#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ito s PHE 4 N 0.00 1.81 0.26 -1.84 0.40 -1.26 -4.91 117.98 112.44 3ito s PHE 4 Ca 0.00 -1.08 -0.02 0.00 -0.60 0.00 0.00 56.93 55.23 3ito s PHE 4 Cb 0.00 -1.38 0.34 0.00 0.51 0.00 0.00 43.02 42.49 3ito s PHE 4 CO 0.00 -0.61 1.77 0.00 0.70 0.00 0.00 175.22 177.08 3ito h ARG 5 N 8.11 0.81 -5.18 0.44 2.47 -1.93 -3.40 114.38 115.70 3ito h ARG 5 Ca -0.28 -0.21 -0.63 0.00 -1.26 0.00 0.00 59.98 57.60 3ito h ARG 5 Cb 1.12 -0.10 -0.18 0.00 -1.65 0.00 0.00 29.97 29.15 3ito h ARG 5 CO 0.43 0.80 -0.59 0.42 0.56 0.00 0.00 179.97 181.59 3ito s ILE 6 N -5.04 4.58 0.02 2.04 -1.09 -1.26 -5.04 121.20 115.41 3ito s ILE 6 Ca -0.10 -0.10 -0.35 0.00 -2.23 0.00 0.00 60.65 57.87 3ito s ILE 6 Cb 0.15 -3.08 -0.14 0.00 -1.58 0.00 0.00 42.46 37.80 3ito s ILE 6 CO 0.81 0.42 1.64 0.00 -1.23 0.00 0.00 174.94 176.59 3ito n ALA 7 N 3.96 0.62 0.15 9.38 0.00 -1.26 -4.84 120.51 128.52 3ito n ALA 7 Ca -0.16 0.40 0.18 0.00 0.00 0.00 0.00 53.44 53.86 3ito n ALA 7 Cb 0.52 -2.33 0.77 0.00 0.00 0.00 0.00 19.45 18.41 3ito n ALA 7 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.50 179.46 3ito h GLN 8 N 6.80 0.00 0.00 0.00 4.20 -1.97 -0.20 115.11 123.95 3ito h GLN 8 Ca -0.47 0.00 -0.14 0.00 0.06 0.00 0.00 58.65 58.11 3ito h GLN 8 Cb 1.28 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 29.04 3ito h GLN 8 CO 0.89 0.00 -0.65 0.38 -0.67 0.00 0.00 178.83 178.79 3ito h ASP 9 N 0.00 0.00 -0.20 1.46 -0.00 -2.00 -2.37 116.42 113.32 3ito h ASP 9 Ca 0.14 0.00 -0.19 0.00 -0.00 0.00 0.00 57.03 56.98 3ito h ASP 9 Cb 0.69 0.00 0.00 0.00 -0.00 0.00 0.00 39.33 40.02 3ito h ASP 9 CO -0.00 0.65 -0.59 0.58 -0.00 0.00 0.00 179.24 179.87 3ito h VAL 10 N 0.00 1.28 -0.17 4.15 2.07 -1.40 -1.46 116.25 120.72 3ito h VAL 10 Ca -0.01 -1.79 -0.02 0.00 0.82 0.00 0.00 66.70 65.70 3ito h VAL 10 Cb 1.28 1.72 -0.01 0.00 -1.52 0.00 0.00 31.29 32.77 3ito h VAL 10 CO 0.08 0.58 0.04 0.58 0.02 0.00 0.00 177.57 178.87 3ito h VAL 11 N 0.60 1.20 -0.81 2.57 2.07 -1.42 -0.72 116.25 119.74 3ito h VAL 11 Ca 0.00 -0.64 -0.03 0.00 0.82 0.00 0.00 66.70 66.85 3ito h VAL 11 Cb 1.19 1.30 -0.04 0.00 -1.52 0.00 0.00 31.29 32.23 3ito h VAL 11 CO 0.13 0.20 0.39 0.00 0.02 0.00 0.00 177.57 178.30 3ito h ALA 12 N 0.85 1.05 0.63 1.67 0.00 -1.44 -1.22 119.26 120.80 3ito h ALA 12 Ca 0.05 -0.16 -0.03 0.00 0.00 0.00 0.00 54.91 54.77 3ito h ALA 12 Cb 0.26 -0.32 0.01 0.00 0.00 0.00 0.00 17.79 17.74 3ito h ALA 12 CO 0.00 0.62 -0.30 -0.09 0.00 0.00 0.00 179.25 179.48 3ito h ARG 13 N 1.16 -0.81 0.00 0.00 2.43 -1.06 -0.11 114.38 115.99 3ito h ARG 13 Ca 0.28 0.06 0.00 0.00 -0.81 0.00 0.00 59.98 59.50 3ito h ARG 13 Cb 0.13 0.18 0.00 0.00 -0.42 0.00 0.00 29.97 29.86 3ito h ARG 13 CO -0.03 -0.53 0.00 0.93 -1.51 0.00 0.00 179.97 178.83 3ito h GLU 14 N -0.88 0.00 0.11 0.20 4.39 -1.05 -1.60 114.58 115.75 3ito h GLU 14 Ca -0.09 0.00 -0.24 0.00 0.34 0.00 0.00 59.36 59.37 3ito h GLU 14 Cb 0.66 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.31 3ito h GLU 14 CO 0.14 0.00 -1.22 -0.91 -1.16 0.00 0.00 179.01 175.86 3ito h ASN 15 N 0.00 0.36 -0.48 1.42 -0.26 -0.95 -3.30 115.58 112.37 3ito h ASN 15 Ca 0.00 -0.86 -0.03 0.00 -0.56 0.00 0.00 56.30 54.85 3ito h ASN 15 Cb 0.28 -0.12 -0.03 0.00 -1.06 0.00 0.00 38.32 37.40 3ito h ASN 15 CO 0.00 1.54 0.21 0.44 -1.06 0.00 0.00 177.43 178.56 3ito h ASP 16 N -0.39 0.68 -0.00 5.81 3.32 -0.68 0.15 116.42 125.31 3ito h ASP 16 Ca -0.26 -0.08 -0.01 0.00 0.02 0.00 0.00 57.03 56.71 3ito h ASP 16 Cb 1.68 -0.17 -0.00 0.00 0.22 0.00 0.00 39.33 41.05 3ito h ASP 16 CO 0.06 0.61 -0.01 -0.09 -1.72 0.00 0.00 179.24 178.09 3ito h ARG 17 N 0.74 0.04 -0.01 3.56 2.43 -1.42 -2.92 114.38 116.80 3ito h ARG 17 Ca 0.18 -0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.35 3ito h ARG 17 Cb 0.14 -0.01 0.00 0.00 -0.42 0.00 0.00 29.97 29.68 3ito h ARG 17 CO -0.02 0.06 -0.02 0.54 -1.51 0.00 0.00 179.97 179.02 3ito n ARG 18 N -4.50 0.52 -0.24 0.20 1.74 -0.78 -4.72 116.66 108.88 3ito n ARG 18 Ca -0.02 -1.00 0.00 0.00 -0.77 0.00 0.00 57.85 56.06 3ito n ARG 18 Cb 0.11 -1.16 0.12 0.00 -1.02 0.00 0.00 32.46 30.51 3ito n ARG 18 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3ito h ALA 19 N 1.80 0.95 0.08 7.54 0.00 -0.52 -2.05 119.26 127.06 3ito h ALA 19 Ca 0.00 0.04 -0.00 0.00 0.00 0.00 0.00 54.91 54.95 3ito h ALA 19 Cb 0.38 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.09 3ito h ALA 19 CO 0.00 -0.01 -0.04 1.03 0.00 0.00 0.00 179.25 180.23 3ito h SER 20 N 0.63 -0.09 -0.67 0.00 0.87 -1.85 -1.20 113.55 111.25 3ito h SER 20 Ca 0.33 -0.02 -0.01 0.00 -1.23 0.00 0.00 61.79 60.86 3ito h SER 20 Cb 0.30 0.02 -0.03 0.00 -0.44 0.00 0.00 62.40 62.25 3ito h SER 20 CO -0.24 -0.04 0.38 0.00 -0.53 0.00 0.00 176.83 176.40 3ito h ALA 21 N 0.80 0.85 -0.85 6.23 0.00 -1.87 -2.30 119.26 122.11 3ito h ALA 21 Ca -0.01 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.81 3ito h ALA 21 Cb 0.10 -0.27 -0.04 0.00 0.00 0.00 0.00 17.79 17.58 3ito h ALA 21 CO 0.02 0.35 0.54 1.25 0.00 0.00 0.00 179.25 181.40 3ito h LEU 22 N 0.91 1.00 -0.99 0.00 5.85 -1.17 -0.14 115.31 120.76 3ito h LEU 22 Ca 0.24 -0.05 -0.01 0.00 0.84 0.00 0.00 57.88 58.89 3ito h LEU 22 Cb 0.01 -0.25 -0.04 0.00 0.37 0.00 0.00 40.66 40.75 3ito h LEU 22 CO -0.04 0.75 0.47 0.50 -0.34 0.00 0.00 178.44 179.78 3ito h LYS 23 N 1.16 1.18 -0.28 1.25 3.64 -0.87 0.26 116.57 122.90 3ito h LYS 23 Ca 0.31 -0.13 -0.07 0.00 -1.27 0.00 0.00 60.65 59.49 3ito h LYS 23 Cb -0.09 -0.23 -0.01 0.00 -0.41 0.00 0.00 32.23 31.49 3ito h LYS 23 CO -0.06 0.85 -0.08 0.93 -2.27 0.00 0.00 179.45 178.82 3ito h GLU 24 N 1.18 0.55 -0.34 1.90 4.39 -0.81 -1.77 114.58 119.68 3ito h GLU 24 Ca 0.30 -0.22 -0.15 0.00 0.34 0.00 0.00 59.36 59.64 3ito h GLU 24 Cb 0.01 -0.03 -0.00 0.00 -0.10 0.00 0.00 28.75 28.63 3ito h GLU 24 CO -0.05 0.76 -0.36 -0.44 -1.16 0.00 0.00 179.01 177.76 3ito h ASP 25 N 0.31 0.91 -0.36 1.42 3.32 -0.71 -2.19 116.42 119.11 3ito h ASP 25 Ca 0.07 -0.47 -0.03 0.00 0.02 0.00 0.00 57.03 56.61 3ito h ASP 25 Cb 0.57 -0.26 -0.01 0.00 0.22 0.00 0.00 39.33 39.84 3ito h ASP 25 CO 0.03 1.20 0.09 0.22 -1.72 0.00 0.00 179.24 179.06 3ito h TYR 26 N 0.64 0.60 -0.57 4.55 3.20 -0.51 -0.97 116.97 123.91 3ito h TYR 26 Ca 0.05 -0.07 -0.08 0.00 3.14 0.00 0.00 58.73 61.78 3ito h TYR 26 Cb 0.95 -0.17 -0.02 0.00 1.54 0.00 0.00 36.73 39.02 3ito h TYR 26 CO 0.07 0.60 0.05 0.93 -1.64 0.00 0.00 178.16 178.17 3ito h GLU 27 N 0.43 0.95 -0.34 1.82 5.08 -1.34 0.94 114.58 122.12 3ito h GLU 27 Ca 0.11 -0.25 -0.04 0.00 -1.00 0.00 0.00 59.36 58.18 3ito h GLU 27 Cb 0.30 -0.11 -0.01 0.00 0.50 0.00 0.00 28.75 29.42 3ito h GLU 27 CO 0.00 0.90 0.05 0.00 -1.00 0.00 0.00 179.01 178.97 3ito h ALA 28 N 1.16 0.45 -0.55 3.43 0.00 -1.23 -1.70 119.26 120.83 3ito h ALA 28 Ca 0.17 -0.20 -0.07 0.00 0.00 0.00 0.00 54.91 54.81 3ito h ALA 28 Cb 0.45 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.08 3ito h ALA 28 CO 0.02 0.16 0.07 1.25 0.00 0.00 0.00 179.25 180.74 3ito h LEU 29 N 0.40 0.84 -0.69 0.00 5.85 -0.94 -1.37 115.31 119.39 3ito h LEU 29 Ca 0.10 -0.19 0.00 0.00 0.84 0.00 0.00 57.88 58.64 3ito h LEU 29 Cb 0.36 -0.22 -0.03 0.00 0.37 0.00 0.00 40.66 41.13 3ito h LEU 29 CO 0.01 0.87 0.45 1.23 -0.34 0.00 0.00 178.44 180.65 3ito h GLY 30 N 1.00 0.98 1.20 3.75 0.00 -0.55 0.65 103.07 110.10 3ito h GLY 30 Ca 0.17 -0.38 -0.13 0.00 0.00 0.00 0.00 47.33 46.99 3ito h GLY 30 CO 0.01 0.37 -0.24 0.00 0.00 0.00 0.00 176.54 176.69 3ito h ALA 31 N 1.24 0.75 -0.23 3.60 0.00 -0.98 -0.08 119.26 123.57 3ito h ALA 31 Ca 0.25 -0.39 -0.03 0.00 0.00 0.00 0.00 54.91 54.75 3ito h ALA 31 Cb -0.09 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.54 3ito h ALA 31 CO -0.05 0.66 0.04 -0.97 0.00 0.00 0.00 179.25 178.93 3ito h ASN 32 N 0.78 0.36 -0.42 0.00 -0.73 -0.87 -1.30 115.58 113.40 3ito h ASN 32 Ca 0.10 -0.25 -0.07 0.00 1.87 0.00 0.00 56.30 57.95 3ito h ASN 32 Cb 0.79 -0.09 -0.02 0.00 0.27 0.00 0.00 38.32 39.27 3ito h ASN 32 CO 0.07 0.52 0.04 -0.07 -0.37 0.00 0.00 177.43 177.61 3ito h LEU 33 N 0.18 0.76 -0.95 0.34 3.38 -0.80 -2.18 115.31 116.05 3ito h LEU 33 Ca 0.07 -0.17 -0.00 0.00 0.09 0.00 0.00 57.88 57.87 3ito h LEU 33 Cb 0.31 -0.20 -0.05 0.00 0.09 0.00 0.00 40.66 40.81 3ito h LEU 33 CO 0.00 0.80 0.58 0.00 0.09 0.00 0.00 178.44 179.92 3ito h ALA 34 N 1.29 1.20 0.00 1.53 0.00 -0.77 0.29 119.26 122.80 3ito h ALA 34 Ca 0.15 -0.10 -0.03 0.00 0.00 0.00 0.00 54.91 54.93 3ito h ALA 34 Cb 0.40 -0.38 -0.00 0.00 0.00 0.00 0.00 17.79 17.81 3ito h ALA 34 CO 0.01 0.65 -0.16 0.00 0.00 0.00 0.00 179.25 179.75 3ito h ARG 35 N 1.30 0.00 -0.49 0.00 3.08 -0.64 -1.24 114.38 116.38 3ito h ARG 35 Ca 0.34 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.39 3ito h ARG 35 Cb -0.08 0.00 0.00 0.00 0.08 0.00 0.00 29.97 29.97 3ito h ARG 35 CO -0.07 0.16 0.00 0.54 -1.07 0.00 0.00 179.97 179.53 3ito n ARG 36 N -3.95 2.15 -1.90 0.04 1.74 0.25 -4.92 116.66 110.07 3ito n ARG 36 Ca -0.02 -1.76 -0.08 0.00 -0.77 0.00 0.00 57.85 55.22 3ito n ARG 36 Cb 0.24 -1.39 -0.01 0.00 -1.02 0.00 0.00 32.46 30.29 3ito n ARG 36 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3ito n GLY 37 N 1.27 0.30 3.23 -0.13 0.00 -0.47 -5.03 105.19 104.36 3ito n GLY 37 Ca 0.16 -0.59 -0.30 0.00 0.00 0.00 0.00 46.02 45.30 3ito n GLY 37 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3ito s VAL 38 N -2.37 1.86 -0.46 1.61 1.01 0.75 -4.99 120.40 117.82 3ito s VAL 38 Ca 0.00 -0.96 -0.20 0.00 0.00 0.00 0.00 61.98 60.81 3ito s VAL 38 Cb 0.00 -1.57 0.03 0.00 0.00 0.00 0.00 36.38 34.84 3ito s VAL 38 CO 0.00 0.52 0.64 -0.62 0.00 0.00 0.00 175.10 175.65 3ito s ASP 39 N -0.18 6.30 0.43 3.32 -1.08 -1.26 -2.81 116.67 121.38 3ito s ASP 39 Ca -0.01 -0.48 0.14 0.00 -0.52 0.00 0.00 52.55 51.68 3ito s ASP 39 Cb -0.12 -2.31 1.03 0.00 -1.46 0.00 0.00 42.92 40.05 3ito s ASP 39 CO 0.02 -0.82 1.95 -0.29 0.52 0.00 0.00 175.17 176.56 3ito h ILE 40 N 5.87 0.85 -0.72 4.11 2.10 -1.93 -0.79 117.51 127.01 3ito h ILE 40 Ca -0.26 -0.15 -0.02 0.00 1.08 0.00 0.00 64.86 65.51 3ito h ILE 40 Cb 1.09 0.39 -0.03 0.00 -1.09 0.00 0.00 36.82 37.18 3ito h ILE 40 CO 0.91 0.08 0.36 -0.33 -1.08 0.00 0.00 178.15 178.09 3ito h GLU 41 N 0.42 1.02 -0.53 2.19 4.39 -1.98 -0.82 114.58 119.28 3ito h GLU 41 Ca 0.32 -0.13 -0.07 0.00 0.34 0.00 0.00 59.36 59.82 3ito h GLU 41 Cb 0.67 -0.19 -0.02 0.00 -0.10 0.00 0.00 28.75 29.11 3ito h GLU 41 CO -0.10 0.77 0.03 0.00 -1.16 0.00 0.00 179.01 178.56 3ito h ALA 42 N 1.38 1.06 -0.06 3.43 0.00 -1.56 -1.25 119.26 122.26 3ito h ALA 42 Ca 0.25 -0.26 -0.02 0.00 0.00 0.00 0.00 54.91 54.88 3ito h ALA 42 Cb 0.08 -0.21 -0.00 0.00 0.00 0.00 0.00 17.79 17.66 3ito h ALA 42 CO -0.03 0.59 -0.05 0.28 0.00 0.00 0.00 179.25 180.04 3ito h VAL 43 N 0.82 1.35 -0.97 0.00 2.07 -1.23 -2.86 116.25 115.43 3ito h VAL 43 Ca 0.16 -1.15 0.03 0.00 0.82 0.00 0.00 66.70 66.57 3ito h VAL 43 Cb 0.44 1.99 -0.06 0.00 -1.52 0.00 0.00 31.29 32.14 3ito h VAL 43 CO 0.02 0.32 0.64 0.74 0.02 0.00 0.00 177.57 179.30 3ito h THR 44 N -0.28 1.17 -0.65 2.57 2.02 -1.06 -0.55 112.91 116.14 3ito h THR 44 Ca 0.01 -0.42 0.04 0.00 0.77 0.00 0.00 66.41 66.81 3ito h THR 44 Cb 0.53 -0.17 -0.05 0.00 -1.74 0.00 0.00 68.15 66.72 3ito h THR 44 CO 0.01 0.23 0.39 0.00 0.37 0.00 0.00 175.52 176.51 3ito h ALA 45 N 1.40 0.85 -0.24 6.16 0.00 -1.20 -1.21 119.26 125.02 3ito h ALA 45 Ca 0.38 -0.01 -0.17 0.00 0.00 0.00 0.00 54.91 55.12 3ito h ALA 45 Cb -0.01 -0.17 -0.00 0.00 0.00 0.00 0.00 17.79 17.60 3ito h ALA 45 CO -0.12 0.11 -0.54 0.87 0.00 0.00 0.00 179.25 179.58 3ito h LYS 46 N 0.75 0.70 -0.79 0.00 1.57 -1.15 -3.21 116.57 114.43 3ito h LYS 46 Ca 0.27 -0.43 -0.03 0.00 -1.87 0.00 0.00 60.65 58.59 3ito h LYS 46 Cb 0.07 0.05 -0.04 0.00 0.08 0.00 0.00 32.23 32.39 3ito h LYS 46 CO -0.13 1.05 0.38 0.28 -0.57 0.00 0.00 179.45 180.47 3ito h VAL 47 N 0.54 1.25 0.00 0.50 2.07 -0.63 -1.46 116.25 118.52 3ito h VAL 47 Ca 0.01 -0.69 0.00 0.00 0.82 0.00 0.00 66.70 66.84 3ito h VAL 47 Cb 1.10 0.24 0.00 0.00 -1.52 0.00 0.00 31.29 31.12 3ito h VAL 47 CO 0.11 0.29 0.00 -1.84 0.02 0.00 0.00 177.57 176.15 3ito n GLU 48 N -4.37 0.43 0.00 1.57 0.28 -0.50 -1.77 120.64 116.28 3ito n GLU 48 Ca 0.07 0.06 0.08 0.00 -0.16 0.00 0.00 57.16 57.21 3ito n GLU 48 Cb 0.13 -1.50 0.05 0.00 1.43 0.00 0.00 31.44 31.55 3ito n GLU 48 CO 0.00 0.00 0.00 1.63 -0.16 0.00 0.00 177.13 178.60 3ito n LYS 49 N -1.15 1.37 -3.09 3.44 5.02 -0.57 -4.94 118.16 118.25 3ito n LYS 49 Ca 0.12 -1.26 -0.40 0.00 -2.02 0.00 0.00 58.31 54.74 3ito n LYS 49 Cb 0.11 -1.29 -0.06 0.00 -0.02 0.00 0.00 35.03 33.77 3ito n LYS 49 CO 0.00 0.00 0.00 0.12 -0.52 0.00 0.00 177.40 177.00 3ito s PHE 50 N -1.47 3.33 0.11 2.13 5.36 -0.73 -5.05 117.98 121.66 3ito s PHE 50 Ca 0.17 0.90 0.09 0.00 -0.96 0.00 0.00 56.93 57.13 3ito s PHE 50 Cb 0.13 -2.84 -0.04 0.00 -0.34 0.00 0.00 43.02 39.93 3ito s PHE 50 CO 0.25 -0.26 -0.23 -0.06 -1.46 0.00 0.00 175.22 173.45 3ito s PHE 51 N 2.27 2.00 -0.02 10.12 0.08 -1.26 -4.75 117.98 126.41 3ito s PHE 51 Ca 0.28 -0.40 0.00 0.00 0.12 0.00 0.00 56.93 56.93 3ito s PHE 51 Cb -0.16 -1.10 0.02 0.00 -0.57 0.00 0.00 43.02 41.21 3ito s PHE 51 CO 0.09 0.24 0.01 0.54 -0.10 0.00 0.00 175.22 176.00 3ito s VAL 52 N -1.08 0.08 0.37 -0.44 0.11 -0.34 -4.71 120.40 114.39 3ito s VAL 52 Ca 0.09 0.09 -0.26 0.00 -2.93 0.00 0.00 61.98 58.98 3ito s VAL 52 Cb -0.10 -0.17 -0.09 0.00 -1.53 0.00 0.00 36.38 34.50 3ito s VAL 52 CO 0.05 0.10 1.11 0.00 -3.33 0.00 0.00 175.10 173.02 3ito s ALA 53 N 0.77 3.20 -0.12 1.54 0.00 0.08 -4.17 121.76 123.06 3ito s ALA 53 Ca -0.07 0.85 -0.07 0.00 0.00 0.00 0.00 51.96 52.67 3ito s ALA 53 Cb -0.10 -3.33 -0.04 0.00 0.00 0.00 0.00 23.12 19.65 3ito s ALA 53 CO -0.02 -0.31 0.12 0.14 0.00 0.00 0.00 175.76 175.69 3ito s VAL 54 N -1.43 5.34 -0.07 0.00 -7.23 -0.75 -0.50 120.40 115.76 3ito s VAL 54 Ca 0.54 0.15 -0.30 0.00 -1.81 0.00 0.00 61.98 60.56 3ito s VAL 54 Cb -0.28 -3.33 -0.02 0.00 0.56 0.00 0.00 36.38 33.32 3ito s VAL 54 CO 0.35 0.61 1.00 -2.16 -0.31 0.00 0.00 175.10 174.59 3ito s PRO 55 N -0.92 4.46 0.33 4.82 0.04 -1.24 -0.85 135.00 141.64 3ito s PRO 55 Ca 0.14 1.41 0.04 0.00 0.04 0.00 0.00 61.00 62.64 3ito s PRO 55 Cb -0.12 -3.52 0.67 0.00 0.04 