#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2d5x s LEU 2 N 0.00 3.15 0.86 6.55 1.43 -1.26 -5.03 118.68 124.38 2d5x s LEU 2 Ca 0.00 1.97 -0.11 0.00 -1.03 0.00 0.00 54.13 54.96 2d5x s LEU 2 Cb 0.00 -4.54 0.11 0.00 0.03 0.00 0.00 46.19 41.79 2d5x s LEU 2 CO 0.00 -2.05 1.09 -0.94 0.23 0.00 0.00 176.35 174.69 2d5x s SER 3 N -2.92 3.72 0.21 2.29 1.04 -1.26 -4.81 113.70 111.96 2d5x s SER 3 Ca 0.65 1.68 -0.10 0.00 0.48 0.00 0.00 55.95 58.66 2d5x s SER 3 Cb -0.20 -2.35 0.23 0.00 0.10 0.00 0.00 66.02 63.81 2d5x s SER 3 CO 0.50 -2.51 1.80 0.00 0.98 0.00 0.00 173.24 174.01 2d5x h ALA 4 N -1.46 0.85 -0.85 5.32 0.00 -1.99 -0.86 119.26 120.27 2d5x h ALA 4 Ca -0.47 0.02 0.01 0.00 0.00 0.00 0.00 54.91 54.47 2d5x h ALA 4 Cb 1.26 -0.10 -0.04 0.00 0.00 0.00 0.00 17.79 18.92 2d5x h ALA 4 CO 0.52 0.00 0.55 0.00 0.00 0.00 0.00 179.25 180.32 2d5x h ALA 5 N 1.35 1.07 -0.41 0.00 0.00 -1.99 -1.85 119.26 117.43 2d5x h ALA 5 Ca 0.29 -0.06 -0.05 0.00 0.00 0.00 0.00 54.91 55.09 2d5x h ALA 5 Cb 0.20 -0.34 -0.02 0.00 0.00 0.00 0.00 17.79 17.63 2d5x h ALA 5 CO -0.19 0.49 0.07 -0.44 0.00 0.00 0.00 179.25 179.18 2d5x h ASP 6 N 1.15 0.65 -0.91 0.00 3.32 -1.80 -1.55 116.42 117.29 2d5x h ASP 6 Ca 0.31 -0.26 0.02 0.00 0.02 0.00 0.00 57.03 57.12 2d5x h ASP 6 Cb -0.12 -0.17 -0.05 0.00 0.22 0.00 0.00 39.33 39.21 2d5x h ASP 6 CO -0.07 0.74 0.60 0.11 -1.72 0.00 0.00 179.24 178.90 2d5x h LYS 7 N 0.53 1.15 -0.24 3.56 1.57 -0.90 0.66 116.57 122.90 2d5x h LYS 7 Ca 0.12 -0.07 -0.01 0.00 -1.87 0.00 0.00 60.65 58.82 2d5x h LYS 7 Cb 0.37 -0.26 -0.01 0.00 0.08 0.00 0.00 32.23 32.41 2d5x h LYS 7 CO 0.01 0.76 0.10 1.15 -0.57 0.00 0.00 179.45 180.90 2d5x h THR 8 N 1.18 1.16 -0.82 -0.16 2.02 -1.25 -0.28 112.91 114.76 2d5x h THR 8 Ca 0.35 -0.48 -0.01 0.00 0.77 0.00 0.00 66.41 67.04 2d5x h THR 8 Cb -0.06 1.03 -0.04 0.00 -1.74 0.00 0.00 68.15 67.34 2d5x h THR 8 CO -0.10 0.16 0.47 0.78 0.37 0.00 0.00 175.52 177.21 2d5x h ASN 9 N 0.24 1.01 -0.11 4.18 -0.26 -0.80 -1.00 115.58 118.84 2d5x h ASN 9 Ca 0.08 -0.08 -0.04 0.00 -0.56 0.00 0.00 56.30 55.70 2d5x h ASN 9 Cb 0.16 -0.26 -0.00 0.00 -1.06 0.00 0.00 38.32 37.16 2d5x h ASN 9 CO -0.01 0.79 -0.09 0.58 -1.06 0.00 0.00 177.43 177.65 2d5x h VAL 10 N 1.14 1.35 -0.88 2.81 2.07 -0.67 -0.01 116.25 122.05 2d5x h VAL 10 Ca 0.29 -1.21 -0.01 0.00 0.82 0.00 0.00 66.70 66.60 2d5x h VAL 10 Cb -0.01 1.91 -0.04 0.00 -1.52 0.00 0.00 31.29 31.63 2d5x h VAL 10 CO -0.05 0.34 0.53 0.11 0.02 0.00 0.00 177.57 178.52 2d5x h LYS 11 N -0.13 1.20 0.34 1.57 1.57 -1.01 -0.43 116.57 119.68 2d5x h LYS 11 Ca 0.02 -0.11 -0.02 0.00 -1.87 0.00 0.00 60.65 58.67 2d5x h LYS 11 Cb 0.59 -0.25 0.00 0.00 0.08 0.00 0.00 32.23 32.65 2d5x h LYS 11 CO 0.02 0.84 -0.16 0.00 -0.57 0.00 0.00 179.45 179.58 2d5x h ALA 12 N 1.36 -0.46 -0.70 3.86 0.00 -1.07 -1.85 119.26 120.41 2d5x h ALA 12 Ca 0.32 -0.12 0.01 0.00 0.00 0.00 0.00 54.91 55.12 2d5x h ALA 12 Cb -0.04 0.18 -0.04 0.00 0.00 0.00 0.00 17.79 17.89 2d5x h ALA 12 CO -0.06 -0.72 0.46 0.00 0.00 0.00 0.00 179.25 178.93 2d5x h ALA 13 N 0.12 0.89 0.00 0.00 0.00 -0.82 -1.72 119.26 117.73 2d5x h ALA 13 Ca -0.05 -0.04 -0.04 0.00 0.00 0.00 0.00 54.91 54.78 2d5x h ALA 13 Cb 0.39 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.90 2d5x h ALA 13 CO 0.08 0.29 -0.20 2.35 0.00 0.00 0.00 179.25 181.77 2d5x h TRP 14 N 0.93 0.00 -0.32 0.00 2.91 -0.99 -1.10 115.95 117.38 2d5x h TRP 14 Ca 0.26 0.00 -0.07 0.00 1.13 0.00 0.00 58.89 60.21 2d5x h TRP 14 Cb -0.09 0.00 -0.02 0.00 -0.51 0.00 0.00 29.16 28.54 2d5x h TRP 14 CO -0.03 0.20 -0.08 0.66 -1.03 0.00 0.00 178.44 178.16 2d5x h SER 15 N 0.00 0.51 1.02 2.65 4.64 -0.44 -2.53 113.55 119.39 2d5x h SER 15 Ca -0.00 -0.12 -0.02 0.00 -0.47 0.00 0.00 61.79 61.18 2d5x h SER 15 Cb 0.39 -0.14 -0.00 0.00 -0.31 0.00 0.00 62.40 62.34 2d5x h SER 15 CO 0.03 0.64 -0.10 0.11 -0.87 0.00 0.00 176.83 176.64 2d5x h LYS 16 N 0.50 0.00 -0.00 4.77 6.56 -0.99 -2.04 116.57 125.36 2d5x h LYS 16 Ca 0.10 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.69 2d5x h LYS 16 Cb 0.45 0.00 -0.00 0.00 -0.57 0.00 0.00 32.23 32.11 2d5x h LYS 16 CO 0.02 0.10 0.00 0.28 -2.06 0.00 0.00 179.45 177.79 2d5x h VAL 17 N 0.00 0.18 0.00 0.50 2.07 -1.20 -3.47 116.25 114.33 2d5x h VAL 17 Ca -0.00 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.52 2d5x h VAL 17 Cb 0.63 1.00 0.00 0.00 -1.52 0.00 0.00 31.29 31.40 2d5x h VAL 17 CO 0.01 0.00 0.00 0.61 0.02 0.00 0.00 177.57 178.21 2d5x n GLY 18 N -1.16 3.02 1.49 2.17 0.00 -0.77 -1.37 105.19 108.56 2d5x n GLY 18 Ca -0.03 -0.22 0.04 0.00 0.00 0.00 0.00 46.02 45.81 2d5x n GLY 18 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2d5x n GLY 19 N 0.00 2.57 0.91 -0.02 0.00 -1.26 -4.49 105.19 