#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3itl s PHE 4 N 0.00 0.92 0.41 -0.32 0.08 -1.26 -4.94 117.98 112.87 3itl s PHE 4 Ca 0.00 -1.51 0.17 0.00 0.12 0.00 0.00 56.93 55.71 3itl s PHE 4 Cb 0.00 -1.17 1.06 0.00 -0.57 0.00 0.00 43.02 42.34 3itl s PHE 4 CO 0.00 -0.83 1.84 0.00 -0.10 0.00 0.00 175.22 176.13 3itl h ARG 5 N 7.61 0.42 -5.12 0.44 2.47 -1.93 -3.37 114.38 114.90 3itl h ARG 5 Ca -0.07 -0.03 -0.65 0.00 -1.26 0.00 0.00 59.98 57.98 3itl h ARG 5 Cb 0.98 -0.10 -0.24 0.00 -1.65 0.00 0.00 29.97 28.97 3itl h ARG 5 CO 0.38 0.28 -0.69 0.42 0.56 0.00 0.00 179.97 180.93 3itl s ILE 6 N -5.47 3.72 0.17 2.04 -1.09 -1.26 -5.02 121.20 114.28 3itl s ILE 6 Ca -0.08 -0.40 -0.34 0.00 -2.23 0.00 0.00 60.65 57.60 3itl s ILE 6 Cb 0.23 -2.67 -0.15 0.00 -1.58 0.00 0.00 42.46 38.30 3itl s ILE 6 CO 0.79 0.44 1.40 0.00 -1.23 0.00 0.00 174.94 176.34 3itl n ALA 7 N 4.25 0.37 0.02 9.38 0.00 -1.26 -4.87 120.51 128.40 3itl n ALA 7 Ca -0.17 0.46 0.04 0.00 0.00 0.00 0.00 53.44 53.76 3itl n ALA 7 Cb 0.52 -2.21 0.42 0.00 0.00 0.00 0.00 19.45 18.18 3itl n ALA 7 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.50 179.46 3itl h GLN 8 N 4.70 0.49 -0.35 0.00 4.20 -1.98 -2.09 115.11 120.09 3itl h GLN 8 Ca -0.45 -0.04 -0.05 0.00 0.06 0.00 0.00 58.65 58.16 3itl h GLN 8 Cb 1.29 -0.10 -0.02 0.00 0.30 0.00 0.00 27.48 28.95 3itl h GLN 8 CO 0.79 0.36 -0.00 0.38 -0.67 0.00 0.00 178.83 179.69 3itl h ASP 9 N 0.50 0.51 -0.31 1.46 2.03 -1.99 -0.03 116.42 118.58 3itl h ASP 9 Ca 0.13 -0.10 -0.13 0.00 -0.73 0.00 0.00 57.03 56.20 3itl h ASP 9 Cb 0.01 -0.13 -0.01 0.00 -0.83 0.00 0.00 39.33 38.37 3itl h ASP 9 CO -0.02 0.59 -0.29 0.58 -1.03 0.00 0.00 179.24 179.06 3itl h VAL 10 N 0.52 1.29 -0.16 4.15 2.07 -1.75 0.03 116.25 122.40 3itl h VAL 10 Ca 0.11 -1.46 -0.01 0.00 0.82 0.00 0.00 66.70 66.16 3itl h VAL 10 Cb 0.35 1.52 -0.01 0.00 -1.52 0.00 0.00 31.29 31.63 3itl h VAL 10 CO 0.01 0.47 0.06 0.58 0.02 0.00 0.00 177.57 178.72 3itl h VAL 11 N 0.52 1.16 -0.50 2.57 2.07 -1.16 -0.15 116.25 120.76 3itl h VAL 11 Ca 0.05 -0.49 -0.01 0.00 0.82 0.00 0.00 66.70 67.08 3itl h VAL 11 Cb 0.87 1.18 -0.02 0.00 -1.52 0.00 0.00 31.29 31.79 3itl h VAL 11 CO 0.07 0.15 0.29 0.00 0.02 0.00 0.00 177.57 178.11 3itl h ALA 12 N 0.90 0.63 0.41 1.67 0.00 -0.99 -0.84 119.26 121.04 3itl h ALA 12 Ca 0.05 -0.07 -0.01 0.00 0.00 0.00 0.00 54.91 54.88 3itl h ALA 12 Cb 0.18 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.76 3itl h ALA 12 CO -0.00 0.13 -0.27 -0.09 0.00 0.00 0.00 179.25 179.02 3itl h ARG 13 N 0.66 -0.63 0.00 0.00 2.43 -0.80 -0.81 114.38 115.23 3itl h ARG 13 Ca 0.18 0.04 -0.00 0.00 -0.81 0.00 0.00 59.98 59.39 3itl h ARG 13 Cb 0.01 0.14 -0.00 0.00 -0.42 0.00 0.00 29.97 29.71 3itl h ARG 13 CO -0.03 -0.42 -0.01 0.93 -1.51 0.00 0.00 179.97 178.92 3itl h GLU 14 N -0.66 0.00 0.08 0.20 4.39 -0.91 -2.00 114.58 115.68 3itl h GLU 14 Ca -0.04 0.00 -0.12 0.00 0.34 0.00 0.00 59.36 59.54 3itl h GLU 14 Cb 0.55 0.00 0.01 0.00 -0.10 0.00 0.00 28.75 29.21 3itl h GLU 14 CO 0.03 0.01 -0.55 -0.91 -1.16 0.00 0.00 179.01 176.43 3itl h ASN 15 N 0.00 0.26 -0.62 1.42 -0.26 -0.79 -3.29 115.58 112.30 3itl h ASN 15 Ca -0.00 -0.95 0.00 0.00 -0.56 0.00 0.00 56.30 54.79 3itl h ASN 15 Cb 0.31 -0.08 -0.03 0.00 -1.06 0.00 0.00 38.32 37.45 3itl h ASN 15 CO 0.00 1.26 0.40 0.44 -1.06 0.00 0.00 177.43 178.47 3itl h ASP 16 N -0.64 0.73 0.15 5.81 3.32 -0.92 0.97 116.42 125.84 3itl h ASP 16 Ca -0.10 -0.03 -0.01 0.00 0.02 0.00 0.00 57.03 56.91 3itl h ASP 16 Cb 1.38 -0.18 -0.00 0.00 0.22 0.00 0.00 39.33 40.75 3itl h ASP 16 CO 0.07 0.54 -0.06 -0.09 -1.72 0.00 0.00 179.24 177.98 3itl h ARG 17 N 0.85 0.00 -0.03 3.56 2.43 -1.47 -2.81 114.38 116.91 3itl h ARG 17 Ca 0.23 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.40 3itl h ARG 17 Cb -0.07 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.48 3itl h ARG 17 CO -0.05 0.06 0.00 0.54 -1.51 0.00 0.00 179.97 179.02 3itl n ARG 18 N -3.87 0.29 -0.18 0.20 1.74 -0.62 -4.75 116.66 109.47 3itl n ARG 18 Ca -0.03 -1.00 -0.07 0.00 -0.77 0.00 0.00 57.85 55.99 3itl n ARG 18 Cb 0.16 -1.12 0.03 0.00 -1.02 0.00 0.00 32.46 30.50 3itl n ARG 18 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3itl h ALA 19 N 1.21 0.67 -0.09 7.54 0.00 -0.57 -2.16 119.26 125.86 3itl h ALA 19 Ca 0.00 -0.03 0.01 0.00 0.00 0.00 0.00 54.91 54.89 3itl h ALA 19 Cb 0.31 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.89 3itl h ALA 19 CO 0.00 0.09 0.01 1.03 0.00 0.00 0.00 179.25 180.38 3itl h SER 20 N 0.70 -0.02 -0.59 0.00 0.87 -1.85 -0.36 113.55 112.30 3itl h SER 20 Ca 0.20 0.02 -0.02 0.00 -1.23 0.00 0.00 61.79 60.75 3itl h SER 20 Cb -0.06 0.03 -0.03 0.00 -0.44 0.00 0.00 62.40 61.90 3itl h SER 20 CO -0.05 0.00 0.27 0.00 -0.53 0.00 0.00 176.83 176.53 3itl h ALA 21 N 1.07 0.76 -0.50 6.23 0.00 -1.89 -2.37 119.26 122.57 3itl h ALA 21 Ca 0.04 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.81 3itl h ALA 21 Cb 0.04 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.58 3itl h ALA 21 CO -0.06 0.33 0.31 1.25 0.00 0.00 0.00 179.25 181.08 3itl h LEU 22 N 0.80 0.58 -0.74 0.00 5.85 -1.11 -0.36 115.31 120.33 3itl h LEU 22 Ca 0.20 -0.04 0.04 0.00 0.84 0.00 0.00 57.88 58.93 3itl h LEU 22 Cb 0.14 -0.15 -0.05 0.00 0.37 0.00 0.00 40.66 40.97 3itl h LEU 22 CO -0.02 0.45 0.45 0.50 -0.34 0.00 0.00 178.44 179.48 3itl h LYS 23 N 0.67 0.84 -0.23 1.25 3.64 -0.87 0.38 116.57 122.25 3itl h LYS 23 Ca 0.18 -0.05 -0.02 0.00 -1.27 0.00 0.00 60.65 59.49 3itl h LYS 23 Cb -0.04 -0.19 -0.01 0.00 -0.41 0.00 0.00 32.23 31.58 3itl h LYS 23 CO -0.04 0.55 0.08 0.93 -2.27 0.00 0.00 179.45 178.71 3itl h GLU 24 N 0.86 0.36 -0.36 1.90 4.39 -0.89 -0.85 114.58 119.98 3itl h GLU 24 Ca 0.31 -0.07 -0.13 0.00 0.34 0.00 0.00 59.36 59.81 3itl h GLU 24 Cb 0.09 -0.05 -0.01 0.00 -0.10 0.00 0.00 28.75 28.67 3itl h GLU 24 CO -0.14 0.42 -0.31 -0.44 -1.16 0.00 0.00 179.01 177.38 3itl h ASP 25 N 0.22 0.83 -0.46 1.42 3.32 -0.61 -1.74 116.42 119.39 3itl h ASP 25 Ca 0.08 -0.34 -0.10 0.00 0.02 0.00 0.00 57.03 56.69 3itl h ASP 25 Cb 0.21 -0.23 -0.01 0.00 0.22 0.00 0.00 39.33 39.51 3itl h ASP 25 CO -0.00 1.07 -0.09 0.22 -1.72 0.00 0.00 179.24 178.72 3itl h TYR 26 N 0.67 0.98 -0.48 4.55 3.20 -0.18 -1.09 116.97 124.62 3itl h TYR 26 Ca 0.07 -0.20 -0.12 0.00 3.14 0.00 0.00 58.73 61.62 3itl h TYR 26 Cb 0.85 -0.24 -0.02 0.00 1.54 0.00 0.00 36.73 38.86 3itl h TYR 26 CO 0.05 0.96 -0.16 0.93 -1.64 0.00 0.00 178.16 178.30 3itl h GLU 27 N 0.72 0.93 -0.34 1.82 5.08 -1.09 0.53 114.58 122.23 3itl h GLU 27 Ca 0.12 -0.36 -0.04 0.00 -1.00 0.00 0.00 59.36 58.08 3itl h GLU 27 Cb 0.63 -0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.81 3itl h GLU 27 CO 0.04 1.02 0.06 0.00 -1.00 0.00 0.00 179.01 179.13 3itl h ALA 28 N 0.99 0.45 -0.61 3.43 0.00 -1.21 -1.12 119.26 121.20 3itl h ALA 28 Ca 0.12 -0.20 -0.09 0.00 0.00 0.00 0.00 54.91 54.74 3itl h ALA 28 Cb 0.70 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.34 3itl h ALA 28 CO 0.05 0.15 0.03 1.25 0.00 0.00 0.00 179.25 180.73 3itl h LEU 29 N 0.40 1.01 -1.03 0.00 5.85 -1.08 -1.63 115.31 118.83 3itl h LEU 29 Ca 0.10 -0.27 -0.01 0.00 0.84 0.00 0.00 57.88 58.54 3itl h LEU 29 Cb 0.35 -0.27 -0.04 0.00 0.37 0.00 0.00 40.66 41.06 3itl h LEU 29 CO 0.01 1.05 0.51 1.23 -0.34 0.00 0.00 178.44 180.90 3itl h GLY 30 N 1.01 1.26 1.06 3.75 0.00 -0.66 0.44 103.07 109.93 3itl h GLY 30 Ca 0.18 -0.53 -0.12 0.00 0.00 0.00 0.00 47.33 46.85 3itl h GLY 30 CO 0.03 0.51 -0.20 0.00 0.00 0.00 0.00 176.54 176.88 3itl h ALA 31 N 1.37 0.62 -0.39 3.60 0.00 -0.86 -0.91 119.26 122.68 3itl h ALA 31 Ca 0.31 -0.38 -0.04 0.00 0.00 0.00 0.00 54.91 54.81 3itl h ALA 31 Cb -0.04 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.59 3itl h ALA 31 CO -0.06 0.58 0.10 -0.97 0.00 0.00 0.00 179.25 178.91 3itl h ASN 32 N 0.74 0.59 -0.48 0.00 -0.73 -0.88 -2.07 115.58 112.75 3itl h ASN 32 Ca 0.10 -0.23 -0.06 0.00 1.87 0.00 0.00 56.30 57.98 3itl h ASN 32 Cb 0.76 -0.16 -0.02 0.00 0.27 0.00 0.00 38.32 39.17 3itl h ASN 32 CO 0.06 0.66 0.10 -0.07 -0.37 0.00 0.00 177.43 177.82 3itl h LEU 33 N 0.49 0.79 -0.68 0.34 3.38 -0.83 -2.41 115.31 116.39 3itl h LEU 33 Ca 0.12 -0.15 -0.02 0.00 0.09 0.00 0.00 57.88 57.92 3itl h LEU 33 Cb 0.30 -0.21 -0.03 0.00 0.09 0.00 0.00 40.66 40.81 3itl h LEU 33 CO 0.00 0.80 0.34 0.00 0.09 0.00 0.00 178.44 179.66 3itl h ALA 34 N 1.31 0.88 0.00 1.53 0.00 -0.92 0.18 119.26 122.23 3itl h ALA 34 Ca 0.17 -0.14 -0.01 0.00 0.00 0.00 0.00 54.91 54.94 3itl h ALA 34 Cb 0.34 -0.27 -0.00 0.00 0.00 0.00 0.00 17.79 17.86 3itl h ALA 34 CO 0.00 0.43 -0.03 0.00 0.00 0.00 0.00 179.25 179.65 3itl h ARG 35 N 0.94 0.00 -0.56 0.00 3.08 -0.93 -0.06 114.38 116.85 3itl h ARG 35 Ca 0.23 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.28 3itl h ARG 35 Cb 0.10 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.15 3itl h ARG 35 CO -0.03 0.03 0.00 0.54 -1.07 0.00 0.00 179.97 179.44 3itl n ARG 36 N -3.29 2.43 -1.70 0.04 1.74 0.10 -4.94 116.66 111.04 3itl n ARG 36 Ca -0.02 -2.21 -0.07 0.00 -0.77 0.00 0.00 57.85 54.78 3itl n ARG 36 Cb 0.16 -1.49 -0.02 0.00 -1.02 0.00 0.00 32.46 30.09 3itl n ARG 36 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3itl n GLY 37 N 1.49 0.48 3.24 -0.13 0.00 -0.04 -5.03 105.19 105.19 3itl n GLY 37 Ca 0.21 -0.66 -0.31 0.00 0.00 0.00 0.00 46.02 45.26 3itl n GLY 37 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3itl s VAL 38 N -2.31 1.95 -0.49 1.61 1.01 0.42 -4.99 120.40 117.60 3itl s VAL 38 Ca 0.00 -1.00 -0.20 0.00 0.00 0.00 0.00 61.98 60.78 3itl s VAL 38 Cb 0.00 -1.65 0.04 0.00 0.00 0.00 0.00 36.38 34.77 3itl s VAL 38 CO 0.00 0.54 0.65 -0.62 0.00 0.00 0.00 175.10 175.67 3itl s ASP 39 N -0.06 6.26 0.43 3.32 2.15 -1.26 -2.89 116.67 124.62 3itl s ASP 39 Ca -0.06 -0.69 0.18 0.00 0.43 0.00 0.00 52.55 52.42 3itl s ASP 39 Cb -0.14 -2.31 1.10 0.00 -0.30 0.00 0.00 42.92 41.27 3itl s ASP 39 CO 0.04 -0.88 1.87 -0.29 -0.17 0.00 0.00 175.17 175.75 3itl h ILE 40 N 5.87 0.70 -0.74 4.11 2.10 -1.92 0.20 117.51 127.83 3itl h ILE 40 Ca -0.27 -0.13 -0.02 0.00 1.08 0.00 0.00 64.86 65.53 3itl h ILE 40 Cb 1.09 0.29 -0.04 0.00 -1.09 0.00 0.00 36.82 37.07 3itl h ILE 40 CO 0.95 0.07 0.39 -0.08 -1.08 0.00 0.00 178.15 178.40 3itl h GLU 41 N 0.38 1.03 -0.45 2.19 4.57 -1.98 -0.25 114.58 120.07 3itl h GLU 41 Ca 0.44 -0.12 -0.07 0.00 -1.18 0.00 0.00 59.36 58.43 3itl h GLU 41 Cb 1.12 -0.20 -0.02 0.00 -0.16 0.00 0.00 28.75 29.49 3itl h GLU 41 CO -0.15 0.76 -0.01 0.00 -1.18 0.00 0.00 179.01 178.43 3itl h ALA 42 N 1.40 1.13 -0.08 2.92 0.00 -1.37 -0.79 119.26 122.47 3itl h ALA 42 Ca 0.26 -0.26 -0.04 0.00 0.00 0.00 0.00 54.91 54.87 3itl h ALA 42 Cb 0.04 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 17.65 3itl h ALA 42 CO -0.04 0.56 -0.11 0.28 0.00 0.00 0.00 179.25 179.93 3itl h VAL 43 N 0.70 1.39 -0.83 0.00 2.07 -1.20 -2.94 116.25 115.43 3itl h VAL 43 Ca 0.14 -1.34 0.01 0.00 0.82 0.00 0.00 66.70 66.33 3itl h VAL 43 Cb 0.45 2.09 -0.04 0.00 -1.52 0.00 0.00 31.29 32.27 3itl h VAL 43 CO 0.02 0.38 0.55 0.74 0.02 0.00 0.00 177.57 179.28 3itl h THR 44 N -0.23 1.20 -0.66 2.57 2.02 -0.94 -1.14 112.91 115.74 3itl h THR 44 Ca 0.01 -0.38 -0.02 0.00 0.77 0.00 0.00 66.41 66.79 3itl h THR 44 Cb 0.66 -0.01 -0.03 0.00 -1.74 0.00 0.00 68.15 67.03 3itl h THR 44 CO 0.03 0.20 0.33 0.00 0.37 0.00 0.00 175.52 176.45 3itl h ALA 45 N 1.49 1.35 0.10 6.16 0.00 -1.11 -1.74 119.26 125.51 3itl h ALA 45 Ca 0.31 -0.12 -0.27 0.00 0.00 0.00 0.00 54.91 54.83 3itl h ALA 45 Cb -0.11 -0.27 0.01 0.00 0.00 0.00 0.00 17.79 17.43 3itl h ALA 45 CO -0.07 0.52 -1.18 0.87 0.00 0.00 0.00 179.25 179.38 3itl h LYS 46 N 0.92 0.38 -0.87 0.00 1.57 -1.22 -3.29 116.57 114.06 3itl h LYS 46 Ca 0.23 -0.55 -0.03 0.00 -1.87 0.00 0.00 60.65 58.43 3itl h LYS 46 Cb 0.06 0.19 -0.04 0.00 0.08 0.00 0.00 32.23 32.52 3itl h LYS 46 CO -0.03 1.23 0.45 0.28 -0.57 0.00 0.00 179.45 180.80 3itl h VAL 47 N 0.15 1.26 0.00 0.50 2.07 -0.91 -1.89 116.25 117.43 3itl h VAL 47 Ca -0.14 -0.69 -0.01 0.00 0.82 0.00 0.00 66.70 66.68 3itl h VAL 47 Cb 1.87 0.11 -0.00 0.00 -1.52 0.00 0.00 31.29 31.75 3itl h VAL 47 CO 0.20 0.30 -0.03 -0.33 0.02 0.00 0.00 177.57 177.74 3itl h GLU 48 N 1.23 0.00 -0.29 1.57 5.08 -1.39 -2.06 114.58 118.73 3itl h GLU 48 Ca 0.30 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.66 3itl h GLU 48 Cb 0.08 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.33 3itl h GLU 48 CO -0.04 0.03 0.00 1.63 -1.00 0.00 0.00 179.01 179.62 3itl n LYS 49 N -3.64 2.34 -3.29 2.33 5.02 -0.73 -4.90 118.16 115.30 3itl n LYS 49 Ca -0.03 -2.02 -0.39 0.00 -2.02 0.00 0.00 58.31 53.86 3itl n LYS 49 Cb 0.12 -1.49 -0.08 0.00 -0.02 0.00 0.00 35.03 33.57 3itl n LYS 49 CO 0.00 0.00 0.00 0.12 -0.52 0.00 0.00 177.40 177.00 3itl s PHE 50 N -1.63 3.30 0.09 2.13 2.19 -0.78 -5.06 117.98 118.22 3itl s PHE 50 Ca 0.36 0.62 0.09 0.00 0.33 0.00 0.00 56.93 58.33 3itl s PHE 50 Cb 0.22 -2.65 -0.03 0.00 -1.31 0.00 0.00 43.02 39.24 3itl s PHE 50 CO 0.31 -0.19 -0.23 -0.06 1.83 0.00 0.00 175.22 176.87 3itl s PHE 51 N 1.97 1.98 -0.02 10.12 0.08 -1.26 -4.74 117.98 126.11 3itl s PHE 51 Ca 0.20 -0.40 0.01 0.00 0.12 0.00 0.00 56.93 56.87 3itl s PHE 51 Cb -0.15 -1.11 0.01 0.00 -0.57 0.00 0.00 43.02 41.20 3itl s PHE 51 CO 0.09 0.21 -0.04 0.54 -0.10 0.00 0.00 175.22 175.92 3itl s VAL 52 N -1.02 0.40 0.37 -0.44 0.11 -0.16 -4.72 120.40 114.93 3itl s VAL 52 Ca 0.09 -0.12 -0.25 0.00 -2.93 0.00 0.00 61.98 58.77 3itl s VAL 52 Cb -0.10 -0.41 -0.09 0.00 -1.53 0.00 0.00 36.38 34.25 3itl s VAL 52 CO 0.04 0.16 1.06 0.00 -3.33 0.00 0.00 175.10 173.04 3itl s ALA 53 N 0.51 3.16 -0.09 1.54 0.00 0.03 -4.19 121.76 122.73 3itl s ALA 53 Ca -0.06 0.76 -0.04 0.00 0.00 0.00 0.00 51.96 52.61 3itl s ALA 53 Cb -0.09 -3.29 -0.04 0.00 0.00 0.00 0.00 23.12 19.70 3itl s ALA 53 CO -0.00 -0.21 0.08 0.14 0.00 0.00 0.00 175.76 175.77 3itl s VAL 54 N -1.53 4.97 -0.01 0.00 -7.23 -0.77 -0.53 120.40 115.30 3itl s VAL 54 Ca 0.54 -0.05 -0.30 0.00 -1.81 0.00 0.00 61.98 60.37 3itl s VAL 54 Cb -0.25 -3.16 -0.03 0.00 0.56 0.00 0.00 36.38 33.51 3itl s VAL 54 CO 0.31 0.57 1.03 -2.16 -0.31 0.00 0.00 175.10 174.54 3itl s PRO 55 N -1.09 4.51 0.31 4.82 0.04 -1.25 -1.10 135.00 141.24 3itl s PRO 55 Ca 0.16 1.48 0.03 0.00 0.04 0.00 0.00 61.00 62.70 3itl s PRO 55 Cb -0.12 -3.46 0.61 0.00 0.04 0.00 0.00 34.50 31.57 3itl s PRO 55 CO 0.05 -0.15 1.87 0.66 0.04 0.00 0.00 177.00 179.47 3itl h SER 56 N 6.89 0.86 0.97 6.66 4.64 -1.67 0.44 113.55 132.34 3itl h SER 56 Ca -0.39 0.03 0.00 0.00 -0.47 0.00 