0.00 0.00 34.50 31.57 3ito s PRO 55 CO 0.03 -0.24 1.90 0.66 0.04 0.00 0.00 177.00 179.39 3ito h SER 56 N 7.02 0.78 0.00 6.66 4.64 -1.65 -0.48 113.55 130.52 3ito h SER 56 Ca -0.34 0.02 0.00 0.00 -0.47 0.00 0.00 61.79 61.00 3ito h SER 56 Cb 1.17 -0.14 0.00 0.00 -0.31 0.00 0.00 62.40 63.12 3ito h SER 56 CO 0.83 0.46 0.00 -2.67 -0.87 0.00 0.00 176.83 174.58 3ito n TRP 57 N -4.52 0.00 0.86 4.77 2.14 -1.26 -2.85 117.44 116.58 3ito n TRP 57 Ca 0.15 0.00 0.09 0.00 2.07 0.00 0.00 57.50 59.81 3ito n TRP 57 Cb 0.30 0.00 -0.02 0.00 -0.81 0.00 0.00 31.31 30.78 3ito n TRP 57 CO 0.00 0.00 0.00 0.41 2.07 0.00 0.00 177.69 180.17 3ito n GLY 58 N 0.72 -0.12 0.21 -1.67 0.00 -0.19 -4.28 105.19 99.86 3ito n GLY 58 Ca 0.18 -0.55 0.10 0.00 0.00 0.00 0.00 46.02 45.75 3ito n GLY 58 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 3ito h VAL 59 N 1.77 0.34 -2.01 1.61 2.07 -1.56 -3.43 116.25 115.03 3ito h VAL 59 Ca 0.00 -1.29 -0.45 0.00 0.82 0.00 0.00 66.70 65.78 3ito h VAL 59 Cb 0.62 2.00 -0.00 0.00 -1.52 0.00 0.00 31.29 32.38 3ito h VAL 59 CO 0.00 0.18 -0.39 -0.83 0.02 0.00 0.00 177.57 176.54 3ito s GLY 60 N -4.29 1.39 0.24 2.17 0.00 -1.26 -4.62 107.32 100.96 3ito s GLY 60 Ca 0.04 -1.34 -0.30 0.00 0.00 0.00 0.00 44.72 43.12 3ito s GLY 60 CO 0.67 -1.32 1.33 -1.59 0.00 0.00 0.00 173.10 172.20 3ito s THR 61 N -2.07 2.97 0.58 0.90 2.01 -1.26 -4.63 115.64 114.13 3ito s THR 61 Ca 0.39 0.84 0.04 0.00 0.31 0.00 0.00 61.69 63.27 3ito s THR 61 Cb -0.09 -3.54 0.07 0.00 0.01 0.00 0.00 72.50 68.95 3ito s THR 61 CO 0.30 0.15 0.80 -0.83 -0.69 0.00 0.00 174.62 174.34 3ito s GLY 62 N 0.12 1.81 0.27 4.40 0.00 -0.40 -4.94 107.32 108.58 3ito s GLY 62 Ca 0.55 -1.67 -0.04 0.00 0.00 0.00 0.00 44.72 43.56 3ito s GLY 62 CO 0.43 -1.29 0.44 0.61 0.00 0.00 0.00 173.10 173.28 3ito n GLY 63 N -2.36 2.00 3.26 0.20 0.00 -1.26 -4.25 105.19 102.77 3ito n GLY 63 Ca 0.11 -1.44 -0.29 0.00 0.00 0.00 0.00 46.02 44.41 3ito n GLY 63 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3ito n THR 64 N -0.42 0.00 0.55 2.61 -2.24 -0.23 -4.99 114.28 109.55 3ito n THR 64 Ca -0.02 -2.14 0.07 0.00 -2.27 0.00 0.00 64.05 59.69 3ito n THR 64 Cb 0.44 0.42 0.33 0.00 -2.10 0.00 0.00 70.33 69.42 3ito n THR 64 CO 0.00 0.00 0.00 -2.11 -0.57 0.00 0.00 175.07 172.39 3ito n ARG 65 N -1.14 0.04 -0.04 -0.78 1.85 -1.26 -2.60 116.66 112.74 3ito n ARG 65 Ca -0.19 0.23 -0.08 0.00 -1.00 0.00 0.00 57.85 56.81 3ito n ARG 65 Cb 0.58 -1.50 -0.14 0.00 -1.05 0.00 0.00 32.46 30.34 3ito n ARG 65 CO 0.00 0.00 0.00 1.19 -0.01 0.00 0.00 177.63 178.81 3ito n PHE 66 N -1.46 0.74 0.00 2.89 3.72 -1.26 -5.05 117.46 117.04 3ito n PHE 66 Ca 0.04 0.27 0.00 0.00 -0.05 0.00 0.00 57.45 57.71 3ito n PHE 66 Cb 0.16 -1.12 0.00 0.00 -0.94 0.00 0.00 39.48 37.58 3ito n PHE 66 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 3ito n ALA 67 N -2.59 0.00 -3.59 4.37 0.00 -1.07 -5.14 120.51 112.49 3ito n ALA 67 Ca -0.20 0.00 -0.21 0.00 0.00 0.00 0.00 53.44 53.03 3ito n ALA 67 Cb 1.06 0.00 -0.16 0.00 0.00 0.00 0.00 19.45 20.34 3ito n ALA 67 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.50 178.00 3ito s ARG 68 N -2.00 0.97 -0.70 0.00 3.52 -1.26 -1.07 118.95 118.41 3ito s ARG 68 Ca 0.00 -0.16 0.05 0.00 -0.13 0.00 0.00 55.73 55.49 3ito s ARG 68 Cb 0.00 -0.92 0.18 0.00 -1.56 0.00 0.00 34.95 32.65 3ito s ARG 68 CO 0.00 -0.06 0.52 1.19 -0.81 0.00 0.00 175.30 176.15 3ito n PHE 69 N 3.97 3.23 -1.39 5.12 3.72 -1.26 -5.07 117.46 125.77 3ito n PHE 69 Ca -0.25 -4.28 -0.35 0.00 -0.05 0.00 0.00 57.45 52.51 3ito n PHE 69 Cb 0.51 -0.60 0.09 0.00 -0.94 0.00 0.00 39.48 38.54 3ito n PHE 69 CO 0.00 0.00 0.00 -0.35 -0.05 0.00 0.00 176.76 176.36 3ito n PRO 70 N 1.83 0.59 0.00 -1.08 -0.04 -1.26 -4.96 135.00 130.08 3ito n PRO 70 Ca 0.21 0.26 0.00 0.00 -0.04 0.00 0.00 63.50 63.93 3ito n PRO 70 Cb 0.36 -2.36 0.00 0.00 -0.04 0.00 0.00 33.50 31.46 3ito n PRO 70 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3ito n GLY 71 N 0.91 1.81 3.90 0.55 0.00 -1.26 -5.10 105.19 106.00 3ito n GLY 71 Ca 0.14 -2.01 -0.28 0.00 0.00 0.00 0.00 46.02 43.87 3ito n GLY 71 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3ito s THR 72 N 1.99 4.93 -1.44 2.61 -4.23 -1.26 -4.34 115.64 113.89 3ito s THR 72 Ca 0.00 0.18 -0.11 0.00 -1.18 0.00 0.00 61.69 60.58 3ito s THR 72 Cb 0.00 -3.80 0.04 0.00 1.34 0.00 0.00 72.50 70.08 3ito s THR 72 CO 0.00 -0.60 1.09 0.61 -0.54 0.00 0.00 174.62 175.18 3ito n GLY 73 N -1.64 -0.53 3.77 3.99 0.00 -1.26 -4.78 105.19 104.74 3ito n GLY 73 Ca -0.00 0.23 -0.41 0.00 0.00 0.00 0.00 46.02 45.84 3ito n GLY 73 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3ito s GLU 74 N -6.44 4.25 0.29 1.61 0.41 -1.26 -4.70 118.70 112.86 3ito s GLU 74 Ca 0.62 2.36 -0.29 0.00 -0.41 0.00 0.00 54.97 57.24 3ito s GLU 74 Cb -0.29 -3.04 -0.10 0.00 -1.78 0.00 0.00 34.13 28.91 3ito s GLU 74 CO 0.76 -0.36 1.45 -1.25 -0.49 0.00 0.00 175.26 175.37 3ito s PRO 75 N -1.57 4.24 0.28 0.39 0.04 -1.26 -4.83 135.00 132.28 3ito s PRO 75 Ca 0.53 2.36 0.17 0.00 0.04 0.00 0.00 61.00 64.10 3ito s PRO 75 Cb -0.43 -3.07 0.08 0.00 0.04 0.00 0.00 34.50 31.12 3ito s PRO 75 CO 0.54 -0.42 1.38 0.00 0.04 0.00 0.00 177.00 178.54 3ito h ARG 76 N 4.43 0.00 0.00 4.56 3.08 -1.93 -3.48 114.38 121.03 3ito h ARG 76 Ca -0.47 0.00 0.01 0.00 0.07 0.00 0.00 59.98 59.59 3ito h ARG 76 Cb 1.22 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 31.27 3ito h ARG 76 CO 0.74 0.38 0.06 0.41 -1.07 0.00 0.00 179.97 180.49 3ito n GLY 77 N 1.22 1.34 0.36 0.04 0.00 -1.26 -5.02 105.19 101.88 3ito n GLY 77 Ca 0.01 -0.96 0.06 0.00 0.00 0.00 0.00 46.02 45.13 3ito n GLY 77 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 3ito h ILE 78 N 1.11 1.01 -0.67 -0.61 6.09 -1.91 -1.52 117.51 121.01 3ito h ILE 78 Ca -0.03 -0.32 -0.07 0.00 -1.37 0.00 0.00 64.86 63.06 3ito h ILE 78 Cb 0.13 -0.02 -0.03 0.00 0.47 0.00 0.00 36.82 37.38 3ito h ILE 78 CO 0.04 0.17 0.13 -0.26 -3.07 0.00 0.00 178.15 175.16 3ito h PHE 79 N 0.94 1.14 -0.32 2.19 0.04 -1.96 0.14 116.94 119.10 3ito h PHE 79 Ca 0.40 -0.14 -0.12 0.00 2.80 0.00 0.00 57.97 60.91 3ito h PHE 79 Cb 0.32 -0.32 -0.01 0.00 2.20 0.00 0.00 35.95 38.14 3ito h PHE 79 CO -0.00 0.94 -0.29 -0.44 -0.60 0.00 0.00 178.31 177.93 3ito h ASP 80 N 1.02 0.69 -0.44 2.17 3.32 -1.82 -1.92 116.42 119.43 3ito h ASP 80 Ca 0.21 -0.26 -0.05 0.00 0.02 0.00 0.00 57.03 56.94 3ito h ASP 80 Cb 0.40 -0.19 -0.02 0.00 0.22 0.00 0.00 39.33 39.74 3ito h ASP 80 CO 0.01 0.94 0.10 0.11 -1.72 0.00 0.00 179.24 178.68 3ito h LYS 81 N 0.57 0.78 -0.43 3.56 1.57 -0.59 -1.12 116.57 120.91 3ito h LYS 81 Ca 0.07 -0.16 -0.15 0.00 -1.87 0.00 0.00 60.65 58.54 3ito h LYS 81 Cb 0.78 -0.12 -0.01 0.00 0.08 0.00 0.00 32.23 32.97 3ito h LYS 81 CO 0.06 0.72 -0.32 -0.07 -0.57 0.00 0.00 179.45 179.27 3ito h LEU 82 N 0.75 1.02 -0.76 2.94 3.38 -0.46 -0.37 115.31 121.79 3ito h LEU 82 Ca 0.16 -0.43 0.02 0.00 0.09 0.00 0.00 57.88 57.72 3ito h LEU 82 Cb 0.30 -0.28 -0.04 0.00 0.09 0.00 0.00 40.66 40.73 3ito h LEU 82 CO 0.00 1.24 0.50 0.44 0.09 0.00 0.00 178.44 180.70 3ito h ASP 83 N 0.81 0.84 0.08 -0.43 3.32 -0.85 -0.90 116.42 119.29 3ito h ASP 83 Ca 0.08 -0.01 -0.15 0.00 0.02 0.00 0.00 57.03 56.96 3ito h ASP 83 Cb 0.91 -0.20 -0.01 0.00 0.22 0.00 0.00 39.33 40.25 3ito h ASP 83 CO 0.08 0.60 -0.55 0.44 -1.72 0.00 0.00 179.24 178.09 3ito h ASP 84 N 0.99 0.55 0.27 6.45 3.32 -1.04 -2.85 116.42 124.12 3ito h ASP 84 Ca 0.29 -0.29 -0.06 0.00 0.02 0.00 0.00 57.03 56.99 3ito h ASP 84 Cb -0.06 -0.16 -0.01 0.00 0.22 0.00 0.00 39.33 39.33 3ito h ASP 84 CO -0.09 0.99 -0.27 0.00 -1.72 0.00 0.00 179.24 178.15 3ito h ALA 86 N 1.72 1.68 -0.23 0.00 0.00 -0.93 -1.79 119.26 119.71 3ito h ALA 86 Ca -0.00 -0.14 -0.09 0.00 0.00 0.00 0.00 54.91 54.68 3ito h ALA 86 Cb 0.49 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 18.21 3ito h ALA 86 CO 0.04 0.24 -0.20 0.28 0.00 0.00 0.00 179.25 179.61 3ito h VAL 87 N 0.14 1.32 -0.53 0.00 2.07 -1.41 0.14 116.25 117.97 3ito h VAL 87 Ca 0.03 -1.34 0.03 0.00 0.82 0.00 0.00 66.70 66.24 3ito h VAL 87 Cb 0.25 1.68 -0.04 0.00 -1.52 0.00 0.00 31.29 31.66 3ito h VAL 87 CO 0.01 0.41 0.29 0.40 0.02 0.00 0.00 177.57 178.71 3ito h ILE 88 N 0.23 1.01 -0.32 4.57 2.04 -1.34 -0.93 117.51 122.77 3ito h ILE 88 Ca 0.04 -0.20 -0.11 0.00 1.00 0.00 0.00 64.86 65.59 3ito h ILE 88 Cb 0.74 0.38 -0.01 0.00 -0.74 0.00 0.00 36.82 37.19 3ito h ILE 88 CO 0.05 0.11 -0.22 -0.61 0.00 0.00 0.00 178.15 177.48 3ito h GLN 89 N 0.58 0.72 -0.88 2.37 5.75 -1.30 -1.16 115.11 121.19 3ito h GLN 89 Ca 0.22 -0.34 0.02 0.00 -0.15 0.00 0.00 58.65 58.39 3ito h GLN 89 Cb 0.08 -0.01 -0.05 0.00 1.07 0.00 0.00 27.48 28.58 3ito h GLN 89 CO -0.13 0.95 0.58 0.37 -2.65 0.00 0.00 178.83 177.96 3ito h GLN 90 N 0.49 1.13 0.16 1.69 4.15 -0.53 0.43 115.11 122.63 3ito h GLN 90 Ca 0.06 -0.07 -0.33 0.00 0.77 0.00 0.00 58.65 59.09 3ito h GLN 90 Cb 0.77 -0.25 0.01 0.00 0.21 0.00 0.00 27.48 28.21 3ito h GLN 90 CO 0.06 0.75 -1.60 -0.07 -1.93 0.00 0.00 178.83 176.04 3ito h LEU 91 N 1.16 0.53 0.00 -2.39 3.38 -1.18 -3.34 115.31 113.48 3ito h LEU 91 Ca 0.33 -0.73 -0.29 0.00 0.09 0.00 0.00 57.88 57.28 3ito h LEU 91 Cb -0.10 -0.17 -0.05 0.00 0.09 0.00 0.00 40.66 40.43 3ito h LEU 91 CO -0.08 1.60 -2.00 0.35 0.09 0.00 0.00 178.44 178.40 3ito n THR 92 N -3.54 1.35 -1.58 0.22 -2.24 -0.44 -1.03 114.28 107.02 3ito n THR 92 Ca -0.19 -0.79 -0.20 0.00 -2.27 0.00 0.00 64.05 60.60 3ito n THR 92 Cb 1.06 -0.67 -0.09 0.00 -2.10 0.00 0.00 70.33 68.54 3ito n THR 92 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 3ito n ARG 93 N -2.84 -1.38 0.00 -0.78 5.12 0.15 -4.75 116.66 112.18 3ito n ARG 93 Ca -0.22 1.20 0.03 0.00 -1.93 0.00 0.00 57.85 56.92 3ito n ARG 93 Cb 1.04 -5.54 0.02 0.00 -1.16 0.00 0.00 32.46 26.82 3ito n ARG 93 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 3ito n ALA 94 N 1.37 2.50 -3.09 7.54 0.00 -1.26 -4.78 120.51 122.78 3ito n ALA 94 Ca -0.20 -0.52 -0.23 0.00 0.00 0.00 0.00 53.44 52.50 3ito n ALA 94 Cb 0.65 -0.19 -0.04 0.00 0.00 0.00 0.00 19.45 19.87 3ito n ALA 94 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 3ito n THR 95 N 0.21 1.36 0.31 0.00 -2.24 -1.26 -1.20 114.28 111.47 3ito n THR 95 Ca 0.03 -5.03 0.15 0.00 -2.27 0.00 0.00 64.05 56.94 3ito n THR 95 Cb 0.14 -0.96 0.69 0.00 -2.10 0.00 0.00 70.33 68.09 3ito n THR 95 CO 0.00 0.00 0.00 1.55 -0.57 0.00 0.00 175.07 176.05 3ito h PRO 96 N 3.12 0.00 -6.72 -0.78 0.13 -1.86 -3.40 132.00 122.48 3ito h PRO 96 Ca 0.12 0.00 -0.69 0.00 -0.87 0.00 0.00 66.00 64.56 3ito h PRO 96 Cb 0.74 0.00 -0.23 0.00 0.13 0.00 0.00 31.00 31.64 3ito h PRO 96 CO 0.66 0.00 -0.84 -0.80 -0.23 0.00 0.00 178.00 176.78 3ito s ASN 97 N -4.89 3.52 -0.01 1.44 0.01 -1.26 0.60 114.94 114.36 3ito s ASN 97 Ca 0.01 -0.56 0.06 0.00 -0.71 0.00 0.00 52.86 51.65 3ito s ASN 97 Cb 0.09 -0.42 -0.03 0.00 0.41 0.00 0.00 41.25 41.30 3ito s ASN 97 CO 0.42 0.23 -0.18 -0.69 -1.51 0.00 0.00 177.10 175.37 3ito s VAL 98 N -0.95 2.76 -0.21 1.60 1.01 0.39 -1.81 120.40 123.18 3ito s VAL 98 Ca 0.14 -0.97 -0.12 0.00 0.00 0.00 0.00 61.98 61.04 3ito s VAL 98 Cb -0.10 -2.09 -0.05 0.00 0.00 0.00 0.00 36.38 34.14 3ito s VAL 98 CO 0.05 0.50 0.20 -0.44 0.00 0.00 0.00 175.10 175.41 3ito s SER 99 N -0.96 6.23 0.19 3.32 0.01 -0.03 -0.96 113.70 121.50 3ito s SER 99 Ca 0.12 0.25 0.02 0.00 1.31 0.00 0.00 55.95 57.65 3ito s SER 99 Cb -0.10 -2.13 -0.04 0.00 0.21 0.00 0.00 66.02 63.96 3ito s SER 99 CO 0.02 0.08 0.34 -0.76 0.41 0.00 0.00 173.24 173.33 3ito s LEU 100 N 0.84 4.29 -0.10 2.44 1.43 -1.26 -1.52 118.68 124.80 3ito s LEU 100 Ca 0.10 0.22 0.01 0.00 -1.03 0.00 0.00 54.13 53.43 3ito s LEU 100 Cb -0.13 -2.98 0.02 0.00 0.03 0.00 0.00 46.19 43.13 3ito s LEU 100 CO 0.03 -0.01 -0.11 -2.28 0.23 0.00 0.00 176.35 174.20 3ito s HIS 101 N -1.85 1.62 -0.08 0.29 2.46 -1.26 -1.74 115.29 114.73 3ito s HIS 101 Ca 0.36 -0.74 -0.01 0.00 0.47 0.00 0.00 55.06 55.14 3ito s HIS 101 Cb -0.11 -1.24 -0.03 0.00 -0.13 0.00 0.00 32.58 31.07 3ito s HIS 101 CO 0.29 -0.43 -0.03 0.42 -2.47 0.00 0.00 174.74 172.52 3ito s ILE 102 N 1.18 4.02 -2.08 0.89 -1.09 -0.59 0.61 121.20 124.14 3ito s ILE 102 Ca -0.04 -0.36 0.24 0.00 -2.23 0.00 0.00 60.65 58.26 3ito s ILE 102 Cb -0.14 -2.67 0.64 0.00 -1.58 0.00 0.00 42.46 38.71 3ito s ILE 102 CO -0.03 0.60 1.86 -0.81 -1.23 0.00 0.00 174.94 175.33 3ito n PRO 103 N 2.23 1.15 -0.30 2.79 -0.04 -1.26 -2.52 135.00 137.06 3ito n PRO 103 Ca -0.18 -0.23 0.07 0.00 -0.04 0.00 0.00 63.50 63.12 3ito n PRO 103 Cb 0.53 -1.39 0.22 0.00 -0.04 0.00 0.00 33.50 32.83 3ito n PRO 103 CO 0.00 0.00 0.00 -1.49 -0.04 0.00 0.00 175.50 173.97 3ito h TRP 104 N 0.49 0.82 -0.62 0.54 6.55 -1.86 -2.18 115.95 119.69 3ito h TRP 104 Ca 0.00 0.03 0.00 0.00 0.95 0.00 0.00 58.89 59.87 3ito h TRP 104 Cb 0.11 -0.23 0.00 0.00 -0.86 0.00 0.00 29.16 28.17 3ito h TRP 104 CO 0.01 0.22 0.00 -0.25 -1.05 0.00 0.00 178.44 177.38 3ito n ASP 105 N -4.83 4.40 -4.70 -3.49 8.00 0.20 -4.77 116.55 111.36 3ito n ASP 105 Ca 0.17 -2.35 -0.44 0.00 0.71 0.00 0.00 54.79 52.88 3ito n ASP 105 Cb 0.42 -0.53 -0.03 0.00 -0.02 0.00 0.00 41.12 40.96 3ito n ASP 105 CO 0.00 0.00 0.00 1.17 -0.39 0.00 0.00 177.20 177.98 3ito n LYS 106 N 1.08 2.35 -3.62 -1.24 4.81 -0.82 -4.92 118.16 115.81 3ito n LYS 106 Ca 0.24 0.84 0.01 0.00 -0.87 0.00 0.00 58.31 58.54 3ito n LYS 106 Cb 0.80 -2.60 -0.00 0.00 0.02 0.00 0.00 35.03 33.25 3ito n LYS 106 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 3ito s ALA 107 N 0.47 -2.24 -0.28 3.14 0.00 -1.26 -5.01 121.76 116.58 3ito s ALA 107 Ca 0.72 0.74 -0.35 0.00 0.00 0.00 0.00 51.96 53.07 3ito s ALA 107 Cb -0.60 0.34 -0.11 0.00 0.00 0.00 0.00 23.12 22.75 3ito s ALA 107 CO 0.43 -1.04 2.09 -3.47 0.00 0.00 0.00 175.76 173.77 3ito n ASP 108 N -0.48 2.53 -0.27 0.00 2.03 -1.26 -4.80 116.55 114.31 3ito n ASP 108 Ca -0.08 0.56 0.13 0.00 0.52 0.00 0.00 54.79 55.91 3ito n ASP 108 Cb 0.63 -1.30 0.39 0.00 -0.72 0.00 0.00 41.12 40.12 3ito n ASP 108 CO 0.00 0.00 0.00 -0.65 -1.92 0.00 0.00 177.20 174.63 3ito h PRO 109 N 11.59 0.64 -0.77 -0.67 0.11 -1.96 -0.52 132.00 140.41 3ito h PRO 109 Ca -0.35 -0.04 -0.05 0.00 0.11 0.00 0.00 66.00 65.67 3ito h PRO 109 Cb 1.30 -0.14 -0.03 0.00 0.11 0.00 0.00 31.00 32.24 3ito h PRO 