102.89 2d5x n GLY 19 Ca 0.00 -0.65 0.10 0.00 0.00 0.00 0.00 46.02 45.47 2d5x n GLY 19 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 2d5x n HIS 20 N 0.42 0.50 -0.32 1.61 8.25 -0.47 -4.53 115.22 120.68 2d5x n HIS 20 Ca 0.20 -0.25 -0.00 0.00 -0.26 0.00 0.00 57.72 57.41 2d5x n HIS 20 Cb 0.93 0.00 0.13 0.00 1.12 0.00 0.00 29.99 32.16 2d5x n HIS 20 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2d5x h ALA 21 N 4.16 1.18 -0.43 -1.41 0.00 -1.79 0.26 119.26 121.24 2d5x h ALA 21 Ca 0.00 -0.03 -0.09 0.00 0.00 0.00 0.00 54.91 54.80 2d5x h ALA 21 Cb 0.73 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 18.22 2d5x h ALA 21 CO 0.00 0.37 -0.07 0.78 0.00 0.00 0.00 179.25 180.33 2d5x h GLY 22 N 1.06 0.86 0.99 0.00 0.00 -1.79 0.98 103.07 105.16 2d5x h GLY 22 Ca 0.36 -0.69 -0.01 0.00 0.00 0.00 0.00 47.33 46.99 2d5x h GLY 22 CO -0.14 0.63 0.29 0.83 0.00 0.00 0.00 176.54 178.15 2d5x h GLU 23 N 0.63 0.77 -0.41 4.80 5.08 -1.69 -1.11 114.58 122.65 2d5x h GLU 23 Ca 0.11 -0.10 -0.14 0.00 -1.00 0.00 0.00 59.36 58.24 2d5x h GLU 23 Cb 0.59 -0.15 -0.01 0.00 0.50 0.00 0.00 28.75 29.68 2d5x h GLU 23 CO 0.04 0.61 -0.29 1.88 -1.00 0.00 0.00 179.01 180.24 2d5x h TYR 24 N 0.74 1.05 -0.60 4.33 0.05 -0.75 -1.31 116.97 120.48 2d5x h TYR 24 Ca 0.19 -0.28 0.02 0.00 0.05 0.00 0.00 58.73 58.71 2d5x h TYR 24 Cb 0.06 -0.23 -0.03 0.00 1.01 0.00 0.00 36.73 37.53 2d5x h TYR 24 CO -0.01 1.07 0.38 0.78 -1.05 0.00 0.00 178.16 179.33 2d5x h GLY 25 N 0.88 0.85 0.97 3.88 0.00 -0.57 0.19 103.07 109.26 2d5x h GLY 25 Ca 0.08 -0.29 -0.01 0.00 0.00 0.00 0.00 47.33 47.11 2d5x h GLY 25 CO 0.08 0.26 0.21 0.00 0.00 0.00 0.00 176.54 177.09 2d5x h ALA 26 N 1.24 0.50 -0.55 3.60 0.00 -0.93 -1.36 119.26 121.76 2d5x h ALA 26 Ca 0.23 -0.08 -0.09 0.00 0.00 0.00 0.00 54.91 54.97 2d5x h ALA 26 Cb -0.03 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.59 2d5x h ALA 26 CO -0.08 0.03 -0.03 1.49 0.00 0.00 0.00 179.25 180.66 2d5x h GLU 27 N 0.50 0.96 -0.65 0.00 4.81 -1.03 -1.20 114.58 117.97 2d5x h GLU 27 Ca 0.14 -0.30 -0.02 0.00 -0.13 0.00 0.00 59.36 59.04 2d5x h GLU 27 Cb 0.06 -0.09 -0.03 0.00 0.63 0.00 0.00 28.75 29.32 2d5x h GLU 27 CO -0.02 0.97 0.33 0.00 -0.73 0.00 0.00 179.01 179.55 2d5x h ALA 28 N 1.08 0.84 -0.39 2.92 0.00 -0.73 0.24 119.26 123.21 2d5x h ALA 28 Ca 0.16 -0.13 0.01 0.00 0.00 0.00 0.00 54.91 54.94 2d5x h ALA 28 Cb 0.56 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 18.07 2d5x h ALA 28 CO 0.03 0.38 0.25 -0.07 0.00 0.00 0.00 179.25 179.85 2d5x h LEU 29 N 0.89 0.43 -0.67 0.00 3.38 -0.97 -0.00 115.31 118.37 2d5x h LEU 29 Ca 0.23 -0.01 -0.01 0.00 0.09 0.00 0.00 57.88 58.18 2d5x h LEU 29 Cb 0.09 -0.11 -0.03 0.00 0.09 0.00 0.00 40.66 40.70 2d5x h LEU 29 CO -0.03 0.31 0.40 -0.08 0.09 0.00 0.00 178.44 179.13 2d5x h GLU 30 N 0.52 0.92 -0.89 1.13 4.81 -0.61 0.37 114.58 120.82 2d5x h GLU 30 Ca 0.14 -0.09 0.00 0.00 -0.13 0.00 0.00 59.36 59.29 2d5x h GLU 30 Cb -0.05 -0.19 -0.04 0.00 0.63 0.00 0.00 28.75 29.09 2d5x h GLU 30 CO -0.04 0.66 0.57 0.00 -0.73 0.00 0.00 179.01 179.47 2d5x h ARG 31 N 0.92 1.19 -0.12 1.92 3.08 -0.68 -1.88 114.38 118.81 2d5x h ARG 31 Ca 0.24 -0.09 -0.02 0.00 0.07 0.00 0.00 59.98 60.18 2d5x h ARG 31 Cb -0.02 -0.26 -0.00 0.00 0.08 0.00 0.00 29.97 29.77 2d5x h ARG 31 CO -0.04 0.81 -0.01 1.98 -1.07 0.00 0.00 179.97 181.63 2d5x h MET 32 N 1.22 0.22 -0.59 0.04 4.05 -0.10 0.15 114.93 119.92 2d5x h MET 32 Ca 0.32 -0.08 -0.02 0.00 -0.28 0.00 0.00 59.70 59.65 2d5x h MET 32 Cb -0.10 -0.02 -0.03 0.00 -0.80 0.00 0.00 31.60 30.65 2d5x h MET 32 CO -0.07 0.49 0.29 0.74 0.23 0.00 0.00 176.91 178.59 2d5x h PHE 33 N -0.07 0.83 0.18 1.39 0.04 -0.68 0.17 116.94 118.79 2d5x h PHE 33 Ca 0.03 -0.02 -0.29 0.00 2.80 0.00 0.00 57.97 60.49 2d5x h PHE 33 Cb 0.40 -0.26 0.02 0.00 2.20 0.00 0.00 35.95 38.31 2d5x h PHE 33 CO 0.04 0.61 -1.39 -0.07 -0.60 0.00 0.00 178.31 176.90 2d5x h LEU 34 N 0.84 0.59 -0.54 1.54 3.38 -1.34 -3.24 115.31 116.53 2d5x h LEU 34 Ca 0.21 -0.92 -0.16 0.00 0.09 0.00 0.00 57.88 57.10 2d5x h LEU 34 Cb 0.08 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 40.63 2d5x h LEU 34 CO -0.03 1.64 -0.71 1.23 0.09 0.00 0.00 178.44 180.66 2d5x h GLY 35 N 0.14 0.15 -6.43 0.83 0.00 -0.60 -3.38 103.07 93.78 2d5x h GLY 35 Ca -0.27 -0.21 -0.59 0.00 0.00 0.00 0.00 47.33 46.26 2d5x h GLY 35 CO 0.17 0.19 -0.89 0.69 0.00 0.00 0.00 176.54 176.70 2d5x n PHE 36 N -3.75 0.40 0.30 5.60 3.72 0.57 -5.01 117.46 119.30 2d5x n PHE 36 Ca -0.02 -3.63 0.19 0.00 -0.05 0.00 0.00 57.45 53.94 2d5x n PHE 36 Cb 0.69 -0.10 1.02 0.00 -0.94 0.00 0.00 39.48 40.16 2d5x n PHE 36 CO 0.00 0.00 0.00 -1.35 -0.05 0.00 0.00 176.76 175.36 2d5x h PRO 37 N 5.17 0.00 -0.74 -1.08 0.11 -1.73 -0.63 