#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3itv h ARG 5 N 0.00 0.77 -5.18 -1.08 2.47 -1.94 -3.40 114.38 106.03 3itv h ARG 5 Ca 0.00 -0.20 -0.65 0.00 -1.26 0.00 0.00 59.98 57.87 3itv h ARG 5 Cb 0.00 -0.09 -0.26 0.00 -1.65 0.00 0.00 29.97 27.97 3itv h ARG 5 CO 0.00 0.77 -0.72 0.42 0.56 0.00 0.00 179.97 181.01 3itv s ILE 6 N -4.99 3.44 0.23 2.04 1.09 -1.26 -5.03 121.20 116.72 3itv s ILE 6 Ca -0.09 -0.50 -0.32 0.00 -1.10 0.00 0.00 60.65 58.64 3itv s ILE 6 Cb 0.15 -2.52 -0.14 0.00 -1.06 0.00 0.00 42.46 38.89 3itv s ILE 6 CO 0.81 0.47 1.41 0.00 -0.10 0.00 0.00 174.94 177.53 3itv n ALA 7 N 4.07 1.01 0.01 9.38 0.00 -1.26 -4.87 120.51 128.84 3itv n ALA 7 Ca -0.18 0.42 0.03 0.00 0.00 0.00 0.00 53.44 53.71 3itv n ALA 7 Cb 0.52 -2.27 0.40 0.00 0.00 0.00 0.00 19.45 18.10 3itv n ALA 7 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.50 179.46 3itv h GLN 8 N 4.36 0.51 0.00 0.00 4.20 -1.98 -1.67 115.11 120.53 3itv h GLN 8 Ca -0.45 -0.05 -0.06 0.00 0.06 0.00 0.00 58.65 58.15 3itv h GLN 8 Cb 1.28 -0.10 -0.01 0.00 0.30 0.00 0.00 27.48 28.94 3itv h GLN 8 CO 0.77 0.40 -0.27 0.38 -0.67 0.00 0.00 178.83 179.43 3itv h ASP 9 N 0.52 0.00 -0.13 1.46 2.03 -1.99 0.54 116.42 118.85 3itv h ASP 9 Ca 0.13 0.00 -0.14 0.00 -0.73 0.00 0.00 57.03 56.29 3itv h ASP 9 Cb 0.05 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.56 3itv h ASP 9 CO -0.02 0.27 -0.47 0.58 -1.03 0.00 0.00 179.24 178.58 3itv h VAL 10 N 0.00 1.35 -0.41 4.15 2.07 -1.68 -0.27 116.25 121.46 3itv h VAL 10 Ca -0.00 -1.76 -0.01 0.00 0.82 0.00 0.00 66.70 65.75 3itv h VAL 10 Cb 0.49 2.08 -0.02 0.00 -1.52 0.00 0.00 31.29 32.32 3itv h VAL 10 CO 0.04 0.53 0.21 0.58 0.02 0.00 0.00 177.57 178.95 3itv h VAL 11 N 0.18 1.16 -0.23 2.57 2.07 -1.00 -0.37 116.25 120.64 3itv h VAL 11 Ca -0.02 -0.44 -0.01 0.00 0.82 0.00 0.00 66.70 67.05 3itv h VAL 11 Cb 1.10 0.71 -0.01 0.00 -1.52 0.00 0.00 31.29 31.57 3itv h VAL 11 CO 0.10 0.17 0.12 0.00 0.02 0.00 0.00 177.57 177.98 3itv h ALA 12 N 1.06 0.30 -0.47 1.67 0.00 -0.89 -1.28 119.26 119.65 3itv h ALA 12 Ca 0.14 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.98 3itv h ALA 12 Cb 0.09 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.76 3itv h ALA 12 CO -0.02 -0.15 0.31 -0.09 0.00 0.00 0.00 179.25 179.29 3itv h ARG 13 N 0.25 0.62 0.00 0.00 2.43 -0.84 0.15 114.38 117.00 3itv h ARG 13 Ca 0.08 -0.04 0.00 0.00 -0.81 0.00 0.00 59.98 59.21 3itv h ARG 13 Cb 0.10 -0.14 0.00 0.00 -0.42 0.00 0.00 29.97 29.51 3itv h ARG 13 CO -0.01 0.42 0.00 0.93 -1.51 0.00 0.00 179.97 179.80 3itv h GLU 14 N 0.63 0.00 0.11 0.20 4.39 -0.95 -2.19 114.58 116.78 3itv h GLU 14 Ca 0.17 0.00 -0.23 0.00 0.34 0.00 0.00 59.36 59.64 3itv h GLU 14 Cb -0.06 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.59 3itv h GLU 14 CO -0.04 0.00 -1.15 -0.91 -1.16 0.00 0.00 179.01 175.76 3itv h ASN 15 N 0.00 0.37 -0.96 1.42 -0.26 -0.64 -3.33 115.58 112.18 3itv h ASN 15 Ca 0.00 -0.87 0.03 0.00 -0.56 0.00 0.00 56.30 54.89 3itv h ASN 15 Cb 0.55 -0.12 -0.05 0.00 -1.06 0.00 0.00 38.32 37.63 3itv h ASN 15 CO 0.00 1.51 0.63 0.44 -1.06 0.00 0.00 177.43 178.95 3itv h ASP 16 N -0.39 1.06 0.48 5.81 3.32 -0.79 0.33 116.42 126.24 3itv h ASP 16 Ca -0.24 -0.02 0.00 0.00 0.02 0.00 0.00 57.03 56.79 3itv h ASP 16 Cb 1.67 -0.25 0.00 0.00 0.22 0.00 0.00 39.33 40.96 3itv h ASP 16 CO 0.07 0.74 0.00 -2.11 -1.72 0.00 0.00 179.24 176.23 3itv n ARG 17 N -4.42 0.13 0.00 3.56 1.85 -0.84 -2.72 116.66 114.22 3itv n ARG 17 Ca 0.12 0.15 0.00 0.00 -1.00 0.00 0.00 57.85 57.13 3itv n ARG 17 Cb 0.07 -1.50 0.00 0.00 -1.05 0.00 0.00 32.46 29.98 3itv n ARG 17 CO 0.00 0.00 0.00 0.54 -0.01 0.00 0.00 177.63 178.16 3itv n ARG 18 N -1.39 0.49 -0.16 2.89 1.74 -0.60 -4.80 116.66 114.83 3itv n ARG 18 Ca 0.06 -0.78 -0.10 0.00 -0.77 0.00 0.00 57.85 56.26 3itv n ARG 18 Cb 0.18 -0.91 -0.00 0.00 -1.02 0.00 0.00 32.46 30.70 3itv n ARG 18 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3itv h ALA 19 N 0.00 0.62 -0.38 7.54 0.00 -0.77 -2.63 119.26 123.64 3itv h ALA 19 Ca 0.00 -0.28 -0.00 0.00 0.00 0.00 0.00 54.91 54.63 3itv h ALA 19 Cb 0.28 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.89 3itv h ALA 19 CO 0.00 0.41 0.24 1.03 0.00 0.00 0.00 179.25 180.93 3itv h SER 20 N 0.66 0.45 -0.59 0.00 0.87 -1.87 -0.21 113.55 112.85 3itv h SER 20 Ca 0.13 -0.04 -0.07 0.00 -1.23 0.00 0.00 61.79 60.58 3itv h SER 20 Cb 0.50 -0.11 -0.02 0.00 -0.44 0.00 0.00 62.40 62.33 3itv h SER 20 CO 0.02 0.36 0.09 0.00 -0.53 0.00 0.00 176.83 176.78 3itv h ALA 21 N 1.11 0.79 -0.60 6.23 0.00 -1.91 -2.25 119.26 122.63 3itv h ALA 21 Ca 0.14 -0.26 -0.02 0.00 0.00 0.00 0.00 54.91 54.76 3itv h ALA 21 Cb -0.02 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 17.52 3itv h ALA 21 CO -0.03 0.54 0.28 1.25 0.00 0.00 0.00 179.25 181.30 3itv h LEU 22 N 0.89 0.80 -0.29 0.00 5.85 -1.20 -0.46 115.31 120.90 3itv h LEU 22 Ca 0.18 -0.14 0.03 0.00 0.84 0.00 0.00 57.88 58.79 3itv h LEU 22 Cb 0.43 -0.21 -0.03 0.00 0.37 0.00 0.00 40.66 41.22 3itv h LEU 22 CO 0.01 0.72 0.09 0.50 -0.34 0.00 0.00 178.44 179.42 3itv h LYS 23 N 0.83 0.21 -0.42 1.25 3.64 -0.82 0.26 116.57 121.52 3itv h LYS 23 Ca 0.21 -0.01 -0.01 0.00 -1.27 0.00 0.00 60.65 59.57 3itv h LYS 23 Cb 0.14 -0.05 -0.02 0.00 -0.41 0.00 0.00 32.23 31.89 3itv h LYS 23 CO -0.02 0.14 0.24 0.93 -2.27 0.00 0.00 179.45 178.46 3itv h GLU 24 N 0.22 0.58 -0.41 1.90 4.39 -1.04 -1.37 114.58 118.86 3itv h GLU 24 Ca 0.13 -0.07 -0.14 0.00 0.34 0.00 0.00 59.36 59.63 3itv h GLU 24 Cb 0.11 -0.12 -0.01 0.00 -0.10 0.00 0.00 28.75 28.63 3itv h GLU 24 CO -0.14 0.46 -0.30 -0.44 -1.16 0.00 0.00 179.01 177.43 3itv h ASP 25 N 0.55 0.93 -0.47 1.42 3.32 -0.72 -1.86 116.42 119.59 3itv h ASP 25 Ca 0.15 -0.38 -0.13 0.00 0.02 0.00 0.00 57.03 56.68 3itv h ASP 25 Cb 0.04 -0.26 -0.01 0.00 0.22 0.00 0.00 39.33 39.32 3itv h ASP 25 CO -0.02 1.15 -0.23 0.22 -1.72 0.00 0.00 179.24 178.64 3itv h TYR 26 N 0.75 1.13 -0.33 4.55 3.20 -0.38 -0.50 116.97 125.39 3itv h TYR 26 Ca 0.08 -0.28 -0.12 0.00 3.14 0.00 0.00 58.73 61.55 3itv h TYR 26 Cb 0.87 -0.26 -0.01 0.00 1.54 0.00 0.00 36.73 38.86 3itv h TYR 26 CO 0.05 1.10 -0.28 0.93 -1.64 0.00 0.00 178.16 178.32 3itv h GLU 27 N 0.82 0.69 -0.31 1.82 5.08 -1.23 0.61 114.58 122.06 3itv h GLU 27 Ca 0.10 -0.30 -0.08 0.00 -1.00 0.00 0.00 59.36 58.09 3itv h GLU 27 Cb 0.81 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 30.03 3itv h GLU 27 CO 0.07 0.89 -0.12 0.00 -1.00 0.00 0.00 179.01 178.86 3itv h ALA 28 N 1.09 0.44 -0.30 3.43 0.00 -1.19 -1.60 119.26 121.12 3itv h ALA 28 Ca 0.07 -0.31 -0.08 0.00 0.00 0.00 0.00 54.91 54.59 3itv h ALA 28 Cb 0.78 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.45 3itv h ALA 28 CO 0.06 0.30 -0.17 1.25 0.00 0.00 0.00 179.25 180.70 3itv h LEU 29 N 0.40 0.53 -0.78 0.00 5.85 -0.97 -1.27 115.31 119.07 3itv h LEU 29 Ca 0.07 -0.16 -0.02 0.00 0.84 0.00 0.00 57.88 58.61 3itv h LEU 29 Cb 0.63 -0.14 -0.04 0.00 0.37 0.00 0.00 40.66 41.48 3itv h LEU 29 CO 0.04 0.72 0.39 1.23 -0.34 0.00 0.00 178.44 180.48 3itv h GLY 30 N 0.97 1.18 0.99 3.75 0.00 -0.60 0.10 103.07 109.47 3itv h GLY 30 Ca 0.08 -0.57 -0.12 0.00 0.00 0.00 0.00 47.33 46.72 3itv h GLY 30 CO 0.04 0.54 -0.27 0.00 0.00 0.00 0.00 176.54 176.86 3itv h ALA 31 N 1.20 0.47 -0.36 3.60 0.00 -0.94 -0.42 119.26 122.81 3itv h ALA 31 Ca 0.27 -0.39 -0.01 0.00 0.00 0.00 0.00 54.91 54.77 3itv h ALA 31 Cb 0.09 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 17.76 3itv h ALA 31 CO -0.04 0.47 0.19 -0.97 0.00 0.00 0.00 179.25 178.90 3itv h ASN 32 N 0.52 0.46 -0.29 0.00 -0.73 -0.94 -1.20 115.58 113.41 3itv h ASN 32 Ca 0.06 -0.10 -0.08 0.00 1.87 0.00 0.00 56.30 58.04 3itv h ASN 32 Cb 0.83 -0.12 -0.02 0.00 0.27 0.00 0.00 38.32 39.29 3itv h ASN 32 CO 0.07 0.43 -0.08 -0.07 -0.37 0.00 0.00 177.43 177.41 3itv h LEU 33 N 0.45 0.66 -0.85 0.34 3.38 -0.75 -2.53 115.31 116.01 3itv h LEU 33 Ca 0.13 -0.18 -0.02 0.00 0.09 0.00 0.00 57.88 57.90 3itv h LEU 33 Cb 0.08 -0.18 -0.04 0.00 0.09 0.00 0.00 40.66 40.62 3itv h LEU 33 CO -0.02 0.78 0.47 0.00 0.09 0.00 0.00 178.44 179.77 3itv h ALA 34 N 1.29 1.09 0.00 1.53 0.00 -0.66 0.15 119.26 122.65 3itv h ALA 34 Ca 0.12 -0.12 -0.00 0.00 0.00 0.00 0.00 54.91 54.90 3itv h ALA 34 Cb 0.51 -0.34 -0.00 0.00 0.00 0.00 0.00 17.79 17.96 3itv h ALA 34 CO 0.03 0.59 -0.00 0.00 0.00 0.00 0.00 179.25 179.87 3itv h ARG 35 N 1.19 0.00 -0.45 0.00 3.08 -0.82 -1.31 114.38 116.06 3itv h ARG 35 Ca 0.30 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.35 3itv h ARG 35 Cb 0.02 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.07 3itv h ARG 35 CO -0.05 0.00 0.00 0.54 -1.07 0.00 0.00 179.97 179.39 3itv n ARG 36 N -3.10 2.42 -1.17 0.04 1.74 -0.08 -4.94 116.66 111.58 3itv n ARG 36 Ca -0.01 -2.17 -0.03 0.00 -0.77 0.00 0.00 57.85 54.87 3itv n ARG 36 Cb 0.21 -1.50 -0.01 0.00 -1.02 0.00 0.00 32.46 30.14 3itv n ARG 36 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3itv n GLY 37 N 1.48 0.55 3.34 -0.13 0.00 -0.49 -5.04 105.19 104.89 3itv n GLY 37 Ca 0.20 -0.95 -0.32 0.00 0.00 0.00 0.00 46.02 44.95 3itv n GLY 37 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3itv s VAL 38 N -2.10 2.44 -0.44 1.61 1.01 0.32 -4.99 120.40 118.25 3itv s VAL 38 Ca 0.00 -0.93 -0.20 0.00 0.00 0.00 0.00 61.98 60.85 3itv s VAL 38 Cb 0.00 -1.92 0.03 0.00 0.00 0.00 0.00 36.38 34.49 3itv s VAL 38 CO 0.00 0.57 0.62 -0.62 0.00 0.00 0.00 175.10 175.67 3itv s ASP 39 N -0.30 6.29 0.40 3.32 2.15 -1.26 -2.95 116.67 124.32 3itv s ASP 39 Ca 0.01 -0.45 0.13 0.00 0.43 0.00 0.00 52.55 52.66 3itv s ASP 39 Cb -0.13 -2.30 0.95 0.00 -0.30 0.00 0.00 42.92 41.14 3itv s ASP 39 CO 0.03 -0.77 1.91 -0.29 -0.17 0.00 0.00 175.17 175.88 3itv h ILE 40 N 5.86 0.83 -0.49 4.11 2.10 -1.92 -0.52 117.51 127.48 3itv h ILE 40 Ca -0.26 -0.18 -0.04 0.00 1.08 0.00 0.00 64.86 65.46 3itv h ILE 40 Cb 1.10 0.26 -0.02 0.00 -1.09 0.00 0.00 36.82 37.06 3itv h ILE 40 CO 0.89 0.10 0.15 -0.33 -1.08 0.00 0.00 178.15 177.88 3itv h GLU 41 N 0.53 0.72 -0.40 2.19 4.39 -1.98 -0.87 114.58 119.16 3itv h GLU 41 Ca 0.38 -0.12 -0.07 0.00 0.34 0.00 0.00 59.36 59.89 3itv h GLU 41 Cb 0.74 -0.12 -0.02 0.00 -0.10 0.00 0.00 28.75 29.25 3itv h GLU 41 CO -0.14 0.63 -0.04 0.00 -1.16 0.00 0.00 179.01 178.30 3itv h ALA 42 N 1.46 1.18 -0.22 3.43 0.00 -1.51 -0.59 119.26 123.01 3itv h ALA 42 Ca 0.16 -0.26 -0.14 0.00 0.00 0.00 0.00 54.91 54.68 3itv h ALA 42 Cb 0.22 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 17.84 3itv h ALA 42 CO -0.01 0.53 -0.40 0.28 0.00 0.00 0.00 179.25 179.66 3itv h VAL 43 N 0.62 1.32 -0.71 0.00 2.07 -1.20 -2.94 116.25 115.40 3itv h VAL 43 Ca 0.12 -1.61 -0.00 0.00 0.82 0.00 0.00 66.70 66.03 3itv h VAL 43 Cb 0.45 1.81 -0.04 0.00 -1.52 0.00 0.00 31.29 31.99 3itv h VAL 43 CO 0.02 0.50 0.44 0.74 0.02 0.00 0.00 177.57 179.30 3itv h THR 44 N 0.35 1.20 -0.66 2.57 2.02 -0.87 -0.80 112.91 116.71 3itv h THR 44 Ca 0.01 -0.41 -0.03 0.00 0.77 0.00 0.00 66.41 66.75 3itv h THR 44 Cb 0.99 0.18 -0.03 0.00 -1.74 0.00 0.00 68.15 67.55 3itv h THR 44 CO 0.09 0.20 0.31 0.00 0.37 0.00 0.00 175.52 176.49 3itv h ALA 45 N 1.51 1.29 0.03 6.16 0.00 -0.99 -1.62 119.26 125.64 3itv h ALA 45 Ca 0.26 -0.14 -0.22 0.00 0.00 0.00 0.00 54.91 54.81 3itv h ALA 45 Cb -0.06 -0.27 0.02 0.00 0.00 0.00 0.00 17.79 17.48 3itv h ALA 45 CO -0.05 0.54 -0.87 0.87 0.00 0.00 0.00 179.25 179.74 3itv h LYS 46 N 0.94 0.53 -0.90 0.00 1.79 -1.24 -3.32 116.57 114.37 3itv h LYS 46 Ca 0.23 -0.62 0.01 0.00 -2.18 0.00 0.00 60.65 58.09 3itv h LYS 46 Cb 0.12 0.19 -0.05 0.00 -1.58 0.00 0.00 32.23 30.91 3itv h LYS 46 CO -0.03 1.24 0.60 0.28 -1.08 0.00 0.00 179.45 180.46 3itv h VAL 47 N 0.09 1.23 0.00 0.50 2.07 -0.96 -1.88 116.25 117.30 3itv h VAL 47 Ca -0.12 -0.42 0.00 0.00 0.82 0.00 0.00 66.70 66.98 3itv h VAL 47 Cb 1.57 -0.10 0.00 0.00 -1.52 0.00 0.00 31.29 31.24 3itv h VAL 47 CO 0.17 0.22 0.00 -1.84 0.02 0.00 0.00 177.57 176.14 3itv n GLU 48 N -4.46 0.16 -0.16 1.57 0.28 -0.63 -1.75 120.64 115.66 3itv n GLU 48 Ca 0.10 0.49 0.11 0.00 -0.16 0.00 0.00 57.16 57.69 3itv n GLU 48 Cb 0.02 -1.87 0.18 0.00 1.43 0.00 0.00 31.44 31.20 3itv n GLU 48 CO 0.00 0.00 0.00 1.63 -0.16 0.00 0.00 177.13 178.60 3itv n LYS 49 N -2.18 2.31 -3.19 3.44 4.76 -0.72 -4.90 118.16 117.69 3itv n LYS 49 Ca 0.01 -2.12 -0.41 0.00 -2.87 0.00 0.00 58.31 52.92 3itv n LYS 49 Cb 0.15 -1.45 -0.07 0.00 -1.84 0.00 0.00 35.03 31.82 3itv n LYS 49 CO 0.00 0.00 0.00 0.12 -1.37 0.00 0.00 177.40 176.15 3itv s PHE 50 N -1.40 3.22 0.10 2.13 5.36 -0.72 -5.05 117.98 121.63 3itv s PHE 50 Ca 0.34 0.50 0.10 0.00 -0.96 0.00 0.00 56.93 56.91 3itv s PHE 50 Cb 0.20 -2.88 -0.04 0.00 -0.34 0.00 0.00 43.02 39.96 3itv s PHE 50 CO 0.28 -0.43 -0.26 -0.06 -1.46 0.00 0.00 175.22 173.30 3itv s PHE 51 N 2.46 2.21 -0.02 10.12 0.08 -1.26 -4.78 117.98 126.80 3itv s PHE 51 Ca 0.22 -0.39 0.01 0.00 0.12 0.00 0.00 56.93 56.89 3itv s PHE 51 Cb -0.15 -1.23 0.01 0.00 -0.57 0.00 0.00 43.02 41.08 3itv s PHE 51 CO 0.11 0.26 -0.02 0.54 -0.10 0.00 0.00 175.22 176.01 3itv s VAL 52 N -1.00 0.26 0.34 -0.44 0.11 -0.25 -4.65 120.40 114.77 3itv s VAL 52 Ca 0.12 -0.05 -0.26 0.00 -2.93 0.00 0.00 61.98 58.86 3itv s VAL 52 Cb -0.10 -0.29 -0.09 0.00 -1.53 0.00 0.00 36.38 34.37 3itv s VAL 52 CO 0.05 0.12 1.04 0.00 -3.33 0.00 0.00 175.10 172.98 3itv s ALA 53 N 0.47 3.22 -0.13 1.54 0.00 -0.10 -4.15 121.76 122.61 3itv s ALA 53 Ca -0.05 0.73 -0.07 0.00 0.00 0.00 0.00 51.96 52.57 3itv s ALA 53 Cb -0.08 -3.27 -0.04 0.00 0.00 0.00 0.00 23.12 19.73 3itv s ALA 53 CO -0.01 -0.12 0.14 0.14 0.00 0.00 0.00 175.76 175.91 3itv s VAL 54 N -1.47 5.48 0.05 0.00 -7.23 -0.57 -0.76 120.40 115.90 3itv s VAL 54 Ca 0.52 0.20 -0.30 0.00 -1.81 0.00 0.00 61.98 60.59 3itv s VAL 54 Cb -0.25 -3.40 -0.04 0.00 0.56 0.00 0.00 36.38 33.25 3itv s VAL 54 CO 0.32 0.60 0.99 -2.16 -0.31 0.00 0.00 175.10 174.54 3itv s PRO 55 N -0.91 4.60 0.41 4.82 0.04 -1.25 -0.80 135.00 141.91 3itv s PRO 55 Ca 0.14 1.46 0.08 0.00 0.04 0.00 0.00 61.00 62.73 3itv s PRO 55 Cb -0.12 -3.42 0.87 0.00 0.04 0.00 0.00 34.50 31.87 3itv s PRO 55 CO 0.03 0.03 2.03 0.66 0.04 0.00 0.00 177.00 179.79 3itv h SER 56 N 6.33 0.38 -0.02 6.66 4.64 -1.68 -0.45 113.55 129.41 3itv h SER 56 Ca -0.42 -0.03 0.00 0.00 -0.47 0.00 0.00 61.79 60.88 3itv h SER 56 Cb 1.22 -0.10 0.00 