109 CO 0.99 0.42 0.28 0.87 -0.21 0.00 0.00 178.00 180.35 3ito h LYS 110 N 0.66 1.17 -0.09 1.05 1.57 -1.87 -1.09 116.57 117.97 3ito h LYS 110 Ca 0.46 -0.23 -0.17 0.00 -1.87 0.00 0.00 60.65 58.84 3ito h LYS 110 Cb 0.79 -0.18 -0.01 0.00 0.08 0.00 0.00 32.23 32.91 3ito h LYS 110 CO -0.21 0.97 -0.67 0.93 -0.57 0.00 0.00 179.45 179.90 3ito h GLU 111 N 1.13 0.37 -0.32 3.15 5.08 -1.52 -1.74 114.58 120.72 3ito h GLU 111 Ca 0.25 -0.28 -0.01 0.00 -1.00 0.00 0.00 59.36 58.32 3ito h GLU 111 Cb 0.26 0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.54 3ito h GLU 111 CO -0.02 0.90 0.14 -0.07 -1.00 0.00 0.00 179.01 178.97 3ito h LEU 112 N 0.26 0.43 -0.26 1.33 3.38 -0.86 -0.18 115.31 119.42 3ito h LEU 112 Ca -0.02 -0.14 -0.01 0.00 0.09 0.00 0.00 57.88 57.80 3ito h LEU 112 Cb 1.22 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 41.84 3ito h LEU 112 CO 0.11 0.45 0.13 0.50 0.09 0.00 0.00 178.44 179.73 3ito h LYS 113 N 0.38 0.37 -0.24 1.13 1.63 -1.13 0.96 116.57 119.67 3ito h LYS 113 Ca 0.11 -0.05 0.04 0.00 -0.85 0.00 0.00 60.65 59.90 3ito h LYS 113 Cb 0.15 -0.07 -0.03 0.00 -0.60 0.00 0.00 32.23 31.67 3ito h LYS 113 CO -0.01 0.35 0.02 0.00 -3.45 0.00 0.00 179.45 176.36 3ito h ALA 114 N 1.00 0.22 -0.66 5.00 0.00 -1.11 0.27 119.26 123.97 3ito h ALA 114 Ca 0.09 0.06 -0.05 0.00 0.00 0.00 0.00 54.91 55.01 3ito h ALA 114 Cb 0.10 0.09 -0.03 0.00 0.00 0.00 0.00 17.79 17.94 3ito h ALA 114 CO -0.01 -0.40 0.23 -0.09 0.00 0.00 0.00 179.25 178.98 3ito h ARG 115 N 0.10 1.00 0.09 0.00 9.65 -0.84 -1.29 114.38 123.09 3ito h ARG 115 Ca 0.11 -0.18 -0.00 0.00 -1.10 0.00 0.00 59.98 58.80 3ito h ARG 115 Cb 0.13 -0.16 0.00 0.00 -1.39 0.00 0.00 29.97 28.55 3ito h ARG 115 CO -0.17 0.84 -0.04 0.78 2.80 0.00 0.00 179.97 184.17 3ito h GLY 116 N 1.05 -0.13 1.00 2.80 0.00 0.12 -1.11 103.07 106.81 3ito h GLY 116 Ca 0.22 0.05 0.04 0.00 0.00 0.00 0.00 47.33 47.64 3ito h GLY 116 CO -0.01 -0.05 0.56 -0.55 0.00 0.00 0.00 176.54 176.49 3ito h ASP 117 N -0.24 0.89 0.32 0.19 3.32 -0.26 0.38 116.42 121.01 3ito h ASP 117 Ca -0.01 -0.01 -0.11 0.00 0.02 0.00 0.00 57.03 56.92 3ito h ASP 117 Cb 0.20 -0.20 -0.01 0.00 0.22 0.00 0.00 39.33 39.54 3ito h ASP 117 CO 0.02 0.60 -0.45 0.00 -1.72 0.00 0.00 179.24 177.69 3ito h ALA 118 N 1.51 1.12 -0.00 3.45 0.00 -0.98 -2.91 119.26 121.44 3ito h ALA 118 Ca 0.35 -0.43 0.00 0.00 0.00 0.00 0.00 54.91 54.82 3ito h ALA 118 Cb 0.09 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.79 3ito h ALA 118 CO -0.11 0.61 -0.38 1.28 0.00 0.00 0.00 179.25 180.65 3ito n LEU 119 N -3.99 0.78 -0.17 0.00 4.77 -0.44 -2.50 117.00 115.45 3ito n LEU 119 Ca -0.02 -0.14 -0.02 0.00 -0.03 0.00 0.00 56.01 55.81 3ito n LEU 119 Cb 0.50 -0.18 -0.00 0.00 -2.33 0.00 0.00 43.42 41.41 3ito n LEU 119 CO 0.42 0.16 -0.02 0.61 -1.33 0.00 0.00 177.39 177.23 3ito n GLY 120 N 1.42 0.33 3.48 -0.72 0.00 -0.16 -4.88 105.19 104.66 3ito n GLY 120 Ca 0.09 -0.85 -0.30 0.00 0.00 0.00 0.00 46.02 44.96 3ito n GLY 120 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3ito s LEU 121 N -0.44 2.66 0.00 0.99 1.43 -0.06 -4.90 118.68 118.37 3ito s LEU 121 Ca 0.00 -0.54 0.02 0.00 -1.03 0.00 0.00 54.13 52.57 3ito s LEU 121 Cb 0.00 -1.52 0.02 0.00 0.03 0.00 0.00 46.19 44.71 3ito s LEU 121 CO 0.00 0.19 0.13 0.61 0.23 0.00 0.00 176.35 177.52 3ito n GLY 122 N 0.94 3.32 3.13 -3.19 0.00 0.20 -3.98 105.19 105.61 3ito n GLY 122 Ca -0.16 -2.29 -0.28 0.00 0.00 0.00 0.00 46.02 43.29 3ito n GLY 122 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3ito s PHE 123 N -2.04 2.01 0.00 1.61 0.08 -1.26 -0.46 117.98 117.92 3ito s PHE 123 Ca 0.10 -0.78 0.00 0.00 0.12 0.00 0.00 56.93 56.37 3ito s PHE 123 Cb -0.01 -1.39 0.00 0.00 -0.57 0.00 0.00 43.02 41.06 3ito s PHE 123 CO 0.06 -0.34 0.00 -3.47 -0.10 0.00 0.00 175.22 171.38 3ito n ASP 124 N 3.61 0.00 -4.69 1.36 2.03 -0.13 -4.26 116.55 114.48 3ito n ASP 124 Ca -0.21 0.00 -0.41 0.00 0.52 0.00 0.00 54.79 54.69 3ito n ASP 124 Cb 0.52 0.00 0.01 0.00 -0.72 0.00 0.00 41.12 40.93 3ito n ASP 124 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 3ito n ALA 125 N -3.00 1.13 -1.83 -1.67 0.00 -1.26 -4.57 120.51 109.31 3ito n ALA 125 Ca 0.00 0.28 -0.32 0.00 0.00 0.00 0.00 53.44 53.40 3ito n ALA 125 Cb 0.00 -2.24 -0.04 0.00 0.00 0.00 0.00 19.45 17.17 3ito n ALA 125 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 177.50 175.86 3ito s MET 126 N -2.11 3.98 -0.15 0.00 -1.94 0.70 -3.97 119.30 115.81 3ito s MET 126 Ca 0.60 1.01 0.00 0.00 -1.71 0.00 0.00 55.69 55.60 3ito s MET 126 Cb -0.53 -2.14 0.03 0.00 2.01 0.00 0.00 34.83 34.20 3ito s MET 126 CO 0.59 -0.25 -0.10 -0.80 -0.01 0.00 0.00 175.02 174.45 3ito s ASN 127 N -2.83 2.68 0.65 3.03 0.01 -0.71 -0.49 114.94 117.27 3ito s ASN 127 Ca 0.60 -0.53 -0.10 0.00 -0.71 0.00 0.00 52.86 52.12 3ito s ASN 127 Cb -0.10 -1.04 -0.00 0.00 0.41 0.00 0.00 41.25 40.52 3ito s ASN 127 CO 0.27 -0.11 1.02 -0.94 -1.51 0.00 0.00 177.10 175.83 3ito s SER 128 N 1.56 5.69 -0.31 -1.22 1.04 -1.15 -1.54 113.70 117.77 3ito s SER 128 Ca 0.03 1.08 -0.02 0.00 0.48 0.00 0.00 55.95 57.52 3ito s SER 128 Cb -0.14 -2.00 0.12 0.00 0.10 0.00 0.00 66.02 64.10 3ito s SER 128 CO -0.09 -1.13 0.20 0.21 0.98 0.00 0.00 173.24 173.40 3ito s ASN 129 N -4.29 2.91 -0.25 7.02 3.84 -1.05 -4.66 114.94 118.45 3ito s ASN 129 Ca 0.56 -1.47 0.11 0.00 0.21 0.00 0.00 52.86 52.26 3ito s ASN 129 Cb -0.11 -0.16 0.45 0.00 -0.55 0.00 0.00 41.25 40.89 3ito s ASN 129 CO 0.50 -0.38 1.19 0.35 -2.79 0.00 0.00 177.10 175.97 3ito n THR 130 N 4.86 2.20 -0.27 -5.21 -2.24 -1.26 -4.59 114.28 107.76 3ito n THR 130 Ca 0.01 -3.69 0.03 0.00 -2.27 0.00 0.00 64.05 58.13 3ito n THR 130 Cb 0.42 -0.55 0.06 0.00 -2.10 0.00 0.00 70.33 68.15 3ito n THR 130 CO 0.00 0.00 0.00 2.22 -0.57 0.00 0.00 175.07 176.72 3ito n PHE 131 N -0.74 0.10 -3.50 4.78 1.16 -1.26 -4.58 117.46 113.41 3ito n PHE 131 Ca 0.32 -0.61 -0.14 0.00 -1.87 0.00 0.00 57.45 55.15 3ito n PHE 131 Cb 0.89 -0.08 -0.04 0.00 -1.61 0.00 0.00 39.48 38.64 3ito n PHE 131 CO 0.00 0.00 0.00 -1.54 -1.87 0.00 0.00 176.76 173.35 3ito s SER 132 N -1.41 -0.52 0.05 5.98 1.04 -1.26 -4.93 113.70 112.65 3ito s SER 132 Ca 0.11 0.18 -0.08 0.00 0.48 0.00 0.00 55.95 56.64 3ito s SER 132 Cb 0.08 0.55 -0.05 0.00 0.10 0.00 0.00 66.02 66.70 3ito s SER 132 CO 0.03 -0.81 0.35 -1.81 0.98 0.00 0.00 173.24 171.98 3ito s ASP 133 N -2.19 6.58 0.21 7.02 1.01 -1.26 -4.84 116.67 123.20 3ito s ASP 133 Ca -0.03 0.69 0.06 0.00 0.71 0.00 0.00 52.55 53.98 3ito s ASP 133 Cb -0.00 -2.14 -0.04 0.00 1.01 0.00 0.00 42.92 41.75 3ito s ASP 133 CO -0.05 0.20 0.22 0.00 0.21 0.00 0.00 175.17 175.75 3ito s ALA 134 N -1.37 3.69 0.22 5.23 0.00 -1.26 -5.04 121.76 123.22 3ito s ALA 134 Ca 0.31 -1.28 -0.32 0.00 0.00 0.00 0.00 51.96 50.68 3ito s ALA 134 Cb -0.14 -1.45 -0.13 0.00 0.00 0.00 0.00 23.12 21.40 3ito s ALA 134 CO 0.18 0.36 1.48 -2.30 0.00 0.00 0.00 175.76 175.48 3ito n PRO 135 N -0.88 2.15 -0.94 0.00 -0.02 -1.26 -1.58 135.00 132.48 3ito n PRO 135 Ca -0.08 0.77 0.00 0.00 -2.02 0.00 0.00 63.50 62.17 3ito n PRO 135 Cb 0.56 -2.47 0.00 0.00 -0.02 0.00 0.00 33.50 31.57 3ito n PRO 135 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3ito n GLY 136 N 2.53 0.48 3.73 -1.23 0.00 -1.26 -4.97 105.19 104.47 3ito n GLY 136 Ca 0.13 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.73 3ito n GLY 136 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 3ito s GLN 137 N -0.50 4.17 0.03 1.61 0.74 -0.61 -4.92 119.66 120.17 3ito s GLN 137 Ca 0.00 2.49 -0.24 0.00 0.05 0.00 0.00 55.36 57.66 3ito s GLN 137 Cb 0.00 -3.10 -0.17 0.00 1.10 0.00 0.00 33.01 30.85 3ito s GLN 137 CO 0.00 -0.65 1.45 0.00 -0.55 0.00 0.00 175.29 175.54 3ito h ALA 138 N 6.29 0.06 -3.99 1.58 0.00 -1.93 -3.44 119.26 117.83 3ito h ALA 138 Ca -0.44 -0.17 -0.69 0.00 0.00 0.00 0.00 54.91 53.62 3ito h ALA 138 Cb 1.21 -0.02 -0.26 0.00 0.00 0.00 0.00 17.79 18.72 3ito h ALA 138 CO 0.90 -0.27 -0.80 -1.01 0.00 0.00 0.00 179.25 178.07 3ito s HIS 139 N -4.96 2.63 0.39 0.00 3.76 -1.26 -5.12 115.29 110.74 3ito s HIS 139 Ca -0.15 -0.37 -0.23 0.00 -0.15 0.00 0.00 55.06 54.17 3ito s HIS 139 Cb 0.04 -1.64 -0.11 0.00 1.11 0.00 0.00 32.58 31.98 3ito s HIS 139 CO 0.68 0.03 0.95 0.45 -0.85 0.00 0.00 174.74 176.00 3ito s SER 140 N -0.44 7.06 -0.11 1.40 0.15 -1.26 -4.96 113.70 115.53 3ito s SER 140 Ca 0.05 1.75 0.16 0.00 0.70 0.00 0.00 55.95 58.62 3ito s SER 140 Cb -0.12 -2.55 0.66 0.00 -1.71 0.00 0.00 66.02 62.30 3ito s SER 140 CO 0.02 -0.27 1.56 -1.22 1.20 0.00 0.00 173.24 174.52 3ito n TYR 141 N -0.22 1.39 -0.25 3.44 4.01 -1.26 -4.55 117.16 119.72 3ito n TYR 141 Ca 0.05 -0.55 0.05 0.00 -0.16 0.00 0.00 57.90 57.30 3ito n TYR 141 Cb 0.53 -0.24 0.19 0.00 -0.31 0.00 0.00 39.34 39.50 3ito n TYR 141 CO 0.00 0.00 0.00 -0.22 -0.46 0.00 0.00 176.86 176.18 3ito h LYS 142 N 3.73 0.37 -0.54 -0.72 3.64 -1.94 -1.33 116.57 119.78 3ito h LYS 142 Ca 0.00 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.36 3ito h LYS 142 Cb 1.37 -0.08 0.00 0.00 -0.41 0.00 0.00 32.23 33.11 3ito h LYS 142 CO 0.23 0.24 0.00 0.66 -2.27 0.00 0.00 179.45 178.31 3ito n TYR 143 N -5.06 1.86 0.00 1.91 4.01 -1.26 -5.05 117.16 113.57 3ito n TYR 143 Ca 0.14 -0.74 0.00 0.00 -0.16 0.00 0.00 57.90 57.14 3ito n TYR 143 Cb 0.44 -0.46 0.00 0.00 -0.31 0.00 0.00 39.34 39.01 3ito n TYR 143 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3ito n GLY 144 N 0.50 1.19 0.00 2.72 0.00 -0.50 -4.67 105.19 104.43 3ito n GLY 144 Ca 0.27 -2.23 0.00 0.00 0.00 0.00 0.00 46.02 44.06 3ito n GLY 144 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3ito n SER 145 N 0.00 0.00 0.31 1.61 3.41 -1.26 -4.31 113.62 113.37 3ito n SER 145 Ca 0.00 0.00 0.19 0.00 -0.26 0.00 0.00 58.87 58.80 3ito n SER 145 Cb 0.00 0.00 1.00 0.00 -0.26 0.00 0.00 64.21 64.95 3ito n SER 145 CO 0.00 0.00 0.00 -0.07 -0.16 0.00 0.00 175.04 174.81 3ito h LEU 146 N 0.00 0.00 -2.97 1.04 3.38 -1.86 -2.11 115.31 112.79 3ito h LEU 146 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3ito h LEU 146 Cb 0.00 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.75 3ito h LEU 146 CO 0.00 0.02 0.00 -1.54 0.09 0.00 0.00 178.44 177.01 3ito n SER 147 N -3.34 2.73 -4.77 -0.43 3.41 -1.26 -3.83 113.62 106.13 3ito n SER 147 Ca -0.02 -2.20 -0.40 0.00 -0.26 0.00 0.00 58.87 55.99 3ito n SER 147 Cb 0.14 -0.21 0.01 0.00 -0.26 0.00 0.00 64.21 63.89 3ito n SER 147 CO 0.00 0.00 0.00 -2.28 -0.16 0.00 0.00 175.04 172.60 3ito s HIS 148 N -1.35 2.46 0.53 7.33 5.04 -0.79 -4.79 115.29 123.72 3ito s HIS 148 Ca 0.19 1.24 0.27 0.00 -1.54 0.00 0.00 55.06 55.22 3ito s HIS 148 Cb 0.12 -3.95 1.63 0.00 0.04 0.00 0.00 32.58 30.42 3ito s HIS 148 CO 0.09 -2.98 2.18 1.79 -2.34 0.00 0.00 174.74 173.48 3ito h THR 149 N 2.41 0.61 -3.50 0.89 1.35 -1.90 -3.41 112.91 109.36 3ito h THR 149 Ca -0.51 -0.18 -0.61 0.00 -0.55 0.00 0.00 66.41 64.56 3ito h THR 149 Cb 1.26 1.11 -0.11 0.00 -1.73 0.00 0.00 68.15 68.68 3ito h THR 149 CO 0.62 0.04 0.34 0.21 -0.25 0.00 0.00 175.52 176.47 3ito s ASN 150 N -6.28 6.58 0.24 5.36 2.47 -1.26 -4.96 114.94 117.09 3ito s ASN 150 Ca -0.04 0.46 -0.04 0.00 0.42 0.00 0.00 52.86 53.65 3ito s ASN 150 Cb 0.15 -2.39 0.46 0.00 -1.45 0.00 0.00 41.25 38.02 3ito s ASN 150 CO 0.58 -0.65 1.71 0.00 -3.72 0.00 0.00 177.10 175.03 3ito h ALA 151 N 8.31 1.03 -0.28 1.71 0.00 -1.99 0.05 119.26 128.09 3ito h ALA 151 Ca -0.25 0.13 -0.00 0.00 0.00 0.00 0.00 54.91 54.79 3ito h ALA 151 Cb 1.10 0.13 -0.01 0.00 0.00 0.00 0.00 17.79 19.01 3ito h ALA 151 CO 0.88 -0.26 0.16 0.00 0.00 0.00 0.00 179.25 180.03 3ito h ALA 152 N 1.57 1.75 -0.17 0.00 0.00 -1.95 0.62 119.26 121.07 3ito h ALA 152 Ca 0.41 -0.04 -0.20 0.00 0.00 0.00 0.00 54.91 55.08 3ito h ALA 152 Cb 0.66 -0.12 0.01 0.00 0.00 0.00 0.00 17.79 18.34 3ito h ALA 152 CO -0.44 0.22 -0.68 1.15 0.00 0.00 0.00 179.25 179.50 3ito h THR 153 N 0.38 1.29 -0.56 0.00 2.02 -1.36 -1.95 112.91 112.73 3ito h THR 153 Ca 0.10 -1.89 -0.06 0.00 0.77 0.00 0.00 66.41 65.32 3ito h THR 153 Cb 0.01 1.95 -0.02 0.00 -1.74 0.00 0.00 68.15 68.34 3ito h THR 153 CO -0.02 0.60 0.10 0.03 0.37 0.00 0.00 175.52 176.60 3ito h ARG 154 N 0.49 0.92 -0.69 6.66 3.08 -0.73 -1.64 114.38 122.48 3ito h ARG 154 Ca -0.04 -0.24 0.02 0.00 0.07 0.00 0.00 59.98 59.79 3ito h ARG 154 Cb 1.31 -0.11 -0.04 0.00 0.08 0.00 0.00 29.97 31.21 3ito h ARG 154 CO 0.14 0.88 0.44 0.00 -1.07 0.00 0.00 179.97 180.37 3ito h ALA 155 N 1.00 0.89 -0.67 0.04 0.00 -0.86 -0.61 119.26 119.06 3ito h ALA 155 Ca 0.17 -0.03 -0.05 0.00 0.00 0.00 0.00 54.91 55.00 3ito h ALA 155 Cb 0.40 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 17.92 3ito h ALA 155 CO 0.01 0.24 0.22 0.37 0.00 0.00 0.00 179.25 180.09 3ito h GLN 156 N 0.88 1.01 -0.38 0.00 4.15 -1.09 -0.62 115.11 119.06 3ito h GLN 156 Ca 0.27 -0.19 -0.12 0.00 0.77 0.00 0.00 58.65 59.37 3ito h GLN 156 Cb -0.03 -0.16 -0.01 0.00 0.21 0.00 0.00 27.48 27.49 3ito h GLN 156 CO -0.09 0.86 -0.25 0.00 -1.93 0.00 0.00 178.83 177.42 3ito h ALA 157 N 1.26 0.84 -0.29 3.38 0.00 -0.62 -1.39 119.26 122.45 3ito h ALA 157 Ca 0.22 -0.39 -0.03 0.00 0.00 0.00 0.00 54.91 54.71 3ito h ALA 157 Cb 0.26 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.89 3ito h ALA 157 CO -0.01 0.64 0.07 0.28 0.00 0.00 0.00 179.25 180.23 3ito h VAL 158 N 0.67 1.22 -1.01 0.00 2.07 -0.77 -2.35 116.25 116.09 3ito h VAL 158 Ca 0.09 -0.73 0.02 0.00 0.82 0.00 0.00 66.70 66.90 3ito h VAL 158 Cb 0.78 1.15 -0.05 0.00 -1.52 0.00 0.00 31.29 31.64 3ito h VAL 158 CO 0.06 0.24 0.67 -0.08 0.02 0.00 0.00 177.57 178.48 3ito h GLU 159 N 0.30 1.30 -0.53 1.57 4.57 -0.91 -1.36 114.58 119.53 3ito h GLU 159 Ca 0.09 -0.08 -0.01 0.00 -1.18 0.00 0.00 59.36 58.18 3ito h GLU 159 Cb 0.29 -0.29 -0.03 0.00 -0.16 0.00 0.00 28.75 28.57 3ito h GLU 159 CO 0.00 0.86 0.30 1.25 -1.18 0.00 0.00 179.01 180.24 3ito h HIS 160 N 1.34 0.72 -0.77 0.92 2.76 -1.05 -1.26 115.15 117.80 3ito h HIS 160 Ca 0.38 -0.01 -0.02 0.00 -2.20 0.00 0.00 60.37 58.51 3ito h HIS 160 Cb -0.12 -0.23 -0.04 0.00 1.55 0.00 0.00 27.41 28.57 3ito h HIS 160 CO -0.00 0.53 0.39 -0.91 -1.30 0.00 0.00 177.93 176.63 3ito h ASN 161 N 0.71 0.99 -0.18 3.26 2.35 -0.83 -1.10 115.58 120.78 3ito h ASN 161 Ca 0.19 -0.10 -0.07 0.00 -0.55 0.00 0.00 56.30 55.76 