#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2d5x n GLN 2 N 0.00 2.01 -3.92 5.55 3.00 -1.26 -4.83 117.38 117.92 2d5x n GLN 2 Ca 0.00 -1.26 -0.35 0.00 -0.01 0.00 0.00 57.00 55.37 2d5x n GLN 2 Cb 0.00 -2.27 -0.11 0.00 0.00 0.00 0.00 30.24 27.85 2d5x n GLN 2 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.06 175.89 2d5x s LEU 3 N 0.07 3.61 0.92 1.08 2.96 -1.26 -5.09 118.68 120.97 2d5x s LEU 3 Ca 0.44 -0.07 -0.12 0.00 -0.22 0.00 0.00 54.13 54.16 2d5x s LEU 3 Cb 0.15 -1.94 0.14 0.00 0.50 0.00 0.00 46.19 45.05 2d5x s LEU 3 CO -0.03 0.07 1.12 -0.94 -1.32 0.00 0.00 176.35 175.26 2d5x s SER 4 N 0.98 3.37 0.25 3.68 1.04 -1.26 -4.80 113.70 116.96 2d5x s SER 4 Ca 0.04 1.04 -0.05 0.00 0.48 0.00 0.00 55.95 57.45 2d5x s SER 4 Cb -0.14 -1.64 0.30 0.00 0.10 0.00 0.00 66.02 64.63 2d5x s SER 4 CO 0.03 -2.64 1.91 1.23 0.98 0.00 0.00 173.24 174.74 2d5x h GLY 5 N -1.56 1.41 1.52 7.32 0.00 -1.99 -0.46 103.07 109.31 2d5x h GLY 5 Ca -0.51 -0.49 -0.15 0.00 0.00 0.00 0.00 47.33 46.18 2d5x h GLY 5 CO 0.61 0.44 -0.51 1.05 0.00 0.00 0.00 176.54 178.13 2d5x h GLU 6 N 1.25 0.51 -0.18 4.80 4.11 -2.00 -1.93 114.58 121.15 2d5x h GLU 6 Ca 0.38 -0.30 -0.04 0.00 0.07 0.00 0.00 59.36 59.46 2d5x h GLU 6 Cb -0.04 0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.24 2d5x h GLU 6 CO -0.11 0.90 -0.06 0.93 0.07 0.00 0.00 179.01 180.74 2d5x h GLU 7 N 0.40 0.35 -0.55 1.06 5.08 -1.87 -2.65 114.58 116.41 2d5x h GLU 7 Ca 0.02 -0.14 0.10 0.00 -1.00 0.00 0.00 59.36 58.34 2d5x h GLU 7 Cb 1.03 -0.02 -0.08 0.00 0.50 0.00 0.00 28.75 30.18 2d5x h GLU 7 CO 0.09 0.63 0.09 -0.22 -1.00 0.00 0.00 179.01 178.60 2d5x h LYS 8 N 0.05 0.21 -0.87 2.33 3.64 -1.04 -0.23 116.57 120.67 2d5x h LYS 8 Ca 0.04 -0.01 0.01 0.00 -1.27 0.00 0.00 60.65 59.42 2d5x h LYS 8 Cb 0.51 -0.05 -0.04 0.00 -0.41 0.00 0.00 32.23 32.24 2d5x h LYS 8 CO 0.02 0.14 0.58 0.00 -2.27 0.00 0.00 179.45 177.92 2d5x h ALA 9 N 1.44 1.10 -0.56 5.00 0.00 -1.26 -0.57 119.26 124.42 2d5x h ALA 9 Ca 0.28 -0.06 -0.10 0.00 0.00 0.00 0.00 54.91 55.03 2d5x h ALA 9 Cb 0.41 -0.35 -0.02 0.00 0.00 0.00 0.00 17.79 17.83 2d5x h ALA 9 CO -0.38 0.51 -0.05 0.00 0.00 0.00 0.00 179.25 179.32 2d5x h ALA 10 N 1.32 0.85 -0.27 0.00 0.00 -0.95 -1.20 119.26 119.00 2d5x h ALA 10 Ca 0.32 -0.33 -0.01 0.00 0.00 0.00 0.00 54.91 54.89 2d5x h ALA 10 Cb -0.14 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.43 2d5x h ALA 10 CO -0.07 0.66 0.13 0.28 0.00 0.00 0.00 179.25 180.25 2d5x h VAL 11 N 0.91 1.15 -0.44 0.00 2.07 -0.55 -2.18 116.25 117.20 2d5x h VAL 11 Ca 0.15 -0.42 -0.12 0.00 0.82 0.00 0.00 66.70 67.13 2d5x h VAL 11 Cb 0.60 0.93 -0.01 0.00 -1.52 0.00 0.00 31.29 31.29 2d5x h VAL 11 CO 0.04 0.15 -0.21 -0.07 0.02 0.00 0.00 177.57 177.50 2d5x h LEU 12 N 0.30 0.90 -1.00 2.57 4.07 -1.03 -2.36 115.31 118.76 2d5x h LEU 12 Ca 0.09 -0.33 0.04 0.00 0.08 0.00 0.00 57.88 57.77 2d5x h LEU 12 Cb 0.12 -0.25 -0.06 0.00 1.08 0.00 0.00 40.66 41.55 2d5x h LEU 12 CO -0.01 1.08 0.65 0.00 -1.08 0.00 0.00 178.44 179.08 2d5x h ALA 13 N 0.99 1.34 -0.43 1.53 0.00 -1.10 -1.94 119.26 119.65 2d5x h ALA 13 Ca 0.11 -0.04 -0.07 0.00 0.00 0.00 0.00 54.91 54.91 2d5x h ALA 13 Cb 0.75 -0.35 -0.02 0.00 0.00 0.00 0.00 17.79 18.18 2d5x h ALA 13 CO 0.06 0.53 0.01 1.25 0.00 0.00 0.00 179.25 181.10 2d5x h LEU 14 N 1.25 0.74 -1.94 0.00 5.85 -1.15 -2.96 115.31 117.11 2d5x h LEU 14 Ca 0.40 -0.30 -0.01 0.00 0.84 0.00 0.00 57.88 58.81 2d5x h LEU 14 Cb 0.03 -0.20 -0.00 0.00 0.37 0.00 0.00 40.66 40.86 2d5x h LEU 14 CO -0.13 0.86 -0.06 -0.25 -0.34 0.00 0.00 178.44 178.51 2d5x h TRP 15 N 0.60 0.00 -0.04 1.25 2.91 -0.88 0.28 115.95 120.08 2d5x h TRP 15 Ca 0.12 0.00 0.01 0.00 1.13 0.00 0.00 58.89 60.15 2d5x h TRP 15 Cb 0.48 0.00 -0.00 0.00 -0.51 0.00 0.00 29.16 29.12 2d5x h TRP 15 CO 0.04 0.06 0.09 -0.44 -1.03 0.00 0.00 178.44 177.16 2d5x h ASP 16 N 0.00 0.00 -0.11 2.65 3.32 -1.19 -1.44 116.42 119.65 2d5x h ASP 16 Ca -0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 2d5x h ASP 16 Cb 0.12 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.67 2d5x h ASP 16 CO 0.01 0.00 0.00 0.29 -1.72 0.00 0.00 179.24 177.82 2d5x n LYS 17 N -3.35 1.98 -2.91 3.56 5.02 0.08 -4.94 118.16 117.60 2d5x n LYS 17 Ca -0.02 -1.84 -0.42 0.00 -2.02 0.00 0.00 58.31 54.01 2d5x n LYS 17 Cb 0.17 -1.41 -0.05 0.00 -0.02 0.00 0.00 35.03 33.72 2d5x n LYS 17 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 2d5x s VAL 18 N -1.62 4.77 -0.64 -0.18 1.01 -0.54 -4.99 120.40 118.20 2d5x s VAL 18 Ca 0.27 1.24 -0.28 0.00 0.00 0.00 0.00 61.98 63.21 2d5x s VAL 18 Cb 0.18 -4.17 0.03 0.00 0.00 0.00 0.00 36.38 32.42 2d5x s VAL 18 CO 0.26 -0.27 1.23 0.21 0.00 0.00 0.00 175.10 176.53 2d5x s ASN 19 N 1.62 6.34 0.49 3.32 3.84 -1.26 -4.89 114.94 124.39 2d5x s ASN 19 Ca 0.34 -0.09 0.23 0.00 0.21 0.00 0.00 52.86 53.55 2d5x s ASN 19 Cb -0.14 -2.56 1.27 0.00 -0.55 0.00 