132.00 133.10 2d5x h PRO 37 Ca 0.20 0.00 0.18 0.00 0.11 0.00 0.00 66.00 66.49 2d5x h PRO 37 Cb 0.85 0.00 -0.04 0.00 0.11 0.00 0.00 31.00 31.92 2d5x h PRO 37 CO 0.50 0.00 0.51 1.79 -0.21 0.00 0.00 178.00 180.59 2d5x h THR 38 N 0.00 0.71 0.00 -1.15 1.35 -1.91 -1.87 112.91 110.04 2d5x h THR 38 Ca 0.02 -0.07 0.00 0.00 -0.55 0.00 0.00 66.41 65.80 2d5x h THR 38 Cb 0.18 0.48 0.00 0.00 -1.73 0.00 0.00 68.15 67.07 2d5x h THR 38 CO -0.00 0.04 0.00 0.71 -0.25 0.00 0.00 175.52 176.02 2d5x h THR 39 N 0.22 0.00 0.00 6.82 1.35 -1.42 -2.99 112.91 116.89 2d5x h THR 39 Ca 0.36 -0.44 -0.01 0.00 -0.55 0.00 0.00 66.41 65.77 2d5x h THR 39 Cb 1.11 1.43 -0.00 0.00 -1.73 0.00 0.00 68.15 68.96 2d5x h THR 39 CO -0.08 0.00 -0.07 0.11 -0.25 0.00 0.00 175.52 175.24 2d5x h LYS 40 N 0.00 0.00 0.00 4.72 1.57 -1.53 -2.73 116.57 118.61 2d5x h LYS 40 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 2d5x h LYS 40 Cb 0.45 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.76 2d5x h LYS 40 CO 0.00 0.07 0.00 0.25 -0.57 0.00 0.00 179.45 179.20 2d5x n THR 41 N -3.81 0.54 0.73 -0.16 -2.24 -1.13 -1.56 114.28 106.66 2d5x n THR 41 Ca -0.02 0.14 0.13 0.00 -2.27 0.00 0.00 64.05 62.02 2d5x n THR 41 Cb 0.17 -0.80 0.48 0.00 -2.10 0.00 0.00 70.33 68.07 2d5x n THR 41 CO 0.00 0.00 0.00 -1.22 -0.57 0.00 0.00 175.07 173.28 2d5x n TYR 42 N -1.41 0.58 -2.79 4.78 4.01 -1.03 -4.15 117.16 117.16 2d5x n TYR 42 Ca 0.07 0.17 -0.23 0.00 -0.16 0.00 0.00 57.90 57.75 2d5x n TYR 42 Cb 0.20 -0.78 -0.01 0.00 -0.31 0.00 0.00 39.34 38.43 2d5x n TYR 42 CO 0.00 0.00 0.00 1.19 -0.46 0.00 0.00 176.86 177.59 2d5x n PHE 43 N -1.98 2.81 0.26 -0.72 3.01 -0.60 -4.93 117.46 115.30 2d5x n PHE 43 Ca 0.06 -3.50 0.08 0.00 1.01 0.00 0.00 57.45 55.10 2d5x n PHE 43 Cb 0.38 -0.33 0.65 0.00 -0.01 0.00 0.00 39.48 40.17 2d5x n PHE 43 CO 0.00 0.00 0.00 -1.00 1.01 0.00 0.00 176.76 176.77 2d5x h PRO 44 N 2.85 0.00 -0.54 -1.08 0.13 -1.72 -2.30 132.00 129.35 2d5x h PRO 44 Ca 0.15 0.00 -0.28 0.00 -0.87 0.00 0.00 66.00 65.00 2d5x h PRO 44 Cb 0.81 0.00 -0.17 0.00 0.13 0.00 0.00 31.00 31.78 2d5x h PRO 44 CO 0.73 0.01 0.13 0.72 -0.23 0.00 0.00 178.00 179.37 2d5x n HIS 45 N -4.47 1.67 -4.21 1.56 8.25 -1.26 -4.96 115.22 111.81 2d5x n HIS 45 Ca -0.03 -1.68 -0.33 0.00 -0.26 0.00 0.00 57.72 55.43 2d5x n HIS 45 Cb 0.10 -0.63 -0.08 0.00 1.12 0.00 0.00 29.99 30.51 2d5x n HIS 45 CO 0.00 0.00 0.00 -0.06 0.64 0.00 0.00 176.34 176.92 2d5x s PHE 46 N -3.26 3.15 -0.35 4.41 0.40 -0.87 -5.08 117.98 116.38 2d5x s PHE 46 Ca 0.48 0.12 -0.29 0.00 -0.60 0.00 0.00 56.93 56.65 2d5x s PHE 46 Cb 0.43 -1.69 0.01 0.00 0.51 0.00 0.00 43.02 42.28 2d5x s PHE 46 CO 0.03 0.50 1.17 0.34 0.70 0.00 0.00 175.22 177.96 2d5x s ASP 47 N -1.66 6.76 0.00 1.36 2.15 -1.26 -4.92 116.67 119.10 2d5x s ASP 47 Ca 0.21 0.97 0.23 0.00 0.43 0.00 0.00 52.55 54.39 2d5x s ASP 47 Cb -0.12 -2.54 0.46 0.00 -0.30 0.00 0.00 42.92 40.42 2d5x s ASP 47 CO 0.12 -1.04 1.42 0.18 -0.17 0.00 0.00 175.17 175.67 2d5x n LEU 48 N 7.39 3.17 -4.73 -1.34 4.77 -1.26 -4.38 117.00 120.63 2d5x n LEU 48 Ca 0.13 -1.34 -0.31 0.00 -0.03 0.00 0.00 56.01 54.46 2d5x n LEU 48 Cb 0.47 -0.21 0.12 0.00 -2.33 0.00 0.00 43.42 41.47 2d5x n LEU 48 CO 0.64 0.67 0.69 -0.94 -1.33 0.00 0.00 177.39 177.12 2d5x s SER 49 N -1.53 3.90 0.34 -1.43 1.04 -1.26 -4.93 113.70 109.83 2d5x s SER 49 Ca 0.37 1.97 -0.29 0.00 0.48 0.00 0.00 55.95 58.49 2d5x s SER 49 Cb 0.22 -2.54 -0.11 0.00 0.10 0.00 0.00 66.02 63.68 2d5x s SER 49 CO 0.31 -2.44 1.51 1.57 0.98 0.00 0.00 173.24 175.16 2d5x n HIS 50 N -3.77 2.85 -0.96 5.02 -0.00 -1.26 -2.16 115.22 114.94 2d5x n HIS 50 Ca 0.10 0.38 0.00 0.00 0.46 0.00 0.00 57.72 58.66 2d5x n HIS 50 Cb 0.53 -2.54 0.00 0.00 -0.12 0.00 0.00 29.99 27.85 2d5x n HIS 50 CO 0.00 0.00 0.00 0.41 0.46 0.00 0.00 176.34 177.21 2d5x n GLY 51 N 1.19 0.74 3.58 1.57 0.00 -1.26 -4.98 105.19 106.03 2d5x n GLY 51 Ca 0.05 0.00 -0.48 0.00 0.00 0.00 0.00 46.02 45.59 2d5x n GLY 51 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2d5x n SER 52 N -0.04 1.29 -0.25 1.61 2.88 -0.92 -4.85 113.62 113.34 2d5x n SER 52 Ca 0.00 1.15 -0.03 0.00 -1.33 0.00 0.00 58.87 58.66 2d5x n SER 52 Cb 0.02 -1.22 0.09 0.00 -0.75 0.00 0.00 64.21 62.34 2d5x n SER 52 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2d5x h ALA 53 N 3.11 0.93 -0.57 -1.46 0.00 -1.91 -1.71 119.26 117.66 2d5x h ALA 53 Ca -0.42 -0.01 -0.11 0.00 0.00 0.00 0.00 54.91 54.36 2d5x h ALA 53 Cb 1.34 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 18.91 2d5x h ALA 53 CO 0.68 0.19 -0.07 1.96 0.00 0.00 0.00 179.25 182.01 2d5x h GLN 54 N 0.84 1.05 -0.36 0.00 4.20 -1.90 -0.67 115.11 118.27 2d5x h GLN 54 Ca 0.29 -0.37 -0.15 0.00 0.06 0.00 0.00 58.65 58.48 2d5x h GLN 