#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 -0.62 -0.00 1.61 1.04 -1.26 -5.06 113.70 109.41 2e9j s SER 2 Ca 0.00 0.94 -0.23 0.00 0.48 0.00 0.00 55.95 57.14 2e9j s SER 2 Cb 0.00 1.44 -0.19 0.00 0.10 0.00 0.00 66.02 67.38 2e9j s SER 2 CO 0.00 -0.14 1.23 0.28 0.98 0.00 0.00 173.24 175.58 2e9j h SER 3 N 6.73 0.25 -1.93 7.02 0.02 -2.13 -3.50 113.55 120.01 2e9j h SER 3 Ca -0.24 -0.58 0.00 0.00 -0.84 0.00 0.00 61.79 60.13 2e9j h SER 3 Cb 1.17 -0.07 0.00 0.00 0.14 0.00 0.00 62.40 63.63 2e9j h SER 3 CO 0.15 0.78 0.00 0.61 -1.14 0.00 0.00 176.83 177.23 2e9j n GLY 4 N 0.48 2.75 0.08 -3.77 0.00 -1.26 -5.00 105.19 98.47 2e9j n GLY 4 Ca -0.08 -1.38 -0.12 0.00 0.00 0.00 0.00 46.02 44.45 2e9j n GLY 4 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 2e9j h SER 5 N 0.00 -0.06 -5.98 1.61 0.02 -2.06 -3.47 113.55 103.61 2e9j h SER 5 Ca 0.00 -0.60 -0.41 0.00 -0.84 0.00 0.00 61.79 59.94 2e9j h SER 5 Cb 0.00 0.02 0.08 0.00 0.14 0.00 0.00 62.40 62.64 2e9j h SER 5 CO 0.00 0.63 -0.73 -1.20 -1.14 0.00 0.00 176.83 174.39 2e9j n SER 6 N -4.78 -4.79 -4.81 3.07 7.64 -1.26 -4.99 113.62 103.70 2e9j n SER 6 Ca -0.08 -0.65 -0.33 0.00 1.01 0.00 0.00 58.87 58.82 2e9j n SER 6 Cb 0.32 -4.61 -0.06 0.00 -1.01 0.00 0.00 64.21 58.85 2e9j n SER 6 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 2e9j s GLY 7 N -3.57 3.01 0.03 0.23 0.00 -1.26 -5.16 107.32 100.60 2e9j s GLY 7 Ca 0.47 -0.20 0.01 0.00 0.00 0.00 0.00 44.72 45.01 2e9j s GLY 7 CO 0.77 -2.18 -0.06 -1.60 0.00 0.00 0.00 173.10 170.03 2e9j s ARG 8 N -3.97 0.44 0.17 2.90 3.52 -1.26 -5.15 118.95 115.60 2e9j s ARG 8 Ca 0.05 -0.70 -0.22 0.00 -0.13 0.00 0.00 55.73 54.73 2e9j s ARG 8 Cb -0.00 -0.12 -0.08 0.00 -1.56 0.00 0.00 34.95 33.19 2e9j s ARG 8 CO 0.03 0.01 0.72 -1.12 -0.81 0.00 0.00 175.30 174.13 2e9j s SER 9 N -1.54 7.21 0.02 -2.12 0.01 -1.26 -5.02 113.70 111.00 2e9j s SER 9 Ca -0.12 1.49 -0.30 0.00 1.31 0.00 0.00 55.95 58.33 2e9j s SER 9 Cb -0.10 -2.44 -0.06 0.00 0.21 0.00 0.00 66.02 63.63 2e9j s SER 9 CO -0.00 0.16 1.43 -2.16 0.41 0.00 0.00 173.24 173.08 2e9j s PRO 10 N -1.43 4.28 0.91 12.44 0.04 -1.26 -5.00 135.00 144.97 2e9j s PRO 10 Ca 0.37 2.02 -0.11 0.00 0.04 0.00 0.00 61.00 63.32 2e9j s PRO 10 Cb -0.20 -3.54 0.14 0.00 0.04 0.00 0.00 34.50 30.93 2e9j s PRO 10 CO 0.23 -0.58 1.10 -0.06 0.04 0.00 0.00 177.00 177.73 2e9j s PHE 11 N 2.30 1.95 0.07 0.56 0.40 -1.26 -4.95 117.98 117.05 2e9j s PHE 11 Ca 0.65 1.54 -0.30 0.00 -0.60 0.00 0.00 56.93 58.22 2e9j s PHE 11 Cb -0.33 -3.20 -0.06 0.00 0.51 0.00 0.00 43.02 39.95 2e9j s PHE 11 CO 0.28 -2.63 1.18 0.15 0.70 0.00 0.00 175.22 174.89 2e9j s LYS 12 N -4.74 4.45 -0.05 0.44 3.01 -1.26 -5.03 119.74 116.55 2e9j s LYS 12 Ca 0.65 1.74 -0.04 0.00 -1.01 0.00 0.00 55.97 57.31 2e9j s LYS 12 Cb -0.21 -3.35 0.02 0.00 -1.01 0.00 0.00 37.83 33.28 2e9j s LYS 12 CO 0.58 -0.22 0.14 0.08 0.51 0.00 0.00 175.35 176.44 2e9j s VAL 13 N 0.96 -0.01 -0.27 3.17 1.01 -1.26 -5.05 120.40 118.95 2e9j s VAL 13 Ca 0.58 0.03 0.18 0.00 0.00 0.00 0.00 61.98 62.76 2e9j s VAL 13 Cb -0.29 -0.21 0.49 0.00 0.00 0.00 0.00 36.38 36.38 2e9j s VAL 13 CO 0.30 0.01 1.13 1.17 0.00 0.00 0.00 175.10 177.71 2e9j n LYS 14 N 3.22 2.33 -4.09 2.72 3.00 -1.26 -5.06 118.16 119.02 2e9j n LYS 14 Ca -0.15 -3.73 -0.15 0.00 -0.00 0.00 0.00 58.31 54.28 2e9j n LYS 14 Cb 0.58 -1.82 -0.15 0.00 0.00 0.00 0.00 35.03 33.64 2e9j n LYS 14 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.40 177.54 2e9j s VAL 15 N -4.06 0.32 0.31 3.15 -7.23 -1.26 -5.13 120.40 106.50 2e9j s VAL 15 Ca 0.35 -0.16 -0.26 0.00 -1.81 0.00 0.00 61.98 60.10 2e9j s VAL 15 Cb 0.35 -0.29 -0.14 0.00 0.56 0.00 0.00 36.38 36.86 2e9j s VAL 15 CO -0.01 0.10 0.75 0.00 -0.31 0.00 0.00 175.10 175.63 2e9j n LEU 16 N 3.10 0.52 -4.77 1.32 -0.00 -1.26 -4.93 117.00 110.99 2e9j n LEU 16 Ca -0.14 1.08 -0.31 0.00 -0.00 0.00 0.00 56.01 56.64 2e9j n LEU 