3ito h ASN 161 Cb 0.04 -0.25 -0.02 0.00 0.05 0.00 0.00 38.32 38.14 3ito h ASN 161 CO -0.03 0.83 -0.12 -0.07 -1.65 0.00 0.00 177.43 176.39 3ito h LEU 162 N 1.09 0.53 -0.92 1.61 3.38 -0.85 -1.77 115.31 118.38 3ito h LEU 162 Ca 0.27 -0.14 -0.08 0.00 0.09 0.00 0.00 57.88 58.02 3ito h LEU 162 Cb 0.09 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 40.67 3ito h LEU 162 CO -0.04 0.68 -0.04 -0.08 0.09 0.00 0.00 178.44 179.06 3ito h GLU 163 N 0.51 0.75 -0.66 1.13 4.81 -0.32 -1.53 114.58 119.27 3ito h GLU 163 Ca 0.09 -0.21 -0.02 0.00 -0.13 0.00 0.00 59.36 59.09 3ito h GLU 163 Cb 0.50 -0.08 -0.03 0.00 0.63 0.00 0.00 28.75 29.77 3ito h GLU 163 CO 0.03 0.79 0.32 0.00 -0.73 0.00 0.00 179.01 179.42 3ito h ILE 165 N 0.94 1.27 -0.24 0.00 2.04 -0.66 -1.43 117.51 119.42 3ito h ILE 165 Ca 0.23 -1.30 0.00 0.00 1.00 0.00 0.00 64.86 64.80 3ito h ILE 165 Cb 0.10 1.00 -0.01 0.00 -0.74 0.00 0.00 36.82 37.17 3ito h ILE 165 CO -0.03 0.46 0.15 -0.33 0.00 0.00 0.00 178.15 178.40 3ito h GLU 166 N 0.90 0.30 -0.51 2.37 4.39 -0.68 -0.08 114.58 121.27 3ito h GLU 166 Ca 0.13 -0.02 0.00 0.00 0.34 0.00 0.00 59.36 59.82 3ito h GLU 166 Cb 0.71 -0.07 -0.02 0.00 -0.10 0.00 0.00 28.75 29.26 3ito h GLU 166 CO 0.05 0.20 0.32 0.82 -1.16 0.00 0.00 179.01 179.25 3ito h ILE 167 N 0.31 1.14 -0.75 3.13 2.04 -1.24 -2.77 117.51 119.37 3ito h ILE 167 Ca 0.09 -0.30 -0.01 0.00 1.00 0.00 0.00 64.86 65.64 3ito h ILE 167 Cb -0.03 0.43 -0.04 0.00 -0.74 0.00 0.00 36.82 36.44 3ito h ILE 167 CO -0.03 0.14 0.44 1.23 0.00 0.00 0.00 178.15 179.93 3ito h GLY 168 N 0.69 1.10 1.77 5.37 0.00 -0.86 -2.27 103.07 108.87 3ito h GLY 168 Ca 0.19 -0.47 -0.01 0.00 0.00 0.00 0.00 47.33 47.04 3ito h GLY 168 CO -0.04 0.46 0.10 0.50 0.00 0.00 0.00 176.54 177.56 3ito h LYS 169 N 1.03 0.30 0.00 4.80 1.57 -0.78 -0.52 116.57 122.97 3ito h LYS 169 Ca 0.27 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 59.02 3ito h LYS 169 Cb -0.01 -0.06 0.00 0.00 0.08 0.00 0.00 32.23 32.24 3ito h LYS 169 CO -0.05 0.24 0.00 0.00 -0.57 0.00 0.00 179.45 179.07 3ito h ALA 170 N 1.81 1.00 -0.01 3.86 0.00 -1.15 -3.29 119.26 121.49 3ito h ALA 170 Ca 0.08 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.99 3ito h ALA 170 Cb 0.04 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.83 3ito h ALA 170 CO -0.01 0.00 -0.02 0.44 0.00 0.00 0.00 179.25 179.66 3ito n ILE 171 N -3.02 0.00 -0.07 0.00 -5.35 -0.80 -4.79 119.36 105.32 3ito n ILE 171 Ca 0.02 -0.49 0.00 0.00 -0.27 0.00 0.00 62.75 62.02 3ito n ILE 171 Cb 0.41 1.16 0.00 0.00 -1.74 0.00 0.00 39.64 39.47 3ito n ILE 171 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3ito n GLY 172 N 0.50 0.94 3.80 3.28 0.00 -0.68 -4.60 105.19 108.43 3ito n GLY 172 Ca 0.05 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.73 3ito n GLY 172 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3ito s SER 173 N -2.06 6.30 -0.09 1.61 0.15 -0.29 -4.81 113.70 114.52 3ito s SER 173 Ca 0.00 1.91 0.13 0.00 0.70 0.00 0.00 55.95 58.69 3ito s SER 173 Cb 0.00 -2.56 0.26 0.00 -1.71 0.00 0.00 66.02 62.01 3ito s SER 173 CO 0.00 -0.81 1.13 0.29 1.20 0.00 0.00 173.24 175.05 3ito n LYS 174 N -1.07 0.76 -3.49 5.44 4.76 -1.26 -4.42 118.16 118.87 3ito n LYS 174 Ca 0.09 -2.18 -0.13 0.00 -2.87 0.00 0.00 58.31 53.22 3ito n LYS 174 Cb 0.53 -0.98 -0.04 0.00 -1.84 0.00 0.00 35.03 32.70 3ito n LYS 174 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 3ito s ALA 175 N -1.64 -1.75 -0.11 7.82 0.00 -1.26 -2.16 121.76 122.65 3ito s ALA 175 Ca 0.24 1.04 0.01 0.00 0.00 0.00 0.00 51.96 53.25 3ito s ALA 175 Cb 0.24 0.25 0.02 0.00 0.00 0.00 0.00 23.12 23.63 3ito s ALA 175 CO -0.03 -0.55 -0.11 -1.17 0.00 0.00 0.00 175.76 173.89 3ito s LEU 176 N -1.93 1.46 -0.20 0.00 2.96 -0.74 -0.21 118.68 120.01 3ito s LEU 176 Ca -0.03 -0.36 -0.09 0.00 -0.22 0.00 0.00 54.13 53.43 3ito s LEU 176 Cb -0.01 -0.96 -0.04 0.00 0.50 0.00 0.00 46.19 45.68 3ito s LEU 176 CO -0.02 -0.06 0.10 -0.89 -1.32 0.00 0.00 176.35 174.16 3ito s THR 177 N 1.38 5.06 -0.28 3.68 2.01 0.35 -0.59 115.64 127.24 3ito s THR 177 Ca 0.00 0.07 -0.02 0.00 0.31 0.00 0.00 61.69 62.05 3ito s THR 177 Cb -0.13 -3.31 0.04 0.00 0.01 0.00 0.00 72.50 69.11 3ito s THR 177 CO -0.06 0.42 -0.03 -0.69 -0.69 0.00 0.00 174.62 173.58 3ito s VAL 178 N 0.59 2.92 -0.09 3.82 1.01 0.19 -2.95 120.40 125.90 3ito s VAL 178 Ca 0.06 -1.26 0.02 0.00 0.00 0.00 0.00 61.98 60.80 3ito s VAL 178 Cb -0.12 -2.61 0.01 0.00 0.00 0.00 0.00 36.38 33.65 3ito s VAL 178 CO 0.01 0.00 -0.15 0.86 0.00 0.00 0.00 175.10 175.82 3ito s TRP 179 N 1.27 1.86 0.21 5.22 -0.00 -1.26 -1.82 118.94 124.42 3ito s TRP 179 Ca -0.03 -0.79 0.06 0.00 -0.00 0.00 0.00 56.10 55.33 3ito s TRP 179 Cb -0.19 -1.33 -0.05 0.00 -0.00 0.00 0.00 33.47 31.90 3ito s TRP 179 CO -0.02 -0.39 -0.09 0.96 -0.00 0.00 0.00 176.95 177.41 3ito s ILE 180 N 0.78 1.44 -1.49 5.86 -4.36 -1.26 -4.66 121.20 117.51 3ito s ILE 180 Ca -0.11 -2.12 0.25 0.00 -0.26 0.00 0.00 60.65 58.40 3ito s ILE 180 Cb -0.16 -2.14 0.08 0.00 1.25 0.00 0.00 42.46 41.50 3ito s ILE 180 CO 0.02 -0.52 1.35 0.61 0.24 0.00 0.00 174.94 176.64 3ito n GLY 181 N -0.38 -0.74 2.75 6.27 0.00 -1.26 -4.97 105.19 106.86 3ito n GLY 181 Ca -0.07 -0.46 -0.48 0.00 0.00 0.00 0.00 46.02 45.01 3ito n GLY 181 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3ito n ASP 182 N -0.90 0.37 0.00 1.61 9.92 -1.26 -4.10 116.55 122.19 3ito n ASP 182 Ca 0.09 0.89 0.00 0.00 -0.53 0.00 0.00 54.79 55.24 3ito n ASP 182 Cb 0.36 -0.69 0.00 0.00 -0.64 0.00 0.00 41.12 40.15 3ito n ASP 182 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 3ito n GLY 183 N 1.92 -0.80 3.17 0.44 0.00 -1.26 -1.87 105.19 106.79 3ito n GLY 183 Ca 0.19 -0.92 -0.13 0.00 0.00 0.00 0.00 46.02 45.15 3ito n GLY 183 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3ito s SER 184 N -4.00 1.35 0.00 1.61 1.04 0.64 -4.90 113.70 109.44 3ito s SER 184 Ca 0.00 -0.86 0.14 0.00 0.48 0.00 0.00 55.95 55.71 3ito s SER 184 Cb 0.00 0.03 -0.05 0.00 0.10 0.00 0.00 66.02 66.10 3ito s SER 184 CO 0.00 -0.32 0.74 0.59 0.98 0.00 0.00 173.24 175.23 3ito n ASN 185 N 0.40 1.25 -3.94 7.02 4.13 -1.26 -1.08 115.26 121.77 3ito n ASN 185 Ca -0.15 -1.13 -0.12 0.00 1.68 0.00 0.00 54.58 54.86 3ito n ASN 185 Cb 0.59 0.64 -0.13 0.00 -1.54 0.00 0.00 39.78 39.33 3ito n ASN 185 CO 0.00 0.00 0.00 -0.36 0.28 0.00 0.00 177.26 177.18 3ito s PHE 186 N -1.95 0.27 0.39 3.10 0.08 -1.26 -4.40 117.98 114.21 3ito s PHE 186 Ca 0.10 -0.22 -0.27 0.00 0.12 0.00 0.00 56.93 56.66 3ito s PHE 186 Cb 0.11 -0.18 -0.10 0.00 -0.57 0.00 0.00 43.02 42.29 3ito s PHE 186 CO 0.44 -0.06 1.39 -2.14 -0.10 0.00 0.00 175.22 174.75 3ito s PRO 187 N -0.59 4.04 0.00 0.24 0.02 -1.26 -2.01 135.00 135.44 3ito s PRO 187 Ca -0.05 2.36 0.00 0.00 0.02 0.00 0.00 61.00 63.33 3ito s PRO 187 Cb -0.04 -2.87 0.00 0.00 0.02 0.00 0.00 34.50 31.61 3ito s PRO 187 CO -0.00 -0.51 0.00 0.41 -0.33 0.00 0.00 177.00 176.57 3ito n GLY 188 N 0.61 2.82 0.31 0.52 0.00 -1.26 -4.86 105.19 103.32 3ito n GLY 188 Ca 0.02 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.12 3ito n GLY 188 CO 0.00 0.00 0.00 -1.61 0.00 0.00 0.00 173.32 171.71 3ito h GLN 189 N 0.35 0.56 -6.29 1.61 4.15 -1.84 -3.42 115.11 110.24 3ito h GLN 189 Ca 0.00 -0.03 -0.58 0.00 0.77 0.00 0.00 58.65 58.80 3ito h GLN 189 Cb 0.00 -0.13 -0.21 0.00 0.21 0.00 0.00 27.48 27.36 3ito h GLN 189 CO 0.00 0.37 -0.83 -1.12 -1.93 0.00 0.00 178.83 175.33 3ito s SER 190 N -5.39 2.78 -0.46 -0.69 0.01 -1.26 -5.09 113.70 103.60 3ito s SER 190 Ca -0.12 -0.75 -0.18 0.00 1.31 0.00 0.00 55.95 56.21 3ito s SER 190 Cb 0.22 -0.17 0.04 0.00 0.21 0.00 0.00 66.02 66.32 3ito s SER 190 CO 0.78 0.07 0.51 0.21 0.41 0.00 0.00 173.24 175.21 3ito s ASN 191 N -2.15 6.21 0.24 2.44 3.84 -1.26 -4.96 114.94 119.30 3ito s ASN 191 Ca 0.11 -0.82 -0.14 0.00 0.21 0.00 0.00 52.86 52.22 3ito s ASN 191 Cb -0.09 -2.25 0.30 0.00 -0.55 0.00 0.00 41.25 38.67 3ito s ASN 191 CO 0.05 -0.71 1.57 -0.26 -2.79 0.00 0.00 177.10 174.97 3ito h PHE 192 N 8.83 -0.71 -0.21 0.43 0.04 -1.98 -1.03 116.94 122.31 3ito h PHE 192 Ca -0.27 0.09 -0.09 0.00 2.80 0.00 0.00 57.97 60.49 3ito h PHE 192 Cb 1.10 0.44 -0.00 0.00 2.20 0.00 0.00 35.95 39.70 3ito h PHE 192 CO 0.67 -0.39 -0.23 1.15 -0.60 0.00 0.00 178.31 178.91 3ito h THR 193 N -0.03 1.33 -0.60 -1.55 2.02 -1.99 -2.60 112.91 109.49 3ito h THR 193 Ca 0.37 -1.41 -0.07 0.00 0.77 0.00 0.00 66.41 66.06 3ito h THR 193 Cb 0.62 1.77 -0.02 0.00 -1.74 0.00 0.00 68.15 68.77 3ito h THR 193 CO -0.89 0.43 0.08 0.03 0.37 0.00 0.00 175.52 175.54 3ito h ARG 194 N 0.20 0.98 -0.68 6.66 3.08 -1.87 -0.00 114.38 122.74 3ito h ARG 194 Ca 0.03 -0.25 -0.06 0.00 0.07 0.00 0.00 59.98 59.77 3ito h ARG 194 Cb 0.79 -0.12 -0.03 0.00 0.08 0.00 0.00 29.97 30.69 3ito h ARG 194 CO 0.06 0.91 0.19 0.00 -1.07 0.00 0.00 179.97 180.06 3ito h ALA 195 N 1.17 1.06 -0.26 0.04 0.00 -1.23 -0.72 119.26 119.31 3ito h ALA 195 Ca 0.18 -0.22 -0.14 0.00 0.00 0.00 0.00 54.91 54.73 3ito h ALA 195 Cb 0.42 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.94 3ito h ALA 195 CO 0.01 0.63 -0.41 0.35 0.00 0.00 0.00 179.25 179.83 3ito h PHE 196 N 1.01 0.75 -0.67 0.00 3.57 -1.06 -0.94 116.94 119.60 3ito h PHE 196 Ca 0.22 -0.22 -0.03 0.00 3.53 0.00 0.00 57.97 61.47 3ito h PHE 196 Cb 0.32 -0.16 -0.03 0.00 2.79 0.00 0.00 35.95 38.87 3ito h PHE 196 CO 0.02 0.94 0.30 0.93 -2.23 0.00 0.00 178.31 178.28 3ito h GLU 197 N 0.51 0.97 -0.50 1.11 5.08 -0.54 -0.15 114.58 121.07 3ito h GLU 197 Ca 0.04 -0.15 -0.05 0.00 -1.00 0.00 0.00 59.36 58.20 3ito h GLU 197 Cb 0.93 -0.17 -0.02 0.00 0.50 0.00 0.00 28.75 29.99 3ito h GLU 197 CO 0.08 0.78 0.12 0.00 -1.00 0.00 0.00 179.01 179.00 3ito h ARG 198 N 0.93 0.80 -0.14 2.33 3.08 -0.88 -2.02 114.38 118.47 3ito h ARG 198 Ca 0.23 -0.19 0.01 0.00 0.07 0.00 0.00 59.98 60.09 3ito h ARG 198 Cb 0.14 -0.10 -0.01 0.00 0.08 0.00 0.00 29.97 30.08 3ito h ARG 198 CO -0.03 0.77 0.07 -0.92 -1.07 0.00 0.00 179.97 178.79 3ito h TYR 199 N 0.69 0.13 -1.01 3.04 5.03 -0.80 -1.62 116.97 122.42 3ito h TYR 199 Ca 0.16 0.01 0.04 0.00 2.58 0.00 0.00 58.73 61.51 3ito h TYR 199 Cb 0.33 -0.04 -0.06 0.00 1.55 0.00 0.00 36.73 38.52 3ito h TYR 199 CO 0.02 0.07 0.66 -0.07 -1.32 0.00 0.00 178.16 177.53 3ito h LEU 200 N 0.15 1.10 -0.55 2.82 3.38 -0.89 -0.35 115.31 120.97 3ito h LEU 200 Ca 0.06 -0.01 -0.10 0.00 0.09 0.00 0.00 57.88 57.92 3ito h LEU 200 Cb 0.01 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.49 3ito h LEU 200 CO -0.04 0.75 -0.04 -1.28 0.09 0.00 0.00 178.44 177.92 3ito h SER 201 N 1.27 0.98 -0.36 -0.43 0.87 -1.05 -0.94 113.55 113.90 3ito h SER 201 Ca 0.40 -0.32 -0.08 0.00 -1.23 0.00 0.00 61.79 60.56 3ito h SER 201 Cb 0.01 -0.27 -0.01 0.00 -0.44 0.00 0.00 62.40 61.70 3ito h SER 201 CO -0.13 1.07 -0.09 0.00 -0.53 0.00 0.00 176.83 177.15 3ito h ALA 202 N 0.95 0.50 -0.14 6.23 0.00 -0.79 -2.78 119.26 123.22 3ito h ALA 202 Ca 0.15 -0.31 -0.04 0.00 0.00 0.00 0.00 54.91 54.71 3ito h ALA 202 Cb 0.59 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.25 3ito h ALA 202 CO 0.04 0.35 -0.10 0.52 0.00 0.00 0.00 179.25 180.06 3ito h MET 203 N 0.49 0.21 -0.60 0.00 2.07 -0.96 -1.35 114.93 114.79 3ito h MET 203 Ca 0.09 -0.04 -0.04 0.00 -2.07 0.00 0.00 59.70 57.64 3ito h MET 203 Cb 0.60 -0.03 -0.03 0.00 -1.87 0.00 0.00 31.60 30.28 3ito h MET 203 CO 0.04 0.32 0.23 0.00 1.07 0.00 0.00 176.91 178.57 3ito h ALA 204 N 1.70 1.28 -0.41 6.32 0.00 -0.91 0.13 119.26 127.37 3ito h ALA 204 Ca 0.04 -0.16 -0.07 0.00 0.00 0.00 0.00 54.91 54.72 3ito h ALA 204 Cb 0.32 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.85 3ito h ALA 204 CO 0.02 0.53 -0.00 0.93 0.00 0.00 0.00 179.25 180.73 3ito h GLU 205 N 0.86 0.73 -0.48 0.00 5.08 -1.04 -0.86 114.58 118.87 3ito h GLU 205 Ca 0.20 -0.23 -0.03 0.00 -1.00 0.00 0.00 59.36 58.30 3ito h GLU 205 Cb 0.18 -0.07 -0.02 0.00 0.50 0.00 0.00 28.75 29.35 3ito h GLU 205 CO -0.02 0.81 0.20 0.82 -1.00 0.00 0.00 179.01 179.82 3ito h ILE 206 N 0.56 1.21 -0.67 3.13 2.04 -0.91 -2.34 117.51 120.52 3ito h ILE 206 Ca 0.12 -0.64 0.01 0.00 1.00 0.00 0.00 64.86 65.34 3ito h ILE 206 Cb 0.48 0.73 -0.03 0.00 -0.74 0.00 0.00 36.82 37.26 3ito h ILE 206 CO 0.02 0.24 0.44 0.22 0.00 0.00 0.00 178.15 179.07 3ito h TYR 207 N 0.64 0.85 -0.51 1.37 5.03 -0.56 -1.19 116.97 122.60 3ito h TYR 207 Ca 0.16 0.02 -0.02 0.00 2.58 0.00 0.00 58.73 61.47 3ito h TYR 207 Cb 0.19 -0.29 -0.02 0.00 1.55 0.00 0.00 36.73 38.16 3ito h TYR 207 CO 0.00 0.54 0.22 -0.22 -1.32 0.00 0.00 178.16 177.38 3ito h LYS 208 N 0.91 0.73 -0.42 1.82 3.64 -0.64 -1.66 116.57 120.95 3ito h LYS 208 Ca 0.25 -0.10 0.00 0.00 -1.27 0.00 0.00 60.65 59.53 3ito h LYS 208 Cb -0.10 -0.14 0.00 0.00 -0.41 0.00 0.00 32.23 31.59 3ito h LYS 208 CO -0.05 0.59 0.00 0.41 -2.27 0.00 0.00 179.45 178.13 3ito n GLY 209 N -1.14 1.11 3.71 5.01 0.00 -0.52 -4.90 105.19 108.46 3ito n GLY 209 Ca 0.04 -0.51 -0.41 0.00 0.00 0.00 0.00 46.02 45.13 3ito n GLY 209 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3ito s LEU 210 N -1.12 4.33 0.71 0.99 2.96 -0.63 -5.03 118.68 120.90 3ito s LEU 210 Ca 0.32 1.47 -0.16 0.00 -0.22 0.00 0.00 54.13 55.54 3ito s LEU 210 Cb 0.17 -3.40 0.02 0.00 0.50 0.00 0.00 46.19 43.49 3ito s LEU 210 CO 0.23 -0.24 1.19 -2.65 -1.32 0.00 0.00 176.35 173.56 3ito n PRO 211 N 4.05 0.69 0.00 0.98 -0.02 -1.26 -4.87 135.00 134.57 3ito n PRO 211 Ca 0.04 0.30 0.06 0.00 -2.02 0.00 0.00 63.50 61.87 3ito n PRO 211 Cb 0.51 -2.43 0.33 0.00 -0.02 0.00 0.00 33.50 31.89 3ito n PRO 211 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 3ito n ASP 212 N -2.25 0.00 -0.03 2.55 10.43 -1.26 -2.05 116.55 123.93 3ito n ASP 212 Ca 0.15 -1.38 0.04 0.00 2.57 0.00 0.00 54.79 56.17 3ito n ASP 212 Cb 0.49 0.00 0.06 0.00 1.84 0.00 0.00 41.12 43.51 3ito n ASP 212 CO 0.00 0.00 0.00 -0.90 -1.07 0.00 0.00 177.20 175.23 3ito n ASP 213 N -0.70 2.10 -4.66 -2.24 5.75 -1.26 -5.03 116.55 110.51 3ito n ASP 213 Ca 0.08 -2.44 -0.24 0.00 -0.01 0.00 0.00 54.79 52.18 3ito n ASP 213 Cb 0.04 -0.18 -0.08 0.00 -1.03 0.00 0.00 41.12 39.87 3ito n ASP 213 CO 0.00 0.00 0.00 0.26 -0.11 0.00 0.00 177.20 177.35 3ito s TRP 214 N -1.76 2.60 0.15 2.11 0.52 -0.87 -4.88 118.94 116.81 3ito s TRP 214 Ca 0.13 -0.42 0.08 0.00 0.02 0.00 