54 Cb 0.06 -0.08 -0.01 0.00 0.30 0.00 0.00 27.48 27.76 2d5x h GLN 54 CO -0.13 1.07 -0.35 0.28 -0.67 0.00 0.00 178.83 179.03 2d5x h VAL 55 N 0.94 1.28 -0.35 -0.54 2.07 -1.71 -0.10 116.25 117.84 2d5x h VAL 55 Ca 0.15 -1.53 0.03 0.00 0.82 0.00 0.00 66.70 66.18 2d5x h VAL 55 Cb 0.64 1.43 -0.03 0.00 -1.52 0.00 0.00 31.29 31.81 2d5x h VAL 55 CO 0.04 0.51 0.15 0.11 0.02 0.00 0.00 177.57 178.40 2d5x h LYS 56 N 0.68 0.30 -0.26 1.57 1.79 -1.17 0.80 116.57 120.29 2d5x h LYS 56 Ca 0.06 -0.02 -0.00 0.00 -2.18 0.00 0.00 60.65 58.51 2d5x h LYS 56 Cb 0.94 -0.07 -0.01 0.00 -1.58 0.00 0.00 32.23 31.51 2d5x h LYS 56 CO 0.09 0.20 0.15 0.00 -1.08 0.00 0.00 179.45 178.81 2d5x h ALA 57 N 1.20 0.33 -0.30 3.86 0.00 -0.97 -2.45 119.26 120.93 2d5x h ALA 57 Ca 0.15 -0.04 -0.11 0.00 0.00 0.00 0.00 54.91 54.91 2d5x h ALA 57 Cb 0.10 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.77 2d5x h ALA 57 CO -0.13 -0.17 -0.29 1.25 0.00 0.00 0.00 179.25 179.91 2d5x h HIS 58 N 0.32 0.70 -0.62 0.00 -0.00 -0.65 -2.27 115.15 112.63 2d5x h HIS 58 Ca 0.09 -0.17 -0.01 0.00 -0.00 0.00 0.00 60.37 60.28 2d5x h HIS 58 Cb 0.01 -0.16 -0.03 0.00 -0.00 0.00 0.00 27.41 27.23 2d5x h HIS 58 CO -0.05 0.83 0.34 0.78 -0.00 0.00 0.00 177.93 179.84 2d5x h GLY 59 N 1.01 0.91 1.00 5.26 0.00 -0.76 -1.29 103.07 109.20 2d5x h GLY 59 Ca 0.07 -0.39 -0.00 0.00 0.00 0.00 0.00 47.33 47.00 2d5x h GLY 59 CO 0.06 0.38 0.43 1.70 0.00 0.00 0.00 176.54 179.11 2d5x h LYS 60 N 0.86 0.96 -0.22 4.80 3.64 -0.92 0.55 116.57 126.23 2d5x h LYS 60 Ca 0.22 -0.09 -0.01 0.00 -1.27 0.00 0.00 60.65 59.50 2d5x h LYS 60 Cb 0.02 -0.20 -0.01 0.00 -0.41 0.00 0.00 32.23 31.63 2d5x h LYS 60 CO -0.04 0.68 0.09 0.87 -2.27 0.00 0.00 179.45 178.78 2d5x h LYS 61 N 0.96 0.34 -0.20 1.90 1.57 -1.07 0.83 116.57 120.89 2d5x h LYS 61 Ca 0.25 -0.06 0.01 0.00 -1.87 0.00 0.00 60.65 58.98 2d5x h LYS 61 Cb -0.03 -0.05 -0.01 0.00 0.08 0.00 0.00 32.23 32.21 2d5x h LYS 61 CO -0.05 0.39 0.12 0.28 -0.57 0.00 0.00 179.45 179.62 2d5x h VAL 62 N 0.21 1.03 -0.97 0.50 2.07 -1.14 -0.88 116.25 117.07 2d5x h VAL 62 Ca 0.07 -0.09 0.04 0.00 0.82 0.00 0.00 66.70 67.55 2d5x h VAL 62 Cb 0.18 0.76 -0.06 0.00 -1.52 0.00 0.00 31.29 30.65 2d5x h VAL 62 CO -0.01 0.05 0.63 1.23 0.02 0.00 0.00 177.57 179.49 2d5x h GLY 63 N 0.25 1.43 1.06 2.17 0.00 -0.72 -0.62 103.07 106.65 2d5x h GLY 63 Ca 0.08 -0.47 -0.10 0.00 0.00 0.00 0.00 47.33 46.84 2d5x h GLY 63 CO -0.03 0.39 -0.03 -0.55 0.00 0.00 0.00 176.54 176.31 2d5x h ASP 64 N 1.19 0.99 -0.50 0.19 3.32 -0.56 -0.24 116.42 120.81 2d5x h ASP 64 Ca 0.39 -0.32 -0.09 0.00 0.02 0.00 0.00 57.03 57.03 2d5x h ASP 64 Cb 0.05 -0.27 -0.02 0.00 0.22 0.00 0.00 39.33 39.31 2d5x h ASP 64 CO -0.14 1.07 -0.02 0.00 -1.72 0.00 0.00 179.24 178.44 2d5x h ALA 65 N 0.95 0.94 -0.41 3.45 0.00 -0.78 -0.86 119.26 122.55 2d5x h ALA 65 Ca 0.15 -0.30 -0.11 0.00 0.00 0.00 0.00 54.91 54.65 2d5x h ALA 65 Cb 0.59 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.15 2d5x h ALA 65 CO 0.04 0.63 -0.21 -0.07 0.00 0.00 0.00 179.25 179.64 2d5x h LEU 66 N 0.86 0.82 -0.69 0.00 3.38 -0.92 -0.62 115.31 118.16 2d5x h LEU 66 Ca 0.16 -0.29 -0.02 0.00 0.09 0.00 0.00 57.88 57.82 2d5x h LEU 66 Cb 0.53 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 41.03 2d5x h LEU 66 CO 0.03 1.01 0.37 0.74 0.09 0.00 0.00 178.44 180.68 2d5x h THR 67 N 0.71 1.22 -0.39 0.22 2.02 -0.80 -0.22 112.91 115.67 2d5x h THR 67 Ca 0.10 -0.55 -0.01 0.00 0.77 0.00 0.00 66.41 66.72 2d5x h THR 67 Cb 0.72 0.32 -0.02 0.00 -1.74 0.00 0.00 68.15 67.44 2d5x h THR 67 CO 0.06 0.24 0.22 0.25 0.37 0.00 0.00 175.52 176.65 2d5x h LEU 68 N 0.95 0.48 -0.73 2.58 5.85 -0.95 -2.28 115.31 121.20 2d5x h LEU 68 Ca 0.24 -0.08 0.05 0.00 0.84 0.00 0.00 57.88 58.94 2d5x h LEU 68 Cb 0.05 -0.12 -0.06 0.00 0.37 0.00 0.00 40.66 40.90 2d5x h LEU 68 CO -0.04 0.42 0.43 0.00 -0.34 0.00 0.00 178.44 178.92 2d5x h ALA 69 N 1.08 0.99 -0.25 1.25 0.00 -0.72 -1.66 119.26 119.95 2d5x h ALA 69 Ca 0.14 0.00 -0.00 0.00 0.00 0.00 0.00 54.91 55.05 2d5x h ALA 69 Cb 0.04 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.65 2d5x h ALA 69 CO -0.02 0.15 0.15 0.28 0.00 0.00 0.00 179.25 179.81 2d5x h VAL 70 N 0.81 1.07 -0.00 0.00 2.07 -0.77 -0.76 116.25 118.66 2d5x h VAL 70 Ca 0.32 -0.16 0.00 0.00 0.82 0.00 0.00 66.70 67.68 2d5x h VAL 70 Cb 0.15 0.72 0.00 0.00 -1.52 0.00 0.00 31.29 30.65 2d5x h VAL 70 CO -0.17 0.07 -0.03 0.61 0.02 0.00 0.00 177.57 178.08 2d5x n GLY 71 N -1.46 -1.34 2.61 2.17 0.00 -0.68 -4.15 105.19 102.34 2d5x n GLY 71 Ca 0.01 -0.15 -0.10 0.00 0.00 0.00 0.00 46.02 45.78 2d5x n GLY 71 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 2d5x n HIS 72 N -1.35 1.73 0.27 1.61 8.25 -0.31 -4.91 115.22 120.51 2d5x n