0.00 -0.31 0.00 0.00 62.40 63.21 3itv h SER 56 CO 0.74 0.33 0.00 -2.67 -0.87 0.00 0.00 176.83 174.36 3itv n TRP 57 N -4.43 0.02 0.43 4.77 2.14 -1.26 -3.51 117.44 115.59 3itv n TRP 57 Ca 0.02 -0.01 0.10 0.00 2.07 0.00 0.00 57.50 59.68 3itv n TRP 57 Cb 0.11 0.00 -0.14 0.00 -0.81 0.00 0.00 31.31 30.47 3itv n TRP 57 CO 0.00 0.00 0.00 0.41 2.07 0.00 0.00 177.69 180.17 3itv n GLY 58 N 0.76 -0.97 0.02 -1.67 0.00 -0.18 -4.32 105.19 98.83 3itv n GLY 58 Ca 0.11 -0.54 0.14 0.00 0.00 0.00 0.00 46.02 45.73 3itv n GLY 58 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 3itv n VAL 59 N -1.91 0.00 -3.78 1.61 0.24 -1.23 -4.68 118.33 108.59 3itv n VAL 59 Ca -0.00 -0.01 -0.21 0.00 -2.04 0.00 0.00 64.34 62.07 3itv n VAL 59 Cb 0.45 -0.30 -0.02 0.00 -1.47 0.00 0.00 33.84 32.50 3itv n VAL 59 CO 0.00 0.00 0.00 -0.83 -2.14 0.00 0.00 176.83 173.86 3itv s GLY 60 N -2.85 1.29 0.18 7.63 0.00 -1.26 -4.62 107.32 107.68 3itv s GLY 60 Ca 0.18 -1.19 -0.30 0.00 0.00 0.00 0.00 44.72 43.41 3itv s GLY 60 CO 0.54 -1.18 1.13 -1.59 0.00 0.00 0.00 173.10 172.00 3itv s THR 61 N -2.08 3.75 0.59 0.90 2.01 -1.26 -4.58 115.64 114.98 3itv s THR 61 Ca 0.37 1.51 0.01 0.00 0.31 0.00 0.00 61.69 63.88 3itv s THR 61 Cb -0.09 -3.96 0.12 0.00 0.01 0.00 0.00 72.50 68.57 3itv s THR 61 CO 0.31 0.26 0.81 0.61 -0.69 0.00 0.00 174.62 175.91 3itv n GLY 62 N 2.07 0.79 2.89 4.40 0.00 -0.08 -4.94 105.19 110.32 3itv n GLY 62 Ca 0.03 -2.04 -0.09 0.00 0.00 0.00 0.00 46.02 43.93 3itv n GLY 62 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3itv n GLY 63 N -1.29 1.53 3.60 -0.02 0.00 -1.26 -4.41 105.19 103.34 3itv n GLY 63 Ca 0.14 -1.32 -0.32 0.00 0.00 0.00 0.00 46.02 44.52 3itv n GLY 63 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3itv n THR 64 N -0.44 0.00 0.37 2.61 -2.24 -0.43 -5.00 114.28 109.16 3itv n THR 64 Ca -0.05 -2.38 0.09 0.00 -2.27 0.00 0.00 64.05 59.45 3itv n THR 64 Cb 0.47 0.48 0.41 0.00 -2.10 0.00 0.00 70.33 69.58 3itv n THR 64 CO 0.00 0.00 0.00 -2.11 -0.57 0.00 0.00 175.07 172.39 3itv n ARG 65 N -1.25 0.11 0.03 -0.78 1.85 -1.26 -2.74 116.66 112.62 3itv n ARG 65 Ca -0.21 0.40 -0.17 0.00 -1.00 0.00 0.00 57.85 56.87 3itv n ARG 65 Cb 0.64 -1.73 -0.14 0.00 -1.05 0.00 0.00 32.46 30.17 3itv n ARG 65 CO 0.00 0.00 0.00 0.74 -0.01 0.00 0.00 177.63 178.36 3itv h PHE 66 N 0.00 0.40 -1.24 2.89 0.04 -2.05 -3.50 116.94 113.48 3itv h PHE 66 Ca 0.00 -0.29 0.33 0.00 2.80 0.00 0.00 57.97 60.81 3itv h PHE 66 Cb 0.26 -0.02 -0.16 0.00 2.20 0.00 0.00 35.95 38.23 3itv h PHE 66 CO 0.00 1.47 0.91 0.00 -0.60 0.00 0.00 178.31 180.09 3itv s ALA 67 N -2.59 -2.28 -0.06 2.45 0.00 -1.11 -5.14 121.76 113.03 3itv s ALA 67 Ca -0.13 1.22 0.00 0.00 0.00 0.00 0.00 51.96 53.05 3itv s ALA 67 Cb 0.07 0.06 0.02 0.00 0.00 0.00 0.00 23.12 23.27 3itv s ALA 67 CO 0.82 -0.85 -0.05 0.50 0.00 0.00 0.00 175.76 176.18 3itv s ARG 68 N -2.23 0.97 -0.67 0.00 3.52 -1.26 -1.32 118.95 117.96 3itv s ARG 68 Ca 0.13 -0.11 -0.00 0.00 -0.13 0.00 0.00 55.73 55.62 3itv s ARG 68 Cb 0.03 -1.03 0.17 0.00 -1.56 0.00 0.00 34.95 32.56 3itv s ARG 68 CO -0.04 -0.14 0.48 -0.06 -0.81 0.00 0.00 175.30 174.72 3itv s PHE 69 N 1.22 3.47 0.60 5.12 0.08 -1.26 -5.06 117.98 122.15 3itv s PHE 69 Ca -0.06 -2.96 -0.19 0.00 0.12 0.00 0.00 56.93 53.84 3itv s PHE 69 Cb -0.14 -3.06 -0.03 0.00 -0.57 0.00 0.00 43.02 39.22 3itv s PHE 69 CO -0.02 -0.76 1.27 -1.25 -0.10 0.00 0.00 175.22 174.36 3itv s PRO 70 N -0.57 2.85 0.00 0.24 0.04 -1.26 -4.95 135.00 131.34 3itv s PRO 70 Ca 0.20 1.99 0.00 0.00 0.04 0.00 0.00 61.00 63.23 3itv s PRO 70 Cb -0.17 -1.96 0.00 0.00 0.04 0.00 0.00 34.50 32.41 3itv s PRO 70 CO -0.06 -1.35 0.00 0.41 0.04 0.00 0.00 177.00 176.04 3itv n GLY 71 N 0.71 1.27 3.91 0.56 0.00 -1.26 -5.10 105.19 105.29 3itv n GLY 71 Ca 0.14 -1.99 -0.27 0.00 0.00 0.00 0.00 46.02 43.90 3itv n GLY 71 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3itv s THR 72 N 0.99 4.96 -1.44 2.61 -4.23 -1.26 -4.28 115.64 112.98 3itv s THR 72 Ca 0.00 0.08 -0.09 0.00 -1.18 0.00 0.00 61.69 60.50 3itv s THR 72 Cb 0.00 -3.83 0.03 0.00 1.34 0.00 0.00 72.50 70.04 3itv s THR 72 CO 0.00 -0.66 0.96 0.61 -0.54 0.00 0.00 174.62 175.00 3itv n GLY 73 N -1.81 -0.53 3.71 3.99 0.00 -1.26 -4.79 105.19 104.50 3itv n GLY 73 Ca -0.01 0.21 -0.42 0.00 0.00 0.00 0.00 46.02 45.80 3itv n GLY 73 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3itv s GLU 74 N -6.20 4.20 0.12 1.61 0.41 -1.26 -4.74 118.70 112.83 3itv s GLU 74 Ca 0.52 2.40 -0.31 0.00 -0.41 0.00 0.00 54.97 57.17 3itv s GLU 74 Cb -0.24 -3.24 -0.07 0.00 -1.78 0.00 0.00 34.13 28.79 3itv s GLU 74 CO 0.64 -0.66 1.27 -1.25 -0.49 0.00 0.00 175.26 174.78 3itv s PRO 75 N 1.49 4.40 -0.31 0.39 0.04 -1.26 -4.97 135.00 134.78 3itv s PRO 75 Ca 0.72 1.92 0.00 0.00 0.04 0.00 0.00 61.00 63.68 3itv s PRO 75 Cb -0.44 -3.28 0.07 0.00 0.04 0.00 0.00 34.50 30.90 3itv s PRO 75 CO 0.32 -0.28 0.01 1.03 0.04 0.00 0.00 177.00 178.12 3itv s ARG 76 N 0.68 2.14 0.00 4.56 1.81 -1.26 -4.85 118.95 122.03 3itv s ARG 76 Ca 0.59 -1.49 0.00 0.00 -1.72 0.00 0.00 55.73 53.12 3itv s ARG 76 Cb -0.33 -3.17 0.00 0.00 -0.45 0.00 0.00 34.95 31.00 3itv s ARG 76 CO 0.32 -0.73 0.00 0.41 -0.68 0.00 0.00 175.30 174.62 3itv n GLY 77 N 4.50 1.05 0.28 -3.53 0.00 -1.26 -4.37 105.19 101.86 3itv n GLY 77 Ca -0.09 -1.82 0.04 0.00 0.00 0.00 0.00 46.02 44.16 3itv n GLY 77 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 3itv h ILE 78 N 0.00 1.10 -0.20 -0.61 6.09 -1.89 -2.17 117.51 119.83 3itv h ILE 78 Ca 0.00 -0.28 -0.02 0.00 -1.37 0.00 0.00 64.86 63.19 3itv h ILE 78 Cb 0.00 0.78 -0.01 0.00 0.47 0.00 0.00 36.82 38.07 3itv h ILE 78 CO 0.00 0.11 0.05 -0.26 -3.07 0.00 0.00 178.15 174.98 3itv h PHE 79 N 0.35 0.33 -0.76 2.19 0.04 -1.97 0.14 116.94 117.26 3itv h PHE 79 Ca 0.09 -0.04 -0.05 0.00 2.80 0.00 0.00 57.97 60.77 3itv h PHE 79 Cb 0.05 -0.09 -0.03 0.00 2.20 0.00 0.00 35.95 38.08 3itv h PHE 79 CO 0.00 0.44 0.28 -0.44 -0.60 0.00 0.00 178.31 177.99 3itv h ASP 80 N 0.13 1.07 -0.68 2.17 3.32 -1.72 -2.38 116.42 118.33 3itv h ASP 80 Ca 0.06 -0.18 -0.05 0.00 0.02 0.00 0.00 57.03 56.89 3itv h ASP 80 Cb 0.27 -0.28 -0.03 0.00 0.22 0.00 0.00 39.33 39.52 3itv h ASP 80 CO 0.00 0.96 0.24 0.11 -1.72 0.00 0.00 179.24 178.83 3itv h LYS 81 N 1.12 1.03 -0.62 3.56 1.57 -1.11 -2.24 116.57 119.87 3itv h LYS 81 Ca 0.25 -0.21 -0.07 0.00 -1.87 0.00 0.00 60.65 58.75 3itv h LYS 81 Cb 0.25 -0.16 -0.03 0.00 0.08 0.00 0.00 32.23 32.37 3itv h LYS 81 CO -0.02 0.88 0.11 -0.07 -0.57 0.00 0.00 179.45 179.79 3itv h LEU 82 N 0.97 0.96 -0.96 2.94 3.38 -0.53 0.06 115.31 122.12 3itv h LEU 82 Ca 0.22 -0.21 0.05 0.00 0.09 0.00 0.00 57.88 58.03 3itv h LEU 82 Cb 0.26 -0.25 -0.06 0.00 0.09 0.00 0.00 40.66 40.70 3itv h LEU 82 CO -0.01 0.95 0.63 0.44 0.09 0.00 0.00 178.44 180.53 3itv h ASP 83 N 0.95 1.03 0.07 -0.43 3.32 -1.03 -0.35 116.42 119.97 3itv h ASP 83 Ca 0.19 -0.00 -0.22 0.00 0.02 0.00 0.00 57.03 57.02 3itv h ASP 83 Cb 0.39 -0.23 0.01 0.00 0.22 0.00 0.00 39.33 39.72 3itv h ASP 83 CO 0.01 0.69 -0.84 0.44 -1.72 0.00 0.00 179.24 177.82 3itv h ASP 84 N 1.19 0.75 -0.23 6.45 3.32 -0.89 -3.06 116.42 123.95 3itv h ASP 84 Ca 0.40 -0.53 -0.02 0.00 0.02 0.00 0.00 57.03 56.90 3itv h ASP 84 Cb 0.06 -0.22 -0.02 0.00 0.22 0.00 0.00 39.33 39.37 3itv h ASP 84 CO -0.14 1.31 0.08 0.00 -1.72 0.00 0.00 179.24 178.77 3itv h ALA 86 N 1.67 1.76 -0.47 0.00 0.00 -0.97 -1.96 119.26 119.30 3itv h ALA 86 Ca 0.10 -0.02 -0.08 0.00 0.00 0.00 0.00 54.91 54.91 3itv h ALA 86 Cb 0.15 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.79 3itv h ALA 86 CO -0.01 0.22 -0.02 0.28 0.00 0.00 0.00 179.25 179.72 3itv h VAL 87 N 0.46 1.27 -0.48 0.00 2.07 -1.34 -0.99 116.25 117.23 3itv h VAL 87 Ca 0.13 -1.10 0.00 0.00 0.82 0.00 0.00 66.70 66.55 3itv h VAL 87 Cb -0.04 1.04 -0.02 0.00 -1.52 0.00 0.00 31.29 30.75 3itv h VAL 87 CO -0.03 0.38 0.30 0.40 0.02 0.00 0.00 177.57 178.64 3itv h ILE 88 N 0.69 1.14 -0.37 4.57 2.04 -1.32 -1.68 117.51 122.58 3itv h ILE 88 Ca 0.13 -0.29 -0.07 0.00 1.00 0.00 0.00 64.86 65.62 3itv h ILE 88 Cb 0.54 0.48 -0.01 0.00 -0.74 0.00 0.00 36.82 37.08 3itv h ILE 88 CO 0.03 0.14 -0.06 -0.61 0.00 0.00 0.00 178.15 177.64 3itv h GLN 89 N 0.64 0.69 -0.74 2.37 5.75 -1.35 -0.76 115.11 121.71 3itv h GLN 89 Ca 0.17 -0.25 0.01 0.00 -0.15 0.00 0.00 58.65 58.43 3itv h GLN 89 Cb -0.03 -0.05 -0.04 0.00 1.07 0.00 0.00 27.48 28.43 3itv h GLN 89 CO -0.03 0.83 0.49 0.37 -2.65 0.00 0.00 178.83 177.83 3itv h GLN 90 N 0.49 0.96 0.11 1.69 4.15 -0.96 0.39 115.11 121.94 3itv h GLN 90 Ca 0.10 -0.06 -0.28 0.00 0.77 0.00 0.00 58.65 59.18 3itv h GLN 90 Cb 0.56 -0.22 -0.00 0.00 0.21 0.00 0.00 27.48 28.03 3itv h GLN 90 CO 0.03 0.64 -1.34 -0.07 -1.93 0.00 0.00 178.83 176.16 3itv h LEU 91 N 0.99 0.36 0.00 -2.39 3.38 -1.26 -3.35 115.31 113.04 3itv h LEU 91 Ca 0.27 -0.43 -0.26 0.00 0.09 0.00 0.00 57.88 57.56 3itv h LEU 91 Cb -0.10 -0.12 -0.05 0.00 0.09 0.00 0.00 40.66 40.48 3itv h LEU 91 CO -0.06 1.34 -2.28 0.35 0.09 0.00 0.00 178.44 177.88 3itv n THR 92 N -3.47 0.98 -1.43 0.22 -2.24 -0.30 -1.18 114.28 106.86 3itv n THR 92 Ca -0.11 -0.75 -0.15 0.00 -2.27 0.00 0.00 64.05 60.77 3itv n THR 92 Cb 1.02 -0.33 -0.06 0.00 -2.10 0.00 0.00 70.33 68.86 3itv n THR 92 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 3itv n ARG 93 N -2.61 -1.50 0.00 -0.78 5.12 0.14 -4.81 116.66 112.23 3itv n ARG 93 Ca -0.25 1.02 0.05 0.00 -1.93 0.00 0.00 57.85 56.74 3itv n ARG 93 Cb 0.99 -5.37 0.01 0.00 -1.16 0.00 0.00 32.46 26.92 3itv n ARG 93 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 3itv n ALA 94 N 1.28 2.75 -3.07 7.54 0.00 -1.26 -4.75 120.51 122.99 3itv n ALA 94 Ca -0.15 -0.46 -0.24 0.00 0.00 0.00 0.00 53.44 52.59 3itv n ALA 94 Cb 0.60 -0.35 -0.04 0.00 0.00 0.00 0.00 19.45 19.67 3itv n ALA 94 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 3itv n THR 95 N -0.07 1.70 0.32 0.00 -2.24 -1.26 -1.09 114.28 111.63 3itv n THR 95 Ca 0.04 -5.14 0.14 0.00 -2.27 0.00 0.00 64.05 56.83 3itv n THR 95 Cb 0.22 -1.03 0.63 0.00 -2.10 0.00 0.00 70.33 68.04 3itv n THR 95 CO 0.00 0.00 0.00 1.55 -0.57 0.00 0.00 175.07 176.05 3itv h PRO 96 N 3.09 0.00 -6.84 -0.78 0.13 -1.85 -3.40 132.00 122.34 3itv h PRO 96 Ca 0.12 0.00 -0.69 0.00 -0.87 0.00 0.00 66.00 64.56 3itv h PRO 96 Cb 0.70 0.00 -0.23 0.00 0.13 0.00 0.00 31.00 31.60 3itv h PRO 96 CO 0.69 0.00 -0.87 -0.80 -0.23 0.00 0.00 178.00 176.79 3itv s ASN 97 N -4.64 3.25 -0.01 1.44 0.01 -1.26 -0.12 114.94 113.61 3itv s ASN 97 Ca 0.01 -0.70 0.05 0.00 -0.71 0.00 0.00 52.86 51.51 3itv s ASN 97 Cb 0.09 -0.24 -0.03 0.00 0.41 0.00 0.00 41.25 41.49 3itv s ASN 97 CO 0.39 0.20 -0.17 -0.69 -1.51 0.00 0.00 177.10 175.32 3itv s VAL 98 N -0.99 2.84 -0.24 1.60 1.01 -0.05 -1.51 120.40 123.07 3itv s VAL 98 Ca 0.13 -0.94 -0.14 0.00 0.00 0.00 0.00 61.98 61.03 3itv s VAL 98 Cb -0.10 -2.13 -0.04 0.00 0.00 0.00 0.00 36.38 34.11 3itv s VAL 98 CO 0.05 0.50 0.33 -0.44 0.00 0.00 0.00 175.10 175.53 3itv s SER 99 N -0.98 6.28 0.13 3.32 0.01 0.02 -0.63 113.70 121.86 3itv s SER 99 Ca 0.13 0.32 -0.03 0.00 1.31 0.00 0.00 55.95 57.68 3itv s SER 99 Cb -0.10 -2.19 -0.05 0.00 0.21 0.00 0.00 66.02 63.88 3itv s SER 99 CO 0.02 -0.08 0.33 -0.76 0.41 0.00 0.00 173.24 173.16 3itv s LEU 100 N 1.54 4.29 -0.11 2.44 1.43 -1.25 -1.64 118.68 125.38 3itv s LEU 100 Ca 0.14 0.47 0.02 0.00 -1.03 0.00 0.00 54.13 53.74 3itv s LEU 100 Cb -0.15 -3.20 0.01 0.00 0.03 0.00 0.00 46.19 42.89 3itv s LEU 100 CO 0.08 0.07 -0.16 -2.28 0.23 0.00 0.00 176.35 174.28 3itv s HIS 101 N -1.65 2.06 -0.09 0.29 2.46 -1.26 -1.20 115.29 115.89 3itv s HIS 101 Ca 0.39 -0.95 -0.01 0.00 0.47 0.00 0.00 55.06 54.95 3itv s HIS 101 Cb -0.12 -1.46 -0.03 0.00 -0.13 0.00 0.00 32.58 30.83 3itv s HIS 101 CO 0.26 -0.47 -0.02 0.42 -2.47 0.00 0.00 174.74 172.46 3itv s ILE 102 N 0.90 4.11 -2.09 0.89 -1.09 -0.38 0.09 121.20 123.61 3itv s ILE 102 Ca -0.08 -0.32 0.29 0.00 -2.23 0.00 0.00 60.65 58.31 3itv s ILE 102 Cb -0.15 -2.72 0.78 0.00 -1.58 0.00 0.00 42.46 38.79 3itv s ILE 102 CO -0.00 0.60 2.05 -0.81 -1.23 0.00 0.00 174.94 175.54 3itv n PRO 103 N 2.26 1.14 -0.23 2.79 -0.04 -1.26 -2.25 135.00 137.41 3itv n PRO 103 Ca -0.18 -0.20 0.03 0.00 -0.04 0.00 0.00 63.50 63.10 3itv n PRO 103 Cb 0.53 -1.46 0.14 0.00 -0.04 0.00 0.00 33.50 32.67 3itv n PRO 103 CO 0.00 0.00 0.00 -1.49 -0.04 0.00 0.00 175.50 173.97 3itv h TRP 104 N 0.47 0.35 -0.66 0.54 6.55 -1.88 -2.21 115.95 119.11 3itv h TRP 104 Ca 0.00 0.04 -0.26 0.00 0.95 0.00 0.00 58.89 59.62 3itv h TRP 104 Cb 0.10 -0.05 -0.15 0.00 -0.86 0.00 0.00 29.16 28.19 3itv h TRP 104 CO 0.00 0.02 0.33 -0.25 -1.05 0.00 0.00 178.44 177.49 3itv n ASP 105 N -5.06 4.03 -4.74 -3.49 8.00 0.11 -4.64 116.55 110.75 3itv n ASP 105 Ca 0.11 -3.07 -0.42 0.00 0.71 0.00 0.00 54.79 52.13 3itv n ASP 105 Cb 0.36 -0.72 -0.02 0.00 -0.02 0.00 0.00 41.12 40.72 3itv n ASP 105 CO 0.00 0.00 0.00 -0.54 -0.39 0.00 0.00 177.20 176.27 3itv s LYS 106 N -2.53 4.17 -0.02 -1.24 1.02 -0.83 -4.85 119.74 115.46 3itv s LYS 106 Ca 0.44 2.49 -0.30 0.00 0.02 0.00 0.00 55.97 58.62 3itv s LYS 106 Cb 0.36 -3.06 0.11 0.00 -0.52 0.00 0.00 37.83 34.72 3itv s LYS 106 CO 0.10 -0.58 1.14 0.00 -0.92 0.00 0.00 175.35 175.09 3itv s ALA 107 N 0.17 -2.01 0.11 5.17 0.00 -1.26 -4.90 121.76 119.04 3itv s ALA 107 Ca 0.64 0.83 -0.31 0.00 0.00 0.00 0.00 51.96 53.12 3itv s ALA 107 Cb -0.46 0.32 -0.10 0.00 0.00 0.00 0.00 23.12 22.87 3itv s ALA 107 CO 0.44 -0.89 1.86 0.34 0.00 0.00 0.00 175.76 177.51 3itv s ASP 108 N -2.71 6.42 0.21 0.00 2.15 -1.26 -4.87 116.67 116.61 3itv s ASP 108 Ca 0.11 2.75 -0.11 0.00 0.43 0.00 0.00 52.55 55.74 3itv s ASP 108 Cb 0.01 -2.56 0.28 0.00 -0.30 0.00 0.00 42.92 40.35 3itv s ASP 108 CO -0.03 -1.02 1.70 -0.65 -0.17 0.00 0.00 175.17 174.99 3itv h PRO 109 N 8.96 0.21 -0.94 4.34 0.11 -1.97 0.36 132.00 143.06 3itv h PRO 109 Ca -0.47 -0.01 0.02 0.00 0.11 0.00 0.00 66.00 65.65 3itv h PRO 109 Cb 1.22 -0.05 -0.05 0.00 0.11 0.00 0.00 31.00 32.23 3itv h PRO 109 CO 0.95 0.14 0.62 0.87 -0.21 0.00 0.00 178.00 180.36 3itv h LYS 110 N 0.21 1.19 -0.44 1.05 1.57 -1.89 -0.70 116.57 117.57 3itv h LYS 110 Ca 0.31 -0.07 -0.13 0.00 -1.87 0.00 0.00 60.65 58.88 3itv h LYS 110 Cb 0.46 -0.27 -0.01 0.00 0.08 0.00 0.00 32.23 32.49 3itv h LYS 110 CO -0.42 0.79 -0.25 1.49 -0.57 0.00 0.00 179.45 