0.00 41.25 39.27 2d5x s ASN 19 CO 0.13 -1.61 2.03 -0.33 -2.79 0.00 0.00 177.10 174.52 2d5x h GLU 20 N 9.74 0.00 0.20 0.43 5.08 -1.94 0.05 114.58 128.14 2d5x h GLU 20 Ca -0.26 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.09 2d5x h GLU 20 Cb 1.05 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.31 2d5x h GLU 20 CO 1.22 0.16 -0.10 1.49 -1.00 0.00 0.00 179.01 180.78 2d5x h GLU 21 N 0.00 -0.26 -0.15 2.33 4.81 -1.90 -0.03 114.58 119.39 2d5x h GLU 21 Ca -0.00 0.02 -0.07 0.00 -0.13 0.00 0.00 59.36 59.18 2d5x h GLU 21 Cb 0.36 0.06 -0.00 0.00 0.63 0.00 0.00 28.75 29.79 2d5x h GLU 21 CO 0.02 0.13 -0.18 0.93 -0.73 0.00 0.00 179.01 179.18 2d5x h GLU 22 N -0.75 0.38 -0.47 1.92 4.39 -1.91 -1.18 114.58 116.96 2d5x h GLU 22 Ca -0.03 -0.21 -0.12 0.00 0.34 0.00 0.00 59.36 59.34 2d5x h GLU 22 Cb 0.51 0.01 -0.01 0.00 -0.10 0.00 0.00 28.75 29.15 2d5x h GLU 22 CO 0.05 0.78 -0.19 0.28 -1.16 0.00 0.00 179.01 178.77 2d5x h VAL 23 N 0.00 1.27 -0.04 3.13 2.07 -1.11 -2.57 116.25 119.00 2d5x h VAL 23 Ca 0.02 -1.34 -0.01 0.00 0.82 0.00 0.00 66.70 66.19 2d5x h VAL 23 Cb 0.73 1.10 -0.00 0.00 -1.52 0.00 0.00 31.29 31.60 2d5x h VAL 23 CO 0.04 0.46 -0.02 1.23 0.02 0.00 0.00 177.57 179.30 2d5x h GLY 24 N 0.92 0.09 0.59 2.17 0.00 -0.98 0.41 103.07 106.27 2d5x h GLY 24 Ca 0.11 -0.08 0.07 0.00 0.00 0.00 0.00 47.33 47.44 2d5x h GLY 24 CO 0.06 0.07 0.35 -1.33 0.00 0.00 0.00 176.54 175.69 2d5x h GLY 25 N -0.33 0.99 0.96 4.60 0.00 -1.27 -1.27 103.07 106.74 2d5x h GLY 25 Ca 0.01 -0.23 -0.09 0.00 0.00 0.00 0.00 47.33 47.02 2d5x h GLY 25 CO 0.01 0.11 -0.12 -2.09 0.00 0.00 0.00 176.54 174.45 2d5x h GLU 26 N 0.63 0.73 -0.26 4.80 4.81 -1.32 -0.94 114.58 123.03 2d5x h GLU 26 Ca 0.31 -0.29 -0.04 0.00 -0.13 0.00 0.00 59.36 59.21 2d5x h GLU 26 Cb 0.26 -0.03 -0.01 0.00 0.63 0.00 0.00 28.75 29.60 2d5x h GLU 26 CO -0.22 0.89 -0.01 0.00 -0.73 0.00 0.00 179.01 178.94 2d5x h ALA 27 N 0.82 0.35 -0.63 2.92 0.00 -0.62 -0.02 119.26 122.08 2d5x h ALA 27 Ca 0.09 -0.23 -0.07 0.00 0.00 0.00 0.00 54.91 54.71 2d5x h ALA 27 Cb 0.64 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 18.31 2d5x h ALA 27 CO 0.04 0.09 0.13 1.25 0.00 0.00 0.00 179.25 180.76 2d5x h LEU 28 N 0.23 0.97 -0.54 0.00 5.85 -1.24 -1.16 115.31 119.42 2d5x h LEU 28 Ca 0.07 -0.25 -0.04 0.00 0.84 0.00 0.00 57.88 58.50 2d5x h LEU 28 Cb 0.43 -0.26 -0.02 0.00 0.37 0.00 0.00 40.66 41.18 2d5x h LEU 28 CO 0.01 0.97 0.17 1.23 -0.34 0.00 0.00 178.44 180.48 2d5x h GLY 29 N 0.93 0.90 1.24 3.75 0.00 -1.03 -1.97 103.07 106.90 2d5x h GLY 29 Ca 0.19 -0.53 -0.01 0.00 0.00 0.00 0.00 47.33 46.98 2d5x h GLY 29 CO 0.01 0.50 0.39 3.21 0.00 0.00 0.00 176.54 180.64 2d5x h ARG 30 N 0.75 1.00 -0.51 4.80 3.08 -0.80 -1.13 114.38 121.57 2d5x h ARG 30 Ca 0.17 -0.11 0.05 0.00 0.07 0.00 0.00 59.98 60.16 2d5x h ARG 30 Cb 0.28 -0.20 -0.04 0.00 0.08 0.00 0.00 29.97 30.08 2d5x h ARG 30 CO -0.01 0.74 0.25 1.25 -1.07 0.00 0.00 179.97 181.13 2d5x h LEU 31 N 1.00 0.36 -0.98 3.04 5.85 -0.68 0.19 115.31 124.10 2d5x h LEU 31 Ca 0.25 0.03 -0.10 0.00 0.84 0.00 0.00 57.88 58.90 2d5x h LEU 31 Cb 0.03 -0.04 -0.01 0.00 0.37 0.00 0.00 40.66 41.01 2d5x h LEU 31 CO -0.04 0.25 -0.48 -0.07 -0.34 0.00 0.00 178.44 177.76 2d5x h LEU 32 N 0.50 0.00 0.06 2.25 3.38 -0.70 -0.81 115.31 119.98 2d5x h LEU 32 Ca 0.23 0.00 -0.14 0.00 0.09 0.00 0.00 57.88 58.06 2d5x h LEU 32 Cb 0.14 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.89 2d5x h LEU 32 CO -0.16 0.48 -0.68 0.58 0.09 0.00 0.00 178.44 178.75 2d5x h VAL 33 N 0.00 1.43 0.00 1.22 2.07 -0.87 -3.31 116.25 116.80 2d5x h VAL 33 Ca -0.00 -2.38 -0.19 0.00 0.82 0.00 0.00 66.70 64.95 2d5x h VAL 33 Cb 0.90 3.02 -0.01 0.00 -1.52 0.00 0.00 31.29 33.68 2d5x h VAL 33 CO 0.06 0.60 -0.87 0.58 0.02 0.00 0.00 177.57 177.97 2d5x h VAL 34 N -0.72 1.50 -2.37 2.57 2.07 -0.67 -3.37 116.25 115.27 2d5x h VAL 34 Ca -0.15 -2.64 -0.59 0.00 0.82 0.00 0.00 66.70 64.14 2d5x h VAL 34 Cb 1.35 2.47 -0.41 0.00 -1.52 0.00 0.00 31.29 33.18 2d5x h VAL 34 CO 0.01 0.77 -0.78 -1.22 0.02 0.00 0.00 177.57 176.37 2d5x n TYR 35 N -3.65 1.86 0.32 1.57 4.01 -0.31 -4.99 117.16 115.97 2d5x n TYR 35 Ca -0.03 -3.91 0.20 0.00 -0.16 0.00 0.00 57.90 53.99 2d5x n TYR 35 Cb 0.80 -0.40 1.08 0.00 -0.31 0.00 0.00 39.34 40.52 2d5x n TYR 35 CO 0.00 0.00 0.00 -1.35 -0.46 0.00 0.00 176.86 175.05 2d5x h PRO 36 N 4.62 0.00 -0.25 -0.72 0.11 -1.73 -0.49 132.00 133.54 2d5x h PRO 36 Ca 0.17 0.00 0.07 0.00 0.11 0.00 0.00 66.00 66.35 2d5x h PRO 36 Cb 0.77 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.87 2d5x h PRO 36 CO 0.65 0.01 0.24 0.11 -0.21 0.00 0.00 178.00 178.80 2d5x h TRP 37 N 0.00 0.00 0.00 0.65 0.09 -1.91 -1.17 115.95 113.61 2d5x h TRP 37 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 58.89 58.98 2d5x h TRP 37 Cb 0.07 0.00 0.00 0.00 0.08 0.00 0.00 29.16 29.31 2d5x h TRP 37 CO 0.00 0.00 0.00 