#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3iud h ARG 5 N 0.00 1.15 -5.17 -1.08 2.47 -1.94 -3.40 114.38 106.41 3iud h ARG 5 Ca 0.00 -0.13 -0.65 0.00 -1.26 0.00 0.00 59.98 57.94 3iud h ARG 5 Cb 0.00 -0.23 -0.24 0.00 -1.65 0.00 0.00 29.97 27.85 3iud h ARG 5 CO 0.00 0.84 -0.69 0.42 0.56 0.00 0.00 179.97 181.10 3iud s ILE 6 N -5.85 3.70 0.01 2.04 -1.09 -1.26 -5.03 121.20 113.71 3iud s ILE 6 Ca -0.13 -0.41 -0.36 0.00 -2.23 0.00 0.00 60.65 57.53 3iud s ILE 6 Cb 0.16 -2.65 -0.14 0.00 -1.58 0.00 0.00 42.46 38.25 3iud s ILE 6 CO 0.81 0.46 1.64 0.00 -1.23 0.00 0.00 174.94 176.62 3iud n ALA 7 N 4.07 0.49 -0.16 9.38 0.00 -1.26 -4.86 120.51 128.18 3iud n ALA 7 Ca -0.18 0.40 0.10 0.00 0.00 0.00 0.00 53.44 53.77 3iud n ALA 7 Cb 0.52 -2.32 0.42 0.00 0.00 0.00 0.00 19.45 18.07 3iud n ALA 7 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.50 179.46 3iud h GLN 8 N 6.79 0.59 0.00 0.00 4.20 -1.97 0.18 115.11 124.90 3iud h GLN 8 Ca -0.47 -0.04 -0.06 0.00 0.06 0.00 0.00 58.65 58.14 3iud h GLN 8 Cb 1.29 -0.13 -0.01 0.00 0.30 0.00 0.00 27.48 28.93 3iud h GLN 8 CO 0.89 0.39 -0.30 0.38 -0.67 0.00 0.00 178.83 179.52 3iud h ASP 9 N 0.60 0.00 0.04 1.46 3.04 -1.99 0.79 116.42 120.36 3iud h ASP 9 Ca 0.32 0.00 -0.00 0.00 -3.24 0.00 0.00 57.03 54.11 3iud h ASP 9 Cb 0.46 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 38.75 3iud h ASP 9 CO -0.11 0.30 -0.02 0.58 -2.04 0.00 0.00 179.24 177.95 3iud h VAL 10 N 0.00 1.25 -0.59 4.15 2.07 -1.33 0.44 116.25 122.24 3iud h VAL 10 Ca -0.00 -0.93 0.05 0.00 0.82 0.00 0.00 66.70 66.63 3iud h VAL 10 Cb 0.54 1.86 -0.05 0.00 -1.52 0.00 0.00 31.29 32.12 3iud h VAL 10 CO 0.04 0.24 0.32 0.58 0.02 0.00 0.00 177.57 178.77 3iud h VAL 11 N -0.46 0.99 0.26 2.57 2.07 -1.11 -0.07 116.25 120.50 3iud h VAL 11 Ca -0.01 -0.21 -0.00 0.00 0.82 0.00 0.00 66.70 67.30 3iud h VAL 11 Cb 0.42 0.31 -0.01 0.00 -1.52 0.00 0.00 31.29 30.50 3iud h VAL 11 CO 0.01 0.11 -0.19 0.00 0.02 0.00 0.00 177.57 177.53 3iud h ALA 12 N 1.30 -0.43 -0.16 1.67 0.00 -0.74 0.25 119.26 121.15 3iud h ALA 12 Ca 0.25 -0.08 0.04 0.00 0.00 0.00 0.00 54.91 55.13 3iud h ALA 12 Cb 0.13 0.24 -0.04 0.00 0.00 0.00 0.00 17.79 18.11 3iud h ALA 12 CO -0.15 -0.76 -0.12 -0.09 0.00 0.00 0.00 179.25 178.13 3iud h ARG 13 N -0.44 -0.12 -0.53 0.00 2.43 -0.56 -1.07 114.38 114.09 3iud h ARG 13 Ca -0.02 0.01 -0.03 0.00 -0.81 0.00 0.00 59.98 59.13 3iud h ARG 13 Cb 0.38 0.03 -0.03 0.00 -0.42 0.00 0.00 29.97 29.94 3iud h ARG 13 CO 0.00 -0.08 0.19 0.93 -1.51 0.00 0.00 179.97 179.50 3iud h GLU 14 N -0.13 0.77 -0.33 0.20 4.39 -0.77 -1.91 114.58 116.80 3iud h GLU 14 Ca 0.10 -0.12 -0.16 0.00 0.34 0.00 0.00 59.36 59.51 3iud h GLU 14 Cb 0.27 -0.13 -0.01 0.00 -0.10 0.00 0.00 28.75 28.78 3iud h GLU 14 CO -0.23 0.65 -0.43 -0.91 -1.16 0.00 0.00 179.01 176.93 3iud h ASN 15 N 0.76 0.91 -0.26 1.42 -0.26 -0.11 -3.22 115.58 114.81 3iud h ASN 15 Ca 0.18 -0.43 -0.02 0.00 -0.56 0.00 0.00 56.30 55.47 3iud h ASN 15 Cb 0.19 -0.26 -0.01 0.00 -1.06 0.00 0.00 38.32 37.18 3iud h ASN 15 CO -0.01 1.21 0.10 -0.78 -1.06 0.00 0.00 177.43 176.88 3iud h ASP 16 N 0.68 0.37 -0.28 5.81 -0.00 -0.88 -1.04 116.42 121.08 3iud h ASP 16 Ca 0.05 -0.18 0.08 0.00 -0.00 0.00 0.00 57.03 56.98 3iud h ASP 16 Cb 1.01 -0.10 -0.01 0.00 -0.00 0.00 0.00 39.33 40.23 3iud h ASP 16 CO 0.10 0.45 0.44 -0.09 -0.00 0.00 0.00 179.24 180.14 3iud h ARG 17 N 0.27 0.00 -0.01 0.28 2.43 -1.37 -1.15 114.38 114.83 3iud h ARG 17 Ca 0.09 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.26 3iud h ARG 17 Cb 0.20 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.75 3iud h ARG 17 CO -0.01 0.00 -0.18 0.54 -1.51 0.00 0.00 179.97 178.81 3iud n ARG 18 N -3.39 2.23 -0.14 0.20 1.74 -0.96 -4.72 116.66 111.63 3iud n ARG 18 Ca 0.04 -0.54 -0.04 0.00 -0.77 0.00 0.00 57.85 56.54 3iud n ARG 18 Cb 0.58 -1.03 0.02 0.00 -1.02 0.00 0.00 32.46 31.01 3iud n ARG 18 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3iud h ALA 19 N 1.46 0.23 -0.19 7.54 0.00 0.12 -0.10 119.26 128.32 3iud h ALA 19 Ca 0.00 0.17 0.04 0.00 0.00 0.00 0.00 54.91 55.12 3iud h ALA 19 Cb 0.29 0.41 -0.04 0.00 0.00 0.00 0.00 17.79 18.44 3iud h ALA 19 CO 0.00 -0.49 -0.06 1.03 0.00 0.00 0.00 179.25 179.73 3iud h SER 20 N -0.05 -0.22 -0.46 0.00 0.87 -1.85 0.01 113.55 111.85 3iud h SER 20 Ca 0.21 0.06 -0.06 0.00 -1.23 0.00 0.00 61.79 60.78 3iud h SER 20 Cb 0.38 0.14 -0.02 0.00 -0.44 0.00 0.00 62.40 62.45 3iud h SER 20 CO -0.48 -0.08 0.08 0.00 -0.53 0.00 0.00 176.83 175.82 3iud h ALA 21 N 1.17 1.16 -0.10 6.23 0.00 -1.76 -2.74 119.26 123.20 3iud h ALA 21 Ca 0.10 -0.23 -0.01 0.00 0.00 0.00 0.00 54.91 54.77 3iud h ALA 21 Cb 0.17 -0.21 -0.00 0.00 0.00 0.00 0.00 17.79 17.74 3iud h ALA 21 CO -0.21 0.56 0.04 1.25 0.00 0.00 0.00 179.25 180.89 3iud h LEU 22 N 0.79 0.14 -0.85 0.00 5.85 -0.35 -2.49 115.31 118.40 3iud h LEU 22 Ca 0.17 -0.17 0.11 0.00 0.84 0.00 0.00 57.88 58.83 3iud h LEU 22 Cb 0.36 -0.04 -0.08 0.00 0.37 0.00 0.00 40.66 41.27 3iud h LEU 22 CO 0.01 0.27 0.48 0.50 -0.34 0.00 0.00 178.44 179.36 3iud h LYS 23 N 0.00 0.74 0.20 1.25 3.64 -0.87 0.52 116.57 122.05 3iud h LYS 23 Ca 0.03 -0.04 -0.01 0.00 -1.27 0.00 0.00 60.65 59.36 3iud h LYS 23 Cb 0.17 -0.17 0.00 0.00 -0.41 0.00 0.00 32.23 31.83 3iud h LYS 23 CO -0.00 0.49 -0.09 0.93 -2.27 0.00 0.00 179.45 178.50 3iud h GLU 24 N 0.76 -0.26 -0.68 1.90 4.39 -1.35 -1.74 114.58 117.60 3iud h GLU 24 Ca 0.43 0.02 -0.01 0.00 0.34 0.00 0.00 59.36 60.13 3iud h GLU 24 Cb 0.47 0.06 -0.03 0.00 -0.10 0.00 0.00 28.75 29.14 3iud h GLU 24 CO -0.28 0.05 0.38 -0.44 -1.16 0.00 0.00 179.01 177.56 3iud h ASP 25 N -0.57 0.84 -0.04 1.42 3.32 -1.16 -0.46 116.42 119.77 3iud h ASP 25 Ca -0.03 -0.09 -0.01 0.00 0.02 0.00 0.00 57.03 56.93 3iud h ASP 25 Cb 0.42 -0.21 -0.00 0.00 0.22 0.00 0.00 39.33 39.76 3iud h ASP 25 CO 0.04 0.68 0.00 0.22 -1.72 0.00 0.00 179.24 178.47 3iud h TYR 26 N 0.93 0.07 -0.25 4.55 3.20 -0.94 -0.33 116.97 124.19 3iud h TYR 26 Ca 0.24 -0.01 -0.06 0.00 3.14 0.00 0.00 58.73 62.04 3iud h TYR 26 Cb 0.02 -0.02 -0.01 0.00 1.54 0.00 0.00 36.73 38.26 3iud h TYR 26 CO -0.01 0.34 -0.12 0.93 -1.64 0.00 0.00 178.16 177.67 3iud h GLU 27 N -0.22 0.41 -0.23 1.82 5.08 -1.25 0.56 114.58 120.76 3iud h GLU 27 Ca 0.01 -0.11 -0.05 0.00 -1.00 0.00 0.00 59.36 58.22 3iud h GLU 27 Cb 0.31 -0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.50 3iud h GLU 27 CO 0.00 0.54 -0.03 0.00 -1.00 0.00 0.00 179.01 178.52 3iud h ALA 28 N 1.49 0.32 -0.57 3.43 0.00 -0.98 -1.64 119.26 121.31 3iud h ALA 28 Ca 0.08 -0.24 -0.03 0.00 0.00 0.00 0.00 54.91 54.71 3iud h ALA 28 Cb 0.45 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 18.13 3iud h ALA 28 CO 0.03 0.08 0.24 1.25 0.00 0.00 0.00 179.25 180.85 3iud h LEU 29 N 0.18 0.74 -0.28 0.00 5.85 -0.41 -1.74 115.31 119.65 3iud h LEU 29 Ca 0.06 -0.09 -0.01 0.00 0.84 0.00 0.00 57.88 58.68 3iud h LEU 29 Cb 0.47 -0.19 -0.01 0.00 0.37 0.00 0.00 40.66 41.30 3iud h LEU 29 CO 0.02 0.66 0.13 1.23 -0.34 0.00 0.00 178.44 180.14 3iud h GLY 30 N 0.93 0.43 0.99 3.75 0.00 0.43 0.35 103.07 109.95 3iud h GLY 30 Ca 0.19 -0.22 -0.01 0.00 0.00 0.00 0.00 47.33 47.30 3iud h GLY 30 CO -0.02 0.21 0.33 0.00 0.00 0.00 0.00 176.54 177.06 3iud h ALA 31 N 0.98 0.74 -0.59 3.60 0.00 -0.97 0.16 119.26 123.18 3iud h ALA 31 Ca 0.09 -0.09 -0.04 0.00 0.00 0.00 0.00 54.91 54.88 3iud h ALA 31 Cb 0.13 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 17.67 3iud h ALA 31 CO -0.01 0.25 0.21 -0.97 0.00 0.00 0.00 179.25 178.73 3iud h ASN 32 N 0.78 0.83 -0.38 0.00 -0.73 -1.14 -1.66 115.58 113.28 3iud h ASN 32 Ca 0.21 -0.19 -0.11 0.00 1.87 0.00 0.00 56.30 58.08 3iud h ASN 32 Cb 0.02 -0.22 -0.02 0.00 0.27 0.00 0.00 38.32 38.38 3iud h ASN 32 CO -0.04 0.79 -0.17 -0.07 -0.37 0.00 0.00 177.43 177.58 3iud h LEU 33 N 0.82 0.86 -0.76 0.34 3.38 -0.61 -2.72 115.31 116.61 3iud h LEU 33 Ca 0.19 -0.29 0.03 0.00 0.09 0.00 0.00 57.88 57.91 3iud h LEU 33 Cb 0.24 -0.23 -0.05 0.00 0.09 0.00 0.00 40.66 40.71 3iud h LEU 33 CO -0.01 1.02 0.48 0.00 0.09 0.00 0.00 178.44 180.01 3iud h ALA 34 N 1.05 1.00 0.00 1.53 0.00 -0.59 0.26 119.26 122.52 3iud h ALA 34 Ca 0.11 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.99 3iud h ALA 34 Cb 0.69 -0.24 -0.00 0.00 0.00 0.00 0.00 17.79 18.24 3iud h ALA 34 CO 0.05 0.27 -0.03 0.00 0.00 0.00 0.00 179.25 179.54 3iud h ARG 35 N 0.93 0.00 -0.50 0.00 3.08 -1.01 -0.22 114.38 116.66 3iud h ARG 35 Ca 0.31 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.36 3iud h ARG 35 Cb 0.04 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.09 3iud h ARG 35 CO -0.12 0.03 0.00 0.54 -1.07 0.00 0.00 179.97 179.35 3iud n ARG 36 N -3.39 2.48 -1.00 0.04 1.74 0.74 -4.94 116.66 112.33 3iud n ARG 36 Ca -0.02 -2.26 0.00 0.00 -0.77 0.00 0.00 57.85 54.80 3iud n ARG 36 Cb 0.15 -1.51 0.00 0.00 -1.02 0.00 0.00 32.46 30.07 3iud n ARG 36 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3iud n GLY 37 N 1.51 0.41 3.41 -0.13 0.00 -0.09 -5.04 105.19 105.25 3iud n GLY 37 Ca 0.21 -0.87 -0.33 0.00 0.00 0.00 0.00 46.02 45.03 3iud n GLY 37 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3iud s VAL 38 N -2.00 3.23 -0.46 1.61 1.01 -0.06 -4.98 120.40 118.75 3iud s VAL 38 Ca 0.00 -0.60 -0.24 0.00 0.00 0.00 0.00 61.98 61.14 3iud s VAL 38 Cb 0.00 -2.36 0.03 0.00 0.00 0.00 0.00 36.38 34.05 3iud s VAL 38 CO 0.00 0.52 0.83 -0.62 0.00 0.00 0.00 175.10 175.83 3iud s ASP 39 N 0.26 6.43 0.38 3.32 -1.08 -1.26 -3.08 116.67 121.64 3iud s ASP 39 Ca -0.08 -0.07 0.05 0.00 -0.52 0.00 0.00 52.55 51.93 3iud s ASP 39 Cb -0.15 -2.40 0.75 0.00 -1.46 0.00 0.00 42.92 39.65 3iud s ASP 39 CO 0.05 -0.96 2.01 -0.29 0.52 0.00 0.00 175.17 176.50 3iud h ILE 40 N 6.01 1.10 -0.69 4.11 2.10 -1.93 -2.53 117.51 125.68 3iud h ILE 40 Ca -0.25 -0.25 0.03 0.00 1.08 0.00 0.00 64.86 65.48 3iud h ILE 40 Cb 1.08 0.31 -0.04 0.00 -1.09 0.00 0.00 36.82 37.08 3iud h ILE 40 CO 0.98 0.13 0.43 -0.33 -1.08 0.00 0.00 178.15 178.29 3iud h GLU 41 N 0.72 0.81 -0.25 2.19 4.39 -1.99 0.32 114.58 120.78 3iud h GLU 41 Ca 0.23 -0.05 -0.02 0.00 0.34 0.00 0.00 59.36 59.86 3iud h GLU 41 Cb 0.03 -0.18 -0.01 0.00 -0.10 0.00 0.00 28.75 28.48 3iud h GLU 41 CO -0.06 0.54 0.05 0.00 -1.16 0.00 0.00 179.01 178.38 3iud h ALA 42 N 1.30 1.63 -0.11 3.43 0.00 -1.88 0.78 119.26 124.41 3iud h ALA 42 Ca 0.28 -0.11 -0.14 0.00 0.00 0.00 0.00 54.91 54.94 3iud h ALA 42 Cb 0.03 -0.11 0.01 0.00 0.00 0.00 0.00 17.79 17.72 3iud h ALA 42 CO -0.11 0.29 -0.49 0.28 0.00 0.00 0.00 179.25 179.22 3iud h VAL 43 N 0.35 1.36 -0.52 0.00 2.07 -1.15 -2.83 116.25 115.53 3iud h VAL 43 Ca 0.09 -1.80 -0.06 0.00 0.82 0.00 0.00 66.70 65.75 3iud h VAL 43 Cb 0.16 2.16 -0.02 0.00 -1.52 0.00 0.00 31.29 32.06 3iud h VAL 43 CO -0.00 0.54 0.08 0.74 0.02 0.00 0.00 177.57 178.95 3iud h THR 44 N 0.14 1.23 -0.80 2.57 2.02 -0.52 -1.03 112.91 116.51 3iud h THR 44 Ca -0.03 -0.87 -0.02 0.00 0.77 0.00 0.00 66.41 66.26 3iud h THR 44 Cb 1.13 0.74 -0.04 0.00 -1.74 0.00 0.00 68.15 68.24 3iud h THR 44 CO 0.10 0.32 0.42 0.00 0.37 0.00 0.00 175.52 176.73 3iud h ALA 45 N 1.32 1.23 0.06 6.16 0.00 -0.82 -1.48 119.26 125.73 3iud h ALA 45 Ca 0.16 -0.13 -0.27 0.00 0.00 0.00 0.00 54.91 54.67 3iud h ALA 45 Cb 0.35 -0.32 0.02 0.00 0.00 0.00 0.00 17.79 17.84 3iud h ALA 45 CO 0.01 0.61 -1.12 0.87 0.00 0.00 0.00 179.25 179.61 3iud h LYS 46 N 1.12 0.55 -0.36 0.00 1.57 -1.20 -3.32 116.57 114.92 3iud h LYS 46 Ca 0.28 -0.67 -0.00 0.00 -1.87 0.00 0.00 60.65 58.38 3iud h LYS 46 Cb 0.06 0.21 -0.02 0.00 0.08 0.00 0.00 32.23 32.56 3iud h LYS 46 CO -0.04 1.28 0.22 0.28 -0.57 0.00 0.00 179.45 180.61 3iud h VAL 47 N 0.27 1.13 0.00 0.50 2.07 -1.00 -2.33 116.25 116.89 3iud h VAL 47 Ca -0.14 -0.30 0.00 0.00 0.82 0.00 0.00 66.70 67.08 3iud h VAL 47 Cb 1.78 0.67 0.00 0.00 -1.52 0.00 0.00 31.29 32.22 3iud h VAL 47 CO 0.21 0.13 0.00 -1.84 0.02 0.00 0.00 177.57 176.08 3iud n GLU 48 N -4.79 0.01 -0.10 1.57 0.28 -0.57 -1.15 120.64 115.89 3iud n GLU 48 Ca -0.00 0.40 0.04 0.00 -0.16 0.00 0.00 57.16 57.43 3iud n GLU 48 Cb 0.06 -1.50 0.09 0.00 1.43 0.00 0.00 31.44 31.52 3iud n GLU 48 CO 0.00 0.00 0.00 1.63 -0.16 0.00 0.00 177.13 178.60 3iud n LYS 49 N -1.45 2.62 -3.07 3.44 5.02 -0.89 -4.96 118.16 118.88 3iud n LYS 49 Ca 0.01 -1.76 -0.41 0.00 -2.02 0.00 0.00 58.31 54.13 3iud n LYS 49 Cb 0.04 -1.17 -0.06 0.00 -0.02 0.00 0.00 35.03 33.82 3iud n LYS 49 CO 0.00 0.00 0.00 0.12 -0.52 0.00 0.00 177.40 177.00 3iud s PHE 50 N -0.96 3.23 0.05 2.13 5.36 -0.30 -5.04 117.98 122.46 3iud s PHE 50 Ca 0.14 0.72 0.09 0.00 -0.96 0.00 0.00 56.93 56.92 3iud s PHE 50 Cb 0.08 -3.00 -0.03 0.00 -0.34 0.00 0.00 43.02 39.73 3iud s PHE 50 CO 0.10 -0.45 -0.23 -0.06 -1.46 0.00 0.00 175.22 173.12 3iud s PHE 51 N 2.66 2.41 -0.02 10.12 0.08 -1.26 -4.73 117.98 127.24 3iud s PHE 51 Ca 0.27 -0.35 0.03 0.00 0.12 0.00 0.00 56.93 57.01 3iud s PHE 51 Cb -0.15 -1.40 -0.00 0.00 -0.57 0.00 0.00 43.02 40.90 3iud s PHE 51 CO 0.11 0.20 -0.11 0.54 -0.10 0.00 0.00 175.22 175.86 3iud s VAL 52 N -0.88 0.91 0.48 -0.44 0.11 -0.43 -4.78 120.40 115.37 3iud s VAL 52 Ca 0.13 -0.47 -0.20 0.00 -2.93 0.00 0.00 61.98 58.51 3iud s VAL 52 Cb -0.10 -0.78 -0.09 0.00 -1.53 0.00 0.00 36.38 33.88 3iud s VAL 52 CO 0.04 0.27 1.03 0.00 -3.33 0.00 0.00 175.10 173.10 3iud s ALA 53 N -0.11 2.89 -0.13 1.54 0.00 0.17 -4.22 121.76 121.91 3iud s ALA 53 Ca 0.02 0.58 -0.02 0.00 0.00 0.00 0.00 51.96 52.54 3iud s ALA 53 Cb -0.06 -3.24 -0.03 0.00 0.00 0.00 0.00 23.12 19.79 3iud s ALA 53 CO 0.00 -0.25 -0.06 0.08 0.00 0.00 0.00 175.76 175.52 3iud s VAL 54 N -2.01 3.68 -0.02 0.00 1.01 -0.81 -0.91 120.40 121.34 3iud s VAL 54 Ca 0.67 -0.45 -0.30 0.00 0.00 0.00 0.00 61.98 61.90 3iud s VAL 54 Cb -0.15 -2.57 -0.03 0.00 0.00 0.00 0.00 36.38 33.62 3iud s VAL 54 CO 0.19 0.52 1.12 -2.16 0.00 0.00 0.00 175.10 174.77 3iud s PRO 55 N 0.08 4.43 0.44 2.72 0.04 -1.25 -1.22 135.00 140.26 3iud s PRO 55 Ca -0.02 1.59 0.16 0.00 0.04 0.00 0.00 61.00 62.77 3iud s PRO 55 Cb -0.14 -3.47 1.08 0.00 0.04 0.00 0.00 34.50 32.01 3iud s PRO 55 CO 0.03 -0.28 1.96 0.66 0.04 0.00 0.00 177.00 179.41 3iud h SER 56 N 7.06 0.33 0.01 6.66 4.64 -1.57 0.26 113.55 130.94 3iud h SER 56 Ca -0.37 0.01 0.00 0.00 -0.47 0.00 0.00 61.79 60.96 3iud h SER 56 Cb 1.19 -0.06 