#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1mko s HIS 2 N 0.00 3.31 0.13 1.45 2.46 -1.26 -4.93 115.29 116.45 1mko s HIS 2 Ca 0.00 -1.48 -0.23 0.00 0.47 0.00 0.00 55.06 53.83 1mko s HIS 2 Cb 0.00 -2.69 -0.07 0.00 -0.13 0.00 0.00 32.58 29.69 1mko s HIS 2 CO 0.00 -0.79 0.69 -0.51 -2.47 0.00 0.00 174.74 171.66 1mko s LEU 3 N 1.42 4.56 0.65 8.88 1.02 -1.26 -5.05 118.68 128.89 1mko s LEU 3 Ca 0.02 1.48 -0.14 0.00 0.02 0.00 0.00 54.13 55.51 1mko s LEU 3 Cb -0.21 -3.14 -0.01 0.00 0.02 0.00 0.00 46.19 42.84 1mko s LEU 3 CO 0.03 0.23 1.08 0.42 0.02 0.00 0.00 176.35 178.12 1mko s THR 4 N -1.15 3.63 0.57 5.49 -4.23 -1.26 -4.73 115.64 113.97 1mko s THR 4 Ca 0.33 0.70 0.27 0.00 -1.18 0.00 0.00 61.69 61.82 1mko s THR 4 Cb -0.21 -3.26 0.36 0.00 1.34 0.00 0.00 72.50 70.72 1mko s THR 4 CO 0.23 -0.52 2.10 1.55 -0.54 0.00 0.00 174.62 177.44 1mko h PRO 5 N -0.01 0.00 -0.13 3.99 0.13 -1.98 0.28 132.00 134.27 1mko h PRO 5 Ca -0.46 0.00 -0.16 0.00 -0.87 0.00 0.00 66.00 64.51 1mko h PRO 5 Cb 1.23 0.00 0.01 0.00 0.13 0.00 0.00 31.00 32.36 1mko h PRO 5 CO 0.56 0.00 -0.53 1.49 -0.23 0.00 0.00 178.00 179.29 1mko h GLU 6 N 0.00 0.59 -0.25 0.86 4.22 -1.99 -2.31 114.58 115.70 1mko h GLU 6 Ca 0.10 -0.46 -0.19 0.00 0.08 0.00 0.00 59.36 58.89 1mko h GLU 6 Cb 0.49 0.09 0.00 0.00 0.50 0.00 0.00 28.75 29.83 1mko h GLU 6 CO -0.00 1.08 -0.58 0.93 -2.18 0.00 0.00 179.01 178.26 1mko h GLU 7 N 0.24 0.84 -0.41 1.92 5.08 -1.57 -2.31 114.58 118.36 1mko h GLU 7 Ca -0.03 -0.56 0.07 0.00 -1.00 0.00 0.00 59.36 57.84 1mko h GLU 7 Cb 1.16 0.08 -0.06 0.00 0.50 0.00 0.00 28.75 30.43 1mko h GLU 7 CO 0.11 1.19 0.04 -0.22 -1.00 0.00 0.00 179.01 179.13 1mko h LYS 8 N 0.61 0.15 0.00 2.33 3.64 -0.50 0.24 116.57 123.03 1mko h LYS 8 Ca 0.00 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.37 1mko h LYS 8 Cb 1.19 -0.03 0.00 0.00 -0.41 0.00 0.00 32.23 32.98 1mko h LYS 8 CO 0.13 0.10 0.00 0.66 -2.27 0.00 0.00 179.45 178.06 1mko h SER 9 N 0.15 0.00 0.01 4.20 4.64 -1.42 -2.27 113.55 118.87 1mko h SER 9 Ca 0.20 0.00 -0.18 0.00 -0.47 0.00 0.00 61.79 61.34 1mko h SER 9 Cb 0.27 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 62.37 1mko h SER 9 CO -0.30 0.00 -0.70 0.00 -0.87 0.00 0.00 176.83 174.96 1mko h ALA 10 N 2.14 0.07 0.11 5.18 0.00 -0.06 -1.82 119.26 124.88 1mko h ALA 10 Ca 0.00 -0.60 -0.01 0.00 0.00 0.00 0.00 54.91 54.30 1mko h ALA 10 Cb 0.57 0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.41 1mko h ALA 10 CO 0.00 0.41 -0.06 -0.39 0.00 0.00 0.00 179.25 179.22 1mko h VAL 11 N -0.04 1.01 -0.97 0.00 -1.51 -0.66 -2.44 116.25 111.63 1mko h VAL 11 Ca -0.09 -0.50 0.18 0.00 -1.23 0.00 0.00 66.70 65.06 1mko h VAL 11 Cb 1.41 1.33 -0.09 0.00 -2.13 0.00 0.00 31.29 31.81 1mko h VAL 11 CO 0.14 0.12 0.61 0.74 -1.23 0.00 0.00 177.57 177.95 1mko h THR 12 N -0.39 0.74 0.06 7.19 2.02 -1.49 0.12 112.91 121.16 1mko h THR 12 Ca -0.02 -0.24 -0.00 0.00 0.77 0.00 0.00 66.41 66.92 1mko h THR 12 Cb 0.32 -0.02 0.00 0.00 -1.74 0.00 0.00 68.15 66.71 1mko h THR 12 CO 0.03 0.13 -0.03 0.00 0.37 0.00 0.00 175.52 176.02 1mko h ALA 13 N 1.62 -0.08 -0.49 6.16 0.00 -1.17 -2.82 119.26 122.48 1mko h ALA 13 Ca 0.53 -0.18 -0.07 0.00 0.00 0.00 0.00 54.91 55.19 1mko h ALA 13 Cb 0.90 0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.70 1mko h ALA 13 CO -0.30 -0.37 0.04 1.25 0.00 0.00 0.00 179.25 179.88 1mko h LEU 14 N -0.43 0.82 -0.85 0.00 5.85 -0.87 -3.13 115.31 116.70 1mko h LEU 14 Ca -0.01 -0.29 0.07 0.00 0.84 0.00 0.00 57.88 58.50 1mko h LEU 14 Cb 0.38 -0.22 -0.06 0.00 0.37 0.00 0.00 40.66 41.13 1mko h LEU 14 CO 0.01 0.90 0.51 -0.25 -0.34 0.00 0.00 178.44 179.28 1mko h TRP 15 N 0.71 0.95 -0.09 1.25 2.91 -0.82 -0.03 115.95 120.82 1mko h TRP 15 Ca 0.14 0.03 0.03 0.00 1.13 0.00 0.00 58.89 60.22 1mko h TRP 15 Cb 0.46 -0.30 -0.00 0.00 -0.51 0.00 0.00 29.16 28.80 1mko h TRP 15 CO 0.03 0.45 0.30 0.78 -1.03 0.00 0.00 178.44 178.98 1mko h GLY 16 N 0.92 0.00 -1.61 2.65 0.00 -1.44 0.29 103.07 103.88 1mko h GLY 16 Ca 0.38 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.71 1mko h GLY 16 CO -0.20 0.00 0.00 0.28 0.00 0.00 0.00 176.54 176.62 1mko n LYS 17 N -3.14 2.17 -2.61 4.80 5.02 -0.03 -4.95 118.16 119.42 1mko n LYS 17 Ca -0.00 -1.73 -0.42 0.00 -2.02 0.00 0.00 58.31 54.13 1mko n LYS 17 Cb 0.38 -1.47 -0.03 0.00 -0.02 0.00 0.00 35.03 33.89 1mko n LYS 17 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1mko s VAL 18 N -1.81 4.60 -0.41 -0.18 1.01 0.10 -4.96 120.40 118.75 1mko s VAL 18 Ca 0.34 1.88 -0.28 0.00 0.00 0.00 0.00 61.98 63.92 1mko s VAL 18 Cb 0.21 -4.21 -0.01 0.00 0.00 0.00 0.00 36.38 32.37 1mko s VAL 18 CO 0.30 0.05 1.73 0.21 0.00 0.00 0.00 175.10 177.40 1mko s ASN 19 N 1.17 5.84 0.32 3.32 3.84 -1.26 -4.85 114.94 123.32 1mko s ASN 19 Ca 0.52 0.98 0.02 0.00 0.21 0.00 0.00 52.86 54.59 1mko s ASN 