#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ity h ARG 5 N 0.00 1.16 -5.33 -1.08 2.47 -1.93 -3.40 114.38 106.27 3ity h ARG 5 Ca 0.00 -0.11 -0.64 0.00 -1.26 0.00 0.00 59.98 57.97 3ity h ARG 5 Cb 0.00 -0.24 -0.23 0.00 -1.65 0.00 0.00 29.97 27.85 3ity h ARG 5 CO 0.00 0.82 -0.69 0.42 0.56 0.00 0.00 179.97 181.07 3ity s ILE 6 N -5.96 3.66 0.18 2.04 -1.09 -1.26 -5.03 121.20 113.74 3ity s ILE 6 Ca -0.13 -0.44 -0.33 0.00 -2.23 0.00 0.00 60.65 57.52 3ity s ILE 6 Cb 0.16 -2.59 -0.13 0.00 -1.58 0.00 0.00 42.46 38.33 3ity s ILE 6 CO 0.81 0.50 1.66 0.00 -1.23 0.00 0.00 174.94 176.68 3ity n ALA 7 N 3.49 2.05 -0.33 9.38 0.00 -1.26 -4.89 120.51 128.94 3ity n ALA 7 Ca -0.18 0.42 0.03 0.00 0.00 0.00 0.00 53.44 53.72 3ity n ALA 7 Cb 0.53 -2.44 0.21 0.00 0.00 0.00 0.00 19.45 17.75 3ity n ALA 7 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.50 179.46 3ity h GLN 8 N 6.45 1.07 -0.14 0.00 4.20 -1.98 -1.29 115.11 123.43 3ity h GLN 8 Ca -0.44 -0.06 0.00 0.00 0.06 0.00 0.00 58.65 58.21 3ity h GLN 8 Cb 1.23 -0.24 -0.01 0.00 0.30 0.00 0.00 27.48 28.76 3ity h GLN 8 CO 0.92 0.71 0.09 0.38 -0.67 0.00 0.00 178.83 180.26 3ity h ASP 9 N 1.10 0.16 -0.10 1.46 3.04 -1.98 0.21 116.42 120.30 3ity h ASP 9 Ca 0.41 -0.00 -0.06 0.00 -3.24 0.00 0.00 57.03 54.14 3ity h ASP 9 Cb 0.18 -0.04 -0.00 0.00 -1.04 0.00 0.00 39.33 38.43 3ity h ASP 9 CO -0.16 0.12 -0.16 0.58 -2.04 0.00 0.00 179.24 177.58 3ity h VAL 10 N 0.19 1.38 -0.39 4.15 2.07 -1.62 0.32 116.25 122.34 3ity h VAL 10 Ca 0.05 -1.40 -0.00 0.00 0.82 0.00 0.00 66.70 66.17 3ity h VAL 10 Cb -0.02 2.07 -0.02 0.00 -1.52 0.00 0.00 31.29 31.80 3ity h VAL 10 CO -0.01 0.40 0.24 0.58 0.02 0.00 0.00 177.57 178.80 3ity h VAL 11 N -0.15 1.12 -0.44 2.57 2.07 -0.96 -0.63 116.25 119.82 3ity h VAL 11 Ca 0.01 -0.26 -0.02 0.00 0.82 0.00 0.00 66.70 67.25 3ity h VAL 11 Cb 0.72 0.59 -0.02 0.00 -1.52 0.00 0.00 31.29 31.06 3ity h VAL 11 CO 0.04 0.12 0.20 0.00 0.02 0.00 0.00 177.57 177.94 3ity h ALA 12 N 1.11 0.58 -0.12 1.67 0.00 -0.60 -0.58 119.26 121.32 3ity h ALA 12 Ca 0.14 -0.13 0.01 0.00 0.00 0.00 0.00 54.91 54.93 3ity h ALA 12 Cb -0.02 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.59 3ity h ALA 12 CO -0.03 0.16 0.06 -0.09 0.00 0.00 0.00 179.25 179.36 3ity h ARG 13 N 0.58 0.13 -0.01 0.00 2.43 -0.63 -0.04 114.38 116.84 3ity h ARG 13 Ca 0.15 -0.01 -0.09 0.00 -0.81 0.00 0.00 59.98 59.22 3ity h ARG 13 Cb 0.16 -0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 29.66 3ity h ARG 13 CO -0.02 0.09 -0.44 0.93 -1.51 0.00 0.00 179.97 179.02 3ity h GLU 14 N 0.14 0.03 -0.18 0.20 4.39 -1.02 -1.74 114.58 116.40 3ity h GLU 14 Ca 0.05 -0.01 -0.10 0.00 0.34 0.00 0.00 59.36 59.64 3ity h GLU 14 Cb 0.00 -0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 28.65 3ity h GLU 14 CO -0.03 0.46 -0.27 -0.91 -1.16 0.00 0.00 179.01 177.10 3ity h ASN 15 N 0.02 0.54 -0.45 1.42 -0.26 -0.79 -3.05 115.58 113.02 3ity h ASN 15 Ca -0.00 -0.52 -0.03 0.00 -0.56 0.00 0.00 56.30 55.19 3ity h ASN 15 Cb 0.79 -0.15 -0.02 0.00 -1.06 0.00 0.00 38.32 37.87 3ity h ASN 15 CO 0.06 0.96 0.20 0.44 -1.06 0.00 0.00 177.43 178.02 3ity h ASP 16 N 0.14 0.64 0.17 5.81 3.32 -0.81 -0.58 116.42 125.11 3ity h ASP 16 Ca 0.02 -0.07 -0.04 0.00 0.02 0.00 0.00 57.03 56.95 3ity h ASP 16 Cb 0.84 -0.16 -0.01 0.00 0.22 0.00 0.00 39.33 40.22 3ity h ASP 16 CO 0.06 0.58 -0.19 -0.09 -1.72 0.00 0.00 179.24 177.89 3ity h ARG 17 N 0.70 0.04 -0.24 3.56 2.43 -1.28 -2.98 114.38 116.62 3ity h ARG 17 Ca 0.17 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.33 3ity h ARG 17 Cb 0.14 -0.01 0.00 0.00 -0.42 0.00 0.00 29.97 29.69 3ity h ARG 17 CO -0.02 0.23 0.00 0.54 -1.51 0.00 0.00 179.97 179.22 3ity n ARG 18 N -4.30 1.95 -0.14 0.20 1.74 -0.79 -4.67 116.66 110.65 3ity n ARG 18 Ca -0.02 -1.81 -0.08 0.00 -0.77 0.00 0.00 57.85 55.17 3ity n ARG 18 Cb 0.26 -1.32 0.01 0.00 -1.02 0.00 0.00 32.46 30.39 3ity n ARG 18 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3ity h ALA 19 N 2.76 0.56 -0.20 7.54 0.00 -0.96 -1.74 119.26 127.22 3ity h ALA 19 Ca 0.00 -0.05 0.02 0.00 0.00 0.00 0.00 54.91 54.88 3ity h ALA 19 Cb 0.71 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 18.30 3ity h ALA 19 CO 0.00 0.03 0.07 1.03 0.00 0.00 0.00 179.25 180.38 3ity h SER 20 N 0.59 0.09 -0.65 0.00 0.87 -1.83 -0.41 113.55 112.20 3ity h SER 20 Ca 0.16 0.02 -0.07 0.00 -1.23 0.00 0.00 61.79 60.67 3ity h SER 20 Cb -0.03 0.01 -0.03 0.00 -0.44 0.00 0.00 62.40 61.91 3ity h SER 20 CO -0.03 0.08 0.15 0.00 -0.53 0.00 0.00 176.83 176.49 3ity h ALA 21 N 1.12 0.86 -0.59 6.23 0.00 -1.87 -2.08 119.26 122.94 3ity h ALA 21 Ca 0.08 -0.25 -0.01 0.00 0.00 0.00 0.00 54.91 54.74 3ity h ALA 21 Cb 0.05 -0.25 -0.03 0.00 0.00 0.00 0.00 17.79 17.56 3ity h ALA 21 CO -0.08 0.59 0.35 1.25 0.00 0.00 0.00 179.25 181.35 3ity h LEU 22 N 0.98 0.71 0.08 0.00 5.85 -1.02 -0.84 115.31 121.07 3ity h LEU 22 Ca 0.20 -0.07 0.01 0.00 0.84 0.00 0.00 57.88 58.86 3ity h LEU 22 Cb 0.38 -0.18 -0.01 0.00 0.37 0.00 0.00 40.66 41.22 3ity h LEU 22 CO 0.00 0.57 -0.11 0.50 -0.34 0.00 0.00 178.44 179.06 3ity h LYS 23 N 0.79 -0.22 -0.29 1.25 3.64 -0.82 0.15 116.57 121.06 3ity h LYS 23 Ca 0.21 0.02 0.02 0.00 -1.27 0.00 0.00 60.65 59.62 3ity h LYS 23 Cb -0.00 0.05 -0.02 0.00 -0.41 0.00 0.00 32.23 31.85 3ity h LYS 23 CO -0.04 -0.15 0.15 0.93 -2.27 0.00 0.00 179.45 178.07 3ity h GLU 24 N -0.23 0.31 -0.32 1.90 4.39 -1.14 -0.96 114.58 118.52 3ity h GLU 24 Ca 0.02 -0.02 -0.08 0.00 0.34 0.00 0.00 59.36 59.61 3ity h GLU 24 Cb 0.24 -0.07 -0.01 0.00 -0.10 0.00 0.00 28.75 28.81 3ity h GLU 24 CO -0.06 0.20 -0.13 -0.44 -1.16 0.00 0.00 179.01 177.43 3ity h ASP 25 N 0.32 0.67 -0.41 1.42 3.32 -1.01 -1.79 116.42 118.94 3ity h ASP 25 Ca 0.12 -0.39 -0.04 0.00 0.02 0.00 0.00 57.03 56.74 3ity h ASP 25 Cb 0.03 -0.18 -0.02 0.00 0.22 0.00 0.00 39.33 39.38 3ity h ASP 25 CO -0.08 0.91 0.10 0.22 -1.72 0.00 0.00 179.24 178.68 3ity h TYR 26 N 0.42 0.68 -0.11 4.55 3.20 -0.63 -0.35 116.97 124.73 3ity h TYR 26 Ca 0.08 -0.08 -0.11 0.00 3.14 0.00 0.00 58.73 61.76 3ity h TYR 26 Cb 0.64 -0.19 -0.01 0.00 1.54 0.00 0.00 36.73 38.71 3ity h TYR 26 CO 0.06 0.65 -0.40 0.93 -1.64 0.00 0.00 178.16 177.75 3ity h GLU 27 N 0.52 0.24 -0.31 1.82 5.08 -1.20 0.26 114.58 120.99 3ity h GLU 27 Ca 0.13 -0.11 -0.10 0.00 -1.00 0.00 0.00 59.36 58.27 3ity h GLU 27 Cb 0.30 -0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.54 3ity h GLU 27 CO 0.00 0.61 -0.21 0.00 -1.00 0.00 0.00 179.01 178.42 3ity h ALA 28 N 1.38 0.44 -0.45 3.43 0.00 -1.12 -2.10 119.26 120.83 3ity h ALA 28 Ca 0.02 -0.36 -0.09 0.00 0.00 0.00 0.00 54.91 54.48 3ity h ALA 28 Cb 0.81 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.48 3ity h ALA 28 CO 0.06 0.39 -0.09 1.25 0.00 0.00 0.00 179.25 180.86 3ity h LEU 29 N 0.43 0.78 -0.77 0.00 5.85 -0.74 -2.11 115.31 118.75 3ity h LEU 29 Ca 0.06 -0.23 -0.01 0.00 0.84 0.00 0.00 57.88 58.54 3ity h LEU 29 Cb 0.75 -0.21 -0.04 0.00 0.37 0.00 0.00 40.66 41.53 3ity h LEU 29 CO 0.06 0.90 0.45 1.23 -0.34 0.00 0.00 178.44 180.74 3ity h GLY 30 N 0.97 1.13 1.05 3.75 0.00 -0.32 0.45 103.07 110.10 3ity h GLY 30 Ca 0.13 -0.49 -0.11 0.00 0.00 0.00 0.00 47.33 46.85 3ity h GLY 30 CO 0.04 0.47 -0.17 0.00 0.00 0.00 0.00 176.54 176.88 3ity h ALA 31 N 1.23 0.62 -0.57 3.60 0.00 -1.19 -0.47 119.26 122.48 3ity h ALA 31 Ca 0.27 -0.36 -0.04 0.00 0.00 0.00 0.00 54.91 54.78 3ity h ALA 31 Cb -0.01 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.60 3ity h ALA 31 CO -0.05 0.56 0.20 -0.97 0.00 0.00 0.00 179.25 178.99 3ity h ASN 32 N 0.73 0.82 -0.37 0.00 -0.73 -1.07 -1.43 115.58 113.53 3ity h ASN 32 Ca 0.11 -0.19 -0.11 0.00 1.87 0.00 0.00 56.30 57.98 3ity h ASN 32 Cb 0.72 -0.21 -0.02 0.00 0.27 0.00 0.00 38.32 39.08 3ity h ASN 32 CO 0.06 0.79 -0.15 -0.07 -0.37 0.00 0.00 177.43 177.68 3ity h LEU 33 N 0.80 0.84 -0.87 0.34 3.38 -0.79 -2.73 115.31 116.28 3ity h LEU 33 Ca 0.19 -0.28 -0.01 0.00 0.09 0.00 0.00 57.88 57.88 3ity h LEU 33 Cb 0.24 -0.23 -0.04 0.00 0.09 0.00 0.00 40.66 40.72 3ity h LEU 33 CO -0.01 0.99 0.52 0.00 0.09 0.00 0.00 178.44 180.03 3ity h ALA 34 N 1.08 1.11 0.00 1.53 0.00 -0.72 0.15 119.26 122.41 3ity h ALA 34 Ca 0.12 -0.10 -0.01 0.00 0.00 0.00 0.00 54.91 54.91 3ity h ALA 34 Cb 0.66 -0.35 -0.00 0.00 0.00 0.00 0.00 17.79 18.10 3ity h ALA 34 CO 0.05 0.58 -0.06 0.00 0.00 0.00 0.00 179.25 179.81 3ity h ARG 35 N 1.20 0.00 -0.19 0.00 3.08 -1.02 -0.74 114.38 116.72 3ity h ARG 35 Ca 0.31 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.36 3ity h ARG 35 Cb -0.04 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.01 3ity h ARG 35 CO -0.06 0.06 0.00 0.54 -1.07 0.00 0.00 179.97 179.45 3ity n ARG 36 N -3.44 2.08 -0.90 0.04 1.74 -0.02 -4.94 116.66 111.22 3ity n ARG 36 Ca -0.02 -1.61 0.00 0.00 -0.77 0.00 0.00 57.85 55.45 3ity n ARG 36 Cb 0.20 -1.46 0.00 0.00 -1.02 0.00 0.00 32.46 30.18 3ity n ARG 36 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3ity n GLY 37 N 1.30 0.44 3.43 -0.13 0.00 -0.28 -5.05 105.19 104.90 3ity n GLY 37 Ca 0.17 -0.95 -0.33 0.00 0.00 0.00 0.00 46.02 44.91 3ity n GLY 37 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3ity s VAL 38 N -2.00 3.03 -0.50 1.61 1.01 0.33 -4.98 120.40 118.90 3ity s VAL 38 Ca 0.00 -0.71 -0.20 0.00 0.00 0.00 0.00 61.98 61.07 3ity s VAL 38 Cb 0.00 -2.22 0.05 0.00 0.00 0.00 0.00 36.38 34.21 3ity s VAL 38 CO 0.00 0.56 0.69 -0.62 0.00 0.00 0.00 175.10 175.73 3ity s ASP 39 N -0.28 6.27 0.45 3.32 -1.08 -1.26 -2.87 116.67 121.22 3ity s ASP 39 Ca 0.02 -0.66 0.16 0.00 -0.52 0.00 0.00 52.55 51.56 3ity s ASP 39 Cb -0.13 -2.32 1.10 0.00 -1.46 0.00 0.00 42.92 40.11 3ity s ASP 39 CO 0.03 -0.92 1.97 -0.29 0.52 0.00 0.00 175.17 176.47 3ity h ILE 40 N 5.89 0.84 -0.48 4.11 2.10 -1.92 -0.80 117.51 127.25 3ity h ILE 40 Ca -0.27 -0.12 -0.07 0.00 1.08 0.00 0.00 64.86 65.49 3ity h ILE 40 Cb 1.09 0.47 -0.02 0.00 -1.09 0.00 0.00 36.82 37.27 3ity h ILE 40 CO 0.97 0.06 0.03 -0.08 -1.08 0.00 0.00 178.15 178.05 3ity h GLU 41 N 0.34 0.78 -0.36 2.19 4.57 -1.98 -0.75 114.58 119.37 3ity h GLU 41 Ca 0.30 -0.19 -0.09 0.00 -1.18 0.00 0.00 59.36 58.20 3ity h GLU 41 Cb 0.71 -0.10 -0.02 0.00 -0.16 0.00 0.00 28.75 29.18 3ity h GLU 41 CO -0.08 0.77 -0.14 0.00 -1.18 0.00 0.00 179.01 178.38 3ity h ALA 42 N 1.30 1.09 -0.07 2.92 0.00 -1.56 -1.24 119.26 121.69 3ity h ALA 42 Ca 0.15 -0.31 -0.04 0.00 0.00 0.00 0.00 54.91 54.72 3ity h ALA 42 Cb 0.40 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 18.04 3ity h ALA 42 CO 0.01 0.56 -0.10 0.28 0.00 0.00 0.00 179.25 180.01 3ity h VAL 43 N 0.58 1.39 -0.91 0.00 2.07 -1.21 -2.98 116.25 115.19 3ity h VAL 43 Ca 0.10 -1.33 0.04 0.00 0.82 0.00 0.00 66.70 66.33 3ity h VAL 43 Cb 0.58 2.12 -0.06 0.00 -1.52 0.00 0.00 31.29 32.41 3ity h VAL 43 CO 0.04 0.37 0.59 0.74 0.02 0.00 0.00 177.57 179.33 3ity h THR 44 N -0.27 1.14 -0.25 2.57 2.02 -1.05 0.37 112.91 117.43 3ity h THR 44 Ca 0.01 -0.39 -0.00 0.00 0.77 0.00 0.00 66.41 66.80 3ity h THR 44 Cb 0.64 -0.09 -0.01 0.00 -1.74 0.00 0.00 68.15 66.95 3ity h THR 44 CO 0.02 0.21 0.15 0.00 0.37 0.00 0.00 175.52 176.27 3ity h ALA 45 N 1.38 1.80 0.18 6.16 0.00 -1.22 -0.44 119.26 127.13 3ity h ALA 45 Ca 0.37 -0.03 -0.33 0.00 0.00 0.00 0.00 54.91 54.92 3ity h ALA 45 Cb 0.03 -0.10 0.01 0.00 0.00 0.00 0.00 17.79 17.73 3ity h ALA 45 CO -0.13 0.18 -1.62 0.87 0.00 0.00 0.00 179.25 178.55 3ity h LYS 46 N 0.34 0.38 -0.72 0.00 1.57 -1.16 -3.35 116.57 113.64 3ity h LYS 46 Ca 0.09 -0.66 0.01 0.00 -1.87 0.00 0.00 60.65 58.23 3ity h LYS 46 Cb -0.02 0.24 -0.04 0.00 0.08 0.00 0.00 32.23 32.50 3ity h LYS 46 CO -0.02 1.29 0.48 0.28 -0.57 0.00 0.00 179.45 180.91 3ity h VAL 47 N 0.10 1.18 0.00 0.50 2.07 -0.47 -1.60 116.25 118.03 3ity h VAL 47 Ca -0.29 -0.33 0.00 0.00 0.82 0.00 0.00 66.70 66.89 3ity h VAL 47 Cb 2.09 0.12 0.00 0.00 -1.52 0.00 0.00 31.29 31.98 3ity h VAL 47 CO 0.20 0.18 0.00 -1.84 0.02 0.00 0.00 177.57 176.12 3ity n GLU 48 N -4.59 0.00 -0.19 1.57 0.28 -0.22 -1.67 120.64 115.83 3ity n GLU 48 Ca 0.07 0.35 0.05 0.00 -0.16 0.00 0.00 57.16 57.48 3ity n GLU 48 Cb 0.02 -1.50 0.15 0.00 1.43 0.00 0.00 31.44 31.54 3ity n GLU 48 CO 0.00 0.00 0.00 1.63 -0.16 0.00 0.00 177.13 178.60 3ity n LYS 49 N -1.50 2.86 -3.24 3.44 5.02 -0.62 -4.95 118.16 119.18 3ity n LYS 49 Ca 0.02 -2.11 -0.40 0.00 -2.02 0.00 0.00 58.31 53.80 3ity n LYS 49 Cb 0.10 -1.32 -0.07 0.00 -0.02 0.00 0.00 35.03 33.71 3ity n LYS 49 CO 0.00 0.00 0.00 0.12 -0.52 0.00 0.00 177.40 177.00 3ity s PHE 50 N -1.32 3.28 0.14 2.13 5.36 -0.67 -5.05 117.98 121.85 3ity s PHE 50 Ca 0.23 0.65 0.11 0.00 -0.96 0.00 0.00 56.93 56.96 3ity s PHE 50 Cb 0.14 -2.71 -0.04 0.00 -0.34 0.00 0.00 43.02 40.07 3ity s PHE 50 CO 0.12 -0.25 -0.26 -0.06 -1.46 0.00 0.00 175.22 173.31 3ity s PHE 51 N 2.21 2.25 -0.02 10.12 0.08 -1.26 -4.75 117.98 126.61 3ity s PHE 51 Ca 0.21 -0.38 0.01 0.00 0.12 0.00 0.00 56.93 56.89 3ity s PHE 51 Cb -0.16 -1.20 0.01 0.00 -0.57 0.00 0.00 43.02 41.11 3ity s PHE 51 CO 0.09 0.35 -0.02 0.54 -0.10 0.00 0.00 175.22 176.08 3ity s VAL 52 N -1.19 0.25 0.50 -0.44 0.11 -0.54 -4.83 120.40 114.25 3ity s VAL 52 Ca 0.14 -0.04 -0.21 0.00 -2.93 0.00 0.00 61.98 58.94 3ity s VAL 52 Cb -0.10 -0.27 -0.07 0.00 -1.53 0.00 0.00 36.38 34.41 3ity s VAL 52 CO 0.06 0.12 1.13 0.00 -3.33 0.00 0.00 175.10 173.08 3ity s ALA 53 N 0.46 2.83 -0.10 1.54 0.00 -0.37 -4.28 121.76 121.86 3ity s ALA 53 Ca -0.05 0.84 -0.01 0.00 0.00 0.00 0.00 51.96 52.73 3ity s ALA 53 Cb -0.08 -3.35 -0.03 0.00 0.00 0.00 0.00 23.12 19.66 3ity s ALA 53 CO -0.01 -0.65 -0.03 0.08 0.00 0.00 0.00 175.76 175.15 3ity s VAL 54 N -1.70 4.01 -0.01 0.00 1.01 -0.56 -1.19 120.40 121.96 3ity s VAL 54 Ca 0.68 -0.35 -0.29 0.00 0.00 0.00 0.00 61.98 62.02 3ity s VAL 54 Cb -0.25 -2.69 -0.03 0.00 0.00 0.00 0.00 36.38 33.41 3ity s VAL 54 CO 0.29 0.57 0.95 -2.16 0.00 0.00 0.00 175.10 174.76 3ity s PRO 55 N -0.53 4.55 0.46 2.72 0.04 -1.25 -0.76 135.00 140.23 3ity s PRO 55 Ca 0.08 1.37 0.12 0.00 0.04 0.00 0.00 61.00 62.61 3ity s PRO 55 Cb -0.12 -3.46 1.06 0.00 0.04 0.00 0.00 34.50 32.02 3ity s PRO 55 CO 0.02 -0.04 2.09 0.66 0.04 0.00 0.00 177.00 179.77 3ity h SER 56 N 6.80 0.25 0.47 6.66 4.64 -1.69 -1.04 113.55 129.64 3ity h SER 56 Ca -0.41 -0.01 0.00 0.00 -0.47 0.00 0.00 61.79 60.91 3ity h SER 56 Cb 1.22 -0.06 0.00 0.00 -0.31 0.00 0.00 62.40 63.25 