#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1j1j s SER 2 N 0.00 5.86 0.23 7.83 1.04 -1.26 -4.90 113.70 122.50 1j1j s SER 2 Ca 0.00 0.88 -0.07 0.00 0.48 0.00 0.00 55.95 57.24 1j1j s SER 2 Cb 0.00 -1.98 0.29 0.00 0.10 0.00 0.00 66.02 64.43 1j1j s SER 2 CO 0.00 -0.91 1.83 0.58 0.98 0.00 0.00 173.24 175.72 1j1j h VAL 3 N -0.09 1.00 -0.51 5.02 2.07 -2.06 -1.18 116.25 120.50 1j1j h VAL 3 Ca -0.46 -0.28 -0.00 0.00 0.82 0.00 0.00 66.70 66.77 1j1j h VAL 3 Cb 1.23 0.10 -0.02 0.00 -1.52 0.00 0.00 31.29 31.08 1j1j h VAL 3 CO 0.61 0.15 0.30 -1.28 0.02 0.00 0.00 177.57 177.37 1j1j h SER 4 N 0.83 0.62 -0.43 0.57 0.87 -1.99 -1.60 113.55 112.41 1j1j h SER 4 Ca 0.34 -0.06 -0.08 0.00 -1.23 0.00 0.00 61.79 60.76 1j1j h SER 4 Cb 0.18 -0.16 -0.02 0.00 -0.44 0.00 0.00 62.40 61.97 1j1j h SER 4 CO -0.18 0.50 -0.00 -0.33 -0.53 0.00 0.00 176.83 176.29 1j1j h GLU 5 N 0.68 0.84 -0.57 2.24 5.08 -1.84 0.60 114.58 121.60 1j1j h GLU 5 Ca 0.18 -0.23 -0.02 0.00 -1.00 0.00 0.00 59.36 58.29 1j1j h GLU 5 Cb 0.00 -0.09 -0.03 0.00 0.50 0.00 0.00 28.75 29.13 1j1j h GLU 5 CO -0.03 0.84 0.26 0.82 -1.00 0.00 0.00 179.01 179.90 1j1j h ILE 6 N 0.78 1.21 -0.00 3.13 2.04 -0.74 -1.90 117.51 122.02 1j1j h ILE 6 Ca 0.15 -0.61 -0.19 0.00 1.00 0.00 0.00 64.86 65.21 1j1j h ILE 6 Cb 0.47 0.56 -0.01 0.00 -0.74 0.00 0.00 36.82 37.10 1j1j h ILE 6 CO 0.02 0.24 -0.85 -0.26 0.00 0.00 0.00 178.15 177.30 1j1j h PHE 7 N 0.77 0.24 -0.47 1.37 -1.00 -1.02 -1.37 116.94 115.46 1j1j h PHE 7 Ca 0.19 -0.13 -0.01 0.00 2.81 0.00 0.00 57.97 60.83 1j1j h PHE 7 Cb 0.14 -0.03 -0.02 0.00 3.61 0.00 0.00 35.95 39.65 1j1j h PHE 7 CO 0.00 0.93 0.24 0.28 -1.61 0.00 0.00 178.31 178.15 1j1j h VAL 8 N 0.09 1.18 -0.69 -0.55 2.07 -0.74 0.15 116.25 117.76 1j1j h VAL 8 Ca -0.04 -0.50 -0.02 0.00 0.82 0.00 0.00 66.70 66.97 1j1j h VAL 8 Cb 1.47 0.65 -0.03 0.00 -1.52 0.00 0.00 31.29 31.85 1j1j h VAL 8 CO 0.13 0.20 0.36 -0.08 0.02 0.00 0.00 177.57 178.20 1j1j h GLU 9 N 0.62 0.97 -0.20 1.57 4.81 -1.28 -2.42 114.58 118.65 1j1j h GLU 9 Ca 0.16 -0.12 -0.08 0.00 -0.13 0.00 0.00 59.36 59.19 1j1j h GLU 9 Cb 0.10 -0.19 -0.01 0.00 0.63 0.00 0.00 28.75 29.28 1j1j h GLU 9 CO -0.02 0.74 -0.21 -0.07 -0.73 0.00 0.00 179.01 178.72 1j1j h LEU 10 N 0.95 0.35 -0.99 1.64 3.38 -0.69 -2.56 115.31 117.40 1j1j h LEU 10 Ca 0.24 -0.10 0.03 0.00 0.09 0.00 0.00 57.88 58.14 1j1j h LEU 10 Cb 0.07 -0.10 -0.06 0.00 0.09 0.00 0.00 40.66 40.66 1j1j h LEU 10 CO -0.04 0.58 0.65 -0.61 0.09 0.00 0.00 178.44 179.11 1j1j h GLN 11 N 0.33 1.25 -0.13 1.13 4.15 -0.22 -1.64 115.11 119.97 1j1j h GLN 11 Ca 0.06 -0.07 -0.02 0.00 0.77 0.00 0.00 58.65 59.38 1j1j h GLN 11 Cb 0.55 -0.28 -0.00 0.00 0.21 0.00 0.00 27.48 27.96 1j1j h GLN 11 CO 0.04 0.82 -0.00 0.78 -1.93 0.00 0.00 178.83 178.54 1j1j h GLY 12 N 1.28 0.25 0.95 2.39 0.00 -1.24 -1.30 103.07 105.40 1j1j h GLY 12 Ca 0.39 -0.19 0.02 0.00 0.00 0.00 0.00 47.33 47.55 1j1j h GLY 12 CO -0.11 0.17 0.61 0.74 0.00 0.00 0.00 176.54 177.95 1j1j h PHE 13 N -0.03 1.15 -0.35 5.60 0.04 -1.32 -0.83 116.94 121.20 1j1j h PHE 13 Ca 0.04 0.03 -0.13 0.00 2.80 0.00 0.00 57.97 60.71 1j1j h PHE 13 Cb 0.37 -0.39 -0.01 0.00 2.20 0.00 0.00 35.95 38.12 1j1j h PHE 13 CO 0.04 0.70 -0.31 -0.07 -0.60 0.00 0.00 178.31 178.06 1j1j h LEU 14 N 1.22 0.78 -0.79 1.54 3.38 -1.25 -0.82 115.31 119.37 1j1j h LEU 14 Ca 0.35 -0.32 -0.11 0.00 0.09 0.00 0.00 57.88 57.90 1j1j h LEU 14 Cb -0.07 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.45 1j1j h LEU 14 CO -0.10 1.03 -0.28 0.00 0.09 0.00 0.00 178.44 179.19 1j1j h ALA 15 N 1.02 0.96 -0.23 1.53 0.00 -0.72 -0.07 119.26 121.75 1j1j h ALA 15 Ca 0.07 -0.38 -0.10 0.00 0.00 0.00 0.00 54.91 54.51 1j1j h ALA 15 Cb 0.84 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 18.49 1j1j h ALA 15 CO 0.07 0.60 -0.25 0.00 0.00 0.00 0.00 179.25 179.68 1j1j h ALA 16 N 1.18 0.35 -0.58 0.00 0.00 -1.02 -1.10 119.26 118.09 1j1j h ALA 16 Ca 0.07 -0.38 0.04 0.00 0.00 0.00 0.00 54.91 54.64 1j1j h ALA 16 Cb 0.75 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 18.43 1j1j h ALA 16 CO 0.06 0.32 0.38 1.49 0.00 0.00 0.00 179.25 181.50 1j1j h GLU 17 N 0.28 0.63 -0.05 0.00 4.81 -0.93 -1.70 114.58 117.63 1j1j h GLU 17 Ca 0.04 -0.04 -0.21 0.00 -0.13 0.00 0.00 59.36 59.02 1j1j h GLU 17 Cb 0.80 -0.14 -0.00 0.00 0.63 0.00 0.00 28.75 30.04 1j1j h GLU 17 CO 0.06 0.42 -0.83 0.37 -0.73 0.00 0.00 179.01 178.30 1j1j h GLN 18 N 0.65 0.43 -0.33 1.92 5.75 -0.70 -2.98 115.11 119.86 1j1j h GLN 18 Ca 0.23 -0.40 -0.05 0.00 -0.15 0.00 0.00 58.65 58.28 1j1j h GLN 18 Cb 0.12 0.10 -0.02 0.00 1.07 0.00 0.00 27.48 28.76 1j1j h GLN 18 CO -0.06 1.05 -0.03 -0.44 -2.65 0.00 0.00 178.83 176.70 1j1j h ASP 19 N 0.27 0.49 -0.46 -0.69 3.32 -0.33 -2.07 116.42 116.95 1j1j h ASP 19 Ca -0.05 -0.10 -0.06 0.00 0.02 0.00 0.00 57.03 56.84 1j1j h ASP 19 Cb 1.44 -0.13 -0.02 0.00 0.22 0.00 0.00 39.33 40.84 1j1j h ASP 19 CO 0.15 0.58 0.07 0.40 -1.72 0.00 0.00 179.24 178.71 1j1j h ILE 20 N 0.49 1.25 -0.82 0.35 2.04 -1.35 -2.07 117.51 117.40 1j1j h ILE 20 Ca 0.10 -0.92 -0.01 0.00 1.00 0.00 0.00 64.86 65.03 1j1j h ILE 20 Cb 0.37 0.96 -0.04 0.00 -0.74 0.00 0.00 36.82 37.36 1j1j h ILE 20 CO 0.01 0.32 0.46 0.03 0.00 0.00 0.00 178.15 178.98 1j1j h ARG 21 N 0.63 1.13 -0.54 2.37 3.08 -1.29 0.10 114.38 119.86 1j1j h ARG 21 Ca 0.14 -0.12 -0.04 0.00 0.07 0.00 0.00 59.98 60.03 1j1j h ARG 21 Cb 0.40 -0.23 -0.03 0.00 0.08 0.00 0.00 29.97 30.20 1j1j h ARG 21 CO 0.01 0.82 0.19 0.93 -1.07 0.00 0.00 179.97 180.84 1j1j h GLU 22 N 1.13 0.80 -0.10 0.04 5.08 -1.16 -0.39 114.58 119.97 1j1j h GLU 22 Ca 0.29 -0.13 -0.12 0.00 -1.00 0.00 0.00 59.36 58.39 1j1j h GLU 22 Cb 0.00 -0.14 0.00 0.00 0.50 0.00 0.00 28.75 29.12 1j1j h GLU 22 CO -0.05 0.68 -0.41 0.93 -1.00 0.00 0.00 179.01 179.16 1j1j h GLU 23 N 0.78 0.45 0.10 2.33 4.39 -0.70 -2.93 114.58 119.00 1j1j h GLU 23 Ca 0.18 -0.35 0.02 0.00 0.34 0.00 0.00 59.36 59.54 1j1j h GLU 23 Cb 0.20 0.07 -0.03 0.00 -0.10 0.00 0.00 28.75 28.90 1j1j h GLU 23 CO -0.01 0.99 -0.19 0.82 -1.16 0.00 0.00 179.01 179.45 1j1j h ILE 24 N 0.02 0.57 -0.17 3.13 2.04 -0.54 -2.09 117.51 120.47 1j1j h ILE 24 Ca -0.02 0.00 0.05 0.00 1.00 0.00 0.00 64.86 65.89 1j1j h ILE 24 Cb 1.05 0.57 -0.01 0.00 -0.74 0.00 0.00 36.82 37.69 1j1j h ILE 24 CO 0.09 0.00 0.16 -0.09 0.00 0.00 0.00 178.15 178.30 1j1j h ARG 25 N -0.36 0.00 -0.09 2.37 1.12 -1.14 0.99 114.38 117.27 1j1j h ARG 25 Ca 0.03 0.00 -0.02 0.00 -1.11 0.00 0.00 59.98 58.87 1j1j h ARG 25 Cb 0.38 0.00 -0.00 0.00 -0.01 0.00 0.00 29.97 30.34 1j1j h ARG 25 CO -0.11 0.00 -0.04 -0.22 -3.11 0.00 0.00 179.97 176.49 1j1j h LYS 26 N 0.00 0.19 -0.51 0.20 1.63 -1.18 -1.60 116.57 115.30 1j1j h LYS 26 Ca 0.08 -0.08 -0.12 0.00 -0.85 0.00 0.00 60.65 59.68 1j1j h LYS 26 Cb 0.39 -0.01 -0.02 0.00 -0.60 0.00 0.00 32.23 32.00 1j1j h LYS 26 CO -0.00 0.53 -0.15 0.28 -3.45 0.00 0.00 179.45 176.67 1j1j h VAL 27 N -0.16 1.27 0.00 2.00 2.07 -1.02 -2.40 116.25 118.02 1j1j h VAL 27 Ca 0.02 -1.30 -0.02 0.00 0.82 0.00 0.00 66.70 66.22 1j1j h VAL 27 Cb 0.47 1.05 -0.00 0.00 -1.52 0.00 0.00 31.29 31.28 1j1j h VAL 27 CO 0.01 0.45 -0.10 0.58 0.02 0.00 0.00 177.57 178.54 1j1j h VAL 28 N 0.86 0.64 -0.03 2.57 2.07 -0.82 -1.36 116.25 120.19 1j1j h VAL 28 Ca 0.13 -0.40 -0.01 0.00 0.82 0.00 0.00 66.70 67.23 1j1j h VAL 28 Cb 0.72 1.25 -0.00 0.00 -1.52 0.00 0.00 31.29 31.74 1j1j h VAL 28 CO 