19 Cb -0.21 -2.53 0.54 0.00 -0.55 0.00 0.00 41.25 38.49 1mko s ASN 19 CO 0.22 -1.81 1.89 1.62 -2.79 0.00 0.00 177.10 176.23 1mko h VAL 20 N 6.75 1.20 0.00 -5.21 3.04 -1.94 -1.23 116.25 118.86 1mko h VAL 20 Ca -0.31 -0.69 0.00 0.00 -1.01 0.00 0.00 66.70 64.69 1mko h VAL 20 Cb 1.15 0.70 0.00 0.00 -2.01 0.00 0.00 31.29 31.13 1mko h VAL 20 CO 1.09 0.26 0.00 0.47 -1.01 0.00 0.00 177.57 178.37 1mko n ASP 21 N -4.31 0.00 0.00 3.17 8.00 -1.26 -4.42 116.55 117.72 1mko n ASP 21 Ca 0.03 -0.16 0.00 0.00 0.71 0.00 0.00 54.79 55.37 1mko n ASP 21 Cb 0.20 -0.27 0.00 0.00 -0.02 0.00 0.00 41.12 41.03 1mko n ASP 21 CO 0.00 0.00 0.00 1.21 -0.39 0.00 0.00 177.20 178.02 1mko n GLU 22 N -1.27 0.00 -0.34 -1.24 4.07 -0.94 -4.73 120.64 116.19 1mko n GLU 22 Ca 0.14 0.00 0.10 0.00 -0.06 0.00 0.00 57.16 57.34 1mko n GLU 22 Cb 0.22 -0.76 0.30 0.00 -0.06 0.00 0.00 31.44 31.14 1mko n GLU 22 CO 0.00 0.00 0.00 0.28 -0.06 0.00 0.00 177.13 177.35 1mko h VAL 23 N 0.00 0.84 0.10 6.31 2.07 -1.45 -1.98 116.25 122.14 1mko h VAL 23 Ca 0.00 -0.29 -0.00 0.00 0.82 0.00 0.00 66.70 67.22 1mko h VAL 23 Cb 0.72 -0.10 0.00 0.00 -1.52 0.00 0.00 31.29 30.39 1mko h VAL 23 CO 0.00 0.16 -0.05 1.23 0.02 0.00 0.00 177.57 178.93 1mko h GLY 24 N 0.86 -0.14 0.86 2.17 0.00 -1.79 -0.11 103.07 104.92 1mko h GLY 24 Ca 0.51 0.05 0.04 0.00 0.00 0.00 0.00 47.33 47.93 1mko h GLY 24 CO -0.28 -0.05 0.60 -1.33 0.00 0.00 0.00 176.54 175.48 1mko h GLY 25 N -0.14 1.36 0.50 4.60 0.00 -1.62 -0.92 103.07 106.85 1mko h GLY 25 Ca -0.01 -0.46 -0.00 0.00 0.00 0.00 0.00 47.33 46.86 1mko h GLY 25 CO 0.02 0.38 -0.45 -2.09 0.00 0.00 0.00 176.54 174.41 1mko h GLU 26 N 1.16 -0.83 -0.23 4.80 4.81 -0.92 0.44 114.58 123.80 1mko h GLU 26 Ca 0.37 0.06 0.04 0.00 -0.13 0.00 0.00 59.36 59.70 1mko h GLU 26 Cb 0.02 0.19 -0.03 0.00 0.63 0.00 0.00 28.75 29.55 1mko h GLU 26 CO -0.13 -0.56 0.01 0.00 -0.73 0.00 0.00 179.01 177.61 1mko h ALA 27 N -0.57 0.21 0.25 2.92 0.00 -0.68 0.30 119.26 121.70 1mko h ALA 27 Ca -0.04 0.06 -0.01 0.00 0.00 0.00 0.00 54.91 54.92 1mko h ALA 27 Cb 0.78 0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.66 1mko h ALA 27 CO -0.10 -0.41 -0.12 1.25 0.00 0.00 0.00 179.25 179.87 1mko h LEU 28 N 0.09 -0.29 -0.24 0.00 6.46 -1.05 0.99 115.31 121.27 1mko h LEU 28 Ca 0.11 -0.00 0.03 0.00 -0.12 0.00 0.00 57.88 57.90 1mko h LEU 28 Cb 0.13 0.07 -0.03 0.00 -0.73 0.00 0.00 40.66 40.10 1mko h LEU 28 CO -0.17 -0.19 0.05 1.23 -0.62 0.00 0.00 178.44 178.74 1mko h GLY 29 N -0.36 0.27 1.08 3.75 0.00 -0.02 -1.68 103.07 106.12 1mko h GLY 29 Ca -0.03 -0.02 -0.01 0.00 0.00 0.00 0.00 47.33 47.26 1mko h GLY 29 CO 0.06 -0.01 0.49 3.21 0.00 0.00 0.00 176.54 180.29 1mko h ARG 30 N 0.14 1.21 -0.62 4.80 3.08 -0.25 -1.27 114.38 121.47 1mko h ARG 30 Ca 0.11 -0.13 0.07 0.00 0.07 0.00 0.00 59.98 60.10 1mko h ARG 30 Cb 0.11 -0.24 -0.06 0.00 0.08 0.00 0.00 29.97 29.86 1mko h ARG 30 CO -0.15 0.87 0.30 1.25 -1.07 0.00 0.00 179.97 181.17 1mko h LEU 31 N 1.22 0.39 -1.00 3.04 5.85 0.04 0.23 115.31 125.07 1mko h LEU 31 Ca 0.31 0.05 -0.05 0.00 0.84 0.00 0.00 57.88 59.03 1mko h LEU 31 Cb 0.00 -0.01 -0.02 0.00 0.37 0.00 0.00 40.66 41.00 1mko h LEU 31 CO -0.05 0.24 0.11 -0.07 -0.34 0.00 0.00 178.44 178.34 1mko h LEU 32 N 0.54 0.79 -0.15 2.25 3.38 -0.99 -0.65 115.31 120.47 1mko h LEU 32 Ca 0.29 -0.15 -0.16 0.00 0.09 0.00 0.00 57.88 57.95 1mko h LEU 32 Cb 0.27 -0.21 0.01 0.00 0.09 0.00 0.00 40.66 40.82 1mko h LEU 32 CO -0.23 0.78 -0.55 0.58 0.09 0.00 0.00 178.44 179.11 1mko h VAL 33 N 0.81 1.33 0.06 1.22 2.07 -0.67 -3.25 116.25 117.81 1mko h VAL 33 Ca 0.17 -1.81 -0.24 0.00 0.82 0.00 0.00 66.70 65.65 1mko h VAL 33 Cb 0.32 2.04 -0.01 0.00 -1.52 0.00 0.00 31.29 32.12 1mko h VAL 33 CO 0.00 0.56 -1.06 0.58 0.02 0.00 0.00 177.57 177.67 1mko h VAL 34 N 0.29 1.52 -3.03 2.57 2.07 -0.82 -3.37 116.25 115.49 1mko h VAL 34 Ca -0.03 -2.90 -0.62 0.00 0.82 0.00 0.00 66.70 63.98 1mko h VAL 34 Cb 1.18 2.72 -0.41 0.00 -1.52 0.00 0.00 31.29 33.26 1mko h VAL 34 CO 0.12 0.84 -0.68 -0.31 0.02 0.00 0.00 177.57 177.56 1mko s TYR 35 N -2.91 2.78 0.58 1.57 2.02 -0.27 -5.01 117.35 116.12 1mko s TYR 35 Ca -0.03 -2.96 0.36 0.00 -0.37 0.00 0.00 57.07 54.07 1mko s TYR 35 Cb 0.09 -2.30 1.98 0.00 -0.40 0.00 0.00 41.96 41.32 1mko s TYR 35 CO 0.86 -0.68 2.11 -1.00 -1.57 0.00 0.00 175.55 175.26 1mko h PRO 36 N 5.97 0.00 0.00 -1.71 0.13 -1.73 -1.84 132.00 132.81 1mko h PRO 36 Ca 0.08 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 65.19 1mko h PRO 36 Cb 0.84 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.97 1mko h PRO 36 CO 0.61 0.00 -0.10 0.11 -0.23 0.00 0.00 178.00 178.39 1mko h TRP 37 N 0.00 0.00 -0.24 1.56 0.09 -1.93 -1.73 115.95 113.70 1mko h TRP 37 Ca 0.00 0.00 0.06 0.00 0.09 0.00 0.00 58.89 59.04 1mko h TRP 37 Cb 0.28 0.00 -0.01 0.00 0.08 0.00 0.00 29.16 29.51 1mko