#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3mpf s PRO 2 N 0.00 3.13 0.42 3.23 0.04 -1.26 -4.92 135.00 135.64 3mpf s PRO 2 Ca 0.00 1.96 0.18 0.00 0.04 0.00 0.00 61.00 63.18 3mpf s PRO 2 Cb 0.00 -2.11 0.94 0.00 0.04 0.00 0.00 34.50 33.37 3mpf s PRO 2 CO 0.00 -1.11 1.88 -0.44 0.04 0.00 0.00 177.00 177.37 3mpf h ASP 3 N 1.24 0.00 -4.67 6.66 3.32 -2.03 -3.44 116.42 117.50 3mpf h ASP 3 Ca -0.50 0.00 -0.17 0.00 0.02 0.00 0.00 57.03 56.38 3mpf h ASP 3 Cb 1.29 0.00 -0.22 0.00 0.22 0.00 0.00 39.33 40.62 3mpf h ASP 3 CO 0.56 0.29 -0.58 -0.44 -1.72 0.00 0.00 179.24 177.35 3mpf s SER 4 N -6.59 0.06 -0.00 6.45 0.01 -1.26 -4.41 113.70 107.95 3mpf s SER 4 Ca -0.02 -0.19 0.01 0.00 1.31 0.00 0.00 55.95 57.06 3mpf s SER 4 Cb 0.13 0.17 -0.00 0.00 0.21 0.00 0.00 66.02 66.53 3mpf s SER 4 CO 0.67 -0.27 -0.03 -0.69 0.41 0.00 0.00 173.24 173.33 3mpf s VAL 5 N -1.05 0.27 -0.29 3.43 1.01 -0.23 -4.96 120.40 118.58 3mpf s VAL 5 Ca -0.11 -0.14 0.00 0.00 0.00 0.00 0.00 61.98 61.72 3mpf s VAL 5 Cb -0.07 -0.23 0.14 0.00 0.00 0.00 0.00 36.38 36.22 3mpf s VAL 5 CO 0.00 0.08 0.32 -0.62 0.00 0.00 0.00 175.10 174.88 3mpf s ASP 6 N -0.07 1.44 0.43 3.32 -1.08 -1.26 -1.21 116.67 118.24 3mpf s ASP 6 Ca 0.01 -0.70 0.30 0.00 -0.52 0.00 0.00 52.55 51.64 3mpf s ASP 6 Cb -0.01 0.62 1.33 0.00 -1.46 0.00 0.00 42.92 43.40 3mpf s ASP 6 CO -0.00 -0.38 1.89 -0.50 0.52 0.00 0.00 175.17 176.70 3mpf h TRP 7 N 8.23 0.00 -0.64 -5.34 4.06 -1.59 -2.55 115.95 118.13 3mpf h TRP 7 Ca -0.12 0.00 -0.04 0.00 2.06 0.00 0.00 58.89 60.79 3mpf h TRP 7 Cb 1.08 0.00 -0.03 0.00 -1.00 0.00 0.00 29.16 29.21 3mpf h TRP 7 CO 0.28 0.00 0.25 0.00 -3.56 0.00 0.00 178.44 175.41 3mpf h ARG 8 N 0.00 0.93 0.00 0.49 3.08 -1.93 -2.23 114.38 114.72 3mpf h ARG 8 Ca 0.00 -0.15 -0.02 0.00 0.07 0.00 0.00 59.98 59.88 3mpf h ARG 8 Cb 0.34 -0.16 -0.00 0.00 0.08 0.00 0.00 29.97 30.22 3mpf h ARG 8 CO 0.00 0.76 -0.10 0.93 -1.07 0.00 0.00 179.97 180.50 3mpf h GLU 9 N 0.92 0.00 -0.39 0.04 5.08 -1.86 -2.55 114.58 115.82 3mpf h GLU 9 Ca 0.22 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.58 3mpf h GLU 9 Cb 0.18 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.43 3mpf h GLU 9 CO -0.02 0.10 0.00 1.63 -1.00 0.00 0.00 179.01 179.72 3mpf n LYS 10 N -3.36 2.13 -1.63 2.33 4.01 -0.87 -4.95 118.16 115.82 3mpf n LYS 10 Ca -0.01 -1.73 -0.08 0.00 -0.51 0.00 0.00 58.31 55.98 3mpf n LYS 10 Cb 0.28 -1.42 -0.02 0.00 -0.51 0.00 0.00 35.03 33.35 3mpf n LYS 10 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 3mpf n GLY 11 N 1.30 0.61 0.94 0.72 0.00 -0.96 -4.92 105.19 102.88 3mpf n GLY 11 Ca 0.17 -0.61 0.09 0.00 0.00 0.00 0.00 46.02 45.68 3mpf n GLY 11 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3mpf s VAL 13 N -1.16 1.28 0.93 0.00 1.01 -1.26 -3.70 120.40 117.50 3mpf s VAL 13 Ca 0.32 -0.52 -0.14 0.00 0.00 0.00 0.00 61.98 61.65 3mpf s VAL 13 Cb 0.18 -1.20 0.16 0.00 0.00 0.00 0.00 36.38 35.52 3mpf s VAL 13 CO 0.25 0.40 1.21 0.42 0.00 0.00 0.00 175.10 177.38 3mpf s THR 14 N 1.03 1.96 0.70 3.92 -4.23 -1.26 -4.96 115.64 112.80 3mpf s THR 14 Ca -0.07 0.00 -0.17 0.00 -1.18 0.00 0.00 61.69 60.28 3mpf s THR 14 Cb -0.15 -2.89 0.02 0.00 1.34 0.00 0.00 72.50 70.82 3mpf s THR 14 CO -0.01 0.00 1.27 -1.83 -0.54 0.00 0.00 174.62 173.51 3mpf s GLU 15 N -5.59 2.27 0.28 3.99 1.03 -1.26 -4.93 118.70 114.49 3mpf s GLU 15 Ca 0.67 1.98 -0.30 0.00 0.03 0.00 0.00 54.97 57.36 3mpf s GLU 15 Cb -0.09 -1.82 -0.10 0.00 -0.80 0.00 0.00 34.13 31.31 3mpf s GLU 15 CO 0.52 -1.79 1.40 0.08 -1.33 0.00 0.00 175.26 174.14 3mpf s VAL 16 N -1.61 2.66 0.36 1.83 1.01 -1.26 -5.02 120.40 118.36 3mpf s VAL 16 Ca 0.80 0.58 0.07 0.00 0.00 0.00 0.00 61.98 63.44 3mpf s VAL 16 Cb -0.35 -3.37 -0.01 0.00 0.00 0.00 0.00 36.38 32.64 3mpf s VAL 16 CO 0.43 0.11 0.41 -0.54 0.00 0.00 0.00 175.10 175.50 3mpf s LYS 17 N -0.88 2.85 -0.22 2.72 -0.14 -1.26 -4.71 119.74 118.09 3mpf s LYS 17 Ca 0.56 -1.22 0.00 0.00 -1.36 0.00 0.00 55.97 53.95 3mpf s LYS 17 Cb -0.41 -2.62 0.06 0.00 -1.68 0.00 0.00 37.83 33.17 3mpf s LYS 17 CO 0.47 -0.01 -0.05 -0.47 -0.76 0.00 0.00 175.35 174.53 3mpf s TYR 18 N -2.29 2.29 -0.47 3.18 5.04 -1.26 -0.93 117.35 122.92 3mpf s TYR 18 Ca 0.45 -1.66 0.26 0.00 -2.44 0.00 0.00 57.07 53.69 3mpf s TYR 18 Cb -0.07 -1.54 0.81 0.00 0.35 0.00 0.00 41.96 41.51 3mpf s TYR 18 CO 0.29 -0.75 1.75 -0.56 -1.34 0.00 0.00 175.55 174.94 3mpf h GLN 19 N 7.98 0.00 0.00 4.97 3.07 -1.12 -3.47 115.11 126.54 3mpf h GLN 19 Ca -0.19 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.55 3mpf h GLN 19 Cb 1.08 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.64 3mpf h GLN 19 CO 0.41 0.00 0.00 0.41 0.09 0.00 0.00 178.83 179.74 3mpf n GLY 20 N 0.78 1.91 0.70 0.06 0.00 -1.26 -3.06 105.19 104.31 3mpf n GLY 20 Ca 0.04 -0.54 0.04 0.00 0.00 0.00 0.00 46.02 45.55 3mpf n GLY 20 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 3mpf n SER 21 N 0.00 1.95 -4.54 1.61 7.64 -1.26 -4.77 113.62 114.25 3mpf n SER 21 Ca 0.00 -2.13 -0.36 0.00 1.01 0.00 0.00 58.87 57.39 3mpf n SER 21 Cb 0.00 -0.33 -0.11 0.00 -1.01 0.00 0.00 64.21 62.75 3mpf n SER 21 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3mpf n GLY 23 N 4.27 4.18 1.16 0.00 0.00 0.52 -4.60 105.19 110.72 3mpf n GLY 23 Ca -0.16 -1.51 -0.03 0.00 0.00 0.00 0.00 46.02 44.32 3mpf n GLY 23 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3mpf n ALA 24 N 5.35 4.09 -0.31 4.61 0.00 -1.26 -2.79 120.51 130.19 3mpf n ALA 24 Ca 0.60 -2.95 0.05 0.00 0.00 0.00 0.00 53.44 51.14 3mpf n ALA 24 Cb 0.33 -0.77 0.24 0.00 0.00 0.00 0.00 19.45 19.25 3mpf n ALA 24 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 3mpf h SER 25 N 1.16 0.90 -0.85 0.00 4.64 -1.86 -0.28 113.55 117.25 3mpf h SER 25 Ca 0.20 0.01 0.12 0.00 -0.47 0.00 0.00 61.79 61.65 3mpf h SER 25 Cb 1.68 -0.18 -0.08 0.00 -0.31 0.00 0.00 62.40 63.51 3mpf h SER 25 CO 0.39 0.57 0.47 4.11 -0.87 0.00 0.00 176.83 181.50 3mpf h TRP 26 N 1.02 0.85 -0.29 4.77 5.08 -1.85 0.40 115.95 125.93 3mpf h TRP 26 Ca 0.40 0.03 -0.06 0.00 1.08 0.00 0.00 58.89 60.34 3mpf h TRP 26 Cb 0.25 -0.25 -0.01 0.00 -3.00 0.00 0.00 29.16 26.15 3mpf h TRP 26 CO -0.00 0.28 -0.07 0.00 -1.28 0.00 0.00 178.44 177.37 3mpf h ALA 27 N 1.51 0.40 -0.66 0.11 0.00 -1.41 -1.62 119.26 117.59 3mpf h ALA 27 Ca 0.44 -0.28 -0.07 0.00 0.00 0.00 0.00 54.91 55.00 3mpf h ALA 27 Cb 0.51 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 18.17 3mpf h ALA 27 CO -0.30 0.22 0.14 0.74 0.00 0.00 0.00 179.25 180.05 3mpf h PHE 28 N 0.32 1.12 -0.35 0.00 -1.00 -1.09 -1.42 116.94 114.52 3mpf h PHE 28 Ca 0.07 -0.14 0.02 0.00 2.81 0.00 0.00 57.97 60.73 3mpf h PHE 28 Cb 0.55 -0.31 -0.03 0.00 3.61 0.00 0.00 35.95 39.78 3mpf h PHE 28 CO 0.05 0.93 0.19 1.03 -1.61 0.00 0.00 178.31 178.90 3mpf h SER 29 N 0.98 0.30 0.08 2.17 0.87 -0.85 -1.14 113.55 115.96 3mpf h SER 29 Ca 0.20 0.01 -0.00 0.00 -1.23 0.00 0.00 61.79 60.77 3mpf h SER 29 Cb 0.39 -0.05 0.00 0.00 -0.44 0.00 0.00 62.40 62.30 3mpf h SER 29 CO 0.01 0.22 -0.04 0.00 -0.53 0.00 0.00 176.83 176.49 