0.00 61.79 60.96 3itl h SER 56 Cb 1.20 -0.14 0.00 0.00 -0.31 0.00 0.00 62.40 63.15 3itl h SER 56 CO 0.78 0.48 0.00 -2.67 -0.87 0.00 0.00 176.83 174.56 3itl n TRP 57 N -4.56 0.57 0.43 4.77 2.14 -1.26 -3.40 117.44 116.12 3itl n TRP 57 Ca 0.17 0.20 0.13 0.00 2.07 0.00 0.00 57.50 60.07 3itl n TRP 57 Cb 0.33 -0.82 0.46 0.00 -0.81 0.00 0.00 31.31 30.48 3itl n TRP 57 CO 0.00 0.00 0.00 0.78 2.07 0.00 0.00 177.69 180.54 3itl h GLY 58 N 3.46 0.00 -0.01 -1.67 0.00 -1.18 -3.09 103.07 100.58 3itl h GLY 58 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 3itl h GLY 58 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 176.54 179.87 3itl n VAL 59 N -2.49 0.02 -4.06 4.60 0.24 -1.22 -4.72 118.33 110.70 3itl n VAL 59 Ca 0.03 -0.17 -0.30 0.00 -2.04 0.00 0.00 64.34 61.86 3itl n VAL 59 Cb 0.34 0.16 -0.07 0.00 -1.47 0.00 0.00 33.84 32.80 3itl n VAL 59 CO 0.00 0.00 0.00 -0.83 -2.14 0.00 0.00 176.83 173.86 3itl s GLY 60 N -1.95 1.99 0.24 7.63 0.00 -1.17 -4.67 107.32 109.39 3itl s GLY 60 Ca 0.40 -1.04 -0.30 0.00 0.00 0.00 0.00 44.72 43.78 3itl s GLY 60 CO 0.34 -1.03 1.42 -1.59 0.00 0.00 0.00 173.10 172.24 3itl s THR 61 N -1.40 2.74 0.62 0.90 2.01 -1.26 -4.63 115.64 114.63 3itl s THR 61 Ca 0.29 0.62 0.08 0.00 0.31 0.00 0.00 61.69 62.99 3itl s THR 61 Cb -0.12 -3.40 0.11 0.00 0.01 0.00 0.00 72.50 69.10 3itl s THR 61 CO 0.21 0.10 0.86 -0.83 -0.69 0.00 0.00 174.62 174.27 3itl s GLY 62 N 0.38 1.71 0.25 4.40 0.00 -0.48 -4.92 107.32 108.65 3itl s GLY 62 Ca 0.59 -2.14 -0.06 0.00 0.00 0.00 0.00 44.72 43.11 3itl s GLY 62 CO 0.42 -1.62 0.43 0.61 0.00 0.00 0.00 173.10 172.95 3itl n GLY 63 N -2.42 1.84 3.57 0.20 0.00 -1.26 -4.32 105.19 102.79 3itl n GLY 63 Ca 0.17 -1.34 -0.29 0.00 0.00 0.00 0.00 46.02 44.56 3itl n GLY 63 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3itl n THR 64 N -0.37 0.00 0.37 2.61 -2.24 -0.65 -5.01 114.28 109.00 3itl n THR 64 Ca -0.03 -2.22 0.12 0.00 -2.27 0.00 0.00 64.05 59.65 3itl n THR 64 Cb 0.39 0.25 0.51 0.00 -2.10 0.00 0.00 70.33 69.39 3itl n THR 64 CO 0.00 0.00 0.00 0.08 -0.57 0.00 0.00 175.07 174.58 3itl h ARG 65 N 0.00 0.00 0.04 -0.78 0.11 -1.97 -3.03 114.38 108.75 3itl h ARG 65 Ca -0.38 0.00 -0.29 0.00 0.10 0.00 0.00 59.98 59.42 3itl h ARG 65 Cb 1.23 0.00 -0.03 0.00 1.11 0.00 0.00 29.97 32.28 3itl h ARG 65 CO 0.61 0.00 -1.55 0.74 0.10 0.00 0.00 179.97 179.88 3itl h PHE 66 N 0.00 0.17 -1.40 4.08 0.04 -1.92 -0.58 116.94 117.33 3itl h PHE 66 Ca 0.00 -0.12 0.30 0.00 2.80 0.00 0.00 57.97 60.95 3itl h PHE 66 Cb 0.35 -0.01 -0.15 0.00 2.20 0.00 0.00 35.95 38.34 3itl h PHE 66 CO 0.00 1.18 0.85 0.00 -0.60 0.00 0.00 178.31 179.73 3itl s ALA 67 N -2.62 -2.19 -0.03 2.45 0.00 -1.14 -3.84 121.76 114.39 3itl s ALA 67 Ca -0.06 1.16 0.01 0.00 0.00 0.00 0.00 51.96 53.07 3itl s ALA 67 Cb 0.08 0.10 0.02 0.00 0.00 0.00 0.00 23.12 23.32 3itl s ALA 67 CO 0.83 -0.84 -0.03 0.50 0.00 0.00 0.00 175.76 176.22 3itl s ARG 68 N -2.36 0.50 -0.65 0.00 3.52 -0.67 -1.64 118.95 117.64 3itl s ARG 68 Ca 0.12 -0.05 0.05 0.00 -0.13 0.00 0.00 55.73 55.72 3itl s ARG 68 Cb 0.02 -0.57 0.18 0.00 -1.56 0.00 0.00 34.95 33.03 3itl s ARG 68 CO -0.04 -0.05 0.51 1.19 -0.81 0.00 0.00 175.30 176.09 3itl n PHE 69 N 3.79 2.61 -1.81 5.12 3.72 -1.26 -2.52 117.46 127.11 3itl n PHE 69 Ca -0.23 -4.13 -0.37 0.00 -0.05 0.00 0.00 57.45 52.68 3itl n PHE 69 Cb 0.53 -0.48 0.06 0.00 -0.94 0.00 0.00 39.48 38.64 3itl n PHE 69 CO 0.00 0.00 0.00 -1.25 -0.05 0.00 0.00 176.76 175.46 3itl s PRO 70 N -1.38 2.65 0.00 -1.08 0.04 -1.26 -4.98 135.00 128.99 3itl s PRO 70 Ca 0.28 1.99 0.00 0.00 0.04 0.00 0.00 61.00 63.32 3itl s PRO 70 Cb 0.00 -1.87 0.00 0.00 0.04 0.00 0.00 34.50 32.67 3itl s PRO 70 CO -0.15 -1.50 0.00 0.41 0.04 0.00 0.00 177.00 175.80 3itl n GLY 71 N 0.78 1.04 3.90 0.56 0.00 -1.26 -4.92 105.19 105.29 3itl n GLY 71 Ca 0.15 -1.94 -0.28 0.00 0.00 0.00 0.00 46.02 43.95 3itl n GLY 71 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3itl s THR 72 N 0.99 4.92 -1.44 2.61 -4.23 -1.26 -4.30 115.64 112.93 3itl s THR 72 Ca 0.00 0.19 -0.08 0.00 -1.18 0.00 0.00 61.69 60.63 3itl s THR 72 Cb 0.00 -3.81 0.02 0.00 1.34 0.00 0.00 72.50 70.04 3itl s THR 72 CO 0.00 -0.65 0.97 0.61 -0.54 0.00 0.00 174.62 175.01 3itl n GLY 73 N -1.75 -0.54 3.76 3.99 0.00 -1.26 -4.76 105.19 104.63 3itl n GLY 73 Ca -0.00 0.21 -0.41 0.00 0.00 0.00 0.00 46.02 45.82 3itl n GLY 73 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3itl s GLU 74 N -6.13 4.33 0.34 1.61 0.41 -1.26 -4.72 118.70 113.28 3itl s GLU 74 Ca 0.50 2.24 -0.29 0.00 -0.41 0.00 0.00 54.97 57.01 3itl s GLU 74 Cb -0.22 -3.08 -0.10 0.00 -1.78 0.00 0.00 34.13 28.94 3itl s GLU 74 CO 0.62 -0.24 1.36 -1.25 -0.49 0.00 0.00 175.26 175.26 3itl s PRO 75 N -1.49 4.28 0.11 0.39 0.04 -1.26 -4.82 135.00 132.25 3itl s PRO 75 Ca 0.51 2.32 0.01 0.00 0.04 0.00 0.00 61.00 63.89 3itl s PRO 75 Cb -0.40 -3.04 -0.20 0.00 0.04 0.00 0.00 34.50 30.90 3itl s PRO 75 CO 0.51 -0.29 1.24 0.00 0.04 0.00 0.00 177.00 178.49 3itl h ARG 76 N 3.29 0.16 0.00 4.56 3.08 -1.93 -3.48 114.38 120.06 3itl h ARG 76 Ca -0.49 -0.25 0.00 0.00 0.07 0.00 0.00 59.98 59.30 3itl h ARG 76 Cb 1.23 0.09 0.00 0.00 0.08 0.00 0.00 29.97 31.37 3itl h ARG 76 CO 0.65 1.09 0.00 0.41 -1.07 0.00 0.00 179.97 181.05 3itl n GLY 77 N 1.33 2.15 0.36 0.04 0.00 -1.26 -5.03 105.19 102.78 3itl n GLY 77 Ca -0.04 -0.84 0.05 0.00 0.00 0.00 0.00 46.02 45.18 3itl n GLY 77 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 3itl h ILE 78 N 0.48 1.06 -0.50 -0.61 6.09 -1.90 -1.47 117.51 120.67 3itl h ILE 78 Ca 0.00 -0.31 -0.03 0.00 -1.37 0.00 0.00 64.86 63.15 3itl h ILE 78 Cb 0.00 0.07 -0.02 0.00 0.47 0.00 0.00 36.82 37.34 3itl h ILE 78 CO 0.00 0.17 0.19 -0.26 -3.07 0.00 0.00 178.15 175.17 3itl h PHE 79 N 0.91 0.77 -0.56 2.19 0.04 -1.96 0.13 116.94 118.46 3itl h PHE 79 Ca 0.34 -0.06 -0.09 0.00 2.80 0.00 0.00 57.97 60.96 3itl h PHE 79 Cb 0.18 -0.23 -0.02 0.00 2.20 0.00 0.00 35.95 38.08 3itl h PHE 79 CO -0.00 0.65 0.01 -0.44 -0.60 0.00 0.00 178.31 177.92 3itl h ASP 80 N 0.66 0.92 -0.62 2.17 3.32 -1.87 -2.30 116.42 118.70 3itl h ASP 80 Ca 0.16 -0.24 -0.01 0.00 0.02 0.00 0.00 57.03 56.96 3itl h ASP 80 Cb 0.21 -0.25 -0.03 0.00 0.22 0.00 0.00 39.33 39.49 3itl h ASP 80 CO -0.01 0.98 0.33 0.11 -1.72 0.00 0.00 179.24 178.93 3itl h LYS 81 N 0.88 0.87 -0.73 3.56 1.57 -0.72 -1.42 116.57 120.58 3itl h LYS 81 Ca 0.16 -0.10 -0.04 0.00 -1.87 0.00 0.00 60.65 58.79 3itl h LYS 81 Cb 0.51 -0.17 -0.03 0.00 0.08 0.00 0.00 32.23 32.62 3itl h LYS 81 CO 0.02 0.66 0.28 -0.07 -0.57 0.00 0.00 179.45 179.77 3itl h LEU 82 N 0.84 1.00 -0.74 2.94 3.38 -0.56 0.71 115.31 122.89 3itl h LEU 82 Ca 0.22 -0.16 0.01 0.00 0.09 0.00 0.00 57.88 58.04 3itl h LEU 82 Cb 0.05 -0.26 -0.04 0.00 0.09 0.00 0.00 40.66 40.50 3itl h LEU 82 CO -0.03 0.90 0.48 0.44 0.09 0.00 0.00 178.44 180.32 3itl h ASP 83 N 1.06 0.83 -0.30 -0.43 3.32 -0.86 -0.34 116.42 119.70 3itl h ASP 83 Ca 0.24 -0.02 -0.16 0.00 0.02 0.00 0.00 57.03 57.12 3itl h ASP 83 Cb 0.22 -0.20 -0.01 0.00 0.22 0.00 0.00 39.33 39.56 3itl h ASP 83 CO -0.02 0.60 -0.41 0.44 -1.72 0.00 0.00 179.24 178.13 3itl h ASP 84 N 0.98 0.92 -0.23 6.45 3.32 -0.65 -2.89 116.42 124.32 3itl h ASP 84 Ca 0.28 -0.43 -0.03 0.00 0.02 0.00 0.00 57.03 56.87 3itl h ASP 84 Cb -0.09 -0.26 -0.02 0.00 0.22 0.00 0.00 39.33 39.19 3itl h ASP 84 CO -0.07 1.21 0.07 0.00 -1.72 0.00 0.00 179.24 178.73 3itl h ALA 86 N 1.66 1.78 -0.32 0.00 0.00 -0.85 -1.79 119.26 119.74 3itl h ALA 86 Ca 0.10 -0.03 -0.06 0.00 0.00 0.00 0.00 54.91 54.92 3itl h ALA 86 Cb 0.17 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.83 3itl h ALA 86 CO -0.00 0.19 -0.05 0.28 0.00 0.00 0.00 179.25 179.67 3itl h VAL 87 N 0.37 1.27 -0.66 0.00 2.07 -1.29 -0.11 116.25 117.91 3itl h VAL 87 Ca 0.10 -1.07 0.02 0.00 0.82 0.00 0.00 66.70 66.56 3itl h VAL 87 Cb -0.02 1.32 -0.04 0.00 -1.52 0.00 0.00 31.29 31.03 3itl h VAL 87 CO -0.02 0.35 0.42 0.40 0.02 0.00 0.00 177.57 178.74 3itl h ILE 88 N 0.39 1.13 -0.38 4.57 2.04 -1.26 -1.55 117.51 122.45 3itl h ILE 88 Ca 0.08 -0.29 -0.11 0.00 1.00 0.00 0.00 64.86 65.54 3itl h ILE 88 Cb 0.53 0.20 -0.01 0.00 -0.74 0.00 0.00 36.82 36.81 3itl h ILE 88 CO 0.03 0.16 -0.19 -0.61 0.00 0.00 0.00 178.15 177.53 3itl h GLN 89 N 0.85 0.80 -0.72 2.37 5.75 -1.23 -1.13 115.11 121.81 3itl h GLN 89 Ca 0.25 -0.35 -0.01 0.00 -0.15 0.00 0.00 58.65 58.39 3itl h GLN 89 Cb -0.05 -0.02 -0.03 0.00 1.07 0.00 0.00 27.48 28.44 3itl h GLN 89 CO -0.07 0.98 0.42 0.37 -2.65 0.00 0.00 178.83 177.88 3itl h GLN 90 N 0.60 0.98 0.12 1.69 4.15 -0.69 0.50 115.11 122.48 3itl h GLN 90 Ca 0.08 -0.10 -0.29 0.00 0.77 0.00 0.00 58.65 59.11 3itl h GLN 90 Cb 0.74 -0.20 -0.00 0.00 0.21 0.00 0.00 27.48 28.23 3itl h GLN 90 CO 0.06 0.71 -1.40 -0.07 -1.93 0.00 0.00 178.83 176.20 3itl h LEU 91 N 0.98 0.41 0.00 -2.39 3.38 -1.29 -3.36 115.31 113.05 3itl h LEU 91 Ca 0.26 -0.50 -0.30 0.00 0.09 0.00 0.00 57.88 57.43 3itl h LEU 91 Cb -0.01 -0.13 -0.06 0.00 0.09 0.00 0.00 40.66 40.56 3itl h LEU 91 CO -0.05 1.40 -2.26 0.35 0.09 0.00 0.00 178.44 177.98 3itl n THR 92 N -3.49 1.15 -1.78 0.22 -2.24 -0.43 -1.38 114.28 106.33 3itl n THR 92 Ca -0.13 -0.79 -0.20 0.00 -2.27 0.00 0.00 64.05 60.66 3itl n THR 92 Cb 1.04 -0.41 -0.07 0.00 -2.10 0.00 0.00 70.33 68.78 3itl n THR 92 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 3itl n ARG 93 N -2.68 -1.51 0.00 -0.78 5.12 0.18 -4.77 116.66 112.22 3itl n ARG 93 Ca -0.26 1.14 0.03 0.00 -1.93 0.00 0.00 57.85 56.82 3itl n ARG 93 Cb 1.04 -5.58 0.02 0.00 -1.16 0.00 0.00 32.46 26.78 3itl n ARG 93 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 3itl n ALA 94 N 0.49 2.50 -3.08 7.54 0.00 -1.26 -4.79 120.51 121.90 3itl n ALA 94 Ca -0.21 -0.51 -0.22 0.00 0.00 0.00 0.00 53.44 52.50 3itl n ALA 94 Cb 0.67 -0.17 -0.03 0.00 0.00 0.00 0.00 19.45 19.91 3itl n ALA 94 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 3itl n THR 95 N 0.18 1.27 0.32 0.00 -2.24 -1.26 -0.99 114.28 111.56 3itl n THR 95 Ca 0.03 -5.03 0.15 0.00 -2.27 0.00 0.00 64.05 56.93 3itl n THR 95 Cb 0.12 -0.76 0.64 0.00 -2.10 0.00 0.00 70.33 68.23 3itl n THR 95 CO 0.00 0.00 0.00 1.55 -0.57 0.00 0.00 175.07 176.05 3itl h PRO 96 N 2.99 0.00 -6.70 -0.78 0.13 -1.87 -3.40 132.00 122.37 3itl h PRO 96 Ca 0.11 0.00 -0.69 0.00 -0.87 0.00 0.00 66.00 64.56 3itl h PRO 96 Cb 0.76 0.00 -0.22 0.00 0.13 0.00 0.00 31.00 31.67 3itl h PRO 96 CO 0.64 0.00 -0.83 -0.80 -0.23 0.00 0.00 178.00 176.78 3itl s ASN 97 N -4.83 3.63 -0.01 1.44 0.01 -1.26 0.25 114.94 114.16 3itl s ASN 97 Ca 0.02 -0.54 0.07 0.00 -0.71 0.00 0.00 52.86 51.69 3itl s ASN 97 Cb 0.09 -0.47 -0.02 0.00 0.41 0.00 0.00 41.25 41.26 3itl s ASN 97 CO 0.43 0.22 -0.23 -0.69 -1.51 0.00 0.00 177.10 175.32 3itl s VAL 98 N -0.98 2.31 -0.22 1.60 1.01 -0.05 -1.85 120.40 122.21 3itl s VAL 98 Ca 0.15 -1.09 -0.10 0.00 0.00 0.00 0.00 61.98 60.94 3itl s VAL 98 Cb -0.10 -1.85 -0.05 0.00 0.00 0.00 0.00 36.38 34.38 3itl s VAL 98 CO 0.06 0.53 0.15 -0.44 0.00 0.00 0.00 175.10 175.40 3itl s SER 99 N -0.79 6.15 0.20 3.32 0.01 -0.26 -0.67 113.70 121.66 3itl s SER 99 Ca 0.11 0.16 -0.02 0.00 1.31 0.00 0.00 55.95 57.51 3itl s SER 99 Cb -0.10 -2.10 -0.05 0.00 0.21 0.00 0.00 66.02 63.99 3itl s SER 99 CO 0.00 0.11 0.41 -0.76 0.41 0.00 0.00 173.24 173.41 3itl s LEU 100 N 0.77 4.21 -0.10 2.44 1.43 -1.25 -1.59 118.68 124.58 3itl s LEU 100 Ca 0.08 0.47 0.02 0.00 -1.03 0.00 0.00 54.13 53.67 3itl s LEU 100 Cb -0.12 -3.24 0.01 0.00 0.03 0.00 0.00 46.19 42.87 3itl s LEU 100 CO 0.02 -0.05 -0.16 -2.28 0.23 0.00 0.00 176.35 174.11 3itl s HIS 101 N -1.86 2.02 -0.06 0.29 2.46 -1.26 -1.10 115.29 115.78 3itl s HIS 101 Ca 0.40 -0.92 0.00 0.00 0.47 0.00 0.00 55.06 55.01 3itl s HIS 101 Cb -0.11 -1.44 -0.03 0.00 -0.13 0.00 0.00 32.58 30.87 3itl s HIS 101 CO 0.28 -0.45 -0.04 0.42 -2.47 0.00 0.00 174.74 172.49 3itl s ILE 102 N 0.85 3.96 -2.06 0.89 -1.09 -0.14 0.06 121.20 123.68 3itl s ILE 102 Ca -0.09 -0.46 0.16 0.00 -2.23 0.00 0.00 60.65 58.03 3itl s ILE 102 Cb -0.15 -2.67 0.42 0.00 -1.58 0.00 0.00 42.46 38.47 3itl s ILE 102 CO 0.00 0.54 1.54 -0.81 -1.23 0.00 0.00 174.94 174.99 3itl n PRO 103 N 1.99 1.21 -0.23 2.79 -0.04 -1.26 -2.09 135.00 137.38 3itl n PRO 103 Ca -0.17 -0.32 0.02 0.00 -0.04 0.00 0.00 63.50 62.98 3itl n PRO 103 Cb 0.53 -1.27 0.13 0.00 -0.04 0.00 0.00 33.50 32.86 3itl n PRO 103 CO 0.00 0.00 0.00 -1.49 -0.04 0.00 0.00 175.50 173.97 3itl h TRP 104 N 0.61 0.49 -0.61 0.54 6.55 -1.86 -2.55 115.95 119.13 3itl h TRP 104 Ca 0.00 0.03 0.00 0.00 0.95 0.00 0.00 58.89 59.87 3itl h TRP 104 Cb 0.14 -0.12 0.00 0.00 -0.86 0.00 0.00 29.16 28.32 3itl h TRP 104 CO 0.04 0.13 0.00 -0.25 -1.05 0.00 0.00 178.44 177.31 3itl n ASP 105 N -4.96 5.07 -4.72 -3.49 8.00 0.11 -4.71 116.55 111.85 3itl n ASP 105 Ca 0.11 -2.63 -0.42 0.00 0.71 0.00 0.00 54.79 52.55 3itl n ASP 105 Cb 0.30 -0.61 -0.02 0.00 -0.02 0.00 0.00 41.12 40.77 3itl n ASP 105 CO 0.00 0.00 0.00 1.17 -0.39 0.00 0.00 177.20 177.98 3itl n LYS 106 N 0.90 2.64 -3.72 -1.24 4.81 -0.96 -4.90 118.16 115.69 3itl n LYS 106 Ca 0.26 0.95 0.01 0.00 -0.87 0.00 0.00 58.31 58.66 3itl n LYS 106 Cb 0.99 -2.75 -0.00 0.00 0.02 0.00 0.00 35.03 33.30 3itl n LYS 106 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 3itl s ALA 107 N 0.58 -2.17 -0.14 3.14 0.00 -1.26 -5.01 121.76 116.89 3itl s ALA 107 Ca 0.70 0.44 -0.32 0.00 0.00 0.00 0.00 51.96 52.78 3itl s ALA 107 Cb -0.53 0.52 -0.09 0.00 0.00 0.00 0.00 23.12 23.02 3itl s ALA 107 CO 0.41 -1.07 2.05 -3.47 0.00 0.00 0.00 175.76 173.68 3itl n ASP 108 N -0.65 3.33 -0.33 0.00 2.03 -1.26 -4.84 116.55 114.83 3itl n ASP 108 Ca -0.06 0.64 0.13 0.00 0.52 0.00 0.00 54.79 56.02 3itl n ASP 108 Cb 0.62 -1.44 0.32 0.00 -0.72 0.00 0.00 41.12 39.89 3itl n ASP 108 CO 0.00 0.00 0.00 -0.65 -1.92 0.00 0.00 177.20 174.63 3itl h PRO 109 N 11.74 0.61 -0.54 -0.67 0.11 -1.95 -0.68 132.00 140.63 3itl h PRO 109 Ca -0.43 -0.04 0.01 0.00 0.11 0.00 0.00 66.00 65.65 3itl h PRO 109 Cb 1.26 -0.14 -0.03 0.00 0.11 0.00 0.00 31.00 32.21 3itl h PRO 109 CO 0.96 0.41 0.35 0.87 -0.21 0.00 0.00 178.00 180.38 3itl h LYS 110 N 0.63 0.70 -0.52 1.05 1.57 -1.88 -0.99 116.57 117.13 3itl h LYS 110 Ca 0.57 -0.04 -0.06 0.00 -1.87 0.00 0.00 60.65 59.25 3itl h LYS 110 Cb 0.96 -0.16 -0.02 0.00 0.08 0.00 0.00 32.23 33.10 3itl h LYS 110 CO -0.43 0.46 0.10 0.93 -0.57 0.00 0.00 179.45 179.94 3itl h GLU 111 N 0.72 0.86 -0.36 3.15 5.08 -1.54 0.60 114.58 123.09 3itl h GLU 111 Ca 0.20 -0.22 0.02 0.00 -1.00 0.00 0.00 59.36 58.36 3itl h GLU 111 Cb -0.07 -0.10 -0.03 0.00 0.50 0.00 