#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 4.85 0.29 1.61 0.15 -1.26 -5.08 113.70 114.26 2e9j s SER 2 Ca 0.00 -1.81 -0.04 0.00 0.70 0.00 0.00 55.95 54.81 2e9j s SER 2 Cb 0.00 -1.68 -0.01 0.00 -1.71 0.00 0.00 66.02 62.62 2e9j s SER 2 CO 0.00 -0.36 0.39 -0.55 1.20 0.00 0.00 173.24 173.92 2e9j s SER 3 N 1.23 0.62 0.00 5.45 0.15 -1.26 -5.18 113.70 114.71 2e9j s SER 3 Ca 0.03 -1.37 0.00 0.00 0.70 0.00 0.00 55.95 55.31 2e9j s SER 3 Cb -0.20 0.58 0.00 0.00 -1.71 0.00 0.00 66.02 64.69 2e9j s SER 3 CO -0.05 -1.15 0.00 0.61 1.20 0.00 0.00 173.24 173.84 2e9j n GLY 4 N -0.47 2.74 3.61 9.45 0.00 -1.26 -5.18 105.19 114.07 2e9j n GLY 4 Ca 0.01 -0.60 -0.13 0.00 0.00 0.00 0.00 46.02 45.30 2e9j n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2e9j s SER 5 N 0.00 -0.63 0.33 1.61 0.15 -1.26 -5.18 113.70 108.72 2e9j s SER 5 Ca 0.00 1.10 0.04 0.00 0.70 0.00 0.00 55.95 57.78 2e9j s SER 5 Cb 0.00 1.07 -0.03 0.00 -1.71 0.00 0.00 66.02 65.34 2e9j s SER 5 CO 0.00 -0.30 0.16 -0.55 1.20 0.00 0.00 173.24 173.75 2e9j s SER 6 N -0.06 1.88 0.16 5.45 0.15 -1.26 -5.17 113.70 114.85 2e9j s SER 6 Ca -0.01 -1.60 0.11 0.00 0.70 0.00 0.00 55.95 55.14 2e9j s SER 6 Cb -0.04 0.41 -0.04 0.00 -1.71 0.00 0.00 66.02 64.65 2e9j s SER 6 CO 0.01 -0.91 -0.25 -0.83 1.20 0.00 0.00 173.24 172.47 2e9j s GLY 7 N -3.43 1.62 -0.73 9.45 0.00 -1.26 -5.09 107.32 107.87 2e9j s GLY 7 Ca 0.33 -1.54 -0.01 0.00 0.00 0.00 0.00 44.72 43.50 2e9j s GLY 7 CO 0.18 -1.55 0.56 -1.60 0.00 0.00 0.00 173.10 170.69 2e9j s ARG 8 N -2.40 2.80 0.91 2.90 3.52 -1.26 -5.08 118.95 120.34 2e9j s ARG 8 Ca 0.17 -2.90 -0.15 0.00 -0.13 0.00 0.00 55.73 52.72 2e9j s ARG 8 Cb -0.09 -3.77 -0.04 0.00 -1.56 0.00 0.00 34.95 29.50 2e9j s ARG 8 CO 0.08 -1.22 0.04 0.43 -0.81 0.00 0.00 175.30 173.82 2e9j n SER 9 N 2.88 -3.20 0.24 -2.12 7.64 -1.26 -4.86 113.62 112.94 2e9j n SER 9 Ca 0.14 0.34 0.12 0.00 1.01 0.00 0.00 58.87 60.48 2e9j n SER 9 Cb 0.37 -1.06 0.56 0.00 -1.01 0.00 0.00 64.21 63.07 2e9j n SER 9 CO 0.00 0.00 0.00 1.55 -3.01 0.00 0.00 175.04 173.58 2e9j h PRO 10 N -1.15 0.00 -6.90 1.43 0.13 -2.07 -3.46 132.00 119.98 2e9j h PRO 10 Ca -0.44 0.00 -0.58 0.00 -0.87 0.00 0.00 66.00 64.11 2e9j h PRO 10 Cb 1.30 0.00 -0.24 0.00 0.13 0.00 0.00 31.00 32.19 2e9j h PRO 10 CO 0.32 0.16 -0.88 1.19 -0.23 0.00 0.00 178.00 178.57 2e9j n PHE 11 N -3.38 -1.49 -2.69 1.56 3.01 -1.26 -4.84 117.46 108.37 2e9j n PHE 11 Ca -0.00 0.73 -0.42 0.00 1.01 0.00 0.00 57.45 58.77 2e9j n PHE 11 Cb 0.37 -2.71 0.01 0.00 -0.01 0.00 0.00 39.48 37.14 2e9j n PHE 11 CO 0.00 0.00 0.00 1.63 1.01 0.00 0.00 176.76 179.40 2e9j n LYS 12 N -4.32 4.80 -4.30 -1.08 4.76 -1.26 -4.96 118.16 111.80 2e9j n LYS 12 Ca -0.02 -4.38 -0.18 0.00 -2.87 0.00 0.00 58.31 50.86 2e9j n LYS 12 Cb 0.53 -2.55 -0.14 0.00 -1.84 0.00 0.00 35.03 31.03 2e9j n LYS 12 CO 0.00 0.00 0.00 0.08 -1.37 0.00 0.00 177.40 176.11 2e9j s VAL 13 N -2.92 0.72 -0.39 -0.18 1.01 -1.26 -5.06 120.40 112.32 2e9j s VAL 13 Ca 0.37 -0.54 0.12 0.00 0.00 0.00 0.00 61.98 61.93 2e9j s VAL 13 Cb 0.12 -0.63 0.42 0.00 0.00 0.00 0.00 36.38 36.29 2e9j s VAL 13 CO -0.02 0.09 0.96 0.29 0.00 0.00 0.00 175.10 176.43 2e9j n LYS 14 N 2.56 1.97 -4.25 2.72 5.02 -1.26 -5.07 118.16 119.84 2e9j n LYS 14 Ca -0.15 -3.78 -0.17 0.00 -2.02 0.00 0.00 58.31 52.18 2e9j n LYS 14 Cb 0.56 -1.70 -0.13 0.00 -0.02 0.00 0.00 35.03 33.74 2e9j n LYS 14 CO 0.00 0.00 0.00 0.14 -0.52 0.00 0.00 177.40 177.02 2e9j s VAL 15 N -3.84 0.77 0.45 -0.18 -7.23 -1.26 -5.13 120.40 103.98 2e9j s VAL 15 Ca 0.37 -0.75 -0.24 0.00 -1.81 0.00 0.00 61.98 59.55 2e9j s VAL 15 Cb 0.41 -0.71 -0.09 0.00 0.56 0.00 0.00 36.38 36.55 2e9j s VAL 15 CO -0.06 -0.03 1.20 0.18 -0.31 0.00 0.00 175.10 176.08 2e9j n LEU 16 N 2.18 3.84 -4.76 1.32 4.77 -1.26 -4.96 117.00 118.13 2e9j n LEU 16 Ca -0.17 1.06 -0.31 0.00 -0.03 0.00 0.00 56.01 56.56 2e9j n LEU 16 Cb 0.56 -1.47 0.10 0.00 -2.33 0.00 0.00 43.42 40.28 2e9j n LEU 16 CO 0.23 -0.92 0.70 -2.16 -1.33 0.00 0.00 177.39 173.91 2e9j s PRO 17 N -2.27 2.14 0.08 3.23 0.04 -1.26 -4.98 135.00 131.97 2e9j s PRO 17 Ca 0.64 1.13 0.16 0.00 0.04 0.00 0.00 61.00 62.97 2e9j s PRO 17 Cb -0.50 -1.89 -0.12 0.00 0.04 0.00 0.00 34.50 32.03 2e9j s PRO 17 CO 0.56 -1.71 0.88 1.15 0.04 0.00 0.00 177.00 177.92 2e9j h THR 18 N -1.18 0.57 -4.06 1.26 2.02 -1.93 -3.47 112.91 106.13 2e9j h THR 18 Ca -0.44 -2.07 -0.51 0.00 0.77 0.00 0.00 66.41 64.15 2e9j h THR 18 Cb 1.24 2.10 0.08 0.00 -1.74 0.00 0.00 68.15 69.83 2e9j h THR 18 CO 0.52 0.32 0.48 -0.72 0.37 0.00 0.00 175.52 176.49 2e9j s TYR 19 N -2.91 2.64 -0.22 3.16 -0.85 -1.26 -3.73 117.35 114.18 2e9j s TYR 19 Ca -0.02 1.52 -0.03 0.00 -0.52 0.00 0.00 57.07 58.01 2e9j s TYR 19 Cb 0.09 -3.42 0.11 0.00 0.38 0.00 0.00 41.96 39.12 2e9j s TYR 19 CO 0.81 -1.83 0.31 -0.51 -1.52 0.00 0.00 175.55 172.81 2e9j s ASP 20 N -1.51 0.66 0.13 -0.18 1.01 -0.91 -4.84 116.67 111.02 2e9j s ASP 20 Ca 0.71 0.10 -0.16 0.00 0.71 0.00 0.00 52.55 53.91 2e9j s ASP 20 Cb -0.29 0.83 -0.02 0.00 1.01 0.00 0.00 42.92 44.46 2e9j s ASP 20 CO 0.33 -0.30 1.62 0.00 0.21 0.00 0.00 175.17 177.03 2e9j h ALA 21 N 8.24 0.52 -0.91 5.23 0.00 -1.84 -2.70 119.26 127.79 2e9j h ALA 21 Ca -0.18 -0.19 0.23 0.00 0.00 0.00 0.00 54.91 54.77 2e9j h ALA 21 Cb 1.15 -0.15 -0.06 0.00 0.00 0.00 0.00 17.79 18.74 2e9j h ALA 21 CO 0.26 0.19 0.62 0.66 0.00 0.00 0.00 179.25 180.99 2e9j h SER 22 N 0.49 0.24 -0.38 0.00 4.64 -1.89 0.21 113.55 116.86 2e9j h SER 22 Ca 0.12 0.03 -0.22 0.00 -0.47 0.00 0.00 61.79 61.25 2e9j h SER 22 Cb 0.31 -0.01 -0.11 0.00 -0.31 0.00 0.00 62.40 62.28 2e9j h SER 22 CO 0.00 0.09 0.29 0.29 -0.87 0.00 0.00 176.83 176.63 2e9j n LYS 23 N -4.42 1.55 -4.72 4.77 4.76 -1.02 -4.82 118.16 114.25 2e9j n LYS 23 Ca 0.20 -1.18 -0.31 0.00 -2.87 0.00 0.00 58.31 54.14 2e9j n LYS 23 Cb 0.82 -1.46 -0.17 0.00 -1.84 0.00 0.00 35.03 32.38 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 -1.52 1.87 0.02 -0.18 1.01 0.72 -3.52 120.40 118.81 2e9j s VAL 24 Ca 0.23 -0.88 0.00 0.00 0.00 0.00 0.00 61.98 61.33 2e9j s VAL 24 Cb 0.19 -1.66 -0.02 0.00 0.00 0.00 0.00 36.38 34.89 2e9j s VAL 24 CO 0.02 0.52 -0.03 0.42 0.00 0.00 0.00 175.10 176.02 2e9j s THR 25 N 0.76 0.13 0.06 3.92 -4.23 -1.25 -4.98 115.64 110.05 2e9j s THR 25 Ca -0.10 -0.83 0.04 0.00 -1.18 0.00 0.00 61.69 59.62 2e9j s THR 25 Cb -0.16 -0.26 -0.03 0.00 1.34 0.00 0.00 72.50 73.39 2e9j s THR 25 CO 0.01 -0.44 -0.12 0.00 -0.54 0.00 0.00 174.62 173.53 2e9j s ALA 26 N -1.30 0.96 -0.03 3.99 0.00 -1.26 -2.02 121.76 122.10 2e9j s ALA 26 Ca -0.14 -0.89 -0.14 0.00 0.00 0.00 0.00 51.96 50.79 2e9j s ALA 26 Cb -0.09 -0.06 0.02 0.00 0.00 0.00 0.00 23.12 22.99 2e9j s ALA 26 CO -0.01 0.11 0.30 -1.12 0.00 0.00 0.00 175.76 175.05 2e9j s SER 27 N -1.60 -0.20 0.00 0.00 0.01 -1.00 -5.01 113.70 105.91 2e9j s SER 27 Ca -0.04 0.15 0.00 0.00 1.31 0.00 0.00 55.95 57.36 2e9j s SER 27 Cb -0.10 0.35 0.00 0.00 0.21 0.00 0.00 66.02 66.49 2e9j s SER 27 CO 0.02 -0.40 0.00 0.61 0.41 0.00 0.00 173.24 173.87 2e9j n GLY 28 N 1.49 0.48 0.22 3.44 0.00 -1.26 -2.73 105.19 106.83 2e9j n GLY 28 Ca -0.21 -1.81 -0.07 0.00 0.00 0.00 0.00 46.02 43.93 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 5.96 0.54 -0.64 1.61 0.13 -1.99 -2.96 132.00 134.66 2e9j h PRO 29 Ca 0.00 -0.29 0.19 0.00 -0.87 0.00 0.00 66.00 65.03 2e9j h PRO 29 Cb 0.00 0.01 -0.03 0.00 0.13 0.00 0.00 31.00 31.11 2e9j h PRO 29 CO 0.00 0.87 0.47 0.78 -0.23 0.00 0.00 178.00 179.89 2e9j h GLY 30 N 1.07 0.00 -1.19 1.56 0.00 -1.89 0.21 103.07 102.83 2e9j h GLY 30 Ca 0.03 0.00 -0.06 0.00 0.00 0.00 0.00 47.33 47.31 2e9j h GLY 30 CO 0.08 0.00 -0.25 1.04 0.00 0.00 0.00 176.54 177.41 2e9j n LEU 31 N -4.30 3.17 -4.66 3.11 4.77 -1.16 -4.97 117.00 112.96 2e9j n LEU 31 Ca 0.12 -3.66 -0.42 0.00 -0.03 0.00 