3mpf h ALA 30 N 1.17 -0.11 -0.57 6.23 0.00 -1.09 -2.20 119.26 122.69 3mpf h ALA 30 Ca 0.14 -0.09 -0.04 0.00 0.00 0.00 0.00 54.91 54.92 3mpf h ALA 30 Cb 0.03 0.04 -0.03 0.00 0.00 0.00 0.00 17.79 17.83 3mpf h ALA 30 CO -0.08 -0.49 0.18 -0.39 0.00 0.00 0.00 179.25 178.48 3mpf h VAL 31 N -0.26 1.22 -0.68 0.00 -1.51 -1.23 -2.02 116.25 111.77 3mpf h VAL 31 Ca -0.01 -0.74 0.03 0.00 -1.23 0.00 0.00 66.70 64.75 3mpf h VAL 31 Cb 0.22 0.59 -0.04 0.00 -2.13 0.00 0.00 31.29 29.93 3mpf h VAL 31 CO 0.02 0.28 0.43 1.23 -1.23 0.00 0.00 177.57 178.30 3mpf h GLY 32 N 0.97 0.97 0.98 5.19 0.00 -1.08 0.27 103.07 110.36 3mpf h GLY 32 Ca 0.19 -0.32 -0.06 0.00 0.00 0.00 0.00 47.33 47.13 3mpf h GLY 32 CO -0.01 0.28 0.04 0.00 0.00 0.00 0.00 176.54 176.85 3mpf h ALA 33 N 1.29 0.62 -0.31 3.60 0.00 -1.01 -2.99 119.26 120.45 3mpf h ALA 33 Ca 0.27 -0.25 -0.16 0.00 0.00 0.00 0.00 54.91 54.77 3mpf h ALA 33 Cb 0.01 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.62 3mpf h ALA 33 CO -0.10 0.38 -0.45 1.25 0.00 0.00 0.00 179.25 180.33 3mpf h LEU 34 N 0.65 0.86 -0.81 0.00 5.85 -1.04 -3.04 115.31 117.77 3mpf h LEU 34 Ca 0.14 -0.41 0.17 0.00 0.84 0.00 0.00 57.88 58.61 3mpf h LEU 34 Cb 0.44 -0.24 -0.10 0.00 0.37 0.00 0.00 40.66 41.12 3mpf h LEU 34 CO 0.02 1.17 0.33 -0.33 -0.34 0.00 0.00 178.44 179.29 3mpf h GLU 35 N 0.63 0.42 -0.50 1.25 5.08 -0.42 0.02 114.58 121.07 3mpf h GLU 35 Ca 0.04 -0.03 -0.08 0.00 -1.00 0.00 0.00 59.36 58.29 3mpf h GLU 35 Cb 1.02 -0.10 -0.02 0.00 0.50 0.00 0.00 28.75 30.15 3mpf h GLU 35 CO 0.10 0.28 -0.00 0.00 -1.00 0.00 0.00 179.01 178.39 3mpf h ALA 36 N 1.60 0.68 -0.54 3.43 0.00 -1.42 -2.36 119.26 120.65 3mpf h ALA 36 Ca 0.46 -0.29 -0.08 0.00 0.00 0.00 0.00 54.91 55.00 3mpf h ALA 36 Cb 0.76 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 18.34 3mpf h ALA 36 CO -0.45 0.49 0.02 1.96 0.00 0.00 0.00 179.25 181.27 3mpf h GLN 37 N 0.75 0.91 -0.76 0.00 1.08 -1.21 -1.22 115.11 114.67 3mpf h GLN 37 Ca 0.14 -0.25 -0.01 0.00 -1.45 0.00 0.00 58.65 57.08 3mpf h GLN 37 Cb 0.52 -0.10 -0.04 0.00 -0.05 0.00 0.00 27.48 27.82 3mpf h GLN 37 CO 0.03 0.89 0.44 1.25 -0.95 0.00 0.00 178.83 180.49 3mpf h LEU 38 N 0.84 0.93 0.02 1.46 5.85 -0.91 -0.36 115.31 123.13 3mpf h LEU 38 Ca 0.16 -0.08 0.01 0.00 0.84 0.00 0.00 57.88 58.81 3mpf h LEU 38 Cb 0.47 -0.23 -0.01 0.00 0.37 0.00 0.00 40.66 41.26 3mpf h LEU 38 CO 0.02 0.74 -0.04 0.50 -0.34 0.00 0.00 178.44 179.32 3mpf h LYS 39 N 1.04 -0.08 -0.95 1.25 3.11 -1.12 0.67 116.57 120.51 3mpf h LYS 39 Ca 0.27 0.01 0.05 0.00 -2.81 0.00 0.00 60.65 58.16 3mpf h LYS 39 Cb -0.00 0.02 -0.06 0.00 -1.00 0.00 0.00 32.23 31.18 3mpf h LYS 39 CO -0.05 -0.05 0.61 -0.07 -2.81 0.00 0.00 179.45 177.08 3mpf h LEU 40 N -0.08 1.00 0.14 5.20 4.07 -0.88 0.28 115.31 125.04 3mpf h LEU 40 Ca 0.01 0.00 -0.18 0.00 0.08 0.00 0.00 57.88 57.79 3mpf h LEU 40 Cb 0.09 -0.21 0.02 0.00 1.08 0.00 0.00 40.66 41.64 3mpf h LEU 40 CO -0.03 0.66 -0.79 0.50 -1.08 0.00 0.00 178.44 177.70 3mpf h LYS 41 N 1.15 0.29 0.00 1.13 3.64 -0.93 -3.40 116.57 118.45 3mpf h LYS 41 Ca 0.39 -0.50 0.00 0.00 -1.27 0.00 0.00 60.65 59.27 3mpf h LYS 41 Cb 0.07 0.19 0.00 0.00 -0.41 0.00 0.00 32.23 32.08 3mpf h LYS 41 CO -0.14 1.24 -1.01 0.25 -2.27 0.00 0.00 179.45 177.52 3mpf n THR 42 N -4.14 0.00 -0.66 1.00 -2.24 0.22 -5.00 114.28 103.45 3mpf n THR 42 Ca -0.14 -0.25 0.00 0.00 -2.27 0.00 0.00 64.05 61.39 3mpf n THR 42 Cb 0.81 0.64 0.00 0.00 -2.10 0.00 0.00 70.33 69.68 3mpf n THR 42 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3mpf n GLY 43 N 1.54 1.45 3.64 3.38 0.00 0.98 -5.02 105.19 111.17 3mpf n GLY 43 Ca 0.00 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.68 3mpf n GLY 43 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3mpf s LYS 44 N -0.08 3.73 -0.33 1.61 1.02 -1.26 -4.96 119.74 119.46 3mpf s LYS 44 Ca 0.00 -0.36 -0.12 0.00 0.02 0.00 0.00 55.97 55.51 3mpf s LYS 44 Cb 0.00 -3.10 -0.01 0.00 -0.52 0.00 0.00 37.83 34.20 3mpf s LYS 44 CO 0.00 0.38 0.22 -1.17 -0.92 0.00 0.00 175.35 173.86 3mpf s LEU 45 N 0.05 4.43 -0.02 3.17 2.96 -1.26 -3.23 118.68 124.77 3mpf s LEU 45 Ca 0.05 -0.47 0.00 0.00 -0.22 0.00 0.00 54.13 53.48 3mpf s LEU 45 Cb -0.12 -2.10 0.03 0.00 0.50 0.00 0.00 46.19 44.49 3mpf s LEU 45 CO 0.01 -0.23 0.01 0.54 -1.32 0.00 0.00 176.35 175.36 3mpf s VAL 46 N 1.69 0.10 0.18 1.68 0.11 -1.26 -5.09 120.40 117.81 3mpf s VAL 46 Ca 0.06 0.11 -0.31 0.00 -2.93 0.00 0.00 61.98 58.91 3mpf s VAL 46 Cb -0.17 -0.20 -0.10 0.00 -1.53 0.00 0.00 36.38 34.38 3mpf s VAL 46 CO 0.09 0.12 1.47 -0.44 -3.33 0.00 0.00 175.10 173.01 3mpf s SER 47 N 0.93 6.68 0.24 3.54 0.01 -1.26 -4.83 113.70 119.00 3mpf s SER 47 Ca -0.09 2.56 0.06 0.00 1.31 0.00 0.00 55.95 59.79 3mpf s SER 47 Cb -0.12 -2.60 -0.03 0.00 0.21 0.00 0.00 66.02 63.47 3mpf s SER 47 CO -0.02 -0.73 0.29 -0.76 0.41 0.00 0.00 173.24 172.43 3mpf s LEU 48 N 0.56 4.13 -0.65 2.44 1.43 -1.26 -0.96 118.68 124.36 3mpf s LEU 48 Ca 0.65 -0.04 -0.27 0.00 -1.03 0.00 0.00 54.13 53.43 3mpf s LEU 48 Cb -0.41 -2.67 0.03 0.00 0.03 0.00 0.00 46.19 43.17 3mpf s LEU 48 CO 0.35 -0.05 1.22 -0.55 0.23 0.00 0.00 176.35 177.56 3mpf s SER 49 N -3.85 6.31 0.34 2.29 0.15 -0.44 -4.15 113.70 114.35 3mpf s SER 49 Ca 0.34 -0.17 0.04 0.00 0.70 0.00 0.00 55.95 56.85 3mpf s SER 49 Cb -0.09 -2.55 0.62 0.00 -1.71 0.00 0.00 66.02 62.29 3mpf s SER 49 CO 0.27 -1.64 1.91 0.00 1.20 0.00 0.00 173.24 174.98 3mpf h ALA 50 N 9.76 1.41 -0.69 5.45 0.00 -1.86 -2.93 119.26 130.41 3mpf h ALA 50 Ca -0.26 -0.16 -0.05 0.00 0.00 0.00 0.00 54.91 54.43 3mpf h ALA 50 Cb 1.05 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 18.65 3mpf h ALA 50 CO 1.23 0.42 0.25 0.37 0.00 0.00 0.00 179.25 181.52 3mpf h GLN 51 N 0.57 1.05 -0.63 0.00 5.75 -1.86 -1.69 115.11 118.30 3mpf h GLN 51 Ca 0.13 -0.20 0.13 0.00 -0.15 0.00 0.00 58.65 58.56 3mpf h GLN 51 Cb 0.24 -0.17 -0.09 0.00 1.07 0.00 0.00 27.48 28.52 3mpf h GLN 51 CO -0.00 0.87 0.12 -0.97 -2.65 0.00 0.00 178.83 176.19 3mpf h ASN 52 N 1.02 -0.05 -0.17 -0.69 -0.00 -1.76 -0.15 115.58 113.78 3mpf h ASN 52 Ca 0.23 0.13 -0.04 0.00 -0.00 0.00 0.00 56.30 56.61 3mpf h ASN 52 Cb 0.24 0.18 -0.00 0.00 -0.00 0.00 0.00 38.32 38.74 3mpf h ASN 52 CO -0.01 -0.02 -0.06 -0.07 -0.00 0.00 0.00 177.43 177.26 3mpf h LEU 53 N 0.24 0.34 -0.71 0.34 3.38 -1.45 -1.26 115.31 116.18 3mpf h LEU 53 Ca 0.34 -0.39 0.08 0.00 0.09 0.00 0.00 57.88 58.00 3mpf h LEU 53 Cb 0.53 -0.09 -0.07 0.00 0.09 0.00 0.00 40.66 41.12 3mpf h LEU 53 CO -0.45 0.65 0.37 0.58 0.09 0.00 0.00 178.44 179.69 3mpf h VAL 54 N 0.03 0.89 0.01 1.22 2.07 -0.84 -0.20 116.25 119.42 3mpf h VAL 54 Ca 0.04 -0.22 -0.23 0.00 0.82 0.00 0.00 66.70 67.11 3mpf h VAL 54 Cb 0.51 0.18 -0.03 0.00 -1.52 0.00 0.00 31.29 30.44 3mpf h VAL 54 CO 0.02 0.12 -1.16 0.44 0.02 0.00 0.00 177.57 177.01 3mpf h ASP 55 N 0.65 0.03 0.00 0.57 3.32 -1.02 -3.40 116.42 116.57 3mpf h ASP 55 Ca 0.34 -0.04 -0.09 0.00 0.02 0.00 0.00 57.03 57.26 3mpf h ASP 55 Cb 0.32 -0.01 -0.02 0.00 0.22 0.00 0.00 39.33 39.84 3mpf h ASP 55 CO -0.24 1.03 -1.35 0.00 -1.72 0.00 0.00 179.24 176.96 3mpf s SER 57 N -3.58 7.08 0.00 0.00 0.15 -0.10 -4.91 113.70 112.35 3mpf s SER 57 Ca -0.03 -3.04 0.00 0.00 0.70 0.00 0.00 55.95 53.59 3mpf s SER 57 Cb 0.02 -2.37 0.00 0.00 -1.71 0.00 0.00 66.02 61.96 3mpf s SER 57 CO 0.21 -0.68 0.00 0.35 1.20 0.00 0.00 173.24 174.32 3mpf n THR 58 N 4.33 0.00 0.20 6.45 -2.24 -1.26 -4.49 114.28 117.27 3mpf n THR 58 Ca 0.33 0.00 0.05 0.00 -2.27 0.00 0.00 64.05 62.17 3mpf n THR 58 Cb 0.43 0.00 0.44 0.00 -2.10 0.00 0.00 70.33 69.09 3mpf n THR 58 CO 0.00 0.00 0.00 1.05 -0.57 0.00 0.00 175.07 175.55 3mpf h GLU 59 N 0.00 0.00 0.00 -0.78 9.09 -1.91 0.20 114.58 121.18 3mpf h GLU 59 Ca 0.00 0.00 -0.02 0.00 0.05 0.00 0.00 59.36 59.39 3mpf h GLU 59 Cb 0.00 0.00 -0.00 0.00 -1.65 0.00 0.00 28.75 27.10 3mpf h GLU 59 CO 0.00 0.31 -0.08 0.87 0.05 0.00 0.00 179.01 180.16 3mpf h LYS 60 N 0.00 0.00 -0.42 1.06 6.56 -1.94 -2.53 116.57 119.30 3mpf h LYS 60 Ca -0.00 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.59 3mpf h LYS 60 Cb 0.62 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 32.28 3mpf h LYS 60 CO 0.04 0.08 0.00 0.66 -2.06 0.00 0.00 179.45 178.17 3mpf n TYR 61 N -3.50 0.55 -0.98 -1.35 4.02 -0.02 -4.97 117.16 110.91 3mpf n TYR 61 Ca -0.02 -0.41 0.00 0.00 -0.01 0.00 0.00 57.90 57.47 3mpf n TYR 61 Cb 0.21 -0.01 0.00 0.00 -0.02 0.00 0.00 39.34 39.51 3mpf n TYR 61 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 3mpf n GLY 62 N 0.98 0.55 3.92 2.72 0.00 -0.89 -4.78 105.19 107.69 3mpf n GLY 62 Ca 0.16 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.89 3mpf n GLY 62 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3mpf s ASN 63 N -2.26 6.40 -0.20 1.61 0.01 -0.72 -4.83 114.94 114.96 3mpf s ASN 63 Ca 0.00 0.40 0.13 0.00 -0.71 0.00 0.00 52.86 52.68 3mpf s ASN 63 Cb 0.00 -2.01 0.43 0.00 0.41 0.00 0.00 41.25 40.08 3mpf s ASN 63 CO 0.00 0.02 1.20 0.29 -1.51 0.00 0.00 177.10 177.11 3mpf n LYS 64 N -0.32 1.69 0.00 -0.60 5.02 0.78 -3.56 118.16 121.16 3mpf n LYS 64 Ca -0.04 -3.27 0.00 0.00 -2.02 0.00 0.00 58.31 52.98 3mpf n LYS 64 Cb 0.53 -1.50 0.00 0.00 -0.02 0.00 0.00 35.03 34.04 3mpf n LYS 64 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3mpf n GLY 65 N -0.81 3.48 0.00 0.72 0.00 -1.21 -0.78 105.19 106.59 3mpf n GLY 65 Ca 0.21 0.24 0.09 0.00 0.00 0.00 0.00 46.02 46.56 3mpf n GLY 65 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3mpf n ASN 67 N -1.22 4.57 0.00 0.00 3.02 0.04 -0.36 115.26 121.30 3mpf n ASN 67 Ca 0.10 -2.92 0.00 0.00 -0.03 0.00 0.00 54.58 51.73 3mpf n ASN 67 Cb 0.13 -0.59 0.00 0.00 -0.61 0.00 0.00 39.78 38.71 3mpf n ASN 67 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3mpf n GLY 68 N 0.02 2.39 1.85 7.41 0.00 -1.04 -4.77 105.19 111.04 3mpf n GLY 68 Ca 0.24 -2.06 0.02 0.00 0.00 0.00 0.00 46.02 44.22 3mpf n GLY 68 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3mpf n GLY 69 N -0.02 0.31 3.38 -0.02 0.00 -1.26 -0.16 105.19 107.42 3mpf n GLY 69 Ca 0.00 -0.91 -0.31 0.00 0.00 0.00 0.00 46.02 44.80 3mpf n GLY 69 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3mpf s PHE 70 N -2.19 2.43 0.19 1.61 0.40 -1.26 -4.78 117.98 114.38 3mpf s PHE 70 Ca 0.15 -0.35 -0.07 0.00 -0.60 0.00 0.00 56.93 56.06 3mpf s PHE 70 Cb -0.00 -1.46 0.11 0.00 0.51 0.00 0.00 43.02 42.17 3mpf s PHE 70 CO -0.01 0.13 1.60 0.52 0.70 0.00 0.00 175.22 178.16 3mpf h MET 71 N 4.95 0.90 -0.58 0.44 2.86 -1.98 -2.66 114.93 118.86 3mpf h MET 71 Ca -0.46 -0.36 -0.03 0.00 -2.06 0.00 0.00 59.70 56.79 3mpf h MET 71 Cb 1.14 -0.04 -0.03 0.00 0.06 0.00 0.00 31.60 32.73 3mpf h MET 71 CO 0.46 1.01 0.25 1.79 1.06 0.00 0.00 176.91 181.48 3mpf h THR 72 N 0.78 1.22 0.00 2.22 1.35 -1.96 -0.49 112.91 116.03 3mpf h THR 72 Ca 0.11 -0.66 -0.07 0.00 -0.55 0.00 0.00 66.41 65.24 3mpf h THR 72 Cb 0.74 0.57 -0.01 0.00 -1.73 0.00 0.00 68.15 67.72 3mpf h THR 72 CO 0.06 0.26 -0.31 0.71 -0.25 0.00 0.00 175.52 175.98 3mpf h THR 73 N 0.80 0.62 -0.36 6.82 1.35 -1.86 -1.28 112.91 118.98 3mpf h THR 73 Ca 0.20 -1.57 -0.01 0.00 -0.55 0.00 0.00 66.41 64.48 3mpf h THR 73 Cb 0.17 2.07 -0.02 0.00 -1.73 0.00 0.00 68.15 68.64 3mpf h THR 73 CO -0.02 0.31 0.17 0.00 -0.25 0.00 0.00 175.52 175.73 3mpf h ALA 74 N 1.69 0.47 -0.53 6.62 0.00 -1.06 -0.65 119.26 125.79 3mpf h ALA 74 Ca -0.00 -0.11 0.01 0.00 0.00 0.00 0.00 54.91 54.81 3mpf h ALA 74 Cb 1.04 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 18.66 3mpf h ALA 74 CO 0.04 0.04 0.34 0.74 0.00 0.00 0.00 179.25 180.41 3mpf h PHE 75 N 0.45 0.65 -0.92 0.00 0.04 -0.74 -2.28 116.94 114.14 3mpf h PHE 75 Ca 0.12 0.02 -0.01 0.00 2.80 0.00 0.00 57.97 60.90 3mpf h PHE 75 Cb 0.13 -0.22 -0.04 0.00 2.20 0.00 0.00 35.95 38.02 3mpf h PHE 75 CO -0.01 0.40 0.55 0.37 -0.60 0.00 0.00 178.31 179.03 3mpf h GLN 76 N 0.70 1.25 -0.59 1.51 5.75 -1.05 -0.94 115.11 121.74 3mpf h GLN 76 Ca 0.20 -0.11 0.05 0.00 -0.15 0.00 0.00 58.65 58.63 3mpf h GLN 76 Cb -0.07 -0.26 -0.05 0.00 1.07 0.00 0.00 27.48 28.17 3mpf h GLN 76 CO -0.05 0.87 0.32 -0.92 -2.65 0.00 0.00 178.83 176.40 3mpf h TYR 77 N 1.27 0.59 -0.71 3.99 3.20 -0.83 0.80 116.97 125.28 3mpf h TYR 77 Ca 0.33 0.02 -0.07 0.00 3.14 0.00 0.00 58.73 62.15 3mpf h TYR 77 Cb -0.05 -0.18 -0.03 0.00 1.54 0.00 0.00 36.73 38.01 3mpf h TYR 77 CO 0.01 0.29 0.18 0.82 -1.64 0.00 0.00 178.16 177.82 3mpf h ILE 78 N 0.61 1.26 0.21 1.81 2.04 -0.72 0.23 117.51 122.96 3mpf h ILE 78 Ca 0.26 -0.97 -0.01 0.00 1.00 0.00 0.00 64.86 65.14 3mpf h ILE 78 Cb 0.14 0.52 0.00 0.00 -0.74 0.00 0.00 36.82 36.74 3mpf h ILE 78 CO -0.16 0.37 -0.10 0.40 0.00 0.00 0.00 178.15 178.66 3mpf h ILE 79 N 1.08 0.84 -0.74 -0.67 2.04 -0.92 -1.17 117.51 117.97 3mpf h ILE 79 Ca 0.23 -0.25 -0.03 0.00 1.00 0.00 0.00 64.86 65.80 3mpf h ILE 79 Cb 0.37 0.99 -0.03 0.00 -0.74 0.00 0.00 36.82 37.41 3mpf h ILE 79 CO 0.00 0.06 0.35 0.44 0.00 0.00 0.00 178.15 178.99 3mpf h ASP 80 N -0.40 0.98 1.21 1.72 3.32 -0.61 -2.56 116.42 120.08 3mpf h ASP 80 Ca -0.03 -0.14 0.00 0.00 0.02 0.00 0.00 57.03 56.88 3mpf h ASP 80 Cb 0.31 -0.25 0.00 0.00 0.22 0.00 0.00 39.33 39.61 3mpf h ASP 80 CO 0.05 0.85 0.00 -1.13 -1.72 0.00 0.00 179.24 177.29 3mpf h ASN 81 N 1.05 0.00 -2.78 6.45 -1.24 -0.53 -3.47 115.58 115.05 3mpf h ASN 81 Ca 0.25 0.00 -0.35 0.00 0.71 0.00 0.00 56.30 56.92 3mpf h ASN 81 Cb 0.14 0.00 -0.00 0.00 0.73 0.00 0.00 38.32 39.19 3mpf h ASN 81 CO -0.03 0.00 -0.46 0.29 -1.29 0.00 0.00 177.43 175.94 3mpf n LYS 82 N -2.49 -1.99 0.00 6.67 5.02 -0.51 -4.94 118.16 119.92 3mpf n LYS 82 Ca 0.03 0.83 0.00 0.00 -2.02 0.00 0.00 58.31 57.15 3mpf n LYS 82 Cb 0.35 -5.32 0.00 0.00 -0.02 0.00 0.00 35.03 30.04 3mpf n LYS 82 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3mpf n GLY 83 N -1.10 2.64 2.92 0.72 0.00 -0.82 -4.86 105.19 104.68 3mpf n GLY 83 Ca -0.18 -0.95 -0.11 0.00 0.00 0.00 0.00 46.02 44.78 3mpf n GLY 83 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 3mpf s ILE 84 N -2.00 0.02 0.67 -0.61 2.07 -0.61 -4.72 121.20 116.02 3mpf s ILE 84 Ca 0.00 -0.19 -0.11 0.00 -1.41 0.00 0.00 60.65 58.94 3mpf