0.05 0.09 -0.03 -0.61 0.02 0.00 0.00 177.57 177.10 1j1j h GLN 29 N 0.00 0.06 -0.54 1.57 4.15 -0.77 -2.06 115.11 117.53 1j1j h GLN 29 Ca -0.00 -0.03 -0.07 0.00 0.77 0.00 0.00 58.65 59.32 1j1j h GLN 29 Cb 0.24 0.00 -0.02 0.00 0.21 0.00 0.00 27.48 27.91 1j1j h GLN 29 CO 0.01 0.54 0.07 0.66 -1.93 0.00 0.00 178.83 178.18 1j1j h SER 30 N -0.41 0.82 -0.52 -0.69 4.64 -1.32 -2.42 113.55 113.66 1j1j h SER 30 Ca 0.00 -0.18 0.04 0.00 -0.47 0.00 0.00 61.79 61.18 1j1j h SER 30 Cb 0.52 -0.22 -0.04 0.00 -0.31 0.00 0.00 62.40 62.36 1j1j h SER 30 CO 0.01 0.85 0.28 -0.07 -0.87 0.00 0.00 176.83 177.03 1j1j h LEU 31 N 0.82 0.43 -1.55 5.97 4.07 -1.22 -0.75 115.31 123.09 1j1j h LEU 31 Ca 0.17 0.02 -0.05 0.00 0.08 0.00 0.00 57.88 58.10 1j1j h LEU 31 Cb 0.39 -0.07 -0.01 0.00 1.08 0.00 0.00 40.66 42.06 1j1j h LEU 31 CO 0.01 0.30 -0.24 -0.33 -1.08 0.00 0.00 178.44 177.11 1j1j h GLU 32 N 0.56 0.00 -0.01 1.13 5.08 -1.01 0.38 114.58 120.71 1j1j h GLU 32 Ca 0.22 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.57 1j1j h GLU 32 Cb 0.08 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.33 1j1j h GLU 32 CO -0.13 0.24 -0.02 0.37 -1.00 0.00 0.00 179.01 178.46 1j1j h GLN 33 N 0.00 0.04 -0.77 2.33 4.15 -0.80 -1.84 115.11 118.21 1j1j h GLN 33 Ca -0.00 -0.02 0.05 0.00 0.77 0.00 0.00 58.65 59.44 1j1j h GLN 33 Cb 0.44 0.00 -0.05 0.00 0.21 0.00 0.00 27.48 28.08 1j1j h GLN 33 CO 0.03 0.59 0.47 1.15 -1.93 0.00 0.00 178.83 179.15 1j1j h THR 34 N -0.52 1.05 -0.64 2.39 2.02 -0.88 -0.34 112.91 115.99 1j1j h THR 34 Ca 0.00 -0.31 0.07 0.00 0.77 0.00 0.00 66.41 66.95 1j1j h THR 34 Cb 0.59 0.08 -0.06 0.00 -1.74 0.00 0.00 68.15 67.03 1j1j h THR 34 CO 0.01 0.16 0.32 0.00 0.37 0.00 0.00 175.52 176.38 1j1j h ALA 35 N 1.36 0.85 -0.81 6.16 0.00 -0.88 -0.88 119.26 125.06 1j1j h ALA 35 Ca 0.33 0.04 -0.03 0.00 0.00 0.00 0.00 54.91 55.25 1j1j h ALA 35 Cb 0.11 -0.07 -0.04 0.00 0.00 0.00 0.00 17.79 17.80 1j1j h ALA 35 CO -0.15 -0.04 0.41 0.00 0.00 0.00 0.00 179.25 179.47 1j1j h ARG 36 N 0.59 1.16 -0.45 0.00 3.08 -0.26 -1.06 114.38 117.44 1j1j h ARG 36 Ca 0.30 -0.16 -0.01 0.00 0.07 0.00 0.00 59.98 60.18 1j1j h ARG 36 Cb 0.25 -0.21 -0.02 0.00 0.08 0.00 0.00 29.97 30.07 1j1j h ARG 36 CO -0.22 0.89 0.23 0.93 -1.07 0.00 0.00 179.97 180.73 1j1j h GLU 37 N 1.15 0.61 -0.05 0.04 5.08 0.16 -1.37 114.58 120.20 1j1j h GLU 37 Ca 0.28 -0.06 -0.06 0.00 -1.00 0.00 0.00 59.36 58.52 1j1j h GLU 37 Cb 0.10 -0.12 0.00 0.00 0.50 0.00 0.00 28.75 29.22 1j1j h GLU 37 CO -0.04 0.46 -0.19 0.82 -1.00 0.00 0.00 179.01 179.06 1j1j h ILE 38 N 0.62 1.45 -0.97 3.13 2.04 -0.68 -2.97 117.51 120.12 1j1j h ILE 38 Ca 0.16 -1.62 0.13 0.00 1.00 0.00 0.00 64.86 64.53 1j1j h ILE 38 Cb 0.04 2.36 -0.08 0.00 -0.74 0.00 0.00 36.82 38.40 1j1j h ILE 38 CO -0.02 0.45 0.61 0.25 0.00 0.00 0.00 178.15 179.44 1j1j h LEU 39 N -0.31 0.84 -0.47 1.44 5.85 -0.87 -0.02 115.31 121.76 1j1j h LEU 39 Ca -0.01 0.05 0.05 0.00 0.84 0.00 0.00 57.88 58.81 1j1j h LEU 39 Cb 0.83 -0.12 -0.04 0.00 0.37 0.00 0.00 40.66 41.70 1j1j h LEU 39 CO 0.04 0.43 0.22 0.74 -0.34 0.00 0.00 178.44 179.53 1j1j h THR 40 N 0.89 0.93 -0.18 1.05 2.02 -1.21 0.19 112.91 116.61 1j1j h THR 40 Ca 0.49 -0.15 -0.02 0.00 0.77 0.00 0.00 66.41 67.50 1j1j h THR 40 Cb 0.58 0.46 -0.01 0.00 -1.74 0.00 0.00 68.15 67.45 1j1j h THR 40 CO -0.26 0.08 0.04 -0.07 0.37 0.00 0.00 175.52 175.68 1j1j h LEU 41 N 0.43 0.28 0.17 2.58 3.38 -0.91 -1.92 115.31 119.32 1j1j h LEU 41 Ca 0.21 -0.24 -0.01 0.00 0.09 0.00 0.00 57.88 57.93 1j1j h LEU 41 Cb 0.14 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 40.82 1j1j h LEU 41 CO -0.17 0.45 -0.08 -0.07 0.09 0.00 0.00 178.44 178.66 1j1j h LEU 42 N 0.09 -0.20 -2.09 1.67 3.38 -0.82 -3.13 115.31 114.22 1j1j h LEU 42 Ca 0.06 -0.31 0.00 0.00 0.09 0.00 0.00 57.88 57.71 1j1j h LEU 42 Cb 0.28 0.05 0.00 0.00 0.09 0.00 0.00 40.66 41.08 1j1j h LEU 42 CO 0.00 0.26 0.00 0.06 0.09 0.00 0.00 178.44 178.85 1j1j h GLN 43 N -0.70 0.00 -1.00 1.13 -0.00 -0.76 -2.36 115.11 111.42 1j1j h GLN 43 Ca -0.02 0.00 -0.00 0.00 -0.00 0.00 0.00 58.65 58.63 1j1j h GLN 43 Cb 0.50 0.00 -0.00 0.00 -0.00 0.00 0.00 27.48 27.98 1j1j h GLN 43 CO 0.04 0.00 0.00 0.41 -0.00 0.00 0.00 178.83 179.28 1j1j n GLY 44 N -0.42 1.52 0.00 0.06 0.00 -0.72 -2.71 105.19 102.92 1j1j n GLY 44 Ca -0.01 -0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.01 1j1j n GLY 44 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87 1j1j n VAL 45 N 0.02 0.00 -0.24 1.61 3.14 -0.89 -4.83 118.33 117.14 1j1j n VAL 45 Ca 0.00 -0.29 0.15 0.00 -2.96 0.00 0.00 64.34 61.25 1j1j n VAL 45 Cb 0.26 1.08 0.29 0.00 -1.06 0.00 0.00 33.84 34.41 1j1j n VAL 45 CO 0.00 0.00 0.00 1.41 -6.46 0.00 0.00 176.83 171.78 1j1j n HIS 46 N -0.46 0.60 -2.27 1.45 8.25 -1.10 -4.65 115.22 117.03 1j1j n HIS 46 Ca 0.00 0.84 0.00 0.00 -0.26 0.00 0.00 57.72 58.30 1j1j n HIS 46 Cb 0.02 -1.12 0.00 0.00 1.12 0.00 0.00 29.99 30.01 1j1j n HIS 46 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1j1j n GLN 47 N -4.81 1.72 0.00 -0.41 10.64 -1.26 -3.64 117.38 119.61 1j1j n GLN 47 Ca 0.21 0.00 0.00 0.00 -1.83 0.00 0.00 57.00 55.38 1j1j n GLN 47 Cb 0.69 0.00 0.00 0.00 -0.86 0.00 0.00 30.24 30.07 1j1j n GLN 47 CO 0.00 0.00 0.00 0.41 -1.83 0.00 0.00 177.06 175.64 1j1j n GLY 48 N 2.15 2.97 0.00 2.61 0.00 -1.26 -4.55 105.19 107.11 1j1j n GLY 48 Ca 0.00 -0.74 0.00 0.00 0.00 0.00 0.00 46.02 45.28 1j1j n GLY 48 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1j1j n ALA 49 N 0.00 0.00 -0.46 4.61 0.00 -1.24 -4.89 120.51 118.53 1j1j n ALA 49 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1j1j n ALA 49 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 1j1j n ALA 49 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1j1j n GLY 50 N 0.00 -0.88 3.44 0.00 0.00 -1.25 -4.20 105.19 102.29 1j1j n GLY 50 Ca 0.00 -0.64 -0.21 0.00 0.00 0.00 0.00 46.02 45.17 1j1j n GLY 50 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1j1j s PHE 51 N 0.00 1.94 -2.00 1.61 5.36 -1.26 -4.97 117.98 118.65 1j1j s PHE 51 Ca 0.00 -0.86 0.05 0.00 -0.96 0.00 0.00 56.93 55.16 1j1j s PHE 51 Cb 0.00 -1.21 0.31 0.00 -0.34 0.00 0.00 43.02 41.78 1j1j s PHE 51 CO 0.00 0.11 0.72 0.00 -1.46 0.00 0.00 175.22 174.59 1j1j n GLN 52 N -0.64 0.41 0.05 10.12 10.64 -1.26 -2.51 117.38 134.20 1j1j n GLN 52 Ca -0.04 0.00 -0.03 0.00 -1.83 0.00 0.00 57.00 55.10 1j1j n GLN 52 Cb 0.65 -1.20 0.20 0.00 -0.86 0.00 0.00 30.24 29.04 1j1j n GLN 52 CO 0.00 0.00 0.00 0.22 -1.83 0.00 0.00 177.06 175.45 1j1j h ASP 53 N 0.00 0.38 -0.58 2.61 -0.00 -2.00 -3.21 116.42 113.62 1j1j h ASP 53 Ca 0.00 -0.15 0.11 0.00 -0.00 0.00 0.00 57.03 56.99 1j1j h ASP 53 Cb 0.00 -0.11 -0.11 0.00 -0.00 0.00 0.00 39.33 39.11 1j1j h ASP 53 CO 0.00 0.71 -0.27 0.40 -0.00 0.00 0.00 179.24 180.08 1j1j h ILE 54 N 0.32 0.24 -0.76 2.25 1.08 -1.88 0.15 117.51 118.91 1j1j h ILE 54 Ca 0.04 0.00 -0.03 0.00 -0.39 0.00 0.00 64.86 64.48 1j1j h ILE 54 Cb 0.77 0.24 -0.04 0.00 -3.07 0.00 0.00 36.82 34.73 1j1j h ILE 54 CO 0.06 0.00 0.36 -0.65 -0.69 0.00 0.00 178.15 177.23 1j1j h PRO 55 N -0.12 1.09 -0.39 2.37 0.11 -1.84 -1.22 132.00 132.00 1j1j h PRO 55 Ca 0.25 -0.16 -0.01 0.00 0.11 0.00 0.00 66.00 66.19 1j1j h PRO 55 Cb 0.52 -0.20 -0.02 0.00 0.11 0.00 0.00 31.00 31.42 1j1j h PRO 55 CO -0.65 0.85 0.20 -0.22 -0.21 0.00 0.00 178.00 177.96 1j1j h LYS 56 N 1.08 0.56 -0.18 1.05 3.64 -0.93 -2.15 