1.79 0.09 0.00 0.00 178.44 180.32 2d5x h THR 38 N 0.00 0.00 0.00 0.12 1.35 -1.39 -1.81 112.91 111.18 2d5x h THR 38 Ca 0.12 -0.23 -0.00 0.00 -0.55 0.00 0.00 66.41 65.74 2d5x h THR 38 Cb 0.60 1.11 -0.00 0.00 -1.73 0.00 0.00 68.15 68.13 2d5x h THR 38 CO -0.00 0.00 -0.02 1.56 -0.25 0.00 0.00 175.52 176.81 2d5x h GLN 39 N 0.00 0.00 -1.03 4.72 4.20 -1.41 -2.73 115.11 118.85 2d5x h GLN 39 Ca 0.00 0.00 0.29 0.00 0.06 0.00 0.00 58.65 59.00 2d5x h GLN 39 Cb 0.26 0.00 -0.06 0.00 0.30 0.00 0.00 27.48 27.98 2d5x h GLN 39 CO 0.00 0.02 0.72 -0.09 -0.67 0.00 0.00 178.83 178.81 2d5x h ARG 40 N 0.00 0.13 -0.05 1.46 2.43 -1.52 -0.68 114.38 116.15 2d5x h ARG 40 Ca -0.00 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.16 2d5x h ARG 40 Cb 0.10 -0.03 0.00 0.00 -0.42 0.00 0.00 29.97 29.63 2d5x h ARG 40 CO 0.00 0.08 0.00 1.19 -1.51 0.00 0.00 179.97 179.74 2d5x n PHE 41 N -4.34 0.05 -2.22 2.20 3.72 -1.03 -4.30 117.46 111.53 2d5x n PHE 41 Ca 0.23 -0.02 0.02 0.00 -0.05 0.00 0.00 57.45 57.62 2d5x n PHE 41 Cb 1.02 0.00 0.08 0.00 -0.94 0.00 0.00 39.48 39.64 2d5x n PHE 41 CO 0.00 0.00 0.00 1.19 -0.05 0.00 0.00 176.76 177.90 2d5x n PHE 42 N 0.00 0.42 -0.18 1.38 3.72 -0.26 -4.85 117.46 117.69 2d5x n PHE 42 Ca 0.19 -1.19 0.10 0.00 -0.05 0.00 0.00 57.45 56.50 2d5x n PHE 42 Cb 0.30 -0.21 0.41 0.00 -0.94 0.00 0.00 39.48 39.04 2d5x n PHE 42 CO 0.00 0.00 0.00 -0.44 -0.05 0.00 0.00 176.76 176.27 2d5x h ASP 43 N 1.32 0.57 0.50 4.37 3.45 -1.75 -0.97 116.42 123.92 2d5x h ASP 43 Ca -0.09 0.02 0.00 0.00 0.43 0.00 0.00 57.03 57.38 2d5x h ASP 43 Cb 1.50 -0.10 0.00 0.00 -0.56 0.00 0.00 39.33 40.17 2d5x h ASP 43 CO 0.14 0.34 0.00 -1.54 -1.57 0.00 0.00 179.24 176.61 2d5x n SER 44 N -4.50 0.00 -0.11 6.45 3.41 -1.26 -3.09 113.62 114.51 2d5x n SER 44 Ca 0.12 0.39 0.15 0.00 -0.26 0.00 0.00 58.87 59.27 2d5x n SER 44 Cb 0.35 -0.45 0.68 0.00 -0.26 0.00 0.00 64.21 64.53 2d5x n SER 44 CO 0.00 0.00 0.00 0.49 -0.16 0.00 0.00 175.04 175.37 2d5x n PHE 45 N -1.45 0.00 -1.08 7.33 3.01 -0.37 -5.02 117.46 119.89 2d5x n PHE 45 Ca 0.05 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.51 2d5x n PHE 45 Cb 0.18 -0.14 0.00 0.00 -0.01 0.00 0.00 39.48 39.50 2d5x n PHE 45 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 2d5x n GLY 46 N 1.22 0.51 3.60 1.37 0.00 -1.18 -4.77 105.19 105.95 2d5x n GLY 46 Ca 0.17 -0.99 -0.43 0.00 0.00 0.00 0.00 46.02 44.76 2d5x n GLY 46 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2d5x s ASP 47 N -4.00 6.23 -0.10 1.61 -1.08 -1.26 -4.84 116.67 113.23 2d5x s ASP 47 Ca 0.00 1.07 0.14 0.00 -0.52 0.00 0.00 52.55 53.24 2d5x s ASP 47 Cb 0.00 -2.54 0.27 0.00 -1.46 0.00 0.00 42.92 39.19 2d5x s ASP 47 CO 0.00 -1.47 1.13 0.18 0.52 0.00 0.00 175.17 175.53 2d5x n LEU 48 N 9.13 1.68 -0.01 -1.34 4.77 -1.26 -4.17 117.00 125.80 2d5x n LEU 48 Ca 0.18 -2.61 0.14 0.00 -0.03 0.00 0.00 56.01 53.69 2d5x n LEU 48 Cb 0.47 -0.29 0.59 0.00 -2.33 0.00 0.00 43.42 41.86 2d5x n LEU 48 CO 0.69 0.72 0.90 -1.54 -1.33 0.00 0.00 177.39 176.83 2d5x n SER 49 N -0.77 0.10 -3.57 -1.43 3.41 -1.26 -4.74 113.62 105.36 2d5x n SER 49 Ca 0.11 0.22 -0.11 0.00 -0.26 0.00 0.00 58.87 58.84 2d5x n SER 49 Cb 0.73 -0.34 -0.03 0.00 -0.26 0.00 0.00 64.21 64.32 2d5x n SER 49 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 2d5x s ASN 50 N -2.90 -0.43 0.21 4.04 4.22 -1.26 -5.05 114.94 113.78 2d5x s ASN 50 Ca 0.17 -0.22 -0.09 0.00 -2.14 0.00 0.00 52.86 50.58 2d5x s ASN 50 Cb 0.19 0.61 0.26 0.00 1.28 0.00 0.00 41.25 43.59 2d5x s ASN 50 CO 0.54 -1.04 1.79 -0.65 -2.04 0.00 0.00 177.10 175.70 2d5x h PRO 51 N 2.06 0.60 -0.66 3.55 0.11 -1.98 -0.52 132.00 135.18 2d5x h PRO 51 Ca -0.30 -0.04 0.05 0.00 0.11 0.00 0.00 66.00 65.82 2d5x h PRO 51 Cb 1.29 -0.14 -0.05 0.00 0.11 0.00 0.00 31.00 32.21 2d5x h PRO 51 CO 0.36 0.40 0.37 0.78 -0.21 0.00 0.00 178.00 179.70 2d5x h GLY 52 N 0.62 0.95 1.07 -0.55 0.00 -1.99 -0.75 103.07 102.43 2d5x h GLY 52 Ca 0.31 -0.26 -0.09 0.00 0.00 0.00 0.00 47.33 47.28 2d5x h GLY 52 CO -0.21 0.18 0.03 0.00 0.00 0.00 0.00 176.54 176.53 2d5x h ALA 53 N 1.33 0.81 -0.01 3.60 0.00 -1.69 -1.74 119.26 121.55 2d5x h ALA 53 Ca 0.29 -0.30 -0.00 0.00 0.00 0.00 0.00 54.91 54.90 2d5x h ALA 53 Cb 0.15 -0.22 -0.00 0.00 0.00 0.00 0.00 17.79 17.71 2d5x h ALA 53 CO -0.16 0.63 -0.00 0.28 0.00 0.00 0.00 179.25 180.00 2d5x h VAL 54 N 0.95 1.28 -0.10 0.00 2.07 -0.74 -2.13 116.25 117.58 2d5x h VAL 54 Ca 0.17 -0.82 -0.06 0.00 0.82 0.00 0.00 66.70 66.81 2d5x h VAL 54 Cb 0.52 1.81 -0.01 0.00 -1.52 0.00 0.00 31.29 32.10 2d5x h VAL 54 CO 0.03 0.22 -0.21 0.24 0.02 0.00 0.00 177.57 177.86 2d5x h MET 55 N -0.32 0.17 -0.01 1.57 2.86 -1.15 -2.69 114.93 115.35 2d5x h MET 55 Ca 0.00 -0.05 0.00 0.00 -2.06 0.00 0.00 59.70 57.60 2d5x h MET 55 Cb 0.35 -0.02 0.00 0.00 0.06 0.00 0.00 31.60 31.99 2d5x h MET 55 CO 0.00 0.37 -0.14 0.41 1.06 0.00 0.00 176.91 178.61 