s ILE 84 Cb 0.00 -0.10 -0.01 0.00 0.13 0.00 0.00 42.46 42.48 3mpf s ILE 84 CO 0.00 -0.10 1.05 -1.81 -1.91 0.00 0.00 174.94 172.17 3mpf s ASP 85 N -0.30 5.73 0.65 4.50 1.01 -1.26 -0.78 116.67 126.22 3mpf s ASP 85 Ca -0.03 1.46 -0.15 0.00 0.71 0.00 0.00 52.55 54.54 3mpf s ASP 85 Cb -0.02 -2.40 -0.00 0.00 1.01 0.00 0.00 42.92 41.50 3mpf s ASP 85 CO -0.00 -1.20 1.10 -0.94 0.21 0.00 0.00 175.17 174.34 3mpf s SER 86 N -4.03 5.20 0.24 0.27 1.04 -1.09 -1.33 113.70 113.99 3mpf s SER 86 Ca 0.57 1.96 -0.07 0.00 0.48 0.00 0.00 55.95 58.89 3mpf s SER 86 Cb -0.12 -2.55 0.25 0.00 0.10 0.00 0.00 66.02 63.70 3mpf s SER 86 CO 0.54 -1.57 1.90 -0.78 0.98 0.00 0.00 173.24 174.31 3mpf h ASP 87 N 0.05 1.00 -0.56 7.02 1.82 -1.21 -1.89 116.42 122.67 3mpf h ASP 87 Ca -0.47 -0.02 0.05 0.00 -0.39 0.00 0.00 57.03 56.20 3mpf h ASP 87 Cb 1.24 -0.24 -0.05 0.00 0.68 0.00 0.00 39.33 40.97 3mpf h ASP 87 CO 0.55 0.71 0.30 0.00 -1.61 0.00 0.00 179.24 179.18 3mpf h ALA 88 N 1.35 0.72 0.00 -0.78 0.00 -1.93 -2.42 119.26 116.21 3mpf h ALA 88 Ca 0.35 0.02 -0.14 0.00 0.00 0.00 0.00 54.91 55.13 3mpf h ALA 88 Cb -0.06 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 17.61 3mpf h ALA 88 CO -0.10 -0.03 -0.67 0.66 0.00 0.00 0.00 179.25 179.12 3mpf h SER 89 N 0.58 0.00 -2.34 0.00 4.64 -1.88 -3.38 113.55 111.16 3mpf h SER 89 Ca 0.24 0.00 -0.59 0.00 -0.47 0.00 0.00 61.79 60.98 3mpf h SER 89 Cb 0.13 0.00 -0.40 0.00 -0.31 0.00 0.00 62.40 61.82 3mpf h SER 89 CO -0.16 0.67 -0.89 0.00 -0.87 0.00 0.00 176.83 175.58 3mpf n TYR 90 N -3.41 0.70 -1.58 4.77 4.19 -0.73 -5.01 117.16 116.09 3mpf n TYR 90 Ca 0.00 -3.70 -0.32 0.00 3.31 0.00 0.00 57.90 57.20 3mpf n TYR 90 Cb 0.74 -0.22 0.06 0.00 0.49 0.00 0.00 39.34 40.42 3mpf n TYR 90 CO 0.00 0.00 0.00 -1.25 0.91 0.00 0.00 176.86 176.52 3mpf s PRO 91 N -1.01 2.67 -0.11 2.98 0.04 -0.93 -4.53 135.00 134.11 3mpf s PRO 91 Ca 0.33 1.23 -0.27 0.00 0.04 0.00 0.00 61.00 62.34 3mpf s PRO 91 Cb 0.09 -1.94 -0.02 0.00 0.04 0.00 0.00 34.50 32.66 3mpf s PRO 91 CO -0.14 -1.33 0.88 -0.47 0.04 0.00 0.00 177.00 175.98 3mpf s TYR 92 N -2.65 3.50 -0.71 0.56 5.04 -1.26 -4.77 117.35 117.06 3mpf s TYR 92 Ca 0.63 1.41 0.06 0.00 -2.44 0.00 0.00 57.07 56.73 3mpf s TYR 92 Cb -0.18 -3.04 0.04 0.00 0.35 0.00 0.00 41.96 39.13 3mpf s TYR 92 CO 0.48 -0.15 0.65 1.63 -1.34 0.00 0.00 175.55 176.82 3mpf n LYS 93 N 4.76 0.23 -3.85 4.97 4.76 -1.26 -5.02 118.16 122.75 3mpf n LYS 93 Ca 0.05 -0.79 -0.29 0.00 -2.87 0.00 0.00 58.31 54.41 3mpf n LYS 93 Cb 0.49 -1.09 0.04 0.00 -1.84 0.00 0.00 35.03 32.64 3mpf n LYS 93 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 3mpf n ALA 94 N 0.23 -1.30 -3.21 7.82 0.00 -1.26 -4.98 120.51 117.81 3mpf n ALA 94 Ca 0.03 0.23 -0.11 0.00 0.00 0.00 0.00 53.44 53.60 3mpf n ALA 94 Cb 0.14 -4.67 -0.03 0.00 0.00 0.00 0.00 19.45 14.89 3mpf n ALA 94 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3mpf s MET 95 N -6.55 1.20 -0.05 0.00 0.23 -1.26 -4.44 119.30 108.43 3mpf s MET 95 Ca 0.64 -0.64 -0.30 0.00 -1.03 0.00 0.00 55.69 54.36 3mpf s MET 95 Cb -0.31 0.52 -0.03 0.00 -1.53 0.00 0.00 34.83 33.48 3mpf s MET 95 CO 0.81 -0.50 1.15 -0.51 -2.03 0.00 0.00 175.02 173.94 3mpf s ASP 96 N -2.79 7.11 0.31 -1.18 1.01 -1.26 -4.92 116.67 114.94 3mpf s ASP 96 Ca 0.03 1.76 0.04 0.00 0.71 0.00 0.00 52.55 55.10 3mpf s ASP 96 Cb 0.00 -2.56 -0.06 0.00 1.01 0.00 0.00 42.92 41.31 3mpf s ASP 96 CO -0.11 -0.52 0.03 -1.10 0.21 0.00 0.00 175.17 173.67 3mpf s GLN 97 N 1.99 1.60 0.65 8.23 -0.21 -1.26 -5.10 119.66 125.57 3mpf s GLN 97 Ca 0.54 -1.87 -0.16 0.00 0.02 0.00 0.00 55.36 53.89 3mpf s GLN 97 Cb -0.23 -0.91 -0.00 0.00 1.00 0.00 0.00 33.01 32.86 3mpf s GLN 97 CO 0.22 -0.13 1.16 -1.59 -2.12 0.00 0.00 175.29 172.83 3mpf s LYS 98 N -3.85 2.70 0.09 2.91 0.00 -1.26 -4.56 119.74 115.76 3mpf s LYS 98 Ca 0.34 1.62 -0.31 0.00 0.00 0.00 0.00 55.97 57.62 3mpf s LYS 98 Cb 0.07 -1.92 -0.08 0.00 0.00 0.00 0.00 37.83 35.91 3mpf s LYS 98 CO 0.14 -1.37 1.53 0.00 0.00 0.00 0.00 175.35 175.65 3mpf n GLN 100 N 4.82 0.93 -1.70 0.00 6.02 -1.26 -5.05 117.38 121.14 3mpf n GLN 100 Ca 0.14 -2.59 -0.44 0.00 -0.01 0.00 0.00 57.00 54.10 3mpf n GLN 100 Cb 0.41 -1.03 -0.02 0.00 1.02 0.00 0.00 30.24 30.62 3mpf n GLN 100 CO 0.00 0.00 0.00 0.98 -1.01 0.00 0.00 177.06 177.03 3mpf n TYR 101 N -0.60 2.48 -3.94 1.08 9.36 -1.26 -4.98 117.16 119.30 3mpf n TYR 101 Ca 0.13 0.31 -0.30 0.00 3.32 0.00 0.00 57.90 61.37 3mpf n TYR 101 Cb 0.81 -2.54 -0.16 0.00 -0.63 0.00 0.00 39.34 36.82 3mpf n TYR 101 CO 0.00 0.00 0.00 0.34 0.22 0.00 0.00 176.86 177.42 3mpf s ASP 102 N 0.51 3.27 0.50 2.98 -1.08 -1.26 -5.02 116.67 116.57 3mpf s ASP 102 Ca 0.68 -0.86 0.22 0.00 -0.52 0.00 0.00 52.55 52.08 3mpf s ASP 102 Cb -0.58 -1.10 1.29 0.00 -1.46 0.00 0.00 42.92 41.07 3mpf s ASP 102 CO 0.46 -0.18 1.97 0.77 0.52 0.00 0.00 175.17 178.72 3mpf h SER 103 N 8.03 0.12 0.28 -0.34 4.64 -2.00 -1.67 113.55 122.60 3mpf h SER 103 Ca -0.25 0.01 -0.03 0.00 -0.47 0.00 0.00 61.79 61.05 3mpf h SER 103 Cb 1.10 -0.02 -0.00 0.00 -0.31 0.00 0.00 62.40 63.17 3mpf h SER 103 CO 0.44 0.06 -0.12 0.11 -0.87 0.00 0.00 176.83 176.45 3mpf h LYS 104 N 0.13 0.00 -0.40 4.77 1.57 -2.02 -2.73 116.57 117.88 3mpf h LYS 104 Ca 0.29 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.07 3mpf h LYS 104 Cb 0.96 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.27 3mpf h LYS 104 CO -0.04 0.12 0.00 0.66 -0.57 0.00 0.00 179.45 179.62 3mpf n TYR 105 N -3.82 1.29 -1.69 -1.35 4.02 -0.63 -4.99 117.16 109.98 3mpf n TYR 105 Ca -0.02 -0.77 -0.45 0.00 -0.01 0.00 0.00 57.90 56.65 3mpf n TYR 105 Cb 0.22 -0.34 -0.04 0.00 -0.02 0.00 0.00 39.34 39.17 3mpf n TYR 105 CO 0.00 0.00 0.00 -2.13 -1.01 0.00 0.00 176.86 173.72 3mpf n ARG 106 N 0.10 2.41 -0.00 -0.72 0.63 -1.03 -2.68 116.66 115.36 3mpf n ARG 106 Ca 0.23 0.87 0.02 0.00 -0.92 0.00 0.00 57.85 58.05 3mpf n ARG 106 Cb 0.94 -2.69 -0.03 0.00 0.45 0.00 0.00 32.46 31.13 3mpf n ARG 106 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 3mpf n ALA 107 N 4.09 2.27 -2.96 5.13 0.00 0.04 -4.85 120.51 124.23 3mpf n ALA 107 Ca 0.17 -0.12 -0.10 0.00 0.00 0.00 0.00 53.44 53.39 3mpf n ALA 107 Cb 0.32 -0.16 -0.05 0.00 0.00 0.00 0.00 19.45 19.56 3mpf n ALA 107 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3mpf s ALA 108 N -2.12 -0.84 0.34 0.00 0.00 -1.11 -4.99 121.76 113.04 3mpf s ALA 108 Ca -0.01 -0.13 0.04 0.00 0.00 0.00 0.00 51.96 51.86 3mpf s ALA 108 Cb 0.03 0.68 -0.06 0.00 0.00 0.00 0.00 23.12 23.77 3mpf s ALA 108 CO 0.19 -0.64 0.06 0.95 0.00 0.00 0.00 175.76 176.32 3mpf s THR 109 N -3.82 1.25 -0.01 0.00 -4.23 -1.26 -1.58 115.64 105.99 3mpf s THR 109 Ca 0.04 -2.00 0.00 0.00 -1.18 0.00 0.00 61.69 58.55 3mpf s THR 109 Cb 0.02 -2.79 0.02 0.00 1.34 0.00 0.00 72.50 71.09 3mpf s THR 109 CO -0.11 0.00 0.01 0.00 -0.54 0.00 0.00 174.62 173.98 3mpf n SER 111 N 3.75 1.72 -3.71 0.00 7.64 0.01 -4.24 113.62 118.79 3mpf n SER 111 Ca -0.22 0.04 -0.06 0.00 1.01 0.00 0.00 58.87 59.64 3mpf n SER 111 Cb 0.54 -0.38 -0.01 0.00 -1.01 0.00 0.00 64.21 