0.00 0.00 -0.31 0.00 0.00 62.40 63.22 3iud h SER 56 CO 0.83 0.19 -0.00 -2.67 -0.87 0.00 0.00 176.83 174.30 3iud n TRP 57 N -4.46 0.00 0.61 4.77 2.14 -1.26 -3.51 117.44 115.73 3iud n TRP 57 Ca 0.11 0.00 0.12 0.00 2.07 0.00 0.00 57.50 59.80 3iud n TRP 57 Cb 0.46 -0.01 0.14 0.00 -0.81 0.00 0.00 31.31 31.08 3iud n TRP 57 CO 0.00 0.00 0.00 0.41 2.07 0.00 0.00 177.69 180.17 3iud n GLY 58 N 1.05 -1.34 0.01 -1.67 0.00 0.08 -4.00 105.19 99.32 3iud n GLY 58 Ca 0.23 -0.30 0.14 0.00 0.00 0.00 0.00 46.02 46.08 3iud n GLY 58 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87 3iud n VAL 59 N -2.00 0.00 -4.02 1.61 3.14 -1.23 -4.72 118.33 111.10 3iud n VAL 59 Ca 0.03 -0.01 -0.24 0.00 -2.96 0.00 0.00 64.34 61.17 3iud n VAL 59 Cb 0.43 -0.42 -0.04 0.00 -1.06 0.00 0.00 33.84 32.75 3iud n VAL 59 CO 0.00 0.00 0.00 -0.83 -6.46 0.00 0.00 176.83 169.54 3iud s GLY 60 N -2.74 1.52 0.11 7.55 0.00 -1.26 -4.62 107.32 107.88 3iud s GLY 60 Ca 0.22 -1.21 -0.31 0.00 0.00 0.00 0.00 44.72 43.43 3iud s GLY 60 CO 0.50 -1.22 1.33 -1.59 0.00 0.00 0.00 173.10 172.11 3iud s THR 61 N -1.89 3.49 0.64 0.90 2.01 -1.26 -4.63 115.64 114.90 3iud s THR 61 Ca 0.33 1.09 -0.00 0.00 0.31 0.00 0.00 61.69 63.41 3iud s THR 61 Cb -0.10 -3.70 0.08 0.00 0.01 0.00 0.00 72.50 68.80 3iud s THR 61 CO 0.27 0.09 0.90 -0.83 -0.69 0.00 0.00 174.62 174.36 3iud s GLY 62 N 1.00 1.78 0.37 4.40 0.00 0.04 -4.89 107.32 110.02 3iud s GLY 62 Ca 0.62 -1.49 -0.05 0.00 0.00 0.00 0.00 44.72 43.80 3iud s GLY 62 CO 0.31 -1.06 0.57 -0.32 0.00 0.00 0.00 173.10 172.60 3iud s GLY 63 N -4.58 1.28 0.45 0.20 0.00 -1.26 -4.07 107.32 99.33 3iud s GLY 63 Ca 0.62 -1.37 0.02 0.00 0.00 0.00 0.00 44.72 44.00 3iud s GLY 63 CO 0.42 -0.83 0.21 -1.30 0.00 0.00 0.00 173.10 171.59 3iud n THR 64 N -0.58 0.00 0.37 0.90 -2.24 -0.41 -4.99 114.28 107.33 3iud n THR 64 Ca -0.02 -1.91 0.12 0.00 -2.27 0.00 0.00 64.05 59.98 3iud n THR 64 Cb 0.61 0.10 0.51 0.00 -2.10 0.00 0.00 70.33 69.45 3iud n THR 64 CO 0.00 0.00 0.00 -2.11 -0.57 0.00 0.00 175.07 172.39 3iud n ARG 65 N -1.37 0.20 0.05 -0.78 1.85 -1.26 -2.84 116.66 112.51 3iud n ARG 65 Ca -0.08 0.45 -0.13 0.00 -1.00 0.00 0.00 57.85 57.09 3iud n ARG 65 Cb 0.53 -1.91 -0.14 0.00 -1.05 0.00 0.00 32.46 29.90 3iud n ARG 65 CO 0.00 0.00 0.00 0.74 -0.01 0.00 0.00 177.63 178.36 3iud h PHE 66 N 0.00 0.26 -1.03 2.89 0.04 -2.06 -3.49 116.94 113.56 3iud h PHE 66 Ca 0.00 -0.19 0.38 0.00 2.80 0.00 0.00 57.97 60.96 3iud h PHE 66 Cb 0.34 -0.01 -0.16 0.00 2.20 0.00 0.00 35.95 38.32 3iud h PHE 66 CO 0.00 1.23 0.99 0.00 -0.60 0.00 0.00 178.31 179.92 3iud s ALA 67 N -2.63 -2.43 -0.05 2.45 0.00 -1.13 -5.15 121.76 112.83 3iud s ALA 67 Ca -0.06 1.23 0.00 0.00 0.00 0.00 0.00 51.96 53.13 3iud s ALA 67 Cb 0.08 0.05 0.03 0.00 0.00 0.00 0.00 23.12 23.28 3iud s ALA 67 CO 0.84 -0.92 -0.02 0.50 0.00 0.00 0.00 175.76 176.16 3iud s ARG 68 N -2.03 0.58 -0.70 0.00 3.52 -1.26 -1.29 118.95 117.77 3iud s ARG 68 Ca 0.14 0.02 0.01 0.00 -0.13 0.00 0.00 55.73 55.77 3iud s ARG 68 Cb 0.05 -0.75 0.17 0.00 -1.56 0.00 0.00 34.95 32.87 3iud s ARG 68 CO -0.06 -0.16 0.51 -0.06 -0.81 0.00 0.00 175.30 174.73 3iud s PHE 69 N 1.25 3.54 0.62 5.12 0.08 -1.26 -5.05 117.98 122.28 3iud s PHE 69 Ca -0.06 -3.07 -0.18 0.00 0.12 0.00 0.00 56.93 53.74 3iud s PHE 69 Cb -0.13 -3.00 -0.02 0.00 -0.57 0.00 0.00 43.02 39.29 3iud s PHE 69 CO -0.02 -0.71 1.21 -1.25 -0.10 0.00 0.00 175.22 174.35 3iud s PRO 70 N -0.86 2.84 0.00 0.24 0.04 -1.26 -4.92 135.00 131.08 3iud s PRO 70 Ca 0.22 1.80 0.00 0.00 0.04 0.00 0.00 61.00 63.06 3iud s PRO 70 Cb -0.13 -1.91 0.00 0.00 0.04 0.00 0.00 34.50 32.49 3iud s PRO 70 CO -0.09 -1.30 0.00 0.41 0.04 0.00 0.00 177.00 176.06 3iud n GLY 71 N 0.45 1.54 3.90 0.56 0.00 -1.26 -5.10 105.19 105.28 3iud n GLY 71 Ca 0.14 -2.00 -0.28 0.00 0.00 0.00 0.00 46.02 43.88 3iud n GLY 71 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3iud s THR 72 N 1.59 4.88 -1.47 2.61 -4.23 -1.26 -4.30 115.64 113.46 3iud s THR 72 Ca 0.00 0.31 -0.04 0.00 -1.18 0.00 0.00 61.69 60.78 3iud s THR 72 Cb 0.00 -3.84 0.02 0.00 1.34 0.00 0.00 72.50 70.02 3iud s THR 72 CO 0.00 -0.79 0.37 0.61 -0.54 0.00 0.00 174.62 174.27 3iud n GLY 73 N -2.07 -0.51 3.73 3.99 0.00 -1.26 -4.77 105.19 104.30 3iud n GLY 73 Ca 0.01 0.08 -0.42 0.00 0.00 0.00 0.00 46.02 45.69 3iud n GLY 73 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3iud n GLU 74 N -3.59 2.45 -1.74 1.61 -0.58 -1.26 -4.70 120.64 112.82 3iud n GLU 74 Ca -0.13 0.86 -0.42 0.00 -0.42 0.00 0.00 57.16 57.06 3iud n GLU 74 Cb 0.62 -2.55 -0.02 0.00 -0.57 0.00 0.00 31.44 28.92 3iud n GLU 74 CO 0.00 0.00 0.00 -0.35 -0.48 0.00 0.00 177.13 176.30 3iud n PRO 75 N 1.07 2.70 0.09 3.49 -0.04 -1.26 -4.87 135.00 136.17 3iud n PRO 75 Ca 0.05 0.96 -0.08 0.00 -0.04 0.00 0.00 63.50 64.39 3iud n PRO 75 Cb 0.37 -2.74 -0.00 0.00 -0.04 0.00 0.00 33.50 31.08 3iud n PRO 75 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3iud h ARG 76 N 4.80 0.18 0.00 0.54 3.08 -1.93 -3.48 114.38 117.58 3iud h ARG 76 Ca -0.47 -0.20 0.00 0.00 0.07 0.00 0.00 59.98 59.38 3iud h ARG 76 Cb 1.22 0.06 0.00 0.00 0.08 0.00 0.00 29.97 31.33 3iud h ARG 76 CO 0.79 0.94 0.00 0.41 -1.07 0.00 0.00 179.97 181.04 3iud n GLY 77 N 0.84 2.03 0.36 0.04 0.00 -1.26 -5.01 105.19 102.19 3iud n GLY 77 Ca -0.03 -0.80 0.03 0.00 0.00 0.00 0.00 46.02 45.21 3iud n GLY 77 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 3iud h ILE 78 N 0.39 1.12 -0.16 -0.61 6.09 -1.92 -1.42 117.51 120.99 3iud h ILE 78 Ca 0.00 -0.33 -0.09 0.00 -1.37 0.00 0.00 64.86 63.06 3iud h ILE 78 Cb 0.00 0.06 -0.01 0.00 0.47 0.00 0.00 36.82 37.33 3iud h ILE 78 CO 0.00 0.18 -0.31 -0.26 -3.07 0.00 0.00 178.15 174.68 3iud h PHE 79 N 0.97 0.36 -0.23 2.19 0.04 -1.97 0.44 116.94 118.74 3iud h PHE 79 Ca 0.32 -0.08 -0.19 0.00 2.80 0.00 0.00 57.97 60.82 3iud h PHE 79 Cb 0.07 -0.09 0.00 0.00 2.20 0.00 0.00 35.95 38.14 3iud h PHE 79 CO -0.00 0.60 -0.60 -0.44 -0.60 0.00 0.00 178.31 177.27 3iud h ASP 80 N 0.28 0.92 -0.68 2.17 3.32 -1.83 -2.06 116.42 118.54 3iud h ASP 80 Ca 0.04 -0.57 -0.01 0.00 0.02 0.00 0.00 57.03 56.51 3iud h ASP 80 Cb 0.70 -0.27 -0.03 0.00 0.22 0.00 0.00 39.33 39.95 3iud h ASP 80 CO 0.05 1.33 0.39 0.11 -1.72 0.00 0.00 179.24 179.40 3iud h LYS 81 N 0.57 0.93 -0.58 3.56 1.57 -0.86 0.13 116.57 121.90 3iud h LYS 81 Ca -0.01 -0.10 -0.04 0.00 -1.87 0.00 0.00 60.65 58.64 3iud h LYS 81 Cb 1.21 -0.19 -0.03 0.00 0.08 0.00 0.00 32.23 33.31 3iud h LYS 81 CO 0.13 0.69 0.22 -0.07 -0.57 0.00 0.00 179.45 179.84 3iud h LEU 82 N 0.93 0.81 -0.83 2.94 3.38 -0.89 0.97 115.31 122.63 3iud h LEU 82 Ca 0.24 -0.18 0.07 0.00 0.09 0.00 0.00 57.88 58.10 3iud h LEU 82 Cb 0.01 -0.21 -0.06 0.00 0.09 0.00 0.00 40.66 40.49 3iud h LEU 82 CO -0.04 0.77 0.50 0.44 0.09 0.00 0.00 178.44 180.20 3iud h ASP 83 N 0.80 0.77 -0.04 -0.43 3.32 -0.71 -0.18 116.42 119.95 3iud h ASP 83 Ca 0.19 0.02 -0.14 0.00 0.02 0.00 0.00 57.03 57.13 3iud h ASP 83 Cb 0.23 -0.14 -0.01 0.00 0.22 0.00 0.00 39.33 39.63 3iud h ASP 83 CO -0.01 0.49 -0.43 0.44 -1.72 0.00 0.00 179.24 178.00 3iud h ASP 84 N 0.90 0.62 0.41 6.45 3.32 -0.37 -2.68 116.42 125.06 3iud h ASP 84 Ca 0.37 -0.29 -0.06 0.00 0.02 0.00 0.00 57.03 57.07 3iud h ASP 84 Cb 0.20 -0.17 -0.01 0.00 0.22 0.00 0.00 39.33 39.57 3iud h ASP 84 CO -0.18 0.97 -0.28 0.00 -1.72 0.00 0.00 179.24 178.02 3iud h ALA 86 N 1.72 1.40 -0.37 0.00 0.00 -0.72 -1.66 119.26 119.62 3iud h ALA 86 Ca -0.00 -0.23 -0.07 0.00 0.00 0.00 0.00 54.91 54.60 3iud h ALA 86 Cb 0.56 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.23 3iud h ALA 86 CO 0.04 0.42 -0.05 0.28 0.00 0.00 0.00 179.25 179.94 3iud h VAL 87 N 0.33 1.27 -0.05 0.00 2.07 -1.32 -0.01 116.25 118.53 3iud h VAL 87 Ca 0.06 -1.08 0.00 0.00 0.82 0.00 0.00 66.70 66.50 3iud h VAL 87 Cb 0.42 1.23 -0.00 0.00 -1.52 0.00 0.00 31.29 31.42 3iud h VAL 87 CO 0.02 0.36 0.03 0.40 0.02 0.00 0.00 177.57 178.41 3iud h ILE 88 N 0.49 1.03 -0.44 4.57 2.04 -1.31 -2.28 117.51 121.61 3iud h ILE 88 Ca 0.10 -0.07 -0.03 0.00 1.00 0.00 0.00 64.86 65.86 3iud h ILE 88 Cb 0.54 0.98 -0.02 0.00 -0.74 0.00 0.00 36.82 37.58 3iud h ILE 88 CO 0.03 0.02 0.15 -0.61 0.00 0.00 0.00 178.15 177.75 3iud h GLN 89 N 0.05 0.67 -0.31 2.37 5.75 -1.25 -1.21 115.11 121.17 3iud h GLN 89 Ca 0.02 -0.13 0.04 0.00 -0.15 0.00 0.00 58.65 58.43 3iud h GLN 89 Cb 0.01 -0.10 -0.04 0.00 1.07 0.00 0.00 27.48 28.42 3iud h GLN 89 CO -0.00 0.63 0.07 0.37 -2.65 0.00 0.00 178.83 177.25 3iud h GLN 90 N 0.56 0.18 0.03 1.69 4.15 -0.85 0.61 115.11 121.49 3iud h GLN 90 Ca 0.14 -0.01 -0.22 0.00 0.77 0.00 0.00 58.65 59.33 3iud h GLN 90 Cb 0.23 -0.04 -0.01 0.00 0.21 0.00 0.00 27.48 27.87 3iud h GLN 90 CO -0.01 0.12 -0.99 -0.07 -1.93 0.00 0.00 178.83 175.95 3iud h LEU 91 N 0.19 0.30 0.00 -2.39 3.38 -1.36 -3.34 115.31 112.09 3iud h LEU 91 Ca 0.14 -0.27 -0.24 0.00 0.09 0.00 0.00 57.88 57.61 3iud h LEU 91 Cb 0.15 -0.09 -0.04 0.00 0.09 0.00 0.00 40.66 40.76 3iud h LEU 91 CO -0.18 1.12 -2.07 0.35 0.09 0.00 0.00 178.44 177.75 3iud n THR 92 N -3.60 0.89 -2.49 0.22 -2.24 -0.46 -1.21 114.28 105.40 3iud n THR 92 Ca -0.05 -0.64 -0.20 0.00 -2.27 0.00 0.00 64.05 60.90 3iud n THR 92 Cb 0.88 -0.42 -0.00 0.00 -2.10 0.00 0.00 70.33 68.69 3iud n THR 92 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 3iud n ARG 93 N -2.51 -2.13 0.00 -0.78 5.12 0.21 -4.78 116.66 111.79 3iud n ARG 93 Ca -0.22 0.92 0.00 0.00 -1.93 0.00 0.00 57.85 56.62 3iud n ARG 93 Cb 0.92 -5.60 0.00 0.00 -1.16 0.00 0.00 32.46 26.62 3iud n ARG 93 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 3iud n ALA 94 N -2.24 2.19 -2.97 7.54 0.00 -1.26 -4.82 120.51 118.95 3iud n ALA 94 Ca -0.21 -0.49 -0.20 0.00 0.00 0.00 0.00 53.44 52.54 3iud n ALA 94 Cb 0.67 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 20.10 3iud n ALA 94 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 3iud n THR 95 N -0.04 1.16 0.29 0.00 -2.24 -1.26 -1.31 114.28 110.88 3iud n THR 95 Ca 0.00 -4.66 0.15 0.00 -2.27 0.00 0.00 64.05 57.27 3iud n THR 95 Cb 0.05 -0.53 0.90 0.00 -2.10 0.00 0.00 70.33 68.65 3iud n THR 95 CO 0.00 0.00 0.00 1.55 -0.57 0.00 0.00 175.07 176.05 3iud h PRO 96 N 2.96 0.00 -6.48 -0.78 0.13 -1.88 -3.41 132.00 122.54 3iud h PRO 96 Ca 0.10 0.00 -0.67 0.00 -0.87 0.00 0.00 66.00 64.56 3iud h PRO 96 Cb 0.87 0.00 -0.16 0.00 0.13 0.00 0.00 31.00 31.83 3iud h PRO 96 CO 0.62 0.03 -0.73 -0.80 -0.23 0.00 0.00 178.00 176.89 3iud s ASN 97 N -6.04 4.43 -0.03 1.44 0.01 -1.26 -0.72 114.94 112.78 3iud s ASN 97 Ca -0.04 -0.32 0.05 0.00 -0.71 0.00 0.00 52.86 51.84 3iud s ASN 97 Cb 0.14 -0.90 -0.03 0.00 0.41 0.00 0.00 41.25 40.88 3iud s ASN 97 CO 0.54 0.21 -0.17 -0.69 -1.51 0.00 0.00 177.10 175.48 3iud s VAL 98 N -1.14 2.80 -0.23 1.60 1.01 0.15 -1.93 120.40 122.67 3iud s VAL 98 Ca 0.20 -0.89 -0.06 0.00 0.00 0.00 0.00 61.98 61.23 3iud s VAL 98 Cb -0.11 -2.09 -0.02 0.00 0.00 0.00 0.00 36.38 34.16 3iud s VAL 98 CO 0.12 0.54 0.03 -0.55 0.00 0.00 0.00 175.10 175.24 3iud s SER 99 N -0.83 4.91 0.45 3.32 0.15 -0.35 0.11 113.70 121.45 3iud s SER 99 Ca 0.12 -0.24 -0.02 0.00 0.70 0.00 0.00 55.95 56.51 3iud s SER 99 Cb -0.10 -1.87 -0.02 0.00 -1.71 0.00 0.00 66.02 62.32 3iud s SER 99 CO 0.01 -0.01 0.71 -0.76 1.20 0.00 0.00 173.24 174.39 3iud s LEU 100 N 1.43 3.69 -0.10 3.45 1.43 -1.24 -1.33 118.68 126.01 3iud s LEU 100 Ca 0.05 0.61 -0.00 0.00 -1.03 0.00 0.00 54.13 53.76 3iud s LEU 100 Cb -0.15 -3.51 0.02 0.00 0.03 0.00 0.00 46.19 42.59 3iud s LEU 100 CO 0.02 -0.59 -0.07 -2.28 0.23 0.00 0.00 176.35 173.66 3iud s HIS 101 N -2.61 1.35 -0.06 0.29 2.46 -1.26 -1.69 115.29 113.76 3iud s HIS 101 Ca 0.46 -0.63 -0.03 0.00 0.47 0.00 0.00 55.06 55.33 3iud s HIS 101 Cb -0.10 -1.14 -0.04 0.00 -0.13 0.00 0.00 32.58 31.17 3iud s HIS 101 CO 0.41 -0.45 0.10 0.42 -2.47 0.00 0.00 174.74 172.74 3iud s ILE 102 N 1.59 5.00 -1.21 0.89 -1.09 -0.58 0.06 121.20 125.85 3iud s ILE 102 Ca 0.02 -0.12 0.30 0.00 -2.23 0.00 0.00 60.65 58.62 3iud s ILE 102 Cb -0.13 -3.21 0.38 0.00 -1.58 0.00 0.00 42.46 37.91 3iud s ILE 102 CO -0.06 0.50 1.98 -0.81 -1.23 0.00 0.00 174.94 175.32 3iud n PRO 103 N 1.66 0.22 -0.34 2.79 -0.04 -1.26 -2.76 135.00 135.25 3iud n PRO 103 Ca -0.16 -0.00 0.19 0.00 -0.04 0.00 0.00 63.50 63.48 3iud n PRO 103 Cb 0.54 -1.50 0.41 0.00 -0.04 0.00 0.00 33.50 32.91 3iud n PRO 103 CO 0.00 0.00 0.00 -1.49 -0.04 0.00 0.00 175.50 173.97 3iud h TRP 104 N 0.01 0.98 -0.41 0.54 6.55 -1.91 -0.23 115.95 121.48 3iud h TRP 104 Ca 0.00 0.04 0.00 0.00 0.95 0.00 0.00 58.89 59.88 3iud h TRP 104 Cb 0.40 -0.28 0.00 0.00 -0.86 0.00 0.00 29.16 28.42 3iud h TRP 104 CO 0.00 0.02 0.00 -0.25 -1.05 0.00 0.00 178.44 177.16 3iud n ASP 105 N -4.90 3.47 -4.62 -3.49 8.00 0.11 -4.70 116.55 110.42 3iud n ASP 105 Ca 0.28 -1.98 -0.49 0.00 0.71 0.00 0.00 54.79 53.30 3iud n ASP 105 Cb 0.80 -0.26 -0.05 0.00 -0.02 0.00 0.00 41.12 41.59 3iud n ASP 105 CO 0.00 0.00 0.00 1.17 -0.39 0.00 0.00 177.20 177.98 3iud n LYS 106 N 1.47 1.50 -3.61 -1.24 4.81 -0.10 -4.92 118.16 116.07 3iud n LYS 106 Ca 0.19 0.54 -0.03 0.00 -0.87 0.00 0.00 58.31 58.15 3iud n LYS 106 Cb 0.60 -2.20 -0.01 0.00 0.02 0.00 0.00 35.03 33.44 3iud n LYS 106 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 3iud s ALA 107 N 0.47 -2.07 0.02 3.14 0.00 -1.26 -5.02 121.76 117.03 3iud s ALA 107 Ca 0.80 1.09 -0.34 0.00 0.00 0.00 0.00 51.96 53.51 3iud s ALA 107 Cb -0.84 0.17 -0.13 0.00 0.00 0.00 0.00 23.12 22.33 3iud s ALA 107 CO 0.45 -0.81 1.76 -3.47 0.00 0.00 0.00 175.76 173.69 3iud n ASP 108 N -0.28 3.32 -0.26 0.00 2.03 -1.26 -4.84 116.55 115.26 3iud n ASP 108 Ca -0.04 1.02 0.04 0.00 0.52 0.00 0.00 54.79 56.33 3iud n ASP 108 Cb 0.60 -1.40 0.27 0.00 -0.72 0.00 0.00 41.12 39.88 3iud n ASP 108 CO 0.00 0.00 0.00 -0.65 -1.92 0.00 0.00 177.20 174.63 3iud h PRO 109 N 7.88 0.92 -0.88 -0.67 0.11 -1.94 -1.46 132.00 135.96 3iud h PRO 109 Ca -0.47 -0.06 0.10 0.00 0.11 0.00 0.00 66.00 65.68 3iud h PRO 109 Cb 1.26 -0.21 -0.07 0.00 0.11 0.00 0.00 31.00 32.09 3iud h PRO 109 CO 0.92 0.61 0.52 0.87 -0.21 0.00 0.00 178.00 180.71 3iud h LYS 110 N 0.95 0.84 -0.01 1.05 1.79 -1.88 -1.16 116.57 118.15 3iud h LYS 110 Ca 0.36 -0.05 -0.21 0.00 -2.18 0.00 0.00 60.65 58.57 3iud h LYS 110 Cb 0.19 -0.19 -0.00 0.00 -1.58 0.00 0.00 32.23 30.65 