116.57 119.64 1j1j h LYS 56 Ca 0.26 -0.08 -0.13 0.00 -1.27 0.00 0.00 60.65 59.43 1j1j h LYS 56 Cb 0.12 -0.10 -0.01 0.00 -0.41 0.00 0.00 32.23 31.83 1j1j h LYS 56 CO -0.03 0.48 -0.46 0.00 -2.27 0.00 0.00 179.45 177.18 1j1j h ARG 57 N 0.50 0.45 -0.31 1.90 3.08 -0.63 -2.44 114.38 116.94 1j1j h ARG 57 Ca 0.14 -0.25 -0.07 0.00 0.07 0.00 0.00 59.98 59.87 1j1j h ARG 57 Cb 0.10 0.01 -0.02 0.00 0.08 0.00 0.00 29.97 30.15 1j1j h ARG 57 CO -0.02 0.82 -0.10 0.00 -1.07 0.00 0.00 179.97 179.60 1j1j h LEU 59 N 0.48 0.71 -0.66 0.00 3.38 -1.23 -0.87 115.31 117.12 1j1j h LEU 59 Ca 0.09 -0.45 -0.14 0.00 0.09 0.00 0.00 57.88 57.47 1j1j h LEU 59 Cb 0.47 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 41.00 1j1j h LEU 59 CO 0.03 1.22 -0.42 0.11 0.09 0.00 0.00 178.44 179.46 1j1j h LYS 60 N 0.43 0.56 -0.67 1.13 1.57 -1.17 0.40 116.57 118.82 1j1j h LYS 60 Ca -0.03 -0.29 -0.04 0.00 -1.87 0.00 0.00 60.65 58.42 1j1j h LYS 60 Cb 1.31 0.01 -0.03 0.00 0.08 0.00 0.00 32.23 33.60 1j1j h LYS 60 CO 0.14 0.88 0.26 0.00 -0.57 0.00 0.00 179.45 180.16 1j1j h ALA 61 N 1.08 1.21 -0.30 3.86 0.00 -0.67 -1.72 119.26 122.72 1j1j h ALA 61 Ca 0.04 -0.17 -0.13 0.00 0.00 0.00 0.00 54.91 54.64 1j1j h ALA 61 Cb 0.92 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 18.44 1j1j h ALA 61 CO 0.08 0.57 -0.36 0.00 0.00 0.00 0.00 179.25 179.55 1j1j h ARG 62 N 0.96 0.69 -0.36 0.00 3.08 -0.44 -1.66 114.38 116.65 1j1j h ARG 62 Ca 0.22 -0.34 0.03 0.00 0.07 0.00 0.00 59.98 59.97 1j1j h ARG 62 Cb 0.19 -0.00 -0.03 0.00 0.08 0.00 0.00 29.97 30.20 1j1j h ARG 62 CO -0.02 0.94 0.16 0.93 -1.07 0.00 0.00 179.97 180.92 1j1j h GLU 63 N 0.58 0.33 -0.71 0.04 5.08 -0.37 -1.60 114.58 117.93 1j1j h GLU 63 Ca 0.06 -0.02 0.04 0.00 -1.00 0.00 0.00 59.36 58.44 1j1j h GLU 63 Cb 0.88 -0.08 -0.04 0.00 0.50 0.00 0.00 28.75 30.01 1j1j h GLU 63 CO 0.08 0.22 0.47 0.45 -1.00 0.00 0.00 179.01 179.22 1j1j h HIS 64 N 0.34 0.81 0.00 4.33 3.86 -1.05 0.13 115.15 123.57 1j1j h HIS 64 Ca 0.16 0.02 0.00 0.00 -1.16 0.00 0.00 60.37 59.39 1j1j h HIS 64 Cb 0.09 -0.27 0.00 0.00 1.06 0.00 0.00 27.41 28.29 1j1j h HIS 64 CO -0.11 0.47 0.00 0.74 0.86 0.00 0.00 177.93 179.88 1j1j h PHE 65 N 0.83 0.00 -0.18 2.45 -1.00 -0.33 0.87 116.94 119.57 1j1j h PHE 65 Ca 0.29 0.00 -0.09 0.00 2.81 0.00 0.00 57.97 60.98 1j1j h PHE 65 Cb 0.09 0.00 -0.01 0.00 3.61 0.00 0.00 35.95 39.64 1j1j h PHE 65 CO -0.00 0.00 -0.28 0.78 -1.61 0.00 0.00 178.31 177.20 1j1j h GLY 66 N 0.85 0.38 1.41 -1.45 0.00 -0.43 -1.11 103.07 102.71 1j1j h GLY 66 Ca 0.00 -0.31 -0.19 0.00 0.00 0.00 0.00 47.33 46.83 1j1j h GLY 66 CO 0.00 0.28 -0.69 -0.84 0.00 0.00 0.00 176.54 175.29 1j1j h THR 67 N 0.31 1.33 -0.67 4.70 2.02 -0.89 -2.98 112.91 116.73 1j1j h THR 67 Ca 0.05 -1.98 -0.04 0.00 0.77 0.00 0.00 66.41 65.21 1j1j h THR 67 Cb 0.66 1.95 -0.03 0.00 -1.74 0.00 0.00 68.15 68.99 1j1j h THR 67 CO 0.05 0.61 0.28 0.58 0.37 0.00 0.00 175.52 177.41 1j1j h VAL 68 N 0.42 1.24 -0.85 3.16 2.07 -0.99 -1.90 116.25 119.41 1j1j h VAL 68 Ca -0.02 -0.73 0.01 0.00 0.82 0.00 0.00 66.70 66.77 1j1j h VAL 68 Cb 1.27 0.47 -0.04 0.00 -1.52 0.00 0.00 31.29 31.48 1j1j h VAL 68 CO 0.13 0.29 0.56 0.11 0.02 0.00 0.00 177.57 178.68 1j1j h LYS 69 N 0.94 1.12 0.13 1.57 1.57 -1.20 -1.05 116.57 119.66 1j1j h LYS 69 Ca 0.22 -0.07 -0.01 0.00 -1.87 0.00 0.00 60.65 58.93 1j1j h LYS 69 Cb 0.19 -0.25 0.00 0.00 0.08 0.00 0.00 32.23 32.25 1j1j h LYS 69 CO -0.02 0.75 -0.06 1.15 -0.57 0.00 0.00 179.45 180.69 1j1j h THR 70 N 1.15 0.99 -0.92 -0.16 2.02 -1.33 -1.48 112.91 113.19 1j1j h THR 70 Ca 0.31 -0.55 0.02 0.00 0.77 0.00 0.00 66.41 66.96 1j1j h THR 70 Cb -0.12 1.34 -0.05 0.00 -1.74 0.00 0.00 68.15 67.57 1j1j h THR 70 CO -0.07 0.13 0.61 0.45 0.37 0.00 0.00 175.52 177.01 1j1j h HIS 71 N -0.44 1.14 -0.53 3.16 3.86 -1.23 0.43 115.15 121.54 1j1j h HIS 71 Ca -0.02 0.03 -0.08 0.00 -1.16 0.00 0.00 60.37 59.14 1j1j h HIS 71 Cb 0.35 -0.38 -0.02 0.00 1.06 0.00 0.00 27.41 28.41 1j1j h HIS 71 CO 0.01 0.70 0.01 -0.07 0.86 0.00 0.00 177.93 179.44 1j1j h LEU 72 N 1.22 0.87 -0.77 2.43 3.38 -1.13 0.50 115.31 121.81 1j1j h LEU 72 Ca 0.34 -0.22 -0.00 0.00 0.09 0.00 0.00 57.88 58.09 1j1j h LEU 72 Cb -0.10 -0.23 -0.04 0.00 0.09 0.00 0.00 40.66 40.38 1j1j h LEU 72 CO -0.08 0.93 0.48 0.74 0.09 0.00 0.00 178.44 180.59 1j1j h THR 73 N 0.83 1.21 -0.27 0.22 2.02 -0.16 0.23 112.91 117.00 1j1j h THR 73 Ca 0.16 -0.44 -0.09 0.00 0.77 0.00 0.00 66.41 66.81 1j1j h THR 73 Cb 0.49 0.12 -0.01 0.00 -1.74 0.00 0.00 68.15 67.00 1j1j h THR 73 CO 0.02 0.21 -0.21 -1.28 0.37 0.00 0.00 175.52 174.63 1j1j h SER 74 N 1.04 0.49 -0.70 4.18 0.87 -0.07 -2.79 113.55 116.56 1j1j h SER 74 Ca 0.28 -0.15 -0.07 0.00 -1.23 0.00 0.00 61.79 60.61 1j1j h SER 74 Cb -0.07 -0.13 -0.03 0.00 -0.44 0.00 0.00 62.40 61.73 1j1j h SER 74 CO -0.05 0.71 0.15 0.25 -0.53 0.00 0.00 176.83 177.36 1j1j h LEU 75 N 0.44 1.08 -1.39 2.23 5.85 0.13 -1.33 115.31 122.32 1j1j h LEU 75 Ca 0.07 -0.24 0.00 0.00 0.84 0.00 0.00 57.88 58.55 1j1j h LEU 75 Cb 0.62 -0.29 0.00 0.00 0.37 0.00 0.00 40.66 41.36 1j1j h LEU 75 CO 0.04 1.05 0.00 0.11 -0.34 0.00 0.00 178.44 179.30 1j1j h LYS 76 N 1.08 0.00 0.04 1.25 1.57 -0.73 -1.86 116.57 117.91 1j1j h LYS 76 Ca 0.22 0.00 -0.22 0.00 -1.87 0.00 0.00 60.65 58.78 1j1j h LYS 76 Cb 0.40 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.70 1j1j h LYS 76 CO 0.01 0.00 -1.00 1.15 -0.57 0.00 0.00 179.45 179.04 1j1j h THR 77 N 0.00 1.53 0.00 -0.16 2.02 -1.19 -3.36 112.91 111.75 1j1j h THR 77 Ca 0.00 -2.86 0.00 0.00 0.77 0.00 0.00 66.41 64.32 1j1j h THR 77 Cb 0.09 2.65 0.00 0.00 -1.74 0.00 0.00 68.15 69.16 1j1j h THR 77 CO 0.00 0.83 0.00 0.29 0.37 0.00 0.00 175.52 177.01 1j1j n LYS 78 N -3.58 0.16 -3.66 6.66 4.76 -0.70 -4.88 118.16 116.92 1j1j n LYS 78 Ca -0.04 0.10 -0.11 0.00 -2.87 0.00 0.00 58.31 55.38 1j1j n LYS 78 Cb 0.89 -1.50 -0.05 0.00 -1.84 0.00 0.00 35.03 32.52 1j1j n LYS 78 CO 0.00 0.00 0.00 -0.59 -1.37 0.00 0.00 177.40 175.44 1j1j s PHE 79 N -2.79 -0.21 0.01 2.13 -0.12 -1.26 -4.78 117.98 110.96 1j1j s PHE 79 Ca 0.16 -0.00 -0.33 0.00 -0.05 0.00 0.00 56.93 56.71 1j1j s PHE 79 Cb 0.15 0.22 -0.12 0.00 -0.63 0.00 0.00 43.02 42.65 1j1j s PHE 79 CO 0.37 -0.64 1.83 -2.30 -0.05 0.00 0.00 175.22 174.43 1j1j n PRO 80 N 0.08 2.34 0.00 1.99 -0.02 -1.26 -4.77 135.00 133.37 1j1j n PRO 80 Ca -0.17 0.86 0.00 0.00 -2.02 0.00 0.00 63.50 62.17 1j1j n PRO 80 Cb 0.62 -2.71 0.00 0.00 -0.02 0.00 0.00 33.50 31.39 1j1j n PRO 80 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1j1j n ALA 81 N 5.97 1.32 0.00 3.55 0.00 -1.26 -0.50 120.51 129.59 1j1j n ALA 81 Ca 0.21 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.65 1j1j n ALA 81 Cb 0.32 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.77 1j1j n ALA 81 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.50 176.65 1j1j n GLU 82 N 0.56 2.86 -1.39 0.00 -0.00 -1.26 -4.64 120.64 116.76 1j1j n GLU 82 Ca 0.00 0.00 -0.32 0.00 -0.00 0.00 0.00 57.16 56.84 1j1j n GLU 82 Cb 0.04 -0.67 0.08 0.00 -0.00 0.00 0.00 31.44 30.89 1j1j n GLU 82 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.13 178.17 1j1j n GLN 83 N -0.90 2.75 0.24 3.44 6.02 0.35 -4.76 117.38 124.51 1j1j n GLN 83 Ca 0.00 -3.37 -0.13 0.00 -0.01 0.00 0.00 57.00 53.49 1j1j n GLN 83 Cb 0.00 -2.27 -0.07 0.00 1.02 0.00 0.00 30.24 28.92 1j1j n GLN 83 CO 0.00 0.00 0.00 -0.92 -1.01 0.00 0.00 177.06 