180.49 3itv h GLU 111 N 1.23 0.92 -0.04 3.15 4.81 -1.64 -1.45 114.58 121.56 3itv h GLU 111 Ca 0.36 -0.40 -0.00 0.00 -0.13 0.00 0.00 59.36 59.19 3itv h GLU 111 Cb -0.07 -0.03 -0.00 0.00 0.63 0.00 0.00 28.75 29.29 3itv h GLU 111 CO -0.10 1.06 0.02 -0.07 -0.73 0.00 0.00 179.01 179.18 3itv h LEU 112 N 0.79 0.05 -0.66 1.64 3.38 -0.40 -0.99 115.31 119.11 3itv h LEU 112 Ca 0.10 -0.12 -0.01 0.00 0.09 0.00 0.00 57.88 57.94 3itv h LEU 112 Cb 0.81 -0.01 -0.03 0.00 0.09 0.00 0.00 40.66 41.52 3itv h LEU 112 CO 0.07 0.15 0.39 0.50 0.09 0.00 0.00 178.44 179.64 3itv h LYS 113 N -0.06 0.90 -0.88 1.13 1.63 -1.11 -0.93 116.57 117.25 3itv h LYS 113 Ca 0.01 -0.09 -0.01 0.00 -0.85 0.00 0.00 60.65 59.71 3itv h LYS 113 Cb 0.12 -0.18 -0.04 0.00 -0.60 0.00 0.00 32.23 31.52 3itv h LYS 113 CO -0.00 0.65 0.49 0.00 -3.45 0.00 0.00 179.45 177.14 3itv h ALA 114 N 1.20 1.12 -0.43 5.00 0.00 -1.10 -0.67 119.26 124.38 3itv h ALA 114 Ca 0.23 -0.12 -0.09 0.00 0.00 0.00 0.00 54.91 54.93 3itv h ALA 114 Cb -0.01 -0.35 -0.01 0.00 0.00 0.00 0.00 17.79 17.42 3itv h ALA 114 CO -0.04 0.62 -0.10 -0.09 0.00 0.00 0.00 179.25 179.64 3itv h ARG 115 N 1.22 0.82 -0.20 0.00 9.65 -0.72 -2.11 114.38 123.04 3itv h ARG 115 Ca 0.31 -0.31 -0.01 0.00 -1.10 0.00 0.00 59.98 58.87 3itv h ARG 115 Cb 0.01 -0.05 -0.01 0.00 -1.39 0.00 0.00 29.97 28.53 3itv h ARG 115 CO -0.05 0.93 0.10 0.78 2.80 0.00 0.00 179.97 184.53 3itv h GLY 116 N 0.64 0.31 0.67 2.80 0.00 -0.83 -1.96 103.07 104.70 3itv h GLY 116 Ca 0.11 -0.15 0.07 0.00 0.00 0.00 0.00 47.33 47.35 3itv h GLY 116 CO 0.04 0.14 0.46 -0.55 0.00 0.00 0.00 176.54 176.63 3itv h ASP 117 N 0.20 0.69 0.25 0.19 3.32 -1.06 0.44 116.42 120.45 3itv h ASP 117 Ca 0.07 0.03 -0.07 0.00 0.02 0.00 0.00 57.03 57.08 3itv h ASP 117 Cb 0.11 -0.11 -0.01 0.00 0.22 0.00 0.00 39.33 39.54 3itv h ASP 117 CO -0.01 0.44 -0.29 0.00 -1.72 0.00 0.00 179.24 177.65 3itv h ALA 118 N 1.39 1.44 -0.01 3.45 0.00 -1.11 -2.76 119.26 121.66 3itv h ALA 118 Ca 0.35 -0.29 0.00 0.00 0.00 0.00 0.00 54.91 54.97 3itv h ALA 118 Cb 0.21 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.94 3itv h ALA 118 CO -0.19 0.41 -0.31 1.28 0.00 0.00 0.00 179.25 180.44 3itv n LEU 119 N -4.17 1.07 -0.66 0.00 4.77 -0.70 -4.94 117.00 112.37 3itv n LEU 119 Ca -0.02 -0.29 -0.04 0.00 -0.03 0.00 0.00 56.01 55.63 3itv n LEU 119 Cb 0.36 -0.12 0.00 0.00 -2.33 0.00 0.00 43.42 41.33 3itv n LEU 119 CO 0.39 0.20 -0.02 0.61 -1.33 0.00 0.00 177.39 177.24 3itv n GLY 120 N 1.36 0.37 3.28 -0.72 0.00 -0.34 -4.90 105.19 104.25 3itv n GLY 120 Ca 0.11 -0.65 -0.29 0.00 0.00 0.00 0.00 46.02 45.19 3itv n GLY 120 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3itv s LEU 121 N -1.48 2.08 0.00 0.99 1.43 -0.00 -4.90 118.68 116.80 3itv s LEU 121 Ca 0.04 -0.47 0.05 0.00 -1.03 0.00 0.00 54.13 52.72 3itv s LEU 121 Cb -0.02 -1.19 0.05 0.00 0.03 0.00 0.00 46.19 45.06 3itv s LEU 121 CO 0.05 0.27 0.43 0.61 0.23 0.00 0.00 176.35 177.93 3itv n GLY 122 N 2.28 2.64 3.16 -3.19 0.00 0.83 -3.93 105.19 106.99 3itv n GLY 122 Ca -0.16 -2.27 -0.31 0.00 0.00 0.00 0.00 46.02 43.28 3itv n GLY 122 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3itv s PHE 123 N -2.41 2.35 0.00 1.61 0.08 -1.26 -0.87 117.98 117.49 3itv s PHE 123 Ca 0.32 -1.02 0.00 0.00 0.12 0.00 0.00 56.93 56.36 3itv s PHE 123 Cb -0.03 -1.60 0.00 0.00 -0.57 0.00 0.00 43.02 40.82 3itv s PHE 123 CO 0.21 -0.44 0.00 -3.47 -0.10 0.00 0.00 175.22 171.41 3itv n ASP 124 N 3.75 0.00 -4.75 1.36 2.03 0.20 -4.25 116.55 114.89 3itv n ASP 124 Ca -0.20 0.00 -0.41 0.00 0.52 0.00 0.00 54.79 54.71 3itv n ASP 124 Cb 0.52 0.00 0.01 0.00 -0.72 0.00 0.00 41.12 40.93 3itv n ASP 124 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 3itv n ALA 125 N -3.00 1.92 -1.81 -1.67 0.00 -1.26 -4.57 120.51 110.11 3itv n ALA 125 Ca 0.00 0.28 -0.32 0.00 0.00 0.00 0.00 53.44 53.40 3itv n ALA 125 Cb 0.00 -2.36 -0.02 0.00 0.00 0.00 0.00 19.45 17.06 3itv n ALA 125 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 177.50 175.86 3itv s MET 126 N -2.27 3.81 -0.10 0.00 -1.94 0.07 -3.79 119.30 115.07 3itv s MET 126 Ca 0.59 0.97 0.01 0.00 -1.71 0.00 0.00 55.69 55.55 3itv s MET 126 Cb -0.48 -2.11 0.02 0.00 2.01 0.00 0.00 34.83 34.27 3itv s MET 126 CO 0.60 -0.39 -0.11 -0.80 -0.01 0.00 0.00 175.02 174.30 3itv s ASN 127 N -3.14 2.19 0.47 3.03 0.01 -0.34 -0.32 114.94 116.83 3itv s ASN 127 Ca 0.59 -0.35 -0.06 0.00 -0.71 0.00 0.00 52.86 52.33 3itv s ASN 127 Cb -0.11 -0.93 -0.04 0.00 0.41 0.00 0.00 41.25 40.58 3itv s ASN 127 CO 0.35 -0.05 0.79 -0.94 -1.51 0.00 0.00 177.10 175.74 3itv s SER 128 N 1.28 6.31 -0.37 -1.22 1.04 -1.17 -1.25 113.70 118.32 3itv s SER 128 Ca -0.02 0.98 0.01 0.00 0.48 0.00 0.00 55.95 57.40 3itv s SER 128 Cb -0.14 -2.27 0.12 0.00 0.10 0.00 0.00 66.02 63.83 3itv s SER 128 CO -0.04 -0.55 0.17 0.21 0.98 0.00 0.00 173.24 174.00 3itv s ASN 129 N -3.92 3.77 -0.21 7.02 3.84 -0.96 -4.68 114.94 119.80 3itv s ASN 129 Ca 0.48 -2.11 0.12 0.00 0.21 0.00 0.00 52.86 51.57 3itv s ASN 129 Cb -0.10 -0.89 0.44 0.00 -0.55 0.00 0.00 41.25 40.14 3itv s ASN 129 CO 0.43 -0.34 1.20 0.35 -2.79 0.00 0.00 177.10 175.94 3itv n THR 130 N 4.22 2.00 -0.21 -5.21 -2.24 -1.26 -4.60 114.28 106.98 3itv n THR 130 Ca 0.04 -3.27 0.04 0.00 -2.27 0.00 0.00 64.05 58.59 3itv n THR 130 Cb 0.38 -0.27 0.11 0.00 -2.10 0.00 0.00 70.33 68.45 3itv n THR 130 CO 0.00 0.00 0.00 2.22 -0.57 0.00 0.00 175.07 176.72 3itv n PHE 131 N -0.78 0.33 -3.58 4.78 1.16 -1.26 -4.59 117.46 113.52 3itv n PHE 131 Ca 0.24 -0.54 -0.12 0.00 -1.87 0.00 0.00 57.45 55.16 3itv n PHE 131 Cb 0.83 -0.06 -0.04 0.00 -1.61 0.00 0.00 39.48 38.60 3itv n PHE 131 CO 0.00 0.00 0.00 -1.54 -1.87 0.00 0.00 176.76 173.35 3itv s SER 132 N -1.13 -0.36 -0.16 5.98 1.04 -1.26 -4.93 113.70 112.88 3itv s SER 132 Ca 0.17 -0.10 -0.10 0.00 0.48 0.00 0.00 55.95 56.40 3itv s SER 132 Cb 0.10 0.50 -0.05 0.00 0.10 0.00 0.00 66.02 66.68 3itv s SER 132 CO 0.10 -0.83 0.18 -1.81 0.98 0.00 0.00 173.24 171.86 3itv s ASP 133 N -2.51 6.34 0.16 7.02 1.01 -1.26 -4.83 116.67 122.60 3itv s ASP 133 Ca -0.00 0.39 -0.02 0.00 0.71 0.00 0.00 52.55 53.63 3itv s ASP 133 Cb 0.00 -2.11 -0.05 0.00 1.01 0.00 0.00 42.92 41.78 3itv s ASP 133 CO -0.09 0.24 0.35 0.00 0.21 0.00 0.00 175.17 175.88 3itv s ALA 134 N -0.11 3.86 0.40 5.23 0.00 -1.26 -5.05 121.76 124.83 3itv s ALA 134 Ca 0.12 -0.76 -0.26 0.00 0.00 0.00 0.00 51.96 51.06 3itv s ALA 134 Cb -0.12 -1.99 -0.11 0.00 0.00 0.00 0.00 23.12 20.90 3itv s ALA 134 CO 0.02 0.58 1.23 -2.30 0.00 0.00 0.00 175.76 175.28 3itv n PRO 135 N -0.28 1.87 -0.90 0.00 -0.02 -1.26 -2.09 135.00 132.33 3itv n PRO 135 Ca -0.04 0.66 0.00 0.00 -2.02 0.00 0.00 63.50 62.10 3itv n PRO 135 Cb 0.53 -2.30 0.00 0.00 -0.02 0.00 0.00 33.50 31.71 3itv n PRO 135 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3itv n GLY 136 N 0.87 0.72 3.73 -1.23 0.00 -1.26 -4.98 105.19 103.04 3itv n GLY 136 Ca 0.07 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.67 3itv n GLY 136 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 3itv s GLN 137 N -0.26 4.13 0.15 1.61 0.74 -0.89 -4.92 119.66 120.22 3itv s GLN 137 Ca 0.00 2.59 -0.11 0.00 0.05 0.00 0.00 55.36 57.89 3itv s GLN 137 Cb 0.00 -3.07 -0.03 0.00 1.10 0.00 0.00 33.01 31.01 3itv s GLN 137 CO 0.00 -0.72 1.50 0.00 -0.55 0.00 0.00 175.29 175.52 3itv h ALA 138 N 6.40 0.60 -3.89 1.58 0.00 -1.93 -3.44 119.26 118.58 3itv h ALA 138 Ca -0.44 -0.43 -0.61 0.00 0.00 0.00 0.00 54.91 53.43 3itv h ALA 138 Cb 1.20 -0.14 -0.31 0.00 0.00 0.00 0.00 17.79 18.54 3itv h ALA 138 CO 0.92 0.66 -0.86 -1.01 0.00 0.00 0.00 179.25 178.96 3itv s HIS 139 N -4.51 2.00 0.34 0.00 3.76 -1.26 -5.13 115.29 110.49 3itv s HIS 139 Ca -0.11 -0.61 -0.21 0.00 -0.15 0.00 0.00 55.06 53.98 3itv s HIS 139 Cb 0.11 -1.34 -0.10 0.00 1.11 0.00 0.00 32.58 32.37 3itv s HIS 139 CO 0.87 -0.20 0.86 0.45 -0.85 0.00 0.00 174.74 175.87 3itv s SER 140 N 0.01 7.03 -0.09 1.40 0.15 -1.26 -4.97 113.70 115.97 3itv s SER 140 Ca -0.05 1.58 0.17 0.00 0.70 0.00 0.00 55.95 58.35 3itv s SER 140 Cb -0.13 -2.49 0.63 0.00 -1.71 0.00 0.00 66.02 62.32 3itv s SER 140 CO 0.03 -0.17 1.52 -1.22 1.20 0.00 0.00 173.24 174.60 3itv n TYR 141 N -0.00 1.27 -0.25 3.44 4.01 -1.26 -4.54 117.16 119.83 3itv n TYR 141 Ca 0.03 -0.52 0.06 0.00 -0.16 0.00 0.00 57.90 57.32 3itv n TYR 141 Cb 0.52 -0.20 0.19 0.00 -0.31 0.00 0.00 39.34 39.55 3itv n TYR 141 CO 0.00 0.00 0.00 -0.22 -0.46 0.00 0.00 176.86 176.18 3itv h LYS 142 N 3.64 0.27 -0.53 -0.72 3.64 -1.95 -0.99 116.57 119.93 3itv h LYS 142 Ca 0.00 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.36 3itv h LYS 142 Cb 1.26 -0.06 0.00 0.00 -0.41 0.00 0.00 32.23 33.02 3itv h LYS 142 CO 0.18 0.18 0.00 0.66 -2.27 0.00 0.00 179.45 178.20 3itv n TYR 143 N -5.15 1.69 0.00 1.91 4.01 -1.26 -5.05 117.16 113.30 3itv n TYR 143 Ca 0.15 -0.73 0.00 0.00 -0.16 0.00 0.00 57.90 57.16 3itv n TYR 143 Cb 0.48 -0.40 0.00 0.00 -0.31 0.00 0.00 39.34 39.11 3itv n TYR 143 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3itv n GLY 144 N 0.51 1.38 0.00 2.72 0.00 -0.38 -4.67 105.19 104.76 3itv n GLY 144 Ca 0.26 -2.11 0.00 0.00 0.00 0.00 0.00 46.02 44.16 3itv n GLY 144 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3itv n SER 145 N 0.00 0.00 0.31 1.61 3.41 -1.26 -4.23 113.62 113.46 3itv n SER 145 Ca 0.00 0.00 0.20 0.00 -0.26 0.00 0.00 58.87 58.81 3itv n SER 145 Cb 0.00 0.00 1.03 0.00 -0.26 0.00 0.00 64.21 64.98 3itv n SER 145 CO 0.00 0.00 0.00 -0.07 -0.16 0.00 0.00 175.04 174.81 3itv h LEU 146 N 0.00 0.00 -3.00 1.04 3.38 -1.87 -2.35 115.31 112.51 3itv h LEU 146 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3itv h LEU 146 Cb 0.00 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.75 3itv h LEU 146 CO 0.00 0.02 0.00 -1.54 0.09 0.00 0.00 178.44 177.01 3itv n SER 147 N -3.24 2.55 -4.69 -0.43 3.41 -1.26 -3.93 113.62 106.02 3itv n SER 147 Ca -0.02 -2.29 -0.37 0.00 -0.26 0.00 0.00 58.87 55.93 3itv n SER 147 Cb 0.14 -0.20 0.07 0.00 -0.26 0.00 0.00 64.21 63.95 3itv n SER 147 CO 0.00 0.00 0.00 1.57 -0.16 0.00 0.00 175.04 176.45 3itv n HIS 148 N -0.34 1.55 0.19 7.33 -0.00 -0.89 -4.80 115.22 118.27 3itv n HIS 148 Ca 0.08 0.42 0.05 0.00 -0.00 0.00 0.00 57.72 58.28 3itv n HIS 148 Cb 0.44 -2.22 0.38 0.00 -0.00 0.00 0.00 29.99 28.59 3itv n HIS 148 CO 0.00 0.00 0.00 1.79 -0.00 0.00 0.00 176.34 178.13 3itv h THR 149 N 0.44 0.97 -3.33 3.57 1.35 -1.91 -3.43 112.91 110.57 3itv h THR 149 Ca -0.50 -1.38 -0.58 0.00 -0.55 0.00 0.00 66.41 63.40 3itv h THR 149 Cb 1.35 1.81 -0.07 0.00 -1.73 0.00 0.00 68.15 69.51 3itv h THR 149 CO 0.52 0.35 0.30 0.21 -0.25 0.00 0.00 175.52 176.66 3itv s ASN 150 N -6.54 6.93 0.20 5.36 2.47 -1.26 -4.97 114.94 117.13 3itv s ASN 150 Ca -0.01 1.14 -0.11 0.00 0.42 0.00 0.00 52.86 54.30 3itv s ASN 150 Cb 0.12 -2.44 0.23 0.00 -1.45 0.00 0.00 41.25 37.72 3itv s ASN 150 CO 0.69 -0.33 1.74 0.00 -3.72 0.00 0.00 177.10 175.47 3itv h ALA 151 N 7.25 0.69 -0.22 1.71 0.00 -2.00 -1.93 119.26 124.76 3itv h ALA 151 Ca -0.32 0.08 -0.02 0.00 0.00 0.00 0.00 54.91 54.66 3itv h ALA 151 Cb 1.15 0.07 -0.01 0.00 0.00 0.00 0.00 17.79 19.00 3itv h ALA 151 CO 0.81 -0.23 0.05 0.00 0.00 0.00 0.00 179.25 179.89 3itv h ALA 152 N 1.39 1.69 -0.27 0.00 0.00 -1.97 -0.68 119.26 119.42 3itv h ALA 152 Ca 0.28 -0.09 -0.12 0.00 0.00 0.00 0.00 54.91 54.97 3itv h ALA 152 Cb 0.34 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 18.03 3itv h ALA 152 CO -0.30 0.24 -0.30 1.15 0.00 0.00 0.00 179.25 180.04 3itv h THR 153 N 0.30 1.30 -0.72 0.00 2.02 -1.72 -1.16 112.91 112.93 3itv h THR 153 Ca 0.08 -1.48 -0.05 0.00 0.77 0.00 0.00 66.41 65.73 3itv h THR 153 Cb 0.12 1.62 -0.03 0.00 -1.74 0.00 0.00 68.15 68.12 3itv h THR 153 CO -0.00 0.47 0.26 0.03 0.37 0.00 0.00 175.52 176.65 3itv h ARG 154 N 0.42 1.09 -0.83 6.66 3.08 -1.04 -1.66 114.38 122.11 3itv h ARG 154 Ca 0.04 -0.21 -0.01 0.00 0.07 0.00 0.00 59.98 59.87 3itv h ARG 154 Cb 0.88 -0.17 -0.04 0.00 0.08 0.00 0.00 29.97 30.72 3itv h ARG 154 CO 0.07 0.91 0.48 0.00 -1.07 0.00 0.00 179.97 180.37 3itv h ALA 155 N 1.13 1.07 -0.68 0.04 0.00 -1.00 0.16 119.26 119.97 3itv h ALA 155 Ca 0.24 -0.11 -0.04 0.00 0.00 0.00 0.00 54.91 55.00 3itv h ALA 155 Cb 0.25 -0.33 -0.03 0.00 0.00 0.00 0.00 17.79 17.67 3itv h ALA 155 CO -0.01 0.55 0.28 0.37 0.00 0.00 0.00 179.25 180.44 3itv h GLN 156 N 1.15 1.01 -0.57 0.00 4.15 -0.79 -0.50 115.11 119.56 3itv h GLN 156 Ca 0.30 -0.18 -0.11 0.00 0.77 0.00 0.00 58.65 59.43 3itv h GLN 156 Cb -0.01 -0.17 -0.02 0.00 0.21 0.00 0.00 27.48 27.50 3itv h GLN 156 CO -0.05 0.84 -0.08 0.00 -1.93 0.00 0.00 178.83 177.61 3itv h ALA 157 N 1.12 0.78 -0.32 3.38 0.00 -0.77 -1.60 119.26 121.86 3itv h ALA 157 Ca 0.23 -0.34 -0.03 0.00 0.00 0.00 0.00 54.91 54.77 3itv h ALA 157 Cb 0.20 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.77 3itv h ALA 157 CO -0.02 0.68 0.10 0.28 0.00 0.00 0.00 179.25 180.29 3itv h VAL 158 N 0.94 1.20 -0.81 0.00 2.07 -0.68 -2.26 116.25 116.72 3itv h VAL 158 Ca 0.15 -0.66 -0.00 0.00 0.82 0.00 0.00 66.70 67.01 3itv h VAL 158 Cb 0.65 1.03 -0.04 0.00 -1.52 0.00 0.00 31.29 31.41 3itv h VAL 158 CO 0.04 0.22 0.48 -0.08 0.02 0.00 0.00 177.57 178.26 3itv h GLU 159 N 0.36 1.09 -0.65 1.57 4.57 -0.94 -1.27 114.58 119.31 3itv h GLU 159 Ca 0.10 -0.10 -0.01 0.00 -1.18 0.00 0.00 59.36 58.18 3itv h GLU 159 Cb 0.24 -0.23 -0.03 0.00 -0.16 0.00 0.00 28.75 28.57 3itv h GLU 159 CO -0.00 0.77 0.37 1.25 -1.18 0.00 0.00 179.01 180.21 3itv h HIS 160 N 1.11 0.89 -0.41 0.92 2.76 -1.02 -0.68 115.15 118.71 3itv h HIS 160 Ca 0.29 -0.02 -0.07 0.00 -2.20 0.00 0.00 60.37 58.37 3itv h HIS 160 Cb -0.04 -0.29 -0.02 0.00 1.55 0.00 0.00 27.41 28.61 3itv h HIS 160 CO 0.00 0.62 -0.05 -0.91 -1.30 0.00 0.00 177.93 176.30 3itv h ASN 161 N 0.89 0.67 0.01 3.26 2.35 -0.81 -1.49 115.58 120.46 3itv h ASN 161 Ca 0.23 -0.17 -0.09 0.00 -0.55 0.00 0.00 56.30 55.72 3itv h ASN 161 Cb 0.02 -0.18 -0.01 0.00 0.05 0.00 0.00 38.32 38.20 3itv h ASN 161 CO -0.04 0.77 -0.27 -0.07 -1.65 0.00 0.00 177.43 176.17 3itv h LEU 162 N 0.64 0.42 -0.80 1.61 3.38 -0.71 -2.06 115.31 117.78 3itv h LEU 162 Ca 0.12 -0.14 -0.08 0.00 0.09 0.00 0.00 57.88 57.87 3itv h LEU 162 Cb 0.48 -0.11 -0.02 0.00 0.09 0.00 0.00 40.66 41.09 3itv h LEU 162 CO 0.02 0.69 0.05 -0.08 0.09 0.00 0.00 178.44 