h TRP 37 CO 0.00 0.10 0.17 1.79 0.09 0.00 0.00 178.44 180.59 1mko h THR 38 N 0.00 0.91 -0.98 0.12 1.35 -1.66 -1.62 112.91 111.03 1mko h THR 38 Ca -0.00 -0.02 0.24 0.00 -0.55 0.00 0.00 66.41 66.08 1mko h THR 38 Cb 0.22 0.85 -0.08 0.00 -1.73 0.00 0.00 68.15 67.41 1mko h THR 38 CO 0.01 0.01 0.64 1.56 -0.25 0.00 0.00 175.52 177.50 1mko h GLN 39 N 0.06 0.37 -0.39 4.72 4.20 -1.51 0.48 115.11 123.04 1mko h GLN 39 Ca 0.11 -0.02 0.11 0.00 0.06 0.00 0.00 58.65 58.91 1mko h GLN 39 Cb 0.37 -0.08 -0.02 0.00 0.30 0.00 0.00 27.48 28.05 1mko h GLN 39 CO -0.01 0.25 0.38 -0.09 -0.67 0.00 0.00 178.83 178.69 1mko h ARG 40 N 0.38 0.00 0.00 1.46 2.43 -1.48 0.41 114.38 117.58 1mko h ARG 40 Ca 0.53 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.70 1mko h ARG 40 Cb 1.37 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.92 1mko h ARG 40 CO -0.22 0.00 0.00 0.74 -1.51 0.00 0.00 179.97 178.98 1mko h PHE 41 N 0.00 0.00 -0.15 2.20 -1.00 -1.09 -3.33 116.94 113.56 1mko h PHE 41 Ca 0.19 0.00 -0.18 0.00 2.81 0.00 0.00 57.97 60.79 1mko h PHE 41 Cb 0.94 0.00 -0.28 0.00 3.61 0.00 0.00 35.95 40.22 1mko h PHE 41 CO 0.00 0.00 -0.86 1.19 -1.61 0.00 0.00 178.31 177.03 1mko n PHE 42 N -2.36 0.51 0.29 -0.55 3.72 0.11 -4.82 117.46 114.35 1mko n PHE 42 Ca 0.05 -1.26 0.14 0.00 -0.05 0.00 0.00 57.45 56.32 1mko n PHE 42 Cb 0.40 -0.21 0.85 0.00 -0.94 0.00 0.00 39.48 39.58 1mko n PHE 42 CO 0.00 0.00 0.00 0.93 -0.05 0.00 0.00 176.76 177.64 1mko h GLU 43 N 1.39 0.00 0.00 -1.08 5.08 -1.60 0.10 114.58 118.46 1mko h GLU 43 Ca -0.08 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.28 1mko h GLU 43 Cb 1.49 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.74 1mko h GLU 43 CO 0.16 0.02 0.00 -1.13 -1.00 0.00 0.00 179.01 177.06 1mko n SER 44 N -3.91 0.00 0.00 1.42 3.41 -1.26 -3.18 113.62 110.10 1mko n SER 44 Ca -0.03 0.26 0.11 0.00 -0.26 0.00 0.00 58.87 58.95 1mko n SER 44 Cb 0.11 -0.40 0.63 0.00 -0.26 0.00 0.00 64.21 64.29 1mko n SER 44 CO 0.00 0.00 0.00 0.49 -0.16 0.00 0.00 175.04 175.37 1mko n PHE 45 N -1.40 0.00 -2.02 7.33 3.01 0.02 -5.01 117.46 119.40 1mko n PHE 45 Ca 0.07 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.53 1mko n PHE 45 Cb 0.18 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 39.65 1mko n PHE 45 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1mko n GLY 46 N 0.76 0.71 3.59 1.37 0.00 -1.19 -4.52 105.19 105.91 1mko n GLY 46 Ca 0.16 -1.27 -0.41 0.00 0.00 0.00 0.00 46.02 44.49 1mko n GLY 46 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1mko s ASP 47 N -4.00 5.25 -0.08 1.61 2.15 -1.26 -4.75 116.67 115.58 1mko s ASP 47 Ca 0.00 1.63 0.12 0.00 0.43 0.00 0.00 52.55 54.73 1mko s ASP 47 Cb 0.00 -2.51 0.21 0.00 -0.30 0.00 0.00 42.92 40.32 1mko s ASP 47 CO 0.00 -2.16 1.10 0.18 -0.17 0.00 0.00 175.17 174.12 1mko n LEU 48 N 12.59 1.45 -0.27 -1.34 4.77 -1.26 -4.05 117.00 128.89 1mko n LEU 48 Ca 0.31 -2.35 0.02 0.00 -0.03 0.00 0.00 56.01 53.96 1mko n LEU 48 Cb 0.47 -0.26 0.24 0.00 -2.33 0.00 0.00 43.42 41.54 1mko n LEU 48 CO 0.67 0.60 1.25 0.77 -1.33 0.00 0.00 177.39 179.35 1mko h SER 49 N 0.16 0.90 -5.36 -1.43 4.64 -1.92 -3.44 113.55 107.10 1mko h SER 49 Ca -0.02 -0.01 -0.48 0.00 -0.47 0.00 0.00 61.79 60.81 1mko h SER 49 Cb 1.20 -0.21 -0.13 0.00 -0.31 0.00 0.00 62.40 62.95 1mko h SER 49 CO 0.01 0.62 -0.50 0.42 -0.87 0.00 0.00 176.83 176.51 1mko s THR 50 N -5.89 0.10 0.21 2.95 -4.23 -1.26 -5.00 115.64 102.53 1mko s THR 50 Ca -0.11 -2.00 -0.08 0.00 -1.18 0.00 0.00 61.69 58.32 1mko s THR 50 Cb 0.19 -2.46 0.16 0.00 1.34 0.00 0.00 72.50 71.73 1mko s THR 50 CO 0.79 0.00 1.80 -0.65 -0.54 0.00 0.00 174.62 176.02 1mko h PRO 51 N 2.08 1.18 -0.21 3.99 0.11 -1.99 -1.36 132.00 135.79 1mko h PRO 51 Ca -0.27 -0.19 -0.10 0.00 0.11 0.00 0.00 66.00 65.55 1mko h PRO 51 Cb 1.24 -0.20 -0.00 0.00 0.11 0.00 0.00 31.00 32.14 1mko h PRO 51 CO 0.40 0.93 -0.25 -0.44 -0.21 0.00 0.00 178.00 178.44 1mko h ASP 52 N 1.16 0.59 -0.51 -2.05 3.32 -1.98 -0.93 116.42 116.02 1mko h ASP 52 Ca 0.27 -0.49 0.09 0.00 0.02 0.00 0.00 57.03 56.92 1mko h ASP 52 Cb 0.16 -0.17 -0.07 0.00 0.22 0.00 0.00 39.33 39.47 1mko h ASP 52 CO -0.03 0.96 0.09 0.00 -1.72 0.00 0.00 179.24 178.55 1mko h ALA 53 N 0.64 0.57 -0.16 3.45 0.00 -1.84 -0.72 119.26 121.20 1mko h ALA 53 Ca 0.03 0.11 0.00 0.00 0.00 0.00 0.00 54.91 55.05 1mko h ALA 53 Cb 0.81 0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.74 1mko h ALA 53 CO 0.06 -0.31 0.10 0.28 0.00 0.00 0.00 179.25 179.37 1mko h VAL 54 N 0.23 1.03 -0.04 0.00 2.07 -1.06 0.12 116.25 118.60 1mko h VAL 54 Ca 0.26 -0.07 -0.07 0.00 0.82 0.00 0.00 66.70 67.64 1mko h VAL 54 Cb 0.35 0.80 -0.01 0.00 -1.52 0.00 0.00 31.29 30.92 1mko h VAL 54 CO -0.34 0.04 -0.30 0.24 0.02 0.00 0.00 177.57 177.23 1mko h MET 55 N 0.21 0.07 -0.01 1.57 2.07 -0.70 -2.89 114.93 115.24 1mko h