2e9j s PRO 86 N 0.85 2.99 -0.23 2.79 0.04 -1.26 -4.84 135.00 135.34 2e9j s PRO 86 Ca 0.10 0.94 -0.18 0.00 0.04 0.00 0.00 61.00 61.90 2e9j s PRO 86 Cb -0.21 -4.28 -0.15 0.00 0.04 0.00 0.00 34.50 29.90 2e9j s PRO 86 CO -0.03 -2.29 -0.04 -0.25 0.04 0.00 0.00 177.00 174.43 2e9j n ASP 87 N 11.42 1.90 -4.57 6.66 8.00 -1.26 -1.19 116.55 137.52 2e9j n ASP 87 Ca 0.21 0.39 -0.41 0.00 0.71 0.00 0.00 54.79 55.69 2e9j n ASP 87 Cb 0.50 -0.90 -0.03 0.00 -0.02 0.00 0.00 41.12 40.67 2e9j n ASP 87 CO 0.00 0.00 0.00 -0.54 -0.39 0.00 0.00 177.20 176.27 2e9j s LYS 88 N -2.43 3.21 0.61 -1.24 -0.14 -1.26 -4.77 119.74 113.72 2e9j s LYS 88 Ca -0.32 0.41 -0.18 0.00 -1.36 0.00 0.00 55.97 54.51 2e9j s LYS 88 Cb 0.09 -4.16 -0.03 0.00 -1.68 0.00 0.00 37.83 32.05 2e9j s LYS 88 CO 0.53 -2.06 1.21 0.95 -0.76 0.00 0.00 175.35 175.23 2e9j s THR 89 N 6.39 2.58 0.00 2.17 -4.23 -1.26 -4.79 115.64 116.50 2e9j s THR 89 Ca 0.52 0.35 0.00 0.00 -1.18 0.00 0.00 61.69 61.39 2e9j s THR 89 Cb -0.11 -3.11 0.00 0.00 1.34 0.00 0.00 72.50 70.62 2e9j s THR 89 CO 0.23 -0.09 0.00 0.61 -0.54 0.00 0.00 174.62 174.84 2e9j n GLY 90 N 0.50 0.59 3.41 3.99 0.00 -1.26 -4.89 105.19 107.53 2e9j n GLY 90 Ca 0.14 -0.98 -0.35 0.00 0.00 0.00 0.00 46.02 44.82 2e9j n GLY 90 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 2e9j s ARG 91 N 0.00 3.56 -0.15 1.61 1.70 -1.26 -3.63 118.95 120.78 2e9j s ARG 91 Ca 0.00 -0.54 -0.04 0.00 -0.47 0.00 0.00 55.73 54.68 2e9j s ARG 91 Cb 0.00 -3.12 -0.03 0.00 -0.57 0.00 0.00 34.95 31.23 2e9j s ARG 91 CO 0.00 -0.10 -0.01 0.71 -1.08 0.00 0.00 175.30 174.82 2e9j s TYR 92 N 1.30 3.10 -0.25 5.89 2.02 0.85 -2.51 117.35 127.75 2e9j s TYR 92 Ca 0.04 -0.12 0.02 0.00 -0.37 0.00 0.00 57.07 56.64 2e9j s TYR 92 Cb -0.15 -1.95 0.06 0.00 -0.40 0.00 0.00 41.96 39.52 2e9j s TYR 92 CO 0.01 0.10 -0.11 1.41 -1.57 0.00 0.00 175.55 175.39 2e9j s MET 93 N 0.12 2.17 -0.24 -0.62 1.75 -1.21 -1.15 119.30 120.13 2e9j s MET 93 Ca 0.01 -1.23 -0.06 0.00 -1.25 0.00 0.00 55.69 53.15 2e9j s MET 93 Cb -0.13 -2.80 -0.02 0.00 2.84 0.00 0.00 34.83 34.72 2e9j s MET 93 CO 0.02 -0.55 0.04 0.42 -0.65 0.00 0.00 175.02 174.31 2e9j s ILE 94 N 1.18 4.10 -0.39 10.11 1.01 -0.37 -2.34 121.20 