#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1r1x s HIS 2 N 0.00 3.58 -0.03 6.34 3.76 -1.26 -3.69 115.29 123.99 1r1x s HIS 2 Ca 0.00 -2.65 -0.17 0.00 -0.15 0.00 0.00 55.06 52.09 1r1x s HIS 2 Cb 0.00 -2.70 -0.05 0.00 1.11 0.00 0.00 32.58 30.94 1r1x s HIS 2 CO 0.00 -0.92 0.48 -0.51 -0.85 0.00 0.00 174.74 172.94 1r1x s LEU 3 N 1.02 4.41 0.83 0.89 1.43 -1.26 -5.07 118.68 120.93 1r1x s LEU 3 Ca 0.05 0.99 -0.11 0.00 -1.03 0.00 0.00 54.13 54.03 1r1x s LEU 3 Cb -0.20 -2.72 0.09 0.00 0.03 0.00 0.00 46.19 43.39 1r1x s LEU 3 CO -0.06 0.18 1.09 0.42 0.23 0.00 0.00 176.35 178.21 1r1x s THR 4 N -0.40 3.01 0.27 5.49 -4.23 -1.26 -4.71 115.64 113.81 1r1x s THR 4 Ca 0.26 0.33 0.00 0.00 -1.18 0.00 0.00 61.69 61.11 1r1x s THR 4 Cb -0.17 -2.87 0.26 0.00 1.34 0.00 0.00 72.50 71.06 1r1x s THR 4 CO 0.14 -0.43 1.75 -0.65 -0.54 0.00 0.00 174.62 174.89 1r1x h PRO 5 N -1.30 0.56 -0.39 3.99 0.11 -1.99 -0.58 132.00 132.39 1r1x h PRO 5 Ca -0.47 -0.03 -0.11 0.00 0.11 0.00 0.00 66.00 65.50 1r1x h PRO 5 Cb 1.26 -0.13 -0.02 0.00 0.11 0.00 0.00 31.00 32.23 1r1x h PRO 5 CO 0.54 0.37 -0.18 0.93 -0.21 0.00 0.00 178.00 179.45 1r1x h GLU 6 N 0.58 0.75 -0.46 1.05 5.08 -1.99 -1.51 114.58 118.08 1r1x h GLU 6 Ca 0.49 -0.28 -0.11 0.00 -1.00 0.00 0.00 59.36 58.46 1r1x h GLU 6 Cb 0.76 -0.05 -0.02 0.00 0.50 0.00 0.00 28.75 29.95 1r1x h GLU 6 CO -0.40 0.88 -0.14 0.93 -1.00 0.00 0.00 179.01 179.28 1r1x h GLU 7 N 0.67 0.86 -0.40 2.33 5.08 -1.60 -1.56 114.58 119.95 1r1x h GLU 7 Ca 0.10 -0.31 -0.03 0.00 -1.00 0.00 0.00 59.36 58.12 1r1x h GLU 7 Cb 0.67 -0.06 -0.02 0.00 0.50 0.00 0.00 28.75 29.85 1r1x h GLU 7 CO 0.05 0.95 0.13 0.87 -1.00 0.00 0.00 179.01 180.00 1r1x h LYS 8 N 0.76 0.63 -0.13 2.33 1.57 -0.97 -2.43 116.57 118.33 1r1x h LYS 8 Ca 0.12 -0.14 0.02 0.00 -1.87 0.00 0.00 60.65 58.78 1r1x h LYS 8 Cb 0.66 -0.09 -0.02 0.00 0.08 0.00 0.00 32.23 32.86 1r1x h LYS 8 CO 0.05 0.63 0.02 1.03 -0.57 0.00 0.00 179.45 180.60 1r1x h SER 9 N 0.51 -0.00 -0.17 0.86 0.87 -1.09 0.17 113.55 114.70 1r1x h SER 9 Ca 0.13 0.02 0.00 0.00 -1.23 0.00 0.00 61.79 60.71 1r1x h SER 9 Cb 0.26 0.03 -0.01 0.00 -0.44 0.00 0.00 62.40 62.24 1r1x h SER 9 CO -0.00 0.02 0.11 0.00 -0.53 0.00 0.00 176.83 176.43 1r1x h ALA 10 N 1.10 1.87 0.10 6.23 0.00 -1.15 0.20 119.26 127.60 1r1x h ALA 10 Ca 0.06 -0.01 -0.23 0.00 0.00 0.00 0.00 54.91 54.73 1r1x h ALA 10 Cb 0.05 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 17.77 1r1x h ALA 10 CO -0.08 0.12 -1.15 0.28 0.00 0.00 0.00 179.25 178.42 1r1x h VAL 11 N 0.23 1.18 -0.61 0.00 2.07 -1.07 -3.24 116.25 114.81 1r1x h VAL 11 Ca 0.06 -2.39 -0.06 0.00 0.82 0.00 0.00 66.70 65.13 1r1x h VAL 11 Cb -0.02 2.81 -0.03 0.00 -1.52 0.00 0.00 31.29 32.54 1r1x h VAL 11 CO -0.01 0.65 0.16 0.74 0.02 0.00 0.00 177.57 179.13 1r1x h THR 12 N -0.46 1.25 0.16 2.57 2.02 -0.87 -1.06 112.91 116.52 1r1x h THR 12 Ca -0.25 -0.89 -0.00 0.00 0.77 0.00 0.00 66.41 66.04 1r1x h THR 12 Cb 1.61 0.67 -0.02 0.00 -1.74 0.00 0.00 68.15 68.68 1r1x h THR 12 CO 0.04 0.33 -0.24 0.00 0.37 0.00 0.00 175.52 176.02 1r1x h ALA 13 N 1.05 -0.87 -0.54 6.16 0.00 -1.10 -0.43 119.26 123.52 1r1x h ALA 13 Ca 0.19 -0.07 -0.03 0.00 0.00 0.00 0.00 54.91 55.00 1r1x h ALA 13 Cb 0.33 0.55 -0.03 0.00 0.00 0.00 0.00 17.79 18.65 1r1x h ALA 13 CO -0.00 -0.90 0.21 -0.07 0.00 0.00 0.00 179.25 178.49 1r1x h LEU 14 N -0.42 0.71 -1.02 0.00 3.38 -1.58 -2.92 115.31 113.45 1r1x h LEU 14 Ca -0.02 -0.09 -0.07 0.00 0.09 0.00 0.00 57.88 57.79 1r1x h LEU 14 Cb 0.39 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 40.94 1r1x h LEU 14 CO -0.07 0.65 -0.02 -0.25 0.09 0.00 0.00 178.44 178.83 1r1x h TRP 15 N 0.77 0.72 -0.12 1.13 2.91 -0.98 -1.94 115.95 118.44 1r1x h TRP 15 Ca 0.18 -0.10 0.02 0.00 1.13 0.00 0.00 58.89 60.13 1r1x h TRP 15 Cb 0.17 -0.20 -0.01 0.00 -0.51 0.00 0.00 29.16 28.61 1r1x h TRP 15 CO 0.01 0.69 0.09 0.78 -1.03 0.00 0.00 178.44 178.98 1r1x h GLY 16 N 0.94 0.07 -1.12 2.65 0.00 -0.87 -1.88 103.07 102.85 1r1x h GLY 16 Ca 0.13 -0.03 0.00 0.00 0.00 0.00 0.00 47.33 47.43 1r1x h GLY 16 CO 0.02 0.02 0.00 0.28 0.00 0.00 0.00 176.54 176.86 1r1x n LYS 17 N -4.51 1.71 -3.10 4.80 5.02 -0.74 -4.92 118.16 116.42 1r1x n LYS 17 Ca -0.00 -1.10 -0.39 0.00 -2.02 0.00 0.00 58.31 54.79 1r1x n LYS 17 Cb 0.16 -1.24 -0.05 0.00 -0.02 0.00 0.00 35.03 33.88 1r1x n LYS 17 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1r1x s VAL 18 N -1.59 4.92 -0.85 -0.18 1.01 -0.71 -5.00 120.40 118.00 1r1x s VAL 18 Ca 0.21 1.40 -0.25 0.00 0.00 0.00 0.00 61.98 63.33 1r1x s VAL 18 Cb 0.11 -4.01 0.04 0.00 0.00 0.00 0.00 36.38 32.51 1r1x s VAL 18 CO 0.14 0.35 1.37 0.54 0.00 0.00 0.00 175.10 177.50 1r1x s ASN 19 N 0.21 6.26 0.00 3.32 4.22 -1.26 -4.85 114.94 122.84 1r1x s ASN 19 Ca 0.35 -0.83 0.00 0.00 -2.14 0.00 0.00 52.86 50.23 1r1x s ASN 19 Cb -0.18 -2.56 