0.00 28.75 29.05 3itl h GLU 111 CO -0.05 0.83 0.19 -0.07 -1.00 0.00 0.00 179.01 178.92 3itl h LEU 112 N 0.74 0.30 -0.65 1.33 3.38 -0.98 0.21 115.31 119.63 3itl h LEU 112 Ca 0.16 0.01 -0.09 0.00 0.09 0.00 0.00 57.88 58.05 3itl h LEU 112 Cb 0.38 -0.05 -0.02 0.00 0.09 0.00 0.00 40.66 41.06 3itl h LEU 112 CO 0.01 0.22 0.07 0.50 0.09 0.00 0.00 178.44 179.33 3itl h LYS 113 N 0.40 1.11 -0.50 1.13 1.63 -1.01 -0.64 116.57 118.69 3itl h LYS 113 Ca 0.15 -0.32 -0.05 0.00 -0.85 0.00 0.00 60.65 59.58 3itl h LYS 113 Cb 0.04 -0.12 -0.02 0.00 -0.60 0.00 0.00 32.23 31.53 3itl h LYS 113 CO -0.09 1.03 0.10 0.00 -3.45 0.00 0.00 179.45 177.05 3itl h ALA 114 N 1.03 0.66 -0.18 5.00 0.00 -0.34 -0.42 119.26 125.00 3itl h ALA 114 Ca 0.19 -0.22 -0.14 0.00 0.00 0.00 0.00 54.91 54.74 3itl h ALA 114 Cb 0.49 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.08 3itl h ALA 114 CO 0.02 0.37 -0.47 -0.09 0.00 0.00 0.00 179.25 179.08 3itl h ARG 115 N 0.69 0.45 -0.15 0.00 9.65 -0.47 -1.95 114.38 122.61 3itl h ARG 115 Ca 0.15 -0.25 -0.03 0.00 -1.10 0.00 0.00 59.98 58.76 3itl h ARG 115 Cb 0.36 0.02 -0.01 0.00 -1.39 0.00 0.00 29.97 28.95 3itl h ARG 115 CO 0.01 0.83 -0.01 0.78 2.80 0.00 0.00 179.97 184.38 3itl h GLY 116 N 1.15 0.28 1.02 2.80 0.00 -0.87 -1.67 103.07 105.79 3itl h GLY 116 Ca 0.02 -0.22 -0.01 0.00 0.00 0.00 0.00 47.33 47.12 3itl h GLY 116 CO 0.08 0.20 0.50 -0.55 0.00 0.00 0.00 176.54 176.78 3itl h ASP 117 N -0.01 1.07 -0.02 0.19 3.32 -1.04 0.31 116.42 120.24 3itl h ASP 117 Ca 0.04 -0.08 -0.06 0.00 0.02 0.00 0.00 57.03 56.95 3itl h ASP 117 Cb 0.40 -0.27 -0.01 0.00 0.22 0.00 0.00 39.33 39.66 3itl h ASP 117 CO 0.01 0.84 -0.15 0.00 -1.72 0.00 0.00 179.24 178.22 3itl h ALA 118 N 1.27 1.39 -0.00 3.45 0.00 -1.26 -2.72 119.26 121.38 3itl h ALA 118 Ca 0.31 -0.24 0.00 0.00 0.00 0.00 0.00 54.91 54.98 3itl h ALA 118 Cb -0.01 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.67 3itl h ALA 118 CO -0.05 0.42 -0.47 1.28 0.00 0.00 0.00 179.25 180.43 3itl n LEU 119 N -4.23 0.83 -0.33 0.00 4.77 -0.64 -3.42 117.00 113.98 3itl n LEU 119 Ca -0.00 -0.19 -0.01 0.00 -0.03 0.00 0.00 56.01 55.78 3itl n LEU 119 Cb 0.30 -0.16 0.00 0.00 -2.33 0.00 0.00 43.42 41.23 3itl n LEU 119 CO 0.39 0.18 -0.00 0.61 -1.33 0.00 0.00 177.39 177.23 3itl n GLY 120 N 1.44 0.52 3.33 -0.72 0.00 0.26 -4.92 105.19 105.11 3itl n GLY 120 Ca 0.08 -0.76 -0.29 0.00 0.00 0.00 0.00 46.02 45.04 3itl n GLY 120 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3itl s LEU 121 N -0.70 2.18 0.00 0.99 1.43 0.83 -4.89 118.68 118.52 3itl s LEU 121 Ca 0.01 -0.59 0.03 0.00 -1.03 0.00 0.00 54.13 52.55 3itl s LEU 121 Cb -0.01 -1.23 0.03 0.00 0.03 0.00 0.00 46.19 45.02 3itl s LEU 121 CO 0.01 0.24 0.26 0.61 0.23 0.00 0.00 176.35 177.70 3itl n GLY 122 N 1.72 2.94 3.17 -3.19 0.00 0.14 -3.96 105.19 106.01 3itl n GLY 122 Ca -0.17 -2.27 -0.30 0.00 0.00 0.00 0.00 46.02 43.28 3itl n GLY 122 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3itl s PHE 123 N -1.97 2.22 0.00 1.61 0.08 -1.26 -0.87 117.98 117.78 3itl s PHE 123 Ca 0.19 -0.87 0.00 0.00 0.12 0.00 0.00 56.93 56.38 3itl s PHE 123 Cb -0.02 -1.51 0.00 0.00 -0.57 0.00 0.00 43.02 40.93 3itl s PHE 123 CO 0.12 -0.36 0.00 -3.47 -0.10 0.00 0.00 175.22 171.41 3itl n ASP 124 N 3.55 0.00 -4.70 1.36 -0.08 0.15 -4.23 116.55 112.60 3itl n ASP 124 Ca -0.20 0.00 -0.43 0.00 -1.51 0.00 0.00 54.79 52.65 3itl n ASP 124 Cb 0.53 0.00 -0.01 0.00 2.34 0.00 0.00 41.12 43.98 3itl n ASP 124 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 3itl n ALA 125 N -3.00 1.32 -1.79 -1.67 0.00 -1.26 -4.56 120.51 109.55 3itl n ALA 125 Ca 0.00 0.37 -0.33 0.00 0.00 0.00 0.00 53.44 53.48 3itl n ALA 125 Cb 0.00 -2.26 -0.03 0.00 0.00 0.00 0.00 19.45 17.16 3itl n ALA 125 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 177.50 175.86 3itl s MET 126 N -1.75 3.79 -0.12 0.00 -1.94 0.11 -3.83 119.30 115.57 3itl s MET 126 Ca 0.56 1.09 0.01 0.00 -1.71 0.00 0.00 55.69 55.65 3itl s MET 126 Cb -0.57 -2.11 0.02 0.00 2.01 0.00 0.00 34.83 34.18 3itl s MET 126 CO 0.61 -0.41 -0.13 -0.80 -0.01 0.00 0.00 175.02 174.28 3itl s ASN 127 N -2.75 2.42 0.39 3.03 0.01 -0.26 -0.21 114.94 117.57 3itl s ASN 127 Ca 0.62 -0.41 -0.06 0.00 -0.71 0.00 0.00 52.86 52.30 3itl s ASN 127 Cb -0.12 -1.05 -0.05 0.00 0.41 0.00 0.00 41.25 40.44 3itl s ASN 127 CO 0.29 -0.03 0.68 -0.94 -1.51 0.00 0.00 177.10 175.59 3itl s SER 128 N 1.26 6.39 -0.34 -1.22 1.04 -1.17 -0.96 113.70 118.69 3itl s SER 128 Ca -0.01 0.85 -0.00 0.00 0.48 0.00 0.00 55.95 57.27 3itl s SER 128 Cb -0.14 -2.21 0.11 0.00 0.10 0.00 0.00 66.02 63.89 3itl s SER 128 CO -0.05 -0.38 0.15 0.21 0.98 0.00 0.00 173.24 174.14 3itl s ASN 129 N -3.58 3.81 -0.21 7.02 3.84 -0.89 -4.66 114.94 120.27 3itl s ASN 129 Ca 0.46 -1.92 0.13 0.00 0.21 0.00 0.00 52.86 51.75 3itl s ASN 129 Cb -0.10 -0.83 0.45 0.00 -0.55 0.00 0.00 41.25 40.21 3itl s ASN 129 CO 0.36 -0.37 1.19 0.35 -2.79 0.00 0.00 177.10 175.84 3itl n THR 130 N 4.47 1.89 -0.25 -5.21 -2.24 -1.26 -4.61 114.28 107.07 3itl n THR 130 Ca 0.02 -3.22 0.04 0.00 -2.27 0.00 0.00 64.05 58.61 3itl n THR 130 Cb 0.40 -0.19 0.09 0.00 -2.10 0.00 0.00 70.33 68.53 3itl n THR 130 CO 0.00 0.00 0.00 2.22 -0.57 0.00 0.00 175.07 176.72 3itl n PHE 131 N -0.69 0.25 -3.55 4.78 1.16 -1.26 -4.57 117.46 113.57 3itl n PHE 131 Ca 0.24 -0.58 -0.13 0.00 -1.87 0.00 0.00 57.45 55.11 3itl n PHE 131 Cb 0.86 -0.07 -0.05 0.00 -1.61 0.00 0.00 39.48 38.62 3itl n PHE 131 CO 0.00 0.00 0.00 -1.54 -1.87 0.00 0.00 176.76 173.35 3itl s SER 132 N -1.26 -0.43 -0.12 5.98 1.04 -1.26 -4.92 113.70 112.72 3itl s SER 132 Ca 0.15 0.06 -0.09 0.00 0.48 0.00 0.00 55.95 56.55 3itl s SER 132 Cb 0.10 0.51 -0.04 0.00 0.10 0.00 0.00 66.02 66.69 3itl s SER 132 CO 0.07 -0.79 0.19 -1.81 0.98 0.00 0.00 173.24 171.87 3itl s ASP 133 N -2.26 6.42 0.19 7.02 1.01 -1.26 -4.84 116.67 122.95 3itl s ASP 133 Ca -0.03 0.50 0.05 0.00 0.71 0.00 0.00 52.55 53.78 3itl s ASP 133 Cb -0.00 -2.11 -0.04 0.00 1.01 0.00 0.00 42.92 41.78 3itl s ASP 133 CO -0.06 0.33 0.21 0.00 0.21 0.00 0.00 175.17 175.86 3itl s ALA 134 N -0.67 3.69 0.30 5.23 0.00 -1.26 -5.06 121.76 123.99 3itl s ALA 134 Ca 0.15 -1.24 -0.29 0.00 0.00 0.00 0.00 51.96 50.58 3itl s ALA 134 Cb -0.13 -1.46 -0.13 0.00 0.00 0.00 0.00 23.12 21.40 3itl s ALA 134 CO 0.04 0.41 1.32 -2.30 0.00 0.00 0.00 175.76 175.24 3itl n PRO 135 N -0.73 2.06 -0.95 0.00 -0.02 -1.26 -2.03 135.00 132.06 3itl n PRO 135 Ca -0.08 0.73 0.00 0.00 -2.02 0.00 0.00 63.50 62.13 3itl n PRO 135 Cb 0.56 -2.33 0.00 0.00 -0.02 0.00 0.00 33.50 31.71 3itl n PRO 135 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3itl n GLY 136 N 1.35 0.53 3.73 -1.23 0.00 -1.26 -4.99 105.19 103.32 3itl n GLY 136 Ca 0.08 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.68 3itl n GLY 136 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 3itl s GLN 137 N -0.39 4.31 0.09 1.61 0.74 -0.86 -4.94 119.66 120.22 3itl s GLN 137 Ca 0.00 2.18 -0.14 0.00 0.05 0.00 0.00 55.36 57.45 3itl s GLN 137 Cb 0.00 -3.18 -0.12 0.00 1.10 0.00 0.00 33.01 30.82 3itl s GLN 137 CO 0.00 -0.40 1.35 0.00 -0.55 0.00 0.00 175.29 175.69 3itl h ALA 138 N 5.86 0.36 -3.46 1.58 0.00 -1.94 -3.44 119.26 118.22 3itl h ALA 138 Ca -0.44 -0.48 -0.61 0.00 0.00 0.00 0.00 54.91 53.38 3itl h ALA 138 Cb 1.21 -0.06 -0.33 0.00 0.00 0.00 0.00 17.79 18.62 3itl h ALA 138 CO 0.82 0.52 -0.85 -1.01 0.00 0.00 0.00 179.25 178.73 3itl s HIS 139 N -4.05 2.06 0.47 0.00 3.76 -1.26 -5.13 115.29 111.14 3itl s HIS 139 Ca -0.12 -0.78 -0.20 0.00 -0.15 0.00 0.00 55.06 53.80 3itl s HIS 139 Cb 0.08 -1.41 -0.09 0.00 1.11 0.00 0.00 32.58 32.27 3itl s HIS 139 CO 0.86 -0.33 1.01 0.45 -0.85 0.00 0.00 174.74 175.88 3itl s SER 140 N 0.40 6.52 -0.13 1.40 0.15 -1.26 -4.96 113.70 115.83 3itl s SER 140 Ca -0.15 1.85 0.18 0.00 0.70 0.00 0.00 55.95 58.54 3itl s SER 140 Cb -0.16 -2.55 0.74 0.00 -1.71 0.00 0.00 66.02 62.34 3itl s SER 140 CO 0.06 -0.65 1.65 -1.22 1.20 0.00 0.00 173.24 174.28 3itl n TYR 141 N -0.87 1.56 -0.28 3.44 4.01 -1.26 -4.58 117.16 119.18 3itl n TYR 141 Ca 0.09 -0.62 0.09 0.00 -0.16 0.00 0.00 57.90 57.29 3itl n TYR 141 Cb 0.53 -0.27 0.24 0.00 -0.31 0.00 0.00 39.34 39.53 3itl n TYR 141 CO 0.00 0.00 0.00 -0.22 -0.46 0.00 0.00 176.86 176.18 3itl h LYS 142 N 4.15 0.36 -0.46 -0.72 3.64 -1.94 -0.95 116.57 120.65 3itl h LYS 142 Ca 0.00 -0.02 -0.02 0.00 -1.27 0.00 0.00 60.65 59.34 3itl h LYS 142 Cb 1.52 -0.08 -0.01 0.00 -0.41 0.00 0.00 32.23 33.24 3itl h LYS 142 CO 0.26 0.24 0.02 0.66 -2.27 0.00 0.00 179.45 178.36 3itl n TYR 143 N -5.07 1.65 0.00 1.91 4.01 -1.26 -5.05 117.16 113.35 3itl n TYR 143 Ca 0.18 -0.84 0.00 0.00 -0.16 0.00 0.00 57.90 57.08 3itl n TYR 143 Cb 0.54 -0.45 0.00 0.00 -0.31 0.00 0.00 39.34 39.12 3itl n TYR 143 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3itl n GLY 144 N 0.09 1.63 0.00 2.72 0.00 -0.36 -4.65 105.19 104.62 3itl n GLY 144 Ca 0.26 -2.12 0.00 0.00 0.00 0.00 0.00 46.02 44.16 3itl n GLY 144 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3itl n SER 145 N 0.00 0.00 0.31 1.61 3.41 -1.26 -4.24 113.62 113.45 3itl n SER 145 Ca 0.00 0.00 0.20 0.00 -0.26 0.00 0.00 58.87 58.81 3itl n SER 145 Cb 0.00 0.00 1.01 0.00 -0.26 0.00 0.00 64.21 64.96 3itl n SER 145 CO 0.00 0.00 0.00 -0.07 -0.16 0.00 0.00 175.04 174.81 3itl h LEU 146 N 0.00 0.00 -2.97 1.04 3.38 -1.87 -2.34 115.31 112.55 3itl h LEU 146 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3itl h LEU 146 Cb 0.00 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.75 3itl h LEU 146 CO 0.00 0.02 0.00 -1.54 0.09 0.00 0.00 178.44 177.01 3itl n SER 147 N -3.22 2.59 -4.71 -0.43 3.41 -1.26 -3.82 113.62 106.18 3itl n SER 147 Ca -0.02 -2.17 -0.38 0.00 -0.26 0.00 0.00 58.87 56.04 3itl n SER 147 Cb 0.15 -0.18 0.05 0.00 -0.26 0.00 0.00 64.21 63.97 3itl n SER 147 CO 0.00 0.00 0.00 1.57 -0.16 0.00 0.00 175.04 176.45 3itl n HIS 148 N -0.14 1.88 0.25 7.33 -0.00 -0.88 -4.79 115.22 118.87 3itl n HIS 148 Ca 0.08 0.44 0.12 0.00 -0.00 0.00 0.00 57.72 58.36 3itl n HIS 148 Cb 0.41 -2.29 0.62 0.00 -0.00 0.00 0.00 29.99 28.73 3itl n HIS 148 CO 0.00 0.00 0.00 1.79 -0.00 0.00 0.00 176.34 178.13 3itl h THR 149 N 1.06 0.47 -3.39 3.57 1.35 -1.91 -3.43 112.91 110.63 3itl h THR 149 Ca -0.50 -0.78 -0.60 0.00 -0.55 0.00 0.00 66.41 63.98 3itl h THR 149 Cb 1.33 1.54 -0.09 0.00 -1.73 0.00 0.00 68.15 69.19 3itl h THR 149 CO 0.55 0.15 0.48 0.21 -0.25 0.00 0.00 175.52 176.65 3itl s ASN 150 N -6.07 6.73 0.23 5.36 2.47 -1.26 -4.96 114.94 117.44 3itl s ASN 150 Ca -0.01 0.77 -0.06 0.00 0.42 0.00 0.00 52.86 53.98 3itl s ASN 150 Cb 0.11 -2.43 0.40 0.00 -1.45 0.00 0.00 41.25 37.88 3itl s ASN 150 CO 0.60 -0.65 1.73 0.00 -3.72 0.00 0.00 177.10 175.06 3itl h ALA 151 N 8.06 0.96 -0.44 1.71 0.00 -1.99 -1.34 119.26 126.22 3itl h ALA 151 Ca -0.23 0.11 -0.02 0.00 0.00 0.00 0.00 54.91 54.76 3itl h ALA 151 Cb 1.09 0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.94 3itl h ALA 151 CO 0.91 -0.20 0.18 0.00 0.00 0.00 0.00 179.25 180.14 3itl h ALA 152 N 1.51 1.50 -0.34 0.00 0.00 -1.96 -0.59 119.26 119.38 3itl h ALA 152 Ca 0.38 -0.11 -0.15 0.00 0.00 0.00 0.00 54.91 55.02 3itl h ALA 152 Cb 0.54 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.14 3itl h ALA 152 CO -0.37 0.39 -0.40 1.15 0.00 0.00 0.00 179.25 180.01 3itl h THR 153 N 0.62 1.28 -0.48 0.00 2.02 -1.62 -1.17 112.91 113.55 3itl h THR 153 Ca 0.15 -1.58 -0.13 0.00 0.77 0.00 0.00 66.41 65.62 3itl h THR 153 Cb 0.11 1.45 -0.01 0.00 -1.74 0.00 0.00 68.15 67.96 3itl h THR 153 CO -0.02 0.52 -0.22 0.03 0.37 0.00 0.00 175.52 176.20 3itl h ARG 154 N 0.67 1.00 -0.63 6.66 3.08 -0.90 -1.64 114.38 122.63 3itl h ARG 154 Ca 0.05 -0.43 -0.00 0.00 0.07 0.00 0.00 59.98 59.67 3itl h ARG 154 Cb 0.97 -0.03 -0.03 0.00 0.08 0.00 0.00 29.97 30.96 3itl h ARG 154 CO 0.09 1.11 0.39 0.00 -1.07 0.00 0.00 179.97 180.49 3itl h ALA 155 N 0.86 0.80 -0.70 0.04 0.00 -0.99 0.70 119.26 119.97 3itl h ALA 155 Ca 0.11 -0.07 -0.02 0.00 0.00 0.00 0.00 54.91 54.93 3itl h ALA 155 Cb 0.80 -0.25 -0.03 0.00 0.00 0.00 0.00 17.79 18.31 3itl h ALA 155 CO 0.07 0.26 0.36 0.37 0.00 0.00 0.00 179.25 180.31 3itl h GLN 156 N 0.85 0.99 -0.59 0.00 4.15 -1.02 -0.37 115.11 119.11 3itl h GLN 156 Ca 0.23 -0.13 -0.10 0.00 0.77 0.00 0.00 58.65 59.42 3itl h GLN 156 Cb -0.04 -0.19 -0.02 0.00 0.21 0.00 0.00 27.48 27.44 3itl h GLN 156 CO -0.04 0.76 -0.01 0.00 -1.93 0.00 0.00 178.83 177.60 3itl h ALA 157 N 1.18 0.85 -0.37 3.38 0.00 -0.75 -1.75 119.26 121.80 3itl h ALA 157 Ca 0.24 -0.31 -0.02 0.00 0.00 0.00 0.00 54.91 54.82 3itl h ALA 157 Cb 0.07 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.62 3itl h ALA 157 CO -0.04 0.67 0.17 0.28 0.00 0.00 0.00 179.25 180.33 3itl h VAL 158 N 0.96 1.17 -0.72 0.00 2.07 -0.43 -2.23 116.25 117.07 3itl h VAL 158 Ca 0.17 -0.51 -0.01 0.00 0.82 0.00 0.00 66.70 67.17 3itl h VAL 158 Cb 0.56 0.82 -0.04 0.00 -1.52 0.00 0.00 31.29 31.12 3itl h VAL 158 CO 0.03 0.19 0.42 -0.08 0.02 0.00 0.00 177.57 178.15 3itl h GLU 159 N 0.46 0.98 -0.39 1.57 4.57 -0.89 -1.35 114.58 119.52 3itl h GLU 159 Ca 0.13 -0.09 -0.01 0.00 -1.18 0.00 0.00 59.36 58.20 3itl h GLU 159 Cb 0.14 -0.20 -0.02 0.00 -0.16 0.00 0.00 28.75 28.51 3itl h GLU 159 CO -0.01 0.70 0.19 1.25 -1.18 0.00 0.00 179.01 179.96 3itl h HIS 160 N 1.00 0.57 -0.60 0.92 2.76 -0.99 -1.35 115.15 117.46 3itl h HIS 160 Ca 0.26 -0.03 -0.04 0.00 -2.20 0.00 0.00 60.37 58.35 3itl h HIS 160 Cb -0.01 -0.18 -0.03 0.00 1.55 0.00 0.00 27.41 28.74 3itl h HIS 160 CO 0.00 0.48 0.19 -0.91 -1.30 0.00 0.00 177.93 176.39 3itl h ASN 161 N 0.50 0.83 -0.30 3.26 2.35 -0.87 -1.79 115.58 119.56 3itl h ASN 161 Ca 0.14 -0.13 -0.09 0.00 -0.55 0.00 0.00 56.30 55.66 3itl h ASN 161 Cb 0.12 -0.22 -0.02 0.00 0.05 0.00 0.00 38.32 38.26 3itl h ASN 161 CO -0.02 0.78 -0.12 -0.07 -1.65 0.00 0.00 177.43 176.35 3itl h LEU 162 N 0.87 0.71 -1.05 1.61 3.38 -0.95 -2.23 115.31 117.66 3itl h LEU 162 Ca 0.20 -0.21 -0.07 0.00 0.09 0.00 0.00 57.88 57.89 3itl h LEU 162 Cb 0.24 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 40.78 3itl h LEU 162 CO -0.01 0.86 -0.05 -0.08 0.09 0.00 0.00 178.44 179.25 3itl h GLU 163 N 0.65 0.63 -0.78 1.13 4.81 -0.67 -1.40 114.58 118.95 3itl h GLU 163 Ca 0.11 -0.17 -0.04 0.00 -0.13 0.00 0.00 59.36 59.13 3itl h GLU 163 Cb 0.58 -0.07 -0.03 0.00 0.63 0.00 0.00 28.75 29.85 3itl h GLU 163 CO 0.04 0.68 0.32 0.00 -0.73 0.00 0.00 179.01 179.32 3itl h ILE 165 N 1.14 1.25 -0.66 0.00 2.04 -0.84 -0.03 117.51 120.41 3itl h ILE 165 Ca 0.26 -0.88 -0.02 0.00 1.00 0.00 0.00 