134.49 2e9j s ILE 94 Ca -0.07 -0.24 -0.04 0.00 0.00 0.00 0.00 60.65 60.29 2e9j s ILE 94 Cb -0.19 -2.90 0.09 0.00 0.01 0.00 0.00 42.46 39.47 2e9j s ILE 94 CO -0.06 0.37 0.17 -0.83 0.00 0.00 0.00 174.94 174.59 2e9j s GLY 95 N 1.50 1.94 0.11 6.18 0.00 0.77 0.60 107.32 118.42 2e9j s GLY 95 Ca 0.06 -2.32 -0.25 0.00 0.00 0.00 0.00 44.72 42.21 2e9j s GLY 95 CO 0.02 0.95 0.75 0.14 0.00 0.00 0.00 173.10 174.96 2e9j s VAL 96 N 1.21 4.55 0.04 1.40 1.01 -1.26 -2.67 120.40 124.68 2e9j s VAL 96 Ca 0.05 1.62 0.06 0.00 0.00 0.00 0.00 61.98 63.71 2e9j s VAL 96 Cb -0.22 -4.10 -0.02 0.00 0.00 0.00 0.00 36.38 32.03 2e9j s VAL 96 CO -0.02 0.47 -0.16 0.42 0.00 0.00 0.00 175.10 175.80 2e9j s THR 97 N -0.72 1.30 -0.12 3.92 -4.23 -1.02 -3.30 115.64 111.47 2e9j s THR 97 Ca 0.36 -1.06 -0.02 0.00 -1.18 0.00 0.00 61.69 59.79 2e9j s THR 97 Cb -0.22 -1.16 0.04 0.00 1.34 0.00 0.00 72.50 72.51 2e9j s THR 97 CO 0.24 0.08 0.01 -0.47 -0.54 0.00 0.00 174.62 173.94 2e9j s TYR 98 N -0.82 0.80 -1.25 3.99 5.04 0.52 -1.91 117.35 123.73 2e9j s TYR 98 Ca 0.04 -0.43 -0.01 0.00 -2.44 0.00 0.00 57.07 54.23 2e9j s TYR 98 Cb -0.08 -0.89 0.00 0.00 0.35 0.00 0.00 41.96 41.34 2e9j s TYR 98 CO 0.01 -0.44 0.92 0.41 -1.34 0.00 0.00 175.55 175.11 2e9j n GLY 99 N 5.11 -0.35 2.62 8.97 0.00 -1.03 -2.04 105.19 118.47 2e9j n GLY 99 Ca -0.08 0.12 -0.21 0.00 0.00 0.00 0.00 46.02 45.85 2e9j n GLY 99 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2e9j n GLY 100 N -1.31 -0.46 3.18 -0.02 0.00 -1.26 -4.98 105.19 100.34 2e9j n GLY 100 Ca -0.27 0.01 -0.09 0.00 0.00 0.00 0.00 46.02 45.66 2e9j n GLY 100 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2e9j s ASP 101 N -2.35 -0.09 0.40 1.61 1.01 -0.86 -5.15 116.67 111.23 2e9j s ASP 101 Ca 0.12 0.85 -0.23 0.00 0.71 0.00 0.00 52.55 53.99 2e9j s ASP 101 Cb -0.05 1.21 -0.09 0.00 1.01 0.00 0.00 42.92 44.99 2e9j s ASP 101 CO 0.15 -0.24 1.02 -1.81 0.21 0.00 0.00 175.17 174.49 2e9j s ASP 102 N 2.57 6.82 0.67 0.27 1.11 -1.26 -0.35 116.67 126.50 2e9j s ASP 102 Ca 0.00 1.94 -0.13 0.00 0.18 0.00 0.00 52.55 54.54 2e9j s ASP 102 Cb -0.12 -2.57 0.00 0.00 1.07 0.00 0.00 42.92 41.29 2e9j s ASP 102 CO -0.12 -0.44 1.08 0.27 1.18 0.00 0.00 175.17 