3ity h SER 56 CO 0.75 0.18 0.00 -2.67 -0.87 0.00 0.00 176.83 174.22 3ity n TRP 57 N -4.50 0.00 1.03 4.77 2.14 -1.26 -3.26 117.44 116.35 3ity n TRP 57 Ca 0.01 0.00 0.12 0.00 2.07 0.00 0.00 57.50 59.70 3ity n TRP 57 Cb 0.10 -0.26 0.33 0.00 -0.81 0.00 0.00 31.31 30.67 3ity n TRP 57 CO 0.00 0.00 0.00 0.41 2.07 0.00 0.00 177.69 180.17 3ity n GLY 58 N 1.02 -1.24 0.04 -1.67 0.00 -0.39 -3.88 105.19 99.06 3ity n GLY 58 Ca 0.14 -0.31 0.13 0.00 0.00 0.00 0.00 46.02 45.98 3ity n GLY 58 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87 3ity n VAL 59 N -1.43 0.21 -3.98 1.61 3.14 -1.20 -4.74 118.33 111.93 3ity n VAL 59 Ca 0.06 -0.12 -0.27 0.00 -2.96 0.00 0.00 64.34 61.05 3ity n VAL 59 Cb 0.33 -0.35 -0.04 0.00 -1.06 0.00 0.00 33.84 32.72 3ity n VAL 59 CO 0.00 0.00 0.00 -0.83 -6.46 0.00 0.00 176.83 169.54 3ity s GLY 60 N -3.25 1.83 0.23 7.55 0.00 -1.25 -4.64 107.32 107.79 3ity s GLY 60 Ca 0.12 -1.04 -0.30 0.00 0.00 0.00 0.00 44.72 43.50 3ity s GLY 60 CO 0.60 -1.03 1.43 -1.59 0.00 0.00 0.00 173.10 172.51 3ity s THR 61 N -1.67 2.74 0.65 0.90 2.01 -1.26 -4.65 115.64 114.37 3ity s THR 61 Ca 0.33 0.61 0.03 0.00 0.31 0.00 0.00 61.69 62.98 3ity s THR 61 Cb -0.11 -3.39 0.10 0.00 0.01 0.00 0.00 72.50 69.11 3ity s THR 61 CO 0.27 0.09 0.90 -0.83 -0.69 0.00 0.00 174.62 174.36 3ity s GLY 62 N 0.43 1.76 0.25 4.40 0.00 -0.17 -4.93 107.32 109.06 3ity s GLY 62 Ca 0.60 -1.82 -0.05 0.00 0.00 0.00 0.00 44.72 43.44 3ity s GLY 62 CO 0.41 -1.32 0.43 0.61 0.00 0.00 0.00 173.10 173.23 3ity n GLY 63 N -2.59 1.92 3.31 0.20 0.00 -1.26 -4.26 105.19 102.51 3ity n GLY 63 Ca 0.14 -1.38 -0.28 0.00 0.00 0.00 0.00 46.02 44.50 3ity n GLY 63 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3ity n THR 64 N -0.38 0.00 0.35 2.61 -2.24 -0.46 -4.98 114.28 109.17 3ity n THR 64 Ca -0.02 -2.13 0.13 0.00 -2.27 0.00 0.00 64.05 59.75 3ity n THR 64 Cb 0.40 0.34 0.54 0.00 -2.10 0.00 0.00 70.33 69.52 3ity n THR 64 CO 0.00 0.00 0.00 0.08 -0.57 0.00 0.00 175.07 174.58 3ity h ARG 65 N 0.00 0.00 0.06 -0.78 0.11 -2.05 -2.92 114.38 108.79 3ity h ARG 65 Ca -0.37 0.00 -0.29 0.00 0.10 0.00 0.00 59.98 59.42 3ity h ARG 65 Cb 1.15 0.00 -0.03 0.00 1.11 0.00 0.00 29.97 32.20 3ity h ARG 65 CO 0.61 0.00 -1.57 0.74 0.10 0.00 0.00 179.97 179.85 3ity h PHE 66 N 0.00 0.22 0.00 4.08 0.04 -2.06 -3.49 116.94 115.73 3ity h PHE 66 Ca 0.00 -0.16 0.00 0.00 2.80 0.00 0.00 57.97 60.61 3ity h PHE 66 Cb 0.31 -0.01 0.00 0.00 2.20 0.00 0.00 35.95 38.46 3ity h PHE 66 CO 0.00 1.23 0.00 0.00 -0.60 0.00 0.00 178.31 178.94 3ity n ALA 67 N -2.62 0.00 -3.51 2.45 0.00 -1.10 -5.14 120.51 110.59 3ity n ALA 67 Ca -0.16 0.00 -0.24 0.00 0.00 0.00 0.00 53.44 53.04 3ity n ALA 67 Cb 1.03 0.00 -0.17 0.00 0.00 0.00 0.00 19.45 20.32 3ity n ALA 67 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.50 178.00 3ity s ARG 68 N -2.00 1.61 -0.70 0.00 3.52 -1.26 -1.35 118.95 118.77 3ity s ARG 68 Ca 0.00 -0.37 0.03 0.00 -0.13 0.00 0.00 55.73 55.25 3ity s ARG 68 Cb 0.00 -1.36 0.17 0.00 -1.56 0.00 0.00 34.95 32.20 3ity s ARG 68 CO 0.00 -0.00 0.50 -0.06 -0.81 0.00 0.00 175.30 174.93 3ity s PHE 69 N 0.75 3.54 0.69 5.12 0.08 -1.26 -5.06 117.98 121.85 3ity s PHE 69 Ca -0.13 -3.18 -0.16 0.00 0.12 0.00 0.00 56.93 53.58 3ity s PHE 69 Cb -0.15 -2.90 0.02 0.00 -0.57 0.00 0.00 43.02 39.41 3ity s PHE 69 CO 0.03 -0.66 1.25 -1.25 -0.10 0.00 0.00 175.22 174.49 3ity s PRO 70 N -1.04 2.30 0.00 0.24 0.04 -1.26 -4.95 135.00 130.33 3ity s PRO 70 Ca 0.23 1.93 0.00 0.00 0.04 0.00 0.00 61.00 63.20 3ity s PRO 70 Cb -0.11 -1.83 0.00 0.00 0.04 0.00 0.00 34.50 32.59 3ity s PRO 70 CO -0.11 -1.75 0.00 0.41 0.04 0.00 0.00 177.00 175.59 3ity n GLY 71 N 0.69 1.54 3.89 0.56 0.00 -1.26 -5.10 105.19 105.52 3ity n GLY 71 Ca 0.15 -2.04 -0.29 0.00 0.00 0.00 0.00 46.02 43.84 3ity n GLY 71 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3ity s THR 72 N 1.07 4.86 -1.42 2.61 -4.23 -1.26 -4.30 115.64 112.97 3ity s THR 72 Ca 0.00 0.38 -0.10 0.00 -1.18 0.00 0.00 61.69 60.79 3ity s THR 72 Cb 0.00 -3.82 0.03 0.00 1.34 0.00 0.00 72.50 70.05 3ity s THR 72 CO 0.00 -0.75 1.09 0.61 -0.54 0.00 0.00 174.62 175.03 3ity n GLY 73 N -1.95 -0.53 3.75 3.99 0.00 -1.26 -4.77 105.19 104.41 3ity n GLY 73 Ca 0.01 0.23 -0.41 0.00 0.00 0.00 0.00 46.02 45.86 3ity n GLY 73 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3ity s GLU 74 N -6.35 4.27 0.29 1.61 0.41 -1.26 -4.73 118.70 112.93 3ity s GLU 74 Ca 0.59 2.31 -0.30 0.00 -0.41 0.00 0.00 54.97 57.16 3ity s GLU 74 Cb -0.27 -3.08 -0.12 0.00 -1.78 0.00 0.00 34.13 28.88 3ity s GLU 74 CO 0.73 -0.38 1.61 -0.35 -0.49 0.00 0.00 175.26 176.37 3ity n PRO 75 N 1.78 2.72 0.10 0.39 -0.04 -1.26 -4.89 135.00 133.80 3ity n PRO 75 Ca 0.05 0.97 -0.01 0.00 -0.04 0.00 0.00 63.50 64.46 3ity n PRO 75 Cb 0.40 -2.76 -0.04 0.00 -0.04 0.00 0.00 33.50 31.07 3ity n PRO 75 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3ity h ARG 76 N 4.88 0.00 0.00 0.54 3.08 -1.92 -3.48 114.38 117.48 3ity h ARG 76 Ca -0.47 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.58 3ity h ARG 76 Cb 1.22 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.27 3ity h ARG 76 CO 0.80 0.65 0.00 0.41 -1.07 0.00 0.00 179.97 180.76 3ity n GLY 77 N 1.29 1.88 0.28 0.04 0.00 -1.26 -5.03 105.19 102.39 3ity n GLY 77 Ca -0.00 -0.94 0.02 0.00 0.00 0.00 0.00 46.02 45.10 3ity n GLY 77 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 3ity h ILE 78 N 0.85 1.15 -0.34 -0.61 6.09 -1.91 -1.84 117.51 120.89 3ity h ILE 78 Ca 0.00 -0.49 -0.12 0.00 -1.37 0.00 0.00 64.86 62.88 3ity h ILE 78 Cb 0.00 0.78 -0.01 0.00 0.47 0.00 0.00 36.82 38.05 3ity h ILE 78 CO 0.00 0.18 -0.28 -0.26 -3.07 0.00 0.00 178.15 174.72 3ity h PHE 79 N 0.48 0.82 -0.46 2.19 0.04 -1.96 -0.18 116.94 117.87 3ity h PHE 79 Ca 0.12 -0.20 -0.13 0.00 2.80 0.00 0.00 57.97 60.56 3ity h PHE 79 Cb 0.14 -0.19 -0.01 0.00 2.20 0.00 0.00 35.95 38.09 3ity h PHE 79 CO 0.01 0.91 -0.22 -0.44 -0.60 0.00 0.00 178.31 177.97 3ity h ASP 80 N 0.61 0.95 -0.74 2.17 3.32 -1.88 -2.22 116.42 118.63 3ity h ASP 80 Ca 0.08 -0.36 -0.02 0.00 0.02 0.00 0.00 57.03 56.74 3ity h ASP 80 Cb 0.79 -0.26 -0.03 0.00 0.22 0.00 0.00 39.33 40.04 3ity h ASP 80 CO 0.06 1.13 0.37 0.11 -1.72 0.00 0.00 179.24 179.19 3ity h LYS 81 N 0.80 1.05 -0.71 3.56 1.57 -0.92 -1.05 116.57 120.88 3ity h LYS 81 Ca 0.11 -0.15 -0.07 0.00 -1.87 0.00 0.00 60.65 58.67 3ity h LYS 81 Cb 0.78 -0.19 -0.03 0.00 0.08 0.00 0.00 32.23 32.87 3ity h LYS 81 CO 0.06 0.81 0.18 -0.07 -0.57 0.00 0.00 179.45 179.86 3ity h LEU 82 N 1.03 1.07 -0.85 2.94 3.38 -0.92 0.91 115.31 122.87 3ity h LEU 82 Ca 0.25 -0.23 0.06 0.00 0.09 0.00 0.00 57.88 58.06 3ity h LEU 82 Cb 0.10 -0.28 -0.06 0.00 0.09 0.00 0.00 40.66 40.50 3ity h LEU 82 CO -0.03 1.02 0.52 0.44 0.09 0.00 0.00 178.44 180.48 3ity h ASP 83 N 1.06 0.82 0.26 -0.43 3.32 -0.76 0.11 116.42 120.80 3ity h ASP 83 Ca 0.22 0.02 -0.18 0.00 0.02 0.00 0.00 57.03 57.11 3ity h ASP 83 Cb 0.37 -0.15 -0.00 0.00 0.22 0.00 0.00 39.33 39.76 3ity h ASP 83 CO 0.00 0.52 -0.73 0.44 -1.72 0.00 0.00 179.24 177.75 3ity h ASP 84 N 0.95 0.48 0.13 6.45 3.32 -0.65 -2.96 116.42 124.14 3ity h ASP 84 Ca 0.37 -0.32 -0.05 0.00 0.02 0.00 0.00 57.03 57.05 3ity h ASP 84 Cb 0.18 -0.14 -0.01 0.00 0.22 0.00 0.00 39.33 39.58 3ity h ASP 84 CO -0.18 1.06 -0.19 0.00 -1.72 0.00 0.00 179.24 178.21 3ity h ALA 86 N 1.69 1.47 -0.24 0.00 0.00 -0.83 -2.04 119.26 119.30 3ity h ALA 86 Ca 0.02 -0.25 -0.06 0.00 0.00 0.00 0.00 54.91 54.63 3ity h ALA 86 Cb 0.42 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.15 3ity h ALA 86 CO 0.03 0.34 -0.08 0.28 0.00 0.00 0.00 179.25 179.82 3ity h VAL 87 N 0.00 1.29 -0.55 0.00 2.07 -1.34 -0.32 116.25 117.40 3ity h VAL 87 Ca -0.00 -1.11 0.01 0.00 0.82 0.00 0.00 66.70 66.42 3ity h VAL 87 Cb 0.50 1.51 -0.03 0.00 -1.52 0.00 0.00 31.29 31.76 3ity h VAL 87 CO 0.04 0.34 0.35 0.40 0.02 0.00 0.00 177.57 178.72 3ity h ILE 88 N 0.21 1.12 -0.26 4.57 2.04 -1.35 -1.32 117.51 122.52 3ity h ILE 88 Ca 0.06 -0.25 -0.07 0.00 1.00 0.00 0.00 64.86 65.60 3ity h ILE 88 Cb 0.55 0.34 -0.01 0.00 -0.74 0.00 0.00 36.82 36.97 3ity h ILE 88 CO 0.03 0.13 -0.12 -0.61 0.00 0.00 0.00 178.15 177.58 3ity h GLN 89 N 0.72 0.53 -0.59 2.37 5.75 -1.32 -0.31 115.11 122.26 3ity h GLN 89 Ca 0.20 -0.23 0.02 0.00 -0.15 0.00 0.00 58.65 58.49 3ity h GLN 89 Cb -0.06 -0.02 -0.03 0.00 1.07 0.00 0.00 27.48 28.44 3ity h GLN 89 CO -0.06 0.79 0.37 0.37 -2.65 0.00 0.00 178.83 177.65 3ity h GLN 90 N 0.26 0.72 0.13 1.69 4.15 -0.84 0.61 115.11 121.83 3ity h GLN 90 Ca 0.06 -0.04 -0.28 0.00 0.77 0.00 0.00 58.65 59.16 3ity h GLN 90 Cb 0.63 -0.16 0.01 0.00 0.21 0.00 0.00 27.48 28.16 3ity h GLN 90 CO 0.04 0.48 -1.24 -0.07 -1.93 0.00 0.00 178.83 176.11 3ity h LEU 91 N 0.75 0.52 0.00 -2.39 3.38 -1.24 -3.34 115.31 112.99 3ity h LEU 91 Ca 0.23 -0.54 -0.25 0.00 0.09 0.00 0.00 57.88 57.41 3ity h LEU 91 Cb -0.03 -0.17 -0.05 0.00 0.09 0.00 0.00 40.66 40.51 3ity h LEU 91 CO -0.08 1.40 -2.26 0.35 0.09 0.00 0.00 178.44 177.95 3ity n THR 92 N -3.60 0.94 -1.54 0.22 -2.24 -0.13 -1.31 114.28 106.61 3ity n THR 92 Ca -0.10 -0.74 -0.19 0.00 -2.27 0.00 0.00 64.05 60.75 3ity n THR 92 Cb 1.01 -0.31 -0.08 0.00 -2.10 0.00 0.00 70.33 68.84 3ity n THR 92 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 3ity n ARG 93 N -2.59 -1.49 0.00 -0.78 5.12 0.21 -4.78 116.66 112.36 3ity n ARG 93 Ca -0.24 1.15 0.05 0.00 -1.93 0.00 0.00 57.85 56.88 3ity n ARG 93 Cb 0.97 -5.53 0.02 0.00 -1.16 0.00 0.00 32.46 26.76 3ity n ARG 93 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 3ity n ALA 94 N 1.29 2.67 -3.08 7.54 0.00 -1.26 -4.76 120.51 122.91 3ity n ALA 94 Ca -0.19 -0.50 -0.22 0.00 0.00 0.00 0.00 53.44 52.53 3ity n ALA 94 Cb 0.65 -0.35 -0.04 0.00 0.00 0.00 0.00 19.45 19.72 3ity n ALA 94 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 3ity n THR 95 N 0.13 1.27 0.31 0.00 -2.24 -1.26 -1.47 114.28 111.02 3ity n THR 95 Ca 0.05 -5.03 0.20 0.00 -2.27 0.00 0.00 64.05 57.00 3ity n THR 95 Cb 0.23 -0.80 0.92 0.00 -2.10 0.00 0.00 70.33 68.59 3ity n THR 95 CO 0.00 0.00 0.00 1.55 -0.57 0.00 0.00 175.07 176.05 3ity h PRO 96 N 3.01 0.00 -6.62 -0.78 0.13 -1.86 -3.41 132.00 122.48 3ity h PRO 96 Ca 0.11 0.00 -0.69 0.00 -0.87 0.00 0.00 66.00 64.55 3ity h PRO 96 Cb 0.76 0.00 -0.25 0.00 0.13 0.00 0.00 31.00 31.64 3ity h PRO 96 CO 0.64 0.00 -0.84 -0.80 -0.23 0.00 0.00 178.00 176.77 3ity s ASN 97 N -5.39 3.46 -0.07 1.44 0.01 -1.26 -0.28 114.94 112.85 3ity s ASN 97 Ca -0.02 -0.47 0.02 0.00 -0.71 0.00 0.00 52.86 51.69 3ity s ASN 97 Cb 0.11 -0.47 -0.02 0.00 0.41 0.00 0.00 41.25 41.28 3ity s ASN 97 CO 0.47 0.28 -0.14 -0.69 -1.51 0.00 0.00 177.10 175.51 3ity s VAL 98 N -0.81 3.04 -0.21 1.60 1.01 -0.13 -1.49 120.40 123.42 3ity s VAL 98 Ca 0.12 -0.71 -0.12 0.00 0.00 0.00 0.00 61.98 61.27 3ity s VAL 98 Cb -0.10 -2.22 -0.05 0.00 0.00 0.00 0.00 36.38 34.02 3ity s VAL 98 CO 0.02 0.57 0.24 -0.44 0.00 0.00 0.00 175.10 175.50 3ity s SER 99 N -0.38 6.27 0.32 3.32 0.01 0.06 -0.61 113.70 122.69 3ity s SER 99 Ca 0.04 0.30 -0.02 0.00 1.31 0.00 0.00 55.95 57.58 3ity s SER 99 Cb -0.12 -2.15 -0.04 0.00 0.21 0.00 0.00 66.02 63.92 3ity s SER 99 CO 0.02 0.05 0.55 -0.76 0.41 0.00 0.00 173.24 173.51 3ity s LEU 100 N 0.92 4.03 -0.10 2.44 1.43 -1.25 -1.68 118.68 124.48 3ity s LEU 100 Ca 0.12 0.59 0.02 0.00 -1.03 0.00 0.00 54.13 53.83 3ity s LEU 100 Cb -0.13 -3.43 0.01 0.00 0.03 0.00 0.00 46.19 42.67 3ity s LEU 100 CO 0.04 -0.25 -0.15 -2.28 0.23 0.00 0.00 176.35 173.94 3ity s HIS 101 N -2.20 1.92 -0.08 0.29 2.46 -1.26 -1.16 115.29 115.27 3ity s HIS 101 Ca 0.42 -0.86 -0.00 0.00 0.47 0.00 0.00 55.06 55.09 3ity s HIS 101 Cb -0.10 -1.38 -0.03 0.00 -0.13 0.00 0.00 32.58 30.94 3ity s HIS 101 CO 0.33 -0.43 -0.05 0.42 -2.47 0.00 0.00 174.74 172.54 3ity s ILE 102 N 0.87 3.88 -2.12 0.89 -1.09 -0.49 0.08 121.20 123.22 3ity s ILE 102 Ca -0.09 -0.41 0.21 0.00 -2.23 0.00 0.00 60.65 58.13 3ity s ILE 102 Cb -0.15 -2.60 0.54 0.00 -1.58 0.00 0.00 42.46 38.66 3ity s ILE 102 CO 0.00 0.60 1.71 -0.81 -1.23 0.00 0.00 174.94 175.21 3ity n PRO 103 N 2.24 1.28 -0.26 2.79 -0.04 -1.26 -2.39 135.00 137.35 3ity n PRO 103 Ca -0.18 -0.41 0.02 0.00 -0.04 0.00 0.00 63.50 62.89 3ity n PRO 103 Cb 0.53 -1.35 0.15 0.00 -0.04 0.00 0.00 33.50 32.79 3ity n PRO 103 CO 0.00 0.00 0.00 -1.49 -0.04 0.00 0.00 175.50 173.97 3ity h TRP 104 N 0.86 0.66 -0.58 0.54 6.55 -1.91 -2.32 115.95 119.74 3ity h TRP 104 Ca 0.00 0.03 0.00 0.00 0.95 0.00 0.00 58.89 59.87 3ity h TRP 104 Cb 0.19 -0.19 0.00 0.00 -0.86 0.00 0.00 29.16 28.30 3ity h TRP 104 CO 0.03 0.23 0.00 -0.25 -1.05 0.00 0.00 178.44 177.40 3ity n ASP 105 N -4.86 4.07 -4.73 -3.49 8.00 0.11 -4.73 116.55 110.92 3ity n ASP 105 Ca 0.12 -2.32 -0.42 0.00 0.71 0.00 0.00 54.79 52.88 3ity n ASP 105 Cb 0.29 -0.52 -0.02 0.00 -0.02 0.00 0.00 41.12 40.85 3ity n ASP 105 CO 0.00 0.00 0.00 1.17 -0.39 0.00 0.00 177.20 177.98 3ity n LYS 106 N 1.03 2.72 -3.66 -1.24 4.81 -0.88 -4.92 118.16 116.02 3ity n LYS 106 Ca 0.22 0.97 -0.00 0.00 -0.87 0.00 0.00 58.31 58.63 3ity n LYS 106 Cb 0.75 -2.79 -0.01 0.00 0.02 0.00 0.00 35.03 33.00 3ity n LYS 106 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 3ity s ALA 107 N 0.57 -2.04 -0.07 3.14 0.00 -1.26 -5.01 121.76 117.09 3ity s ALA 107 Ca 0.70 0.55 -0.31 0.00 0.00 0.00 0.00 51.96 52.90 3ity s ALA 107 Cb -0.51 0.43 -0.09 0.00 0.00 0.00 0.00 23.12 22.95 3ity s ALA 107 CO 0.41 -1.03 2.01 -3.47 0.00 0.00 0.00 175.76 173.68 3ity n ASP 108 N -0.47 3.68 -0.33 0.00 2.03 -1.26 -4.83 116.55 115.37 3ity n ASP 108 Ca -0.07 0.75 0.19 0.00 0.52 0.00 0.00 54.79 56.18 3ity n ASP 108 Cb 0.62 -1.47 0.43 0.00 -0.72 0.00 0.00 41.12 39.97 3ity n ASP 108 CO 0.00 0.00 0.00 -0.65 -1.92 0.00 0.00 177.20 174.63 3ity h PRO 109 N 11.22 0.52 -0.69 -0.67 0.11 -1.96 0.67 132.00 141.20 3ity h PRO 109 Ca -0.47 -0.03 -0.04 0.00 0.11 0.00 0.00 66.00 65.57 3ity h PRO 109 Cb 1.25 -0.12 -0.03 0.00 0.11 0.00 0.00 31.00 32.22 3ity h PRO 109 CO 0.95 0.34 0.28 0.87 -0.21 0.00 0.00 178.00 180.23 3ity h LYS 110 N 0.53 1.03 -0.33 1.05 1.57 -1.88 -0.86 116.57 117.69 3ity h LYS 110 Ca 0.60 -0.19 -0.14 0.00 -1.87 0.00 0.00 60.65 59.06 3ity h LYS 110 Cb 1.27 -0.17 -0.01 0.00 0.08 0.00 0.00 32.23 33.40 3ity h LYS 110 CO -0.37 0.85 -0.34 0.93 -0.57 0.00 0.00 179.45 179.95 3ity h GLU 111 N 0.98 0.74 -0.29 3.15 5.08 -1.28 -0.85 114.58 122.10 3ity h GLU 111 Ca 0.23 -0.36 -0.01 0.00 -1.00 0.00 0.00 59.36 58.22 3ity h GLU 111 Cb 0.20 -0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.44 3ity h GLU 111 CO -0.02 0.97 0.13 -0.07 -1.00 0.00 0.00 179.01 179.02 3ity h LEU 112 N 0.62 0.40 -0.67 1.33 3.38 -0.98 -1.01 115.31 118.39 3ity h LEU 112 Ca 0.06 -0.15 -0.06 0.00 0.09 0.00 0.00 57.88 57.82 3ity h LEU 112 Cb 0.88 -0.10 -0.03 0.00 0.09 0.00 0.00 40.66 41.50 3ity h LEU 112 CO 0.08 0.44 0.19 0.50 0.09 0.00 0.00 178.44 179.74 3ity h LYS 113 N 0.33 1.05 -0.53 1.13 1.63 -1.07 -0.37 116.57 118.73 3ity h LYS 113 Ca 0.10 -0.23 -0.04 0.00 -0.85 0.00 0.00 60.65 59.63 3ity h LYS 113 Cb 0.16 -0.15 -0.02 0.00 -0.60 0.00 0.00 32.23 31.62 3ity h LYS 113 CO -0.01 0.92 0.18 0.00 -3.45 0.00 0.00 179.45 177.09 3ity h ALA 114 N 1.08 0.69 -0.44 5.00 0.00 -0.96 0.51 119.26 125.15 3ity h ALA 114 Ca 0.21 -0.18 -0.08 0.00 0.00 0.00 0.00 54.91 54.86 3ity h ALA 114 Cb 0.32 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.89 3ity h ALA 114 CO -0.00 0.34 -0.04 -0.09 0.00 0.00 0.00 179.25 179.45 3ity h ARG 115 N 0.73 0.80 0.15 0.00 9.65 -1.01 -0.98 114.38 123.72 3ity h ARG 115 Ca 0.17 -0.27 0.00 0.00 -1.10 0.00 0.00 59.98 58.78 3ity h ARG 115 Cb 0.25 -0.06 -0.01 0.00 -1.39 0.00 0.00 29.97 28.75 3ity h ARG 115 CO -0.01 0.88 -0.16 0.78 2.80 0.00 0.00 179.97 184.27 3ity h GLY 116 N 0.63 -0.33 0.71 2.80 0.00 -0.80 -1.16 103.07 104.93 3ity h GLY 116 Ca 0.12 0.18 0.07 0.00 0.00 0.00 0.00 47.33 47.70 3ity h GLY 116 CO 0.03 -0.16 0.65 -0.55 0.00 0.00 0.00 176.54 176.51 3ity h ASP 117 N -0.34 1.03 -0.28 0.19 3.32 -0.79 0.20 116.42 119.75 3ity h ASP 117 Ca 0.01 0.01 -0.06 0.00 0.02 0.00 0.00 57.03 57.01 3ity h ASP 117 Cb 0.33 -0.21 -0.02 0.00 0.22 0.00 0.00 39.33 39.65 3ity h ASP 117 CO -0.05 0.65 0.00 0.00 -1.72 0.00 0.00 179.24 178.13 3ity h ALA 118 N 1.46 1.29 0.00 3.45 0.00 -0.71 -2.82 119.26 121.93 3ity h ALA 118 Ca 0.44 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 55.13 3ity h ALA 118 Cb 0.20 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 17.82 3ity h ALA 118 CO -0.18 0.48 -0.47 1.28 0.00 0.00 0.00 179.25 180.36 3ity n LEU 119 N -4.26 0.47 -0.09 0.00 4.77 -0.48 -4.95 117.00 112.47 3ity n LEU 119 Ca 0.02 0.06 0.00 0.00 -0.03 0.00 0.00 56.01 56.06 3ity n LEU 119 Cb 0.26 -0.27 0.00 0.00 -2.33 0.00 0.00 43.42 41.09 3ity n LEU 119 CO 0.40 0.10 0.00 0.61 -1.33 0.00 0.00 177.39 177.17 3ity n GLY 120 N 1.49 0.65 3.40 -0.72 0.00 -0.17 -4.94 105.19 104.89 3ity n GLY 120 Ca 0.05 -0.74 -0.30 0.00 0.00 0.00 0.00 46.02 45.03 3ity n GLY 120 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3ity s LEU 121 N -0.17 2.36 0.00 0.99 1.43 -0.12 -4.92 118.68 118.24 3ity s LEU 121 Ca 0.00 -0.61 0.04 0.00 -1.03 0.00 0.00 54.13 52.53 3ity s LEU 121 Cb 0.00 -1.34 0.04 0.00 0.03 0.00 0.00 46.19 44.92 3ity s LEU 121 CO 0.00 0.22 0.31 0.61 0.23 0.00 0.00 176.35 177.73 3ity n GLY 122 N 1.34 2.92 3.18 -3.19 0.00 0.62 -3.91 105.19 106.16 3ity n GLY 122 Ca -0.17 -2.31 -0.31 0.00 0.00 0.00 0.00 46.02 43.24 3ity n GLY 122 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3ity s PHE 123 N -2.64 2.34 0.00 1.61 0.08 -1.26 -0.95 117.98 117.16 3ity s PHE 123 Ca 0.24 -0.94 0.00 0.00 0.12 0.00 0.00 56.93 56.35 3ity s PHE 123 Cb -0.02 -1.58 0.00 0.00 -0.57 0.00 0.00 43.02 40.85 3ity s PHE 123 CO 0.15 -0.39 0.00 -3.47 -0.10 0.00 0.00 175.22 171.42 3ity n ASP 124 N 3.56 0.00 -4.70 1.36 2.03 0.23 -4.11 116.55 114.91 3ity n ASP 124 Ca -0.20 0.00 -0.43 0.00 0.52 0.00 0.00 54.79 54.68 3ity n ASP 124 Cb 0.53 0.00 -0.01 0.00 -0.72 0.00 0.00 41.12 40.91 3ity n ASP 124 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 3ity n ALA 125 N -3.00 1.40 -1.78 -1.67 0.00 -1.26 -4.55 120.51 109.65 3ity n ALA 125 Ca 0.00 0.38 -0.32 0.00 0.00 0.00 0.00 53.44 53.49 3ity n ALA 125 Cb 0.00 -2.29 -0.02 0.00 0.00 0.00 0.00 19.45 17.15 3ity n ALA 125 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 177.50 175.86 3ity s MET 126 N -1.28 3.72 -0.09 0.00 -1.94 -0.08 -3.74 119.30 115.88 3ity s MET 126 Ca 0.60 1.06 0.01 0.00 -1.71 0.00 0.00 55.69 55.65 3ity s MET 126 Cb -0.58 -2.10 0.02 0.00 2.01 0.00 0.00 34.83 34.18 3ity s MET 126 CO 0.57 -0.47 -0.11 -0.80 -0.01 0.00 0.00 175.02 174.21 3ity s ASN 127 N -2.93 2.05 0.46 3.03 0.01 -0.31 -0.21 114.94 117.05 3ity s ASN 127 Ca 0.61 -0.32 -0.06 0.00 -0.71 0.00 0.00 52.86 52.38 3ity s ASN 127 Cb -0.12 -0.87 -0.04 0.00 0.41 0.00 0.00 41.25 40.62 3ity s ASN 127 CO 0.33 -0.04 0.77 -0.94 -1.51 0.00 0.00 177.10 175.71 3ity s SER 128 N 1.19 6.30 -0.34 -1.22 1.04 -1.11 -1.40 113.70 118.16 3ity s SER 128 Ca -0.04 0.93 -0.00 0.00 0.48 0.00 0.00 55.95 57.31 3ity s SER 128 Cb -0.14 -2.25 0.11 0.00 0.10 0.00 0.00 66.02 63.84 3ity s SER 128 CO -0.03 -0.54 0.13 0.21 0.98 0.00 0.00 173.24 174.00 3ity s ASN 129 N -3.96 3.93 -0.17 7.02 3.84 -1.01 -4.68 114.94 119.91 3ity s ASN 129 Ca 0.47 -1.87 0.15 0.00 0.21 0.00 0.00 52.86 51.83 3ity s ASN 129 Cb -0.10 -0.90 0.43 0.00 -0.55 0.00 0.00 41.25 40.13 3ity s ASN 129 CO 0.43 -0.38 1.20 0.35 -2.79 0.00 0.00 177.10 175.90 3ity n THR 130 N 4.54 1.61 -0.12 -5.21 -2.24 -1.26 -4.62 114.28 106.99 3ity n THR 130 Ca 0.01 -2.77 0.05 0.00 -2.27 0.00 0.00 64.05 59.07 3ity n THR 130 Cb 0.40 0.07 0.13 0.00 -2.10 0.00 0.00 70.33 68.83 3ity n THR 130 CO 0.00 0.00 0.00 2.22 -0.57 0.00 0.00 175.07 176.72 3ity n PHE 131 N -0.61 0.38 -3.59 4.78 1.16 -1.26 -4.61 117.46 113.71 3ity n PHE 131 Ca 0.18 -0.46 -0.13 0.00 -1.87 0.00 0.00 57.45 55.17 3ity n PHE 131 Cb 0.85 -0.03 -0.05 0.00 -1.61 0.00 0.00 39.48 38.65 3ity n PHE 131 CO 0.00 0.00 0.00 -1.54 -1.87 0.00 0.00 176.76 173.35 3ity s SER 132 N -0.99 -0.37 -0.12 5.98 1.04 -1.26 -4.93 113.70 113.05 3ity s SER 132 Ca 0.20 0.00 -0.13 0.00 0.48 0.00 0.00 55.95 56.51 3ity s SER 132 Cb 0.10 0.49 -0.05 0.00 0.10 0.00 0.00 66.02 66.66 3ity s SER 132 CO 0.14 -0.77 0.28 -1.81 0.98 0.00 0.00 173.24 172.06 3ity s ASP 133 N -2.26 6.50 0.26 7.02 1.01 -1.26 -4.86 116.67 123.07 3ity s ASP 133 Ca -0.03 0.58 0.06 0.00 0.71 0.00 0.00 52.55 53.87 3ity s ASP 133 Cb -0.00 -2.17 -0.03 0.00 1.01 0.00 0.00 42.92 41.73 3ity s ASP 133 CO -0.06 0.21 0.34 0.00 0.21 0.00 0.00 175.17 175.88 3ity s ALA 134 N -0.15 3.91 0.51 5.23 0.00 -1.26 -5.07 121.76 124.92 3ity s ALA 134 Ca 0.17 -1.30 -0.23 0.00 0.00 0.00 0.00 51.96 50.60 3ity s ALA 134 Cb -0.13 -1.63 -0.06 0.00 0.00 0.00 0.00 23.12 21.29 3ity s ALA 134 CO 0.06 0.20 1.41 -2.30 0.00 0.00 0.00 175.76 175.12 3ity n PRO 135 N -1.40 1.96 -1.04 0.00 -0.02 -1.26 -3.02 135.00 130.23 3ity n PRO 135 Ca -0.07 0.71 -0.01 0.00 -2.02 0.00 0.00 63.50 62.10 3ity n PRO 135 Cb 0.57 -2.62 -0.01 0.00 -0.02 0.00 0.00 33.50 31.43 3ity n PRO 135 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3ity n GLY 136 N 0.66 0.43 3.70 -1.23 0.00 -1.26 -4.98 105.19 102.50 3ity n GLY 136 Ca 0.08 -0.12 -0.42 0.00 0.00 0.00 0.00 46.02 45.56 3ity n GLY 136 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 3ity s GLN 137 N -1.04 4.32 0.29 1.61 0.74 -1.17 -4.92 119.66 119.49 3ity s GLN 137 Ca 0.00 1.94 0.04 0.00 0.05 0.00 0.00 55.36 57.39 3ity s GLN 137 Cb 0.00 -3.46 0.45 0.00 1.10 0.00 0.00 33.01 31.10 3ity s GLN 137 CO 0.00 -0.48 1.73 0.00 -0.55 0.00 0.00 175.29 175.99 3ity h ALA 138 N 7.40 1.14 -3.98 1.58 0.00 -1.93 -3.43 119.26 120.03 3ity h ALA 138 Ca -0.39 -0.34 -0.49 0.00 0.00 0.00 0.00 54.91 53.68 3ity h ALA 138 Cb 1.19 -0.11 -0.30 0.00 0.00 0.00 0.00 17.79 18.56 3ity h ALA 138 CO 0.88 0.55 -0.81 -1.01 0.00 0.00 0.00 179.25 178.85 3ity s HIS 139 N -4.45 1.29 0.39 0.00 3.76 -1.26 -5.12 115.29 109.90 3ity s HIS 139 Ca -0.06 -0.31 -0.18 0.00 -0.15 0.00 0.00 55.06 54.35 3ity s HIS 139 Cb 0.14 -0.87 -0.10 0.00 1.11 0.00 0.00 32.58 32.86 3ity s HIS 139 CO 0.78 -0.09 0.86 0.45 -0.85 0.00 0.00 174.74 175.89 3ity s SER 140 N -0.04 6.85 -0.21 1.40 0.15 -1.26 -4.97 113.70 115.62 3ity s SER 140 Ca -0.00 1.50 0.13 0.00 0.70 0.00 0.00 55.95 58.28 3ity s SER 140 Cb -0.08 -2.46 0.76 0.00 -1.71 0.00 0.00 66.02 62.52 3ity s SER 140 CO 0.01 -0.30 1.66 -1.22 1.20 0.00 0.00 173.24 174.58 3ity n TYR 141 N -0.57 1.89 -0.26 3.44 4.01 -1.26 -4.54 117.16 119.85 3ity n TYR 141 Ca 0.05 -0.66 0.04 0.00 -0.16 0.00 0.00 57.90 57.17 3ity n TYR 141 Cb 0.54 -0.46 0.18 0.00 -0.31 0.00 0.00 39.34 39.28 3ity n TYR 141 CO 0.00 0.00 0.00 -0.22 -0.46 0.00 0.00 176.86 176.18 3ity h LYS 142 N 3.75 0.56 -0.46 -0.72 3.64 -1.95 -2.09 116.57 119.30 3ity h LYS 142 Ca 0.00 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.35 3ity h LYS 142 Cb 1.83 -0.13 0.00 0.00 -0.41 0.00 0.00 32.23 33.52 3ity h LYS 142 CO 0.43 0.37 0.00 0.66 -2.27 0.00 0.00 179.45 178.65 3ity n TYR 143 N -4.89 1.51 0.00 1.91 4.01 -1.26 -5.05 117.16 113.38 3ity n TYR 143 Ca 0.14 -0.75 0.00 0.00 -0.16 0.00 0.00 57.90 57.12 3ity n TYR 143 Cb 0.35 -0.38 0.00 0.00 -0.31 0.00 0.00 39.34 39.00 3ity n TYR 143 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3ity n GLY 144 N 0.29 1.97 0.00 2.72 0.00 -0.79 -4.68 105.19 104.70 3ity n GLY 144 Ca 0.24 -2.05 0.00 0.00 0.00 0.00 0.00 46.02 44.21 3ity n GLY 144 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3ity n SER 145 N 0.00 0.00 0.31 1.61 3.41 -1.26 -4.29 113.62 113.40 3ity n SER 145 Ca 0.00 0.00 0.20 0.00 -0.26 0.00 0.00 58.87 58.81 3ity n SER 145 Cb 0.00 0.00 0.98 0.00 -0.26 0.00 0.00 64.21 64.93 3ity n SER 145 CO 0.00 0.00 0.00 -0.07 -0.16 0.00 0.00 175.04 174.81 3ity h LEU 146 N 0.00 0.00 -2.98 1.04 3.38 -1.87 -2.52 115.31 112.36 3ity h LEU 146 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3ity h LEU 146 Cb 0.00 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.75 3ity h LEU 146 CO 0.00 0.00 0.00 -1.54 0.09 0.00 0.00 178.44 176.99 3ity n SER 147 N -3.10 2.53 -4.74 -0.43 3.41 -1.26 -3.70 113.62 106.33 3ity n SER 147 Ca -0.01 -2.21 -0.39 0.00 -0.26 0.00 0.00 58.87 56.00 3ity n SER 147 Cb 0.18 -0.17 0.03 0.00 -0.26 0.00 0.00 64.21 63.99 3ity n SER 147 CO 0.00 0.00 0.00 1.57 -0.16 0.00 0.00 175.04 176.45 3ity n HIS 148 N -0.25 2.36 0.24 7.33 -0.00 -0.95 -4.77 115.22 119.17 3ity n HIS 148 Ca 0.08 0.44 0.07 0.00 -0.00 0.00 0.00 57.72 58.31 3ity n HIS 148 Cb 0.41 -2.39 0.58 0.00 -0.00 0.00 0.00 29.99 28.59 3ity n HIS 148 CO 0.00 0.00 0.00 1.79 -0.00 0.00 0.00 176.34 178.13 3ity h THR 149 N 1.74 1.01 -3.38 3.57 1.35 -1.91 -3.42 112.91 111.87 3ity h THR 149 Ca -0.50 -0.49 -0.58 0.00 -0.55 0.00 0.00 66.41 64.28 3ity h THR 149 Cb 1.29 1.27 -0.08 0.00 -1.73 0.00 0.00 68.15 68.91 3ity h THR 149 CO 0.58 0.14 0.69 0.21 -0.25 0.00 0.00 175.52 176.88 3ity s ASN 150 N -6.86 6.81 0.23 5.36 2.47 -1.26 -4.95 114.94 116.74 3ity s ASN 150 Ca -0.04 0.85 -0.07 0.00 0.42 0.00 0.00 52.86 54.02 3ity s ASN 150 Cb 0.16 -2.49 0.39 0.00 -1.45 0.00 0.00 41.25 37.85 3ity s ASN 150 CO 0.67 -0.82 1.71 0.00 -3.72 0.00 0.00 177.10 174.95 3ity h ALA 151 N 8.20 0.89 -0.39 1.71 0.00 -1.99 -0.83 119.26 126.85 3ity h ALA 151 Ca -0.22 0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.82 3ity h ALA 151 Cb 1.07 0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.99 3ity h ALA 151 CO 0.99 -0.27 0.26 0.00 0.00 0.00 0.00 179.25 180.22 3ity h ALA 152 N 1.53 1.73 -0.33 0.00 0.00 -1.96 -0.92 119.26 119.32 3ity h ALA 152 Ca 0.37 -0.03 -0.16 0.00 0.00 0.00 0.00 54.91 55.10 3ity h ALA 152 Cb 0.57 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.20 3ity h ALA 152 CO -0.42 0.25 -0.42 1.15 0.00 0.00 0.00 179.25 179.81 3ity h THR 153 N 0.52 1.28 -0.45 0.00 2.02 -1.52 -1.78 112.91 112.98 3ity h THR 153 Ca 0.14 -1.60 -0.12 0.00 0.77 0.00 0.00 66.41 65.60 3ity h THR 153 Cb -0.06 1.48 -0.01 0.00 -1.74 0.00 0.00 68.15 67.82 3ity h THR 153 CO -0.03 0.52 -0.17 0.03 0.37 0.00 0.00 175.52 176.24 3ity h ARG 154 N 0.66 0.91 -0.82 6.66 3.08 -0.95 -2.00 114.38 121.92 3ity h ARG 154 Ca 0.05 -0.38 -0.01 0.00 0.07 0.00 0.00 59.98 59.71 3ity h ARG 154 Cb 0.99 -0.04 -0.04 0.00 0.08 0.00 0.00 29.97 30.97 3ity h ARG 154 CO 0.10 1.03 0.47 0.00 -1.07 0.00 0.00 179.97 180.50 3ity h ALA 155 N 0.85 1.28 -0.60 0.04 0.00 -1.09 0.72 119.26 120.46 3ity h ALA 155 Ca 0.11 -0.11 -0.06 0.00 0.00 0.00 0.00 54.91 54.84 3ity h ALA 155 Cb 0.73 -0.33 -0.02 0.00 0.00 0.00 0.00 17.79 18.17 3ity h ALA 155 CO 0.06 0.60 0.13 0.37 0.00 0.00 0.00 179.25 180.40 3ity h GLN 156 N 1.14 0.97 -0.46 0.00 4.15 -1.10 -1.01 115.11 118.80 3ity h GLN 156 Ca 0.29 -0.24 -0.10 0.00 0.77 0.00 0.00 58.65 59.37 3ity h GLN 156 Cb -0.01 -0.12 -0.02 0.00 0.21 0.00 0.00 27.48 27.54 3ity h GLN 156 CO -0.05 0.90 -0.13 0.00 -1.93 0.00 0.00 178.83 177.62 3ity h ALA 157 N 1.03 0.90 -0.24 3.38 0.00 -0.68 -1.97 119.26 121.68 3ity h ALA 157 Ca 0.18 -0.34 -0.01 0.00 0.00 0.00 0.00 54.91 54.75 3ity h ALA 157 Cb 0.38 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.98 3ity h ALA 157 CO 0.01 0.63 0.10 0.28 0.00 0.00 0.00 179.25 180.27 3ity h VAL 158 N 0.77 1.16 -0.58 0.00 2.07 -0.57 -2.18 116.25 116.92 3ity h VAL 158 Ca 0.12 -0.47 -0.01 0.00 0.82 0.00 0.00 66.70 67.16 3ity h VAL 158 Cb 0.64 1.03 -0.03 0.00 -1.52 0.00 0.00 31.29 31.42 3ity h VAL 158 CO 0.04 0.16 0.33 -0.08 0.02 0.00 0.00 177.57 178.05 3ity h GLU 159 N 0.24 0.78 -0.43 1.57 4.57 -1.02 -1.00 114.58 119.29 3ity h GLU 159 Ca 0.08 -0.07 -0.02 0.00 -1.18 0.00 0.00 59.36 58.17 3ity h GLU 159 Cb 0.16 -0.16 -0.02 0.00 -0.16 0.00 0.00 28.75 28.56 3ity h GLU 159 CO -0.01 0.56 0.20 1.25 -1.18 0.00 0.00 179.01 179.83 3ity h HIS 160 N 0.80 0.63 -0.49 0.92 2.76 -1.04 -1.23 115.15 117.49 3ity h HIS 160 Ca 0.21 -0.04 -0.06 0.00 -2.20 0.00 0.00 60.37 58.29 3ity h HIS 160 Cb -0.01 -0.19 -0.02 0.00 1.55 0.00 0.00 27.41 28.74 3ity h HIS 160 CO 0.00 0.52 0.08 -0.91 -1.30 0.00 0.00 177.93 176.32 3ity h ASN 161 N 0.55 0.72 -0.13 3.26 2.35 -0.74 -2.01 115.58 119.58 3ity h ASN 161 Ca 0.15 -0.14 -0.07 0.00 -0.55 0.00 0.00 56.30 55.68 3ity h ASN 161 Cb 0.14 -0.19 -0.02 0.00 0.05 0.00 0.00 38.32 38.30 3ity h ASN 161 CO -0.02 0.74 -0.13 -0.07 -1.65 0.00 0.00 177.43 176.30 3ity h LEU 162 N 0.74 0.48 -0.90 1.61 3.38 -0.83 -1.96 115.31 117.84 3ity h LEU 162 Ca 0.16 -0.13 -0.09 0.00 0.09 0.00 0.00 57.88 57.91 3ity h LEU 162 Cb 0.34 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 40.94 3ity h LEU 162 CO 0.01 0.65 -0.17 -0.08 0.09 0.00 0.00 178.44 178.93 