0.00 0.00 1.28 0.00 0.00 41.25 39.78 1r1x s ASN 19 CO 0.19 -1.73 0.90 1.33 -2.04 0.00 0.00 177.10 175.75 1r1x n VAL 20 N 6.63 1.63 1.08 3.54 0.24 -1.26 -1.56 118.33 128.62 1r1x n VAL 20 Ca 0.16 0.43 0.12 0.00 -2.04 0.00 0.00 64.34 63.01 1r1x n VAL 20 Cb 0.50 -1.43 0.12 0.00 -1.47 0.00 0.00 33.84 31.56 1r1x n VAL 20 CO 0.00 0.00 0.00 0.47 -2.14 0.00 0.00 176.83 175.16 1r1x n ASP 21 N -1.40 1.43 0.00 -1.34 10.43 -1.26 -4.65 116.55 119.76 1r1x n ASP 21 Ca 0.00 -1.14 0.00 0.00 2.57 0.00 0.00 54.79 56.22 1r1x n ASP 21 Cb 0.02 0.43 0.00 0.00 1.84 0.00 0.00 41.12 43.41 1r1x n ASP 21 CO 0.00 0.00 0.00 -0.62 -1.07 0.00 0.00 177.20 175.51 1r1x n GLU 22 N -0.56 0.36 -0.34 -1.24 -0.58 -0.60 -4.79 120.64 112.90 1r1x n GLU 22 Ca 0.09 0.00 0.05 0.00 -0.42 0.00 0.00 57.16 56.88 1r1x n GLU 22 Cb 0.40 -0.81 0.20 0.00 -0.57 0.00 0.00 31.44 30.66 1r1x n GLU 22 CO 0.00 0.00 0.00 0.28 -0.48 0.00 0.00 177.13 176.93 1r1x h VAL 23 N 0.00 0.95 -0.50 2.62 2.07 -1.70 -1.80 116.25 117.88 1r1x h VAL 23 Ca 0.00 -0.33 -0.02 0.00 0.82 0.00 0.00 66.70 67.17 1r1x h VAL 23 Cb 0.63 -0.09 -0.02 0.00 -1.52 0.00 0.00 31.29 30.28 1r1x h VAL 23 CO 0.00 0.17 0.22 1.23 0.02 0.00 0.00 177.57 179.22 1r1x h GLY 24 N 0.96 0.79 2.00 2.17 0.00 -1.83 -1.33 103.07 105.84 1r1x h GLY 24 Ca 0.45 -0.41 -0.09 0.00 0.00 0.00 0.00 47.33 47.28 1r1x h GLY 24 CO -0.24 0.39 -0.41 -1.33 0.00 0.00 0.00 176.54 174.94 1r1x h GLY 25 N 0.67 0.00 0.72 4.60 0.00 -1.66 -2.11 103.07 105.29 1r1x h GLY 25 Ca 0.17 0.00 -0.05 0.00 0.00 0.00 0.00 47.33 47.45 1r1x h GLY 25 CO -0.02 0.00 -0.10 -2.09 0.00 0.00 0.00 176.54 174.33 1r1x h GLU 26 N 0.00 0.30 -0.34 4.80 4.57 -0.98 0.24 114.58 123.17 1r1x h GLU 26 Ca -0.00 -0.15 -0.11 0.00 -1.18 0.00 0.00 59.36 57.92 1r1x h GLU 26 Cb 0.93 -0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 29.51 1r1x h GLU 26 CO 0.05 0.67 -0.20 0.00 -1.18 0.00 0.00 179.01 178.35 1r1x h ALA 27 N 0.62 0.48 -0.61 2.92 0.00 -1.21 -1.05 119.26 120.42 1r1x h ALA 27 Ca 0.02 -0.36 -0.07 0.00 0.00 0.00 0.00 54.91 54.50 1r1x h ALA 27 Cb 0.60 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.25 1r1x h ALA 27 CO 0.03 0.43 0.12 1.25 0.00 0.00 0.00 179.25 181.08 1r1x h LEU 28 N 0.51 0.95 0.19 0.00 5.85 -1.42 -1.38 115.31 120.00 1r1x h LEU 28 Ca 0.07 -0.25 -0.01 0.00 0.84 0.00 0.00 57.88 58.53 1r1x h LEU 28 Cb 0.75 -0.25 0.00 0.00 0.37 0.00 0.00 40.66 41.53 1r1x h LEU 28 CO 0.06 0.95 -0.09 1.23 -0.34 0.00 0.00 178.44 180.25 1r1x h GLY 29 N 0.90 -0.27 0.91 3.75 0.00 -0.89 -2.23 103.07 105.24 1r1x h GLY 29 Ca 0.19 0.10 0.06 0.00 0.00 0.00 0.00 47.33 47.68 1r1x h GLY 29 CO 0.01 -0.10 0.56 3.21 0.00 0.00 0.00 176.54 180.22 1r1x h ARG 30 N -0.42 0.95 -0.25 4.80 3.08 -1.15 -0.78 114.38 120.61 1r1x h ARG 30 Ca -0.03 -0.06 0.03 0.00 0.07 0.00 0.00 59.98 60.00 1r1x h ARG 30 Cb 0.32 -0.21 -0.03 0.00 0.08 0.00 0.00 29.97 30.13 1r1x h ARG 30 CO 0.04 0.63 0.06 1.25 -1.07 0.00 0.00 179.97 180.88 1r1x h LEU 31 N 0.98 0.04 -1.51 3.04 5.85 -1.04 1.06 115.31 123.72 1r1x h LEU 31 Ca 0.37 0.04 -0.03 0.00 0.84 0.00 0.00 57.88 59.09 1r1x h LEU 31 Cb 0.19 0.04 -0.01 0.00 0.37 0.00 0.00 40.66 41.25 1r1x h LEU 31 CO -0.13 0.06 -0.04 -0.07 -0.34 0.00 0.00 178.44 177.91 1r1x h LEU 32 N 0.16 0.24 0.15 2.25 3.38 -0.70 0.24 115.31 121.03 1r1x h LEU 32 Ca 0.11 -0.04 -0.23 0.00 0.09 0.00 0.00 57.88 57.82 1r1x h LEU 32 Cb 0.10 -0.06 0.02 0.00 0.09 0.00 0.00 40.66 40.81 1r1x h LEU 32 CO -0.14 0.33 -1.04 0.58 0.09 0.00 0.00 178.44 178.25 1r1x h VAL 33 N 0.25 1.36 -0.00 1.22 2.07 -0.34 -3.20 116.25 117.61 1r1x h VAL 33 Ca 0.06 -2.52 -0.26 0.00 0.82 0.00 0.00 66.70 64.80 1r1x h VAL 33 Cb 0.25 3.06 0.02 0.00 -1.52 0.00 0.00 31.29 33.10 1r1x h VAL 33 CO 0.01 0.72 -1.01 0.58 0.02 0.00 0.00 177.57 177.89 1r1x h VAL 34 N -0.30 1.31 -2.56 2.57 2.07 0.13 -3.37 116.25 116.09 1r1x h VAL 34 Ca -0.20 -2.28 -0.61 0.00 0.82 0.00 0.00 66.70 64.43 1r1x h VAL 34 Cb 1.73 2.37 -0.42 0.00 -1.52 0.00 0.00 31.29 33.46 1r1x h VAL 34 CO 0.14 0.70 -0.61 -1.22 0.02 0.00 0.00 177.57 176.60 1r1x n TYR 35 N -3.83 3.24 -0.39 1.57 4.01 0.81 -4.97 117.16 117.60 1r1x n TYR 35 Ca -0.10 -4.18 0.36 0.00 -0.16 0.00 0.00 57.90 53.82 1r1x n TYR 35 Cb 0.87 -0.56 0.63 0.00 -0.31 0.00 0.00 39.34 39.97 1r1x n TYR 35 CO 0.00 0.00 0.00 -2.30 -0.46 0.00 0.00 176.86 174.10 1r1x n PRO 36 N 1.37 -0.05 0.34 -0.72 -0.02 -1.21 -1.10 135.00 133.61 1r1x n PRO 36 Ca 0.26 1.32 0.20 0.00 -2.02 0.00 0.00 63.50 63.25 1r1x n PRO 36 Cb 0.39 -2.48 1.05 0.00 -0.02 0.00 0.00 33.50 32.44 1r1x n PRO 36 CO 0.00 0.00 0.00 0.11 1.98 0.00 0.00 175.50 177.59 1r1x h TRP 37 N 0.00 0.00 0.00 6.00 0.09 -1.92 -0.91 115.95 119.21 1r1x h TRP 37 Ca 0.86 0.00 0.00 0.00 0.09 0.00 0.00 58.89 59.84 1r1x h TRP 37 Cb 2.52 0.00 0.00 0.00 0.08 0.00 0.00 29.16 31.76 1r1x h TRP 37 CO -0.01 0.00 0.00 0.25 