64.86 65.23 3itl h ILE 165 Cb 0.20 0.73 -0.03 0.00 -0.74 0.00 0.00 36.82 36.98 3itl h ILE 165 CO -0.02 0.32 0.33 -0.33 0.00 0.00 0.00 178.15 178.45 3itl h GLU 166 N 0.81 0.94 -0.47 2.37 4.39 -0.72 0.16 114.58 122.06 3itl h GLU 166 Ca 0.18 -0.13 -0.06 0.00 0.34 0.00 0.00 59.36 59.69 3itl h GLU 166 Cb 0.34 -0.17 -0.02 0.00 -0.10 0.00 0.00 28.75 28.79 3itl h GLU 166 CO 0.00 0.74 0.07 0.82 -1.16 0.00 0.00 179.01 179.48 3itl h ILE 167 N 0.91 1.25 -0.73 3.13 2.04 -0.94 -2.78 117.51 120.40 3itl h ILE 167 Ca 0.23 -0.91 -0.01 0.00 1.00 0.00 0.00 64.86 65.16 3itl h ILE 167 Cb 0.09 0.93 -0.03 0.00 -0.74 0.00 0.00 36.82 37.07 3itl h ILE 167 CO -0.03 0.32 0.41 1.23 0.00 0.00 0.00 178.15 180.08 3itl h GLY 168 N 0.65 1.08 1.21 5.37 0.00 -0.52 -2.42 103.07 108.44 3itl h GLY 168 Ca 0.14 -0.48 -0.03 0.00 0.00 0.00 0.00 47.33 46.96 3itl h GLY 168 CO 0.01 0.46 0.35 0.50 0.00 0.00 0.00 176.54 177.86 3itl h LYS 169 N 1.00 1.02 0.00 4.80 1.57 -0.89 0.48 116.57 124.55 3itl h LYS 169 Ca 0.26 -0.14 -0.00 0.00 -1.87 0.00 0.00 60.65 58.90 3itl h LYS 169 Cb 0.02 -0.19 -0.00 0.00 0.08 0.00 0.00 32.23 32.14 3itl h LYS 169 CO -0.04 0.79 -0.01 0.00 -0.57 0.00 0.00 179.45 179.62 3itl h ALA 170 N 1.36 1.00 -0.01 3.86 0.00 -1.16 -3.22 119.26 121.09 3itl h ALA 170 Ca 0.25 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.15 3itl h ALA 170 Cb 0.10 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.89 3itl h ALA 170 CO -0.03 0.01 -0.26 0.44 0.00 0.00 0.00 179.25 179.40 3itl n ILE 171 N -3.10 0.00 0.00 0.00 -5.35 -0.88 -4.81 119.36 105.22 3itl n ILE 171 Ca 0.01 -0.37 0.00 0.00 -0.27 0.00 0.00 62.75 62.12 3itl n ILE 171 Cb 0.31 1.12 0.00 0.00 -1.74 0.00 0.00 39.64 39.32 3itl n ILE 171 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3itl n GLY 172 N 0.98 0.92 3.81 3.28 0.00 -0.60 -4.65 105.19 108.92 3itl n GLY 172 Ca 0.04 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.75 3itl n GLY 172 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3itl s SER 173 N -2.06 5.47 -0.04 1.61 0.15 0.06 -4.78 113.70 114.12 3itl s SER 173 Ca 0.00 1.69 0.06 0.00 0.70 0.00 0.00 55.95 58.40 3itl s SER 173 Cb 0.00 -2.51 0.09 0.00 -1.71 0.00 0.00 66.02 61.89 3itl s SER 173 CO 0.00 -1.38 1.03 0.29 1.20 0.00 0.00 173.24 174.37 3itl n LYS 174 N -2.78 0.43 -3.50 5.44 4.76 -1.26 -4.45 118.16 116.79 3itl n LYS 174 Ca 0.08 -1.46 -0.13 0.00 -2.87 0.00 0.00 58.31 53.93 3itl n LYS 174 Cb 0.53 -0.80 -0.04 0.00 -1.84 0.00 0.00 35.03 32.88 3itl n LYS 174 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 3itl s ALA 175 N -0.87 -1.77 -0.11 7.82 0.00 -1.26 -2.00 121.76 123.57 3itl s ALA 175 Ca 0.09 1.12 0.02 0.00 0.00 0.00 0.00 51.96 53.20 3itl s ALA 175 Cb 0.08 0.14 0.01 0.00 0.00 0.00 0.00 23.12 23.36 3itl s ALA 175 CO 0.01 -0.51 -0.16 -1.17 0.00 0.00 0.00 175.76 173.93 3itl s LEU 176 N -1.76 1.78 -0.21 0.00 2.96 -0.74 0.09 118.68 120.81 3itl s LEU 176 Ca -0.04 -0.45 -0.09 0.00 -0.22 0.00 0.00 54.13 53.33 3itl s LEU 176 Cb -0.00 -1.14 -0.05 0.00 0.50 0.00 0.00 46.19 45.50 3itl s LEU 176 CO -0.00 0.03 0.11 -0.89 -1.32 0.00 0.00 176.35 174.27 3itl s THR 177 N 0.94 5.10 -0.32 3.68 2.01 0.71 -0.53 115.64 127.23 3itl s THR 177 Ca -0.07 0.08 -0.01 0.00 0.31 0.00 0.00 61.69 62.00 3itl s THR 177 Cb -0.15 -3.33 0.06 0.00 0.01 0.00 0.00 72.50 69.09 3itl s THR 177 CO -0.01 0.42 0.03 -0.69 -0.69 0.00 0.00 174.62 173.68 3itl s VAL 178 N 0.60 2.94 -0.11 3.82 1.01 0.13 -3.03 120.40 125.76 3itl s VAL 178 Ca 0.06 -1.57 0.02 0.00 0.00 0.00 0.00 61.98 60.49 3itl s VAL 178 Cb -0.12 -2.77 0.01 0.00 0.00 0.00 0.00 36.38 33.49 3itl s VAL 178 CO 0.01 -0.23 -0.17 0.86 0.00 0.00 0.00 175.10 175.57 3itl s TRP 179 N 1.20 2.15 0.21 5.22 -0.00 -1.26 -2.12 118.94 124.34 3itl s TRP 179 Ca -0.02 -1.02 0.08 0.00 -0.00 0.00 0.00 56.10 55.14 3itl s TRP 179 Cb -0.20 -1.52 -0.05 0.00 -0.00 0.00 0.00 33.47 31.70 3itl s TRP 179 CO -0.02 -0.50 -0.13 0.96 -0.00 0.00 0.00 176.95 177.26 3itl s ILE 180 N 0.89 1.72 -1.79 5.86 -4.36 -1.26 -4.69 121.20 117.57 3itl s ILE 180 Ca -0.08 -2.20 0.26 0.00 -0.26 0.00 0.00 60.65 58.37 3itl s ILE 180 Cb -0.15 -2.09 0.22 0.00 1.25 0.00 0.00 42.46 41.68 3itl s ILE 180 CO -0.01 -0.56 1.48 0.61 0.24 0.00 0.00 174.94 176.71 3itl n GLY 181 N -0.40 -0.51 2.95 6.27 0.00 -1.26 -4.95 105.19 107.28 3itl n GLY 181 Ca -0.08 -0.44 -0.51 0.00 0.00 0.00 0.00 46.02 44.99 3itl n GLY 181 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3itl n ASP 182 N -0.56 0.35 0.00 1.61 9.92 -1.26 -4.08 116.55 122.54 3itl n ASP 182 Ca 0.12 0.96 0.00 0.00 -0.53 0.00 0.00 54.79 55.34 3itl n ASP 182 Cb 0.37 -0.74 0.00 0.00 -0.64 0.00 0.00 41.12 40.10 3itl n ASP 182 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 3itl n GLY 183 N 1.97 -0.55 3.10 0.44 0.00 -1.26 -1.80 105.19 107.10 3itl n GLY 183 Ca 0.20 -0.85 -0.10 0.00 0.00 0.00 0.00 46.02 45.26 3itl n GLY 183 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3itl s SER 184 N -4.00 0.83 0.00 1.61 1.04 0.49 -4.89 113.70 108.78 3itl s SER 184 Ca 0.00 -0.83 0.14 0.00 0.48 0.00 0.00 55.95 55.73 3itl s SER 184 Cb 0.00 0.10 -0.06 0.00 0.10 0.00 0.00 66.02 66.16 3itl s SER 184 CO 0.00 -0.41 0.69 0.59 0.98 0.00 0.00 173.24 175.09 3itl n ASN 185 N 0.56 1.13 -3.89 7.02 4.13 -1.26 -1.19 115.26 121.75 3itl n ASN 185 Ca -0.17 -1.06 -0.13 0.00 1.68 0.00 0.00 54.58 54.90 3itl n ASN 185 Cb 0.59 0.69 -0.14 0.00 -1.54 0.00 0.00 39.78 39.37 3itl n ASN 185 CO 0.00 0.00 0.00 -0.36 0.28 0.00 0.00 177.26 177.18 3itl s PHE 186 N -1.93 0.13 0.31 3.10 0.08 -1.26 -4.39 117.98 114.03 3itl s PHE 186 Ca 0.09 -0.02 -0.29 0.00 0.12 0.00 0.00 56.93 56.82 3itl s PHE 186 Cb 0.11 -0.09 -0.12 0.00 -0.57 0.00 0.00 43.02 42.35 3itl s PHE 186 CO 0.43 -0.00 1.45 -2.30 -0.10 0.00 0.00 175.22 174.70 3itl n PRO 187 N 3.05 2.41 0.00 0.24 -0.02 -1.26 -1.50 135.00 137.92 3itl n PRO 187 Ca -0.12 0.85 0.00 0.00 -2.02 0.00 0.00 63.50 62.21 3itl n PRO 187 Cb 0.59 -2.55 0.00 0.00 -0.02 0.00 0.00 33.50 31.53 3itl n PRO 187 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3itl n GLY 188 N 1.42 3.00 0.30 -1.23 0.00 -1.26 -4.87 105.19 102.55 3itl n GLY 188 Ca 0.07 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.10 3itl n GLY 188 CO 0.00 0.00 0.00 -1.61 0.00 0.00 0.00 173.32 171.71 3itl h GLN 189 N 1.08 0.75 -6.73 1.61 4.15 -1.70 -3.42 115.11 110.84 3itl h GLN 189 Ca 0.00 -0.04 -0.67 0.00 0.77 0.00 0.00 58.65 58.70 3itl h GLN 189 Cb 0.00 -0.17 -0.24 0.00 0.21 0.00 0.00 27.48 27.29 3itl h GLN 189 CO 0.00 0.49 -0.87 -1.12 -1.93 0.00 0.00 178.83 175.41 3itl s SER 190 N -5.61 3.14 -0.41 -0.69 0.01 -1.26 -5.09 113.70 103.80 3itl s SER 190 Ca -0.12 -0.68 -0.19 0.00 1.31 0.00 0.00 55.95 56.27 3itl s SER 190 Cb 0.19 -0.23 0.02 0.00 0.21 0.00 0.00 66.02 66.20 3itl s SER 190 CO 0.78 0.19 0.53 0.21 0.41 0.00 0.00 173.24 175.36 3itl s ASN 191 N -1.74 6.27 0.20 2.44 3.84 -1.26 -4.96 114.94 119.73 3itl s ASN 191 Ca 0.12 -0.38 -0.15 0.00 0.21 0.00 0.00 52.86 52.66 3itl s ASN 191 Cb -0.10 -2.27 0.20 0.00 -0.55 0.00 0.00 41.25 38.53 3itl s ASN 191 CO 0.04 -0.62 1.62 -0.26 -2.79 0.00 0.00 177.10 175.09 3itl h PHE 192 N 8.71 -0.42 -0.08 0.43 0.04 -1.98 -1.48 116.94 122.16 3itl h PHE 192 Ca -0.26 0.06 -0.01 0.00 2.80 0.00 0.00 57.97 60.55 3itl h PHE 192 Cb 1.11 0.28 -0.00 0.00 2.20 0.00 0.00 35.95 39.53 3itl h PHE 192 CO 0.69 -0.28 0.01 1.15 -0.60 0.00 0.00 178.31 179.28 3itl h THR 193 N -0.04 1.22 -0.83 -1.55 2.02 -1.99 -2.42 112.91 109.31 3itl h THR 193 Ca 0.27 -0.67 -0.03 0.00 0.77 0.00 0.00 66.41 66.76 3itl h THR 193 Cb 0.46 1.51 -0.04 0.00 -1.74 0.00 0.00 68.15 68.34 3itl h THR 193 CO -0.62 0.19 0.42 0.03 0.37 0.00 0.00 175.52 175.91 3itl h ARG 194 N -0.11 1.18 -0.62 6.66 2.47 -1.93 -0.56 114.38 121.47 3itl h ARG 194 Ca 0.02 -0.16 -0.06 0.00 -1.26 0.00 0.00 59.98 58.53 3itl h ARG 194 Cb 0.29 -0.22 -0.03 0.00 -1.65 0.00 0.00 29.97 28.36 3itl h ARG 194 CO 0.00 0.89 0.16 0.00 0.56 0.00 0.00 179.97 181.58 3itl h ALA 195 N 1.28 0.82 -0.55 0.04 0.00 -1.26 -1.26 119.26 118.34 3itl h ALA 195 Ca 0.29 -0.23 -0.11 0.00 0.00 0.00 0.00 54.91 54.86 3itl h ALA 195 Cb 0.08 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.62 3itl h ALA 195 CO -0.04 0.52 -0.10 0.35 0.00 0.00 0.00 179.25 179.99 3itl h PHE 196 N 0.91 1.14 -0.75 0.00 3.57 -1.03 -1.24 116.94 119.54 3itl h PHE 196 Ca 0.20 -0.23 0.00 0.00 3.53 0.00 0.00 57.97 61.47 3itl h PHE 196 Cb 0.34 -0.28 -0.04 0.00 2.79 0.00 0.00 35.95 38.76 3itl h PHE 196 CO 0.03 1.05 0.47 0.93 -2.23 0.00 0.00 178.31 178.56 3itl h GLU 197 N 0.91 1.00 -0.59 1.11 5.08 -0.83 0.13 114.58 121.39 3itl h GLU 197 Ca 0.14 -0.08 -0.03 0.00 -1.00 0.00 0.00 59.36 58.39 3itl h GLU 197 Cb 0.66 -0.22 -0.03 0.00 0.50 0.00 0.00 28.75 29.67 3itl h GLU 197 CO 0.05 0.69 0.23 0.00 -1.00 0.00 0.00 179.01 178.98 3itl h ARG 198 N 1.02 0.88 -0.22 2.33 3.08 -0.94 -1.66 114.38 118.87 3itl h ARG 198 Ca 0.27 -0.16 0.00 0.00 0.07 0.00 0.00 59.98 60.16 3itl h ARG 198 Cb -0.07 -0.14 -0.01 0.00 0.08 0.00 0.00 29.97 29.82 3itl h ARG 198 CO -0.05 0.76 0.14 -0.92 -1.07 0.00 0.00 179.97 178.82 3itl h TYR 199 N 0.82 0.29 -0.82 3.04 5.03 -0.64 -1.76 116.97 122.93 3itl h TYR 199 Ca 0.20 0.00 0.01 0.00 2.58 0.00 0.00 58.73 61.51 3itl h TYR 199 Cb 0.20 -0.10 -0.04 0.00 1.55 0.00 0.00 36.73 38.35 3itl h TYR 199 CO 0.01 0.21 0.53 -0.07 -1.32 0.00 0.00 178.16 177.52 3itl h LEU 200 N 0.28 0.95 -0.62 2.82 3.38 -0.79 -0.12 115.31 121.22 3itl h LEU 200 Ca 0.08 -0.03 -0.07 0.00 0.09 0.00 0.00 57.88 57.95 3itl h LEU 200 Cb -0.00 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.49 3itl h LEU 200 CO -0.02 0.70 0.12 -1.28 0.09 0.00 0.00 178.44 178.06 3itl h SER 201 N 1.12 0.96 -0.42 -0.43 0.87 -1.09 -1.74 113.55 112.83 3itl h SER 201 Ca 0.30 -0.25 -0.10 0.00 -1.23 0.00 0.00 61.79 60.51 3itl h SER 201 Cb -0.11 -0.25 -0.01 0.00 -0.44 0.00 0.00 62.40 61.58 3itl h SER 201 CO -0.06 0.96 -0.13 0.00 -0.53 0.00 0.00 176.83 177.08 3itl h ALA 202 N 1.03 0.58 -0.01 6.23 0.00 -0.94 -2.81 119.26 123.34 3itl h ALA 202 Ca 0.19 -0.34 -0.04 0.00 0.00 0.00 0.00 54.91 54.72 3itl h ALA 202 Cb 0.40 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.04 3itl h ALA 202 CO 0.01 0.48 -0.21 0.52 0.00 0.00 0.00 179.25 180.05 3itl h MET 203 N 0.64 0.01 -0.26 0.00 2.07 -0.90 -1.61 114.93 114.88 3itl h MET 203 Ca 0.10 -0.00 -0.06 0.00 -2.07 0.00 0.00 59.70 57.67 3itl h MET 203 Cb 0.67 -0.00 -0.02 0.00 -1.87 0.00 0.00 31.60 30.38 3itl h MET 203 CO 0.05 0.22 -0.10 0.00 1.07 0.00 0.00 176.91 178.14 3itl h ALA 204 N 1.78 1.34 -0.37 6.32 0.00 -1.06 0.51 119.26 127.79 3itl h ALA 204 Ca -0.00 -0.24 -0.16 0.00 0.00 0.00 0.00 54.91 54.51 3itl h ALA 204 Cb 0.37 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.03 3itl h ALA 204 CO 0.03 0.45 -0.39 0.93 0.00 0.00 0.00 179.25 180.26 3itl h GLU 205 N 0.41 0.91 -0.56 0.00 5.08 -1.19 -2.61 114.58 116.61 3itl h GLU 205 Ca 0.08 -0.48 -0.10 0.00 -1.00 0.00 0.00 59.36 57.86 3itl h GLU 205 Cb 0.43 0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.67 3itl h GLU 205 CO 0.02 1.13 -0.03 0.82 -1.00 0.00 0.00 179.01 179.95 3itl h ILE 206 N 0.74 1.27 -0.93 3.13 2.04 -1.05 -2.89 117.51 119.81 3itl h ILE 206 Ca 0.06 -1.18 0.08 0.00 1.00 0.00 0.00 64.86 64.83 3itl h ILE 206 Cb 0.98 0.90 -0.07 0.00 -0.74 0.00 0.00 36.82 37.89 3itl h ILE 206 CO 0.10 0.42 0.58 0.22 0.00 0.00 0.00 178.15 179.46 3itl h TYR 207 N 0.90 1.06 -0.02 1.37 5.03 -0.78 -1.06 116.97 123.47 3itl h TYR 207 Ca 0.15 0.03 0.00 0.00 2.58 0.00 0.00 58.73 61.50 3itl h TYR 207 Cb 0.59 -0.34 -0.00 0.00 1.55 0.00 0.00 36.73 38.53 3itl h TYR 207 CO 0.04 0.49 0.03 0.87 -1.32 0.00 0.00 178.16 178.27 3itl h LYS 208 N 1.00 0.00 -0.22 1.82 1.57 -1.24 -1.52 116.57 117.97 3itl h LYS 208 Ca 0.43 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.21 3itl h LYS 208 Cb 0.29 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.60 3itl h LYS 208 CO -0.21 0.00 0.00 0.41 -0.57 0.00 0.00 179.45 179.08 3itl n GLY 209 N -1.25 0.46 3.71 3.86 0.00 -0.40 -4.91 105.19 106.66 3itl n GLY 209 Ca -0.03 -0.43 -0.41 0.00 0.00 0.00 0.00 46.02 45.15 3itl n GLY 209 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3itl s LEU 210 N -1.45 4.35 0.96 0.99 1.43 -0.58 -5.00 118.68 119.39 3itl s LEU 210 Ca 0.31 1.48 -0.12 0.00 -1.03 0.00 0.00 54.13 54.78 3itl s LEU 210 Cb 0.17 -3.38 0.17 0.00 0.03 0.00 0.00 46.19 43.17 3itl s LEU 210 CO 0.25 -0.20 1.09 -2.84 0.23 0.00 0.00 176.35 174.88 3itl s PRO 211 N 0.89 0.71 0.51 1.29 0.02 -1.26 -4.89 135.00 132.27 3itl s PRO 211 Ca 0.46 0.97 0.19 0.00 0.02 0.00 0.00 61.00 62.64 3itl s PRO 211 Cb -0.20 -1.73 1.29 0.00 0.02 0.00 0.00 34.50 33.87 3itl s PRO 211 CO 0.24 -2.66 2.08 -0.44 -0.33 0.00 0.00 177.00 175.89 3itl h ASP 212 N -1.86 0.04 -0.56 2.53 3.32 -2.00 -2.30 116.42 115.59 3itl h ASP 212 Ca -0.51 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.54 3itl h ASP 212 Cb 1.29 -0.01 0.00 0.00 0.22 0.00 0.00 39.33 40.83 3itl h ASP 212 CO 0.51 0.03 0.00 -0.90 -1.72 0.00 0.00 179.24 177.16 3itl n ASP 213 N -4.47 4.82 -4.94 6.45 5.75 -1.26 -4.98 116.55 117.92 3itl n ASP 213 Ca 0.03 -2.63 -0.21 0.00 -0.01 0.00 0.00 54.79 51.98 3itl n ASP 213 Cb 0.31 -0.58 -0.02 0.00 -1.03 0.00 0.00 41.12 39.79 3itl n ASP 213 CO 0.00 0.00 0.00 0.26 -0.11 0.00 0.00 177.20 177.35 3itl s TRP 214 N -2.17 3.26 0.09 2.11 0.52 -0.87 -4.91 118.94 116.98 3itl s TRP 214 Ca 0.49 -0.11 0.06 0.00 0.02 0.00 0.00 56.10 56.56 3itl s TRP 214 Cb 0.34 -1.68 -0.03 0.00 -1.15 0.00 0.00 33.47 30.95 3itl s TRP 214 CO 0.20 0.31 -0.15 0.15 0.02 0.00 0.00 176.95 177.48 3itl s LYS 215 N -4.01 0.93 -0.22 4.98 1.02 -0.85 -4.82 119.74 116.77 3itl s LYS 215 Ca 0.37 -1.08 0.00 0.00 0.02 0.00 0.00 55.97 55.29 3itl s LYS 215 Cb -0.09 -0.95 0.03 0.00 -0.52 0.00 0.00 37.83 36.30 3itl s LYS 215 CO 0.29 0.20 -0.13 -1.17 -0.92 0.00 0.00 175.35 173.62 3itl s LEU 216 N -1.98 2.72 -0.26 3.17 2.96 0.18 -1.78 118.68 123.68 3itl s LEU 216 Ca 0.03 -0.82 -0.08 0.00 -0.22 0.00 0.00 54.13 53.04 3itl s LEU 216 Cb -0.08 -1.56 -0.03 0.00 0.50 0.00 0.00 46.19 45.02 3itl s LEU 216 CO 0.03 -0.07 0.09 -0.36 -1.32 0.00 0.00 176.35 174.72 3itl s PHE 217 N 1.28 3.11 -0.07 5.38 0.08 0.31 -1.14 117.98 126.94 3itl s PHE 217 Ca 0.01 -0.42 -0.11 0.00 0.12 0.00 0.00 56.93 56.52 3itl s PHE 217 Cb -0.15 -2.27 -0.05 0.00 -0.57 0.00 0.00 43.02 39.98 3itl s PHE 217 CO -0.08 -0.37 0.28 -1.54 -0.10 0.00 0.00 175.22 173.41 3itl s SER 218 N 1.62 6.58 -0.19 1.36 1.04 -0.82 0.18 113.70 123.48 3itl s SER 218 Ca 0.06 0.70 -0.00 0.00 