2d5x n GLY 56 N -0.75 -0.24 3.66 8.32 0.00 -0.66 -4.84 105.19 110.67 2d5x n GLY 56 Ca -0.01 -0.45 -0.43 0.00 0.00 0.00 0.00 46.02 45.14 2d5x n GLY 56 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 2d5x s ASN 57 N -2.26 6.74 0.35 1.61 3.84 -0.81 -4.92 114.94 119.50 2d5x s ASN 57 Ca 0.30 1.92 0.05 0.00 0.21 0.00 0.00 52.86 55.34 2d5x s ASN 57 Cb 0.20 -2.54 0.70 0.00 -0.55 0.00 0.00 41.25 39.06 2d5x s ASN 57 CO 0.43 -0.90 1.96 -0.65 -2.79 0.00 0.00 177.10 175.14 2d5x h PRO 58 N 9.15 0.79 -0.27 0.43 0.11 -1.90 -2.23 132.00 138.08 2d5x h PRO 58 Ca -0.33 -0.05 -0.12 0.00 0.11 0.00 0.00 66.00 65.61 2d5x h PRO 58 Cb 1.14 -0.18 -0.01 0.00 0.11 0.00 0.00 31.00 32.06 2d5x h PRO 58 CO 0.97 0.52 -0.34 0.87 -0.21 0.00 0.00 178.00 179.81 2d5x h LYS 59 N 0.81 0.59 0.01 1.05 1.57 -1.91 -0.38 116.57 118.31 2d5x h LYS 59 Ca 0.31 -0.27 -0.00 0.00 -1.87 0.00 0.00 60.65 58.82 2d5x h LYS 59 Cb 0.21 -0.01 0.00 0.00 0.08 0.00 0.00 32.23 32.51 2d5x h LYS 59 CO -0.10 0.85 -0.00 0.28 -0.57 0.00 0.00 179.45 179.90 2d5x h VAL 60 N 0.50 1.05 -0.26 0.50 2.07 -1.74 -0.78 116.25 117.59 2d5x h VAL 60 Ca 0.05 -0.17 -0.01 0.00 0.82 0.00 0.00 66.70 67.40 2d5x h VAL 60 Cb 0.83 1.16 -0.01 0.00 -1.52 0.00 0.00 31.29 31.75 2d5x h VAL 60 CO 0.07 0.04 0.14 0.11 0.02 0.00 0.00 177.57 177.95 2d5x h LYS 61 N -0.08 0.36 -0.67 1.57 1.57 -1.26 0.96 116.57 119.02 2d5x h LYS 61 Ca -0.00 -0.04 0.01 0.00 -1.87 0.00 0.00 60.65 58.74 2d5x h LYS 61 Cb 0.08 -0.07 -0.03 0.00 0.08 0.00 0.00 32.23 32.28 2d5x h LYS 61 CO 0.00 0.32 0.44 0.00 -0.57 0.00 0.00 179.45 179.64 2d5x h ALA 62 N 1.02 0.84 -0.28 3.86 0.00 -1.04 -1.94 119.26 121.72 2d5x h ALA 62 Ca 0.09 -0.05 -0.17 0.00 0.00 0.00 0.00 54.91 54.78 2d5x h ALA 62 Cb 0.07 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 17.59 2d5x h ALA 62 CO -0.01 0.27 -0.50 1.25 0.00 0.00 0.00 179.25 180.25 2d5x h HIS 63 N 0.90 1.04 -0.98 0.00 -0.00 -0.93 -2.86 115.15 112.32 2d5x h HIS 63 Ca 0.24 -0.37 0.05 0.00 -0.00 0.00 0.00 60.37 60.30 2d5x h HIS 63 Cb -0.10 -0.20 -0.06 0.00 -0.00 0.00 0.00 27.41 27.05 2d5x h HIS 63 CO -0.03 1.18 0.64 0.78 -0.00 0.00 0.00 177.93 180.50 2d5x h GLY 64 N 0.60 1.45 0.88 5.26 0.00 -0.62 -0.99 103.07 109.65 2d5x h GLY 64 Ca 0.02 -0.47 0.02 0.00 0.00 0.00 0.00 47.33 46.90 2d5x h GLY 64 CO 0.11 0.36 0.34 1.70 0.00 0.00 0.00 176.54 179.05 2d5x h LYS 65 N 1.17 0.65 -0.51 4.80 3.64 -1.21 -0.41 116.57 124.70 2d5x h LYS 65 Ca 0.41 -0.04 -0.02 0.00 -1.27 0.00 0.00 60.65 59.73 2d5x h LYS 65 Cb 0.11 -0.15 -0.02 0.00 -0.41 0.00 0.00 32.23 31.76 2d5x h LYS 65 CO -0.15 0.43 0.26 0.87 -2.27 0.00 0.00 179.45 178.59 2d5x h LYS 66 N 0.67 0.72 -0.35 1.90 1.57 -1.11 0.52 116.57 120.50 2d5x h LYS 66 Ca 0.22 -0.10 0.05 0.00 -1.87 0.00 0.00 60.65 58.95 2d5x h LYS 66 Cb 0.01 -0.13 -0.04 0.00 0.08 0.00 0.00 32.23 32.14 2d5x h LYS 66 CO -0.09 0.59 0.08 0.28 -0.57 0.00 0.00 179.45 179.73 2d5x h VAL 67 N 0.68 0.84 -0.22 0.50 2.07 -0.92 -1.92 116.25 117.27 2d5x h VAL 67 Ca 0.18 -0.07 -0.09 0.00 0.82 0.00 0.00 66.70 67.54 2d5x h VAL 67 Cb 0.09 0.62 -0.01 0.00 -1.52 0.00 0.00 31.29 30.47 2d5x h VAL 67 CO -0.02 0.04 -0.25 -0.07 0.02 0.00 0.00 177.57 177.28 2d5x h LEU 68 N 0.20 0.42 -0.92 2.57 -0.00 -0.82 -1.02 115.31 115.74 2d5x h LEU 68 Ca 0.16 -0.14 0.01 0.00 -0.00 0.00 0.00 57.88 57.92 2d5x h LEU 68 Cb 0.18 -0.11 -0.05 0.00 -0.00 0.00 0.00 40.66 40.68 2d5x h LEU 68 CO -0.21 0.67 0.61 -0.74 -0.00 0.00 0.00 178.44 178.77 2d5x h HIS 69 N 0.37 1.15 -0.31 1.13 2.76 -0.50 -0.37 115.15 119.37 2d5x h HIS 69 Ca 0.06 0.03 -0.13 0.00 -2.20 0.00 0.00 60.37 58.12 2d5x h HIS 69 Cb 0.65 -0.39 -0.01 0.00 1.55 0.00 0.00 27.41 29.21 2d5x h HIS 69 CO 0.02 0.71 -0.35 0.66 -1.30 0.00 0.00 177.93 177.67 2d5x h SER 70 N 1.23 0.75 -0.80 3.26 4.64 -0.80 -1.48 113.55 120.35 2d5x h SER 70 Ca 0.34 -0.32 0.06 0.00 -0.47 0.00 0.00 61.79 61.41 2d5x h SER 70 Cb -0.12 -0.21 -0.06 0.00 -0.31 0.00 0.00 62.40 61.70 2d5x h SER 70 CO -0.08 1.03 0.48 -0.26 -0.87 0.00 0.00 176.83 177.13 2d5x h PHE 71 N 0.59 0.88 -0.94 4.77 0.04 -0.79 -1.43 116.94 120.06 2d5x h PHE 71 Ca 0.06 0.03 -0.01 0.00 2.80 0.00 0.00 57.97 60.85 2d5x h PHE 71 Cb 0.88 -0.28 -0.05 0.00 2.20 0.00 0.00 35.95 38.71 2d5x h PHE 71 CO 0.04 0.43 0.56 0.78 -0.60 0.00 0.00 178.31 179.53 2d5x h GLY 72 N 0.87 1.37 0.85 -1.45 0.00 -0.64 0.67 103.07 104.73 2d5x h GLY 72 Ca 0.35 -0.57 0.03 0.00 0.00 0.00 0.00 47.33 47.14 2d5x h GLY 72 CO -0.18 0.55 0.46 0.83 0.00 0.00 0.00 176.54 178.20 2d5x h GLU 73 N 1.30 0.86 -0.15 4.80 4.39 -0.68 -1.46 114.58 123.63 2d5x h GLU 73 Ca 0.34 -0.05 0.00 0.00 0.34 0.00 0.00 59.36 59.99 2d5x h GLU 73 Cb -0.05 -0.19 -0.01 0.00 -0.10 0.00 0.00 28.75 28.40 2d5x h GLU 73 CO -0.06 0.57 0.10 0.78 -1.16 0.00 0.00 179.01 179.23 2d5x h GLY 74 N 0.88 0.21 0.47 -3.84 0.00 -0.19 -1.48 103.07 99.13 2d5x h GLY 74 Ca 0.30 -0.08 0.16 