179.21 3itv h GLU 163 N 0.37 0.95 -0.46 1.13 4.81 -0.44 -1.52 114.58 119.41 3itv h GLU 163 Ca 0.05 -0.26 -0.04 0.00 -0.13 0.00 0.00 59.36 58.99 3itv h GLU 163 Cb 0.68 -0.11 -0.02 0.00 0.63 0.00 0.00 28.75 29.92 3itv h GLU 163 CO 0.05 0.91 0.12 0.00 -0.73 0.00 0.00 179.01 179.36 3itv h ILE 165 N 0.66 1.27 -0.71 0.00 2.04 -0.80 -0.95 117.51 119.02 3itv h ILE 165 Ca 0.15 -1.29 -0.05 0.00 1.00 0.00 0.00 64.86 64.67 3itv h ILE 165 Cb 0.23 1.02 -0.03 0.00 -0.74 0.00 0.00 36.82 37.29 3itv h ILE 165 CO -0.01 0.45 0.26 -0.33 0.00 0.00 0.00 178.15 178.53 3itv h GLU 166 N 0.89 1.08 -0.38 2.37 4.39 -0.60 -0.12 114.58 122.20 3itv h GLU 166 Ca 0.13 -0.21 -0.06 0.00 0.34 0.00 0.00 59.36 59.57 3itv h GLU 166 Cb 0.71 -0.17 -0.01 0.00 -0.10 0.00 0.00 28.75 29.18 3itv h GLU 166 CO 0.05 0.90 0.02 0.82 -1.16 0.00 0.00 179.01 179.64 3itv h ILE 167 N 1.03 1.25 -0.77 3.13 1.08 -1.09 -2.77 117.51 119.38 3itv h ILE 167 Ca 0.23 -0.96 -0.00 0.00 -0.39 0.00 0.00 64.86 63.74 3itv h ILE 167 Cb 0.25 1.14 -0.04 0.00 -3.07 0.00 0.00 36.82 35.10 3itv h ILE 167 CO -0.01 0.32 0.46 1.23 -0.69 0.00 0.00 178.15 179.46 3itv h GLY 168 N 0.48 1.11 1.01 5.37 0.00 -0.84 -2.36 103.07 107.84 3itv h GLY 168 Ca 0.11 -0.46 0.03 0.00 0.00 0.00 0.00 47.33 47.01 3itv h GLY 168 CO 0.02 0.45 0.59 0.50 0.00 0.00 0.00 176.54 178.09 3itv h LYS 169 N 1.05 1.09 0.00 4.80 1.57 -0.91 -0.47 116.57 123.70 3itv h LYS 169 Ca 0.28 -0.07 -0.06 0.00 -1.87 0.00 0.00 60.65 58.93 3itv h LYS 169 Cb -0.04 -0.25 -0.01 0.00 0.08 0.00 0.00 32.23 32.02 3itv h LYS 169 CO -0.05 0.72 -0.27 0.00 -0.57 0.00 0.00 179.45 179.28 3itv h ALA 170 N 1.48 1.04 -0.05 3.86 0.00 -1.15 -3.27 119.26 121.16 3itv h ALA 170 Ca 0.35 -0.24 0.00 0.00 0.00 0.00 0.00 54.91 55.02 3itv h ALA 170 Cb 0.01 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.76 3itv h ALA 170 CO -0.10 0.33 0.00 0.44 0.00 0.00 0.00 179.25 179.92 3itv n ILE 171 N -3.47 0.09 0.00 0.00 -5.35 -0.86 -4.86 119.36 104.90 3itv n ILE 171 Ca -0.00 -0.55 0.00 0.00 -0.27 0.00 0.00 62.75 61.93 3itv n ILE 171 Cb 0.44 1.21 0.00 0.00 -1.74 0.00 0.00 39.64 39.55 3itv n ILE 171 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3itv n GLY 172 N 0.75 0.79 3.80 3.28 0.00 -0.63 -4.65 105.19 108.53 3itv n GLY 172 Ca 0.08 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.79 3itv n GLY 172 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3itv s SER 173 N -2.38 5.34 -0.04 1.61 0.15 -0.28 -4.82 113.70 113.28 3itv s SER 173 Ca 0.00 1.76 0.08 0.00 0.70 0.00 0.00 55.95 58.49 3itv s SER 173 Cb 0.00 -2.52 0.13 0.00 -1.71 0.00 0.00 66.02 61.93 3itv s SER 173 CO 0.00 -1.47 1.06 0.29 1.20 0.00 0.00 173.24 174.32 3itv n LYS 174 N -2.75 0.40 -3.52 5.44 4.76 -1.26 -4.47 118.16 116.76 3itv n LYS 174 Ca 0.08 -1.60 -0.11 0.00 -2.87 0.00 0.00 58.31 53.81 3itv n LYS 174 Cb 0.53 -0.76 -0.04 0.00 -1.84 0.00 0.00 35.03 32.93 3itv n LYS 174 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 3itv s ALA 175 N -0.88 -1.81 -0.11 7.82 0.00 -1.26 -1.98 121.76 123.54 3itv s ALA 175 Ca 0.13 1.16 0.02 0.00 0.00 0.00 0.00 51.96 53.26 3itv s ALA 175 Cb 0.13 0.09 0.02 0.00 0.00 0.00 0.00 23.12 23.36 3itv s ALA 175 CO -0.01 -0.54 -0.14 -1.17 0.00 0.00 0.00 175.76 173.90 3itv s LEU 176 N -1.91 1.68 -0.21 0.00 2.96 -0.66 -0.75 118.68 119.80 3itv s LEU 176 Ca -0.00 -0.42 -0.09 0.00 -0.22 0.00 0.00 54.13 53.40 3itv s LEU 176 Cb -0.01 -1.06 -0.05 0.00 0.50 0.00 0.00 46.19 45.58 3itv s LEU 176 CO -0.03 0.00 0.11 -0.89 -1.32 0.00 0.00 176.35 174.22 3itv s THR 177 N 1.04 5.09 -0.29 3.68 2.01 0.56 -0.45 115.64 127.28 3itv s THR 177 Ca -0.06 0.08 -0.00 0.00 0.31 0.00 0.00 61.69 62.02 3itv s THR 177 Cb -0.15 -3.33 0.05 0.00 0.01 0.00 0.00 72.50 69.09 3itv s THR 177 CO -0.02 0.42 -0.03 -0.69 -0.69 0.00 0.00 174.62 173.60 3itv s VAL 178 N 0.61 2.74 -0.12 3.82 1.01 0.16 -3.02 120.40 125.60 3itv s VAL 178 Ca 0.06 -1.45 0.02 0.00 0.00 0.00 0.00 61.98 60.60 3itv s VAL 178 Cb -0.12 -2.58 0.01 0.00 0.00 0.00 0.00 36.38 33.69 3itv s VAL 178 CO 0.01 -0.08 -0.16 0.86 0.00 0.00 0.00 175.10 175.73 3itv s TRP 179 N 1.21 2.07 0.22 5.22 -0.00 -1.26 -2.01 118.94 124.39 3itv s TRP 179 Ca -0.06 -1.00 0.08 0.00 -0.00 0.00 0.00 56.10 55.12 3itv s TRP 179 Cb -0.20 -1.48 -0.05 0.00 -0.00 0.00 0.00 33.47 31.74 3itv s TRP 179 CO -0.02 -0.51 -0.13 0.96 -0.00 0.00 0.00 176.95 177.24 3itv s ILE 180 N 1.01 1.79 -1.91 5.86 -0.00 -1.26 -4.70 121.20 121.99 3itv s ILE 180 Ca -0.06 -2.22 0.26 0.00 -0.00 0.00 0.00 60.65 58.64 3itv s ILE 180 Cb -0.15 -2.14 0.26 0.00 -0.00 0.00 0.00 42.46 40.43 3itv s ILE 180 CO -0.02 -0.53 1.51 0.61 -0.00 0.00 0.00 174.94 176.51 3itv n GLY 181 N -0.44 -0.41 3.17 6.27 0.00 -1.26 -4.95 105.19 107.56 3itv n GLY 181 Ca -0.07 -0.45 -0.55 0.00 0.00 0.00 0.00 46.02 44.95 3itv n GLY 181 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3itv n ASP 182 N -0.42 0.41 0.00 1.61 9.92 -1.26 -4.10 116.55 122.71 3itv n ASP 182 Ca 0.13 1.03 0.00 0.00 -0.53 0.00 0.00 54.79 55.42 3itv n ASP 182 Cb 0.37 -0.80 0.00 0.00 -0.64 0.00 0.00 41.12 40.05 3itv n ASP 182 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 3itv n GLY 183 N 2.18 -0.61 3.11 0.44 0.00 -1.26 -1.57 105.19 107.47 3itv n GLY 183 Ca 0.21 -0.63 -0.08 0.00 0.00 0.00 0.00 46.02 45.52 3itv n GLY 183 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3itv s SER 184 N -4.00 0.29 0.00 1.61 1.04 0.72 -4.90 113.70 108.47 3itv s SER 184 Ca 0.00 -0.72 0.15 0.00 0.48 0.00 0.00 55.95 55.86 3itv s SER 184 Cb 0.00 0.22 -0.06 0.00 0.10 0.00 0.00 66.02 66.28 3itv s SER 184 CO 0.00 -0.55 0.73 0.59 0.98 0.00 0.00 173.24 174.98 3itv n ASN 185 N 0.49 1.20 -3.87 7.02 4.13 -1.26 -1.27 115.26 121.69 3itv n ASN 185 Ca -0.17 -1.10 -0.12 0.00 1.68 0.00 0.00 54.58 54.87 3itv n ASN 185 Cb 0.60 0.68 -0.14 0.00 -1.54 0.00 0.00 39.78 39.38 3itv n ASN 185 CO 0.00 0.00 0.00 -0.36 0.28 0.00 0.00 177.26 177.18 3itv s PHE 186 N -2.01 0.00 0.32 3.10 0.08 -1.26 -4.37 117.98 113.85 3itv s PHE 186 Ca 0.10 0.01 -0.29 0.00 0.12 0.00 0.00 56.93 56.86 3itv s PHE 186 Cb 0.11 -0.01 -0.12 0.00 -0.57 0.00 0.00 43.02 42.44 3itv s PHE 186 CO 0.46 -0.02 1.48 -2.30 -0.10 0.00 0.00 175.22 174.74 3itv n PRO 187 N 2.96 2.51 0.00 0.24 -0.02 -1.26 -1.59 135.00 137.84 3itv n PRO 187 Ca -0.13 0.89 0.00 0.00 -2.02 0.00 0.00 63.50 62.24 3itv n PRO 187 Cb 0.60 -2.60 0.00 0.00 -0.02 0.00 0.00 33.50 31.47 3itv n PRO 187 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3itv n GLY 188 N 1.37 2.90 0.31 -1.23 0.00 -1.26 -4.87 105.19 102.41 3itv n GLY 188 Ca 0.06 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.14 3itv n GLY 188 CO 0.00 0.00 0.00 -1.61 0.00 0.00 0.00 173.32 171.71 3itv h GLN 189 N 0.56 0.66 -6.46 1.61 4.15 -1.73 -3.42 115.11 110.49 3itv h GLN 189 Ca 0.00 -0.04 -0.62 0.00 0.77 0.00 0.00 58.65 58.76 3itv h GLN 189 Cb 0.00 -0.15 -0.19 0.00 0.21 0.00 0.00 27.48 27.35 3itv h GLN 189 CO 0.00 0.44 -0.82 -1.12 -1.93 0.00 0.00 178.83 175.39 3itv s SER 190 N -5.48 3.15 -0.40 -0.69 0.01 -1.26 -5.09 113.70 103.94 3itv s SER 190 Ca -0.12 -0.83 -0.15 0.00 1.31 0.00 0.00 55.95 56.16 3itv s SER 190 Cb 0.21 -0.21 0.01 0.00 0.21 0.00 0.00 66.02 66.24 3itv s SER 190 CO 0.78 0.09 0.32 0.21 0.41 0.00 0.00 173.24 175.05 3itv s ASN 191 N -2.49 6.12 0.20 2.44 3.84 -1.26 -4.97 114.94 118.81 3itv s ASN 191 Ca 0.17 -0.77 -0.16 0.00 0.21 0.00 0.00 52.86 52.31 3itv s ASN 191 Cb -0.08 -2.17 0.19 0.00 -0.55 0.00 0.00 41.25 38.64 3itv s ASN 191 CO 0.08 -0.44 1.62 -0.26 -2.79 0.00 0.00 177.10 175.30 3itv h PHE 192 N 8.63 -0.50 -0.16 0.43 0.04 -1.98 -0.85 116.94 122.54 3itv h PHE 192 Ca -0.28 0.06 -0.03 0.00 2.80 0.00 0.00 57.97 60.52 3itv h PHE 192 Cb 1.12 0.31 -0.01 0.00 2.20 0.00 0.00 35.95 39.58 3itv h PHE 192 CO 0.58 -0.30 -0.01 1.15 -0.60 0.00 0.00 178.31 179.13 3itv h THR 193 N -0.06 1.27 -0.75 -1.55 2.02 -1.99 -2.16 112.91 109.68 3itv h THR 193 Ca 0.27 -0.90 -0.03 0.00 0.77 0.00 0.00 66.41 66.53 3itv h THR 193 Cb 0.49 1.54 -0.03 0.00 -1.74 0.00 0.00 68.15 68.40 3itv h THR 193 CO -0.64 0.27 0.36 0.03 0.37 0.00 0.00 175.52 175.91 3itv h ARG 194 N 0.02 1.07 -0.69 6.66 3.08 -1.92 0.12 114.38 122.72 3itv h ARG 194 Ca 0.04 -0.15 -0.05 0.00 0.07 0.00 0.00 59.98 59.89 3itv h ARG 194 Cb 0.41 -0.20 -0.03 0.00 0.08 0.00 0.00 29.97 30.23 3itv h ARG 194 CO 0.01 0.83 0.25 0.00 -1.07 0.00 0.00 179.97 179.99 3itv h ALA 195 N 1.32 0.90 -0.41 0.04 0.00 -1.11 -1.18 119.26 118.82 3itv h ALA 195 Ca 0.26 -0.20 -0.12 0.00 0.00 0.00 0.00 54.91 54.85 3itv h ALA 195 Cb 0.11 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.62 3itv h ALA 195 CO -0.03 0.55 -0.21 0.35 0.00 0.00 0.00 179.25 179.91 3itv h PHE 196 N 1.00 0.92 -0.65 0.00 3.57 -0.83 -1.02 116.94 119.92 3itv h PHE 196 Ca 0.23 -0.21 -0.03 0.00 3.53 0.00 0.00 57.97 61.49 3itv h PHE 196 Cb 0.26 -0.22 -0.03 0.00 2.79 0.00 0.00 35.95 38.75 3itv h PHE 196 CO 0.02 0.94 0.30 0.93 -2.23 0.00 0.00 178.31 178.27 3itv h GLU 197 N 0.71 0.95 -0.59 1.11 5.08 -0.63 0.19 114.58 121.40 3itv h GLU 197 Ca 0.10 -0.15 -0.03 0.00 -1.00 0.00 0.00 59.36 58.28 3itv h GLU 197 Cb 0.73 -0.17 -0.03 0.00 0.50 0.00 0.00 28.75 29.78 3itv h GLU 197 CO 0.06 0.77 0.24 0.00 -1.00 0.00 0.00 179.01 179.07 3itv h ARG 198 N 0.91 0.88 -0.29 2.33 3.08 -0.94 -1.71 114.38 118.64 3itv h ARG 198 Ca 0.22 -0.16 -0.00 0.00 0.07 0.00 0.00 59.98 60.11 3itv h ARG 198 Cb 0.14 -0.14 -0.01 0.00 0.08 0.00 0.00 29.97 30.04 3itv h ARG 198 CO -0.03 0.75 0.17 -0.92 -1.07 0.00 0.00 179.97 178.88 3itv h TYR 199 N 0.82 0.38 -0.89 3.04 5.03 -0.73 -1.76 116.97 122.85 3itv h TYR 199 Ca 0.20 0.00 -0.01 0.00 2.58 0.00 0.00 58.73 61.50 3itv h TYR 199 Cb 0.20 -0.12 -0.04 0.00 1.55 0.00 0.00 36.73 38.31 3itv h TYR 199 CO 0.01 0.28 0.51 -0.07 -1.32 0.00 0.00 178.16 177.57 3itv h LEU 200 N 0.37 1.09 -0.47 2.82 3.38 -0.74 -0.16 115.31 121.60 3itv h LEU 200 Ca 0.10 -0.08 -0.09 0.00 0.09 0.00 0.00 57.88 57.90 3itv h LEU 200 Cb 0.01 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.47 3itv h LEU 200 CO -0.02 0.85 -0.07 -1.28 0.09 0.00 0.00 178.44 178.01 3itv h SER 201 N 1.24 0.87 -0.41 -0.43 0.87 -1.12 -1.67 113.55 112.90 3itv h SER 201 Ca 0.32 -0.34 -0.06 0.00 -1.23 0.00 0.00 61.79 60.47 3itv h SER 201 Cb -0.01 -0.24 -0.02 0.00 -0.44 0.00 0.00 62.40 61.69 3itv h SER 201 CO -0.06 1.01 0.01 0.00 -0.53 0.00 0.00 176.83 177.27 3itv h ALA 202 N 0.89 0.55 0.00 6.23 0.00 -0.97 -2.70 119.26 123.26 3itv h ALA 202 Ca 0.12 -0.25 -0.05 0.00 0.00 0.00 0.00 54.91 54.73 3itv h ALA 202 Cb 0.61 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.24 3itv h ALA 202 CO 0.04 0.32 -0.26 0.52 0.00 0.00 0.00 179.25 179.87 3itv h MET 203 N 0.55 0.00 -0.28 0.00 2.07 -0.96 -1.83 114.93 114.48 3itv h MET 203 Ca 0.12 0.00 -0.08 0.00 -2.07 0.00 0.00 59.70 57.67 3itv h MET 203 Cb 0.46 0.00 -0.02 0.00 -1.87 0.00 0.00 31.60 30.17 3itv h MET 203 CO 0.02 0.26 -0.15 0.00 1.07 0.00 0.00 176.91 178.11 3itv h ALA 204 N 1.74 1.23 -0.43 6.32 0.00 -0.99 0.96 119.26 128.09 3itv h ALA 204 Ca -0.00 -0.28 -0.14 0.00 0.00 0.00 0.00 54.91 54.49 3itv h ALA 204 Cb 0.48 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.12 3itv h ALA 204 CO 0.03 0.50 -0.28 0.93 0.00 0.00 0.00 179.25 180.44 3itv h GLU 205 N 0.45 0.93 -0.47 0.00 5.08 -1.12 -2.15 114.58 117.30 3itv h GLU 205 Ca 0.08 -0.43 -0.08 0.00 -1.00 0.00 0.00 59.36 57.94 3itv h GLU 205 Cb 0.52 -0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.74 3itv h GLU 205 CO 0.03 1.08 -0.00 0.82 -1.00 0.00 0.00 179.01 179.94 3itv h ILE 206 N 0.79 1.26 -0.93 3.13 1.08 -1.03 -2.87 117.51 118.94 3itv h ILE 206 Ca 0.09 -1.07 0.10 0.00 -0.39 0.00 0.00 64.86 63.59 3itv h ILE 206 Cb 0.85 1.02 -0.08 0.00 -3.07 0.00 0.00 36.82 35.54 3itv h ILE 206 CO 0.07 0.37 0.57 0.22 -0.69 0.00 0.00 178.15 178.70 3itv h TYR 207 N 0.69 1.04 0.00 1.37 5.03 -0.62 -0.31 116.97 124.17 3itv h TYR 207 Ca 0.13 0.03 -0.00 0.00 2.58 0.00 0.00 58.73 61.47 3itv h TYR 207 Cb 0.51 -0.33 -0.00 0.00 1.55 0.00 0.00 36.73 38.46 3itv h TYR 207 CO 0.04 0.44 -0.02 0.87 -1.32 0.00 0.00 178.16 178.17 3itv h LYS 208 N 0.94 0.00 -0.22 1.82 1.57 -1.16 -1.92 116.57 117.60 3itv h LYS 208 Ca 0.45 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.23 3itv h LYS 208 Cb 0.38 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.69 3itv h LYS 208 CO -0.24 0.02 0.00 0.41 -0.57 0.00 0.00 179.45 179.07 3itv n GLY 209 N -1.15 0.46 3.71 3.86 0.00 -0.13 -4.91 105.19 107.03 3itv n GLY 209 Ca -0.03 -0.43 -0.41 0.00 0.00 0.00 0.00 46.02 45.15 3itv n GLY 209 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3itv s LEU 210 N -1.44 4.37 1.06 0.99 1.43 -0.72 -5.02 118.68 119.34 3itv s LEU 210 Ca 0.31 1.58 -0.12 0.00 -1.03 0.00 0.00 54.13 54.87 3itv s LEU 210 Cb 0.17 -3.48 0.22 0.00 0.03 0.00 0.00 46.19 43.14 3itv s LEU 210 CO 0.24 -0.22 1.07 -2.84 0.23 0.00 0.00 176.35 174.83 3itv s PRO 211 N 0.90 -0.09 0.32 1.29 0.02 -1.26 -4.89 135.00 131.29 3itv s PRO 211 Ca 0.49 0.93 0.03 0.00 0.02 0.00 0.00 61.00 62.48 3itv s PRO 211 Cb -0.21 -1.64 0.63 0.00 0.02 0.00 0.00 34.50 33.30 3itv s PRO 211 CO 0.26 -3.19 1.89 -0.44 -0.33 0.00 0.00 177.00 175.19 3itv h ASP 212 N -2.25 0.82 -0.74 2.53 3.32 -2.00 -2.59 116.42 115.51 3itv h ASP 212 Ca -0.56 0.02 -0.21 0.00 0.02 0.00 0.00 57.03 56.31 3itv h ASP 212 Cb 1.31 -0.15 -0.12 0.00 0.22 0.00 0.00 39.33 40.59 3itv h ASP 212 CO 0.50 0.49 0.26 -0.90 -1.72 0.00 0.00 179.24 177.87 3itv n ASP 213 N -4.53 4.91 -4.77 6.45 5.75 -1.26 -4.96 116.55 118.13 3itv n ASP 213 Ca 0.15 -3.19 -0.25 0.00 -0.01 0.00 0.00 54.79 51.49 3itv n ASP 213 Cb 0.30 -0.75 -0.06 0.00 -1.03 0.00 0.00 41.12 39.59 3itv n ASP 213 CO 0.00 0.00 0.00 0.26 -0.11 0.00 0.00 177.20 177.35 3itv s TRP 214 N -2.95 3.05 0.17 2.11 0.52 -0.98 -4.87 118.94 115.99 3itv s TRP 214 Ca 0.55 -0.08 0.10 0.00 0.02 0.00 0.00 56.10 56.69 3itv s TRP 214 Cb 0.44 -1.43 -0.04 0.00 -1.15 0.00 0.00 33.47 31.29 3itv s TRP 214 CO 0.14 0.53 -0.23 0.15 0.02 0.00 0.00 176.95 177.56 3itv s LYS 215 N -3.38 1.42 -0.20 4.98 -0.14 -0.84 -4.84 119.74 116.74 3itv s LYS 215 Ca 0.31 -1.45 0.01 0.00 -1.36 0.00 0.00 55.97 53.49 3itv s LYS 215 Cb -0.09 -1.70 0.03 0.00 -1.68 0.00 0.00 37.83 34.39 3itv s LYS 215 CO 0.23 0.37 -0.17 -1.17 -0.76 0.00 0.00 175.35 173.85 3itv s LEU 216 N -2.53 2.46 -0.20 3.17 2.96 0.28 -1.66 118.68 123.15 3itv s LEU 216 Ca 0.18 -0.85 -0.06 0.00 -0.22 0.00 0.00 54.13 53.17 3itv s LEU 216 Cb -0.08 -1.47 -0.03 0.00 0.50 0.00 0.00 46.19 45.11 3itv s LEU 216 CO 0.08 -0.06 0.04 -0.36 -1.32 0.00 0.00 176.35 174.73 3itv s PHE 217 N 1.26 3.12 -0.13 5.38 0.08 0.41 -1.23 117.98 126.86 3itv s PHE 217 Ca 0.01 -0.24 -0.05 0.00 0.12 0.00 0.00 56.93 56.77 3itv s PHE 217 Cb -0.15 -2.11 -0.04 0.00 -0.57 0.00 0.00 43.02 40.15 3itv s PHE 217 CO -0.10 -0.11 0.05 -1.54 -0.10 0.00 0.00 175.22 173.42 3itv s SER 218 N 0.87 5.59 -0.23 1.36 1.04 -0.97 0.37 113.70 121.73 3itv s SER 218 Ca 0.02 0.17 -0.04 0.00 0.48 0.00 0.00 55.95 56.59 3itv s SER 218 Cb -0.14 -1.79 -0.00 0.00 0.10 0.00 0.00 66.02 64.19 3itv s SER 218 CO 0.02 0.30 -0.03 -0.70 0.98 0.00 0.00 173.24 173.81 3itv s GLU 219 N -0.40 3.25 0.50 4.02 2.12 -0.85 -1.31 118.70 126.03 3itv s GLU 219 Ca 0.09 -0.71 -0.10 0.00 0.36 0.00 0.00 54.97 54.61 3itv s GLU 219 Cb -0.12 -3.04 -0.05 0.00 0.26 0.00 0.00 34.13 31.18 3itv s GLU 219 CO 0.02 -0.26 0.87 -3.38 -0.54 0.00 0.00 175.26 171.97 3itv s HIS 220 N 1.45 3.53 -0.27 5.30 -3.43 -1.25 -4.70 115.29 115.92 3itv s HIS 220 Ca 0.05 1.10 -0.14 0.00 -0.80 0.00 0.00 55.06 55.27 3itv s HIS 220 Cb -0.15 -2.52 0.09 0.00 -1.43 0.00 0.00 32.58 28.56 3itv s HIS 220 CO -0.03 -0.34 0.64 0.21 -2.00 0.00 0.00 174.74 173.22 3itv s LYS 221 N -4.47 0.64 0.18 -0.38 2.20 -0.19 -4.75 119.74 112.96 3itv s LYS 221 Ca 0.52 1.21 -0.13 0.00 -0.36 0.00 0.00 55.97 57.21 3itv s LYS 221 Cb -0.10 0.25 0.07 0.00 -1.51 0.00 0.00 37.83 36.54 3itv s LYS 221 CO 0.41 -0.16 1.82 1.98 -0.36 0.00 0.00 175.35 179.04 3itv h MET 222 N 7.21 0.75 -2.76 4.03 1.85 -1.14 -3.35 114.93 121.53 3itv h MET 222 Ca -0.28 -0.06 0.10 0.00 -0.61 0.00 0.00 59.70 58.85 3itv h MET 222 Cb 1.20 -0.16 -0.07 0.00 0.43 0.00 0.00 31.60 33.00 3itv h MET 222 CO 0.16 0.53 0.32 1.52 -0.40 0.00 0.00 176.91 179.04 3itv s TYR 223 N -6.05 -0.20 0.01 1.39 1.13 -1.26 -4.50 117.35 107.87 3itv s TYR 223 Ca -0.13 -0.18 0.00 0.00 -1.41 0.00 0.00 57.07 55.35 3itv s TYR 223 Cb 0.13 0.67 0.00 0.00 -1.10 0.00 0.00 41.96 41.66 3itv s TYR 223 CO 0.75 -1.06 0.00 -1.91 -2.51 0.00 0.00 175.55 170.83 3itv n GLU 224 N -0.45 -0.50 0.18 -3.49 2.13 -1.26 -4.82 120.64 112.42 3itv n GLU 224 Ca -0.06 0.81 0.14 0.00 0.66 0.00 0.00 57.16 58.71 3itv n GLU 224 Cb 0.60 -0.57 0.57 0.00 0.27 0.00 0.00 31.44 32.31 3itv n GLU 224 CO 0.00 0.00 0.00 -1.00 -0.41 0.00 0.00 177.13 175.72 3itv h PRO 225 N 0.40 0.00 -6.15 5.31 0.13 -1.94 -3.48 132.00 126.26 3itv h PRO 225 Ca 0.00 0.00 -0.56 0.00 -0.87 0.00 0.00 66.00 64.57 3itv h PRO 225 Cb 0.00 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 31.09 3itv h PRO 225 CO 0.00 0.00 0.25 0.00 -0.23 0.00 0.00 178.00 178.02 3itv s ALA 226 N -3.45 3.31 -1.42 -0.56 0.00 -1.26 -4.97 121.76 113.41 3itv s ALA 226 Ca 0.03 0.26 0.16 0.00 0.00 0.00 0.00 51.96 52.41 3itv s ALA 226 Cb 0.09 -3.15 0.44 0.00 0.00 0.00 0.00 23.12 20.50 3itv s ALA 226 CO 0.42 -0.25 1.36 1.19 0.00 0.00 0.00 175.76 178.48 3itv n PHE 227 N 4.10 0.65 0.04 0.00 3.72 -1.21 -4.57 117.46 120.21 3itv n PHE 227 Ca 0.02 -0.47 0.00 0.00 -0.05 0.00 0.00 57.45 56.95 3itv n PHE 227 Cb 0.51 -0.01 0.00 0.00 -0.94 0.00 0.00 39.48 39.03 3itv n PHE 227 CO 0.00 0.00 0.00 0.98 -0.05 0.00 0.00 176.76 177.69 3itv n TYR 228 N 1.01 -0.43 -4.02 1.38 9.36 -0.40 -4.93 117.16 119.13 3itv n TYR 228 Ca 0.17 0.08 -0.09 0.00 3.32 0.00 0.00 57.90 61.37 3itv n TYR 228 Cb 0.51 0.16 -0.11 0.00 -0.63 0.00 0.00 39.34 39.27 3itv n TYR 228 CO 0.00 0.00 0.00 -1.54 0.22 0.00 0.00 176.86 175.54 3itv s SER 229 N -5.41 0.40 -0.03 2.98 1.04 -0.51 -4.98 113.70 107.20 3itv s SER 229 Ca 0.00 -0.63 0.02 0.00 0.48 0.00 0.00 55.95 55.82 3itv s SER 229 Cb 0.00 0.11 0.00 0.00 0.10 0.00 0.00 66.02 66.24 3itv s SER 229 CO 0.00 -0.36 -0.09 -0.89 0.98 0.00 0.00 173.24 172.89 3itv s THR 230 N -2.05 0.76 0.09 2.02 2.01 -1.26 -0.20 115.64 117.00 3itv s THR 230 Ca -0.09 -0.34 -0.29 0.00 0.31 0.00 0.00 61.69 61.27 3itv s THR 230 Cb -0.06 -0.68 -0.15 0.00 0.01 0.00 0.00 72.50 71.63 3itv s THR 230 CO -0.03 0.24 1.65 0.58 -0.69 0.00 0.00 174.62 176.37 3itv h VAL 231 N 5.45 0.46 -3.37 3.82 2.07 -1.63 -3.10 116.25 119.95 3itv h VAL 231 Ca -0.33 0.00 -0.80 0.00 0.82 0.00 0.00 66.70 66.38 3itv h VAL 231 Cb 1.17 0.46 -0.28 0.00 -1.52 0.00 0.00 31.29 31.12 3itv h VAL 231 CO 0.49 0.00 0.55 0.52 0.02 0.00 0.00 177.57 179.15 3itv n VAL 232 N -5.39 4.80 0.03 2.57 0.31 -1.26 -4.83 118.33 114.56 3itv n VAL 232 Ca -0.10 -5.55 -0.08 0.00 -0.01 0.00 0.00 64.34 58.59 3itv n VAL 232 Cb 0.29 -2.44 -0.13 0.00 -0.91 0.00 0.00 33.84 30.65 3itv n VAL 232 CO 0.00 0.00 0.00 0.06 -1.32 0.00 0.00 176.83 175.57 3itv h GLN 233 N 6.28 0.02 0.00 5.55 -0.00 -1.67 -0.49 115.11 124.80 3itv h GLN 233 Ca 0.19 -0.04 -0.24 0.00 -0.00 0.00 0.00 58.65 58.56 3itv h GLN 233 Cb 0.79 0.01 -0.06 0.00 -0.00 0.00 0.00 27.48 28.23 3itv h GLN 233 CO 1.11 0.80 -0.11 -0.40 -0.00 0.00 0.00 178.83 180.23 3itv n ASP 234 N -3.23 -1.24 0.27 0.06 5.68 -1.26 -2.18 116.55 114.66 3itv n ASP 234 Ca -0.08 -2.65 0.16 0.00 -0.50 0.00 0.00 54.79 51.71 3itv n ASP 234 Cb 1.00 2.29 0.73 0.00 -1.14 0.00 0.00 41.12 43.99 3itv n ASP 234 CO 0.00 0.00 0.00 4.11 -1.33 0.00 0.00 177.20 179.98 3itv h TRP 235 N 1.89 0.00 0.00 2.11 5.08 -1.95 -1.33 115.95 121.75 3itv h TRP 235 Ca -0.24 0.00 -0.00 0.00 1.08 0.00 0.00 58.89 59.73 3itv h TRP 235 Cb 1.05 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 27.21 3itv h TRP 235 CO 0.00 0.07 -0.00 0.78 -1.28 0.00 0.00 178.44 178.01 3itv h GLY 236 N 1.53 -0.00 1.22 11.11 0.00 -1.99 0.15 103.07 115.08 3itv h GLY 236 Ca -0.00 0.00 -0.08 0.00 0.00 0.00 0.00 47.33 47.25 3itv h GLY 236 CO 0.01 -0.00 0.01 -0.84 0.00 0.00 0.00 176.54 175.72 3itv h THR 237 N -0.35 1.26 -0.78 4.70 2.02 -1.90 -2.23 112.91 115.63 3itv h THR 237 Ca -0.00 -1.08 0.01 0.00 0.77 0.00 0.00 66.41 66.11 3itv h THR 237 Cb 0.35 0.82 -0.04 0.00 -1.74 0.00 0.00 68.15 67.53 3itv h THR 237 CO 0.00 0.39 0.51 -1.13 0.37 0.00 0.00 175.52 175.66 3itv h ASN 238 N 0.88 0.90 -0.58 4.18 -0.73 -1.07 -0.90 115.58 118.26 3itv h ASN 238 Ca 0.16 -0.03 -0.03 0.00 1.87 0.00 0.00 56.30 58.27 3itv h ASN 238 Cb 0.50 -0.23 -0.03 0.00 0.27 0.00 0.00 38.32 38.84 3itv h ASN 238 CO 0.02 0.66 0.24 0.22 -0.37 0.00 0.00 177.43 178.21 3itv h TYR 239 N 1.06 0.88 -0.75 0.67 3.20 -0.38 -1.38 116.97 120.28 3itv h TYR 239 Ca 0.29 -0.06 0.02 0.00 3.14 0.00 0.00 58.73 62.11 3itv h TYR 239 Cb -0.11 -0.27 -0.04 0.00 1.54 0.00 0.00 36.73 37.85 3itv h TYR 239 CO -0.02 0.70 0.50 -0.07 -1.64 0.00 0.00 178.16 177.63 3itv h LEU 240 N 0.80 0.83 0.37 2.82 3.38 -0.79 -0.08 115.31 122.65 3itv h LEU 240 Ca 0.20 -0.02 -0.02 0.00 0.09 0.00 0.00 57.88 58.13 3itv h LEU 240 Cb 0.19 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 40.74 3itv h LEU 240 CO -0.02 0.59 -0.18 0.40 0.09 0.00 0.00 178.44 179.32 3itv h ILE 241 N 0.97 0.63 -0.40 1.22 1.08 -0.61 -1.40 117.51 119.01 3itv h ILE 241 Ca 0.29 -0.35 0.02 0.00 -0.39 0.00 0.00 64.86 64.42 3itv h ILE 241 Cb -0.04 0.81 -0.03 0.00 -3.07 0.00 0.00 36.82 34.49 3itv h ILE 241 CO -0.07 0.07 0.22 0.00 -0.69 0.00 0.00 178.15 177.67 3itv h ALA 242 N -0.16 0.49 -0.59 1.87 0.00 -0.95 -0.13 119.26 119.80 3itv h ALA 242 Ca -0.05 0.00 -0.06 0.00 0.00 0.00 0.00 54.91 54.80 3itv h ALA 242 Cb 0.49 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 18.17 3itv h ALA 242 CO 0.08 -0.13 0.13 0.37 0.00 0.00 0.00 179.25 179.71 3itv h GLN 243 N 0.44 0.93 -0.24 0.00 5.75 -1.04 -2.63 115.11 118.32 3itv h GLN 243 Ca 0.16 -0.21 -0.09 0.00 -0.15 0.00 0.00 58.65 58.37 3itv h GLN 243 Cb 0.03 -0.13 -0.00 0.00 1.07 0.00 0.00 27.48 28.45 3itv h GLN 243 CO -0.09 0.84 -0.19 1.15 -2.65 0.00 0.00 178.83 177.89 3itv h THR 244 N 0.89 1.31 -0.35 2.39 2.02 -0.78 -3.33 112.91 115.06 3itv h THR 244 Ca 0.19 -1.33 -0.10 0.00 0.77 0.00 0.00 66.41 65.94 3itv h THR 244 Cb 0.34 1.65 -0.01 0.00 -1.74 0.00 0.00 68.15 68.39 3itv h THR 244 CO 0.00 0.41 -0.15 -0.07 0.37 0.00 0.00 175.52 176.08 3itv h LEU 245 N 0.26 0.74 0.00 2.58 3.38 -0.96 -3.50 115.31 117.81 3itv h LEU 245 Ca 0.04 -0.40 0.00 0.00 0.09 0.00 0.00 57.88 57.61 3itv h LEU 245 Cb 0.73 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 41.28 3itv h LEU 245 CO 0.05 0.98 0.00 0.61 0.09 0.00 0.00 178.44 180.17 3itv n GLY 246 N -0.07 1.34 0.31 0.83 0.00 -1.00 -4.91 105.19 101.69 3itv n GLY 246 Ca -0.02 -1.92 0.17 0.00 0.00 0.00 0.00 46.02 44.25 3itv n GLY 246 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3itv h PRO 247 N 0.00 0.00 0.00 1.61 0.13 -1.91 -1.72 132.00 130.11 3itv h PRO 247 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 3itv h PRO 247 Cb 0.00 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.13 3itv h PRO 247 CO 0.00 0.00 -0.08 1.63 -0.23 0.00 0.00 178.00 179.32 3itv n LYS 248 N -3.64 0.11 -3.60 0.86 5.02 -1.26 -4.78 118.16 110.87 3itv n LYS 248 Ca -0.02 0.08 -0.37 0.00 -2.02 0.00 0.00 58.31 55.98 3itv n LYS 248 Cb 0.11 -1.61 -0.09 0.00 -0.02 0.00 0.00 35.03 33.42 3itv n LYS 248 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3itv s ALA 249 N -3.04 3.61 0.25 7.82 0.00 -0.65 -0.56 121.76 129.19 3itv s ALA 249 Ca 0.12 -0.73 0.01 0.00 0.00 0.00 0.00 51.96 51.36 3itv s ALA 249 Cb 0.16 -2.37 -0.05 0.00 0.00 0.00 0.00 23.12 20.86 3itv s ALA 249 CO 0.58 -0.13 0.11 -0.65 0.00 0.00 0.00 175.76 175.67 3itv s GLN 250 N 0.94 1.39 -0.10 0.00 -0.21 -0.37 -4.71 119.66 116.59 3itv s GLN 250 Ca 0.11 -1.75 -0.09 0.00 0.02 0.00 0.00 55.36 53.65 3itv s GLN 250 Cb -0.13 -0.13 -0.04 0.00 1.00 0.00 0.00 33.01 33.70 3itv s GLN 250 CO 0.04 -0.33 0.19 0.00 -2.12 0.00 0.00 175.29 173.07 3itv s LEU 252 N -0.95 3.25 -0.33 0.00 0.20 -0.43 0.11 118.68 120.54 3itv s LEU 252 Ca 0.16 -0.14 -0.09 0.00 0.69 0.00 0.00 54.13 54.75 3itv s LEU 252 Cb -0.13 -1.79 0.01 0.00 -0.43 0.00 0.00 46.19 43.85 3itv s LEU 252 CO 0.06 0.15 0.15 -0.69 -0.29 0.00 0.00 176.35 175.73 3itv s VAL 253 N 0.49 4.43 -0.31 1.68 1.01 -0.52 -3.95 120.40 123.23 3itv s VAL 253 Ca -0.03 -0.64 -0.12 0.00 0.00 0.00 0.00 61.98 61.19 3itv s VAL 253 Cb -0.14 -3.34 -0.03 0.00 0.00 0.00 0.00 36.38 32.87 3itv s VAL 253 CO 0.03 -0.04 0.21 -0.62 0.00 0.00 0.00 175.10 174.68 3itv s ASP 254 N 1.56 5.98 0.30 3.32 -1.08 -1.26 -1.60 116.67 123.90 3itv s ASP 254 Ca 0.03 -0.26 0.06 0.00 -0.52 0.00 0.00 52.55 51.87 3itv s ASP 254 Cb -0.18 -2.11 0.82 0.00 -1.46 0.00 0.00 42.92 39.98 3itv s ASP 254 CO 0.05 -0.15 1.69 -0.07 0.52 0.00 0.00 175.17 177.22 3itv h LEU 255 N 8.42 0.40 -1.17 -1.34 3.38 -1.77 -1.72 115.31 121.52 3itv h LEU 255 Ca -0.33 0.16 0.00 0.00 0.09 0.00 0.00 57.88 57.80 3itv h LEU 255 Cb 1.17 0.13 0.00 0.00 0.09 0.00 0.00 40.66 42.05 3itv h LEU 255 CO 0.60 -0.02 0.00 0.61 0.09 0.00 0.00 178.44 179.72 3itv n GLY 256 N -1.33 0.76 1.83 0.83 0.00 -1.26 -4.15 105.19 101.87 3itv n GLY 256 Ca 0.25 -0.25 -0.01 0.00 0.00 0.00 0.00 46.02 46.00 3itv n GLY 256 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 3itv n HIS 257 N 0.16 2.16 -4.37 1.61 8.25 -0.65 -3.49 115.22 118.89 3itv n HIS 257 Ca 0.08 -1.07 -0.24 0.00 -0.26 0.00 0.00 57.72 56.23 3itv n HIS 257 Cb 0.32 -0.60 -0.09 0.00 1.12 0.00 0.00 29.99 30.74 3itv n HIS 257 CO 0.00 0.00 0.00 -1.01 0.64 0.00 0.00 176.34 175.97 3itv s HIS 258 N -2.94 2.50 0.79 4.41 3.76 -1.26 -2.52 115.29 120.03 3itv s HIS 258 Ca 0.53 -0.27 -0.13 0.00 -0.15 0.00 0.00 55.06 55.04 3itv s HIS 258 Cb 0.42 -1.11 0.07 0.00 1.11 0.00 0.00 32.58 33.08 3itv s HIS 258 CO 0.13 0.65 1.18 0.00 -0.85 0.00 0.00 174.74 175.85 3itv s ALA 259 N -2.34 1.95 0.28 -1.40 0.00 -1.26 -4.90 121.76 114.09 3itv s ALA 259 Ca 0.30 0.73 -0.30 0.00 0.00 0.00 0.00 51.96 52.69 3itv s ALA 259 Cb -0.06 -3.44 -0.13 0.00 0.00 0.00 0.00 23.12 19.49 3itv s ALA 259 CO 0.17 -2.11 1.30 -2.30 0.00 0.00 0.00 175.76 172.81 3itv n PRO 260 N -3.23 1.93 -0.87 0.00 -0.02 -1.26 -2.15 135.00 129.39 3itv n PRO 260 Ca 0.12 0.68 0.00 0.00 -2.02 0.00 0.00 63.50 62.29 3itv n PRO 260 Cb 0.51 -2.26 0.00 0.00 -0.02 0.00 0.00 33.50 31.73 3itv n PRO 260 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 3itv n ASN 261 N 1.51 -1.82 -4.72 2.55 3.02 -1.26 -4.99 115.26 109.56 3itv n ASN 261 Ca 0.09 0.00 -0.41 0.00 -0.03 0.00 0.00 54.58 54.23 3itv n ASN 261 Cb 0.33 -1.41 0.01 0.00 -0.61 0.00 0.00 39.78 38.10 3itv n ASN 261 CO 0.00 0.00 0.00 0.41 -2.62 0.00 0.00 177.26 175.05 3itv n THR 262 N -2.24 2.56 -2.93 3.41 -1.04 -0.91 -4.90 114.28 108.23 3itv n THR 262 Ca 0.00 -0.50 -0.44 0.00 -2.04 0.00 0.00 64.05 61.07 3itv n THR 262 Cb 0.09 -1.64 -0.03 0.00 -1.82 0.00 0.00 70.33 66.93 3itv n THR 262 CO 0.00 0.00 0.00 0.21 -0.64 0.00 0.00 175.07 174.64 3itv s ASN 263 N -0.49 6.41 0.14 8.00 3.84 -1.26 -4.86 114.94 126.72 3itv s ASN 263 Ca 0.60 -1.60 -0.11 0.00 0.21 0.00 0.00 52.86 51.96 3itv s ASN 263 Cb -0.50 -2.39 -0.03 0.00 -0.55 0.00 0.00 41.25 37.78 3itv s ASN 263 CO 0.58 -1.20 1.49 0.40 -2.79 0.00 0.00 177.10 175.59 3itv h ILE 264 N 5.88 1.27 0.00 -5.21 2.04 -1.98 -3.02 117.51 116.49 3itv h ILE 264 Ca -0.06 -1.50 -0.01 0.00 1.00 0.00 0.00 64.86 64.30 3itv h ILE 264 Cb 1.05 1.32 -0.00 0.00 -0.74 0.00 0.00 36.82 38.44 3itv h ILE 264 CO 1.13 0.50 -0.04 1.05 0.00 0.00 0.00 178.15 180.79 3itv h GLU 265 N 0.77 0.00 -0.22 2.37 9.09 -1.90 -0.82 114.58 123.87 3itv h GLU 265 Ca 0.07 0.00 -0.18 0.00 0.05 0.00 0.00 59.36 59.30 3itv h GLU 265 Cb 0.92 0.00 -0.00 0.00 -1.65 0.00 0.00 28.75 28.02 3itv h GLU 265 CO 0.09 0.04 -0.59 1.98 0.05 0.00 0.00 179.01 180.57 3itv h MET 266 N 0.00 0.72 -0.72 1.06 4.05 -1.93 -1.74 114.93 116.37 3itv h MET 266 Ca -0.00 -0.48 0.01 0.00 -0.28 0.00 0.00 59.70 58.95 3itv h MET 266 Cb 0.09 0.07 -0.04 0.00 -0.80 0.00 0.00 31.60 30.91 3itv h MET 266 CO 0.01 1.11 0.47 0.82 0.23 0.00 0.00 176.91 179.54 3itv h ILE 267 N 0.54 1.16 -0.30 1.77 1.08 -1.15 -0.00 117.51 120.61 3itv h ILE 267 Ca -0.00 -0.33 0.01 0.00 -0.39 0.00 0.00 64.86 64.15 3itv h ILE 267 Cb 1.18 0.13 -0.02 0.00 -3.07 0.00 0.00 36.82 35.04 3itv h ILE 267 CO 0.12 0.17 0.18 0.58 -0.69 0.00 0.00 178.15 178.51 3itv h VAL 268 N 0.95 1.04 -0.56 1.67 2.07 -1.17 -1.38 116.25 118.86 3itv h VAL 268 Ca 0.27 -0.13 0.02 0.00 0.82 0.00 0.00 66.70 67.68 3itv h VAL 268 