0.09 0.00 0.00 178.44 178.77 1r1x n THR 38 N -2.99 0.53 0.42 0.12 -2.24 -0.26 -2.93 114.28 106.94 1r1x n THR 38 Ca -0.03 0.13 0.13 0.00 -2.27 0.00 0.00 64.05 62.01 1r1x n THR 38 Cb 0.20 -0.77 0.49 0.00 -2.10 0.00 0.00 70.33 68.14 1r1x n THR 38 CO 0.00 0.00 0.00 1.56 -0.57 0.00 0.00 175.07 176.06 1r1x h GLN 39 N 0.00 0.00 0.00 -0.78 4.20 -1.38 -2.82 115.11 114.33 1r1x h GLN 39 Ca 0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 1r1x h GLN 39 Cb 0.35 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.13 1r1x h GLN 39 CO 0.00 0.00 0.00 -0.09 -0.67 0.00 0.00 178.83 178.07 1r1x h ARG 40 N 0.00 0.00 -0.71 1.46 2.43 -1.74 -0.60 114.38 115.21 1r1x h ARG 40 Ca 0.00 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 1r1x h ARG 40 Cb 0.44 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.99 1r1x h ARG 40 CO 0.00 0.00 0.00 1.19 -1.51 0.00 0.00 179.97 179.65 1r1x n PHE 41 N -3.05 0.95 -2.79 2.20 3.01 -1.06 -4.40 117.46 112.32 1r1x n PHE 41 Ca -0.02 -0.48 0.00 0.00 1.01 0.00 0.00 57.45 57.97 1r1x n PHE 41 Cb 0.14 0.00 0.05 0.00 -0.01 0.00 0.00 39.48 39.66 1r1x n PHE 41 CO 0.00 0.00 0.00 1.19 1.01 0.00 0.00 176.76 178.96 1r1x n PHE 42 N 1.63 0.99 0.31 1.38 3.01 -0.24 -4.86 117.46 119.69 1r1x n PHE 42 Ca 0.24 -1.91 0.20 0.00 1.01 0.00 0.00 57.45 56.99 1r1x n PHE 42 Cb 0.61 -0.16 0.98 0.00 -0.01 0.00 0.00 39.48 40.90 1r1x n PHE 42 CO 0.00 0.00 0.00 1.49 1.01 0.00 0.00 176.76 179.26 1r1x h GLU 43 N 2.35 0.00 0.00 -1.08 4.57 -1.76 -2.31 114.58 116.35 1r1x h GLU 43 Ca -0.16 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.02 1r1x h GLU 43 Cb 1.35 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.94 1r1x h GLU 43 CO 0.16 0.00 -0.29 0.66 -1.18 0.00 0.00 179.01 178.36 1r1x h SER 44 N 0.00 0.00 0.65 1.04 4.64 -1.91 -3.34 113.55 114.64 1r1x h SER 44 Ca 0.00 -0.05 0.00 0.00 -0.47 0.00 0.00 61.79 61.27 1r1x h SER 44 Cb 0.22 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.31 1r1x h SER 44 CO 0.00 0.03 0.00 0.49 -0.87 0.00 0.00 176.83 176.48 1r1x n PHE 45 N -2.51 0.70 0.00 4.77 0.99 -0.87 -5.00 117.46 115.55 1r1x n PHE 45 Ca 0.04 0.28 0.00 0.00 -0.00 0.00 0.00 57.45 57.77 1r1x n PHE 45 Cb 0.48 -0.95 0.00 0.00 -1.00 0.00 0.00 39.48 38.00 1r1x n PHE 45 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17 1r1x n GLY 46 N -0.09 0.82 3.57 1.37 0.00 -1.26 -4.73 105.19 104.87 1r1x n GLY 46 Ca 0.02 -1.55 -0.41 0.00 0.00 0.00 0.00 46.02 44.08 1r1x n GLY 46 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1r1x s ASP 47 N -4.00 6.04 -0.22 1.61 3.68 -1.26 -4.79 116.67 117.72 1r1x s ASP 47 Ca 0.00 0.10 0.12 0.00 2.13 0.00 0.00 52.55 54.89 1r1x s ASP 47 Cb 0.00 -2.55 0.44 0.00 -1.45 0.00 0.00 42.92 39.36 1r1x s ASP 47 CO 0.00 -1.82 1.20 0.18 0.13 0.00 0.00 175.17 174.86 1r1x n LEU 48 N 9.89 3.22 0.17 -1.34 4.77 -1.26 -4.11 117.00 128.34 1r1x n LEU 48 Ca 0.11 -3.96 0.05 0.00 -0.03 0.00 0.00 56.01 52.18 1r1x n LEU 48 Cb 0.49 -0.36 0.22 0.00 -2.33 0.00 0.00 43.42 41.45 1r1x n LEU 48 CO 0.71 1.53 0.61 0.77 -1.33 0.00 0.00 177.39 179.68 1r1x h SER 49 N 1.49 0.00 -5.27 -1.43 4.64 -1.89 -3.45 113.55 107.63 1r1x h SER 49 Ca 0.09 0.00 -0.13 0.00 -0.47 0.00 0.00 61.79 61.28 1r1x h SER 49 Cb 1.28 0.00 -0.15 0.00 -0.31 0.00 0.00 62.40 63.22 1r1x h SER 49 CO 0.27 0.41 -0.64 0.42 -0.87 0.00 0.00 176.83 176.42 1r1x s THR 50 N -3.33 0.19 0.18 2.95 -4.23 -1.26 -5.01 115.64 105.12 1r1x s THR 50 Ca 0.02 -1.78 -0.13 0.00 -1.18 0.00 0.00 61.69 58.62 1r1x s THR 50 Cb 0.09 -1.63 0.08 0.00 1.34 0.00 0.00 72.50 72.38 1r1x s THR 50 CO 0.70 -0.84 1.82 1.55 -0.54 0.00 0.00 174.62 177.31 1r1x h PRO 51 N 3.04 0.62 -0.37 3.99 0.13 -1.98 0.89 132.00 138.32 1r1x h PRO 51 Ca -0.34 -0.04 -0.07 0.00 -0.87 0.00 0.00 66.00 64.69 1r1x h PRO 51 Cb 1.16 -0.14 -0.02 0.00 0.13 0.00 0.00 31.00 32.13 1r1x h PRO 51 CO 0.63 0.41 -0.05 -0.44 -0.23 0.00 0.00 178.00 178.33 1r1x h ASP 52 N 0.64 0.58 0.55 1.44 3.32 -1.97 0.54 116.42 121.51 1r1x h ASP 52 Ca 0.21 -0.13 -0.13 0.00 0.02 0.00 0.00 57.03 57.00 1r1x h ASP 52 Cb 0.02 -0.15 -0.02 0.00 0.22 0.00 0.00 39.33 39.40 1r1x h ASP 52 CO -0.09 0.68 -0.61 0.00 -1.72 0.00 0.00 179.24 177.50 1r1x h ALA 53 N 1.39 0.96 0.01 3.45 0.00 -1.57 -0.38 119.26 123.12 1r1x h ALA 53 Ca 0.11 -0.55 -0.05 0.00 0.00 0.00 0.00 54.91 54.42 1r1x h ALA 53 Cb 0.43 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.13 1r1x h ALA 53 CO 0.02 0.75 -0.19 0.28 0.00 0.00 0.00 179.25 180.11 1r1x h VAL 54 N 0.05 1.62 -0.19 0.00 2.07 0.15 -2.88 116.25 117.07 1r1x h VAL 54 Ca -0.01 -2.09 -0.04 0.00 0.82 0.00 0.00 66.70 65.39 1r1x h VAL 54 Cb 1.09 3.00 -0.01 0.00 -1.52 0.00 0.00 31.29 33.84 1r1x h VAL 54 CO 0.08 0.56 -0.06 0.24 0.02 0.00 0.00 177.57 178.41 1r1x h MET 55 N -0.67 0.28 -0.01 1.57 2.07 0.09 -2.51 114.93 115.76 1r1x h MET 55 Ca -0.03 -0.05 0.00 0.00 -2.07 0.00 0.00 59.70 57.55 1r1x h MET 55 Cb 1.02 -0.04 0.00 0.00 -1.87 0.00 0.00 31.60 30.71 1r1x h MET 55 CO 0.04 0.36 -0.19 0.41 1.07 0.00 0.00 176.91 178.60 1r1x n GLY 56 N -1.00 -0.34 3.71 8.32 0.00 -0.16 -4.87 105.19 110.85 1r1x n GLY 56 Ca -0.00 -0.44 -0.42 0.00 0.00 0.00 0.00 46.02 45.16 1r1x n GLY 56 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1r1x s ASN 57 N -2.34 6.65 0.15 1.61 3.84 -0.95 -4.93 114.94 118.97 1r1x s ASN 57 Ca 0.28 2.50 -0.14 0.00 0.21 0.00 0.00 52.86 55.71 1r1x s ASN 57 Cb 0.20 -2.58 0.03 0.00 -0.55 0.00 0.00 41.25 38.35 1r1x s ASN 57 CO 0.46 -0.80 1.70 -0.65 -2.79 0.00 0.00 177.10 175.03 1r1x h PRO 58 N 7.22 0.74 -0.46 0.43 0.11 -1.91 -2.79 132.00 135.34 1r1x h PRO 58 Ca -0.42 -0.14 -0.04 0.00 0.11 0.00 0.00 66.00 65.51 1r1x h PRO 58 Cb 1.20 -0.12 -0.02 0.00 0.11 0.00 0.00 31.00 32.17 1r1x h PRO 58 CO 0.91 0.67 0.13 0.87 -0.21 0.00 0.00 178.00 180.36 1r1x h LYS 59 N 0.66 0.67 0.06 1.05 1.57 -1.92 0.20 116.57 118.86 1r1x h LYS 59 Ca 0.16 -0.11 -0.00 0.00 -1.87 0.00 0.00 60.65 58.83 1r1x h LYS 59 Cb 0.20 -0.11 0.00 0.00 0.08 0.00 0.00 32.23 32.40 1r1x h LYS 59 CO -0.01 0.60 -0.03 0.28 -0.57 0.00 0.00 179.45 179.72 1r1x h VAL 60 N 0.66 1.03 -0.72 0.50 2.07 -1.86 0.14 116.25 118.07 1r1x h VAL 60 Ca 0.15 -0.29 -0.01 0.00 0.82 0.00 0.00 66.70 67.38 1r1x h VAL 60 Cb 0.21 1.22 -0.03 0.00 -1.52 0.00 0.00 31.29 31.17 1r1x h VAL 60 CO -0.01 0.07 0.42 0.50 0.02 0.00 0.00 177.57 178.57 1r1x h LYS 61 N -0.20 0.99 -0.35 1.57 3.64 -1.21 0.29 116.57 121.30 1r1x h LYS 61 Ca -0.01 -0.10 -0.02 0.00 -1.27 0.00 0.00 60.65 59.26 1r1x h LYS 61 Cb 0.18 -0.20 -0.02 0.00 -0.41 0.00 0.00 32.23 31.78 1r1x h LYS 61 CO 0.01 0.71 0.15 0.00 -2.27 0.00 0.00 179.45 178.06 1r1x h ALA 62 N 1.22 0.46 -0.04 5.00 0.00 -0.77 -2.77 119.26 122.37 1r1x h ALA 62 Ca 0.26 -0.12 -0.15 0.00 0.00 0.00 0.00 54.91 54.90 1r1x h ALA 62 Cb -0.01 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.63 1r1x h ALA 62 CO -0.05 0.04 -0.66 1.25 0.00 0.00 0.00 179.25 179.84 1r1x h HIS 63 N 0.43 0.20 -0.49 0.00 -0.00 -0.44 -3.06 115.15 111.77 1r1x h HIS 63 Ca 0.12 -0.08 -0.02 0.00 -0.00 0.00 0.00 60.37 60.39 1r1x h HIS 63 Cb 0.16 -0.03 -0.02 0.00 -0.00 0.00 0.00 27.41 27.51 1r1x h HIS 63 CO -0.01 0.76 0.24 0.78 -0.00 0.00 0.00 177.93 179.70 1r1x h GLY 64 N 1.68 0.74 1.26 5.26 0.00 -0.27 -2.07 103.07 109.67 1r1x h GLY 64 Ca -0.01 -0.33 -0.04 0.00 0.00 0.00 0.00 47.33 46.95 1r1x h GLY 64 CO 0.10 0.32 0.23 0.50 0.00 0.00 0.00 176.54 177.69 1r1x h LYS 65 N 0.69 0.94 0.43 4.80 1.57 -1.39 -0.14 116.57 123.47 1r1x h LYS 65 Ca 0.17 -0.16 -0.02 0.00 -1.87 0.00 0.00 60.65 58.77 1r1x h LYS 65 Cb 0.07 -0.16 0.00 0.00 0.08 0.00 0.00 32.23 32.23 1r1x h LYS 65 CO -0.02 0.79 -0.21 0.87 -0.57 0.00 0.00 179.45 180.31 1r1x h LYS 66 N 0.92 -0.55 -0.66 3.15 1.57 -1.45 0.26 116.57 119.80 1r1x h LYS 66 Ca 0.21 0.04 0.14 0.00 -1.87 0.00 0.00 60.65 59.17 1r1x h LYS 66 Cb 0.21 0.13 -0.12 0.00 0.08 0.00 0.00 32.23 32.53 1r1x h LYS 66 CO -0.02 -0.27 -0.10 0.28 -0.57 0.00 0.00 179.45 178.77 1r1x h VAL 67 N -0.78 0.37 -0.79 0.50 2.07 -1.19 0.30 116.25 116.73 1r1x h VAL 67 Ca -0.06 -0.01 0.02 0.00 0.82 0.00 0.00 66.70 67.47 1r1x h VAL 67 Cb 0.54 0.33 -0.04 0.00 -1.52 0.00 0.00 31.29 30.60 1r1x h VAL 67 CO 0.10 0.01 0.52 0.25 0.02 0.00 0.00 177.57 178.46 1r1x h LEU 68 N 0.04 0.87 -1.71 2.57 5.85 -0.75 0.59 115.31 122.78 1r1x h LEU 68 Ca 0.33 -0.01 0.06 0.00 0.84 0.00 0.00 57.88 59.10 1r1x h LEU 68 Cb 0.53 -0.21 -0.03 0.00 0.37 0.00 0.00 40.66 41.33 1r1x h LEU 68 CO -0.64 0.62 0.31 1.23 -0.34 0.00 0.00 178.44 179.62 1r1x h GLY 69 N 1.03 0.45 1.07 3.75 0.00 0.31 0.18 103.07 109.85 1r1x h GLY 69 Ca 0.31 -0.14 -0.09 0.00 0.00 0.00 0.00 47.33 47.41 1r1x h GLY 69 CO -0.09 0.11 0.06 0.00 0.00 0.00 0.00 176.54 176.62 1r1x h ALA 70 N 1.75 0.83 -0.15 3.60 0.00 0.12 -2.35 119.26 123.06 1r1x h ALA 70 Ca 0.20 -0.29 -0.09 0.00 0.00 0.00 0.00 54.91 54.74 1r1x h ALA 70 Cb 0.35 -0.23 -0.00 0.00 0.00 0.00 0.00 17.79 17.91 1r1x h ALA 70 CO -0.05 0.63 -0.24 0.74 0.00 0.00 0.00 179.25 180.33 1r1x h PHE 71 N 0.97 0.54 -0.83 0.00 -1.00 -0.49 -1.00 116.94 115.13 1r1x h PHE 71 Ca 0.18 -0.18 0.12 0.00 2.81 0.00 0.00 57.97 60.90 1r1x h PHE 71 Cb 0.49 -0.10 -0.08 0.00 3.61 0.00 0.00 35.95 39.86 1r1x h PHE 71 CO 0.04 0.87 0.44 0.77 -1.61 0.00 0.00 178.31 178.81 1r1x h SER 72 N 0.05 0.56 -0.38 2.17 0.02 -1.18 0.25 113.55 115.04 1r1x h SER 72 Ca 0.01 0.07 -0.09 0.00 -0.84 0.00 0.00 61.79 60.95 1r1x h SER 72 Cb 0.82 -0.02 -0.02 0.00 0.14 0.00 0.00 62.40 63.32 1r1x h SER 72 CO 0.06 0.28 -0.08 -0.78 -1.14 0.00 0.00 176.83 175.16 1r1x h ASP 73 N 0.67 0.80 -0.71 3.07 1.82 -1.33 -1.65 116.42 119.09 1r1x h ASP 73 Ca 0.43 -0.23 -0.03 0.00 -0.39 0.00 0.00 57.03 56.80 1r1x h ASP 73 Cb 0.53 -0.22 -0.03 0.00 0.68 0.00 0.00 