MET 55 Ca 0.06 -0.02 0.00 0.00 -2.07 0.00 0.00 59.70 57.67 1mko h MET 55 Cb -0.01 -0.01 0.00 0.00 -1.87 0.00 0.00 31.60 29.71 1mko h MET 55 CO -0.02 0.36 -0.44 0.41 1.07 0.00 0.00 176.91 178.29 1mko n GLY 56 N -0.61 -0.32 3.68 8.32 0.00 -0.32 -4.92 105.19 111.03 1mko n GLY 56 Ca -0.02 -0.55 -0.45 0.00 0.00 0.00 0.00 46.02 45.00 1mko n GLY 56 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1mko n ASN 57 N -0.41 3.59 0.05 1.61 2.85 0.41 -4.90 115.26 118.47 1mko n ASN 57 Ca 0.10 1.00 -0.07 0.00 -0.11 0.00 0.00 54.58 55.50 1mko n ASN 57 Cb 0.41 -1.45 0.10 0.00 1.24 0.00 0.00 39.78 40.08 1mko n ASN 57 CO 0.00 0.00 0.00 -0.65 -2.11 0.00 0.00 177.26 174.50 1mko h PRO 58 N 8.20 0.37 0.00 1.20 0.11 -1.90 -2.20 132.00 137.79 1mko h PRO 58 Ca -0.47 -0.24 -0.08 0.00 0.11 0.00 0.00 66.00 65.32 1mko h PRO 58 Cb 1.25 0.03 -0.01 0.00 0.11 0.00 0.00 31.00 32.38 1mko h PRO 58 CO 0.93 0.84 -0.39 0.87 -0.21 0.00 0.00 178.00 180.04 1mko h LYS 59 N 0.28 0.00 -0.14 1.05 1.57 -1.91 -1.96 116.57 115.45 1mko h LYS 59 Ca -0.00 0.00 -0.19 0.00 -1.87 0.00 0.00 60.65 58.59 1mko h LYS 59 Cb 1.09 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.40 1mko h LYS 59 CO 0.10 0.39 -0.70 0.28 -0.57 0.00 0.00 179.45 178.95 1mko h VAL 60 N 0.00 1.33 -0.36 0.50 2.07 -1.79 -2.44 116.25 115.55 1mko h VAL 60 Ca -0.00 -1.98 -0.16 0.00 0.82 0.00 0.00 66.70 65.37 1mko h VAL 60 Cb 0.90 1.96 -0.01 0.00 -1.52 0.00 0.00 31.29 32.62 1mko h VAL 60 CO 0.05 0.61 -0.42 0.11 0.02 0.00 0.00 177.57 177.95 1mko h LYS 61 N 0.42 0.91 -0.41 1.57 1.57 -1.03 -1.49 116.57 118.11 1mko h LYS 61 Ca -0.03 -0.50 -0.06 0.00 -1.87 0.00 0.00 60.65 58.19 1mko h LYS 61 Cb 1.28 0.03 -0.02 0.00 0.08 0.00 0.00 32.23 33.61 1mko h LYS 61 CO 0.13 1.15 0.02 0.00 -0.57 0.00 0.00 179.45 180.18 1mko h ALA 62 N 0.78 0.56 -0.32 3.86 0.00 -1.44 -1.81 119.26 120.88 1mko h ALA 62 Ca 0.05 -0.25 -0.08 0.00 0.00 0.00 0.00 54.91 54.63 1mko h ALA 62 Cb 1.01 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.63 1mko h ALA 62 CO 0.10 0.32 -0.12 1.25 0.00 0.00 0.00 179.25 180.80 1mko h HIS 63 N 0.56 0.60 -0.45 0.00 -0.00 -1.40 -1.76 115.15 112.70 1mko h HIS 63 Ca 0.12 -0.09 -0.03 0.00 -0.00 0.00 0.00 60.37 60.37 1mko h HIS 63 Cb 0.46 -0.16 -0.02 0.00 -0.00 0.00 0.00 27.41 27.68 1mko h HIS 63 CO 0.03 0.66 0.17 0.78 -0.00 0.00 0.00 177.93 179.57 1mko h GLY 64 N 0.94 0.69 1.40 5.26 0.00 -0.95 0.08 103.07 110.48 1mko h GLY 64 Ca 0.09 -0.33 -0.11 0.00 0.00 0.00 0.00 47.33 46.98 1mko h GLY 64 CO 0.03 0.32 -0.25 1.70 0.00 0.00 0.00 176.54 178.34 1mko h LYS 65 N 0.64 0.69 -0.71 4.80 3.64 -0.47 -1.25 116.57 123.91 1mko h LYS 65 Ca 0.15 -0.28 -0.06 0.00 -1.27 0.00 0.00 60.65 59.19 1mko h LYS 65 Cb 0.14 -0.03 -0.03 0.00 -0.41 0.00 0.00 32.23 31.90 1mko h LYS 65 CO -0.01 0.87 0.19 0.87 -2.27 0.00 0.00 179.45 179.10 1mko h LYS 66 N 0.60 1.12 -0.29 1.90 1.57 -0.65 -2.03 116.57 118.79 1mko h LYS 66 Ca 0.08 -0.26 -0.03 0.00 -1.87 0.00 0.00 60.65 58.57 1mko h LYS 66 Cb 0.74 -0.15 -0.01 0.00 0.08 0.00 0.00 32.23 32.88 1mko h LYS 66 CO 0.06 0.98 0.06 0.28 -0.57 0.00 0.00 179.45 180.25 1mko h VAL 67 N 1.07 1.23 -0.58 0.50 2.07 -0.69 -2.70 116.25 117.15 1mko h VAL 67 Ca 0.23 -0.77 0.09 0.00 0.82 0.00 0.00 66.70 67.07 1mko h VAL 67 Cb 0.35 1.17 -0.07 0.00 -1.52 0.00 0.00 31.29 31.22 1mko h VAL 67 CO -0.00 0.25 0.19 0.25 0.02 0.00 0.00 177.57 178.28 1mko h LEU 68 N 0.31 0.17 -0.06 2.57 7.12 -1.01 -2.21 115.31 122.18 1mko h LEU 68 Ca 0.09 0.08 0.02 0.00 0.13 0.00 0.00 57.88 58.20 1mko h LEU 68 Cb 0.32 0.07 -0.02 0.00 -0.53 0.00 0.00 40.66 40.51 1mko h LEU 68 CO 0.00 0.11 -0.05 1.23 -0.13 0.00 0.00 178.44 179.60 1mko h GLY 69 N 0.36 0.01 0.56 3.75 0.00 -1.20 0.34 103.07 106.88 1mko h GLY 69 Ca 0.29 0.06 0.09 0.00 0.00 0.00 0.00 47.33 47.78 1mko h GLY 69 CO -0.31 -0.06 0.55 0.00 0.00 0.00 0.00 176.54 176.72 1mko h ALA 70 N 0.99 1.30 -0.66 3.60 0.00 -1.23 0.35 119.26 123.62 1mko h ALA 70 Ca 0.04 0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.97 1mko h ALA 70 Cb 0.12 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 17.69 1mko h ALA 70 CO -0.10 0.20 0.42 0.74 0.00 0.00 0.00 179.25 180.51 1mko h PHE 71 N 0.92 0.84 -0.95 0.00 0.04 -0.69 -0.99 116.94 116.11 1mko h PHE 71 Ca 0.43 0.01 0.01 0.00 2.80 0.00 0.00 57.97 61.21 1mko h PHE 71 Cb 0.35 -0.28 -0.05 0.00 2.20 0.00 0.00 35.95 38.17 1mko h PHE 71 CO -0.03 0.55 0.62 0.77 -0.60 0.00 0.00 178.31 179.61 1mko h SER 72 N 0.89 1.10 0.33 2.17 0.02 0.32 -1.12 113.55 117.26 1mko h SER 72 Ca 0.24 -0.04 -0.07 0.00 -0.84 0.00 0.00 61.79 61.08 1mko h SER 72 Cb -0.07 -0.28 -0.01 0.00 0.14 0.00 0.00 62.40 62.19 1mko h SER 72 CO -0.05 0.81 -0.34 0.44 -1.14 0.00 0.00 176.83 176.55 1mko h ASP 73 N 1.29 0.02 -0.08 3.07 3.32 0.32 0.54 116.42 124.90 1mko h ASP 73 Ca 0.35 -0.01 -0.03 0.00 0.02 0.00 0.00 