0.00 56.10 55.91 3ito s TRP 214 Cb 0.12 -1.53 -0.04 0.00 -1.15 0.00 0.00 33.47 30.86 3ito s TRP 214 CO 0.01 0.44 -0.17 0.15 0.02 0.00 0.00 176.95 177.40 3ito s LYS 215 N -3.75 1.21 -0.20 4.98 1.02 -0.92 -4.87 119.74 117.20 3ito s LYS 215 Ca 0.36 -1.37 0.02 0.00 0.02 0.00 0.00 55.97 55.00 3ito s LYS 215 Cb -0.01 -1.22 0.03 0.00 -0.52 0.00 0.00 37.83 36.11 3ito s LYS 215 CO 0.20 0.25 -0.17 -1.17 -0.92 0.00 0.00 175.35 173.54 3ito s LEU 216 N -2.61 2.53 -0.22 3.17 2.96 0.54 -1.79 118.68 123.26 3ito s LEU 216 Ca 0.14 -0.88 -0.07 0.00 -0.22 0.00 0.00 54.13 53.10 3ito s LEU 216 Cb -0.05 -1.50 -0.03 0.00 0.50 0.00 0.00 46.19 45.11 3ito s LEU 216 CO 0.06 -0.06 0.05 -0.36 -1.32 0.00 0.00 176.35 174.71 3ito s PHE 217 N 1.23 3.09 -0.12 5.38 0.08 0.24 -0.83 117.98 127.05 3ito s PHE 217 Ca 0.01 -0.35 -0.07 0.00 0.12 0.00 0.00 56.93 56.64 3ito s PHE 217 Cb -0.15 -2.16 -0.04 0.00 -0.57 0.00 0.00 43.02 40.10 3ito s PHE 217 CO -0.10 -0.24 0.14 -1.54 -0.10 0.00 0.00 175.22 173.38 3ito s SER 218 N 1.21 6.36 -0.19 1.36 1.04 -0.77 0.57 113.70 123.28 3ito s SER 218 Ca 0.04 0.45 -0.00 0.00 0.48 0.00 0.00 55.95 56.92 3ito s SER 218 Cb -0.14 -2.06 0.01 0.00 0.10 0.00 0.00 66.02 63.93 3ito s SER 218 CO 0.03 0.40 -0.16 -0.70 0.98 0.00 0.00 173.24 173.79 3ito s GLU 219 N -0.97 3.09 0.41 4.02 2.12 -0.76 -0.96 118.70 125.64 3ito s GLU 219 Ca 0.15 -0.78 -0.10 0.00 0.36 0.00 0.00 54.97 54.60 3ito s GLU 219 Cb -0.12 -2.67 -0.06 0.00 0.26 0.00 0.00 34.13 31.54 3ito s GLU 219 CO 0.04 -0.20 0.76 -3.38 -0.54 0.00 0.00 175.26 171.94 3ito s HIS 220 N 1.31 3.48 -0.24 5.30 -3.43 -1.26 -4.69 115.29 115.77 3ito s HIS 220 Ca 0.05 1.01 -0.14 0.00 -0.80 0.00 0.00 55.06 55.17 3ito s HIS 220 Cb -0.13 -2.42 0.07 0.00 -1.43 0.00 0.00 32.58 28.67 3ito s HIS 220 CO -0.10 -0.11 0.59 0.21 -2.00 0.00 0.00 174.74 173.32 3ito s LYS 221 N -3.91 0.60 0.14 -0.38 2.20 -0.33 -4.75 119.74 113.32 3ito s LYS 221 Ca 0.51 1.03 -0.16 0.00 -0.36 0.00 0.00 55.97 56.99 3ito s LYS 221 Cb -0.10 0.11 -0.00 0.00 -1.51 0.00 0.00 37.83 36.33 3ito s LYS 221 CO 0.32 -0.14 1.74 1.98 -0.36 0.00 0.00 175.35 178.89 3ito h MET 222 N 6.81 0.55 -3.03 4.03 1.85 -1.10 -3.34 114.93 120.70 3ito h MET 222 Ca -0.32 -0.07 0.04 0.00 -0.61 0.00 0.00 59.70 58.75 3ito h MET 222 Cb 1.21 -0.11 -0.04 0.00 0.43 0.00 0.00 31.60 33.09 3ito h MET 222 CO 0.20 0.45 0.23 1.52 -0.40 0.00 0.00 176.91 178.91 3ito s TYR 223 N -5.83 -0.10 0.03 1.39 1.13 -1.26 -4.50 117.35 108.21 3ito s TYR 223 Ca -0.13 -0.40 0.00 0.00 -1.41 0.00 0.00 57.07 55.12 3ito s TYR 223 Cb 0.10 0.72 0.00 0.00 -1.10 0.00 0.00 41.96 41.68 3ito s TYR 223 CO 0.74 -1.30 0.00 -1.91 -2.51 0.00 0.00 175.55 170.56 3ito n GLU 224 N -0.47 -1.36 0.12 -3.49 2.13 -1.26 -4.81 120.64 111.50 3ito n GLU 224 Ca -0.05 1.35 0.12 0.00 0.66 0.00 0.00 57.16 59.24 3ito n GLU 224 Cb 0.59 -1.28 0.47 0.00 0.27 0.00 0.00 31.44 31.50 3ito n GLU 224 CO 0.00 0.00 0.00 -0.35 -0.41 0.00 0.00 177.13 176.37 3ito n PRO 225 N 0.47 0.19 -2.94 5.31 -0.04 -1.26 -4.97 135.00 131.76 3ito n PRO 225 Ca 0.00 0.38 -0.40 0.00 -0.04 0.00 0.00 63.50 63.43 3ito n PRO 225 Cb 0.00 -1.84 -0.04 0.00 -0.04 0.00 0.00 33.50 31.58 3ito n PRO 225 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3ito s ALA 226 N -3.27 3.28 -1.27 0.55 0.00 -1.26 -4.97 121.76 114.82 3ito s ALA 226 Ca 0.05 0.27 0.15 0.00 0.00 0.00 0.00 51.96 52.43 3ito s ALA 226 Cb 0.10 -3.08 0.42 0.00 0.00 0.00 0.00 23.12 20.56 3ito s ALA 226 CO 0.42 -0.13 1.35 1.19 0.00 0.00 0.00 175.76 178.58 3ito n PHE 227 N 3.75 0.63 0.04 0.00 3.72 -1.22 -4.56 117.46 119.82 3ito n PHE 227 Ca 0.01 -0.50 0.00 0.00 -0.05 0.00 0.00 57.45 56.91 3ito n PHE 227 Cb 0.51 -0.02 0.00 0.00 -0.94 0.00 0.00 39.48 39.03 3ito n PHE 227 CO 0.00 0.00 0.00 0.98 -0.05 0.00 0.00 176.76 177.69 3ito n TYR 228 N 0.89 -0.35 -4.02 1.38 9.36 -0.24 -4.93 117.16 119.25 3ito n TYR 228 Ca 0.16 0.06 -0.08 0.00 3.32 0.00 0.00 57.90 61.36 3ito n TYR 228 Cb 0.49 0.13 -0.10 0.00 -0.63 0.00 0.00 39.34 39.23 3ito n TYR 228 CO 0.00 0.00 0.00 -1.54 0.22 0.00 0.00 176.86 175.54 3ito s SER 229 N -5.44 0.34 -0.03 2.98 1.04 -0.35 -4.97 113.70 107.26 3ito s SER 229 Ca 0.00 -0.71 0.02 0.00 0.48 0.00 0.00 55.95 55.74 3ito s SER 229 Cb 0.00 0.16 0.01 0.00 0.10 0.00 0.00 66.02 66.29 3ito s SER 229 CO 0.00 -0.45 -0.07 -0.89 0.98 0.00 0.00 173.24 172.81 3ito s THR 230 N -2.62 0.66 0.10 2.02 2.01 -1.26 -0.26 115.64 116.29 3ito s THR 230 Ca -0.05 -0.26 -0.33 0.00 0.31 0.00 0.00 61.69 61.36 3ito s THR 230 Cb -0.01 -0.63 -0.13 0.00 0.01 0.00 0.00 72.50 71.74 3ito s THR 230 CO -0.05 0.23 1.58 0.58 -0.69 0.00 0.00 174.62 176.27 3ito h VAL 231 N 5.70 0.12 -2.73 3.82 2.07 -1.71 -2.99 116.25 120.54 3ito h VAL 231 Ca -0.35 0.00 -0.79 0.00 0.82 0.00 0.00 66.70 66.38 3ito h VAL 231 Cb 1.17 0.12 -0.25 0.00 -1.52 0.00 0.00 31.29 30.81 3ito h VAL 231 CO 0.48 0.00 0.98 0.52 0.02 0.00 0.00 177.57 179.57 3ito n VAL 232 N -5.50 4.90 0.07 2.57 0.31 -1.26 -4.82 118.33 114.60 3ito n VAL 232 Ca -0.09 -5.44 -0.05 0.00 -0.01 0.00 0.00 64.34 58.75 3ito n VAL 232 Cb 0.41 -2.28 -0.09 0.00 -0.91 0.00 0.00 33.84 30.97 3ito n VAL 232 CO 0.00 0.00 0.00 0.06 -1.32 0.00 0.00 176.83 175.57 3ito h GLN 233 N 5.91 0.00 0.00 5.55 -0.00 -1.65 -0.86 115.11 124.06 3ito h GLN 233 Ca 0.24 0.00 -0.24 0.00 -0.00 0.00 0.00 58.65 58.65 3ito h GLN 233 Cb 0.70 0.00 -0.05 0.00 -0.00 0.00 0.00 27.48 28.12 3ito h GLN 233 CO 1.31 0.83 -0.07 -0.40 -0.00 0.00 0.00 178.83 180.49 3ito n ASP 234 N -3.28 -1.57 0.27 0.06 5.68 -1.26 -2.42 116.55 114.02 3ito n ASP 234 Ca -0.02 -2.89 0.14 0.00 -0.50 0.00 0.00 54.79 51.53 3ito n ASP 234 Cb 0.91 2.85 0.72 0.00 -1.14 0.00 0.00 41.12 44.45 3ito n ASP 234 CO 0.00 0.00 0.00 4.11 -1.33 0.00 0.00 177.20 179.98 3ito h TRP 235 N 2.04 0.00 -0.08 2.11 5.08 -1.95 -1.28 115.95 121.87 3ito h TRP 235 Ca -0.29 0.00 -0.02 0.00 1.08 0.00 0.00 58.89 59.66 3ito h TRP 235 Cb 1.23 0.00 -0.00 0.00 -3.00 0.00 0.00 29.16 27.38 3ito h TRP 235 CO 0.00 0.11 -0.02 0.78 -1.28 0.00 0.00 178.44 178.03 3ito h GLY 236 N 1.20 0.16 1.05 11.11 0.00 -1.99 0.19 103.07 114.79 3ito h GLY 236 Ca -0.00 -0.14 -0.07 0.00 0.00 0.00 0.00 47.33 47.12 3ito h GLY 236 CO 0.01 0.12 0.12 -0.84 0.00 0.00 0.00 176.54 175.95 3ito h THR 237 N -0.18 1.26 -0.90 4.70 2.02 -1.89 -2.33 112.91 115.59 3ito h THR 237 Ca 0.02 -1.01 0.01 0.00 0.77 0.00 0.00 66.41 66.20 3ito h THR 237 Cb 0.42 0.67 -0.04 0.00 -1.74 0.00 0.00 68.15 67.45 3ito h THR 237 CO 0.01 0.38 0.58 -1.13 0.37 0.00 0.00 175.52 175.73 3ito h ASN 238 N 0.97 1.04 -0.55 4.18 -1.24 -1.05 -1.29 115.58 117.66 3ito h ASN 238 Ca 0.20 -0.03 -0.07 0.00 0.71 0.00 0.00 56.30 57.10 3ito h ASN 238 Cb 0.42 -0.26 -0.02 0.00 0.73 0.00 0.00 38.32 39.19 3ito h ASN 238 CO 0.01 0.76 0.05 0.22 -1.29 0.00 0.00 177.43 177.18 3ito h TYR 239 N 1.22 1.00 -0.81 0.67 3.20 -0.31 -1.31 116.97 120.63 3ito h TYR 239 Ca 0.33 -0.15 0.01 0.00 3.14 0.00 0.00 58.73 62.05 3ito h TYR 239 Cb -0.12 -0.27 -0.04 0.00 1.54 0.00 0.00 36.73 37.84 3ito h TYR 239 CO 0.00 0.90 0.54 -0.07 -1.64 0.00 0.00 178.16 177.89 3ito h LEU 240 N 0.81 0.93 0.70 2.82 3.38 -0.86 0.19 115.31 123.29 3ito h LEU 240 Ca 0.16 -0.02 -0.03 0.00 0.09 0.00 0.00 57.88 58.07 3ito h LEU 240 Cb 0.46 -0.23 0.01 0.00 0.09 0.00 0.00 40.66 40.99 3ito h LEU 240 CO 0.02 0.67 -0.34 0.40 0.09 0.00 0.00 178.44 179.28 3ito h ILE 241 N 1.10 0.09 -0.55 1.22 2.04 -0.86 -1.31 117.51 119.22 3ito h ILE 241 Ca 0.30 -0.28 0.09 0.00 1.00 0.00 0.00 64.86 65.97 3ito h ILE 241 Cb -0.12 0.12 -0.07 0.00 -0.74 0.00 0.00 36.82 36.00 3ito h ILE 241 CO -0.07 0.01 0.16 0.00 0.00 0.00 0.00 178.15 178.25 3ito h ALA 242 N -1.13 0.67 -0.73 1.87 0.00 -1.08 0.22 119.26 119.07 3ito h ALA 242 Ca -0.10 0.10 -0.04 0.00 0.00 0.00 0.00 54.91 54.87 3ito h ALA 242 Cb 0.74 0.11 -0.03 0.00 0.00 0.00 0.00 17.79 18.61 3ito h ALA 242 CO 0.16 -0.26 0.28 0.37 0.00 0.00 0.00 179.25 179.80 3ito h GLN 243 N 0.31 1.10 -0.21 0.00 5.75 -1.00 -2.62 115.11 118.44 3ito h GLN 243 Ca 0.28 -0.20 -0.08 0.00 -0.15 0.00 0.00 58.65 58.50 3ito h GLN 243 Cb 0.37 -0.18 -0.00 0.00 1.07 0.00 0.00 27.48 28.74 3ito h GLN 243 CO -0.33 0.90 -0.20 1.15 -2.65 0.00 0.00 178.83 177.71 3ito h THR 244 N 1.07 1.33 -0.23 2.39 2.02 -0.36 -3.34 112.91 115.79 3ito h THR 244 Ca 0.25 -1.35 -0.02 0.00 0.77 0.00 0.00 66.41 66.05 3ito h THR 244 Cb 0.22 1.74 -0.01 0.00 -1.74 0.00 0.00 68.15 68.36 3ito h THR 244 CO -0.02 0.41 0.06 -0.07 0.37 0.00 0.00 175.52 176.28 3ito h LEU 245 N 0.17 0.34 0.00 2.58 3.38 -0.88 -3.50 115.31 117.40 3ito h LEU 245 Ca 0.03 -0.22 0.00 0.00 0.09 0.00 0.00 57.88 57.79 3ito h LEU 245 Cb 0.74 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 41.40 3ito h LEU 245 CO 0.05 0.46 0.00 0.61 0.09 0.00 0.00 178.44 179.65 3ito n GLY 246 N -0.57 1.52 0.42 0.83 0.00 -1.00 -4.92 105.19 101.47 3ito n GLY 246 Ca -0.04 -1.77 0.22 0.00 0.00 0.00 0.00 46.02 44.44 3ito n GLY 246 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 3ito h PRO 247 N 0.00 0.32 -0.00 1.61 0.11 -1.91 -0.37 132.00 131.76 3ito h PRO 247 Ca 0.00 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 66.09 3ito h PRO 247 Cb 0.00 -0.07 0.00 0.00 0.11 0.00 0.00 31.00 31.04 3ito h PRO 247 CO 0.00 0.21 -0.07 1.63 -0.21 0.00 0.00 178.00 179.56 3ito n LYS 248 N -4.50 0.65 -3.79 1.05 5.02 -1.26 -4.81 118.16 110.52 3ito n LYS 248 Ca 0.22 -0.16 -0.35 0.00 -2.02 0.00 0.00 58.31 56.00 3ito n LYS 248 Cb 0.82 -1.50 -0.08 0.00 -0.02 0.00 0.00 35.03 34.25 3ito n LYS 248 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3ito s ALA 249 N -2.46 3.63 0.23 7.82 0.00 -0.15 -0.34 121.76 130.49 3ito s ALA 249 Ca 0.30 -0.71 0.00 0.00 0.00 0.00 0.00 51.96 51.56 3ito s ALA 249 Cb 0.20 -2.12 -0.04 0.00 0.00 0.00 0.00 23.12 21.17 3ito s ALA 249 CO 0.46 0.16 0.18 -0.65 0.00 0.00 0.00 175.76 175.91 3ito s GLN 250 N 0.37 1.35 -0.10 0.00 -0.21 -0.01 -4.71 119.66 116.35 3ito s GLN 250 Ca 0.07 -1.70 -0.05 0.00 0.02 0.00 0.00 55.36 53.69 3ito s GLN 250 Cb -0.11 0.29 -0.04 0.00 1.00 0.00 0.00 33.01 34.15 3ito s GLN 250 CO -0.01 -0.46 0.12 0.00 -2.12 0.00 0.00 175.29 172.81 3ito s LEU 252 N -1.13 3.39 -0.31 0.00 0.20 -0.14 -0.17 118.68 120.53 3ito s LEU 252 Ca 0.16 -0.08 -0.09 0.00 0.69 0.00 0.00 54.13 54.81 3ito s LEU 252 Cb -0.12 -1.83 -0.01 0.00 -0.43 0.00 0.00 46.19 43.80 3ito s LEU 252 CO 0.06 0.16 0.14 -0.69 -0.29 0.00 0.00 176.35 175.73 3ito s VAL 253 N 0.41 4.52 -0.30 1.68 1.01 -0.09 -4.04 120.40 123.59 3ito s VAL 253 Ca -0.02 -0.44 -0.10 0.00 0.00 0.00 0.00 61.98 61.42 3ito s VAL 253 Cb -0.14 -3.30 -0.01 0.00 0.00 0.00 0.00 36.38 32.93 3ito s VAL 253 CO 0.02 0.08 0.15 -0.62 0.00 0.00 0.00 175.10 174.73 3ito s ASP 254 N 1.60 5.59 0.34 3.32 -1.08 -1.26 -1.10 116.67 124.07 3ito s ASP 254 Ca 0.04 -0.44 0.13 0.00 -0.52 0.00 0.00 52.55 51.77 3ito s ASP 254 Cb -0.17 -2.02 1.05 0.00 -1.46 0.00 0.00 42.92 40.32 3ito s ASP 254 CO 0.06 -0.17 1.67 -0.07 0.52 0.00 0.00 175.17 177.18 3ito h LEU 255 N 8.35 0.52 -1.14 -1.34 3.38 -1.76 -1.10 115.31 122.23 3ito h LEU 255 Ca -0.33 0.18 0.00 0.00 0.09 0.00 0.00 57.88 57.82 3ito h LEU 255 Cb 1.15 0.13 0.00 0.00 0.09 0.00 0.00 40.66 42.03 3ito h LEU 255 CO 0.61 -0.10 0.00 0.61 0.09 0.00 0.00 178.44 179.65 3ito n GLY 256 N -1.30 0.55 1.88 0.83 0.00 -1.26 -4.25 105.19 101.65 3ito n GLY 256 Ca 0.31 -0.30 0.07 0.00 0.00 0.00 0.00 46.02 46.10 3ito n GLY 256 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 3ito n HIS 257 N 0.27 2.05 -4.36 1.61 8.25 -0.42 -3.71 115.22 118.91 3ito n HIS 257 Ca 0.09 -0.72 -0.23 0.00 -0.26 0.00 0.00 57.72 56.60 3ito n HIS 257 Cb 0.29 -0.50 -0.08 0.00 1.12 0.00 0.00 29.99 30.82 3ito n HIS 257 CO 0.00 0.00 0.00 -1.01 0.64 0.00 0.00 176.34 175.97 3ito s HIS 258 N -2.70 2.53 0.76 4.41 3.76 -1.26 -2.27 115.29 120.53 3ito s HIS 258 Ca 0.55 -0.27 -0.14 0.00 -0.15 0.00 0.00 55.06 55.04 3ito s HIS 258 Cb 0.41 -1.13 0.06 0.00 1.11 0.00 0.00 32.58 33.03 3ito s HIS 258 CO 0.17 0.65 1.21 0.00 -0.85 0.00 0.00 174.74 175.92 3ito s ALA 259 N -2.41 2.00 0.23 -1.40 0.00 -1.26 -4.88 121.76 114.04 3ito s ALA 259 Ca 0.31 0.89 -0.31 0.00 0.00 0.00 0.00 51.96 52.85 3ito s ALA 259 Cb -0.06 -3.49 -0.14 0.00 0.00 0.00 0.00 23.12 19.44 3ito s ALA 259 CO 0.18 -2.07 1.32 -2.30 0.00 0.00 0.00 175.76 172.89 3ito n PRO 260 N -2.96 1.80 -0.87 0.00 -0.02 -1.26 -1.96 135.00 129.74 3ito n PRO 260 Ca 0.14 0.64 0.00 0.00 -2.02 0.00 0.00 63.50 62.26 3ito n PRO 260 Cb 0.50 -2.24 0.00 0.00 -0.02 0.00 0.00 33.50 31.74 3ito n PRO 260 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 3ito n ASN 261 N 2.01 -1.25 -4.65 2.55 3.02 -1.26 -4.99 115.26 110.68 3ito n ASN 261 Ca 0.12 0.00 -0.42 0.00 -0.03 0.00 0.00 54.58 54.25 3ito n ASN 261 Cb 0.30 -1.17 0.01 0.00 -0.61 0.00 0.00 39.78 38.31 3ito n ASN 261 CO 0.00 0.00 0.00 0.41 -2.62 0.00 0.00 177.26 175.05 3ito n THR 262 N -2.19 2.39 -2.92 3.41 -1.04 -0.83 -4.89 114.28 108.22 3ito n THR 262 Ca 0.00 -0.50 -0.44 0.00 -2.04 0.00 0.00 64.05 61.07 3ito n THR 262 Cb 0.06 -1.33 -0.03 0.00 -1.82 0.00 0.00 70.33 67.21 3ito n THR 262 CO 0.00 0.00 0.00 0.21 -0.64 0.00 0.00 175.07 174.64 3ito s ASN 263 N -0.60 6.47 0.15 8.00 3.84 -1.26 -4.87 114.94 126.66 3ito s ASN 263 Ca 0.61 -1.72 -0.13 0.00 0.21 0.00 0.00 52.86 51.84 3ito s ASN 263 Cb -0.56 -2.40 0.01 0.00 -0.55 0.00 0.00 41.25 37.76 3ito s ASN 263 CO 0.58 -1.17 1.59 0.40 -2.79 0.00 0.00 177.10 175.71 3ito h ILE 264 N 5.87 1.26 -0.31 -5.21 2.04 -1.98 -2.96 117.51 116.23 3ito h ILE 264 Ca 0.00 -1.10 0.09 0.00 1.00 0.00 0.00 64.86 64.85 3ito h ILE 264 Cb 1.04 1.02 -0.01 0.00 -0.74 0.00 0.00 36.82 38.13 3ito h ILE 264 CO 1.13 0.38 0.22 1.05 0.00 0.00 0.00 178.15 180.93 3ito h GLU 265 N 0.71 0.02 -0.33 2.37 9.09 -1.90 -0.45 114.58 124.10 3ito h GLU 265 Ca 0.13 -0.00 -0.16 0.00 0.05 0.00 0.00 59.36 59.38 3ito h GLU 265 Cb 0.53 -0.01 -0.01 0.00 -1.65 0.00 0.00 28.75 27.62 3ito h GLU 265 CO 0.03 0.02 -0.43 1.98 0.05 0.00 0.00 179.01 180.66 3ito h MET 266 N 0.03 0.82 -0.77 1.06 4.05 -1.92 -1.96 114.93 116.24 3ito h MET 266 Ca 0.15 -0.45 0.01 0.00 -0.28 0.00 0.00 59.70 59.13 3ito h MET 266 Cb 0.55 0.02 -0.04 0.00 -0.80 0.00 0.00 31.60 31.34 3ito h MET 266 CO -0.01 1.08 0.51 0.82 0.23 0.00 0.00 176.91 