3iud h LYS 110 CO -0.13 0.56 -0.89 0.93 -1.08 0.00 0.00 179.45 178.84 3iud h GLU 111 N 0.87 0.35 -0.16 3.15 5.08 -1.66 -2.65 114.58 119.56 3iud h GLU 111 Ca 0.42 -0.36 -0.02 0.00 -1.00 0.00 0.00 59.36 58.41 3iud h GLU 111 Cb 0.37 0.10 -0.01 0.00 0.50 0.00 0.00 28.75 29.71 3iud h GLU 111 CO -0.24 1.04 0.03 -0.07 -1.00 0.00 0.00 179.01 178.77 3iud h LEU 112 N 0.20 0.24 -0.07 1.33 3.38 -0.94 -1.78 115.31 117.67 3iud h LEU 112 Ca -0.06 -0.24 0.03 0.00 0.09 0.00 0.00 57.88 57.70 3iud h LEU 112 Cb 1.51 -0.06 -0.03 0.00 0.09 0.00 0.00 40.66 42.16 3iud h LEU 112 CO 0.15 0.42 -0.11 0.50 0.09 0.00 0.00 178.44 179.48 3iud h LYS 113 N 0.05 -0.15 -1.00 1.13 1.63 -1.28 0.33 116.57 117.27 3iud h LYS 113 Ca 0.05 0.01 0.03 0.00 -0.85 0.00 0.00 60.65 59.89 3iud h LYS 113 Cb 0.27 0.03 -0.06 0.00 -0.60 0.00 0.00 32.23 31.88 3iud h LYS 113 CO 0.00 -0.10 0.66 0.00 -3.45 0.00 0.00 179.45 176.56 3iud h ALA 114 N 0.88 1.32 -0.50 5.00 0.00 -1.41 0.18 119.26 124.73 3iud h ALA 114 Ca 0.07 -0.05 -0.11 0.00 0.00 0.00 0.00 54.91 54.82 3iud h ALA 114 Cb 0.25 -0.36 -0.02 0.00 0.00 0.00 0.00 17.79 17.66 3iud h ALA 114 CO -0.16 0.57 -0.12 -0.09 0.00 0.00 0.00 179.25 179.45 3iud h ARG 115 N 1.28 0.96 0.31 0.00 9.65 -0.89 0.12 114.38 125.80 3iud h ARG 115 Ca 0.39 -0.36 -0.02 0.00 -1.10 0.00 0.00 59.98 58.89 3iud h ARG 115 Cb -0.02 -0.06 0.00 0.00 -1.39 0.00 0.00 29.97 28.51 3iud h ARG 115 CO -0.12 1.03 -0.15 0.78 2.80 0.00 0.00 179.97 184.31 3iud h GLY 116 N 0.82 -0.43 0.73 2.80 0.00 -0.07 -1.18 103.07 105.73 3iud h GLY 116 Ca 0.13 0.16 0.05 0.00 0.00 0.00 0.00 47.33 47.67 3iud h GLY 116 CO 0.05 -0.16 0.40 -0.55 0.00 0.00 0.00 176.54 176.28 3iud h ASP 117 N -0.51 0.61 -0.04 0.19 3.32 -0.63 0.33 116.42 119.68 3iud h ASP 117 Ca -0.04 0.02 -0.01 0.00 0.02 0.00 0.00 57.03 57.02 3iud h ASP 117 Cb 0.38 -0.10 -0.01 0.00 0.22 0.00 0.00 39.33 39.82 3iud h ASP 117 CO 0.07 0.40 -0.00 0.00 -1.72 0.00 0.00 179.24 177.99 3iud h ALA 118 N 1.34 1.81 -0.01 3.45 0.00 -0.79 -2.36 119.26 122.70 3iud h ALA 118 Ca 0.30 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 55.14 3iud h ALA 118 Cb 0.14 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.88 3iud h ALA 118 CO -0.16 0.15 -0.57 1.28 0.00 0.00 0.00 179.25 179.94 3iud n LEU 119 N -4.45 1.21 -0.11 0.00 4.77 -0.42 -4.96 117.00 113.06 3iud n LEU 119 Ca -0.01 -0.42 -0.01 0.00 -0.03 0.00 0.00 56.01 55.53 3iud n LEU 119 Cb 0.14 -0.08 -0.00 0.00 -2.33 0.00 0.00 43.42 41.15 3iud n LEU 119 CO 0.35 0.25 -0.01 0.61 -1.33 0.00 0.00 177.39 177.26 3iud n GLY 120 N 1.44 0.36 3.57 -0.72 0.00 0.90 -4.95 105.19 105.79 3iud n GLY 120 Ca 0.08 -0.90 -0.30 0.00 0.00 0.00 0.00 46.02 44.90 3iud n GLY 120 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3iud s LEU 121 N -0.28 3.04 0.48 0.99 1.43 0.36 -4.93 118.68 119.76 3iud s LEU 121 Ca 0.00 -0.33 0.05 0.00 -1.03 0.00 0.00 54.13 52.82 3iud s LEU 121 Cb 0.00 -1.81 -0.01 0.00 0.03 0.00 0.00 46.19 44.39 3iud s LEU 121 CO 0.00 0.21 0.21 -0.83 0.23 0.00 0.00 176.35 176.16 3iud s GLY 122 N -1.97 2.52 -0.13 -3.19 0.00 0.10 -3.86 107.32 100.80 3iud s GLY 122 Ca 0.20 -1.40 0.00 0.00 0.00 0.00 0.00 44.72 43.52 3iud s GLY 122 CO 0.12 -2.00 -0.14 -1.36 0.00 0.00 0.00 173.10 169.72 3iud s PHE 123 N -2.73 2.79 0.00 1.90 0.08 -1.26 -0.67 117.98 118.09 3iud s PHE 123 Ca 0.30 -0.68 0.00 0.00 0.12 0.00 0.00 56.93 56.67 3iud s PHE 123 Cb 0.01 -1.83 0.00 0.00 -0.57 0.00 0.00 43.02 40.63 3iud s PHE 123 CO 0.17 -0.23 0.00 -3.47 -0.10 0.00 0.00 175.22 171.59 3iud n ASP 124 N 3.52 0.00 -4.67 1.36 2.03 0.30 -4.04 116.55 115.05 3iud n ASP 124 Ca -0.18 0.00 -0.42 0.00 0.52 0.00 0.00 54.79 54.70 3iud n ASP 124 Cb 0.53 0.00 -0.00 0.00 -0.72 0.00 0.00 41.12 40.93 3iud n ASP 124 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 3iud n ALA 125 N -3.00 0.94 -1.89 -1.67 0.00 -1.26 -4.51 120.51 109.12 3iud n ALA 125 Ca 0.00 0.33 -0.31 0.00 0.00 0.00 0.00 53.44 53.46 3iud n ALA 125 Cb 0.00 -2.20 0.01 0.00 0.00 0.00 0.00 19.45 17.26 3iud n ALA 125 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 177.50 175.86 3iud s MET 126 N -1.91 3.60 -0.08 0.00 -1.94 0.11 -3.73 119.30 115.34 3iud s MET 126 Ca 0.58 0.73 -0.01 0.00 -1.71 0.00 0.00 55.69 55.28 3iud s MET 126 Cb -0.57 -2.09 0.03 0.00 2.01 0.00 0.00 34.83 34.20 3iud s MET 126 CO 0.60 -0.55 -0.03 -0.80 -0.01 0.00 0.00 175.02 174.24 3iud s ASN 127 N -4.16 1.75 0.55 3.03 0.01 -0.68 -0.37 114.94 115.07 3iud s ASN 127 Ca 0.55 -0.16 -0.07 0.00 -0.71 0.00 0.00 52.86 52.46 3iud s ASN 127 Cb -0.11 -0.58 -0.02 0.00 0.41 0.00 0.00 41.25 40.95 3iud s ASN 127 CO 0.53 -0.16 0.89 -0.94 -1.51 0.00 0.00 177.10 175.92 3iud s SER 128 N 1.81 6.06 -0.38 -1.22 1.04 -1.15 -1.53 113.70 118.34 3iud s SER 128 Ca 0.04 1.02 0.00 0.00 0.48 0.00 0.00 55.95 57.49 3iud s SER 128 Cb -0.12 -2.17 0.13 0.00 0.10 0.00 0.00 66.02 63.96 3iud s SER 128 CO -0.06 -0.80 0.21 0.21 0.98 0.00 0.00 173.24 173.78 3iud s ASN 129 N -4.18 3.27 -0.25 7.02 3.84 -1.11 -4.70 114.94 118.82 3iud s ASN 129 Ca 0.51 -2.26 0.09 0.00 0.21 0.00 0.00 52.86 51.41 3iud s ASN 129 Cb -0.11 -0.63 0.44 0.00 -0.55 0.00 0.00 41.25 40.41 3iud s ASN 129 CO 0.48 -0.31 1.23 0.35 -2.79 0.00 0.00 177.10 176.06 3iud n THR 130 N 3.98 2.37 -0.17 -5.21 -2.24 -1.26 -4.56 114.28 107.19 3iud n THR 130 Ca 0.09 -3.63 0.03 0.00 -2.27 0.00 0.00 64.05 58.28 3iud n THR 130 Cb 0.37 -0.62 0.08 0.00 -2.10 0.00 0.00 70.33 68.05 3iud n THR 130 CO 0.00 0.00 0.00 2.22 -0.57 0.00 0.00 175.07 176.72 3iud n PHE 131 N -0.95 0.23 -3.55 4.78 1.16 -1.26 -4.58 117.46 113.29 3iud n PHE 131 Ca 0.30 -0.54 -0.17 0.00 -1.87 0.00 0.00 57.45 55.17 3iud n PHE 131 Cb 0.82 -0.06 -0.06 0.00 -1.61 0.00 0.00 39.48 38.57 3iud n PHE 131 CO 0.00 0.00 0.00 -1.54 -1.87 0.00 0.00 176.76 173.35 3iud s SER 132 N -1.14 -0.59 0.09 5.98 1.04 -1.26 -4.93 113.70 112.89 3iud s SER 132 Ca 0.13 0.58 -0.16 0.00 0.48 0.00 0.00 55.95 56.97 3iud s SER 132 Cb 0.08 0.51 -0.07 0.00 0.10 0.00 0.00 66.02 66.64 3iud s SER 132 CO 0.07 -0.62 0.54 -1.81 0.98 0.00 0.00 173.24 172.40 3iud s ASP 133 N -1.33 6.92 0.28 7.02 1.01 -1.26 -4.88 116.67 124.43 3iud s ASP 133 Ca -0.10 1.14 0.09 0.00 0.71 0.00 0.00 52.55 54.38 3iud s ASP 133 Cb -0.01 -2.31 -0.04 0.00 1.01 0.00 0.00 42.92 41.57 3iud s ASP 133 CO 0.07 0.21 0.08 0.00 0.21 0.00 0.00 175.17 175.74 3iud s ALA 134 N -1.26 3.35 0.47 5.23 0.00 -1.26 -5.09 121.76 123.20 3iud s ALA 134 Ca 0.32 -1.62 -0.24 0.00 0.00 0.00 0.00 51.96 50.42 3iud s ALA 134 Cb -0.17 -0.91 -0.08 0.00 0.00 0.00 0.00 23.12 21.95 3iud s ALA 134 CO 0.18 0.22 1.30 -2.30 0.00 0.00 0.00 175.76 175.16 3iud n PRO 135 N -1.02 1.85 0.00 0.00 -0.02 -1.26 -2.78 135.00 131.77 3iud n PRO 135 Ca -0.06 0.67 0.00 0.00 -2.02 0.00 0.00 63.50 62.09 3iud n PRO 135 Cb 0.59 -2.46 0.00 0.00 -0.02 0.00 0.00 33.50 31.61 3iud n PRO 135 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3iud n GLY 136 N 0.79 2.83 3.64 -1.23 0.00 -1.26 -4.96 105.19 105.00 3iud n GLY 136 Ca 0.08 0.00 -0.55 0.00 0.00 0.00 0.00 46.02 45.55 3iud n GLY 136 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 3iud n GLN 137 N -1.96 1.14 0.21 1.61 7.27 -1.12 -4.87 117.38 119.66 3iud n GLN 137 Ca 0.00 0.41 0.09 0.00 0.07 0.00 0.00 57.00 57.58 3iud n GLN 137 Cb 0.00 -2.07 0.33 0.00 2.41 0.00 0.00 30.24 30.91 3iud n GLN 137 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 3iud h ALA 138 N 5.72 0.93 -3.58 1.69 0.00 -1.93 -3.44 119.26 118.66 3iud h ALA 138 Ca -0.47 -0.21 -0.39 0.00 0.00 0.00 0.00 54.91 53.84 3iud h ALA 138 Cb 1.33 -0.04 -0.33 0.00 0.00 0.00 0.00 17.79 18.76 3iud h ALA 138 CO 0.86 0.29 -0.77 -1.01 0.00 0.00 0.00 179.25 178.62 3iud s HIS 139 N -3.41 0.67 0.38 0.00 3.76 -1.26 -5.11 115.29 110.32 3iud s HIS 139 Ca 0.03 -0.16 -0.24 0.00 -0.15 0.00 0.00 55.06 54.53 3iud s HIS 139 Cb 0.09 -0.57 -0.10 0.00 1.11 0.00 0.00 32.58 33.10 3iud s HIS 139 CO 0.66 -0.14 0.96 0.45 -0.85 0.00 0.00 174.74 175.82 3iud s SER 140 N 0.67 7.07 -0.13 1.40 0.15 -1.26 -4.95 113.70 116.64 3iud s SER 140 Ca -0.09 1.81 0.12 0.00 0.70 0.00 0.00 55.95 58.50 3iud s SER 140 Cb -0.12 -2.56 0.58 0.00 -1.71 0.00 0.00 66.02 62.21 3iud s SER 140 CO 0.00 -0.27 1.43 -1.22 1.20 0.00 0.00 173.24 174.39 3iud n TYR 141 N -0.05 1.33 -0.21 3.44 4.01 -1.26 -4.52 117.16 119.90 3iud n TYR 141 Ca 0.05 -0.49 0.01 0.00 -0.16 0.00 0.00 57.90 57.31 3iud n TYR 141 Cb 0.52 -0.29 0.12 0.00 -0.31 0.00 0.00 39.34 39.38 3iud n TYR 141 CO 0.00 0.00 0.00 -0.22 -0.46 0.00 0.00 176.86 176.18 3iud h LYS 142 N 3.08 0.31 -0.57 -0.72 3.64 -1.94 -1.66 116.57 118.71 3iud h LYS 142 Ca 0.00 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.36 3iud h LYS 142 Cb 1.36 -0.07 0.00 0.00 -0.41 0.00 0.00 32.23 33.11 3iud h LYS 142 CO 0.26 0.21 0.00 0.66 -2.27 0.00 0.00 179.45 178.31 3iud n TYR 143 N -5.08 1.89 0.00 1.91 4.01 -1.26 -5.04 117.16 113.59 3iud n TYR 143 Ca 0.10 -0.72 0.00 0.00 -0.16 0.00 0.00 57.90 57.12 3iud n TYR 143 Cb 0.33 -0.45 0.00 0.00 -0.31 0.00 0.00 39.34 38.91 3iud n TYR 143 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3iud n GLY 144 N 0.63 2.39 0.00 2.72 0.00 -0.62 -4.61 105.19 105.70 3iud n GLY 144 Ca 0.27 -2.06 0.00 0.00 0.00 0.00 0.00 46.02 44.23 3iud n GLY 144 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3iud n SER 145 N 0.00 0.00 0.19 1.61 3.41 -1.26 -4.29 113.62 113.28 3iud n SER 145 Ca 0.00 0.00 0.14 0.00 -0.26 0.00 0.00 58.87 58.75 3iud n SER 145 Cb 0.00 0.00 0.61 0.00 -0.26 0.00 0.00 64.21 64.56 3iud n SER 145 CO 0.00 0.00 0.00 -0.07 -0.16 0.00 0.00 175.04 174.81 3iud h LEU 146 N 0.00 0.00 -2.94 1.04 3.38 -1.88 -2.67 115.31 112.25 3iud h LEU 146 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3iud h LEU 146 Cb 0.00 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.75 3iud h LEU 146 CO 0.00 0.00 0.00 -1.54 0.09 0.00 0.00 178.44 176.99 3iud n SER 147 N -2.49 1.98 -4.68 -0.43 3.41 -1.26 -3.67 113.62 106.47 3iud n SER 147 Ca 0.01 -1.97 -0.39 0.00 -0.26 0.00 0.00 58.87 56.26 3iud n SER 147 Cb 0.20 -0.00 0.04 0.00 -0.26 0.00 0.00 64.21 64.19 3iud n SER 147 CO 0.00 0.00 0.00 1.57 -0.16 0.00 0.00 175.04 176.45 3iud n HIS 148 N -0.48 1.66 0.26 7.33 -0.00 -1.00 -4.79 115.22 118.20 3iud n HIS 148 Ca 0.00 0.45 0.14 0.00 -0.00 0.00 0.00 57.72 58.31 3iud n HIS 148 Cb 0.24 -2.27 0.70 0.00 -0.00 0.00 0.00 29.99 28.67 3iud n HIS 148 CO 0.00 0.00 0.00 1.79 -0.00 0.00 0.00 176.34 178.13 3iud h THR 149 N 1.10 0.38 -3.58 3.57 1.35 -1.91 -3.42 112.91 110.41 3iud h THR 149 Ca -0.49 -0.62 -0.61 0.00 -0.55 0.00 0.00 66.41 64.14 3iud h THR 149 Cb 1.33 1.45 -0.11 0.00 -1.73 0.00 0.00 68.15 69.09 3iud h THR 149 CO 0.55 0.11 0.46 0.21 -0.25 0.00 0.00 175.52 176.60 3iud s ASN 150 N -5.95 6.53 0.22 5.36 2.47 -1.26 -4.95 114.94 117.36 3iud s ASN 150 Ca -0.01 0.23 -0.08 0.00 0.42 0.00 0.00 52.86 53.41 3iud s ASN 150 Cb 0.11 -2.42 0.36 0.00 -1.45 0.00 0.00 41.25 37.85 3iud s ASN 150 CO 0.57 -0.88 1.69 0.00 -3.72 0.00 0.00 177.10 174.76 3iud h ALA 151 N 8.75 0.77 -0.79 1.71 0.00 -1.99 -0.09 119.26 127.62 3iud h ALA 151 Ca -0.24 0.16 0.02 0.00 0.00 0.00 0.00 54.91 54.85 3iud h ALA 151 Cb 1.08 0.24 -0.04 0.00 0.00 0.00 0.00 17.79 19.07 3iud h ALA 151 CO 0.96 -0.34 0.52 0.00 0.00 0.00 0.00 179.25 180.40 3iud h ALA 152 N 1.55 1.48 -0.31 0.00 0.00 -1.96 0.22 119.26 120.24 3iud h ALA 152 Ca 0.35 -0.05 -0.09 0.00 0.00 0.00 0.00 54.91 55.13 3iud h ALA 152 Cb 0.57 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 18.05 3iud h ALA 152 CO -0.48 0.46 -0.18 1.15 0.00 0.00 0.00 179.25 180.20 3iud h THR 153 N 1.02 1.25 -0.05 0.00 2.02 -1.41 -1.40 112.91 114.35 3iud h THR 153 Ca 0.30 -1.16 -0.15 0.00 0.77 0.00 0.00 66.41 66.17 3iud h THR 153 Cb -0.04 1.22 -0.01 0.00 -1.74 0.00 0.00 68.15 67.57 3iud h THR 153 CO -0.08 0.38 -0.64 0.03 0.37 0.00 0.00 175.52 175.58 3iud h ARG 154 N 0.50 0.19 -0.28 6.66 3.08 -0.30 -2.65 114.38 121.57 3iud h ARG 154 Ca 0.08 -0.14 -0.12 0.00 0.07 0.00 0.00 59.98 59.88 3iud h ARG 154 Cb 0.59 0.02 -0.01 0.00 0.08 0.00 0.00 29.97 30.66 3iud h ARG 154 CO 0.04 0.77 -0.31 0.00 -1.07 0.00 0.00 179.97 179.39 3iud h ALA 155 N 1.20 0.93 -0.20 0.04 0.00 -0.48 -1.31 119.26 119.44 3iud h ALA 155 Ca -0.01 -0.39 -0.10 0.00 0.00 0.00 0.00 54.91 54.41 3iud h ALA 155 Cb 1.16 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.81 3iud h ALA 155 CO 0.10 0.62 -0.30 0.37 0.00 0.00 0.00 179.25 180.03 3iud h GLN 156 N 0.51 0.39 -0.08 0.00 4.15 -1.10 -1.55 115.11 117.43 3iud h GLN 156 Ca 0.06 -0.15 -0.24 0.00 0.77 0.00 0.00 58.65 59.08 3iud h GLN 156 Cb 0.79 -0.02 0.02 0.00 0.21 0.00 0.00 27.48 28.48 3iud h GLN 156 CO 0.06 0.65 -0.91 0.00 -1.93 0.00 0.00 178.83 176.71 3iud h ALA 157 N 1.35 0.23 0.43 3.38 0.00 -1.18 -2.70 119.26 120.76 3iud h ALA 157 Ca 0.05 -0.65 -0.02 0.00 0.00 0.00 0.00 54.91 54.29 3iud h ALA 157 Cb 0.71 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.52 3iud h ALA 157 CO 0.05 0.69 -0.22 0.28 0.00 0.00 0.00 179.25 180.05 3iud h VAL 158 N 0.47 0.54 -0.92 0.00 2.07 -1.10 -2.02 116.25 115.30 3iud h VAL 158 Ca -0.09 0.00 0.15 0.00 0.82 0.00 0.00 66.70 67.58 3iud h VAL 158 Cb 1.55 0.54 -0.09 0.00 -1.52 0.00 0.00 31.29 31.77 3iud h VAL 158 CO 0.18 0.00 0.52 -0.08 0.02 0.00 0.00 177.57 178.22 3iud h GLU 159 N -0.60 0.73 -0.73 1.57 4.57 -1.34 -0.33 114.58 118.45 3iud h GLU 159 Ca -0.06 -0.04 -0.04 0.00 -1.18 0.00 0.00 59.36 58.04 3iud h GLU 159 Cb 0.47 -0.17 -0.03 0.00 -0.16 0.00 0.00 28.75 28.86 3iud h GLU 159 CO 0.08 0.49 0.30 1.25 -1.18 0.00 0.00 179.01 179.95 3iud h HIS 160 N 0.76 1.09 -0.31 0.92 2.76 -1.13 -0.87 115.15 118.36 3iud h HIS 160 Ca 0.49 -0.07 -0.12 0.00 -2.20 0.00 0.00 60.37 58.47 3iud h HIS 160 Cb 0.64 -0.33 -0.01 0.00 1.55 0.00 0.00 27.41 29.26 3iud h HIS 160 CO -0.05 0.82 -0.31 -0.91 -1.30 0.00 0.00 177.93 176.19 3iud h ASN 161 N 1.05 0.69 -0.09 3.26 2.35 -0.38 -1.99 115.58 120.47 3iud h ASN 161 Ca 0.25 -0.28 -0.10 0.00 -0.55 0.00 0.00 56.30 55.62 3iud h ASN 161 Cb 0.19 -0.19 -0.01 0.00 0.05 0.00 0.00 38.32 38.35 3iud h ASN 161 CO -0.02 0.96 -0.24 -0.07 -1.65 0.00 0.00 177.43 176.40 3iud h LEU 162 N 0.57 0.53 -0.64 1.61 3.38 -0.75 -2.12 115.31 117.89 3iud h LEU 162 Ca 0.07 -0.18 -0.11 0.00 0.09 0.00 0.00 57.88 57.75 3iud h LEU 