39.33 40.29 1r1x h ASP 73 CO -0.32 0.92 0.32 1.23 -1.61 0.00 0.00 179.24 179.78 1r1x h GLY 74 N 0.98 1.12 1.37 -0.78 0.00 0.75 -2.13 103.07 104.38 1r1x h GLY 74 Ca 0.13 -0.58 -0.05 0.00 0.00 0.00 0.00 47.33 46.83 1r1x h GLY 74 CO 0.03 0.55 0.14 1.41 0.00 0.00 0.00 176.54 178.68 1r1x h LEU 75 N 1.01 0.74 -1.21 3.11 3.38 -0.40 -1.56 115.31 120.37 1r1x h LEU 75 Ca 0.24 -0.12 0.00 0.00 0.09 0.00 0.00 57.88 58.09 1r1x h LEU 75 Cb 0.16 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 40.72 1r1x h LEU 75 CO -0.03 0.72 0.00 0.00 0.09 0.00 0.00 178.44 179.22 1r1x h ALA 76 N 1.38 1.00 -1.87 1.53 0.00 -0.65 -3.32 119.26 117.33 1r1x h ALA 76 Ca 0.17 0.00 -0.53 0.00 0.00 0.00 0.00 54.91 54.56 1r1x h ALA 76 Cb 0.26 0.00 -0.38 0.00 0.00 0.00 0.00 17.79 17.67 1r1x h ALA 76 CO -0.01 0.00 -1.09 0.72 0.00 0.00 0.00 179.25 178.88 1r1x n HIS 77 N -2.60 -0.46 -0.02 0.00 8.25 -0.60 -4.96 115.22 114.82 1r1x n HIS 77 Ca 0.01 -3.49 -0.16 0.00 -0.26 0.00 0.00 57.72 53.82 1r1x n HIS 77 Cb 0.22 -0.24 -0.09 0.00 1.12 0.00 0.00 29.99 31.00 1r1x n HIS 77 CO 0.00 0.00 0.00 -0.07 0.64 0.00 0.00 176.34 176.91 1r1x h LEU 78 N 3.82 0.53 0.00 2.41 3.38 -1.62 -3.12 115.31 120.71 1r1x h LEU 78 Ca 0.06 -0.67 0.00 0.00 0.09 0.00 0.00 57.88 57.36 1r1x h LEU 78 Cb 0.91 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 41.50 1r1x h LEU 78 CO 0.46 1.12 0.00 0.47 0.09 0.00 0.00 178.44 180.58 1r1x n ASP 79 N -4.29 0.00 -2.78 -0.43 8.00 -1.24 -1.07 116.55 114.75 1r1x n ASP 79 Ca -0.09 -0.24 -0.08 0.00 0.71 0.00 0.00 54.79 55.09 1r1x n ASP 79 Cb 0.59 0.00 0.04 0.00 -0.02 0.00 0.00 41.12 41.72 1r1x n ASP 79 CO 0.00 0.00 0.00 -3.20 -0.39 0.00 0.00 177.20 173.61 1r1x n ASN 80 N -0.99 -2.84 0.09 -2.24 5.15 -1.18 -4.73 115.26 108.51 1r1x n ASN 80 Ca 0.06 -3.21 -0.03 0.00 -0.60 0.00 0.00 54.58 50.80 1r1x n ASN 80 Cb 0.03 1.69 -0.06 0.00 -0.53 0.00 0.00 39.78 40.90 1r1x n ASN 80 CO 0.00 0.00 0.00 -0.07 1.40 0.00 0.00 177.26 178.59 1r1x h LEU 81 N 4.19 0.00 0.88 1.20 3.38 -1.60 -3.28 115.31 120.07 1r1x h LEU 81 Ca -0.10 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 57.83 1r1x h LEU 81 Cb 1.04 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.79 1r1x h LEU 81 CO 0.28 0.80 -0.45 0.50 0.09 0.00 0.00 178.44 179.67 1r1x h LYS 82 N 0.00 -1.16 -0.75 1.13 3.64 -1.91 -0.78 116.57 116.74 1r1x h LYS 82 Ca -0.02 0.08 0.08 0.00 -1.27 0.00 0.00 60.65 59.52 1r1x h LYS 82 Cb 1.63 0.26 -0.05 0.00 -0.41 0.00 0.00 32.23 33.66 1r1x h LYS 82 CO 0.10 -0.78 0.49 0.78 -2.27 0.00 0.00 179.45 177.78 1r1x h GLY 83 N -1.21 0.98 0.78 5.01 0.00 -1.99 -0.62 103.07 106.03 1r1x h GLY 83 Ca -0.12 -0.29 -0.00 0.00 0.00 0.00 0.00 47.33 46.91 1r1x h GLY 83 CO 0.18 0.19 -0.05 -0.84 0.00 0.00 0.00 176.54 176.03 1r1x h THR 84 N 0.72 1.03 -0.22 4.70 2.02 -1.58 -3.21 112.91 116.38 1r1x h THR 84 Ca 0.34 -0.48 0.00 0.00 0.77 0.00 0.00 66.41 67.04 1r1x h THR 84 Cb 0.36 1.33 0.00 0.00 -1.74 0.00 0.00 68.15 68.11 1r1x h THR 84 CO -0.12 0.12 0.00 0.49 0.37 0.00 0.00 175.52 176.38 1r1x n PHE 85 N -5.05 0.29 -0.24 3.16 3.01 -0.31 -4.50 117.46 113.83 1r1x n PHE 85 Ca -0.08 -0.14 -0.06 0.00 1.01 0.00 0.00 57.45 58.17 1r1x n PHE 85 Cb 0.17 0.00 -0.01 0.00 -0.01 0.00 0.00 39.48 39.63 1r1x n PHE 85 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1r1x h ALA 86 N 3.92 -0.14 -0.72 4.37 0.00 -1.12 -1.16 119.26 124.42 1r1x h ALA 86 Ca 0.00 0.16 -0.04 0.00 0.00 0.00 0.00 54.91 55.03 1r1x h ALA 86 Cb 0.47 0.90 -0.03 0.00 0.00 0.00 0.00 17.79 19.13 1r1x h ALA 86 CO 0.00 -0.73 0.30 1.15 0.00 0.00 0.00 179.25 179.97 1r1x h THR 87 N -0.16 1.24 0.00 0.00 2.02 -1.84 -2.28 112.91 111.89 1r1x h THR 87 Ca 0.23 -0.73 0.00 0.00 0.77 0.00 0.00 66.41 66.67 1r1x h THR 87 Cb 0.56 0.37 0.00 0.00 -1.74 0.00 0.00 68.15 67.34 1r1x h THR 87 CO -0.74 0.30 0.00 -0.07 0.37 0.00 0.00 175.52 175.38 1r1x h LEU 88 N 1.03 0.00 0.08 2.58 3.38 -1.66 -2.81 115.31 117.92 1r1x h LEU 88 Ca 0.24 0.00 -0.27 0.00 0.09 0.00 0.00 57.88 57.94 1r1x h LEU 88 Cb 0.17 0.00 0.01 0.00 0.09 0.00 0.00 40.66 40.93 1r1x h LEU 88 CO -0.02 0.00 -1.21 -1.28 0.09 0.00 0.00 178.44 176.02 1r1x h SER 89 N 0.00 0.49 -0.38 -0.43 0.87 -0.68 -1.28 113.55 112.15 1r1x h SER 89 Ca 0.00 -0.50 -0.12 0.00 -1.23 0.00 0.00 61.79 59.94 1r1x h SER 89 Cb 0.55 -0.16 -0.01 0.00 -0.44 0.00 0.00 62.40 62.35 1r1x h SER 89 CO 0.00 1.37 -0.23 -0.08 -0.53 0.00 0.00 176.83 177.35 1r1x h GLU 90 N 0.11 0.83 0.26 2.24 4.22 -1.30 0.77 114.58 121.71 1r1x h GLU 90 Ca -0.14 -0.39 -0.01 0.00 0.08 0.00 0.00 59.36 58.91 1r1x h GLU 90 Cb 1.92 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 31.16 1r1x h GLU 90 CO 0.20 1.02 -0.12 1.25 -2.18 0.00 0.00 179.01 179.18 1r1x h LEU 91 N 0.63 -0.29 -1.02 1.64 5.85 -1.53 0.11 115.31 120.70 1r1x h LEU 91 Ca 0.08 -0.17 -0.10 0.00 0.84 0.00 0.00 57.88 58.53 1r1x