177.13 2e9j s ILE 103 N -1.77 3.62 -2.00 0.77 -4.36 -1.21 -4.82 121.20 111.45 2e9j s ILE 103 Ca 0.58 0.66 0.10 0.00 -0.26 0.00 0.00 60.65 61.73 2e9j s ILE 103 Cb -0.19 -3.23 0.27 0.00 1.25 0.00 0.00 42.46 40.57 2e9j s ILE 103 CO 0.24 -0.56 1.01 -0.81 0.24 0.00 0.00 174.94 175.06 2e9j n PRO 104 N -2.65 0.49 -0.03 0.37 -0.04 -1.26 -2.06 135.00 129.82 2e9j n PRO 104 Ca 0.09 0.00 0.03 0.00 -0.04 0.00 0.00 63.50 63.58 2e9j n PRO 104 Cb 0.53 -1.31 -0.13 0.00 -0.04 0.00 0.00 33.50 32.55 2e9j n PRO 104 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 2e9j n LEU 105 N -0.81 0.00 -4.84 1.53 7.99 -1.26 -4.99 117.00 114.63 2e9j n LEU 105 Ca 0.07 0.00 -0.32 0.00 -0.01 0.00 0.00 56.01 55.75 2e9j n LEU 105 Cb 0.03 0.13 -0.04 0.00 -0.11 0.00 0.00 43.42 43.43 2e9j n LEU 105 CO 0.05 0.13 0.67 -0.94 -1.51 0.00 0.00 177.39 175.79 2e9j s SER 106 N -4.32 6.67 1.25 -1.43 1.04 -0.87 -4.39 113.70 111.64 2e9j s SER 106 Ca -0.07 1.57 -0.20 0.00 0.48 0.00 0.00 55.95 57.73 2e9j s SER 106 Cb 0.09 -2.51 0.30 0.00 0.10 0.00 0.00 66.02 64.00 2e9j s SER 106 CO 0.70 -0.55 1.07 -0.81 0.98 0.00 0.00 173.24 174.63 2e9j n PRO 107 N -1.43 -3.14 -4.02 4.02 -0.04 -1.26 -4.91 135.00 124.22 2e9j n PRO 107 Ca 0.06 -1.71 -0.33 0.00 -0.04 0.00 0.00 63.50 61.48 2e9j n PRO 107 Cb 0.54 -1.61 -0.15 0.00 -0.04 0.00 0.00 33.50 32.24 2e9j n PRO 107 CO 0.00 0.00 0.00 0.71 -0.04 0.00 0.00 175.50 176.17 2e9j s TYR 108 N -2.93 3.15 0.00 0.54 2.02 0.20 -4.91 117.35 115.42 2e9j s TYR 108 Ca 0.70 -1.96 -0.25 0.00 -0.37 0.00 0.00 57.07 55.18 2e9j s TYR 108 Cb -0.07 -1.99 -0.05 0.00 -0.40 0.00 0.00 41.96 39.45 2e9j s TYR 108 CO 0.54 -0.82 0.76 -0.98 -1.57 0.00 0.00 175.55 173.47 2e9j s ARG 109 N 1.21 4.48 0.14 -0.62 1.70 -1.26 -1.24 118.95 123.36 2e9j s ARG 109 Ca -0.04 1.03 -0.17 0.00 -0.47 0.00 0.00 55.73 56.07 2e9j s ARG 109 Cb -0.18 -3.40 0.04 0.00 -0.57 0.00 0.00 34.95 30.84 2e9j s ARG 109 CO -0.05 0.19 0.45 0.42 -1.08 0.00 0.00 175.30 175.23 2e9j s ILE 110 N 0.30 0.05 -0.04 4.99 1.01 -0.30 -4.88 121.20 122.33 2e9j s ILE 110 Ca 0.39 -0.54 0.01 0.00 0.00 0.00 0.00 60.65 60.51 2e9j s ILE 110 Cb -0.20 -1.23 0.02 0.00 0.01 0.00 0.00 42.46 41.06 2e9j s ILE 110 CO 0.22 -0.23 -0.05 -0.60 0.00 0.00 0.00 174.94 174.27 2e9j s ARG 111 N -3.81 0.87 -0.74 2.79 3.52 -1.26 -0.10 118.95 120.21 2e9j s ARG 111 Ca 0.04 -0.15 -0.23 0.00 -0.13 0.00 0.00 55.73 55.25 2e9j s ARG 111 Cb 0.01 -0.84 0.06 0.00 -1.56 0.00 0.00 34.95 32.62 2e9j s ARG 111 CO -0.10 -0.04 1.11 0.00 -0.81 0.00 0.00 175.30 175.46 2e9j s ALA 112 N 0.74 3.00 -0.39 6.12 0.00 -1.24 -1.68 121.76 128.31 2e9j s ALA 112 Ca -0.10 -1.84 -0.27 0.00 0.00 0.00 0.00 51.96 49.75 2e9j s ALA 112 Cb -0.13 -4.05 -0.06 0.00 0.00 0.00 0.00 23.12 18.88 2e9j s ALA 112 CO 0.01 -3.01 2.35 0.25 0.00 0.00 0.00 175.76 175.36 2e9j n THR 113 N 6.09 0.07 -1.83 0.00 -2.24 0.34 -4.47 114.28 112.23 2e9j n THR 113 Ca 0.04 -0.68 -0.40 0.00 -2.27 0.00 0.00 64.05 60.74 2e9j n THR 113 Cb 0.47 -2.72 0.01 0.00 -2.10 0.00 0.00 70.33 66.00 2e9j n THR 113 CO 0.00 0.00 0.00 -1.58 -0.57 0.00 0.00 175.07 172.92 2e9j s GLN 114 N 7.60 3.81 0.11 -0.78 0.74 -1.26 -2.30 119.66 127.58 2e9j s GLN 114 Ca 0.99 2.42 0.00 0.00 0.05 0.00 0.00 55.36 58.82 2e9j s GLN 114 Cb -0.24 -2.73 0.00 0.00 1.10 0.00 0.00 33.01 31.14 2e9j s GLN 114 CO 0.29 -0.72 0.00 0.25 -0.55 0.00 0.00 175.29 174.56 2e9j n THR 115 N -0.02 0.66 0.00 -0.34 -2.24 -1.26 -4.93 114.28 106.16 2e9j n THR 115 Ca 0.04 0.22 0.00 0.00 -2.27 0.00 0.00 64.05 62.04 2e9j n THR 115 Cb 0.41 -1.28 0.00 0.00 -2.10 0.00 0.00 70.33 67.36 2e9j n THR 115 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2e9j n GLY 116 N 2.87 3.26 3.57 3.38 0.00 -1.26 -5.17 105.19 111.84 2e9j n GLY 116 Ca 0.00 -0.63 -0.12 0.00 0.00 0.00 0.00 46.02 45.28 2e9j n GLY 116 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2e9j s ASP 117 N 0.00 -0.74 0.17 1.61 -1.08 -1.26 -5.04 116.67 110.33 2e9j s ASP 117 Ca 0.00 1.35 -0.23 0.00 -0.52 0.00 0.00 52.55 53.15 2e9j s ASP 117 Cb 0.00 1.32 0.08 0.00 -1.46 0.00 0.00 42.92 42.86 2e9j s ASP 117 CO 0.00 -0.23 1.03 0.00 0.52 0.00 0.00 175.17 176.49 2e9j s ALA 118 N 0.73 -1.63 -2.00 3.66 0.00 -1.26 -5.29 121.76 115.97 2e9j s ALA 118 Ca -0.03 -0.19 0.09 0.00 0.00 0.00 0.00 51.96 51.83 2e9j s ALA 118 Cb -0.05 0.72 0.56 0.00 0.00 0.00 0.00 23.12 24.34 2e9j s ALA 118 CO -0.05 -1.06 1.01 -1.13 0.00 0.00 0.00 175.76 174.52