Cb -0.08 0.64 -0.03 0.00 -1.52 0.00 0.00 31.29 30.30 3itv h VAL 268 CO -0.07 0.07 0.36 0.00 0.02 0.00 0.00 177.57 177.94 3itv h ALA 269 N 1.13 0.72 -0.32 1.67 0.00 -0.58 -1.71 119.26 120.18 3itv h ALA 269 Ca 0.12 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 55.00 3itv h ALA 269 Cb -0.01 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.57 3itv h ALA 269 CO -0.05 0.10 0.18 0.00 0.00 0.00 0.00 179.25 179.48 3itv h ARG 270 N 0.71 0.44 -0.65 0.00 2.47 -0.71 -1.37 114.38 115.28 3itv h ARG 270 Ca 0.22 -0.05 -0.04 0.00 -1.26 0.00 0.00 59.98 58.85 3itv h ARG 270 Cb -0.03 -0.09 -0.03 0.00 -1.65 0.00 0.00 29.97 28.17 3itv h ARG 270 CO -0.07 0.36 0.24 -0.07 0.56 0.00 0.00 179.97 180.99 3itv h LEU 271 N 0.39 0.89 -0.38 3.04 3.38 -1.04 -2.55 115.31 119.04 3itv h LEU 271 Ca 0.11 -0.13 -0.02 0.00 0.09 0.00 0.00 57.88 57.93 3itv h LEU 271 Cb 0.05 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 40.55 3itv h LEU 271 CO -0.02 0.80 0.15 0.40 0.09 0.00 0.00 178.44 179.87 3itv h ILE 272 N 0.94 1.19 -0.84 1.22 2.04 -1.03 0.15 117.51 121.19 3itv h ILE 272 Ca 0.22 -0.58 0.08 0.00 1.00 0.00 0.00 64.86 65.58 3itv h ILE 272 Cb 0.21 0.87 -0.06 0.00 -0.74 0.00 0.00 36.82 37.10 3itv h ILE 272 CO -0.02 0.21 0.54 -0.61 0.00 0.00 0.00 178.15 178.28 3itv h GLN 273 N 0.46 0.83 -0.61 2.37 4.15 -0.91 -1.54 115.11 119.86 3itv h GLN 273 Ca 0.13 -0.05 0.00 0.00 0.77 0.00 0.00 58.65 59.50 3itv h GLN 273 Cb 0.18 -0.19 0.00 0.00 0.21 0.00 0.00 27.48 27.68 3itv h GLN 273 CO -0.01 0.55 0.00 1.19 -1.93 0.00 0.00 178.83 178.63 3itv n PHE 274 N -4.50 1.91 -2.82 3.99 3.72 -0.99 -4.95 117.46 113.81 3itv n PHE 274 Ca 0.13 -0.69 -0.20 0.00 -0.05 0.00 0.00 57.45 56.64 3itv n PHE 274 Cb 0.27 -0.43 0.01 0.00 -0.94 0.00 0.00 39.48 38.39 3itv n PHE 274 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3itv n GLY 275 N 0.82 -0.51 0.16 1.37 0.00 -0.58 -4.90 105.19 101.55 3itv n GLY 275 Ca 0.27 0.07 0.09 0.00 0.00 0.00 0.00 46.02 46.45 3itv n GLY 275 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3itv n LYS 276 N -3.50 1.26 -2.85 1.61 4.76 0.46 -4.93 118.16 114.97 3itv n LYS 276 Ca -0.14 -2.60 -0.43 0.00 -2.87 0.00 0.00 58.31 52.27 3itv n LYS 276 Cb 0.62 -1.47 -0.03 0.00 -1.84 0.00 0.00 35.03 32.32 3itv n LYS 276 CO 0.00 0.00 0.00 -1.17 -1.37 0.00 0.00 177.40 174.86 3itv s LEU 277 N -2.79 4.67 0.15 -0.35 2.96 -1.21 -0.49 118.68 121.62 3itv s LEU 277 Ca 0.31 -1.74 -0.10 0.00 -0.22 0.00 0.00 54.13 52.39 3itv s LEU 277 Cb 0.28 -2.43 -0.03 0.00 0.50 0.00 0.00 46.19 44.51 3itv s LEU 277 CO 0.02 -1.21 1.47 1.23 -1.32 0.00 0.00 176.35 176.53 3itv h GLY 278 N 10.98 0.96 0.00 7.98 0.00 -0.61 -3.37 103.07 119.00 3itv h GLY 278 Ca 0.08 -1.02 0.00 0.00 0.00 0.00 0.00 47.33 46.38 3itv h GLY 278 CO 1.17 0.92 0.00 0.61 0.00 0.00 0.00 176.54 179.24 3itv n GLY 279 N 0.20 -1.36 3.29 4.60 0.00 -1.12 -0.87 105.19 109.92 3itv n GLY 279 Ca -0.03 -0.97 -0.19 0.00 0.00 0.00 0.00 46.02 44.84 3itv n GLY 279 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3itv s PHE 280 N -2.73 1.59 -0.31 1.61 0.08 0.52 -1.43 117.98 117.31 3itv s PHE 280 Ca 0.00 -0.54 0.01 0.00 0.12 0.00 0.00 56.93 56.51 3itv s PHE 280 Cb 0.00 -0.80 0.10 0.00 -0.57 0.00 0.00 43.02 41.75 3itv s PHE 280 CO 0.00 0.24 0.07 -1.01 -0.10 0.00 0.00 175.22 174.43 3itv s HIS 281 N -2.34 2.30 0.22 0.36 3.76 -0.62 -1.58 115.29 117.39 3itv s HIS 281 Ca 0.14 -2.07 -0.23 0.00 -0.15 0.00 0.00 55.06 52.76 3itv s HIS 281 Cb -0.04 -2.02 -0.08 0.00 1.11 0.00 0.00 32.58 31.54 3itv s HIS 281 CO 0.05 -0.88 0.78 -0.06 -0.85 0.00 0.00 174.74 173.78 3itv s PHE 282 N 1.41 3.76 0.00 1.40 0.08 0.10 -2.25 117.98 122.49 3itv s PHE 282 Ca 0.09 1.55 0.00 0.00 0.12 0.00 0.00 56.93 58.69 3itv s PHE 282 Cb -0.18 -2.73 0.00 0.00 -0.57 0.00 0.00 43.02 39.54 3itv s PHE 282 CO -0.19 0.39 0.00 0.27 -0.10 0.00 0.00 175.22 175.59 3itv n ASN 283 N 1.04 0.00 -4.43 1.36 0.23 -1.26 -1.39 115.26 110.81 3itv n ASN 283 Ca -0.03 0.00 -0.21 0.00 -0.53 0.00 0.00 54.58 53.81 3itv n ASN 283 Cb 0.50 0.00 -0.10 0.00 -2.08 0.00 0.00 39.78 38.09 3itv n ASN 283 CO 0.00 0.00 0.00 -0.62 -0.93 0.00 0.00 177.26 175.71 3itv s ASP 284 N 0.00 2.48 0.11 0.53 -1.08 0.54 -4.59 116.67 114.65 3itv s ASP 284 Ca 0.00 -1.28 -0.26 0.00 -0.52 0.00 0.00 52.55 50.49 3itv s ASP 284 Cb 0.00 -0.11 0.07 0.00 -1.46 0.00 0.00 42.92 41.42 3itv s ASP 284 CO 0.00 -0.49 0.83 -0.94 0.52 0.00 0.00 175.17 175.08 3itv s SER 285 N -3.45 -0.34 0.00 -0.34 1.04 -1.26 -1.12 113.70 108.23 3itv s SER 285 Ca 0.33 -0.19 0.00 0.00 0.48 0.00 0.00 55.95 56.57 3itv s SER 285 Cb 0.07 0.50 0.00 0.00 0.10 0.00 0.00 66.02 66.69 3itv s SER 285 CO 0.13 -0.86 0.00 1.17 0.98 0.00 0.00 173.24 174.66 3itv n LYS 286 N -0.36 1.68 0.00 4.02 4.81 -1.26 -4.75 118.16 122.30 3itv n LYS 286 Ca -0.09 0.00 -0.03 0.00 -0.87 0.00 0.00 58.31 57.31 3itv n LYS 286 Cb 0.62 -0.73 -0.01 0.00 0.02 0.00 0.00 35.03 34.92 3itv n LYS 286 CO 0.00 0.00 0.00 0.66 1.17 0.00 0.00 177.40 179.23 3itv n TYR 287 N -1.28 0.00 0.00 5.64 4.01 -1.26 -5.10 117.16 119.17 3itv n TYR 287 Ca 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.74 3itv n TYR 287 Cb 0.23 -0.16 0.00 0.00 -0.31 0.00 0.00 39.34 39.10 3itv n TYR 287 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3itv n GLY 288 N 2.87 5.33 2.79 2.72 0.00 -1.26 -4.92 105.19 112.71 3itv n GLY 288 Ca -0.06 -0.90 -0.42 0.00 0.00 0.00 0.00 46.02 44.64 3itv n GLY 288 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 3itv n ASP 289 N 0.00 5.17 0.28 1.61 2.03 -1.23 -4.73 116.55 119.69 3itv n ASP 289 Ca 0.00 -3.04 0.17 0.00 0.52 0.00 0.00 54.79 52.44 3itv n ASP 289 Cb 0.00 -1.51 0.77 0.00 -0.72 0.00 0.00 41.12 39.66 3itv n ASP 289 CO 0.00 0.00 0.00 0.44 -1.92 0.00 0.00 177.20 175.72 3itv h ASP 290 N 5.68 0.00 -5.49 1.67 3.32 -1.83 -3.47 116.42 116.30 3itv h ASP 290 Ca 0.47 0.00 -0.42 0.00 0.02 0.00 0.00 57.03 57.10 3itv h ASP 290 Cb 0.59 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.14 3itv h ASP 290 CO 1.68 0.04 -0.65 0.47 -1.72 0.00 0.00 179.24 179.06 3itv n ASP 291 N -3.18 -5.01 -4.91 6.45 8.00 -1.23 -4.82 116.55 111.85 3itv n ASP 291 Ca -0.00 -0.50 -0.28 0.00 0.71 0.00 0.00 54.79 54.72 3itv n ASP 291 Cb 0.27 -4.04 0.06 0.00 -0.02 0.00 0.00 41.12 37.39 3itv n ASP 291 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 3itv s LEU 292 N -6.88 2.80 0.10 0.64 1.43 -0.27 -1.66 118.68 114.83 3itv s LEU 292 Ca 0.48 0.76 -0.34 0.00 -1.03 0.00 0.00 54.13 53.99 3itv s LEU 292 Cb -0.23 -3.42 -0.14 0.00 0.03 0.00 0.00 46.19 42.43 3itv s LEU 292 CO 0.59 -1.56 1.59 0.47 0.23 0.00 0.00 176.35 177.67 3itv n ASP 293 N -3.02 2.92 -4.62 2.29 9.92 -1.26 -0.34 116.55 122.44 3itv n ASP 293 Ca 0.07 1.07 -0.48 0.00 -0.53 0.00 0.00 54.79 54.92 3itv n ASP 293 Cb 0.59 -1.38 -0.04 0.00 -0.64 0.00 0.00 41.12 39.66 3itv n ASP 293 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 3itv n ALA 294 N 3.82 -0.04 -0.67 2.24 0.00 -1.26 -1.61 120.51 122.99 3itv n ALA 294 Ca 0.18 0.46 0.00 0.00 0.00 0.00 0.00 53.44 54.08 3itv n ALA 294 Cb 0.27 -2.14 0.00 0.00 0.00 0.00 0.00 19.45 17.58 3itv n ALA 294 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3itv n GLY 295 N 2.33 0.94 0.25 0.00 0.00 -1.26 -4.75 105.19 102.71 3itv n GLY 295 Ca 0.15 0.00 0.15 0.00 0.00 0.00 0.00 46.02 46.32 3itv n GLY 295 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3itv h ALA 296 N 0.00 0.99 0.00 4.61 0.00 -1.67 -3.27 119.26 119.93 3itv h ALA 296 Ca 0.00 -0.04 -0.22 0.00 0.00 0.00 0.00 54.91 54.66 3itv h ALA 296 Cb 0.00 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 17.75 3itv h ALA 296 CO 0.00 0.05 -1.70 -0.89 0.00 0.00 0.00 179.25 176.71 3itv n ILE 297 N -3.13 0.75 -3.59 0.00 2.08 -1.26 -4.91 119.36 109.30 3itv n ILE 297 Ca 0.01 -0.17 -0.27 0.00 0.56 0.00 0.00 62.75 62.88 3itv n ILE 297 Cb 0.39 -1.69 -0.11 0.00 -0.75 0.00 0.00 39.64 37.48 3itv n ILE 297 CO 0.00 0.00 0.00 -0.62 0.56 0.00 0.00 176.55 176.49 3itv n GLU 298 N -3.61 0.91 0.13 0.38 1.02 -1.26 -4.97 120.64 113.24 3itv n GLU 298 Ca -0.25 -3.73 0.05 0.00 -0.02 0.00 0.00 57.16 53.20 3itv n GLU 298 Cb 0.67 -1.91 0.48 0.00 -0.02 0.00 0.00 31.44 30.65 3itv n GLU 298 CO 0.00 0.00 0.00 -1.00 1.18 0.00 0.00 177.13 177.31 3itv h PRO 299 N 5.44 0.25 -0.53 3.49 0.13 -1.91 -2.87 132.00 135.99 3itv h PRO 299 Ca 0.21 -0.03 -0.12 0.00 -0.87 0.00 0.00 66.00 65.20 3itv h PRO 299 Cb 0.84 -0.05 -0.02 0.00 0.13 0.00 0.00 31.00 31.91 3itv h PRO 299 CO 0.52 0.25 -0.13 -0.92 -0.23 0.00 0.00 178.00 177.50 3itv h TYR 300 N 0.25 1.15 -0.85 1.56 3.20 -1.93 -1.95 116.97 118.39 3itv h TYR 300 Ca 0.06 -0.25 0.04 0.00 3.14 0.00 0.00 58.73 61.72 3itv h TYR 300 Cb 0.13 -0.28 -0.05 0.00 1.54 0.00 0.00 36.73 38.07 3itv h TYR 300 CO 0.00 1.07 0.55 -0.09 -1.64 0.00 0.00 178.16 178.05 3itv h ARG 301 N 0.90 1.03 -0.76 1.82 2.43 -1.94 0.16 114.38 118.01 3itv h ARG 301 Ca 0.13 -0.06 -0.02 0.00 -0.81 0.00 0.00 59.98 59.22 3itv h ARG 301 Cb 0.70 -0.23 -0.04 0.00 -0.42 0.00 0.00 29.97 29.98 3itv h ARG 301 CO 0.05 0.68 0.39 1.25 -1.51 0.00 0.00 179.97 180.83 3itv h LEU 302 N 1.06 0.98 -0.64 3.80 5.85 -1.40 -1.24 115.31 123.71 3itv h LEU 302 Ca 0.34 -0.12 -0.05 0.00 0.84 0.00 0.00 57.88 58.89 3itv h LEU 302 Cb 0.02 -0.25 -0.03 0.00 0.37 0.00 0.00 40.66 40.77 3itv h LEU 302 CO -0.12 0.83 0.20 0.15 -0.34 0.00 0.00 178.44 179.15 3itv h PHE 303 N 1.07 1.03 -0.09 1.25 3.57 -0.47 -1.97 116.94 121.33 3itv h PHE 303 Ca 0.26 -0.10 -0.06 0.00 3.53 0.00 0.00 57.97 61.60 3itv h PHE 303 Cb 0.09 -0.30 -0.01 0.00 2.79 0.00 0.00 35.95 38.52 3itv h PHE 303 CO 0.01 0.84 -0.22 -0.07 -2.23 0.00 0.00 178.31 176.64 3itv h LEU 304 N 0.92 0.14 -0.23 0.59 3.38 -0.16 0.22 115.31 120.18 3itv h LEU 304 Ca 0.21 -0.03 -0.07 0.00 0.09 0.00 0.00 57.88 58.07 3itv h LEU 304 Cb 0.30 -0.04 -0.01 0.00 0.09 0.00 0.00 40.66 41.00 3itv h LEU 304 CO -0.01 0.37 -0.13 0.58 0.09 0.00 0.00 178.44 179.34 3itv h VAL 305 N 0.14 1.31 0.00 1.22 2.07 -0.90 -2.82 116.25 117.26 3itv h VAL 305 Ca 0.02 -1.22 -0.04 0.00 0.82 0.00 0.00 66.70 66.29 3itv h VAL 305 Cb 0.46 1.61 -0.01 0.00 -1.52 0.00 0.00 31.29 31.83 3itv h VAL 305 CO 0.03 0.38 -0.20 -0.26 0.02 0.00 0.00 177.57 177.54 3itv h PHE 306 N 0.21 0.00 -0.65 1.57 0.04 -0.74 -1.83 116.94 115.53 3itv h PHE 306 Ca 0.05 0.00 -0.05 0.00 2.80 0.00 0.00 57.97 60.77 3itv h PHE 306 Cb 0.63 0.00 -0.03 0.00 2.20 0.00 0.00 35.95 38.76 3itv h PHE 306 CO 0.07 0.20 0.20 -0.97 -0.60 0.00 0.00 178.31 177.20 3itv h ASN 307 N 0.00 0.93 -0.02 2.17 -1.24 -0.34 0.89 115.58 117.97 3itv h ASN 307 Ca -0.00 -0.16 -0.14 0.00 0.71 0.00 0.00 56.30 56.70 3itv h ASN 307 Cb 0.52 -0.24 -0.01 0.00 0.73 0.00 0.00 38.32 39.32 3itv h ASN 307 CO 0.03 0.88 -0.46 -0.33 -1.29 0.00 0.00 177.43 176.25 3itv h GLU 308 N 0.96 0.57 -0.43 6.67 4.39 -1.16 -1.17 114.58 124.42 3itv h GLU 308 Ca 0.21 -0.32 -0.12 0.00 0.34 0.00 0.00 59.36 59.48 3itv h GLU 308 Cb 0.28 0.02 -0.01 0.00 -0.10 0.00 0.00 28.75 28.94 3itv h GLU 308 CO -0.01 0.91 -0.19 -0.07 -1.16 0.00 0.00 179.01 178.50 3itv h LEU 309 N 0.46 0.91 -0.60 1.33 3.38 -0.90 -1.84 115.31 118.05 3itv h LEU 309 Ca 0.03 -0.40 -0.15 0.00 0.09 0.00 0.00 57.88 57.45 3itv h LEU 309 Cb 0.98 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 41.47 3itv h LEU 309 CO 0.09 1.10 -0.66 0.58 0.09 0.00 0.00 178.44 179.64 3itv h VAL 310 N 0.71 1.42 -0.55 1.22 2.07 -0.80 -2.98 116.25 117.34 3itv h VAL 310 Ca 0.10 -2.14 -0.10 0.00 0.82 0.00 0.00 66.70 65.38 3itv h VAL 310 Cb 0.75 2.12 -0.02 0.00 -1.52 0.00 0.00 31.29 32.62 3itv h VAL 310 CO 0.06 0.63 -0.04 -0.78 0.02 0.00 0.00 177.57 177.45 3itv h ASP 311 N 0.13 1.00 -0.86 0.57 -0.00 -1.08 -0.51 116.42 115.67 3itv h ASP 311 Ca -0.01 -0.32 0.03 0.00 -0.00 0.00 0.00 57.03 56.72 3itv h ASP 311 Cb 1.19 -0.27 -0.05 0.00 -0.00 0.00 0.00 39.33 40.20 3itv h ASP 311 CO 0.10 1.08 0.56 0.00 -0.00 0.00 0.00 179.24 180.98 3itv h ALA 312 N 0.95 1.13 -0.04 -0.78 0.00 -1.27 -1.83 119.26 117.43 3itv h ALA 312 Ca 0.15 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 55.02 3itv h ALA 312 Cb 0.60 -0.30 -0.00 0.00 0.00 0.00 0.00 17.79 18.09 3itv h ALA 312 CO 0.04 0.40 -0.01 0.93 0.00 0.00 0.00 179.25 180.61 3itv h GLU 313 N 1.08 0.07 -0.90 0.00 5.08 -1.34 -0.60 114.58 117.98 3itv h GLU 313 Ca 0.34 -0.03 0.20 0.00 -1.00 0.00 0.00 59.36 58.88 3itv h GLU 313 Cb -0.00 -0.00 -0.12 0.00 0.50 0.00 0.00 28.75 29.13 3itv h GLU 313 CO -0.11 0.42 0.43 0.00 -1.00 0.00 0.00 179.01 178.75 3itv h ALA 314 N 0.64 1.43 -0.49 3.43 0.00 -0.63 0.25 119.26 123.89 3itv h ALA 314 Ca 0.01 0.14 0.00 0.00 0.00 0.00 0.00 54.91 55.05 3itv h ALA 314 Cb 0.40 0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.27 3itv h ALA 314 CO 0.00 -0.26 0.00 2.89 0.00 0.00 0.00 179.25 181.88 3itv n ARG 315 N -4.98 2.67 -3.86 0.00 1.85 -0.73 -4.95 116.66 106.66 3itv n ARG 315 Ca 0.21 -1.99 -0.26 0.00 -1.00 0.00 0.00 57.85 54.82 3itv n ARG 315 Cb 0.60 -1.59 -0.00 0.00 -1.05 0.00 0.00 32.46 30.42 3itv n ARG 315 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 3itv n GLY 316 N 1.08 -0.37 3.73 2.89 0.00 0.87 -4.87 105.19 108.52 3itv n GLY 316 Ca 0.18 0.20 -0.42 0.00 0.00 0.00 0.00 46.02 45.98 3itv n GLY 316 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3itv s VAL 317 N -3.82 2.26 0.35 1.61 1.01 -0.26 -4.94 120.40 116.60 3itv s VAL 317 Ca 0.08 0.20 -0.28 0.00 0.00 0.00 0.00 61.98 61.99 3itv s VAL 317 Cb -0.03 -3.13 -0.10 0.00 0.00 0.00 0.00 36.38 33.13 3itv s VAL 317 CO 0.87 0.02 1.28 -1.59 0.00 0.00 0.00 175.10 175.68 3itv s LYS 318 N 0.45 4.25 -0.44 2.72 -2.85 -1.26 -3.15 119.74 119.46 3itv s LYS 318 Ca 0.68 2.13 0.00 0.00 -1.00 0.00 0.00 55.97 57.78 3itv s LYS 318 Cb -0.47 -2.96 0.00 0.00 -2.06 0.00 0.00 37.83 32.34 3itv s LYS 318 CO 0.38 -0.25 0.00 0.41 0.10 0.00 0.00 175.35 175.99 3itv n GLY 319 N 0.77 0.59 3.60 0.59 0.00 -1.26 -4.79 105.19 104.69 3itv n GLY 319 Ca 0.01 -0.16 -0.42 0.00 0.00 0.00 0.00 46.02 45.45 3itv n GLY 319 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 3itv s PHE 320 N -1.78 3.13 -0.39 1.61 5.36 -1.19 -4.87 117.98 119.85 3itv s PHE 320 Ca 0.00 0.66 0.02 0.00 -0.96 0.00 0.00 56.93 56.65 3itv s PHE 320 Cb 0.00 -3.40 0.28 0.00 -0.34 0.00 0.00 43.02 39.56 3itv s PHE 320 CO 0.00 -0.71 1.16 1.58 -1.46 0.00 0.00 175.22 175.79 