3ity h GLU 163 N 0.46 0.63 -0.70 1.13 4.81 -0.60 -1.82 114.58 118.49 3ity h GLU 163 Ca 0.08 -0.21 -0.04 0.00 -0.13 0.00 0.00 59.36 59.06 3ity h GLU 163 Cb 0.51 -0.05 -0.03 0.00 0.63 0.00 0.00 28.75 29.81 3ity h GLU 163 CO 0.03 0.76 0.27 0.00 -0.73 0.00 0.00 179.01 179.35 3ity h ILE 165 N 1.01 1.27 -0.46 0.00 2.04 -0.94 -0.56 117.51 119.87 3ity h ILE 165 Ca 0.23 -1.13 -0.02 0.00 1.00 0.00 0.00 64.86 64.94 3ity h ILE 165 Cb 0.20 0.94 -0.02 0.00 -0.74 0.00 0.00 36.82 37.20 3ity h ILE 165 CO -0.02 0.40 0.21 -0.33 0.00 0.00 0.00 178.15 178.41 3ity h GLU 166 N 0.82 0.67 -0.57 2.37 4.39 -0.92 0.24 114.58 121.58 3ity h GLU 166 Ca 0.15 -0.11 -0.02 0.00 0.34 0.00 0.00 59.36 59.72 3ity h GLU 166 Cb 0.56 -0.12 -0.03 0.00 -0.10 0.00 0.00 28.75 29.07 3ity h GLU 166 CO 0.03 0.58 0.26 0.82 -1.16 0.00 0.00 179.01 179.54 3ity h ILE 167 N 0.60 1.21 -0.80 3.13 2.04 -1.13 -2.79 117.51 119.78 3ity h ILE 167 Ca 0.16 -0.62 -0.02 0.00 1.00 0.00 0.00 64.86 65.38 3ity h ILE 167 Cb 0.14 0.57 -0.04 0.00 -0.74 0.00 0.00 36.82 36.75 3ity h ILE 167 CO -0.02 0.25 0.41 1.23 0.00 0.00 0.00 178.15 180.02 3ity h GLY 168 N 0.78 1.21 1.78 5.37 0.00 -0.69 -2.44 103.07 109.08 3ity h GLY 168 Ca 0.19 -0.57 -0.02 0.00 0.00 0.00 0.00 47.33 46.93 3ity h GLY 168 CO -0.02 0.55 0.02 0.50 0.00 0.00 0.00 176.54 177.59 3ity h LYS 169 N 1.12 0.28 0.00 4.80 1.57 -0.75 0.11 116.57 123.70 3ity h LYS 169 Ca 0.28 -0.04 -0.05 0.00 -1.87 0.00 0.00 60.65 58.97 3ity h LYS 169 Cb 0.07 -0.05 -0.01 0.00 0.08 0.00 0.00 32.23 32.32 3ity h LYS 169 CO -0.04 0.29 -0.22 0.00 -0.57 0.00 0.00 179.45 178.91 3ity h ALA 170 N 1.75 0.89 -0.02 3.86 0.00 -1.18 -3.32 119.26 121.24 3ity h ALA 170 Ca 0.07 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.78 3ity h ALA 170 Cb 0.16 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.92 3ity h ALA 170 CO 0.00 0.27 -0.03 0.44 0.00 0.00 0.00 179.25 179.94 3ity n ILE 171 N -3.20 0.00 0.00 0.00 -5.35 -0.95 -4.84 119.36 105.02 3ity n ILE 171 Ca 0.02 -0.49 0.00 0.00 -0.27 0.00 0.00 62.75 62.02 3ity n ILE 171 Cb 0.56 1.27 0.00 0.00 -1.74 0.00 0.00 39.64 39.73 3ity n ILE 171 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3ity n GLY 172 N 0.80 0.72 3.76 3.28 0.00 -0.75 -4.57 105.19 108.42 3ity n GLY 172 Ca 0.08 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.78 3ity n GLY 172 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3ity s SER 173 N -2.36 4.52 -0.03 1.61 0.15 -0.05 -4.83 113.70 112.71 3ity s SER 173 Ca 0.00 1.91 0.04 0.00 0.70 0.00 0.00 55.95 58.60 3ity s SER 173 Cb 0.00 -2.53 0.06 0.00 -1.71 0.00 0.00 66.02 61.84 3ity s SER 173 CO 0.00 -2.03 1.01 0.29 1.20 0.00 0.00 173.24 173.72 3ity n LYS 174 N -3.29 0.30 -3.49 5.44 4.76 -1.26 -4.51 118.16 116.11 3ity n LYS 174 Ca 0.10 -1.33 -0.11 0.00 -2.87 0.00 0.00 58.31 54.11 3ity n LYS 174 Cb 0.53 -0.72 -0.03 0.00 -1.84 0.00 0.00 35.03 32.97 3ity n LYS 174 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 3ity s ALA 175 N -0.63 -1.78 -0.12 7.82 0.00 -1.26 -2.09 121.76 123.71 3ity s ALA 175 Ca 0.07 0.99 0.02 0.00 0.00 0.00 0.00 51.96 53.03 3ity s ALA 175 Cb 0.06 0.35 0.02 0.00 0.00 0.00 0.00 23.12 23.54 3ity s ALA 175 CO 0.01 -0.63 -0.16 -1.17 0.00 0.00 0.00 175.76 173.81 3ity s LEU 176 N -2.24 1.77 -0.19 0.00 2.96 -0.62 -0.90 118.68 119.45 3ity s LEU 176 Ca 0.02 -0.46 -0.09 0.00 -0.22 0.00 0.00 54.13 53.37 3ity s LEU 176 Cb -0.01 -1.16 -0.05 0.00 0.50 0.00 0.00 46.19 45.48 3ity s LEU 176 CO -0.07 0.01 0.10 -0.89 -1.32 0.00 0.00 176.35 174.18 3ity s THR 177 N 1.07 5.16 -0.29 3.68 2.01 0.71 -0.65 115.64 127.33 3ity s THR 177 Ca -0.04 0.10 0.03 0.00 0.31 0.00 0.00 61.69 62.08 3ity s THR 177 Cb -0.15 -3.34 0.07 0.00 0.01 0.00 0.00 72.50 69.09 3ity s THR 177 CO -0.04 0.45 -0.05 -0.69 -0.69 0.00 0.00 174.62 173.60 3ity s VAL 178 N 0.35 2.30 -0.11 3.82 1.01 0.98 -2.73 120.40 126.02 3ity s VAL 178 Ca 0.06 -1.81 0.03 0.00 0.00 0.00 0.00 61.98 60.26 3ity s VAL 178 Cb -0.12 -2.45 0.01 0.00 0.00 0.00 0.00 36.38 33.82 3ity s VAL 178 CO -0.01 -0.20 -0.20 0.86 0.00 0.00 0.00 175.10 175.55 3ity s TRP 179 N 1.06 2.34 0.19 5.22 -0.00 -1.26 -2.18 118.94 124.32 3ity s TRP 179 Ca -0.03 -1.06 0.06 0.00 -0.00 0.00 0.00 56.10 55.07 3ity s TRP 179 Cb -0.20 -1.61 -0.05 0.00 -0.00 0.00 0.00 33.47 31.62 3ity s TRP 179 CO -0.05 -0.48 -0.11 0.96 -0.00 0.00 0.00 176.95 177.27 3ity s ILE 180 N 0.67 1.44 -1.98 5.86 -4.36 -1.26 -4.70 121.20 116.87 3ity s ILE 180 Ca -0.12 -2.13 0.26 0.00 -0.26 0.00 0.00 60.65 58.40 3ity s ILE 180 Cb -0.16 -2.02 0.24 0.00 1.25 0.00 0.00 42.46 41.76 3ity s ILE 180 CO 0.03 -0.61 1.47 0.61 0.24 0.00 0.00 174.94 176.67 3ity n GLY 181 N -0.33 -0.30 3.15 6.27 0.00 -1.26 -4.96 105.19 107.76 3ity n GLY 181 Ca -0.08 -0.48 -0.54 0.00 0.00 0.00 0.00 46.02 44.92 3ity n GLY 181 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3ity n ASP 182 N -0.30 0.14 0.00 1.61 9.92 -1.26 -4.09 116.55 122.57 3ity n ASP 182 Ca 0.13 1.04 0.00 0.00 -0.53 0.00 0.00 54.79 55.42 3ity n ASP 182 Cb 0.39 -0.82 0.00 0.00 -0.64 0.00 0.00 41.12 40.05 3ity n ASP 182 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 3ity n GLY 183 N 1.63 -0.53 3.13 0.44 0.00 -1.26 -1.71 105.19 106.89 3ity n GLY 183 Ca 0.19 -0.87 -0.09 0.00 0.00 0.00 0.00 46.02 45.25 3ity n GLY 183 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3ity s SER 184 N -4.00 0.85 0.00 1.61 1.04 0.77 -4.89 113.70 109.08 3ity s SER 184 Ca 0.00 -0.97 0.10 0.00 0.48 0.00 0.00 55.95 55.56 3ity s SER 184 Cb 0.00 0.13 -0.07 0.00 0.10 0.00 0.00 66.02 66.19 3ity s SER 184 CO 0.00 -0.50 0.51 0.59 0.98 0.00 0.00 173.24 174.82 3ity n ASN 185 N 0.12 0.76 -3.99 7.02 4.13 -1.26 -1.33 115.26 120.71 3ity n ASN 185 Ca -0.14 -0.88 -0.16 0.00 1.68 0.00 0.00 54.58 55.08 3ity n ASN 185 Cb 0.60 0.80 -0.14 0.00 -1.54 0.00 0.00 39.78 39.51 3ity n ASN 185 CO 0.00 0.00 0.00 -0.36 0.28 0.00 0.00 177.26 177.18 3ity s PHE 186 N -1.75 0.56 0.40 3.10 0.08 -1.26 -4.38 117.98 114.73 3ity s PHE 186 Ca 0.06 -0.17 -0.27 0.00 0.12 0.00 0.00 56.93 56.66 3ity s PHE 186 Cb 0.08 -0.35 -0.10 0.00 -0.57 0.00 0.00 43.02 42.07 3ity s PHE 186 CO 0.36 -0.02 1.47 -2.14 -0.10 0.00 0.00 175.22 174.78 3ity s PRO 187 N -0.41 3.97 0.00 0.24 0.02 -1.26 -1.81 135.00 135.76 3ity s PRO 187 Ca 0.00 2.53 0.00 0.00 0.02 0.00 0.00 61.00 63.55 3ity s PRO 187 Cb -0.04 -2.87 0.00 0.00 0.02 0.00 0.00 34.50 31.62 3ity s PRO 187 CO -0.00 -0.63 0.00 0.41 -0.33 0.00 0.00 177.00 176.45 3ity n GLY 188 N 0.50 2.95 0.29 0.52 0.00 -1.26 -4.87 105.19 103.33 3ity n GLY 188 Ca 0.02 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.09 3ity n GLY 188 CO 0.00 0.00 0.00 -1.61 0.00 0.00 0.00 173.32 171.71 3ity h GLN 189 N 0.95 0.63 -6.62 1.61 4.15 -1.79 -3.42 115.11 110.61 3ity h GLN 189 Ca 0.00 -0.04 -0.65 0.00 0.77 0.00 0.00 58.65 58.73 3ity h GLN 189 Cb 0.00 -0.14 -0.20 0.00 0.21 0.00 0.00 27.48 27.35 3ity h GLN 189 CO 0.00 0.41 -0.84 -1.12 -1.93 0.00 0.00 178.83 175.36 3ity s SER 190 N -5.48 3.24 -0.45 -0.69 0.01 -1.26 -5.08 113.70 103.98 3ity s SER 190 Ca -0.12 -0.81 -0.19 0.00 1.31 0.00 0.00 55.95 56.14 3ity s SER 190 Cb 0.20 -0.22 0.03 0.00 0.21 0.00 0.00 66.02 66.24 3ity s SER 190 CO 0.77 0.12 0.56 0.21 0.41 0.00 0.00 173.24 175.32 3ity s ASN 191 N -2.38 6.25 0.22 2.44 3.84 -1.26 -4.95 114.94 119.10 3ity s ASN 191 Ca 0.17 -0.62 -0.13 0.00 0.21 0.00 0.00 52.86 52.48 3ity s ASN 191 Cb -0.09 -2.28 0.27 0.00 -0.55 0.00 0.00 41.25 38.60 3ity s ASN 191 CO 0.08 -0.74 1.61 -0.26 -2.79 0.00 0.00 177.10 174.99 3ity h PHE 192 N 8.86 -0.45 -0.16 0.43 0.04 -1.98 -0.53 116.94 123.15 3ity h PHE 192 Ca -0.26 0.07 -0.05 0.00 2.80 0.00 0.00 57.97 60.52 3ity h PHE 192 Cb 1.10 0.31 -0.00 0.00 2.20 0.00 0.00 35.95 39.55 3ity h PHE 192 CO 0.69 -0.32 -0.09 1.15 -0.60 0.00 0.00 178.31 179.15 3ity h THR 193 N -0.02 1.32 -0.54 -1.55 2.02 -1.99 -2.41 112.91 109.74 3ity h THR 193 Ca 0.33 -1.16 -0.08 0.00 0.77 0.00 0.00 66.41 66.27 3ity h THR 193 Cb 0.53 1.75 -0.02 0.00 -1.74 0.00 0.00 68.15 68.66 3ity h THR 193 CO -0.73 0.34 0.02 0.03 0.37 0.00 0.00 175.52 175.55 3ity h ARG 194 N 0.00 0.90 -0.63 6.66 3.08 -1.90 -0.38 114.38 122.11 3ity h ARG 194 Ca 0.03 -0.25 -0.02 0.00 0.07 0.00 0.00 59.98 59.81 3ity h ARG 194 Cb 0.58 -0.10 -0.03 0.00 0.08 0.00 0.00 29.97 30.50 3ity h ARG 194 CO 0.03 0.88 0.30 0.00 -1.07 0.00 0.00 179.97 180.11 3ity h ALA 195 N 1.18 0.81 -0.43 0.04 0.00 -1.12 -0.40 119.26 119.34 3ity h ALA 195 Ca 0.16 -0.14 -0.10 0.00 0.00 0.00 0.00 54.91 54.83 3ity h ALA 195 Cb 0.47 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 18.00 3ity h ALA 195 CO 0.02 0.38 -0.14 0.35 0.00 0.00 0.00 179.25 179.86 3ity h PHE 196 N 0.87 0.88 -0.50 0.00 3.57 -1.06 -1.94 116.94 118.75 3ity h PHE 196 Ca 0.22 -0.17 -0.04 0.00 3.53 0.00 0.00 57.97 61.51 3ity h PHE 196 Cb 0.12 -0.22 -0.02 0.00 2.79 0.00 0.00 35.95 38.62 3ity h PHE 196 CO 0.00 0.88 0.16 0.93 -2.23 0.00 0.00 178.31 178.05 3ity h GLU 197 N 0.71 0.78 -0.76 1.11 5.08 -0.63 -0.14 114.58 120.73 3ity h GLU 197 Ca 0.11 -0.16 0.01 0.00 -1.00 0.00 0.00 59.36 58.32 3ity h GLU 197 Cb 0.63 -0.11 -0.04 0.00 0.50 0.00 0.00 28.75 29.72 3ity h GLU 197 CO 0.04 0.72 0.50 0.00 -1.00 0.00 0.00 179.01 179.27 3ity h ARG 198 N 0.68 0.98 -0.20 2.33 3.08 -0.83 -1.03 114.38 119.39 3ity h ARG 198 Ca 0.16 -0.06 0.00 0.00 0.07 0.00 0.00 59.98 60.16 3ity h ARG 198 Cb 0.26 -0.22 -0.01 0.00 0.08 0.00 0.00 29.97 30.08 3ity h ARG 198 CO -0.01 0.65 0.13 -0.92 -1.07 0.00 0.00 179.97 178.75 3ity h TYR 199 N 1.01 0.26 -0.79 3.04 5.03 -0.95 -1.81 116.97 122.75 3ity h TYR 199 Ca 0.28 0.00 0.01 0.00 2.58 0.00 0.00 58.73 61.61 3ity h TYR 199 Cb -0.10 -0.09 -0.04 0.00 1.55 0.00 0.00 36.73 38.05 3ity h TYR 199 CO -0.02 0.18 0.52 -0.07 -1.32 0.00 0.00 178.16 177.46 3ity h LEU 200 N 0.26 0.90 -0.33 2.82 3.38 -0.55 -0.05 115.31 121.74 3ity h LEU 200 Ca 0.07 -0.02 -0.06 0.00 0.09 0.00 0.00 57.88 57.96 3ity h LEU 200 Cb -0.01 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.51 3ity h LEU 200 CO -0.01 0.64 -0.03 -1.28 0.09 0.00 0.00 178.44 177.85 3ity h SER 201 N 1.05 0.60 -0.54 -0.43 0.87 -0.87 -1.42 113.55 112.81 3ity h SER 201 Ca 0.29 -0.33 -0.07 0.00 -1.23 0.00 0.00 61.79 60.46 3ity h SER 201 Cb -0.09 -0.16 -0.02 0.00 -0.44 0.00 0.00 62.40 61.68 3ity h SER 201 CO -0.07 0.78 0.06 0.00 -0.53 0.00 0.00 176.83 177.08 3ity h ALA 202 N 0.84 0.72 -0.04 6.23 0.00 -0.87 -2.64 119.26 123.50 3ity h ALA 202 Ca 0.09 -0.26 -0.08 0.00 0.00 0.00 0.00 54.91 54.66 3ity h ALA 202 Cb 0.49 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.06 3ity h ALA 202 CO 0.02 0.49 -0.37 0.52 0.00 0.00 0.00 179.25 179.91 3ity h MET 203 N 0.80 0.09 -0.41 0.00 2.07 -0.97 -2.13 114.93 114.38 3ity h MET 203 Ca 0.16 -0.04 -0.06 0.00 -2.07 0.00 0.00 59.70 57.69 3ity h MET 203 Cb 0.45 -0.00 -0.02 0.00 -1.87 0.00 0.00 31.60 30.15 3ity h MET 203 CO 0.02 0.45 -0.01 0.00 1.07 0.00 0.00 176.91 178.44 3ity h ALA 204 N 1.55 1.22 -0.34 6.32 0.00 -0.93 0.59 119.26 127.67 3ity h ALA 204 Ca 0.01 -0.24 -0.09 0.00 0.00 0.00 0.00 54.91 54.59 3ity h ALA 204 Cb 0.69 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.30 3ity h ALA 204 CO 0.05 0.51 -0.13 0.93 0.00 0.00 0.00 179.25 180.62 3ity h GLU 205 N 0.63 0.68 -0.59 0.00 5.08 -1.07 -2.74 114.58 116.56 3ity h GLU 205 Ca 0.13 -0.28 -0.04 0.00 -1.00 0.00 0.00 59.36 58.16 3ity h GLU 205 Cb 0.40 -0.03 -0.03 0.00 0.50 0.00 0.00 28.75 29.60 3ity h GLU 205 CO 0.02 0.87 0.20 0.82 -1.00 0.00 0.00 179.01 179.91 3ity h ILE 206 N 0.46 1.22 -0.64 3.13 2.04 -0.98 -2.56 117.51 120.18 3ity h ILE 206 Ca 0.08 -0.74 0.02 0.00 1.00 0.00 0.00 64.86 65.22 3ity h ILE 206 Cb 0.65 0.56 -0.03 0.00 -0.74 0.00 0.00 36.82 37.25 3ity h ILE 206 CO 0.04 0.29 0.42 0.22 0.00 0.00 0.00 178.15 179.12 3ity h TYR 207 N 0.86 0.76 0.00 1.37 5.03 -0.68 -1.14 116.97 123.16 3ity h TYR 207 Ca 0.20 0.02 0.00 0.00 2.58 0.00 0.00 58.73 61.53 3ity h TYR 207 Cb 0.23 -0.26 0.00 0.00 1.55 0.00 0.00 36.73 38.25 3ity h TYR 207 CO 0.01 0.46 0.00 0.87 -1.32 0.00 0.00 178.16 178.19 3ity h LYS 208 N 0.81 0.00 -0.24 1.82 1.57 -1.16 -2.49 116.57 116.87 3ity h LYS 208 Ca 0.25 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.03 3ity h LYS 208 Cb -0.00 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.31 3ity h LYS 208 CO -0.06 0.00 0.00 0.41 -0.57 0.00 0.00 179.45 179.23 3ity n GLY 209 N -0.22 0.76 3.71 3.86 0.00 -0.43 -4.93 105.19 107.95 3ity n GLY 209 Ca 0.01 -0.52 -0.41 0.00 0.00 0.00 0.00 46.02 45.09 3ity n GLY 209 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3ity s LEU 210 N -1.53 4.38 1.04 0.99 1.43 -0.94 -5.02 118.68 119.03 3ity s LEU 210 Ca 0.34 1.58 -0.12 0.00 -1.03 0.00 0.00 54.13 54.90 3ity s LEU 210 Cb 0.19 -3.47 0.21 0.00 0.03 0.00 0.00 46.19 43.15 3ity s LEU 210 CO 0.28 -0.20 1.07 -2.84 0.23 0.00 0.00 176.35 174.89 3ity s PRO 211 N 0.81 0.09 0.33 1.29 0.02 -1.26 -4.89 135.00 131.38 3ity s PRO 211 Ca 0.48 0.94 0.03 0.00 0.02 0.00 0.00 61.00 62.48 3ity s PRO 211 Cb -0.21 -1.66 0.64 0.00 0.02 0.00 0.00 34.50 33.29 3ity s PRO 211 CO 0.26 -3.08 1.93 -0.44 -0.33 0.00 0.00 177.00 175.35 3ity h ASP 212 N -2.16 0.78 -0.73 2.53 3.32 -2.00 -2.62 116.42 115.54 3ity h ASP 212 Ca -0.54 0.01 -0.22 0.00 0.02 0.00 0.00 57.03 56.29 3ity h ASP 212 Cb 1.31 -0.16 -0.13 0.00 0.22 0.00 0.00 39.33 40.57 3ity h ASP 212 CO 0.50 0.50 0.28 -0.90 -1.72 0.00 0.00 179.24 177.90 3ity n ASP 213 N -4.49 4.76 -4.79 6.45 5.75 -1.26 -4.96 116.55 118.01 3ity n ASP 213 Ca 0.12 -3.18 -0.22 0.00 -0.01 0.00 0.00 54.79 51.51 3ity n ASP 213 Cb 0.22 -0.74 -0.05 0.00 -1.03 0.00 0.00 41.12 39.52 3ity n ASP 213 CO 0.00 0.00 0.00 0.26 -0.11 0.00 0.00 177.20 177.35 3ity s TRP 214 N -2.90 3.02 0.12 2.11 0.52 -0.99 -4.88 118.94 115.94 3ity s TRP 214 Ca 0.53 -0.15 0.08 0.00 0.02 0.00 0.00 56.10 56.58 3ity s TRP 214 Cb 0.43 -1.39 -0.04 0.00 -1.15 0.00 0.00 33.47 31.32 3ity s TRP 214 CO 0.13 0.52 -0.19 0.15 0.02 0.00 0.00 176.95 177.59 3ity s LYS 215 N -3.82 1.12 -0.23 4.98 1.02 -0.89 -4.84 119.74 117.09 3ity s LYS 215 Ca 0.33 -1.21 0.00 0.00 0.02 0.00 0.00 55.97 55.11 3ity s LYS 215 Cb -0.07 -1.25 0.03 0.00 -0.52 0.00 0.00 37.83 36.01 3ity s LYS 215 CO 0.24 0.28 -0.12 -1.17 -0.92 0.00 0.00 175.35 173.65 3ity s LEU 216 N -2.16 2.88 -0.18 3.17 2.96 0.30 -1.58 118.68 124.07 3ity s LEU 