162 Cb 0.81 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 41.40 3iud h LEU 162 CO 0.07 0.77 -0.09 -0.08 0.09 0.00 0.00 178.44 179.19 3iud h GLU 163 N 0.46 0.97 -0.88 1.13 4.81 -0.95 -2.16 114.58 117.97 3iud h GLU 163 Ca 0.07 -0.34 0.05 0.00 -0.13 0.00 0.00 59.36 59.01 3iud h GLU 163 Cb 0.67 -0.07 -0.06 0.00 0.63 0.00 0.00 28.75 29.92 3iud h GLU 163 CO 0.05 1.01 0.56 0.00 -0.73 0.00 0.00 179.01 179.90 3iud h ILE 165 N 1.04 1.12 -0.49 0.00 2.04 -1.00 -1.05 117.51 119.17 3iud h ILE 165 Ca 0.37 -0.36 0.07 0.00 1.00 0.00 0.00 64.86 65.95 3iud h ILE 165 Cb 0.11 1.16 -0.06 0.00 -0.74 0.00 0.00 36.82 37.30 3iud h ILE 165 CO -0.15 0.11 0.16 -0.33 0.00 0.00 0.00 178.15 177.93 3iud h GLU 166 N 0.04 0.31 -0.35 2.37 4.39 -0.82 0.20 114.58 120.73 3iud h GLU 166 Ca 0.04 -0.02 0.02 0.00 0.34 0.00 0.00 59.36 59.74 3iud h GLU 166 Cb 0.13 -0.07 -0.03 0.00 -0.10 0.00 0.00 28.75 28.68 3iud h GLU 166 CO -0.00 0.21 0.18 0.82 -1.16 0.00 0.00 179.01 179.05 3iud h ILE 167 N 0.32 0.99 -0.58 3.13 2.04 -1.04 -2.28 117.51 120.09 3iud h ILE 167 Ca 0.24 -0.12 -0.03 0.00 1.00 0.00 0.00 64.86 65.94 3iud h ILE 167 Cb 0.27 0.59 -0.03 0.00 -0.74 0.00 0.00 36.82 36.92 3iud h ILE 167 CO -0.26 0.07 0.23 1.23 0.00 0.00 0.00 178.15 179.41 3iud h GLY 168 N 0.36 0.90 1.87 5.37 0.00 -0.10 -2.25 103.07 109.22 3iud h GLY 168 Ca 0.15 -0.46 -0.02 0.00 0.00 0.00 0.00 47.33 47.00 3iud h GLY 168 CO -0.10 0.43 -0.02 0.50 0.00 0.00 0.00 176.54 177.36 3iud h LYS 169 N 0.83 0.17 0.00 4.80 1.57 -0.09 -0.26 116.57 123.59 3iud h LYS 169 Ca 0.20 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.96 3iud h LYS 169 Cb 0.17 -0.03 0.00 0.00 0.08 0.00 0.00 32.23 32.45 3iud h LYS 169 CO -0.02 0.20 -0.13 0.00 -0.57 0.00 0.00 179.45 178.94 3iud h ALA 170 N 1.82 0.93 -0.01 3.86 0.00 -0.97 -3.35 119.26 121.54 3iud h ALA 170 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.95 3iud h ALA 170 Cb 0.15 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.94 3iud h ALA 170 CO 0.00 0.00 -0.10 0.44 0.00 0.00 0.00 179.25 179.59 3iud n ILE 171 N -2.69 0.00 0.00 0.00 -5.35 -0.91 -4.83 119.36 105.58 3iud n ILE 171 Ca 0.04 -0.45 0.00 0.00 -0.27 0.00 0.00 62.75 62.07 3iud n ILE 171 Cb 0.49 1.09 0.00 0.00 -1.74 0.00 0.00 39.64 39.48 3iud n ILE 171 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3iud n GLY 172 N 0.66 0.72 3.77 3.28 0.00 -0.62 -4.54 105.19 108.46 3iud n GLY 172 Ca 0.03 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.69 3iud n GLY 172 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3iud s SER 173 N -1.68 5.99 -0.04 1.61 0.15 -0.21 -4.81 113.70 114.71 3iud s SER 173 Ca 0.00 2.26 0.06 0.00 0.70 0.00 0.00 55.95 58.97 3iud s SER 173 Cb 0.00 -2.59 0.09 0.00 -1.71 0.00 0.00 66.02 61.81 3iud s SER 173 CO 0.00 -1.04 1.00 0.29 1.20 0.00 0.00 173.24 174.69 3iud n LYS 174 N -0.81 1.99 -3.43 5.44 4.76 -1.26 -4.44 118.16 120.41 3iud n LYS 174 Ca 0.09 -1.73 -0.12 0.00 -2.87 0.00 0.00 58.31 53.67 3iud n LYS 174 Cb 0.49 -1.09 -0.02 0.00 -1.84 0.00 0.00 35.03 32.57 3iud n LYS 174 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 3iud s ALA 175 N -1.47 -1.62 -0.13 7.82 0.00 -1.26 -2.11 121.76 123.00 3iud s ALA 175 Ca 0.10 0.57 0.00 0.00 0.00 0.00 0.00 51.96 52.64 3iud s ALA 175 Cb 0.09 0.80 0.02 0.00 0.00 0.00 0.00 23.12 24.04 3iud s ALA 175 CO 0.01 -0.73 -0.11 -1.17 0.00 0.00 0.00 175.76 173.76 3iud s LEU 176 N -2.61 1.45 -0.13 0.00 2.96 -0.60 0.04 118.68 119.78 3iud s LEU 176 Ca 0.00 -0.39 -0.13 0.00 -0.22 0.00 0.00 54.13 53.38 3iud s LEU 176 Cb -0.01 -1.01 -0.05 0.00 0.50 0.00 0.00 46.19 45.62 3iud s LEU 176 CO -0.11 -0.08 0.30 -0.89 -1.32 0.00 0.00 176.35 174.25 3iud s THR 177 N 1.56 5.29 -0.26 3.68 2.01 0.50 -0.87 115.64 127.54 3iud s THR 177 Ca 0.04 0.56 0.03 0.00 0.31 0.00 0.00 61.69 62.63 3iud s THR 177 Cb -0.13 -3.62 0.06 0.00 0.01 0.00 0.00 72.50 68.82 3iud s THR 177 CO -0.09 0.44 -0.08 -0.69 -0.69 0.00 0.00 174.62 173.51 3iud s VAL 178 N 0.09 2.05 -0.10 3.82 1.01 0.12 -2.94 120.40 124.46 3iud s VAL 178 Ca 0.17 -1.63 0.02 0.00 0.00 0.00 0.00 61.98 60.55 3iud s VAL 178 Cb -0.13 -2.23 0.01 0.00 0.00 0.00 0.00 36.38 34.03 3iud s VAL 178 CO 0.05 -0.10 -0.17 0.86 0.00 0.00 0.00 175.10 175.74 3iud s TRP 179 N 1.14 2.00 0.16 5.22 -0.00 -1.26 -2.26 118.94 123.93 3iud s TRP 179 Ca -0.06 -0.86 0.06 0.00 -0.00 0.00 0.00 56.10 55.23 3iud s TRP 179 Cb -0.20 -1.41 -0.04 0.00 -0.00 0.00 0.00 33.47 31.82 3iud s TRP 179 CO -0.06 -0.41 -0.12 0.96 -0.00 0.00 0.00 176.95 177.32 3iud s ILE 180 N 0.72 1.35 -0.77 5.86 -4.36 -1.26 -4.72 121.20 118.02 3iud s ILE 180 Ca -0.12 -2.02 0.25 0.00 -0.26 0.00 0.00 60.65 58.50 3iud s ILE 180 Cb -0.16 -1.83 0.11 0.00 1.25 0.00 0.00 42.46 41.84 3iud s ILE 180 CO 0.03 -0.64 1.51 0.61 0.24 0.00 0.00 174.94 176.69 3iud n GLY 181 N -0.09 -1.45 2.67 6.27 0.00 -1.26 -4.96 105.19 106.37 3iud n GLY 181 Ca -0.11 -0.20 -0.46 0.00 0.00 0.00 0.00 46.02 45.24 3iud n GLY 181 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3iud n ASP 182 N -1.95 0.35 0.00 1.61 9.92 -1.26 -4.21 116.55 121.01 3iud n ASP 182 Ca 0.05 0.87 0.00 0.00 -0.53 0.00 0.00 54.79 55.18 3iud n ASP 182 Cb 0.41 -0.67 0.00 0.00 -0.64 0.00 0.00 41.12 40.21 3iud n ASP 182 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 3iud n GLY 183 N 1.84 -0.54 3.08 0.44 0.00 -1.26 -2.27 105.19 106.48 3iud n GLY 183 Ca 0.18 -0.82 -0.09 0.00 0.00 0.00 0.00 46.02 45.29 3iud n GLY 183 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3iud s SER 184 N -4.00 0.62 0.00 1.61 1.04 0.19 -4.90 113.70 108.25 3iud s SER 184 Ca 0.00 -0.85 0.11 0.00 0.48 0.00 0.00 55.95 55.69 3iud s SER 184 Cb 0.00 0.14 -0.07 0.00 0.10 0.00 0.00 66.02 66.19 3iud s SER 184 CO 0.00 -0.47 0.58 0.59 0.98 0.00 0.00 173.24 174.92 3iud n ASN 185 N 0.52 0.90 -3.90 7.02 4.13 -1.26 -0.89 115.26 121.77 3iud n ASN 185 Ca -0.17 -0.95 -0.15 0.00 1.68 0.00 0.00 54.58 54.99 3iud n ASN 185 Cb 0.59 0.76 -0.15 0.00 -1.54 0.00 0.00 39.78 39.44 3iud n ASN 185 CO 0.00 0.00 0.00 -0.36 0.28 0.00 0.00 177.26 177.18 3iud s PHE 186 N -1.81 0.33 0.27 3.10 0.08 -1.26 -4.39 117.98 114.30 3iud s PHE 186 Ca 0.07 -0.05 -0.30 0.00 0.12 0.00 0.00 56.93 56.76 3iud s PHE 186 Cb 0.09 -0.26 -0.12 0.00 -0.57 0.00 0.00 43.02 42.15 3iud s PHE 186 CO 0.39 -0.04 1.54 -2.30 -0.10 0.00 0.00 175.22 174.70 3iud n PRO 187 N 3.29 2.49 0.00 0.24 -0.02 -1.26 -1.62 135.00 138.11 3iud n PRO 187 Ca -0.16 0.89 0.00 0.00 -2.02 0.00 0.00 63.50 62.20 3iud n PRO 187 Cb 0.57 -2.63 0.00 0.00 -0.02 0.00 0.00 33.50 31.42 3iud n PRO 187 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3iud n GLY 188 N 2.19 2.86 0.43 -1.23 0.00 -1.26 -4.88 105.19 103.30 3iud n GLY 188 Ca 0.10 -0.21 0.23 0.00 0.00 0.00 0.00 46.02 46.14 3iud n GLY 188 CO 0.00 0.00 0.00 -1.61 0.00 0.00 0.00 173.32 171.71 3iud h GLN 189 N 0.00 0.18 -5.28 1.61 4.15 -1.74 -3.41 115.11 110.62 3iud h GLN 189 Ca 0.00 -0.01 -0.40 0.00 0.77 0.00 0.00 58.65 59.01 3iud h GLN 189 Cb 0.00 -0.04 -0.21 0.00 0.21 0.00 0.00 27.48 27.44 3iud h GLN 189 CO 0.00 0.12 -0.77 -1.12 -1.93 0.00 0.00 178.83 175.13 3iud s SER 190 N -5.69 1.65 -0.54 -0.69 0.01 -1.26 -5.08 113.70 102.11 3iud s SER 190 Ca -0.06 -0.66 -0.18 0.00 1.31 0.00 0.00 55.95 56.36 3iud s SER 190 Cb 0.22 -0.04 0.09 0.00 0.21 0.00 0.00 66.02 66.49 3iud s SER 190 CO 0.77 -0.11 0.60 0.21 0.41 0.00 0.00 173.24 175.13 3iud s ASN 191 N -1.90 6.19 0.26 2.44 3.84 -1.26 -4.95 114.94 119.56 3iud s ASN 191 Ca -0.00 -1.28 -0.11 0.00 0.21 0.00 0.00 52.86 51.67 3iud s ASN 191 Cb -0.09 -2.27 0.38 0.00 -0.55 0.00 0.00 41.25 38.72 3iud s ASN 191 CO 0.02 -0.94 1.57 -0.26 -2.79 0.00 0.00 177.10 174.70 3iud h PHE 192 N 9.02 -0.62 -0.25 0.43 0.04 -1.98 0.00 116.94 123.58 3iud h PHE 192 Ca -0.29 0.09 -0.05 0.00 2.80 0.00 0.00 57.97 60.52 3iud h PHE 192 Cb 1.09 0.42 -0.01 0.00 2.20 0.00 0.00 35.95 39.65 3iud h PHE 192 CO 0.76 -0.40 -0.04 1.15 -0.60 0.00 0.00 178.31 179.18 3iud h THR 193 N -0.01 1.27 -0.24 -1.55 2.02 -2.00 -2.46 112.91 109.95 3iud h THR 193 Ca 0.42 -1.01 -0.12 0.00 0.77 0.00 0.00 66.41 66.47 3iud h THR 193 Cb 0.66 1.43 -0.01 0.00 -1.74 0.00 0.00 68.15 68.49 3iud h THR 193 CO -0.96 0.32 -0.37 0.03 0.37 0.00 0.00 175.52 174.90 3iud h ARG 194 N 0.22 0.53 -0.62 6.66 3.08 -1.80 -1.55 114.38 120.90 3iud h ARG 194 Ca 0.07 -0.26 -0.03 0.00 0.07 0.00 0.00 59.98 59.83 3iud h ARG 194 Cb 0.48 -0.00 -0.03 0.00 0.08 0.00 0.00 29.97 30.50 3iud h ARG 194 CO 0.02 0.83 0.28 0.00 -1.07 0.00 0.00 179.97 180.02 3iud h ALA 195 N 1.15 0.80 -0.57 0.04 0.00 -1.01 -0.93 119.26 118.74 3iud h ALA 195 Ca 0.04 -0.15 -0.09 0.00 0.00 0.00 0.00 54.91 54.72 3iud h ALA 195 Cb 0.85 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 18.38 3iud h ALA 195 CO 0.07 0.39 0.03 0.35 0.00 0.00 0.00 179.25 180.09 3iud h PHE 196 N 0.86 1.08 -0.72 0.00 3.57 -1.23 -1.85 116.94 118.65 3iud h PHE 196 Ca 0.21 -0.18 -0.02 0.00 3.53 0.00 0.00 57.97 61.51 3iud h PHE 196 Cb 0.16 -0.29 -0.03 0.00 2.79 0.00 0.00 35.95 38.58 3iud h PHE 196 CO 0.01 0.96 0.38 0.93 -2.23 0.00 0.00 178.31 178.35 3iud h GLU 197 N 0.89 1.01 -0.91 1.11 5.08 -0.97 0.12 114.58 120.92 3iud h GLU 197 Ca 0.17 -0.13 -0.01 0.00 -1.00 0.00 0.00 59.36 58.38 3iud h GLU 197 Cb 0.51 -0.19 -0.04 0.00 0.50 0.00 0.00 28.75 29.53 3iud h GLU 197 CO 0.02 0.77 0.52 0.00 -1.00 0.00 0.00 179.01 179.32 3iud h ARG 198 N 0.99 1.25 0.02 2.33 3.08 -0.92 -0.14 114.38 121.00 3iud h ARG 198 Ca 0.25 -0.13 -0.00 0.00 0.07 0.00 0.00 59.98 60.17 3iud h ARG 198 Cb 0.07 -0.25 0.00 0.00 0.08 0.00 0.00 29.97 29.87 3iud h ARG 198 CO -0.04 0.90 -0.01 -0.92 -1.07 0.00 0.00 179.97 178.83 3iud h TYR 199 N 1.27 -0.03 -0.83 3.04 5.03 -0.57 -1.63 116.97 123.25 3iud h TYR 199 Ca 0.32 -0.00 0.08 0.00 2.58 0.00 0.00 58.73 61.71 3iud h TYR 199 Cb -0.00 0.01 -0.07 0.00 1.55 0.00 0.00 36.73 38.22 3iud h TYR 199 CO 0.01 0.14 0.49 -0.07 -1.32 0.00 0.00 178.16 177.42 3iud h LEU 200 N -0.19 0.75 -0.45 2.82 3.38 -0.34 -0.51 115.31 120.76 3iud h LEU 200 Ca -0.00 0.03 0.01 0.00 0.09 0.00 0.00 57.88 58.00 3iud h LEU 200 Cb 0.18 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 40.79 3iud h LEU 200 CO 0.00 0.46 0.29 -1.28 0.09 0.00 0.00 178.44 178.00 3iud h SER 201 N 0.87 0.51 -0.08 -0.43 0.87 -0.75 -0.71 113.55 113.83 3iud h SER 201 Ca 0.38 -0.01 -0.12 0.00 -1.23 0.00 0.00 61.79 60.81 3iud h SER 201 Cb 0.26 -0.13 -0.01 0.00 -0.44 0.00 0.00 62.40 62.08 3iud h SER 201 CO -0.21 0.37 -0.34 0.00 -0.53 0.00 0.00 176.83 176.13 3iud h ALA 202 N 1.16 0.92 -0.10 6.23 0.00 -0.70 -3.03 119.26 123.75 3iud h ALA 202 Ca 0.16 -0.40 -0.13 0.00 0.00 0.00 0.00 54.91 54.54 3iud h ALA 202 Cb -0.07 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.59 3iud h ALA 202 CO -0.04 0.62 -0.53 0.52 0.00 0.00 0.00 179.25 179.82 3iud h MET 203 N 0.48 0.28 -0.35 0.00 2.07 -0.74 -2.64 114.93 114.04 3iud h MET 203 Ca 0.05 -0.17 -0.03 0.00 -2.07 0.00 0.00 59.70 57.49 3iud h MET 203 Cb 0.81 0.02 -0.02 0.00 -1.87 0.00 0.00 31.60 30.54 3iud h MET 203 CO 0.07 0.75 0.10 0.00 1.07 0.00 0.00 176.91 178.89 3iud h ALA 204 N 1.22 1.53 -0.25 6.32 0.00 -1.02 0.17 119.26 127.23 3iud h ALA 204 Ca 0.01 -0.13 -0.10 0.00 0.00 0.00 0.00 54.91 54.68 3iud h ALA 204 Cb 1.01 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 18.64 3iud h ALA 204 CO 0.08 0.36 -0.24 0.93 0.00 0.00 0.00 179.25 180.38 3iud h GLU 205 N 0.49 0.61 -0.91 0.00 5.08 -1.43 -2.14 114.58 116.29 3iud h GLU 205 Ca 0.12 -0.32 -0.01 0.00 -1.00 0.00 0.00 59.36 58.15 3iud h GLU 205 Cb 0.17 0.01 -0.04 0.00 0.50 0.00 0.00 28.75 29.39 3iud h GLU 205 CO -0.01 0.92 0.53 0.82 -1.00 0.00 0.00 179.01 180.27 3iud h ILE 206 N 0.33 1.25 -0.71 3.13 2.04 -1.11 -2.08 117.51 120.36 3iud h ILE 206 Ca 0.04 -0.59 0.03 0.00 1.00 0.00 0.00 64.86 65.35 3iud h ILE 206 Cb 0.80 -0.01 -0.04 0.00 -0.74 0.00 0.00 36.82 36.83 3iud h ILE 206 CO 0.06 0.28 0.47 0.22 0.00 0.00 0.00 178.15 179.17 3iud h TYR 207 N 1.26 0.83 0.00 1.37 5.03 -0.76 -0.30 116.97 124.40 3iud h TYR 207 Ca 0.32 0.02 -0.01 0.00 2.58 0.00 0.00 58.73 61.64 3iud h TYR 207 Cb -0.02 -0.28 -0.00 0.00 1.55 0.00 0.00 36.73 37.98 3iud h TYR 207 CO 0.01 0.49 -0.06 0.87 -1.32 0.00 0.00 178.16 178.14 3iud h LYS 208 N 0.86 0.00 -0.45 1.82 1.57 -0.70 -1.91 116.57 117.76 3iud h LYS 208 Ca 0.28 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.06 3iud h LYS 208 Cb 0.05 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.36 3iud h LYS 208 CO -0.08 0.06 0.00 0.41 -0.57 0.00 0.00 179.45 179.27 3iud n GLY 209 N -0.86 1.08 3.71 3.86 0.00 -0.12 -4.91 105.19 107.94 3iud n GLY 209 Ca -0.02 -0.46 -0.40 0.00 0.00 0.00 0.00 46.02 45.14 3iud n GLY 209 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3iud s LEU 210 N -1.05 4.33 0.93 0.99 1.02 -0.72 -5.01 118.68 119.18 3iud s LEU 210 Ca 0.28 1.33 -0.11 0.00 0.02 0.00 0.00 54.13 55.65 3iud s LEU 210 Cb 0.15 -3.23 0.15 0.00 0.02 0.00 0.00 46.19 43.29 3iud s LEU 210 CO 0.18 -0.16 1.09 -2.84 0.02 0.00 0.00 176.35 174.64 3iud s PRO 211 N 0.89 0.93 0.53 1.29 0.02 -1.26 -4.89 135.00 132.50 3iud s PRO 211 Ca 0.42 1.03 0.20 0.00 0.02 0.00 0.00 61.00 62.67 3iud s PRO 211 Cb -0.19 -1.75 1.34 0.00 0.02 0.00 0.00 34.50 33.92 3iud s PRO 211 CO 0.21 -2.53 2.09 -0.44 -0.33 0.00 0.00 177.00 176.00 3iud h ASP 212 N -1.77 0.00 -0.45 2.53 3.32 -2.00 -2.44 116.42 115.61 3iud h ASP 212 Ca -0.49 0.00 -0.07 0.00 0.02 0.00 0.00 57.03 56.48 3iud h ASP 212 Cb 1.28 0.00 -0.04 0.00 0.22 0.00 0.00 39.33 40.79 3iud h ASP 212 CO 0.50 0.00 0.06 -0.90 -1.72 0.00 0.00 179.24 177.18 3iud n ASP 213 N -4.45 4.33 -4.88 6.45 5.75 -1.26 -4.99 116.55 117.50 3iud n ASP 213 Ca 0.02 -3.14 -0.21 0.00 -0.01 0.00 0.00 54.79 51.45 3iud n ASP 213 Cb 0.29 -0.63 -0.03 0.00 -1.03 0.00 0.00 41.12 39.72 3iud n ASP 213 CO 0.00 0.00 0.00 0.26 -0.11 0.00 0.00 177.20 177.35 3iud s TRP 214 N -2.91 2.99 0.06 2.11 0.52 -0.92 -4.90 118.94 115.89 3iud s TRP 214 Ca 0.48 -0.26 0.03 0.00 0.02 0.00 0.00 56.10 56.38 3iud s TRP 214 Cb 0.39 -1.79 -0.03 0.00 -1.15 0.00 0.00 33.47 30.89 3iud s TRP 214 CO 0.10 0.18 -0.10 0.15 0.02 0.00 0.00 176.95 177.31 3iud s LYS 215 N -4.02 0.67 -0.24 4.98 1.02 -0.89 -4.84 119.74 116.41 3iud s LYS 215 Ca 0.41 -0.88 -0.01 0.00 0.02 0.00 0.00 55.97 