#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 1.18 -5.27 -1.08 2.47 -1.93 -3.40 114.38 106.35 3ity h ARG 5 Ca 0.00 -0.21 -0.64 0.00 -1.26 0.00 0.00 59.98 57.87 3ity h ARG 5 Cb 0.00 -0.19 -0.21 0.00 -1.65 0.00 0.00 29.97 27.91 3ity h ARG 5 CO 0.00 0.95 -0.66 0.42 0.56 0.00 0.00 179.97 181.24 3ity s ILE 6 N -5.54 3.98 0.26 2.04 -1.09 -1.26 -5.01 121.20 114.58 3ity s ILE 6 Ca -0.12 -0.32 -0.31 0.00 -2.23 0.00 0.00 60.65 57.67 3ity s ILE 6 Cb 0.16 -2.76 -0.12 0.00 -1.58 0.00 0.00 42.46 38.16 3ity s ILE 6 CO 0.84 0.48 1.59 0.00 -1.23 0.00 0.00 174.94 176.62 3ity n ALA 7 N 3.65 2.29 -0.27 9.38 0.00 -1.26 -4.89 120.51 129.41 3ity n ALA 7 Ca -0.17 0.39 0.04 0.00 0.00 0.00 0.00 53.44 53.70 3ity n ALA 7 Cb 0.52 -2.44 0.26 0.00 0.00 0.00 0.00 19.45 17.80 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 5.19 0.95 -0.35 0.00 4.20 -1.98 -1.91 115.11 121.22 3ity h GLN 8 Ca -0.46 -0.06 -0.02 0.00 0.06 0.00 0.00 58.65 58.18 3ity h GLN 8 Cb 1.23 -0.21 -0.02 0.00 0.30 0.00 0.00 27.48 28.78 3ity h GLN 8 CO 0.83 0.63 0.12 0.38 -0.67 0.00 0.00 178.83 180.12 3ity h ASP 9 N 0.98 0.44 -0.19 1.46 2.03 -1.99 0.14 116.42 119.30 3ity h ASP 9 Ca 0.36 -0.04 -0.16 0.00 -0.73 0.00 0.00 57.03 56.46 3ity h ASP 9 Cb 0.18 -0.11 0.00 0.00 -0.83 0.00 0.00 39.33 38.57 3ity h ASP 9 CO -0.13 0.42 -0.50 0.58 -1.03 0.00 0.00 179.24 178.58 3ity h VAL 10 N 0.49 1.32 -0.41 4.15 2.07 -1.74 -0.46 116.25 121.67 3ity h VAL 10 Ca 0.12 -1.73 -0.01 0.00 0.82 0.00 0.00 66.70 65.90 3ity h VAL 10 Cb 0.13 1.91 -0.02 0.00 -1.52 0.00 0.00 31.29 31.79 3ity h VAL 10 CO -0.01 0.54 0.22 0.58 0.02 0.00 0.00 177.57 178.92 3ity h VAL 11 N 0.36 1.16 -0.45 2.57 2.07 -0.98 -0.74 116.25 120.23 3ity h VAL 11 Ca -0.01 -0.42 -0.04 0.00 0.82 0.00 0.00 66.70 67.05 3ity h VAL 11 Cb 1.11 0.68 -0.02 0.00 -1.52 0.00 0.00 31.29 31.55 3ity h VAL 11 CO 0.11 0.17 0.13 0.00 0.02 0.00 0.00 177.57 178.00 3ity h ALA 12 N 1.07 0.60 -0.49 1.67 0.00 -0.71 -1.65 119.26 119.75 3ity h ALA 12 Ca 0.14 -0.18 -0.03 0.00 0.00 0.00 0.00 54.91 54.84 3ity h ALA 12 Cb 0.07 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.66 3ity h ALA 12 CO -0.02 0.26 0.17 -0.09 0.00 0.00 0.00 179.25 179.57 3ity h ARG 13 N 0.60 0.75 0.00 0.00 2.43 -0.88 -1.01 114.38 116.28 3ity h ARG 13 Ca 0.15 -0.15 0.00 0.00 -0.81 0.00 0.00 59.98 59.16 3ity h ARG 13 Cb 0.28 -0.11 0.00 0.00 -0.42 0.00 0.00 29.97 29.72 3ity h ARG 13 CO -0.00 0.69 0.00 0.93 -1.51 0.00 0.00 179.97 180.08 3ity h GLU 14 N 0.66 0.00 0.06 0.20 4.39 -1.07 -2.15 114.58 116.67 3ity h GLU 14 Ca 0.16 0.00 -0.11 0.00 0.34 