216 Ca 0.08 -0.92 -0.07 0.00 -0.22 0.00 0.00 54.13 53.00 3ity s LEU 216 Cb -0.08 -1.57 -0.04 0.00 0.50 0.00 0.00 46.19 45.00 3ity s LEU 216 CO 0.04 -0.10 0.05 -0.36 -1.32 0.00 0.00 176.35 174.66 3ity s PHE 217 N 1.26 3.21 -0.07 5.38 0.08 0.18 -1.41 117.98 126.62 3ity s PHE 217 Ca -0.00 0.01 -0.00 0.00 0.12 0.00 0.00 56.93 57.05 3ity s PHE 217 Cb -0.16 -2.06 -0.03 0.00 -0.57 0.00 0.00 43.02 40.19 3ity s PHE 217 CO -0.08 0.12 -0.03 -1.54 -0.10 0.00 0.00 175.22 173.59 3ity s SER 218 N 0.39 4.93 -0.16 1.36 1.04 -0.86 -0.01 113.70 120.38 3ity s SER 218 Ca 0.02 0.04 0.01 0.00 0.48 0.00 0.00 55.95 56.50 3ity s SER 218 Cb -0.13 -1.31 0.02 0.00 0.10 0.00 0.00 66.02 64.71 3ity s SER 218 CO 0.01 0.36 -0.17 -0.70 0.98 0.00 0.00 173.24 173.71 3ity s GLU 219 N -0.94 2.68 0.51 4.02 2.12 -0.93 -1.25 118.70 124.92 3ity s GLU 219 Ca 0.14 -0.71 -0.11 0.00 0.36 0.00 0.00 54.97 54.65 3ity s GLU 219 Cb -0.11 -2.35 -0.06 0.00 0.26 0.00 0.00 34.13 31.87 3ity s GLU 219 CO 0.03 -0.21 0.90 -3.38 -0.54 0.00 0.00 175.26 172.06 3ity s HIS 220 N 1.35 3.53 -0.26 5.30 -3.43 -1.26 -4.70 115.29 115.82 3ity s HIS 220 Ca 0.04 1.17 -0.12 0.00 -0.80 0.00 0.00 55.06 55.35 3ity s HIS 220 Cb -0.13 -2.58 0.09 0.00 -1.43 0.00 0.00 32.58 28.53 3ity s HIS 220 CO -0.11 -0.37 0.60 0.21 -2.00 0.00 0.00 174.74 173.07 3ity s LYS 221 N -4.45 0.58 0.21 -0.38 2.20 -0.46 -4.74 119.74 112.69 3ity s LYS 221 Ca 0.53 1.20 -0.10 0.00 -0.36 0.00 0.00 55.97 57.24 3ity s LYS 221 Cb -0.10 0.34 0.16 0.00 -1.51 0.00 0.00 37.83 36.72 3ity s LYS 221 CO 0.40 -0.18 1.86 1.98 -0.36 0.00 0.00 175.35 179.06 3ity h MET 222 N 7.42 0.90 -2.78 4.03 1.85 -1.04 -3.36 114.93 121.95 3ity h MET 222 Ca -0.26 -0.05 0.10 0.00 -0.61 0.00 0.00 59.70 58.88 3ity h MET 222 Cb 1.17 -0.20 -0.06 0.00 0.43 0.00 0.00 31.60 32.94 3ity h MET 222 CO 0.16 0.60 0.31 1.52 -0.40 0.00 0.00 176.91 179.10 3ity s TYR 223 N -6.13 -0.18 0.02 1.39 1.13 -1.26 -4.49 117.35 107.84 3ity s TYR 223 Ca -0.13 -0.23 0.00 0.00 -1.41 0.00 0.00 57.07 55.30 3ity s TYR 223 Cb 0.15 0.68 0.00 0.00 -1.10 0.00 0.00 41.96 41.69 3ity s TYR 223 CO 0.77 -1.10 0.00 -1.91 -2.51 0.00 0.00 175.55 170.80 3ity n GLU 224 N -0.46 -0.90 0.28 -3.49 2.13 -1.26 -4.81 120.64 112.12 3ity n GLU 224 Ca -0.05 1.06 0.18 0.00 0.66 0.00 0.00 57.16 59.01 3ity n GLU 224 Cb 0.60 -0.89 0.80 0.00 0.27 0.00 0.00 31.44 32.22 3ity n GLU 224 CO 0.00 0.00 0.00 -1.00 -0.41 0.00 0.00 177.13 175.72 3ity h PRO 225 N 0.71 0.00 -6.33 5.31 0.13 -1.93 -3.48 132.00 126.41 3ity h PRO 225 Ca 0.00 0.00 -0.55 0.00 -0.87 0.00 0.00 66.00 64.58 3ity h PRO 225 Cb 0.00 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 31.10 3ity h PRO 225 CO 0.00 0.00 0.33 0.00 -0.23 0.00 0.00 178.00 178.10 3ity s ALA 226 N -3.75 3.21 -1.33 -0.56 0.00 -1.26 -4.97 121.76 113.10 3ity s ALA 226 Ca -0.00 0.45 0.17 0.00 0.00 0.00 0.00 51.96 52.57 3ity s ALA 226 Cb 0.10 -3.27 0.50 0.00 0.00 0.00 0.00 23.12 20.44 3ity s ALA 226 CO 0.49 -0.24 1.42 1.19 0.00 0.00 0.00 175.76 178.62 3ity n PHE 227 N 3.97 0.80 0.03 0.00 3.72 -1.22 -4.56 117.46 120.20 3ity n PHE 227 Ca 0.05 -0.53 0.00 0.00 -0.05 0.00 0.00 57.45 56.92 3ity n PHE 227 Cb 0.51 -0.05 0.00 0.00 -0.94 0.00 0.00 39.48 39.00 3ity n PHE 227 CO 0.00 0.00 0.00 0.98 -0.05 0.00 0.00 176.76 177.69 3ity n TYR 228 N 0.99 -0.35 -3.94 1.38 9.36 -0.44 -4.93 117.16 119.24 3ity n TYR 228 Ca 0.19 0.06 -0.10 0.00 3.32 0.00 0.00 57.90 61.37 3ity n TYR 228 Cb 0.57 0.18 -0.10 0.00 -0.63 0.00 0.00 39.34 39.36 3ity n TYR 228 CO 0.00 0.00 0.00 -1.54 0.22 0.00 0.00 176.86 175.54 3ity s SER 229 N -5.27 0.18 -0.02 2.98 1.04 -0.52 -4.97 113.70 107.11 3ity s SER 229 Ca 0.00 -0.46 0.03 0.00 0.48 0.00 0.00 55.95 56.00 3ity s SER 229 Cb 0.00 0.18 -0.00 0.00 0.10 0.00 0.00 66.02 66.29 3ity s SER 229 CO 0.00 -0.41 -0.12 -0.89 0.98 0.00 0.00 173.24 172.81 3ity s THR 230 N -1.98 0.96 0.08 2.02 2.01 -1.26 -0.16 115.64 117.31 3ity s THR 230 Ca -0.11 -0.48 -0.31 0.00 0.31 0.00 0.00 61.69 61.11 3ity s THR 230 Cb -0.05 -0.83 -0.16 0.00 0.01 0.00 0.00 72.50 71.47 3ity s THR 230 CO -0.02 0.28 1.64 0.58 -0.69 0.00 0.00 174.62 176.41 3ity h VAL 231 N 5.16 0.39 -3.02 3.82 2.07 -1.67 -3.06 116.25 119.94 3ity h VAL 231 Ca -0.33 0.00 -0.80 0.00 0.82 0.00 0.00 66.70 66.39 3ity h VAL 231 Cb 1.17 0.39 -0.26 0.00 -1.52 0.00 0.00 31.29 31.07 3ity h VAL 231 CO 0.49 0.00 0.78 0.52 0.02 0.00 0.00 177.57 179.38 3ity n VAL 232 N -5.43 4.85 0.09 2.57 0.31 -1.26 -4.83 118.33 114.64 3ity n VAL 232 Ca -0.11 -5.49 -0.13 0.00 -0.01 0.00 0.00 64.34 58.59 3ity n VAL 232 Cb 0.33 -2.35 -0.13 0.00 -0.91 0.00 0.00 33.84 30.78 3ity n VAL 232 CO 0.00 0.00 0.00 0.06 -1.32 0.00 0.00 176.83 175.57 3ity h GLN 233 N 6.12 0.20 0.00 5.55 -0.00 -1.68 -1.22 115.11 124.07 3ity h GLN 233 Ca 0.22 -0.33 -0.31 0.00 -0.00 0.00 0.00 58.65 58.23 3ity h GLN 233 Cb 0.75 0.12 -0.08 0.00 -0.00 0.00 0.00 27.48 28.27 3ity h GLN 233 CO 1.21 1.15 -0.21 -0.40 -0.00 0.00 0.00 178.83 180.59 3ity n ASP 234 N -3.49 -1.16 0.28 0.06 5.68 -1.26 -2.16 116.55 114.49 3ity n ASP 234 Ca -0.06 -2.86 0.15 0.00 -0.50 0.00 0.00 54.79 51.52 3ity n ASP 234 Cb 0.99 2.24 0.78 0.00 -1.14 0.00 0.00 41.12 43.99 3ity n ASP 234 CO 0.00 0.00 0.00 4.11 -1.33 0.00 0.00 177.20 179.98 3ity h TRP 235 N 1.98 0.00 -0.08 2.11 5.08 -1.95 -1.55 115.95 121.54 3ity h TRP 235 Ca -0.25 0.00 -0.02 0.00 1.08 0.00 0.00 58.89 59.70 3ity h TRP 235 Cb 1.13 0.00 -0.00 0.00 -3.00 0.00 0.00 29.16 27.29 3ity h TRP 235 CO 0.00 0.08 -0.04 0.78 -1.28 0.00 0.00 178.44 177.98 3ity h GLY 236 N 1.13 0.19 1.31 11.11 0.00 -1.99 0.91 103.07 115.72 3ity h GLY 236 Ca -0.00 -0.17 -0.08 0.00 0.00 0.00 0.00 47.33 47.08 3ity h GLY 236 CO 0.01 0.15 -0.01 -0.84 0.00 0.00 0.00 176.54 175.85 3ity h THR 237 N -0.19 1.25 -0.85 4.70 2.02 -1.89 -2.33 112.91 115.62 3ity h THR 237 Ca 0.02 -1.05 -0.03 0.00 0.77 0.00 0.00 66.41 66.12 3ity h THR 237 Cb 0.48 0.88 -0.04 0.00 -1.74 0.00 0.00 68.15 67.74 3ity h THR 237 CO 0.01 0.37 0.43 -1.13 0.37 0.00 0.00 175.52 175.57 3ity h ASN 238 N 0.78 1.10 -0.53 4.18 -0.73 -1.10 -1.28 115.58 117.99 3ity h ASN 238 Ca 0.15 -0.13 -0.06 0.00 1.87 0.00 0.00 56.30 58.14 3ity h ASN 238 Cb 0.49 -0.28 -0.02 0.00 0.27 0.00 0.00 38.32 38.78 3ity h ASN 238 CO 0.02 0.91 0.11 0.22 -0.37 0.00 0.00 177.43 178.33 3ity h TYR 239 N 1.20 0.90 -0.52 0.67 3.20 -0.51 -1.81 116.97 120.10 3ity h TYR 239 Ca 0.29 -0.11 0.01 0.00 3.14 0.00 0.00 58.73 62.06 3ity h TYR 239 Cb 0.09 -0.25 -0.03 0.00 1.54 0.00 0.00 36.73 38.08 3ity h TYR 239 CO 0.01 0.80 0.34 -0.07 -1.64 0.00 0.00 178.16 177.61 3ity h LEU 240 N 0.74 0.59 0.48 2.82 3.38 -0.88 0.62 115.31 123.06 3ity h LEU 240 Ca 0.16 -0.01 -0.02 0.00 0.09 0.00 0.00 57.88 58.09 3ity h LEU 240 Cb 0.36 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 40.97 3ity h LEU 240 CO 0.01 0.42 -0.23 0.40 0.09 0.00 0.00 178.44 179.13 3ity h ILE 241 N 0.69 0.38 -0.74 1.22 2.04 -0.80 -1.51 117.51 118.80 3ity h ILE 241 Ca 0.19 -0.46 0.04 0.00 1.00 0.00 0.00 64.86 65.63 3ity h ILE 241 Cb -0.06 0.53 -0.05 0.00 -0.74 0.00 0.00 36.82 36.50 3ity h ILE 241 CO -0.04 0.06 0.46 0.00 0.00 0.00 0.00 178.15 178.63 3ity h ALA 242 N -0.68 0.97 -0.58 1.87 0.00 -1.06 0.35 119.26 120.13 3ity h ALA 242 Ca -0.07 -0.02 -0.07 0.00 0.00 0.00 0.00 54.91 54.75 3ity h ALA 242 Cb 0.59 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 18.13 3ity h ALA 242 CO 0.11 0.24 0.07 0.37 0.00 0.00 0.00 179.25 180.03 3ity h GLN 243 N 0.89 0.95 -0.10 0.00 5.75 -0.93 -2.52 115.11 119.16 3ity h GLN 243 Ca 0.30 -0.25 -0.03 0.00 -0.15 0.00 0.00 58.65 58.52 3ity h GLN 243 Cb 0.04 -0.12 -0.00 0.00 1.07 0.00 0.00 27.48 28.48 3ity h GLN 243 CO -0.12 0.90 -0.07 1.15 -2.65 0.00 0.00 178.83 178.04 3ity h THR 244 N 0.90 1.34 -0.15 2.39 2.02 -0.57 -3.33 112.91 115.50 3ity h THR 244 Ca 0.18 -1.16 -0.01 0.00 0.77 0.00 0.00 66.41 66.19 3ity h THR 244 Cb 0.43 1.90 -0.01 0.00 -1.74 0.00 0.00 68.15 68.73 3ity h THR 244 CO 0.01 0.33 0.06 -0.07 0.37 0.00 0.00 175.52 176.22 3ity h LEU 245 N -0.17 0.20 0.00 2.58 3.38 -0.91 -3.50 115.31 116.90 3ity h LEU 245 Ca 0.02 -0.15 0.00 0.00 0.09 0.00 0.00 57.88 57.84 3ity h LEU 245 Cb 0.55 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 41.25 3ity h LEU 245 CO 0.02 0.30 0.00 0.61 0.09 0.00 0.00 178.44 179.46 3ity n GLY 246 N -0.73 0.56 0.41 0.83 0.00 -0.96 -4.93 105.19 100.38 3ity n GLY 246 Ca -0.05 -1.86 0.21 0.00 0.00 0.00 0.00 46.02 44.32 3ity n GLY 246 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 3ity h PRO 247 N 5.57 0.29 -0.00 1.61 0.11 -1.91 -1.38 132.00 136.29 3ity h PRO 247 Ca 0.00 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 66.09 3ity h PRO 247 Cb 0.00 -0.07 0.00 0.00 0.11 0.00 0.00 31.00 31.04 3ity h PRO 247 CO 0.00 0.19 -0.11 1.63 -0.21 0.00 0.00 178.00 179.51 3ity n LYS 248 N -4.46 0.39 -3.69 1.05 5.02 -1.26 -4.81 118.16 110.39 3ity n LYS 248 Ca 0.18 -0.10 -0.36 0.00 -2.02 0.00 0.00 58.31 56.02 3ity n LYS 248 Cb 0.73 -1.50 -0.09 0.00 -0.02 0.00 0.00 35.03 34.15 3ity n LYS 248 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3ity s ALA 249 N -2.68 3.64 0.26 7.82 0.00 -0.52 -0.54 121.76 129.73 3ity s ALA 249 Ca 0.23 -0.81 0.01 0.00 0.00 0.00 0.00 51.96 51.40 3ity s ALA 249 Cb 0.20 -2.25 -0.04 0.00 0.00 0.00 0.00 23.12 21.02 3ity s ALA 249 CO 0.51 -0.05 0.13 -0.65 0.00 0.00 0.00 175.76 175.71 3ity s GLN 250 N 0.77 1.43 -0.07 0.00 -0.21 -0.50 -4.71 119.66 116.37 3ity s GLN 250 Ca 0.08 -1.78 -0.02 0.00 0.02 0.00 0.00 55.36 53.65 3ity s GLN 250 Cb -0.13 -0.03 -0.04 0.00 1.00 0.00 0.00 33.01 33.82 3ity s GLN 250 CO 0.02 -0.39 0.05 0.00 -2.12 0.00 0.00 175.29 172.85 3ity s LEU 252 N -1.19 3.68 -0.31 0.00 1.43 -0.38 0.03 118.68 121.94 3ity s LEU 252 Ca 0.17 0.13 -0.04 0.00 -1.03 0.00 0.00 54.13 53.35 3ity s LEU 252 Cb -0.12 -1.87 0.04 0.00 0.03 0.00 0.00 46.19 44.27 3ity s LEU 252 CO 0.06 0.31 0.04 -0.69 0.23 0.00 0.00 176.35 176.30 3ity s VAL 253 N -0.44 3.38 -0.31 -1.59 1.01 -0.70 -4.06 120.40 117.70 3ity s VAL 253 Ca 0.09 -1.18 -0.13 0.00 0.00 0.00 0.00 61.98 60.75 3ity s VAL 253 Cb -0.12 -2.89 -0.03 0.00 0.00 0.00 0.00 36.38 33.34 3ity s VAL 253 CO 0.02 -0.09 0.27 -0.62 0.00 0.00 0.00 175.10 174.68 3ity s ASP 254 N 1.34 6.10 0.28 3.32 3.68 -1.26 -0.51 116.67 129.61 3ity s ASP 254 Ca -0.03 -0.14 -0.04 0.00 2.13 0.00 0.00 52.55 54.47 3ity s ASP 254 Cb -0.19 -2.15 0.55 0.00 -1.45 0.00 0.00 42.92 39.68 3ity s ASP 254 CO 0.00 -0.19 1.59 0.25 0.13 0.00 0.00 175.17 176.95 3ity h LEU 255 N 8.52 -0.60 -0.28 -1.34 6.46 -1.77 -0.92 115.31 125.39 3ity h LEU 255 Ca -0.32 0.26 0.00 0.00 -0.12 0.00 0.00 57.88 57.70 3ity h LEU 255 Cb 1.17 0.49 0.00 0.00 -0.73 0.00 0.00 40.66 41.59 3ity h LEU 255 CO 0.62 -0.30 0.00 0.61 -0.62 0.00 0.00 178.44 178.75 3ity n GLY 256 N -1.52 -0.65 1.82 3.75 0.00 -1.26 -4.13 105.19 103.20 3ity n GLY 256 Ca 0.18 -0.10 -0.06 0.00 0.00 0.00 0.00 46.02 46.04 3ity n GLY 256 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 3ity n HIS 257 N -0.32 2.09 -4.50 1.61 8.25 -0.35 -3.09 115.22 118.92 3ity n HIS 257 Ca 0.05 -1.05 -0.25 0.00 -0.26 0.00 0.00 57.72 56.21 3ity n HIS 257 Cb 0.08 -0.62 -0.10 0.00 1.12 0.00 0.00 29.99 30.47 3ity n HIS 257 CO 0.00 0.00 0.00 -1.01 0.64 0.00 0.00 176.34 175.97 3ity s HIS 258 N -2.58 2.34 0.79 4.41 3.76 -1.26 -2.36 115.29 120.40 3ity s HIS 258 Ca 0.46 -0.40 -0.12 0.00 -0.15 0.00 0.00 55.06 54.85 3ity s HIS 258 Cb 0.37 -1.15 0.07 0.00 1.11 0.00 0.00 32.58 32.98 3ity s HIS 258 CO 0.11 0.66 1.14 0.00 -0.85 0.00 0.00 174.74 175.81 3ity s ALA 259 N -2.55 1.99 0.26 -1.40 0.00 -1.26 -4.90 121.76 113.90 3ity s ALA 259 Ca 0.31 0.58 -0.30 0.00 0.00 0.00 0.00 51.96 52.55 3ity s ALA 259 Cb -0.02 -3.39 -0.13 0.00 0.00 0.00 0.00 23.12 19.57 3ity s ALA 259 CO 0.16 -2.06 1.31 -2.30 0.00 0.00 0.00 175.76 172.87 3ity n PRO 260 N -3.39 1.89 -0.91 0.00 -0.02 -1.26 -2.23 135.00 129.08 3ity n PRO 260 Ca 0.11 0.67 0.00 0.00 -2.02 0.00 0.00 63.50 62.26 3ity n PRO 260 Cb 0.52 -2.26 0.00 0.00 -0.02 0.00 0.00 33.50 31.74 3ity n PRO 260 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 3ity n ASN 261 N 1.74 -3.08 -4.69 2.55 3.02 -1.26 -4.99 115.26 108.56 3ity n ASN 261 Ca 0.10 0.00 -0.41 0.00 -0.03 0.00 0.00 54.58 54.24 3ity n ASN 261 Cb 0.32 -1.84 0.01 0.00 -0.61 0.00 0.00 39.78 37.66 3ity n ASN 261 CO 0.00 0.00 0.00 0.41 -2.62 0.00 0.00 177.26 175.05 3ity n THR 262 N -2.31 2.60 -2.92 3.41 -1.04 -0.95 -4.89 114.28 108.18 3ity n THR 262 Ca 0.00 -0.50 -0.44 0.00 -2.04 0.00 0.00 64.05 61.07 3ity n THR 262 Cb 0.18 -1.50 -0.03 0.00 -1.82 0.00 0.00 70.33 67.16 3ity n THR 262 CO 0.00 0.00 0.00 0.21 -0.64 0.00 0.00 175.07 174.64 3ity s ASN 263 N -0.59 6.43 0.17 8.00 3.84 -1.26 -4.86 114.94 126.67 3ity s ASN 263 Ca 0.62 -1.61 -0.08 0.00 0.21 0.00 0.00 52.86 52.00 3ity s ASN 263 Cb -0.51 -2.40 0.04 0.00 -0.55 0.00 0.00 41.25 37.83 3ity s ASN 263 CO 0.57 -1.21 1.51 0.40 -2.79 0.00 0.00 177.10 175.59 3ity h ILE 264 N 5.90 1.28 -0.10 -5.21 2.04 -1.98 -3.05 117.51 116.39 3ity h ILE 264 Ca -0.04 -1.58 0.00 0.00 1.00 0.00 0.00 64.86 64.24 3ity h ILE 264 Cb 1.05 1.45 -0.00 0.00 -0.74 0.00 0.00 36.82 38.57 3ity h ILE 264 CO 1.14 0.52 0.06 1.05 0.00 0.00 0.00 178.15 180.92 3ity h GLU 265 N 0.67 0.12 -0.49 2.37 9.09 -1.90 -1.37 114.58 123.08 3ity h GLU 265 Ca 0.05 -0.01 -0.13 0.00 0.05 0.00 0.00 59.36 59.33 3ity h GLU 265 Cb 0.97 -0.03 -0.01 0.00 -1.65 0.00 0.00 28.75 28.03 3ity h GLU 265 CO 0.09 0.08 -0.19 1.98 0.05 0.00 0.00 179.01 181.03 3ity h MET 266 N 0.13 0.98 -0.73 1.06 4.05 -1.93 -1.88 114.93 116.62 3ity h MET 266 Ca 0.04 -0.41 0.04 0.00 -0.28 0.00 0.00 59.70 59.08 3ity h MET 266 Cb -0.01 -0.04 -0.05 0.00 -0.80 0.00 0.00 31.60 30.70 3ity h MET 266 CO -0.01 1.08 0.45 0.82 0.23 0.00 0.00 176.91 179.49 3ity h ILE 267 N 0.84 1.08 -0.54 1.77 2.04 -1.26 0.11 117.51 121.54 3ity h ILE 267 Ca 0.11 -0.30 0.01 0.00 1.00 0.00 0.00 64.86 65.69 3ity h ILE 267 Cb 0.76 0.13 -0.03 0.00 -0.74 0.00 0.00 36.82 36.95 3ity h ILE 267 CO 0.06 0.16 0.35 0.58 0.00 0.00 0.00 178.15 179.30 3ity h VAL 268 N 0.87 1.11 -0.62 1.67 2.07 -1.16 -0.87 116.25 119.32 3ity h VAL 268 Ca 0.30 -0.24 -0.03 0.00 0.82 0.00 0.00 66.70 67.54 3ity h VAL 268 Cb 0.05 0.34 -0.03 0.00 -1.52 0.00 0.00 31.29 30.13 3ity h VAL 268 CO -0.12 0.13 0.25 0.00 0.02 0.00 0.00 177.57 