57.03 57.35 1mko h ASP 73 Cb -0.13 -0.01 -0.00 0.00 0.22 0.00 0.00 39.33 39.41 1mko h ASP 73 CO -0.07 0.37 -0.08 1.23 -1.72 0.00 0.00 179.24 178.96 1mko h GLY 74 N 1.04 0.22 1.98 2.75 0.00 -0.33 -2.98 103.07 105.76 1mko h GLY 74 Ca -0.00 -0.22 -0.00 0.00 0.00 0.00 0.00 47.33 47.10 1mko h GLY 74 CO 0.05 0.20 -0.00 -2.00 0.00 0.00 0.00 176.54 174.79 1mko h LEU 75 N -0.22 0.02 -1.42 3.11 5.85 -1.02 0.15 115.31 121.78 1mko h LEU 75 Ca 0.01 -0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.73 1mko h LEU 75 Cb 0.59 -0.01 -0.00 0.00 0.37 0.00 0.00 40.66 41.61 1mko h LEU 75 CO 0.02 0.03 -0.03 0.00 -0.34 0.00 0.00 178.44 178.12 1mko h ALA 76 N 1.97 1.01 -0.52 1.25 0.00 -0.74 -3.36 119.26 118.87 1mko h ALA 76 Ca 0.01 -0.03 -0.31 0.00 0.00 0.00 0.00 54.91 54.58 1mko h ALA 76 Cb 0.02 -0.01 -0.21 0.00 0.00 0.00 0.00 17.79 17.60 1mko h ALA 76 CO 0.00 0.04 -0.65 0.72 0.00 0.00 0.00 179.25 179.37 1mko n HIS 77 N -3.15 -2.38 0.27 0.00 8.25 -0.10 -4.98 115.22 113.14 1mko n HIS 77 Ca 0.00 -2.36 0.16 0.00 -0.26 0.00 0.00 57.72 55.26 1mko n HIS 77 Cb 0.32 1.08 0.77 0.00 1.12 0.00 0.00 29.99 33.28 1mko n HIS 77 CO 0.00 0.00 0.00 -0.07 0.64 0.00 0.00 176.34 176.91 1mko h LEU 78 N 3.60 0.00 -0.94 2.41 3.38 -1.34 -0.90 115.31 121.51 1mko h LEU 78 Ca -0.07 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.88 1mko h LEU 78 Cb 1.02 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.77 1mko h LEU 78 CO 0.31 0.00 -0.10 0.44 0.09 0.00 0.00 178.44 179.18 1mko h ASP 79 N 0.00 0.00 -1.27 -0.43 3.32 -1.92 -3.36 116.42 112.77 1mko h ASP 79 Ca 0.06 0.00 -0.45 0.00 0.02 0.00 0.00 57.03 56.65 1mko h ASP 79 Cb 0.84 0.00 -0.41 0.00 0.22 0.00 0.00 39.33 39.98 1mko h ASP 79 CO -0.00 0.10 -1.02 -0.46 -1.72 0.00 0.00 179.24 176.13 1mko n ASN 80 N -3.19 2.62 -0.30 6.45 2.04 -0.34 -4.87 115.26 117.67 1mko n ASN 80 Ca 0.01 -3.10 0.03 0.00 -0.44 0.00 0.00 54.58 51.08 1mko n ASN 80 Cb 0.42 -0.51 0.17 0.00 -2.53 0.00 0.00 39.78 37.33 1mko n ASN 80 CO 0.00 0.00 0.00 -0.07 -0.44 0.00 0.00 177.26 176.75 1mko h LEU 81 N 2.86 0.73 -0.14 -4.53 -0.00 -1.71 -0.63 115.31 111.87 1mko h LEU 81 Ca 0.05 0.04 0.05 0.00 -0.00 0.00 0.00 57.88 58.02 1mko h LEU 81 Cb 1.06 -0.10 -0.05 0.00 -0.00 0.00 0.00 40.66 41.57 1mko h LEU 81 CO 0.63 0.42 -0.18 0.50 -0.00 0.00 0.00 178.44 179.81 1mko h LYS 82 N 0.84 -0.21 0.72 1.13 3.64 -1.89 0.81 116.57 121.61 1mko h LYS 82 Ca 0.40 0.01 -0.03 0.00 -1.27 0.00 0.00 60.65 59.76 1mko h LYS 82 Cb 0.34 0.05 0.00 0.00 -0.41 0.00 0.00 32.23 32.21 1mko h LYS 82 CO -0.23 -0.14 -0.41 0.78 -2.27 0.00 0.00 179.45 177.17 1mko h GLY 83 N -0.22 -1.18 -0.37 5.01 0.00 -1.72 0.17 103.07 104.76 1mko h GLY 83 Ca 0.10 0.47 0.27 0.00 0.00 0.00 0.00 47.33 48.18 1mko h GLY 83 CO -0.27 -0.41 0.49 -0.84 0.00 0.00 0.00 176.54 175.51 1mko h THR 84 N -1.05 0.39 -0.02 4.70 2.02 -1.00 -1.55 112.91 116.40 1mko h THR 84 Ca -0.10 -0.13 0.00 0.00 0.77 0.00 0.00 66.41 66.95 1mko h THR 84 Cb 0.83 -0.03 0.00 0.00 -1.74 0.00 0.00 68.15 67.21 1mko h THR 84 CO 0.12 0.07 -0.13 0.49 0.37 0.00 0.00 175.52 176.44 1mko n PHE 85 N -5.04 0.00 -0.17 3.16 3.72 0.27 -4.63 117.46 114.76 1mko n PHE 85 Ca 0.27 0.00 -0.06 0.00 -0.05 0.00 0.00 57.45 57.61 1mko n PHE 85 Cb 0.82 -0.01 -0.00 0.00 -0.94 0.00 0.00 39.48 39.35 1mko n PHE 85 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1mko h ALA 86 N 4.37 -0.10 -0.15 4.37 0.00 0.42 0.46 119.26 128.62 1mko h ALA 86 Ca 0.00 0.14 -0.09 0.00 0.00 0.00 0.00 54.91 54.95 1mko h ALA 86 Cb 0.81 0.76 -0.01 0.00 0.00 0.00 0.00 17.79 19.34 1mko h ALA 86 CO 0.00 -0.70 -0.33 1.79 0.00 0.00 0.00 179.25 180.01 1mko h THR 87 N -0.20 1.28 -0.53 0.00 1.35 -1.82 -1.89 112.91 111.10 1mko h THR 87 Ca 0.21 -1.34 -0.03 0.00 -0.55 0.00 0.00 66.41 64.70 1mko h THR 87 Cb 0.54 1.53 -0.02 0.00 -1.73 0.00 0.00 68.15 68.47 1mko h THR 87 CO -0.63 0.41 0.23 -0.07 -0.25 0.00 0.00 175.52 175.21 1mko h LEU 88 N 0.25 0.72 -0.73 3.87 3.38 -1.34 -1.44 115.31 120.03 1mko h LEU 88 Ca 0.03 -0.16 -0.02 0.00 0.09 0.00 0.00 57.88 57.83 1mko h LEU 88 Cb 0.71 -0.19 -0.03 0.00 0.09 0.00 0.00 40.66 41.24 1mko h LEU 88 CO 0.05 0.68 0.39 -1.28 0.09 0.00 0.00 178.44 178.37 1mko h SER 89 N 0.72 0.92 0.20 -0.43 0.87 0.11 -1.38 113.55 114.56 1mko h SER 89 Ca 0.18 -0.10 0.01 0.00 -1.23 0.00 0.00 61.79 60.65 1mko h SER 89 Cb 0.17 -0.23 -0.03 0.00 -0.44 0.00 0.00 62.40 61.87 1mko h SER 89 CO -0.02 0.76 -0.26 -0.33 -0.53 0.00 0.00 176.83 176.45 1mko h GLU 90 N 1.01 -0.50 -0.22 2.24 5.08 -0.86 -1.26 114.58 120.06 1mko h GLU 90 Ca 0.26 0.03 0.02 0.00 -1.00 0.00 0.00 59.36 58.67 1mko h GLU 90 Cb 0.05 0.11 -0.02 0.00 0.50 0.00 0.00 28.75 29.39 1mko h GLU 90 CO -0.04 -0.33 0.09 1.25 -1.00 0.00 0.00 179.01 178.98 1mko h LEU 91 N -0.52 0.12 -0.95 1.33 5.85 -1.08 0.19 115.31 120.25 1mko h LEU 91 Ca 0.01 0.02 -0.08 0.00 