16 Cb 0.58 -1.15 0.09 0.00 -0.00 0.00 0.00 43.42 42.93 2e9j n LEU 16 CO 0.25 -2.23 0.70 -2.16 -0.00 0.00 0.00 177.39 173.95 2e9j s PRO 17 N -1.44 2.28 0.16 1.47 0.04 -1.26 -4.97 135.00 131.29 2e9j s PRO 17 Ca 0.61 1.18 0.13 0.00 0.04 0.00 0.00 61.00 62.96 2e9j s PRO 17 Cb -0.72 -1.90 -0.08 0.00 0.04 0.00 0.00 34.50 31.84 2e9j s PRO 17 CO 0.58 -1.62 1.21 1.15 0.04 0.00 0.00 177.00 178.36 2e9j h THR 18 N -1.07 1.05 -4.33 1.26 2.02 -1.94 -3.46 112.91 106.44 2e9j h THR 18 Ca -0.44 -2.58 -0.51 0.00 0.77 0.00 0.00 66.41 63.65 2e9j h THR 18 Cb 1.23 2.48 0.10 0.00 -1.74 0.00 0.00 68.15 70.22 2e9j h THR 18 CO 0.51 0.60 0.36 -0.72 0.37 0.00 0.00 175.52 176.64 2e9j s TYR 19 N -2.85 3.00 -0.26 3.16 1.13 -1.26 -4.69 117.35 115.58 2e9j s TYR 19 Ca 0.01 1.44 -0.02 0.00 -1.41 0.00 0.00 57.07 57.10 2e9j s TYR 19 Cb 0.09 -2.92 0.14 0.00 -1.10 0.00 0.00 41.96 38.17 2e9j s TYR 19 CO 0.79 -1.36 0.38 0.34 -2.51 0.00 0.00 175.55 173.19 2e9j s ASP 20 N -3.71 0.32 0.16 -0.18 2.15 -0.47 -4.97 116.67 109.97 2e9j s ASP 20 Ca 0.59 0.06 -0.22 0.00 0.43 0.00 0.00 52.55 53.40 2e9j s ASP 20 Cb -0.15 1.10 0.06 0.00 -0.30 0.00 0.00 42.92 43.63 2e9j s ASP 20 CO 0.55 -0.31 1.61 0.00 -0.17 0.00 0.00 175.17 176.85 2e9j h ALA 21 N 8.18 -0.15 -1.12 3.66 0.00 -1.84 0.24 119.26 128.23 2e9j h ALA 21 Ca -0.17 0.10 0.33 0.00 0.00 0.00 0.00 54.91 55.17 2e9j h ALA 21 Cb 1.14 0.64 -0.04 0.00 0.00 0.00 0.00 17.79 19.53 2e9j h ALA 21 CO 0.27 -0.70 0.87 0.77 0.00 0.00 0.00 179.25 180.46 2e9j h SER 22 N -0.25 0.00 -0.20 0.00 0.02 -1.91 0.66 113.55 111.88 2e9j h SER 22 Ca 0.17 0.00 -0.09 0.00 -0.84 0.00 0.00 61.79 61.02 2e9j h SER 22 Cb 0.52 0.00 -0.06 0.00 0.14 0.00 0.00 62.40 63.00 2e9j h SER 22 CO -0.50 0.00 0.12 0.29 -1.14 0.00 0.00 176.83 175.60 2e9j n LYS 23 N -4.02 1.37 -4.16 3.45 4.76 0.85 -4.77 118.16 115.63 2e9j n LYS 23 Ca 0.24 -0.66 -0.33 0.00 -2.87 0.00 0.00 58.31 54.69 2e9j n LYS 23 Cb 1.24 -1.32 -0.16 0.00 -1.84 0.00 0.00 35.03 32.95 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 -0.82 2.37 0.03 -0.18 1.01 0.23 -3.13 120.40 119.90 2e9j s VAL 24 Ca 0.12 -0.84 0.04 0.00 0.00 0.00 0.00 61.98 61.31 2e9j s VAL 24 Cb 0.10 -2.01 -0.02 0.00 0.00 0.00 0.00 36.38 34.45 2e9j s VAL 24 CO 0.03 0.52 -0.13 0.42 0.00 0.00 0.00 175.10 175.93 2e9j s THR 25 N 1.25 1.05 0.10 3.92 -4.23 -1.23 -5.03 115.64 111.46 2e9j s THR 25 Ca 0.03 -0.87 0.08 0.00 -1.18 0.00 0.00 61.69 59.75 2e9j s THR 25 Cb -0.14 -0.94 -0.03 0.00 1.34 0.00 0.00 72.50 72.73 2e9j s THR 25 CO -0.09 0.07 -0.20 0.00 -0.54 0.00 0.00 174.62 173.86 2e9j s ALA 26 N -0.71 1.73 0.21 3.99 0.00 -1.26 -1.49 121.76 124.23 2e9j s ALA 26 Ca 0.02 -1.21 -0.01 0.00 0.00 0.00 0.00 51.96 50.76 2e9j s ALA 26 Cb -0.07 -0.23 -0.04 0.00 0.00 0.00 0.00 23.12 22.78 2e9j s ALA 26 CO 0.01 0.34 0.16 -1.54 0.00 0.00 0.00 175.76 174.73 2e9j s SER 27 N -1.85 0.26 0.00 0.00 1.04 -0.20 -4.97 113.70 107.98 2e9j s SER 27 Ca 0.05 -1.40 0.00 0.00 0.48 0.00 0.00 55.95 55.09 2e9j s SER 27 Cb -0.10 0.40 0.00 0.00 0.10 0.00 0.00 66.02 66.42 2e9j s SER 27 CO 0.04 -0.87 0.00 0.61 0.98 0.00 0.00 173.24 174.00 2e9j n GLY 28 N -0.30 1.07 0.25 7.32 0.00 -1.26 -0.53 105.19 111.74 2e9j n GLY 28 Ca 0.02 -2.16 -0.11 0.00 0.00 0.00 0.00 46.02 43.78 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 0.00 0.80 -0.84 1.61 0.13 -1.98 -2.96 132.00 128.76 2e9j h PRO 29 Ca 0.00 -0.43 0.17 0.00 -0.87 0.00 0.00 66.00 64.88 2e9j h PRO 29 Cb 0.00 0.02 -0.06 0.00 0.13 0.00 0.00 31.00 31.09 2e9j h PRO 29 CO 0.00 1.06 0.56 0.78 -0.23 0.00 0.00 178.00 180.16 2e9j h GLY 30 N 0.88 0.86 1.44 1.56 0.00 -1.89 0.19 103.07 106.12 2e9j h GLY 30 Ca 0.05 -0.20 0.00 0.00 0.00 0.00 0.00 47.33 47.18 2e9j h GLY 30 CO 0.09 0.04 -0.52 1.41 0.00 0.00 0.00 176.54 177.56 2e9j h LEU 31 N 0.46 0.00 -6.17 3.11 3.38 -1.86 -3.48 115.31 110.75 2e9j h LEU 31 Ca 0.43 -0.04 -0.60 0.00 0.09 0.00 0.00 