0.00 56.01 52.02 2e9j n LEU 31 Cb 0.72 -0.55 -0.03 0.00 -2.33 0.00 0.00 43.42 41.23 2e9j n LEU 31 CO 0.37 1.19 1.51 -0.55 -1.33 0.00 0.00 177.39 178.58 2e9j s SER 32 N -2.86 6.52 0.26 -1.43 0.15 0.06 -4.88 113.70 111.51 2e9j s SER 32 Ca 0.39 2.55 -0.02 0.00 0.70 0.00 0.00 55.95 59.57 2e9j s SER 32 Cb 0.36 -2.54 0.32 0.00 -1.71 0.00 0.00 66.02 62.46 2e9j s SER 32 CO -0.02 -1.01 1.74 0.77 1.20 0.00 0.00 173.24 175.92 2e9j h SER 33 N 10.03 0.73 -0.19 5.45 4.64 -1.89 -2.57 113.55 129.74 2e9j h SER 33 Ca -0.46 -0.20 -0.00 0.00 -0.47 0.00 0.00 61.79 60.66 2e9j h SER 33 Cb 1.22 -0.20 -0.01 0.00 -0.31 0.00 0.00 62.40 63.10 2e9j h SER 33 CO 0.94 0.84 0.12 1.88 -0.87 0.00 0.00 176.83 179.75 2e9j h TYR 34 N 0.69 0.25 0.00 4.77 0.05 -1.96 -3.45 116.97 117.32 2e9j h TYR 34 Ca 0.13 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.91 2e9j h TYR 34 Cb 0.52 -0.09 0.00 0.00 1.01 0.00 0.00 36.73 38.17 2e9j h TYR 34 CO 0.03 0.17 0.00 0.41 -1.05 0.00 0.00 178.16 177.72 2e9j n GLY 35 N -1.48 4.26 3.51 3.88 0.00 -0.97 -4.96 105.19 109.44 2e9j n GLY 35 Ca -0.00 -1.46 -0.28 0.00 0.00 0.00 0.00 46.02 44.28 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 -2.10 2.90 0.06 1.61 -7.23 -0.92 -4.80 120.40 109.92 2e9j s VAL 36 Ca 0.00 -1.65 -0.31 0.00 -1.81 0.00 0.00 61.98 58.21 2e9j s VAL 36 Cb 0.00 -2.38 -0.07 0.00 0.56 0.00 0.00 36.38 34.49 2e9j s VAL 36 CO 0.00 -0.02 1.40 -2.16 -0.31 0.00 0.00 175.10 174.01 2e9j s PRO 37 N -2.49 4.31 0.34 4.82 0.04 -1.26 -0.88 135.00 139.87 2e9j s PRO 37 Ca 0.21 2.03 -0.27 0.00 0.04 0.00 0.00 61.00 63.01 2e9j s PRO 37 Cb -0.09 -3.40 -0.09 0.00 0.04 0.00 0.00 34.50 30.95 2e9j s PRO 37 CO 0.12 -0.50 1.11 0.00 0.04 0.00 0.00 177.00 177.78 2e9j s ALA 38 N 1.70 3.28 -1.63 8.56 0.00 -1.25 -3.07 121.76 129.34 2e9j s ALA 38 Ca 0.64 0.88 0.00 0.00 0.00 0.00 0.00 51.96 53.49 2e9j s ALA 38 Cb -0.34 -3.33 0.00 0.00 0.00 0.00 0.00 23.12 19.44 2e9j s ALA 38 CO 0.29 -0.28 0.00 0.43 0.00 0.00 0.00 175.76 176.20 2e9j n SER 39 N 0.61 -5.27 -4.13 0.00 7.64 -0.67 -4.99 113.62 106.80 2e9j n SER 39 Ca 0.02 0.08 -0.28 0.00 1.01 0.00 0.00 58.87 59.70 2e9j n SER 39 Cb 0.46 -4.35 -0.17 0.00 -1.01 0.00 0.00 64.21 59.15 2e9j n SER 39 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 2e9j s LEU 40 N -5.01 1.89 -0.66 -3.43 2.01 -1.18 -4.98 118.68 107.32 2e9j s LEU 40 Ca 0.00 -0.41 -0.26 0.00 0.01 0.00 0.00 54.13 53.47 2e9j s LEU 40 Cb 0.00 -1.08 -0.03 0.00 0.01 0.00 0.00 46.19 45.09 2e9j s LEU 40 CO 0.00 0.12 1.88 -2.16 1.01 0.00 0.00 176.35 177.20 2e9j s PRO 41 N 0.31 2.61 0.03 1.29 0.04 -1.26 -4.38 135.00 133.64 2e9j s PRO 41 Ca -0.12 0.48 0.03 0.00 0.04 0.00 0.00 61.00 61.43 2e9j s PRO 41 Cb -0.15 -4.49 -0.04 0.00 0.04 0.00 0.00 34.50 29.86 2e9j s PRO 41 CO 0.05 -2.84 -0.03 0.54 0.04 0.00 0.00 177.00 174.76 2e9j s VAL 42 N 9.25 3.89 -0.03 -0.36 0.11 -1.10 -4.93 120.40 127.24 2e9j s VAL 42 Ca 0.68 -0.81 -0.05 0.00 -2.93 0.00 0.00 61.98 58.87 2e9j s VAL 42 Cb -0.12 -2.76 0.01 0.00 -1.53 0.00 0.00 36.38 31.98 2e9j s VAL 42 CO 0.17 0.30 0.11 1.51 -3.33 0.00 0.00 175.10 173.86 2e9j s ASP 43 N -1.75 -0.06 0.41 3.54 1.47 -1.26 -0.20 116.67 118.83 2e9j s ASP 43 Ca 0.20 0.06 0.03 0.00 1.18 0.00 0.00 52.55 54.03 2e9j s ASP 43 Cb -0.11 0.23 0.03 0.00 -0.34 0.00 0.00 42.92 42.72 2e9j s ASP 43 CO 0.12 -0.15 0.22 2.22 0.68 0.00 0.00 175.17 178.26 2e9j n PHE 44 N 2.49 -0.33 -4.02 2.11 -1.74 -1.08 -4.09 117.46 110.80 2e9j n PHE 44 Ca -0.16 -1.80 -0.20 0.00 -0.56 0.00 0.00 57.45 54.73 2e9j n PHE 44 Cb 0.58 -0.32 -0.17 0.00 1.52 0.00 0.00 39.48 41.10 2e9j n PHE 44 CO 0.00 0.00 0.00 0.00 -0.56 0.00 0.00 176.76 176.20 2e9j s ALA 45 N -2.62 0.60 -0.52 1.98 0.00 -1.11 -3.13 121.76 116.97 2e9j s ALA 45 Ca 0.17 -0.02 -0.17 0.00 0.00 0.00 0.00 51.96 51.93 2e9j s ALA 45 Cb -0.01 -0.47 0.09 0.00 0.00 0.00 0.00 23.12 22.72 2e9j s ALA 45 CO 0.11 -0.13 