177.85 3ity h ALA 269 N 1.22 0.81 -0.31 1.67 0.00 -0.44 -1.75 119.26 120.45 3ity h ALA 269 Ca 0.21 -0.17 -0.03 0.00 0.00 0.00 0.00 54.91 54.92 3ity h ALA 269 Cb -0.04 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.49 3ity h ALA 269 CO -0.07 0.42 0.10 0.00 0.00 0.00 0.00 179.25 179.70 3ity h ARG 270 N 0.87 0.49 -0.50 0.00 2.47 -0.45 -0.85 114.38 116.40 3ity h ARG 270 Ca 0.21 -0.11 -0.06 0.00 -1.26 0.00 0.00 59.98 58.76 3ity h ARG 270 Cb 0.20 -0.07 -0.02 0.00 -1.65 0.00 0.00 29.97 28.42 3ity h ARG 270 CO -0.02 0.54 0.08 -0.07 0.56 0.00 0.00 179.97 181.06 3ity h LEU 271 N 0.35 0.74 -0.34 3.04 3.38 -1.04 -2.42 115.31 119.02 3ity h LEU 271 Ca 0.10 -0.14 -0.07 0.00 0.09 0.00 0.00 57.88 57.86 3ity h LEU 271 Cb 0.25 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.80 3ity h LEU 271 CO -0.00 0.76 -0.04 0.40 0.09 0.00 0.00 178.44 179.64 3ity h ILE 272 N 0.75 1.27 -0.83 1.22 2.04 -1.13 0.23 117.51 121.06 3ity h ILE 272 Ca 0.16 -1.06 0.10 0.00 1.00 0.00 0.00 64.86 65.05 3ity h ILE 272 Cb 0.34 1.28 -0.06 0.00 -0.74 0.00 0.00 36.82 37.64 3ity h ILE 272 CO 0.01 0.35 0.54 -0.61 0.00 0.00 0.00 178.15 178.43 3ity h GLN 273 N 0.42 0.77 -0.61 2.37 4.15 -0.79 -0.91 115.11 120.51 3ity h GLN 273 Ca 0.09 -0.05 0.00 0.00 0.77 0.00 0.00 58.65 59.46 3ity h GLN 273 Cb 0.52 -0.17 0.00 0.00 0.21 0.00 0.00 27.48 28.04 3ity h GLN 273 CO 0.03 0.51 0.00 1.19 -1.93 0.00 0.00 178.83 178.63 3ity n PHE 274 N -4.51 1.89 -3.06 3.99 3.72 -0.94 -4.96 117.46 113.59 3ity n PHE 274 Ca 0.14 -0.68 -0.22 0.00 -0.05 0.00 0.00 57.45 56.64 3ity n PHE 274 Cb 0.31 -0.42 0.02 0.00 -0.94 0.00 0.00 39.48 38.45 3ity n PHE 274 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3ity n GLY 275 N 0.82 -0.51 0.26 1.37 0.00 -0.35 -4.90 105.19 101.87 3ity n GLY 275 Ca 0.27 0.10 0.08 0.00 0.00 0.00 0.00 46.02 46.48 3ity n GLY 275 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3ity n LYS 276 N -3.82 1.14 -3.02 1.61 4.76 0.73 -4.95 118.16 114.61 3ity n LYS 276 Ca -0.09 -2.50 -0.44 0.00 -2.87 0.00 0.00 58.31 52.41 3ity n LYS 276 Cb 0.60 -1.35 -0.04 0.00 -1.84 0.00 0.00 35.03 32.39 3ity n LYS 276 CO 0.00 0.00 0.00 -1.17 -1.37 0.00 0.00 177.40 174.86 3ity s LEU 277 N -2.50 5.10 0.18 -0.35 2.96 -1.18 -0.32 118.68 122.57 3ity s LEU 277 Ca 0.29 -1.39 0.02 0.00 -0.22 0.00 0.00 54.13 52.84 3ity s LEU 277 Cb 0.26 -2.34 0.07 0.00 0.50 0.00 0.00 46.19 44.68 3ity s LEU 277 CO 0.00 -1.20 1.43 1.23 -1.32 0.00 0.00 176.35 176.50 3ity h GLY 278 N 10.37 0.29 0.00 7.98 0.00 -0.68 -3.43 103.07 117.59 3ity h GLY 278 Ca -0.25 -0.44 0.00 0.00 0.00 0.00 0.00 47.33 46.64 3ity h GLY 278 CO 1.12 0.39 0.00 0.61 0.00 0.00 0.00 176.54 178.66 3ity n GLY 279 N 0.66 0.77 3.26 4.60 0.00 -1.17 0.09 105.19 113.40 3ity n GLY 279 Ca -0.04 -0.95 -0.31 0.00 0.00 0.00 0.00 46.02 44.72 3ity n GLY 279 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 3ity s PHE 280 N -2.00 2.38 -0.30 1.61 2.19 -1.25 -1.71 117.98 118.89 3ity s PHE 280 Ca 0.00 -0.67 -0.09 0.00 0.33 0.00 0.00 56.93 56.50 3ity s PHE 280 Cb 0.00 -1.56 -0.00 0.00 -1.31 0.00 0.00 43.02 40.15 3ity s PHE 280 CO 0.00 -0.19 0.13 -1.01 1.83 0.00 0.00 175.22 175.98 3ity s HIS 281 N -0.21 3.17 0.14 10.12 3.76 0.33 -2.01 115.29 130.59 3ity s HIS 281 Ca -0.02 -0.67 -0.22 0.00 -0.15 0.00 0.00 55.06 54.00 3ity s HIS 281 Cb -0.13 -2.32 -0.08 0.00 1.11 0.00 0.00 32.58 31.16 3ity s HIS 281 CO 0.03 -0.48 0.70 -0.06 -0.85 0.00 0.00 174.74 174.07 3ity s PHE 282 N 1.58 3.83 0.00 1.40 0.08 0.42 -2.27 117.98 123.03 3ity s PHE 282 Ca 0.04 1.47 0.00 0.00 0.12 0.00 0.00 56.93 58.56 3ity s PHE 282 Cb -0.17 -2.65 0.00 0.00 -0.57 0.00 0.00 43.02 39.63 3ity s PHE 282 CO 0.05 0.51 0.00 0.27 -0.10 0.00 0.00 175.22 175.95 3ity n ASN 283 N 1.48 0.00 -4.35 1.36 0.23 -1.26 -1.37 115.26 111.35 3ity n ASN 283 Ca -0.07 0.00 -0.18 0.00 -0.53 0.00 0.00 54.58 53.81 3ity n ASN 283 Cb 0.50 0.00 -0.10 0.00 -2.08 0.00 0.00 39.78 38.09 3ity n ASN 283 CO 0.00 0.00 0.00 -0.62 -0.93 0.00 0.00 177.26 175.71 3ity s ASP 284 N 0.00 1.81 0.14 0.53 -1.08 0.47 -4.57 116.67 113.97 3ity s ASP 284 Ca 0.00 -1.27 -0.24 0.00 -0.52 0.00 0.00 52.55 50.52 3ity s ASP 284 Cb 0.00 0.02 0.07 0.00 -1.46 0.00 0.00 42.92 41.55 3ity s ASP 284 CO 0.00 -0.57 0.68 -0.94 0.52 0.00 0.00 175.17 174.86 3ity s SER 285 N -3.34 -0.49 0.00 -0.34 1.04 -1.26 -1.30 113.70 108.01 3ity s SER 285 Ca 0.31 -0.06 0.00 0.00 0.48 0.00 0.00 55.95 56.68 3ity s SER 285 Cb 0.07 0.56 0.00 0.00 0.10 0.00 0.00 66.02 66.75 3ity s SER 285 CO 0.11 -0.93 0.00 1.17 0.98 0.00 0.00 173.24 174.57 3ity n LYS 286 N -0.36 1.42 -0.05 4.02 4.81 -1.26 -4.76 118.16 121.99 3ity n LYS 286 Ca -0.14 0.00 -0.11 0.00 -0.87 0.00 0.00 58.31 57.19 3ity n LYS 286 Cb 0.64 -0.80 -0.04 0.00 0.02 0.00 0.00 35.03 34.85 3ity n LYS 286 CO 0.00 0.00 0.00 0.66 1.17 0.00 0.00 177.40 179.23 3ity n TYR 287 N -1.67 0.00 0.00 5.64 4.01 -1.26 -5.09 117.16 118.79 3ity n TYR 287 Ca 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.74 3ity n TYR 287 Cb 0.30 -0.37 0.00 0.00 -0.31 0.00 0.00 39.34 38.96 3ity n TYR 287 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3ity n GLY 288 N 2.35 4.73 2.86 2.72 0.00 -1.26 -4.90 105.19 111.69 3ity n GLY 288 Ca -0.20 -0.54 -0.42 0.00 0.00 0.00 0.00 46.02 44.86 3ity n GLY 288 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 3ity n ASP 289 N 0.00 4.49 0.27 1.61 2.03 -1.18 -4.69 116.55 119.09 3ity n ASP 289 Ca 0.00 -2.97 0.16 0.00 0.52 0.00 0.00 54.79 52.51 3ity n ASP 289 Cb 0.00 -1.58 0.71 0.00 -0.72 0.00 0.00 41.12 39.52 3ity n ASP 289 CO 0.00 0.00 0.00 0.44 -1.92 0.00 0.00 177.20 175.72 3ity h ASP 290 N 6.01 0.00 -6.25 1.67 3.32 -1.83 -3.47 116.42 115.87 3ity h ASP 290 Ca 0.48 0.00 -0.47 0.00 0.02 0.00 0.00 57.03 57.05 3ity h ASP 290 Cb 0.65 0.00 -0.05 0.00 0.22 0.00 0.00 39.33 40.16 3ity h ASP 290 CO 1.73 0.05 -0.75 0.47 -1.72 0.00 0.00 179.24 179.02 3ity n ASP 291 N -3.18 -4.78 -4.91 6.45 8.00 -1.24 -4.78 116.55 112.11 3ity n ASP 291 Ca -0.00 -0.76 -0.28 0.00 0.71 0.00 0.00 54.79 54.46 3ity n ASP 291 Cb 0.30 -3.82 0.06 0.00 -0.02 0.00 0.00 41.12 37.63 3ity n ASP 291 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 3ity s LEU 292 N -7.25 2.91 0.14 0.64 1.43 -0.42 -1.36 118.68 114.78 3ity s LEU 292 Ca 0.66 0.77 -0.35 0.00 -1.03 0.00 0.00 54.13 54.18 3ity s LEU 292 Cb -0.33 -3.48 -0.15 0.00 0.03 0.00 0.00 46.19 42.26 3ity s LEU 292 CO 0.81 -1.42 1.50 0.47 0.23 0.00 0.00 176.35 177.94 3ity n ASP 293 N -2.91 2.65 -4.63 2.29 9.92 -1.26 -0.39 116.55 122.21 3ity n ASP 293 Ca 0.07 1.10 -0.47 0.00 -0.53 0.00 0.00 54.79 54.95 3ity n ASP 293 Cb 0.59 -1.36 -0.04 0.00 -0.64 0.00 0.00 41.12 39.67 3ity n ASP 293 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 3ity n ALA 294 N 3.10 0.30 -0.66 2.24 0.00 -1.26 -1.90 120.51 122.32 3ity n ALA 294 Ca 0.17 0.45 0.00 0.00 0.00 0.00 0.00 53.44 54.06 3ity n ALA 294 Cb 0.26 -2.19 0.00 0.00 0.00 0.00 0.00 19.45 17.52 3ity n ALA 294 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3ity n GLY 295 N 2.42 1.12 0.25 0.00 0.00 -1.26 -4.74 105.19 102.99 3ity n GLY 295 Ca 0.15 0.00 0.15 0.00 0.00 0.00 0.00 46.02 46.31 3ity n GLY 295 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ity h ALA 296 N 0.00 1.00 0.00 4.61 0.00 -1.75 -3.29 119.26 119.83 3ity h ALA 296 Ca 0.00 -0.03 -0.19 0.00 0.00 0.00 0.00 54.91 54.69 3ity h ALA 296 Cb 0.00 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 17.76 3ity h ALA 296 CO 0.00 0.04 -1.63 -0.89 0.00 0.00 0.00 179.25 176.76 3ity n ILE 297 N -3.12 0.65 -3.60 0.00 2.08 -1.26 -4.92 119.36 109.19 3ity n ILE 297 Ca 0.02 -0.16 -0.27 0.00 0.56 0.00 0.00 62.75 62.89 3ity n ILE 297 Cb 0.39 -1.66 -0.11 0.00 -0.75 0.00 0.00 39.64 37.51 3ity n ILE 297 CO 0.00 0.00 0.00 -1.61 0.56 0.00 0.00 176.55 175.50 3ity s GLU 298 N -2.22 1.53 0.44 0.38 2.02 -1.26 -4.96 118.70 114.63 3ity s GLU 298 Ca -0.16 -2.61 0.15 0.00 0.02 0.00 0.00 54.97 52.36 3ity s GLU 298 Cb 0.06 -2.23 0.98 0.00 0.10 0.00 0.00 34.13 33.05 3ity s GLU 298 CO 0.20 -1.35 1.97 -1.00 0.02 0.00 0.00 175.26 175.11 3ity h PRO 299 N 5.54 0.00 -0.44 0.39 0.13 -1.92 -2.85 132.00 132.85 3ity h PRO 299 Ca 0.22 0.00 -0.10 0.00 -0.87 0.00 0.00 66.00 65.25 3ity h PRO 299 Cb 0.85 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.96 3ity h PRO 299 CO 0.51 0.21 -0.10 -0.92 -0.23 0.00 0.00 178.00 177.47 3ity h TYR 300 N 0.00 0.95 -0.86 1.56 3.20 -1.93 -1.91 116.97 117.98 3ity h TYR 300 Ca -0.00 -0.20 0.03 0.00 3.14 0.00 0.00 58.73 61.70 3ity h TYR 300 Cb 0.38 -0.23 -0.05 0.00 1.54 0.00 0.00 36.73 38.36 3ity h TYR 300 CO 0.00 0.95 0.55 -0.09 -1.64 0.00 0.00 178.16 177.93 3ity h ARG 301 N 0.68 1.05 -0.68 1.82 2.43 -1.94 0.13 114.38 117.87 3ity h ARG 301 Ca 0.11 -0.06 0.00 0.00 -0.81 0.00 0.00 59.98 59.22 3ity h ARG 301 Cb 0.64 -0.24 -0.03 0.00 -0.42 0.00 0.00 29.97 29.92 3ity h ARG 301 CO 0.04 0.69 0.44 1.25 -1.51 0.00 0.00 179.97 180.88 3ity h LEU 302 N 1.08 0.80 -0.78 3.80 5.85 -1.34 -0.73 115.31 124.00 3ity h LEU 302 Ca 0.34 -0.04 -0.05 0.00 0.84 0.00 0.00 57.88 58.97 3ity h LEU 302 Cb 0.00 -0.20 -0.03 0.00 0.37 0.00 0.00 40.66 40.80 3ity h LEU 302 CO -0.12 0.60 0.29 0.15 -0.34 0.00 0.00 178.44 179.03 3ity h PHE 303 N 0.93 1.20 -0.06 1.25 3.57 -0.48 -1.98 116.94 121.37 3ity h PHE 303 Ca 0.25 -0.10 -0.07 0.00 3.53 0.00 0.00 57.97 61.58 3ity h PHE 303 Cb -0.07 -0.36 -0.01 0.00 2.79 0.00 0.00 35.95 38.30 3ity h PHE 303 CO -0.02 0.92 -0.31 -0.07 -2.23 0.00 0.00 178.31 176.60 3ity h LEU 304 N 1.13 0.10 -0.34 0.59 3.38 -0.04 0.19 115.31 120.33 3ity h LEU 304 Ca 0.26 -0.03 -0.10 0.00 0.09 0.00 0.00 57.88 58.10 3ity h LEU 304 Cb 0.24 -0.03 -0.01 0.00 0.09 0.00 0.00 40.66 40.95 3ity h LEU 304 CO -0.02 0.41 -0.17 0.58 0.09 0.00 0.00 178.44 179.33 3ity h VAL 305 N 0.09 1.29 0.00 1.22 2.07 -0.81 -2.78 116.25 117.33 3ity h VAL 305 Ca 0.01 -1.29 -0.08 0.00 0.82 0.00 0.00 66.70 66.16 3ity h VAL 305 Cb 0.59 1.39 -0.01 0.00 -1.52 0.00 0.00 31.29 31.75 3ity h VAL 305 CO 0.04 0.42 -0.40 -0.26 0.02 0.00 0.00 177.57 177.40 3ity h PHE 306 N 0.49 0.00 -0.73 1.57 0.04 -0.61 -2.12 116.94 115.58 3ity h PHE 306 Ca 0.08 0.00 -0.02 0.00 2.80 0.00 0.00 57.97 60.83 3ity h PHE 306 Cb 0.71 0.00 -0.03 0.00 2.20 0.00 0.00 35.95 38.82 3ity h PHE 306 CO 0.06 0.40 0.39 -0.97 -0.60 0.00 0.00 178.31 177.58 3ity h ASN 307 N 0.00 0.90 -0.18 2.17 -1.24 -0.46 0.17 115.58 116.95 3ity h ASN 307 Ca -0.00 -0.08 -0.17 0.00 0.71 0.00 0.00 56.30 56.76 3ity h ASN 307 Cb 0.71 -0.23 -0.00 0.00 0.73 0.00 0.00 38.32 39.53 3ity h ASN 307 CO 0.05 0.74 -0.52 -0.33 -1.29 0.00 0.00 177.43 176.08 3ity h GLU 308 N 1.01 0.76 -0.58 6.67 4.39 -1.14 -0.10 114.58 125.59 3ity h GLU 308 Ca 0.26 -0.46 -0.05 0.00 0.34 0.00 0.00 59.36 59.44 3ity h GLU 308 Cb 0.04 0.05 -0.02 0.00 -0.10 0.00 0.00 28.75 28.71 3ity h GLU 308 CO -0.04 1.09 0.15 -0.07 -1.16 0.00 0.00 179.01 178.98 3ity h LEU 309 N 0.59 0.88 -0.38 1.33 3.38 -0.76 -2.50 115.31 117.85 3ity h LEU 309 Ca 0.02 -0.23 -0.18 0.00 0.09 0.00 0.00 57.88 57.58 3ity h LEU 309 Cb 1.09 -0.23 -0.00 0.00 0.09 0.00 0.00 40.66 41.61 3ity h LEU 309 CO 0.11 0.88 -0.64 0.58 0.09 0.00 0.00 178.44 179.46 3ity h VAL 310 N 0.84 1.32 -0.15 1.22 2.07 -0.63 -3.07 116.25 117.85 3ity h VAL 310 Ca 0.18 -1.91 -0.02 0.00 0.82 0.00 0.00 66.70 65.78 3ity h VAL 310 Cb 0.34 1.87 -0.01 0.00 -1.52 0.00 0.00 31.29 31.97 3ity h VAL 310 CO 0.00 0.59 -0.01 -0.78 0.02 0.00 0.00 177.57 177.40 3ity h ASP 311 N 0.45 0.19 -0.70 0.57 -0.00 -0.86 -1.30 116.42 114.78 3ity h ASP 311 Ca -0.01 -0.02 0.00 0.00 -0.00 0.00 0.00 57.03 57.00 3ity h ASP 311 Cb 1.22 -0.05 -0.03 0.00 -0.00 0.00 0.00 39.33 40.47 3ity h ASP 311 CO 0.12 0.24 0.44 0.00 -0.00 0.00 0.00 179.24 180.05 3ity h ALA 312 N 1.79 0.89 -0.48 -0.78 0.00 -1.35 0.17 119.26 119.49 3ity h ALA 312 Ca 0.05 -0.07 -0.11 0.00 0.00 0.00 0.00 54.91 54.78 3ity h ALA 312 Cb 0.16 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.66 3ity h ALA 312 CO 0.00 0.33 -0.14 1.49 0.00 0.00 0.00 179.25 180.93 3ity h GLU 313 N 0.95 0.91 -0.59 0.00 4.81 -1.39 -1.26 114.58 118.01 3ity h GLU 313 Ca 0.25 -0.34 -0.06 0.00 -0.13 0.00 0.00 59.36 59.09 3ity h GLU 313 Cb -0.07 -0.06 -0.03 0.00 0.63 0.00 0.00 28.75 29.23 3ity h GLU 313 CO -0.05 0.99 0.14 0.00 -0.73 0.00 0.00 179.01 179.36 3ity h ALA 314 N 1.02 1.14 0.00 2.92 0.00 -0.36 -1.85 119.26 122.13 3ity h ALA 314 Ca 0.12 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 54.81 3ity h ALA 314 Cb 0.68 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 18.24 3ity h ALA 314 CO 0.05 0.58 0.00 0.54 0.00 0.00 0.00 179.25 180.42 3ity n ARG 315 N -4.26 0.06 -2.43 0.00 1.74 0.51 -4.92 116.66 107.38 3ity n ARG 315 Ca 0.04 0.06 -0.03 0.00 -0.77 0.00 0.00 57.85 57.15 3ity n ARG 315 Cb 0.24 -1.50 0.01 0.00 -1.02 0.00 0.00 32.46 30.19 3ity n ARG 315 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3ity n GLY 316 N 1.09 0.55 3.74 -0.13 0.00 -0.70 -4.99 105.19 104.75 3ity n GLY 316 Ca 0.07 -0.63 -0.42 0.00 0.00 0.00 0.00 46.02 45.05 3ity n GLY 316 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3ity s VAL 317 N -2.70 2.65 0.15 1.61 1.01 -0.54 -4.97 120.40 117.61 3ity s VAL 317 Ca 0.05 0.52 -0.14 0.00 0.00 0.00 0.00 61.98 62.41 3ity s VAL 317 Cb -0.02 -3.33 -0.07 0.00 0.00 0.00 0.00 36.38 32.96 3ity s VAL 317 CO 0.06 0.07 0.55 -0.54 0.00 0.00 0.00 175.10 175.24 3ity s LYS 318 N 0.04 3.95 -1.60 2.72 3.01 -1.26 -4.33 119.74 122.28 3ity s LYS 318 Ca 0.62 0.46 -0.03 0.00 -1.01 0.00 0.00 55.97 56.01 3ity s LYS 318 Cb -0.42 -2.90 0.01 0.00 -1.01 0.00 0.00 37.83 33.50 3ity s LYS 318 CO 0.40 0.46 0.41 0.41 0.51 0.00 0.00 175.35 177.54 3ity n GLY 319 N 0.70 -0.52 3.40 -3.33 0.00 -1.26 -4.95 105.19 99.24 3ity n GLY 319 Ca -0.05 0.09 -0.44 0.00 0.00 0.00 0.00 46.02 45.62 3ity n GLY 319 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 3ity s PHE 320 N -3.11 3.04 -0.45 1.61 5.36 -1.26 -4.93 117.98 118.24 3ity s PHE 320 Ca 0.21 -0.81 0.08 0.00 -0.96 0.00 0.00 56.93 55.46 3ity s PHE 320 Cb -0.10 -3.77 0.27 0.00 -0.34 0.00 0.00 43.02 39.08 3ity s PHE 320 CO 0.26 -1.15 0.61 0.72 -1.46 0.00 0.00 175.22 174.21 3ity n HIS 321 N 6.16 0.75 -1.67 10.12 8.25 -1.26 -5.11 115.22 132.46 3ity n HIS 321 Ca -0.09 -3.74 -0.39 0.00 -0.26 0.00 0.00 57.72 53.25 3ity n HIS 321 Cb 0.44 -0.41 0.04 0.00 