0.48 0.00 0.00 55.95 57.18 3itl s SER 218 Cb -0.16 -2.17 0.01 0.00 0.10 0.00 0.00 66.02 63.81 3itl s SER 218 CO 0.05 0.33 -0.15 -0.70 0.98 0.00 0.00 173.24 173.74 3itl s GLU 219 N -0.83 3.12 0.49 4.02 2.12 -0.90 -1.08 118.70 125.64 3itl s GLU 219 Ca 0.19 -0.76 -0.10 0.00 0.36 0.00 0.00 54.97 54.65 3itl s GLU 219 Cb -0.14 -2.70 -0.05 0.00 0.26 0.00 0.00 34.13 31.49 3itl s GLU 219 CO 0.08 -0.19 0.87 -3.38 -0.54 0.00 0.00 175.26 172.10 3itl s HIS 220 N 1.31 3.53 -0.28 5.30 -3.43 -1.26 -4.71 115.29 115.75 3itl s HIS 220 Ca 0.04 1.11 -0.13 0.00 -0.80 0.00 0.00 55.06 55.28 3itl s HIS 220 Cb -0.14 -2.52 0.10 0.00 -1.43 0.00 0.00 32.58 28.59 3itl s HIS 220 CO -0.09 -0.33 0.66 0.21 -2.00 0.00 0.00 174.74 173.20 3itl s LYS 221 N -4.42 0.65 0.19 -0.38 2.20 -0.06 -4.77 119.74 113.14 3itl s LYS 221 Ca 0.52 1.30 -0.12 0.00 -0.36 0.00 0.00 55.97 57.31 3itl s LYS 221 Cb -0.10 0.41 0.15 0.00 -1.51 0.00 0.00 37.83 36.78 3itl s LYS 221 CO 0.40 -0.17 1.81 1.98 -0.36 0.00 0.00 175.35 179.01 3itl h MET 222 N 7.40 0.60 -2.84 4.03 1.85 -1.09 -3.35 114.93 121.54 3itl h MET 222 Ca -0.25 -0.04 0.09 0.00 -0.61 0.00 0.00 59.70 58.88 3itl h MET 222 Cb 1.18 -0.14 -0.07 0.00 0.43 0.00 0.00 31.60 33.01 3itl h MET 222 CO 0.14 0.40 0.29 1.52 -0.40 0.00 0.00 176.91 178.86 3itl s TYR 223 N -6.12 -0.22 0.02 1.39 1.13 -1.26 -4.49 117.35 107.79 3itl s TYR 223 Ca -0.13 -0.18 0.00 0.00 -1.41 0.00 0.00 57.07 55.35 3itl s TYR 223 Cb 0.14 0.68 0.00 0.00 -1.10 0.00 0.00 41.96 41.68 3itl s TYR 223 CO 0.75 -1.09 0.00 -1.91 -2.51 0.00 0.00 175.55 170.78 3itl n GLU 224 N -0.45 -0.68 0.06 -3.49 2.13 -1.26 -4.82 120.64 112.14 3itl n GLU 224 Ca -0.06 0.92 0.10 0.00 0.66 0.00 0.00 57.16 58.79 3itl n GLU 224 Cb 0.60 -0.73 0.42 0.00 0.27 0.00 0.00 31.44 32.00 3itl n GLU 224 CO 0.00 0.00 0.00 -0.35 -0.41 0.00 0.00 177.13 176.37 3itl n PRO 225 N 0.23 0.10 -3.02 5.31 -0.04 -1.26 -4.97 135.00 131.35 3itl n PRO 225 Ca 0.00 0.30 -0.40 0.00 -0.04 0.00 0.00 63.50 63.36 3itl n PRO 225 Cb 0.00 -1.68 -0.05 0.00 -0.04 0.00 0.00 33.50 31.74 3itl n PRO 225 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3itl s ALA 226 N -3.14 3.34 -0.91 0.55 0.00 -1.26 -4.97 121.76 115.37 3itl s ALA 226 Ca 0.07 0.18 0.14 0.00 0.00 0.00 0.00 51.96 52.34 3itl s ALA 226 Cb 0.10 -2.97 0.42 0.00 0.00 0.00 0.00 23.12 20.67 3itl s ALA 226 CO 0.36 -0.06 1.35 1.19 0.00 0.00 0.00 175.76 178.60 3itl n PHE 227 N 3.55 0.70 0.05 0.00 3.72 -1.22 -4.56 117.46 119.70 3itl n PHE 227 Ca -0.01 -0.58 0.00 0.00 -0.05 0.00 0.00 57.45 56.81 3itl n PHE 227 Cb 0.51 -0.10 0.00 0.00 -0.94 0.00 0.00 39.48 38.95 3itl n PHE 227 CO 0.00 0.00 0.00 0.98 -0.05 0.00 0.00 176.76 177.69 3itl n TYR 228 N 0.50 -0.56 -4.03 1.38 9.36 -0.33 -4.92 117.16 118.57 3itl n TYR 228 Ca 0.16 0.10 -0.08 0.00 3.32 0.00 0.00 57.90 61.40 3itl n TYR 228 Cb 0.58 0.19 -0.11 0.00 -0.63 0.00 0.00 39.34 39.38 3itl n TYR 228 CO 0.00 0.00 0.00 -1.54 0.22 0.00 0.00 176.86 175.54 3itl s SER 229 N -5.39 0.35 -0.03 2.98 1.04 -0.36 -4.97 113.70 107.30 3itl s SER 229 Ca 0.00 -0.71 0.02 0.00 0.48 0.00 0.00 55.95 55.74 3itl s SER 229 Cb 0.00 0.14 0.01 0.00 0.10 0.00 0.00 66.02 66.27 3itl s SER 229 CO 0.00 -0.43 -0.08 -0.89 0.98 0.00 0.00 173.24 172.82 3itl s THR 230 N -2.51 0.74 0.10 2.02 2.01 -1.26 -0.38 115.64 116.36 3itl s THR 230 Ca -0.06 -0.31 -0.28 0.00 0.31 0.00 0.00 61.69 61.35 3itl s THR 230 Cb -0.02 -0.68 -0.10 0.00 0.01 0.00 0.00 72.50 71.70 3itl s THR 230 CO -0.05 0.24 1.64 0.58 -0.69 0.00 0.00 174.62 176.35 3itl h VAL 231 N 5.61 0.44 -3.26 3.82 2.07 -1.69 -3.04 116.25 120.20 3itl h VAL 231 Ca -0.34 0.00 -0.80 0.00 0.82 0.00 0.00 66.70 66.38 3itl h VAL 231 Cb 1.17 0.44 -0.28 0.00 -1.52 0.00 0.00 31.29 31.10 3itl h VAL 231 CO 0.48 0.00 0.59 0.52 0.02 0.00 0.00 177.57 179.18 3itl n VAL 232 N -5.38 4.88 0.05 2.57 0.31 -1.26 -4.83 118.33 114.67 3itl n VAL 232 Ca -0.08 -5.63 -0.10 0.00 -0.01 0.00 0.00 64.34 58.52 3itl n VAL 232 Cb 0.29 -2.35 -0.13 0.00 -0.91 0.00 0.00 33.84 30.73 3itl n VAL 232 CO 0.00 0.00 0.00 0.06 -1.32 0.00 0.00 176.83 175.57 3itl h GLN 233 N 6.07 0.08 0.00 5.55 -0.00 -1.67 -0.13 115.11 125.02 3itl h GLN 233 Ca 0.19 -0.14 -0.29 0.00 -0.00 0.00 0.00 58.65 58.41 3itl h GLN 233 Cb 0.75 0.05 -0.07 0.00 -0.00 0.00 0.00 27.48 28.21 3itl h GLN 233 CO 1.16 0.96 -0.18 -0.40 -0.00 0.00 0.00 178.83 180.37 3itl n ASP 234 N -3.34 -1.17 0.29 0.06 5.68 -1.26 -2.13 116.55 114.67 3itl n ASP 234 Ca -0.07 -2.80 0.18 0.00 -0.50 0.00 0.00 54.79 51.60 3itl n ASP 234 Cb 0.99 2.24 0.82 0.00 -1.14 0.00 0.00 41.12 44.04 3itl n ASP 234 CO 0.00 0.00 0.00 4.11 -1.33 0.00 0.00 177.20 179.98 3itl h TRP 235 N 1.95 0.00 0.04 2.11 5.08 -1.95 -1.61 115.95 121.56 3itl h TRP 235 Ca -0.25 0.00 -0.00 0.00 1.08 0.00 0.00 58.89 59.72 3itl h TRP 235 Cb 1.11 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 27.27 3itl h TRP 235 CO 0.00 0.03 -0.02 0.78 -1.28 0.00 0.00 178.44 177.95 3itl h GLY 236 N 1.36 -0.05 1.20 11.11 0.00 -1.99 0.32 103.07 115.02 3itl h GLY 236 Ca -0.00 0.02 -0.05 0.00 0.00 0.00 0.00 47.33 47.29 3itl h GLY 236 CO 0.00 -0.02 0.19 -0.84 0.00 0.00 0.00 176.54 175.88 3itl h THR 237 N -0.51 1.25 -0.83 4.70 2.02 -1.90 -2.15 112.91 115.48 3itl h THR 237 Ca -0.00 -0.86 -0.01 0.00 0.77 0.00 0.00 66.41 66.31 3itl h THR 237 Cb 0.47 0.54 -0.04 0.00 -1.74 0.00 0.00 68.15 67.38 3itl h THR 237 CO 0.01 0.33 0.50 -1.13 0.37 0.00 0.00 175.52 175.60 3itl h ASN 238 N 0.97 1.00 -0.50 4.18 -0.73 -1.21 -1.01 115.58 118.28 3itl h ASN 238 Ca 0.21 -0.07 -0.03 0.00 1.87 0.00 0.00 56.30 58.29 3itl h ASN 238 Cb 0.30 -0.25 -0.02 0.00 0.27 0.00 0.00 38.32 38.61 3itl h ASN 238 CO -0.01 0.78 0.21 0.22 -0.37 0.00 0.00 177.43 178.26 3itl h TYR 239 N 1.14 0.76 -0.69 0.67 3.20 -0.48 -1.08 116.97 120.48 3itl h TYR 239 Ca 0.30 -0.05 0.04 0.00 3.14 0.00 0.00 58.73 62.16 3itl h TYR 239 Cb -0.04 -0.23 -0.04 0.00 1.54 0.00 0.00 36.73 37.97 3itl h TYR 239 CO -0.00 0.62 0.46 -0.07 -1.64 0.00 0.00 178.16 177.53 3itl h LEU 240 N 0.67 0.69 0.36 2.82 3.38 -0.78 0.56 115.31 123.01 3itl h LEU 240 Ca 0.17 -0.00 -0.02 0.00 0.09 0.00 0.00 57.88 58.12 3itl h LEU 240 Cb 0.18 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 40.78 3itl h LEU 240 CO -0.02 0.47 -0.17 0.40 0.09 0.00 0.00 178.44 179.21 3itl h ILE 241 N 0.80 0.60 -0.60 1.22 2.04 -0.59 -1.92 117.51 119.05 3itl h ILE 241 Ca 0.28 -0.53 0.02 0.00 1.00 0.00 0.00 64.86 65.63 3itl h ILE 241 Cb 0.13 0.84 -0.03 0.00 -0.74 0.00 0.00 36.82 37.01 3itl h ILE 241 CO -0.08 0.09 0.39 0.00 0.00 0.00 0.00 178.15 178.54 3itl h ALA 242 N -0.34 0.78 -0.66 1.87 0.00 -0.89 -0.46 119.26 119.56 3itl h ALA 242 Ca -0.05 -0.03 -0.04 0.00 0.00 0.00 0.00 54.91 54.79 3itl h ALA 242 Cb 0.53 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 18.07 3itl h ALA 242 CO 0.08 0.15 0.24 0.37 0.00 0.00 0.00 179.25 180.09 3itl h GLN 243 N 0.77 0.98 -0.09 0.00 5.75 -0.95 -2.83 115.11 118.75 3itl h GLN 243 Ca 0.23 -0.18 -0.06 0.00 -0.15 0.00 0.00 58.65 58.49 3itl h GLN 243 Cb -0.04 -0.16 0.00 0.00 1.07 0.00 0.00 27.48 28.35 3itl h GLN 243 CO -0.07 0.82 -0.20 1.15 -2.65 0.00 0.00 178.83 177.88 3itl h THR 244 N 0.95 1.40 -0.27 2.39 2.02 -0.85 -3.35 112.91 115.20 3itl h THR 244 Ca 0.22 -1.50 -0.03 0.00 0.77 0.00 0.00 66.41 65.87 3itl h THR 244 Cb 0.22 2.16 -0.01 0.00 -1.74 0.00 0.00 68.15 68.78 3itl h THR 244 CO -0.01 0.43 0.07 -0.07 0.37 0.00 0.00 175.52 176.30 3itl h LEU 245 N -0.17 0.41 0.00 2.58 3.38 -1.06 -3.50 115.31 116.96 3itl h LEU 245 Ca 0.00 -0.23 0.00 0.00 0.09 0.00 0.00 57.88 57.74 3itl h LEU 245 Cb 0.79 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 41.43 3itl h LEU 245 CO 0.04 0.54 0.00 0.61 0.09 0.00 0.00 178.44 179.72 3itl n GLY 246 N -0.54 1.03 0.40 0.83 0.00 -1.07 -4.92 105.19 100.92 3itl n GLY 246 Ca -0.03 -1.75 0.20 0.00 0.00 0.00 0.00 46.02 44.44 3itl n GLY 246 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 3itl h PRO 247 N 0.00 0.34 -0.00 1.61 0.11 -1.92 -0.68 132.00 131.47 3itl h PRO 247 Ca 0.00 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 66.09 3itl h PRO 247 Cb 0.00 -0.08 0.00 0.00 0.11 0.00 0.00 31.00 31.03 3itl h PRO 247 CO 0.00 0.22 -0.09 1.63 -0.21 0.00 0.00 178.00 179.55 3itl n LYS 248 N -4.48 0.05 -3.48 1.05 5.02 -1.26 -4.79 118.16 110.27 3itl n LYS 248 Ca 0.18 -0.01 -0.37 0.00 -2.02 0.00 0.00 58.31 56.09 3itl n LYS 248 Cb 0.70 -1.50 -0.07 0.00 -0.02 0.00 0.00 35.03 34.13 3itl n LYS 248 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3itl s ALA 249 N -2.95 3.57 0.25 7.82 0.00 -0.26 -0.64 121.76 129.54 3itl s ALA 249 Ca 0.15 -0.51 0.01 0.00 0.00 0.00 0.00 51.96 51.62 3itl s ALA 249 Cb 0.19 -2.49 -0.04 0.00 0.00 0.00 0.00 23.12 20.78 3itl s ALA 249 CO 0.55 -0.09 0.15 -0.65 0.00 0.00 0.00 175.76 175.72 3itl s GLN 250 N 0.85 1.40 -0.13 0.00 -0.21 -0.29 -4.73 119.66 116.55 3itl s GLN 250 Ca 0.17 -1.77 -0.06 0.00 0.02 0.00 0.00 55.36 53.72 3itl s GLN 250 Cb -0.14 0.09 -0.04 0.00 1.00 0.00 0.00 33.01 33.93 3itl s GLN 250 CO 0.06 -0.42 0.10 0.00 -2.12 0.00 0.00 175.29 172.91 3itl s LEU 252 N -0.68 3.77 -0.33 0.00 0.20 -0.24 -0.08 118.68 121.32 3itl s LEU 252 Ca 0.13 0.07 -0.09 0.00 0.69 0.00 0.00 54.13 54.93 3itl s LEU 252 Cb -0.12 -1.95 0.01 0.00 -0.43 0.00 0.00 46.19 43.71 3itl s LEU 252 CO 0.02 0.19 0.15 -0.69 -0.29 0.00 0.00 176.35 175.73 3itl s VAL 253 N 0.29 4.39 -0.29 1.68 1.01 -0.22 -4.06 120.40 123.19 3itl s VAL 253 Ca 0.03 -0.67 -0.11 0.00 0.00 0.00 0.00 61.98 61.23 3itl s VAL 253 Cb -0.12 -3.33 -0.03 0.00 0.00 0.00 0.00 36.38 32.89 3itl s VAL 253 CO 0.00 -0.04 0.18 -0.62 0.00 0.00 0.00 175.10 174.62 3itl s ASP 254 N 1.55 5.81 0.39 3.32 -1.08 -1.26 -0.74 116.67 124.66 3itl s ASP 254 Ca 0.03 -0.22 0.16 0.00 -0.52 0.00 0.00 52.55 52.00 3itl s ASP 254 Cb -0.18 -2.07 1.03 0.00 -1.46 0.00 0.00 42.92 40.24 3itl s ASP 254 CO 0.05 -0.11 1.81 -0.07 0.52 0.00 0.00 175.17 177.37 3itl h LEU 255 N 8.37 0.49 -1.72 -1.34 3.38 -1.76 -1.74 115.31 120.99 3itl h LEU 255 Ca -0.34 0.07 0.00 0.00 0.09 0.00 0.00 57.88 57.69 3itl h LEU 255 Cb 1.17 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 41.90 3itl h LEU 255 CO 0.58 0.16 0.00 0.61 0.09 0.00 0.00 178.44 179.88 3itl n GLY 256 N -1.47 1.28 1.84 0.83 0.00 -1.26 -4.25 105.19 102.15 3itl n GLY 256 Ca 0.22 -0.44 0.02 0.00 0.00 0.00 0.00 46.02 45.82 3itl n GLY 256 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 3itl n HIS 257 N 0.55 2.12 -4.36 1.61 8.25 -0.65 -3.45 115.22 119.29 3itl n HIS 257 Ca 0.14 -0.95 -0.23 0.00 -0.26 0.00 0.00 57.72 56.41 3itl n HIS 257 Cb 0.46 -0.57 -0.08 0.00 1.12 0.00 0.00 29.99 30.92 3itl n HIS 257 CO 0.00 0.00 0.00 -1.01 0.64 0.00 0.00 176.34 175.97 3itl s HIS 258 N -2.88 2.54 0.77 4.41 3.76 -1.26 -2.44 115.29 120.19 3itl s HIS 258 Ca 0.54 -0.28 -0.13 0.00 -0.15 0.00 0.00 55.06 55.04 3itl s HIS 258 Cb 0.42 -1.14 0.06 0.00 1.11 0.00 0.00 32.58 33.03 3itl s HIS 258 CO 0.14 0.64 1.17 0.00 -0.85 0.00 0.00 174.74 175.85 3itl s ALA 259 N -2.40 2.02 0.28 -1.40 0.00 -1.26 -4.90 121.76 114.10 3itl s ALA 259 Ca 0.31 0.71 -0.29 0.00 0.00 0.00 0.00 51.96 52.69 3itl s ALA 259 Cb -0.05 -3.43 -0.13 0.00 0.00 0.00 0.00 23.12 19.51 3itl s ALA 259 CO 0.18 -2.00 1.27 -2.30 0.00 0.00 0.00 175.76 172.90 3itl n PRO 260 N -3.12 1.87 -0.85 0.00 -0.02 -1.26 -2.08 135.00 129.54 3itl n PRO 260 Ca 0.12 0.66 0.00 0.00 -2.02 0.00 0.00 63.50 62.26 3itl n PRO 260 Cb 0.51 -2.22 0.00 0.00 -0.02 0.00 0.00 33.50 31.77 3itl n PRO 260 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 3itl n ASN 261 N 1.43 -1.56 -4.72 2.55 3.02 -1.26 -4.99 115.26 109.72 3itl n ASN 261 Ca 0.09 0.00 -0.41 0.00 -0.03 0.00 0.00 54.58 54.22 3itl n ASN 261 Cb 0.33 -1.44 0.00 0.00 -0.61 0.00 0.00 39.78 38.06 3itl n ASN 261 CO 0.00 0.00 0.00 0.41 -2.62 0.00 0.00 177.26 175.05 3itl n THR 262 N -2.19 2.24 -2.90 3.41 -1.04 -0.88 -4.90 114.28 108.01 3itl n THR 262 Ca 0.00 -0.50 -0.44 0.00 -2.04 0.00 0.00 64.05 61.07 3itl n THR 262 Cb 0.08 -1.68 -0.03 0.00 -1.82 0.00 0.00 70.33 66.88 3itl n THR 262 CO 0.00 0.00 0.00 0.21 -0.64 0.00 0.00 175.07 174.64 3itl s ASN 263 N -0.35 6.42 0.18 8.00 3.84 -1.26 -4.87 114.94 126.90 3itl s ASN 263 Ca 0.57 -1.59 -0.07 0.00 0.21 0.00 0.00 52.86 51.99 3itl s ASN 263 Cb -0.52 -2.40 0.07 0.00 -0.55 0.00 0.00 41.25 37.85 3itl s ASN 263 CO 0.61 -1.22 1.52 0.40 -2.79 0.00 0.00 177.10 175.62 3itl h ILE 264 N 5.92 1.29 0.00 -5.21 2.04 -1.98 -3.03 117.51 116.53 3itl h ILE 264 Ca -0.04 -1.59 -0.01 0.00 1.00 0.00 0.00 64.86 64.22 3itl h ILE 264 Cb 1.05 1.48 -0.00 0.00 -0.74 0.00 0.00 36.82 38.60 3itl h ILE 264 CO 1.14 0.52 -0.06 1.05 0.00 0.00 0.00 178.15 180.80 3itl h GLU 265 N 0.62 0.00 -0.23 2.37 9.09 -1.91 -1.34 114.58 123.19 3itl h GLU 265 Ca 0.05 0.00 -0.19 0.00 0.05 0.00 0.00 59.36 59.27 3itl h GLU 265 Cb 0.96 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.06 3itl h GLU 265 CO 0.09 0.06 -0.60 1.98 0.05 0.00 0.00 179.01 180.59 3itl h MET 266 N 0.00 0.77 -0.73 1.06 4.05 -1.93 -2.14 114.93 116.00 3itl h MET 266 Ca -0.00 -0.52 0.02 0.00 -0.28 0.00 0.00 59.70 58.92 3itl h MET 266 Cb 0.13 0.07 -0.04 0.00 -0.80 0.00 0.00 31.60 30.97 3itl h MET 266 CO 0.01 1.14 0.48 0.82 0.23 0.00 0.00 176.91 179.59 3itl h ILE 267 N 0.57 1.15 -0.31 1.77 2.04 -1.26 0.12 117.51 121.60 3itl h ILE 267 Ca -0.00 -0.33 0.02 0.00 1.00 0.00 0.00 64.86 65.55 3itl h ILE 267 Cb 1.20 0.11 -0.03 0.00 -0.74 0.00 0.00 36.82 37.36 3itl h ILE 267 CO 0.13 0.17 0.15 0.58 0.00 0.00 0.00 178.15 179.18 3itl h VAL 268 N 0.96 0.98 -0.62 1.67 2.07 -1.25 -0.84 116.25 119.21 3itl h VAL 268 Ca 0.28 -0.11 0.00 0.00 0.82 0.00 0.00 66.70 67.70 3itl h VAL 268 Cb -0.06 0.64 -0.03 0.00 -1.52 0.00 0.00 31.29 30.32 3itl h VAL 268 CO -0.08 0.06 0.40 0.00 0.02 0.00 0.00 177.57 177.97 3itl h ALA 269 N 1.17 0.79 -0.45 1.67 0.00 -0.68 -1.31 119.26 120.43 3itl h ALA 269 Ca 0.13 -0.05 -0.02 0.00 0.00 0.00 0.00 54.91 54.97 3itl h ALA 269 Cb 0.06 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.57 3itl h ALA 269 CO -0.10 0.23 0.22 0.00 0.00 0.00 0.00 179.25 179.61 3itl h ARG 270 N 0.84 0.65 -0.43 0.00 2.47 -0.60 -0.56 114.38 116.74 3itl h ARG 270 Ca 0.23 -0.09 -0.06 0.00 -1.26 0.00 0.00 59.98 58.79 3itl h ARG 270 Cb -0.08 -0.12 -0.02 0.00 -1.65 0.00 0.00 29.97 28.10 3itl h ARG 270 CO -0.05 0.55 0.01 -0.07 0.56 0.00 0.00 179.97 180.97 3itl h LEU 271 N 0.59 0.66 -0.31 3.04 3.38 -0.88 -2.36 115.31 119.43 3itl h LEU 271 Ca 0.16 -0.14 -0.06 0.00 0.09 0.00 0.00 57.88 57.93 3itl h LEU 271 Cb 0.11 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 