0.53 0.42 0.00 0.00 0.00 175.76 176.69 2e9j s ILE 46 N 1.18 5.06 -0.47 0.00 1.01 0.68 -2.37 121.20 126.30 2e9j s ILE 46 Ca -0.07 -1.01 -0.20 0.00 0.00 0.00 0.00 60.65 59.37 2e9j s ILE 46 Cb -0.14 -4.29 0.04 0.00 0.01 0.00 0.00 42.46 38.08 2e9j s ILE 46 CO -0.02 -0.81 0.65 -0.62 0.00 0.00 0.00 174.94 174.15 2e9j s ASP 47 N 3.04 6.28 -0.19 3.58 -1.08 -0.86 -2.85 116.67 124.60 2e9j s ASP 47 Ca 0.08 -0.54 -0.05 0.00 -0.52 0.00 0.00 52.55 51.52 2e9j s ASP 47 Cb -0.24 -2.31 -0.02 0.00 -1.46 0.00 0.00 42.92 38.88 2e9j s ASP 47 CO 0.07 -0.84 -0.01 0.00 0.52 0.00 0.00 175.17 174.91 2e9j s ALA 48 N 2.80 2.99 -0.20 3.66 0.00 -1.26 -3.95 121.76 125.81 2e9j s ALA 48 Ca 0.20 -0.98 -0.15 0.00 0.00 0.00 0.00 51.96 51.03 2e9j s ALA 48 Cb -0.16 -1.72 -0.09 0.00 0.00 0.00 0.00 23.12 21.16 2e9j s ALA 48 CO 0.16 -0.11 -0.21 0.54 0.00 0.00 0.00 175.76 176.14 2e9j n ARG 49 N 4.17 0.53 -0.87 0.00 1.74 -1.26 -4.67 116.66 116.30 2e9j n ARG 49 Ca -0.17 0.37 0.02 0.00 -0.77 0.00 0.00 57.85 57.29 2e9j n ARG 49 Cb 0.52 -1.57 0.17 0.00 -1.02 0.00 0.00 32.46 30.56 2e9j n ARG 49 CO 0.00 0.00 0.00 -0.25 -1.52 0.00 0.00 177.63 175.86 2e9j n ASP 50 N -4.44 2.06 -0.29 0.55 8.00 -1.26 -4.72 116.55 116.44 2e9j n ASP 50 Ca -0.26 -3.72 0.01 0.00 0.71 0.00 0.00 54.79 51.54 2e9j n ASP 50 Cb 0.58 -0.49 0.04 0.00 -0.02 0.00 0.00 41.12 41.23 2e9j n ASP 50 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2e9j n ALA 51 N -0.94 2.53 -0.36 2.24 0.00 -1.23 -4.45 120.51 118.30 2e9j n ALA 51 Ca 0.21 -0.18 0.00 0.00 0.00 0.00 0.00 53.44 53.47 2e9j n ALA 51 Cb 0.76 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 19.21 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 0.51 0.89 3.10 0.00 0.00 -1.24 -2.14 105.19 106.31 2e9j n GLY 52 Ca 0.03 -0.62 -0.32 0.00 0.00 0.00 0.00 46.02 45.11 2e9j n GLY 52 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 2e9j s GLU 53 N 0.00 2.80 0.32 1.61 -1.05 -1.26 -4.83 118.70 116.29 2e9j s GLU 53 Ca 0.00 -0.76 -0.05 0.00 -0.15 0.00 0.00 54.97 54.01 2e9j s GLU 53 Cb 0.00 -2.43 0.00 0.00 -0.44 0.00 0.00 34.13 31.26 2e9j s GLU 53 CO 0.00 -0.20 0.48 0.20 0.95 0.00 0.00 175.26 176.69 2e9j s GLY 54 N 1.30 1.26 -0.56 -3.83 0.00 -1.26 -4.15 107.32 100.08 2e9j s GLY 54 Ca 0.04 -1.37 -0.24 0.00 0.00 0.00 0.00 44.72 43.14 2e9j s GLY 54 CO -0.11 -0.91 0.95 -2.27 0.00 0.00 0.00 173.10 170.76 2e9j s LEU 55 N -3.19 4.09 0.05 0.66 0.20 -1.26 -4.81 118.68 114.43 2e9j s LEU 55 Ca 0.29 -0.38 -0.30 0.00 0.69 0.00 0.00 54.13 54.42 2e9j s LEU 55 Cb -0.00 -2.81 -0.05 0.00 -0.43 0.00 0.00 46.19 42.90 2e9j s LEU 55 CO 0.18 -1.26 1.12 -0.22 -0.29 0.00 0.00 176.35 175.88 2e9j s LEU 56 N 4.01 4.38 -0.12 -0.68 2.96 -1.26 -3.24 118.68 124.72 2e9j s LEU 56 Ca 0.30 1.91 0.02 0.00 -0.22 0.00 0.00 54.13 56.15 2e9j s LEU 56 Cb -0.13 -3.58 0.01 0.00 0.50 0.00 0.00 46.19 43.00 2e9j s LEU 56 CO 0.19 -0.38 -0.18 0.00 -1.32 0.00 0.00 176.35 174.65 2e9j s ALA 57 N 0.94 1.94 -0.34 5.97 0.00 -1.08 -5.06 121.76 124.13 2e9j s ALA 57 Ca 0.56 -0.89 -0.14 0.00 0.00 0.00 0.00 51.96 51.49 2e9j s ALA 57 Cb -0.27 -0.89 -0.02 0.00 0.00 0.00 0.00 23.12 21.94 2e9j s ALA 57 CO 0.29 -0.03 0.30 0.08 0.00 0.00 0.00 175.76 176.40 2e9j s VAL 58 N 0.88 5.23 -0.28 0.00 1.01 -1.26 -3.31 120.40 122.66 2e9j s VAL 58 Ca -0.08 -0.05 -0.00 0.00 0.00 0.00 0.00 61.98 61.85 2e9j s VAL 58 Cb -0.15 -3.76 0.05 0.00 0.00 0.00 0.00 36.38 32.52 2e9j s VAL 58 CO -0.01 -0.03 -0.04 -1.58 0.00 0.00 0.00 175.10 173.43 2e9j s GLN 59 N 1.87 2.42 -0.15 2.72 0.74 -1.24 -5.05 119.66 120.97 2e9j s GLN 59 Ca 0.09 -1.26 0.01 0.00 0.05 0.00 0.00 55.36 54.26 2e9j s GLN 59 Cb -0.17 -3.06 0.02 0.00 1.10 0.00 0.00 33.01 30.90 2e9j s GLN 59 CO 0.11 -0.57 -0.19 0.42 -0.55 0.00 0.00 175.29 174.51 2e9j s ILE 60 N 1.21 1.89 0.14 -2.34 1.01 -1.26 -1.66 121.20 120.20 2e9j s ILE 60 Ca -0.06 -0.85 0.06 0.00 0.00 0.00 0.00 60.65 