#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 4pro n GLN 7 N 0.00 0.15 0.10 -0.52 -0.00 -1.26 -2.07 117.38 113.77 4pro n GLN 7 Ca 0.00 0.20 -0.03 0.00 -0.00 0.00 0.00 57.00 57.17 4pro n GLN 7 Cb 0.00 -1.70 -0.05 0.00 -0.00 0.00 0.00 30.24 28.48 4pro n GLN 7 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.06 178.31 4pro h LEU 8 N 0.00 0.00 -1.35 2.61 6.46 -2.06 -3.25 115.31 117.71 4pro h LEU 8 Ca 0.00 0.00 0.08 0.00 -0.12 0.00 0.00 57.88 57.84 4pro h LEU 8 Cb 0.54 0.00 -0.05 0.00 -0.73 0.00 0.00 40.66 40.42 4pro h LEU 8 CO 0.00 0.78 0.51 0.11 -0.62 0.00 0.00 178.44 179.22 4pro h LYS 9 N 0.00 0.73 -0.46 1.25 1.57 -1.86 -2.05 116.57 115.74 4pro h LYS 9 Ca -0.01 -0.04 -0.12 0.00 -1.87 0.00 0.00 60.65 58.61 4pro h LYS 9 Cb 1.60 -0.16 -0.01 0.00 0.08 0.00 0.00 32.23 33.73 4pro h LYS 9 CO 0.10 0.48 -0.18 0.35 -0.57 0.00 0.00 179.45 179.63 4pro h PHE 10 N 0.75 1.06 -0.66 -1.35 3.57 -1.69 -2.61 116.94 116.01 4pro h PHE 10 Ca 0.35 -0.25 -0.05 0.00 3.53 0.00 0.00 57.97 61.55 4pro h PHE 10 Cb 0.38 -0.25 -0.03 0.00 2.79 0.00 0.00 35.95 38.84 4pro h PHE 10 CO -0.00 1.05 0.21 0.00 -2.23 0.00 0.00 178.31 177.33 4pro h ALA 11 N 0.86 1.11 -0.72 2.41 0.00 -1.53 0.73 119.26 122.12 4pro h ALA 11 Ca 0.11 -0.21 -0.02 0.00 0.00 0.00 0.00 54.91 54.79 4pro h ALA 11 Cb 0.75 -0.26 -0.03 0.00 0.00 0.00 0.00 17.79 18.24 4pro h ALA 11 CO 0.06 0.61 0.39 0.52 0.00 0.00 0.00 179.25 180.83 4pro h MET 12 N 0.98 1.01 -0.09 0.00 2.86 -1.29 -0.29 114.93 118.12 4pro h MET 12 Ca 0.22 -0.12 -0.18 0.00 -2.06 0.00 0.00 59.70 57.56 4pro h MET 12 Cb 0.28 -0.20 -0.01 0.00 0.06 0.00 0.00 31.60 31.74 4pro h MET 12 CO -0.01 0.76 -0.70 0.37 1.06 0.00 0.00 176.91 178.40 4pro h GLN 13 N 1.00 0.40 0.26 1.72 4.15 -1.12 -1.64 115.11 119.87 4pro h GLN 13 Ca 0.25 -0.31 -0.01 0.00 0.77 0.00 0.00 58.65 59.35 4pro h GLN 13 Cb 0.05 0.06 0.00 0.00 0.21 0.00 0.00 27.48 27.80 4pro h GLN 13 CO -0.04 0.94 -0.12 -0.09 -1.93 0.00 0.00 178.83 177.59 4pro h ARG 14 N 0.28 -0.33 0.00 1.69 2.43 -0.46 -2.85 114.38 115.13 4pro h ARG 14 Ca -0.02 0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 4pro h ARG 14 Cb 1.26 0.08 0.00 0.00 -0.42 0.00 0.00 29.97 30.88 4pro h ARG 14 CO 0.12 0.02 -1.13 -0.25 -1.51 0.00 0.00 179.97 177.21 4pro n ASP 15 N -5.06 0.70 0.00 -3.80 8.00 -0.15 -4.50 116.55 111.74 4pro n ASP 15 Ca -0.09 -0.60 0.00 0.00 0.71 0.00 0.00 54.79 54.81 4pro n ASP 15 Cb 0.26 1.06 0.00 0.00 -0.02 0.00 0.00 41.12 42.42 4pro n ASP 15 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 4pro n LEU 16 N -1.73 0.71 -2.03 0.64 4.77 -0.65 -5.00 117.00 113.71 4pro n LEU 16 Ca 0.02 -0.77 -0.20 0.00 -0.03 0.00 0.00 56.01 55.03 4pro n LEU 16 Cb 0.39 0.00 -0.04 0.00 -2.33 0.00 0.00 43.42 41.44 4pro n LEU 16 CO 0.42 0.18 -0.23 0.61 -1.33 0.00 0.00 177.39 177.04 4pro n GLY 17 N 0.13 0.58 3.54 -0.72 0.00 -1.00 -4.92 105.19 102.81 4pro n GLY 17 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 4pro n GLY 17 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 4pro s ILE 18 N -2.85 4.95 0.42 -0.61 1.01 -1.03 -4.95 121.20 118.14 4pro s ILE 18 Ca 0.00 0.26 -0.03 0.00 0.00 0.00 0.00 60.65 60.88 4pro s ILE 18 Cb 0.00 -4.05 -0.04 0.00 0.01 0.00 0.00 42.46 38.38 4pro s ILE 18 CO 0.00 -0.35 0.67 -0.36 0.00 0.00 0.00 174.94 174.91 4pro s PHE 19 N 2.53 3.53 0.26 3.97 0.40 -1.26 -2.96 117.98 124.45 4pro s PHE 19 Ca 0.20 0.61 -0.04 0.00 -0.60 0.00 0.00 56.93 57.10 4pro s PHE 19 Cb -0.15 -2.12 0.54 0.00 0.51 0.00 0.00 43.02 41.80 4pro s PHE 19 CO 0.15 -0.09 1.63 -1.35 0.70 0.00 0.00 175.22 176.27 4pro h PRO 20 N 0.51 0.13 0.00 0.24 0.11 -1.96 0.15 132.00 131.17 4pro h PRO 20 Ca -0.48 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.62 4pro h PRO 20 Cb 1.21 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 32.29 4pro h PRO 20 CO 0.62 0.08 0.00 0.25 -0.21 0.00 0.00 178.00 178.74 4pro n THR 21 N -5.32 0.95 0.61 -1.15 -2.24 -1.26 -2.41 114.28 103.45 4pro n THR 21 Ca 0.16 0.27 0.11 0.00 -2.27 0.00 0.00 64.05 62.32 4pro n THR 21 Cb 0.55 -1.13 -0.11 0.00 -2.10 0.00 0.00 70.33 67.55 4pro n THR 21 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 4pro n GLN 22 N -1.91 0.26 0.02 -0.78 6.02 0.47 -4.58 117.38 116.88 4pro n GLN 22 Ca 0.02 -0.06 -0.10 0.00 -0.01 0.00 0.00 57.00 56.85 4pro n GLN 22 Cb 0.19 -1.52 -0.04 0.00 1.02 0.00 0.00 30.24 29.89 4pro n GLN 22 CO 0.00 0.00 0.00 -0.07 -1.01 0.00 0.00 177.06 175.98 4pro h LEU 23 N 0.00 -0.46 -0.33 1.08 3.38 -1.09 -1.76 115.31 116.13 4pro h LEU 23 Ca 0.00 0.08 0.04 0.00 0.09 0.00 0.00 57.88 58.09 4pro h LEU 23 Cb 0.70 0.21 -0.04 0.00 0.09 0.00 0.00 40.66 41.62 4pro h LEU 23 CO 0.00 -0.20 0.11 -0.65 0.09 0.00 0.00 178.44 177.79 4pro h PRO 24 N -0.21 0.25 -0.33 1.13 0.11 -1.81 0.62 132.00 131.77 4pro h PRO 24 Ca 0.08 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.18 4pro h PRO 24 Cb 0.32 -0.06 -0.02 0.00 0.11 0.00 0.00 31.00 31.36 4pro h PRO 24 CO -0.21 0.16 0.21 0.37 -0.21 0.00 0.00 178.00 178.33 4pro h GLN 25 N 0.25 0.44 -0.00 1.05 -0.00 -1.82 0.09 115.11 115.12 4pro h GLN 25 Ca 0.15 -0.03 0.03 0.00 -0.00 0.00 0.00 58.65 58.80 4pro h GLN 25 Cb 0.13 -0.10 -0.04 0.00 0.00 0.00 0.00 27.48 27.46 