63.35 3mpf n SER 111 CO 0.00 0.00 0.00 -1.59 -3.01 0.00 0.00 175.04 170.44 3mpf s LYS 112 N -2.54 1.71 0.06 1.43 -2.85 -1.18 -5.02 119.74 111.35 3mpf s LYS 112 Ca -0.25 -0.97 0.00 0.00 -1.00 0.00 0.00 55.97 53.75 3mpf s LYS 112 Cb 0.08 0.56 -0.04 0.00 -2.06 0.00 0.00 37.83 36.37 3mpf s LYS 112 CO 0.70 -0.78 -0.05 1.52 0.10 0.00 0.00 175.35 176.84 3mpf s TYR 113 N -3.55 0.64 -0.06 1.78 -0.85 -1.26 -1.39 117.35 112.66 3mpf s TYR 113 Ca 0.12 -0.95 0.03 0.00 -0.52 0.00 0.00 57.07 55.75 3mpf s TYR 113 Cb -0.05 -0.42 0.01 0.00 0.38 0.00 0.00 41.96 41.88 3mpf s TYR 113 CO 0.07 -0.27 -0.14 0.99 -1.52 0.00 0.00 175.55 174.68 3mpf s THR 114 N -3.52 1.23 -0.14 -3.49 2.01 -0.28 -4.98 115.64 106.47 3mpf s THR 114 Ca 0.06 -0.56 -0.07 0.00 0.31 0.00 0.00 61.69 61.44 3mpf s THR 114 Cb 0.05 -1.10 -0.04 0.00 0.01 0.00 0.00 72.50 71.42 3mpf s THR 114 CO -0.07 0.37 0.10 -1.61 -0.69 0.00 0.00 174.62 172.72 3mpf s GLU 115 N 0.45 3.55 0.23 4.92 2.02 -1.26 -1.66 118.70 126.95 3mpf s GLU 115 Ca -0.11 -0.23 -0.01 0.00 0.02 0.00 0.00 54.97 54.63 3mpf s GLU 115 Cb -0.14 -3.15 -0.04 0.00 0.10 0.00 0.00 34.13 30.89 3mpf s GLU 115 CO 0.03 0.61 0.44 -0.51 0.02 0.00 0.00 175.26 175.85 3mpf s LEU 116 N -0.58 4.18 0.43 1.80 1.43 -0.52 -5.00 118.68 120.42 3mpf s LEU 116 Ca 0.12 0.47 -0.25 0.00 -1.03 0.00 0.00 54.13 53.44 3mpf s LEU 116 Cb -0.12 -3.25 -0.08 0.00 0.03 0.00 0.00 46.19 42.77 3mpf s LEU 116 CO 0.02 -0.09 1.26 -2.16 0.23 0.00 0.00 176.35 175.61 3mpf s PRO 117 N -3.44 3.86 0.05 1.29 0.04 -1.26 -4.49 135.00 131.05 3mpf s PRO 117 Ca 0.40 2.03 -0.34 0.00 0.04 0.00 0.00 61.00 63.13 3mpf s PRO 117 Cb -0.11 -2.63 -0.13 0.00 0.04 0.00 0.00 34.50 31.68 3mpf s PRO 117 CO 0.30 -0.54 1.73 0.98 0.04 0.00 0.00 177.00 179.51 3mpf n TYR 118 N -0.11 2.33 -0.97 0.56 4.19 -1.26 -2.81 117.16 119.08 3mpf n TYR 118 Ca 0.05 0.11 0.00 0.00 3.31 0.00 0.00 57.90 61.37 3mpf n TYR 118 Cb 0.45 -2.61 0.00 0.00 0.49 0.00 0.00 39.34 37.67 3mpf n TYR 118 CO 0.00 0.00 0.00 0.41 0.91 0.00 0.00 176.86 178.18 3mpf n GLY 119 N 3.91 0.92 3.46 2.98 0.00 0.82 -4.95 105.19 112.33 3mpf n GLY 119 Ca 0.19 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.78 3mpf n GLY 119 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3mpf s ARG 120 N -0.07 3.46 0.38 1.61 1.81 -1.12 -4.70 118.95 120.31 3mpf s ARG 120 Ca 0.00 -1.45 0.19 0.00 -1.72 0.00 0.00 55.73 52.74 3mpf s ARG 120 Cb 0.00 -4.76 0.69 0.00 -0.45 0.00 0.00 34.95 30.43 3mpf s ARG 120 CO 0.00 -1.82 1.74 0.93 -0.68 0.00 0.00 175.30 175.47 3mpf h GLU 121 N 9.12 0.00 -0.46 3.54 5.08 -1.90 -1.75 114.58 128.21 3mpf h GLU 121 Ca 0.03 0.00 -0.09 0.00 -1.00 0.00 0.00 59.36 58.31 3mpf h GLU 121 Cb 1.04 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.27 3mpf h GLU 121 CO 1.15 0.37 -0.06 0.38 -1.00 0.00 0.00 179.01 179.85 3mpf h ASP 122 N 0.00 0.84 -0.41 1.42 2.03 -2.00 -1.17 116.42 117.13 3mpf h ASP 122 Ca -0.00 -0.34 -0.14 0.00 -0.73 0.00 0.00 57.03 55.82 3mpf h ASP 122 Cb 0.89 -0.23 -0.01 0.00 -0.83 0.00 0.00 39.33 39.15 3mpf h ASP 122 CO 0.05 0.98 -0.26 0.58 -1.03 0.00 0.00 179.24 179.55 3mpf h VAL 123 N 0.68 1.27 -0.52 4.15 2.07 -1.92 -2.35 116.25 119.63 3mpf h VAL 123 Ca 0.12 -1.42 -0.00 0.00 0.82 0.00 0.00 66.70 66.22 3mpf h VAL 123 Cb 0.58 1.21 -0.03 0.00 -1.52 0.00 0.00 31.29 31.54 3mpf h VAL 123 CO 0.03 0.48 0.31 0.25 0.02 0.00 0.00 177.57 178.67 3mpf h LEU 124 N 0.79 0.63 -0.58 2.57 5.85 -1.27 -1.98 115.31 121.33 3mpf h LEU 124 Ca 0.09 -0.07 0.04 0.00 0.84 0.00 0.00 57.88 58.79 3mpf h LEU 124 Cb 0.83 -0.16 -0.04 0.00 0.37 0.00 0.00 40.66 41.66 3mpf h LEU 124 CO 0.07 0.51 0.33 0.50 -0.34 0.00 0.00 178.44 179.52 3mpf h LYS 125 N 0.70 0.62 -0.64 1.25 3.64 -1.05 -0.31 116.57 120.78 3mpf h LYS 125 Ca 0.19 -0.04 -0.01 0.00 -1.27 0.00 0.00 60.65 59.52 3mpf h LYS 125 Cb 0.00 -0.14 -0.03 0.00 -0.41 0.00 0.00 32.23 31.65 3mpf h LYS 125 CO -0.03 0.41 0.38 1.49 -2.27 0.00 0.00 179.45 179.42 3mpf h GLU 126 N 0.64 0.88 -0.37 1.90 4.81 -1.20 -1.15 114.58 120.08 3mpf h GLU 126 Ca 0.25 -0.09 -0.07 0.00 -0.13 0.00 0.00 59.36 59.32 3mpf h GLU 126 Cb 0.10 -0.18 -0.01 0.00 0.63 0.00 0.00 28.75 29.28 3mpf h GLU 126 CO -0.14 0.65 -0.05 0.00 -0.73 0.00 0.00 179.01 178.74 3mpf h ALA 127 N 1.19 0.51 -0.66 2.92 0.00 -0.95 0.01 119.26 122.27 3mpf h ALA 127 Ca 0.23 -0.28 -0.01 0.00 0.00 0.00 0.00 54.91 54.85 3mpf h ALA 127 Cb -0.00 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 17.62 3mpf h ALA 127 CO -0.04 0.32 0.39 0.28 0.00 0.00 0.00 179.25 180.20 3mpf h VAL 128 N 0.49 1.19 -0.23 0.00 2.07 -0.89 0.20 116.25 119.08 3mpf h VAL 128 Ca 0.10 -0.44 -0.10 0.00 0.82 0.00 0.00 66.70 67.08 3mpf h VAL 128 Cb 0.54 0.30 -0.00 0.00 -1.52 0.00 0.00 31.29 30.60 3mpf h VAL 128 CO 0.03 0.20 -0.23 0.00 0.02 0.00 0.00 177.57 177.59 3mpf h ALA 129 N 1.20 0.34 0.00 1.67 0.00 -1.08 -3.21 119.26 118.18 3mpf h ALA 129 Ca 0.24 -0.37 -0.16 0.00 0.00 0.00 0.00 54.91 54.61 3mpf h ALA 129 Cb -0.01 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 17.67 3mpf h ALA 129 CO -0.04 0.31 -2.02 0.09 0.00 0.00 0.00 179.25 177.58 3mpf n ASN 130 N -4.38 0.15 -0.07 0.00 3.02 -0.02 -4.67 115.26 109.29 3mpf n ASN 130 Ca -0.05 0.07 -0.10 0.00 -0.03 0.00 0.00 54.58 54.47 3mpf n ASN 130 Cb 0.43 1.31 -0.07 0.00 -0.61 0.00 0.00 39.78 40.84 3mpf n ASN 130 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 3mpf n LYS 131 N -2.55 0.35 0.00 3.52 4.01 0.65 -5.05 118.16 119.09 3mpf n LYS 131 Ca -0.15 0.08 0.00 0.00 -0.51 0.00 0.00 58.31 57.73 3mpf n LYS 131 Cb 0.82 -1.27 0.00 0.00 -0.51 0.00 0.00 35.03 34.07 3mpf n LYS 131 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 3mpf n GLY 132 N 2.79 0.80 3.66 0.72 0.00 -0.93 -4.97 105.19 107.26 3mpf n GLY 132 Ca -0.25 -2.06 -0.41 0.00 0.00 0.00 0.00 46.02 43.29 3mpf n GLY 132 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 3mpf n PRO 133 N -0.49 1.64 -5.16 1.61 -0.02 -1.26 -4.03 135.00 127.29 3mpf n PRO 133 Ca 0.00 0.59 -0.31 0.00 -2.02 0.00 0.00 63.50 61.75 3mpf n PRO 133 Cb 0.00 -2.22 -0.17 0.00 -0.02 0.00 0.00 33.50 31.09 3mpf n PRO 133 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 3mpf s VAL 134 N -1.23 1.96 0.12 -1.45 1.01 -0.59 -4.81 120.40 115.41 3mpf s VAL 134 Ca 0.62 -0.97 -0.30 0.00 0.00 0.00 0.00 61.98 61.33 3mpf s VAL 134 Cb -0.53 -1.69 -0.07 0.00 0.00 0.00 0.00 36.38 34.09 3mpf s VAL 134 CO 0.57 0.54 1.24 -0.44 0.00 0.00 0.00 175.10 177.01 3mpf s SER 135 N 0.31 7.03 0.05 3.32 0.01 0.02 -0.92 113.70 123.52 3mpf s SER 135 Ca -0.16 2.16 -0.01 0.00 1.31 0.00 0.00 55.95 59.25 3mpf s SER 135 Cb -0.17 -2.59 -0.04 0.00 0.21 0.00 0.00 66.02 63.43 3mpf s SER 135 CO 0.08 -0.47 -0.03 0.68 0.41 0.00 0.00 173.24 173.90 3mpf s VAL 136 N 0.65 0.24 0.10 3.43 -7.23 -0.48 -1.00 120.40 116.12 3mpf s VAL 136 Ca 0.58 -1.71 -0.02 0.00 -1.81 0.00 0.00 61.98 59.01 3mpf s VAL 136 Cb -0.32 -1.39 -0.05 0.00 0.56 0.00 0.00 36.38 35.18 3mpf s VAL 136 CO 0.32 -0.93 0.30 -0.83 -0.31 0.00 0.00 175.10 173.65 3mpf s GLY 137 N -2.76 2.21 0.08 2.32 0.00 -1.26 -0.76 107.32 107.16 3mpf s GLY 137 Ca 0.05 -0.69 0.01 0.00 0.00 0.00 0.00 44.72 44.09 3mpf s GLY 137 CO -0.09 -0.64 -0.06 -1.34 0.00 0.00 0.00 173.10 170.97 3mpf s VAL 138 N -1.59 0.58 -0.68 1.40 -7.23 0.17 -3.84 120.40 109.20 3mpf s VAL 138 Ca 0.38 -1.80 -0.24 0.00 -1.81 0.00 0.00 61.98 58.52 3mpf s VAL 138 Cb -0.13 -1.51 0.06 0.00 0.56 0.00 0.00 36.38 35.37 3mpf s VAL 138 CO 0.26 -0.84 1.04 -0.62 -0.31 0.00 0.00 175.10 174.64 3mpf s ASP 139 N -2.83 6.18 0.00 4.85 2.15 0.06 -1.15 116.67 125.93 3mpf s ASP 139 Ca 0.08 -0.89 0.21 0.00 0.43 0.00 0.00 52.55 52.38 3mpf s ASP 139 Cb 0.04 -2.45 0.48 0.00 -0.30 0.00 0.00 42.92 40.69 3mpf s ASP 139 CO -0.05 -1.53 1.41 0.00 -0.17 0.00 0.00 175.17 174.83 3mpf n ALA 140 N 8.08 2.37 -1.74 3.66 0.00 -1.26 -4.74 120.51 126.88 3mpf n ALA 140 Ca -0.02 -1.12 -0.39 0.00 0.00 0.00 0.00 53.44 51.92 3mpf n ALA 140 Cb 0.46 -0.81 -0.02 0.00 0.00 0.00 0.00 19.45 19.08 3mpf n ALA 140 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3mpf n ARG 141 N 1.40 4.25 -3.72 0.00 1.74 -1.26 -4.69 116.66 114.37 3mpf n ARG 141 Ca 0.20 -3.00 -0.12 0.00 -0.77 0.00 0.00 57.85 54.16 3mpf n ARG 141 Cb 0.58 -2.68 -0.13 0.00 -1.02 0.00 0.00 32.46 29.21 3mpf n ARG 141 CO 0.00 0.00 0.00 -1.01 -1.52 0.00 0.00 177.63 175.10 3mpf s HIS 142 N -0.01 -0.35 0.40 -1.55 3.76 -1.26 -5.04 115.29 111.23 3mpf s HIS 142 Ca 0.60 0.83 0.18 0.00 -0.15 0.00 0.00 55.06 56.52 3mpf s HIS 142 Cb 0.19 0.06 1.10 0.00 1.11 0.00 0.00 32.58 35.04 3mpf s HIS 142 CO -0.08 -0.24 1.79 -1.35 -0.85 0.00 0.00 174.74 174.00 3mpf h PRO 143 N 7.22 0.38 -0.60 8.40 0.11 -2.00 0.12 132.00 145.64 3mpf h PRO 143 Ca -0.40 -0.02 0.06 0.00 0.11 0.00 0.00 66.00 65.75 3mpf h PRO 143 Cb 1.16 -0.09 -0.04 0.00 0.11 0.00 0.00 31.00 32.14 3mpf h PRO 143 CO 0.36 0.25 0.40 0.66 -0.21 0.00 0.00 178.00 179.47 3mpf h SER 144 N 0.39 0.50 0.13 -2.05 4.64 -1.96 0.10 113.55 115.31 3mpf h SER 144 Ca 0.57 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.89 3mpf h SER 144 Cb 1.46 -0.10 0.00 0.00 -0.31 0.00 0.00 62.40 63.45 3mpf h SER 144 CO -0.27 0.32 -0.06 0.15 -0.87 0.00 0.00 176.83 176.10 3mpf h PHE 145 N 0.57 -0.17 0.00 4.77 3.57 -1.28 -2.34 116.94 122.06 3mpf h PHE 145 Ca 0.26 -0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.76 3mpf h PHE 145 Cb 0.30 0.06 0.00 0.00 2.79 0.00 0.00 35.95 39.10 3mpf h PHE 145 CO -0.00 0.17 -0.07 1.97 -2.23 0.00 0.00 178.31 178.15 3mpf n PHE 146 N -5.02 0.41 1.19 0.41 1.16 -1.07 -2.62 117.46 111.92 3mpf n PHE 146 Ca -0.09 0.12 0.13 0.00 -1.87 0.00 0.00 57.45 55.75 3mpf n PHE 146 Cb 0.22 -0.67 0.45 0.00 -1.61 0.00 0.00 39.48 37.86 3mpf n PHE 146 CO 0.00 0.00 0.00 1.28 -1.87 0.00 0.00 176.76 176.17 3mpf n LEU 147 N -1.85 0.54 -4.68 5.98 4.32 0.34 -4.92 117.00 116.72 3mpf n LEU 147 Ca 0.06 0.02 -0.45 0.00 -0.02 0.00 0.00 56.01 55.62 3mpf n LEU 147 Cb 0.38 -0.24 -0.04 0.00 -1.62 0.00 0.00 43.42 41.91 3mpf n LEU 147 CO 0.29 0.11 1.20 0.00 -1.22 0.00 0.00 177.39 177.78 3mpf n TYR 148 N -1.13 2.39 -0.05 -1.77 4.19 -0.88 -4.91 117.16 115.00 3mpf n TYR 148 Ca 0.10 0.25 -0.10 0.00 3.31 0.00 0.00 57.90 61.46 3mpf n TYR 148 Cb 0.32 -2.56 -0.04 0.00 0.49 0.00 0.00 39.34 37.55 3mpf n TYR 148 CO 0.00 0.00 0.00 0.54 0.91 0.00 0.00 176.86 178.31 3mpf n ARG 149 N 3.22 0.23 -3.75 2.98 5.12 -1.26 -3.12 116.66 120.08 3mpf n ARG 149 Ca 0.15 0.09 -0.06 0.00 -1.93 0.00 0.00 57.85 56.10 3mpf n ARG 149 Cb 0.31 -0.95 -0.02 0.00 -1.16 0.00 0.00 32.46 30.65 3mpf n ARG 149 CO 0.00 0.00 0.00 -1.54 -1.93 0.00 0.00 177.63 174.16 3mpf s SER 150 N -5.70 -0.25 0.00 0.55 1.04 -1.26 -3.30 113.70 104.77 3mpf s SER 150 Ca -0.14 -0.41 0.00 0.00 0.48 0.00 0.00 55.95 55.87 3mpf s SER 150 Cb 0.05 0.58 0.00 0.00 0.10 0.00 0.00 66.02 66.75 3mpf s SER 150 CO 0.19 -1.05 0.00 0.61 0.98 0.00 0.00 173.24 173.98 3mpf n GLY 151 N -0.44 -1.76 3.67 7.32 0.00 -1.26 -4.84 105.19 107.88 3mpf n GLY 151 Ca -0.06 -1.63 -0.37 0.00 0.00 0.00 0.00 46.02 43.96 3mpf n GLY 151 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3mpf s VAL 152 N 0.00 5.32 -0.16 1.61 1.01 -1.26 -4.23 120.40 122.68 3mpf s VAL 152 Ca 0.00 0.35 -0.27 0.00 0.00 0.00 0.00 61.98 62.06 3mpf s VAL 152 Cb 0.00 -3.57 -0.01 0.00 0.00 0.00 0.00 36.38 32.80 3mpf s VAL 152 CO 0.00 0.33 0.91 -0.47 0.00 0.00 0.00 175.10 175.86 3mpf s TYR 153 N 1.06 3.43 -0.04 5.22 5.04 0.98 -4.87 117.35 128.17 3mpf s TYR 153 Ca 0.11 1.37 0.00 0.00 -2.44 0.00 0.00 57.07 56.12 3mpf s TYR 153 Cb -0.14 -3.10 0.03 0.00 0.35 0.00 0.00 41.96 39.10 3mpf s TYR 153 CO 0.05 -0.27 -0.01 -0.47 -1.34 0.00 0.00 175.55 173.51 3mpf s TYR 154 N 2.27 0.47 -0.25 4.97 5.04 -1.26 -1.18 117.35 127.42 3mpf s TYR 154 Ca 0.42 -0.07 0.00 0.00 -2.44 0.00 0.00 57.07 54.98 3mpf s TYR 154 Cb -0.17 -0.54 0.07 0.00 0.35 0.00 0.00 41.96 41.67 3mpf s TYR 154 CO 0.13 -0.18 -0.02 -2.00 -1.34 0.00 0.00 175.55 172.14 3mpf s GLU 155 N 1.19 1.38 0.45 4.97 2.56 -1.26 -5.02 118.70 122.97 3mpf s GLU 155 Ca -0.07 -1.00 0.22 0.00 0.00 0.00 0.00 54.97 54.11 3mpf s GLU 155 Cb -0.13 -2.51 1.20 0.00 2.00 0.00 0.00 34.13 34.68 3mpf s GLU 155 CO -0.02 -0.68 1.85 -1.35 -0.56 0.00 0.00 175.26 174.51 3mpf h PRO 156 N 7.98 0.29 -0.01 4.30 0.11 -2.05 -1.47 132.00 141.15 3mpf h PRO 156 Ca -0.16 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.93 3mpf h PRO 156 Cb 1.07 -0.06 0.00 0.00 0.11 0.00 0.00 31.00 32.11 3mpf h PRO 156 CO 0.42 0.19 -0.01 0.43 -0.21 0.00 0.00 178.00 178.81 3mpf n SER 157 N -4.46 0.52 -4.76 -2.05 7.64 -1.26 -4.92 113.62 104.32 3mpf n SER 157 Ca 0.20 -1.08 -0.37 0.00 1.01 0.00 0.00 58.87 58.63 3mpf n SER 157 Cb 0.80 -0.02 0.01 0.00 -1.01 0.00 0.00 64.21 63.99 3mpf n SER 157 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3mpf s THR 159 N -1.48 2.19 -2.38 0.00 -4.23 -1.26 -4.74 115.64 103.74 3mpf s THR 159 Ca 0.66 -1.72 0.24 0.00 -1.18 0.00 0.00 61.69 59.69 3mpf s THR 159 Cb -0.32 -2.91 0.50 0.00 1.34 0.00 0.00 72.50 71.11 3mpf s THR 159 CO 0.38 0.00 1.64 0.00 -0.54 0.00 0.00 174.62 176.10 3mpf n GLN 160 N -1.25 1.70 -3.06 3.99 6.02 -1.26 -2.73 117.38 120.79 3mpf n GLN 160 Ca -0.02 -1.04 -0.42 0.00 -0.01 0.00 0.00 57.00 55.51 3mpf n GLN 160 Cb 0.65 -1.44 -0.06 0.00 1.02 0.00 0.00 30.24 30.41 3mpf n GLN 160 CO 0.00 0.00 0.00 -0.80 -1.01 0.00 0.00 177.06 175.25 3mpf s ASN 161 N -1.77 6.45 0.27 1.08 0.02 -1.26 -4.41 114.94 115.33 3mpf s ASN 161 Ca 0.35 0.14 -0.10 0.00 -1.02 0.00 0.00 52.86 52.23 3mpf s ASN 161 Cb 0.19 -2.35 -0.07 0.00 0.02 0.00 0.00 41.25 39.04 3mpf s ASN 161 CO 0.30 -0.68 0.61 0.68 0.02 0.00 0.00 177.10 178.03 3mpf s VAL 162 N 2.88 4.88 0.00 1.60 -7.23 -1.26 -4.27 120.40 117.00 3mpf s VAL 162 Ca 0.27 0.52 0.00 0.00 -1.81 0.00 0.00 61.98 60.95 3mpf s VAL 162 Cb -0.14 -3.64 0.00 0.00 0.56 0.00 0.00 36.38 33.16 3mpf s VAL 162 CO 0.16 -0.17 0.23 -0.46 -0.31 0.00 0.00 175.10 174.55 3mpf n ASN 163 N -0.41 0.00 -3.69 4.85 0.23 -0.30 -4.90 115.26 111.04 3mpf n ASN 163 Ca 0.01 -1.00 -0.11 0.00 -0.53 0.00 0.00 54.58 52.95 3mpf n ASN 163 Cb 0.53 0.00 -0.11 0.00 -2.08 0.00 