59.80 2e9j s ILE 60 Cb -0.19 -1.71 -0.04 0.00 0.01 0.00 0.00 42.46 40.53 2e9j s ILE 60 CO -0.03 0.51 -0.14 0.42 0.00 0.00 0.00 174.94 175.70 2e9j s THR 61 N 1.15 1.45 0.48 2.92 -4.23 -0.75 -3.08 115.64 113.58 2e9j s THR 61 Ca -0.00 -1.85 0.02 0.00 -1.18 0.00 0.00 61.69 58.68 2e9j s THR 61 Cb -0.14 -1.69 0.02 0.00 1.34 0.00 0.00 72.50 72.04 2e9j s THR 61 CO -0.08 -0.46 0.19 -0.67 -0.54 0.00 0.00 174.62 173.07 2e9j n ASP 62 N 0.29 2.91 0.19 3.99 2.03 -1.24 -1.88 116.55 122.84 2e9j n ASP 62 Ca -0.13 -2.85 0.17 0.00 0.52 0.00 0.00 54.79 52.50 2e9j n ASP 62 Cb 0.58 0.13 0.68 0.00 -0.72 0.00 0.00 41.12 41.80 2e9j n ASP 62 CO 0.00 0.00 0.00 0.06 -1.92 0.00 0.00 177.20 175.34 2e9j h GLN 63 N 0.00 0.00 0.00 -0.67 3.07 -1.90 0.89 115.11 116.50 2e9j h GLN 63 Ca -0.35 0.00 -0.15 0.00 0.09 0.00 0.00 58.65 58.25 2e9j h GLN 63 Cb 1.15 0.00 -0.02 0.00 0.08 0.00 0.00 27.48 28.68 2e9j h GLN 63 CO 0.56 0.00 -0.99 1.49 0.09 0.00 0.00 178.83 179.97 2e9j h GLU 64 N 0.00 0.00 0.00 0.06 4.57 -1.93 -3.48 114.58 113.80 2e9j h GLU 64 Ca 0.12 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.30 2e9j h GLU 64 Cb 1.15 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.74 2e9j h GLU 64 CO -0.00 0.44 0.00 0.41 -1.18 0.00 0.00 179.01 178.68 2e9j n GLY 65 N 1.32 0.70 3.92 1.92 0.00 0.31 -5.06 105.19 108.29 2e9j n GLY 65 Ca -0.04 -0.18 -0.29 0.00 0.00 0.00 0.00 46.02 45.51 2e9j n GLY 65 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2e9j s LYS 66 N -0.63 3.56 0.04 1.61 -2.85 -1.26 -4.79 119.74 115.41 2e9j s LYS 66 Ca 0.00 -0.24 -0.31 0.00 -1.00 0.00 0.00 55.97 54.43 2e9j s LYS 66 Cb 0.00 -2.83 -0.06 0.00 -2.06 0.00 0.00 37.83 32.88 2e9j s LYS 66 CO 0.00 0.41 1.42 -1.25 0.10 0.00 0.00 175.35 176.03 2e9j s PRO 67 N -3.12 4.29 0.17 1.78 0.04 -1.26 -3.59 135.00 133.30 2e9j s PRO 67 Ca 0.40 2.03 -0.00 0.00 0.04 0.00 0.00 61.00 63.46 2e9j s PRO 67 Cb -0.11 -3.48 -0.04 0.00 0.04 0.00 0.00 34.50 30.91 2e9j s PRO 67 CO 0.28 -0.54 0.34 0.15 0.04 0.00 0.00 177.00 177.27 2e9j s LYS 68 N 2.03 3.50 -0.03 4.56 -0.14 -1.18 -5.04 119.74 123.43 2e9j s LYS 68 Ca 0.65 -0.40 -0.30 0.00 -1.36 0.00 0.00 55.97 54.56 2e9j s LYS 68 Cb -0.34 -2.89 -0.06 0.00 -1.68 0.00 0.00 37.83 32.86 2e9j s LYS 68 CO 0.28 0.46 1.67 0.50 -0.76 0.00 0.00 175.35 177.50 2e9j s ARG 69 N -3.16 4.18 0.09 1.68 3.52 -1.26 -4.90 118.95 119.10 2e9j s ARG 69 Ca 0.37 2.23 0.05 0.00 -0.13 0.00 0.00 55.73 58.25 2e9j s ARG 69 Cb -0.11 -3.95 -0.03 0.00 -1.56 0.00 0.00 34.95 29.29 2e9j s ARG 69 CO 0.28 -0.84 -0.13 0.00 -0.81 0.00 0.00 175.30 173.81 2e9j s ALA 70 N 3.90 1.23 -0.00 6.12 0.00 -1.26 -4.20 121.76 127.55 2e9j s ALA 70 Ca 0.74 -1.11 0.06 0.00 0.00 0.00 0.00 51.96 51.65 2e9j s ALA 70 Cb -0.35 -0.06 -0.03 0.00 0.00 0.00 0.00 23.12 22.69 2e9j s ALA 70 CO 0.31 0.10 -0.18 0.42 0.00 0.00 0.00 175.76 176.40 2e9j s ILE 71 N -1.76 2.73 -0.13 0.00 1.01 0.00 -4.99 121.20 118.06 2e9j s ILE 71 Ca 0.02 -1.02 -0.01 0.00 0.00 0.00 0.00 60.65 59.64 2e9j s ILE 71 Cb -0.07 -2.08 -0.02 0.00 0.01 0.00 0.00 42.46 40.29 2e9j s ILE 71 CO 0.02 0.47 -0.09 0.54 0.00 0.00 0.00 174.94 175.88 2e9j s VAL 72 N -0.80 3.44 -0.13 2.92 0.11 -1.26 -1.49 120.40 123.19 2e9j s VAL 72 Ca 0.13 -0.53 0.03 0.00 -2.93 0.00 0.00 61.98 58.67 2e9j s VAL 72 Cb -0.10 -2.46 0.01 0.00 -1.53 0.00 0.00 36.38 32.30 2e9j s VAL 72 CO 0.02 0.53 -0.22 -1.00 -3.33 0.00 0.00 175.10 171.10 2e9j s HIS 73 N 0.15 2.56 -0.27 1.54 3.76 0.20 -5.01 115.29 118.23 2e9j s HIS 73 Ca -0.04 -1.23 -0.09 0.00 -0.15 0.00 0.00 55.06 53.54 2e9j s HIS 73 Cb -0.14 -1.74 -0.04 0.00 1.11 0.00 0.00 32.58 31.76 2e9j s HIS 73 CO 0.04 -0.56 0.14 0.34 -0.85 0.00 0.00 174.74 173.85 2e9j s ASP 74 N 0.73 5.62 0.01 1.40 2.15 -1.26 -2.25 116.67 123.07 2e9j s ASP 74 Ca -0.10 -0.10 0.21 0.00 0.43 0.00 0.00 52.55 53.00 2e9j s ASP 74 Cb -0.16 -2.03 -0.24 0.00 -0.30 0.00 0.00 42.92 