40.67 3itl h LEU 271 CO -0.02 0.72 -0.03 0.40 0.09 0.00 0.00 178.44 179.60 3itl h ILE 272 N 0.66 1.27 -0.92 1.22 2.04 -0.92 0.29 117.51 121.15 3itl h ILE 272 Ca 0.13 -1.02 0.11 0.00 1.00 0.00 0.00 64.86 65.08 3itl h ILE 272 Cb 0.39 1.32 -0.07 0.00 -0.74 0.00 0.00 36.82 37.73 3itl h ILE 272 CO 0.01 0.33 0.59 -0.61 0.00 0.00 0.00 178.15 178.48 3itl h GLN 273 N 0.35 0.87 -0.55 2.37 4.15 -0.74 -1.47 115.11 120.09 3itl h GLN 273 Ca 0.08 -0.05 0.00 0.00 0.77 0.00 0.00 58.65 59.45 3itl h GLN 273 Cb 0.49 -0.20 0.00 0.00 0.21 0.00 0.00 27.48 27.99 3itl h GLN 273 CO 0.02 0.58 0.00 1.19 -1.93 0.00 0.00 178.83 178.69 3itl n PHE 274 N -4.55 1.86 -3.06 3.99 3.72 -0.92 -4.96 117.46 113.54 3itl n PHE 274 Ca 0.16 -0.73 -0.22 0.00 -0.05 0.00 0.00 57.45 56.61 3itl n PHE 274 Cb 0.34 -0.45 0.03 0.00 -0.94 0.00 0.00 39.48 38.45 3itl n PHE 274 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3itl n GLY 275 N 0.56 -0.52 0.13 1.37 0.00 -0.55 -4.91 105.19 101.27 3itl n GLY 275 Ca 0.27 0.12 0.09 0.00 0.00 0.00 0.00 46.02 46.49 3itl n GLY 275 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3itl n LYS 276 N -3.92 1.10 -2.78 1.61 4.76 0.97 -4.95 118.16 114.94 3itl n LYS 276 Ca -0.10 -2.35 -0.43 0.00 -2.87 0.00 0.00 58.31 52.57 3itl n LYS 276 Cb 0.61 -1.35 -0.03 0.00 -1.84 0.00 0.00 35.03 32.41 3itl n LYS 276 CO 0.00 0.00 0.00 -1.17 -1.37 0.00 0.00 177.40 174.86 3itl s LEU 277 N -2.46 4.22 0.00 -0.35 2.96 -1.15 -0.68 118.68 121.22 3itl s LEU 277 Ca 0.27 -1.21 -0.21 0.00 -0.22 0.00 0.00 54.13 52.77 3itl s LEU 277 Cb 0.24 -2.46 -0.22 0.00 0.50 0.00 0.00 46.19 44.25 3itl s LEU 277 CO 0.03 -1.43 1.12 1.23 -1.32 0.00 0.00 176.35 175.98 3itl h GLY 278 N 11.61 0.40 0.00 7.98 0.00 -0.78 -3.42 103.07 118.86 3itl h GLY 278 Ca -0.12 -0.65 0.00 0.00 0.00 0.00 0.00 47.33 46.57 3itl h GLY 278 CO 1.21 0.57 0.00 0.61 0.00 0.00 0.00 176.54 178.94 3itl n GLY 279 N 0.92 -1.18 3.28 4.60 0.00 -1.14 -1.27 105.19 110.40 3itl n GLY 279 Ca -0.09 -0.91 -0.21 0.00 0.00 0.00 0.00 46.02 44.81 3itl n GLY 279 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3itl s PHE 280 N -2.50 1.62 -0.29 1.61 0.08 0.93 -1.06 117.98 118.37 3itl s PHE 280 Ca 0.00 -0.49 0.02 0.00 0.12 0.00 0.00 56.93 56.59 3itl s PHE 280 Cb 0.00 -0.85 0.08 0.00 -0.57 0.00 0.00 43.02 41.69 3itl s PHE 280 CO 0.00 0.22 -0.01 -1.01 -0.10 0.00 0.00 175.22 174.32 3itl s HIS 281 N -1.81 2.98 0.17 0.36 3.76 0.08 -1.88 115.29 118.94 3itl s HIS 281 Ca 0.10 -2.33 -0.22 0.00 -0.15 0.00 0.00 55.06 52.46 3itl s HIS 281 Cb -0.07 -2.17 -0.08 0.00 1.11 0.00 0.00 32.58 31.38 3itl s HIS 281 CO 0.04 -0.88 0.71 -0.06 -0.85 0.00 0.00 174.74 173.71 3itl s PHE 282 N 1.19 3.79 0.00 1.40 0.08 0.13 -2.23 117.98 122.33 3itl s PHE 282 Ca 0.02 1.46 0.00 0.00 0.12 0.00 0.00 56.93 58.53 3itl s PHE 282 Cb -0.19 -2.65 0.00 0.00 -0.57 0.00 0.00 43.02 39.61 3itl s PHE 282 CO -0.09 0.46 0.00 0.27 -0.10 0.00 0.00 175.22 175.76 3itl n ASN 283 N 1.28 0.00 -4.38 1.36 0.23 -1.26 -1.13 115.26 111.36 3itl n ASN 283 Ca -0.05 0.00 -0.19 0.00 -0.53 0.00 0.00 54.58 53.81 3itl n ASN 283 Cb 0.50 0.00 -0.10 0.00 -2.08 0.00 0.00 39.78 38.10 3itl n ASN 283 CO 0.00 0.00 0.00 -0.62 -0.93 0.00 0.00 177.26 175.71 3itl s ASP 284 N 0.00 2.00 0.09 0.53 -1.08 0.08 -4.59 116.67 113.71 3itl s ASP 284 Ca 0.00 -1.31 -0.26 0.00 -0.52 0.00 0.00 52.55 50.46 3itl s ASP 284 Cb 0.00 -0.01 0.08 0.00 -1.46 0.00 0.00 42.92 41.52 3itl s ASP 284 CO 0.00 -0.57 0.94 -0.94 0.52 0.00 0.00 175.17 175.11 3itl s SER 285 N -3.39 -0.25 0.00 -0.34 1.04 -1.26 -1.20 113.70 108.30 3itl s SER 285 Ca 0.33 -0.25 0.00 0.00 0.48 0.00 0.00 55.95 56.52 3itl s SER 285 Cb 0.07 0.44 0.00 0.00 0.10 0.00 0.00 66.02 66.64 3itl s SER 285 CO 0.12 -0.79 0.00 1.17 0.98 0.00 0.00 173.24 174.73 3itl n LYS 286 N -0.39 1.46 -0.00 4.02 4.81 -1.26 -4.76 118.16 122.05 3itl n LYS 286 Ca -0.07 0.00 -0.04 0.00 -0.87 0.00 0.00 58.31 57.33 3itl n LYS 286 Cb 0.61 -0.69 -0.01 0.00 0.02 0.00 0.00 35.03 34.96 3itl n LYS 286 CO 0.00 0.00 0.00 0.66 1.17 0.00 0.00 177.40 179.23 3itl n TYR 287 N -1.09 0.00 0.00 5.64 4.01 -1.26 -5.09 117.16 119.36 3itl n TYR 287 Ca 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.74 3itl n TYR 287 Cb 0.19 -0.17 0.00 0.00 -0.31 0.00 0.00 39.34 39.05 3itl n TYR 287 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3itl n GLY 288 N 2.84 5.35 2.66 2.72 0.00 -1.26 -4.91 105.19 112.59 3itl n GLY 288 Ca -0.07 -0.90 -0.41 0.00 0.00 0.00 0.00 46.02 44.64 3itl n GLY 288 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 3itl n ASP 289 N 0.00 6.31 0.28 1.61 2.03 -1.22 -4.73 116.55 120.83 3itl n ASP 289 Ca 0.00 -3.04 0.14 0.00 0.52 0.00 0.00 54.79 52.42 3itl n ASP 289 Cb 0.00 -1.47 0.83 0.00 -0.72 0.00 0.00 41.12 39.77 3itl n ASP 289 CO 0.00 0.00 0.00 0.44 -1.92 0.00 0.00 177.20 175.72 3itl h ASP 290 N 5.31 0.00 -5.79 1.67 3.32 -1.83 -3.47 116.42 115.63 3itl h ASP 290 Ca 0.57 0.00 -0.43 0.00 0.02 0.00 0.00 57.03 57.18 3itl h ASP 290 Cb 0.49 0.00 0.02 0.00 0.22 0.00 0.00 39.33 40.06 3itl h ASP 290 CO 1.63 0.06 -0.69 0.47 -1.72 0.00 0.00 179.24 178.99 3itl n ASP 291 N -3.66 -5.37 -4.91 6.45 8.00 -1.23 -4.78 116.55 111.05 3itl n ASP 291 Ca -0.02 -0.59 -0.27 0.00 0.71 0.00 0.00 54.79 54.61 3itl n ASP 291 Cb 0.17 -4.29 0.06 0.00 -0.02 0.00 0.00 41.12 37.05 3itl n ASP 291 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 3itl s LEU 292 N -7.12 2.82 0.15 0.64 1.43 -0.34 -1.27 118.68 114.98 3itl s LEU 292 Ca 0.56 0.69 -0.34 0.00 -1.03 0.00 0.00 54.13 54.01 3itl s LEU 292 Cb -0.27 -3.35 -0.13 0.00 0.03 0.00 0.00 46.19 42.47 3itl s LEU 292 CO 0.69 -1.55 1.63 0.47 0.23 0.00 0.00 176.35 177.82 3itl n ASP 293 N -2.98 3.28 -4.60 2.29 9.92 -1.26 -0.74 116.55 122.45 3itl n ASP 293 Ca 0.07 1.07 -0.50 0.00 -0.53 0.00 0.00 54.79 54.90 3itl n ASP 293 Cb 0.60 -1.45 -0.05 0.00 -0.64 0.00 0.00 41.12 39.58 3itl n ASP 293 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 3itl n ALA 294 N 3.77 -0.53 -0.56 2.24 0.00 -1.26 -1.57 120.51 122.60 3itl n ALA 294 Ca 0.17 0.49 0.00 0.00 0.00 0.00 0.00 53.44 54.11 3itl n ALA 294 Cb 0.30 -2.11 0.00 0.00 0.00 0.00 0.00 19.45 17.64 3itl n ALA 294 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3itl n GLY 295 N 2.55 1.28 0.23 0.00 0.00 -1.26 -4.76 105.19 103.23 3itl n GLY 295 Ca 0.17 0.00 0.15 0.00 0.00 0.00 0.00 46.02 46.35 3itl n GLY 295 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3itl h ALA 296 N 0.00 1.00 0.00 4.61 0.00 -1.65 -3.27 119.26 119.95 3itl h ALA 296 Ca 0.00 0.00 -0.17 0.00 0.00 0.00 0.00 54.91 54.74 3itl h ALA 296 Cb 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 17.76 3itl h ALA 296 CO 0.00 0.00 -1.51 -0.89 0.00 0.00 0.00 179.25 176.85 3itl n ILE 297 N -2.88 0.73 -3.59 0.00 2.08 -1.26 -4.92 119.36 109.51 3itl n ILE 297 Ca 0.02 -0.11 -0.27 0.00 0.56 0.00 0.00 62.75 62.94 3itl n ILE 297 Cb 0.33 -1.69 -0.11 0.00 -0.75 0.00 0.00 39.64 37.43 3itl n ILE 297 CO 0.00 0.00 0.00 -0.62 0.56 0.00 0.00 176.55 176.49 3itl n GLU 298 N -3.57 0.83 0.09 0.38 1.02 -1.26 -4.98 120.64 113.15 3itl n GLU 298 Ca -0.21 -3.69 0.04 0.00 -0.02 0.00 0.00 57.16 53.28 3itl n GLU 298 Cb 0.61 -1.91 0.44 0.00 -0.02 0.00 0.00 31.44 30.56 3itl n GLU 298 CO 0.00 0.00 0.00 -1.00 1.18 0.00 0.00 177.13 177.31 3itl h PRO 299 N 5.53 0.34 -0.50 3.49 0.13 -1.91 -2.86 132.00 136.21 3itl h PRO 299 Ca 0.22 -0.04 -0.11 0.00 -0.87 0.00 0.00 66.00 65.20 3itl h PRO 299 Cb 0.85 -0.07 -0.02 0.00 0.13 0.00 0.00 31.00 31.89 3itl h PRO 299 CO 0.51 0.32 -0.12 -0.92 -0.23 0.00 0.00 178.00 177.55 3itl h TYR 300 N 0.34 1.06 -0.91 1.56 3.20 -1.93 -1.88 116.97 118.41 3itl h TYR 300 Ca 0.08 -0.22 -0.00 0.00 3.14 0.00 0.00 58.73 61.73 3itl h TYR 300 Cb 0.13 -0.26 -0.04 0.00 1.54 0.00 0.00 36.73 38.09 3itl h TYR 300 CO 0.00 1.00 0.55 -0.09 -1.64 0.00 0.00 178.16 177.99 3itl h ARG 301 N 0.84 1.23 -0.53 1.82 2.43 -1.94 0.15 114.38 118.40 3itl h ARG 301 Ca 0.13 -0.11 -0.04 0.00 -0.81 0.00 0.00 59.98 59.16 3itl h ARG 301 Cb 0.67 -0.26 -0.02 0.00 -0.42 0.00 0.00 29.97 29.94 3itl h ARG 301 CO 0.05 0.86 0.18 1.25 -1.51 0.00 0.00 179.97 180.80 3itl h LEU 302 N 1.26 0.75 -0.62 3.80 5.85 -1.40 -1.54 115.31 123.41 3itl h LEU 302 Ca 0.33 -0.19 0.00 0.00 0.84 0.00 0.00 57.88 58.86 3itl h LEU 302 Cb -0.06 -0.20 -0.03 0.00 0.37 0.00 0.00 40.66 40.74 3itl h LEU 302 CO -0.06 0.74 0.40 0.15 -0.34 0.00 0.00 178.44 179.32 3itl h PHE 303 N 0.72 0.79 -0.26 1.25 3.57 -0.50 -1.94 116.94 120.57 3itl h PHE 303 Ca 0.17 0.01 -0.04 0.00 3.53 0.00 0.00 57.97 61.64 3itl h PHE 303 Cb 0.24 -0.26 -0.01 0.00 2.79 0.00 0.00 35.95 38.70 3itl h PHE 303 CO 0.01 0.52 -0.02 -0.07 -2.23 0.00 0.00 178.31 176.52 3itl h LEU 304 N 0.84 0.36 -0.24 0.59 3.38 -0.29 0.21 115.31 120.16 3itl h LEU 304 Ca 0.22 -0.06 -0.06 0.00 0.09 0.00 0.00 57.88 58.07 3itl h LEU 304 Cb -0.07 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 40.58 3itl h LEU 304 CO -0.05 0.44 -0.10 0.58 0.09 0.00 0.00 178.44 179.41 3itl h VAL 305 N 0.38 1.30 0.00 1.22 2.07 -0.92 -2.73 116.25 117.56 3itl h VAL 305 Ca 0.08 -1.15 -0.04 0.00 0.82 0.00 0.00 66.70 66.41 3itl h VAL 305 Cb 0.28 1.54 -0.01 0.00 -1.52 0.00 0.00 31.29 31.59 3itl h VAL 305 CO 0.01 0.36 -0.21 -0.26 0.02 0.00 0.00 177.57 177.48 3itl h PHE 306 N 0.22 0.00 -0.57 1.57 0.04 -0.71 -2.20 116.94 115.30 3itl h PHE 306 Ca 0.06 0.00 -0.05 0.00 2.80 0.00 0.00 57.97 60.78 3itl h PHE 306 Cb 0.58 0.00 -0.03 0.00 2.20 0.00 0.00 35.95 38.71 3itl h PHE 306 CO 0.06 0.21 0.16 -0.97 -0.60 0.00 0.00 178.31 177.17 3itl h ASN 307 N 0.00 0.80 -0.01 2.17 -1.24 -0.30 0.13 115.58 117.14 3itl h ASN 307 Ca -0.00 -0.13 -0.16 0.00 0.71 0.00 0.00 56.30 56.71 3itl h ASN 307 Cb 0.53 -0.21 -0.01 0.00 0.73 0.00 0.00 38.32 39.36 3itl h ASN 307 CO 0.03 0.76 -0.55 -0.33 -1.29 0.00 0.00 177.43 176.06 3itl h GLU 308 N 0.83 0.59 -0.24 6.67 4.39 -1.23 -1.75 114.58 123.83 3itl h GLU 308 Ca 0.19 -0.37 -0.04 0.00 0.34 0.00 0.00 59.36 59.48 3itl h GLU 308 Cb 0.27 0.04 -0.01 0.00 -0.10 0.00 0.00 28.75 28.95 3itl h GLU 308 CO -0.01 0.98 0.01 -0.07 -1.16 0.00 0.00 179.01 178.77 3itl h LEU 309 N 0.45 0.41 -0.86 1.33 3.38 -1.00 -2.52 115.31 116.50 3itl h LEU 309 Ca 0.01 -0.29 -0.10 0.00 0.09 0.00 0.00 57.88 57.58 3itl h LEU 309 Cb 1.10 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 41.72 3itl h LEU 309 CO 0.10 0.60 -0.28 0.58 0.09 0.00 0.00 178.44 179.54 3itl h VAL 310 N 0.20 1.27 -0.82 1.22 2.07 -0.76 0.13 116.25 119.57 3itl h VAL 310 Ca 0.07 -1.34 -0.01 0.00 0.82 0.00 0.00 66.70 66.24 3itl h VAL 310 Cb 0.39 1.38 -0.04 0.00 -1.52 0.00 0.00 31.29 31.49 3itl h VAL 310 CO 0.01 0.43 0.49 -0.78 0.02 0.00 0.00 177.57 177.73 3itl h ASP 311 N 0.46 1.00 -0.13 0.57 1.82 -1.22 0.37 116.42 119.28 3itl h ASP 311 Ca 0.06 -0.07 -0.21 0.00 -0.39 0.00 0.00 57.03 56.42 3itl h ASP 311 Cb 0.72 -0.25 0.01 0.00 0.68 0.00 0.00 39.33 40.49 3itl h ASP 311 CO 0.06 0.78 -0.74 0.00 -1.61 0.00 0.00 179.24 177.73 3itl h ALA 312 N 1.26 0.27 0.00 -0.78 0.00 -1.18 -1.69 119.26 117.14 3itl h ALA 312 Ca 0.29 -0.59 -0.01 0.00 0.00 0.00 0.00 54.91 54.61 3itl h ALA 312 Cb -0.03 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 17.75 3itl h ALA 312 CO -0.05 0.62 -0.05 1.49 0.00 0.00 0.00 179.25 181.26 3itl h GLU 313 N 0.44 0.00 0.01 0.00 4.81 -0.24 -2.37 114.58 117.23 3itl h GLU 313 Ca -0.05 0.00 -0.32 0.00 -0.13 0.00 0.00 59.36 58.85 3itl h GLU 313 Cb 1.37 0.00 -0.05 0.00 0.63 0.00 0.00 28.75 30.70 3itl h GLU 313 CO 0.15 0.05 -1.95 0.00 -0.73 0.00 0.00 179.01 176.53 3itl n ALA 314 N -2.17 1.44 0.65 2.92 0.00 0.12 -4.09 120.51 119.40 3itl n ALA 314 Ca -0.02 -0.92 -0.02 0.00 0.00 0.00 0.00 53.44 52.49 3itl n ALA 314 Cb 0.20 -0.62 0.05 0.00 0.00 0.00 0.00 19.45 19.08 3itl n ALA 314 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3itl n ARG 315 N -3.01 1.43 -2.29 0.00 1.74 -0.65 -4.84 116.66 109.04 3itl n ARG 315 Ca -0.24 -0.52 -0.12 0.00 -0.77 0.00 0.00 57.85 56.20 3itl n ARG 315 Cb 1.08 -1.41 -0.01 0.00 -1.02 0.00 0.00 32.46 31.10 3itl n ARG 315 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3itl n GLY 316 N 0.17 -0.27 3.52 -0.13 0.00 -1.22 -4.80 105.19 102.46 3itl n GLY 316 Ca 0.07 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.69 3itl n GLY 316 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 3itl n VAL 317 N -3.18 0.01 -2.05 1.61 0.31 -0.92 -4.87 118.33 109.24 3itl n VAL 317 Ca -0.14 -0.48 -0.37 0.00 -0.01 0.00 0.00 64.34 63.33 3itl n VAL 317 Cb 0.58 -2.00 0.01 0.00 -0.91 0.00 0.00 33.84 31.53 3itl n VAL 317 CO 0.00 0.00 0.00 -0.54 -1.32 0.00 0.00 176.83 174.97 3itl s LYS 318 N 7.94 3.43 -1.11 5.55 1.02 -1.26 -3.32 119.74 131.99 3itl s LYS 318 Ca 1.10 1.95 -0.05 0.00 0.02 0.00 0.00 55.97 58.99 3itl s LYS 318 Cb -0.59 -2.29 0.01 0.00 -0.52 0.00 0.00 37.83 34.44 3itl s LYS 318 CO 0.37 -0.87 0.95 0.41 -0.92 0.00 0.00 175.35 175.29 3itl n GLY 319 N 0.55 -0.29 2.95 -3.33 0.00 -1.26 -4.98 105.19 98.83 3itl n GLY 319 Ca 0.09 0.08 -0.30 0.00 0.00 0.00 0.00 46.02 45.89 3itl n GLY 319 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 3itl s PHE 320 N -3.28 3.22 -0.42 1.61 5.36 -1.21 -4.96 117.98 118.30 3itl s PHE 320 Ca 0.33 -3.10 0.09 0.00 -0.96 0.00 0.00 56.93 53.29 3itl s PHE 320 Cb -0.14 -2.79 0.29 0.00 -0.34 0.00 0.00 43.02 40.04 3itl s PHE 320 CO 0.62 -0.78 0.66 0.72 -1.46 0.00 0.00 175.22 174.97 3itl n HIS 321 N 3.35 0.60 -1.73 10.12 8.25 -1.26 -5.04 115.22 129.50 3itl n HIS 321 Ca 0.05 -3.75 -0.42 0.00 -0.26 0.00 0.00 57.72 53.34 3itl n HIS 321 Cb 0.34 -0.41 -0.01 0.00 1.12 0.00 0.00 29.99 31.03 3itl n HIS 321 CO 0.00 0.00 0.00 -2.30 0.64 0.00 0.00 176.34 174.68 3itl n PRO 322 N 0.80 2.46 -2.66 -0.41 -0.02 -1.26 -4.93 135.00 128.97 3itl n PRO 322 Ca 0.24 0.87 -0.43 0.00 -2.02 0.00 0.00 63.50 62.16 3itl n PRO 322 Cb 0.55 -2.57 -0.02 0.00 -0.02 0.00 0.00 33.50 31.45 3itl n PRO 322 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3itl s ALA 323 N -0.66 3.58 -0.20 3.55 0.00 -0.40 -4.91 121.76 122.72 3itl s ALA 323 Ca 0.59 0.27 -0.09 0.00 0.00 0.00 0.00 51.96 52.72 3itl s ALA 323 Cb -0.53 -3.51 -0.05 0.00 0.00 0.00 0.00 23.12 19.04 3itl s ALA 323 CO 0.57 -0.88 0.12 -1.01 0.00 0.00 0.00 175.76 174.56 3itl s HIS 324 N 2.74 3.35 -0.03 0.00 3.76 -1.26 -0.05 115.29 123.80 3itl s HIS 324 Ca 0.46 0.24 -0.08 0.00 -0.15 0.00 0.00 55.06 55.53 3itl s HIS 324 Cb -0.17 -2.16 0.01 0.00 1.11 0.00 0.00 32.58 31.37 3itl s HIS 324 CO 0.11 0.20 0.18 -1.64 -0.85 0.00 0.00 174.74 172.74 3itl s MET 325 N 0.52 0.41 -0.09 1.40 -1.94 -0.79 -0.79 119.30 118.03 3itl s MET 325 Ca 0.07 -0.11 -0.15 0.00 -1.71 0.00 0.00 55.69 53.79 3itl s MET 325 Cb -0.12 0.18 -0.05 0.00 2.01 0.00 0.00 34.83 36.85 3itl s MET 325 CO -0.00 -0.09 0.37 0.42 -0.01 0.00 0.00 175.02 175.71 3itl s ILE 326 N -0.80 5.19 -0.35 2.53 1.01 0.31 0.18 121.20 129.27 3itl s ILE 326 Ca -0.09 0.72 -0.00 0.00 0.00 0.00 0.00 60.65 61.28 3itl s ILE 326 Cb -0.05 -3.69 0.13 0.00 0.01 0.00 0.00 42.46 38.86 3itl s ILE 326 CO 0.01 0.47 0.18 0.21 0.00 0.00 0.00 174.94 175.81 3itl s ASN 327 N -0.20 3.39 0.25 3.58 2.47 -0.28 -3.75 114.94 120.39 3itl s ASN 327 Ca 0.21 -2.03 0.01 0.00 0.42 0.00 0.00 52.86 51.48 3itl s ASN 327 Cb -0.15 -0.60 -0.05 0.00 -1.45 0.00 0.00 41.25 39.00 3itl s ASN 327 CO 0.09 -0.34 0.08 -1.10 -3.72 0.00 0.00 177.10 172.11 3itl s GLN 328 N 1.19 1.37 -0.08 0.43 -0.21 -1.26 -4.54 119.66 116.56 3itl s GLN 328 Ca 0.15 -1.73 0.02 0.00 0.02 0.00 0.00 55.36 53.82 3itl s GLN 328 Cb -0.21 -0.27 0.01 0.00 1.00 0.00 0.00 33.01 33.54 3itl s GLN 328 CO -0.10 -0.27 -0.12 0.45 -2.12 0.00 0.00 175.29 173.13 3itl s SER 329 N -3.29 1.93 -0.45 5.90 0.15 -0.40 -4.69 113.70 112.84 3itl s SER 329 Ca 0.36 -0.32 -0.06 0.00 0.70 0.00 0.00 55.95 56.63 3itl s SER 329 Cb 0.08 -0.87 0.12 0.00 -1.71 0.00 0.00 66.02 63.64 3itl s SER 329 CO 0.12 0.01 0.29 -1.00 1.20 0.00 0.00 173.24 173.86 3itl s HIS 330 N 0.85 3.52 -0.13 3.44 0.09 -1.26 -4.61 115.29 117.18 3itl s HIS 330 Ca -0.11 -2.22 0.19 0.00 -0.00 0.00 0.00 55.06 52.93 3itl s HIS 330 Cb -0.15 -3.34 -0.18 0.00 -0.00 0.00 0.00 32.58 28.90 3itl s HIS 330 CO 0.01 -0.97 0.66 0.09 -0.00 0.00 0.00 174.74 174.53 3itl n ASN 331 N 4.63 0.50 -0.68 1.40 3.02 -1.26 -1.38 115.26 121.49 3itl n ASN 331 Ca -0.04 0.21 0.04 0.00 -0.03 0.00 0.00 54.58 54.76 3itl n ASN 331 Cb 0.41 0.82 0.06 0.00 -0.61 0.00 0.00 39.78 40.46 3itl n ASN 331 CO 0.00 0.00 0.00 1.33 -2.62 0.00 0.00 177.26 175.97 3itl n VAL 332 N -2.66 0.65 -4.15 2.41 0.24 -1.26 -4.80 118.33 108.75 3itl n VAL 332 Ca -0.10 -1.10 -0.11 0.00 -2.04 0.00 0.00 64.34 60.99 3itl n VAL 332 Cb 0.76 0.39 -0.09 0.00 -1.47 0.00 0.00 33.84 33.43 3itl n VAL 332 CO 0.00 0.00 0.00 0.42 -2.14 0.00 0.00 176.83 175.11 3itl s THR 333 N -0.97 0.00 -0.27 3.34 -4.23 -1.26 -5.10 115.64 107.15 3itl s THR 333 Ca 0.20 -1.86 -0.29 0.00 -1.18 0.00 0.00 61.69 58.56 3itl s THR 333 Cb 0.20 -2.42 -0.00 0.00 1.34 0.00 0.00 72.50 71.62 3itl s THR 333 CO -0.05 -0.01 1.29 -0.62 -0.54 0.00 0.00 174.62 174.69 3itl s ASP 334 N -3.12 6.74 0.28 3.99 -1.08 -1.26 -4.90 116.67 117.31 3itl s ASP 334 Ca 0.35 1.32 -0.01 0.00 -0.52 0.00 0.00 52.55 53.69 3itl s ASP 334 Cb 0.05 -2.54 0.64 0.00 -1.46 0.00 0.00 42.92 39.62 3itl s ASP 334 CO 0.11 -1.01 1.62 -0.65 0.52 0.00 0.00 175.17 175.77 3itl h PRO 335 N 9.04 0.12 -0.81 4.34 0.11 -1.87 -0.57 132.00 142.36 3itl h PRO 335 Ca -0.26 -0.01 -0.01 0.00 0.11 0.00 0.00 66.00 65.83 3itl h PRO 335 Cb 1.10 -0.03 -0.04 0.00 0.11 0.00 0.00 31.00 32.14 3itl h PRO 335 CO 1.02 0.08 0.47 0.82 -0.21 0.00 0.00 178.00 180.18 3itl h ILE 336 N 0.13 1.23 -0.40 4.15 2.04 -1.86 -0.98 117.51 121.82 3itl h ILE 336 Ca 0.52 -0.55 -0.06 0.00 1.00 0.00 0.00 64.86 65.78 3itl h ILE 336 Cb 1.03 0.13 -0.01 0.00 -0.74 0.00 0.00 36.82 37.23 3itl h ILE 336 CO -0.72 0.25 0.02 -0.33 0.00 0.00 0.00 178.15 177.38 3itl h GLU 337 N 1.12 0.68 -0.54 2.37 5.08 -1.52 -1.40 114.58 120.37 3itl h GLU 337 Ca 0.29 -0.21 -0.04 0.00 -1.00 0.00 0.00 59.36 58.41 3itl h GLU 337 Cb -0.00 -0.07 -0.02 0.00 0.50 0.00 0.00 28.75 29.16 3itl h GLU 337 CO -0.05 0.76 0.20 0.77 -1.00 0.00 0.00 179.01 179.69 3itl h SER 338 N 0.52 0.76 -0.07 1.42 0.02 -1.19 -1.42 113.55 113.60 3itl h SER 338 Ca 0.12 -0.18 -0.06 0.00 -0.84 0.00 0.00 61.79 60.82 3itl h SER 338 Cb 0.44 -0.20 -0.01 0.00 0.14 0.00 0.00 62.40 62.76 3itl h SER 338 CO 0.02 0.74 -0.12 -0.07 -1.14 0.00 0.00 176.83 176.26 3itl h LEU 339 N 0.74 0.37 0.27 5.07 3.38 -1.08 0.15 115.31 124.22 3itl h LEU 339 Ca 0.18 -0.09 -0.01 0.00 0.09 0.00 0.00 57.88 58.05 3itl h LEU 339 Cb 0.23 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 40.89 3itl h LEU 339 CO -0.01 0.52 -0.13 0.40 0.09 0.00 0.00 178.44 179.31 3itl h ILE 340 N 0.36 0.77 0.00 1.22 2.04 -0.81 -1.50 117.51 119.59 3itl h ILE 340 Ca 0.07 -0.40 -0.05 0.00 1.00 0.00 0.00 64.86 65.48 3itl h ILE 340 Cb 0.43 1.00 -0.01 0.00 -0.74 0.00 0.00 36.82 37.51 3itl h ILE 340 CO 0.02 0.09 -0.22 0.78 0.00 0.00 0.00 178.15 178.82 3itl h ASN 341 N -0.58 0.00 -0.16 1.72 2.35 -1.06 -1.89 115.58 115.96 3itl h ASN 341 Ca -0.04 0.00 -0.13 0.00 -0.55 0.00 0.00 56.30 55.58 3itl h ASN 341 Cb 0.42 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.79 3itl h ASN 341 CO 0.06 0.22 -0.43 0.28 -1.65 0.00 0.00 177.43 175.91 3itl h SER 342 N 0.00 0.65 -0.54 5.81 0.02 -0.60 -0.83 113.55 118.05 3itl h SER 342 Ca -0.00 -0.58 -0.04 0.00 -0.84 0.00 0.00 61.79 60.32 3itl h SER 342 Cb 0.67 -0.19 -0.03 0.00 0.14 0.00 0.00 62.40 62.99 3itl h SER 342 CO 0.03 1.12 0.20 0.00 -1.14 0.00 0.00 176.83 177.04 3itl h ALA 343 N 0.55 1.25 -0.21 3.77 0.00 -1.10 -1.70 119.26 121.82 3itl h ALA 343 Ca -0.01 -0.18 -0.01 0.00 0.00 0.00 0.00 54.91 54.72 3itl h ALA 343 Cb 1.04 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.59 3itl h ALA 343 CO 0.09 0.54 0.11 -0.91 0.00 0.00 0.00 179.25 179.08 3itl h ASN 344 N 0.85 0.28 -0.57 0.00 -0.26 -1.15 -2.07 115.58 112.65 3itl h ASN 344 Ca 0.20 -0.11 -0.01 0.00 -0.56 0.00 0.00 56.30 55.82 3itl h ASN 344 Cb 0.22 -0.07 -0.03 0.00 -1.06 0.00 0.00 38.32 37.38 3itl h ASN 344 CO -0.01 0.31 0.34 -0.33 -1.06 0.00 0.00 177.43 176.68 3itl h GLU 345 N 0.22 0.79 -0.43 0.81 4.39 -0.72 0.58 114.58 120.22 3itl h GLU 345 Ca 0.07 -0.07 -0.07 0.00 0.34 0.00 0.00 59.36 59.64 3itl h GLU 345 Cb 0.10 -0.17 -0.02 0.00 -0.10 0.00 0.00 28.75 28.57 3itl h GLU 345 CO -0.01 0.57 0.01 0.82 -1.16 0.00 0.00 179.01 179.24 3itl h ILE 346 N 0.81 1.26 0.00 3.13 2.04 -1.08 -0.92 117.51 122.74 3itl h ILE 346 Ca 0.21 -1.02 -0.08 0.00 1.00 0.00 0.00 64.86 64.97 3itl h ILE 346 Cb -0.01 1.07 -0.01 0.00 -0.74 0.00 0.00 36.82 37.13 3itl h ILE 346 CO -0.04 0.35 -0.38 0.03 0.00 0.00 0.00 178.15 178.11 3itl h ARG 347 N 0.60 0.00 -0.14 2.37 3.08 -0.77 -1.89 114.38 117.62 3itl h ARG 347 Ca 0.12 0.00 -0.02 0.00 0.07 0.00 0.00 59.98 60.15 3itl h ARG 347 Cb 0.48 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.52 3itl h ARG 347 CO 0.02 0.38 0.01 -0.09 -1.07 0.00 0.00 179.97 179.22 3itl h ARG 348 N 0.00 0.24 -0.68 0.04 2.43 -0.38 0.74 114.38 116.78 3itl h ARG 348 Ca -0.00 -0.07 -0.03 0.00 -0.81 0.00 0.00 59.98 59.07 3itl h ARG 348 Cb 0.71 -0.02 -0.03 0.00 -0.42 0.00 0.00 29.97 30.21 3itl h ARG 348 CO 0.05 0.45 0.31 0.00 -1.51 0.00 0.00 179.97 179.27 3itl h ALA 349 N 0.78 0.88 -0.19 2.80 0.00 -1.02 -1.18 119.26 121.32 3itl h ALA 349 Ca 0.04 -0.15 -0.01 0.00 0.00 0.00 0.00 54.91 54.79 3itl h ALA 349 Cb 0.34 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.85 3itl h ALA 349 CO 0.01 0.46 0.10 -0.92 0.00 0.00 0.00 179.25 178.89 3itl h TYR 350 N 0.95 0.27 -0.73 0.00 3.20 -1.21 -1.13 116.97 118.32 3itl h TYR 350 Ca 0.23 -0.01 0.01 0.00 3.14 0.00 0.00 58.73 62.10 3itl h TYR 350 Cb 0.15 -0.09 -0.04 0.00 1.54 0.00 0.00 36.73 38.29 3itl h TYR 350 CO 0.01 0.28 0.48 0.00 -1.64 0.00 0.00 178.16 177.29 3itl h ALA 351 N 0.97 0.93 -0.49 1.82 0.00 -0.58 -1.77 119.26 120.14 3itl h ALA 351 Ca 0.07 -0.05 -0.10 0.00 0.00 0.00 0.00 54.91 54.83 3itl h ALA 351 Cb 0.11 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 17.59 3itl h ALA 351 CO -0.01 0.33 -0.08 1.96 0.00 0.00 0.00 179.25 181.45 3itl h GLN 352 N 0.97 0.88 -0.22 0.00 4.20 -1.05 -2.23 115.11 117.66 3itl h GLN 352 Ca 0.27 -0.29 -0.02 0.00 0.06 0.00 0.00 58.65 58.67 3itl h GLN 352 Cb -0.09 -0.07 -0.01 0.00 0.30 0.00 0.00 27.48 27.60 3itl h GLN 352 CO -0.07 0.93 0.06 0.00 -0.67 0.00 0.00 178.83 179.09 3itl h ALA 353 N 1.10 1.71 0.00 3.87 0.00 -0.63 -0.86 119.26 124.46 3itl h ALA 353 Ca 0.14 -0.08 -0.02 0.00 0.00 0.00 0.00 54.91 54.94 3itl h ALA 353 Cb 0.59 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 18.28 3itl h ALA 353 CO 0.04 0.23 -0.09 -0.07 0.00 0.00 0.00 179.25 179.35 3itl h LEU 354 N 0.30 0.00 0.00 0.00 3.38 -0.72 -2.93 115.31 115.35 3itl h LEU 354 Ca 0.08 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.05 3itl h LEU 354 Cb 0.10 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.85 3itl h LEU 354 CO -0.01 0.09 -0.10 0.18 0.09 0.00 0.00 178.44 178.70 3itl n LEU 355 N -3.27 0.76 -4.72 1.67 4.77 -0.33 -4.88 117.00 111.00 3itl n LEU 355 Ca -0.00 0.52 -0.42 0.00 -0.03 0.00 0.00 56.01 56.08 3itl n LEU 355 Cb 0.32 -0.31 -0.03 0.00 -2.33 0.00 0.00 43.42 41.08 3itl n LEU 355 CO 0.29 -0.15 1.35 -0.69 -1.33 0.00 0.00 177.39 176.86 3itl s VAL 356 N -3.10 2.06 -0.92 4.08 1.01 -1.11 -4.79 120.40 117.62 3itl s VAL 356 Ca 0.10 0.04 -0.24 0.00 0.00 0.00 0.00 61.98 61.88 3itl s VAL 356 Cb 0.13 -3.03 0.05 0.00 0.00 0.00 0.00 36.38 33.53 3itl s VAL 356 CO 0.61 0.00 1.37 -0.62 0.00 0.00 0.00 175.10 176.46 3itl s ASP 357 N 1.10 6.39 0.27 3.32 -1.08 -1.26 -4.85 116.67 120.56 3itl s ASP 357 Ca 0.73 -1.16 -0.02 0.00 -0.52 0.00 0.00 52.55 51.58 3itl s ASP 357 Cb -0.49 -2.55 0.41 0.00 -1.46 0.00 0.00 42.92 38.82 3itl s ASP 357 CO 0.34 -1.59 1.90 0.03 0.52 0.00 0.00 175.17 176.37 3itl h ARG 358 N 9.82 1.14 -0.19 4.34 2.47 -1.96 0.25 114.38 130.26 3itl h ARG 358 Ca 0.04 -0.07 -0.02 0.00 -1.26 0.00 0.00 59.98 58.67 3itl h ARG 358 Cb 1.02 -0.26 -0.01 0.00 -1.65 0.00 0.00 29.97 29.08 3itl h ARG 358 CO 1.36 0.76 0.05 0.00 0.56 0.00 0.00 179.97 182.70 3itl h ALA 359 N 1.45 0.25 -0.44 0.04 0.00 -1.99 -0.10 119.26 118.47 3itl h ALA 359 Ca 0.41 -0.14 -0.02 0.00 0.00 0.00 0.00 54.91 55.16 3itl h ALA 359 Cb 0.10 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 17.80 3itl h ALA 359 CO -0.15 -0.12 0.21 0.00 0.00 0.00 0.00 179.25 179.19 3itl h ALA 360 N 0.87 0.56 -0.25 0.00 0.00 -1.87 -1.96 119.26 116.60 3itl h ALA 360 Ca 0.06 -0.11 0.02 0.00 0.00 0.00 0.00 54.91 54.88 3itl h ALA 360 Cb 0.25 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.84 3itl h ALA 360 CO -0.00 0.12 0.11 1.25 0.00 0.00 0.00 179.25 180.73 3itl h LEU 361 N 0.56 0.15 -0.91 0.00 5.85 -0.79 -1.55 115.31 118.63 3itl h LEU 361 Ca 0.15 0.02 0.05 0.00 0.84 0.00 0.00 57.88 58.94 3itl h LEU 361 Cb 0.12 -0.01 -0.06 0.00 0.37 0.00 0.00 40.66 41.08 3itl h LEU 361 CO -0.02 0.12 0.58 -1.28 -0.34 0.00 0.00 178.44 177.50 3itl h SER 362 N 0.24 0.94 -0.44 1.25 0.87 -0.84 -0.63 113.55 114.93 3itl h SER 362 Ca 0.11 0.01 -0.02 0.00 -1.23 0.00 0.00 61.79 60.65 3itl h SER 362 Cb 0.05 -0.20 -0.02 0.00 -0.44 0.00 0.00 62.40 61.79 3itl h SER 362 CO -0.09 0.62 0.20 1.23 -0.53 0.00 0.00 176.83 178.26 3itl h GLY 363 N 1.08 0.69 2.00 5.77 0.00 -0.77 -0.90 103.07 110.95 3itl h GLY 363 Ca 0.38 -0.36 -0.07 0.00 0.00 0.00 0.00 47.33 47.29 3itl h GLY 363 CO -0.15 0.34 -0.32 -0.97 0.00 0.00 0.00 176.54 175.44 3itl h TYR 364 N 0.57 0.00 -0.07 5.60 0.05 -0.80 -1.97 116.97 120.35 3itl h TYR 364 Ca 0.15 0.00 -0.08 0.00 0.05 0.00 0.00 58.73 58.85 3itl h TYR 364 Cb 0.15 0.00 0.00 0.00 1.01 0.00 0.00 36.73 37.89 3itl h TYR 364 CO -0.01 0.32 -0.26 1.96 -1.05 0.00 0.00 178.16 179.13 3itl h GLN 365 N 0.00 0.31 -0.61 4.88 4.20 -0.74 0.22 115.11 123.37 3itl h GLN 365 Ca -0.00 -0.23 -0.03 0.00 0.06 0.00 0.00 58.65 58.45 3itl h GLN 365 Cb 0.70 0.04 -0.03 0.00 0.30 0.00 0.00 27.48 28.49 3itl h GLN 365 CO 0.04 0.86 0.25 0.93 -0.67 0.00 0.00 178.83 180.25 3itl h GLU 366 N -0.18 0.88 -0.50 1.46 4.39 -0.97 -2.15 114.58 117.50 3itl h GLU 366 Ca -0.01 -0.13 0.00 0.00 0.34 0.00 0.00 59.36 59.56 3itl h GLU 366 Cb 0.89 -0.16 0.00 0.00 -0.10 0.00 0.00 28.75 29.38 3itl h GLU 366 CO 0.05 0.71 0.00 -0.40 -1.16 0.00 0.00 179.01 178.21 3itl n ASP 367 N -4.33 2.67 -3.84 1.42 5.68 -0.76 -4.93 116.55 112.47 3itl n ASP 367 Ca 0.05 -2.09 -0.28 0.00 -0.50 0.00 0.00 54.79 51.96 3itl n ASP 367 Cb 0.16 -0.35 0.04 0.00 -1.14 0.00 0.00 41.12 39.82 3itl n ASP 367 CO 0.00 0.00 0.00 0.59 -1.33 0.00 0.00 177.20 176.46 3itl n ASN 368 N 0.75 -4.97 -4.27 -1.12 4.13 -0.81 -4.90 115.26 104.08 3itl n ASN 368 Ca 0.15 -0.73 -0.44 0.00 1.68 0.00 0.00 54.58 55.25 3itl n ASN 368 Cb 0.46 -4.15 0.00 0.00 -1.54 0.00 0.00 39.78 34.55 3itl n ASN 368 CO 0.00 0.00 0.00 -0.67 0.28 0.00 0.00 177.26 176.87 3itl n ASP 369 N -2.89 5.51 -0.17 6.41 -0.08 0.72 -4.86 116.55 121.19 3itl n ASP 369 Ca 0.02 -3.08 -0.02 0.00 -1.51 0.00 0.00 54.79 50.20 3itl n ASP 369 Cb 0.54 -1.44 0.08 0.00 2.34 0.00 0.00 41.12 42.64 3itl n ASP 369 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 3itl h ALA 370 N 6.51 0.62 -0.12 -1.67 0.00 -1.91 -0.22 119.26 122.48 3itl h ALA 370 Ca 0.26 0.09 0.01 0.00 0.00 0.00 0.00 54.91 55.27 3itl h ALA 370 Cb 0.80 0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.68 3itl h ALA 370 CO 1.22 -0.27 0.03 1.25 0.00 0.00 0.00 179.25 181.48 3itl h LEU 371 N 0.29 0.01 -0.88 0.00 6.46 -1.96 -0.71 115.31 118.53 3itl h LEU 371 Ca 0.26 0.02 -0.10 0.00 -0.12 0.00 0.00 57.88 57.93 3itl h LEU 371 Cb 0.34 0.02 -0.01 0.00 -0.73 0.00 0.00 40.66 40.27 3itl h LEU 371 CO -0.31 0.03 -0.50 0.24 -0.62 0.00 0.00 178.44 177.28 3itl h MET 372 N 0.08 0.00 -0.16 1.25 2.86 -1.91 -1.22 114.93 115.83 3itl h MET 372 Ca 0.05 0.00 -0.02 0.00 -2.06 0.00 0.00 59.70 57.67 3itl h MET 372 Cb 0.04 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 31.69 3itl h MET 372 CO -0.06 0.50 0.02 0.00 1.06 0.00 0.00 176.91 178.43 3itl h ALA 373 N 1.50 0.21 -0.32 6.32 0.00 -0.68 0.49 119.26 126.78 3itl h ALA 373 Ca -0.00 -0.17 -0.12 0.00 0.00 0.00 0.00 54.91 54.62 3itl h ALA 373 Cb 0.98 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.70 3itl h ALA 373 CO 0.06 -0.12 -0.28 0.00 0.00 0.00 0.00 179.25 178.91 3itl h THR 374 N 0.04 1.28 0.00 0.00 1.03 -1.05 -2.45 112.91 111.75 3itl h THR 374 Ca 0.05 -1.39 -0.07 0.00 -0.01 0.00 0.00 66.41 64.99 3itl h THR 374 Cb 0.32 1.33 -0.01 0.00 -1.07 0.00 0.00 68.15 68.72 3itl h THR 374 CO 0.00 0.45 -0.34 -0.08 -0.01 0.00 0.00 175.52 175.54 3itl h GLU 375 N 0.57 0.00 -0.48 0.00 4.57 -1.07 -1.36 114.58 116.81 3itl h GLU 375 Ca 0.07 0.00 -0.08 0.00 -1.18 0.00 0.00 59.36 58.17 3itl h GLU 375 Cb 0.77 0.00 -0.02 0.00 -0.16 0.00 0.00 28.75 29.34 3itl h GLU 375 CO 0.06 0.34 -0.04 1.15 -1.18 0.00 0.00 179.01 179.34 3itl h THR 376 N 0.00 1.25 -0.18 0.32 2.02 -0.42 0.01 112.91 115.91 3itl h THR 376 Ca -0.00 -1.09 -0.12 0.00 0.77 0.00 0.00 66.41 65.97 3itl h THR 376 Cb 0.66 0.93 0.00 0.00 -1.74 