0.00 39.78 38.12 3mpf n ASN 163 CO 0.00 0.00 0.00 -2.28 -0.93 0.00 0.00 177.26 174.05 3mpf s HIS 164 N 0.00 -0.57 -0.08 -2.53 5.04 -0.86 -4.92 115.29 111.38 3mpf s HIS 164 Ca 0.00 1.20 -0.19 0.00 -1.54 0.00 0.00 55.06 54.53 3mpf s HIS 164 Cb 0.00 0.20 -0.05 0.00 0.04 0.00 0.00 32.58 32.77 3mpf s HIS 164 CO 0.00 -0.35 0.53 0.20 -2.34 0.00 0.00 174.74 172.78 3mpf s GLY 165 N 1.72 2.48 0.33 1.59 0.00 -1.26 -0.66 107.32 111.52 3mpf s GLY 165 Ca -0.07 -0.10 0.05 0.00 0.00 0.00 0.00 44.72 44.60 3mpf s GLY 165 CO -0.11 0.77 0.31 -1.34 0.00 0.00 0.00 173.10 172.73 3mpf s VAL 166 N 0.32 0.00 -0.12 1.40 -7.23 0.06 -4.45 120.40 110.38 3mpf s VAL 166 Ca 0.28 -1.92 0.01 0.00 -1.81 0.00 0.00 61.98 58.55 3mpf s VAL 166 Cb -0.16 -2.53 0.02 0.00 0.56 0.00 0.00 36.38 34.27 3mpf s VAL 166 CO 0.13 0.00 -0.13 -0.22 -0.31 0.00 0.00 175.10 174.57 3mpf s LEU 167 N -3.34 1.56 -0.45 1.32 2.96 -0.87 -1.39 118.68 118.48 3mpf s LEU 167 Ca 0.39 -0.40 -0.26 0.00 -0.22 0.00 0.00 54.13 53.64 3mpf s LEU 167 Cb 0.02 -1.02 0.03 0.00 0.50 0.00 0.00 46.19 45.71 3mpf s LEU 167 CO 0.25 -0.04 0.95 -0.69 -1.32 0.00 0.00 176.35 175.50 3mpf s VAL 168 N 1.28 4.46 -1.93 1.68 1.01 -0.09 0.24 120.40 127.04 3mpf s VAL 168 Ca -0.01 0.85 0.18 0.00 0.00 0.00 0.00 61.98 63.00 3mpf s VAL 168 Cb -0.14 -4.44 0.32 0.00 0.00 0.00 0.00 36.38 32.12 3mpf s VAL 168 CO -0.05 -0.82 1.25 1.33 0.00 0.00 0.00 175.10 176.81 3mpf n VAL 169 N 6.41 0.49 -2.59 2.92 0.24 -0.06 -1.54 118.33 124.20 3mpf n VAL 169 Ca 0.07 -0.74 0.00 0.00 -2.04 0.00 0.00 64.34 61.63 3mpf n VAL 169 Cb 0.48 0.95 0.00 0.00 -1.47 0.00 0.00 33.84 33.81 3mpf n VAL 169 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3mpf n GLY 170 N 1.10 -1.44 3.82 7.63 0.00 -1.17 -1.25 105.19 113.88 3mpf n GLY 170 Ca 0.15 -1.02 -0.07 0.00 0.00 0.00 0.00 46.02 45.07 3mpf n GLY 170 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 3mpf s TYR 171 N -2.76 -0.20 -2.16 1.61 -0.85 -0.35 -0.83 117.35 111.81 3mpf s TYR 171 Ca 0.00 -0.24 0.00 0.00 -0.52 0.00 0.00 57.07 56.31 3mpf s TYR 171 Cb 0.00 0.68 0.00 0.00 0.38 0.00 0.00 41.96 43.02 3mpf s TYR 171 CO 0.00 -1.20 0.00 0.41 -1.52 0.00 0.00 175.55 173.24 3mpf n GLY 172 N -0.45 -0.58 3.02 5.49 0.00 -0.88 -1.07 105.19 110.73 3mpf n GLY 172 Ca -0.05 -0.71 -0.12 0.00 0.00 0.00 0.00 46.02 45.14 3mpf n GLY 172 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 3mpf s ASP 173 N -4.00 -0.05 -0.54 1.61 -4.77 -1.26 -0.77 116.67 106.90 3mpf s ASP 173 Ca 0.00 0.05 -0.10 0.00 -3.30 0.00 0.00 52.55 49.19 3mpf s ASP 173 Cb 0.00 0.21 0.14 0.00 -1.09 0.00 0.00 42.92 42.18 3mpf s ASP 173 CO 0.00 -0.15 0.43 -0.22 0.70 0.00 0.00 175.17 175.93 3mpf s LEU 174 N -0.46 5.86 -1.49 2.11 0.20 0.25 -4.58 118.68 120.57 3mpf s LEU 174 Ca -0.05 -2.07 -0.07 0.00 0.69 0.00 0.00 54.13 52.63 3mpf s LEU 174 Cb -0.03 -2.05 0.05 0.00 -0.43 0.00 0.00 46.19 43.73 3mpf s LEU 174 CO 0.00 -0.68 0.61 0.59 -0.29 0.00 0.00 176.35 176.59 3mpf n ASN 175 N 4.73 -1.76 0.00 3.68 5.03 -1.26 -1.51 115.26 124.17 3mpf n ASN 175 Ca -0.05 -0.96 0.00 0.00 0.87 0.00 0.00 54.58 54.44 3mpf n ASN 175 Cb 0.41 -3.17 0.00 0.00 -1.02 0.00 0.00 39.78 36.00 3mpf n ASN 175 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 3mpf n GLY 176 N -1.76 3.34 3.56 7.41 0.00 -1.26 -5.01 105.19 111.47 3mpf n GLY 176 Ca -0.16 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.45 3mpf n GLY 176 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3mpf s LYS 177 N -0.68 3.15 0.29 1.61 1.02 -0.57 -4.98 119.74 119.58 3mpf s LYS 177 Ca 0.00 0.28 -0.29 0.00 0.02 0.00 0.00 55.97 55.97 3mpf s LYS 177 Cb 0.00 -4.19 -0.10 0.00 -0.52 0.00 0.00 37.83 33.02 3mpf s LYS 177 CO 0.00 -2.15 1.22 -1.21 -0.92 0.00 0.00 175.35 172.29 3mpf s GLU 178 N 5.86 4.48 0.06 1.68 2.02 -1.26 -0.58 118.70 130.96 3mpf s GLU 178 Ca 0.50 2.02 -0.04 0.00 0.02 0.00 0.00 54.97 57.47 3mpf s GLU 178 Cb -0.10 -3.14 -0.03 0.00 0.10 0.00 0.00 34.13 30.97 3mpf s GLU 178 CO 0.21 -0.02 0.05 1.52 0.02 0.00 0.00 175.26 177.04 3mpf s TYR 179 N -1.01 0.38 -0.16 1.61 -0.85 0.05 -1.48 117.35 115.89 3mpf s TYR 179 Ca 0.48 -0.89 -0.09 0.00 -0.52 0.00 0.00 57.07 56.04 3mpf s TYR 179 Cb -0.36 -0.27 -0.05 0.00 0.38 0.00 0.00 41.96 41.67 3mpf s TYR 179 CO 0.46 -0.44 0.16 -1.58 -1.52 0.00 0.00 175.55 172.63 3mpf s TRP 180 N -3.90 3.49 -0.40 -3.49 0.52 0.11 -2.07 118.94 113.21 3mpf s TRP 180 Ca 0.06 0.44 -0.22 0.00 0.02 0.00 0.00 56.10 56.40 3mpf s TRP 180 Cb 0.07 -2.10 0.01 0.00 -1.15 0.00 0.00 33.47 30.30 3mpf s TRP 180 CO -0.10 0.45 0.73 -1.17 0.02 0.00 0.00 176.95 176.87 3mpf s LEU 181 N -0.15 4.25 -0.16 2.99 2.96 -0.01 -1.11 118.68 127.45 3mpf s LEU 181 Ca 0.12 0.06 0.01 0.00 -0.22 0.00 0.00 54.13 54.10 3mpf s LEU 181 Cb -0.12 -2.91 0.00 0.00 0.50 0.00 0.00 46.19 43.67 3mpf s LEU 181 CO 0.01 -0.76 -0.17 -0.69 -1.32 0.00 0.00 176.35 173.42 3mpf s VAL 182 N 3.02 2.51 -0.19 1.68 1.01 -0.31 -0.88 120.40 127.25 3mpf s VAL 182 Ca 0.28 -0.82 -0.22 0.00 0.00 0.00 0.00 61.98 61.22 3mpf s VAL 182 Cb -0.13 -2.05 -0.02 0.00 0.00 0.00 0.00 36.38 34.17 3mpf s VAL 182 CO 0.18 0.52 0.69 -0.75 0.00 0.00 0.00 175.10 175.74 3mpf s LYS 183 N 0.89 4.23 0.48 2.72 2.20 0.14 -1.20 119.74 129.20 3mpf s LYS 183 Ca -0.04 0.73 0.08 0.00 -0.36 0.00 0.00 55.97 56.39 3mpf s LYS 183 Cb -0.15 -3.58 0.03 0.00 -1.51 0.00 0.00 37.83 32.63 3mpf s LYS 183 CO -0.02 -0.27 0.61 1.21 -0.36 0.00 0.00 175.35 176.52 3mpf s ASN 184 N 1.19 5.30 -0.29 1.43 3.04 -1.01 -2.05 114.94 122.55 3mpf s ASN 184 Ca 0.31 -0.68 0.08 0.00 0.04 0.00 0.00 52.86 52.62 3mpf s ASN 184 Cb -0.16 -0.24 0.46 0.00 -1.54 0.00 0.00 41.25 39.78 3mpf s ASN 184 CO 0.11 -0.97 1.18 -1.54 -3.04 0.00 0.00 177.10 172.84 3mpf n SER 185 N -1.94 4.59 -1.36 -4.21 3.41 -1.26 -4.50 113.62 108.35 3mpf n SER 185 Ca 0.09 -3.58 -0.05 0.00 -0.26 0.00 0.00 58.87 55.08 3mpf n SER 185 Cb 0.61 -0.36 0.22 0.00 -0.26 0.00 0.00 64.21 64.42 3mpf n SER 185 CO 0.00 0.00 0.00 0.79 -0.16 0.00 0.00 175.04 175.67 3mpf n TRP 186 N -0.69 1.51 0.00 7.33 8.01 -1.20 -0.49 117.44 131.91 3mpf n TRP 186 Ca 0.40 -1.43 0.00 0.00 -1.31 0.00 0.00 57.50 55.16 3mpf n TRP 186 Cb 0.94 -0.54 0.00 0.00 -2.01 0.00 0.00 31.31 29.69 3mpf n TRP 186 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09 3mpf n GLY 187 N -0.88 -1.48 0.07 6.99 0.00 -0.10 -4.16 105.19 105.63 3mpf n GLY 187 Ca 0.35 -1.56 0.11 0.00 0.00 0.00 0.00 46.02 44.92 3mpf n GLY 187 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 3mpf n HIS 188 N -1.72 0.45 1.02 1.61 8.25 -1.26 -3.00 115.22 120.58 3mpf n HIS 188 Ca 0.00 0.16 0.11 0.00 -0.26 0.00 0.00 57.72 57.74 3mpf n HIS 188 Cb 0.00 -0.76 0.03 0.00 1.12 0.00 0.00 29.99 30.37 3mpf n HIS 188 CO 0.00 0.00 0.00 0.09 0.64 0.00 0.00 176.34 177.07 3mpf n ASN 189 N -1.90 1.92 -4.73 0.41 5.03 -1.26 -2.97 115.26 111.77 3mpf n ASN 189 Ca 0.04 -1.45 -0.41 0.00 0.87 0.00 0.00 54.58 53.62 3mpf n ASN 189 Cb 0.26 0.46 -0.04 0.00 -1.02 0.00 0.00 39.78 39.44 3mpf n ASN 189 CO 0.00 0.00 0.00 0.12 -1.83 0.00 0.00 177.26 175.55 3mpf