1.12 0.00 0.00 29.99 31.18 3ity n HIS 321 CO 0.00 0.00 0.00 -0.35 0.64 0.00 0.00 176.34 176.63 3ity n PRO 322 N 1.07 1.30 -3.39 -0.41 -0.04 -1.26 -4.95 135.00 127.32 3ity n PRO 322 Ca 0.24 0.48 -0.45 0.00 -0.04 0.00 0.00 63.50 63.73 3ity n PRO 322 Cb 0.52 -2.32 -0.04 0.00 -0.04 0.00 0.00 33.50 31.62 3ity n PRO 322 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3ity s ALA 323 N -1.38 3.88 0.22 0.55 0.00 0.11 -4.91 121.76 120.24 3ity s ALA 323 Ca 0.72 -3.10 -0.23 0.00 0.00 0.00 0.00 51.96 49.35 3ity s ALA 323 Cb -0.44 -3.30 -0.08 0.00 0.00 0.00 0.00 23.12 19.29 3ity s ALA 323 CO 0.49 -2.17 0.79 -1.01 0.00 0.00 0.00 175.76 173.86 3ity s HIS 324 N 0.51 3.75 0.01 0.00 3.76 -1.26 -3.90 115.29 118.16 3ity s HIS 324 Ca 0.14 1.55 -0.13 0.00 -0.15 0.00 0.00 55.06 56.47 3ity s HIS 324 Cb -0.17 -2.73 0.02 0.00 1.11 0.00 0.00 32.58 30.81 3ity s HIS 324 CO -0.05 0.37 0.28 1.41 -0.85 0.00 0.00 174.74 175.90 3ity s MET 325 N -1.70 0.69 -0.04 1.40 1.75 -0.85 -1.23 119.30 119.31 3ity s MET 325 Ca 0.42 -0.33 -0.16 0.00 -1.25 0.00 0.00 55.69 54.37 3ity s MET 325 Cb -0.19 0.30 -0.05 0.00 2.84 0.00 0.00 34.83 37.73 3ity s MET 325 CO 0.23 -0.20 0.42 0.42 -0.65 0.00 0.00 175.02 175.25 3ity s ILE 326 N -1.76 5.08 -0.32 10.11 1.01 -0.33 -0.43 121.20 134.55 3ity s ILE 326 Ca -0.11 0.86 -0.02 0.00 0.00 0.00 0.00 60.65 61.38 3ity s ILE 326 Cb -0.04 -3.74 0.11 0.00 0.01 0.00 0.00 42.46 38.80 3ity s ILE 326 CO 0.01 0.50 0.15 -0.62 0.00 0.00 0.00 174.94 174.98 3ity s ASP 327 N -0.50 3.57 0.15 3.58 -1.08 -0.47 -3.84 116.67 118.08 3ity s ASP 327 Ca 0.24 -1.70 0.01 0.00 -0.52 0.00 0.00 52.55 50.58 3ity s ASP 327 Cb -0.16 -0.57 -0.04 0.00 -1.46 0.00 0.00 42.92 40.68 3ity s ASP 327 CO 0.12 -0.39 -0.00 -1.10 0.52 0.00 0.00 175.17 174.32 3ity s GLN 328 N 1.59 1.00 -0.11 4.34 -0.21 -1.26 -4.56 119.66 120.46 3ity s GLN 328 Ca 0.12 -1.47 0.02 0.00 0.02 0.00 0.00 55.36 54.06 3ity s GLN 328 Cb -0.19 -0.14 0.01 0.00 1.00 0.00 0.00 33.01 33.69 3ity s GLN 328 CO -0.22 -0.13 -0.18 0.45 -2.12 0.00 0.00 175.29 173.09 3ity s SER 329 N -3.12 2.58 -0.49 5.90 0.15 -0.46 -4.63 113.70 113.63 3ity s SER 329 Ca 0.21 -0.46 -0.07 0.00 0.70 0.00 0.00 55.95 56.33 3ity s SER 329 Cb 0.06 -1.17 0.13 0.00 -1.71 0.00 0.00 66.02 63.33 3ity s SER 329 CO 0.01 0.06 0.34 -1.00 1.20 0.00 0.00 173.24 173.85 3ity s HIS 330 N 0.77 3.49 -0.19 3.44 0.09 -1.26 -4.63 115.29 117.01 3ity s HIS 330 Ca -0.10 -2.16 0.22 0.00 -0.00 0.00 0.00 55.06 53.02 3ity s HIS 330 Cb -0.16 -3.40 -0.08 0.00 -0.00 0.00 0.00 32.58 28.94 3ity s HIS 330 CO 0.01 -0.97 0.91 0.09 -0.00 0.00 0.00 174.74 174.78 3ity n ASN 331 N 4.57 0.67 -0.77 1.40 3.02 -1.26 -1.00 115.26 121.89 3ity n ASN 331 Ca -0.03 0.26 0.03 0.00 -0.03 0.00 0.00 54.58 54.81 3ity n ASN 331 Cb 0.41 0.75 0.04 0.00 -0.61 0.00 0.00 39.78 40.37 3ity n ASN 331 CO 0.00 0.00 0.00 1.33 -2.62 0.00 0.00 177.26 175.97 3ity n VAL 332 N -2.61 0.42 -4.12 2.41 0.24 -1.26 -4.72 118.33 108.69 3ity n VAL 332 Ca -0.02 -0.86 -0.11 0.00 -2.04 0.00 0.00 64.34 61.30 3ity n VAL 332 Cb 0.58 0.50 -0.08 0.00 -1.47 0.00 0.00 33.84 33.37 3ity n VAL 332 CO 0.00 0.00 0.00 0.42 -2.14 0.00 0.00 176.83 175.11 3ity s THR 333 N -0.63 0.00 -0.27 3.34 -4.23 -1.26 -5.10 115.64 107.50 3ity s THR 333 Ca 0.18 -1.76 -0.29 0.00 -1.18 0.00 0.00 61.69 58.64 3ity s THR 333 Cb 0.19 -2.40 -0.01 0.00 1.34 0.00 0.00 72.50 71.62 3ity s THR 333 CO -0.06 0.00 1.40 -0.62 -0.54 0.00 0.00 174.62 174.80 3ity s ASP 334 N -3.12 6.59 0.32 3.99 3.68 -1.26 -4.89 116.67 121.98 3ity s ASP 334 Ca 0.33 1.37 0.09 0.00 2.13 0.00 0.00 52.55 56.46 3ity s ASP 334 Cb 0.04 -2.54 0.90 0.00 -1.45 0.00 0.00 42.92 39.87 3ity s ASP 334 CO 0.12 -1.12 1.68 -0.65 0.13 0.00 0.00 175.17 175.33 3ity h PRO 335 N 9.68 0.34 -0.41 4.34 0.11 -1.87 -0.41 132.00 143.78 3ity h PRO 335 Ca -0.29 -0.02 -0.02 0.00 0.11 0.00 0.00 66.00 65.78 3ity h PRO 335 Cb 1.12 -0.08 -0.02 0.00 0.11 0.00 0.00 31.00 32.13 3ity h PRO 335 CO 1.02 0.23 0.17 0.82 -0.21 0.00 0.00 178.00 180.02 3ity h ILE 336 N 0.35 1.20 -0.69 4.15 2.04 -1.86 -1.19 117.51 121.50 3ity h ILE 336 Ca 0.65 -0.60 -0.05 0.00 1.00 0.00 0.00 64.86 65.86 3ity h ILE 336 Cb 1.36 0.82 -0.03 0.00 -0.74 0.00 0.00 36.82 38.23 3ity h ILE 336 CO -0.58 0.22 0.24 -0.33 0.00 0.00 0.00 178.15 177.70 3ity h GLU 337 N 0.52 1.06 -0.41 2.37 5.08 -1.51 -1.23 114.58 120.47 3ity h GLU 337 Ca 0.14 -0.21 -0.06 0.00 -1.00 0.00 0.00 59.36 58.23 3ity h GLU 337 Cb 0.18 -0.16 -0.02 0.00 0.50 0.00 0.00 28.75 29.26 3ity h GLU 337 CO -0.01 0.90 0.04 0.77 -1.00 0.00 0.00 179.01 179.71 3ity h SER 338 N 1.00 0.68 -0.69 1.42 0.02 -1.14 -1.60 113.55 113.25 3ity h SER 338 Ca 0.23 -0.28 -0.04 0.00 -0.84 0.00 0.00 61.79 60.85 3ity h SER 338 Cb 0.27 -0.18 -0.03 0.00 0.14 0.00 0.00 62.40 62.59 3ity h SER 338 CO -0.01 0.79 0.27 -0.07 -1.14 0.00 0.00 176.83 176.67 3ity h LEU 339 N 0.54 0.96 0.49 5.07 3.38 -1.06 0.96 115.31 125.65 3ity h LEU 339 Ca 0.12 -0.14 -0.02 0.00 0.09 0.00 0.00 57.88 57.92 3ity h LEU 339 Cb 0.42 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 40.93 3ity h LEU 339 CO 0.01 0.86 -0.25 0.40 0.09 0.00 0.00 178.44 179.56 3ity h ILE 340 N 1.02 0.49 0.00 1.22 2.04 -1.00 -0.25 117.51 121.03 3ity h ILE 340 Ca 0.24 0.00 -0.03 0.00 1.00 0.00 0.00 64.86 66.07 3ity h ILE 340 Cb 0.21 0.49 -0.00 0.00 -0.74 0.00 0.00 36.82 36.78 3ity h ILE 340 CO -0.02 0.00 -0.14 0.78 0.00 0.00 0.00 178.15 178.77 3ity h ASN 341 N -0.67 0.00 -0.05 1.72 2.35 -1.11 -1.41 115.58 116.41 3ity h ASN 341 Ca -0.06 0.00 -0.22 0.00 -0.55 0.00 0.00 56.30 55.47 3ity h ASN 341 Cb 0.53 0.00 0.02 0.00 0.05 0.00 0.00 38.32 38.91 3ity h ASN 341 CO 0.10 0.14 -0.82 0.28 -1.65 0.00 0.00 177.43 175.49 3ity h SER 342 N 0.00 0.80 -0.28 5.81 0.02 -0.61 -1.27 113.55 118.02 3ity h SER 342 Ca -0.00 -0.71 -0.05 0.00 -0.84 0.00 0.00 61.79 60.19 3ity h SER 342 Cb 0.60 -0.24 -0.02 0.00 0.14 0.00 0.00 62.40 62.88 3ity h SER 342 CO 0.02 1.39 0.02 0.00 -1.14 0.00 0.00 176.83 177.12 3ity h ALA 343 N 0.42 1.33 -0.34 3.77 0.00 -0.77 -1.42 119.26 122.25 3ity h ALA 343 Ca -0.09 -0.21 -0.04 0.00 0.00 0.00 0.00 54.91 54.57 3ity h ALA 343 Cb 1.48 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 19.09 3ity h ALA 343 CO 0.16 0.46 0.04 -0.91 0.00 0.00 0.00 179.25 179.01 3ity h ASN 344 N 0.56 0.55 -0.69 0.00 -0.26 -1.14 -2.02 115.58 112.59 3ity h ASN 344 Ca 0.12 -0.27 -0.02 0.00 -0.56 0.00 0.00 56.30 55.57 3ity h ASN 344 Cb 0.33 -0.15 -0.03 0.00 -1.06 0.00 0.00 38.32 37.41 3ity h ASN 344 CO 0.01 0.68 0.36 -0.33 -1.06 0.00 0.00 177.43 177.09 3ity h GLU 345 N 0.40 0.99 -0.38 0.81 4.39 -0.72 0.92 114.58 121.00 3ity h GLU 345 Ca 0.10 -0.12 -0.04 0.00 0.34 0.00 0.00 59.36 59.64 3ity h GLU 345 Cb 0.37 -0.19 -0.02 0.00 -0.10 0.00 0.00 28.75 28.82 3ity h GLU 345 CO 0.01 0.75 0.09 0.82 -1.16 0.00 0.00 179.01 179.52 3ity h ILE 346 N 0.99 1.23 -0.08 3.13 2.04 -1.11 -0.63 117.51 123.07 3ity h ILE 346 Ca 0.25 -0.77 -0.09 0.00 1.00 0.00 0.00 64.86 65.25 3ity h ILE 346 Cb 0.07 1.00 -0.01 0.00 -0.74 0.00 0.00 36.82 37.14 3ity h ILE 346 CO -0.04 0.26 -0.36 0.03 0.00 0.00 0.00 178.15 178.05 3ity h ARG 347 N 0.47 0.16 -0.11 2.37 3.08 -0.95 -1.90 114.38 117.49 3ity h ARG 347 Ca 0.12 -0.06 -0.01 0.00 0.07 0.00 0.00 59.98 60.10 3ity h ARG 347 Cb 0.30 -0.01 -0.01 0.00 0.08 0.00 0.00 29.97 30.34 3ity h ARG 347 CO 0.00 0.50 0.05 -0.09 -1.07 0.00 0.00 179.97 179.36 3ity h ARG 348 N 0.14 0.16 -0.53 0.04 2.43 -0.33 0.89 114.38 117.18 3ity h ARG 348 Ca 0.02 -0.03 -0.08 0.00 -0.81 0.00 0.00 59.98 59.08 3ity h ARG 348 Cb 0.70 -0.03 -0.02 0.00 -0.42 0.00 0.00 29.97 30.20 3ity h ARG 348 CO 0.05 0.25 0.02 0.00 -1.51 0.00 0.00 179.97 178.78 3ity h ALA 349 N 0.91 1.02 -0.10 2.80 0.00 -1.00 -1.64 119.26 121.24 3ity h ALA 349 Ca 0.04 -0.28 -0.01 0.00 0.00 0.00 0.00 54.91 54.67 3ity h ALA 349 Cb 0.14 -0.21 -0.00 0.00 0.00 0.00 0.00 17.79 17.72 3ity h ALA 349 CO -0.00 0.61 0.04 -0.92 0.00 0.00 0.00 179.25 178.98 3ity h TYR 350 N 0.83 0.15 -0.64 0.00 3.20 -1.13 -0.90 116.97 118.48 3ity h TYR 350 Ca 0.16 -0.01 0.04 0.00 3.14 0.00 0.00 58.73 62.06 3ity h TYR 350 Cb 0.47 -0.05 -0.04 0.00 1.54 0.00 0.00 36.73 38.65 3ity h TYR 350 CO 0.03 0.25 0.39 0.00 -1.64 0.00 0.00 178.16 177.18 3ity h ALA 351 N 0.89 0.85 -0.53 1.82 0.00 -0.63 -1.60 119.26 120.06 3ity h ALA 351 Ca 0.03 -0.01 -0.07 0.00 0.00 0.00 0.00 54.91 54.87 3ity h ALA 351 Cb 0.16 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.74 3ity h ALA 351 CO -0.00 0.12 0.06 1.96 0.00 0.00 0.00 179.25 181.38 3ity h GLN 352 N 0.75 0.85 -0.18 0.00 4.20 -1.13 -2.12 115.11 117.48 3ity h GLN 352 Ca 0.27 -0.21 -0.05 0.00 0.06 0.00 0.00 58.65 58.71 3ity h GLN 352 Cb 0.06 -0.11 -0.01 0.00 0.30 0.00 0.00 27.48 27.72 3ity h GLN 352 CO -0.12 0.82 -0.11 0.00 -0.67 0.00 0.00 178.83 178.74 3ity h ALA 353 N 1.25 1.48 0.00 3.87 0.00 -0.44 -1.39 119.26 124.03 3ity h ALA 353 Ca 0.16 -0.21 -0.03 0.00 0.00 0.00 0.00 54.91 54.83 3ity h ALA 353 Cb 0.40 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 18.09 3ity h ALA 353 CO 0.01 0.37 -0.16 -0.07 0.00 0.00 0.00 179.25 179.40 3ity h LEU 354 N 0.27 0.00 -0.09 0.00 3.38 -0.64 -2.98 115.31 115.26 3ity h LEU 354 Ca 0.06 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.03 3ity h LEU 354 Cb 0.37 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.12 3ity h LEU 354 CO 0.02 0.16 0.00 -0.07 0.09 0.00 0.00 178.44 178.64 3ity h LEU 355 N 0.00 0.00 -9.53 1.67 3.38 -0.97 -3.46 115.31 106.40 3ity h LEU 355 Ca -0.00 0.00 -0.56 0.00 0.09 0.00 0.00 57.88 57.40 3ity h LEU 355 Cb 0.61 0.00 0.05 0.00 0.09 0.00 0.00 40.66 41.41 3ity h LEU 355 CO 0.02 0.00 0.91 0.52 0.09 0.00 0.00 178.44 179.98 3ity n VAL 356 N -2.52 0.09 -2.51 1.22 0.31 -1.13 -4.81 118.33 108.98 3ity n VAL 356 Ca 0.05 -0.02 -0.40 0.00 -0.01 0.00 0.00 64.34 63.97 3ity n VAL 356 Cb 0.44 -1.74 -0.03 0.00 -0.91 0.00 0.00 33.84 31.60 3ity n VAL 356 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 3ity s ASP 357 N 1.42 6.33 0.43 4.52 -1.08 -1.26 -4.82 116.67 122.21 3ity s ASP 357 Ca 0.79 -1.26 0.12 0.00 -0.52 0.00 0.00 52.55 51.68 3ity s ASP 357 Cb -0.61 -2.57 0.93 0.00 -1.46 0.00 0.00 42.92 39.21 3ity s ASP 357 CO 0.37 -1.66 1.98 0.03 0.52 0.00 0.00 175.17 176.41 3ity h ARG 358 N 10.02 0.12 -0.11 4.34 2.47 -1.96 -0.94 114.38 128.31 3ity h ARG 358 Ca 0.14 -0.02 -0.02 0.00 -1.26 0.00 0.00 59.98 58.82 3ity h ARG 358 Cb 1.02 -0.02 -0.00 0.00 -1.65 0.00 0.00 29.97 29.31 3ity h ARG 358 CO 1.39 0.25 -0.00 0.00 0.56 0.00 0.00 179.97 182.18 3ity h ALA 359 N 1.76 0.15 -0.51 0.04 0.00 -2.00 -0.48 119.26 118.23 3ity h ALA 359 Ca 0.02 -0.19 -0.05 0.00 0.00 0.00 0.00 54.91 54.70 3ity h ALA 359 Cb 0.30 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.03 3ity h ALA 359 CO 0.02 -0.16 0.11 0.00 0.00 0.00 0.00 179.25 179.23 3ity h ALA 360 N 0.75 0.67 -0.42 0.00 0.00 -1.91 -2.68 119.26 115.67 3ity h ALA 360 Ca 0.03 -0.22 0.02 0.00 0.00 0.00 0.00 54.91 54.74 3ity h ALA 360 Cb 0.36 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 17.93 3ity h ALA 360 CO 0.01 0.37 0.25 1.25 0.00 0.00 0.00 179.25 181.13 3ity h LEU 361 N 0.70 0.40 -1.46 0.00 5.85 -1.09 -1.08 115.31 118.64 3ity h LEU 361 Ca 0.16 0.00 0.02 0.00 0.84 0.00 0.00 57.88 58.90 3ity h LEU 361 Cb 0.35 -0.08 -0.03 0.00 0.37 0.00 0.00 40.66 41.26 3ity h LEU 361 CO 0.00 0.29 0.38 0.77 -0.34 0.00 0.00 178.44 179.55 3ity h SER 362 N 0.50 0.61 -0.18 1.25 4.64 -0.94 0.06 113.55 119.49 3ity h SER 362 Ca 0.17 -0.01 -0.05 0.00 -0.47 0.00 0.00 61.79 61.42 3ity h SER 362 Cb 0.00 -0.15 -0.00 0.00 -0.31 0.00 0.00 62.40 61.94 3ity h SER 362 CO -0.07 0.43 -0.09 1.23 -0.87 0.00 0.00 176.83 177.46 3ity h GLY 363 N 0.72 0.41 2.00 -0.77 0.00 -1.02 -1.78 103.07 102.62 3ity h GLY 363 Ca 0.22 -0.37 -0.06 0.00 0.00 0.00 0.00 47.33 47.12 3ity h GLY 363 CO -0.06 0.33 -0.30 -0.97 0.00 0.00 0.00 176.54 175.55 3ity h TYR 364 N 0.06 0.00 -0.15 5.60 0.05 -0.69 -1.95 116.97 119.89 3ity h TYR 364 Ca 0.04 0.00 -0.11 0.00 0.05 0.00 0.00 58.73 58.71 3ity h TYR 364 Cb 0.57 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.31 3ity h TYR 364 CO 0.07 0.30 -0.34 1.96 -1.05 0.00 0.00 178.16 179.09 3ity h GLN 365 N 0.00 0.49 -0.31 4.88 4.20 -0.88 0.67 115.11 124.16 3ity h GLN 365 Ca -0.00 -0.33 -0.06 0.00 0.06 0.00 0.00 58.65 58.31 3ity h GLN 365 Cb 0.56 0.05 -0.02 0.00 0.30 0.00 0.00 27.48 28.37 3ity h GLN 365 CO 0.04 0.94 -0.08 0.93 -0.67 0.00 0.00 178.83 179.99 3ity h GLU 366 N 0.11 0.51 -0.22 1.46 4.39 -1.08 -2.52 114.58 117.23 3ity h GLU 366 Ca -0.00 -0.13 0.00 0.00 0.34 0.00 0.00 59.36 59.57 3ity h GLU 366 Cb 0.94 -0.06 0.00 0.00 -0.10 0.00 0.00 28.75 29.53 3ity h GLU 366 CO 0.07 0.60 0.00 -0.25 -1.16 0.00 0.00 179.01 178.27 3ity n ASP 367 N -4.23 1.85 -3.84 1.42 8.00 -0.75 -4.93 116.55 114.06 3ity n ASP 367 Ca 0.01 -1.78 -0.28 0.00 0.71 0.00 0.00 54.79 53.45 3ity n ASP 367 Cb 0.30 -0.14 0.03 0.00 -0.02 0.00 0.00 41.12 41.29 3ity n ASP 367 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 3ity n ASN 368 N 0.45 -4.14 -4.26 -2.24 4.13 -0.87 -4.89 115.26 103.45 3ity n ASN 368 Ca 0.16 -0.77 -0.44 0.00 1.68 0.00 0.00 54.58 55.21 3ity n ASN 368 Cb 0.35 -4.02 0.00 0.00 -1.54 0.00 0.00 39.78 34.57 3ity n ASN 368 CO 0.00 0.00 0.00 -0.67 0.28 0.00 0.00 177.26 176.87 3ity n ASP 369 N -2.90 5.58 -0.29 6.41 -0.08 0.17 -4.88 116.55 120.56 3ity n ASP 369 Ca -0.04 -3.10 0.04 0.00 -1.51 0.00 0.00 54.79 50.18 3ity n ASP 369 Cb 0.56 -1.42 0.18 0.00 2.34 0.00 0.00 41.12 42.79 3ity n ASP 369 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 3ity h ALA 370 N 6.44 1.20 -0.07 -1.67 0.00 -1.90 -1.49 119.26 121.77 3ity h ALA 370 Ca 0.24 0.05 -0.00 0.00 0.00 0.00 0.00 54.91 55.20 3ity h ALA 370 Cb 0.80 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.49 3ity h ALA 370 CO 1.20 0.03 0.03 1.25 0.00 0.00 0.00 179.25 181.76 3ity h LEU 371 N 0.73 0.10 -1.15 0.00 6.46 -1.96 -1.58 115.31 117.90 3ity h LEU 371 Ca 0.42 -0.15 -0.07 0.00 -0.12 0.00 0.00 57.88 57.96 3ity h LEU 371 Cb 0.46 -0.03 -0.01 0.00 -0.73 0.00 0.00 40.66 40.35 3ity h LEU 371 CO -0.29 0.22 -0.35 0.24 -0.62 0.00 0.00 178.44 177.64 3ity h MET 372 N -0.03 0.00 -0.06 1.25 2.86 -1.92 -1.03 114.93 116.00 3ity h MET 372 Ca 0.02 0.00 -0.01 0.00 -2.06 0.00 0.00 59.70 57.65 3ity h MET 372 Cb 0.15 