4pro h GLN 25 CO -0.16 0.31 -0.25 -0.92 0.00 0.00 0.00 178.83 177.82 4pro h TYR 26 N 0.44 -0.66 -0.66 3.99 3.20 -0.92 -1.23 116.97 121.12 4pro h TYR 26 Ca 0.12 0.02 0.09 0.00 3.14 0.00 0.00 58.73 62.10 4pro h TYR 26 Cb -0.03 0.29 -0.07 0.00 1.54 0.00 0.00 36.73 38.47 4pro h TYR 26 CO -0.05 -0.34 0.31 -0.07 -1.64 0.00 0.00 178.16 176.37 4pro h LEU 27 N -0.38 0.39 -0.64 2.82 4.07 -0.52 0.07 115.31 121.12 4pro h LEU 27 Ca 0.06 0.06 0.01 0.00 0.08 0.00 0.00 57.88 58.10 4pro h LEU 27 Cb 0.47 0.00 -0.03 0.00 1.08 0.00 0.00 40.66 42.17 4pro h LEU 27 CO -0.22 0.23 0.42 -0.61 -1.08 0.00 0.00 178.44 177.17 4pro h GLN 28 N 0.54 0.82 -0.41 1.13 4.15 -0.63 -0.72 115.11 119.98 4pro h GLN 28 Ca 0.33 -0.05 -0.07 0.00 0.77 0.00 0.00 58.65 59.63 4pro h GLN 28 Cb 0.35 -0.18 -0.02 0.00 0.21 0.00 0.00 27.48 27.83 4pro h GLN 28 CO -0.27 0.54 -0.02 1.15 -1.93 0.00 0.00 178.83 178.30 4pro h THR 29 N 0.84 1.23 -0.21 2.39 2.02 -0.20 -1.88 112.91 117.10 4pro h THR 29 Ca 0.24 -0.95 -0.13 0.00 0.77 0.00 0.00 66.41 66.34 4pro h THR 29 Cb -0.06 0.95 -0.01 0.00 -1.74 0.00 0.00 68.15 67.28 4pro h THR 29 CO -0.07 0.33 -0.42 -0.08 0.37 0.00 0.00 175.52 175.66 4pro h GLU 30 N 0.63 0.50 -0.31 6.66 4.81 -0.29 -2.45 114.58 124.13 4pro h GLU 30 Ca 0.12 -0.25 -0.08 0.00 -0.13 0.00 0.00 59.36 59.02 4pro h GLU 30 Cb 0.43 0.01 -0.01 0.00 0.63 0.00 0.00 28.75 29.80 4pro h GLU 30 CO 0.02 0.83 -0.13 -0.22 -0.73 0.00 0.00 179.01 178.78 4pro h LYS 31 N 0.41 0.63 -0.93 1.92 3.64 -0.80 -3.06 116.57 118.37 4pro h LYS 31 Ca 0.03 -0.27 0.04 0.00 -1.27 0.00 0.00 60.65 59.19 4pro h LYS 31 Cb 0.90 -0.02 -0.06 0.00 -0.41 0.00 0.00 32.23 32.64 4pro h LYS 31 CO 0.08 0.84 0.60 1.25 -2.27 0.00 0.00 179.45 179.96 4pro h LEU 32 N 0.39 1.00 -1.13 5.20 5.85 -1.24 -0.62 115.31 124.75 4pro h LEU 32 Ca 0.07 -0.00 -0.05 0.00 0.84 0.00 0.00 57.88 58.74 4pro h LEU 32 Cb 0.65 -0.22 -0.02 0.00 0.37 0.00 0.00 40.66 41.44 4pro h LEU 32 CO 0.04 0.67 0.07 0.00 -0.34 0.00 0.00 178.44 178.88 4pro h ALA 33 N 1.39 1.29 0.02 1.25 0.00 -1.43 -1.32 119.26 120.48 4pro h ALA 33 Ca 0.38 -0.20 -0.07 0.00 0.00 0.00 0.00 54.91 55.01 4pro h ALA 33 Cb 0.04 -0.18 0.01 0.00 0.00 0.00 0.00 17.79 17.65 4pro h ALA 33 CO -0.13 0.49 -0.31 -0.09 0.00 0.00 0.00 179.25 179.21 4pro h ARG 34 N 0.65 0.17 0.00 0.00 2.43 -1.30 -2.97 114.38 113.37 4pro h ARG 34 Ca 0.14 -0.21 -0.05 0.00 -0.81 0.00 0.00 59.98 59.05 4pro h ARG 34 Cb 0.31 0.07 -0.01 0.00 -0.42 0.00 0.00 29.97 29.92 4pro h ARG 34 CO 0.00 0.99 -0.23 1.79 -1.51 0.00 0.00 179.97 181.02 4pro h THR 35 N -0.56 0.48 0.00 0.20 1.35 -1.11 -3.31 112.91 109.96 4pro h THR 35 Ca -0.04 -1.26 -0.12 0.00 -0.55 0.00 0.00 66.41 64.44 4pro h THR 35 Cb 1.12 1.90 -0.02 0.00 -1.73 0.00 0.00 68.15 69.42 4pro h THR 35 CO 0.06 0.22 -2.07 0.00 -0.25 0.00 0.00 175.52 173.48 4pro n GLN 36 N -3.29 0.67 -0.30 4.72 1.13 -0.50 -4.70 117.38 115.11 4pro n GLN 36 Ca 0.01 -0.12 0.00 0.00 -1.94 0.00 0.00 57.00 54.96 4pro n GLN 36 Cb 0.49 -1.54 0.05 0.00 0.11 0.00 0.00 30.24 29.35 4pro n GLN 36 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 4pro n ALA 37 N -2.41 -0.04 -0.18 -1.58 0.00 -1.12 0.31 120.51 115.50 4pro n ALA 37 Ca -0.13 0.79 -0.09 0.00 0.00 0.00 0.00 53.44 54.01 4pro n ALA 37 Cb 0.76 -0.38 0.01 0.00 0.00 0.00 0.00 19.45 19.83 4pro n ALA 37 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 4pro h ALA 38 N 1.18 0.69 -0.63 0.00 0.00 -1.84 -1.59 119.26 117.06 4pro h ALA 38 Ca 0.29 -0.27 0.01 0.00 0.00 0.00 0.00 54.91 54.95 4pro h ALA 38 Cb 0.49 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 18.05 4pro h ALA 38 CO -0.78 0.47 0.41 0.00 0.00 0.00 0.00 179.25 179.35 4pro h ALA 39 N 0.96 0.81 -0.30 0.00 0.00 -0.44 -0.35 119.26 119.93 4pro h ALA 39 Ca 0.15 -0.04 -0.08 0.00 0.00 0.00 0.00 54.91 54.94 4pro h ALA 39 Cb 0.47 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 18.01 4pro h ALA 39 CO 0.02 0.20 -0.16 0.82 0.00 0.00 0.00 179.25 180.13 4pro h ILE 40 N 0.83 1.24 -0.33 0.00 2.04 -0.58 -1.79 117.51 118.91 4pro h ILE 40 Ca 0.24 -1.11 -0.09 0.00 1.00 0.00 0.00 64.86 64.90 4pro h ILE 40 Cb -0.06 1.19 -0.01 0.00 -0.74 0.00 0.00 36.82 37.20 4pro h ILE 40 CO -0.07 0.36 -0.15 -0.08 0.00 0.00 0.00 178.15 178.21 4pro h GLU 41 N 0.47 0.69 -0.25 2.37 4.81 -0.58 -2.97 114.58 119.13 4pro h GLU 41 Ca 0.08 -0.30 -0.04 0.00 -0.13 0.00 0.00 59.36 58.97 4pro h GLU 41 Cb 0.55 -0.02 -0.01 0.00 0.63 0.00 0.00 28.75 29.90 4pro h GLU 41 CO 0.04 0.89 -0.00 0.00 -0.73 0.00 0.00 179.01 179.20 4pro h ARG 42 N 0.46 0.44 -0.89 1.92 3.08 -0.95 -2.75 114.38 115.70 4pro h ARG 42 Ca 0.08 -0.14 0.14 0.00 0.07 0.00 0.00 59.98 60.12 4pro h ARG 42 Cb 0.68 -0.04 -0.07 0.00 0.08 0.00 0.00 29.97 30.62 4pro h ARG 42 CO 0.05 0.62 0.57 1.49 -1.07 0.00 0.00 179.97 181.62 4pro h GLU 43 N 0.21 0.68 -0.02 0.04 4.81 -1.32 -1.68 114.58 117.30 4pro h GLU 43 Ca 0.07 -0.04 0.00 0.00 -0.13 0.00 0.00 59.36 59.26 4pro h GLU 43 Cb 0.42 -0.15 0.00 0.00 0.63 0.00 0.00 28.75 29.65 4pro h GLU 43 CO 0.01 0.45 -0.21 1.19 -0.73 0.00 0.00 179.01 179.73 4pro n PHE 44 N -4.56 0.00 -1.51 0.92 3.72 -1.12 -5.04 117.46 109.87 4pro n PHE 44 Ca 0.17 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.57 