3itv n HIS 321 N 6.43 -1.52 -2.37 10.12 -0.00 -1.26 -5.04 115.22 121.58 3itv n HIS 321 Ca 0.04 -1.14 -0.36 0.00 0.46 0.00 0.00 57.72 56.72 3itv n HIS 321 Cb 0.48 1.29 -0.02 0.00 -0.12 0.00 0.00 29.99 31.63 3itv n HIS 321 CO 0.00 0.00 0.00 -1.25 0.46 0.00 0.00 176.34 175.55 3itv s PRO 322 N 0.27 3.72 0.03 1.57 0.04 -1.26 -4.93 135.00 134.44 3itv s PRO 322 Ca 0.26 1.59 -0.18 0.00 0.04 0.00 0.00 61.00 62.71 3itv s PRO 322 Cb 0.24 -2.25 -0.06 0.00 0.04 0.00 0.00 34.50 32.47 3itv s PRO 322 CO -0.14 -0.54 0.53 0.00 0.04 0.00 0.00 177.00 176.89 3itv s ALA 323 N -1.72 3.59 -0.13 8.56 0.00 -0.05 -4.90 121.76 127.10 3itv s ALA 323 Ca 0.66 -0.04 -0.02 0.00 0.00 0.00 0.00 51.96 52.56 3itv s ALA 323 Cb -0.23 -2.60 -0.03 0.00 0.00 0.00 0.00 23.12 20.26 3itv s ALA 323 CO 0.28 0.34 -0.05 -1.01 0.00 0.00 0.00 175.76 175.32 3itv s HIS 324 N -0.80 3.00 -0.00 0.00 3.76 -1.26 -0.36 115.29 119.63 3itv s HIS 324 Ca 0.28 -0.25 -0.06 0.00 -0.15 0.00 0.00 55.06 54.88 3itv s HIS 324 Cb -0.18 -1.89 -0.00 0.00 1.11 0.00 0.00 32.58 31.61 3itv s HIS 324 CO 0.17 0.04 0.11 -1.64 -0.85 0.00 0.00 174.74 172.57 3itv s MET 325 N 0.08 0.42 -0.17 1.40 -1.94 -0.62 -0.92 119.30 117.56 3itv s MET 325 Ca -0.01 -0.37 -0.12 0.00 -1.71 0.00 0.00 55.69 53.48 3itv s MET 325 Cb -0.14 0.17 -0.05 0.00 2.01 0.00 0.00 34.83 36.83 3itv s MET 325 CO 0.03 -0.09 0.23 0.42 -0.01 0.00 0.00 175.02 175.59 3itv s ILE 326 N -1.24 5.35 -0.39 2.53 1.01 0.06 0.02 121.20 128.54 3itv s ILE 326 Ca -0.13 0.41 0.01 0.00 0.00 0.00 0.00 60.65 60.94 3itv s ILE 326 Cb -0.07 -3.56 0.12 0.00 0.01 0.00 0.00 42.46 38.96 3itv s ILE 326 CO 0.01 0.42 0.18 -0.62 0.00 0.00 0.00 174.94 174.93 3itv s ASP 327 N 0.32 3.83 0.19 3.58 2.15 -0.48 -3.76 116.67 122.49 3itv s ASP 327 Ca 0.13 -2.27 0.01 0.00 0.43 0.00 0.00 52.55 50.86 3itv s ASP 327 Cb -0.12 -1.01 -0.05 0.00 -0.30 0.00 0.00 42.92 41.45 3itv s ASP 327 CO 0.02 -0.32 0.04 -1.10 -0.17 0.00 0.00 175.17 173.64 3itv s GLN 328 N 0.81 1.16 -0.03 4.34 -0.21 -1.26 -4.53 119.66 119.94 3itv s GLN 328 Ca 0.15 -1.58 0.03 0.00 0.02 0.00 0.00 55.36 53.98 3itv s GLN 328 Cb -0.22 -0.15 0.00 0.00 1.00 0.00 0.00 33.01 33.64 3itv s GLN 328 CO -0.08 -0.21 -0.12 0.15 -2.12 0.00 0.00 175.29 172.91 3itv s LYS 329 N -3.98 1.26 -0.34 2.91 -0.14 -0.66 -4.58 119.74 114.21 3itv s LYS 329 Ca 0.28 -0.41 0.02 0.00 -1.36 0.00 0.00 55.97 54.51 3itv s LYS 329 Cb 0.07 -1.13 0.09 0.00 -1.68 0.00 0.00 37.83 35.18 3itv s LYS 329 CO 0.06 0.15 0.05 -1.01 -0.76 0.00 0.00 175.35 173.84 3itv s HIS 330 N 0.16 3.61 -0.13 3.18 3.76 -1.26 -4.60 115.29 120.01 3itv s HIS 330 Ca -0.04 -2.68 0.19 0.00 -0.15 0.00 0.00 55.06 52.38 3itv s HIS 330 Cb -0.10 -2.74 -0.19 0.00 1.11 0.00 0.00 32.58 30.67 3itv s HIS 330 CO 0.01 -0.93 0.63 0.09 -0.85 0.00 0.00 174.74 173.69 3itv n ASN 331 N 4.38 0.49 -0.40 1.40 3.02 -1.26 -0.90 115.26 121.98 3itv n ASN 331 Ca -0.02 0.21 0.05 0.00 -0.03 0.00 0.00 54.58 54.78 3itv n ASN 331 Cb 0.42 0.82 0.07 0.00 -0.61 0.00 0.00 39.78 40.47 3itv n ASN 331 CO 0.00 0.00 0.00 1.33 -2.62 0.00 0.00 177.26 175.97 3itv n VAL 332 N -2.67 0.86 -4.19 2.41 0.24 -1.26 -4.75 118.33 108.96 3itv n VAL 332 Ca -0.11 -1.13 -0.12 0.00 -2.04 0.00 0.00 64.34 60.94 3itv n VAL 332 Cb 0.79 0.20 -0.09 0.00 -1.47 0.00 0.00 33.84 33.27 3itv n VAL 332 CO 0.00 0.00 0.00 0.42 -2.14 0.00 0.00 176.83 175.11 3itv s THR 333 N -1.30 0.00 -0.21 3.34 -4.23 -1.26 -5.10 115.64 106.88 3itv s THR 333 Ca 0.17 -1.96 -0.29 0.00 -1.18 0.00 0.00 61.69 58.43 3itv s THR 333 Cb 0.16 -2.48 -0.01 0.00 1.34 0.00 0.00 72.50 71.50 3itv s THR 333 CO -0.00 0.00 1.35 -0.62 -0.54 0.00 0.00 174.62 174.81 3itv s ASP 334 N -3.17 6.76 0.31 3.99 -1.08 -1.26 -4.90 116.67 117.33 3itv s ASP 334 Ca 0.38 1.57 0.07 0.00 -0.52 0.00 0.00 52.55 54.05 3itv s ASP 334 Cb 0.06 -2.54 0.79 0.00 -1.46 0.00 0.00 42.92 39.78 3itv s ASP 334 CO 0.13 -0.94 1.76 -0.65 0.52 0.00 0.00 175.17 175.99 3itv h PRO 335 N 8.97 0.68 -0.46 4.34 0.11 -1.87 -1.20 132.00 142.56 3itv h PRO 335 Ca -0.28 -0.04 -0.06 0.00 0.11 0.00 0.00 66.00 65.73 3itv h PRO 335 Cb 1.11 -0.15 -0.02 0.00 0.11 0.00 0.00 31.00 32.05 3itv h PRO 335 CO 0.99 0.45 0.06 0.82 -0.21 0.00 0.00 178.00 180.11 3itv h ILE 336 N 0.70 1.25 -0.49 4.15 1.08 -1.86 -0.77 117.51 121.56 3itv h ILE 336 Ca 0.60 -0.94 -0.05 0.00 -0.39 0.00 0.00 64.86 64.08 3itv h ILE 336 Cb 1.02 0.97 -0.02 0.00 -3.07 0.00 0.00 36.82 35.72 3itv h ILE 336 CO -0.42 0.33 0.13 -0.33 -0.69 0.00 0.00 178.15 177.17 3itv h GLU 337 N 0.63 0.78 -0.61 2.37 5.08 -1.68 -0.98 114.58 120.18 3itv h GLU 337 Ca 0.14 -0.18 -0.04 0.00 -1.00 0.00 0.00 59.36 58.28 3itv h GLU 337 Cb 0.42 -0.11 -0.03 0.00 0.50 0.00 0.00 28.75 29.53 3itv h GLU 337 CO 0.01 0.75 0.23 0.77 -1.00 0.00 0.00 179.01 179.77 3itv h SER 338 N 0.67 0.85 -0.32 1.42 0.02 -1.10 -1.20 113.55 113.88 3itv h SER 338 Ca 0.16 -0.18 -0.07 0.00 -0.84 0.00 0.00 61.79 60.86 3itv h SER 338 Cb 0.31 -0.22 -0.02 0.00 0.14 0.00 0.00 62.40 62.61 3itv h SER 338 CO -0.00 0.80 -0.04 -0.07 -1.14 0.00 0.00 176.83 176.38 3itv h LEU 339 N 0.85 0.68 0.44 5.07 3.38 -0.96 0.49 115.31 125.24 3itv h LEU 339 Ca 0.20 -0.17 -0.02 0.00 0.09 0.00 0.00 57.88 57.98 3itv h LEU 339 Cb 0.22 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 40.80 3itv h LEU 339 CO -0.01 0.77 -0.21 0.40 0.09 0.00 0.00 178.44 179.48 3itv h ILE 340 N 0.66 0.57 0.00 1.22 2.04 -0.79 -0.49 117.51 120.71 3itv h ILE 340 Ca 0.13 -0.15 -0.03 0.00 1.00 0.00 0.00 64.86 65.80 3itv h ILE 340 Cb 0.46 0.64 -0.00 0.00 -0.74 0.00 0.00 36.82 37.18 3itv h ILE 340 CO 0.02 0.03 -0.16 0.78 0.00 0.00 0.00 178.15 178.82 3itv h ASN 341 N -0.67 0.00 -0.08 1.72 4.21 -1.08 -1.44 115.58 118.24 3itv h ASN 341 Ca -0.06 0.00 -0.17 0.00 1.21 0.00 0.00 56.30 57.28 3itv h ASN 341 Cb 0.50 0.00 0.01 0.00 -1.12 0.00 0.00 38.32 37.70 3itv h ASN 341 CO 0.10 0.16 -0.59 0.28 -1.29 0.00 0.00 177.43 176.09 3itv h SER 342 N 0.00 0.67 -0.24 5.81 0.02 -0.72 -1.00 113.55 118.09 3itv h SER 342 Ca -0.00 -0.67 -0.04 0.00 -0.84 0.00 0.00 61.79 60.24 3itv h SER 342 Cb 0.55 -0.20 -0.02 0.00 0.14 0.00 0.00 62.40 62.87 3itv h SER 342 CO 0.02 1.23 0.04 0.00 -1.14 0.00 0.00 176.83 176.98 3itv h ALA 343 N 0.45 1.45 -0.29 3.77 0.00 -0.76 -1.60 119.26 122.28 3itv h ALA 343 Ca -0.05 -0.17 -0.04 0.00 0.00 0.00 0.00 54.91 54.65 3itv h ALA 343 Cb 1.25 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.88 3itv h ALA 343 CO 0.12 0.39 0.02 -0.91 0.00 0.00 0.00 179.25 178.87 3itv h ASN 344 N 0.48 0.49 -0.28 0.00 -0.26 -1.11 -2.18 115.58 112.72 3itv h ASN 344 Ca 0.11 -0.29 -0.04 0.00 -0.56 0.00 0.00 56.30 55.52 3itv h ASN 344 Cb 0.25 -0.13 -0.02 0.00 -1.06 0.00 0.00 38.32 37.36 3itv h ASN 344 CO 0.00 0.66 0.07 -0.33 -1.06 0.00 0.00 177.43 176.78 3itv h GLU 345 N 0.30 0.53 -0.26 0.81 4.39 -0.66 0.11 114.58 119.81 3itv h GLU 345 Ca 0.08 -0.09 -0.05 0.00 0.34 0.00 0.00 59.36 59.65 3itv h GLU 345 Cb 0.40 -0.09 -0.01 0.00 -0.10 0.00 0.00 28.75 28.95 3itv h GLU 345 CO 0.01 0.50 -0.04 0.82 -1.16 0.00 0.00 179.01 179.15 3itv h ILE 346 N 0.52 1.27 -0.06 3.13 2.04 -1.13 -1.09 117.51 122.18 3itv h ILE 346 Ca 0.12 -1.01 -0.08 0.00 1.00 0.00 0.00 64.86 64.89 3itv h ILE 346 Cb 0.22 1.42 -0.01 0.00 -0.74 0.00 0.00 36.82 37.71 3itv h ILE 346 CO -0.00 0.32 -0.34 0.03 0.00 0.00 0.00 178.15 178.15 3itv h ARG 347 N 0.23 0.12 0.06 2.37 3.08 -0.98 -1.99 114.38 117.27 3itv h ARG 347 Ca 0.07 -0.05 -0.00 0.00 0.07 0.00 0.00 59.98 60.07 3itv h ARG 347 Cb 0.48 -0.01 0.00 0.00 0.08 0.00 0.00 29.97 30.53 3itv h ARG 347 CO 0.02 0.46 -0.03 -0.09 -1.07 0.00 0.00 179.97 179.26 3itv h ARG 348 N 0.11 -0.08 -0.90 0.04 2.43 -0.45 0.68 114.38 116.21 3itv h ARG 348 Ca 0.01 0.01 -0.02 0.00 -0.81 0.00 0.00 59.98 59.17 3itv h ARG 348 Cb 0.67 0.02 -0.04 0.00 -0.42 0.00 0.00 29.97 30.19 3itv h ARG 348 CO 0.05 0.06 0.50 0.00 -1.51 0.00 0.00 179.97 179.07 3itv h ALA 349 N 0.72 1.15 -0.08 2.80 0.00 -1.09 -1.40 119.26 121.38 3itv h ALA 349 Ca -0.01 -0.13 -0.00 0.00 0.00 0.00 0.00 54.91 54.77 3itv h ALA 349 Cb 0.18 -0.36 -0.00 0.00 0.00 0.00 0.00 17.79 17.61 3itv h ALA 349 CO 0.01 0.66 0.04 -0.92 0.00 0.00 0.00 179.25 179.04 3itv h TYR 350 N 1.26 0.11 -0.61 0.00 3.20 -1.10 -1.12 116.97 118.71 3itv h TYR 350 Ca 0.32 -0.00 0.04 0.00 3.14 0.00 0.00 58.73 62.22 3itv h TYR 350 Cb 0.02 -0.03 -0.04 0.00 1.54 0.00 0.00 36.73 38.21 3itv h TYR 350 CO 0.01 0.17 0.36 0.00 -1.64 0.00 0.00 178.16 177.06 3itv h ALA 351 N 0.93 0.80 -0.74 1.82 0.00 -0.57 -1.52 119.26 119.97 3itv h ALA 351 Ca 0.03 -0.01 -0.06 0.00 0.00 0.00 0.00 54.91 54.87 3itv h ALA 351 Cb 0.10 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 17.70 3itv h ALA 351 CO -0.00 0.08 0.21 1.96 0.00 0.00 0.00 179.25 181.49 3itv h GLN 352 N 0.70 1.16 -0.33 0.00 4.20 -1.11 -2.20 115.11 117.54 3itv h GLN 352 Ca 0.25 -0.26 -0.02 0.00 0.06 0.00 0.00 58.65 58.68 3itv h GLN 352 Cb 0.07 -0.16 -0.02 0.00 0.30 0.00 0.00 27.48 27.67 3itv h GLN 352 CO -0.12 1.00 0.10 0.00 -0.67 0.00 0.00 178.83 179.14 3itv h ALA 353 N 1.11 1.57 0.00 3.87 0.00 -0.55 -1.15 119.26 124.11 3itv h ALA 353 Ca 0.24 -0.12 -0.03 0.00 0.00 0.00 0.00 54.91 55.00 3itv h ALA 353 Cb 0.34 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 17.98 3itv h ALA 353 CO -0.00 0.33 -0.14 -0.07 0.00 0.00 0.00 179.25 179.37 3itv h LEU 354 N 0.46 0.00 -0.24 0.00 3.38 -0.67 -2.70 115.31 115.54 3itv h LEU 354 Ca 0.11 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.08 3itv h LEU 354 Cb 0.15 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.90 3itv h LEU 354 CO -0.01 0.14 0.00 -0.07 0.09 0.00 0.00 178.44 178.59 3itv h LEU 355 N 0.00 0.00 -9.54 1.67 3.38 -0.95 -3.46 115.31 106.42 3itv h LEU 355 Ca -0.00 0.00 -0.56 0.00 0.09 0.00 0.00 57.88 57.41 3itv h LEU 355 Cb 0.47 0.00 0.05 0.00 0.09 0.00 0.00 40.66 41.27 3itv h LEU 355 CO 0.02 0.00 0.93 0.52 0.09 0.00 0.00 178.44 180.00 3itv n VAL 356 N -2.73 0.09 -2.45 1.22 0.31 -1.02 -4.82 118.33 108.93 3itv n VAL 356 Ca 0.04 -0.02 -0.39 0.00 -0.01 0.00 0.00 64.34 63.96 3itv n VAL 356 Cb 0.44 -1.78 -0.03 0.00 -0.91 0.00 0.00 33.84 31.56 3itv n VAL 356 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 3itv s ASP 357 N 1.46 6.12 0.32 4.52 -1.08 -1.26 -4.84 116.67 121.90 3itv s ASP 357 Ca 0.79 -0.90 0.00 0.00 -0.52 0.00 0.00 52.55 51.92 3itv s ASP 357 Cb -0.60 -2.56 0.54 0.00 -1.46 0.00 0.00 42.92 38.83 3itv s ASP 357 CO 0.37 -1.84 1.98 0.03 0.52 0.00 0.00 175.17 176.22 3itv h ARG 358 N 10.49 0.97 -0.17 4.34 2.47 -1.95 -0.54 114.38 129.99 3itv h ARG 358 Ca 0.00 -0.06 -0.03 0.00 -1.26 0.00 0.00 59.98 58.64 3itv h ARG 358 Cb 1.03 -0.22 -0.01 0.00 -1.65 0.00 0.00 29.97 29.13 3itv h ARG 358 CO 1.34 0.64 0.01 0.00 0.56 0.00 0.00 179.97 182.52 3itv h ALA 359 N 1.53 0.23 -0.46 0.04 0.00 -2.00 -0.93 119.26 117.68 3itv h ALA 359 Ca 0.29 -0.19 -0.03 0.00 0.00 0.00 0.00 54.91 54.99 3itv h ALA 359 Cb -0.06 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 17.65 3itv h ALA 359 CO -0.07 -0.07 0.19 0.00 0.00 0.00 0.00 179.25 179.29 3itv h ALA 360 N 0.79 0.60 -0.40 0.00 0.00 -1.91 -1.99 119.26 116.34 3itv h ALA 360 Ca 0.05 -0.14 0.01 0.00 0.00 0.00 0.00 54.91 54.83 3itv h ALA 360 Cb 0.36 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 17.94 3itv h ALA 360 CO 0.01 0.20 0.24 1.25 0.00 0.00 0.00 179.25 180.95 3itv h LEU 361 N 0.60 0.40 -1.00 0.00 5.85 -1.02 -1.23 115.31 118.90 3itv h LEU 361 Ca 0.15 0.00 0.04 0.00 0.84 0.00 0.00 57.88 58.91 3itv h LEU 361 Cb 0.19 -0.08 -0.06 0.00 0.37 0.00 0.00 40.66 41.07 3itv h LEU 361 CO -0.01 0.29 0.66 -1.28 -0.34 0.00 0.00 178.44 177.75 3itv h SER 362 N 0.49 1.10 -0.41 1.25 0.87 -0.98 -0.24 113.55 115.63 3itv h SER 362 Ca 0.16 -0.01 -0.02 0.00 -1.23 0.00 0.00 61.79 60.68 3itv h SER 362 Cb -0.01 -0.25 -0.02 0.00 -0.44 0.00 0.00 62.40 61.68 3itv h SER 362 CO -0.07 0.75 0.17 1.23 -0.53 0.00 0.00 176.83 178.39 3itv h GLY 363 N 1.28 0.66 2.00 5.77 0.00 -0.69 -0.85 103.07 111.24 3itv h GLY 363 Ca 0.40 -0.35 -0.08 0.00 0.00 0.00 0.00 47.33 47.29 3itv h GLY 363 CO -0.12 0.33 -0.40 -0.97 0.00 0.00 0.00 176.54 175.38 3itv h TYR 364 N 0.52 0.00 -0.12 5.60 0.05 -0.72 -1.70 116.97 120.61 3itv h TYR 364 Ca 0.14 0.00 -0.10 0.00 0.05 0.00 0.00 58.73 58.82 3itv h TYR 364 Cb 0.18 0.00 0.00 0.00 1.01 0.00 0.00 36.73 37.92 3itv h TYR 364 CO -0.00 0.40 -0.32 1.96 -1.05 0.00 0.00 178.16 179.15 3itv h GLN 365 N 0.00 0.43 -0.33 4.88 4.20 -0.75 0.56 115.11 124.10 3itv h GLN 365 Ca -0.00 -0.30 -0.06 0.00 0.06 0.00 0.00 58.65 58.34 3itv h GLN 365 Cb 0.77 0.05 -0.02 0.00 0.30 0.00 0.00 27.48 28.58 3itv h GLN 365 CO 0.05 0.92 -0.05 0.93 -0.67 0.00 0.00 178.83 180.01 3itv h GLU 366 N 0.01 0.53 -0.16 1.46 4.39 -1.01 -2.46 114.58 117.34 3itv h GLU 366 Ca -0.01 -0.13 0.00 0.00 0.34 0.00 0.00 59.36 59.56 3itv h GLU 366 Cb 0.93 -0.07 0.00 0.00 -0.10 0.00 0.00 28.75 29.51 3itv h GLU 366 CO 0.07 0.60 0.00 -0.25 -1.16 0.00 0.00 179.01 178.27 3itv n ASP 367 N -4.24 1.63 -3.64 1.42 8.00 -0.65 -4.93 116.55 114.14 3itv n ASP 367 Ca 0.01 -1.70 -0.27 0.00 0.71 0.00 0.00 54.79 53.54 3itv n ASP 367 Cb 0.28 -0.10 0.04 0.00 -0.02 0.00 0.00 41.12 41.32 3itv n ASP 367 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 3itv n ASN 368 N 0.30 -5.38 -4.34 -2.24 4.13 -0.80 -4.89 115.26 102.04 3itv n ASN 368 Ca 0.16 -0.60 -0.44 0.00 1.68 0.00 0.00 54.58 55.38 3itv n ASN 368 Cb 0.32 -4.29 0.00 0.00 -1.54 0.00 0.00 39.78 34.27 3itv n ASN 368 CO 0.00 0.00 0.00 -0.67 0.28 0.00 0.00 177.26 176.87 3itv n ASP 369 N -2.79 5.46 -0.36 6.41 -0.08 0.12 -4.87 116.55 120.45 3itv n ASP 369 Ca 0.01 -3.05 0.03 0.00 -1.51 0.00 0.00 54.79 50.27 3itv n ASP 369 Cb 0.55 -1.45 0.18 0.00 2.34 0.00 0.00 41.12 42.74 3itv n ASP 369 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 3itv h ALA 370 N 6.69 1.38 -0.19 -1.67 0.00 -1.90 -1.18 119.26 122.38 3itv h ALA 370 Ca 0.25 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 55.13 3itv h ALA 370 Cb 0.84 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 18.35 3itv h ALA 370 CO 1.16 0.37 0.05 1.25 0.00 0.00 0.00 179.25 182.08 3itv h LEU 371 N 1.10 0.28 -0.82 0.00 6.46 -1.96 -1.66 115.31 118.71 3itv h LEU 371 Ca 0.43 -0.22 -0.10 0.00 -0.12 0.00 0.00 57.88 57.88 3itv h LEU 371 Cb 0.23 -0.07 -0.01 0.00 -0.73 0.00 0.00 40.66 40.07 3itv h