0.00 0.00 0.00 0.00 47.33 47.71 2d5x h GLY 74 CO -0.12 0.08 0.57 -2.08 0.00 0.00 0.00 176.54 174.99 2d5x h VAL 75 N 0.19 0.78 -0.27 4.60 2.07 -0.54 -1.21 116.25 121.87 2d5x h VAL 75 Ca 0.05 -0.19 0.00 0.00 0.82 0.00 0.00 66.70 67.38 2d5x h VAL 75 Cb -0.01 0.16 0.00 0.00 -1.52 0.00 0.00 31.29 29.93 2d5x h VAL 75 CO -0.01 0.10 0.00 1.41 0.02 0.00 0.00 177.57 179.09 2d5x n HIS 76 N -4.54 0.34 -2.66 1.57 -0.00 -0.58 -4.11 115.22 105.23 2d5x n HIS 76 Ca 0.18 -0.17 -0.09 0.00 -0.00 0.00 0.00 57.72 57.63 2d5x n HIS 76 Cb 0.55 0.00 0.03 0.00 -0.00 0.00 0.00 29.99 30.57 2d5x n HIS 76 CO 0.00 0.00 0.00 0.72 -0.00 0.00 0.00 176.34 177.06 2d5x n HIS 77 N 0.85 1.40 0.32 4.41 8.25 -0.48 -4.96 115.22 125.01 2d5x n HIS 77 Ca 0.17 -2.69 0.19 0.00 -0.26 0.00 0.00 57.72 55.14 2d5x n HIS 77 Cb 0.45 -0.33 1.08 0.00 1.12 0.00 0.00 29.99 32.31 2d5x n HIS 77 CO 0.00 0.00 0.00 -0.07 0.64 0.00 0.00 176.34 176.91 2d5x h LEU 78 N 2.88 0.00 -0.91 2.41 3.38 -1.64 -0.13 115.31 121.28 2d5x h LEU 78 Ca -0.06 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.91 2d5x h LEU 78 Cb 1.18 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.93 2d5x h LEU 78 CO 0.48 0.00 -0.03 0.47 0.09 0.00 0.00 178.44 179.45 2d5x n ASP 79 N -3.41 1.45 -2.86 -0.43 8.00 -1.26 -4.24 116.55 113.79 2d5x n ASP 79 Ca -0.03 -1.43 -0.12 0.00 0.71 0.00 0.00 54.79 53.92 2d5x n ASP 79 Cb 0.09 0.01 0.04 0.00 -0.02 0.00 0.00 41.12 41.25 2d5x n ASP 79 CO 0.00 0.00 0.00 -3.20 -0.39 0.00 0.00 177.20 173.61 2d5x n ASN 80 N 0.09 -0.25 -0.02 -2.24 5.15 -0.08 -4.94 115.26 112.98 2d5x n ASN 80 Ca 0.18 -3.00 -0.03 0.00 -0.60 0.00 0.00 54.58 51.14 2d5x n ASN 80 Cb 0.35 0.30 0.22 0.00 -0.53 0.00 0.00 39.78 40.12 2d5x n ASN 80 CO 0.00 0.00 0.00 -0.07 1.40 0.00 0.00 177.26 178.59 2d5x h LEU 81 N 2.82 0.55 0.11 1.20 3.38 -1.70 -1.50 115.31 120.15 2d5x h LEU 81 Ca -0.07 -0.15 -0.00 0.00 0.09 0.00 0.00 57.88 57.76 2d5x h LEU 81 Cb 1.11 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 41.71 2d5x h LEU 81 CO 0.31 0.70 -0.08 0.50 0.09 0.00 0.00 178.44 179.96 2d5x h LYS 82 N 0.52 -0.19 -0.54 1.13 3.64 -1.90 -1.29 116.57 117.94 2d5x h LYS 82 Ca 0.09 0.01 -0.05 0.00 -1.27 0.00 0.00 60.65 59.43 2d5x h LYS 82 Cb 0.52 0.04 -0.02 0.00 -0.41 0.00 0.00 32.23 32.36 2d5x h LYS 82 CO 0.03 -0.12 0.14 0.78 -2.27 0.00 0.00 179.45 178.00 2d5x h GLY 83 N -0.19 0.94 0.71 5.01 0.00 -1.95 -1.96 103.07 105.63 2d5x h GLY 83 Ca -0.00 -0.58 0.07 0.00 0.00 0.00 0.00 47.33 46.81 2d5x h GLY 83 CO -0.01 0.54 0.64 -0.84 0.00 0.00 0.00 176.54 176.88 2d5x h THR 84 N 0.77 1.07 -0.47 4.70 2.02 -1.03 -2.87 112.91 117.09 2d5x h THR 84 Ca 0.17 -0.39 0.00 0.00 0.77 0.00 0.00 66.41 66.96 2d5x h THR 84 Cb 0.34 -0.18 0.00 0.00 -1.74 0.00 0.00 68.15 66.57 2d5x h THR 84 CO 0.00 0.21 0.00 0.49 0.37 0.00 0.00 175.52 176.59 2d5x n PHE 85 N -4.52 0.62 -0.01 3.16 3.72 -0.51 -4.64 117.46 115.29 2d5x n PHE 85 Ca 0.16 -0.34 -0.10 0.00 -0.05 0.00 0.00 57.45 57.11 2d5x n PHE 85 Cb 0.20 -0.00 -0.04 0.00 -0.94 0.00 0.00 39.48 38.69 2d5x n PHE 85 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 2d5x h ALA 86 N 4.02 0.10 -0.55 4.37 0.00 -1.12 0.43 119.26 126.50 2d5x h ALA 86 Ca 0.00 0.03 -0.02 0.00 0.00 0.00 0.00 54.91 54.93 2d5x h ALA 86 Cb 0.93 0.06 -0.03 0.00 0.00 0.00 0.00 17.79 18.76 2d5x h ALA 86 CO 0.00 -0.46 0.29 0.00 0.00 0.00 0.00 179.25 179.07 2d5x h ALA 87 N 1.10 0.71 0.00 0.00 0.00 -1.82 -2.19 119.26 117.06 2d5x h ALA 87 Ca 0.05 -0.11 -0.08 0.00 0.00 0.00 0.00 54.91 54.77 2d5x h ALA 87 Cb 0.07 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.63 2d5x h ALA 87 CO -0.10 0.25 -0.38 -0.07 0.00 0.00 0.00 179.25 178.96 2d5x h LEU 88 N 0.75 0.00 -0.51 0.00 3.38 -1.73 -1.85 115.31 115.34 2d5x h LEU 88 Ca 0.19 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 58.09 2d5x h LEU 88 Cb 0.08 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.81 2d5x h LEU 88 CO -0.03 0.38 0.05 -1.28 0.09 0.00 0.00 178.44 177.65 2d5x h SER 89 N 0.00 0.84 -0.49 -0.43 0.87 0.17 -0.10 113.55 114.41 2d5x h SER 89 Ca -0.00 -0.28 -0.01 0.00 -1.23 0.00 0.00 61.79 60.27 2d5x h SER 89 Cb 0.79 -0.22 -0.02 0.00 -0.44 0.00 0.00 62.40 62.51 2d5x h SER 89 CO 0.05 0.91 0.27 -0.08 -0.53 0.00 0.00 176.83 177.45 2d5x h GLU 90 N 0.74 0.69 0.40 2.24 4.81 -0.94 0.07 114.58 122.59 2d5x h GLU 90 Ca 0.15 -0.08 -0.01 0.00 -0.13 0.00 0.00 59.36 59.29 2d5x h GLU 90 Cb 0.45 -0.14 -0.01 0.00 0.63 0.00 0.00 28.75 29.69 2d5x h GLU 90 CO 0.02 0.54 -0.28 1.25 -0.73 0.00 0.00 179.01 179.81 2d5x h LEU 91 N 0.66 -0.70 -0.50 1.64 5.85 -1.25 -0.74 115.31 120.26 2d5x h LEU 91 Ca 0.17 0.05 -0.17 0.00 0.84 0.00 0.00 57.88 58.77 2d5x h LEU 91 Cb 0.05 0.22 -0.01 0.00 0.37 0.00 0.00 40.66 41.29 2d5x h LEU 91 CO -0.03 -0.42 -0.69 0.45 -0.34 0.00 0.00 178.44 177.41 2d5x h HIS 92 N -0.66 0.39 0.00 1.25 3.86 -0.90 0.03 115.15 119.12 2d5x h