57.88 57.75 2e9j h LEU 31 Cb 0.96 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.71 2e9j h LEU 31 CO -0.16 0.02 0.59 -0.24 0.09 0.00 0.00 178.44 178.74 2e9j n SER 32 N -2.67 0.78 0.13 -0.43 2.88 0.68 -4.79 113.62 110.19 2e9j n SER 32 Ca 0.02 0.75 -0.01 0.00 -1.33 0.00 0.00 58.87 58.30 2e9j n SER 32 Cb 0.51 -0.62 0.12 0.00 -0.75 0.00 0.00 64.21 63.47 2e9j n SER 32 CO 0.00 0.00 0.00 0.77 -1.23 0.00 0.00 175.04 174.58 2e9j h SER 33 N 4.19 0.00 -0.06 -3.46 4.64 -1.90 -3.09 113.55 113.88 2e9j h SER 33 Ca -0.25 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.05 2e9j h SER 33 Cb 0.97 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.06 2e9j h SER 33 CO 0.71 0.67 0.01 1.88 -0.87 0.00 0.00 176.83 179.23 2e9j h TYR 34 N 0.00 0.15 0.00 4.77 -1.99 -1.94 -3.45 116.97 114.51 2e9j h TYR 34 Ca -0.01 -0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.72 2e9j h TYR 34 Cb 1.23 -0.05 0.00 0.00 2.00 0.00 0.00 36.73 39.91 2e9j h TYR 34 CO 0.00 0.15 0.00 0.41 -0.00 0.00 0.00 178.16 178.72 2e9j n GLY 35 N -1.35 4.56 3.46 3.88 0.00 -1.17 -4.91 105.19 109.67 2e9j n GLY 35 Ca -0.01 -1.32 -0.28 0.00 0.00 0.00 0.00 46.02 44.40 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 -2.02 2.64 -0.23 1.61 -7.23 -1.12 -4.81 120.40 109.25 2e9j s VAL 36 Ca 0.00 -1.73 -0.29 0.00 -1.81 0.00 0.00 61.98 58.15 2e9j s VAL 36 Cb 0.00 -2.24 -0.03 0.00 0.56 0.00 0.00 36.38 34.68 2e9j s VAL 36 CO 0.00 0.00 1.61 -2.16 -0.31 0.00 0.00 175.10 174.25 2e9j s PRO 37 N -2.39 3.78 1.30 4.82 0.04 -1.26 -0.70 135.00 140.58 2e9j s PRO 37 Ca 0.19 1.64 -0.17 0.00 0.04 0.00 0.00 61.00 62.70 2e9j s PRO 37 Cb -0.09 -4.04 0.33 0.00 0.04 0.00 0.00 34.50 30.73 2e9j s PRO 37 CO 0.10 -1.31 0.92 0.00 0.04 0.00 0.00 177.00 176.75 2e9j n ALA 38 N 8.49 -3.85 -3.77 8.56 0.00 -1.26 -3.15 120.51 125.53 2e9j n ALA 38 Ca 0.19 -1.49 -0.31 0.00 0.00 0.00 0.00 53.44 51.83 2e9j n ALA 38 Cb 0.45 -1.83 -0.06 0.00 0.00 0.00 0.00 19.45 18.02 2e9j n ALA 38 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 2e9j n SER 39 N -5.17 -1.05 -3.70 0.00 7.64 -1.21 -4.86 113.62 105.26 2e9j n SER 39 Ca 0.06 -0.93 -0.14 0.00 1.01 0.00 0.00 58.87 58.86 2e9j n SER 39 Cb 0.56 -1.18 -0.14 0.00 -1.01 0.00 0.00 64.21 62.43 2e9j n SER 39 CO 0.00 0.00 0.00 -0.22 -3.01 0.00 0.00 175.04 171.81 2e9j s LEU 40 N -5.72 0.22 -0.63 -3.43 1.98 -1.19 -5.03 118.68 104.87 2e9j s LEU 40 Ca 0.53 0.41 -0.26 0.00 -2.89 0.00 0.00 54.13 51.92 2e9j s LEU 40 Cb -0.31 0.47 -0.02 0.00 0.66 0.00 0.00 46.19 46.99 2e9j s LEU 40 CO 0.76 -0.20 1.87 -2.16 -1.89 0.00 0.00 176.35 174.73 2e9j s PRO 41 N 1.78 2.62 -0.11 0.98 0.04 -1.26 -4.27 135.00 134.78 2e9j s PRO 41 Ca -0.03 0.55 -0.04 0.00 0.04 0.00 0.00 61.00 61.51 2e9j s PRO 41 Cb -0.12 -4.44 -0.04 0.00 0.04 0.00 0.00 34.50 29.95 2e9j s PRO 41 CO -0.07 -2.78 0.07 0.54 0.04 0.00 0.00 177.00 174.80 2e9j s VAL 42 N 9.16 4.88 -0.03 -0.36 0.11 -0.89 -4.85 120.40 128.42 2e9j s VAL 42 Ca 0.67 -0.03 0.02 0.00 -2.93 0.00 0.00 61.98 59.72 2e9j s VAL 42 Cb -0.12 -3.10 0.00 0.00 -1.53 0.00 0.00 36.38 31.64 2e9j s VAL 42 CO 0.19 0.61 -0.09 1.51 -3.33 0.00 0.00 175.10 173.99 2e9j s ASP 43 N -0.89 1.19 0.58 3.54 -4.77 -1.26 -1.12 116.67 113.93 2e9j s ASP 43 Ca 0.14 -0.18 0.08 0.00 -3.30 0.00 0.00 52.55 49.29 2e9j s ASP 43 Cb -0.12 -0.34 0.08 0.00 -1.09 0.00 0.00 42.92 41.45 2e9j s ASP 43 CO 0.03 0.06 0.67 0.72 0.70 0.00 0.00 175.17 177.35 2e9j s PHE 44 N 0.24 1.38 -0.08 2.11 -0.71 -1.15 -4.57 117.98 115.20 2e9j s PHE 44 Ca -0.04 -0.79 0.01 0.00 -1.04 0.00 0.00 56.93 55.07 2e9j s PHE 44 Cb -0.09 -2.09 0.02 0.00 -1.21 0.00 0.00 43.02 39.65 2e9j s PHE 44 CO 0.01 -0.97 -0.09 0.00 -1.34 0.00 0.00 175.22 172.82 2e9j s ALA 45 N -2.73 1.16 -0.39 1.99 0.00 0.31 -3.03 121.76 119.07 2e9j s ALA 45 Ca 0.52 -0.38 -0.16 0.00 0.00 0.00 0.00 51.96 51.94 2e9j s ALA 45 Cb -0.04 -0.66 0.01 0.00 0.00 0.00 0.00 