h LEU 91 Cb 0.80 0.08 -0.01 0.00 0.37 0.00 0.00 40.66 41.89 1r1x h LEU 91 CO 0.07 0.02 -0.39 0.45 -0.34 0.00 0.00 178.44 178.24 1r1x h HIS 92 N -0.62 0.22 0.00 1.25 3.86 -1.24 0.23 115.15 118.85 1r1x h HIS 92 Ca -0.04 -0.06 0.00 0.00 -1.16 0.00 0.00 60.37 59.12 1r1x h HIS 92 Cb 0.44 -0.05 0.00 0.00 1.06 0.00 0.00 27.41 28.86 1r1x h HIS 92 CO 0.01 0.56 -0.59 0.00 0.86 0.00 0.00 177.93 178.77 1r1x h ASP 94 N -0.85 0.45 0.00 0.00 3.32 -0.90 -2.05 116.42 116.39 1r1x h ASP 94 Ca 0.00 -0.28 -0.12 0.00 0.02 0.00 0.00 57.03 56.65 1r1x h ASP 94 Cb 0.59 -0.13 -0.02 0.00 0.22 0.00 0.00 39.33 39.99 1r1x h ASP 94 CO 0.00 1.00 -1.02 0.29 -1.72 0.00 0.00 179.24 177.78 1r1x n LYS 95 N -3.86 0.51 0.02 3.56 5.02 -0.88 -4.61 118.16 117.92 1r1x n LYS 95 Ca -0.04 0.46 -0.12 0.00 -2.02 0.00 0.00 58.31 56.60 1r1x n LYS 95 Cb 0.67 -1.65 0.01 0.00 -0.02 0.00 0.00 35.03 34.04 1r1x n LYS 95 CO 0.00 0.00 0.00 -0.07 -0.52 0.00 0.00 177.40 176.81 1r1x h LEU 96 N -1.00 0.63 -1.67 -0.35 3.38 -0.70 -3.48 115.31 112.12 1r1x h LEU 96 Ca -0.18 -0.40 -0.33 0.00 0.09 0.00 0.00 57.88 57.06 1r1x h LEU 96 Cb 0.93 -0.19 0.17 0.00 0.09 0.00 0.00 40.66 41.67 1r1x h LEU 96 CO -0.11 1.15 -0.77 1.41 0.09 0.00 0.00 178.44 180.21 1r1x n HIS 97 N -3.88 -2.19 -2.03 1.13 8.25 -0.77 -4.89 115.22 110.84 1r1x n HIS 97 Ca -0.05 0.94 -0.42 0.00 -0.26 0.00 0.00 57.72 57.93 1r1x n HIS 97 Cb 0.70 -5.07 -0.03 0.00 1.12 0.00 0.00 29.99 26.72 1r1x n HIS 97 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 1r1x s VAL 98 N -3.36 3.45 0.05 1.59 1.01 -0.37 -4.88 120.40 117.89 1r1x s VAL 98 Ca 0.01 0.72 -0.34 0.00 0.00 0.00 0.00 61.98 62.37 1r1x s VAL 98 Cb -0.00 -3.46 -0.18 0.00 0.00 0.00 0.00 36.38 32.74 1r1x s VAL 98 CO 0.73 -0.03 0.85 0.47 0.00 0.00 0.00 175.10 177.12 1r1x n ASP 99 N 6.33 -0.34 -4.73 3.32 8.00 -1.26 -4.82 116.55 123.05 1r1x n ASP 99 Ca 0.16 1.07 -0.39 0.00 0.71 0.00 0.00 54.79 56.34 1r1x n ASP 99 Cb 0.42 -0.86 0.04 0.00 -0.02 0.00 0.00 41.12 40.70 1r1x n ASP 99 CO 0.00 0.00 0.00 -2.65 -0.39 0.00 0.00 177.20 174.16 1r1x n PRO 100 N 1.26 1.63 0.00 -0.24 -0.02 -1.26 -2.60 135.00 133.76 1r1x n PRO 100 Ca 0.18 0.60 0.00 0.00 -2.02 0.00 0.00 63.50 62.26 1r1x n PRO 100 Cb 0.12 -2.53 0.00 0.00 -0.02 0.00 0.00 33.50 31.07 1r1x n PRO 100 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 1r1x n GLU 101 N -0.96 0.00 -0.06 -0.52 1.02 -1.26 -4.92 120.64 113.94 1r1x n GLU 101 Ca 0.11 0.00 0.02 0.00 -0.02 0.00 0.00 57.16 57.27 1r1x n GLU 101 Cb 0.44 -0.27 0.34 0.00 -0.02 0.00 0.00 31.44 31.94 1r1x n GLU 101 CO 0.00 0.00 0.00 -0.91 1.18 0.00 0.00 177.13 177.40 1r1x h ASN 102 N 0.00 0.59 -0.29 1.62 2.35 -1.84 -2.63 115.58 115.38 1r1x h ASN 102 Ca 0.00 -0.04 -0.04 0.00 -0.55 0.00 0.00 56.30 55.67 1r1x h ASN 102 Cb 0.00 -0.15 -0.02 0.00 0.05 0.00 0.00 38.32 38.20 1r1x h ASN 102 CO 0.00 0.48 0.06 -0.26 -1.65 0.00 0.00 177.43 176.06 1r1x h PHE 103 N 0.67 0.57 -0.02 1.19 0.04 -1.91 -2.35 116.94 115.13 1r1x h PHE 103 Ca 0.17 -0.04 -0.19 0.00 2.80 0.00 0.00 57.97 60.71 1r1x h PHE 103 Cb 0.02 -0.17 -0.01 0.00 2.20 0.00 0.00 35.95 37.99 1r1x h PHE 103 CO 0.00 0.51 -0.82 0.00 -0.60 0.00 0.00 178.31 177.40 1r1x h ARG 104 N 0.54 0.30 0.02 1.51 3.08 -1.83 -2.59 114.38 115.42 1r1x h ARG 104 Ca 0.12 -0.29 0.01 0.00 0.07 0.00 0.00 59.98 59.90 1r1x h ARG 104 Cb 0.25 0.07 -0.01 0.00 0.08 0.00 0.00 29.97 30.36 1r1x h ARG 104 CO 0.00 0.97 -0.07 -0.07 -1.07 0.00 0.00 179.97 179.73 1r1x h LEU 105 N 0.18 -0.19 -1.17 3.04 3.38 -1.26 -0.17 115.31 119.13 1r1x h LEU 105 Ca -0.04 0.03 0.00 0.00 0.09 0.00 0.00 57.88 57.95 1r1x h LEU 105 Cb 1.43 0.08 -0.04 0.00 0.09 0.00 0.00 40.66 42.22 1r1x h LEU 105 CO 0.13 -0.10 0.50 0.25 0.09 0.00 0.00 178.44 179.31 1r1x h LEU 106 N -0.13 0.93 -0.39 1.67 5.85 -1.44 0.34 115.31 122.14 1r1x h LEU 106 Ca 0.02 -0.04 -0.01 0.00 0.84 0.00 0.00 57.88 58.69 1r1x h LEU 106 Cb 0.15 -0.23 -0.02 0.00 0.37 0.00 0.00 40.66 40.93 1r1x h LEU 106 CO -0.05 0.70 0.19 1.23 -0.34 0.00 0.00 178.44 180.17 1r1x h GLY 107 N 1.10 0.60 2.00 3.75 0.00 -1.06 0.56 103.07 110.02 1r1x h GLY 107 Ca 0.29 -0.29 -0.05 0.00 0.00 0.00 0.00 47.33 47.27 1r1x h GLY 107 CO -0.06 0.28 -0.25 3.43 0.00 0.00 0.00 176.54 179.94 1r1x h ASN 108 N 0.49 0.00 0.21 0.19 -0.26 -0.05 0.13 115.58 116.29 1r1x h ASN 108 Ca 0.13 0.00 -0.24 0.00 -0.56 0.00 0.00 56.30 55.63 1r1x h ASN 108 Cb 0.11 0.00 0.01 0.00 -1.06 0.00 0.00 38.32 37.38 1r1x h ASN 108 CO -0.02 0.25 -0.99 0.58 -1.06 0.00 0.00 177.43 176.20 1r1x h VAL 109 N 0.00 1.35 -0.10 2.81 2.07 0.35 -2.16 116.25 120.57 1r1x h VAL 109 Ca -0.00 -2.38 0.03 0.00 0.82 0.00 0.00 66.70 65.17 1r1x h VAL 109 Cb 0.50 2.41 -0.03 0.00 -1.52 0.00 0.00 31.29 32.65 1r1x h VAL 109 CO 0.03 0.72 -0.07 0.25 0.02 0.00 0.00 177.57 178.52 1r1x h LEU 110 N 0.29 -0.23 -1.13 2.57 6.46 0.12 0.59 115.31 