HIS 92 Ca -0.04 -0.17 0.00 0.00 -1.16 0.00 0.00 60.37 59.01 2d5x h HIS 92 Cb 0.56 -0.06 0.00 0.00 1.06 0.00 0.00 27.41 28.96 2d5x h HIS 92 CO -0.12 0.89 -0.41 0.00 0.86 0.00 0.00 177.93 179.15 2d5x h ASP 94 N -0.73 0.57 0.03 0.00 3.32 -1.27 -2.41 116.42 115.93 2d5x h ASP 94 Ca 0.00 -0.33 -0.35 0.00 0.02 0.00 0.00 57.03 56.37 2d5x h ASP 94 Cb 0.41 -0.17 -0.05 0.00 0.22 0.00 0.00 39.33 39.74 2d5x h ASP 94 CO 0.00 1.05 -1.96 0.29 -1.72 0.00 0.00 179.24 176.91 2d5x n LYS 95 N -3.92 0.63 0.02 3.56 4.76 -0.81 -4.63 118.16 117.76 2d5x n LYS 95 Ca -0.04 0.36 0.02 0.00 -2.87 0.00 0.00 58.31 55.78 2d5x n LYS 95 Cb 0.64 -1.64 -0.10 0.00 -1.84 0.00 0.00 35.03 32.10 2d5x n LYS 95 CO 0.00 0.00 0.00 1.28 -1.37 0.00 0.00 177.40 177.31 2d5x n LEU 96 N -3.99 0.60 -3.66 -0.35 4.77 -0.03 -5.00 117.00 109.34 2d5x n LEU 96 Ca -0.40 0.26 -0.22 0.00 -0.03 0.00 0.00 56.01 55.61 2d5x n LEU 96 Cb 0.87 0.10 0.05 0.00 -2.33 0.00 0.00 43.42 42.11 2d5x n LEU 96 CO 0.21 0.12 0.06 1.41 -1.33 0.00 0.00 177.39 177.86 2d5x n HIS 97 N -2.74 -2.20 -2.61 -1.77 8.25 -0.79 -4.97 115.22 108.39 2d5x n HIS 97 Ca -0.11 0.90 -0.42 0.00 -0.26 0.00 0.00 57.72 57.84 2d5x n HIS 97 Cb 0.80 -4.59 -0.03 0.00 1.12 0.00 0.00 29.99 27.28 2d5x n HIS 97 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 2d5x s VAL 98 N -3.47 4.55 0.23 1.59 1.01 -0.50 -5.00 120.40 118.81 2d5x s VAL 98 Ca 0.21 1.85 -0.30 0.00 0.00 0.00 0.00 61.98 63.74 2d5x s VAL 98 Cb -0.10 -4.19 -0.10 0.00 0.00 0.00 0.00 36.38 31.99 2d5x s VAL 98 CO 0.78 0.16 1.51 -0.62 0.00 0.00 0.00 175.10 176.93 2d5x s ASP 99 N 0.95 6.57 0.52 3.32 -1.08 -1.26 -4.79 116.67 120.90 2d5x s ASP 99 Ca 0.54 2.71 0.34 0.00 -0.52 0.00 0.00 52.55 55.63 2d5x s ASP 99 Cb -0.24 -2.62 1.70 0.00 -1.46 0.00 0.00 42.92 40.30 2d5x s ASP 99 CO 0.29 -0.78 2.04 1.55 0.52 0.00 0.00 175.17 178.79 2d5x h PRO 100 N 5.52 0.00 -0.50 4.34 0.13 -1.97 -1.71 132.00 137.81 2d5x h PRO 100 Ca -0.45 0.00 0.09 0.00 -0.87 0.00 0.00 66.00 64.77 2d5x h PRO 100 Cb 1.21 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.32 2d5x h PRO 100 CO 0.82 0.00 0.34 1.49 -0.23 0.00 0.00 178.00 180.42 2d5x h GLU 101 N 0.00 0.28 0.00 0.86 4.57 -1.99 -1.18 114.58 117.12 2d5x h GLU 101 Ca 0.00 -0.02 -0.04 0.00 -1.18 0.00 0.00 59.36 58.13 2d5x h GLU 101 Cb 0.20 -0.06 -0.01 0.00 -0.16 0.00 0.00 28.75 28.72 2d5x h GLU 101 CO 0.00 0.18 -0.17 -0.91 -1.18 0.00 0.00 179.01 176.93 2d5x h ASN 102 N 0.28 0.00 -0.56 1.04 2.35 -1.68 -2.02 115.58 115.00 2d5x h ASN 102 Ca 0.23 0.00 -0.08 0.00 -0.55 0.00 0.00 56.30 55.90 2d5x h ASN 102 Cb 0.53 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 38.87 2d5x h ASN 102 CO -0.05 0.17 0.06 -0.26 -1.65 0.00 0.00 177.43 175.70 2d5x h PHE 103 N 0.00 1.04 -0.40 1.19 0.04 -1.36 -1.03 116.94 116.42 2d5x h PHE 103 Ca -0.00 -0.15 -0.06 0.00 2.80 0.00 0.00 57.97 60.56 2d5x h PHE 103 Cb 0.68 -0.29 -0.01 0.00 2.20 0.00 0.00 35.95 38.53 2d5x h PHE 103 CO 0.00 0.91 0.03 0.00 -0.60 0.00 0.00 178.31 178.64 2d5x h ARG 104 N 0.91 0.69 -0.43 1.51 3.08 -1.43 -2.07 114.38 116.64 2d5x h ARG 104 Ca 0.18 -0.21 0.00 0.00 0.07 0.00 0.00 59.98 60.02 2d5x h ARG 104 Cb 0.46 -0.07 -0.02 0.00 0.08 0.00 0.00 29.97 30.41 2d5x h ARG 104 CO 0.02 0.76 0.27 -0.07 -1.07 0.00 0.00 179.97 179.88 2d5x h LEU 105 N 0.53 0.50 -0.71 3.04 3.38 -1.18 -1.08 115.31 119.78 2d5x h LEU 105 Ca 0.12 -0.04 -0.04 0.00 0.09 0.00 0.00 57.88 58.01 2d5x h LEU 105 Cb 0.43 -0.13 -0.03 0.00 0.09 0.00 0.00 40.66 41.02 2d5x h LEU 105 CO 0.02 0.39 0.29 0.25 0.09 0.00 0.00 178.44 179.47 2d5x h LEU 106 N 0.57 0.98 -0.76 1.67 5.85 -1.15 0.11 115.31 122.58 2d5x h LEU 106 Ca 0.15 -0.17 0.06 0.00 0.84 0.00 0.00 57.88 58.77 2d5x h LEU 106 Cb -0.03 -0.26 -0.06 0.00 0.37 0.00 0.00 40.66 40.68 2d5x h LEU 106 CO -0.03 0.89 0.45 1.23 -0.34 0.00 0.00 178.44 180.63 2d5x h GLY 107 N 1.02 1.14 1.44 3.75 0.00 -1.07 0.25 103.07 109.60 2d5x h GLY 107 Ca 0.24 -0.32 -0.18 0.00 0.00 0.00 0.00 47.33 47.07 2d5x h GLY 107 CO -0.02 0.20 -0.62 3.43 0.00 0.00 0.00 176.54 179.53 2d5x h ASN 108 N 0.82 0.65 -0.62 0.19 2.35 -0.66 -1.49 115.58 116.82 2d5x h ASN 108 Ca 0.34 -0.37 0.01 0.00 -0.55 0.00 0.00 56.30 55.72 2d5x h ASN 108 Cb 0.19 -0.19 -0.03 0.00 0.05 0.00 0.00 38.32 38.34 2d5x h ASN 108 CO -0.18 1.11 0.41 0.58 -1.65 0.00 0.00 177.43 177.69 2d5x h VAL 109 N 0.42 1.15 -0.69 2.81 2.07 -0.66 -1.09 116.25 120.26 2d5x h VAL 109 Ca -0.01 -0.28 0.03 0.00 0.82 0.00 0.00 66.70 67.26 2d5x h VAL 109 Cb 1.19 0.25 -0.04 0.00 -1.52 0.00 0.00 31.29 31.16 2d5x h VAL 109 CO 0.12 0.15 0.43 0.25 0.02 0.00 0.00 177.57 178.54 2d5x h LEU 110 N 0.83 0.70 -0.51 2.57 5.85 -0.61 0.12 115.31 124.25 2d5x h LEU 110 Ca 0.23 0.00 0.03 0.00 0.84 0.00 0.00 57.88 58.98 2d5x h LEU 110 Cb -0.08 -0.15 -0.04 0.00 0.37 0.00 0.00 40.66 40.76 2d5x h LEU 110 CO -0.06 0.48 0.30 0.58 -0.34 0.00 0.00 178.44 179.40 