s PHE 190 N -2.49 3.60 0.00 3.10 2.19 -1.16 -4.87 117.98 118.34 3mpf s PHE 190 Ca 0.19 1.57 0.00 0.00 0.33 0.00 0.00 56.93 59.02 3mpf s PHE 190 Cb 0.18 -3.26 0.00 0.00 -1.31 0.00 0.00 43.02 38.63 3mpf s PHE 190 CO 0.58 -0.59 0.00 0.41 1.83 0.00 0.00 175.22 177.45 3mpf n GLY 191 N 2.36 2.83 3.40 13.12 0.00 -1.18 -0.04 105.19 125.68 3mpf n GLY 191 Ca 0.04 -0.20 -0.45 0.00 0.00 0.00 0.00 46.02 45.41 3mpf n GLY 191 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3mpf s GLU 192 N 0.00 3.76 -1.46 1.61 2.02 0.34 -4.46 118.70 120.52 3mpf s GLU 192 Ca 0.00 -2.32 -0.07 0.00 0.02 0.00 0.00 54.97 52.61 3mpf s GLU 192 Cb 0.00 -4.73 0.03 0.00 0.10 0.00 0.00 34.13 29.53 3mpf s GLU 192 CO 0.00 -1.54 0.59 0.39 0.02 0.00 0.00 175.26 174.72 3mpf n GLU 193 N 5.05 -4.49 -0.03 1.61 -0.58 -1.24 -1.90 120.64 119.06 3mpf n GLU 193 Ca 0.23 0.75 0.00 0.00 -0.42 0.00 0.00 57.16 57.72 3mpf n GLU 193 Cb 0.46 -5.57 0.00 0.00 -0.57 0.00 0.00 31.44 25.76 3mpf n GLU 193 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3mpf n GLY 194 N -1.42 0.42 3.65 0.62 0.00 0.94 -4.72 105.19 104.68 3mpf n GLY 194 Ca -0.07 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.72 3mpf n GLY 194 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3mpf s TYR 195 N -2.08 2.72 -0.04 1.61 1.51 -0.80 -2.40 117.35 117.88 3mpf s TYR 195 Ca 0.00 -0.21 0.01 0.00 -1.01 0.00 0.00 57.07 55.86 3mpf s TYR 195 Cb 0.00 -1.22 0.02 0.00 -0.11 0.00 0.00 41.96 40.65 3mpf s TYR 195 CO 0.00 0.61 -0.05 -1.50 -1.11 0.00 0.00 175.55 173.50 3mpf s ILE 196 N -2.27 0.56 -0.38 2.71 2.07 -0.34 -0.50 121.20 123.04 3mpf s ILE 196 Ca 0.31 -0.17 -0.18 0.00 -1.41 0.00 0.00 60.65 59.20 3mpf s ILE 196 Cb -0.07 -0.56 0.01 0.00 0.13 0.00 0.00 42.46 41.97 3mpf s ILE 196 CO 0.20 0.22 0.52 -0.13 -1.91 0.00 0.00 174.94 173.83 3mpf s ARG 197 N 0.69 3.43 -0.05 3.50 0.52 -1.26 -1.16 118.95 124.62 3mpf s ARG 197 Ca -0.09 -0.35 -0.01 0.00 -0.52 0.00 0.00 55.73 54.76 3mpf s ARG 197 Cb -0.12 -3.87 -0.03 0.00 0.52 0.00 0.00 34.95 31.44 3mpf s ARG 197 CO 0.00 -0.76 0.00 -1.64 0.02 0.00 0.00 175.30 172.93 3mpf s MET 198 N 2.41 2.91 0.11 3.54 -1.94 -0.27 -0.02 119.30 126.05 3mpf s MET 198 Ca 0.18 -0.48 -0.36 0.00 -1.71 0.00 0.00 55.69 53.32 3mpf s MET 198 Cb -0.16 -2.75 -0.16 0.00 2.01 0.00 0.00 34.83 33.78 3mpf s MET 198 CO 0.14 0.67 1.41 0.00 -0.01 0.00 0.00 175.02 177.23 3mpf n ALA 199 N 1.83 -0.29 -2.53 3.03 0.00 -0.32 0.09 120.51 122.32 3mpf n ALA 199 Ca -0.17 0.50 -0.30 0.00 0.00 0.00 0.00 53.44 53.47 3mpf n ALA 199 Cb 0.53 -2.16 -0.11 0.00 0.00 0.00 0.00 19.45 17.72 3mpf n ALA 199 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.50 178.00 3mpf s ARG 200 N 0.59 2.11 -1.46 0.00 3.52 -0.55 -4.59 118.95 118.57 3mpf s ARG 200 Ca 0.83 -1.00 -0.09 0.00 -0.13 0.00 0.00 55.73 55.34 3mpf s ARG 200 Cb -0.87 -2.27 0.04 0.00 -1.56 0.00 0.00 34.95 30.29 3mpf s ARG 200 CO 0.44 0.52 0.76 0.09 -0.81 0.00 0.00 175.30 176.30 3mpf n ASN 201 N 1.05 -5.32 -2.37 -2.12 3.02 -1.26 -4.68 115.26 103.58 3mpf n ASN 201 Ca -0.15 -0.46 -0.27 0.00 -0.03 0.00 0.00 54.58 53.67 3mpf n ASN 201 Cb 0.52 -4.29 0.01 0.00 -0.61 0.00 0.00 39.78 35.42 3mpf n ASN 201 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 3mpf n LYS 202 N -4.26 3.44 -2.84 3.52 4.76 -1.26 -4.94 118.16 116.56 3mpf n LYS 202 Ca -0.04 -4.35 -0.10 0.00 -2.87 0.00 0.00 58.31 50.95 3mpf n LYS 202 Cb 0.57 -2.26 0.05 0.00 -1.84 0.00 0.00 35.03 31.55 3mpf n LYS 202 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3mpf n GLY 203 N -0.55 0.05 3.49 0.72 0.00 -1.26 -3.68 105.19 103.96 3mpf n GLY 203 Ca 0.41 -0.17 -0.20 0.00 0.00 0.00 0.00 46.02 46.06 3mpf n GLY 203 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 3mpf n ASN 204 N -1.82 -3.54 -4.70 1.61 5.15 -1.26 -4.87 115.26 105.83 3mpf n ASN 204 Ca -0.11 -0.76 -0.42 0.00 -0.60 0.00 0.00 54.58 52.69 3mpf n ASN 204 Cb 0.58 -4.60 -0.03 0.00 -0.53 0.00 0.00 39.78 35.20 3mpf n ASN 204 CO 0.00 0.00 0.00 -2.28 1.40 0.00 0.00 177.26 176.38 3mpf s HIS 205 N -3.48 2.42 -2.14 1.20 5.65 -1.24 -1.64 115.29 116.07 3mpf s HIS 205 Ca 0.20 0.10 0.00 0.00 0.25 0.00 0.00 55.06 55.60 3mpf s HIS 205 Cb -0.04 -4.18 0.00 0.00 -1.18 0.00 0.00 32.58 27.18 3mpf s HIS 205 CO 0.78 -4.73 0.00 0.00 -0.65 0.00 0.00 174.74 170.14 3mpf n GLY 207 N -0.44 1.05 0.33 0.00 0.00 -0.65 -0.76 105.19 104.72 3mpf n GLY 207 Ca -0.21 -0.41 0.10 0.00 0.00 0.00 0.00 46.02 45.50 3mpf n GLY 207 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 3mpf h ILE 208 N 0.00 0.95 -0.58 -0.61 2.10 -1.61 -0.97 117.51 116.79 3mpf h ILE 208 Ca -0.27 -0.11 0.00 0.00 1.08 0.00 0.00 64.86 65.56 3mpf h ILE 208 Cb 0.92 0.61 0.00 0.00 -1.09 0.00 0.00 36.82 37.26 3mpf h ILE 208 CO 0.38 0.06 0.00 0.00 -1.08 0.00 0.00 178.15 177.51 3mpf n ALA 209 N -2.53 2.80 0.07 0.18 0.00 -1.26 -4.55 120.51 115.21 3mpf n ALA 209 Ca 0.05 -1.54 -0.13 0.00 0.00 0.00 0.00 53.44 51.83 3mpf n ALA 209 Cb 0.26 -0.87 -0.09 0.00 0.00 0.00 0.00 19.45 18.76 3mpf n ALA 209 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.50 178.27 3mpf h SER 210 N 3.59 -0.17 -2.04 0.00 0.02 -1.47 0.23 113.55 113.71 3mpf h SER 210 Ca 0.00 -0.30 -0.56 0.00 -0.84 0.00 0.00 61.79 60.09 3mpf h SER 210 Cb 1.25 0.05 -0.40 0.00 0.14 0.00 0.00 62.40 63.44 3mpf h SER 210 CO 0.15 0.23 -1.01 0.49 -1.14 0.00 0.00 176.83 175.55 3mpf n PHE 211 N -5.00 0.49 -2.87 3.45 3.72 -1.26 -4.12 117.46 111.87 3mpf n PHE 211 Ca -0.09 -3.69 -0.36 0.00 -0.05 0.00 0.00 57.45 53.26 3mpf n PHE 211 Cb 0.24 -0.40 -0.06 0.00 -0.94 0.00 0.00 39.48 38.32 3mpf n PHE 211 CO 0.00 0.00 0.00 -2.14 -0.05 0.00 0.00 176.76 174.57 3mpf s PRO 212 N -1.53 4.41 0.06 -1.08 0.02 -1.26 -4.04 135.00 131.58 3mpf s PRO 212 Ca 0.36 1.16 -0.17 0.00 0.02 0.00 0.00 61.00 62.37 3mpf s PRO 212 Cb 0.18 -2.66 0.03 0.00 0.02 0.00 0.00 34.50 32.07 3mpf s PRO 212 CO -0.09 0.23 0.39 -1.54 -0.33 0.00 0.00 177.00 175.66 3mpf s SER 213 N -1.79 -0.25 -0.03 2.53 1.04 -0.17 -1.43 113.70 113.60 3mpf s SER 213 Ca 0.52 -0.08 -0.09 0.00 0.48 0.00 0.00 55.95 56.78 3mpf s SER 213 Cb -0.16 0.42 0.01 0.00 0.10 0.00 0.00 66.02 66.40 3mpf s SER 213 CO 0.21 -0.68 0.20 -0.72 0.98 0.00 0.00 173.24 173.22 3mpf s TYR 214 N -2.70 -0.11 0.51 5.02 1.13 -0.66 -0.80 117.35 119.75 3mpf s TYR 214 Ca -0.04 0.21 -0.02 0.00 -1.41 0.00 0.00 57.07 55.81 3mpf s TYR 214 Cb -0.00 0.03 0.00 0.00 -1.10 0.00 0.00 41.96 40.89 3mpf s TYR 214 CO -0.04 -0.24 0.76 -1.25 -2.51 0.00 0.00 175.55 172.27 3mpf s PRO 215 N -0.79 2.99 0.03 -3.49 0.04 -1.26 -1.12 135.00 131.39 3mpf s PRO 215 Ca -0.09 -0.32 -0.00 0.00 0.04 0.00 0.00 61.00 60.63 3mpf s PRO 215 Cb -0.05 -2.45 -0.02 0.00 0.04 0.00 0.00 34.50 32.02 3mpf s PRO 215 CO 0.02 -0.45 -0.03 -1.21 0.04 0.00 0.00 177.00 175.36 3mpf s GLU 216 N -4.73 0.37 0.00 4.56 2.02 -0.49 -4.94 118.70 115.50 3mpf s GLU 216 Ca 0.51 -0.73 0.05 0.00 0.02 0.00 0.00 54.97 54.82 3mpf s GLU 216 Cb -0.10 0.12 0.04 0.00 0.10 0.00 0.00 34.13 34.28 3mpf s GLU 216 CO 0.41 -0.06 0.66 -0.89 0.02 0.00 0.00 175.26 175.40