175.13 1j1j h TYR 84 N 1.92 -1.01 0.00 1.08 3.20 -1.86 -2.54 116.97 117.76 1j1j h TYR 84 Ca 0.58 0.00 0.00 0.00 3.14 0.00 0.00 58.73 62.45 1j1j h TYR 84 Cb 1.07 0.39 0.00 0.00 1.54 0.00 0.00 36.73 39.73 1j1j h TYR 84 CO 1.38 -0.50 0.00 0.66 -1.64 0.00 0.00 178.16 178.06 1j1j n TYR 85 N -4.63 0.48 0.02 -3.82 4.02 -1.26 0.35 117.16 112.32 1j1j n TYR 85 Ca -0.09 0.21 -0.19 0.00 -0.01 0.00 0.00 57.90 57.82 1j1j n TYR 85 Cb 0.34 -0.83 -0.10 0.00 -0.02 0.00 0.00 39.34 38.73 1j1j n TYR 85 CO 0.00 0.00 0.00 -0.09 -1.01 0.00 0.00 176.86 175.76 1j1j h ARG 86 N 0.00 0.63 -0.01 -0.72 2.43 -1.82 -3.31 114.38 111.58 1j1j h ARG 86 Ca 0.00 -0.65 0.00 0.00 -0.81 0.00 0.00 59.98 58.52 1j1j h ARG 86 Cb 0.22 0.18 0.00 0.00 -0.42 0.00 0.00 29.97 29.95 1j1j h ARG 86 CO 0.00 1.25 -0.67 1.19 -1.51 0.00 0.00 179.97 180.24 1j1j n PHE 87 N -3.98 0.00 -0.30 2.20 3.01 -0.88 -4.63 117.46 112.89 1j1j n PHE 87 Ca -0.10 0.00 0.28 0.00 1.01 0.00 0.00 57.45 58.64 1j1j n PHE 87 Cb 0.80 0.00 0.52 0.00 -0.01 0.00 0.00 39.48 40.79 1j1j n PHE 87 CO 0.00 0.00 0.00 1.58 1.01 0.00 0.00 176.76 179.35 1j1j n HIS 88 N -0.67 1.04 0.12 1.38 -0.00 0.15 -0.73 115.22 116.51 1j1j n HIS 88 Ca 0.07 1.09 0.19 0.00 0.46 0.00 0.00 57.72 59.53 1j1j n HIS 88 Cb 0.38 -1.47 0.77 0.00 -0.12 0.00 0.00 29.99 29.55 1j1j n HIS 88 CO 0.00 0.00 0.00 0.93 0.46 0.00 0.00 176.34 177.73 1j1j h GLU 89 N 0.00 0.00 -0.04 1.57 5.08 -1.82 -2.16 114.58 117.21 1j1j h GLU 89 Ca 0.76 0.00 -0.14 0.00 -1.00 0.00 0.00 59.36 58.99 1j1j h GLU 89 Cb 1.99 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 31.23 1j1j h GLU 89 CO -0.73 0.00 -0.61 0.45 -1.00 0.00 0.00 179.01 177.13 1j1j h HIS 90 N 0.00 0.16 -0.13 4.33 3.86 -1.31 -3.29 115.15 118.78 1j1j h HIS 90 Ca 0.16 -0.06 0.00 0.00 -1.16 0.00 0.00 60.37 59.31 1j1j h HIS 90 Cb 0.84 -0.03 0.00 0.00 1.06 0.00 0.00 27.41 29.28 1j1j h HIS 90 CO 0.00 0.70 0.00 -2.67 0.86 0.00 0.00 177.93 176.82 1j1j n TRP 91 N -3.85 0.17 -0.13 2.45 4.27 -1.02 -4.71 117.44 114.62 1j1j n TRP 91 Ca -0.02 -0.39 -0.04 0.00 -3.89 0.00 0.00 57.50 53.16 1j1j n TRP 91 Cb 0.61 -0.03 0.02 0.00 -1.36 0.00 0.00 31.31 30.55 1j1j n TRP 91 CO 0.00 0.00 0.00 -0.09 -2.29 0.00 0.00 177.69 175.31 1j1j h ARG 92 N 0.96 0.00 0.55 -2.67 2.43 -1.47 0.19 114.38 114.37 1j1j h ARG 92 Ca 0.00 -0.00 -0.03 0.00 -0.81 0.00 0.00 59.98 59.14 1j1j h ARG 92 Cb 0.52 -0.00 0.01 0.00 -0.42 0.00 0.00 29.97 30.07 1j1j h ARG 92 CO 0.00 0.00 -0.26 0.35 -1.51 0.00 0.00 179.97 178.55 1j1j h PHE 93 N 0.00 -0.68 -0.61 2.20 3.57 -1.84 -2.41 116.94 117.17 1j1j h PHE 93 Ca 0.21 -0.02 -0.01 0.00 3.53 0.00 0.00 57.97 61.68 1j1j h PHE 93 Cb 0.32 0.23 -0.03 0.00 2.79 0.00 0.00 35.95 39.25 1j1j h PHE 93 CO -0.38 -0.41 0.35 -0.24 -2.23 0.00 0.00 178.31 175.40 1j1j h VAL 94 N -0.78 1.18 0.11 1.41 3.04 -1.82 -1.98 116.25 117.42 1j1j h VAL 94 Ca -0.08 -0.43 -0.01 0.00 -1.01 0.00 0.00 66.70 65.18 1j1j h VAL 94 Cb 0.58 0.34 0.00 0.00 -2.01 0.00 0.00 31.29 30.21 1j1j h VAL 94 CO 0.12 0.20 -0.05 0.25 -1.01 0.00 0.00 177.57 177.07 1j1j h LEU 95 N 0.84 -0.13 -0.99 3.16 6.46 -0.91 0.67 115.31 124.41 1j1j h LEU 95 Ca 0.22 -0.10 0.13 0.00 -0.12 0.00 0.00 57.88 58.01 1j1j h LEU 95 Cb 0.00 0.03 -0.09 0.00 -0.73 0.00 0.00 40.66 39.88 1j1j h LEU 95 CO -0.04 0.02 0.62 1.56 -0.62 0.00 0.00 178.44 179.98 1j1j h GLN 96 N -0.27 0.92 -0.49 1.25 4.20 -1.09 0.28 115.11 119.91 1j1j h GLN 96 Ca -0.02 -0.06 -0.09 0.00 0.06 0.00 0.00 58.65 58.55 1j1j h GLN 96 Cb 0.22 -0.21 -0.02 0.00 0.30 0.00 0.00 27.48 27.78 1j1j h GLN 96 CO 0.03 0.61 -0.06 0.00 -0.67 0.00 0.00 178.83 178.73 1j1j h ARG 97 N 0.95 0.91 -0.55 1.46 2.47 -1.00 -1.48 114.38 117.13 1j1j h ARG 97 Ca 0.50 -0.32 -0.06 0.00 -1.26 0.00 0.00 59.98 58.84 1j1j h ARG 97 Cb 0.54 -0.07 -0.02 0.00 -1.65 0.00 0.00 29.97 28.77 1j1j h ARG 97 CO -0.28 0.97 0.10 -0.07 0.56 0.00 0.00 179.97 181.24 1j1j h LEU 98 N 0.76 0.81 -0.36 3.04 3.38 0.14 0.17 115.31 123.25 1j1j h LEU 98 Ca 0.13 -0.16 -0.01 0.00 0.09 0.00 0.00 57.88 57.93 1j1j h LEU 98 Cb 0.60 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 41.12 1j1j h LEU 98 CO 0.04 0.82 0.20 0.58 0.09 0.00 0.00 178.44 180.17 1j1j h VAL 99 N 0.82 1.14 -0.03 1.22 2.07 -0.31 -0.81 116.25 120.35 1j1j h VAL 99 Ca 0.17 -0.35 0.01 0.00 0.82 0.00 0.00 66.70 67.36 1j1j h VAL 99 Cb 0.35 0.71 -0.01 0.00 -1.52 0.00 0.00 31.29 30.82 1j1j h VAL 99 CO 0.01 0.14 -0.04 0.15 0.02 0.00 0.00 177.57 177.85 1j1j h PHE 100 N 0.46 -0.09 -0.38 1.57 3.57 -0.68 -0.04 116.94 121.35 1j1j h PHE 100 Ca 0.13 0.01 -0.03 0.00 3.53 0.00 0.00 57.97 61.61 1j1j h PHE 100 Cb 0.05 0.05 -0.02 0.00 2.79 0.00 0.00 35.95 38.81 1j1j h PHE 100 CO -0.03 -0.06 0.12 -0.07 -2.23 0.00 0.00 178.31 176.04 1j1j h LEU 101 N -0.06 0.49 -0.08 0.59 3.38 -0.78 0.23 115.31 119.08 1j1j h LEU 101 Ca 0.03 -0.06 -0.02 0.00 0.09 0.00 0.00 57.88 57.92 1j1j h LEU 101 Cb 0.09 -0.13 -0.00 0.00 0.09 0.00 0.00 40.66 40.71 1j1j h LEU 101 CO -0.06 0.48 -0.02 0.00 0.09 0.00 0.00 178.44 178.93 1j1j h ALA 102 N 1.60 0.11 -0.51 1.53 0.00 -0.76 -0.88 119.26 120.35 1j1j h ALA 102 Ca 0.13 -0.21 -0.03 0.00 0.00 0.00 0.00 54.91 54.80 1j1j h ALA 102 Cb 0.16 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 17.90 1j1j h ALA 102 CO -0.01 -0.17 0.18 0.00 0.00 0.00 0.00 179.25 179.25 1j1j h ALA 103 N 0.68 1.36 -0.26 0.00 0.00 -0.54 -1.49 119.26 119.02 1j1j h ALA 103 Ca 0.02 -0.15 -0.02 0.00 0.00 0.00 0.00 54.91 54.76 1j1j h ALA 103 Cb 0.41 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.98 1j1j h ALA 103 CO 0.01 0.47 0.08 0.35 0.00 0.00 0.00 179.25 180.16 1j1j h PHE 104 N 0.73 0.42 0.15 0.00 3.57 -0.35 0.17 116.94 121.63 1j1j h PHE 104 Ca 0.17 -0.04 0.01 0.00 3.53 0.00 0.00 57.97 61.64 1j1j h PHE 104 Cb 0.18 -0.12 -0.02 0.00 2.79 0.00 0.00 35.95 38.78 1j1j h PHE 104 CO 0.01 0.46 -0.17 0.28 -2.23 0.00 0.00 178.31 176.66 1j1j h VAL 105 N 0.25 0.62 -0.78 1.41 2.07 -0.68 -0.52 116.25 118.63 1j1j h VAL 105 Ca 0.08 0.00 0.05 0.00 0.82 0.00 0.00 66.70 67.65 1j1j h VAL 105 Cb 0.24 0.62 -0.05 0.00 -1.52 0.00 0.00 31.29 30.58 1j1j h VAL 105 CO -0.00 0.00 0.48 0.58 0.02 0.00 0.00 177.57 178.65 1j1j h VAL 106 N -0.36 1.06 -0.44 2.57 2.07 -1.12 -0.83 116.25 119.21 1j1j h VAL 106 Ca 0.01 -0.31 -0.02 0.00 0.82 0.00 0.00 66.70 67.20 1j1j h VAL 106 Cb 0.35 0.08 -0.02 0.00 -1.52 0.00 0.00 31.29 30.18 1j1j h VAL 106 CO -0.06 0.16 0.20 0.22 0.02 0.00 0.00 177.57 178.12 1j1j h TYR 107 N 0.90 0.64 -0.50 1.57 3.20 -0.33 0.91 116.97 123.36 1j1j h TYR 107 Ca 0.33 -0.04 -0.02 0.00 3.14 0.00 0.00 58.73 62.14 1j1j h TYR 107 Cb 0.10 -0.20 -0.02 0.00 1.54 0.00 0.00 36.73 38.15 1j1j h TYR 107 CO -0.04 0.53 0.24 -0.07 -1.64 0.00 0.00 178.16 177.18 1j1j h LEU 108 N 0.56 0.63 0.16 2.82 3.38 -0.55 0.80 115.31 123.11 1j1j h LEU 108 Ca 0.15 -0.06 -0.27 0.00 0.09 0.00 0.00 57.88 57.80 1j1j h LEU 108 Cb 0.14 -0.16 0.03 0.00 0.09 0.00 0.00 40.66 40.76 1j1j h LEU 108 CO -0.02 0.54 -1.14 -0.33 0.09 0.00 0.00 178.44 177.59 1j1j h GLU 109 N 0.71 0.49 0.00 1.13 5.08 -0.74 -3.42 114.58 117.83 1j1j h GLU 109 Ca 0.18 -0.74 0.00 0.00 -1.00 0.00 0.00 59.36 57.80 1j1j h GLU 109 Cb 0.08 0.26 0.00 0.00 0.50 0.00 0.00 28.75 29.59 1j1j h GLU 109 CO -0.02 1.34 0.00 0.25 -1.00 0.00 0.00 179.01 179.57 1j1j n THR 110 N -3.91 0.07 -3.22 1.13 -2.24 0.28 -5.01 114.28 101.37 1j1j n THR 110 Ca -0.15 -0.32 -0.23 0.00 -2.27 0.00 0.00 64.05 