2d5x h VAL 111 N 0.84 1.03 -0.78 1.05 2.07 -0.74 0.34 116.25 120.06 2d5x h VAL 111 Ca 0.28 -0.20 -0.03 0.00 0.82 0.00 0.00 66.70 67.57 2d5x h VAL 111 Cb 0.04 0.39 -0.04 0.00 -1.52 0.00 0.00 31.29 30.16 2d5x h VAL 111 CO -0.12 0.11 0.35 0.58 0.02 0.00 0.00 177.57 178.52 2d5x h VAL 112 N 0.59 1.25 -0.49 2.57 2.07 -0.41 -0.13 116.25 121.70 2d5x h VAL 112 Ca 0.21 -0.73 -0.07 0.00 0.82 0.00 0.00 66.70 66.93 2d5x h VAL 112 Cb 0.05 0.27 -0.02 0.00 -1.52 0.00 0.00 31.29 30.07 2d5x h VAL 112 CO -0.11 0.31 0.02 0.58 0.02 0.00 0.00 177.57 178.39 2d5x h VAL 113 N 1.12 1.26 -0.57 2.57 2.07 -0.27 -0.92 116.25 121.51 2d5x h VAL 113 Ca 0.27 -1.03 0.01 0.00 0.82 0.00 0.00 66.70 66.77 2d5x h VAL 113 Cb 0.15 0.96 -0.03 0.00 -1.52 0.00 0.00 31.29 30.85 2d5x h VAL 113 CO -0.03 0.36 0.37 -0.07 0.02 0.00 0.00 177.57 178.22 2d5x h LEU 114 N 0.71 0.63 -0.77 2.57 3.38 -0.62 -0.39 115.31 120.83 2d5x h LEU 114 Ca 0.14 -0.01 0.07 0.00 0.09 0.00 0.00 57.88 58.17 2d5x h LEU 114 Cb 0.48 -0.15 -0.06 0.00 0.09 0.00 0.00 40.66 41.01 2d5x h LEU 114 CO 0.02 0.45 0.45 0.00 0.09 0.00 0.00 178.44 179.45 2d5x h ALA 115 N 1.22 1.06 -0.45 1.53 0.00 -0.79 0.17 119.26 122.01 2d5x h ALA 115 Ca 0.22 0.01 -0.12 0.00 0.00 0.00 0.00 54.91 55.02 2d5x h ALA 115 Cb -0.06 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.56 2d5x h ALA 115 CO -0.06 0.13 -0.20 -0.09 0.00 0.00 0.00 179.25 179.03 2d5x h ARG 116 N 0.80 0.90 0.04 0.00 2.43 -0.26 -0.44 114.38 117.85 2d5x h ARG 116 Ca 0.35 -0.36 -0.24 0.00 -0.81 0.00 0.00 59.98 58.92 2d5x h ARG 116 Cb 0.23 -0.04 0.00 0.00 -0.42 0.00 0.00 29.97 29.74 2d5x h ARG 116 CO -0.20 1.01 -1.04 0.45 -1.51 0.00 0.00 179.97 178.69 2d5x h HIS 117 N 0.78 0.55 0.00 2.20 3.86 -0.70 -3.35 115.15 118.50 2d5x h HIS 117 Ca 0.11 -0.33 0.00 0.00 -1.16 0.00 0.00 60.37 58.99 2d5x h HIS 117 Cb 0.75 -0.05 0.00 0.00 1.06 0.00 0.00 27.41 29.17 2d5x h HIS 117 CO 0.04 1.18 -0.96 1.19 0.86 0.00 0.00 177.93 180.24 2d5x n PHE 118 N -3.67 0.00 -0.06 2.45 3.72 0.01 -5.04 117.46 114.87 2d5x n PHE 118 Ca -0.07 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.33 2d5x n PHE 118 Cb 0.89 -0.06 0.00 0.00 -0.94 0.00 0.00 39.48 39.38 2d5x n PHE 118 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2d5x n GLY 119 N 1.42 3.13 0.29 1.37 0.00 -0.18 -1.95 105.19 109.26 2d5x n GLY 119 Ca 0.02 -0.05 0.19 0.00 0.00 0.00 0.00 46.02 46.18 2d5x n GLY 119 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2d5x h LYS 120 N 0.00 0.00 0.00 1.61 1.57 -1.96 0.08 116.57 117.86 2d5x h LYS 120 Ca 0.00 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.77 2d5x h LYS 120 Cb 0.00 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.31 2d5x h LYS 120 CO 0.00 0.00 -0.07 -0.44 -0.57 0.00 0.00 179.45 178.37 2d5x h ASP 121 N 0.00 0.00 -1.53 0.86 3.45 -1.79 -3.30 116.42 114.11 2d5x h ASP 121 Ca 0.00 0.00 -0.74 0.00 0.43 0.00 0.00 57.03 56.72 2d5x h ASP 121 Cb 0.28 0.00 -0.15 0.00 -0.56 0.00 0.00 39.33 38.90 2d5x h ASP 121 CO 0.00 0.07 1.87 0.33 -1.57 0.00 0.00 179.24 179.95 2d5x n PHE 122 N -3.30 3.95 -1.08 4.55 7.35 0.01 -4.95 117.46 123.99 2d5x n PHE 122 Ca -0.01 -3.04 -0.31 0.00 -0.76 0.00 0.00 57.45 53.34 2d5x n PHE 122 Cb 0.26 -2.16 0.13 0.00 0.35 0.00 0.00 39.48 38.07 2d5x n PHE 122 CO 0.00 0.00 0.00 0.95 -0.76 0.00 0.00 176.76 176.95 2d5x s THR 123 N 1.43 2.81 0.32 -2.13 -4.23 -1.24 -4.68 115.64 107.92 2d5x s THR 123 Ca 0.43 0.26 0.06 0.00 -1.18 0.00 0.00 61.69 61.26 2d5x s THR 123 Cb 0.05 -2.62 0.31 0.00 1.34 0.00 0.00 72.50 71.57 2d5x s THR 123 CO 0.00 -0.34 1.84 -0.65 -0.54 0.00 0.00 174.62 174.93 2d5x h PRO 124 N -1.48 0.78 -0.34 3.99 0.11 -1.94 0.13 132.00 133.26 2d5x h PRO 124 Ca -0.46 -0.05 -0.04 0.00 0.11 0.00 0.00 66.00 65.56 2d5x h PRO 124 Cb 1.26 -0.18 -0.01 0.00 0.11 0.00 0.00 31.00 32.18 2d5x h PRO 124 CO 0.50 0.52 0.05 0.93 -0.21 0.00 0.00 178.00 179.78 2d5x h GLU 125 N 0.81 0.57 -0.48 1.05 3.07 -1.99 -0.74 114.58 116.86 2d5x h GLU 125 Ca 0.50 -0.16 -0.10 0.00 -0.50 0.00 0.00 59.36 59.09 2d5x h GLU 125 Cb 0.70 -0.06 -0.02 0.00 -0.84 0.00 0.00 28.75 28.53 2d5x h GLU 125 CO -0.26 0.66 -0.10 1.25 -1.40 0.00 0.00 179.01 179.15 2d5x h LEU 126 N 0.40 0.92 -0.69 1.33 5.85 -1.78 -2.23 115.31 119.11 2d5x h LEU 126 Ca 0.10 -0.36 0.03 0.00 0.84 0.00 0.00 57.88 58.50 2d5x h LEU 126 Cb 0.37 -0.25 -0.04 0.00 0.37 0.00 0.00 40.66 41.10 2d5x h LEU 126 CO 0.01 1.07 0.43 -0.61 -0.34 0.00 0.00 178.44 178.99 2d5x h GLN 127 N 0.77 0.81 -1.00 1.25 4.15 -0.70 -1.00 115.11 119.39 2d5x h GLN 127 Ca 0.12 -0.05 0.07 0.00 0.77 0.00 0.00 58.65 59.57 2d5x h GLN 127 Cb 0.65 -0.18 -0.07 0.00 0.21 0.00 0.00 27.48 28.09 2d5x h GLN 127 CO 0.05 0.54 0.64 0.00 -1.93 0.00 0.00 178.83 178.13 2d5x h ALA 128 N 1.30 1.43 -0.43 3.38 0.00 -0.71 0.18 119.26 124.41 2d5x h ALA 128 Ca 0.28 -0.02 -0.10 0.00 0.00 0.00 0.00 54.91 55.08 2d5x h ALA 128 