23.12 22.42 2e9j s ALA 45 CO 0.33 -0.11 0.40 0.42 0.00 0.00 0.00 175.76 176.81 2e9j s ILE 46 N 1.10 5.12 -0.26 0.00 1.01 0.36 -1.04 121.20 127.50 2e9j s ILE 46 Ca -0.07 -0.19 -0.07 0.00 0.00 0.00 0.00 60.65 60.32 2e9j s ILE 46 Cb -0.14 -3.95 -0.02 0.00 0.01 0.00 0.00 42.46 38.36 2e9j s ILE 46 CO -0.01 -0.29 0.07 -1.81 0.00 0.00 0.00 174.94 172.90 2e9j s ASP 47 N 1.77 5.09 -0.19 3.58 1.11 -0.56 -2.41 116.67 125.07 2e9j s ASP 47 Ca 0.12 -0.35 -0.04 0.00 0.18 0.00 0.00 52.55 52.45 2e9j s ASP 47 Cb -0.17 -1.91 -0.02 0.00 1.07 0.00 0.00 42.92 41.90 2e9j s ASP 47 CO 0.13 -0.08 -0.03 0.00 1.18 0.00 0.00 175.17 176.37 2e9j s ALA 48 N 1.58 2.94 -0.19 5.23 0.00 -1.25 -3.56 121.76 126.51 2e9j s ALA 48 Ca 0.05 -0.97 -0.15 0.00 0.00 0.00 0.00 51.96 50.89 2e9j s ALA 48 Cb -0.16 -1.65 -0.08 0.00 0.00 0.00 0.00 23.12 21.23 2e9j s ALA 48 CO 0.03 -0.07 -0.20 0.54 0.00 0.00 0.00 175.76 176.06 2e9j n ARG 49 N 4.09 0.52 -0.45 0.00 5.12 -1.26 -4.66 116.66 120.03 2e9j n ARG 49 Ca -0.17 0.38 0.07 0.00 -1.93 0.00 0.00 57.85 56.20 2e9j n ARG 49 Cb 0.52 -1.58 0.18 0.00 -1.16 0.00 0.00 32.46 30.42 2e9j n ARG 49 CO 0.00 0.00 0.00 -3.47 -1.93 0.00 0.00 177.63 172.23 2e9j n ASP 50 N -4.46 1.88 0.11 0.55 2.03 -1.26 -4.66 116.55 110.73 2e9j n ASP 50 Ca -0.23 -3.59 0.04 0.00 0.52 0.00 0.00 54.79 51.53 2e9j n ASP 50 Cb 0.54 -0.49 0.01 0.00 -0.72 0.00 0.00 41.12 40.45 2e9j n ASP 50 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2e9j h ALA 51 N 0.68 0.68 -0.55 -1.67 0.00 -1.75 -3.37 119.26 113.27 2e9j h ALA 51 Ca -0.01 -0.45 0.00 0.00 0.00 0.00 0.00 54.91 54.45 2e9j h ALA 51 Cb 1.02 0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.87 2e9j h ALA 51 CO 0.00 0.54 0.00 0.41 0.00 0.00 0.00 179.25 180.20 2e9j n GLY 52 N 1.26 1.47 3.29 0.00 0.00 -1.26 -1.36 105.19 108.58 2e9j n GLY 52 Ca -0.02 -0.67 -0.32 0.00 0.00 0.00 0.00 46.02 45.01 2e9j n GLY 52 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2e9j s GLU 53 N 0.00 3.22 0.16 1.61 2.12 -1.26 -4.97 118.70 119.58 2e9j s GLU 53 Ca 0.00 -0.78 -0.23 0.00 0.36 0.00 0.00 54.97 54.32 2e9j s GLU 53 Cb 0.00 -2.48 0.07 0.00 0.26 0.00 0.00 34.13 31.98 2e9j s GLU 53 CO 0.00 0.19 0.66 0.20 -0.54 0.00 0.00 175.26 175.76 2e9j s GLY 54 N 0.38 -0.52 -0.34 -1.50 0.00 -1.26 -4.59 107.32 99.49 2e9j s GLY 54 Ca -0.14 0.42 -0.30 0.00 0.00 0.00 0.00 44.72 44.70 2e9j s GLY 54 CO 0.07 0.14 2.27 -0.10 0.00 0.00 0.00 173.10 175.48 2e9j n LEU 55 N -0.38 2.64 -4.70 0.66 7.94 -1.26 -4.62 117.00 117.28 2e9j n LEU 55 Ca -0.14 0.11 -0.36 0.00 -1.11 0.00 0.00 56.01 54.51 2e9j n LEU 55 Cb 0.64 -1.46 -0.08 0.00 0.53 0.00 0.00 43.42 43.05 2e9j n LEU 55 CO 0.12 -0.89 -0.06 -0.22 -1.11 0.00 0.00 177.39 175.24 2e9j s LEU 56 N 8.89 4.20 0.14 -1.96 2.96 -1.26 -2.05 118.68 129.60 2e9j s LEU 56 Ca 1.04 0.38 0.05 0.00 -0.22 0.00 0.00 54.13 55.39 2e9j s LEU 56 Cb -0.48 -2.30 -0.04 0.00 0.50 0.00 0.00 46.19 43.87 2e9j s LEU 56 CO 0.38 0.07 -0.12 0.00 -1.32 0.00 0.00 176.35 175.36 2e9j s ALA 57 N 0.72 1.51 -0.32 5.97 0.00 -1.17 -5.05 121.76 123.42 2e9j s ALA 57 Ca 0.14 -1.41 -0.01 0.00 0.00 0.00 0.00 51.96 50.68 2e9j s ALA 57 Cb -0.13 -0.02 0.10 0.00 0.00 0.00 0.00 23.12 23.08 2e9j s ALA 57 CO 0.04 0.01 0.12 0.08 0.00 0.00 0.00 175.76 176.00 2e9j s VAL 58 N -2.74 0.86 -0.42 0.00 1.01 -1.26 -3.97 120.40 113.88 2e9j s VAL 58 Ca 0.13 -1.49 -0.13 0.00 0.00 0.00 0.00 61.98 60.50 2e9j s VAL 58 Cb -0.01 -1.65 0.04 0.00 0.00 0.00 0.00 36.38 34.76 2e9j s VAL 58 CO 0.02 -0.71 0.29 -1.58 0.00 0.00 0.00 175.10 173.12 2e9j s GLN 59 N 1.51 2.87 -0.21 2.72 0.74 -1.24 -5.00 119.66 121.05 2e9j s GLN 59 Ca 0.11 -1.18 -0.05 0.00 0.05 0.00 0.00 55.36 54.29 2e9j s GLN 59 Cb -0.18 -3.91 -0.02 0.00 1.10 0.00 0.00 33.01 30.00 2e9j s GLN 59 CO -0.23 -0.83 -0.01 0.42 -0.55 0.00 0.00 175.29 174.09 2e9j s ILE 60 N 1.59 3.79 0.26 -2.34 1.01 -1.26 -1.68 121.20 122.58 2e9j