61.08 1j1j n THR 110 Cb 0.95 1.34 0.04 0.00 -2.10 0.00 0.00 70.33 70.56 1j1j n THR 110 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1j1j n GLU 111 N -0.03 -5.58 -4.37 -0.78 1.02 0.28 -4.99 120.64 106.19 1j1j n GLU 111 Ca 0.00 0.85 -0.19 0.00 -0.02 0.00 0.00 57.16 57.80 1j1j n GLU 111 Cb 0.14 -5.75 -0.10 0.00 -0.02 0.00 0.00 31.44 25.70 1j1j n GLU 111 CO 0.00 0.00 0.00 0.99 1.18 0.00 0.00 177.13 179.30 1j1j s THR 112 N -3.20 1.70 -0.31 2.62 2.01 -1.26 -5.00 115.64 112.19 1j1j s THR 112 Ca 0.40 -2.19 -0.21 0.00 0.31 0.00 0.00 61.69 60.00 1j1j s THR 112 Cb -0.18 -2.15 -0.01 0.00 0.01 0.00 0.00 72.50 70.17 1j1j s THR 112 CO 0.49 -0.52 0.65 -0.22 -0.69 0.00 0.00 174.62 174.33 1j1j s LEU 113 N -3.35 4.16 0.30 4.42 2.96 -1.26 -3.65 118.68 122.25 1j1j s LEU 113 Ca 0.24 0.40 -0.30 0.00 -0.22 0.00 0.00 54.13 54.26 1j1j s LEU 113 Cb 0.00 -2.84 -0.11 0.00 0.50 0.00 0.00 46.19 43.74 1j1j s LEU 113 CO 0.08 -0.51 1.57 0.54 -1.32 0.00 0.00 176.35 176.71 1j1j s VAL 114 N 2.67 2.10 0.67 1.68 0.11 -1.26 -4.97 120.40 121.39 1j1j s VAL 114 Ca 0.26 0.08 -0.13 0.00 -2.93 0.00 0.00 61.98 59.26 1j1j s VAL 114 Cb -0.15 -3.05 0.00 0.00 -1.53 0.00 0.00 36.38 31.65 1j1j s VAL 114 CO 0.12 0.01 1.08 0.42 -3.33 0.00 0.00 175.10 173.40 1j1j s THR 115 N -0.13 3.65 0.26 5.04 -4.23 -1.26 -4.92 115.64 114.06 1j1j s THR 115 Ca 0.62 0.66 -0.05 0.00 -1.18 0.00 0.00 61.69 61.74 1j1j s THR 115 Cb -0.47 -3.24 0.26 0.00 1.34 0.00 0.00 72.50 70.39 1j1j s THR 115 CO 0.49 -0.58 1.94 -0.09 -0.54 0.00 0.00 174.62 175.84 1j1j h ARG 116 N -0.26 1.26 -0.59 3.99 2.43 -2.00 -2.29 114.38 116.93 1j1j h ARG 116 Ca -0.45 -0.08 -0.09 0.00 -0.81 0.00 0.00 59.98 58.55 1j1j h ARG 116 Cb 1.22 -0.29 -0.02 0.00 -0.42 0.00 0.00 29.97 30.47 1j1j h ARG 116 CO 0.55 0.84 0.02 0.93 -1.51 0.00 0.00 179.97 180.80 1j1j h GLU 117 N 1.30 1.01 0.00 0.20 3.07 -1.97 -2.12 114.58 116.08 1j1j h GLU 117 Ca 0.36 -0.30 -0.03 0.00 -0.50 0.00 0.00 59.36 58.89 1j1j h GLU 117 Cb -0.13 -0.10 -0.00 0.00 -0.84 0.00 0.00 28.75 27.67 1j1j h GLU 117 CO -0.08 0.98 -0.14 0.00 -1.40 0.00 0.00 179.01 178.37 1j1j h ALA 118 N 1.07 1.57 -0.17 3.43 0.00 -1.80 -1.22 119.26 122.14 1j1j h ALA 118 Ca 0.17 -0.13 -0.20 0.00 0.00 0.00 0.00 54.91 54.76 1j1j h ALA 118 Cb 0.52 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.29 1j1j h ALA 118 CO 0.03 0.17 -0.68 0.28 0.00 0.00 0.00 179.25 179.05 1j1j h VAL 119 N 0.00 1.30 -0.71 0.00 2.07 -0.98 -2.09 116.25 115.85 1j1j h VAL 119 Ca -0.00 -1.93 0.05 0.00 0.82 0.00 0.00 66.70 65.65 1j1j h VAL 119 Cb 0.28 1.90 -0.05 0.00 -1.52 0.00 0.00 31.29 31.89 1j1j h VAL 119 CO 0.02 0.61 0.42 0.74 0.02 0.00 0.00 177.57 179.37 1j1j h THR 120 N 0.50 1.00 -0.21 2.57 2.02 -0.62 -0.20 112.91 117.97 1j1j h THR 120 Ca -0.02 -0.26 -0.14 0.00 0.77 0.00 0.00 66.41 66.75 1j1j h THR 120 Cb 1.28 0.17 -0.01 0.00 -1.74 0.00 0.00 68.15 67.85 1j1j h THR 120 CO 0.14 0.14 -0.45 -0.33 0.37 0.00 0.00 175.52 175.38 1j1j h GLU 121 N 0.77 0.53 -0.36 6.66 5.08 -1.23 -1.00 114.58 125.04 1j1j h GLU 121 Ca 0.31 -0.29 -0.13 0.00 -1.00 0.00 0.00 59.36 58.25 1j1j h GLU 121 Cb 0.16 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.41 1j1j h GLU 121 CO -0.17 0.88 -0.31 0.82 -1.00 0.00 0.00 179.01 179.23 1j1j h ILE 122 N 0.43 1.28 -0.00 3.13 2.04 -0.87 -2.83 117.51 120.69 1j1j h ILE 122 Ca 0.03 -1.46 0.00 0.00 1.00 0.00 0.00 64.86 64.43 1j1j h ILE 122 Cb 0.96 1.34 0.00 0.00 -0.74 0.00 0.00 36.82 38.38 1j1j h ILE 122 CO 0.09 0.48 -0.06 0.18 0.00 0.00 0.00 178.15 178.83 1j1j n LEU 123 N -4.08 0.25 -0.21 1.44 4.77 -0.13 -4.72 117.00 114.33 1j1j n LEU 123 Ca -0.01 0.13 -0.03 0.00 -0.03 0.00 0.00 56.01 56.07 1j1j n LEU 123 Cb 0.49 -0.22 -0.01 0.00 -2.33 0.00 0.00 43.42 41.34 1j1j n LEU 123 CO 0.46 0.05 -0.03 0.61 -1.33 0.00 0.00 177.39 177.15 1j1j n GLY 124 N 1.28 0.50 2.44 -0.72 0.00 -0.51 -4.25 105.19 103.92 1j1j n GLY 124 Ca 0.14 -0.15 -0.14 0.00 0.00 0.00 0.00 46.02 45.88 1j1j n GLY 124 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 1j1j n ILE 125 N -2.56 0.00 -4.00 -0.61 -5.35 -0.50 -4.96 119.36 101.39 1j1j n ILE 125 Ca -0.03 -1.04 -0.26 0.00 -0.27 0.00 0.00 62.75 61.15 1j1j n ILE 125 Cb 0.27 -0.99 -0.04 0.00 -1.74 0.00 0.00 39.64 37.14 1j1j n ILE 125 CO 0.00 0.00 0.00 -1.83 -1.76 0.00 0.00 176.55 172.96 1j1j s GLU 126 N -3.99 3.22 0.67 6.28 1.03 -1.15 -4.51 118.70 120.25 1j1j s GLU 126 Ca 0.41 -0.71 -0.17 0.00 0.03 0.00 0.00 54.97 54.53 1j1j s GLU 126 Cb -0.03 -2.84 -0.01 0.00 -0.80 0.00 0.00 34.13 30.46 1j1j s GLU 126 CO 0.27 0.51 1.17 -2.30 -1.33 0.00 0.00 175.26 173.57 1j1j n PRO 127 N -0.47 0.88 -0.11 -4.83 -0.02 -1.26 -4.42 135.00 124.76 1j1j n PRO 127 Ca -0.08 0.36 0.00 0.00 -2.02 0.00 0.00 63.50 61.76 1j1j n PRO 127 Cb 0.54 -2.40 0.00 0.00 -0.02 0.00 0.00 33.50 31.62 1j1j n PRO 127 CO 0.00 0.00 0.00 -3.47 1.98 0.00 0.00 175.50 174.01 1j1j n ASP 128 N -1.79 1.90 -0.34 2.55 2.03 -1.26 -0.04 116.55 119.59 1j1j n ASP 128 Ca 0.15 -1.27 0.00 0.00 0.52 0.00 0.00 54.79 54.19 1j1j n ASP 128 Cb 0.48 -0.37 0.00 0.00 -0.72 0.00 0.00 41.12 40.51 1j1j n ASP 128 CO 0.00 0.00 0.00 -1.14 -1.92 0.00 0.00 177.20 174.14 1j1j n ARG 129 N 1.25 0.00 0.00 -0.67 3.00 -1.26 -5.04 116.66 113.94 1j1j n ARG 129 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.85 1j1j n ARG 129 Cb 0.23 0.00 0.00 0.00 0.00 0.00 0.00 32.46 32.69 1j1j n ARG 129 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.63 175.72 1j1j n GLU 130 N 0.00 0.00 0.00 -0.14 4.07 0.94 -5.15 120.64 120.36 1j1j n GLU 130 Ca 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 57.10 1j1j n GLU 130 Cb 0.49 0.00 0.00 0.00 -0.06 0.00 0.00 31.44 31.87 1j1j n GLU 130 CO 0.00 0.00 0.00 1.17 -0.06 0.00 0.00 177.13 178.24 1j1j n LYS 131 N 0.00 0.00 -2.80 5.31 3.00 -1.26 -5.05 118.16 117.36 1j1j n LYS 131 Ca 0.00 0.00 -0.42 0.00 -0.00 0.00 0.00 58.31 57.89 1j1j n LYS 131 Cb 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 35.03 35.00 1j1j n LYS 131 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.40 177.60 1j1j s GLY 132 N 0.00 2.23 -0.07 3.14 0.00 -1.26 -4.68 107.32 106.68 1j1j s GLY 132 Ca 0.00 0.20 -0.02 0.00 0.00 0.00 0.00 44.72 44.89 1j1j s GLY 132 CO 0.00 1.77 0.05 0.33 0.00 0.00 0.00 173.10 175.25 1j1j n PHE 133 N 5.09 -1.28 -4.65 1.90 7.35 -1.26 -4.49 117.46 120.12 1j1j n PHE 133 Ca 0.06 0.68 -0.29 0.00 -0.76 0.00 0.00 57.45 57.15 1j1j n PHE 133 Cb 0.49 -2.23 -0.09 0.00 0.35 0.00 0.00 39.48 37.99 1j1j n PHE 133 CO 0.00 0.00 0.00 -3.38 -0.76 0.00 0.00 176.76 172.62 1j1j s HIS 134 N -0.31 2.12 -0.33 -5.13 -3.43 -1.26 -2.96 115.29 103.99 1j1j s HIS 134 Ca -0.05 -0.88 -0.03 0.00 -0.80 0.00 0.00 55.06 53.29 1j1j s HIS 134 Cb 0.00 -1.59 0.06 0.00 -1.43 0.00 0.00 32.58 29.62 1j1j s HIS 134 CO 0.24 0.23 0.07 -1.17 -2.00 0.00 0.00 174.74 172.11 1j1j s LEU 135 N -3.74 4.29 0.66 5.38 0.20 -1.26 -5.04 118.68 119.17 1j1j s LEU 135 Ca 0.22 -1.40 -0.11 0.00 0.69 0.00 0.00 54.13 53.53 1j1j s LEU 135 Cb 0.06 -1.77 -0.01 0.00 -0.43 0.00 0.00 46.19 44.03 1j1j s LEU 135 CO 0.11 -0.34 1.05 1.51 -0.29 0.00 0.00 176.35 178.40 1j1j s ASP 136 N 1.41 5.76 0.29 3.68 3.84 -1.26 -4.79 116.67 125.60 1j1j s ASP 136 Ca -0.01 1.48 0.03 0.00 -0.00 0.00 0.00 52.55 54.04 1j1j s ASP 136 Cb -0.20 -2.43 0.66 0.00 -1.38 0.00 0.00 42.92 39.56 1j1j s ASP 136 CO -0.01 -1.18 1.77 0.58 -0.00 0.00 0.00 175.17 176.33 1j1j h VAL 