4pro n PHE 44 Cb 0.46 -0.04 0.00 0.00 -0.94 0.00 0.00 39.48 38.96 4pro n PHE 44 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 4pro n GLY 45 N 1.33 0.99 0.09 1.37 0.00 -0.63 -1.72 105.19 106.61 4pro n GLY 45 Ca 0.13 -0.57 0.05 0.00 0.00 0.00 0.00 46.02 45.64 4pro n GLY 45 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 4pro n ALA 46 N 3.86 0.87 1.29 4.61 0.00 -1.26 -0.52 120.51 129.36 4pro n ALA 46 Ca 0.00 0.09 0.13 0.00 0.00 0.00 0.00 53.44 53.66 4pro n ALA 46 Cb 0.00 -1.00 0.43 0.00 0.00 0.00 0.00 19.45 18.89 4pro n ALA 46 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 4pro n GLN 47 N -1.83 0.85 -1.67 0.00 10.64 -0.70 -4.74 117.38 119.93 4pro n GLN 47 Ca -0.01 -0.46 -0.45 0.00 -1.83 0.00 0.00 57.00 54.25 4pro n GLN 47 Cb 0.11 -1.49 -0.03 0.00 -0.86 0.00 0.00 30.24 27.97 4pro n GLN 47 CO 0.00 0.00 0.00 0.34 -1.83 0.00 0.00 177.06 175.57 4pro n PHE 48 N -0.67 2.20 -1.34 2.61 7.35 0.32 -0.54 117.46 127.39 4pro n PHE 48 Ca 0.13 0.39 0.08 0.00 -0.76 0.00 0.00 57.45 57.29 4pro n PHE 48 Cb 0.33 -2.48 0.15 0.00 0.35 0.00 0.00 39.48 37.83 4pro n PHE 48 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 4pro n ALA 49 N 2.28 2.66 0.00 3.13 0.00 0.20 -1.57 120.51 127.21 4pro n ALA 49 Ca 0.13 -2.70 0.00 0.00 0.00 0.00 0.00 53.44 50.86 4pro n ALA 49 Cb 0.31 -0.39 0.00 0.00 0.00 0.00 0.00 19.45 19.37 4pro n ALA 49 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 4pro n GLY 50 N -1.18 -0.13 3.15 0.00 0.00 -1.25 -4.63 105.19 101.15 4pro n GLY 50 Ca 0.15 -1.73 -0.10 0.00 0.00 0.00 0.00 46.02 44.34 4pro n GLY 50 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 4pro s SER 51 N -2.14 0.51 -0.10 1.61 1.04 -1.26 -0.72 113.70 112.63 4pro s SER 51 Ca 0.00 -1.15 -0.32 0.00 0.48 0.00 0.00 55.95 54.95 4pro s SER 51 Cb 0.00 0.24 0.12 0.00 0.10 0.00 0.00 66.02 66.49 4pro s SER 51 CO 0.00 -0.67 1.16 -1.66 0.98 0.00 0.00 173.24 173.05 4pro s TRP 52 N -3.95 -0.14 0.06 5.02 -2.14 -0.46 -5.00 118.94 112.34 4pro s TRP 52 Ca 0.20 0.05 -0.17 0.00 2.66 0.00 0.00 56.10 58.85 4pro s TRP 52 Cb 0.07 0.53 -0.06 0.00 -3.10 0.00 0.00 33.47 30.91 4pro s TRP 52 CO -0.01 -0.31 0.51 0.42 -2.66 0.00 0.00 176.95 174.90 4pro s ILE 53 N -2.59 4.87 0.07 0.66 1.01 -1.26 -0.65 121.20 123.31 4pro s ILE 53 Ca 0.10 0.99 0.03 0.00 0.00 0.00 0.00 60.65 61.77 4pro s ILE 53 Cb 0.00 -3.80 -0.03 0.00 0.01 0.00 0.00 42.46 38.64 4pro s ILE 53 CO -0.05 0.49 -0.08 -0.70 0.00 0.00 0.00 174.94 174.60 4pro s GLU 54 N -1.30 0.71 -0.15 2.79 2.12 0.70 -4.93 118.70 118.64 4pro s GLU 54 Ca 0.29 -1.04 -0.03 0.00 0.36 0.00 0.00 54.97 54.55 4pro s GLU 54 Cb -0.18 -0.35 -0.02 0.00 0.26 0.00 0.00 34.13 33.84 4pro s GLU 54 CO 0.17 0.04 -0.06 0.50 -0.54 0.00 0.00 175.26 175.38 4pro s ARG 55 N -2.58 3.60 0.95 4.30 3.52 -1.26 -0.52 118.95 126.95 4pro s ARG 55 Ca 0.01 -0.56 -0.14 0.00 -0.13 0.00 0.00 55.73 54.91 4pro s ARG 55 Cb -0.04 -2.86 0.16 0.00 -1.56 0.00 0.00 34.95 30.66 4pro s ARG 55 CO -0.01 0.22 1.17 -0.80 -0.81 0.00 0.00 175.30 175.07 4pro s ASN 56 N 0.41 3.22 0.00 -2.12 0.02 0.20 -4.95 114.94 111.71 4pro s ASN 56 Ca -0.05 0.76 0.28 0.00 -1.02 0.00 0.00 52.86 52.83 4pro s ASN 56 Cb -0.15 -1.18 0.99 0.00 0.02 0.00 0.00 41.25 40.93 4pro s ASN 56 CO 0.03 -2.71 1.75 -1.84 0.02 0.00 0.00 177.10 174.35 4pro n GLU 57 N -3.84 0.05 0.11 -0.60 0.28 -1.26 -3.07 120.64 112.31 4pro n GLU 57 Ca 0.09 -0.02 0.12 0.00 -0.16 0.00 0.00 57.16 57.19 4pro n GLU 57 Cb 0.60 -1.50 0.11 0.00 1.43 0.00 0.00 31.44 32.07 4pro n GLU 57 CO 0.00 0.00 0.00 0.38 -0.16 0.00 0.00 177.13 177.35 4pro h ASP 58 N 0.04 0.00 0.00 -1.84 2.03 -2.05 -3.48 116.42 111.12 4pro h ASP 58 Ca 0.00 -0.07 0.00 0.00 -0.73 0.00 0.00 57.03 56.23 4pro h ASP 58 Cb 0.49 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.99 4pro h ASP 58 CO 0.00 0.04 0.00 0.61 -1.03 0.00 0.00 179.24 178.86 4pro n GLY 59 N 1.23 1.62 3.68 7.15 0.00 -1.17 -5.11 105.19 112.58 4pro n GLY 59 Ca 0.02 -0.41 -0.31 0.00 0.00 0.00 0.00 46.02 45.33 4pro n GLY 59 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 4pro s SER 60 N -0.52 3.14 0.23 1.61 1.04 -1.26 -4.66 113.70 113.27 4pro s SER 60 Ca 0.00 1.98 0.10 0.00 0.48 0.00 0.00 55.95 58.52 4pro s SER 60 Cb 0.00 -2.50 -0.04 0.00 0.10 0.00 0.00 66.02 63.57 4pro s SER 60 CO 0.00 -2.93 -0.13 -0.36 0.98 0.00 0.00 173.24 170.79 4pro s PHE 61 N -2.71 2.48 0.07 5.02 0.40 -1.26 -0.63 117.98 121.34 4pro s PHE 61 Ca 0.65 -0.28 -0.17 0.00 -0.60 0.00 0.00 56.93 56.53 4pro s PHE 61 Cb -0.21 -1.15 0.03 0.00 0.51 0.00 0.00 43.02 42.20 4pro s PHE 61 CO 0.58 0.59 0.39 -1.59 0.70 0.00 0.00 175.22 175.90 4pro s LYS 62 N -3.18 0.95 -0.22 0.44 -2.85 0.32 -4.94 119.74 110.25 4pro s LYS 62 Ca 0.27 -0.48 -0.15 0.00 -1.00 0.00 0.00 55.97 54.61 4pro s LYS 62 Cb -0.07 0.42 -0.04 0.00 -2.06 0.00 0.00 37.83 36.08 4pro s LYS 62 CO 0.15 -0.33 0.38 -1.17 0.10 0.00 0.00 175.35 174.48 4pro s LEU 63 N -2.23 4.13 -0.11 2.77 2.96 -1.26 -0.22 118.68 124.72 4pro s LEU 63 Ca -0.03 0.46 -0.01 0.00 -0.22 0.00 0.00 54.13 54.33 4pro s LEU 63 Cb 0.00 -2.48 -0.03 0.00 0.50 0.00 0.00 46.19 44.18 4pro s LEU 63 CO -0.05 -0.09 -0.05 -0.69 -1.32 0.00 0.00 176.35 174.15 4pro s VAL 