s ILE 60 Ca 0.03 -0.36 0.08 0.00 0.00 0.00 0.00 60.65 60.40 2e9j s ILE 60 Cb -0.21 -2.72 -0.05 0.00 0.01 0.00 0.00 42.46 39.49 2e9j s ILE 60 CO 0.07 0.42 -0.12 0.42 0.00 0.00 0.00 174.94 175.74 2e9j s THR 61 N 1.13 1.92 0.35 2.92 -4.23 -0.62 -2.55 115.64 114.56 2e9j s THR 61 Ca 0.02 -2.22 0.05 0.00 -1.18 0.00 0.00 61.69 58.36 2e9j s THR 61 Cb -0.14 -2.32 0.05 0.00 1.34 0.00 0.00 72.50 71.42 2e9j s THR 61 CO 0.01 -0.40 0.38 -0.90 -0.54 0.00 0.00 174.62 173.16 2e9j n ASP 62 N -0.55 1.70 -0.28 3.99 5.68 -1.18 -2.57 116.55 123.33 2e9j n ASP 62 Ca -0.06 -2.06 0.16 0.00 -0.50 0.00 0.00 54.79 52.33 2e9j n ASP 62 Cb 0.62 -0.14 0.43 0.00 -1.14 0.00 0.00 41.12 40.88 2e9j n ASP 62 CO 0.00 0.00 0.00 0.06 -1.33 0.00 0.00 177.20 175.93 2e9j h GLN 63 N 0.00 0.55 0.00 0.11 -0.00 -1.65 0.29 115.11 114.40 2e9j h GLN 63 Ca -0.19 -0.03 -0.10 0.00 -0.00 0.00 0.00 58.65 58.32 2e9j h GLN 63 Cb 0.78 -0.12 -0.01 0.00 -0.00 0.00 0.00 27.48 28.12 2e9j h GLN 63 CO 0.29 0.36 -0.50 1.49 -0.00 0.00 0.00 178.83 180.48 2e9j h GLU 64 N 0.56 0.00 -0.05 0.06 4.81 -1.94 -3.48 114.58 114.55 2e9j h GLU 64 Ca 0.50 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.73 2e9j h GLU 64 Cb 1.03 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.41 2e9j h GLU 64 CO -0.24 0.50 0.00 0.41 -0.73 0.00 0.00 179.01 178.94 2e9j n GLY 65 N 1.14 1.48 3.92 1.92 0.00 0.10 -5.10 105.19 108.66 2e9j n GLY 65 Ca 0.02 -0.21 -0.28 0.00 0.00 0.00 0.00 46.02 45.55 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 -1.64 3.52 0.16 1.61 1.02 -1.26 -4.76 119.74 118.39 2e9j s LYS 66 Ca 0.00 -0.33 -0.30 0.00 0.02 0.00 0.00 55.97 55.36 2e9j s LYS 66 Cb 0.00 -2.86 -0.08 0.00 -0.52 0.00 0.00 37.83 34.37 2e9j s LYS 66 CO 0.00 0.42 1.33 -1.25 -0.92 0.00 0.00 175.35 174.93 2e9j s PRO 67 N -3.20 4.37 0.13 -1.68 0.04 -1.26 -3.10 135.00 130.29 2e9j s PRO 67 Ca 0.38 2.04 0.08 0.00 0.04 0.00 0.00 61.00 63.55 2e9j s PRO 67 Cb -0.11 -3.22 -0.04 0.00 0.04 0.00 0.00 34.50 31.16 2e9j s PRO 67 CO 0.28 -0.32 -0.14 0.15 0.04 0.00 0.00 177.00 177.02 2e9j s LYS 68 N 0.39 1.95 -0.14 4.56 -0.14 -1.06 -5.01 119.74 120.28 2e9j s LYS 68 Ca 0.59 -1.15 -0.29 0.00 -1.36 0.00 0.00 55.97 53.76 2e9j s LYS 68 Cb -0.36 -2.18 -0.01 0.00 -1.68 0.00 0.00 37.83 33.59 2e9j s LYS 68 CO 0.35 0.48 1.16 0.50 -0.76 0.00 0.00 175.35 177.08 2e9j s ARG 69 N -2.31 4.30 0.08 1.68 3.52 -1.26 -4.78 118.95 120.18 2e9j s ARG 69 Ca 0.20 1.56 0.06 0.00 -0.13 0.00 0.00 55.73 57.43 2e9j s ARG 69 Cb -0.10 -3.65 -0.03 0.00 -1.56 0.00 0.00 34.95 29.60 2e9j s ARG 69 CO 0.12 -0.57 -0.16 0.00 -0.81 0.00 0.00 175.30 173.88 2e9j s ALA 70 N 2.89 1.35 -0.09 6.12 0.00 -1.26 -4.55 121.76 126.23 2e9j s ALA 70 Ca 0.52 -1.06 -0.03 0.00 0.00 0.00 0.00 51.96 51.39 2e9j s ALA 70 Cb -0.21 -0.14 -0.03 0.00 0.00 0.00 0.00 23.12 22.74 2e9j s ALA 70 CO 0.15 0.22 0.04 0.42 0.00 0.00 0.00 175.76 176.59 2e9j s ILE 71 N -1.23 4.59 -0.31 0.00 1.01 -0.18 -4.97 121.20 120.10 2e9j s ILE 71 Ca 0.00 -0.17 0.00 0.00 0.00 0.00 0.00 60.65 60.49 2e9j s ILE 71 Cb -0.10 -2.96 0.07 0.00 0.01 0.00 0.00 42.46 39.48 2e9j s ILE 71 CO 0.03 0.59 0.01 -0.69 0.00 0.00 0.00 174.94 174.88 2e9j s VAL 72 N -0.94 2.72 0.11 2.92 1.01 -1.26 -1.52 120.40 123.44 2e9j s VAL 72 Ca 0.14 -1.72 -0.15 0.00 0.00 0.00 0.00 61.98 60.25 2e9j s VAL 72 Cb -0.12 -2.69 -0.07 0.00 0.00 0.00 0.00 36.38 33.51 2e9j s VAL 72 CO 0.04 -0.27 0.54 -1.00 0.00 0.00 0.00 175.10 174.41 2e9j s HIS 73 N 1.14 3.67 -0.24 5.22 3.76 -0.43 -5.03 115.29 123.37 2e9j s HIS 73 Ca -0.01 1.10 -0.05 0.00 -0.15 0.00 0.00 55.06 55.94 2e9j s HIS 73 Cb -0.20 -2.38 -0.01 0.00 1.11 0.00 0.00 32.58 31.09 2e9j s HIS 73 CO -0.04 0.49 0.01 -0.51 -0.85 0.00 0.00 174.74 173.85 2e9j s ASP 74 N -1.51 4.72 -0.16 1.40 1.11 -1.26 -3.45 116.67 117.52 2e9j s ASP 74 Ca 0.34 -0.37 0.16 0.00 0.18 0.00 0.00 52.55 52.86 2e9j s ASP 74 Cb -0.16 -1.82 -0.23 0.00 