Cb 0.04 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.52 2d5x h ALA 128 CO -0.12 0.41 -0.12 0.77 0.00 0.00 0.00 179.25 180.20 2d5x h SER 129 N 1.14 0.84 0.34 0.00 0.02 -0.94 -2.63 113.55 112.32 2d5x h SER 129 Ca 0.44 -0.37 -0.05 0.00 -0.84 0.00 0.00 61.79 60.97 2d5x h SER 129 Cb 0.22 -0.23 -0.01 0.00 0.14 0.00 0.00 62.40 62.52 2d5x h SER 129 CO -0.18 1.02 -0.25 1.88 -1.14 0.00 0.00 176.83 178.15 2d5x h TYR 130 N 0.66 0.00 -0.66 3.45 0.05 -0.02 -1.17 116.97 119.29 2d5x h TYR 130 Ca 0.11 0.00 -0.06 0.00 0.05 0.00 0.00 58.73 58.83 2d5x h TYR 130 Cb 0.66 0.00 -0.03 0.00 1.01 0.00 0.00 36.73 38.37 2d5x h TYR 130 CO 0.05 0.25 0.17 1.96 -1.05 0.00 0.00 178.16 179.54 2d5x h GLN 131 N 0.00 1.05 -0.63 4.88 1.08 -0.42 0.65 115.11 121.73 2d5x h GLN 131 Ca -0.00 -0.25 -0.02 0.00 -1.45 0.00 0.00 58.65 56.93 2d5x h GLN 131 Cb 0.49 -0.14 -0.03 0.00 -0.05 0.00 0.00 27.48 27.75 2d5x h GLN 131 CO 0.03 0.94 0.31 0.87 -0.95 0.00 0.00 178.83 180.02 2d5x h LYS 132 N 0.98 0.91 0.29 1.46 1.57 -0.93 -1.64 116.57 119.22 2d5x h LYS 132 Ca 0.21 -0.13 -0.01 0.00 -1.87 0.00 0.00 60.65 58.84 2d5x h LYS 132 Cb 0.35 -0.16 0.00 0.00 0.08 0.00 0.00 32.23 32.50 2d5x h LYS 132 CO -0.00 0.73 -0.14 0.28 -0.57 0.00 0.00 179.45 179.75 2d5x h VAL 133 N 0.87 0.72 0.00 0.50 2.07 -0.82 -1.56 116.25 118.04 2d5x h VAL 133 Ca 0.22 -0.09 -0.09 0.00 0.82 0.00 0.00 66.70 67.56 2d5x h VAL 133 Cb 0.12 0.77 -0.01 0.00 -1.52 0.00 0.00 31.29 30.65 2d5x h VAL 133 CO -0.03 0.02 -0.44 -0.37 0.02 0.00 0.00 177.57 176.78 2d5x h VAL 134 N -0.44 1.18 -0.63 2.57 -1.51 -0.80 -0.30 116.25 116.32 2d5x h VAL 134 Ca -0.04 -1.57 -0.06 0.00 -1.23 0.00 0.00 66.70 63.81 2d5x h VAL 134 Cb 0.33 1.88 -0.03 0.00 -2.13 0.00 0.00 31.29 31.34 2d5x h VAL 134 CO 0.07 0.43 0.17 0.00 -1.23 0.00 0.00 177.57 177.00 2d5x h ALA 135 N 1.56 0.83 -0.58 5.19 0.00 -1.24 -0.23 119.26 124.79 2d5x h ALA 135 Ca -0.00 -0.22 -0.08 0.00 0.00 0.00 0.00 54.91 54.60 2d5x h ALA 135 Cb 0.84 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 18.37 2d5x h ALA 135 CO 0.06 0.52 0.04 0.78 0.00 0.00 0.00 179.25 180.65 2d5x h GLY 136 N 0.91 1.07 0.81 0.00 0.00 -0.40 -0.63 103.07 104.83 2d5x h GLY 136 Ca 0.20 -0.76 -0.01 0.00 0.00 0.00 0.00 47.33 46.77 2d5x h GLY 136 CO -0.00 0.70 0.02 -2.08 0.00 0.00 0.00 176.54 175.18 2d5x h VAL 137 N 0.88 1.19 -0.58 4.60 2.07 -0.95 -0.74 116.25 122.71 2d5x h VAL 137 Ca 0.17 -0.57 0.06 0.00 0.82 0.00 0.00 66.70 67.18 2d5x h VAL 137 Cb 0.49 1.41 -0.05 0.00 -1.52 0.00 0.00 31.29 31.61 2d5x h VAL 137 CO 0.02 0.16 0.29 0.00 0.02 0.00 0.00 177.57 178.06 2d5x h ALA 138 N 0.82 0.76 -0.76 1.67 0.00 -0.96 0.84 119.26 121.63 2d5x h ALA 138 Ca 0.03 0.03 -0.06 0.00 0.00 0.00 0.00 54.91 54.91 2d5x h ALA 138 Cb 0.24 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 17.94 2d5x h ALA 138 CO -0.00 -0.07 0.24 -0.97 0.00 0.00 0.00 179.25 178.45 2d5x h ASN 139 N 0.54 1.10 -0.52 0.00 -1.24 -0.97 -1.79 115.58 112.69 2d5x h ASN 139 Ca 0.27 -0.21 -0.10 0.00 0.71 0.00 0.00 56.30 56.98 2d5x h ASN 139 Cb 0.21 -0.29 -0.02 0.00 0.73 0.00 0.00 38.32 38.96 2d5x h ASN 139 CO -0.20 1.01 -0.05 0.00 -1.29 0.00 0.00 177.43 176.90 2d5x h ALA 140 N 1.13 0.71 0.00 1.57 0.00 -0.62 -2.69 119.26 119.37 2d5x h ALA 140 Ca 0.24 -0.32 -0.04 0.00 0.00 0.00 0.00 54.91 54.80 2d5x h ALA 140 Cb 0.30 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.90 2d5x h ALA 140 CO -0.01 0.57 -0.17 -0.07 0.00 0.00 0.00 179.25 179.57 2d5x h LEU 141 N 0.83 0.00 -1.44 0.00 3.38 -0.60 -2.35 115.31 115.13 2d5x h LEU 141 Ca 0.14 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.11 2d5x h LEU 141 Cb 0.59 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.34 2d5x h LEU 141 CO 0.04 0.17 0.00 0.00 0.09 0.00 0.00 178.44 178.74 2d5x n ALA 142 N -2.40 2.48 -0.29 1.53 0.00 -0.69 -4.31 120.51 116.82 2d5x n ALA 142 Ca -0.02 -0.66 0.04 0.00 0.00 0.00 0.00 53.44 52.80 2d5x n ALA 142 Cb 0.25 -1.02 0.18 0.00 0.00 0.00 0.00 19.45 18.87 2d5x n ALA 142 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 2d5x h HIS 143 N 2.70 0.80 0.00 0.00 6.17 -1.20 -0.10 115.15 123.52 2d5x h HIS 143 Ca 0.00 0.03 0.00 0.00 0.71 0.00 0.00 60.37 61.11 2d5x h HIS 143 Cb 0.60 -0.23 0.00 0.00 2.52 0.00 0.00 27.41 30.29 2d5x h HIS 143 CO 0.17 0.28 0.00 1.63 0.71 0.00 0.00 177.93 180.72 2d5x n LYS 144 N -4.80 0.13 0.02 5.26 4.76 -1.26 0.12 118.16 122.39 2d5x n LYS 144 Ca 0.14 0.56 0.12 0.00 -2.87 0.00 0.00 58.31 56.26 2d5x n LYS 144 Cb 0.33 -1.86 0.25 0.00 -1.84 0.00 0.00 35.03 31.91 2d5x n LYS 144 CO 0.00 0.00 0.00 0.66 -1.37 0.00 0.00 177.40 176.69 2d5x n TYR 145 N -2.12 0.17 1.71 2.13 0.53 -0.06 -4.94 117.16 114.58 2d5x n TYR 145 Ca -0.00 0.05 0.15 0.00 -1.02 0.00 0.00 57.90 57.08 2d5x n TYR 145 Cb 0.08 -0.40 0.70 0.00 -1.03 0.00 0.00 39.34 38.69 2d5x n TYR 145 CO 0.00 0.00 0.00 0.72 -1.02 0.00 0.00 176.86 176.56