64 N 1.43 3.79 -0.06 1.68 1.01 0.17 -2.34 120.40 126.09 4pro s VAL 64 Ca 0.18 -0.42 0.05 0.00 0.00 0.00 0.00 61.98 61.79 4pro s VAL 64 Cb -0.15 -2.60 -0.01 0.00 0.00 0.00 0.00 36.38 33.62 4pro s VAL 64 CO 0.08 0.55 -0.23 0.00 0.00 0.00 0.00 175.10 175.50 4pro s ALA 65 N -0.25 2.00 0.10 5.51 0.00 -0.70 -1.35 121.76 127.07 4pro s ALA 65 Ca 0.04 -0.94 0.07 0.00 0.00 0.00 0.00 51.96 51.13 4pro s ALA 65 Cb -0.13 -0.65 -0.04 0.00 0.00 0.00 0.00 23.12 22.30 4pro s ALA 65 CO 0.02 0.36 -0.10 0.00 0.00 0.00 0.00 175.76 176.04 4pro s ALA 66 N -0.03 2.94 -0.00 0.00 0.00 0.10 -0.88 121.76 123.88 4pro s ALA 66 Ca -0.06 -1.24 -0.04 0.00 0.00 0.00 0.00 51.96 50.62 4pro s ALA 66 Cb -0.14 -0.89 -0.00 0.00 0.00 0.00 0.00 23.12 22.09 4pro s ALA 66 CO 0.04 0.64 0.07 -0.08 0.00 0.00 0.00 175.76 176.43 4pro s THR 67 N -1.20 0.07 -0.41 0.00 -1.32 0.31 -0.62 115.64 112.47 4pro s THR 67 Ca 0.21 -0.57 0.23 0.00 -1.21 0.00 0.00 61.69 60.35 4pro s THR 67 Cb -0.11 -0.29 0.01 0.00 -1.51 0.00 0.00 72.50 70.61 4pro s THR 67 CO 0.13 -0.31 1.15 0.77 -2.21 0.00 0.00 174.62 174.15 4pro h SER 68 N 4.90 0.00 0.00 8.08 4.64 -0.92 0.38 113.55 130.63 4pro h SER 68 Ca -0.29 -0.10 0.00 0.00 -0.47 0.00 0.00 61.79 60.92 4pro h SER 68 Cb 1.20 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.29 4pro h SER 68 CO 0.42 0.05 0.00 0.61 -0.87 0.00 0.00 176.83 177.04 4pro n GLY 69 N 1.25 1.54 0.00 -0.77 0.00 -1.26 -4.73 105.19 101.22 4pro n GLY 69 Ca 0.01 -1.74 0.00 0.00 0.00 0.00 0.00 46.02 44.29 4pro n GLY 69 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 4pro n ALA 70 N -3.00 -0.01 -0.12 4.61 0.00 -1.26 -4.81 120.51 115.92 4pro n ALA 70 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 4pro n ALA 70 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 4pro n ALA 70 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 4pro n ARG 71 N -1.71 0.00 0.00 0.00 1.74 -1.26 -4.73 116.66 110.70 4pro n ARG 71 Ca 0.00 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.08 4pro n ARG 71 Cb 0.00 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 31.44 4pro n ARG 71 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 4pro n LYS 72 N 0.00 0.00 -3.87 5.56 4.01 -1.26 -4.79 118.16 117.81 4pro n LYS 72 Ca 0.00 0.00 -0.08 0.00 -0.51 0.00 0.00 58.31 57.72 4pro n LYS 72 Cb 0.00 -0.71 -0.01 0.00 -0.51 0.00 0.00 35.03 33.79 4pro n LYS 72 CO 0.00 0.00 0.00 0.45 -1.11 0.00 0.00 177.40 176.74 4pro s SER 73 N 0.00 -0.16 0.32 4.39 0.15 -1.26 -4.72 113.70 112.41 4pro s SER 73 Ca 0.00 -0.77 0.10 0.00 0.70 0.00 0.00 55.95 55.98 4pro s SER 73 Cb 0.00 0.74 -0.06 0.00 -1.71 0.00 0.00 66.02 64.99 4pro s SER 73 CO 0.00 -1.40 -0.12 -0.55 1.20 0.00 0.00 173.24 172.37 4pro s SER 74 N -2.97 3.58 0.00 5.45 0.15 -1.26 -5.01 113.70 113.63 4pro s SER 74 Ca 0.13 -1.15 0.30 0.00 0.70 0.00 0.00 55.95 55.94 4pro s SER 74 Cb -0.05 -0.31 1.64 0.00 -1.71 0.00 0.00 66.02 65.58 4pro s SER 74 CO 0.08 -0.15 2.09 0.41 1.20 0.00 0.00 173.24 176.87 4pro n THR 75 N -0.72 0.02 -3.96 6.45 -1.04 -1.26 -4.66 114.28 109.11 4pro n THR 75 Ca -0.05 0.01 -0.34 0.00 -2.04 0.00 0.00 64.05 61.62 4pro n THR 75 Cb 0.62 -0.52 -0.14 0.00 -1.82 0.00 0.00 70.33 68.47 4pro n THR 75 CO 0.00 0.00 0.00 -0.76 -0.64 0.00 0.00 175.07 173.67 4pro s LEU 76 N -2.32 2.82 0.86 -4.42 1.43 -1.26 -5.10 118.68 110.68 4pro s LEU 76 Ca 0.36 -0.58 -0.12 0.00 -1.03 0.00 0.00 54.13 52.76 4pro s LEU 76 Cb 0.20 -1.67 0.10 0.00 0.03 0.00 0.00 46.19 44.85 4pro s LEU 76 CO 0.41 -0.05 1.06 0.61 0.23 0.00 0.00 176.35 178.61 4pro n GLY 77 N 4.73 -0.46 3.19 -3.19 0.00 -1.26 -3.90 105.19 104.31 4pro n GLY 77 Ca -0.18 -0.60 -0.15 0.00 0.00 0.00 0.00 46.02 45.09 4pro n GLY 77 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 4pro n GLY 78 N 0.61 -0.50 2.66 -0.02 0.00 -1.26 -5.01 105.19 101.67 4pro n GLY 78 Ca 0.12 0.19 -0.18 0.00 0.00 0.00 0.00 46.02 46.15 4pro n GLY 78 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 4pro s VAL 79 N -3.34 -0.26 -0.16 1.61 1.01 -1.25 -4.53 120.40 113.48 4pro s VAL 79 Ca 0.12 -1.46 -0.33 0.00 0.00 0.00 0.00 61.98 60.31 4pro s VAL 79 Cb -0.02 -0.71 -0.10 0.00 0.00 0.00 0.00 36.38 35.55 4pro s VAL 79 CO 0.67 -0.67 2.04 1.21 0.00 0.00 0.00 175.10 178.35 4pro n GLU 80 N 3.61 1.96 -3.36 2.72 2.13 -0.99 -4.70 120.64 122.01 4pro n GLU 80 Ca 0.18 0.65 -0.38 0.00 0.66 0.00 0.00 57.16 58.27 4pro n GLU 80 Cb 0.48 -2.78 -0.06 0.00 0.27 0.00 0.00 31.44 29.35 4pro n GLU 80 CO 0.00 0.00 0.00 0.08 -0.41 0.00 0.00 177.13 176.80 4pro s VAL 81 N 5.82 4.85 -0.04 6.31 1.01 -1.26 -1.72 120.40 135.36 4pro s VAL 81 Ca 0.98 1.01 0.03 0.00 0.00 0.00 0.00 61.98 64.00 4pro s VAL 81 Cb -0.62 -3.81 0.00 0.00 0.00 0.00 0.00 36.38 31.96 4pro s VAL 81 CO 0.46 0.48 -0.14 -0.13 0.00 0.00 0.00 175.10 175.77 4pro s ARG 82 N -1.33 1.58 -0.15 2.72 0.52 -0.06 -4.95 118.95 117.28 4pro s ARG 82 Ca 0.30 -0.50 -0.16 0.00 -0.52 0.00 0.00 55.73 54.85 4pro s ARG 82 Cb -0.18 -1.37 -0.04 0.00 0.52 0.00 0.00 34.95 33.88 4pro s ARG 82 CO 0.18 0.17 0.39 -0.80 0.02 0.00 0.00 175.30 175.25 4pro s ASN 83 N 0.21 6.54 0.14 0.23 0.01 -1.26 -0.53 114.94 120.29 4pro s ASN 83 Ca -0.06 0.64 0.04 0.00 -0.71 0.00 0.00 52.86 52.77 