40.19 2e9j s ASP 74 CO 0.00 -0.04 0.58 0.59 -0.17 0.00 0.00 175.17 176.13 2e9j n ASN 75 N 4.99 0.27 -2.02 -0.34 3.02 -1.26 -4.96 115.26 114.96 2e9j n ASN 75 Ca -0.15 0.11 -0.12 0.00 -0.03 0.00 0.00 54.58 54.39 2e9j n ASN 75 Cb 0.52 1.35 -0.02 0.00 -0.61 0.00 0.00 39.78 41.01 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 -2.48 -1.85 -0.30 3.52 4.01 -1.26 -4.77 118.16 115.02 2e9j n LYS 76 Ca -0.08 0.65 0.08 0.00 -0.51 0.00 0.00 58.31 58.45 2e9j n LYS 76 Cb 0.67 -5.10 0.14 0.00 -0.51 0.00 0.00 35.03 30.23 2e9j n LYS 76 CO 0.00 0.00 0.00 -0.25 -1.11 0.00 0.00 177.40 176.04 2e9j n ASP 77 N -1.25 1.92 0.00 4.39 8.00 -1.26 -4.94 116.55 123.41 2e9j n ASP 77 Ca -0.14 -3.17 0.00 0.00 0.71 0.00 0.00 54.79 52.19 2e9j n ASP 77 Cb 0.53 -0.43 0.00 0.00 -0.02 0.00 0.00 41.12 41.20 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 -1.15 0.84 3.54 0.44 0.00 -1.26 -5.07 105.19 102.53 2e9j n GLY 78 Ca 0.15 -0.58 -0.10 0.00 0.00 0.00 0.00 46.02 45.49 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 -2.00 0.00 -0.10 2.61 -4.23 -1.26 -4.05 115.64 106.61 2e9j s THR 79 Ca 0.00 -1.49 -0.07 0.00 -1.18 0.00 0.00 61.69 58.95 2e9j s THR 79 Cb 0.00 -2.32 0.03 0.00 1.34 0.00 0.00 72.50 71.55 2e9j s THR 79 CO 0.00 0.00 0.25 -0.31 -0.54 0.00 0.00 174.62 174.02 2e9j s TYR 80 N -3.83 -0.30 0.04 3.99 2.02 -1.13 -4.09 117.35 114.05 2e9j s TYR 80 Ca 0.25 0.72 0.08 0.00 -0.37 0.00 0.00 57.07 57.74 2e9j s TYR 80 Cb 0.00 0.08 -0.03 0.00 -0.40 0.00 0.00 41.96 41.61 2e9j s TYR 80 CO 0.11 -0.17 -0.20 0.00 -1.57 0.00 0.00 175.55 173.71 2e9j s ALA 81 N 0.61 2.50 -0.07 3.71 0.00 -0.95 -0.23 121.76 127.33 2e9j s ALA 81 Ca -0.04 -1.21 -0.03 0.00 0.00 0.00 0.00 51.96 50.68 2e9j s ALA 81 Cb -0.05 -0.67 0.04 0.00 0.00 0.00 0.00 23.12 22.44 2e9j s ALA 81 CO -0.04 0.56 0.13 0.08 0.00 0.00 0.00 175.76 176.50 2e9j s VAL 82 N -0.89 -0.22 -0.10 0.00 1.01 -1.18 -0.63 120.40 118.38 2e9j s VAL 82 Ca 0.14 0.37 -0.10 0.00 0.00 0.00 0.00 61.98 62.39 2e9j s VAL 82 Cb -0.10 -0.26 -0.05 0.00 0.00 0.00 0.00 36.38 35.97 2e9j s VAL 82 CO 0.04 0.16 0.22 -0.89 0.00 0.00 0.00 175.10 174.63 2e9j s THR 83 N 2.25 5.36 -0.07 3.92 2.01 -0.55 -2.65 115.64 125.91 2e9j s THR 83 Ca 0.03 0.39 -0.03 0.00 0.31 0.00 0.00 61.69 62.39 2e9j s THR 83 Cb -0.12 -3.51 0.04 0.00 0.01 0.00 0.00 72.50 68.92 2e9j s THR 83 CO -0.05 0.57 0.16 -0.72 -0.69 0.00 0.00 174.62 173.89 2e9j s TYR 84 N -0.76 -0.19 -0.41 4.92 -0.85 0.73 -0.82 117.35 119.98 2e9j s TYR 84 Ca 0.17 0.52 -0.06 0.00 -0.52 0.00 0.00 57.07 57.18 2e9j s TYR 84 Cb -0.13 -0.05 0.09 0.00 0.38 0.00 0.00 41.96 42.25 2e9j s TYR 84 CO 0.06 -0.17 0.22 0.42 -1.52 0.00 0.00 175.55 174.56 2e9j s ILE 85 N 1.07 3.74 -0.94 -3.49 1.01 -1.26 -2.69 121.20 118.64 2e9j s ILE 85 Ca -0.08 -1.68 -0.24 0.00 0.00 0.00 0.00 60.65 58.65 2e9j s ILE 85 Cb -0.10 -3.39 -0.05 0.00 0.01 0.00 0.00 42.46 38.93 2e9j s ILE 85 CO -0.06 -0.56 1.94 -2.16 0.00 0.00 0.00 174.94 174.11 2e9j s PRO 86 N 1.30 2.55 0.19 2.79 0.04 -1.26 -4.79 135.00 135.81 2e9j s PRO 86 Ca 0.04 -0.42 -0.09 0.00 0.04 0.00 0.00 61.00 60.57 2e9j s PRO 86 Cb -0.23 -5.09 0.08 0.00 0.04 0.00 0.00 34.50 29.30 2e9j s PRO 86 CO -0.01 -3.47 1.66 0.22 0.04 0.00 0.00 177.00 175.45 2e9j h ASP 87 N 11.06 1.07 -3.11 6.66 3.58 -1.96 -1.78 116.42 131.93 2e9j h ASP 87 Ca 0.12 -0.28 -0.45 0.00 0.42 0.00 0.00 57.03 56.83 2e9j h ASP 87 Cb 1.00 -0.29 0.05 0.00 1.72 0.00 0.00 39.33 41.81 2e9j h ASP 87 CO 1.21 1.09 0.07 -0.54 -2.88 0.00 0.00 179.24 178.18 2e9j s LYS 88 N -5.11 2.61 -0.04 0.28 -0.14 -1.26 -4.72 119.74 111.36 2e9j s LYS 88 Ca -0.12 -0.44 0.07 0.00 -1.36 0.00 0.00 55.97 54.12 2e9j s LYS 88 Cb 0.14 -2.37 -0.02 0.00 -1.68 0.00 0.00 37.83 33.90 2e9j s LYS 88 CO 0.86 -0.78 -0.25 0.95 -0.76 0.00 0.00 175.35 175.36 2e9j s THR 89 N -2.90 2.02 0.00 2.17 -4.23 -1.26 -4.85 115.64 106.59 2e9j s THR 89 Ca 0.56 -1.08 