123.99 1r1x h LEU 110 Ca -0.10 0.05 0.13 0.00 -0.12 0.00 0.00 57.88 57.84 1r1x h LEU 110 Cb 1.63 0.12 -0.08 0.00 -0.73 0.00 0.00 40.66 41.60 1r1x h LEU 110 CO 0.18 -0.10 0.60 0.58 -0.62 0.00 0.00 178.44 179.08 1r1x h VAL 111 N -0.08 0.89 -0.25 1.05 2.07 -0.74 0.11 116.25 119.30 1r1x h VAL 111 Ca 0.06 -0.30 -0.12 0.00 0.82 0.00 0.00 66.70 67.17 1r1x h VAL 111 Cb 0.17 -0.05 -0.01 0.00 -1.52 0.00 0.00 31.29 29.88 1r1x h VAL 111 CO -0.15 0.16 -0.34 0.00 0.02 0.00 0.00 177.57 177.26 1r1x h VAL 113 N 0.45 1.27 -0.55 0.00 2.07 0.79 -1.81 116.25 118.48 1r1x h VAL 113 Ca 0.05 -1.33 -0.03 0.00 0.82 0.00 0.00 66.70 66.22 1r1x h VAL 113 Cb 0.80 1.08 -0.02 0.00 -1.52 0.00 0.00 31.29 31.63 1r1x h VAL 113 CO 0.07 0.46 0.23 -0.07 0.02 0.00 0.00 177.57 178.28 1r1x h LEU 114 N 0.85 0.75 -0.30 2.57 3.38 -0.58 -1.86 115.31 120.12 1r1x h LEU 114 Ca 0.12 -0.16 -0.01 0.00 0.09 0.00 0.00 57.88 57.92 1r1x h LEU 114 Cb 0.74 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 41.28 1r1x h LEU 114 CO 0.06 0.71 0.13 0.00 0.09 0.00 0.00 178.44 179.43 1r1x h ALA 115 N 1.08 0.39 -0.41 1.53 0.00 -1.22 -0.67 119.26 119.96 1r1x h ALA 115 Ca 0.19 -0.11 0.03 0.00 0.00 0.00 0.00 54.91 55.02 1r1x h ALA 115 Cb 0.18 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 17.82 1r1x h ALA 115 CO -0.02 -0.04 0.20 1.25 0.00 0.00 0.00 179.25 180.65 1r1x h HIS 116 N 0.34 0.37 -0.21 0.00 -0.00 -1.18 0.70 115.15 115.19 1r1x h HIS 116 Ca 0.10 0.02 -0.09 0.00 -0.00 0.00 0.00 60.37 60.39 1r1x h HIS 116 Cb 0.15 -0.11 -0.00 0.00 -0.00 0.00 0.00 27.41 27.44 1r1x h HIS 116 CO -0.01 0.19 -0.24 1.25 -0.00 0.00 0.00 177.93 179.13 1r1x h HIS 117 N 0.41 0.63 0.00 5.26 6.17 -1.25 -3.34 115.15 123.03 1r1x h HIS 117 Ca 0.17 -0.20 0.00 0.00 0.71 0.00 0.00 60.37 61.06 1r1x h HIS 117 Cb 0.08 -0.13 0.00 0.00 2.52 0.00 0.00 27.41 29.88 1r1x h HIS 117 CO -0.10 0.89 -1.16 1.19 0.71 0.00 0.00 177.93 179.46 1r1x n PHE 118 N -4.40 0.79 0.00 5.26 3.01 -0.27 -5.02 117.46 116.83 1r1x n PHE 118 Ca -0.05 0.23 0.00 0.00 1.01 0.00 0.00 57.45 58.64 1r1x n PHE 118 Cb 0.43 -0.87 0.00 0.00 -0.01 0.00 0.00 39.48 39.03 1r1x n PHE 118 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1r1x n GLY 119 N 1.20 4.05 0.37 1.37 0.00 0.24 -2.29 105.19 110.13 1r1x n GLY 119 Ca -0.01 0.17 0.12 0.00 0.00 0.00 0.00 46.02 46.31 1r1x n GLY 119 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 1r1x h LYS 120 N 0.00 0.75 -0.26 1.61 3.64 -1.96 -1.43 116.57 118.92 1r1x h LYS 120 Ca 0.00 -0.04 0.08 0.00 -1.27 0.00 0.00 60.65 59.41 1r1x h LYS 120 Cb 0.00 -0.17 -0.01 0.00 -0.41 0.00 0.00 32.23 31.64 1r1x h LYS 120 CO 0.00 0.49 0.19 0.93 -2.27 0.00 0.00 179.45 178.79 1r1x h GLU 121 N 0.77 0.00 -4.52 1.90 5.08 -1.85 -3.24 114.58 112.72 1r1x h GLU 121 Ca 0.53 -0.00 -0.73 0.00 -1.00 0.00 0.00 59.36 58.16 1r1x h GLU 121 Cb 0.81 -0.00 -0.12 0.00 0.50 0.00 0.00 28.75 29.94 1r1x h GLU 121 CO -0.30 0.00 2.06 0.34 -1.00 0.00 0.00 179.01 180.11 1r1x n PHE 122 N -4.46 4.09 -1.29 4.33 7.35 -0.54 -4.90 117.46 122.03 1r1x n PHE 122 Ca 0.03 -3.02 -0.31 0.00 -0.76 0.00 0.00 57.45 53.39 1r1x n PHE 122 Cb 0.34 -2.29 0.09 0.00 0.35 0.00 0.00 39.48 37.97 1r1x n PHE 122 CO 0.00 0.00 0.00 0.95 -0.76 0.00 0.00 176.76 176.95 1r1x s THR 123 N 2.13 3.25 0.20 -2.13 -4.23 -1.23 -4.69 115.64 108.95 1r1x s THR 123 Ca 0.45 0.43 -0.13 0.00 -1.18 0.00 0.00 61.69 61.26 1r1x s THR 123 Cb 0.05 -2.89 0.18 0.00 1.34 0.00 0.00 72.50 71.18 1r1x s THR 123 CO 0.00 -0.51 1.66 -0.65 -0.54 0.00 0.00 174.62 174.58 1r1x h PRO 124 N -1.03 0.07 -0.45 3.99 0.11 -1.93 0.28 132.00 133.04 1r1x h PRO 124 Ca -0.44 -0.00 -0.03 0.00 0.11 0.00 0.00 66.00 65.64 1r1x h PRO 124 Cb 1.23 -0.02 -0.02 0.00 0.11 0.00 0.00 31.00 32.31 1r1x h PRO 124 CO 0.51 0.05 0.17 -1.00 -0.21 0.00 0.00 178.00 177.51 1r1x h PRO 125 N 0.07 0.64 -0.41 1.05 0.13 -1.99 -0.30 132.00 131.20 1r1x h PRO 125 Ca 0.29 -0.09 -0.09 0.00 -0.87 0.00 0.00 66.00 65.25 1r1x h PRO 125 Cb 0.46 -0.12 -0.01 0.00 0.13 0.00 0.00 31.00 31.46 1r1x h PRO 125 CO -0.53 0.54 -0.08 0.28 -0.23 0.00 0.00 178.00 177.99 1r1x h VAL 126 N 0.63 1.27 -0.50 1.56 2.07 -1.27 -2.61 116.25 117.40 1r1x h VAL 126 Ca 0.15 -1.16 0.00 0.00 0.82 0.00 0.00 66.70 66.52 1r1x h VAL 126 Cb 0.15 1.19 -0.02 0.00 -1.52 0.00 0.00 31.29 31.08 1r1x h VAL 126 CO -0.01 0.39 0.32 -0.61 0.02 0.00 0.00 177.57 177.68 1r1x h GLN 127 N 0.59 0.67 -0.85 1.57 4.15 0.04 -2.52 115.11 118.76 1r1x h GLN 127 Ca 0.11 -0.05 0.11 0.00 0.77 0.00 0.00 58.65 59.59 1r1x h GLN 127 Cb 0.60 -0.15 -0.08 0.00 0.21 0.00 0.00 27.48 28.06 1r1x h GLN 127 CO 0.04 0.47 0.48 0.00 -1.93 0.00 0.00 178.83 177.89 1r1x h ALA 128 N 1.17 1.25 -0.44 3.38 0.00 -0.87 0.03 119.26 123.78 1r1x h ALA 128 Ca 0.18 0.05 -0.03 0.00 0.00 0.00 0.00 54.91 55.11 1r1x h ALA 128 Cb -0.05 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.62 