137 N -0.54 0.71 -0.31 2.11 2.07 -1.99 -2.21 116.25 116.10 1j1j h VAL 137 Ca -0.44 -0.24 0.07 0.00 0.82 0.00 0.00 66.70 66.91 1j1j h VAL 137 Cb 1.21 -0.06 -0.07 0.00 -1.52 0.00 0.00 31.29 30.84 1j1j h VAL 137 CO 0.60 0.13 -0.19 -0.33 0.02 0.00 0.00 177.57 177.79 1j1j h GLU 138 N 0.71 -0.16 0.00 1.57 4.39 -2.00 -0.89 114.58 118.20 1j1j h GLU 138 Ca 0.53 0.01 -0.12 0.00 0.34 0.00 0.00 59.36 60.12 1j1j h GLU 138 Cb 0.80 0.04 -0.02 0.00 -0.10 0.00 0.00 28.75 29.47 1j1j h GLU 138 CO -0.38 -0.10 -0.59 -0.44 -1.16 0.00 0.00 179.01 176.34 1j1j h ASP 139 N -0.16 0.00 0.28 1.42 3.32 -1.84 -2.86 116.42 116.58 1j1j h ASP 139 Ca 0.16 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 57.20 1j1j h ASP 139 Cb 0.41 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.96 1j1j h ASP 139 CO -0.40 0.59 -0.13 0.22 -1.72 0.00 0.00 179.24 177.79 1j1j h TYR 140 N 0.00 -0.34 -0.73 4.55 3.20 -0.91 -2.30 116.97 120.44 1j1j h TYR 140 Ca -0.01 -0.01 0.06 0.00 3.14 0.00 0.00 58.73 61.92 1j1j h TYR 140 Cb 1.27 0.11 -0.04 0.00 1.54 0.00 0.00 36.73 39.61 1j1j h TYR 140 CO 0.00 -0.05 0.48 -0.07 -1.64 0.00 0.00 178.16 176.88 1j1j h LEU 141 N -0.63 0.67 -0.69 2.82 3.38 -1.22 -1.34 115.31 118.31 1j1j h LEU 141 Ca -0.04 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 57.87 1j1j h LEU 141 Cb 0.45 -0.14 -0.03 0.00 0.09 0.00 0.00 40.66 41.03 1j1j h LEU 141 CO 0.06 0.44 0.19 0.28 0.09 0.00 0.00 178.44 179.50 1j1j h SER 142 N 0.77 1.03 -0.35 -0.43 0.02 -1.42 -1.37 113.55 111.79 1j1j h SER 142 Ca 0.31 -0.22 -0.07 0.00 -0.84 0.00 0.00 61.79 60.97 1j1j h SER 142 Cb 0.24 -0.27 -0.02 0.00 0.14 0.00 0.00 62.40 62.49 1j1j h SER 142 CO -0.10 0.98 -0.02 1.23 -1.14 0.00 0.00 176.83 177.78 1j1j h GLY 143 N 1.02 0.79 1.43 -3.77 0.00 -0.68 -2.14 103.07 99.72 1j1j h GLY 143 Ca 0.22 -0.53 -0.12 0.00 0.00 0.00 0.00 47.33 46.90 1j1j h GLY 143 CO -0.00 0.49 -0.28 -2.08 0.00 0.00 0.00 176.54 174.67 1j1j h VAL 144 N 0.69 1.28 -0.55 4.60 2.07 -0.96 -1.22 116.25 122.16 1j1j h VAL 144 Ca 0.13 -1.39 -0.07 0.00 0.82 0.00 0.00 66.70 66.19 1j1j h VAL 144 Cb 0.46 1.34 -0.02 0.00 -1.52 0.00 0.00 31.29 31.55 1j1j h VAL 144 CO 0.02 0.45 0.04 -0.07 0.02 0.00 0.00 177.57 178.03 1j1j h LEU 145 N 0.56 0.87 -1.04 2.57 3.38 -0.87 -1.77 115.31 119.01 1j1j h LEU 145 Ca 0.07 -0.21 -0.10 0.00 0.09 0.00 0.00 57.88 57.73 1j1j h LEU 145 Cb 0.77 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 41.28 1j1j h LEU 145 CO 0.06 0.91 -0.42 0.40 0.09 0.00 0.00 178.44 179.48 1j1j h ILE 146 N 0.85 1.31 0.20 1.22 2.04 -1.13 -2.86 117.51 119.14 1j1j h ILE 146 Ca 0.17 -1.50 -0.01 0.00 1.00 0.00 0.00 64.86 64.52 1j1j h ILE 146 Cb 0.44 1.73 0.00 0.00 -0.74 0.00 0.00 36.82 38.26 1j1j h ILE 146 CO 0.02 0.44 -0.09 0.25 0.00 0.00 0.00 178.15 178.76 1j1j h LEU 147 N 0.11 -0.22 -0.64 1.44 6.46 -0.40 -2.70 115.31 119.36 1j1j h LEU 147 Ca 0.01 0.00 0.13 0.00 -0.12 0.00 0.00 57.88 57.91 1j1j h LEU 147 Cb 0.79 0.06 -0.10 0.00 -0.73 0.00 0.00 40.66 40.67 1j1j h LEU 147 CO 0.06 -0.15 0.05 0.00 -0.62 0.00 0.00 178.44 177.78 1j1j h ALA 148 N 0.54 0.69 -0.74 1.25 0.00 -1.16 -0.08 119.26 119.76 1j1j h ALA 148 Ca -0.03 0.18 0.06 0.00 0.00 0.00 0.00 54.91 55.12 1j1j h ALA 148 Cb 0.21 0.29 -0.06 0.00 0.00 0.00 0.00 17.79 18.23 1j1j h ALA 148 CO 0.04 -0.37 0.44 0.77 0.00 0.00 0.00 179.25 180.13 1j1j h SER 149 N 0.16 0.67 -0.18 0.00 0.02 -1.40 -0.43 113.55 112.38 1j1j h SER 149 Ca 0.34 0.02 -0.04 0.00 -0.84 0.00 0.00 61.79 61.28 1j1j h SER 149 Cb 0.56 -0.11 -0.02 0.00 0.14 0.00 0.00 62.40 62.97 1j1j h SER 149 CO -0.51 0.43 0.00 -0.08 -1.14 0.00 0.00 176.83 175.53 1j1j h GLU 150 N 0.80 0.44 -0.83 3.45 4.57 -0.75 -2.87 114.58 119.39 1j1j h GLU 150 Ca 0.33 -0.08 -0.04 0.00 -1.18 0.00 0.00 59.36 58.39 1j1j h GLU 150 Cb 0.18 -0.07 -0.04 0.00 -0.16 0.00 0.00 28.75 28.66 1j1j h GLU 150 CO -0.18 0.47 0.38 -0.07 -1.18 0.00 0.00 179.01 178.42 1j1j h LEU 151 N 0.43 1.11 -0.30 1.64 4.07 0.24 0.25 115.31 122.75 1j1j h LEU 151 Ca 0.10 -0.15 0.03 0.00 0.08 0.00 0.00 57.88 57.94 1j1j h LEU 151 Cb 0.28 -0.29 -0.03 0.00 1.08 0.00 0.00 40.66 41.70 1j1j h LEU 151 CO 0.01 0.95 0.12 0.28 -1.08 0.00 0.00 178.44 178.72 1j1j h SER 152 N 1.20 0.14 -0.44 -0.43 0.02 -1.22 0.30 113.55 113.13 1j1j h SER 152 Ca 0.28 0.03 -0.06 0.00 -0.84 0.00 0.00 61.79 61.20 1j1j h SER 152 Cb 0.16 0.01 -0.02 0.00 0.14 0.00 0.00 62.40 62.69 1j1j h SER 152 CO -0.03 0.12 0.03 -0.09 -1.14 0.00 0.00 176.83 175.71 1j1j h ARG 153 N 0.26 0.75 -0.70 3.45 2.43 -1.40 -2.39 114.38 116.77 1j1j h ARG 153 Ca 0.13 -0.23 0.07 0.00 -0.81 0.00 0.00 59.98 59.14 1j1j h ARG 153 Cb 0.09 -0.08 -0.06 0.00 -0.42 0.00 0.00 29.97 29.51 1j1j h ARG 153 CO -0.13 0.81 0.39 1.25 -1.51 0.00 0.00 179.97 180.78 1j1j h LEU 154 N 0.60 0.58 -0.59 3.80 6.46 -0.11 -1.77 115.31 124.28 1j1j h LEU 154 Ca 0.13 0.03 0.02 0.00 -0.12 0.00 0.00 57.88 57.94 1j1j h LEU 154 Cb 0.45 -0.08 -0.03 0.00 -0.73 0.00 0.00 40.66 40.26 1j1j h LEU 154 CO 0.02 0.37 0.37 -1.28 -0.62 0.00 0.00 178.44 177.29 1j1j h SER 155 N 0.71 0.62 -0.66 1.25 0.87 -0.67 -0.90 113.55 114.78 1j1j h SER 155 Ca 0.32 -0.01 -0.07 0.00 -1.23 0.00 0.00 61.79 60.80 1j1j h SER 155 Cb 0.22 -0.14 -0.03 0.00 -0.44 0.00 0.00 62.40 62.01 1j1j h SER 155 CO -0.19 0.44 0.13 0.58 -0.53 0.00 0.00 176.83 177.25 1j1j h VAL 156 N 0.74 1.26 -0.22 2.23 2.07 -0.91 -2.98 116.25 118.44 1j1j h VAL 156 Ca 0.23 -1.00 -0.13 0.00 0.82 0.00 0.00 66.70 66.62 1j1j h VAL 156 Cb -0.02 0.64 -0.01 0.00 -1.52 0.00 0.00 31.29 30.38 1j1j h VAL 156 CO -0.08 0.38 -0.43 0.78 0.02 0.00 0.00 177.57 178.24 1j1j h ASN 157 N 1.00 0.56 -0.86 0.57 4.21 -1.03 -2.84 115.58 117.19 1j1j h ASN 157 Ca 0.20 -0.25 0.07 0.00 1.21 0.00 0.00 56.30 57.53 1j1j h ASN 157 Cb 0.41 -0.16 -0.06 0.00 -1.12 0.00 0.00 38.32 37.39 1j1j h ASN 157 CO 0.01 0.92 0.52 0.28 -1.29 0.00 0.00 177.43 177.87 1j1j h SER 158 N 0.43 0.81 -0.39 5.81 0.02 -1.02 1.00 113.55 120.21 1j1j h SER 158 Ca 0.03 0.02 -0.10 0.00 -0.84 0.00 0.00 61.79 60.91 1j1j h SER 158 Cb 0.92 -0.14 -0.02 0.00 0.14 0.00 0.00 62.40 63.30 1j1j h SER 158 CO 0.08 0.51 -0.10 0.58 -1.14 0.00 0.00 176.83 176.76 1j1j h VAL 159 N 0.94 1.26 0.00 2.27 2.07 -1.46 0.16 116.25 121.49 1j1j h VAL 159 Ca 0.38 -1.17 0.00 0.00 0.82 0.00 0.00 66.70 66.73 1j1j h VAL 159 Cb 0.21 1.01 0.00 0.00 -1.52 0.00 0.00 31.29 30.99 1j1j h VAL 159 CO -0.19 0.41 0.00 1.07 0.02 0.00 0.00 177.57 178.88 1j1j n THR 160 N -4.16 0.00 -2.18 2.57 5.66 -0.47 -2.86 114.28 112.83 1j1j n THR 160 Ca 0.02 0.00 -0.21 0.00 -3.05 0.00 0.00 64.05 60.81 1j1j n THR 160 Cb 0.37 -0.48 0.02 0.00 -1.55 0.00 0.00 70.33 68.69 1j1j n THR 160 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1j1j n ALA 161 N -0.92 4.66 0.00 1.79 0.00 0.22 -4.78 120.51 121.48 1j1j n ALA 161 Ca 0.18 -3.67 0.00 0.00 0.00 0.00 0.00 53.44 49.95 1j1j n ALA 161 Cb 0.08 -0.42 0.00 0.00 0.00 0.00 0.00 19.45 19.11 1j1j n ALA 161 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1j1j n GLY 162 N -0.67 0.00 3.66 0.00 0.00 -1.14 -3.70 105.19 103.35 1j1j n GLY 162 Ca 0.38 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.97 1j1j n GLY 162 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1j1j s ASP 163 N -0.30 6.82 0.00 1.61 3.68 -0.76 -4.88 116.67 122.84 1j1j s ASP 163 Ca 0.00 1.95 0.09 0.00 2.13 0.00 0.00 52.55 56.73 1j1j s ASP 163 Cb 0.00 -2.54 0.08 0.00 -1.45 0.00 0.00 42.92 