0.00 0.00 -1.18 0.00 0.00 61.69 59.99 2e9j s THR 89 Cb -0.10 -1.69 0.00 0.00 1.34 0.00 0.00 72.50 72.04 2e9j s THR 89 CO 0.41 0.57 0.00 0.61 -0.54 0.00 0.00 174.62 175.67 2e9j n GLY 90 N 2.68 0.22 3.58 3.99 0.00 -1.26 -4.97 105.19 109.42 2e9j n GLY 90 Ca -0.17 -0.53 -0.33 0.00 0.00 0.00 0.00 46.02 44.99 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 2.64 -0.10 1.61 1.70 -1.26 -3.28 118.95 120.26 2e9j s ARG 91 Ca 0.00 -0.63 0.01 0.00 -0.47 0.00 0.00 55.73 54.64 2e9j s ARG 91 Cb 0.00 -2.53 0.02 0.00 -0.57 0.00 0.00 34.95 31.86 2e9j s ARG 91 CO 0.00 0.64 -0.13 0.71 -1.08 0.00 0.00 175.30 175.43 2e9j s TYR 92 N -0.88 1.81 -0.24 5.89 2.02 -0.44 -2.80 117.35 122.71 2e9j s TYR 92 Ca 0.14 -0.84 -0.08 0.00 -0.37 0.00 0.00 57.07 55.93 2e9j s TYR 92 Cb -0.11 -1.33 -0.03 0.00 -0.40 0.00 0.00 41.96 40.08 2e9j s TYR 92 CO 0.04 -0.45 0.08 1.41 -1.57 0.00 0.00 175.55 175.05 2e9j s MET 93 N 1.06 3.75 -0.18 -0.62 1.75 -0.79 -2.55 119.30 121.73 2e9j s MET 93 Ca -0.06 -0.43 -0.00 0.00 -1.25 0.00 0.00 55.69 53.95 2e9j s MET 93 Cb -0.15 -3.33 0.01 0.00 2.84 0.00 0.00 34.83 34.20 2e9j s MET 93 CO -0.02 -0.09 -0.15 0.42 -0.65 0.00 0.00 175.02 174.53 2e9j s ILE 94 N 1.36 2.53 -0.53 10.11 1.01 -0.97 -1.81 121.20 132.89 2e9j s ILE 94 Ca 0.05 -0.80 -0.04 0.00 0.00 0.00 0.00 60.65 59.87 2e9j s ILE 94 Cb -0.15 -2.08 0.14 0.00 0.01 0.00 0.00 42.46 40.38 2e9j s ILE 94 CO 0.04 0.51 0.35 -0.83 0.00 0.00 0.00 174.94 175.01 2e9j s GLY 95 N 1.12 2.27 -0.51 6.18 0.00 -0.67 0.17 107.32 115.88 2e9j s GLY 95 Ca 0.00 -2.92 -0.28 0.00 0.00 0.00 0.00 44.72 41.52 2e9j s GLY 95 CO -0.06 1.08 1.13 0.14 0.00 0.00 0.00 173.10 175.40 2e9j s VAL 96 N 0.54 4.18 -0.04 1.40 1.01 -1.26 -3.71 120.40 122.52 2e9j s VAL 96 Ca 0.13 1.07 0.00 0.00 0.00 0.00 0.00 61.98 63.18 2e9j s VAL 96 Cb -0.22 -4.63 -0.03 0.00 0.00 0.00 0.00 36.38 31.50 2e9j s VAL 96 CO -0.04 -1.10 -0.00 0.42 0.00 0.00 0.00 175.10 174.39 2e9j s THR 97 N 4.53 4.19 -0.11 3.92 -4.23 -1.21 -3.39 115.64 119.35 2e9j s THR 97 Ca 0.45 -0.45 -0.01 0.00 -1.18 0.00 0.00 61.69 60.50 2e9j s THR 97 Cb -0.08 -2.82 0.03 0.00 1.34 0.00 0.00 72.50 70.97 2e9j s THR 97 CO 0.29 0.48 -0.03 -0.47 -0.54 0.00 0.00 174.62 174.35 2e9j s TYR 98 N -0.99 1.13 -1.31 3.99 5.04 -0.14 -2.63 117.35 122.44 2e9j s TYR 98 Ca 0.17 -0.54 -0.03 0.00 -2.44 0.00 0.00 57.07 54.23 2e9j s TYR 98 Cb -0.11 -1.04 0.01 0.00 0.35 0.00 0.00 41.96 41.16 2e9j s TYR 98 CO 0.07 -0.45 0.87 0.41 -1.34 0.00 0.00 175.55 175.11 2e9j n GLY 99 N 5.03 -0.36 3.05 8.97 0.00 -1.20 -1.87 105.19 118.81 2e9j n GLY 99 Ca -0.10 0.14 -0.22 0.00 0.00 0.00 0.00 46.02 45.84 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 -1.51 -0.48 3.19 -0.02 0.00 -1.26 -4.98 105.19 100.12 2e9j n GLY 100 Ca -0.22 0.12 -0.08 0.00 0.00 0.00 0.00 46.02 45.84 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 -2.80 -0.21 0.21 1.61 1.01 -0.78 -5.15 116.67 110.55 2e9j s ASP 101 Ca 0.33 0.83 -0.30 0.00 0.71 0.00 0.00 52.55 54.13 2e9j s ASP 101 Cb -0.15 1.36 -0.08 0.00 1.01 0.00 0.00 42.92 45.06 2e9j s ASP 101 CO 0.41 -0.25 1.03 -1.81 0.21 0.00 0.00 175.17 174.76 2e9j s ASP 102 N 2.62 7.43 0.64 0.27 1.11 -1.26 -0.96 116.67 126.51 2e9j s ASP 102 Ca 0.02 2.03 -0.16 0.00 0.18 0.00 0.00 52.55 54.63 2e9j s ASP 102 Cb -0.13 -2.61 -0.01 0.00 1.07 0.00 0.00 42.92 41.24 2e9j s ASP 102 CO -0.14 -0.06 1.10 0.27 1.18 0.00 0.00 175.17 177.52 2e9j s ILE 103 N -0.69 3.35 -2.00 0.77 -4.36 -1.22 -4.87 121.20 112.20 2e9j s ILE 103 Ca 0.45 0.65 0.11 0.00 -0.26 0.00 0.00 60.65 61.61 2e9j s ILE 103 Cb -0.28 -3.18 0.32 0.00 1.25 0.00 0.00 42.46 40.58 2e9j s ILE 103 CO 0.34 -0.37 1.11 -0.81 0.24 0.00 0.00 174.94 175.45 2e9j n PRO 104 N -2.24 0.49 -0.05 0.37 -0.04 -1.26 -2.13 135.00 130.14 2e9j n PRO 104 Ca 0.10 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.56 2e9j n PRO 104 Cb 0.52 -1.36 -0.15 0.00 -0.04 