0.84 0.00 0.00 57.88 58.66 1mko h LEU 91 Cb 0.50 -0.00 -0.02 0.00 0.37 0.00 0.00 40.66 41.52 1mko h LEU 91 CO -0.10 0.10 -0.14 0.45 -0.34 0.00 0.00 178.44 178.41 1mko h HIS 92 N 0.20 0.67 0.00 1.25 3.86 -1.13 0.53 115.15 120.52 1mko h HIS 92 Ca 0.09 -0.12 0.00 0.00 -1.16 0.00 0.00 60.37 59.19 1mko h HIS 92 Cb 0.05 -0.17 0.00 0.00 1.06 0.00 0.00 27.41 28.35 1mko h HIS 92 CO -0.11 0.72 -0.23 0.00 0.86 0.00 0.00 177.93 179.17 1mko h ASP 94 N -0.80 0.08 0.52 0.00 3.32 -0.76 -1.51 116.42 117.26 1mko h ASP 94 Ca 0.00 -0.46 -0.29 0.00 0.02 0.00 0.00 57.03 56.29 1mko h ASP 94 Cb 0.23 -0.02 0.01 0.00 0.22 0.00 0.00 39.33 39.77 1mko h ASP 94 CO 0.00 0.52 -1.36 0.50 -1.72 0.00 0.00 179.24 177.19 1mko h LYS 95 N -0.37 0.31 0.00 3.56 3.64 -1.32 -3.38 116.57 119.01 1mko h LYS 95 Ca 0.01 -0.54 0.00 0.00 -1.27 0.00 0.00 60.65 58.85 1mko h LYS 95 Cb 0.50 0.20 0.00 0.00 -0.41 0.00 0.00 32.23 32.52 1mko h LYS 95 CO 0.01 1.24 -0.97 1.28 -2.27 0.00 0.00 179.45 178.74 1mko n LEU 96 N -3.55 0.68 -3.76 5.20 4.77 0.09 -5.02 117.00 115.41 1mko n LEU 96 Ca -0.12 -0.42 -0.26 0.00 -0.03 0.00 0.00 56.01 55.18 1mko n LEU 96 Cb 1.04 0.00 0.02 0.00 -2.33 0.00 0.00 43.42 42.15 1mko n LEU 96 CO 0.54 0.17 -0.12 1.41 -1.33 0.00 0.00 177.39 178.06 1mko n HIS 97 N -1.52 -1.84 -3.25 -1.77 8.25 -0.51 -4.93 115.22 109.66 1mko n HIS 97 Ca 0.02 0.66 -0.40 0.00 -0.26 0.00 0.00 57.72 57.74 1mko n HIS 97 Cb 0.30 -3.80 -0.08 0.00 1.12 0.00 0.00 29.99 27.53 1mko n HIS 97 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 1mko s VAL 98 N -3.68 5.07 0.26 1.59 1.01 -0.49 -5.02 120.40 119.14 1mko s VAL 98 Ca 0.19 0.78 -0.31 0.00 0.00 0.00 0.00 61.98 62.65 1mko s VAL 98 Cb -0.07 -3.84 -0.11 0.00 0.00 0.00 0.00 36.38 32.36 1mko s VAL 98 CO 0.85 0.05 1.62 -0.62 0.00 0.00 0.00 175.10 177.00 1mko s ASP 99 N 1.59 6.39 0.62 3.32 2.15 -1.26 -4.78 116.67 124.70 1mko s ASP 99 Ca 0.20 2.90 0.33 0.00 0.43 0.00 0.00 52.55 56.42 1mko s ASP 99 Cb -0.16 -2.62 1.86 0.00 -0.30 0.00 0.00 42.92 41.70 1mko s ASP 99 CO 0.10 -0.92 2.15 1.55 -0.17 0.00 0.00 175.17 177.88 1mko h PRO 100 N 5.43 0.00 -0.46 4.34 0.13 -1.98 -1.70 132.00 137.76 1mko h PRO 100 Ca -0.46 0.00 0.08 0.00 -0.87 0.00 0.00 66.00 64.75 1mko h PRO 100 Cb 1.21 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.32 1mko h PRO 100 CO 0.84 0.00 0.32 1.49 -0.23 0.00 0.00 178.00 180.42 1mko h GLU 101 N 0.00 0.27 0.00 0.86 4.57 -2.00 -0.83 114.58 117.45 1mko h GLU 101 Ca 0.04 -0.02 -0.02 0.00 -1.18 0.00 0.00 59.36 58.19 1mko h GLU 101 Cb 0.36 -0.06 -0.00 0.00 -0.16 0.00 0.00 28.75 28.88 1mko h GLU 101 CO -0.00 0.18 -0.07 -0.91 -1.18 0.00 0.00 179.01 177.02 1mko h ASN 102 N 0.28 0.00 -0.07 1.04 2.35 -1.67 -2.01 115.58 115.50 1mko h ASN 102 Ca 0.21 0.00 -0.10 0.00 -0.55 0.00 0.00 56.30 55.86 1mko h ASN 102 Cb 0.48 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.83 1mko h ASN 102 CO -0.04 0.07 -0.28 -0.26 -1.65 0.00 0.00 177.43 175.27 1mko h PHE 103 N 0.00 0.59 -0.44 1.19 0.04 -1.33 0.51 116.94 117.50 1mko h PHE 103 Ca -0.00 -0.14 -0.14 0.00 2.80 0.00 0.00 57.97 60.49 1mko h PHE 103 Cb 0.17 -0.14 -0.01 0.00 2.20 0.00 0.00 35.95 38.17 1mko h PHE 103 CO 0.00 0.75 -0.27 -0.09 -0.60 0.00 0.00 178.31 178.10 1mko h ARG 104 N 0.46 0.97 -0.12 1.51 2.43 -1.40 -1.98 114.38 116.25 1mko h ARG 104 Ca 0.06 -0.45 -0.02 0.00 -0.81 0.00 0.00 59.98 58.76 1mko h ARG 104 Cb 0.72 -0.01 -0.00 0.00 -0.42 0.00 0.00 29.97 30.25 1mko h ARG 104 CO 0.06 1.12 -0.00 -0.07 -1.51 0.00 0.00 179.97 179.56 1mko h LEU 105 N 0.81 0.20 -0.94 3.80 3.38 -0.97 -0.99 115.31 120.61 1mko h LEU 105 Ca 0.09 -0.32 0.05 0.00 0.09 0.00 0.00 57.88 57.79 1mko h LEU 105 Cb 0.86 -0.05 -0.06 0.00 0.09 0.00 0.00 40.66 41.50 1mko h LEU 105 CO 0.08 0.47 0.60 0.25 0.09 0.00 0.00 178.44 179.93 1mko h LEU 106 N -0.07 0.98 -0.28 1.67 5.85 -0.92 0.14 115.31 122.68 1mko h LEU 106 Ca 0.03 0.00 0.02 0.00 0.84 0.00 0.00 57.88 58.77 1mko h LEU 106 Cb 0.37 -0.21 -0.02 0.00 0.37 0.00 0.00 40.66 41.17 1mko h LEU 106 CO 0.01 0.65 0.14 1.23 -0.34 0.00 0.00 178.44 180.13 1mko h GLY 107 N 1.14 0.38 1.94 3.75 0.00 -1.17 0.94 103.07 110.04 1mko h GLY 107 Ca 0.39 -0.10 -0.11 0.00 0.00 0.00 0.00 47.33 47.50 1mko h GLY 107 CO -0.15 0.09 -0.52 3.43 0.00 0.00 0.00 176.54 179.39 1mko h ASN 108 N 0.30 0.07 -0.21 0.19 -0.26 -0.61 -1.16 115.58 113.90 1mko h ASN 108 Ca 0.12 -0.03 -0.14 0.00 -0.56 0.00 0.00 56.30 55.69 1mko h ASN 108 Cb 0.03 -0.02 -0.01 0.00 -1.06 0.00 0.00 38.32 37.26 1mko h ASN 108 CO -0.08 0.57 -0.36 0.58 -1.06 0.00 0.00 177.43 177.09 1mko h VAL 109 N 0.05 1.28 -0.75 2.81 2.07 -0.36 -1.98 116.25 119.37 1mko h VAL 109 Ca -0.00 -1.52 -0.02 0.00 0.82 0.00 0.00 66.70 65.98 1mko h VAL 109 Cb 0.93 1.42 -0.03 0.00 -1.52 0.00 0.00 31.29 32.09 1mko h VAL 109 CO 0.07 0.49 0.37 0.25 0.02 0.00 0.00 177.57 178.78 