1.07 0.00 0.00 42.92 41.78 2e9j s ASP 74 CO 0.18 -0.05 0.10 0.59 1.18 0.00 0.00 175.17 177.18 2e9j n ASN 75 N 4.85 0.64 -2.81 0.27 3.02 -1.26 -5.00 115.26 114.97 2e9j n ASN 75 Ca -0.17 0.00 -0.22 0.00 -0.03 0.00 0.00 54.58 54.16 2e9j n ASN 75 Cb 0.51 1.04 0.02 0.00 -0.61 0.00 0.00 39.78 40.73 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 -2.60 -3.85 -0.77 3.52 4.01 -1.26 -4.88 118.16 112.34 2e9j n LYS 76 Ca -0.26 0.95 0.06 0.00 -0.51 0.00 0.00 58.31 58.55 2e9j n LYS 76 Cb 1.01 -5.76 0.14 0.00 -0.51 0.00 0.00 35.03 29.92 2e9j n LYS 76 CO 0.00 0.00 0.00 -3.47 -1.11 0.00 0.00 177.40 172.82 2e9j n ASP 77 N -2.36 1.52 0.00 4.39 2.03 -1.26 -4.93 116.55 115.93 2e9j n ASP 77 Ca -0.16 -3.24 0.00 0.00 0.52 0.00 0.00 54.79 51.91 2e9j n ASP 77 Cb 0.65 -0.44 0.00 0.00 -0.72 0.00 0.00 41.12 40.60 2e9j n ASP 77 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2e9j n GLY 78 N -0.69 0.72 3.50 0.27 0.00 -1.26 -5.02 105.19 102.71 2e9j n GLY 78 Ca 0.14 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.92 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 -2.74 0.70 -0.17 2.61 -4.23 -1.26 -3.77 115.64 106.78 2e9j s THR 79 Ca 0.00 -2.00 -0.12 0.00 -1.18 0.00 0.00 61.69 58.39 2e9j s THR 79 Cb 0.00 -2.43 0.05 0.00 1.34 0.00 0.00 72.50 71.46 2e9j s THR 79 CO 0.00 0.00 0.42 -0.31 -0.54 0.00 0.00 174.62 174.19 2e9j s TYR 80 N -3.25 -0.56 -0.03 3.99 2.02 -1.01 -4.41 117.35 114.10 2e9j s TYR 80 Ca 0.26 1.25 0.02 0.00 -0.37 0.00 0.00 57.07 58.23 2e9j s TYR 80 Cb 0.04 0.23 -0.03 0.00 -0.40 0.00 0.00 41.96 41.80 2e9j s TYR 80 CO 0.15 -0.30 -0.06 0.00 -1.57 0.00 0.00 175.55 173.76 2e9j s ALA 81 N 0.92 3.02 -0.13 3.71 0.00 -1.22 -0.49 121.76 127.57 2e9j s ALA 81 Ca -0.06 -0.95 -0.02 0.00 0.00 0.00 0.00 51.96 50.93 2e9j s ALA 81 Cb -0.06 -1.19 0.04 0.00 0.00 0.00 0.00 23.12 21.91 2e9j s ALA 81 CO -0.07 0.60 0.03 0.08 0.00 0.00 0.00 175.76 176.39 2e9j s VAL 82 N -0.91 0.37 -0.02 0.00 1.01 -1.17 -1.32 120.40 118.37 2e9j s VAL 82 Ca 0.15 -0.17 -0.16 0.00 0.00 0.00 0.00 61.98 61.80 2e9j s VAL 82 Cb -0.11 -0.72 -0.05 0.00 0.00 0.00 0.00 36.38 35.49 2e9j s VAL 82 CO 0.05 0.02 0.43 -0.89 0.00 0.00 0.00 175.10 174.70 2e9j s THR 83 N 1.95 5.04 -0.15 3.92 2.01 -0.58 -2.92 115.64 124.91 2e9j s THR 83 Ca 0.02 0.89 -0.09 0.00 0.31 0.00 0.00 61.69 62.82 2e9j s THR 83 Cb -0.15 -3.75 0.05 0.00 0.01 0.00 0.00 72.50 68.67 2e9j s THR 83 CO -0.07 0.53 0.36 -0.72 -0.69 0.00 0.00 174.62 174.03 2e9j s TYR 84 N -0.73 -0.49 -0.34 4.92 -0.85 -0.28 -1.01 117.35 118.57 2e9j s TYR 84 Ca 0.24 1.10 -0.10 0.00 -0.52 0.00 0.00 57.07 57.80 2e9j s TYR 84 Cb -0.17 0.19 0.01 0.00 0.38 0.00 0.00 41.96 42.38 2e9j s TYR 84 CO 0.13 -0.28 0.17 0.42 -1.52 0.00 0.00 175.55 174.47 2e9j s ILE 85 N 1.05 4.48 -1.14 -3.49 1.01 -1.26 -2.09 121.20 119.76 2e9j s ILE 85 Ca -0.07 -0.71 -0.23 0.00 0.00 0.00 0.00 60.65 59.64 2e9j s ILE 85 Cb -0.07 -3.42 -0.08 0.00 0.01 0.00 0.00 42.46 38.90 2e9j s ILE 85 CO -0.08 -0.10 1.94 -2.16 0.00 0.00 0.00 174.94 174.53 2e9j s PRO 86 N 1.56 2.50 0.08 2.79 0.04 -1.26 -4.76 135.00 135.95 2e9j s PRO 86 Ca 0.03 -1.03 -0.21 0.00 0.04 0.00 0.00 61.00 59.83 2e9j s PRO 86 Cb -0.18 -5.22 -0.10 0.00 0.04 0.00 0.00 34.50 29.04 2e9j s PRO 86 CO 0.06 -3.89 1.59 -0.44 0.04 0.00 0.00 177.00 174.36 2e9j h ASP 87 N 9.97 0.25 -3.21 6.66 3.32 -1.96 -3.21 116.42 128.24 2e9j h ASP 87 Ca 0.20 -0.21 -0.45 0.00 0.02 0.00 0.00 57.03 56.59 2e9j h ASP 87 Cb 0.95 -0.07 0.09 0.00 0.22 0.00 0.00 39.33 40.52 2e9j h ASP 87 CO 1.22 0.39 0.19 -0.54 -1.72 0.00 0.00 179.24 178.78 2e9j s LYS 88 N -5.39 1.88 -0.07 3.56 1.02 -1.26 -4.83 119.74 114.65 2e9j s LYS 88 Ca -0.14 -0.57 0.02 0.00 0.02 0.00 0.00 55.97 55.30 2e9j s LYS 88 Cb 0.07 -2.21 0.01 0.00 -0.52 0.00 0.00 37.83 35.18 2e9j s LYS 88 CO 0.71 -1.39 -0.13 0.95 -0.92 0.00 0.00 175.35 174.57 2e9j s THR 89 N -3.25 1.18 0.00 2.17 -4.23 -1.26 -4.95 115.64 105.29 2e9j s THR 89 Ca 0.63 -0.50 0.00 0.00 -1.18 0.00 0.00 61.69 60.65 2e9j s THR 89 Cb -0.08 -1.08 0.00 0.00 1.34 0.00 0.00 72.50 72.68 2e9j s THR 89 CO 0.45 0.37 0.00 0.61 -0.54 0.00 0.00 174.62 175.51 2e9j n GLY 90 N 3.86 -0.35 3.39 3.99 0.00 -1.26 -4.95 105.19 109.86 2e9j n GLY 90 Ca -0.22 -0.03 -0.34 0.00 0.00 0.00 0.00 46.02 45.44 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 3.46 -0.17 1.61 1.70 -1.26 -4.07 118.95 120.21 2e9j s ARG 91 Ca 0.00 -0.63 -0.03 0.00 -0.47 0.00 0.00 55.73 54.61 2e9j s ARG 91 Cb 0.00 -2.80 -0.02 0.00 -0.57 0.00 0.00 34.95 31.56 2e9j s ARG 91 CO 0.00 0.12 -0.07 0.71 -1.08 0.00 0.00 175.30 174.98 2e9j s TYR 92 N 0.63 2.92 -0.13 5.89 2.02 0.77 -1.56 117.35 127.90 2e9j s TYR 92 Ca -0.05 -0.68 -0.02 0.00 -0.37 0.00 0.00 57.07 55.95 2e9j s TYR 92 Cb -0.15 -1.98 -0.02 0.00 -0.40 0.00 0.00 41.96 39.41 2e9j s TYR 92 CO 0.03 -0.31 -0.08 1.41 -1.57 0.00 0.00 175.55 175.02 2e9j s MET 93 N 0.82 3.44 -0.20 -0.62 1.75 -1.06 -1.98 119.30 121.44 2e9j s MET 93 Ca -0.02 -0.60 0.01 0.00 -1.25 0.00 0.00 55.69 53.83 2e9j s MET 93 Cb -0.15 -2.75 0.04 0.00 2.84 0.00 0.00 34.83 34.81 2e9j s MET 93 CO 0.01 0.28 -0.12 0.42 -0.65 0.00 0.00 175.02 174.95 2e9j s ILE 94 N 0.23 1.82 -0.79 10.11 1.01 -0.97 -1.58 121.20 131.02 2e9j s ILE 94 Ca -0.05 -1.09 -0.14 0.00 0.00 0.00 0.00 60.65 59.36 2e9j s ILE 94 Cb -0.15 -1.84 0.20 0.00 0.01 0.00 0.00 42.46 40.69 2e9j s ILE 94 CO 0.04 0.22 0.75 -0.83 0.00 0.00 0.00 174.94 175.11 2e9j s GLY 95 N 1.32 2.56 -0.29 6.18 0.00 -0.67 -0.01 107.32 116.41 2e9j s GLY 95 Ca -0.01 -3.19 -0.25 0.00 0.00 0.00 0.00 44.72 41.27 2e9j s GLY 95 CO -0.09 1.28 0.85 0.14 0.00 0.00 0.00 173.10 175.28 2e9j s VAL 96 N 0.46 4.76 0.10 1.40 1.01 -1.26 -3.72 120.40 123.15 2e9j s VAL 96 Ca 0.16 1.40 0.08 0.00 0.00 0.00 0.00 61.98 63.62 2e9j s VAL 96 Cb -0.13 -4.18 -0.04 0.00 0.00 0.00 0.00 36.38 32.03 2e9j s VAL 96 CO -0.07 -0.23 -0.16 0.42 0.00 0.00 0.00 175.10 175.05 2e9j s THR 97 N 3.03 2.97 -0.18 3.92 -4.23 -1.25 -3.33 115.64 116.57 2e9j s THR 97 Ca 0.35 -1.37 -0.05 0.00 -1.18 0.00 0.00 61.69 59.44 2e9j s THR 97 Cb -0.14 -2.35 0.06 0.00 1.34 0.00 0.00 72.50 71.42 2e9j s THR 97 CO 0.11 0.15 0.09 -0.47 -0.54 0.00 0.00 174.62 173.97 2e9j s TYR 98 N -1.11 0.25 -0.50 3.99 5.04 -0.52 -3.04 117.35 121.45 2e9j s TYR 98 Ca 0.18 -0.39 -0.02 0.00 -2.44 0.00 0.00 57.07 54.40 2e9j s TYR 98 Cb -0.11 -0.73 0.00 0.00 0.35 0.00 0.00 41.96 41.48 2e9j s TYR 98 CO 0.10 -0.54 0.43 0.41 -1.34 0.00 0.00 175.55 174.61 2e9j n GLY 99 N 5.26 0.27 2.40 8.97 0.00 -0.87 -3.29 105.19 117.93 2e9j n GLY 99 Ca -0.07 -0.29 -0.19 0.00 0.00 0.00 0.00 46.02 45.47 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 -1.07 -0.42 3.23 -0.02 0.00 -1.26 -4.94 105.19 100.71 2e9j n GLY 100 Ca -0.05 -0.08 -0.08 0.00 0.00 0.00 0.00 46.02 45.82 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 -2.18 -0.28 0.37 1.61 1.01 -1.21 -5.15 116.67 110.84 2e9j s ASP 101 Ca 0.02 0.90 -0.26 0.00 0.71 0.00 0.00 52.55 53.93 2e9j s ASP 101 Cb -0.01 1.41 -0.09 0.00 1.01 0.00 0.00 42.92 45.24 2e9j s ASP 101 CO 0.02 -0.24 1.09 -1.81 0.21 0.00 0.00 175.17 174.44 2e9j s ASP 102 N 2.63 6.84 0.70 0.27 1.11 -1.26 -1.44 116.67 125.52 2e9j s ASP 102 Ca 0.01 2.16 -0.13 0.00 0.18 0.00 0.00 52.55 54.78 2e9j s ASP 102 Cb -0.13 -2.60 0.02 0.00 1.07 0.00 0.00 42.92 41.28 2e9j s ASP 102 CO -0.14 -0.44 1.10 0.27 1.18 0.00 0.00 175.17 177.14 2e9j s ILE 103 N -1.47 3.33 -2.00 0.77 -4.36 -1.21 -4.87 121.20 111.39 2e9j s ILE 103 Ca 0.54 0.53 0.08 0.00 -0.26 0.00 0.00 60.65 61.55 2e9j s ILE 103 Cb -0.26 -3.05 0.24 0.00 1.25 0.00 0.00 42.46 40.63 2e9j s ILE 103 CO 0.33 -0.47 0.95 -0.81 0.24 0.00 0.00 174.94 175.18 2e9j n PRO 104 N -2.87 0.49 -0.01 0.37 -0.04 -1.26 -1.71 135.00 129.97 2e9j n PRO 104 Ca 0.10 0.00 0.01 0.00 -0.04 0.00 0.00 63.50 63.56 2e9j n