179.54 3ito h ILE 267 N 0.66 1.18 -0.39 1.77 2.04 -1.10 -0.29 117.51 121.39 3ito h ILE 267 Ca 0.05 -0.35 0.02 0.00 1.00 0.00 0.00 64.86 65.58 3ito h ILE 267 Cb 1.00 0.07 -0.03 0.00 -0.74 0.00 0.00 36.82 37.12 3ito h ILE 267 CO 0.10 0.19 0.21 0.58 0.00 0.00 0.00 178.15 179.22 3ito h VAL 268 N 1.02 1.01 -0.54 1.67 2.07 -1.19 -1.46 116.25 118.83 3ito h VAL 268 Ca 0.29 -0.15 -0.02 0.00 0.82 0.00 0.00 66.70 67.64 3ito h VAL 268 Cb -0.09 0.55 -0.02 0.00 -1.52 0.00 0.00 31.29 30.20 3ito h VAL 268 CO -0.07 0.08 0.27 0.00 0.02 0.00 0.00 177.57 177.87 3ito h ALA 269 N 1.19 0.69 -0.39 1.67 0.00 -0.62 -1.91 119.26 119.89 3ito h ALA 269 Ca 0.16 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.96 3ito h ALA 269 Cb 0.04 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.59 3ito h ALA 269 CO -0.09 0.24 0.25 0.00 0.00 0.00 0.00 179.25 179.65 3ito h ARG 270 N 0.72 0.52 -0.75 0.00 2.47 -0.77 -0.80 114.38 115.78 3ito h ARG 270 Ca 0.19 -0.03 -0.06 0.00 -1.26 0.00 0.00 59.98 58.81 3ito h ARG 270 Cb 0.10 -0.11 -0.03 0.00 -1.65 0.00 0.00 29.97 28.27 3ito h ARG 270 CO -0.03 0.35 0.24 -0.07 0.56 0.00 0.00 179.97 181.03 3ito h LEU 271 N 0.52 1.08 -0.30 3.04 3.38 -1.13 -2.41 115.31 119.50 3ito h LEU 271 Ca 0.14 -0.20 -0.01 0.00 0.09 0.00 0.00 57.88 57.89 3ito h LEU 271 Cb -0.05 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.41 3ito h LEU 271 CO -0.03 1.00 0.14 0.40 0.09 0.00 0.00 178.44 180.04 3ito h ILE 272 N 1.10 1.16 -0.74 1.22 2.04 -1.03 0.17 117.51 121.44 3ito h ILE 272 Ca 0.24 -0.46 0.11 0.00 1.00 0.00 0.00 64.86 65.75 3ito h ILE 272 Cb 0.30 0.91 -0.05 0.00 -0.74 0.00 0.00 36.82 37.23 3ito h ILE 272 CO -0.01 0.16 0.49 -0.61 0.00 0.00 0.00 178.15 178.18 3ito h GLN 273 N 0.35 0.58 -0.56 2.37 4.15 -0.89 -0.63 115.11 120.49 3ito h GLN 273 Ca 0.10 -0.03 0.00 0.00 0.77 0.00 0.00 58.65 59.49 3ito h GLN 273 Cb 0.13 -0.13 0.00 0.00 0.21 0.00 0.00 27.48 27.69 3ito h GLN 273 CO -0.01 0.38 0.00 1.19 -1.93 0.00 0.00 178.83 178.46 3ito n PHE 274 N -4.50 1.73 -2.39 3.99 3.72 -0.93 -4.96 117.46 114.12 3ito n PHE 274 Ca 0.13 -0.70 -0.19 0.00 -0.05 0.00 0.00 57.45 56.64 3ito n PHE 274 Cb 0.37 -0.39 -0.01 0.00 -0.94 0.00 0.00 39.48 38.51 3ito n PHE 274 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3ito n GLY 275 N 0.66 -0.45 0.20 1.37 0.00 -0.24 -4.90 105.19 101.83 3ito n GLY 275 Ca 0.26 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.36 3ito n GLY 275 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3ito n LYS 276 N -2.94 1.81 -2.89 1.61 4.76 0.48 -4.92 118.16 116.06 3ito n LYS 276 Ca -0.22 -2.45 -0.43 0.00 -2.87 0.00 0.00 58.31 52.33 3ito n LYS 276 Cb 0.67 -1.48 -0.04 0.00 -1.84 0.00 0.00 35.03 32.34 3ito n LYS 276 CO 0.00 0.00 0.00 -1.17 -1.37 0.00 0.00 177.40 174.86 3ito s LEU 277 N -2.55 4.59 0.03 -0.35 2.96 -1.20 -0.39 118.68 121.77 3ito s LEU 277 Ca 0.29 -1.21 -0.15 0.00 -0.22 0.00 0.00 54.13 52.84 3ito s LEU 277 Cb 0.25 -2.40 -0.35 0.00 0.50 0.00 0.00 46.19 44.18 3ito s LEU 277 CO 0.04 -1.35 1.00 1.23 -1.32 0.00 0.00 176.35 175.95 3ito h GLY 278 N 11.07 0.60 -1.29 7.98 0.00 -0.85 -3.43 103.07 117.13 3ito h GLY 278 Ca -0.21 -1.52 0.25 0.00 0.00 0.00 0.00 47.33 45.85 3ito h GLY 278 CO 1.16 1.33 0.65 0.61 0.00 0.00 0.00 176.54 180.30 3ito n GLY 279 N 1.71 0.29 3.27 4.60 0.00 -1.12 -1.36 105.19 112.58 3ito n GLY 279 Ca -0.17 -0.97 -0.22 0.00 0.00 0.00 0.00 46.02 44.67 3ito n GLY 279 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3ito s PHE 280 N -2.23 1.63 -0.26 1.61 0.08 0.31 -0.91 117.98 118.21 3ito s PHE 280 Ca 0.21 -0.46 0.02 0.00 0.12 0.00 0.00 56.93 56.82 3ito s PHE 280 Cb -0.00 -0.87 0.07 0.00 -0.57 0.00 0.00 43.02 41.64 3ito s PHE 280 CO -0.01 0.20 -0.05 -1.01 -0.10 0.00 0.00 175.22 174.24 3ito s HIS 281 N -1.52 2.83 0.16 0.36 3.76 -0.26 -1.75 115.29 118.87 3ito s HIS 281 Ca 0.07 -2.10 -0.15 0.00 -0.15 0.00 0.00 55.06 52.73 3ito s HIS 281 Cb -0.08 -1.87 -0.07 0.00 1.11 0.00 0.00 32.58 31.67 3ito s HIS 281 CO 0.04 -0.84 0.57 -0.06 -0.85 0.00 0.00 174.74 173.61 3ito s PHE 282 N 1.25 3.59 0.00 1.40 0.08 0.12 -2.22 117.98 122.20 3ito s PHE 282 Ca -0.04 1.09 0.00 0.00 0.12 0.00 0.00 56.93 58.09 3ito s PHE 282 Cb -0.19 -2.39 0.00 0.00 -0.57 0.00 0.00 43.02 39.87 3ito s PHE 282 CO -0.07 0.40 0.00 0.27 -0.10 0.00 0.00 175.22 175.72 3ito n ASN 283 N 0.70 0.00 -4.45 1.36 0.23 -1.26 -1.02 115.26 110.82 3ito n ASN 283 Ca -0.04 0.00 -0.23 0.00 -0.53 0.00 0.00 54.58 53.78 3ito n ASN 283 Cb 0.52 0.00 -0.10 0.00 -2.08 0.00 0.00 39.78 38.11 3ito n ASN 283 CO 0.00 0.00 0.00 -0.62 -0.93 0.00 0.00 177.26 175.71 3ito s ASP 284 N 0.00 2.59 0.05 0.53 -1.08 -0.06 -4.62 116.67 114.08 3ito s ASP 284 Ca 0.00 -1.41 -0.28 0.00 -0.52 0.00 0.00 52.55 50.34 3ito s ASP 284 Cb 0.00 -0.05 0.09 0.00 -1.46 0.00 0.00 42.92 41.50 3ito s ASP 284 CO 0.00 -0.62 1.07 -0.94 0.52 0.00 0.00 175.17 175.20 3ito s SER 285 N -3.53 -0.16 0.00 -0.34 1.04 -1.26 -1.57 113.70 107.88 3ito s SER 285 Ca 0.35 -0.24 0.00 0.00 0.48 0.00 0.00 55.95 56.54 3ito s SER 285 Cb 0.08 0.35 0.00 0.00 0.10 0.00 0.00 66.02 66.55 3ito s SER 285 CO 0.15 -0.63 0.00 1.17 0.98 0.00 0.00 173.24 174.92 3ito n LYS 286 N -0.42 1.00 0.00 4.02 4.81 -1.26 -4.77 118.16 121.54 3ito n LYS 286 Ca -0.07 0.00 -0.02 0.00 -0.87 0.00 0.00 58.31 57.35 3ito n LYS 286 Cb 0.61 -0.63 -0.01 0.00 0.02 0.00 0.00 35.03 35.03 3ito n LYS 286 CO 0.00 0.00 0.00 0.66 1.17 0.00 0.00 177.40 179.23 3ito n TYR 287 N -0.93 0.00 0.00 5.64 4.01 -1.26 -5.10 117.16 119.52 3ito n TYR 287 Ca 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.74 3ito n TYR 287 Cb 0.13 -0.11 0.00 0.00 -0.31 0.00 0.00 39.34 39.05 3ito n TYR 287 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3ito n GLY 288 N 2.87 4.42 2.76 2.72 0.00 -1.26 -4.93 105.19 111.78 3ito n GLY 288 Ca -0.03 -0.78 -0.42 0.00 0.00 0.00 0.00 46.02 44.79 3ito n GLY 288 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 3ito n ASP 289 N 0.00 5.97 0.28 1.61 2.03 -1.24 -4.76 116.55 120.44 3ito n ASP 289 Ca 0.00 -3.13 0.15 0.00 0.52 0.00 0.00 54.79 52.33 3ito n ASP 289 Cb 0.00 -1.44 0.83 0.00 -0.72 0.00 0.00 41.12 39.80 3ito n ASP 289 CO 0.00 0.00 0.00 0.44 -1.92 0.00 0.00 177.20 175.72 3ito h ASP 290 N 5.40 0.00 -4.88 1.67 3.32 -1.84 -3.47 116.42 116.62 3ito h ASP 290 Ca 0.47 0.00 -0.40 0.00 0.02 0.00 0.00 57.03 57.13 3ito h ASP 290 Cb 0.54 0.00 0.01 0.00 0.22 0.00 0.00 39.33 40.10 3ito h ASP 290 CO 1.58 0.07 -0.59 0.47 -1.72 0.00 0.00 179.24 179.04 3ito n ASP 291 N -3.56 -5.24 -4.90 6.45 8.00 -1.22 -4.76 116.55 111.32 3ito n ASP 291 Ca -0.02 -0.33 -0.29 0.00 0.71 0.00 0.00 54.79 54.86 3ito n ASP 291 Cb 0.19 -4.25 0.07 0.00 -0.02 0.00 0.00 41.12 37.10 3ito n ASP 291 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 3ito s LEU 292 N -6.63 2.75 0.11 0.64 1.43 -0.61 -0.86 118.68 115.51 3ito s LEU 292 Ca 0.35 0.85 -0.34 0.00 -1.03 0.00 0.00 54.13 53.96 3ito s LEU 292 Cb -0.17 -3.50 -0.14 0.00 0.03 0.00 0.00 46.19 42.41 3ito s LEU 292 CO 0.43 -1.59 1.59 0.47 0.23 0.00 0.00 176.35 177.48 3ito n ASP 293 N -3.09 2.91 -4.63 2.29 9.92 -1.26 -0.88 116.55 121.81 3ito n ASP 293 Ca 0.07 1.07 -0.47 0.00 -0.53 0.00 0.00 54.79 54.93 3ito n ASP 293 Cb 0.59 -1.38 -0.04 0.00 -0.64 0.00 0.00 41.12 39.66 3ito n ASP 293 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 3ito n ALA 294 N 3.77 0.25 -0.51 2.24 0.00 -1.26 -1.52 120.51 123.47 3ito n ALA 294 Ca 0.18 0.45 0.00 0.00 0.00 0.00 0.00 53.44 54.07 3ito n ALA 294 Cb 0.27 -2.18 0.00 0.00 0.00 0.00 0.00 19.45 17.54 3ito n ALA 294 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3ito n GLY 295 N 2.34 1.37 0.25 0.00 0.00 -1.26 -4.77 105.19 103.11 3ito n GLY 295 Ca 0.14 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.29 3ito n GLY 295 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ito h ALA 296 N 0.00 1.03 0.00 4.61 0.00 -1.64 -3.26 119.26 120.00 3ito h ALA 296 Ca 0.00 -0.12 -0.24 0.00 0.00 0.00 0.00 54.91 54.56 3ito h ALA 296 Cb 0.00 -0.02 -0.04 0.00 0.00 0.00 0.00 17.79 17.73 3ito h ALA 296 CO 0.00 0.16 -1.78 -0.89 0.00 0.00 0.00 179.25 176.74 3ito n ILE 297 N -3.29 0.77 -3.59 0.00 2.08 -1.26 -4.92 119.36 109.15 3ito n ILE 297 Ca 0.00 -0.20 -0.27 0.00 0.56 0.00 0.00 62.75 62.84 3ito n ILE 297 Cb 0.37 -1.68 -0.11 0.00 -0.75 0.00 0.00 39.64 37.47 3ito n ILE 297 CO 0.00 0.00 0.00 -1.61 0.56 0.00 0.00 176.55 175.50 3ito s GLU 298 N -2.26 1.51 0.43 0.38 2.02 -1.26 -4.98 118.70 114.55 3ito s GLU 298 Ca -0.20 -2.58 0.10 0.00 0.02 0.00 0.00 54.97 52.31 3ito s GLU 298 Cb 0.08 -2.21 0.93 0.00 0.10 0.00 0.00 34.13 33.03 3ito s GLU 298 CO 0.25 -1.34 2.02 -1.00 0.02 0.00 0.00 175.26 175.20 3ito h PRO 299 N 5.57 0.26 -0.46 0.39 0.13 -1.91 -2.96 132.00 133.03 3ito h PRO 299 Ca 0.22 -0.03 -0.08 0.00 -0.87 0.00 0.00 66.00 65.23 3ito h PRO 299 Cb 0.85 -0.05 -0.02 0.00 0.13 0.00 0.00 31.00 31.91 3ito h PRO 299 CO 0.51 0.27 -0.04 -0.92 -0.23 0.00 0.00 178.00 177.59 3ito h TYR 300 N 0.26 0.92 -0.96 1.56 3.20 -1.93 -1.92 116.97 118.10 3ito h TYR 300 Ca 0.06 -0.17 0.07 0.00 3.14 0.00 0.00 58.73 61.83 3ito h TYR 300 Cb 0.15 -0.23 -0.06 0.00 1.54 0.00 0.00 36.73 38.13 3ito h TYR 300 CO 0.00 0.90 0.62 -0.09 -1.64 0.00 0.00 178.16 177.95 3ito h ARG 301 N 0.67 1.07 -0.49 1.82 2.43 -1.95 0.27 114.38 118.20 3ito h ARG 301 Ca 0.12 -0.06 -0.05 0.00 -0.81 0.00 0.00 59.98 59.18 3ito h ARG 301 Cb 0.56 -0.24 -0.02 0.00 -0.42 0.00 0.00 29.97 29.85 3ito h ARG 301 CO 0.03 0.71 0.12 1.25 -1.51 0.00 0.00 179.97 180.57 3ito h LEU 302 N 1.10 0.74 -0.56 3.80 5.85 -1.41 -1.71 115.31 123.11 3ito h LEU 302 Ca 0.41 -0.23 0.00 0.00 0.84 0.00 0.00 57.88 58.90 3ito h LEU 302 Cb 0.19 -0.19 -0.03 0.00 0.37 0.00 0.00 40.66 41.00 3ito h LEU 302 CO -0.16 0.78 0.35 0.15 -0.34 0.00 0.00 178.44 179.22 3ito h PHE 303 N 0.66 0.73 -0.10 1.25 3.57 -0.40 -2.23 116.94 120.42 3ito h PHE 303 Ca 0.15 0.01 -0.03 0.00 3.53 0.00 0.00 57.97 61.63 3ito h PHE 303 Cb 0.33 -0.24 -0.01 0.00 2.79 0.00 0.00 35.95 38.81 3ito h PHE 303 CO 0.02 0.48 -0.09 -0.07 -2.23 0.00 0.00 178.31 176.43 3ito h LEU 304 N 0.76 0.13 -0.18 0.59 3.38 -0.17 0.26 115.31 120.09 3ito h LEU 304 Ca 0.20 -0.02 -0.05 0.00 0.09 0.00 0.00 57.88 58.10 3ito h LEU 304 Cb -0.04 -0.03 -0.00 0.00 0.09 0.00 0.00 40.66 40.67 3ito h LEU 304 CO -0.04 0.25 -0.10 0.58 0.09 0.00 0.00 178.44 179.22 3ito h VAL 305 N 0.14 1.31 0.00 1.22 2.07 -0.87 -2.84 116.25 117.29 3ito h VAL 305 Ca 0.03 -1.16 -0.06 0.00 0.82 0.00 0.00 66.70 66.33 3ito h VAL 305 Cb 0.25 1.69 -0.01 0.00 -1.52 0.00 0.00 31.29 31.71 3ito h VAL 305 CO 0.01 0.35 -0.30 -0.26 0.02 0.00 0.00 177.57 177.39 3ito h PHE 306 N 0.07 0.00 -0.90 1.57 0.04 -0.81 -2.38 116.94 114.53 3ito h PHE 306 Ca 0.04 0.00 0.01 0.00 2.80 0.00 0.00 57.97 60.82 3ito h PHE 306 Cb 0.58 0.00 -0.05 0.00 2.20 0.00 0.00 35.95 38.69 3ito h PHE 306 CO 0.07 0.30 0.60 -0.97 -0.60 0.00 0.00 178.31 177.70 3ito h ASN 307 N 0.00 1.02 0.02 2.17 -1.24 -0.27 0.33 115.58 117.62 3ito h ASN 307 Ca -0.00 -0.02 -0.10 0.00 0.71 0.00 0.00 56.30 56.89 3ito h ASN 307 Cb 0.62 -0.25 -0.01 0.00 0.73 0.00 0.00 38.32 39.41 3ito h ASN 307 CO 0.04 0.73 -0.30 -0.33 -1.29 0.00 0.00 177.43 176.29 3ito h GLU 308 N 1.21 0.41 -0.17 6.67 4.39 -1.22 -0.39 114.58 125.47 3ito h GLU 308 Ca 0.34 -0.17 -0.04 0.00 0.34 0.00 0.00 59.36 59.83 3ito h GLU 308 Cb -0.12 -0.02 -0.00 0.00 -0.10 0.00 0.00 28.75 28.51 3ito h GLU 308 CO -0.08 0.67 -0.06 -0.07 -1.16 0.00 0.00 179.01 178.31 3ito h LEU 309 N 0.36 0.36 -1.02 1.33 3.38 -1.03 -1.84 115.31 116.85 3ito h LEU 309 Ca 0.05 -0.39 -0.10 0.00 0.09 0.00 0.00 57.88 57.53 3ito h LEU 309 Cb 0.71 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 41.35 3ito h LEU 309 CO 0.05 0.67 -0.39 0.58 0.09 0.00 0.00 178.44 179.44 3ito h VAL 310 N 0.05 1.30 -0.14 1.22 2.07 -0.88 -2.64 116.25 117.22 3ito h VAL 310 Ca 0.04 -1.44 -0.10 0.00 0.82 0.00 0.00 66.70 66.01 3ito h VAL 310 Cb 0.52 1.66 -0.01 0.00 -1.52 0.00 0.00 31.29 31.94 3ito h VAL 310 CO 0.02 0.43 -0.37 -0.78 0.02 0.00 0.00 177.57 176.89 3ito h ASP 311 N 0.17 0.31 -0.88 0.57 3.58 -0.95 -1.77 116.42 117.44 3ito h ASP 311 Ca 0.02 -0.12 0.01 0.00 0.42 0.00 0.00 57.03 57.35 3ito h ASP 311 Cb 0.76 -0.09 -0.04 0.00 1.72 0.00 0.00 39.33 41.69 3ito h ASP 311 CO 0.06 0.66 0.58 0.00 -2.88 0.00 0.00 179.24 177.66 3ito h ALA 312 N 1.36 1.12 -0.32 -0.78 0.00 -0.96 0.32 119.26 120.00 3ito h ALA 312 Ca 0.03 -0.06 -0.05 0.00 0.00 0.00 0.00 54.91 54.82 3ito h ALA 312 Cb 0.77 -0.36 -0.01 0.00 0.00 0.00 0.00 17.79 18.19 3ito h ALA 312 CO 0.06 0.52 -0.01 1.49 0.00 0.00 0.00 179.25 181.31 3ito h GLU 313 N 1.20 0.57 -0.86 0.00 4.81 -1.39 -0.89 114.58 118.02 3ito h GLU 313 Ca 0.32 -0.19 -0.01 0.00 -0.13 0.00 0.00 59.36 59.36 3ito h GLU 313 Cb -0.14 -0.05 -0.04 0.00 0.63 0.00 0.00 28.75 29.15 3ito h GLU 313 CO -0.07 0.71 0.50 0.00 -0.73 0.00 0.00 179.01 179.42 3ito h ALA 314 N 0.84 1.26 0.00 2.92 0.00 -0.60 -1.11 119.26 122.57 3ito h ALA 314 Ca 0.09 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.89 3ito h ALA 314 Cb 0.46 -0.35 0.00 0.00 0.00 0.00 0.00 17.79 17.90 3ito h ALA 314 CO 0.02 0.62 0.00 0.54 0.00 0.00 0.00 179.25 180.43 3ito n ARG 315 N -4.35 0.12 -0.51 0.00 1.74 0.11 -4.89 116.66 108.87 3ito n ARG 315 Ca 0.09 0.30 0.00 0.00 -0.77 0.00 0.00 57.85 57.47 3ito n ARG 315 Cb 0.08 -1.71 0.00 0.00 -1.02 0.00 0.00 32.46 29.81 3ito n ARG 315 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3ito n GLY 316 N 0.30 0.78 3.74 -0.13 0.00 -0.42 -5.04 105.19 104.43 3ito n GLY 316 Ca 0.03 -0.49 -0.42 0.00 0.00 0.00 0.00 46.02 45.15 3ito n GLY 316 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3ito s VAL 317 N -2.00 2.48 0.17 1.61 1.01 -0.37 -4.99 120.40 118.31 3ito s VAL 317 Ca 0.00 0.39 0.05 0.00 0.00 0.00 0.00 61.98 62.42 3ito s VAL 317 Cb 0.00 -3.25 -0.04 0.00 0.00 0.00 0.00 36.38 33.09 3ito s VAL 317 CO 0.00 0.06 0.17 -0.54 0.00 0.00 0.00 175.10 174.79 3ito s LYS 318 N -0.14 3.01 -1.74 2.72 -0.14 -1.26 -4.55 119.74 117.65 3ito s LYS 318 Ca 0.62 -0.83 0.00 0.00 -1.36 0.00 0.00 55.97 54.40 3ito s LYS 318 Cb -0.44 -2.70 0.00 0.00 -1.68 0.00 0.00 37.83 33.01 3ito s LYS 318 CO 0.42 0.48 0.00 0.41 -0.76 0.00 0.00 175.35 175.91 3ito n GLY 319 N -0.49 0.24 