39.01 1j1j s ASP 163 CO 0.00 -0.82 0.80 -1.22 0.13 0.00 0.00 175.17 174.06 1j1j n TYR 164 N 6.68 0.01 0.02 -5.34 4.01 -1.26 -3.18 117.16 118.10 1j1j n TYR 164 Ca 0.15 -0.01 -0.22 0.00 -0.16 0.00 0.00 57.90 57.66 1j1j n TYR 164 Cb 0.44 -0.00 -0.14 0.00 -0.31 0.00 0.00 39.34 39.33 1j1j n TYR 164 CO 0.00 0.00 0.00 0.77 -0.46 0.00 0.00 176.86 177.17 1j1j h SER 165 N 1.80 0.45 -0.81 7.72 0.02 -1.95 -3.40 113.55 117.37 1j1j h SER 165 Ca 0.00 -0.89 0.14 0.00 -0.84 0.00 0.00 61.79 60.20 1j1j h SER 165 Cb 0.39 -0.14 -0.15 0.00 0.14 0.00 0.00 62.40 62.64 1j1j h SER 165 CO 0.00 1.74 -0.31 -0.09 -1.14 0.00 0.00 176.83 177.03 1j1j h ARG 166 N -0.11 -0.05 -0.87 3.45 9.65 -1.97 -1.75 114.38 122.72 1j1j h ARG 166 Ca -0.35 0.00 0.16 0.00 -1.10 0.00 0.00 59.98 58.69 1j1j h ARG 166 Cb 1.92 0.01 -0.10 0.00 -1.39 0.00 0.00 29.97 30.41 1j1j h ARG 166 CO 0.09 -0.03 0.44 -1.35 2.80 0.00 0.00 179.97 181.92 1j1j h PRO 167 N -0.05 0.57 -0.52 0.20 0.11 -1.84 -0.17 132.00 130.30 1j1j h PRO 167 Ca 0.33 -0.03 0.02 0.00 0.11 0.00 0.00 66.00 66.43 1j1j h PRO 167 Cb 0.59 -0.13 -0.03 0.00 0.11 0.00 0.00 31.00 31.54 1j1j h PRO 167 CO -0.85 0.38 0.31 -0.07 -0.21 0.00 0.00 178.00 177.56 1j1j h LEU 168 N 0.59 0.50 -0.42 2.35 -0.00 -1.56 -0.78 115.31 115.99 1j1j h LEU 168 Ca 0.49 0.00 -0.11 0.00 -0.00 0.00 0.00 57.88 58.27 1j1j h LEU 168 Cb 0.75 -0.10 -0.01 0.00 -0.00 0.00 0.00 40.66 41.30 1j1j h LEU 168 CO -0.40 0.35 -0.15 0.45 -0.00 0.00 0.00 178.44 178.69 1j1j h HIS 169 N 0.62 0.97 -0.61 1.13 3.86 -1.20 -2.81 115.15 117.10 1j1j h HIS 169 Ca 0.21 -0.22 -0.01 0.00 -1.16 0.00 0.00 60.37 59.18 1j1j h HIS 169 Cb 0.02 -0.23 -0.03 0.00 1.06 0.00 0.00 27.41 28.23 1j1j h HIS 169 CO -0.06 0.98 0.33 0.82 0.86 0.00 0.00 177.93 180.85 1j1j h ILE 170 N 0.67 1.20 -0.32 2.45 2.04 -0.80 -1.42 117.51 121.34 1j1j h ILE 170 Ca 0.10 -0.52 0.03 0.00 1.00 0.00 0.00 64.86 65.46 1j1j h ILE 170 Cb 0.70 0.43 -0.03 0.00 -0.74 0.00 0.00 36.82 37.18 1j1j h ILE 170 CO 0.05 0.22 0.14 -1.28 0.00 0.00 0.00 178.15 177.28 1j1j h SER 171 N 0.83 0.18 -0.36 1.72 0.87 -1.08 -0.36 113.55 115.35 1j1j h SER 171 Ca 0.21 0.02 0.00 0.00 -1.23 0.00 0.00 61.79 60.80 1j1j h SER 171 Cb 0.06 -0.01 -0.02 0.00 -0.44 0.00 0.00 62.40 62.00 1j1j h SER 171 CO -0.03 0.14 0.23 0.74 -0.53 0.00 0.00 176.83 177.38 1j1j h THR 172 N 0.29 1.11 -0.32 2.23 2.02 -1.27 -2.24 112.91 114.73 1j1j h THR 172 Ca 0.14 -0.23 0.05 0.00 0.77 0.00 0.00 66.41 67.14 1j1j h THR 172 Cb 0.08 0.61 -0.05 0.00 -1.74 0.00 0.00 68.15 67.06 1j1j h THR 172 CO -0.12 0.11 0.01 0.15 0.37 0.00 0.00 175.52 176.04 1j1j h PHE 173 N 0.48 0.01 -0.91 3.16 3.57 -0.75 -2.22 116.94 120.27 1j1j h PHE 173 Ca 0.13 0.02 0.01 0.00 3.53 0.00 0.00 57.97 61.66 1j1j h PHE 173 Cb -0.02 0.04 -0.05 0.00 2.79 0.00 0.00 35.95 38.72 1j1j h PHE 173 CO -0.04 -0.04 0.60 0.82 -2.23 0.00 0.00 178.31 177.41 1j1j h ILE 174 N 0.11 1.24 0.00 1.41 1.08 -0.87 -2.23 117.51 118.25 1j1j h ILE 174 Ca 0.15 -0.45 -0.08 0.00 -0.39 0.00 0.00 64.86 64.10 1j1j h ILE 174 Cb 0.20 -0.10 -0.01 0.00 -3.07 0.00 0.00 36.82 33.84 1j1j h ILE 174 CO -0.24 0.23 -0.39 0.78 -0.69 0.00 0.00 178.15 177.84 1j1j h ASN 175 N 1.24 0.00 -0.29 1.72 2.35 -1.05 -0.56 115.58 118.98 1j1j h ASN 175 Ca 0.33 0.00 -0.16 0.00 -0.55 0.00 0.00 56.30 55.92 1j1j h ASN 175 Cb -0.13 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.23 1j1j h ASN 175 CO -0.07 0.39 -0.43 -0.33 -1.65 0.00 0.00 177.43 175.34 1j1j h GLU 176 N 0.00 0.86 -0.49 0.81 5.08 -0.84 -1.41 114.58 118.58 1j1j h GLU 176 Ca -0.00 -0.47 -0.02 0.00 -1.00 0.00 0.00 59.36 57.87 1j1j h GLU 176 Cb 0.70 0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.95 1j1j h GLU 176 CO 0.05 1.11 0.24 -0.07 -1.00 0.00 0.00 179.01 179.34 1j1j h LEU 177 N 0.69 0.64 -0.48 1.33 3.38 -1.02 0.79 115.31 120.63 1j1j h LEU 177 Ca 0.05 -0.12 0.07 0.00 0.09 0.00 0.00 57.88 57.96 1j1j h LEU 177 Cb 1.01 -0.16 -0.06 0.00 0.09 0.00 0.00 40.66 41.54 1j1j h LEU 177 CO 0.10 0.58 0.14 -0.78 0.09 0.00 0.00 178.44 178.57 1j1j h ASP 178 N 0.65 0.11 -0.20 -0.43 -0.00 -0.80 -0.70 116.42 115.05 1j1j h ASP 178 Ca 0.17 0.07 -0.08 0.00 -0.00 0.00 0.00 57.03 57.19 1j1j h ASP 178 Cb 0.11 0.07 -0.02 0.00 -0.00 0.00 0.00 39.33 39.49 1j1j h ASP 178 CO -0.02 0.09 -0.12 0.28 -0.00 0.00 0.00 179.24 179.47 1j1j h SER 179 N 0.30 0.57 0.44 2.28 0.02 -0.82 -2.30 113.55 114.04 1j1j h SER 179 Ca 0.23 -0.16 -0.02 0.00 -0.84 0.00 0.00 61.79 61.01 1j1j h SER 179 Cb 0.27 -0.15 0.00 0.00 0.14 0.00 0.00 62.40 62.66 1j1j h SER 179 CO -0.26 0.72 -0.21 1.23 -1.14 0.00 0.00 176.83 177.17 1j1j h GLY 180 N 0.95 -0.62 1.94 -3.77 0.00 0.53 -2.53 103.07 99.57 1j1j h GLY 180 Ca 0.10 0.23 0.00 0.00 0.00 0.00 0.00 47.33 47.66 1j1j h GLY 180 CO 0.03 -0.22 0.03 0.74 0.00 0.00 0.00 176.54 177.12 1j1j h PHE 181 N -0.63 0.04 -0.30 5.60 -1.00 -1.13 -1.55 116.94 117.97 1j1j h PHE 181 Ca -0.06 0.00 0.01 0.00 2.81 0.00 0.00 57.97 60.73 1j1j h PHE 181 Cb 0.47 -0.01 -0.02 0.00 3.61 0.00 0.00 35.95 40.00 1j1j h PHE 181 CO -0.04 0.02 0.20 -0.09 -1.61 0.00 0.00 178.31 176.79 1j1j h ARG 182 N 0.04 0.36 0.00 1.51 9.65 -0.99 -0.37 114.38 124.58 1j1j h ARG 182 Ca 0.02 -0.02 -0.05 0.00 -1.10 0.00 0.00 59.98 58.83 1j1j h ARG 182 Cb 0.02 -0.08 -0.01 0.00 -1.39 0.00 0.00 29.97 28.52 1j1j h ARG 182 CO -0.00 0.24 -0.22 -0.07 2.80 0.00 0.00 179.97 182.72 1j1j h LEU 183 N 0.37 0.00-10.11 3.80 3.38 -1.06 -3.44 115.31 108.25 1j1j h LEU 183 Ca 0.11 0.00 -0.47 0.00 0.09 0.00 0.00 57.88 57.62 1j1j h LEU 183 Cb 0.00 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.75 1j1j h LEU 183 CO -0.02 0.22 0.28 -0.76 0.09 0.00 0.00 178.44 178.24 1j1j s LEU 184 N -6.66 3.85 -0.05 1.67 1.43 -0.15 -4.97 118.68 113.80 1j1j s LEU 184 Ca 0.01 1.51 0.14 0.00 -1.03 0.00 0.00 54.13 54.76 1j1j s LEU 184 Cb 0.10 -4.38 -0.22 0.00 0.03 0.00 0.00 46.19 41.71 1j1j s LEU 184 CO 0.64 -0.41 0.61 -3.20 0.23 0.00 0.00 176.35 174.22 1j1j n ASN 185 N -0.96 0.75 -3.51 2.29 2.85 -1.26 -4.95 115.26 110.46 1j1j n ASN 185 Ca 0.06 0.35 -0.25 0.00 -0.11 0.00 0.00 54.58 54.63 1j1j n ASN 185 Cb 0.54 0.13 -0.01 0.00 1.24 0.00 0.00 39.78 41.67 1j1j n ASN 185 CO 0.00 0.00 0.00 0.18 -2.11 0.00 0.00 177.26 175.33 1j1j n LEU 186 N -2.98 -1.33 -2.15 1.20 4.77 -1.26 -4.74 117.00 110.51 1j1j n LEU 186 Ca -0.18 -0.47 -0.08 0.00 -0.03 0.00 0.00 56.01 55.25 1j1j n LEU 186 Cb 1.03 -1.95 -0.11 0.00 -2.33 0.00 0.00 43.42 40.06 1j1j n LEU 186 CO 0.44 0.15 1.24 1.17 -1.33 0.00 0.00 177.39 179.06 1j1j n LYS 187 N -3.71 1.33 -3.64 3.23 3.00 -1.26 -4.71 118.16 112.39 1j1j n LYS 187 Ca 0.01 -0.65 -0.04 0.00 -0.00 0.00 0.00 58.31 57.63 1j1j n LYS 187 Cb 0.52 -1.81 -0.07 0.00 0.00 0.00 0.00 35.03 33.67 1j1j n LYS 187 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.40 177.94 1j1j s ASN 188 N 2.31 -0.33 0.29 3.14 2.20 -1.26 -5.17 114.94 116.12 1j1j s ASN 188 Ca 0.44 0.58 0.00 0.00 -0.94 0.00 0.00 52.86 52.94 1j1j s ASN 188 Cb 0.21 0.82 0.00 0.00 -2.00 0.00 0.00 41.25 40.28 1j1j s ASN 188 CO 0.00 -0.10 0.00 0.47 -2.94 0.00 0.00 177.10 174.53 1j1j n ASP 189 N 2.64 -5.70 0.00 3.54 10.43 -1.26 -4.17 116.55 122.03 1j1j n ASP 189 Ca -0.14 0.59 0.08 0.00 2.57 0.00 0.00 54.79 57.89 1j1j n ASP 189 Cb 0.57 -3.02 0.48 0.00 1.84 0.00 0.00 41.12 40.99 1j1j n ASP 189 CO 0.00 0.00 0.00 -1.54 -1.07 0.00 0.00 177.20 174.59 1j1j n SER 190 N -3.53 0.00 0.16 -2.24 3.41 -1.26 -1.97 113.62 108.19 1j1j n SER 190 Ca -0.02 -0.60 0.04 0.00 -0.26 0.00 0.00 58.87 58.04 1j1j n SER 190 Cb 0.44 0.00 0.46 0.00 -0.26 0.00 0.00 64.21 64.85 1j1j n SER 190 CO 0.00 0.00 0.00 0.25 -0.16 0.00 0.00 175.04 175.13 1j1j h LEU 191 N 0.00 0.15 -1.08 1.04 5.85 -1.96 0.15 115.31 119.46 1j1j h LEU 191 Ca 0.00 -0.02 -0.07 0.00 0.84 0.00 0.00 57.88 58.62 1j1j h LEU 191 Cb 0.00 -0.04 -0.02 0.00 0.37 0.00 0.00 40.66 40.97 1j1j h LEU 191 CO 0.00 0.27 -0.13 -0.09 -0.34 0.00 0.00 178.44 178.15 1j1j h ARG 192 N 0.16 0.49 -0.24 1.25 2.43 -1.56 -0.41 114.38 116.50 1j1j h ARG 192 Ca 0.04 -0.14 -0.05 0.00 -0.81 0.00 0.00 59.98 59.01 1j1j h ARG 192 Cb 0.27 -0.05 -0.01 0.00 -0.42 0.00 0.00 29.97 29.76 1j1j h ARG 192 CO 0.01 0.62 -0.04 0.87 -1.51 0.00 0.00 179.97 179.93 1j1j h LYS 193 N 0.46 0.45 -0.79 0.20 1.57 -0.94 -2.35 116.57 115.16 1j1j h LYS 193 Ca 0.08 -0.16 -0.03 0.00 -1.87 0.00 0.00 60.65 58.67 1j1j h LYS 193 Cb 0.50 -0.03 -0.04 0.00 0.08 0.00 0.00 32.23 32.75 1j1j h LYS 193 CO 0.03 0.66 0.39 0.00 -0.57 0.00 0.00 179.45 179.97 1j1j h ARG 194 N 0.20 1.13 -0.36 3.15 3.08 -0.89 -2.86 114.38 117.82 1j1j h ARG 194 Ca 0.06 -0.16 0.04 0.00 0.07 0.00 0.00 59.98 60.00 1j1j h ARG 194 Cb 0.49 -0.21 -0.04 0.00 0.08 0.00 0.00 29.97 30.29 1j1j h ARG 194 CO 0.02 0.86 0.12 -0.92 -1.07 0.00 0.00 179.97 178.98 1j1j h TYR 195 N 1.11 0.22 0.00 3.04 3.20 -0.95 -1.29 116.97 122.30 1j1j h TYR 195 Ca 0.27 0.02 0.00 0.00 3.14 0.00 0.00 58.73 62.16 1j1j h TYR 195 Cb 0.09 -0.04 0.00 0.00 1.54 0.00 0.00 36.73 38.32 1j1j h TYR 195 CO 0.01 0.08 0.17 -0.25 -1.64 0.00 0.00 178.16 176.54 1j1j n ASP 196 N -5.02 0.35 0.02 -2.11 10.43 -0.90 0.56 116.55 119.88 1j1j n ASP 196 Ca 0.01 0.59 0.12 0.00 2.57 0.00 0.00 54.79 58.08 1j1j n ASP 196 Cb 0.13 -0.59 0.16 0.00 1.84 0.00 0.00 41.12 42.67 1j1j n ASP 196 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 1j1j n GLY 197 N -1.30 -1.27 0.25 0.44 0.00 -0.49 -4.03 105.19 98.80 1j1j n GLY 197 Ca -0.01 -0.35 -0.02 0.00 0.00 0.00 0.00 46.02 45.64 1j1j n GLY 197 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1j1j h LEU 198 N 0.00 0.51 -1.20 0.99 5.85 0.07 -2.60 115.31 118.93 1j1j h LEU 198 Ca 0.00 -0.14 0.03 0.00 0.84 0.00 0.00 57.88 58.61 1j1j h LEU 198 Cb 0.61 -0.14 -0.05 0.00 0.37 0.00 0.00 40.66 41.46 1j1j h LEU 198 CO 0.00 0.68 0.55 0.11 -0.34 0.00 0.00 178.44 179.44 1j1j h LYS 199 N 0.47 1.02 0.17 1.25 1.79 -1.70 0.85 116.57 120.42 1j1j h LYS 199 Ca 0.08 -0.06 -0.01 0.00 -2.18 0.00 0.00 60.65 58.48 1j1j h LYS 199 Cb 0.53 -0.23 0.00 0.00 -1.58 0.00 0.00 32.23 30.95 1j1j h LYS 199 CO 0.03 0.68 -0.08 1.88 -1.08 0.00 0.00 179.45 180.88 1j1j h TYR 200 N 1.05 -0.21 -0.80 -1.35 -1.99 -1.69 -1.15 116.97 110.83 1j1j h TYR 200 Ca 0.32 -0.01 -0.01 0.00 2.00 0.00 0.00 58.73 61.04 1j1j h TYR 200 Cb -0.01 0.07 -0.04 0.00 2.00 0.00 0.00 36.73 38.76 1j1j h TYR 200 CO -0.00 -0.10 0.48 -0.44 -0.00 0.00 0.00 178.16 178.10 1j1j h ASP 201 N -0.27 0.96 -0.45 3.88 3.32 -1.31 0.75 116.42 123.30 1j1j h ASP 201 Ca -0.02 -0.06 0.03 0.00 0.02 0.00 0.00 57.03 57.00 1j1j h ASP 201 Cb 0.21 -0.24 -0.04 0.00 0.22 0.00 0.00 39.33 39.48 1j1j h ASP 201 CO 0.04 0.74 0.23 0.58 -1.72 0.00 0.00 179.24 179.11 1j1j h VAL 202 N 1.10 0.99 -0.37 -1.35 2.07 -0.43 0.88 116.25 119.13 1j1j h VAL 202 Ca 0.29 -0.16 -0.12 0.00 0.82 0.00 0.00 66.70 67.53 1j1j h VAL 202 Cb -0.04 0.48 -0.01 0.00 -1.52 0.00 0.00 31.29 30.20 1j1j h VAL 202 CO -0.05 0.08 -0.22 0.11 0.02 0.00 0.00 177.57 177.51 1j1j h LYS 203 N 0.46 0.80 -0.52 1.57 1.57 -0.73 -1.55 116.57 118.17 1j1j h LYS 203 Ca 0.19 -0.37 0.03 0.00 -1.87 0.00 0.00 60.65 58.63 1j1j h LYS 203 Cb 0.08 -0.01 -0.04 0.00 0.08 0.00 0.00 32.23 32.34 1j1j h LYS 203 CO -0.12 0.99 0.30 -0.22 -0.57 0.00 0.00 179.45 179.83 1j1j h LYS 204 N 0.59 0.57 -0.34 3.15 3.11 -0.41 -0.62 116.57 122.62 1j1j h LYS 204 Ca 0.08 -0.03 -0.12 0.00 -2.81 0.00 0.00 60.65 57.76 1j1j h LYS 204 Cb 0.78 -0.13 -0.01 0.00 -1.00 0.00 0.00 32.23 31.87 1j1j h LYS 204 CO 0.06 0.38 -0.28 0.28 -2.81 0.00 0.00 179.45 177.08 1j1j h VAL 205 N 0.59 1.28 -0.01 2.00 2.07 -0.75 -2.58 116.25 118.83 1j1j h VAL 205 Ca 0.21 -1.41 -0.07 0.00 0.82 0.00 0.00 66.70 66.25 1j1j h VAL 205 Cb 0.05 1.32 -0.01 0.00 -1.52 0.00 0.00 31.29 31.13 1j1j h VAL 205 CO -0.11 0.46 -0.33 -0.33 0.02 0.00 0.00 177.57 177.28 1j1j h GLU 206 N 0.61 0.03 -0.22 1.57 5.08 -0.82 -2.47 114.58 118.36 1j1j h GLU 206 Ca 0.08 -0.01 -0.10 0.00 -1.00 0.00 0.00 59.36 58.33 1j1j h GLU 206 Cb 0.79 -0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.03 1j1j h GLU 206 CO 0.07 0.36 -0.28 0.93 -1.00 0.00 0.00 179.01 179.08 1j1j h GLU 207 N 0.02 0.43 -0.43 2.33 5.08 -0.74 -1.44 114.58 119.84 1j1j h GLU 207 Ca 0.00 -0.17 -0.05 0.00 -1.00 0.00 0.00 59.36 58.14 1j1j h GLU 207 Cb 0.60 -0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.81 1j1j h GLU 207 CO 0.04 0.68 0.08 0.28 -1.00 0.00 0.00 179.01 179.10 1j1j h VAL 208 N 0.38 1.24 -0.65 3.13 2.07 -1.16 -1.32 116.25 119.94 1j1j h VAL 208 Ca 0.05 -0.86 -0.08 0.00 0.82 0.00 0.00 66.70 66.64 1j1j h VAL 208 Cb 0.70 0.97 -0.03 0.00 -1.52 0.00 0.00 31.29 31.41 1j1j h VAL 208 CO 0.05 0.30 0.09 0.58 0.02 0.00 0.00 177.57 178.61 1j1j h VAL 209 N 0.56 1.26 -0.22 2.57 2.07 -1.37 -2.16 116.25 118.96 1j1j h VAL 209 Ca 0.13 -1.05 0.05 0.00 0.82 0.00 0.00 66.70 66.65 1j1j h VAL 209 Cb 0.36 0.66 -0.05 0.00 -1.52 0.00 0.00 31.29 30.74 1j1j h VAL 209 CO 0.01 0.39 -0.11 0.22 0.02 0.00 0.00 177.57 178.09 1j1j h TYR 210 N 1.01 -0.27 -0.84 1.57 3.20 -0.95 0.50 116.97 121.18 1j1j h TYR 210 Ca 0.20 0.02 0.08 0.00 3.14 0.00 0.00 58.73 62.17 1j1j h TYR 210 Cb 0.46 0.16 -0.07 0.00 1.54 0.00 0.00 36.73 38.81 1j1j h TYR 210 CO 0.03 -0.17 0.50 -0.44 -1.64 0.00 0.00 178.16 176.44 1j1j h ASP 211 N -0.09 0.76 -0.17 -2.11 3.32 -0.84 -1.07 116.42 116.21 1j1j h ASP 211 Ca 0.12 0.03 -0.11 0.00 0.02 0.00 0.00 57.03 57.10 1j1j h ASP 211 Cb 0.27 -0.12 0.00 0.00 0.22 0.00 0.00 39.33 39.70 1j1j h ASP 211 CO -0.28 0.46 -0.31 -0.07 -1.72 0.00 0.00 179.24 177.32 1j1j h LEU 212 N 0.88 0.57 0.00 1.55 4.07 -0.70 -2.98 115.31 118.70 1j1j h LEU 212 Ca 0.39 -0.54 0.00 0.00 0.08 0.00 0.00 57.88 57.81 1j1j h LEU 212 Cb 0.28 -0.16 0.00 0.00 1.08 0.00 0.00 40.66 41.86 1j1j h LEU 212 CO -0.21 1.01 0.00 -1.54 -1.08 0.00 0.00 178.44 176.61 1j1j n SER 213 N -4.35 0.00 0.00 -0.43 3.41 0.17 -2.93 113.62 109.48 1j1j n SER 213 Ca -0.06 -0.22 0.01 0.00 -0.26 0.00 0.00 58.87 58.34 1j1j n SER 213 Cb 0.48 -0.17 0.06 0.00 -0.26 0.00 0.00 64.21 64.32 1j1j n SER 213 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1j1j n ILE 214 N -1.17 0.00 0.02 -1.33 0.13 -0.45 -3.44 119.36 113.13 1j1j n ILE 214 Ca 0.11 0.00 0.00 0.00 -1.10 0.00 0.00 62.75 61.76 1j1j n ILE 214 Cb 0.11 -0.56 0.00 0.00 -0.84 0.00 0.00 39.64 38.35 1j1j n ILE 214 CO 0.00 0.00 0.00 0.54 2.80 0.00 0.00 176.55 179.89 1j1j n ARG 215 N -0.66 0.00 -2.24 9.51 1.74 -1.15 -5.04 116.66 118.83 1j1j n ARG 215 Ca 0.02 0.00 -0.03 0.00 -0.77 0.00 0.00 57.85 57.07 1j1j n ARG 215 Cb 0.01 -0.08 0.07 0.00 -1.02 0.00 0.00 32.46 31.44 1j1j n ARG 215 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1j1j n GLY 216 N 2.64 1.63 0.34 -0.13 0.00 -1.22 -5.21 105.19 103.23 1j1j n GLY 216 Ca 0.00 -0.20 0.04 0.00 0.00 0.00 0.00 46.02 45.87 1j1j n GLY 216 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01