4pro s ASN 83 Cb -0.12 -2.24 -0.04 0.00 0.41 0.00 0.00 41.25 39.26 4pro s ASN 83 CO 0.02 0.02 -0.10 0.68 -1.51 0.00 0.00 177.10 176.22 4pro s VAL 84 N 0.69 1.13 0.00 1.60 -7.23 0.13 -4.91 120.40 111.81 4pro s VAL 84 Ca 0.21 -2.03 0.00 0.00 -1.81 0.00 0.00 61.98 58.35 4pro s VAL 84 Cb -0.14 -1.81 0.00 0.00 0.56 0.00 0.00 36.38 34.99 4pro s VAL 84 CO 0.07 -0.74 0.88 -1.14 -0.31 0.00 0.00 175.10 173.86 4pro n ARG 85 N -0.14 0.00 -2.91 4.82 0.63 -1.26 -3.83 116.66 113.98 4pro n ARG 85 Ca -0.11 0.41 -0.32 0.00 -0.92 0.00 0.00 57.85 56.91 4pro n ARG 85 Cb 0.60 -1.39 -0.06 0.00 0.45 0.00 0.00 32.46 32.06 4pro n ARG 85 CO 0.00 0.00 0.00 0.71 -2.51 0.00 0.00 177.63 175.83 4pro s TYR 86 N -2.58 3.36 0.42 -0.14 2.02 -1.26 -4.73 117.35 114.44 4pro s TYR 86 Ca 0.00 1.39 0.02 0.00 -0.37 0.00 0.00 57.07 58.11 4pro s TYR 86 Cb 0.00 -2.68 -0.00 0.00 -0.40 0.00 0.00 41.96 38.87 4pro s TYR 86 CO 0.00 -0.06 0.62 -1.54 -1.57 0.00 0.00 175.55 173.00 4pro s SER 87 N -2.39 5.87 0.18 2.29 1.04 -1.26 -4.62 113.70 114.80 4pro s SER 87 Ca 0.58 0.16 -0.14 0.00 0.48 0.00 0.00 55.95 57.03 4pro s SER 87 Cb -0.10 -1.45 0.08 0.00 0.10 0.00 0.00 66.02 64.65 4pro s SER 87 CO 0.18 -0.63 1.84 0.25 0.98 0.00 0.00 173.24 175.86 4pro h LEU 88 N 0.53 0.60 -1.23 2.42 5.85 -1.58 -0.86 115.31 121.04 4pro h LEU 88 Ca -0.46 -0.01 0.05 0.00 0.84 0.00 0.00 57.88 58.30 4pro h LEU 88 Cb 1.25 -0.14 -0.05 0.00 0.37 0.00 0.00 40.66 42.09 4pro h LEU 88 CO 0.56 0.43 0.54 0.11 -0.34 0.00 0.00 178.44 179.74 4pro h LYS 89 N 0.71 0.94 0.48 1.25 6.56 -1.86 0.25 116.57 124.90 4pro h LYS 89 Ca 0.20 -0.06 -0.02 0.00 -1.06 0.00 0.00 60.65 59.71 4pro h LYS 89 Cb -0.06 -0.21 0.00 0.00 -0.57 0.00 0.00 32.23 31.39 4pro h LYS 89 CO -0.05 0.62 -0.23 1.96 -2.06 0.00 0.00 179.45 179.69 4pro h GLN 90 N 0.97 -0.62 -0.22 3.15 4.20 -1.64 -2.08 115.11 118.87 4pro h GLN 90 Ca 0.34 0.04 -0.04 0.00 0.06 0.00 0.00 58.65 59.05 4pro h GLN 90 Cb 0.13 0.14 -0.01 0.00 0.30 0.00 0.00 27.48 28.03 4pro h GLN 90 CO -0.11 -0.38 -0.05 -0.07 -0.67 0.00 0.00 178.83 177.55 4pro h LEU 91 N -0.71 0.32 -0.81 1.46 3.38 -0.66 -2.64 115.31 115.65 4pro h LEU 91 Ca -0.07 -0.06 -0.06 0.00 0.09 0.00 0.00 57.88 57.79 4pro h LEU 91 Cb 0.53 -0.08 -0.03 0.00 0.09 0.00 0.00 40.66 41.16 4pro h LEU 91 CO 0.11 0.42 0.21 -0.61 0.09 0.00 0.00 178.44 178.66 4pro h GLN 92 N 0.33 1.09 -0.59 1.13 5.75 -0.38 -1.02 115.11 121.42 4pro h GLN 92 Ca 0.07 -0.24 -0.06 0.00 -0.15 0.00 0.00 58.65 58.27 4pro h GLN 92 Cb 0.31 -0.16 -0.03 0.00 1.07 0.00 0.00 27.48 28.68 4pro h GLN 92 CO 0.01 0.94 0.12 0.77 -2.65 0.00 0.00 178.83 178.03 4pro h SER 93 N 1.05 0.88 -0.34 -0.69 0.02 -1.01 -0.23 113.55 113.23 4pro h SER 93 Ca 0.23 -0.18 -0.11 0.00 -0.84 0.00 0.00 61.79 60.89 4pro h SER 93 Cb 0.31 -0.23 -0.02 0.00 0.14 0.00 0.00 62.40 62.61 4pro h SER 93 CO -0.01 0.87 -0.16 0.00 -1.14 0.00 0.00 176.83 176.39 4pro h ALA 94 N 1.24 0.92 -0.61 3.77 0.00 -1.32 -1.78 119.26 121.47 4pro h ALA 94 Ca 0.19 -0.35 -0.02 0.00 0.00 0.00 0.00 54.91 54.73 4pro h ALA 94 Cb 0.35 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 17.95 4pro h ALA 94 CO 0.00 0.62 0.29 1.98 0.00 0.00 0.00 179.25 182.15 4pro h MET 95 N 0.71 0.88 -0.34 0.00 -1.53 -0.53 -2.22 114.93 111.90 4pro h MET 95 Ca 0.11 -0.13 -0.06 0.00 -3.44 0.00 0.00 59.70 56.18 4pro h MET 95 Cb 0.67 -0.16 -0.02 0.00 -0.55 0.00 0.00 31.60 31.54 4pro h MET 95 CO 0.05 0.71 -0.04 0.93 0.14 0.00 0.00 176.91 178.70 4pro h GLU 96 N 0.84 0.54 -0.09 0.39 5.08 -0.76 -1.44 114.58 119.13 4pro h GLU 96 Ca 0.21 -0.13 -0.08 0.00 -1.00 0.00 0.00 59.36 58.36 4pro h GLU 96 Cb 0.12 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.29 4pro h GLU 96 CO -0.03 0.60 -0.32 1.96 -1.00 0.00 0.00 179.01 180.22 4pro h GLN 97 N 0.51 0.18 0.16 2.33 4.20 -0.75 -1.70 115.11 120.05 4pro h GLN 97 Ca 0.11 -0.07 -0.30 0.00 0.06 0.00 0.00 58.65 58.45 4pro h GLN 97 Cb 0.39 -0.01 0.03 0.00 0.30 0.00 0.00 27.48 28.18 4pro h GLN 97 CO 0.02 0.48 -1.31 -0.07 -0.67 0.00 0.00 178.83 177.28 4pro h LEU 98 N 0.16 0.76 -1.42 1.46 3.38 -0.99 -1.62 115.31 117.04 4pro h LEU 98 Ca 0.02 -0.76 -0.03 0.00 0.09 0.00 0.00 57.88 57.20 4pro h LEU 98 Cb 0.64 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 41.13 4pro h LEU 98 CO 0.05 1.57 0.03 0.44 0.09 0.00 0.00 178.44 180.62 4pro h ASP 99 N 0.19 0.37 0.00 -0.43 3.32 -1.12 -1.40 116.42 117.36 4pro h ASP 99 Ca -0.20 -0.05 -0.00 0.00 0.02 0.00 0.00 57.03 56.80 4pro h ASP 99 Cb 2.00 -0.10 0.00 0.00 0.22 0.00 0.00 39.33 41.45 4pro h ASP 99 CO 0.24 0.42 -0.01 0.00 -1.72 0.00 0.00 179.24 178.17 4pro h ALA 100 N 1.64 0.00 -0.73 3.45 0.00 -1.32 -1.88 119.26 120.42 4pro h ALA 100 Ca 0.09 -0.41 0.18 0.00 0.00 0.00 0.00 54.91 54.78 4pro h ALA 100 Cb 0.22 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 17.97 4pro h ALA 100 CO 0.00 -0.09 0.50 0.78 0.00 0.00 0.00 179.25 180.45 4pro h GLY 101 N -0.80 0.35 1.44 0.00 0.00 -1.06 0.27 103.07 103.28 4pro h GLY 101 Ca -0.00 -0.08 -0.15 0.00 0.00 0.00 0.00 47.33 47.10 4pro h GLY 101 CO 0.00 0.02 -1.05 0.00 0.00 0.00 0.00 176.54 175.51 4pro h ALA 102 N 1.65 0.64 0.00 3.60 0.00 -1.30 -3.30 119.26 120.56 4pro h ALA 102 Ca 0.35 -0.72 0.00 