3.34 -3.33 0.00 -1.26 -4.96 105.19 98.74 3ito n GLY 319 Ca -0.08 -0.09 -0.45 0.00 0.00 0.00 0.00 46.02 45.39 3ito n GLY 319 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 3ito s PHE 320 N -2.88 3.13 -0.47 1.61 5.36 -1.26 -4.95 117.98 118.52 3ito s PHE 320 Ca 0.00 -1.12 0.06 0.00 -0.96 0.00 0.00 56.93 54.92 3ito s PHE 320 Cb 0.00 -3.88 0.22 0.00 -0.34 0.00 0.00 43.02 39.02 3ito s PHE 320 CO 0.00 -1.14 0.51 0.72 -1.46 0.00 0.00 175.22 173.85 3ito n HIS 321 N 5.76 0.59 -1.76 10.12 8.25 -1.26 -5.08 115.22 131.84 3ito n HIS 321 Ca -0.12 -3.68 -0.39 0.00 -0.26 0.00 0.00 57.72 53.27 3ito n HIS 321 Cb 0.41 -0.25 0.03 0.00 1.12 0.00 0.00 29.99 31.31 3ito n HIS 321 CO 0.00 0.00 0.00 -2.14 0.64 0.00 0.00 176.34 174.84 3ito s PRO 322 N -1.12 3.34 0.01 -0.41 0.02 -1.26 -4.98 135.00 130.60 3ito s PRO 322 Ca 0.34 2.35 -0.23 0.00 0.02 0.00 0.00 61.00 63.48 3ito s PRO 322 Cb 0.11 -2.42 -0.05 0.00 0.02 0.00 0.00 34.50 32.16 3ito s PRO 322 CO -0.12 -1.07 0.69 0.00 -0.33 0.00 0.00 177.00 176.17 3ito s ALA 323 N -1.25 3.41 -0.13 -1.55 0.00 -0.46 -4.94 121.76 116.83 3ito s ALA 323 Ca 0.67 0.16 -0.01 0.00 0.00 0.00 0.00 51.96 52.79 3ito s ALA 323 Cb -0.43 -2.89 -0.02 0.00 0.00 0.00 0.00 23.12 19.78 3ito s ALA 323 CO 0.52 0.08 -0.11 -1.01 0.00 0.00 0.00 175.76 175.24 3ito s HIS 324 N 0.03 2.85 -0.08 0.00 3.76 -1.26 -0.53 115.29 120.05 3ito s HIS 324 Ca 0.35 -0.57 -0.08 0.00 -0.15 0.00 0.00 55.06 54.62 3ito s HIS 324 Cb -0.19 -1.86 0.02 0.00 1.11 0.00 0.00 32.58 31.66 3ito s HIS 324 CO 0.20 -0.17 0.22 -1.64 -0.85 0.00 0.00 174.74 172.50 3ito s MET 325 N 0.33 0.26 0.05 1.40 -1.94 -0.72 -0.74 119.30 117.94 3ito s MET 325 Ca -0.10 0.31 -0.22 0.00 -1.71 0.00 0.00 55.69 53.97 3ito s MET 325 Cb -0.16 0.12 -0.06 0.00 2.01 0.00 0.00 34.83 36.74 3ito s MET 325 CO 0.05 -0.04 0.67 0.42 -0.01 0.00 0.00 175.02 176.12 3ito s ILE 326 N 0.15 4.74 -0.33 2.53 1.01 0.35 0.12 121.20 129.77 3ito s ILE 326 Ca -0.00 1.44 -0.01 0.00 0.00 0.00 0.00 60.65 62.07 3ito s ILE 326 Cb -0.02 -4.02 0.12 0.00 0.01 0.00 0.00 42.46 38.55 3ito s ILE 326 CO 0.00 0.44 0.16 0.21 0.00 0.00 0.00 174.94 175.75 3ito s ASN 327 N -0.46 3.45 0.15 3.58 2.47 -0.18 -3.66 114.94 120.29 3ito s ASN 327 Ca 0.34 -1.79 -0.01 0.00 0.42 0.00 0.00 52.86 51.82 3ito s ASN 327 Cb -0.20 -0.53 -0.04 0.00 -1.45 0.00 0.00 41.25 39.03 3ito s ASN 327 CO 0.21 -0.37 0.07 -1.10 -3.72 0.00 0.00 177.10 172.18 3ito s GLN 328 N 1.49 1.00 -0.13 0.43 -0.21 -1.26 -4.47 119.66 116.51 3ito s GLN 328 Ca 0.13 -1.49 0.01 0.00 0.02 0.00 0.00 55.36 54.03 3ito s GLN 328 Cb -0.19 0.19 0.02 0.00 1.00 0.00 0.00 33.01 34.03 3ito s GLN 328 CO -0.18 -0.27 -0.16 0.45 -2.12 0.00 0.00 175.29 173.01 3ito s SER 329 N -3.09 2.62 -0.60 5.90 0.15 -0.04 -4.59 113.70 114.06 3ito s SER 329 Ca 0.27 -0.47 -0.10 0.00 0.70 0.00 0.00 55.95 56.35 3ito s SER 329 Cb 0.07 -1.17 0.15 0.00 -1.71 0.00 0.00 66.02 63.37 3ito s SER 329 CO 0.04 -0.00 0.49 -1.00 1.20 0.00 0.00 173.24 173.96 3ito s HIS 330 N 1.16 3.48 -0.09 3.44 0.09 -1.26 -4.61 115.29 117.51 3ito s HIS 330 Ca -0.02 -1.99 0.15 0.00 -0.00 0.00 0.00 55.06 53.20 3ito s HIS 330 Cb -0.14 -3.56 -0.16 0.00 -0.00 0.00 0.00 32.58 28.72 3ito s HIS 330 CO -0.05 -0.97 0.83 -0.91 -0.00 0.00 0.00 174.74 173.63 3ito h ASN 331 N 8.07 0.00 0.00 1.40 2.35 -1.94 -1.07 115.58 124.39 3ito h ASN 331 Ca -0.11 0.00 -0.07 0.00 -0.55 0.00 0.00 56.30 55.58 3ito h ASN 331 Cb 1.04 0.00 -0.15 0.00 0.05 0.00 0.00 38.32 39.27 3ito h ASN 331 CO 0.83 0.72 -0.63 1.33 -1.65 0.00 0.00 177.43 178.03 3ito n VAL 332 N -2.97 0.83 -4.11 2.81 0.24 -1.26 -4.76 118.33 109.11 3ito n VAL 332 Ca -0.11 -1.52 -0.11 0.00 -2.04 0.00 0.00 64.34 60.55 3ito n VAL 332 Cb 0.90 0.39 -0.07 0.00 -1.47 0.00 0.00 33.84 33.59 3ito n VAL 332 CO 0.00 0.00 0.00 0.42 -2.14 0.00 0.00 176.83 175.11 3ito s THR 333 N -1.24 0.00 -0.25 3.34 -4.23 -1.26 -5.10 115.64 106.90 3ito s THR 333 Ca 0.27 -1.73 -0.29 0.00 -1.18 0.00 0.00 61.69 58.76 3ito s THR 333 Cb 0.28 -2.40 -0.01 0.00 1.34 0.00 0.00 72.50 71.71 3ito s THR 333 CO -0.08 0.00 1.40 -0.62 -0.54 0.00 0.00 174.62 174.78 3ito s ASP 334 N -3.12 6.62 0.38 3.99 -1.08 -1.26 -4.88 116.67 117.32 3ito s ASP 334 Ca 0.32 1.42 0.19 0.00 -0.52 0.00 0.00 52.55 53.95 3ito s ASP 334 Cb 0.03 -2.54 1.14 0.00 -1.46 0.00 0.00 42.92 40.10 3ito s ASP 334 CO 0.12 -1.09 1.70 -0.65 0.52 0.00 0.00 175.17 175.78 3ito h PRO 335 N 9.59 0.32 -0.34 4.34 0.11 -1.86 -0.42 132.00 143.73 3ito h PRO 335 Ca -0.29 -0.02 -0.06 0.00 0.11 0.00 0.00 66.00 65.74 3ito h PRO 335 Cb 1.12 -0.07 -0.01 0.00 0.11 0.00 0.00 31.00 32.14 3ito h PRO 335 CO 1.01 0.21 -0.03 0.82 -0.21 0.00 0.00 178.00 179.81 3ito h ILE 336 N 0.33 1.27 -0.60 4.15 2.04 -1.87 -1.88 117.51 120.96 3ito h ILE 336 Ca 0.69 -1.03 -0.09 0.00 1.00 0.00 0.00 64.86 65.43 3ito h ILE 336 Cb 1.75 1.25 -0.02 0.00 -0.74 0.00 0.00 36.82 39.06 3ito h ILE 336 CO -0.43 0.34 0.03 -0.33 0.00 0.00 0.00 178.15 177.75 3ito h GLU 337 N 0.43 1.04 -0.50 2.37 5.08 -1.49 -1.04 114.58 120.46 3ito h GLU 337 Ca 0.09 -0.32 -0.04 0.00 -1.00 0.00 0.00 59.36 58.10 3ito h GLU 337 Cb 0.50 -0.10 -0.02 0.00 0.50 0.00 0.00 28.75 29.63 3ito h GLU 337 CO 0.02 1.01 0.17 0.77 -1.00 0.00 0.00 179.01 179.98 3ito h SER 338 N 0.93 0.71 -0.54 1.42 0.02 -1.34 -1.31 113.55 113.45 3ito h SER 338 Ca 0.17 -0.20 -0.08 0.00 -0.84 0.00 0.00 61.79 60.85 3ito h SER 338 Cb 0.52 -0.19 -0.02 0.00 0.14 0.00 0.00 62.40 62.85 3ito h SER 338 CO 0.03 0.72 0.06 -0.07 -1.14 0.00 0.00 176.83 176.42 3ito h LEU 339 N 0.67 0.91 0.53 5.07 3.38 -1.21 0.11 115.31 124.76 3ito h LEU 339 Ca 0.16 -0.22 -0.03 0.00 0.09 0.00 0.00 57.88 57.89 3ito h LEU 339 Cb 0.25 -0.24 0.00 0.00 0.09 0.00 0.00 40.66 40.76 3ito h LEU 339 CO -0.01 0.94 -0.26 0.40 0.09 0.00 0.00 178.44 179.60 3ito h ILE 340 N 0.89 0.47 0.00 1.22 2.04 -0.90 -0.07 117.51 121.16 3ito h ILE 340 Ca 0.18 0.00 -0.05 0.00 1.00 0.00 0.00 64.86 65.99 3ito h ILE 340 Cb 0.44 0.47 -0.01 0.00 -0.74 0.00 0.00 36.82 36.99 3ito h ILE 340 CO 0.02 0.00 -0.23 0.78 0.00 0.00 0.00 178.15 178.72 3ito h ASN 341 N -0.71 0.00 -0.11 1.72 2.35 -1.12 -1.76 115.58 115.95 3ito h ASN 341 Ca -0.07 0.00 -0.16 0.00 -0.55 0.00 0.00 56.30 55.52 3ito h ASN 341 Cb 0.55 0.00 0.01 0.00 0.05 0.00 0.00 38.32 38.93 3ito h ASN 341 CO 0.11 0.23 -0.55 0.28 -1.65 0.00 0.00 177.43 175.85 3ito h SER 342 N 0.00 0.67 -0.76 5.81 0.02 -0.55 -0.95 113.55 117.79 3ito h SER 342 Ca -0.00 -0.64 -0.01 0.00 -0.84 0.00 0.00 61.79 60.30 3ito h SER 342 Cb 0.53 -0.20 -0.04 0.00 0.14 0.00 0.00 62.40 62.84 3ito h SER 342 CO 0.03 1.20 0.46 0.00 -1.14 0.00 0.00 176.83 177.38 3ito h ALA 343 N 0.48 1.36 -0.45 3.77 0.00 -0.77 -1.71 119.26 121.94 3ito h ALA 343 Ca -0.04 -0.09 -0.03 0.00 0.00 0.00 0.00 54.91 54.75 3ito h ALA 343 Cb 1.19 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 18.65 3ito h ALA 343 CO 0.11 0.55 0.15 -0.91 0.00 0.00 0.00 179.25 179.15 3ito h ASN 344 N 1.06 0.65 -0.38 0.00 -0.26 -1.17 -2.48 115.58 113.01 3ito h ASN 344 Ca 0.28 -0.20 -0.04 0.00 -0.56 0.00 0.00 56.30 55.78 3ito h ASN 344 Cb -0.04 -0.17 -0.02 0.00 -1.06 0.00 0.00 38.32 37.03 3ito h ASN 344 CO -0.05 0.68 0.11 -0.33 -1.06 0.00 0.00 177.43 176.77 3ito h GLU 345 N 0.59 0.67 -0.49 0.81 4.39 -0.58 0.09 114.58 120.06 3ito h GLU 345 Ca 0.15 -0.12 -0.13 0.00 0.34 0.00 0.00 59.36 59.60 3ito h GLU 345 Cb 0.25 -0.11 -0.01 0.00 -0.10 0.00 0.00 28.75 28.78 3ito h GLU 345 CO -0.01 0.61 -0.18 0.82 -1.16 0.00 0.00 179.01 179.09 3ito h ILE 346 N 0.65 1.27 -0.06 3.13 2.04 -1.15 -1.27 117.51 122.12 3ito h ILE 346 Ca 0.15 -1.34 -0.11 0.00 1.00 0.00 0.00 64.86 64.55 3ito h ILE 346 Cb 0.24 1.10 -0.01 0.00 -0.74 0.00 0.00 36.82 37.41 3ito h ILE 346 CO -0.00 0.47 -0.47 0.03 0.00 0.00 0.00 178.15 178.17 3ito h ARG 347 N 0.84 0.15 -0.15 2.37 3.08 -1.01 -1.65 114.38 118.01 3ito h ARG 347 Ca 0.12 -0.08 -0.01 0.00 0.07 0.00 0.00 59.98 60.08 3ito h ARG 347 Cb 0.76 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.80 3ito h ARG 347 CO 0.06 0.59 0.07 -0.09 -1.07 0.00 0.00 179.97 179.53 3ito h ARG 348 N 0.12 0.22 -0.63 0.04 2.43 -0.58 0.13 114.38 116.11 3ito h ARG 348 Ca 0.01 -0.04 -0.04 0.00 -0.81 0.00 0.00 59.98 59.09 3ito h ARG 348 Cb 0.88 -0.04 -0.03 0.00 -0.42 0.00 0.00 29.97 30.36 3ito h ARG 348 CO 0.07 0.30 0.22 0.00 -1.51 0.00 0.00 179.97 179.05 3ito h ALA 349 N 0.92 0.83 0.11 2.80 0.00 -1.10 -1.60 119.26 121.22 3ito h ALA 349 Ca 0.05 -0.19 -0.00 0.00 0.00 0.00 0.00 54.91 54.77 3ito h ALA 349 Cb 0.15 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.69 3ito h ALA 349 CO -0.01 0.48 -0.08 -0.92 0.00 0.00 0.00 179.25 178.72 3ito h TYR 350 N 0.90 -0.22 -0.43 0.00 3.20 -1.07 -1.14 116.97 118.22 3ito h TYR 350 Ca 0.21 -0.00 0.06 0.00 3.14 0.00 0.00 58.73 62.14 3ito h TYR 350 Cb 0.26 0.08 -0.05 0.00 1.54 0.00 0.00 36.73 38.55 3ito h TYR 350 CO 0.02 -0.13 0.12 0.00 -1.64 0.00 0.00 178.16 176.52 3ito h ALA 351 N 0.68 0.49 -0.70 1.82 0.00 -0.53 -1.35 119.26 119.68 3ito h ALA 351 Ca -0.00 0.07 -0.03 0.00 0.00 0.00 0.00 54.91 54.94 3ito h ALA 351 Cb 0.18 0.07 -0.03 0.00 0.00 0.00 0.00 17.79 18.01 3ito h ALA 351 CO -0.00 -0.28 0.30 1.96 0.00 0.00 0.00 179.25 181.22 3ito h GLN 352 N 0.26 1.01 -0.16 0.00 4.20 -1.13 -1.45 115.11 117.85 3ito h GLN 352 Ca 0.21 -0.16 -0.04 0.00 0.06 0.00 0.00 58.65 58.72 3ito h GLN 352 Cb 0.23 -0.18 -0.01 0.00 0.30 0.00 0.00 27.48 27.82 3ito h GLN 352 CO -0.24 0.81 -0.08 0.00 -0.67 0.00 0.00 178.83 178.65 3ito h ALA 353 N 1.33 1.58 0.00 3.87 0.00 -0.39 -0.89 119.26 124.76 3ito h ALA 353 Ca 0.24 -0.17 -0.01 0.00 0.00 0.00 0.00 54.91 54.97 3ito h ALA 353 Cb 0.16 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 17.86 3ito h ALA 353 CO -0.02 0.31 -0.05 -0.07 0.00 0.00 0.00 179.25 179.41 3ito h LEU 354 N 0.23 0.00 0.00 0.00 3.38 -0.20 -2.95 115.31 115.78 3ito h LEU 354 Ca 0.05 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.02 3ito h LEU 354 Cb 0.29 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.04 3ito h LEU 354 CO 0.01 0.05 -0.23 -0.07 0.09 0.00 0.00 178.44 178.29 3ito h LEU 355 N 0.00 0.00 -9.45 1.67 3.38 -0.87 -3.47 115.31 106.57 3ito h LEU 355 Ca -0.00 -0.03 -0.59 0.00 0.09 0.00 0.00 57.88 57.35 3ito h LEU 355 Cb 0.50 0.00 0.05 0.00 0.09 0.00 0.00 40.66 41.30 3ito h LEU 355 CO 0.01 0.02 0.87 0.52 0.09 0.00 0.00 178.44 179.95 3ito n VAL 356 N -2.62 0.14 -2.42 1.22 0.31 -1.12 -4.82 118.33 109.02 3ito n VAL 356 Ca 0.04 -0.03 -0.39 0.00 -0.01 0.00 0.00 64.34 63.95 3ito n VAL 356 Cb 0.49 -1.63 -0.03 0.00 -0.91 0.00 0.00 33.84 31.76 3ito n VAL 356 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 3ito s ASP 357 N 1.67 6.02 0.24 4.52 -1.08 -1.26 -4.85 116.67 121.93 3ito s ASP 357 Ca 0.82 -0.68 -0.07 0.00 -0.52 0.00 0.00 52.55 52.10 3ito s ASP 357 Cb -0.68 -2.56 0.24 0.00 -1.46 0.00 0.00 42.92 38.46 3ito s ASP 357 CO 0.41 -1.92 1.92 0.03 0.52 0.00 0.00 175.17 176.12 3ito h ARG 358 N 10.84 1.26 -0.32 4.34 2.47 -1.96 -1.30 114.38 129.72 3ito h ARG 358 Ca -0.08 -0.08 -0.01 0.00 -1.26 0.00 0.00 59.98 58.55 3ito h ARG 358 Cb 1.05 -0.28 -0.01 0.00 -1.65 0.00 0.00 29.97 29.07 3ito h ARG 358 CO 1.31 0.84 0.15 0.00 0.56 0.00 0.00 179.97 182.84 3ito h ALA 359 N 1.35 0.41 -0.32 0.04 0.00 -2.00 -0.40 119.26 118.33 3ito h ALA 359 Ca 0.35 -0.10 -0.02 0.00 0.00 0.00 0.00 54.91 55.14 3ito h ALA 359 Cb -0.14 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.51 3ito h ALA 359 CO -0.07 -0.03 0.12 0.00 0.00 0.00 0.00 179.25 179.26 3ito h ALA 360 N 1.01 0.42 -0.10 0.00 0.00 -1.92 -2.33 119.26 116.34 3ito h ALA 360 Ca 0.11 -0.14 0.03 0.00 0.00 0.00 0.00 54.91 54.91 3ito h ALA 360 Cb 0.12 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 17.75 3ito h ALA 360 CO -0.01 0.04 -0.09 1.25 0.00 0.00 0.00 179.25 180.44 3ito h LEU 361 N 0.37 -0.27 -0.89 0.00 5.85 -1.06 -1.28 115.31 118.03 3ito h LEU 361 Ca 0.11 0.06 0.13 0.00 0.84 0.00 0.00 57.88 59.01 3ito h LEU 361 Cb 0.21 0.14 -0.09 0.00 0.37 0.00 0.00 40.66 41.29 3ito h LEU 361 CO -0.01 -0.12 0.51 -1.28 -0.34 0.00 0.00 178.44 177.20 3ito h SER 362 N -0.10 0.69 -0.56 1.25 0.87 -0.97 -0.12 113.55 114.61 3ito h SER 362 Ca 0.07 0.07 -0.05 0.00 -1.23 0.00 0.00 61.79 60.65 3ito h SER 362 Cb 0.20 -0.06 -0.02 0.00 -0.44 0.00 0.00 62.40 62.08 3ito h SER 362 CO -0.16 0.34 0.16 1.23 -0.53 0.00 0.00 176.83 177.87 3ito h GLY 363 N 0.78 0.95 2.00 5.77 0.00 -0.79 -1.08 103.07 110.69 3ito h GLY 363 Ca 0.46 -0.57 -0.09 0.00 0.00 0.00 0.00 47.33 47.12 3ito h GLY 363 CO -0.30 0.53 -0.45 -0.97 0.00 0.00 0.00 176.54 175.36 3ito h TYR 364 N 0.79 0.00 -0.13 5.60 0.05 -0.19 -1.64 116.97 121.44 3ito h TYR 364 Ca 0.18 0.00 -0.13 0.00 0.05 0.00 0.00 58.73 58.82 3ito h TYR 364 Cb 0.31 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.05 3ito h TYR 364 CO 0.02 0.45 -0.44 1.96 -1.05 0.00 0.00 178.16 179.10 3ito h GLN 365 N 0.00 0.53 0.00 4.88 4.20 -0.78 0.14 115.11 124.07 3ito h GLN 365 Ca -0.00 -0.39 -0.05 0.00 0.06 0.00 0.00 58.65 58.26 3ito h GLN 365 Cb 0.81 0.07 -0.01 0.00 0.30 0.00 0.00 27.48 28.65 3ito h GLN 365 CO 0.06 1.02 -0.26 0.93 -0.67 0.00 0.00 178.83 179.91 3ito h GLU 366 N 0.14 0.00 -0.02 1.46 4.39 -1.03 -2.43 114.58 117.09 3ito h GLU 366 Ca -0.02 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.68 3ito h GLU 366 Cb 1.07 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.72 3ito h GLU 366 CO 0.09 0.26 -0.11 -0.25 -1.16 0.00 0.00 179.01 177.84 3ito n ASP 367 N -3.83 1.97 -3.11 1.42 8.00 -0.63 -4.95 116.55 115.42 3ito n ASP 367 Ca -0.02 -1.56 -0.22 0.00 0.71 0.00 0.00 54.79 53.71 3ito n ASP 367 Cb 0.35 0.09 0.05 0.00 -0.02 0.00 0.00 41.12 41.59 3ito n ASP 367 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 3ito n ASN 368 N 0.38 -6.07 -4.18 -2.24 4.13 -0.63 -4.91 115.26 101.74 3ito n ASN 368 Ca 0.15 -0.37 -0.44 0.00 1.68 0.00 0.00 54.58 55.61 3ito n ASN 368 Cb 0.45 -4.82 0.00 0.00 -1.54 0.00 0.00 39.78 33.87 3ito n ASN 368 CO 0.00 0.00 0.00 -0.67 0.28 0.00 0.00 177.26 176.87 3ito n ASP 369 N -2.53 5.47 -0.26 6.41 -0.08 0.38 -4.86 116.55 121.09 3ito n ASP 369 Ca -0.07 -3.11 0.06 0.00 -1.51 0.00 0.00 54.79 50.16 3ito n ASP 369 Cb 0.59 -1.45 0.19 0.00 2.34 0.00 0.00 41.12 42.80 3ito n ASP 369 