HIS 72 Ca 0.11 -2.51 0.14 0.00 -0.26 0.00 0.00 57.72 55.20 2d5x n HIS 72 Cb 0.29 -0.28 0.73 0.00 1.12 0.00 0.00 29.99 31.84 2d5x n HIS 72 CO 0.00 0.00 0.00 -0.07 0.64 0.00 0.00 176.34 176.91 2d5x h LEU 73 N 2.68 0.00 0.00 2.41 3.38 -1.68 -1.47 115.31 120.63 2d5x h LEU 73 Ca 0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.98 2d5x h LEU 73 Cb 1.23 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.98 2d5x h LEU 73 CO 0.47 0.10 -0.04 0.47 0.09 0.00 0.00 178.44 179.52 2d5x n ASP 74 N -3.40 0.39 -2.92 -0.43 10.43 -1.26 -4.29 116.55 115.07 2d5x n ASP 74 Ca -0.01 0.49 -0.13 0.00 2.57 0.00 0.00 54.79 57.71 2d5x n ASP 74 Cb 0.27 -0.57 0.04 0.00 1.84 0.00 0.00 41.12 42.70 2d5x n ASP 74 CO 0.00 0.00 0.00 -0.67 -1.07 0.00 0.00 177.20 175.46 2d5x n ASP 75 N -1.85 -0.90 -0.34 -2.24 2.03 -0.58 -4.97 116.55 107.70 2d5x n ASP 75 Ca 0.06 -3.35 -0.02 0.00 0.52 0.00 0.00 54.79 52.01 2d5x n ASP 75 Cb 0.38 0.77 0.11 0.00 -0.72 0.00 0.00 41.12 41.67 2d5x n ASP 75 CO 0.00 0.00 0.00 -0.07 -1.92 0.00 0.00 177.20 175.21 2d5x h LEU 76 N 2.97 1.00 -0.86 -2.67 3.38 -1.67 -1.39 115.31 116.08 2d5x h LEU 76 Ca -0.02 -0.01 0.09 0.00 0.09 0.00 0.00 57.88 58.03 2d5x h LEU 76 Cb 1.05 -0.24 -0.07 0.00 0.09 0.00 0.00 40.66 41.50 2d5x h LEU 76 CO 0.29 0.70 0.50 -0.65 0.09 0.00 0.00 178.44 179.37 2d5x h PRO 77 N 1.18 0.82 -0.08 1.13 0.11 -1.93 0.43 132.00 133.65 2d5x h PRO 77 Ca 0.35 -0.05 -0.04 0.00 0.11 0.00 0.00 66.00 66.37 2d5x h PRO 77 Cb -0.04 -0.18 -0.00 0.00 0.11 0.00 0.00 31.00 30.88 2d5x h PRO 77 CO -0.10 0.54 -0.12 0.78 -0.21 0.00 0.00 178.00 178.88 2d5x h GLY 78 N 0.84 0.24 1.17 -0.55 0.00 -1.89 -1.88 103.07 101.01 2d5x h GLY 78 Ca 0.41 -0.27 -0.03 0.00 0.00 0.00 0.00 47.33 47.44 2d5x h GLY 78 CO -0.24 0.25 0.36 0.00 0.00 0.00 0.00 176.54 176.90 2d5x h ALA 79 N 0.51 1.22 -0.53 3.60 0.00 -0.95 -3.13 119.26 119.98 2d5x h ALA 79 Ca 0.01 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.77 2d5x h ALA 79 Cb 0.69 -0.30 0.00 0.00 0.00 0.00 0.00 17.79 18.18 2d5x h ALA 79 CO 0.03 0.60 0.00 1.28 0.00 0.00 0.00 179.25 181.15 2d5x n LEU 80 N -4.32 3.62 -0.03 0.00 4.77 0.11 -4.71 117.00 116.45 2d5x n LEU 80 Ca 0.07 -2.12 -0.09 0.00 -0.03 0.00 0.00 56.01 53.84 2d5x n LEU 80 Cb 0.14 -0.39 -0.03 0.00 -2.33 0.00 0.00 43.42 40.80 2d5x n LEU 80 CO 0.39 0.84 0.67 -1.28 -1.33 0.00 0.00 177.39 176.68 2d5x h SER 81 N 3.16 -0.88 -0.74 -1.43 0.87 -1.28 -0.52 113.55 112.73 2d5x h SER 81 Ca 0.00 0.14 -0.06 0.00 -1.23 0.00 0.00 61.79 60.64 2d5x h SER 81 Cb 0.97 0.39 -0.03 0.00 -0.44 0.00 0.00 62.40 63.29 2d5x h SER 81 CO 0.04 -0.31 0.22 0.78 -0.53 0.00 0.00 176.83 177.03 2d5x h ASN 82 N -0.32 1.08 0.45 6.23 2.35 -1.85 -1.26 115.58 122.27 2d5x h ASN 82 Ca 0.12 -0.21 -0.06 0.00 -0.55 0.00 0.00 56.30 55.59 2d5x h ASN 82 Cb 0.50 -0.28 -0.01 0.00 0.05 0.00 0.00 38.32 38.57 2d5x h ASN 82 CO -0.37 1.01 -0.30 0.25 -1.65 0.00 0.00 177.43 176.37 2d5x h LEU 83 N 1.10 0.00 -0.16 1.61 5.85 -1.79 -1.32 115.31 120.60 2d5x h LEU 83 Ca 0.24 0.00 -0.23 0.00 0.84 0.00 0.00 57.88 58.73 2d5x h LEU 83 Cb 0.32 0.00 0.01 0.00 0.37 0.00 0.00 40.66 41.36 2d5x h LEU 83 CO -0.01 0.30 -0.82 0.28 -0.34 0.00 0.00 178.44 177.86 2d5x h SER 84 N 0.00 0.89 -0.31 1.25 0.02 -0.34 -1.24 113.55 113.83 2d5x h SER 84 Ca -0.00 -0.60 0.05 0.00 -0.84 0.00 0.00 61.79 60.39 2d5x h SER 84 Cb 0.61 -0.27 -0.04 0.00 0.14 0.00 0.00 62.40 62.84 2d5x h SER 84 CO 0.04 1.40 0.05 0.44 -1.14 0.00 0.00 176.83 177.62 2d5x h ASP 85 N 0.49 -0.02 0.22 3.07 3.32 -0.78 -0.97 116.42 121.75 2d5x h ASP 85 Ca -0.06 0.05 -0.00 0.00 0.02 0.00 0.00 57.03 57.04 2d5x h ASP 85 Cb 1.44 0.08 -0.01 0.00 0.22 0.00 0.00 39.33 41.06 2d5x h ASP 85 CO 0.16 0.03 -0.17 0.25 -1.72 0.00 0.00 179.24 177.79 2d5x h LEU 86 N 0.15 -0.44 -0.83 1.55 5.85 -1.15 -0.39 115.31 120.05 2d5x h LEU 86 Ca 0.14 0.04 -0.11 0.00 0.84 0.00 0.00 57.88 58.79 2d5x h LEU 86 Cb 0.17 0.15 -0.01 0.00 0.37 0.00 0.00 40.66 41.33 2d5x h LEU 86 CO -0.20 -0.27 -0.36 0.45 -0.34 0.00 0.00 178.44 177.72 2d5x h HIS 87 N -0.40 0.53 0.00 1.25 3.86 -1.09 -0.93 115.15 118.36 2d5x h HIS 87 Ca -0.01 -0.14 0.00 0.00 -1.16 0.00 0.00 60.37 59.06 2d5x h HIS 87 Cb 0.36 -0.12 0.00 0.00 1.06 0.00 0.00 27.41 28.71 2d5x h HIS 87 CO -0.12 0.75 -0.27 0.00 0.86 0.00 0.00 177.93 179.15 2d5x h ALA 88 N 1.24 0.00 -0.18 2.45 0.00 -1.18 -0.89 119.26 120.69 2d5x h ALA 88 Ca 0.04 -0.32 -0.02 0.00 0.00 0.00 0.00 54.91 54.61 2d5x h ALA 88 Cb 0.80 0.27 -0.01 0.00 0.00 0.00 0.00 17.79 18.86 2d5x h ALA 88 CO 0.07 0.27 0.05 0.45 0.00 0.00 0.00 179.25 180.09 2d5x h HIS 89 N -0.73 0.30 0.00 0.00 3.86 -1.21 -2.11 115.15 115.26 2d5x h HIS 89 Ca 0.00 -0.03 -0.18 0.00 -1.16 0.00 0.00 60.37 59.00 2d5x h HIS 89 Cb 0.27 -0.09 -0.03 0.00 1.06 0.00 0.00 27.41 28.63 2d5x h HIS 89 CO -0.12 0.40 -0.98 -0.22 0.86 0.00 0.00 177.93 177.87 2d5x h LYS 90 N 0.12 0.00 0.00 2.45 3.64 -1.45 -3.40 116.57 117.93 2d5x h LYS 90 Ca 0.06 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.44 2d5x h LYS 90 Cb 0.24 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.06 2d5x h LYS 90 CO -0.00 0.97 -0.96 1.28 -2.27 0.00 0.00 179.45 178.47 2d5x n LEU 91 N -4.47 0.78 -3.89 5.20 4.77 -0.37 -4.97 117.00 114.04 2d5x n LEU 91 Ca -0.27 0.27 -0.25 0.00 -0.03 0.00 0.00 56.01 55.73 2d5x n LEU 91 Cb 0.63 -0.09 -0.00 0.00 -2.33 0.00 0.00 43.42 41.63 2d5x n LEU 91 CO 0.21 -0.13 -0.17 0.54 -1.33 0.00 0.00 177.39 176.51 2d5x n ARG 92 N -2.49 -3.81 -2.29 3.23 3.00 -0.79 -4.87 116.66 108.64 2d5x n ARG 92 Ca 0.01 0.47 -0.42 0.00 -0.01 0.00 0.00 57.85 57.89 2d5x n ARG 92 Cb 0.52 -4.76 -0.03 0.00 0.00 0.00 0.00 32.46 28.19 2d5x n ARG 92 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.63 177.71 2d5x s VAL 93 N -3.84 3.91 0.14 1.55 1.01 -0.40 -4.95 120.40 117.83 2d5x s VAL 93 Ca 0.05 1.24 -0.33 0.00 0.00 0.00 0.00 61.98 62.94 2d5x s VAL 93 Cb -0.03 -3.80 -0.13 0.00 0.00 0.00 0.00 36.38 32.43 2d5x s VAL 93 CO 0.87 -0.03 1.69 -0.67 0.00 0.00 0.00 175.10 176.95 2d5x n ASP 94 N 5.71 3.52 0.02 3.32 -0.08 -1.26 -4.87 116.55 122.90 2d5x n ASP 94 Ca 0.13 1.05 0.20 0.00 -1.51 0.00 0.00 54.79 54.66 2d5x n ASP 94 Cb 0.44 -1.48 0.70 0.00 2.34 0.00 0.00 41.12 43.12 2d5x n ASP 94 CO 0.00 0.00 0.00 -0.65 0.12 0.00 0.00 177.20 176.67 2d5x h PRO 95 N 6.88 0.00 -0.66 -0.67 0.11 -1.99 0.16 132.00 135.83 2d5x h PRO 95 Ca -0.45 0.00 0.07 0.00 0.11 0.00 0.00 66.00 65.73 2d5x h PRO 95 Cb 1.24 0.00 -0.04 0.00 0.11 0.00 0.00 31.00 32.31 2d5x h PRO 95 CO 0.92 0.00 0.43 0.28 -0.21 0.00 0.00 178.00 179.43 2d5x h VAL 96 N 0.00 0.99 0.00 3.15 2.07 -2.02 -2.34 116.25 118.09 2d5x h VAL 96 Ca 0.24 -0.22 -0.04 0.00 0.82 0.00 0.00 66.70 67.51 2d5x h VAL 96 Cb 0.99 0.30 -0.01 0.00 -1.52 0.00 0.00 31.29 31.06 2d5x h VAL 96 CO -0.00 0.11 -0.18 0.78 0.02 0.00 0.00 177.57 178.30 2d5x h ASN 97 N 0.63 0.00 -0.21 0.57 -0.26 -1.32 -1.68 115.58 113.30 2d5x h ASN 97 Ca 0.29 0.00 -0.10 0.00 -0.56 0.00 0.00 56.30 55.93 2d5x h ASN 97 Cb 0.32 0.00 -0.01 0.00 -1.06 0.00 0.00 38.32 37.57 2d5x h ASN 97 CO -0.09 0.18 -0.21 -0.26 -1.06 0.00 0.00 177.43 175.99 2d5x h PHE 98 N 0.00 0.74 -0.72 1.19 -1.00 -1.54 -0.68 116.94 114.92 2d5x h PHE 98 Ca -0.00 -0.16 -0.06 0.00 2.81 0.00 0.00 57.97 60.56 2d5x h PHE 98 Cb 0.52 -0.18 -0.03 0.00 3.61 0.00 0.00 35.95 39.86 2d5x h PHE 98 CO 0.00 0.82 0.22 0.87 -1.61 0.00 0.00 178.31 178.61 2d5x h LYS 99 N 0.58 1.13 0.00 1.51 1.57 -1.38 -0.53 116.57 119.45 2d5x h LYS 99 Ca 0.09 -0.25 -0.00 0.00 -1.87 0.00 0.00 60.65 58.62 2d5x h LYS 99 Cb 0.68 -0.16 0.00 0.00 0.08 0.00 0.00 32.23 32.83 2d5x h LYS 99 CO 0.05 0.97 -0.00 -0.07 -0.57 0.00 0.00 179.45 179.83 2d5x h LEU 100 N 1.07 -0.00 -0.92 2.94 3.38 -1.13 -1.08 115.31 119.56 2d5x h LEU 100 Ca 0.23 -0.19 -0.06 0.00 0.09 0.00 0.00 57.88 57.95 2d5x h LEU 100 Cb 0.31 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.04 2d5x h LEU 100 CO -0.01 0.19 0.13 0.25 0.09 0.00 0.00 178.44 179.09 2d5x h LEU 101 N -0.20 0.87 -0.47 1.67 5.85 -1.07 -1.81 115.31 120.14 2d5x h LEU 101 Ca -0.00 -0.17 -0.02 0.00 0.84 0.00 0.00 57.88 58.53 2d5x h LEU 101 Cb 0.20 -0.23 -0.02 0.00 0.37 0.00 0.00 40.66 40.98 2d5x h LEU 101 CO 0.00 0.85 0.23 0.28 -0.34 0.00 0.00 178.44 179.46 2d5x h SER 102 N 0.88 0.61 -0.82 1.25 0.02 -0.94 0.21 113.55 114.75 2d5x h SER 102 Ca 0.19 -0.13 0.05 0.00 -0.84 0.00 0.00 61.79 61.06 2d5x h SER 102 Cb 0.34 -0.16 -0.06 0.00 0.14 0.00 0.00 62.40 62.67 2d5x h SER 102 CO 0.00 0.56 0.51 -0.74 -1.14 0.00 0.00 176.83 176.02 2d5x h HIS 103 N 0.61 0.94 -0.10 3.45 -0.00 -0.97 -0.86 115.15 118.22 2d5x h HIS 103 Ca 0.16 0.03 -0.12 0.00 -0.00 0.00 0.00 60.37 60.44 2d5x h HIS 103 Cb 0.12 -0.31 -0.01 0.00 -0.00 0.00 0.00 27.41 27.21 2d5x h HIS 103 CO -0.01 0.50 -0.46 0.00 -0.00 0.00 0.00 177.93 177.96 2d5x h LEU 105 N 0.19 0.30 -0.78 0.00 3.38 -0.05 -1.37 115.31 116.98 2d5x h LEU 105 Ca 0.01 -0.26 0.05 0.00 0.09 0.00 0.00 57.88 57.78 2d5x h LEU 105 Cb 0.89 -0.08 -0.06 0.00 0.09 0.00 0.00 40.66 41.50 2d5x h LEU 105 CO 0.07 0.48 0.48 -0.07 0.09 0.00 0.00 178.44 179.49 2d5x h LEU 106 N 0.10 0.75 -0.64 1.67 3.38 -1.01 -0.68 115.31 118.88 2d5x h LEU 106 Ca 0.06 0.02 0.04 0.00 0.09 0.00 0.00 57.88 58.08 2d5x h LEU 106 Cb 0.31 -0.14 -0.05 0.00 0.09 0.00 0.00 40.66 40.87 2d5x h LEU 106 CO 0.00 0.49 0.38 0.28 0.09 0.00 0.00 178.44 179.69 2d5x h SER 107 N 0.89 0.60 -0.41 -0.43 0.02 -1.04 -0.50 113.55 112.68 2d5x h SER 107 Ca 0.34 0.01 -0.13 0.00 -0.84 0.00 0.00 61.79 