0.00 0.00 0.00 0.00 54.91 54.54 4pro h ALA 102 Cb 1.12 0.12 0.00 0.00 0.00 0.00 0.00 17.79 19.03 4pro h ALA 102 CO -0.06 0.85 0.00 0.09 0.00 0.00 0.00 179.25 180.13 4pro n ASN 103 N -3.05 0.00 -0.03 0.00 4.13 0.95 -5.06 115.26 112.19 4pro n ASN 103 Ca -0.05 -0.44 -0.03 0.00 1.68 0.00 0.00 54.58 55.74 4pro n ASN 103 Cb 0.81 0.00 -0.05 0.00 -1.54 0.00 0.00 39.78 39.01 4pro n ASN 103 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 4pro n ALA 104 N -0.53 1.84 -1.00 5.41 0.00 -1.23 -5.06 120.51 119.95 4pro n ALA 104 Ca 0.00 -0.40 0.00 0.00 0.00 0.00 0.00 53.44 53.04 4pro n ALA 104 Cb 0.00 0.14 0.00 0.00 0.00 0.00 0.00 19.45 19.59 4pro n ALA 104 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 4pro n PRO 112 N -2.29 0.00 -2.61 0.00 -0.04 -1.26 -5.18 135.00 123.62 4pro n PRO 112 Ca -0.11 0.00 -0.30 0.00 -0.04 0.00 0.00 63.50 63.05 4pro n PRO 112 Cb 0.70 0.00 -0.01 0.00 -0.04 0.00 0.00 33.50 34.15 4pro n PRO 112 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 4pro n LEU 113 N -0.44 5.26 -4.56 1.53 4.77 -1.26 -5.07 117.00 117.23 4pro n LEU 113 Ca 0.00 -5.37 -0.47 0.00 -0.03 0.00 0.00 56.01 50.14 4pro n LEU 113 Cb 0.00 -0.65 -0.03 0.00 -2.33 0.00 0.00 43.42 40.41 4pro n LEU 113 CO 0.00 2.21 0.59 -0.90 -1.33 0.00 0.00 177.39 177.96 4pro n ASP 114 N -0.35 1.07 0.00 -1.43 5.68 -1.26 -1.17 116.55 119.09 4pro n ASP 114 Ca 0.39 1.16 0.00 0.00 -0.50 0.00 0.00 54.79 55.83 4pro n ASP 114 Cb 0.46 -1.22 0.00 0.00 -1.14 0.00 0.00 41.12 39.23 4pro n ASP 114 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 4pro n GLY 115 N 1.70 3.27 3.60 6.12 0.00 -1.26 -4.88 105.19 113.73 4pro n GLY 115 Ca 0.13 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.76 4pro n GLY 115 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 4pro s VAL 116 N -2.11 5.21 -0.12 1.61 1.01 -0.31 0.01 120.40 125.69 4pro s VAL 116 Ca 0.00 0.47 -0.07 0.00 0.00 0.00 0.00 61.98 62.38 4pro s VAL 116 Cb 0.00 -3.66 -0.05 0.00 0.00 0.00 0.00 36.38 32.67 4pro s VAL 116 CO 0.00 0.18 0.09 1.56 0.00 0.00 0.00 175.10 176.93 4pro h GLN 117 N 8.22 0.00 -2.20 2.72 4.20 -1.13 -3.48 115.11 123.45 4pro h GLN 117 Ca -0.32 0.00 0.21 0.00 0.06 0.00 0.00 58.65 58.59 4pro h GLN 117 Cb 1.17 0.00 -0.08 0.00 0.30 0.00 0.00 27.48 28.87 4pro h GLN 117 CO 0.62 0.20 0.57 -1.54 -0.67 0.00 0.00 178.83 178.01 4pro s SER 118 N -5.75 -0.12 -0.00 1.46 1.04 -1.15 -5.00 113.70 104.18 4pro s SER 118 Ca -0.07 -0.40 -0.12 0.00 0.48 0.00 0.00 55.95 55.84 4pro s SER 118 Cb 0.00 0.43 0.01 0.00 0.10 0.00 0.00 66.02 66.56 4pro s SER 118 CO 0.17 -0.80 0.25 -1.66 0.98 0.00 0.00 173.24 172.18 4pro s TRP 119 N -2.93 -0.09 -0.05 5.02 -2.14 -1.26 -0.55 118.94 116.93 4pro s TRP 119 Ca 0.14 0.10 -0.29 0.00 2.66 0.00 0.00 56.10 58.71 4pro s TRP 119 Cb -0.00 0.04 0.10 0.00 -3.10 0.00 0.00 33.47 30.51 4pro s TRP 119 CO 0.02 -0.36 0.88 1.52 -2.66 0.00 0.00 176.95 176.34 4pro s TYR 120 N -1.43 -0.41 0.03 1.66 -0.85 -0.24 -4.98 117.35 111.13 4pro s TYR 120 Ca -0.14 0.50 -0.30 0.00 -0.52 0.00 0.00 57.07 56.61 4pro s TYR 120 Cb -0.06 0.49 -0.05 0.00 0.38 0.00 0.00 41.96 42.72 4pro s TYR 120 CO 0.03 -0.50 1.22 0.08 -1.52 0.00 0.00 175.55 174.86 4pro s VAL 121 N -2.18 4.03 -0.54 -3.49 1.01 -1.26 0.13 120.40 118.10 4pro s VAL 121 Ca -0.00 1.44 0.04 0.00 0.00 0.00 0.00 61.98 63.46 4pro s VAL 121 Cb -0.01 -3.92 0.14 0.00 0.00 0.00 0.00 36.38 32.59 4pro s VAL 121 CO -0.03 0.08 0.31 -0.62 0.00 0.00 0.00 175.10 174.84 4pro s ASP 122 N 1.21 4.16 0.39 3.32 2.15 0.46 -4.90 116.67 123.47 4pro s ASP 122 Ca 0.59 -3.12 0.15 0.00 0.43 0.00 0.00 52.55 50.60 4pro s ASP 122 Cb -0.29 -1.45 1.01 0.00 -0.30 0.00 0.00 42.92 41.89 4pro s ASP 122 CO 0.28 -0.20 1.83 -0.65 -0.17 0.00 0.00 175.17 176.25 4pro h PRO 123 N 6.27 0.47 -0.97 4.34 0.11 -1.86 -0.42 132.00 139.94 4pro h PRO 123 Ca 0.00 -0.03 0.23 0.00 0.11 0.00 0.00 66.00 66.31 4pro h PRO 123 Cb 0.87 -0.11 -0.08 0.00 0.11 0.00 0.00 31.00 31.79 4pro h PRO 123 CO 0.64 0.31 0.63 -0.09 -0.21 0.00 0.00 178.00 179.28 4pro h ARG 124 N 0.49 0.41 -0.07 1.05 9.65 -1.93 0.74 114.38 124.72 4pro h ARG 124 Ca 0.51 -0.02 0.00 0.00 -1.10 0.00 0.00 59.98 59.36 4pro h ARG 124 Cb 1.15 -0.09 0.00 0.00 -1.39 0.00 0.00 29.97 29.64 4pro h ARG 124 CO -0.23 0.27 0.00 -1.13 2.80 0.00 0.00 179.97 181.68 4pro n SER 125 N -4.56 2.69 -4.20 -3.80 3.41 -0.27 -5.00 113.62 101.88 4pro n SER 125 Ca 0.22 -2.97 -0.39 0.00 -0.26 0.00 0.00 58.87 55.47 4pro n SER 125 Cb 0.76 -0.42 -0.04 0.00 -0.26 0.00 0.00 64.21 64.25 4pro n SER 125 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 4pro n ASN 126 N -1.12 -1.50 -3.75 4.04 4.05 0.25 -4.92 115.26 112.32 4pro n ASN 126 Ca 0.16 -1.28 -0.07 0.00 0.45 0.00 0.00 54.58 53.84 4pro n ASN 126 Cb 0.66 -1.56 -0.02 0.00 1.23 0.00 0.00 39.78 40.09 4pro n ASN 126 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21 4pro s ALA 127 N -3.97 -1.44 -0.26 5.20 0.00 -1.13 -4.78 121.76 115.38 4pro s ALA 127 Ca 0.24 0.01 -0.12 0.00 0.00 0.00 0.00 51.96 52.09 4pro s ALA 127 Cb -0.14 0.77 -0.05 0.00 0.00 0.00 0.00 23.12 23.70 4pro s ALA 127 CO 0.98 -0.98 0.23 0.08 0.00 0.00 0.00 175.76 176.07 4pro s VAL 128 N -3.66 5.29 -0.02 0.00 1.01 0.19 -0.40 120.40 122.81 4pro s VAL 128 Ca 0.10 0.28 -0.18 0.00 0.00 0.00 0.00 61.98 62.18 4pro s VAL 128 Cb -0.04 -3.57 -0.05 0.00 0.00 0.00 0.00 36.38 32.72 4pro s VAL 128 CO 0.02 0.26 0.50 -0.69 0.00 0.00 0.00 175.10 175.18 4pro s VAL 129 N 1.61 4.99 -0.23 2.92 1.01 0.12 -0.11 120.40 130.70 4pro s VAL 129 Ca 0.09 1.03 0.01 0.00 0.00 0.00 0.00 61.98 63.12 4pro s VAL 129 Cb -0.15 -3.82 0.06 0.00 0.00 0.00 0.00 36.38 32.46 4pro s VAL 129 CO 0.09 0.47 -0.08 -0.69 0.00 0.00 0.00 175.10 174.89 4pro s VAL 130 N -0.40 1.73 -0.05 2.92 1.01 0.10 -1.07 120.40 124.64 4pro s VAL 130 Ca 0.27 -1.29 -0.17 0.00 0.00 0.00 0.00 61.98 60.80 4pro s VAL 130 Cb -0.17 -1.91 -0.05 0.00 0.00 0.00 0.00 36.38 34.25 4pro s VAL 130 CO 0.14 -0.02 0.45 -0.54 0.00 0.00 0.00 175.10 175.13 4pro s LYS 131 N 1.31 4.14 0.17 2.72 1.02 0.29 -0.81 119.74 128.57 4pro s LYS 131 Ca -0.06 0.45 0.04 0.00 0.02 0.00 0.00 55.97 56.43 4pro s LYS 131 Cb -0.19 -3.32 -0.05 0.00 -0.52 0.00 0.00 37.83 33.76 4pro s LYS 131 CO -0.06 0.45 -0.07 0.14 -0.92 0.00 0.00 175.35 174.89 4pro s VAL 132 N -0.33 1.10 0.70 3.17 -7.23 -0.52 -0.55 120.40 116.74 4pro s VAL 132 Ca 0.25 -2.05 -0.15 0.00 -1.81 0.00 0.00 61.98 58.22 4pro s VAL 132 Cb -0.16 -1.98 0.02 0.00 0.56 0.00 0.00 36.38 34.82 4pro s VAL 132 CO 0.12 -0.63 1.19 -1.81 -0.31 0.00 0.00 175.10 173.66 4pro s ASP 133 N -3.20 4.47 0.14 4.85 1.01 0.10 -0.55 116.67 123.50 4pro s ASP 133 Ca 0.20 2.29 -0.35 0.00 0.71 0.00 0.00 52.55 55.40 4pro s ASP 133 Cb 0.04 -2.58 -0.15 0.00 1.01 0.00 0.00 42.92 41.23 4pro s ASP 133 CO 0.03 -2.07 1.37 0.47 0.21 0.00 0.00 175.17 175.17 4pro n ASP 134 N -2.54 2.06 -2.49 0.27 8.00 -1.19 -1.11 116.55 119.55 4pro n ASP 134 Ca 0.13 1.12 -0.19 0.00 0.71 0.00 0.00 54.79 56.56 4pro n ASP 134 Cb 0.50 -1.28 0.03 0.00 -0.02 0.00 0.00 41.12 40.35 4pro n ASP 134 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 4pro n GLY 135 N 2.59 -0.32 0.13 0.44 0.00 -1.26 -4.86 105.19 101.91 4pro n GLY 135 Ca 0.17 -0.04 0.02 0.00 0.00 0.00 0.00 46.02 46.17 4pro n GLY 135 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 4pro n ALA 136 N -3.12 1.80 -0.29 4.61 0.00 -0.27 -4.80 120.51 118.45 4pro n ALA 136 Ca -0.11 -1.26 0.19 0.00 0.00 0.00 0.00 53.44 52.26 4pro n ALA 136 Cb 0.61 -0.21 0.48 0.00 0.00 0.00 0.00 19.45 20.33 4pro n ALA 136 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 4pro h THR 137 N 2.40 0.63 -0.24 0.00 1.03 -1.89 -0.92 112.91 113.92 4pro h THR 137 Ca 0.00 -0.16 0.05 0.00 -0.01 0.00 0.00 66.41 66.29 4pro h THR 137 Cb 0.96 0.12 -0.04 0.00 -1.07 0.00 0.00 68.15 68.12 4pro h THR 137 CO 0.00 0.08 -0.05 0.44 -0.01 0.00 0.00 175.52 175.99 4pro h ASP 138 N 0.46 -0.19 -0.39 0.00 5.19 -1.96 0.20 116.42 119.73 4pro h ASP 138 Ca 0.53 0.07 0.01 0.00 -0.62 0.00 0.00 57.03 57.02 4pro h ASP 138 Cb 1.25 0.13 -0.02 0.00 0.18 0.00 0.00 39.33 40.87 4pro h ASP 138 CO -0.25 -0.06 0.26 0.00 -3.12 0.00 0.00 179.24 176.06 4pro h ALA 139 N 1.23 1.74 0.13 3.45 0.00 -1.52 0.10 119.26 124.40 4pro h ALA 139 Ca 0.11 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.99 4pro h ALA 139 Cb 0.17 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 17.81 4pro h ALA 139 CO -0.23 0.23 -0.06 0.78 0.00 0.00 0.00 179.25 179.97 4pro h GLY 140 N 0.51 -0.18 0.22 0.00 0.00 -0.75 -0.68 103.07 102.18 4pro h GLY 140 Ca 0.15 0.07 0.10 0.00 0.00 0.00 0.00 47.33 47.64 4pro h GLY 140 CO -0.03 -0.07 0.06 -2.08 0.00 0.00 0.00 176.54 174.42 4pro h VAL 141 N -0.43 0.64 -0.62 4.60 2.07 0.38 -1.42 116.25 121.48 4pro h VAL 141 Ca -0.02 -0.06 -0.05 0.00 0.82 0.00 0.00 66.70 67.39 4pro h VAL 141 Cb 0.35 0.45 -0.03 0.00 -1.52 0.00 0.00 31.29 30.54 4pro h VAL 141 CO 0.03 0.03 0.19 0.44 0.02 0.00 0.00 177.57 178.29 4pro h ASP 142 N 0.18 0.90 -0.13 0.57 5.19 -0.75 -2.03 116.42 120.34 4pro h ASP 142 Ca 0.27 -0.21 0.04 0.00 -0.62 0.00 0.00 57.03 56.51 4pro h ASP 142 Cb 0.39 -0.24 -0.04 0.00 0.18 0.00 0.00 39.33 39.62 4pro h ASP 142 CO -0.39 0.87 -0.12 0.15 -3.12 0.00 0.00 179.24 176.63 4pro h PHE 143 N 0.88 -0.30 0.08 4.55 3.57 -0.21 0.23 116.94 125.75 4pro h PHE 143 Ca 0.20 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.72 4pro h PHE 143 Cb 0.29 0.15 -0.01 0.00 2.79 0.00 0.00 35.95 39.18 4pro h PHE 143 CO 0.02 -0.18 -0.07 0.28 -2.23 0.00 0.00 178.31 176.13 4pro h VAL 144 N -0.14 0.85 -0.56 1.41 2.07 -1.16 -2.42 116.25 116.31 4pro h VAL 144 Ca 0.09 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.60 4pro h VAL 144 Cb 0.27 0.85 -0.03 0.00 -1.52 0.00 0.00 31.29 30.86 4pro h VAL 144 CO -0.22 0.00 0.33 0.00 0.02 0.00 0.00 177.57 177.70 4pro h ALA 145 N 0.76 0.71 0.00 1.67 0.00 -1.12 -2.18 119.26 119.11 4pro h ALA 145 Ca 0.00 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.83 4pro h ALA 145 Cb 0.15 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 17.71 4pro h ALA 145 CO -0.01 0.21 0.00 1.47 0.00 0.00 0.00 179.25 180.91 4pro n LEU 146 N -4.64 0.63 -0.44 0.00 -0.00 0.80 -1.65 117.00 111.70 4pro n LEU 146 Ca 0.03 0.67 0.12 0.00 -0.00 0.00 0.00 56.01 56.83 4pro n LEU 146 Cb 0.06 -0.59 0.18 0.00 -0.00 0.00 0.00 43.42 43.07 4pro n LEU 146 CO 0.36 -0.58 0.50 -1.20 -0.00 0.00 0.00 177.39 176.47 4pro