55.51 3iud s LYS 215 Cb -0.07 -0.49 0.03 0.00 -0.52 0.00 0.00 37.83 36.77 3iud s LYS 215 CO 0.27 0.10 -0.09 -1.17 -0.92 0.00 0.00 175.35 173.54 3iud s LEU 216 N -1.76 3.04 -0.24 3.17 2.96 -0.07 -1.56 118.68 124.22 3iud s LEU 216 Ca -0.05 -0.89 -0.09 0.00 -0.22 0.00 0.00 54.13 52.88 3iud s LEU 216 Cb -0.09 -1.62 -0.04 0.00 0.50 0.00 0.00 46.19 44.94 3iud s LEU 216 CO 0.01 -0.11 0.12 -0.36 -1.32 0.00 0.00 176.35 174.68 3iud s PHE 217 N 1.29 3.22 -0.13 5.38 0.08 -0.05 -1.30 117.98 126.47 3iud s PHE 217 Ca -0.00 -0.01 -0.06 0.00 0.12 0.00 0.00 56.93 56.98 3iud s PHE 217 Cb -0.16 -2.23 -0.04 0.00 -0.57 0.00 0.00 43.02 40.01 3iud s PHE 217 CO -0.06 -0.07 0.10 -1.54 -0.10 0.00 0.00 175.22 173.55 3iud s SER 218 N 1.16 6.04 -0.22 1.36 1.04 -0.71 0.15 113.70 122.53 3iud s SER 218 Ca 0.06 0.34 0.01 0.00 0.48 0.00 0.00 55.95 56.83 3iud s SER 218 Cb -0.14 -1.93 0.03 0.00 0.10 0.00 0.00 66.02 64.08 3iud s SER 218 CO 0.05 0.36 -0.14 -0.70 0.98 0.00 0.00 173.24 173.79 3iud s GLU 219 N -0.74 2.81 0.65 4.02 2.12 -0.96 -1.36 118.70 125.23 3iud s GLU 219 Ca 0.13 -0.97 -0.11 0.00 0.36 0.00 0.00 54.97 54.38 3iud s GLU 219 Cb -0.12 -2.76 -0.02 0.00 0.26 0.00 0.00 34.13 31.49 3iud s GLU 219 CO 0.03 -0.33 1.04 -3.38 -0.54 0.00 0.00 175.26 172.08 3iud s HIS 220 N 1.27 3.47 -0.29 5.30 -3.43 -1.26 -4.71 115.29 115.64 3iud s HIS 220 Ca 0.01 1.31 -0.13 0.00 -0.80 0.00 0.00 55.06 55.45 3iud s HIS 220 Cb -0.15 -2.78 0.12 0.00 -1.43 0.00 0.00 32.58 28.34 3iud s HIS 220 CO -0.09 -0.87 0.75 0.21 -2.00 0.00 0.00 174.74 172.75 3iud s LYS 221 N -5.15 0.54 0.23 -0.38 2.20 -0.15 -4.78 119.74 112.25 3iud s LYS 221 Ca 0.56 1.19 -0.06 0.00 -0.36 0.00 0.00 55.97 57.29 3iud s LYS 221 Cb -0.12 0.52 0.33 0.00 -1.51 0.00 0.00 37.83 37.05 3iud s LYS 221 CO 0.54 -0.16 1.80 1.98 -0.36 0.00 0.00 175.35 179.16 3iud h MET 222 N 7.44 0.70 -2.74 4.03 1.85 -0.97 -3.36 114.93 121.87 3iud h MET 222 Ca -0.22 -0.04 0.08 0.00 -0.61 0.00 0.00 59.70 58.91 3iud h MET 222 Cb 1.15 -0.16 -0.03 0.00 0.43 0.00 0.00 31.60 32.99 3iud h MET 222 CO 0.12 0.46 0.40 1.52 -0.40 0.00 0.00 176.91 179.02 3iud s TYR 223 N -6.06 0.03 0.05 1.39 1.13 -1.26 -4.53 117.35 108.10 3iud s TYR 223 Ca -0.13 -0.53 0.00 0.00 -1.41 0.00 0.00 57.07 55.01 3iud s TYR 223 Cb 0.18 0.75 0.00 0.00 -1.10 0.00 0.00 41.96 41.79 3iud s TYR 223 CO 0.77 -1.20 0.00 -1.91 -2.51 0.00 0.00 175.55 170.70 3iud n GLU 224 N -0.57 -1.68 0.21 -3.49 2.13 -1.26 -4.81 120.64 111.17 3iud n GLU 224 Ca -0.06 1.55 0.15 0.00 0.66 0.00 0.00 57.16 59.46 3iud n GLU 224 Cb 0.60 -1.41 0.59 0.00 0.27 0.00 0.00 31.44 31.49 3iud n GLU 224 CO 0.00 0.00 0.00 -1.00 -0.41 0.00 0.00 177.13 175.72 3iud h PRO 225 N 1.31 0.00 -6.64 5.31 0.13 -1.93 -3.48 132.00 126.70 3iud h PRO 225 Ca 0.00 0.00 -0.51 0.00 -0.87 0.00 0.00 66.00 64.62 3iud h PRO 225 Cb 0.00 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 31.11 3iud h PRO 225 CO 0.00 0.00 0.36 0.00 -0.23 0.00 0.00 178.00 178.13 3iud s ALA 226 N -3.50 3.28 -0.66 -0.56 0.00 -1.26 -4.97 121.76 114.09 3iud s ALA 226 Ca 0.03 0.60 0.07 0.00 0.00 0.00 0.00 51.96 52.66 3iud s ALA 226 Cb 0.09 -3.26 0.19 0.00 0.00 0.00 0.00 23.12 20.15 3iud s ALA 226 CO 0.48 0.06 1.13 1.19 0.00 0.00 0.00 175.76 178.62 3iud n PHE 227 N 2.27 0.28 0.05 0.00 3.72 -1.23 -4.61 117.46 117.95 3iud n PHE 227 Ca 0.01 -0.45 0.00 0.00 -0.05 0.00 0.00 57.45 56.96 3iud n PHE 227 Cb 0.48 -0.03 0.00 0.00 -0.94 0.00 0.00 39.48 38.99 3iud n PHE 227 CO 0.00 0.00 0.00 0.98 -0.05 0.00 0.00 176.76 177.69 3iud n TYR 228 N 0.21 -0.36 -3.99 1.38 9.36 -0.48 -4.94 117.16 118.34 3iud n TYR 228 Ca 0.08 0.06 -0.09 0.00 3.32 0.00 0.00 57.90 61.27 3iud n TYR 228 Cb 0.35 0.10 -0.11 0.00 -0.63 0.00 0.00 39.34 39.05 3iud n TYR 228 CO 0.00 0.00 0.00 -1.54 0.22 0.00 0.00 176.86 175.54 3iud s SER 229 N -5.66 0.30 -0.04 2.98 1.04 -0.07 -4.97 113.70 107.27 3iud s SER 229 Ca 0.00 -0.54 0.03 0.00 0.48 0.00 0.00 55.95 55.91 3iud s SER 229 Cb 0.00 0.10 0.01 0.00 0.10 0.00 0.00 66.02 66.23 3iud s SER 229 CO 0.00 -0.32 -0.11 -0.89 0.98 0.00 0.00 173.24 172.90 3iud s THR 230 N -1.64 0.97 0.12 2.02 2.01 -1.26 0.55 115.64 118.40 3iud s THR 230 Ca -0.14 -0.43 -0.29 0.00 0.31 0.00 0.00 61.69 61.14 3iud s THR 230 Cb -0.09 -0.88 -0.07 0.00 0.01 0.00 0.00 72.50 71.48 3iud s THR 230 CO -0.02 0.30 1.60 0.58 -0.69 0.00 0.00 174.62 176.40 3iud h VAL 231 N 5.63 0.25 -3.19 3.82 2.07 -1.80 -2.93 116.25 120.10 3iud h VAL 231 Ca -0.33 0.00 -0.80 0.00 0.82 0.00 0.00 66.70 66.39 3iud h VAL 231 Cb 1.17 0.25 -0.28 0.00 -1.52 0.00 0.00 31.29 30.91 3iud h VAL 231 CO 0.48 0.00 0.61 0.52 0.02 0.00 0.00 177.57 179.20 3iud n VAL 232 N -5.43 4.93 0.07 2.57 0.31 -1.26 -4.84 118.33 114.68 3iud n VAL 232 Ca -0.06 -5.68 -0.13 0.00 -0.01 0.00 0.00 64.34 58.46 3iud n VAL 232 Cb 0.35 -2.30 -0.14 0.00 -0.91 0.00 0.00 33.84 30.84 3iud n VAL 232 CO 0.00 0.00 0.00 0.06 -1.32 0.00 0.00 176.83 175.57 3iud h GLN 233 N 5.94 0.17 -4.12 5.55 -0.00 -1.67 -0.36 115.11 120.62 3iud h GLN 233 Ca 0.19 -0.30 -0.26 0.00 -0.00 0.00 0.00 58.65 58.28 3iud h GLN 233 Cb 0.73 0.11 -0.08 0.00 -0.00 0.00 0.00 27.48 28.23 3iud h GLN 233 CO 1.19 1.08 -0.21 0.16 -0.00 0.00 0.00 178.83 181.05 3iud s ASP 234 N -6.92 0.82 0.57 0.06 1.47 -1.26 -2.26 116.67 109.15 3iud s ASP 234 Ca -0.04 -1.44 0.30 0.00 1.18 0.00 0.00 52.55 52.55 3iud s ASP 234 Cb 0.08 0.64 1.71 0.00 -0.34 0.00 0.00 42.92 45.01 3iud s ASP 234 CO 0.85 -1.26 2.19 4.11 0.68 0.00 0.00 175.17 181.74 3iud h TRP 235 N 2.14 0.00 0.27 2.11 5.08 -1.95 0.78 115.95 124.38 3iud h TRP 235 Ca -0.28 0.00 -0.01 0.00 1.08 0.00 0.00 58.89 59.67 3iud h TRP 235 Cb 1.24 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 27.40 3iud h TRP 235 CO 1.36 0.05 -0.13 0.78 -1.28 0.00 0.00 178.44 179.21 3iud h GLY 236 N 0.38 -0.38 1.65 11.11 0.00 -1.99 0.37 103.07 114.20 3iud h GLY 236 Ca -0.00 0.14 -0.05 0.00 0.00 0.00 0.00 47.33 47.43 3iud h GLY 236 CO 0.01 -0.14 -0.02 -0.84 0.00 0.00 0.00 176.54 175.54 3iud h THR 237 N -0.65 1.19 -0.25 4.70 2.02 -1.84 -1.44 112.91 116.62 3iud h THR 237 Ca -0.04 -0.75 -0.02 0.00 0.77 0.00 0.00 66.41 66.38 3iud h THR 237 Cb 0.46 1.00 -0.01 0.00 -1.74 0.00 0.00 68.15 67.86 3iud h THR 237 CO 0.06 0.25 0.09 -1.13 0.37 0.00 0.00 175.52 175.16 3iud h ASN 238 N 0.42 0.36 -0.63 4.18 -0.73 -0.55 -2.02 115.58 116.61 3iud h ASN 238 Ca 0.09 -0.19 0.01 0.00 1.87 0.00 0.00 56.30 58.08 3iud h ASN 238 Cb 0.32 -0.09 -0.03 0.00 0.27 0.00 0.00 38.32 38.79 3iud h ASN 238 CO 0.01 0.45 0.41 0.22 -0.37 0.00 0.00 177.43 178.16 3iud h TYR 239 N 0.24 0.80 -0.80 0.67 3.20 0.13 -1.50 116.97 119.71 3iud h TYR 239 Ca 0.08 0.02 0.12 0.00 3.14 0.00 0.00 58.73 62.09 3iud h TYR 239 Cb 0.22 -0.27 -0.06 0.00 1.54 0.00 0.00 36.73 38.16 3iud h TYR 239 CO -0.00 0.51 0.52 -0.07 -1.64 0.00 0.00 178.16 177.48 3iud h LEU 240 N 0.85 0.60 0.43 2.82 3.38 -0.98 -0.44 115.31 121.97 3iud h LEU 240 Ca 0.23 0.02 -0.02 0.00 0.09 0.00 0.00 57.88 58.20 3iud h LEU 240 Cb -0.09 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 40.57 3iud h LEU 240 CO -0.05 0.33 -0.21 0.40 0.09 0.00 0.00 178.44 179.01 3iud h ILE 241 N 0.65 0.41 -0.90 1.22 2.04 -0.57 -2.29 117.51 118.08 3iud h ILE 241 Ca 0.38 -0.54 0.06 0.00 1.00 0.00 0.00 64.86 65.76 3iud h ILE 241 Cb 0.59 0.61 -0.06 0.00 -0.74 0.00 0.00 36.82 37.22 3iud h ILE 241 CO -0.15 0.07 0.57 0.00 0.00 0.00 0.00 178.15 178.64 3iud h ALA 242 N -0.64 1.23 -0.30 1.87 0.00 -1.03 -0.22 119.26 120.17 3iud h ALA 242 Ca -0.06 -0.01 -0.10 0.00 0.00 0.00 0.00 54.91 54.74 3iud h ALA 242 Cb 0.56 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 18.08 3iud h ALA 242 CO 0.10 0.33 -0.23 0.37 0.00 0.00 0.00 179.25 179.82 3iud h GLN 243 N 1.04 0.57 -0.10 0.00 5.75 -1.14 -2.78 115.11 118.44 3iud h GLN 243 Ca 0.39 -0.21 -0.22 0.00 -0.15 0.00 0.00 58.65 58.46 3iud h GLN 243 Cb 0.15 -0.03 0.01 0.00 1.07 0.00 0.00 27.48 28.68 3iud h GLN 243 CO -0.17 0.76 -0.78 1.15 -2.65 0.00 0.00 178.83 177.14 3iud h THR 244 N 0.50 1.30 0.12 2.39 2.02 -0.75 -3.35 112.91 115.14 3iud h THR 244 Ca 0.07 -2.01 -0.01 0.00 0.77 0.00 0.00 66.41 65.24 3iud h THR 244 Cb 0.67 2.14 0.00 0.00 -1.74 0.00 0.00 68.15 69.22 3iud h THR 244 CO 0.05 0.63 -0.06 -0.07 0.37 0.00 0.00 175.52 176.44 3iud h LEU 245 N 0.41 -0.14 0.00 2.58 3.38 -1.03 -3.50 115.31 117.01 3iud h LEU 245 Ca -0.07 -0.25 0.00 0.00 0.09 0.00 0.00 57.88 57.65 3iud h LEU 245 Cb 1.43 0.04 0.00 0.00 0.09 0.00 0.00 40.66 42.21 3iud h LEU 245 CO 0.16 0.19 0.00 0.61 0.09 0.00 0.00 178.44 179.48 3iud n GLY 246 N -0.31 0.55 0.42 0.83 0.00 -1.05 -4.92 105.19 100.70 3iud n GLY 246 Ca -0.09 -1.76 0.23 0.00 0.00 0.00 0.00 46.02 44.41 3iud n GLY 246 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 3iud h PRO 247 N 0.00 0.00 0.00 1.61 0.11 -1.92 -0.61 132.00 131.19 3iud h PRO 247 Ca 0.00 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.11 3iud h PRO 247 Cb 0.00 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.11 3iud h PRO 247 CO 0.00 0.00 -0.13 1.63 -0.21 0.00 0.00 178.00 179.29 3iud n LYS 248 N -4.00 0.13 -3.70 1.05 5.02 -1.26 -4.82 118.16 110.58 3iud n LYS 248 Ca 0.12 0.09 -0.35 0.00 -2.02 0.00 0.00 58.31 56.14 3iud n LYS 248 Cb 0.75 -1.63 -0.08 0.00 -0.02 0.00 0.00 35.03 34.05 3iud n LYS 248 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3iud s ALA 249 N -3.06 3.68 0.19 7.82 0.00 -0.24 -0.89 121.76 129.26 3iud s ALA 249 Ca 0.11 -0.64 -0.00 0.00 0.00 0.00 0.00 51.96 51.43 3iud s ALA 249 Cb 0.16 -2.21 -0.04 0.00 0.00 0.00 0.00 23.12 21.03 3iud s ALA 249 CO 0.60 0.16 0.09 -0.65 0.00 0.00 0.00 175.76 175.96 3iud s GLN 250 N 0.33 1.15 -0.07 0.00 -0.21 -0.42 -4.71 119.66 115.73 3iud s GLN 250 Ca 0.10 -1.59 -0.09 0.00 0.02 0.00 0.00 55.36 53.80 3iud s GLN 250 Cb -0.11 0.15 -0.05 0.00 1.00 0.00 0.00 33.01 34.00 3iud s GLN 250 CO -0.01 -0.32 0.24 0.00 -2.12 0.00 0.00 175.29 173.08 3iud s LEU 252 N -1.14 3.66 -0.32 0.00 1.43 -0.46 0.07 118.68 121.92 3iud s LEU 252 Ca 0.19 0.09 -0.04 0.00 -1.03 0.00 0.00 54.13 53.35 3iud s LEU 252 Cb -0.14 -1.88 0.05 0.00 0.03 0.00 0.00 46.19 44.25 3iud s LEU 252 CO 0.08 0.26 0.04 -0.69 0.23 0.00 0.00 176.35 176.28 3iud s VAL 253 N -0.18 3.31 -0.30 -1.59 1.01 -0.49 -4.12 120.40 118.03 3iud s VAL 253 Ca 0.06 -1.28 -0.12 0.00 0.00 0.00 0.00 61.98 60.64 3iud s VAL 253 Cb -0.12 -2.89 -0.04 0.00 0.00 0.00 0.00 36.38 33.33 3iud s VAL 253 CO 0.02 -0.14 0.21 -0.62 0.00 0.00 0.00 175.10 174.57 3iud s ASP 254 N 1.32 6.02 0.20 3.32 -1.08 -1.26 -1.20 116.67 123.99 3iud s ASP 254 Ca -0.04 -0.17 -0.23 0.00 -0.52 0.00 0.00 52.55 51.60 3iud s ASP 254 Cb -0.20 -2.12 0.12 0.00 -1.46 0.00 0.00 42.92 39.26 3iud s ASP 254 CO 0.01 -0.12 1.55 -0.07 0.52 0.00 0.00 175.17 177.06 3iud h LEU 255 N 8.41 -1.72 -0.21 -1.34 3.38 -1.82 -1.10 115.31 120.92 3iud h LEU 255 Ca -0.34 0.32 0.00 0.00 0.09 0.00 0.00 57.88 57.95 3iud h LEU 255 Cb 1.18 0.83 0.00 0.00 0.09 0.00 0.00 40.66 42.76 3iud h LEU 255 CO 0.58 -0.27 0.00 0.61 0.09 0.00 0.00 178.44 179.45 3iud n GLY 256 N -1.39 -0.37 1.88 0.83 0.00 -1.26 -3.79 105.19 101.09 3iud n GLY 256 Ca 0.07 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.14 3iud n GLY 256 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 3iud n HIS 257 N -0.37 2.08 -4.39 1.61 8.25 -0.42 -2.79 115.22 119.19 3iud n HIS 257 Ca 0.00 -0.75 -0.24 0.00 -0.26 0.00 0.00 57.72 56.47 3iud n HIS 257 Cb 0.04 -0.52 -0.09 0.00 1.12 0.00 0.00 29.99 30.54 3iud n HIS 257 CO 0.00 0.00 0.00 -1.01 0.64 0.00 0.00 176.34 175.97 3iud s HIS 258 N -2.74 2.49 0.73 4.41 3.76 -1.25 -2.08 115.29 120.61 3iud s HIS 258 Ca 0.53 -0.37 -0.14 0.00 -0.15 0.00 0.00 55.06 54.94 3iud s HIS 258 Cb 0.41 -1.27 0.04 0.00 1.11 0.00 0.00 32.58 32.86 3iud s HIS 258 CO 0.15 0.59 1.14 0.00 -0.85 0.00 0.00 174.74 175.77 3iud s ALA 259 N -2.49 2.21 0.26 -1.40 0.00 -1.26 -4.92 121.76 114.16 3iud s ALA 259 Ca 0.32 0.60 -0.30 0.00 0.00 0.00 0.00 51.96 52.59 3iud s ALA 259 Cb -0.02 -3.37 -0.14 0.00 0.00 0.00 0.00 23.12 19.59 3iud s ALA 259 CO 0.18 -1.71 1.25 -2.30 0.00 0.00 0.00 175.76 173.17 3iud n PRO 260 N -2.91 1.75 -0.86 0.00 -0.02 -1.26 -2.14 135.00 129.56 3iud n PRO 260 Ca 0.11 0.62 0.00 0.00 -2.02 0.00 0.00 63.50 62.21 3iud n PRO 260 Cb 0.52 -2.17 0.00 0.00 -0.02 0.00 0.00 33.50 31.83 3iud n PRO 260 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 3iud n ASN 261 N 1.61 -2.16 -4.67 2.55 3.02 -1.26 -4.98 115.26 109.37 3iud n ASN 261 Ca 0.10 0.00 -0.41 0.00 -0.03 0.00 0.00 54.58 54.24 3iud n ASN 261 Cb 0.31 -1.69 0.01 0.00 -0.61 0.00 0.00 39.78 37.81 3iud n ASN 261 CO 0.00 0.00 0.00 0.41 -2.62 0.00 0.00 177.26 175.05 3iud n THR 262 N -2.22 2.52 -2.96 3.41 -1.04 -0.91 -4.89 114.28 108.19 3iud n THR 262 Ca 0.00 -0.50 -0.44 0.00 -2.04 0.00 0.00 64.05 61.07 3iud n THR 262 Cb 0.12 -1.43 -0.03 0.00 -1.82 0.00 0.00 70.33 67.17 3iud n THR 262 CO 0.00 0.00 0.00 0.21 -0.64 0.00 0.00 175.07 174.64 3iud s ASN 263 N -0.60 6.43 0.12 8.00 3.84 -1.26 -4.88 114.94 126.60 3iud s ASN 263 Ca 0.62 -1.68 -0.13 0.00 0.21 0.00 0.00 52.86 51.88 3iud s ASN 263 Cb -0.53 -2.38 -0.06 0.00 -0.55 0.00 0.00 41.25 37.73 3iud s ASN 263 CO 0.58 -1.15 1.45 0.40 -2.79 0.00 0.00 177.10 175.58 3iud h ILE 264 N 5.83 1.28 -0.54 -5.21 2.04 -1.98 -3.16 117.51 115.78 3iud h ILE 264 Ca -0.05 -1.52 0.11 0.00 1.00 0.00 0.00 64.86 64.40 3iud h ILE 264 Cb 1.05 1.47 -0.03 0.00 -0.74 0.00 0.00 36.82 38.57 3iud h ILE 264 CO 1.11 0.50 0.37 1.05 0.00 0.00 0.00 178.15 181.18 3iud h GLU 265 N 0.63 0.24 -0.16 2.37 9.09 -1.89 -1.73 114.58 123.13 3iud h GLU 265 Ca 0.05 -0.01 -0.03 0.00 0.05 0.00 0.00 59.36 59.42 3iud h GLU 265 Cb 0.94 -0.05 -0.01 0.00 -1.65 0.00 0.00 28.75 27.98 3iud h GLU 265 CO 0.09 0.16 -0.03 1.98 0.05 0.00 0.00 179.01 181.25 3iud h MET 266 N 0.24 0.30 -0.90 1.06 4.05 -1.92 -2.58 114.93 115.19 3iud h MET 266 Ca 0.25 -0.11 0.15 0.00 -0.28 0.00 0.00 59.70 59.71 3iud h MET 266 Cb 0.67 -0.02 -0.09 0.00 -0.80 0.00 0.00 31.60 31.35 3iud h MET 266 CO -0.05 0.57 0.50 0.82 0.23 0.00 0.00 176.91 178.97 3iud h ILE 267 N 0.01 0.76 -0.24 1.77 2.04 -1.36 0.16 117.51 120.65 3iud h ILE 267 Ca 0.04 -0.24 0.00 0.00 1.00 0.00 0.00 64.86 65.66 3iud h ILE 267 Cb 0.45 -0.01 -0.01 0.00 -0.74 0.00 0.00 36.82 36.51 3iud h ILE 