1mko h LEU 110 N 0.61 0.97 -0.58 2.57 5.85 -0.05 -1.28 115.31 123.40 1mko h LEU 110 Ca 0.06 -0.13 0.03 0.00 0.84 0.00 0.00 57.88 58.68 1mko h LEU 110 Cb 0.89 -0.25 -0.04 0.00 0.37 0.00 0.00 40.66 41.64 1mko h LEU 110 CO 0.08 0.82 0.35 0.58 -0.34 0.00 0.00 178.44 179.93 1mko h VAL 111 N 1.05 1.06 -0.81 1.05 2.07 -0.98 -0.79 116.25 118.89 1mko h VAL 111 Ca 0.26 -0.24 -0.01 0.00 0.82 0.00 0.00 66.70 67.53 1mko h VAL 111 Cb 0.10 0.30 -0.04 0.00 -1.52 0.00 0.00 31.29 30.13 1mko h VAL 111 CO -0.03 0.13 0.48 0.00 0.02 0.00 0.00 177.57 178.16 1mko h VAL 113 N 1.12 1.26 -0.63 0.00 2.07 -0.33 0.13 116.25 119.87 1mko h VAL 113 Ca 0.29 -1.07 -0.04 0.00 0.82 0.00 0.00 66.70 66.70 1mko h VAL 113 Cb -0.03 0.74 -0.03 0.00 -1.52 0.00 0.00 31.29 30.45 1mko h VAL 113 CO -0.05 0.39 0.24 -0.07 0.02 0.00 0.00 177.57 178.11 1mko h LEU 114 N 0.96 0.88 -0.06 2.57 3.38 -0.79 -1.90 115.31 120.34 1mko h LEU 114 Ca 0.18 -0.18 -0.00 0.00 0.09 0.00 0.00 57.88 57.97 1mko h LEU 114 Cb 0.48 -0.23 -0.00 0.00 0.09 0.00 0.00 40.66 41.00 1mko h LEU 114 CO 0.02 0.81 0.02 0.00 0.09 0.00 0.00 178.44 179.39 1mko h ALA 115 N 1.10 0.08 -0.94 1.53 0.00 -1.15 0.53 119.26 120.41 1mko h ALA 115 Ca 0.21 -0.10 0.16 0.00 0.00 0.00 0.00 54.91 55.18 1mko h ALA 115 Cb 0.22 -0.02 -0.08 0.00 0.00 0.00 0.00 17.79 17.90 1mko h ALA 115 CO -0.02 -0.32 0.60 1.25 0.00 0.00 0.00 179.25 180.76 1mko h HIS 116 N -0.07 0.90 0.12 0.00 -0.00 -0.44 -2.03 115.15 113.63 1mko h HIS 116 Ca 0.02 0.03 -0.35 0.00 -0.00 0.00 0.00 60.37 60.07 1mko h HIS 116 Cb 0.18 -0.28 -0.02 0.00 -0.00 0.00 0.00 27.41 27.30 1mko h HIS 116 CO -0.01 0.30 -1.86 0.45 -0.00 0.00 0.00 177.93 176.81 1mko h HIS 117 N 0.73 0.45 -0.01 5.26 3.86 -1.00 -3.37 115.15 121.07 1mko h HIS 117 Ca 0.49 -0.33 0.00 0.00 -1.16 0.00 0.00 60.37 59.37 1mko h HIS 117 Cb 0.77 -0.02 0.00 0.00 1.06 0.00 0.00 27.41 29.22 1mko h HIS 117 CO -0.00 1.60 -0.07 1.19 0.86 0.00 0.00 177.93 181.51 1mko n PHE 118 N -3.43 0.00 -1.30 2.45 3.72 0.15 -5.02 117.46 114.03 1mko n PHE 118 Ca -0.27 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.13 1mko n PHE 118 Cb 1.05 -0.04 0.00 0.00 -0.94 0.00 0.00 39.48 39.56 1mko n PHE 118 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1mko n GLY 119 N 1.22 1.77 0.37 1.37 0.00 -0.77 -0.69 105.19 108.47 1mko n GLY 119 Ca 0.17 -0.29 0.12 0.00 0.00 0.00 0.00 46.02 46.02 1mko n GLY 119 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1mko h LYS 120 N 0.00 0.00 0.00 1.61 1.79 -1.95 0.45 116.57 118.46 1mko h LYS 120 Ca 0.00 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.47 1mko h LYS 120 Cb 0.00 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.65 1mko h LYS 120 CO 0.00 0.00 0.00 1.49 -1.08 0.00 0.00 179.45 179.86 1mko h GLU 121 N 0.00 0.00 -3.29 3.15 4.81 -1.29 -3.28 114.58 114.68 1mko h GLU 121 Ca 0.10 0.00 -0.75 0.00 -0.13 0.00 0.00 59.36 58.58 1mko h GLU 121 Cb 1.54 0.00 -0.14 0.00 0.63 0.00 0.00 28.75 30.78 1mko h GLU 121 CO -0.00 0.00 2.22 0.34 -0.73 0.00 0.00 179.01 180.84 1mko n PHE 122 N -3.00 2.85 -1.01 0.92 7.35 0.16 -4.96 117.46 119.77 1mko n PHE 122 Ca 0.02 -2.81 -0.31 0.00 -0.76 0.00 0.00 57.45 53.58 1mko n PHE 122 Cb 0.35 -1.96 0.13 0.00 0.35 0.00 0.00 39.48 38.35 1mko n PHE 122 CO 0.00 0.00 0.00 0.95 -0.76 0.00 0.00 176.76 176.95 1mko s THR 123 N 0.18 2.67 0.28 -2.13 -4.23 -1.24 -4.68 115.64 106.50 1mko s THR 123 Ca 0.44 0.22 0.01 0.00 -1.18 0.00 0.00 61.69 61.19 1mko s THR 123 Cb 0.12 -2.49 0.29 0.00 1.34 0.00 0.00 72.50 71.76 1mko s THR 123 CO -0.02 -0.28 1.66 -0.65 -0.54 0.00 0.00 174.62 174.79 1mko h PRO 124 N -1.42 0.25 -0.24 3.99 0.11 -1.94 0.14 132.00 132.90 1mko h PRO 124 Ca -0.44 -0.02 -0.12 0.00 0.11 0.00 0.00 66.00 65.54 1mko h PRO 124 Cb 1.25 -0.06 -0.01 0.00 0.11 0.00 0.00 31.00 32.29 1mko h PRO 124 CO 0.47 0.17 -0.36 -1.35 -0.21 0.00 0.00 178.00 176.71 1mko h PRO 125 N 0.26 0.53 -0.37 1.05 0.11 -1.99 0.34 132.00 131.93 1mko h PRO 125 Ca 0.53 -0.25 -0.09 0.00 0.11 0.00 0.00 66.00 66.30 1mko h PRO 125 Cb 1.02 -0.01 -0.01 0.00 0.11 0.00 0.00 31.00 32.12 1mko h PRO 125 CO -0.60 0.82 -0.12 0.28 -0.21 0.00 0.00 178.00 178.17 1mko h VAL 126 N 0.45 1.28 -0.55 3.15 2.07 -1.43 -1.48 116.25 119.74 1mko h VAL 126 Ca 0.05 -1.21 0.01 0.00 0.82 0.00 0.00 66.70 66.37 1mko h VAL 126 Cb 0.83 1.29 -0.03 0.00 -1.52 0.00 0.00 31.29 31.86 1mko h VAL 126 CO 0.07 0.40 0.35 -0.61 0.02 0.00 0.00 177.57 177.80 1mko h GLN 127 N 0.54 0.69 -0.55 1.57 4.15 -0.40 -0.24 115.11 120.87 1mko h GLN 127 Ca 0.09 -0.04 0.09 0.00 0.77 0.00 0.00 58.65 59.56 1mko h GLN 127 Cb 0.64 -0.15 -0.07 0.00 0.21 0.00 0.00 27.48 28.11 1mko h GLN 127 CO 0.04 0.45 0.17 0.00 -1.93 0.00 0.00 178.83 177.57 1mko h ALA 128 N 1.22 0.67 -0.54 3.38 0.00 0.02 0.46 119.26 124.47 1mko h ALA 128 Ca 0.21 0.09 -0.01 0.00 0.00 0.00 0.00 54.91 55.20 