61.17 2d5x h SER 107 Cb 0.14 -0.11 -0.01 0.00 0.14 0.00 0.00 62.40 62.55 2d5x h SER 107 CO -0.16 0.41 -0.24 0.74 -1.14 0.00 0.00 176.83 176.45 2d5x h THR 108 N 0.74 1.28 -0.60 -2.27 2.02 -0.72 -1.14 112.91 112.21 2d5x h THR 108 Ca 0.27 -1.39 -0.06 0.00 0.77 0.00 0.00 66.41 66.00 2d5x h THR 108 Cb 0.08 1.28 -0.03 0.00 -1.74 0.00 0.00 68.15 67.75 2d5x h THR 108 CO -0.13 0.47 0.12 -0.07 0.37 0.00 0.00 175.52 176.28 2d5x h LEU 109 N 0.70 0.89 -0.68 2.58 3.38 -0.83 -2.46 115.31 118.89 2d5x h LEU 109 Ca 0.09 -0.18 -0.09 0.00 0.09 0.00 0.00 57.88 57.78 2d5x h LEU 109 Cb 0.81 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 41.30 2d5x h LEU 109 CO 0.07 0.88 -0.00 0.00 0.09 0.00 0.00 178.44 179.48 2d5x h ALA 110 N 1.23 0.89 -0.30 1.53 0.00 -0.85 0.12 119.26 121.87 2d5x h ALA 110 Ca 0.19 -0.31 0.04 0.00 0.00 0.00 0.00 54.91 54.84 2d5x h ALA 110 Cb 0.35 -0.22 -0.04 0.00 0.00 0.00 0.00 17.79 17.88 2d5x h ALA 110 CO 0.00 0.66 0.06 0.28 0.00 0.00 0.00 179.25 180.25 2d5x h VAL 111 N 0.94 0.85 0.00 0.00 2.07 -0.87 -3.20 116.25 116.04 2d5x h VAL 111 Ca 0.17 -0.06 -0.09 0.00 0.82 0.00 0.00 66.70 67.55 2d5x h VAL 111 Cb 0.54 0.67 -0.02 0.00 -1.52 0.00 0.00 31.29 30.97 2d5x h VAL 111 CO 0.03 0.03 -1.73 1.41 0.02 0.00 0.00 177.57 177.33 2d5x n HIS 112 N -5.09 0.40 -2.94 1.57 8.25 -0.96 -4.39 115.22 112.06 2d5x n HIS 112 Ca 0.00 0.12 -0.23 0.00 -0.26 0.00 0.00 57.72 57.35 2d5x n HIS 112 Cb 0.13 -0.79 -0.03 0.00 1.12 0.00 0.00 29.99 30.43 2d5x n HIS 112 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 2d5x n LEU 113 N -2.54 3.32 0.14 2.41 4.77 0.40 -4.95 117.00 120.55 2d5x n LEU 113 Ca -0.09 -5.33 0.04 0.00 -0.03 0.00 0.00 56.01 50.60 2d5x n LEU 113 Cb 0.70 -0.13 0.45 0.00 -2.33 0.00 0.00 43.42 42.11 2d5x n LEU 113 CO 0.44 2.28 0.96 1.55 -1.33 0.00 0.00 177.39 181.28 2d5x h PRO 114 N 2.94 0.21 0.00 3.23 0.13 -1.74 -0.61 132.00 136.16 2d5x h PRO 114 Ca 0.13 -0.04 -0.06 0.00 -0.87 0.00 0.00 66.00 65.17 2d5x h PRO 114 Cb 0.72 -0.04 -0.01 0.00 0.13 0.00 0.00 31.00 31.81 2d5x h PRO 114 CO 0.72 0.29 -0.27 -0.91 -0.23 0.00 0.00 178.00 177.59 2d5x h ASN 115 N 0.21 0.00 0.27 1.44 2.35 -1.92 -3.27 115.58 114.66 2d5x h ASN 115 Ca 0.05 0.00 -0.03 0.00 -0.55 0.00 0.00 56.30 55.77 2d5x h ASN 115 Cb 0.25 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.61 2d5x h ASN 115 CO 0.01 0.27 -1.76 0.47 -1.65 0.00 0.00 177.43 174.77 2d5x n ASP 116 N -3.19 0.24 -3.71 5.81 8.00 -0.89 -4.60 116.55 118.21 2d5x n ASP 116 Ca 0.03 0.10 -0.42 0.00 0.71 0.00 0.00 54.79 55.20 2d5x n ASP 116 Cb 0.61 1.48 -0.00 0.00 -0.02 0.00 0.00 41.12 43.19 2d5x n ASP 116 CO 0.00 0.00 0.00 0.33 -0.39 0.00 0.00 177.20 177.14 2d5x n PHE 117 N -2.42 3.20 -1.94 1.24 7.35 -0.29 -4.82 117.46 119.80 2d5x n PHE 117 Ca -0.05 -2.93 -0.29 0.00 -0.76 0.00 0.00 57.45 53.42 2d5x n PHE 117 Cb 0.62 -2.35 0.07 0.00 0.35 0.00 0.00 39.48 38.16 2d5x n PHE 117 CO 0.00 0.00 0.00 0.95 -0.76 0.00 0.00 176.76 176.95 2d5x s THR 118 N 2.13 2.49 0.22 -2.13 -4.23 -1.26 -4.78 115.64 108.07 2d5x s THR 118 Ca 0.48 0.11 -0.08 0.00 -1.18 0.00 0.00 61.69 61.02 2d5x s THR 118 Cb 0.14 -3.15 0.16 0.00 1.34 0.00 0.00 72.50 70.98 2d5x s THR 118 CO -0.06 -0.19 1.81 -0.65 -0.54 0.00 0.00 174.62 174.98 2d5x h PRO 119 N -0.88 0.68 -0.33 3.99 0.11 -1.99 0.15 132.00 133.73 2d5x h PRO 119 Ca -0.46 -0.04 -0.12 0.00 0.11 0.00 0.00 66.00 65.49 2d5x h PRO 119 Cb 1.30 -0.15 -0.01 0.00 0.11 0.00 0.00 31.00 32.25 2d5x h PRO 119 CO 0.65 0.45 -0.30 0.00 -0.21 0.00 0.00 178.00 178.59 2d5x h ALA 120 N 1.37 0.86 -0.25 -0.75 0.00 -1.97 -1.04 119.26 117.48 2d5x h ALA 120 Ca 0.32 -0.40 -0.17 0.00 0.00 0.00 0.00 54.91 54.66 2d5x h ALA 120 Cb 0.23 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 17.88 2d5x h ALA 120 CO -0.20 0.63 -0.53 0.28 0.00 0.00 0.00 179.25 179.43 2d5x h VAL 121 N 0.59 1.29 -0.50 0.00 2.07 -1.80 -1.53 116.25 116.37 2d5x h VAL 121 Ca 0.07 -1.74 0.04 0.00 0.82 0.00 0.00 66.70 65.89 2d5x h VAL 121 Cb 0.80 1.67 -0.04 0.00 -1.52 0.00 0.00 31.29 32.20 2d5x h VAL 121 CO 0.07 0.56 0.27 -0.74 0.02 0.00 0.00 177.57 177.74 2d5x h HIS 122 N 0.57 0.49 -0.33 1.57 6.17 -0.50 0.98 115.15 124.10 2d5x h HIS 122 Ca 0.02 0.02 -0.01 0.00 0.71 0.00 0.00 60.37 61.11 2d5x h HIS 122 Cb 1.11 -0.15 -0.02 0.00 2.52 0.00 0.00 27.41 30.88 2d5x h HIS 122 CO 0.06 0.25 0.18 0.00 0.71 0.00 0.00 177.93 179.14 2d5x h ALA 123 N 1.25 0.42 -0.56 5.26 0.00 -0.99 0.34 119.26 124.97 2d5x h ALA 123 Ca 0.21 -0.07 -0.11 0.00 0.00 0.00 0.00 54.91 54.95 2d5x h ALA 123 Cb 0.10 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.74 2d5x h ALA 123 CO -0.13 -0.06 -0.07 0.77 0.00 0.00 0.00 179.25 179.75 2d5x h SER 124 N 0.41 1.03 -0.46 0.00 0.02 -0.91 -1.74 