267 CO 0.01 0.13 0.15 0.58 0.00 0.00 0.00 178.15 179.03 3iud h VAL 268 N 0.70 1.07 0.09 1.67 2.07 -1.32 -0.53 116.25 120.01 3iud h VAL 268 Ca 0.49 -0.15 0.01 0.00 0.82 0.00 0.00 66.70 67.87 3iud h VAL 268 Cb 0.67 0.75 -0.02 0.00 -1.52 0.00 0.00 31.29 31.17 3iud h VAL 268 CO -0.35 0.07 -0.13 0.00 0.02 0.00 0.00 177.57 177.18 3iud h ALA 269 N 1.07 -0.22 -0.16 1.67 0.00 -0.60 0.49 119.26 121.50 3iud h ALA 269 Ca 0.09 -0.02 0.05 0.00 0.00 0.00 0.00 54.91 55.03 3iud h ALA 269 Cb -0.02 0.21 -0.06 0.00 0.00 0.00 0.00 17.79 17.92 3iud h ALA 269 CO -0.02 -0.65 -0.27 0.00 0.00 0.00 0.00 179.25 178.31 3iud h ARG 270 N -0.27 -0.31 -0.57 0.00 2.47 -0.58 0.19 114.38 115.31 3iud h ARG 270 Ca 0.02 0.02 0.05 0.00 -1.26 0.00 0.00 59.98 58.81 3iud h ARG 270 Cb 0.28 0.07 -0.05 0.00 -1.65 0.00 0.00 29.97 28.62 3iud h ARG 270 CO -0.07 -0.21 0.29 -0.07 0.56 0.00 0.00 179.97 180.47 3iud h LEU 271 N -0.33 0.42 -0.42 3.04 3.38 -0.83 -2.16 115.31 118.42 3iud h LEU 271 Ca 0.11 0.03 -0.00 0.00 0.09 0.00 0.00 57.88 58.11 3iud h LEU 271 Cb 0.49 -0.05 -0.02 0.00 0.09 0.00 0.00 40.66 41.18 3iud h LEU 271 CO -0.35 0.28 0.25 0.40 0.09 0.00 0.00 178.44 179.11 3iud h ILE 272 N 0.56 1.14 -0.96 1.22 2.04 -0.14 -0.26 117.51 121.10 3iud h ILE 272 Ca 0.25 -0.32 0.19 0.00 1.00 0.00 0.00 64.86 65.99 3iud h ILE 272 Cb 0.17 0.60 -0.09 0.00 -0.74 0.00 0.00 36.82 36.76 3iud h ILE 272 CO -0.18 0.14 0.61 -0.61 0.00 0.00 0.00 178.15 178.11 3iud h GLN 273 N 0.55 0.60 -0.52 2.37 4.15 -0.02 0.14 115.11 122.37 3iud h GLN 273 Ca 0.15 -0.04 0.00 0.00 0.77 0.00 0.00 58.65 59.53 3iud h GLN 273 Cb 0.01 -0.14 0.00 0.00 0.21 0.00 0.00 27.48 27.56 3iud h GLN 273 CO -0.03 0.40 0.00 1.19 -1.93 0.00 0.00 178.83 178.46 3iud n PHE 274 N -4.64 1.87 -4.01 3.99 3.72 -0.93 -4.96 117.46 112.49 3iud n PHE 274 Ca 0.21 -0.75 -0.32 0.00 -0.05 0.00 0.00 57.45 56.54 3iud n PHE 274 Cb 0.62 -0.47 0.01 0.00 -0.94 0.00 0.00 39.48 38.70 3iud n PHE 274 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3iud n GLY 275 N 0.43 -0.47 0.17 1.37 0.00 0.48 -4.87 105.19 102.30 3iud n GLY 275 Ca 0.27 0.17 0.07 0.00 0.00 0.00 0.00 46.02 46.53 3iud n GLY 275 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3iud n LYS 276 N -4.58 1.00 -2.97 1.61 4.76 -0.19 -4.93 118.16 112.85 3iud n LYS 276 Ca 0.04 -2.15 -0.44 0.00 -2.87 0.00 0.00 58.31 52.89 3iud n LYS 276 Cb 0.52 -1.23 -0.03 0.00 -1.84 0.00 0.00 35.03 32.44 3iud n LYS 276 CO 0.00 0.00 0.00 -1.17 -1.37 0.00 0.00 177.40 174.86 3iud s LEU 277 N -2.10 5.01 0.18 -0.35 2.96 -1.23 0.02 118.68 123.17 3iud s LEU 277 Ca 0.23 -1.56 0.05 0.00 -0.22 0.00 0.00 54.13 52.63 3iud s LEU 277 Cb 0.20 -2.37 0.03 0.00 0.50 0.00 0.00 46.19 44.55 3iud s LEU 277 CO 0.02 -1.18 1.40 1.23 -1.32 0.00 0.00 176.35 176.50 3iud h GLY 278 N 10.47 0.15 0.00 7.98 0.00 -0.64 -3.43 103.07 117.60 3iud h GLY 278 Ca -0.12 -0.26 0.00 0.00 0.00 0.00 0.00 47.33 46.95 3iud h GLY 278 CO 1.11 0.23 0.00 0.61 0.00 0.00 0.00 176.54 178.49 3iud n GLY 279 N 0.83 0.13 3.15 4.60 0.00 -1.09 -0.48 105.19 112.34 3iud n GLY 279 Ca -0.03 -0.96 -0.25 0.00 0.00 0.00 0.00 46.02 44.79 3iud n GLY 279 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 3iud s PHE 280 N -2.00 1.62 -0.35 1.61 2.19 -0.18 -1.40 117.98 119.47 3iud s PHE 280 Ca 0.00 -0.36 -0.07 0.00 0.33 0.00 0.00 56.93 56.83 3iud s PHE 280 Cb 0.00 -1.06 0.04 0.00 -1.31 0.00 0.00 43.02 40.69 3iud s PHE 280 CO 0.00 -0.07 0.13 -1.01 1.83 0.00 0.00 175.22 176.09 3iud s HIS 281 N -0.25 3.26 0.25 10.12 3.76 -0.34 -1.17 115.29 130.91 3iud s HIS 281 Ca 0.03 -1.38 -0.19 0.00 -0.15 0.00 0.00 55.06 53.37 3iud s HIS 281 Cb -0.08 -2.34 -0.08 0.00 1.11 0.00 0.00 32.58 31.18 3iud s HIS 281 CO 0.00 -0.73 0.74 -0.06 -0.85 0.00 0.00 174.74 173.84 3iud s PHE 282 N 1.42 3.59 -1.09 1.40 0.08 -0.08 -2.55 117.98 120.75 3iud s PHE 282 Ca -0.01 1.37 0.00 0.00 0.12 0.00 0.00 56.93 58.41 3iud s PHE 282 Cb -0.20 -2.62 0.00 0.00 -0.57 0.00 0.00 43.02 39.64 3iud s PHE 282 CO 0.03 0.28 0.00 0.27 -0.10 0.00 0.00 175.22 175.70 3iud n ASN 283 N 0.48 0.00 -4.30 1.36 0.23 -1.26 -1.95 115.26 109.81 3iud n ASN 283 Ca -0.01 0.00 -0.16 0.00 -0.53 0.00 0.00 54.58 53.88 3iud n ASN 283 Cb 0.51 0.00 -0.10 0.00 -2.08 0.00 0.00 39.78 38.11 3iud n ASN 283 CO 0.00 0.00 0.00 -0.62 -0.93 0.00 0.00 177.26 175.71 3iud s ASP 284 N -0.53 1.32 0.14 0.53 -1.08 0.10 -4.55 116.67 112.61 3iud s ASP 284 Ca 0.00 -1.30 -0.25 0.00 -0.52 0.00 0.00 52.55 50.48 3iud s ASP 284 Cb 0.00 0.12 0.07 0.00 -1.46 0.00 0.00 42.92 41.65 3iud s ASP 284 CO 0.00 -0.65 0.83 -0.94 0.52 0.00 0.00 175.17 174.93 3iud s SER 285 N -3.28 -0.31 0.00 -0.34 1.04 -1.26 -0.92 113.70 108.63 3iud s SER 285 Ca 0.32 -0.27 0.00 0.00 0.48 0.00 0.00 55.95 56.48 3iud s SER 285 Cb 0.07 0.53 0.00 0.00 0.10 0.00 0.00 66.02 66.72 3iud s SER 285 CO 0.10 -0.93 0.00 1.17 0.98 0.00 0.00 173.24 174.56 3iud n LYS 286 N -0.39 1.09 -0.02 4.02 4.81 -1.26 -4.71 118.16 121.70 3iud n LYS 286 Ca -0.08 0.00 -0.07 0.00 -0.87 0.00 0.00 58.31 57.29 3iud n LYS 286 Cb 0.61 -0.72 -0.02 0.00 0.02 0.00 0.00 35.03 34.92 3iud n LYS 286 CO 0.00 0.00 0.00 0.66 1.17 0.00 0.00 177.40 179.23 3iud n TYR 287 N -1.46 0.00 -0.20 5.64 4.01 -1.26 -5.08 117.16 118.82 3iud n TYR 287 Ca 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.74 3iud n TYR 287 Cb 0.22 -0.25 0.00 0.00 -0.31 0.00 0.00 39.34 39.00 3iud n TYR 287 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3iud n GLY 288 N 2.61 5.26 2.77 2.72 0.00 -1.26 -4.88 105.19 112.42 3iud n GLY 288 Ca -0.12 -0.76 -0.42 0.00 0.00 0.00 0.00 46.02 44.72 3iud n GLY 288 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 3iud n ASP 289 N 0.00 4.24 0.21 1.61 2.03 -1.12 -4.66 116.55 118.85 3iud n ASP 289 Ca 0.00 -2.92 0.15 0.00 0.52 0.00 0.00 54.79 52.54 3iud n ASP 289 Cb 0.00 -1.61 0.62 0.00 -0.72 0.00 0.00 41.12 39.42 3iud n ASP 289 CO 0.00 0.00 0.00 0.44 -1.92 0.00 0.00 177.20 175.72 3iud h ASP 290 N 5.93 0.00 -6.53 1.67 3.32 -1.82 -3.47 116.42 115.51 3iud h ASP 290 Ca 0.52 0.00 -0.51 0.00 0.02 0.00 0.00 57.03 57.06 3iud h ASP 290 Cb 0.64 0.00 -0.09 0.00 0.22 0.00 0.00 39.33 40.09 3iud h ASP 290 CO 1.81 0.00 -0.85 0.47 -1.72 0.00 0.00 179.24 178.95 3iud n ASP 291 N -2.67 -1.78 -4.92 6.45 8.00 -1.23 -4.78 116.55 115.61 3iud n ASP 291 Ca 0.01 -0.97 -0.27 0.00 0.71 0.00 0.00 54.79 54.27 3iud n ASP 291 Cb 0.25 -3.10 0.03 0.00 -0.02 0.00 0.00 41.12 38.28 3iud n ASP 291 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 3iud s LEU 292 N -7.09 3.21 0.19 0.64 1.43 -0.10 -1.38 118.68 115.59 3iud s LEU 292 Ca 0.31 0.74 -0.33 0.00 -1.03 0.00 0.00 54.13 53.82 3iud s LEU 292 Cb -0.16 -3.56 -0.14 0.00 0.03 0.00 0.00 46.19 42.35 3iud s LEU 292 CO 0.89 -1.09 1.39 0.47 0.23 0.00 0.00 176.35 178.25 3iud n ASP 293 N -2.61 2.45 -4.71 2.29 9.92 -1.26 0.03 116.55 122.65 3iud n ASP 293 Ca 0.05 1.13 -0.43 0.00 -0.53 0.00 0.00 54.79 55.01 3iud n ASP 293 Cb 0.58 -1.36 -0.01 0.00 -0.64 0.00 0.00 41.12 39.68 3iud n ASP 293 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 3iud n ALA 294 N 2.23 1.69 0.00 2.24 0.00 -1.26 -2.19 120.51 123.22 3iud n ALA 294 Ca 0.14 0.38 0.00 0.00 0.00 0.00 0.00 53.44 53.96 3iud n ALA 294 Cb 0.28 -2.33 0.00 0.00 0.00 0.00 0.00 19.45 17.40 3iud n ALA 294 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3iud n GLY 295 N 1.44 2.91 0.24 0.00 0.00 -1.26 -4.72 105.19 103.79 3iud n GLY 295 Ca 0.07 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.17 3iud n GLY 295 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3iud h ALA 296 N 0.00 1.45 0.00 4.61 0.00 -1.81 -3.23 119.26 120.29 3iud h ALA 296 Ca 0.00 -0.16 -0.13 0.00 0.00 0.00 0.00 54.91 54.62 3iud h ALA 296 Cb 0.00 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 17.74 3iud h ALA 296 CO 0.00 0.22 -1.24 -0.89 0.00 0.00 0.00 179.25 177.34 3iud n ILE 297 N -3.96 1.27 -3.68 0.00 2.08 -1.26 -4.90 119.36 108.91 3iud n ILE 297 Ca -0.02 0.03 -0.28 0.00 0.56 0.00 0.00 62.75 63.04 3iud n ILE 297 Cb 0.26 -1.97 -0.12 0.00 -0.75 0.00 0.00 39.64 37.07 3iud n ILE 297 CO 0.00 0.00 0.00 -1.61 0.56 0.00 0.00 176.55 175.50 3iud s GLU 298 N -2.51 1.64 0.43 0.38 2.02 -1.26 -4.96 118.70 114.43 3iud s GLU 298 Ca -0.23 -2.60 0.12 0.00 0.02 0.00 0.00 54.97 52.28 3iud s GLU 298 Cb 0.06 -2.46 0.93 0.00 0.10 0.00 0.00 34.13 32.76 3iud s GLU 298 CO 0.31 -1.29 1.99 -1.00 0.02 0.00 0.00 175.26 175.29 3iud h PRO 299 N 5.80 0.18 -0.37 0.39 0.13 -1.90 -2.88 132.00 133.34 3iud h PRO 299 Ca 0.15 -0.03 -0.10 0.00 -0.87 0.00 0.00 66.00 65.16 3iud h PRO 299 Cb 0.85 -0.03 -0.02 0.00 0.13 0.00 0.00 31.00 31.93 3iud h PRO 299 CO 0.54 0.26 -0.16 -0.92 -0.23 0.00 0.00 178.00 177.49 3iud h TYR 300 N 0.17 0.76 -0.51 1.56 3.20 -1.93 -2.32 116.97 117.92 3iud h TYR 300 Ca 0.04 -0.15 -0.06 0.00 3.14 0.00 0.00 58.73 61.70 3iud h TYR 300 Cb 0.24 -0.19 -0.02 0.00 1.54 0.00 0.00 36.73 38.30 3iud h TYR 300 CO 0.00 0.81 0.07 -0.09 -1.64 0.00 0.00 178.16 177.31 3iud h ARG 301 N 0.62 0.80 -0.67 1.82 2.43 -1.93 -0.37 114.38 117.06 3iud h ARG 301 Ca 0.10 -0.18 -0.04 0.00 -0.81 0.00 0.00 59.98 59.05 3iud h ARG 301 Cb 0.62 -0.11 -0.03 0.00 -0.42 0.00 0.00 29.97 30.04 3iud h ARG 301 CO 0.04 0.76 0.27 1.25 -1.51 0.00 0.00 179.97 180.78 3iud h LEU 302 N 0.76 0.94 -0.95 3.80 5.85 -1.41 -0.64 115.31 123.66 3iud h LEU 302 Ca 0.16 -0.17 -0.08 0.00 0.84 0.00 0.00 57.88 58.62 3iud h LEU 302 Cb 0.36 -0.24 -0.02 0.00 0.37 0.00 0.00 40.66 41.13 3iud h LEU 302 CO 0.01 0.86 -0.10 0.15 -0.34 0.00 0.00 178.44 179.01 3iud h PHE 303 N 0.96 0.71 0.00 1.25 3.57 -0.96 -2.42 116.94 120.05 3iud h PHE 303 Ca 0.22 -0.12 -0.02 0.00 3.53 0.00 0.00 57.97 61.59 3iud h PHE 303 Cb 0.22 -0.19 -0.00 0.00 2.79 0.00 0.00 35.95 38.77 3iud h PHE 303 CO 0.01 0.73 -0.11 -0.07 -2.23 0.00 0.00 178.31 176.65 3iud h LEU 304 N 0.60 0.00 -0.00 0.59 3.38 -0.43 0.58 115.31 120.02 3iud h LEU 304 Ca 0.11 0.00 -0.10 0.00 0.09 0.00 0.00 57.88 57.98 3iud h LEU 304 Cb 0.53 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.29 3iud h LEU 304 CO 0.03 0.11 -0.39 0.58 0.09 0.00 0.00 178.44 178.86 3iud h VAL 305 N 0.00 1.50 -0.03 1.22 2.07 -0.75 -3.19 116.25 117.07 3iud h VAL 305 Ca -0.00 -1.99 -0.06 0.00 0.82 0.00 0.00 66.70 65.47 3iud h VAL 305 Cb 0.75 2.69 -0.01 0.00 -1.52 0.00 0.00 31.29 33.20 3iud h VAL 305 CO 0.01 0.56 -0.26 -0.26 0.02 0.00 0.00 177.57 177.65 3iud h PHE 306 N -0.33 0.05 -1.00 1.57 0.04 -1.21 -1.72 116.94 114.35 3iud h PHE 306 Ca -0.05 -0.01 0.07 0.00 2.80 0.00 0.00 57.97 60.79 3iud h PHE 306 Cb 1.13 -0.01 -0.07 0.00 2.20 0.00 0.00 35.95 39.19 3iud h PHE 306 CO 0.17 0.31 0.64 -0.97 -0.60 0.00 0.00 178.31 177.85 3iud h ASN 307 N 0.05 1.01 -0.27 2.17 -1.24 -0.90 0.27 115.58 116.68 3iud h ASN 307 Ca 0.01 0.01 -0.14 0.00 0.71 0.00 0.00 56.30 56.89 3iud h ASN 307 Cb 0.48 -0.20 -0.01 0.00 0.73 0.00 0.00 38.32 39.32 3iud h ASN 307 CO 0.03 0.63 -0.33 -0.33 -1.29 0.00 0.00 177.43 176.15 3iud h GLU 308 N 1.14 0.79 -0.07 6.67 4.39 -1.32 -0.79 114.58 125.40 3iud h GLU 308 Ca 0.44 -0.38 -0.01 0.00 0.34 0.00 0.00 59.36 59.75 3iud h GLU 308 Cb 0.21 -0.01 -0.00 0.00 -0.10 0.00 0.00 28.75 28.85 3iud h GLU 308 CO -0.18 1.00 0.00 -0.07 -1.16 0.00 0.00 179.01 178.60 3iud h LEU 309 N 0.66 0.12 -0.83 1.33 3.38 -0.61 -2.51 115.31 116.85 3iud h LEU 309 Ca 0.07 -0.29 -0.09 0.00 0.09 0.00 0.00 57.88 57.65 3iud h LEU 309 Cb 0.87 -0.03 -0.02 0.00 0.09 0.00 0.00 40.66 41.57 3iud h LEU 309 CO 0.08 0.38 -0.14 0.58 0.09 0.00 0.00 178.44 179.43 3iud h VAL 310 N -0.15 1.26 0.00 1.22 2.07 -0.53 -2.61 116.25 117.51 3iud h VAL 310 Ca 0.02 -1.19 -0.05 0.00 0.82 0.00 0.00 66.70 66.31 3iud h VAL 310 Cb 0.32 1.11 -0.01 0.00 -1.52 0.00 0.00 31.29 31.19 3iud h VAL 310 CO 0.00 0.40 -0.22 -0.78 0.02 0.00 0.00 177.57 177.00 3iud h ASP 311 N 0.65 0.00 -0.26 0.57 1.82 -1.10 0.42 116.42 118.51 3iud h ASP 311 Ca 0.11 0.00 -0.02 0.00 -0.39 0.00 0.00 57.03 56.73 3iud h ASP 311 Cb 0.61 0.00 -0.01 0.00 0.68 0.00 0.00 39.33 40.61 3iud h ASP 311 CO 0.04 0.22 0.09 0.00 -1.61 0.00 0.00 179.24 177.98 3iud h ALA 312 N 1.78 0.34 -0.74 -0.78 0.00 -1.06 0.22 119.26 119.03 3iud h ALA 312 Ca -0.00 -0.14 -0.05 0.00 0.00 0.00 0.00 54.91 54.72 3iud h ALA 312 Cb 0.41 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 18.06 3iud h ALA 312 CO 0.03 -0.04 0.27 1.49 0.00 0.00 0.00 179.25 181.00 3iud h GLU 313 N 0.26 1.12 -0.66 0.00 4.81 -1.27 -0.62 114.58 118.22 3iud h GLU 313 Ca 0.09 -0.21 -0.04 0.00 -0.13 0.00 0.00 59.36 59.06 3iud h GLU 313 Cb 0.22 -0.18 -0.03 0.00 0.63 0.00 0.00 28.75 29.40 3iud h GLU 313 CO -0.00 0.93 0.25 0.00 -0.73 0.00 0.00 179.01 179.45 3iud h ALA 314 N 1.20 0.86 0.00 2.92 0.00 -0.48 -1.25 119.26 122.52 3iud h ALA 314 Ca 0.25 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.97 3iud h ALA 314 Cb 0.24 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 17.78 3iud h ALA 314 CO -0.02 0.50 0.00 0.54 0.00 0.00 0.00 179.25 180.27 3iud n ARG 315 N -4.39 0.11 -2.60 0.00 1.74 0.75 -4.91 116.66 107.35 3iud n ARG 315 Ca 0.05 0.14 -0.05 0.00 -0.77 0.00 0.00 57.85 57.21 3iud n ARG 315 Cb 0.19 -1.50 0.01 0.00 -1.02 0.00 0.00 32.46 30.14 3iud n ARG 315 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3iud n GLY 316 N 0.50 0.50 3.76 -0.13 0.00 -0.35 -4.99 105.19 104.48 3iud n GLY 316 Ca 0.07 -0.51 -0.41 0.00 0.00 0.00 0.00 46.02 45.16 3iud n GLY 316 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3iud s VAL 317 N -2.88 2.41 0.22 1.61 1.01 -0.55 -4.96 120.40 117.26 3iud s VAL 317 Ca 0.11 0.38 -0.14 0.00 0.00 0.00 0.00 61.98 62.33 3iud s VAL 317 Cb -0.05 -3.24 -0.08 0.00 0.00 0.00 0.00 36.38 33.02 3iud s VAL 317 CO 0.13 0.07 0.61 -0.54 0.00 0.00 0.00 175.10 175.38 3iud s LYS 318 N -1.14 3.97 -1.35 2.72 1.02 -1.26 -4.36 119.74 119.34 3iud s LYS 318 Ca 0.56 0.52 -0.10 0.00 0.02 0.00 0.00 55.97 56.97 3iud s LYS 318 Cb -0.44 -2.73 0.01 0.00 -0.52 0.00 0.00 37.83 34.15 3iud s LYS 318 CO 0.51 0.35 0.45 0.41 -0.92 0.00 0.00 175.35 176.15 3iud n GLY 319 N 0.25 -0.45 3.12 -3.33 0.00 -1.26 -4.92 105.19 98.59 3iud n GLY 319 Ca -0.01 0.25 -0.37 0.00 0.00 0.00 0.00 46.02 45.88 3iud n GLY 319 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 3iud s PHE 320 N -3.88 3.49 -0.56 1.61 5.36 -1.26 -4.98 