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 3ito h ALA 370 N 6.32 1.05 0.16 -1.67 0.00 -1.91 -0.94 119.26 122.27 3ito h ALA 370 Ca 0.29 0.13 -0.01 0.00 0.00 0.00 0.00 54.91 55.32 3ito h ALA 370 Cb 0.75 0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.67 3ito h ALA 370 CO 1.32 -0.25 -0.08 1.25 0.00 0.00 0.00 179.25 181.50 3ito h LEU 371 N 0.40 -0.18 -1.15 0.00 5.85 -1.96 -1.60 115.31 116.66 3ito h LEU 371 Ca 0.42 -0.03 -0.08 0.00 0.84 0.00 0.00 57.88 59.03 3ito h LEU 371 Cb 0.67 0.05 -0.01 0.00 0.37 0.00 0.00 40.66 41.74 3ito h LEU 371 CO -0.44 -0.09 -0.38 0.24 -0.34 0.00 0.00 178.44 177.43 3ito h MET 372 N -0.26 0.00 -0.16 1.25 2.86 -1.90 -0.70 114.93 116.02 3ito h MET 372 Ca -0.02 0.00 -0.03 0.00 -2.06 0.00 0.00 59.70 57.59 3ito h MET 372 Cb 0.20 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 31.86 3ito h MET 372 CO 0.04 0.38 -0.01 0.00 1.06 0.00 0.00 176.91 178.38 3ito h ALA 373 N 1.62 0.21 -0.30 6.32 0.00 -0.96 0.97 119.26 127.11 3ito h ALA 373 Ca -0.00 -0.20 -0.13 0.00 0.00 0.00 0.00 54.91 54.57 3ito h ALA 373 Cb 0.77 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.49 3ito h ALA 373 CO 0.05 -0.07 -0.35 0.00 0.00 0.00 0.00 179.25 178.88 3ito h THR 374 N 0.02 1.29 -0.01 0.00 1.03 -1.15 -2.39 112.91 111.69 3ito h THR 374 Ca 0.04 -1.49 -0.06 0.00 -0.01 0.00 0.00 66.41 64.89 3ito h THR 374 Cb 0.40 1.42 -0.01 0.00 -1.07 0.00 0.00 68.15 68.89 3ito h THR 374 CO 0.01 0.48 -0.28 -0.08 -0.01 0.00 0.00 175.52 175.65 3ito h GLU 375 N 0.57 0.02 -0.48 0.00 4.57 -0.99 -0.71 114.58 117.56 3ito h GLU 375 Ca 0.06 -0.00 -0.10 0.00 -1.18 0.00 0.00 59.36 58.14 3ito h GLU 375 Cb 0.86 -0.00 -0.02 0.00 -0.16 0.00 0.00 28.75 29.43 3ito h GLU 375 CO 0.07 0.29 -0.10 1.15 -1.18 0.00 0.00 179.01 179.25 3ito h THR 376 N 0.02 1.26 -0.32 0.32 2.02 -0.30 -0.05 112.91 115.86 3ito h THR 376 Ca 0.00 -1.19 -0.13 0.00 0.77 0.00 0.00 66.41 65.86 3ito h THR 376 Cb 0.50 0.99 -0.01 0.00 -1.74 0.00 0.00 68.15 67.90 3ito h THR 376 CO 0.04 0.41 -0.30 -0.07 0.37 0.00 0.00 175.52 175.97 3ito h LEU 377 N 0.78 0.83 -1.03 2.58 3.38 -1.09 -3.19 115.31 117.57 3ito h LEU 377 Ca 0.13 -0.46 -0.01 0.00 0.09 0.00 0.00 57.88 57.63 3ito h LEU 377 Cb 0.61 -0.23 -0.04 0.00 0.09 0.00 0.00 40.66 41.08 3ito h LEU 377 CO 0.04 1.12 0.51 0.11 0.09 0.00 0.00 178.44 180.31 3ito h LYS 378 N 0.55 1.18 -0.40 1.13 1.79 -0.79 -0.50 116.57 119.53 3ito h LYS 378 Ca 0.05 -0.11 0.08 0.00 -2.18 0.00 0.00 60.65 58.49 3ito h LYS 378 Cb 0.88 -0.25 -0.02 0.00 -1.58 0.00 0.00 32.23 31.26 3ito h LYS 378 CO 0.08 0.84 0.27 0.00 -1.08 0.00 0.00 179.45 179.56 3ito h ARG 379 N 1.20 0.20 0.02 3.15 3.08 -1.00 0.69 114.38 121.72 3ito h ARG 379 Ca 0.31 -0.01 -0.04 0.00 0.07 0.00 0.00 59.98 60.31 3ito h ARG 379 Cb -0.03 -0.04 0.00 0.00 0.08 0.00 0.00 29.97 29.97 3ito h ARG 379 CO -0.06 0.13 -0.21 0.00 -1.07 0.00 0.00 179.97 178.77 3ito h ALA 380 N 1.79 0.01 -0.67 0.04 0.00 -1.40 -3.30 119.26 115.74 3ito h ALA 380 Ca 0.18 -0.58 -0.03 0.00 0.00 0.00 0.00 54.91 54.48 3ito h ALA 380 Cb 0.46 0.07 -0.03 0.00 0.00 0.00 0.00 17.79 18.28 3ito h ALA 380 CO -0.03 0.11 0.29 -0.92 0.00 0.00 0.00 179.25 178.69 3ito h TYR 381 N -0.91 0.98 0.00 0.00 3.20 -0.49 -2.47 116.97 117.28 3ito h TYR 381 Ca -0.05 -0.05 0.00 0.00 3.14 0.00 0.00 58.73 61.77 3ito h TYR 381 Cb 1.11 -0.30 0.00 0.00 1.54 0.00 0.00 36.73 39.08 3ito h TYR 381 CO 0.26 0.74 0.00 0.00 -1.64 0.00 0.00 178.16 177.52 3ito h ARG 382 N 0.96 0.00 -6.41 1.82 3.08 0.23 -3.44 114.38 110.62 3ito h ARG 382 Ca 0.23 0.00 -0.54 0.00 0.07 0.00 0.00 59.98 59.74 3ito h ARG 382 Cb 0.16 0.00 0.01 0.00 0.08 0.00 0.00 29.97 30.22 3ito h ARG 382 CO -0.02 0.00 0.89 0.99 -1.07 0.00 0.00 179.97 180.75 3ito s THR 383 N -3.62 3.44 -0.71 2.04 2.01 -0.93 -4.95 115.64 112.93 3ito s THR 383 Ca 0.01 0.87 -0.26 0.00 0.31 0.00 0.00 61.69 62.62 3ito s THR 383 Cb 0.09 -3.56 0.04 0.00 0.01 0.00 0.00 72.50 69.08 3ito s THR 383 CO 0.47 0.00 1.20 -0.62 -0.69 0.00 0.00 174.62 174.98 3ito s ASP 384 N 2.02 6.19 0.00 3.53 2.15 -1.26 -4.86 116.67 124.44 3ito s ASP 384 Ca 0.67 -0.51 0.12 0.00 0.43 0.00 0.00 52.55 53.26 3ito s ASP 384 Cb -0.35 -2.53 0.35 0.00 -0.30 0.00 0.00 42.92 40.10 3ito s ASP 384 CO 0.29 -1.72 1.29 1.33 -0.17 0.00 0.00 175.17 176.18 3ito n VAL 385 N 6.31 0.44 -0.33 1.11 0.24 -1.26 -4.42 118.33 120.41 3ito n VAL 385 Ca 0.02 -0.45 0.10 0.00 -2.04 0.00 0.00 64.34 61.96 3ito n VAL 385 Cb 0.48 0.24 0.27 0.00 -1.47 0.00 0.00 33.84 33.37 3ito n VAL 385 CO 0.00 0.00 0.00 -0.08 -2.14 0.00 0.00 176.83 174.61 3ito h GLU 386 N 2.05 0.73 -0.92 7.34 4.57 -1.98 0.15 114.58 126.52 3ito h GLU 386 Ca 0.00 -0.04 0.04 0.00 -1.18 0.00 0.00 59.36 58.17 3ito h GLU 386 Cb 0.47 -0.16 -0.05 0.00 -0.16 0.00 0.00 28.75 28.84 3ito h GLU 386 CO 0.00 0.48 0.61 -1.35 -1.18 0.00 0.00 179.01 177.57 3ito h PRO 387 N 0.75 1.12 -0.30 0.92 0.11 -1.92 0.46 132.00 133.14 3ito h PRO 387 Ca 0.52 -0.07 -0.03 0.00 0.11 0.00 0.00 66.00 66.53 3ito h PRO 387 Cb 0.74 -0.25 -0.01 0.00 0.11 0.00 0.00 31.00 31.58 3ito h PRO 387 CO -0.36 0.74 0.06 0.82 -0.21 0.00 0.00 178.00 179.06 3ito h ILE 388 N 1.15 1.22 -0.52 4.15 2.04 -1.33 -0.19 117.51 124.05 3ito h ILE 388 Ca 0.37 -0.75 0.00 0.00 1.00 0.00 0.00 64.86 65.48 3ito h ILE 388 Cb 0.03 1.14 -0.03 0.00 -0.74 0.00 0.00 36.82 37.22 3ito h ILE 388 CO -0.11 0.25 0.33 -0.07 0.00 0.00 0.00 178.15 178.55 3ito h LEU 389 N 0.33 0.60 -0.32 1.44 4.07 -0.68 -0.61 115.31 120.13 3ito h LEU 389 Ca 0.09 -0.03 -0.04 0.00 0.08 0.00 0.00 57.88 57.98 3ito h LEU 389 Cb 0.31 -0.15 -0.01 0.00 1.08 0.00 0.00 40.66 41.89 3ito h LEU 389 CO 0.00 0.45 0.03 0.00 -1.08 0.00 0.00 178.44 177.84 3ito h ALA 390 N 1.18 0.43 -0.65 1.53 0.00 -0.80 -1.91 119.26 119.05 3ito h ALA 390 Ca 0.19 -0.22 -0.05 0.00 0.00 0.00 0.00 54.91 54.83 3ito h ALA 390 Cb -0.06 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 17.58 3ito h ALA 390 CO -0.04 0.16 0.21 1.49 0.00 0.00 0.00 179.25 181.07 3ito h GLU 391 N 0.37 1.00 -0.31 0.00 4.57 -0.91 0.56 114.58 119.85 3ito h GLU 391 Ca 0.10 -0.21 0.04 0.00 -1.18 0.00 0.00 59.36 58.10 3ito h GLU 391 Cb 0.39 -0.15 -0.04 0.00 -0.16 0.00 0.00 28.75 28.80 3ito h GLU 391 CO 0.01 0.87 0.10 0.00 -1.18 0.00 0.00 179.01 178.80 3ito h ALA 392 N 1.08 0.35 0.03 2.92 0.00 -1.00 0.15 119.26 122.79 3ito h ALA 392 Ca 0.21 0.04 -0.00 0.00 0.00 0.00 0.00 54.91 55.16 3ito h ALA 392 Cb 0.28 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.10 3ito h ALA 392 CO -0.01 -0.31 -0.02 0.00 0.00 0.00 0.00 179.25 178.92 3ito h ARG 393 N 0.22 -0.04 -0.41 0.00 3.08 -0.94 -2.35 114.38 113.94 3ito h ARG 393 Ca 0.14 0.00 0.07 0.00 0.07 0.00 0.00 59.98 60.26 3ito h ARG 393 Cb 0.12 0.01 -0.06 0.00 0.08 0.00 0.00 29.97 30.12 3ito h ARG 393 CO -0.15 -0.02 0.06 -0.09 -1.07 0.00 0.00 179.97 178.69 3ito h ARG 394 N -0.05 0.18 0.00 0.04 2.43 -0.36 0.37 114.38 116.99 3ito h ARG 394 Ca -0.00 -0.01 -0.00 0.00 -0.81 0.00 0.00 59.98 59.15 3ito h ARG 394 Cb 0.04 -0.04 -0.00 0.00 -0.42 0.00 0.00 29.97 29.55 3ito h ARG 394 CO 0.01 0.12 -0.01 0.00 -1.51 0.00 0.00 179.97 178.58 3ito h ARG 395 N 0.18 0.00 -0.34 0.20 3.08 -0.57 -3.08 114.38 113.85 3ito h ARG 395 Ca 0.20 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.25 3ito h ARG 395 Cb 0.26 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.31 3ito h ARG 395 CO -0.28 0.01 0.00 0.25 -1.07 0.00 0.00 179.97 178.87 3ito n THR 396 N -3.11 1.70 -0.29 2.04 -2.24 -0.70 -4.95 114.28 106.73 3ito n THR 396 Ca -0.01 -1.43 0.00 0.00 -2.27 0.00 0.00 64.05 60.34 3ito n THR 396 Cb 0.21 0.10 0.00 0.00 -2.10 0.00 0.00 70.33 68.55 3ito n THR 396 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3ito n GLY 397 N 0.10 0.75 0.00 3.38 0.00 -1.01 -4.99 105.19 103.42 3ito n GLY 397 Ca 0.18 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.20 3ito n GLY 397 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3ito n GLY 398 N -2.15 1.15 3.73 -0.02 0.00 0.12 -4.80 105.19 103.22 3ito n GLY 398 Ca 0.00 -2.00 -0.35 0.00 0.00 0.00 0.00 46.02 43.67 3ito n GLY 398 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ito s ALA 399 N -2.52 3.42 0.17 4.61 0.00 -0.20 -4.17 121.76 123.08 3ito s ALA 399 Ca 0.00 -0.79 -0.14 0.00 0.00 0.00 0.00 51.96 51.03 3ito s ALA 399 Cb 0.00 -1.57 0.12 0.00 0.00 0.00 0.00 23.12 21.67 3ito s ALA 399 CO 0.00 0.61 1.78 0.28 0.00 0.00 0.00 175.76 178.42 3ito h VAL 400 N 4.00 0.94 -3.17 0.00 2.07 -1.87 -3.30 116.25 114.92 3ito h VAL 400 Ca -0.51 -0.15 -0.62 0.00 0.82 0.00 0.00 66.70 66.23 3ito h VAL 400 Cb 1.20 0.45 -0.40 0.00 -1.52 0.00 0.00 31.29 31.02 3ito h VAL 400 CO 0.56 0.08 -0.69 -0.62 0.02 0.00 0.00 177.57 176.92 3ito s ASP 401 N -5.46 3.95 0.15 0.57 -1.08 -1.26 -4.69 116.67 108.85 3ito s ASP 401 Ca -0.13 -2.76 -0.27 0.00 -0.52 0.00 0.00 52.55 48.87 3ito s ASP 401 Cb 0.13 -1.29 -0.01 0.00 -1.46 0.00 0.00 42.92 40.30 3ito s ASP 401 CO 0.73 -0.26 1.58 -0.65 0.52 0.00 0.00 175.17 177.09 3ito h PRO 402 N 6.68 -0.33 -0.59 4.34 0.11 -1.86 -0.64 132.00 139.71 3ito h PRO 402 Ca -0.04 0.02 -0.05 0.00 0.11 0.00 0.00 66.00 66.04 3ito h PRO 402 Cb 0.92 0.08 -0.03 0.00 0.11 0.00 0.00 31.00 32.07 3ito h PRO 402 CO 0.57 -0.22 0.19 0.28 -0.21 0.00 0.00 178.00 178.60 3ito h VAL 403 N -0.35 1.23 -0.51 3.15 2.07 -1.95 0.18 116.25 120.08 3ito h VAL 403 Ca 0.13 -0.78 -0.05 0.00 0.82 0.00 0.00 66.70 66.82 3ito h VAL 403 Cb 0.59 0.57 -0.02 0.00 -1.52 0.00 0.00 31.29 30.91 3ito h VAL 403 CO -0.55 0.30 0.11 0.00 0.02 0.00 0.00 177.57 177.45 3ito h ALA 404 N 1.33 0.67 -0.48 1.67 0.00 -1.88 -0.47 119.26 120.10 3ito h ALA 404 Ca 0.20 -0.22 -0.12 0.00 0.00 0.00 0.00 54.91 54.76 3ito h ALA 404 Cb 0.25 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.83 3ito h ALA 404 CO -0.01 0.38 -0.19 1.15 0.00 0.00 0.00 179.25 180.58 3ito h THR 405 N 0.71 1.27 -0.62 0.00 2.02 -0.80 -1.54 112.91 113.95 3ito h THR 405 Ca 0.16 -1.34 0.01 0.00 0.77 0.00 0.00 66.41 66.01 3ito h THR 405 Cb 0.35 1.09 -0.03 0.00 -1.74 0.00 0.00 68.15 67.82 3ito h THR 405 CO 0.00 0.46 0.40 0.22 0.37 0.00 0.00 175.52 176.98 3ito h TYR 406 N 0.84 0.76 -0.07 3.16 3.20 -0.34 -1.67 116.97 122.85 3ito h TYR 406 Ca 0.12 0.02 -0.15 0.00 3.14 0.00 0.00 58.73 61.86 3ito h TYR 406 Cb 0.75 -0.26 -0.01 0.00 1.54 0.00 0.00 36.73 38.75 3ito h TYR 406 CO 0.05 0.47 -0.62 0.00 -1.64 0.00 0.00 178.16 176.42 3ito h ARG 407 N 0.82 0.24 0.00 1.82 3.08 -0.98 -3.03 114.38 116.33 3ito h ARG 407 Ca 0.23 -0.17 -0.08 0.00 0.07 0.00 0.00 59.98 60.03 3ito h ARG 407 Cb -0.07 0.03 -0.01 0.00 0.08 0.00 0.00 29.97 29.99 3ito h ARG 407 CO -0.06 0.78 -0.38 0.00 -1.07 0.00 0.00 179.97 179.25 3ito h ALA 408 N 1.18 1.20 0.00 0.04 0.00 -0.93 -2.91 119.26 117.84 3ito h ALA 408 Ca -0.01 -0.34 -0.04 0.00 0.00 0.00 0.00 54.91 54.52 3ito h ALA 408 Cb 1.13 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.85 3ito h ALA 408 CO 0.10 0.47 -0.21 0.66 0.00 0.00 0.00 179.25 180.27 3ito h SER 409 N 0.00 0.00 -0.71 0.00 4.64 -1.19 -3.47 113.55 112.82 3ito h SER 409 Ca -0.00 0.00 -0.21 0.00 -0.47 0.00 0.00 61.79 61.11 3ito h SER 409 Cb 0.75 0.00 -0.07 0.00 -0.31 0.00 0.00 62.40 62.77 3ito h SER 409 CO 0.05 0.21 -0.21 0.61 -0.87 0.00 0.00 176.83 176.62 3ito n GLY 410 N 0.63 0.89 0.26 -0.77 0.00 -1.10 -4.92 105.19 100.18 3ito n GLY 410 Ca 0.02 -0.54 0.02 0.00 0.00 0.00 0.00 46.02 45.52 3ito n GLY 410 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 3ito h TYR 411 N 0.00 0.52 -0.56 1.61 3.20 -1.86 -1.85 116.97 118.03 3ito h TYR 411 Ca -0.22 0.03 0.00 0.00 3.14 0.00 0.00 58.73 61.69 3ito h TYR 411 Cb 0.78 -0.13 -0.03 0.00 1.54 0.00 0.00 36.73 38.90 3ito h TYR 411 CO 0.28 0.14 0.37 -0.09 -1.64 0.00 0.00 178.16 177.22 3ito h ARG 412 N 0.49 0.74 -0.48 1.82 9.65 -1.91 -1.58 114.38 123.10 3ito h ARG 412 Ca 0.35 -0.05 -0.07 0.00 -1.10 0.00 0.00 59.98 59.12 3ito h ARG 412 Cb 0.45 -0.17 -0.02 0.00 -1.39 0.00 0.00 29.97 28.84 3ito h ARG 412 CO -0.32 0.49 0.02 0.00 2.80 0.00 0.00 179.97 182.96 3ito h ALA 413 N 1.20 1.13 0.49 2.80 0.00 -1.87 -0.81 119.26 122.21 3ito h ALA 413 Ca 0.20 -0.25 -0.02 0.00 0.00 0.00 0.00 54.91 54.84 3ito h ALA 413 Cb -0.08 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 17.51 3ito h ALA 413 CO -0.04 0.56 -0.25 -0.09 0.00 0.00 0.00 179.25 179.42 3ito h ARG 414 N 0.74 -0.66 0.00 0.00 2.43 -0.72 -2.12 114.38 114.04 3ito h ARG 414 Ca 0.15 0.05 -0.06 0.00 -0.81 0.00 0.00 59.98 59.30 3ito h ARG 414 Cb 0.42 0.15 -0.01 0.00 -0.42 0.00 0.00 29.97 30.11 3ito h ARG 414 CO 0.02 -0.44 -0.27 -0.39 -1.51 0.00 0.00 179.97 177.37 3ito h VAL 415 N -0.69 0.80 0.00 0.20 -1.51 -1.25 -1.90 116.25 111.90 3ito h VAL 415 Ca -0.06 -1.12 -0.04 0.00 -1.23 0.00 0.00 66.70 64.24 3ito h VAL 415 Cb 0.54 1.69 -0.01 0.00 -2.13 0.00 0.00 31.29 31.38 3ito h VAL 415 CO 0.10 0.27 -0.19 0.00 -1.23 0.00 0.00 177.57 176.51 3ito h ALA 416 N 1.73 1.67 0.00 5.19 0.00 -0.82 0.26 119.26 127.27 3ito h ALA 416 Ca -0.00 -0.17 -0.24 0.00 0.00 0.00 0.00 54.91 54.49 3ito h ALA 416 Cb 0.67 -0.03 -0.04 0.00 0.00 0.00 0.00 17.79 18.39 3ito h ALA 416 CO 0.04 0.24 -1.31 0.00 0.00 0.00 0.00 179.25 178.22 3ito h ALA 417 N 1.81 0.56 0.00 0.00 0.00 -0.70 -3.33 119.26 117.60 3ito h ALA 417 Ca -0.00 -1.14 -0.08 0.00 0.00 0.00 0.00 54.91 53.69 3ito h ALA 417 Cb 0.34 0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.27 3ito h ALA 417 CO 0.02 1.36 -0.62 0.93 0.00 0.00 0.00 179.25 180.95 3ito h GLU 418 N 0.00 0.00 -6.32 0.00 5.08 -0.81 -3.46 114.58 109.07 3ito h GLU 418 Ca -0.14 0.00 -0.61 0.00 -1.00 0.00 0.00 59.36 57.62 3ito h GLU 418 Cb 1.86 0.00 -0.11 0.00 0.50 0.00 0.00 28.75 31.00 3ito h GLU 418 CO 0.10 0.31 -0.64 1.03 -1.00 0.00 0.00 179.01 178.81 3ito s ARG 419 N -3.04 2.52 1.28 2.33 0.52 0.84 -5.08 118.95 118.31 3ito s ARG 419 Ca 0.03 -1.01 -0.18 0.00 -0.52 0.00 0.00 55.73 54.05 3ito s ARG 419 Cb 0.07 -2.44 0.30 0.00 0.52 0.00 0.00 34.95 33.40 3ito s ARG 419 CO 0.75 0.48 0.75 -2.30 0.02 0.00 0.00 175.30 175.00 3ito n PRO 420 N -0.02 -3.33 0.00 3.54 -0.02 -1.26 -4.78 135.00 129.14 3ito n PRO 420 Ca -0.10 -0.97 0.12 0.00 -2.02 0.00 0.00 63.50 60.54 3ito n PRO 420 Cb 0.54 -1.94 0.17 0.00 -0.02 0.00 0.00 33.50 32.26 3ito n PRO 420 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48