1mko h ALA 128 Cb -0.04 0.09 -0.03 0.00 0.00 0.00 0.00 17.79 17.81 1mko h ALA 128 CO -0.07 -0.24 0.29 0.00 0.00 0.00 0.00 179.25 179.23 1mko h ALA 129 N 1.40 0.70 -0.36 0.00 0.00 -0.41 -2.41 119.26 118.17 1mko h ALA 129 Ca 0.28 -0.10 -0.06 0.00 0.00 0.00 0.00 54.91 55.03 1mko h ALA 129 Cb 0.35 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.90 1mko h ALA 129 CO -0.31 0.23 -0.01 1.88 0.00 0.00 0.00 179.25 181.04 1mko h TYR 130 N 0.73 0.60 -0.71 0.00 0.05 -0.25 -2.53 116.97 114.86 1mko h TYR 130 Ca 0.19 -0.07 0.03 0.00 0.05 0.00 0.00 58.73 58.93 1mko h TYR 130 Cb 0.06 -0.17 -0.04 0.00 1.01 0.00 0.00 36.73 37.59 1mko h TYR 130 CO -0.01 0.59 0.47 1.96 -1.05 0.00 0.00 178.16 180.12 1mko h GLN 131 N 0.55 0.84 -0.13 4.88 1.08 -0.43 0.13 115.11 122.02 1mko h GLN 131 Ca 0.11 -0.05 -0.06 0.00 -1.45 0.00 0.00 58.65 57.20 1mko h GLN 131 Cb 0.37 -0.19 -0.00 0.00 -0.05 0.00 0.00 27.48 27.61 1mko h GLN 131 CO 0.01 0.55 -0.15 0.87 -0.95 0.00 0.00 178.83 179.17 1mko h LYS 132 N 0.86 0.34 0.45 1.46 1.57 -1.28 -0.30 116.57 119.67 1mko h LYS 132 Ca 0.28 -0.18 -0.01 0.00 -1.87 0.00 0.00 60.65 58.87 1mko h LYS 132 Cb 0.06 0.01 -0.02 0.00 0.08 0.00 0.00 32.23 32.35 1mko h LYS 132 CO -0.08 0.74 -0.46 0.28 -0.57 0.00 0.00 179.45 179.36 1mko h VAL 133 N -0.05 0.08 -0.57 0.50 2.07 -1.13 0.90 116.25 118.04 1mko h VAL 133 Ca 0.02 0.00 0.07 0.00 0.82 0.00 0.00 66.70 67.61 1mko h VAL 133 Cb 0.69 0.08 -0.03 0.00 -1.52 0.00 0.00 31.29 30.51 1mko h VAL 133 CO 0.04 0.00 0.38 0.58 0.02 0.00 0.00 177.57 178.59 1mko h VAL 134 N -0.93 0.96 -0.14 2.57 2.07 -0.79 0.33 116.25 120.33 1mko h VAL 134 Ca -0.05 -0.17 -0.07 0.00 0.82 0.00 0.00 66.70 67.23 1mko h VAL 134 Cb 0.82 0.42 -0.00 0.00 -1.52 0.00 0.00 31.29 31.01 1mko h VAL 134 CO -0.07 0.09 -0.19 0.00 0.02 0.00 0.00 177.57 177.42 1mko h ALA 135 N 1.70 0.21 -0.86 1.67 0.00 -0.67 -1.79 119.26 119.51 1mko h ALA 135 Ca 0.25 -0.35 -0.01 0.00 0.00 0.00 0.00 54.91 54.80 1mko h ALA 135 Cb 0.35 -0.04 -0.04 0.00 0.00 0.00 0.00 17.79 18.06 1mko h ALA 135 CO -0.07 0.13 0.52 0.78 0.00 0.00 0.00 179.25 180.61 1mko h GLY 136 N -0.02 1.25 0.74 0.00 0.00 -0.14 0.10 103.07 105.00 1mko h GLY 136 Ca 0.01 -0.52 -0.01 0.00 0.00 0.00 0.00 47.33 46.82 1mko h GLY 136 CO 0.04 0.50 -0.06 -2.08 0.00 0.00 0.00 176.54 174.95 1mko h VAL 137 N 1.19 1.01 -0.91 4.60 2.07 -0.92 -0.44 116.25 122.86 1mko h VAL 137 Ca 0.31 -0.57 0.13 0.00 0.82 0.00 0.00 66.70 67.39 1mko h VAL 137 Cb -0.05 1.37 -0.09 0.00 -1.52 0.00 0.00 31.29 31.01 1mko h VAL 137 CO -0.06 0.14 0.52 0.00 0.02 0.00 0.00 177.57 178.19 1mko h ALA 138 N 0.40 1.37 -0.60 1.67 0.00 -0.87 -1.50 119.26 119.73 1mko h ALA 138 Ca -0.02 0.05 -0.10 0.00 0.00 0.00 0.00 54.91 54.85 1mko h ALA 138 Cb 0.35 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.01 1mko h ALA 138 CO 0.03 0.05 -0.00 -0.91 0.00 0.00 0.00 179.25 178.42 1mko h ASN 139 N 0.79 1.04 0.82 0.00 2.35 -0.53 -2.11 115.58 117.94 1mko h ASN 139 Ca 0.47 -0.31 -0.03 0.00 -0.55 0.00 0.00 56.30 55.88 1mko h ASN 139 Cb 0.56 -0.28 -0.00 0.00 0.05 0.00 0.00 38.32 38.65 1mko h ASN 139 CO -0.31 1.09 -0.14 0.00 -1.65 0.00 0.00 177.43 176.42 1mko h ALA 140 N 0.98 1.06 0.01 -0.83 0.00 -0.32 -2.47 119.26 117.69 1mko h ALA 140 Ca 0.17 -0.13 -0.24 0.00 0.00 0.00 0.00 54.91 54.71 1mko h ALA 140 Cb 0.56 -0.02 -0.04 0.00 0.00 0.00 0.00 17.79 18.29 1mko h ALA 140 CO 0.03 0.18 -1.27 1.25 0.00 0.00 0.00 179.25 179.44 1mko h LEU 141 N 0.00 0.02 -0.28 0.00 5.85 -1.05 -3.26 115.31 116.59 1mko h LEU 141 Ca -0.00 -0.03 0.00 0.00 0.84 0.00 0.00 57.88 58.69 1mko h LEU 141 Cb 0.59 -0.01 0.00 0.00 0.37 0.00 0.00 40.66 41.62 1mko h LEU 141 CO 0.02 1.02 -0.06 0.00 -0.34 0.00 0.00 178.44 179.08 1mko n ALA 142 N -2.44 2.70 -0.05 1.25 0.00 -0.81 -4.31 120.51 116.86 1mko n ALA 142 Ca -0.07 -0.27 -0.08 0.00 0.00 0.00 0.00 53.44 53.02 1mko n ALA 142 Cb 0.98 -1.36 -0.01 0.00 0.00 0.00 0.00 19.45 19.06 1mko n ALA 142 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 1mko h HIS 143 N 0.69 -0.36 0.00 0.00 6.17 -1.49 -0.40 115.15 119.76 1mko h HIS 143 Ca 0.00 0.03 0.00 0.00 0.71 0.00 0.00 60.37 61.11 1mko h HIS 143 Cb 0.30 0.19 0.00 0.00 2.52 0.00 0.00 27.41 30.42 1mko h HIS 143 CO 0.00 -0.21 0.00 1.63 0.71 0.00 0.00 177.93 180.06 1mko n LYS 144 N -5.31 0.17 0.09 5.26 4.01 -1.26 -1.51 118.16 119.61 1mko n LYS 144 Ca -0.01 0.00 0.01 0.00 -0.51 0.00 0.00 58.31 57.80 1mko n LYS 144 Cb 0.22 -1.50 -0.03 0.00 -0.51 0.00 0.00 35.03 33.22 1mko n LYS 144 CO 0.00 0.00 0.00 1.88 -1.11 0.00 0.00 177.40 178.17 1mko h TYR 145 N 0.00 0.00 -0.03 2.13 0.05 -1.36 -3.47 116.97 114.29 1mko h TYR 145 Ca 0.00 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.78 1mko h TYR 145 Cb 0.00 0.00 0.00 0.00 1.01 0.00 0.00 36.73 37.74 1mko h TYR 145 CO 0.00 0.54 0.00 0.72 -1.05 0.00 0.00 178.16 178.37