113.55 111.90 2d5x h SER 124 Ca 0.12 -0.34 -0.08 0.00 -0.84 0.00 0.00 61.79 60.64 2d5x h SER 124 Cb 0.05 -0.28 -0.02 0.00 0.14 0.00 0.00 62.40 62.28 2d5x h SER 124 CO -0.02 1.13 -0.02 -0.07 -1.14 0.00 0.00 176.83 176.71 2d5x h LEU 125 N 0.92 0.86 -0.42 5.07 3.38 -0.62 0.02 115.31 124.53 2d5x h LEU 125 Ca 0.15 -0.23 0.02 0.00 0.09 0.00 0.00 57.88 57.92 2d5x h LEU 125 Cb 0.64 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 41.13 2d5x h LEU 125 CO 0.04 0.93 0.23 -0.78 0.09 0.00 0.00 178.44 178.96 2d5x h ASP 126 N 0.82 0.36 -0.78 -0.43 3.58 -0.76 0.67 116.42 119.87 2d5x h ASP 126 Ca 0.15 0.01 -0.04 0.00 0.42 0.00 0.00 57.03 57.57 2d5x h ASP 126 Cb 0.51 -0.06 -0.03 0.00 1.72 0.00 0.00 39.33 41.46 2d5x h ASP 126 CO 0.03 0.26 0.33 0.11 -2.88 0.00 0.00 179.24 177.09 2d5x h LYS 127 N 0.47 1.15 -0.15 0.28 1.57 -0.94 0.12 116.57 119.07 2d5x h LYS 127 Ca 0.17 -0.20 0.01 0.00 -1.87 0.00 0.00 60.65 58.77 2d5x h LYS 127 Cb 0.04 -0.19 -0.01 0.00 0.08 0.00 0.00 32.23 32.14 2d5x h LYS 127 CO -0.10 0.92 0.07 0.35 -0.57 0.00 0.00 179.45 180.12 2d5x h PHE 128 N 1.12 0.12 -0.16 -1.35 3.57 -0.60 -0.19 116.94 119.45 2d5x h PHE 128 Ca 0.26 0.01 -0.11 0.00 3.53 0.00 0.00 57.97 61.65 2d5x h PHE 128 Cb 0.18 -0.03 -0.01 0.00 2.79 0.00 0.00 35.95 38.88 2d5x h PHE 128 CO 0.02 0.07 -0.40 -0.07 -2.23 0.00 0.00 178.31 175.70 2d5x h LEU 129 N 0.15 0.37 -0.74 0.59 3.38 -0.57 -0.41 115.31 118.07 2d5x h LEU 129 Ca 0.06 -0.16 -0.01 0.00 0.09 0.00 0.00 57.88 57.87 2d5x h LEU 129 Cb 0.02 -0.10 -0.04 0.00 0.09 0.00 0.00 40.66 40.63 2d5x h LEU 129 CO -0.05 0.74 0.43 0.28 0.09 0.00 0.00 178.44 179.92 2d5x h SER 130 N 0.29 0.91 -0.28 -0.43 0.02 -0.69 -0.26 113.55 113.10 2d5x h SER 130 Ca 0.03 -0.08 -0.06 0.00 -0.84 0.00 0.00 61.79 60.84 2d5x h SER 130 Cb 0.84 -0.23 -0.01 0.00 0.14 0.00 0.00 62.40 63.14 2d5x h SER 130 CO 0.07 0.72 -0.07 0.28 -1.14 0.00 0.00 176.83 176.69 2d5x h SER 131 N 1.01 0.54 -0.55 3.07 0.02 -0.30 0.20 113.55 117.55 2d5x h SER 131 Ca 0.26 -0.36 0.03 0.00 -0.84 0.00 0.00 61.79 60.88 2d5x h SER 131 Cb -0.00 -0.15 -0.04 0.00 0.14 0.00 0.00 62.40 62.35 2d5x h SER 131 CO -0.05 0.78 0.31 0.58 -1.14 0.00 0.00 176.83 177.32 2d5x h VAL 132 N 0.30 1.02 -0.70 2.27 2.07 -1.01 -1.92 116.25 118.28 2d5x h VAL 132 Ca 0.07 -0.21 -0.06 0.00 0.82 0.00 0.00 66.70 67.32 2d5x h VAL 132 Cb 0.54 0.35 -0.03 0.00 -1.52 0.00 0.00 31.29 30.64 2d5x h VAL 132 CO 0.03 0.11 0.18 0.28 0.02 0.00 0.00 177.57 178.19 2d5x h SER 133 N 0.61 1.04 -0.23 0.57 0.02 -0.67 -0.41 113.55 114.48 2d5x h SER 133 Ca 0.23 -0.21 0.00 0.00 -0.84 0.00 0.00 61.79 60.97 2d5x h SER 133 Cb 0.07 -0.27 -0.01 0.00 0.14 0.00 0.00 62.40 62.33 2d5x h SER 133 CO -0.12 0.99 0.15 0.74 -1.14 0.00 0.00 176.83 177.44 2d5x h THR 134 N 1.05 1.07 -0.54 -2.27 2.02 -0.61 -1.06 112.91 112.56 2d5x h THR 134 Ca 0.22 -0.14 -0.03 0.00 0.77 0.00 0.00 66.41 67.24 2d5x h THR 134 Cb 0.35 0.75 -0.02 0.00 -1.74 0.00 0.00 68.15 67.49 2d5x h THR 134 CO -0.00 0.06 0.23 0.58 0.37 0.00 0.00 175.52 176.77 2d5x h VAL 135 N 0.30 1.21 0.00 3.16 2.07 -1.06 -2.36 116.25 119.57 2d5x h VAL 135 Ca 0.08 -0.64 0.00 0.00 0.82 0.00 0.00 66.70 66.96 2d5x h VAL 135 Cb -0.02 0.63 0.00 0.00 -1.52 0.00 0.00 31.29 30.38 2d5x h VAL 135 CO -0.02 0.25 0.00 -0.07 0.02 0.00 0.00 177.57 177.75 2d5x h LEU 136 N 0.74 0.00 -2.94 2.57 3.38 -0.64 -1.40 115.31 117.01 2d5x h LEU 136 Ca 0.18 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.15 2d5x h LEU 136 Cb 0.17 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.92 2d5x h LEU 136 CO -0.02 0.00 0.00 0.35 0.09 0.00 0.00 178.44 178.86 2d5x n THR 137 N -2.68 1.27 0.84 0.22 -2.24 -0.44 -4.28 114.28 106.96 2d5x n THR 137 Ca -0.00 -1.14 0.13 0.00 -2.27 0.00 0.00 64.05 60.77 2d5x n THR 137 Cb 0.18 0.35 0.39 0.00 -2.10 0.00 0.00 70.33 69.15 2d5x n THR 137 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 2d5x n SER 138 N 0.65 0.44 -0.53 3.42 3.41 -0.53 -3.77 113.62 116.71 2d5x n SER 138 Ca 0.17 0.25 0.12 0.00 -0.26 0.00 0.00 58.87 59.14 2d5x n SER 138 Cb 0.58 -0.23 0.43 0.00 -0.26 0.00 0.00 64.21 64.72 2d5x n SER 138 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 2d5x n LYS 139 N -1.78 1.71 -1.94 4.33 4.01 -1.26 -4.88 118.16 118.35 2d5x n LYS 139 Ca 0.06 -1.05 -0.42 0.00 -0.51 0.00 0.00 58.31 56.38 2d5x n LYS 139 Cb 0.38 -1.43 -0.03 0.00 -0.51 0.00 0.00 35.03 33.45 2d5x n LYS 139 CO 0.00 0.00 0.00 0.71 -1.11 0.00 0.00 177.40 177.00 2d5x s TYR 140 N -1.86 1.96 -2.00 2.13 1.51 -1.25 -4.73 117.35 113.11 2d5x s TYR 140 Ca 0.34 0.12 0.12 0.00 -1.01 0.00 0.00 57.07 56.64 2d5x s TYR 140 Cb 0.19 -3.98 0.73 0.00 -0.11 0.00 0.00 41.96 38.79 2d5x s TYR 140 CO 0.29 -4.13 1.16 2.89 -1.11 0.00 0.00 175.55 174.65