PRO 104 Cb 0.52 -1.27 0.01 0.00 -0.04 0.00 0.00 33.50 32.73 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 -0.77 1.61 -4.64 1.53 4.77 -1.26 -5.03 117.00 113.21 2e9j n LEU 105 Ca 0.06 -1.50 -0.28 0.00 -0.03 0.00 0.00 56.01 54.27 2e9j n LEU 105 Cb 0.03 -0.01 -0.08 0.00 -2.33 0.00 0.00 43.42 41.02 2e9j n LEU 105 CO 0.05 0.39 -0.36 -0.94 -1.33 0.00 0.00 177.39 175.20 2e9j s SER 106 N -0.55 4.67 1.16 -1.43 1.04 -0.69 -4.25 113.70 113.64 2e9j s SER 106 Ca 0.02 -0.38 -0.13 0.00 0.48 0.00 0.00 55.95 55.94 2e9j s SER 106 Cb 0.01 -0.97 0.19 0.00 0.10 0.00 0.00 66.02 65.35 2e9j s SER 106 CO 0.02 0.12 0.68 -0.81 0.98 0.00 0.00 173.24 174.23 2e9j n PRO 107 N 0.18 -2.35 -4.82 4.02 -0.04 -1.26 -4.84 135.00 125.90 2e9j n PRO 107 Ca -0.11 -1.08 -0.33 0.00 -0.04 0.00 0.00 63.50 61.94 2e9j n PRO 107 Cb 0.54 -1.01 -0.14 0.00 -0.04 0.00 0.00 33.50 32.84 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 -2.22 2.78 -0.03 0.54 1.51 0.98 -4.87 117.35 116.04 2e9j s TYR 108 Ca 0.44 -0.63 -0.22 0.00 -1.01 0.00 0.00 57.07 55.65 2e9j s TYR 108 Cb -0.04 -1.81 -0.05 0.00 -0.11 0.00 0.00 41.96 39.95 2e9j s TYR 108 CO 0.34 -0.19 0.64 -0.98 -1.11 0.00 0.00 175.55 174.24 2e9j s ARG 109 N 0.26 4.38 -0.02 -0.62 1.70 -1.26 -2.29 118.95 121.10 2e9j s ARG 109 Ca -0.10 0.79 -0.21 0.00 -0.47 0.00 0.00 55.73 55.74 2e9j s ARG 109 Cb -0.16 -3.39 0.04 0.00 -0.57 0.00 0.00 34.95 30.87 2e9j s ARG 109 CO 0.06 0.24 0.45 0.42 -1.08 0.00 0.00 175.30 175.38 2e9j s ILE 110 N 0.24 0.04 -0.03 4.99 1.01 -0.84 -4.88 121.20 121.72 2e9j s ILE 110 Ca 0.33 -0.30 -0.03 0.00 0.00 0.00 0.00 60.65 60.65 2e9j s ILE 110 Cb -0.18 -0.78 0.01 0.00 0.01 0.00 0.00 42.46 41.52 2e9j s ILE 110 CO 0.17 -0.17 0.09 0.00 0.00 0.00 0.00 174.94 175.04 2e9j s ARG 111 N -1.36 0.13 0.31 2.79 1.70 -1.26 -0.16 118.95 121.09 2e9j s ARG 111 Ca -0.12 0.09 -0.27 0.00 -0.47 0.00 0.00 55.73 54.96 2e9j s ARG 111 Cb -0.03 0.06 -0.09 0.00 -0.57 0.00 0.00 34.95 34.32 2e9j s ARG 111 CO 0.06 -0.02 1.00 0.00 -1.08 0.00 0.00 175.30 175.26 2e9j s ALA 112 N -0.04 3.26 0.16 7.88 0.00 -1.26 -2.80 121.76 128.97 2e9j s ALA 112 Ca -0.01 0.66 -0.06 0.00 0.00 0.00 0.00 51.96 52.55 2e9j s ALA 112 Cb -0.01 -3.24 0.03 0.00 0.00 0.00 0.00 23.12 19.90 2e9j s ALA 112 CO 0.00 0.04 1.46 1.79 0.00 0.00 0.00 175.76 179.05 2e9j h THR 113 N 2.76 1.30 -5.99 0.00 1.35 -1.23 -3.45 112.91 107.66 2e9j h THR 113 Ca -0.47 -1.78 -0.42 0.00 -0.55 0.00 0.00 66.41 63.19 2e9j h THR 113 Cb 1.20 1.73 0.08 0.00 -1.73 0.00 0.00 68.15 69.43 2e9j h THR 113 CO 0.66 0.56 -0.71 1.67 -0.25 0.00 0.00 175.52 177.45 2e9j n GLN 114 N -3.97 -7.17 -2.80 4.72 0.00 -1.26 -4.98 117.38 101.92 2e9j n GLN 114 Ca -0.04 0.76 -0.28 0.00 -0.00 0.00 0.00 57.00 57.44 2e9j n GLN 114 Cb 0.62 -5.76 -0.01 0.00 0.00 0.00 0.00 30.24 25.09 2e9j n GLN 114 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.06 178.01 2e9j s THR 115 N -3.32 4.89 0.00 1.69 -4.23 -1.26 -5.04 115.64 108.37 2e9j s THR 115 Ca 0.59 0.29 0.00 0.00 -1.18 0.00 0.00 61.69 61.39 2e9j s THR 115 Cb -0.27 -3.81 0.00 0.00 1.34 0.00 0.00 72.50 69.75 2e9j s THR 115 CO 0.76 -0.69 0.00 0.61 -0.54 0.00 0.00 174.62 174.77 2e9j n GLY 116 N -1.82 4.69 3.74 3.99 0.00 -1.26 -4.93 105.19 109.59 2e9j n GLY 116 Ca 0.01 -1.15 -0.41 0.00 0.00 0.00 0.00 46.02 44.47 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 7.12 -0.45 1.61 2.15 -1.26 -4.98 116.67 120.86 2e9j s ASP 117 Ca 0.00 2.19 -0.28 0.00 0.43 0.00 0.00 52.55 54.89 2e9j s ASP 117 Cb 0.00 -2.60 0.03 0.00 -0.30 0.00 0.00 42.92 40.04 2e9j s ASP 117 CO 0.00 -0.35 1.07 0.00 -0.17 0.00 0.00 175.17 175.72 2e9j s ALA 118 N 0.00 3.23 -2.00 3.66 0.00 -1.26 -5.32 121.76 120.07 2e9j s ALA 118 Ca 0.53 -0.49 0.16 0.00 0.00 0.00 0.00 51.96 52.16 2e9j s ALA 118 Cb -0.32 -3.79 0.93 0.00 0.00 0.00 0.00 23.12 19.94 2e9j s ALA 118 CO 0.36 -2.08 1.34 -1.13 0.00 0.00 0.00 175.76 174.25