0.00 0.00 68.15 68.01 3itl h THR 376 CO 0.04 0.38 -0.37 -0.07 0.37 0.00 0.00 175.52 175.87 3itl h LEU 377 N 0.75 0.64 -1.43 2.58 3.38 -1.22 -3.20 115.31 116.80 3itl h LEU 377 Ca 0.14 -0.55 -0.02 0.00 0.09 0.00 0.00 57.88 57.53 3itl h LEU 377 Cb 0.52 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 41.06 3itl h LEU 377 CO 0.03 1.07 0.15 0.11 0.09 0.00 0.00 178.44 179.90 3itl h LYS 378 N 0.23 0.53 -0.17 1.13 1.79 -0.96 -0.75 116.57 118.37 3itl h LYS 378 Ca 0.00 -0.07 -0.01 0.00 -2.18 0.00 0.00 60.65 58.40 3itl h LYS 378 Cb 0.97 -0.10 -0.01 0.00 -1.58 0.00 0.00 32.23 31.51 3itl h LYS 378 CO 0.08 0.44 0.05 0.00 -1.08 0.00 0.00 179.45 178.95 3itl h ARG 379 N 0.53 0.23 0.04 3.15 3.08 -0.99 0.41 114.38 120.84 3itl h ARG 379 Ca 0.13 -0.02 -0.06 0.00 0.07 0.00 0.00 59.98 60.10 3itl h ARG 379 Cb 0.11 -0.05 0.01 0.00 0.08 0.00 0.00 29.97 30.12 3itl h ARG 379 CO -0.01 0.21 -0.29 0.00 -1.07 0.00 0.00 179.97 178.81 3itl h ALA 380 N 1.83 -0.02 -0.52 0.04 0.00 -1.37 -3.31 119.26 115.90 3itl h ALA 380 Ca 0.06 -0.58 -0.03 0.00 0.00 0.00 0.00 54.91 54.36 3itl h ALA 380 Cb 0.08 0.05 -0.03 0.00 0.00 0.00 0.00 17.79 17.89 3itl h ALA 380 CO -0.00 0.14 0.22 -0.92 0.00 0.00 0.00 179.25 178.68 3itl h TYR 381 N -0.80 0.75 0.00 0.00 3.20 -0.81 -2.41 116.97 116.89 3itl h TYR 381 Ca -0.05 -0.03 0.00 0.00 3.14 0.00 0.00 58.73 61.78 3itl h TYR 381 Cb 1.21 -0.23 0.00 0.00 1.54 0.00 0.00 36.73 39.25 3itl h TYR 381 CO 0.25 0.58 0.00 0.00 -1.64 0.00 0.00 178.16 177.35 3itl h ARG 382 N 0.74 0.00 -6.45 1.82 3.08 -0.32 -3.44 114.38 109.82 3itl h ARG 382 Ca 0.18 0.00 -0.54 0.00 0.07 0.00 0.00 59.98 59.69 3itl h ARG 382 Cb 0.14 0.00 0.01 0.00 0.08 0.00 0.00 29.97 30.20 3itl h ARG 382 CO -0.02 0.00 0.80 0.99 -1.07 0.00 0.00 179.97 180.67 3itl s THR 383 N -3.54 3.50 -0.65 2.04 2.01 -0.91 -4.94 115.64 113.15 3itl s THR 383 Ca 0.02 0.99 -0.26 0.00 0.31 0.00 0.00 61.69 62.75 3itl s THR 383 Cb 0.09 -3.63 0.04 0.00 0.01 0.00 0.00 72.50 69.01 3itl s THR 383 CO 0.49 0.03 1.15 -0.62 -0.69 0.00 0.00 174.62 174.98 3itl s ASP 384 N 1.62 6.28 0.00 3.53 2.15 -1.26 -4.86 116.67 124.13 3itl s ASP 384 Ca 0.65 -0.35 0.14 0.00 0.43 0.00 0.00 52.55 53.42 3itl s ASP 384 Cb -0.34 -2.51 0.41 0.00 -0.30 0.00 0.00 42.92 40.17 3itl s ASP 384 CO 0.29 -1.57 1.34 1.33 -0.17 0.00 0.00 175.17 176.39 3itl n VAL 385 N 6.36 0.61 -0.33 1.11 0.24 -1.26 -4.43 118.33 120.63 3itl n VAL 385 Ca 0.03 -0.61 0.10 0.00 -2.04 0.00 0.00 64.34 61.82 3itl n VAL 385 Cb 0.48 0.31 0.27 0.00 -1.47 0.00 0.00 33.84 33.43 3itl n VAL 385 CO 0.00 0.00 0.00 -0.08 -2.14 0.00 0.00 176.83 174.61 3itl h GLU 386 N 2.68 0.74 -0.74 7.34 4.57 -1.98 0.07 114.58 127.26 3itl h GLU 386 Ca 0.00 -0.04 0.03 0.00 -1.18 0.00 0.00 59.36 58.17 3itl h GLU 386 Cb 0.61 -0.17 -0.04 0.00 -0.16 0.00 0.00 28.75 28.99 3itl h GLU 386 CO 0.00 0.49 0.49 -1.35 -1.18 0.00 0.00 179.01 177.46 3itl h PRO 387 N 0.77 0.87 -0.37 0.92 0.11 -1.92 0.83 132.00 133.20 3itl h PRO 387 Ca 0.52 -0.05 -0.11 0.00 0.11 0.00 0.00 66.00 66.47 3itl h PRO 387 Cb 0.72 -0.20 -0.01 0.00 0.11 0.00 0.00 31.00 31.62 3itl h PRO 387 CO -0.35 0.57 -0.19 0.82 -0.21 0.00 0.00 178.00 178.64 3itl h ILE 388 N 0.89 1.28 -0.56 4.15 2.04 -1.34 -0.67 117.51 123.31 3itl h ILE 388 Ca 0.29 -1.33 -0.07 0.00 1.00 0.00 0.00 64.86 64.76 3itl h ILE 388 Cb 0.06 1.34 -0.02 0.00 -0.74 0.00 0.00 36.82 37.46 3itl h ILE 388 CO -0.08 0.44 0.06 -0.07 0.00 0.00 0.00 178.15 178.50 3itl h LEU 389 N 0.59 0.91 -0.42 1.44 3.38 -0.62 -0.82 115.31 119.77 3itl h LEU 389 Ca 0.08 -0.27 -0.13 0.00 0.09 0.00 0.00 57.88 57.65 3itl h LEU 389 Cb 0.75 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 41.24 3itl h LEU 389 CO 0.06 0.95 -0.25 0.00 0.09 0.00 0.00 178.44 179.29 3itl h ALA 390 N 0.99 0.59 -0.51 1.53 0.00 -0.80 -2.26 119.26 118.79 3itl h ALA 390 Ca 0.17 -0.40 -0.11 0.00 0.00 0.00 0.00 54.91 54.57 3itl h ALA 390 Cb 0.45 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.08 3itl h ALA 390 CO 0.02 0.59 -0.10 1.49 0.00 0.00 0.00 179.25 181.25 3itl h GLU 391 N 0.72 0.95 -0.78 0.00 4.57 -1.03 -0.55 114.58 118.47 3itl h GLU 391 Ca 0.09 -0.34 -0.01 0.00 -1.18 0.00 0.00 59.36 57.92 3itl h GLU 391 Cb 0.82 -0.07 -0.04 0.00 -0.16 0.00 0.00 28.75 29.31 3itl h GLU 391 CO 0.07 1.00 0.45 0.00 -1.18 0.00 0.00 179.01 179.36 3itl h ALA 392 N 1.02 0.99 -0.21 2.92 0.00 -1.05 -0.49 119.26 122.45 3itl h ALA 392 Ca 0.14 -0.10 -0.04 0.00 0.00 0.00 0.00 54.91 54.91 3itl h ALA 392 Cb 0.64 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 18.11 3itl h ALA 392 CO 0.04 0.47 -0.03 0.00 0.00 0.00 0.00 179.25 179.74 3itl h ARG 393 N 1.07 0.39 -0.70 0.00 3.08 -1.11 -2.78 114.38 114.34 3itl h ARG 393 Ca 0.28 -0.14 0.03 0.00 0.07 0.00 0.00 59.98 60.22 3itl h ARG 393 Cb -0.01 -0.03 -0.04 0.00 0.08 0.00 0.00 29.97 29.96 3itl h ARG 393 CO -0.05 0.61 0.43 -0.09 -1.07 0.00 0.00 179.97 179.81 3itl h ARG 394 N 0.14 0.82 0.00 0.04 2.43 -0.76 0.89 114.38 117.94 3itl h ARG 394 Ca 0.06 -0.05 0.00 0.00 -0.81 0.00 0.00 59.98 59.18 3itl h ARG 394 Cb 0.45 -0.19 0.00 0.00 -0.42 0.00 0.00 29.97 29.82 3itl h ARG 394 CO 0.02 0.54 0.00 0.54 -1.51 0.00 0.00 179.97 179.56 3itl n ARG 395 N -4.67 0.16 -0.24 0.20 1.74 -0.22 -3.21 116.66 110.41 3itl n ARG 395 Ca 0.07 0.28 0.06 0.00 -0.77 0.00 0.00 57.85 57.49 3itl n ARG 395 Cb 0.09 -1.75 0.17 0.00 -1.02 0.00 0.00 32.46 29.96 3itl n ARG 395 CO 0.00 0.00 0.00 0.25 -1.52 0.00 0.00 177.63 176.36 3itl n THR 396 N -2.04 1.41 -0.39 0.55 -2.24 -0.87 -4.96 114.28 105.75 3itl n THR 396 Ca 0.04 -1.29 0.00 0.00 -2.27 0.00 0.00 64.05 60.53 3itl n THR 396 Cb 0.30 0.26 0.00 0.00 -2.10 0.00 0.00 70.33 68.78 3itl n THR 396 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3itl n GLY 397 N 0.09 0.79 0.00 3.38 0.00 -1.03 -4.99 105.19 103.43 3itl n GLY 397 Ca 0.14 -0.15 0.00 0.00 0.00 0.00 0.00 46.02 46.01 3itl n GLY 397 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3itl n GLY 398 N -2.39 1.93 3.67 -0.02 0.00 0.30 -4.80 105.19 103.88 3itl n GLY 398 Ca 0.00 -2.11 -0.35 0.00 0.00 0.00 0.00 46.02 43.56 3itl n GLY 398 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3itl s ALA 399 N -2.00 3.26 0.18 4.61 0.00 -0.48 -4.20 121.76 123.13 3itl s ALA 399 Ca 0.00 -0.81 -0.13 0.00 0.00 0.00 0.00 51.96 51.02 3itl s ALA 399 Cb 0.00 -1.49 0.12 0.00 0.00 0.00 0.00 23.12 21.75 3itl s ALA 399 CO 0.00 0.55 1.79 0.28 0.00 0.00 0.00 175.76 178.38 3itl h VAL 400 N 4.24 0.97 -3.24 0.00 2.07 -1.88 -3.29 116.25 115.12 3itl h VAL 400 Ca -0.49 -0.17 -0.63 0.00 0.82 0.00 0.00 66.70 66.23 3itl h VAL 400 Cb 1.19 0.42 -0.41 0.00 -1.52 0.00 0.00 31.29 30.98 3itl h VAL 400 CO 0.55 0.09 -0.68 -0.62 0.02 0.00 0.00 177.57 176.94 3itl s ASP 401 N -5.50 4.08 0.17 0.57 -1.08 -1.26 -4.68 116.67 108.96 3itl s ASP 401 Ca -0.13 -2.81 -0.22 0.00 -0.52 0.00 0.00 52.55 48.87 3itl s ASP 401 Cb 0.13 -1.40 0.08 0.00 -1.46 0.00 0.00 42.92 40.27 3itl s ASP 401 CO 0.73 -0.25 1.60 -0.65 0.52 0.00 0.00 175.17 177.12 3itl h PRO 402 N 6.66 -0.21 -0.54 4.34 0.11 -1.85 -1.37 132.00 139.13 3itl h PRO 402 Ca -0.05 0.01 -0.09 0.00 0.11 0.00 0.00 66.00 65.98 3itl h PRO 402 Cb 0.91 0.05 -0.02 0.00 0.11 0.00 0.00 31.00 32.05 3itl h PRO 402 CO 0.60 -0.14 -0.03 0.28 -0.21 0.00 0.00 178.00 178.50 3itl h VAL 403 N -0.22 1.26 -0.68 3.15 2.07 -1.94 -0.20 116.25 119.69 3itl h VAL 403 Ca 0.19 -1.13 -0.02 0.00 0.82 0.00 0.00 66.70 66.56 3itl h VAL 403 Cb 0.52 0.88 -0.03 0.00 -1.52 0.00 0.00 31.29 31.14 3itl h VAL 403 CO -0.55 0.40 0.37 0.00 0.02 0.00 0.00 177.57 177.81 3itl h ALA 404 N 1.09 0.87 -0.48 1.67 0.00 -1.90 -0.53 119.26 119.99 3itl h ALA 404 Ca 0.15 -0.12 -0.11 0.00 0.00 0.00 0.00 54.91 54.84 3itl h ALA 404 Cb 0.55 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 18.05 3itl h ALA 404 CO 0.03 0.40 -0.14 1.15 0.00 0.00 0.00 179.25 180.69 3itl h THR 405 N 0.93 1.27 -0.27 0.00 2.02 -1.06 -0.92 112.91 114.90 3itl h THR 405 Ca 0.24 -1.28 0.03 0.00 0.77 0.00 0.00 66.41 66.17 3itl h THR 405 Cb 0.05 1.10 -0.03 0.00 -1.74 0.00 0.00 68.15 67.53 3itl h THR 405 CO -0.04 0.44 0.08 0.22 0.37 0.00 0.00 175.52 176.59 3itl h TYR 406 N 0.79 0.13 -0.27 3.16 3.20 -0.57 -0.69 116.97 122.72 3itl h TYR 406 Ca 0.12 0.01 -0.10 0.00 3.14 0.00 0.00 58.73 61.90 3itl h TYR 406 Cb 0.70 -0.02 -0.01 0.00 1.54 0.00 0.00 36.73 38.94 3itl h TYR 406 CO 0.05 0.05 -0.27 0.00 -1.64 0.00 0.00 178.16 176.36 3itl h ARG 407 N 0.19 0.53 0.00 1.82 3.08 -0.99 -2.79 114.38 116.22 3itl h ARG 407 Ca 0.12 -0.21 -0.07 0.00 0.07 0.00 0.00 59.98 59.89 3itl h ARG 407 Cb 0.10 -0.03 -0.01 0.00 0.08 0.00 0.00 29.97 30.12 3itl h ARG 407 CO -0.14 0.75 -0.31 0.00 -1.07 0.00 0.00 179.97 179.20 3itl h ALA 408 N 1.25 1.39 0.00 0.04 0.00 -0.58 -2.87 119.26 118.49 3itl h ALA 408 Ca 0.06 -0.28 -0.06 0.00 0.00 0.00 0.00 54.91 54.64 3itl h ALA 408 Cb 0.71 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.44 3itl h ALA 408 CO 0.05 0.39 -0.27 0.66 0.00 0.00 0.00 179.25 180.09 3itl h SER 409 N 0.00 0.00 -0.52 0.00 4.64 -0.87 -3.47 113.55 113.33 3itl h SER 409 Ca -0.00 0.00 -0.17 0.00 -0.47 0.00 0.00 61.79 61.15 3itl h SER 409 Cb 0.58 0.00 -0.06 0.00 -0.31 0.00 0.00 62.40 62.62 3itl h SER 409 CO 0.04 0.27 -0.16 0.61 -0.87 0.00 0.00 176.83 176.71 3itl n GLY 410 N 0.77 0.85 0.16 -0.77 0.00 -1.08 -4.94 105.19 100.17 3itl n GLY 410 Ca 0.02 -0.65 -0.05 0.00 0.00 0.00 0.00 46.02 45.34 3itl n GLY 410 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 3itl h TYR 411 N 0.00 -0.17 -0.44 1.61 3.20 -1.86 -1.83 116.97 117.48 3itl h TYR 411 Ca -0.17 0.03 0.07 0.00 3.14 0.00 0.00 58.73 61.79 3itl h TYR 411 Cb 0.64 0.13 -0.06 0.00 1.54 0.00 0.00 36.73 38.99 3itl h TYR 411 CO 0.23 -0.15 0.11 -0.09 -1.64 0.00 0.00 178.16 176.63 3itl h ARG 412 N 0.01 0.25 -0.44 1.82 9.65 -1.92 -0.67 114.38 123.08 3itl h ARG 412 Ca 0.18 -0.02 -0.02 0.00 -1.10 0.00 0.00 59.98 59.02 3itl h ARG 412 Cb 0.27 -0.06 -0.02 0.00 -1.39 0.00 0.00 29.97 28.77 3itl h ARG 412 CO -0.37 0.17 0.18 0.00 2.80 0.00 0.00 179.97 182.75 3itl h ALA 413 N 1.32 1.49 0.52 2.80 0.00 -1.88 -0.04 119.26 123.48 3itl h ALA 413 Ca 0.21 -0.12 -0.03 0.00 0.00 0.00 0.00 54.91 54.98 3itl h ALA 413 Cb 0.25 -0.18 0.01 0.00 0.00 0.00 0.00 17.79 17.86 3itl h ALA 413 CO -0.25 0.39 -0.25 -0.09 0.00 0.00 0.00 179.25 179.05 3itl h ARG 414 N 0.62 -0.67 0.00 0.00 2.43 -0.34 -2.58 114.38 113.84 3itl h ARG 414 Ca 0.15 0.05 -0.04 0.00 -0.81 0.00 0.00 59.98 59.33 3itl h ARG 414 Cb 0.12 0.15 -0.01 0.00 -0.42 0.00 0.00 29.97 29.82 3itl h ARG 414 CO -0.02 -0.38 -0.18 -0.39 -1.51 0.00 0.00 179.97 177.49 3itl h VAL 415 N -0.89 0.65 -0.08 0.20 -1.51 -1.09 -1.84 116.25 111.69 3itl h VAL 415 Ca -0.07 -0.79 -0.06 0.00 -1.23 0.00 0.00 66.70 64.55 3itl h VAL 415 Cb 0.60 1.50 -0.01 0.00 -2.13 0.00 0.00 31.29 31.26 3itl h VAL 415 CO 0.12 0.18 -0.22 0.00 -1.23 0.00 0.00 177.57 176.42 3itl h ALA 416 N 1.82 1.49 0.00 5.19 0.00 -0.85 -0.73 119.26 126.17 3itl h ALA 416 Ca -0.00 -0.24 -0.03 0.00 0.00 0.00 0.00 54.91 54.63 3itl h ALA 416 Cb 0.49 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 18.20 3itl h ALA 416 CO 0.02 0.37 -0.51 0.00 0.00 0.00 0.00 179.25 179.14 3itl h ALA 417 N 1.65 0.77 0.00 0.00 0.00 -0.94 -3.34 119.26 117.40 3itl h ALA 417 Ca 0.02 -0.15 -0.10 0.00 0.00 0.00 0.00 54.91 54.68 3itl h ALA 417 Cb 0.46 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.25 3itl h ALA 417 CO 0.03 0.18 -1.50 0.39 0.00 0.00 0.00 179.25 178.35 3itl n GLU 418 N -2.97 0.63 -4.11 0.00 1.02 -0.92 -4.95 120.64 109.33 3itl n GLU 418 Ca 0.01 0.09 -0.31 0.00 -0.02 0.00 0.00 57.16 56.94 3itl n GLU 418 Cb 0.60 -1.73 -0.07 0.00 -0.02 0.00 0.00 31.44 30.21 3itl n GLU 418 CO 0.00 0.00 0.00 1.03 1.18 0.00 0.00 177.13 179.34 3itl s ARG 419 N -3.13 2.75 0.75 3.49 0.52 -0.33 -5.10 118.95 117.91 3itl s ARG 419 Ca -0.04 -0.72 -0.15 0.00 -0.52 0.00 0.00 55.73 54.30 3itl s ARG 419 Cb 0.10 -2.66 0.05 0.00 0.52 0.00 0.00 34.95 32.96 3itl s ARG 419 CO 0.83 0.57 1.23 -1.25 0.02 0.00 0.00 175.30 176.69 3itl s PRO 420 N -2.22 1.99 0.59 3.54 0.04 -1.26 -4.76 135.00 132.93 3itl s PRO 420 Ca 0.26 1.83 -0.17 0.00 0.04 0.00 0.00 61.00 62.97 3itl s PRO 420 Cb -0.12 -1.81 -0.03 0.00 0.04 0.00 0.00 34.50 32.58 3itl s PRO 420 CO 0.19 -1.97 1.10 0.00 0.04 0.00 0.00 177.00 176.36 3itl s ALA 421 N -1.92 2.63 0.36 8.56 0.00 -1.26 -4.63 121.76 125.50 3itl s ALA 421 Ca 0.76 0.60 0.08 0.00 0.00 0.00 0.00 51.96 53.40 3itl s ALA 421 Cb -0.31 -3.30 -0.05 0.00 0.00 0.00 0.00 23.12 19.46 3itl s ALA 421 CO 0.46 -0.93 0.12 -1.12 0.00 0.00 0.00 175.76 174.29 3itl s SER 422 N -2.33 4.47 0.00 0.00 0.01 -1.26 -5.08 113.70 109.51 3itl s SER 422 Ca 0.68 -0.92 0.05 0.00 1.31 0.00 0.00 55.95 57.07 3itl s SER 422 Cb -0.20 -0.60 -0.01 0.00 0.21 0.00 0.00 66.02 65.41 3itl s SER 422 CO 0.34 -0.35 -0.16 0.68 0.41 0.00 0.00 173.24 174.17 3itl s VAL 423 N -2.50 1.23 0.65 3.43 -7.23 -1.26 -5.02 120.40 109.70 3itl s VAL 423 Ca 0.38 -0.77 -0.13 0.00 -1.81 0.00 0.00 61.98 59.64 3itl s VAL 423 Cb -0.00 -1.05 -0.01 0.00 0.56 0.00 0.00 36.38 35.88 3itl s VAL 423 CO 0.22 0.26 1.06 0.00 -0.31 0.00 0.00 175.10 176.33 3itl s ALA 424 N -0.50 2.69 0.00 1.32 0.00 -1.26 -4.75 121.76 119.25 3itl s ALA 424 Ca 0.05 0.23 0.00 0.00 0.00 0.00 0.00 51.96 52.24 3itl s ALA 424 Cb -0.07 -3.21 0.00 0.00 0.00 0.00 0.00 23.12 19.85 3itl s ALA 424 CO 0.00 -1.06 0.00 0.41 0.00 0.00 0.00 175.76 175.11 3itl n GLY 425 N -1.50 1.49 2.53 0.00 0.00 -1.05 -5.02 105.19 101.65 3itl n GLY 425 Ca 0.08 -0.82 -0.21 0.00 0.00 0.00 0.00 46.02 45.07 3itl n GLY 425 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3itl n GLY 426 N 0.00 -2.64 0.00 -0.02 0.00 -1.26 -1.67 105.19 99.60 3itl n GLY 426 Ca 0.00 -1.49 0.00 0.00 0.00 0.00 0.00 46.02 44.53 3itl n GLY 426 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3itl n GLY 427 N -2.69 0.98 0.00 -0.02 0.00 -1.13 -3.77 105.19 98.56 3itl n GLY 427 Ca 0.11 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.13 3itl n GLY 427 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3itl n GLY 428 N 0.87 1.05 0.31 -0.02 0.00 -0.91 -4.33 105.19 102.16 3itl n GLY 428 Ca 0.00 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.06 3itl n GLY 428 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 3itl h ILE 429 N 0.00 1.10 0.00 -0.61 2.10 -1.47 -3.50 117.51 115.13 3itl h ILE 429 Ca 0.00 -0.20 0.00 0.00 1.08 0.00 0.00 64.86 65.74 3itl h ILE 429 Cb 0.00 0.52 0.00 0.00 -1.09 0.00 0.00 36.82 36.25 3itl h ILE 429 CO 0.00 0.10 0.00 2.30 -1.08 0.00 0.00 178.15 179.47