0.00 0.00 33.50 32.47 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 -0.86 0.00 -4.92 1.53 7.99 -1.26 -4.98 117.00 114.49 2e9j n LEU 105 Ca 0.08 0.00 -0.26 0.00 -0.01 0.00 0.00 56.01 55.83 2e9j n LEU 105 Cb 0.04 0.23 -0.00 0.00 -0.11 0.00 0.00 43.42 43.58 2e9j n LEU 105 CO 0.06 0.23 0.34 -0.44 -1.51 0.00 0.00 177.39 176.07 2e9j s SER 106 N -4.73 6.17 1.24 -1.43 0.01 -0.90 -4.50 113.70 109.55 2e9j s SER 106 Ca -0.08 0.67 -0.20 0.00 1.31 0.00 0.00 55.95 57.65 2e9j s SER 106 Cb 0.09 -2.04 0.29 0.00 0.21 0.00 0.00 66.02 64.56 2e9j s SER 106 CO 0.77 -0.54 1.03 -0.81 0.41 0.00 0.00 173.24 174.10 2e9j n PRO 107 N -2.10 -3.05 -5.05 12.44 -0.04 -1.26 -4.85 135.00 131.08 2e9j n PRO 107 Ca -0.01 -1.65 -0.32 0.00 -0.04 0.00 0.00 63.50 61.48 2e9j n PRO 107 Cb 0.56 -1.55 -0.16 0.00 -0.04 0.00 0.00 33.50 32.31 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 -2.87 2.63 -0.20 0.54 1.51 0.13 -4.91 117.35 114.17 2e9j s TYR 108 Ca 0.67 -0.73 -0.14 0.00 -1.01 0.00 0.00 57.07 55.86 2e9j s TYR 108 Cb -0.07 -1.71 -0.04 0.00 -0.11 0.00 0.00 41.96 40.03 2e9j s TYR 108 CO 0.52 -0.23 0.31 1.03 -1.11 0.00 0.00 175.55 176.07 2e9j s ARG 109 N 0.08 4.17 0.02 -0.62 0.52 -1.26 -2.28 118.95 119.57 2e9j s ARG 109 Ca -0.09 0.05 -0.01 0.00 -0.52 0.00 0.00 55.73 55.17 2e9j s ARG 109 Cb -0.15 -3.51 -0.02 0.00 0.52 0.00 0.00 34.95 31.79 2e9j s ARG 109 CO 0.06 0.05 -0.02 0.42 0.02 0.00 0.00 175.30 175.83 2e9j s ILE 110 N 1.05 0.11 -0.07 1.52 1.01 -1.06 -4.85 121.20 118.91 2e9j s ILE 110 Ca 0.15 -0.88 0.01 0.00 0.00 0.00 0.00 60.65 59.94 2e9j s ILE 110 Cb -0.14 -0.27 0.02 0.00 0.01 0.00 0.00 42.46 42.08 2e9j s ILE 110 CO 0.06 -0.48 -0.08 -0.13 0.00 0.00 0.00 174.94 174.31 2e9j s ARG 111 N -1.43 1.33 -0.41 2.79 0.52 -1.26 -1.33 118.95 119.17 2e9j s ARG 111 Ca -0.16 -0.25 -0.28 0.00 -0.52 0.00 0.00 55.73 54.52 2e9j s ARG 111 Cb -0.10 -1.25 0.02 0.00 0.52 0.00 0.00 34.95 34.15 2e9j s ARG 111 CO -0.01 -0.09 1.05 0.00 0.02 0.00 0.00 175.30 176.27 2e9j s ALA 112 N 1.06 3.32 -0.69 2.13 0.00 -1.21 -2.17 121.76 124.20 2e9j s ALA 112 Ca -0.08 -0.37 -0.26 0.00 0.00 0.00 0.00 51.96 51.25 2e9j s ALA 112 Cb -0.14 -3.73 0.04 0.00 0.00 0.00 0.00 23.12 19.29 2e9j s ALA 112 CO -0.01 -1.87 1.17 0.95 0.00 0.00 0.00 175.76 176.01 2e9j s THR 113 N 3.94 3.95 -0.08 0.00 -4.23 -0.05 -4.49 115.64 114.67 2e9j s THR 113 Ca 0.44 0.27 -0.27 0.00 -1.18 0.00 0.00 61.69 60.95 2e9j s THR 113 Cb -0.10 -4.82 -0.02 0.00 1.34 0.00 0.00 72.50 68.90 2e9j s THR 113 CO 0.24 -1.65 0.88 -1.58 -0.54 0.00 0.00 174.62 171.96 2e9j s GLN 114 N 5.12 4.43 -0.18 3.99 2.00 -1.26 -3.94 119.66 129.82 2e9j s GLN 114 Ca 0.32 1.18 -0.21 0.00 -2.00 0.00 0.00 55.36 54.65 2e9j s GLN 114 Cb -0.10 -3.50 -0.18 0.00 0.80 0.00 0.00 33.01 30.02 2e9j s GLN 114 CO 0.15 -0.15 0.28 1.15 -0.50 0.00 0.00 175.29 176.22 2e9j h THR 115 N 4.95 0.96 0.00 -0.34 2.02 -1.94 -3.51 112.91 115.05 2e9j h THR 115 Ca -0.36 -2.03 0.00 0.00 0.77 0.00 0.00 66.41 64.79 2e9j h THR 115 Cb 1.18 2.13 0.00 0.00 -1.74 0.00 0.00 68.15 69.71 2e9j h THR 115 CO 0.80 0.32 0.00 0.61 0.37 0.00 0.00 175.52 177.62 2e9j n GLY 116 N 1.50 -0.53 3.59 2.16 0.00 -1.26 -5.14 105.19 105.52 2e9j n GLY 116 Ca -0.23 -0.05 -0.36 0.00 0.00 0.00 0.00 46.02 45.37 2e9j n GLY 116 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2e9j n ASP 117 N 0.00 0.30 -4.18 1.61 2.03 -1.26 -4.97 116.55 110.09 2e9j n ASP 117 Ca 0.00 0.70 -0.38 0.00 0.52 0.00 0.00 54.79 55.62 2e9j n ASP 117 Cb 0.00 -1.37 -0.10 0.00 -0.72 0.00 0.00 41.12 38.92 2e9j n ASP 117 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2e9j s ALA 118 N -1.74 3.24 0.00 -1.67 0.00 -1.26 -5.24 121.76 115.08 2e9j s ALA 118 Ca 0.73 -2.42 0.00 0.00 0.00 0.00 0.00 51.96 50.27 2e9j s ALA 118 Cb -0.37 -2.56 0.00 0.00 0.00 0.00 0.00 23.12 20.19 2e9j s ALA 118 CO 0.50 -1.78 0.32 -1.13 0.00 0.00 0.00 175.76 173.68