117.98 117.77 3iud s PHE 320 Ca 0.18 -2.50 0.06 0.00 -0.96 0.00 0.00 56.93 53.71 3iud s PHE 320 Cb -0.08 -3.26 0.21 0.00 -0.34 0.00 0.00 43.02 39.56 3iud s PHE 320 CO 0.92 -0.91 0.56 0.72 -1.46 0.00 0.00 175.22 175.04 3iud n HIS 321 N 4.08 1.80 -1.67 10.12 8.25 -1.26 -5.09 115.22 131.44 3iud n HIS 321 Ca 0.02 -3.91 -0.38 0.00 -0.26 0.00 0.00 57.72 53.19 3iud n HIS 321 Cb 0.40 -0.38 0.05 0.00 1.12 0.00 0.00 29.99 31.18 3iud n HIS 321 CO 0.00 0.00 0.00 -2.30 0.64 0.00 0.00 176.34 174.68 3iud n PRO 322 N 1.63 1.25 -3.26 -0.41 -0.02 -1.26 -4.96 135.00 127.96 3iud n PRO 322 Ca 0.25 0.47 -0.41 0.00 -2.02 0.00 0.00 63.50 61.80 3iud n PRO 322 Cb 0.43 -2.34 -0.08 0.00 -0.02 0.00 0.00 33.50 31.49 3iud n PRO 322 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3iud s ALA 323 N -1.39 3.51 -0.23 3.55 0.00 0.37 -4.92 121.76 122.66 3iud s ALA 323 Ca 0.74 -0.90 -0.08 0.00 0.00 0.00 0.00 51.96 51.72 3iud s ALA 323 Cb -0.43 -2.94 -0.03 0.00 0.00 0.00 0.00 23.12 19.71 3iud s ALA 323 CO 0.48 -1.04 0.08 -1.01 0.00 0.00 0.00 175.76 174.27 3iud s HIS 324 N 2.32 3.14 0.06 0.00 3.76 -1.26 -1.01 115.29 122.31 3iud s HIS 324 Ca 0.19 -0.21 0.03 0.00 -0.15 0.00 0.00 55.06 54.91 3iud s HIS 324 Cb -0.16 -2.20 -0.03 0.00 1.11 0.00 0.00 32.58 31.31 3iud s HIS 324 CO 0.12 -0.18 -0.09 -1.64 -0.85 0.00 0.00 174.74 172.10 3iud s MET 325 N 1.23 0.65 -0.19 1.40 -1.94 -0.32 0.41 119.30 120.55 3iud s MET 325 Ca 0.05 -0.91 -0.11 0.00 -1.71 0.00 0.00 55.69 53.01 3iud s MET 325 Cb -0.14 -0.39 -0.05 0.00 2.01 0.00 0.00 34.83 36.26 3iud s MET 325 CO 0.04 0.06 0.16 0.42 -0.01 0.00 0.00 175.02 175.69 3iud s ILE 326 N -1.80 5.39 -0.42 2.53 1.01 -0.09 -0.90 121.20 126.93 3iud s ILE 326 Ca -0.04 0.26 0.02 0.00 0.00 0.00 0.00 60.65 60.89 3iud s ILE 326 Cb -0.07 -3.50 0.14 0.00 0.01 0.00 0.00 42.46 39.04 3iud s ILE 326 CO -0.00 0.44 0.23 -0.62 0.00 0.00 0.00 174.94 174.99 3iud s ASP 327 N 0.30 3.54 0.33 3.58 -1.08 -0.82 -3.75 116.67 118.76 3iud s ASP 327 Ca 0.10 -2.53 0.03 0.00 -0.52 0.00 0.00 52.55 49.63 3iud s ASP 327 Cb -0.11 -0.92 -0.06 0.00 -1.46 0.00 0.00 42.92 40.37 3iud s ASP 327 CO -0.00 -0.28 0.08 -1.10 0.52 0.00 0.00 175.17 174.38 3iud s GLN 328 N 0.50 1.65 -0.05 4.34 -0.21 -1.26 -4.66 119.66 119.96 3iud s GLN 328 Ca 0.18 -1.93 0.03 0.00 0.02 0.00 0.00 55.36 53.65 3iud s GLN 328 Cb -0.24 -0.72 0.01 0.00 1.00 0.00 0.00 33.01 33.06 3iud s GLN 328 CO 0.00 -0.25 -0.11 0.45 -2.12 0.00 0.00 175.29 173.26 3iud s SER 329 N -3.47 1.60 -0.45 5.90 0.15 -0.48 -4.69 113.70 112.26 3iud s SER 329 Ca 0.35 -0.26 0.01 0.00 0.70 0.00 0.00 55.95 56.75 3iud s SER 329 Cb 0.08 -0.60 0.12 0.00 -1.71 0.00 0.00 66.02 63.90 3iud s SER 329 CO 0.15 0.06 0.21 -1.00 1.20 0.00 0.00 173.24 173.86 3iud s HIS 330 N 0.44 3.52 -0.22 3.44 0.09 -1.26 -4.64 115.29 116.66 3iud s HIS 330 Ca -0.09 -2.84 0.22 0.00 -0.00 0.00 0.00 55.06 52.34 3iud s HIS 330 Cb -0.13 -3.03 -0.03 0.00 -0.00 0.00 0.00 32.58 29.39 3iud s HIS 330 CO 0.02 -0.89 1.00 0.09 -0.00 0.00 0.00 174.74 174.96 3iud n ASN 331 N 3.92 0.81 -0.74 1.40 3.02 -1.26 -0.78 115.26 121.63 3iud n ASN 331 Ca 0.03 0.32 0.03 0.00 -0.03 0.00 0.00 54.58 54.94 3iud n ASN 331 Cb 0.39 0.49 0.05 0.00 -0.61 0.00 0.00 39.78 40.09 3iud n ASN 331 CO 0.00 0.00 0.00 1.33 -2.62 0.00 0.00 177.26 175.97 3iud n VAL 332 N -2.68 0.54 -4.17 2.41 0.24 -1.26 -4.69 118.33 108.71 3iud n VAL 332 Ca -0.01 -1.00 -0.12 0.00 -2.04 0.00 0.00 64.34 61.17 3iud n VAL 332 Cb 0.58 0.45 -0.09 0.00 -1.47 0.00 0.00 33.84 33.31 3iud n VAL 332 CO 0.00 0.00 0.00 0.42 -2.14 0.00 0.00 176.83 175.11 3iud s THR 333 N -0.80 0.00 -0.32 3.34 -4.23 -1.26 -5.09 115.64 107.27 3iud s THR 333 Ca 0.19 -1.91 -0.29 0.00 -1.18 0.00 0.00 61.69 58.51 3iud s THR 333 Cb 0.20 -2.46 -0.00 0.00 1.34 0.00 0.00 72.50 71.58 3iud s THR 333 CO -0.05 0.00 1.41 -0.62 -0.54 0.00 0.00 174.62 174.81 3iud s ASP 334 N -3.14 6.49 0.26 3.99 -1.08 -1.26 -4.88 116.67 117.04 3iud s ASP 334 Ca 0.36 1.15 -0.09 0.00 -0.52 0.00 0.00 52.55 53.45 3iud s ASP 334 Cb 0.06 -2.54 0.40 0.00 -1.46 0.00 0.00 42.92 39.38 3iud s ASP 334 CO 0.12 -1.25 1.58 -0.65 0.52 0.00 0.00 175.17 175.49 3iud h PRO 335 N 10.12 0.00 -0.94 4.34 0.11 -1.88 0.84 132.00 144.60 3iud h PRO 335 Ca -0.28 -0.00 0.03 0.00 0.11 0.00 0.00 66.00 65.86 3iud h PRO 335 Cb 1.11 -0.00 -0.05 0.00 0.11 0.00 0.00 31.00 32.17 3iud h PRO 335 CO 1.05 0.00 0.61 0.82 -0.21 0.00 0.00 178.00 180.27 3iud h ILE 336 N 0.00 1.16 -0.30 4.15 2.04 -1.87 -0.61 117.51 122.08 3iud h ILE 336 Ca 0.43 -0.41 -0.06 0.00 1.00 0.00 0.00 64.86 65.82 3iud h ILE 336 Cb 0.66 -0.13 -0.01 0.00 -0.74 0.00 0.00 36.82 36.60 3iud h ILE 336 CO -0.91 0.22 -0.05 -0.33 0.00 0.00 0.00 178.15 177.08 3iud h GLU 337 N 1.18 0.56 -0.64 2.37 5.08 -1.27 -0.65 114.58 121.22 3iud h GLU 337 Ca 0.37 -0.20 -0.03 0.00 -1.00 0.00 0.00 59.36 58.50 3iud h GLU 337 Cb -0.00 -0.04 -0.03 0.00 0.50 0.00 0.00 28.75 29.18 3iud h GLU 337 CO -0.12 0.74 0.29 0.77 -1.00 0.00 0.00 179.01 179.69 3iud h SER 338 N 0.34 0.86 -0.70 1.42 0.02 -0.91 -1.44 113.55 113.14 3iud h SER 338 Ca 0.08 -0.15 -0.05 0.00 -0.84 0.00 0.00 61.79 60.83 3iud h SER 338 Cb 0.52 -0.22 -0.03 0.00 0.14 0.00 0.00 62.40 62.81 3iud h SER 338 CO 0.03 0.77 0.24 -0.07 -1.14 0.00 0.00 176.83 176.65 3iud h LEU 339 N 0.90 1.00 0.09 5.07 3.38 -1.02 0.19 115.31 124.91 3iud h LEU 339 Ca 0.22 -0.20 0.01 0.00 0.09 0.00 0.00 57.88 58.00 3iud h LEU 339 Cb 0.16 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 40.63 3iud h LEU 339 CO -0.02 0.93 -0.12 0.40 0.09 0.00 0.00 178.44 179.71 3iud h ILE 340 N 1.01 0.72 0.00 1.22 2.04 -0.63 0.77 117.51 122.64 3iud h ILE 340 Ca 0.23 0.00 -0.10 0.00 1.00 0.00 0.00 64.86 65.99 3iud h ILE 340 Cb 0.27 0.72 -0.01 0.00 -0.74 0.00 0.00 36.82 37.06 3iud h ILE 340 CO -0.01 0.00 -0.46 0.78 0.00 0.00 0.00 178.15 178.46 3iud h ASN 341 N -0.25 0.00 -0.15 1.72 2.35 -1.11 -2.13 115.58 116.00 3iud h ASN 341 Ca 0.02 0.00 -0.04 0.00 -0.55 0.00 0.00 56.30 55.73 3iud h ASN 341 Cb 0.26 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 38.62 3iud h ASN 341 CO -0.06 0.46 -0.06 0.28 -1.65 0.00 0.00 177.43 176.40 3iud h SER 342 N 0.00 0.31 -0.70 5.81 0.02 -0.32 -0.73 113.55 117.94 3iud h SER 342 Ca -0.00 -0.40 0.08 0.00 -0.84 0.00 0.00 61.79 60.62 3iud h SER 342 Cb 0.96 -0.09 -0.04 0.00 0.14 0.00 0.00 62.40 63.37 3iud h SER 342 CO 0.06 0.64 0.46 0.00 -1.14 0.00 0.00 176.83 176.85 3iud h ALA 343 N 0.68 1.80 -0.15 3.77 0.00 -0.75 -1.76 119.26 122.84 3iud h ALA 343 Ca 0.03 -0.02 -0.03 0.00 0.00 0.00 0.00 54.91 54.90 3iud h ALA 343 Cb 0.52 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.15 3iud h ALA 343 CO 0.02 0.08 -0.00 -0.91 0.00 0.00 0.00 179.25 178.43 3iud h ASN 344 N 0.65 0.27 -0.82 0.00 -0.26 -0.93 -2.24 115.58 112.25 3iud h ASN 344 Ca 0.31 -0.32 0.07 0.00 -0.56 0.00 0.00 56.30 55.81 3iud h ASN 344 Cb 0.36 -0.07 -0.06 0.00 -1.06 0.00 0.00 38.32 37.49 3iud h ASN 344 CO -0.10 0.52 0.48 -0.33 -1.06 0.00 0.00 177.43 176.94 3iud h GLU 345 N 0.01 0.83 -0.36 0.81 4.39 -0.35 0.30 114.58 120.21 3iud h GLU 345 Ca 0.04 -0.05 -0.00 0.00 0.34 0.00 0.00 59.36 59.69 3iud h GLU 345 Cb 0.39 -0.19 -0.02 0.00 -0.10 0.00 0.00 28.75 28.83 3iud h GLU 345 CO 0.01 0.55 0.22 0.82 -1.16 0.00 0.00 179.01 179.44 3iud h ILE 346 N 0.85 1.12 -0.27 3.13 2.04 -1.25 0.21 117.51 123.35 3iud h ILE 346 Ca 0.37 -0.28 -0.06 0.00 1.00 0.00 0.00 64.86 65.89 3iud h ILE 346 Cb 0.25 0.66 -0.02 0.00 -0.74 0.00 0.00 36.82 36.98 3iud h ILE 346 CO -0.20 0.12 -0.10 0.03 0.00 0.00 0.00 178.15 178.00 3iud h ARG 347 N 0.47 0.44 -0.28 2.37 3.08 -0.68 -1.53 114.38 118.25 3iud h ARG 347 Ca 0.13 -0.11 -0.03 0.00 0.07 0.00 0.00 59.98 60.03 3iud h ARG 347 Cb 0.01 -0.05 -0.01 0.00 0.08 0.00 0.00 29.97 29.99 3iud h ARG 347 CO -0.02 0.55 0.06 -0.09 -1.07 0.00 0.00 179.97 179.39 3iud h ARG 348 N 0.41 0.45 -0.59 0.04 2.43 0.54 0.14 114.38 117.80 3iud h ARG 348 Ca 0.08 -0.11 -0.07 0.00 -0.81 0.00 0.00 59.98 59.06 3iud h ARG 348 Cb 0.44 -0.06 -0.02 0.00 -0.42 0.00 0.00 29.97 29.91 3iud h ARG 348 CO 0.02 0.55 0.07 0.00 -1.51 0.00 0.00 179.97 179.11 3iud h ALA 349 N 0.88 1.01 0.01 2.80 0.00 -0.38 -2.01 119.26 121.57 3iud h ALA 349 Ca 0.09 -0.26 -0.00 0.00 0.00 0.00 0.00 54.91 54.73 3iud h ALA 349 Cb 0.31 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 17.87 3iud h ALA 349 CO 0.00 0.62 -0.01 -0.92 0.00 0.00 0.00 179.25 178.95 3iud h TYR 350 N 0.91 -0.01 -0.26 0.00 3.20 -1.10 -1.93 116.97 117.79 3iud h TYR 350 Ca 0.18 -0.00 0.06 0.00 3.14 0.00 0.00 58.73 62.11 3iud h TYR 350 Cb 0.43 0.00 -0.06 0.00 1.54 0.00 0.00 36.73 38.65 3iud h TYR 350 CO 0.03 0.20 -0.11 0.00 -1.64 0.00 0.00 178.16 176.64 3iud h ALA 351 N 0.76 0.11 -0.52 1.82 0.00 -0.82 -1.37 119.26 119.25 3iud h ALA 351 Ca -0.00 0.10 -0.02 0.00 0.00 0.00 0.00 54.91 54.99 3iud h ALA 351 Cb 0.22 0.27 -0.03 0.00 0.00 0.00 0.00 17.79 18.25 3iud h ALA 351 CO 0.00 -0.51 0.24 1.96 0.00 0.00 0.00 179.25 180.95 3iud h GLN 352 N -0.06 0.72 -0.11 0.00 4.20 -1.33 -1.04 115.11 117.49 3iud h GLN 352 Ca 0.13 -0.09 -0.07 0.00 0.06 0.00 0.00 58.65 58.69 3iud h GLN 352 Cb 0.27 -0.14 -0.01 0.00 0.30 0.00 0.00 27.48 27.89 3iud h GLN 352 CO -0.30 0.57 -0.23 0.00 -0.67 0.00 0.00 178.83 178.19 3iud h ALA 353 N 1.55 1.41 0.00 3.87 0.00 -0.54 -1.75 119.26 123.80 3iud h ALA 353 Ca 0.18 -0.27 -0.09 0.00 0.00 0.00 0.00 54.91 54.73 3iud h ALA 353 Cb 0.08 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 3iud h ALA 353 CO -0.02 0.42 -0.44 -0.07 0.00 0.00 0.00 179.25 179.14 3iud h LEU 354 N 0.18 0.00 0.00 0.00 3.38 -0.15 -2.80 115.31 115.92 3iud h LEU 354 Ca 0.03 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.00 3iud h LEU 354 Cb 0.51 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.26 3iud h LEU 354 CO 0.04 0.44 0.00 0.18 0.09 0.00 0.00 178.44 179.18 3iud n LEU 355 N -3.84 0.00 -4.71 1.67 4.77 -0.66 -4.83 117.00 109.39 3iud n LEU 355 Ca -0.01 0.41 -0.42 0.00 -0.03 0.00 0.00 56.01 55.96 3iud n LEU 355 Cb 0.49 -0.41 -0.03 0.00 -2.33 0.00 0.00 43.42 41.13 3iud n LEU 355 CO 0.39 -0.11 1.16 -0.69 -1.33 0.00 0.00 177.39 176.81 3iud s VAL 356 N -2.83 2.98 -1.20 4.08 1.01 -1.06 -4.75 120.40 118.63 3iud s VAL 356 Ca 0.15 0.68 -0.20 0.00 0.00 0.00 0.00 61.98 62.61 3iud s VAL 356 Cb 0.15 -3.44 0.07 0.00 0.00 0.00 0.00 36.38 33.16 3iud s VAL 356 CO 0.37 0.05 1.63 -0.62 0.00 0.00 0.00 175.10 176.53 3iud s ASP 357 N 1.25 6.73 0.38 3.32 -1.08 -1.26 -4.81 116.67 121.20 3iud s ASP 357 Ca 0.68 -2.13 0.11 0.00 -0.52 0.00 0.00 52.55 50.69 3iud s ASP 357 Cb -0.40 -2.57 0.90 0.00 -1.46 0.00 0.00 42.92 39.39 3iud s ASP 357 CO 0.31 -1.27 1.88 0.03 0.52 0.00 0.00 175.17 176.64 3iud h ARG 358 N 8.30 0.58 0.47 4.34 2.47 -1.95 0.19 114.38 128.78 3iud h ARG 358 Ca 0.36 -0.03 -0.02 0.00 -1.26 0.00 0.00 59.98 59.02 3iud h ARG 358 Cb 0.92 -0.13 0.00 0.00 -1.65 0.00 0.00 29.97 29.11 3iud h ARG 358 CO 1.44 0.38 -0.24 0.00 0.56 0.00 0.00 179.97 182.12 3iud h ALA 359 N 1.61 -0.64 -0.67 0.04 0.00 -1.99 0.69 119.26 118.30 3iud h ALA 359 Ca 0.43 -0.14 -0.06 0.00 0.00 0.00 0.00 54.91 55.15 3iud h ALA 359 Cb 0.79 0.27 -0.03 0.00 0.00 0.00 0.00 17.79 18.82 3iud h ALA 359 CO -0.18 -0.87 0.20 0.00 0.00 0.00 0.00 179.25 178.40 3iud h ALA 360 N -0.11 0.89 0.03 0.00 0.00 -1.86 -2.28 119.26 115.92 3iud h ALA 360 Ca -0.06 -0.22 0.01 0.00 0.00 0.00 0.00 54.91 54.63 3iud h ALA 360 Cb 0.50 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 18.02 3iud h ALA 360 CO 0.09 0.58 -0.07 1.25 0.00 0.00 0.00 179.25 181.10 3iud h LEU 361 N 0.99 -0.18 -1.35 0.00 5.85 -0.71 -0.63 115.31 119.27 3iud h LEU 361 Ca 0.22 0.02 0.20 0.00 0.84 0.00 0.00 57.88 59.16 3iud h LEU 361 Cb 0.32 0.07 -0.08 0.00 0.37 0.00 0.00 40.66 41.34 3iud h LEU 361 CO -0.00 -0.10 0.61 -1.28 -0.34 0.00 0.00 178.44 177.33 3iud h SER 362 N -0.13 0.52 -0.03 1.25 0.87 0.67 -0.69 113.55 116.01 3iud h SER 362 Ca 0.02 0.06 -0.02 0.00 -1.23 0.00 0.00 61.79 60.62 3iud h SER 362 Cb 0.15 -0.03 0.00 0.00 -0.44 0.00 0.00 62.40 62.07 3iud h SER 362 CO -0.05 0.19 -0.06 1.23 -0.53 0.00 0.00 176.83 177.62 3iud h GLY 363 N 0.51 0.09 1.91 5.77 0.00 -0.71 -2.90 103.07 107.75 3iud h GLY 363 Ca 0.51 -0.11 -0.02 0.00 0.00 0.00 0.00 47.33 47.71 3iud h GLY 363 CO -0.24 0.10 -0.05 -0.97 0.00 0.00 0.00 176.54 175.37 3iud h TYR 364 N -0.46 0.11 -0.38 5.60 0.05 -0.23 -1.87 116.97 119.79 3iud h TYR 364 Ca 0.00 -0.00 -0.14 0.00 0.05 0.00 0.00 58.73 58.64 3iud h TYR 364 Cb 0.64 -0.04 -0.01 0.00 1.01 0.00 0.00 36.73 38.34 3iud h TYR 364 CO 0.12 0.18 -0.30 1.96 -1.05 0.00 0.00 178.16 179.07 3iud h GLN 365 N 0.11 0.88 -0.49 4.88 4.20 -1.19 0.16 115.11 123.67 3iud h GLN 365 Ca 0.03 -0.44 -0.02 0.00 0.06 0.00 0.00 58.65 58.28 3iud h GLN 365 Cb 0.18 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 27.94 3iud h GLN 365 CO 0.01 1.09 0.22 1.49 -0.67 0.00 0.00 178.83 180.96 3iud h GLU 366 N 0.69 0.71 -0.21 1.46 4.57 -1.17 -1.94 114.58 118.69 3iud h GLU 366 Ca 0.07 -0.11 0.00 0.00 -1.18 0.00 0.00 59.36 58.14 3iud h GLU 366 Cb 0.89 -0.12 0.00 0.00 -0.16 0.00 0.00 28.75 29.35 3iud h GLU 366 CO 0.08 0.61 0.00 -0.25 -1.18 0.00 0.00 179.01 178.27 3iud n ASP 367 N -4.60 1.03 -4.11 1.04 8.00 -0.77 -4.90 116.55 112.23 3iud n ASP 367 Ca 0.02 -2.01 -0.31 0.00 0.71 0.00 0.00 54.79 53.20 3iud n ASP 367 Cb 0.13 -0.14 -0.03 0.00 -0.02 0.00 0.00 41.12 41.06 3iud n ASP 367 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 3iud n ASN 368 N 0.05 -1.39 -4.23 -2.24 4.13 -0.73 -4.84 115.26 106.01 3iud n ASN 368 Ca 0.06 -1.04 -0.44 0.00 1.68 0.00 0.00 54.58 54.84 3iud n ASN 368 Cb 0.17 -2.74 0.00 0.00 -1.54 0.00 0.00 39.78 35.67 3iud n ASN 368 CO 0.00 0.00 0.00 -0.67 0.28 0.00 0.00 177.26 176.87 3iud n ASP 369 N -2.83 5.64 -0.30 6.41 -0.08 0.50 -4.88 116.55 121.01 3iud n ASP 369 Ca -0.15 -3.13 0.12 0.00 -1.51 0.00 0.00 54.79 50.12 3iud n ASP 369 Cb 0.61 -1.41 0.28 0.00 2.34 0.00 0.00 41.12 42.94 3iud n ASP 369 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 3iud h ALA 370 N 6.34 1.35 -0.19 -1.67 0.00 -1.88 -1.60 119.26 121.61 3iud h ALA 370 Ca 0.24 0.15 -0.04 0.00 0.00 0.00 0.00 54.91 55.27 3iud h ALA 370 Cb 0.78 0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.71 3iud h ALA 370 CO 1.22 -0.31 -0.03 1.25 0.00 0.00 0.00 179.25 181.37 3iud h LEU 371 N 0.41 0.35 -0.90 0.00 6.46 -1.96 -1.92 115.31 117.74 3iud h LEU 371 Ca 0.53 -0.35 -0.08 0.00 -0.12 0.00 0.00 57.88 57.86 3iud h LEU 371 Cb 0.97 -0.09 -0.01 0.00 -0.73 0.00 0.00 40.66 40.79 3iud h LEU 371 CO -0.51 0.61 -0.37 0.24 -0.62 0.00 0.00 178.44 177.80 3iud h MET 372 N 0.07 0.00 -0.01 1.25 2.86 -1.91 0.36 114.93 117.56 3iud h MET 372 Ca 0.05 0.00 -0.00 0.00 -2.06 0.00 0.00 59.70 57.69 3iud h MET 372 Cb 0.45 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 32.11 3iud h MET 372 CO 0.02 0.37 0.00 0.00 1.06 0.00 0.00 176.91 178.35 3iud h ALA 373 N 1.63 0.01 -0.39 6.32 0.00 -1.21 0.15 119.26 125.77 3iud h ALA 373 Ca -0.00 -0.14 -0.10 0.00 0.00 0.00 0.00 54.91 54.67 3iud h ALA 373 Cb 0.91 -0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.68 3iud h ALA 373 CO 0.05 -0.35 -0.16 0.00 0.00 0.00 0.00 179.25 178.79 3iud h THR 374 N -0.26 1.26 -0.21 0.00 1.03 -1.14 -2.64 112.91 110.96 3iud h THR 374 Ca 0.00 -1.22 -0.08 0.00 -0.01 0.00 0.00 66.41 65.10 3iud h THR 374 Cb 0.28 1.13 -0.01 0.00 -1.07 0.00 0.00 68.15 68.47 3iud h THR 374 CO 0.00 0.41 -0.22 -0.08 -0.01 0.00 0.00 175.52 175.62 3iud h GLU 375 N 0.65 0.37 -0.30 0.00 4.57 -0.76 -0.37 114.58 118.75 3iud h GLU 375 Ca 0.10 -0.12 -0.08 0.00 -1.18 0.00 0.00 59.36 58.08 3iud h GLU 375 Cb 0.64 -0.03 -0.02 0.00 -0.16 0.00 0.00 28.75 29.18 3iud h GLU 375 CO 0.04 0.58 -0.14 1.15 -1.18 0.00 0.00 179.01 179.46 3iud h THR 376 N 0.34 1.24 -0.18 0.32 2.02 -0.36 -0.14 112.91 116.15 3iud h THR 376 Ca 0.05 -1.07 -0.13 0.00 0.77 0.00 0.00 66.41 66.03 3iud h THR 376 Cb 0.58 1.17 0.00 0.00 -1.74 0.00 0.00 68.15 68.17 3iud h THR 376 CO 0.04 0.35 -0.39 0.25 0.37 0.00 0.00 175.52 176.14 3iud h LEU 377 N 0.47 0.65 -1.44 2.58 5.85 -1.12 -3.22 115.31 119.08 3iud h LEU 377 Ca 0.08 -0.56 -0.04 0.00 0.84 0.00 0.00 57.88 58.20 3iud h LEU 377 Cb 0.53 -0.19 -0.01 0.00 0.37 0.00 0.00 40.66 41.36 3iud h LEU 377 CO 0.03 1.10 -0.07 0.11 -0.34 0.00 0.00 178.44 179.26 3iud h LYS 378 N 0.24 0.27 -0.69 1.25 1.79 -0.66 -2.36 116.57 116.42 3iud h LYS 378 Ca 0.00 -0.05 -0.01 0.00 -2.18 0.00 0.00 60.65 58.41 3iud h LYS 378 Cb 1.00 -0.04 -0.03 0.00 -1.58 0.00 0.00 32.23 31.57 3iud h LYS 378 CO 0.09 0.36 0.40 0.00 -1.08 0.00 0.00 179.45 179.22 3iud h ARG 379 N 0.26 0.94 -0.02 3.15 3.08 -1.04 0.14 114.38 120.89 3iud h ARG 379 Ca 0.06 -0.09 -0.05 0.00 0.07 0.00 0.00 59.98 59.96 3iud h ARG 379 Cb 0.31 -0.19 0.00 0.00 0.08 0.00 0.00 29.97 30.17 3iud h ARG 379 CO 0.01 0.67 -0.20 0.00 -1.07 0.00 0.00 179.97 179.38 3iud h ALA 380 N 1.49 0.05 -0.84 0.04 0.00 -1.56 -3.22 119.26 115.20 3iud h ALA 380 Ca 0.25 -0.43 0.03 0.00 0.00 0.00 0.00 54.91 54.76 3iud h ALA 380 Cb -0.01 0.01 -0.05 0.00 0.00 0.00 0.00 17.79 17.74 3iud h ALA 380 CO -0.04 0.05 0.54 -0.92 0.00 0.00 0.00 179.25 178.88 3iud h TYR 381 N -0.48 1.02 0.00 0.00 3.20 -1.18 -2.25 116.97 117.29 3iud h TYR 381 Ca -0.02 0.03 0.00 0.00 3.14 0.00 0.00 58.73 61.88 3iud h TYR 381 Cb 0.92 -0.34 0.00 0.00 1.54 0.00 0.00 36.73 38.86 3iud h TYR 381 CO 0.17 0.59 0.00 0.00 -1.64 0.00 0.00 178.16 177.27 3iud h ARG 382 N 1.06 0.00 -6.43 1.82 3.08 -0.81 -3.44 114.38 109.66 3iud h ARG 382 Ca 0.34 0.00 -0.54 0.00 0.07 0.00 0.00 59.98 59.85 3iud h ARG 382 Cb 0.00 0.00 0.01 0.00 0.08 0.00 0.00 29.97 30.07 3iud h ARG 382 CO -0.11 0.00 0.92 0.99 -1.07 0.00 0.00 179.97 180.70 3iud s THR 383 N -3.70 3.28 -0.82 2.04 2.01 -0.85 -4.93 115.64 112.68 3iud s THR 383 Ca 0.00 0.73 -0.26 0.00 0.31 0.00 0.00 61.69 62.48 3iud s THR 383 Cb 0.10 -3.47 0.03 0.00 0.01 0.00 0.00 72.50 69.17 3iud s THR 383 CO 0.49 0.00 1.37 -0.62 -0.69 0.00 0.00 174.62 175.18 3iud s ASP 384 N 2.10 6.19 0.00 3.53 2.15 -1.26 -4.83 116.67 124.55 3iud s ASP 384 Ca 0.70 -0.70 0.20 0.00 0.43 0.00 0.00 52.55 53.18 3iud s ASP 384 Cb -0.37 -2.56 0.91 0.00 -0.30 0.00 0.00 42.92 40.60 3iud s ASP 384 CO 0.30 -1.79 1.62 1.33 -0.17 0.00 0.00 175.17 176.46 3iud n VAL 385 N 6.59 0.12 -0.30 1.11 0.24 -1.26 -4.39 118.33 120.43 3iud n VAL 385 Ca 0.13 -0.20 0.14 0.00 -2.04 0.00 0.00 64.34 62.38 3iud n VAL 385 Cb 0.50 0.09 0.32 0.00 -1.47 0.00 0.00 33.84 33.28 3iud n VAL 385 CO 0.00 0.00 0.00 -0.08 -2.14 0.00 0.00 176.83 174.61 3iud h GLU 386 N 1.27 0.29 -0.89 7.34 4.57 -1.98 0.22 114.58 125.41 3iud h GLU 386 Ca 0.00 -0.02 0.04 0.00 -1.18 0.00 0.00 59.36 58.20 3iud h GLU 386 Cb 0.28 -0.07 -0.05 0.00 -0.16 0.00 0.00 28.75 28.75 3iud h GLU 386 CO 0.00 0.19 0.59 -1.35 -1.18 0.00 0.00 179.01 177.26 3iud h PRO 387 N 0.30 1.06 -0.39 0.92 0.11 -1.93 -0.22 132.00 131.86 3iud h PRO 387 Ca 0.58 -0.06 -0.02 0.00 0.11 0.00 0.00 66.00 66.60 3iud h PRO 387 Cb 1.16 -0.24 -0.02 0.00 0.11 0.00 0.00 31.00 32.01 3iud h PRO 387 CO -0.59 0.70 0.15 0.82 -0.21 0.00 0.00 178.00 178.87 3iud h ILE 388 N 1.09 1.20 -0.66 4.15 2.04 -0.89 -0.81 117.51 123.62 3iud h ILE 388 Ca 0.36 -0.60 -0.00 0.00 1.00 0.00 0.00 64.86 65.62 3iud h ILE 388 Cb 0.06 0.87 -0.03 0.00 -0.74 0.00 0.00 36.82 36.98 3iud h ILE 388 CO -0.12 0.22 0.41 -0.07 0.00 0.00 0.00 178.15 178.59 3iud h LEU 389 N 0.48 0.79 -0.30 1.44 4.07 -0.88 -0.79 115.31 120.11 3iud h LEU 389 Ca 0.13 -0.05 -0.02 0.00 0.08 0.00 0.00 57.88 58.02 3iud h LEU 389 Cb 0.19 -0.20 -0.01 0.00 1.08 0.00 0.00 40.66 41.72 3iud h LEU 389 CO -0.01 0.60 0.12 0.00 -1.08 0.00 0.00 178.44 178.07 3iud h ALA 390 N 1.22 0.39 -0.67 1.53 0.00 -0.85 -2.18 119.26 118.71 3iud h ALA 390 Ca 0.24 -0.12 -0.05 0.00 0.00 0.00 0.00 54.91 54.98 3iud h ALA 390 Cb -0.05 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 17.59 3iud h ALA 390 CO -0.05 -0.01 0.22 1.49 0.00 0.00 0.00 179.25 180.90 3iud h GLU 391 N 0.34 1.01 -0.68 0.00 4.57 -0.91 -1.02 114.58 117.88 3iud h GLU 391 Ca 0.10 -0.20 0.03 0.00 -1.18 0.00 0.00 59.36 58.12 3iud h GLU 391 Cb 0.18 -0.16 -0.04 0.00 -0.16 0.00 0.00 28.75 28.57 3iud h GLU 391 CO -0.01 0.86 0.43 0.00 -1.18 0.00 0.00 179.01 179.10 3iud h ALA 392 N 1.26 0.89 -0.22 2.92 0.00 -0.89 -1.50 119.26 121.72 3iud h ALA 392 Ca 0.22 -0.02 -0.03 0.00 0.00 0.00 0.00 54.91 55.08 3iud h ALA 392 Cb 0.26 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.83 3iud h ALA 392 CO -0.01 0.19 0.02 0.00 0.00 0.00 0.00 179.25 179.45 3iud h ARG 393 N 0.83 0.37 -0.17 0.00 3.08 -0.75 -2.78 114.38 114.97 3iud h ARG 393 Ca 0.28 -0.11 0.05 0.00 0.07 0.00 0.00 59.98 60.27 3iud h ARG 393 Cb 0.02 -0.04 -0.06 0.00 0.08 0.00 0.00 29.97 29.97 3iud h ARG 393 CO -0.11 0.53 -0.27 -0.09 -1.07 0.00 0.00 179.97 178.96 3iud h ARG 394 N 0.16 -0.30 -0.11 0.04 2.43 -0.75 0.71 114.38 116.55 3iud h ARG 394 Ca 0.06 0.02 0.03 0.00 -0.81 0.00 0.00 59.98 59.29 3iud h ARG 394 Cb 0.35 0.07 -0.00 0.00 -0.42 0.00 0.00 29.97 29.96 3iud h ARG 394 CO 0.01 -0.20 0.08 0.00 -1.51 0.00 0.00 179.97 178.34 3iud h ARG 395 N -0.32 0.00 -0.62 0.20 3.08 -1.27 -2.87 114.38 112.59 3iud h ARG 395 Ca 0.11 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.16 3iud h ARG 395 Cb 0.49 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.54 3iud h ARG 395 CO -0.35 0.00 0.00 0.25 -1.07 0.00 0.00 179.97 178.80 3iud n THR 396 N -4.47 1.00 -0.36 2.04 -2.24 -0.76 -4.94 114.28 104.54 3iud n THR 396 Ca -0.00 -1.00 0.00 0.00 -2.27 0.00 0.00 64.05 60.78 3iud n THR 396 Cb 0.20 0.50 0.00 0.00 -2.10 0.00 0.00 70.33 68.93 3iud n THR 396 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3iud n GLY 397 N 1.31 0.80 1.60 3.38 0.00 -0.78 -4.99 105.19 106.50 3iud n GLY 397 Ca 0.21 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 46.13 3iud n GLY 397 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3iud n GLY 398 N -2.30 0.49 3.64 -0.02 0.00 0.24 -4.78 105.19 102.45 3iud n GLY 398 Ca 0.00 -1.95 -0.35 0.00 0.00 0.00 0.00 46.02 43.72 3iud n GLY 398 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3iud s ALA 399 N -3.05 3.29 0.29 4.61 0.00 -0.35 -4.13 121.76 122.42 3iud s ALA 399 Ca 0.28 -0.78 0.04 0.00 0.00 0.00 0.00 51.96 51.50 3iud s ALA 399 Cb -0.01 -1.65 0.67 0.00 0.00 0.00 0.00 23.12 22.13 3iud s ALA 399 CO 0.19 0.40 1.79 0.28 0.00 0.00 0.00 175.76 178.41 3iud h VAL 400 N 4.56 0.75 -2.93 0.00 2.07 -1.88 -3.20 116.25 115.63 3iud h VAL 400 Ca -0.43 -0.27 -0.61 0.00 0.82 0.00 0.00 66.70 66.21 3iud h VAL 400 Cb 1.19 -0.11 -0.40 0.00 -1.52 0.00 0.00 31.29 30.44 3iud h VAL 400 CO 0.61 0.15 -0.75 -0.62 0.02 0.00 0.00 177.57 176.97 3iud s ASP 401 N -5.48 3.54 0.16 0.57 -1.08 -1.26 -4.70 116.67 108.42 3iud s ASP 401 Ca -0.11 -2.65 -0.27 0.00 -0.52 0.00 0.00 52.55 49.00 3iud s ASP 401 Cb 0.24 -0.98 0.01 0.00 -1.46 0.00 0.00 42.92 40.73 3iud s ASP 401 CO 0.80 -0.26 1.57 -0.65 0.52 0.00 0.00 175.17 177.15 3iud h PRO 402 N 6.66 -0.27 -0.68 4.34 0.11 -1.83 -1.43 132.00 138.91 3iud h PRO 402 Ca 0.01 0.02 -0.05 0.00 0.11 0.00 0.00 66.00 66.09 3iud h PRO 402 Cb 0.92 0.06 -0.03 0.00 0.11 0.00 0.00 31.00 32.06 3iud h PRO 402 CO 0.47 -0.18 0.23 0.28 -0.21 0.00 0.00 178.00 178.59 3iud h VAL 403 N -0.28 1.24 -0.51 3.15 2.07 -1.94 0.20 116.25 120.19 3iud h VAL 403 Ca 0.16 -0.82 -0.03 0.00 0.82 0.00 0.00 66.70 66.84 3iud h VAL 403 Cb 0.57 0.47 -0.02 0.00 -1.52 0.00 0.00 31.29 30.79 3iud h VAL 403 CO -0.63 0.32 0.22 0.00 0.02 0.00 0.00 177.57 177.50 3iud h ALA 404 N 1.26 0.66 -0.54 1.67 0.00 -1.90 -0.70 119.26 119.71 3iud h ALA 404 Ca 0.22 -0.14 -0.10 0.00 0.00 0.00 0.00 54.91 54.89 3iud h ALA 404 Cb 0.25 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.82 3iud h ALA 404 CO -0.01 0.25 -0.05 1.15 0.00 0.00 0.00 179.25 180.59 3iud h THR 405 N 0.68 1.27 -0.61 0.00 2.02 -0.94 -1.52 112.91 113.81 3iud h THR 405 Ca 0.17 -1.18 0.05 0.00 0.77 0.00 0.00 66.41 66.22 3iud h THR 405 Cb 0.17 0.94 -0.05 0.00 -1.74 0.00 0.00 68.15 67.47 3iud h THR 405 CO -0.02 0.42 0.33 0.22 0.37 0.00 0.00 175.52 176.84 3iud h TYR 406 N 0.86 0.61 -0.07 3.16 3.20 -0.26 -1.92 116.97 122.56 3iud h TYR 406 Ca 0.15 0.02 -0.13 0.00 3.14 0.00 0.00 58.73 61.91 3iud h TYR 406 Cb 0.60 -0.19 -0.01 0.00 1.54 0.00 0.00 36.73 38.67 3iud h TYR 406 CO 0.04 0.31 -0.55 0.00 -1.64 0.00 0.00 178.16 176.32 3iud h ARG 407 N 0.63 0.19 0.00 1.82 3.08 -0.87 -3.05 114.38 116.19 3iud h ARG 407 Ca 0.27 -0.12 -0.10 0.00 0.07 0.00 0.00 59.98 60.09 3iud h ARG 407 Cb 0.14 0.01 -0.01 0.00 0.08 0.00 0.00 29.97 30.19 3iud h ARG 407 CO -0.16 0.69 -0.49 0.00 -1.07 0.00 0.00 179.97 178.94 3iud h ALA 408 N 1.29 0.93 0.00 0.04 0.00 -0.90 -2.89 119.26 117.73 3iud h ALA 408 Ca 0.00 -0.44 0.00 0.00 0.00 0.00 0.00 54.91 54.47 3iud h ALA 408 Cb 1.01 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.72 3iud h ALA 408 CO 0.08 0.61 0.00 0.66 0.00 0.00 0.00 179.25 180.60 3iud h SER 409 N 0.00 0.00 -1.73 0.00 4.64 -1.25 -3.47 113.55 111.75 3iud h SER 409 Ca -0.00 0.00 -0.34 0.00 -0.47 0.00 0.00 61.79 60.98 3iud h SER 409 Cb 1.04 0.00 -0.07 0.00 -0.31 0.00 0.00 62.40 63.06 3iud h SER 409 CO 0.06 0.00 -0.38 0.61 -0.87 0.00 0.00 176.83 176.25 3iud n GLY 410 N 0.70 0.51 0.24 -0.77 0.00 -1.09 -4.92 105.19 99.85 3iud n GLY 410 Ca 0.04 -0.20 -0.10 0.00 0.00 0.00 0.00 46.02 45.76 3iud n GLY 410 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 3iud h TYR 411 N 0.00 -0.52 -0.70 1.61 3.20 -1.85 -2.35 116.97 116.36 3iud h TYR 411 Ca -0.38 0.03 0.13 0.00 3.14 0.00 0.00 58.73 61.65 3iud h TYR 411 Cb 1.21 0.25 -0.09 0.00 1.54 0.00 0.00 36.73 39.64 3iud h TYR 411 CO 0.46 -0.28 0.25 -0.09 -1.64 0.00 0.00 178.16 176.86 3iud h ARG 412 N -0.26 0.39 -0.10 1.82 9.65 -1.91 0.82 114.38 124.79 3iud h ARG 412 Ca 0.10 -0.02 -0.07 0.00 -1.10 0.00 0.00 59.98 58.88 3iud h ARG 412 Cb 0.40 -0.09 -0.01 0.00 -1.39 0.00 0.00 29.97 28.88 3iud h ARG 412 CO -0.27 0.25 -0.26 0.00 2.80 0.00 0.00 179.97 182.50 3iud h ALA 413 N 1.52 1.38 0.81 2.80 0.00 -1.91 -0.34 119.26 123.51 3iud h ALA 413 Ca 0.38 -0.29 -0.04 0.00 0.00 0.00 0.00 54.91 54.96 3iud h ALA 413 Cb 0.56 -0.08 0.01 0.00 0.00 0.00 0.00 17.79 18.28 3iud h ALA 413 CO -0.39 0.44 -0.39 -0.09 0.00 0.00 0.00 179.25 178.81 3iud h ARG 414 N 0.17 -1.05 0.00 0.00 2.43 -0.34 -2.56 114.38 113.04 3iud h ARG 414 Ca 0.03 0.07 -0.02 0.00 -0.81 0.00 0.00 59.98 59.24 3iud h ARG 414 Cb 0.55 0.24 -0.00 0.00 -0.42 0.00 0.00 29.97 30.34 3iud h ARG 414 CO 0.04 -0.69 -0.12 -0.39 -1.51 0.00 0.00 179.97 177.30 3iud h VAL 415 N -1.27 0.75 -0.73 0.20 -1.51 -1.22 -1.87 116.25 110.59 3iud h VAL 415 Ca -0.11 -0.46 -0.03 0.00 -1.23 0.00 0.00 66.70 64.86 3iud h VAL 415 Cb 0.84 1.28 -0.03 0.00 -2.13 0.00 0.00 31.29 31.24 3iud h VAL 415 CO 0.18 0.12 0.32 0.00 -1.23 0.00 0.00 177.57 176.96 3iud h ALA 416 N 1.88 0.95 0.00 5.19 0.00 -0.93 0.21 119.26 126.56 3iud h ALA 416 Ca -0.00 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.74 3iud h ALA 416 Cb 0.27 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 17.77 3iud h ALA 416 CO 0.02 0.54 0.00 0.00 0.00 0.00 0.00 179.25 179.81 3iud h ALA 417 N 1.16 1.00 0.09 0.00 0.00 -0.93 -3.28 119.26 117.30 3iud h ALA 417 Ca 0.25 0.00 -0.36 0.00 0.00 0.00 0.00 54.91 54.80 3iud h ALA 417 Cb 0.16 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 17.93 3iud h ALA 417 CO -0.03 0.00 -2.00 0.39 0.00 0.00 0.00 179.25 177.62 3iud n GLU 418 N -2.88 0.73 -3.37 0.00 1.02 -0.89 -4.89 120.64 110.36 3iud n GLU 418 Ca 0.03 0.25 -0.38 0.00 -0.02 0.00 0.00 57.16 57.04 3iud n GLU 418 Cb 0.43 -1.71 -0.07 0.00 -0.02 0.00 0.00 31.44 30.07 3iud n GLU 418 CO 0.00 0.00 0.00 1.03 1.18 0.00 0.00 177.13 179.34 3iud s ARG 419 N -2.56 4.18 0.04 3.49 0.52 0.68 -5.06 118.95 120.24 3iud s ARG 419 Ca -0.20 0.24 -0.27 0.00 -0.52 0.00 0.00 55.73 54.97 3iud s ARG 419 Cb 0.07 -3.54 -0.05 0.00 0.52 0.00 0.00 34.95 31.95 3iud s ARG 419 CO 0.77 -0.05 0.85 -1.25 0.02 0.00 0.00 175.30 175.64 3iud s PRO 420 N 1.35 4.56 0.59 3.54 0.04 -1.26 -4.65 135.00 139.18 3iud s PRO 420 Ca 0.20 1.22 -0.16 0.00 0.04 0.00 0.00 61.00 62.30 3iud s PRO 420 Cb -0.15 -3.39 -0.04 0.00 0.04 0.00 0.00 34.50 30.96 3iud s PRO 420 CO 0.08 0.18 1.07 0.00 0.04 0.00 0.00 177.00 178.37 3iud s ALA 421 N 0.24 2.70 -2.93 8.56 0.00 -1.26 -4.96 121.76 124.12 3iud s ALA 421 Ca 0.43 0.45 0.25 0.00 0.00 0.00 0.00 51.96 53.09 3iud s ALA 421 Cb -0.21 -3.25 0.31 0.00 0.00 0.00 0.00 23.12 19.97 3iud s ALA 421 CO 0.25 -0.85 1.33 -1.13 0.00 0.00 0.00 175.76 175.37