LEU 371 CO -0.19 0.43 -0.45 0.24 -0.62 0.00 0.00 178.44 177.84 3itv h MET 372 N 0.12 0.00 -0.21 1.25 2.86 -1.92 -1.50 114.93 115.52 3itv h MET 372 Ca 0.06 0.00 -0.04 0.00 -2.06 0.00 0.00 59.70 57.66 3itv h MET 372 Cb 0.26 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 31.91 3itv h MET 372 CO -0.00 0.45 -0.01 0.00 1.06 0.00 0.00 176.91 178.42 3itv h ALA 373 N 1.55 0.29 -0.20 6.32 0.00 -1.05 -0.23 119.26 125.93 3itv h ALA 373 Ca -0.00 -0.22 -0.11 0.00 0.00 0.00 0.00 54.91 54.58 3itv h ALA 373 Cb 0.99 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.69 3itv h ALA 373 CO 0.06 0.01 -0.37 0.00 0.00 0.00 0.00 179.25 178.96 3itv h THR 374 N 0.14 1.29 0.00 0.00 1.03 -1.21 -2.40 112.91 111.76 3itv h THR 374 Ca 0.06 -1.47 -0.08 0.00 -0.01 0.00 0.00 66.41 64.91 3itv h THR 374 Cb 0.41 1.55 -0.01 0.00 -1.07 0.00 0.00 68.15 69.02 3itv h THR 374 CO 0.01 0.46 -0.37 -0.08 -0.01 0.00 0.00 175.52 175.52 3itv h GLU 375 N 0.36 0.00 -0.46 0.00 4.57 -1.12 -1.09 114.58 116.84 3itv h GLU 375 Ca 0.04 0.00 -0.11 0.00 -1.18 0.00 0.00 59.36 58.11 3itv h GLU 375 Cb 0.81 0.00 -0.02 0.00 -0.16 0.00 0.00 28.75 29.38 3itv h GLU 375 CO 0.07 0.37 -0.14 1.15 -1.18 0.00 0.00 179.01 179.28 3itv h THR 376 N 0.00 1.26 -0.26 0.32 2.02 -0.53 0.26 112.91 115.98 3itv h THR 376 Ca -0.00 -1.25 -0.17 0.00 0.77 0.00 0.00 66.41 65.76 3itv h THR 376 Cb 0.74 1.06 0.00 0.00 -1.74 0.00 0.00 68.15 68.21 3itv h THR 376 CO 0.05 0.43 -0.49 -0.07 0.37 0.00 0.00 175.52 175.81 3itv h LEU 377 N 0.77 0.88 -1.19 2.58 3.38 -1.20 -3.21 115.31 117.32 3itv h LEU 377 Ca 0.12 -0.53 -0.05 0.00 0.09 0.00 0.00 57.88 57.51 3itv h LEU 377 Cb 0.66 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 41.13 3itv h LEU 377 CO 0.05 1.25 0.07 0.11 0.09 0.00 0.00 178.44 180.00 3itv h LYS 378 N 0.54 0.62 -0.35 1.13 1.79 -0.90 -1.18 116.57 118.23 3itv h LYS 378 Ca 0.01 -0.12 -0.00 0.00 -2.18 0.00 0.00 60.65 58.36 3itv h LYS 378 Cb 1.09 -0.10 -0.02 0.00 -1.58 0.00 0.00 32.23 31.63 3itv h LYS 378 CO 0.11 0.60 0.21 0.00 -1.08 0.00 0.00 179.45 179.29 3itv h ARG 379 N 0.60 0.47 0.01 3.15 3.08 -0.95 0.31 114.38 121.06 3itv h ARG 379 Ca 0.13 -0.03 -0.00 0.00 0.07 0.00 0.00 59.98 60.15 3itv h ARG 379 Cb 0.28 -0.10 0.00 0.00 0.08 0.00 0.00 29.97 30.23 3itv h ARG 379 CO 0.00 0.33 -0.01 0.00 -1.07 0.00 0.00 179.97 179.23 3itv h ALA 380 N 1.76 -0.01 -0.51 0.04 0.00 -1.47 -3.30 119.26 115.77 3itv h ALA 380 Ca 0.13 -0.40 -0.01 0.00 0.00 0.00 0.00 54.91 54.63 3itv h ALA 380 Cb -0.02 0.01 -0.03 0.00 0.00 0.00 0.00 17.79 17.75 3itv h ALA 380 CO -0.02 -0.08 0.28 -0.92 0.00 0.00 0.00 179.25 178.50 3itv h TYR 381 N -0.86 0.67 0.00 0.00 3.20 -0.87 -2.27 116.97 116.84 3itv h TYR 381 Ca -0.00 -0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.87 3itv h TYR 381 Cb 0.80 -0.22 0.00 0.00 1.54 0.00 0.00 36.73 38.85 3itv h TYR 381 CO 0.21 0.47 0.00 0.00 -1.64 0.00 0.00 178.16 177.20 3itv h ARG 382 N 0.70 0.00 -6.44 1.82 3.08 -0.51 -3.44 114.38 109.59 3itv h ARG 382 Ca 0.18 0.00 -0.54 0.00 0.07 0.00 0.00 59.98 59.69 3itv h ARG 382 Cb 0.01 0.00 0.01 0.00 0.08 0.00 0.00 29.97 30.07 3itv h ARG 382 CO -0.03 0.00 0.73 0.99 -1.07 0.00 0.00 179.97 180.59 3itv s THR 383 N -3.41 3.70 -0.63 2.04 2.01 -0.86 -4.96 115.64 113.53 3itv s THR 383 Ca 0.04 1.16 -0.27 0.00 0.31 0.00 0.00 61.69 62.93 3itv s THR 383 Cb 0.09 -3.74 0.03 0.00 0.01 0.00 0.00 72.50 68.89 3itv s THR 383 CO 0.46 0.04 1.17 -0.62 -0.69 0.00 0.00 174.62 174.98 3itv s ASP 384 N 1.45 6.32 0.00 3.53 2.15 -1.26 -4.85 116.67 124.01 3itv s ASP 384 Ca 0.62 -0.22 0.16 0.00 0.43 0.00 0.00 52.55 53.55 3itv s ASP 384 Cb -0.32 -2.53 0.47 0.00 -0.30 0.00 0.00 42.92 40.23 3itv s ASP 384 CO 0.28 -1.56 1.37 1.33 -0.17 0.00 0.00 175.17 176.43 3itv n VAL 385 N 6.46 0.51 -0.31 1.11 0.24 -1.26 -4.42 118.33 120.66 3itv n VAL 385 Ca 0.05 -0.55 0.10 0.00 -2.04 0.00 0.00 64.34 61.90 3itv n VAL 385 Cb 0.49 0.35 0.27 0.00 -1.47 0.00 0.00 33.84 33.48 3itv n VAL 385 CO 0.00 0.00 0.00 -0.08 -2.14 0.00 0.00 176.83 174.61 3itv h GLU 386 N 2.63 0.58 -0.81 7.34 4.57 -1.97 0.01 114.58 126.92 3itv h GLU 386 Ca 0.00 -0.03 0.07 0.00 -1.18 0.00 0.00 59.36 58.21 3itv h GLU 386 Cb 0.60 -0.13 -0.05 0.00 -0.16 0.00 0.00 28.75 29.00 3itv h GLU 386 CO 0.00 0.38 0.53 -1.35 -1.18 0.00 0.00 179.01 177.39 3itv h PRO 387 N 0.60 0.84 -0.27 0.92 0.11 -1.92 0.74 132.00 133.02 3itv h PRO 387 Ca 0.52 -0.05 -0.06 0.00 0.11 0.00 0.00 66.00 66.52 3itv h PRO 387 Cb 0.82 -0.19 -0.01 0.00 0.11 0.00 0.00 31.00 31.73 3itv h PRO 387 CO -0.41 0.56 -0.06 0.82 -0.21 0.00 0.00 178.00 178.70 3itv h ILE 388 N 0.87 1.28 -0.43 4.15 2.04 -1.34 -0.32 117.51 123.75 3itv h ILE 388 Ca 0.35 -1.07 -0.02 0.00 1.00 0.00 0.00 64.86 65.13 3itv h ILE 388 Cb 0.26 1.43 -0.02 0.00 -0.74 0.00 0.00 36.82 37.75 3itv h ILE 388 CO -0.13 0.34 0.20 -0.07 0.00 0.00 0.00 178.15 178.49 3itv h LEU 389 N 0.27 0.57 -0.53 1.44 4.07 -0.78 -0.75 115.31 119.60 3itv h LEU 389 Ca 0.07 -0.14 -0.08 0.00 0.08 0.00 0.00 57.88 57.81 3itv h LEU 389 Cb 0.53 -0.15 -0.02 0.00 1.08 0.00 0.00 40.66 42.10 3itv h LEU 389 CO 0.03 0.55 -0.00 0.00 -1.08 0.00 0.00 178.44 177.94 3itv h ALA 390 N 1.04 0.71 -0.43 1.53 0.00 -0.84 -2.09 119.26 119.19 3itv h ALA 390 Ca 0.15 -0.29 -0.12 0.00 0.00 0.00 0.00 54.91 54.65 3itv h ALA 390 Cb 0.14 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.72 3itv h ALA 390 CO -0.02 0.53 -0.20 1.49 0.00 0.00 0.00 179.25 181.05 3itv h GLU 391 N 0.81 0.85 -0.61 0.00 4.57 -0.95 0.19 114.58 119.44 3itv h GLU 391 Ca 0.15 -0.34 0.01 0.00 -1.18 0.00 0.00 59.36 58.00 3itv h GLU 391 Cb 0.53 -0.04 -0.03 0.00 -0.16 0.00 0.00 28.75 29.05 3itv h GLU 391 CO 0.03 0.98 0.40 0.00 -1.18 0.00 0.00 179.01 179.23 3itv h ALA 392 N 1.02 0.78 -0.20 2.92 0.00 -0.97 -1.18 119.26 121.64 3itv h ALA 392 Ca 0.10 -0.04 -0.03 0.00 0.00 0.00 0.00 54.91 54.95 3itv h ALA 392 Cb 0.73 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.28 3itv h ALA 392 CO 0.06 0.18 0.02 0.00 0.00 0.00 0.00 179.25 179.51 3itv h ARG 393 N 0.80 0.34 -0.82 0.00 3.08 -1.07 -2.93 114.38 113.78 3itv h ARG 393 Ca 0.23 -0.10 0.10 0.00 0.07 0.00 0.00 59.98 60.28 3itv h ARG 393 Cb -0.07 -0.04 -0.07 0.00 0.08 0.00 0.00 29.97 29.88 3itv h ARG 393 CO -0.06 0.52 0.46 -0.09 -1.07 0.00 0.00 179.97 179.73 3itv h ARG 394 N 0.11 0.75 0.00 0.04 2.43 -0.58 0.22 114.38 117.36 3itv h ARG 394 Ca 0.06 -0.05 0.00 0.00 -0.81 0.00 0.00 59.98 59.18 3itv h ARG 394 Cb 0.35 -0.17 0.00 0.00 -0.42 0.00 0.00 29.97 29.73 3itv h ARG 394 CO 0.01 0.50 0.00 0.00 -1.51 0.00 0.00 179.97 178.97 3itv h ARG 395 N 0.78 0.00 -0.19 0.20 3.08 -1.18 -3.31 114.38 113.75 3itv h ARG 395 Ca 0.40 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.45 3itv h ARG 395 Cb 0.37 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.42 3itv h ARG 395 CO -0.25 0.00 0.00 0.25 -1.07 0.00 0.00 179.97 178.90 3itv n THR 396 N -2.71 1.81 -0.15 2.04 -2.24 -0.71 -4.96 114.28 107.35 3itv n THR 396 Ca 0.03 -1.69 0.00 0.00 -2.27 0.00 0.00 64.05 60.11 3itv n THR 396 Cb 0.35 -0.02 0.00 0.00 -2.10 0.00 0.00 70.33 68.56 3itv n THR 396 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3itv n GLY 397 N -0.50 0.61 1.23 3.38 0.00 -1.08 -5.01 105.19 103.82 3itv n GLY 397 Ca 0.16 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 46.11 3itv n GLY 397 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3itv n GLY 398 N -2.02 0.74 3.75 -0.02 0.00 0.71 -4.79 105.19 103.56 3itv n GLY 398 Ca 0.00 -1.98 -0.36 0.00 0.00 0.00 0.00 46.02 43.68 3itv n GLY 398 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3itv s ALA 399 N -2.88 3.48 0.19 4.61 0.00 -0.33 -4.20 121.76 122.64 3itv s ALA 399 Ca 0.21 -0.75 -0.11 0.00 0.00 0.00 0.00 51.96 51.31 3itv s ALA 399 Cb -0.01 -1.64 0.18 0.00 0.00 0.00 0.00 23.12 21.65 3itv s ALA 399 CO 0.14 0.60 1.80 0.28 0.00 0.00 0.00 175.76 178.58 3itv h VAL 400 N 4.10 0.98 -3.14 0.00 2.07 -1.87 -3.30 116.25 115.08 3itv h VAL 400 Ca -0.52 -0.21 -0.62 0.00 0.82 0.00 0.00 66.70 66.17 3itv h VAL 400 Cb 1.20 0.31 -0.40 0.00 -1.52 0.00 0.00 31.29 30.88 3itv h VAL 400 CO 0.56 0.11 -0.72 -0.62 0.02 0.00 0.00 177.57 176.92 3itv s ASP 401 N -5.56 3.92 0.16 0.57 -1.08 -1.26 -4.66 116.67 108.75 3itv s ASP 401 Ca -0.13 -2.54 -0.24 0.00 -0.52 0.00 0.00 52.55 49.12 3itv s ASP 401 Cb 0.15 -1.18 0.03 0.00 -1.46 0.00 0.00 42.92 40.46 3itv s ASP 401 CO 0.75 -0.29 1.60 -0.65 0.52 0.00 0.00 175.17 177.10 3itv h PRO 402 N 6.93 -0.29 -0.81 4.34 0.11 -1.85 -1.03 132.00 139.39 3itv h PRO 402 Ca -0.04 0.02 -0.04 0.00 0.11 0.00 0.00 66.00 66.05 3itv h PRO 402 Cb 0.94 0.07 -0.04 0.00 0.11 0.00 0.00 31.00 32.08 3itv h PRO 402 CO 0.52 -0.19 0.36 0.28 -0.21 0.00 0.00 178.00 178.76 3itv h VAL 403 N -0.30 1.26 -0.61 3.15 2.07 -1.95 0.70 116.25 120.57 3itv h VAL 403 Ca 0.15 -0.76 -0.02 0.00 0.82 0.00 0.00 66.70 66.89 3itv h VAL 403 Cb 0.55 0.25 -0.03 0.00 -1.52 0.00 0.00 31.29 30.54 3itv h VAL 403 CO -0.50 0.32 0.30 0.00 0.02 0.00 0.00 177.57 177.71 3itv h ALA 404 N 1.23 0.78 -0.48 1.67 0.00 -1.90 -0.39 119.26 120.17 3itv h ALA 404 Ca 0.28 -0.13 -0.12 0.00 0.00 0.00 0.00 54.91 54.94 3itv h ALA 404 Cb 0.16 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.69 3itv h ALA 404 CO -0.03 0.34 -0.16 1.15 0.00 0.00 0.00 179.25 180.55 3itv h THR 405 N 0.83 1.27 -0.27 0.00 2.02 -0.84 -1.16 112.91 114.75 3itv h THR 405 Ca 0.21 -1.29 0.02 0.00 0.77 0.00 0.00 66.41 66.11 3itv h THR 405 Cb 0.11 1.06 -0.02 0.00 -1.74 0.00 0.00 68.15 67.56 3itv h THR 405 CO -0.03 0.45 0.14 0.22 0.37 0.00 0.00 175.52 176.67 3itv h TYR 406 N 0.82 0.25 -0.40 3.16 3.20 -0.39 -1.12 116.97 122.49 3itv h TYR 406 Ca 0.12 0.01 -0.10 0.00 3.14 0.00 0.00 58.73 61.90 3itv h TYR 406 Cb 0.70 -0.08 -0.02 0.00 1.54 0.00 0.00 36.73 38.88 3itv h TYR 406 CO 0.04 0.14 -0.16 0.00 -1.64 0.00 0.00 178.16 176.55 3itv h ARG 407 N 0.29 0.74 0.00 1.82 3.08 -0.91 -2.74 114.38 116.66 3itv h ARG 407 Ca 0.11 -0.27 -0.07 0.00 0.07 0.00 0.00 59.98 59.83 3itv h ARG 407 Cb 0.03 -0.05 -0.01 0.00 0.08 0.00 0.00 29.97 30.01 3itv h ARG 407 CO -0.07 0.86 -0.32 0.00 -1.07 0.00 0.00 179.97 179.37 3itv h ALA 408 N 1.16 1.38 0.00 0.04 0.00 -0.87 -2.79 119.26 118.18 3itv h ALA 408 Ca 0.11 -0.29 -0.06 0.00 0.00 0.00 0.00 54.91 54.66 3itv h ALA 408 Cb 0.64 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.37 3itv h ALA 408 CO 0.04 0.40 -0.30 0.66 0.00 0.00 0.00 179.25 180.06 3itv h SER 409 N 0.00 0.00 -0.84 0.00 4.64 -0.90 -3.47 113.55 112.98 3itv h SER 409 Ca -0.00 0.00 -0.20 0.00 -0.47 0.00 0.00 61.79 61.11 3itv h SER 409 Cb 0.60 0.00 -0.05 0.00 -0.31 0.00 0.00 62.40 62.64 3itv h SER 409 CO 0.04 0.30 -0.21 0.61 -0.87 0.00 0.00 176.83 176.70 3itv n GLY 410 N 0.32 0.71 0.27 -0.77 0.00 -1.05 -4.93 105.19 99.73 3itv n GLY 410 Ca 0.00 -0.53 -0.00 0.00 0.00 0.00 0.00 46.02 45.49 3itv n GLY 410 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 3itv h TYR 411 N 0.00 0.69 -0.68 1.61 3.20 -1.86 -1.45 116.97 118.48 3itv h TYR 411 Ca -0.22 0.03 0.02 0.00 3.14 0.00 0.00 58.73 61.70 3itv h TYR 411 Cb 0.85 -0.21 -0.04 0.00 1.54 0.00 0.00 36.73 38.88 3itv h TYR 411 CO 0.28 0.30 0.43 -0.09 -1.64 0.00 0.00 178.16 177.44 3itv h ARG 412 N 0.67 0.84 -0.25 1.82 9.65 -1.91 -1.13 114.38 124.07 3itv h ARG 412 Ca 0.32 -0.05 -0.08 0.00 -1.10 0.00 0.00 59.98 59.07 3itv h ARG 412 Cb 0.25 -0.19 -0.01 0.00 -1.39 0.00 0.00 29.97 28.63 3itv h ARG 412 CO -0.21 0.55 -0.20 0.00 2.80 0.00 0.00 179.97 182.91 3itv h ALA 413 N 1.27 1.20 0.15 2.80 0.00 -1.85 -1.19 119.26 121.65 3itv h ALA 413 Ca 0.26 -0.30 -0.01 0.00 0.00 0.00 0.00 54.91 54.86 3itv h ALA 413 Cb -0.03 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 17.64 3itv h ALA 413 CO -0.09 0.52 -0.07 -0.09 0.00 0.00 0.00 179.25 179.52 3itv h ARG 414 N 0.41 -0.20 0.00 0.00 2.43 -0.31 -2.52 114.38 114.19 3itv h ARG 414 Ca 0.07 0.01 -0.03 0.00 -0.81 0.00 0.00 59.98 59.22 3itv h ARG 414 Cb 0.58 0.05 -0.00 0.00 -0.42 0.00 0.00 29.97 30.17 3itv h ARG 414 CO 0.04 -0.02 -0.15 -0.39 -1.51 0.00 0.00 179.97 177.93 3itv h VAL 415 N -0.34 0.36 -0.18 0.20 -1.51 -1.16 -2.61 116.25 111.01 3itv h VAL 415 Ca -0.02 -0.95 -0.08 0.00 -1.23 0.00 0.00 66.70 64.42 3itv h VAL 415 Cb 0.27 1.72 -0.01 0.00 -2.13 0.00 0.00 31.29 31.13 3itv h VAL 415 CO 0.03 0.15 -0.23 0.00 -1.23 0.00 0.00 177.57 176.30 3itv h ALA 416 N 1.85 1.28 0.02 5.19 0.00 -0.97 0.13 119.26 126.75 3itv h ALA 416 Ca -0.00 -0.30 -0.20 0.00 0.00 0.00 0.00 54.91 54.41 3itv h ALA 416 Cb 0.70 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.37 3itv h ALA 416 CO 0.02 0.48 -0.94 0.00 0.00 0.00 0.00 179.25 178.81 3itv h ALA 417 N 1.47 0.46 0.00 0.00 0.00 -1.09 -3.28 119.26 116.83 3itv h ALA 417 Ca 0.05 -0.80 -0.05 0.00 0.00 0.00 0.00 54.91 54.10 3itv h ALA 417 Cb 0.57 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.24 3itv h ALA 417 CO 0.04 1.06 -0.58 0.93 0.00 0.00 0.00 179.25 180.70 3itv h GLU 418 N 0.04 0.00 -4.93 0.00 5.08 -1.20 -3.44 114.58 110.13 3itv h GLU 418 Ca -0.03 0.00 -0.67 0.00 -1.00 0.00 0.00 59.36 57.66 3itv h GLU 418 Cb 1.62 0.00 -0.35 0.00 0.50 0.00 0.00 28.75 30.52 3itv h GLU 418 CO 0.13 0.17 -0.80 1.03 -1.00 0.00 0.00 179.01 178.54 3itv s ARG 419 N -3.14 2.61 0.22 2.33 0.52 0.42 -5.09 118.95 116.82 3itv s ARG 419 Ca 0.03 -1.11 -0.30 0.00 -0.52 0.00 0.00 55.73 53.83 3itv s ARG 419 Cb 0.07 -2.83 -0.09 0.00 0.52 0.00 0.00 34.95 32.62 3itv s ARG 419 CO 0.74 -0.43 1.31 -2.14 0.02 0.00 0.00 175.30 174.81 3itv s PRO 420 N 1.21 4.38 0.59 3.54 0.02 -1.26 -4.44 135.00 139.04 3itv s PRO 420 Ca -0.03 2.09 -0.03 0.00 0.02 0.00 0.00 61.00 63.05 3itv s PRO 420 Cb -0.17 -3.17 0.03 0.00 0.02 0.00 0.00 34.50 31.20 3itv s PRO 420 CO -0.07 -0.24 0.86 0.00 -0.33 0.00 0.00 177.00 177.21 3itv s ALA 421 N -0.08 3.51 0.33 -1.55 0.00 -1.26 -4.94 121.76 117.77 3itv s ALA 421 Ca 0.56 -1.00 0.01 0.00 0.00 0.00 0.00 51.96 51.53 3itv s ALA 421 Cb -0.37 -2.37 0.56 0.00 0.00 0.00 0.00 23.12 20.94 3itv s ALA 421 CO 0.40 -0.85 1.98 0.77 0.00 0.00 0.00 175.76 178.07 3itv h SER 422 N -0.12 0.82 0.00 0.00 0.02 -1.97 -3.53 113.55 108.77 3itv h SER 422 Ca -0.44 -0.02 0.00 0.00 -0.84 0.00 0.00 61.79 60.49 3itv h SER 422 Cb 1.28 -0.20 0.00 0.00 0.14 0.00 0.00 62.40 63.62 3itv h SER 422 CO 0.58 0.58 0.00 1.33 -1.14 0.00 0.00 176.83 178.18