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 31.81 3ity h MET 372 CO -0.00 0.35 -0.01 0.00 1.06 0.00 0.00 176.91 178.31 3ity h ALA 373 N 1.65 0.08 -0.34 6.32 0.00 -1.05 0.10 119.26 126.02 3ity h ALA 373 Ca -0.00 -0.19 -0.10 0.00 0.00 0.00 0.00 54.91 54.62 3ity h ALA 373 Cb 0.77 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.52 3ity h ALA 373 CO 0.05 -0.22 -0.20 0.00 0.00 0.00 0.00 179.25 178.88 3ity h THR 374 N -0.21 1.26 0.00 0.00 1.03 -1.16 -2.16 112.91 111.68 3ity h THR 374 Ca 0.02 -1.24 -0.07 0.00 -0.01 0.00 0.00 66.41 65.10 3ity h THR 374 Cb 0.38 1.21 -0.01 0.00 -1.07 0.00 0.00 68.15 68.66 3ity h THR 374 CO 0.00 0.41 -0.33 -0.08 -0.01 0.00 0.00 175.52 175.51 3ity h GLU 375 N 0.58 0.00 -0.32 0.00 4.57 -1.10 -0.50 114.58 117.81 3ity h GLU 375 Ca 0.09 0.00 -0.11 0.00 -1.18 0.00 0.00 59.36 58.15 3ity h GLU 375 Cb 0.65 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 29.23 3ity h GLU 375 CO 0.05 0.33 -0.27 1.15 -1.18 0.00 0.00 179.01 179.09 3ity h THR 376 N 0.00 1.28 -0.21 0.32 2.02 -0.33 -0.35 112.91 115.64 3ity h THR 376 Ca -0.00 -1.37 -0.13 0.00 0.77 0.00 0.00 66.41 65.67 3ity h THR 376 Cb 0.64 1.32 0.00 0.00 -1.74 0.00 0.00 68.15 68.38 3ity h THR 376 CO 0.04 0.45 -0.39 -0.07 0.37 0.00 0.00 175.52 175.92 3ity h LEU 377 N 0.56 0.70 -1.32 2.58 4.07 -1.08 -3.21 115.31 117.62 3ity h LEU 377 Ca 0.07 -0.54 -0.03 0.00 0.08 0.00 0.00 57.88 57.46 3ity h LEU 377 Cb 0.75 -0.20 -0.02 0.00 1.08 0.00 0.00 40.66 42.27 3ity h LEU 377 CO 0.06 1.11 0.14 0.11 -1.08 0.00 0.00 178.44 178.78 3ity h LYS 378 N 0.31 0.61 -0.12 1.13 1.79 -0.83 -1.18 116.57 118.28 3ity h LYS 378 Ca 0.01 -0.09 -0.02 0.00 -2.18 0.00 0.00 60.65 58.37 3ity h LYS 378 Cb 0.99 -0.11 -0.01 0.00 -1.58 0.00 0.00 32.23 31.52 3ity h LYS 378 CO 0.09 0.53 -0.02 0.00 -1.08 0.00 0.00 179.45 178.96 3ity h ARG 379 N 0.61 0.17 0.01 3.15 3.08 -1.07 0.34 114.38 120.66 3ity h ARG 379 Ca 0.15 -0.02 -0.00 0.00 0.07 0.00 0.00 59.98 60.17 3ity h ARG 379 Cb 0.17 -0.03 0.00 0.00 0.08 0.00 0.00 29.97 30.18 3ity h ARG 379 CO -0.01 0.21 -0.00 0.00 -1.07 0.00 0.00 179.97 179.10 3ity h ALA 380 N 1.82 -0.01 -0.53 0.04 0.00 -1.45 -3.28 119.26 115.85 3ity h ALA 380 Ca 0.04 -0.43 -0.01 0.00 0.00 0.00 0.00 54.91 54.51 3ity h ALA 380 Cb 0.16 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 17.92 3ity h ALA 380 CO 0.00 -0.04 0.27 -0.92 0.00 0.00 0.00 179.25 178.56 3ity h TYR 381 N -0.94 0.71 0.00 0.00 3.20 -0.93 -2.31 116.97 116.70 3ity h TYR 381 Ca -0.00 -0.01 0.00 0.00 3.14 0.00 0.00 58.73 61.86 3ity h TYR 381 Cb 0.86 -0.23 0.00 0.00 1.54 0.00 0.00 36.73 38.90 3ity h TYR 381 CO 0.23 0.51 0.00 0.00 -1.64 0.00 0.00 178.16 177.27 3ity h ARG 382 N 0.73 0.00 -6.50 1.82 3.08 -0.47 -3.44 114.38 109.60 3ity h ARG 382 Ca 0.19 0.00 -0.53 0.00 0.07 0.00 0.00 59.98 59.70 3ity h ARG 382 Cb 0.05 0.00 0.02 0.00 0.08 0.00 0.00 29.97 30.12 3ity h ARG 382 CO -0.03 0.00 0.77 0.99 -1.07 0.00 0.00 179.97 180.63 3ity s THR 383 N -3.49 3.39 -0.67 2.04 2.01 -0.87 -4.95 115.64 113.10 3ity s THR 383 Ca 0.03 0.95 -0.26 0.00 0.31 0.00 0.00 61.69 62.72 3ity s THR 383 Cb 0.09 -3.61 0.04 0.00 0.01 0.00 0.00 72.50 69.03 3ity s THR 383 CO 0.50 0.05 1.16 -0.62 -0.69 0.00 0.00 174.62 175.01 3ity s ASP 384 N 1.37 6.24 -0.01 3.53 2.15 -1.26 -4.87 116.67 123.82 3ity s ASP 384 Ca 0.65 -0.43 0.13 0.00 0.43 0.00 0.00 52.55 53.32 3ity s ASP 384 Cb -0.36 -2.52 0.39 0.00 -0.30 0.00 0.00 42.92 40.14 3ity s ASP 384 CO 0.29 -1.61 1.31 1.33 -0.17 0.00 0.00 175.17 176.32 3ity n VAL 385 N 6.32 0.67 -0.32 1.11 0.24 -1.26 -4.44 118.33 120.66 3ity n VAL 385 Ca 0.03 -0.60 0.10 0.00 -2.04 0.00 0.00 64.34 61.83 3ity n VAL 385 Cb 0.48 0.22 0.31 0.00 -1.47 0.00 0.00 33.84 33.39 3ity n VAL 385 CO 0.00 0.00 0.00 -0.08 -2.14 0.00 0.00 176.83 174.61 3ity h GLU 386 N 2.49 0.81 -0.53 7.34 4.57 -1.97 -0.02 114.58 127.26 3ity h GLU 386 Ca 0.00 -0.05 -0.01 0.00 -1.18 0.00 0.00 59.36 58.12 3ity h GLU 386 Cb 0.65 -0.18 -0.03 0.00 -0.16 0.00 0.00 28.75 29.03 3ity h GLU 386 CO 0.03 0.53 0.27 -1.35 -1.18 0.00 0.00 179.01 177.31 3ity h PRO 387 N 0.83 0.73 -0.18 0.92 0.11 -1.93 0.28 132.00 132.76 3ity h PRO 387 Ca 0.48 -0.08 -0.03 0.00 0.11 0.00 0.00 66.00 66.49 3ity h PRO 387 Cb 0.64 -0.15 -0.01 0.00 0.11 0.00 0.00 31.00 31.60 3ity h PRO 387 CO -0.25 0.55 0.01 0.82 -0.21 0.00 0.00 178.00 178.92 3ity h ILE 388 N 0.73 1.24 -0.59 4.15 2.04 -1.35 -0.64 117.51 123.10 3ity h ILE 388 Ca 0.19 -0.82 0.01 0.00 1.00 0.00 0.00 64.86 65.24 3ity h ILE 388 Cb 0.05 1.44 -0.03 0.00 -0.74 0.00 0.00 36.82 37.54 3ity h ILE 388 CO -0.03 0.25 0.38 -0.07 0.00 0.00 0.00 178.15 178.68 3ity h LEU 389 N 0.07 0.66 -0.60 1.44 4.07 -0.98 -0.63 115.31 119.33 3ity h LEU 389 Ca 0.05 -0.01 -0.03 0.00 0.08 0.00 0.00 57.88 57.97 3ity h LEU 389 Cb 0.36 -0.16 -0.03 0.00 1.08 0.00 0.00 40.66 41.92 3ity h LEU 389 CO 0.01 0.47 0.26 0.00 -1.08 0.00 0.00 178.44 178.10 3ity h ALA 390 N 1.22 0.77 -0.48 1.53 0.00 -0.82 -1.92 119.26 119.58 3ity h ALA 390 Ca 0.22 -0.15 -0.13 0.00 0.00 0.00 0.00 54.91 54.85 3ity h ALA 390 Cb -0.07 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.47 3ity h ALA 390 CO -0.06 0.36 -0.20 1.49 0.00 0.00 0.00 179.25 180.85 3ity h GLU 391 N 0.82 0.96 -0.76 0.00 4.57 -0.87 -0.90 114.58 118.40 3ity h GLU 391 Ca 0.20 -0.39 0.02 0.00 -1.18 0.00 0.00 59.36 58.01 3ity h GLU 391 Cb 0.16 -0.04 -0.04 0.00 -0.16 0.00 0.00 28.75 28.67 3ity h GLU 391 CO -0.02 1.06 0.49 0.00 -1.18 0.00 0.00 179.01 179.36 3ity h ALA 392 N 0.94 0.99 -0.17 2.92 0.00 -0.88 -0.61 119.26 122.45 3ity h ALA 392 Ca 0.11 -0.04 -0.02 0.00 0.00 0.00 0.00 54.91 54.96 3ity h ALA 392 Cb 0.76 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 18.27 3ity h ALA 392 CO 0.06 0.32 0.01 0.00 0.00 0.00 0.00 179.25 179.64 3ity h ARG 393 N 0.98 0.29 -0.40 0.00 3.08 -1.08 -2.69 114.38 114.55 3ity h ARG 393 Ca 0.30 -0.09 0.07 0.00 0.07 0.00 0.00 59.98 60.33 3ity h ARG 393 Cb -0.03 -0.03 -0.07 0.00 0.08 0.00 0.00 29.97 29.92 3ity h ARG 393 CO -0.09 0.49 -0.02 -0.09 -1.07 0.00 0.00 179.97 179.18 3ity h ARG 394 N 0.05 0.08 0.00 0.04 2.43 -0.67 0.48 114.38 116.78 3ity h ARG 394 Ca 0.05 -0.00 -0.03 0.00 -0.81 0.00 0.00 59.98 59.19 3ity h ARG 394 Cb 0.35 -0.02 -0.00 0.00 -0.42 0.00 0.00 29.97 29.88 3ity h ARG 394 CO 0.01 0.05 -0.13 0.00 -1.51 0.00 0.00 179.97 178.39 3ity h ARG 395 N 0.08 0.00 -0.61 0.20 3.08 -1.09 -3.05 114.38 112.99 3ity h ARG 395 Ca 0.20 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.25 3ity h ARG 395 Cb 0.28 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.33 3ity h ARG 395 CO -0.34 0.13 0.00 0.25 -1.07 0.00 0.00 179.97 178.93 3ity n THR 396 N -4.28 1.30 -0.37 2.04 -2.24 -0.75 -4.94 114.28 105.05 3ity n THR 396 Ca -0.03 -1.10 0.00 0.00 -2.27 0.00 0.00 64.05 60.66 3ity n THR 396 Cb 0.20 0.36 0.00 0.00 -2.10 0.00 0.00 70.33 68.79 3ity n THR 396 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3ity n GLY 397 N 1.17 0.81 0.00 3.38 0.00 -0.92 -4.99 105.19 104.64 3ity n GLY 397 Ca 0.22 -0.05 0.00 0.00 0.00 0.00 0.00 46.02 46.19 3ity n GLY 397 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3ity n GLY 398 N -2.37 1.16 3.70 -0.02 0.00 0.16 -4.79 105.19 103.03 3ity n GLY 398 Ca 0.00 -2.01 -0.35 0.00 0.00 0.00 0.00 46.02 43.66 3ity n GLY 398 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ity s ALA 399 N -2.51 3.38 0.20 4.61 0.00 -0.43 -4.29 121.76 122.73 3ity s ALA 399 Ca 0.00 -0.77 -0.10 0.00 0.00 0.00 0.00 51.96 51.08 3ity s ALA 399 Cb 0.00 -1.60 0.19 0.00 0.00 0.00 0.00 23.12 21.71 3ity s ALA 399 CO 0.00 0.54 1.83 0.28 0.00 0.00 0.00 175.76 178.42 3ity h VAL 400 N 4.23 1.06 -3.23 0.00 2.07 -1.88 -3.30 116.25 115.20 3ity h VAL 400 Ca -0.49 -0.27 -0.62 0.00 0.82 0.00 0.00 66.70 66.13 3ity h VAL 400 Cb 1.20 0.21 -0.40 0.00 -1.52 0.00 0.00 31.29 30.77 3ity h VAL 400 CO 0.57 0.14 -0.70 -0.62 0.02 0.00 0.00 177.57 176.98 3ity s ASP 401 N -5.69 4.07 0.15 0.57 -1.08 -1.26 -4.68 116.67 108.75 3ity s ASP 401 Ca -0.13 -2.56 -0.25 0.00 -0.52 0.00 0.00 52.55 49.09 3ity s ASP 401 Cb 0.15 -1.29 0.00 0.00 -1.46 0.00 0.00 42.92 40.32 3ity s ASP 401 CO 0.76 -0.29 1.60 -0.65 0.52 0.00 0.00 175.17 177.12 3ity h PRO 402 N 6.95 -0.33 -0.62 4.34 0.11 -1.85 -1.79 132.00 138.81 3ity h PRO 402 Ca -0.05 0.02 -0.05 0.00 0.11 0.00 0.00 66.00 66.03 3ity h PRO 402 Cb 0.94 0.08 -0.03 0.00 0.11 0.00 0.00 31.00 32.10 3ity h PRO 402 CO 0.55 -0.22 0.19 0.28 -0.21 0.00 0.00 178.00 178.59 3ity h VAL 403 N -0.35 1.25 -0.82 3.15 2.07 -1.95 0.32 116.25 119.92 3ity h VAL 403 Ca 0.12 -0.84 -0.00 0.00 0.82 0.00 0.00 66.70 66.79 3ity h VAL 403 Cb 0.54 0.62 -0.04 0.00 -1.52 0.00 0.00 31.29 30.89 3ity h VAL 403 CO -0.42 0.32 0.49 0.00 0.02 0.00 0.00 177.57 177.98 3ity h ALA 404 N 1.07 1.04 -0.43 1.67 0.00 -1.96 -0.35 119.26 120.30 3ity h ALA 404 Ca 0.20 -0.09 -0.12 0.00 0.00 0.00 0.00 54.91 54.90 3ity h ALA 404 Cb 0.30 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 17.74 3ity h ALA 404 CO -0.01 0.51 -0.18 1.15 0.00 0.00 0.00 179.25 180.72 3ity h THR 405 N 1.12 1.28 -0.41 0.00 2.02 -1.05 -0.82 112.91 115.05 3ity h THR 405 Ca 0.29 -1.33 0.03 0.00 0.77 0.00 0.00 66.41 66.17 3ity h THR 405 Cb -0.04 1.22 -0.03 0.00 -1.74 0.00 0.00 68.15 67.56 3ity h THR 405 CO -0.05 0.45 0.22 0.22 0.37 0.00 0.00 175.52 176.72 3ity h TYR 406 N 0.71 0.41 -0.47 3.16 3.20 -0.54 -1.69 116.97 121.74 3ity h TYR 406 Ca 0.10 0.02 -0.09 0.00 3.14 0.00 0.00 58.73 61.89 3ity h TYR 406 Cb 0.75 -0.12 -0.02 0.00 1.54 0.00 0.00 36.73 38.87 3ity h TYR 406 CO 0.05 0.22 -0.09 0.00 -1.64 0.00 0.00 178.16 176.71 3ity h ARG 407 N 0.44 0.83 0.00 1.82 3.08 -0.88 -2.77 114.38 116.91 3ity h ARG 407 Ca 0.17 -0.27 -0.04 0.00 0.07 0.00 0.00 59.98 59.91 3ity h ARG 407 Cb 0.05 -0.07 -0.01 0.00 0.08 0.00 0.00 29.97 30.03 3ity h ARG 407 CO -0.10 0.89 -0.20 0.00 -1.07 0.00 0.00 179.97 179.48 3ity h ALA 408 N 1.14 1.17 0.00 0.04 0.00 -0.73 -2.86 119.26 118.03 3ity h ALA 408 Ca 0.13 -0.18 -0.02 0.00 0.00 0.00 0.00 54.91 54.84 3ity h ALA 408 Cb 0.58 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.33 3ity h ALA 408 CO 0.04 0.25 -0.07 0.66 0.00 0.00 0.00 179.25 180.12 3ity h SER 409 N 0.00 0.00 -0.67 0.00 4.64 -1.02 -3.47 113.55 113.03 3ity h SER 409 Ca -0.00 0.00 -0.19 0.00 -0.47 0.00 0.00 61.79 61.13 3ity h SER 409 Cb 0.56 0.00 -0.06 0.00 -0.31 0.00 0.00 62.40 62.59 3ity h SER 409 CO 0.03 0.07 -0.19 0.61 -0.87 0.00 0.00 176.83 176.48 3ity n GLY 410 N 0.82 0.79 0.15 -0.77 0.00 -1.08 -4.93 105.19 100.17 3ity n GLY 410 Ca 0.03 -0.59 -0.06 0.00 0.00 0.00 0.00 46.02 45.40 3ity n GLY 410 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 3ity h TYR 411 N 0.00 0.06 -0.42 1.61 3.20 -1.85 -1.57 116.97 117.99 3ity h TYR 411 Ca -0.19 0.02 0.03 0.00 3.14 0.00 0.00 58.73 61.73 3ity h TYR 411 Cb 0.75 0.03 -0.03 0.00 1.54 0.00 0.00 36.73 39.01 3ity h TYR 411 CO 0.25 -0.02 0.22 -0.09 -1.64 0.00 0.00 178.16 176.88 3ity h ARG 412 N 0.15 0.43 -0.73 1.82 9.65 -1.92 -0.83 114.38 122.95 3ity h ARG 412 Ca 0.17 -0.03 -0.03 0.00 -1.10 0.00 0.00 59.98 59.00 3ity h ARG 412 Cb 0.22 -0.10 -0.03 0.00 -1.39 0.00 0.00 29.97 28.67 3ity h ARG 412 CO -0.25 0.29 0.36 0.00 2.80 0.00 0.00 179.97 183.16 3ity h ALA 413 N 1.21 1.25 0.42 2.80 0.00 -1.91 -0.55 119.26 122.49 3ity h ALA 413 Ca 0.18 -0.14 -0.02 0.00 0.00 0.00 0.00 54.91 54.93 3ity h ALA 413 Cb 0.06 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 17.56 3ity h ALA 413 CO -0.11 0.58 -0.21 -0.09 0.00 0.00 0.00 179.25 179.42 3ity h ARG 414 N 1.04 -0.56 0.00 0.00 2.43 -0.38 -2.58 114.38 114.33 3ity h ARG 414 Ca 0.25 0.04 -0.03 0.00 -0.81 0.00 0.00 59.98 59.44 3ity h ARG 414 Cb 0.10 0.13 -0.00 0.00 -0.42 0.00 0.00 29.97 29.77 3ity h ARG 414 CO -0.03 -0.37 -0.12 -0.39 -1.51 0.00 0.00 179.97 177.54 3ity h VAL 415 N -0.58 0.33 -0.44 0.20 -1.51 -1.03 -2.66 116.25 110.56 3ity h VAL 415 Ca -0.06 -0.77 -0.08 0.00 -1.23 0.00 0.00 66.70 64.56 3ity h VAL 415 Cb 0.45 1.58 -0.02 0.00 -2.13 0.00 0.00 31.29 31.18 3ity h VAL 415 CO 0.09 0.12 -0.06 0.00 -1.23 0.00 0.00 177.57 176.49 3ity h ALA 416 N 1.88 1.08 0.00 5.19 0.00 -0.79 -0.10 119.26 126.53 3ity h ALA 416 Ca -0.00 -0.28 -0.11 0.00 0.00 0.00 0.00 54.91 54.51 3ity h ALA 416 Cb 0.58 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 18.17 3ity h ALA 416 CO 0.02 0.57 -0.53 0.00 0.00 0.00 0.00 179.25 179.31 3ity h ALA 417 N 1.25 0.68 0.00 0.00 0.00 -1.14 -3.31 119.26 116.74 3ity h ALA 417 Ca 0.13 -0.48 -0.24 0.00 0.00 0.00 0.00 54.91 54.32 3ity h ALA 417 Cb 0.51 -0.09 -0.04 0.00 0.00 0.00 0.00 17.79 18.17 3ity h ALA 417 CO 0.03 0.67 -1.27 0.93 0.00 0.00 0.00 179.25 179.61 3ity h GLU 418 N 0.00 0.00 -5.08 0.00 5.08 -1.18 -3.46 114.58 109.95 3ity h GLU 418 Ca -0.01 0.00 -0.64 0.00 -1.00 0.00 0.00 59.36 57.71 3ity h GLU 418 Cb 1.36 0.00 -0.21 0.00 0.50 0.00 0.00 28.75 30.39 3ity h GLU 418 CO 0.07 0.78 -0.63 1.03 -1.00 0.00 0.00 179.01 179.26 3ity s ARG 419 N -2.68 3.70 0.24 2.33 0.52 -0.08 -5.09 118.95 117.88 3ity s ARG 419 Ca -0.01 -0.47 -0.30 0.00 -0.52 0.00 0.00 55.73 54.43 3ity s ARG 419 Cb 0.09 -3.21 -0.09 0.00 0.52 0.00 0.00 34.95 32.27 3ity s ARG 419 CO 0.82 -0.02 1.06 -1.25 0.02 0.00 0.00 175.30 175.93 3ity s PRO 420 N 1.14 4.67 0.27 3.54 0.04 -1.26 -4.62 135.00 138.79 3ity s PRO 420 Ca 0.04 1.70 -0.28 0.00 0.04 0.00 0.00 61.00 62.49 3ity s PRO 420 Cb -0.14 -3.24 -0.09 0.00 0.04 0.00 0.00 34.50 31.06 3ity s PRO 420 CO 0.03 0.24 0.94 0.00 0.04 0.00 0.00 177.00 178.25 3ity s ALA 421 N -0.85 3.29 0.31 8.56 0.00 -1.26 -4.93 121.76 126.87 3ity s ALA 421 Ca 0.45 0.58 -0.29 0.00 0.00 0.00 0.00 51.96 52.70 3ity s ALA 421 Cb -0.30 -3.20 -0.11 0.00 0.00 0.00 0.00 23.12 19.51 3ity s ALA 421 CO 0.37 0.19 1.52 -1.12 0.00 0.00 0.00 175.76 176.72 3ity s SER 422 N -1.35 6.45 -0.05 0.00 0.01 -1.26 -4.92 113.70 112.58 3ity s SER 422 Ca 0.45 2.90 0.18 0.00 1.31 0.00 0.00 55.95 60.79 3ity s SER 422 Cb -0.23 -2.64 -0.28 0.00 0.21 0.00 0.00 66.02 63.08 3ity s SER 422 CO 0.29 -0.84 0.36 0.52 0.41 0.00 0.00 173.24 173.98 3ity n VAL 423 N 1.70 0.18 -0.57 3.43 0.31 -1.26 -5.23 118.33 116.88 3ity n VAL 423 Ca 0.06 -0.47 0.00 0.00 -0.01 0.00 0.00 64.34 63.91 3ity n VAL 423 Cb 0.39 -0.02 0.00 0.00 -0.91 0.00 0.00 33.84 33.30 3ity n VAL 423 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51