n SER 147 N -2.21 1.71 -3.37 1.45 7.64 -0.84 -4.95 113.62 113.05 4pro n SER 147 Ca 0.02 -1.33 -0.24 0.00 1.01 0.00 0.00 58.87 58.33 4pro n SER 147 Cb 0.21 0.28 0.06 0.00 -1.01 0.00 0.00 64.21 63.75 4pro n SER 147 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 4pro n GLY 148 N 1.37 -0.54 3.85 0.23 0.00 -0.66 -4.82 105.19 104.63 4pro n GLY 148 Ca 0.11 0.20 -0.37 0.00 0.00 0.00 0.00 46.02 45.97 4pro n GLY 148 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 4pro s ALA 149 N -3.26 3.82 -0.49 4.61 0.00 -1.12 -5.00 121.76 120.32 4pro s ALA 149 Ca 0.47 -0.59 -0.29 0.00 0.00 0.00 0.00 51.96 51.55 4pro s ALA 149 Cb -0.21 -2.06 -0.10 0.00 0.00 0.00 0.00 23.12 20.75 4pro s ALA 149 CO 0.59 0.53 2.38 -3.47 0.00 0.00 0.00 175.76 175.78 4pro n ASP 150 N 2.21 2.12 0.00 0.00 -0.08 -1.26 -4.75 116.55 114.80 4pro n ASP 150 Ca -0.18 -0.09 0.00 0.00 -1.51 0.00 0.00 54.79 53.01 4pro n ASP 150 Cb 0.54 -1.41 0.00 0.00 2.34 0.00 0.00 41.12 42.59 4pro n ASP 150 CO 0.00 0.00 0.00 -1.54 0.12 0.00 0.00 177.20 175.78 4pro n SER 151 N 13.10 0.00 0.09 1.67 3.41 -1.26 -1.27 113.62 129.36 4pro n SER 151 Ca 0.41 0.41 -0.05 0.00 -0.26 0.00 0.00 58.87 59.39 4pro n SER 151 Cb 0.38 -0.41 0.00 0.00 -0.26 0.00 0.00 64.21 63.92 4pro n SER 151 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 4pro h ALA 152 N 1.85 0.62 -0.59 7.33 0.00 -2.03 -3.19 119.26 123.25 4pro h ALA 152 Ca 0.00 -0.76 0.00 0.00 0.00 0.00 0.00 54.91 54.15 4pro h ALA 152 Cb 0.07 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 17.72 4pro h ALA 152 CO 0.00 1.05 0.00 1.04 0.00 0.00 0.00 179.25 181.34 4pro n GLN 153 N -3.54 4.05 -4.24 0.00 6.02 -0.39 -4.89 117.38 114.38 4pro n GLN 153 Ca -0.01 -2.83 -0.26 0.00 -0.01 0.00 0.00 57.00 53.90 4pro n GLN 153 Cb 0.80 -2.02 -0.17 0.00 1.02 0.00 0.00 30.24 29.88 4pro n GLN 153 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 177.06 176.13 4pro s VAL 154 N -2.17 1.14 -0.21 5.09 1.01 -1.21 -0.63 120.40 123.42 4pro s VAL 154 Ca 0.50 -0.42 -0.05 0.00 0.00 0.00 0.00 61.98 62.02 4pro s VAL 154 Cb 0.35 -1.09 -0.02 0.00 0.00 0.00 0.00 36.38 35.62 4pro s VAL 154 CO 0.20 0.37 -0.02 -0.60 0.00 0.00 0.00 175.10 175.06 4pro s ARG 155 N 1.20 3.50 -0.15 2.72 3.52 0.84 -4.91 118.95 125.66 4pro s ARG 155 Ca -0.04 -0.57 -0.14 0.00 -0.13 0.00 0.00 55.73 54.85 4pro s ARG 155 Cb -0.14 -3.05 -0.05 0.00 -1.56 0.00 0.00 34.95 30.15 4pro s ARG 155 CO -0.03 -0.09 0.32 0.42 -0.81 0.00 0.00 175.30 175.10 4pro s ILE 156 N 1.25 5.29 -0.01 4.11 1.01 -1.26 -0.72 121.20 130.87 4pro s ILE 156 Ca 0.03 0.60 0.01 0.00 0.00 0.00 0.00 60.65 61.30 4pro s ILE 156 Cb -0.14 -3.66 0.00 0.00 0.01 0.00 0.00 42.46 38.67 4pro s ILE 156 CO 0.00 0.38 -0.05 -0.70 0.00 0.00 0.00 174.94 174.58 4pro s GLU 157 N 0.46 0.46 0.52 2.79 2.12 0.01 -4.94 118.70 120.11 4pro s GLU 157 Ca 0.18 -0.15 -0.21 0.00 0.36 0.00 0.00 54.97 55.15 4pro s GLU 157 Cb -0.13 -0.46 -0.06 0.00 0.26 0.00 0.00 34.13 33.74 4pro s GLU 157 CO 0.05 0.07 1.16 -1.12 -0.54 0.00 0.00 175.26 174.87 4pro s SER 158 N 0.09 5.81 -0.03 -1.70 0.01 -1.26 -1.44 113.70 115.17 4pro s SER 158 Ca -0.01 2.26 -0.01 0.00 1.31 0.00 0.00 55.95 59.51 4pro s SER 158 Cb -0.04 -2.59 0.03 0.00 0.21 0.00 0.00 66.02 63.63 4pro s SER 158 CO -0.00 -1.16 0.06 -0.55 0.41 0.00 0.00 173.24 171.99 4pro s SER 159 N -1.58 0.17 0.77 2.44 0.15 0.29 -4.79 113.70 111.14 4pro s SER 159 Ca 0.70 0.10 -0.11 0.00 0.70 0.00 0.00 55.95 57.35 4pro s SER 159 Cb -0.27 -0.02 0.05 0.00 -1.71 0.00 0.00 66.02 64.08 4pro s SER 159 CO 0.31 -0.15 1.08 -2.16 1.20 0.00 0.00 173.24 173.52 4pro s PRO 160 N 1.25 2.29 2.10 5.44 0.05 -1.26 -3.15 135.00 141.72 4pro s PRO 160 Ca -0.07 1.00 0.00 0.00 0.05 0.00 0.00 61.00 61.98 4pro s PRO 160 Cb -0.13 -1.91 0.00 0.00 0.05 0.00 0.00 34.50 32.51 4pro s PRO 160 CO -0.04 -1.57 0.00 0.41 0.05 0.00 0.00 177.00 175.86 4pro n GLY 161 N -1.52 -0.73 3.16 0.56 0.00 -1.26 -4.85 105.19 100.55 4pro n GLY 161 Ca 0.08 -1.11 -0.28 0.00 0.00 0.00 0.00 46.02 44.71 4pro n GLY 161 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 4pro s LYS 162 N 0.00 2.11 -0.12 1.61 -0.14 -1.26 -4.76 119.74 117.17 4pro s LYS 162 Ca 0.00 -0.69 -0.29 0.00 -1.36 0.00 0.00 55.97 53.63 4pro s LYS 162 Cb 0.00 -1.77 -0.02 0.00 -1.68 0.00 0.00 37.83 34.37 4pro s LYS 162 CO 0.00 0.24 1.17 -1.17 -0.76 0.00 0.00 175.35 174.83 4pro s LEU 163 N 0.11 4.21 0.10 3.17 1.98 -1.26 -5.00 118.68 122.00 4pro s LEU 163 Ca -0.07 1.67 -0.20 0.00 -2.89 0.00 0.00 54.13 52.64 4pro s LEU 163 Cb -0.13 -3.55 0.05 0.00 0.66 0.00 0.00 46.19 43.22 4pro s LEU 163 CO 0.04 -0.63 0.48 0.00 -1.89 0.00 0.00 176.35 174.34 4pro s GLN 164 N 2.75 1.09 0.69 1.98 -2.07 -1.26 -5.10 119.66 117.73 4pro s GLN 164 Ca 0.53 -0.48 -0.15 0.00 -1.82 0.00 0.00 55.36 53.43 4pro s GLN 164 Cb -0.21 0.49 0.01 0.00 -1.09 0.00 0.00 33.01 32.21 4pro s GLN 164 CO 0.17 -0.42 1.15 0.95 -1.32 0.00 0.00 175.29 175.81 4pro s THR 165 N -3.26 2.89 0.00 3.63 -4.23 -1.26 -5.32 115.64 108.10 4pro s THR 165 Ca -0.01 0.42 0.00 0.00 -1.18 0.00 0.00 61.69 60.92 4pro s THR 165 Cb 0.00 -2.95 0.00 0.00 1.34 0.00 0.00 72.50 70.89 4pro s THR 165 CO -0.08 -0.25 0.27 0.35 -0.54 0.00 0.00 174.62 174.37