1r1x h ALA 128 CO -0.04 0.05 0.14 0.00 0.00 0.00 0.00 179.25 179.40 1r1x h ALA 129 N 1.50 1.42 0.00 0.00 0.00 -1.09 -2.73 119.26 118.36 1r1x h ALA 129 Ca 0.43 -0.15 -0.18 0.00 0.00 0.00 0.00 54.91 55.02 1r1x h ALA 129 Cb 0.47 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 18.06 1r1x h ALA 129 CO -0.29 0.43 -0.84 1.88 0.00 0.00 0.00 179.25 180.44 1r1x h TYR 130 N 0.63 0.00 -0.03 0.00 0.05 -0.72 -3.01 116.97 113.89 1r1x h TYR 130 Ca 0.15 0.00 -0.07 0.00 0.05 0.00 0.00 58.73 58.86 1r1x h TYR 130 Cb 0.19 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 37.92 1r1x h TYR 130 CO 0.01 0.84 -0.30 1.96 -1.05 0.00 0.00 178.16 179.62 1r1x h GLN 131 N 0.00 0.05 -0.04 4.88 1.08 -0.87 0.25 115.11 120.46 1r1x h GLN 131 Ca -0.01 -0.01 -0.01 0.00 -1.45 0.00 0.00 58.65 57.16 1r1x h GLN 131 Cb 1.53 -0.00 -0.00 0.00 -0.05 0.00 0.00 27.48 28.95 1r1x h GLN 131 CO 0.11 0.34 -0.03 0.87 -0.95 0.00 0.00 178.83 179.17 1r1x h LYS 132 N 0.04 0.09 0.11 1.46 1.57 -1.48 -1.42 116.57 116.95 1r1x h LYS 132 Ca 0.00 -0.05 0.02 0.00 -1.87 0.00 0.00 60.65 58.76 1r1x h LYS 132 Cb 0.55 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 32.83 1r1x h LYS 132 CO 0.04 0.53 -0.25 0.28 -0.57 0.00 0.00 179.45 179.48 1r1x h VAL 133 N -0.35 0.44 -0.99 0.50 2.07 -1.32 0.21 116.25 116.80 1r1x h VAL 133 Ca 0.01 0.00 0.13 0.00 0.82 0.00 0.00 66.70 67.66 1r1x h VAL 133 Cb 0.51 0.44 -0.09 0.00 -1.52 0.00 0.00 31.29 30.64 1r1x h VAL 133 CO 0.01 0.00 0.61 0.58 0.02 0.00 0.00 177.57 178.79 1r1x h VAL 134 N -0.46 0.87 -0.06 2.57 2.07 -0.99 0.31 116.25 120.56 1r1x h VAL 134 Ca 0.03 -0.32 -0.16 0.00 0.82 0.00 0.00 66.70 67.08 1r1x h VAL 134 Cb 0.48 -0.13 -0.01 0.00 -1.52 0.00 0.00 31.29 30.11 1r1x h VAL 134 CO -0.15 0.17 -0.65 0.00 0.02 0.00 0.00 177.57 176.96 1r1x h ALA 135 N 1.55 0.78 -0.39 1.67 0.00 -0.68 -0.36 119.26 121.84 1r1x h ALA 135 Ca 0.51 -0.57 -0.11 0.00 0.00 0.00 0.00 54.91 54.73 1r1x h ALA 135 Cb 0.56 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.26 1r1x h ALA 135 CO -0.29 0.76 -0.19 0.78 0.00 0.00 0.00 179.25 180.31 1r1x h GLY 136 N 1.52 0.88 0.94 0.00 0.00 0.12 -1.85 103.07 104.68 1r1x h GLY 136 Ca -0.01 -0.79 -0.12 0.00 0.00 0.00 0.00 47.33 46.40 1r1x h GLY 136 CO 0.10 0.72 -0.32 -2.08 0.00 0.00 0.00 176.54 174.96 1r1x h VAL 137 N 0.62 1.31 -0.48 4.60 2.07 -0.97 -1.82 116.25 121.59 1r1x h VAL 137 Ca 0.09 -1.51 -0.06 0.00 0.82 0.00 0.00 66.70 66.04 1r1x h VAL 137 Cb 0.74 1.72 -0.02 0.00 -1.52 0.00 0.00 31.29 32.20 1r1x h VAL 137 CO 0.06 0.47 0.06 0.00 0.02 0.00 0.00 177.57 178.18 1r1x h ALA 138 N 0.66 1.20 -0.33 1.67 0.00 -1.07 0.24 119.26 121.63 1r1x h ALA 138 Ca 0.03 -0.22 -0.11 0.00 0.00 0.00 0.00 54.91 54.61 1r1x h ALA 138 Cb 0.90 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.48 1r1x h ALA 138 CO 0.08 0.53 -0.22 -0.97 0.00 0.00 0.00 179.25 178.67 1r1x h ASN 139 N 0.73 0.76 -0.48 0.00 -0.73 -1.31 -2.90 115.58 111.66 1r1x h ASN 139 Ca 0.15 -0.43 -0.06 0.00 1.87 0.00 0.00 56.30 57.83 1r1x h ASN 139 Cb 0.36 -0.21 -0.02 0.00 0.27 0.00 0.00 38.32 38.72 1r1x h ASN 139 CO 0.01 1.03 0.05 0.00 -0.37 0.00 0.00 177.43 178.15 1r1x h ALA 140 N 0.76 0.64 0.00 1.57 0.00 -1.02 -2.45 119.26 118.75 1r1x h ALA 140 Ca 0.07 -0.25 0.00 0.00 0.00 0.00 0.00 54.91 54.73 1r1x h ALA 140 Cb 0.77 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.38 1r1x h ALA 140 CO 0.06 0.39 0.00 1.25 0.00 0.00 0.00 179.25 180.95 1r1x h LEU 141 N 0.67 0.00 -3.38 0.00 5.85 -0.93 -2.06 115.31 115.46 1r1x h LEU 141 Ca 0.14 0.00 -0.05 0.00 0.84 0.00 0.00 57.88 58.81 1r1x h LEU 141 Cb 0.44 0.00 -0.03 0.00 0.37 0.00 0.00 40.66 41.43 1r1x h LEU 141 CO 0.01 0.00 0.03 0.00 -0.34 0.00 0.00 178.44 178.14 1r1x n ALA 142 N -1.86 3.49 0.31 1.25 0.00 -0.93 -4.42 120.51 118.34 1r1x n ALA 142 Ca 0.00 -2.37 0.19 0.00 0.00 0.00 0.00 53.44 51.26 1r1x n ALA 142 Cb 0.16 -0.84 0.96 0.00 0.00 0.00 0.00 19.45 19.72 1r1x n ALA 142 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 1r1x h HIS 143 N 2.09 0.00 0.00 0.00 6.17 -1.27 -1.45 115.15 120.70 1r1x h HIS 143 Ca 0.06 0.00 0.00 0.00 0.71 0.00 0.00 60.37 61.14 1r1x h HIS 143 Cb 1.67 0.00 0.00 0.00 2.52 0.00 0.00 27.41 31.60 1r1x h HIS 143 CO 0.75 0.02 0.00 1.63 0.71 0.00 0.00 177.93 181.04 1r1x n LYS 144 N -3.22 0.11 -0.15 5.26 4.76 -1.26 -2.24 118.16 121.41 1r1x n LYS 144 Ca -0.02 0.13 0.12 0.00 -2.87 0.00 0.00 58.31 55.67 1r1x n LYS 144 Cb 0.17 -1.63 0.20 0.00 -1.84 0.00 0.00 35.03 31.93 1r1x n LYS 144 CO 0.00 0.00 0.00 0.66 -1.37 0.00 0.00 177.40 176.69 1r1x n TYR 145 N -1.82 0.40 1.25 2.13 4.01 -0.55 -5.01 117.16 117.58 1r1x n TYR 145 Ca 0.06 -0.20 0.13 0.00 -0.16 0.00 0.00 57.90 57.73 1r1x n TYR 145 Cb 0.35 0.00 0.32 0.00 -0.31 0.00 0.00 39.34 39.69 1r1x n TYR 145 CO 0.00 0.00 0.00 0.72 -0.46 0.00 0.00 176.86 177.12