0.00 0.00 59.36 59.76 3ity h GLU 14 Cb 0.24 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.90 3ity h GLU 14 CO -0.01 0.00 -0.50 -0.91 -1.16 0.00 0.00 179.01 176.43 3ity h ASN 15 N 0.00 0.19 -0.50 1.42 -0.26 -0.98 -3.28 115.58 112.17 3ity h ASN 15 Ca 0.00 -0.93 0.01 0.00 -0.56 0.00 0.00 56.30 54.82 3ity h ASN 15 Cb 0.67 -0.06 -0.02 0.00 -1.06 0.00 0.00 38.32 37.84 3ity h ASN 15 CO 0.00 1.23 0.33 0.44 -1.06 0.00 0.00 177.43 178.37 3ity h ASP 16 N -0.73 0.56 0.13 5.81 3.32 -1.15 0.20 116.42 124.57 3ity h ASP 16 Ca -0.10 -0.01 -0.02 0.00 0.02 0.00 0.00 57.03 56.92 3ity h ASP 16 Cb 1.31 -0.14 -0.00 0.00 0.22 0.00 0.00 39.33 40.72 3ity h ASP 16 CO 0.04 0.40 -0.09 -0.09 -1.72 0.00 0.00 179.24 177.79 3ity h ARG 17 N 0.66 0.00 -0.03 3.56 2.43 -1.48 -2.87 114.38 116.65 3ity h ARG 17 Ca 0.18 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.35 3ity h ARG 17 Cb -0.06 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.49 3ity h ARG 17 CO -0.04 0.09 0.00 0.54 -1.51 0.00 0.00 179.97 179.05 3ity n ARG 18 N -4.12 0.27 -0.17 0.20 1.74 -0.53 -4.72 116.66 109.33 3ity n ARG 18 Ca -0.03 -1.02 -0.04 0.00 -0.77 0.00 0.00 57.85 56.00 3ity n ARG 18 Cb 0.17 -1.14 0.06 0.00 -1.02 0.00 0.00 32.46 30.53 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 1.42 0.68 0.30 7.54 0.00 -0.42 -2.00 119.26 126.77 3ity h ALA 19 Ca 0.00 0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.93 3ity h ALA 19 Cb 0.33 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 18.07 3ity h ALA 19 CO 0.00 -0.10 -0.17 1.03 0.00 0.00 0.00 179.25 180.00 3ity h SER 20 N 0.49 -0.42 -0.91 0.00 0.87 -1.85 -0.90 113.55 110.83 3ity h SER 20 Ca 0.24 0.02 -0.00 0.00 -1.23 0.00 0.00 61.79 60.82 3ity h SER 20 Cb 0.18 0.12 -0.04 0.00 -0.44 0.00 0.00 62.40 62.21 3ity h SER 20 CO -0.18 -0.28 0.56 0.00 -0.53 0.00 0.00 176.83 176.39 3ity h ALA 21 N 0.24 1.16 -0.69 6.23 0.00 -1.88 -2.23 119.26 122.10 3ity h ALA 21 Ca -0.03 -0.10 -0.02 0.00 0.00 0.00 0.00 54.91 54.76 3ity h ALA 21 Cb 0.36 -0.37 -0.03 0.00 0.00 0.00 0.00 17.79 17.75 3ity h ALA 21 CO 0.04 0.61 0.36 1.25 0.00 0.00 0.00 179.25 181.52 3ity h LEU 22 N 1.25 0.87 -0.56 0.00 5.85 -1.16 -0.80 115.31 120.76 3ity h LEU 22 Ca 0.33 -0.11 0.01 0.00 0.84 0.00 0.00 57.88 58.95 3ity h LEU 22 Cb -0.06 -0.22 -0.03 0.00 0.37 0.00 0.00 40.66 40.71 3ity h LEU 22 CO -0.06 0.73 0.36 0.50 -0.34 0.00 0.00 178.44 179.63 3ity h LYS 23 N 0.94 0.70 -0.16 1.25 3.64 -0.75 0.24 116.57 122.44 3ity h LYS 23 Ca 0.24 -0.04 -0.00 0.00 -1.27 0.00 0.00 60.65 59.57 3ity h LYS 23 Cb 0.07 -0.16 -0.01 0.00 -0.41 0.00 0.00 32.23 31.73 3ity h LYS 23 CO -0.04 0.46 0.08 0.93 -2.27 0.00 0.00 179.45 178.62 3ity h GLU 24 N 0.72 0.22 -0.40 1.90 4.39 -0.94 -1.54 114.58 118.93 3ity h GLU 24 Ca 0.21 -0.03 -0.13 0.00 0.34 0.00 0.00 59.36 59.76 3ity h GLU 24 Cb -0.04 -0.04 -0.01 0.00 -0.10 0.00 0.00 28.75 28.55 3ity h GLU 24 CO -0.06 0.23 -0.25 -0.44 -1.16 0.00 0.00 179.01 177.32 3ity h ASP 25 N 0.15 0.91 -0.58 1.42 3.32 -0.89 -1.58 116.42 119.16 3ity h ASP 25 Ca 0.05 -0.43 -0.04 0.00 0.02 0.00 0.00 57.03 56.64 3ity h ASP 25 Cb 0.08 -0.25 -0.03 0.00 0.22 0.00 0.00 39.33 39.35 3ity h ASP 25 CO -0.01 1.14 0.21 0.22 -1.72 0.00 0.00 179.24 179.08 3ity h TYR 26 N 0.68 0.91 -0.51 4.55 3.20 -0.50 -0.36 116.97 124.95 3ity h TYR 26 Ca 0.08 -0.08 -0.10 0.00 3.14 0.00 0.00 58.73 61.77 3ity h TYR 26 Cb 0.83 -0.27 -0.02 0.00 1.54 0.00 0.00 36.73 38.81 3ity h TYR 26 CO 0.06 0.75 -0.07 0.93 -1.64 0.00 0.00 178.16 178.19 3ity h GLU 27 N 0.81 0.94 -0.49 1.82 5.08 -1.25 0.66 114.58 122.15 3ity h GLU 27 Ca 0.19 -0.34 -0.03 0.00 -1.00 0.00 0.00 59.36 58.19 3ity h GLU 27 Cb 0.25 -0.07 -0.02 0.00 0.50 0.00 0.00 28.75 29.41 3ity h GLU 27 CO -0.01 1.00 0.21 0.00 -1.00 0.00 0.00 179.01 179.21 3ity h ALA 28 N 0.91 0.64 -0.42 3.43 0.00 -1.06 -1.49 119.26 121.27 3ity h ALA 28 Ca 0.13 -0.14 -0.12 0.00 0.00 0.00 0.00 54.91 54.78 3ity h ALA 28 Cb 0.62 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.21 3ity h ALA 28 CO 0.04 0.23 -0.21 1.25 0.00 0.00 0.00 179.25 180.57 3ity h LEU 29 N 0.65 0.84 -1.12 0.00 5.85 -0.93 -1.70 115.31 118.90 3ity h LEU 29 Ca 0.16 -0.30 -0.01 0.00 0.84 0.00 0.00 57.88 58.57 3ity h LEU 29 Cb 0.17 -0.23 -0.04 0.00 0.37 0.00 0.00 40.66 40.94 3ity h LEU 29 CO -0.02 1.02 0.40 1.23 -0.34 0.00 0.00 178.44 180.74 3ity h GLY 30 N 0.95 1.08 0.92 3.75 0.00 -0.55 0.44 103.07 109.67 3ity h GLY 30 Ca 0.10 -0.48 -0.11 0.00 0.00 0.00 0.00 47.33 46.84 3ity h GLY 30 CO 0.06 0.46 -0.29 0.00 0.00 0.00 0.00 176.54 176.77 3ity h ALA 31 N 1.42 0.36 -0.52 3.60 0.00 -1.03 -1.01 119.26 122.08 3ity h ALA 31 Ca 0.26 -0.40 -0.02 0.00 0.00 0.00 0.00 54.91 54.75 3ity h ALA 31 Cb 0.02 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 17.71 3ity h ALA 31 CO -0.04 0.37 0.26 -0.97 0.00 0.00 0.00 179.25 178.87 3ity h ASN 32 N 0.33 0.66 -0.26 0.00 -0.73 -0.94 -1.48 115.58 113.16 3ity h ASN 32 Ca 0.03 -0.12 -0.08 0.00 1.87 0.00 0.00 56.30 58.01 3ity h ASN 32 Cb 0.86 -0.17 -0.02 0.00 0.27 0.00 0.00 38.32 39.26 3ity h ASN 32 CO 0.07 0.59 -0.10 -0.07 -0.37 0.00 0.00 177.43 177.55 3ity h LEU 33 N 0.69 0.64 -0.45 0.34 3.38 -0.89 -2.68 115.31 116.34 3ity h LEU 33 Ca 0.18 -0.18 -0.00 0.00 0.09 0.00 0.00 57.88 57.97 3ity h LEU 33 Cb 0.09 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 40.65 3ity h LEU 33 CO -0.02 0.78 0.27 0.00 0.09 0.00 0.00 178.44 179.55 3ity h ALA 34 N 1.29 0.58 0.00 1.53 0.00 -0.72 0.14 119.26 122.08 3ity h ALA 34 Ca 0.11 -0.07 -0.00 0.00 0.00 0.00 0.00 54.91 54.95 3ity h ALA 34 Cb 0.53 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 18.13 3ity h ALA 34 CO 0.03 0.08 -0.00 0.00 0.00 0.00 0.00 179.25 179.36 3ity h ARG 35 N 0.60 0.00 -0.17 0.00 3.08 -0.97 0.94 114.38 117.85 3ity h ARG 35 Ca 0.16 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.21 3ity h ARG 35 Cb 0.01 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.06 3ity h ARG 35 CO -0.03 0.00 0.00 0.54 -1.07 0.00 0.00 179.97 179.41 3ity n ARG 36 N -3.10 2.17 -1.08 0.04 1.74 0.12 -4.94 116.66 111.61 3ity n ARG 36 Ca -0.03 -1.73 0.00 0.00 -0.77 0.00 0.00 57.85 55.32 3ity n ARG 36 Cb 0.09 -1.47 0.00 0.00 -1.02 0.00 0.00 32.46 30.06 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 1.33 0.39 3.37 -0.13 0.00 0.32 -5.04 105.19 105.43 3ity n GLY 37 Ca 0.17 -1.07 -0.32 0.00 0.00 0.00 0.00 46.02 44.80 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 2.63 -0.47 1.61 1.01 0.27 -4.99 120.40 118.46 3ity s VAL 38 Ca 0.00 -0.86 -0.18 0.00 0.00 0.00 0.00 61.98 60.94 3ity s VAL 38 Cb 0.00 -2.02 0.05 0.00 0.00 0.00 0.00 36.38 34.41 3ity s VAL 38 CO 0.00 0.57 0.51 -0.62 0.00 0.00 0.00 175.10 175.55 3ity s ASP 39 N -0.29 6.20 0.39 3.32 2.15 -1.26 -2.94 116.67 124.24 3ity s ASP 39 Ca 0.01 -0.93 0.14 0.00 0.43 0.00 0.00 52.55 52.20 3ity s ASP 39 Cb -0.13 -2.24 0.97 0.00 -0.30 0.00 0.00 42.92 41.22 3ity s ASP 39 CO 0.03 -0.73 1.87 -0.29 -0.17 0.00 0.00 175.17 175.88 3ity h ILE 40 N 5.79 0.75 -0.64 4.11 2.10 -1.92 -1.01 117.51 126.69 3ity h ILE 40 Ca -0.27 -0.18 0.00 0.00 1.08 0.00 0.00 64.86 65.49 3ity h ILE 40 Cb 1.10 0.18 -0.03 0.00 -1.09 0.00 0.00 36.82 36.98 3ity h ILE 40 CO 0.89 0.10 0.42 -0.33 -1.08 0.00 0.00 178.15 178.14 3ity h GLU 41 N 0.52 0.85 -0.18 2.19 4.39 -1.98 0.12 114.58 120.49 3ity h GLU 41 Ca 0.45 -0.05 -0.08 0.00 0.34 0.00 0.00 59.36 60.01 3ity h GLU 41 Cb 0.95 -0.19 -0.01 0.00 -0.10 0.00 0.00 28.75 29.40 3ity h GLU 41 CO -0.19 0.56 -0.26 0.00 -1.16 0.00 0.00 179.01 177.96 3ity h ALA 42 N 1.59 1.22 -0.02 3.43 0.00 -1.60 -1.07 119.26 122.82 3ity h ALA 42 Ca 0.23 -0.32 -0.03 0.00 0.00 0.00 0.00 54.91 54.79 3ity h ALA 42 Cb -0.09 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.60 3ity h ALA 42 CO -0.05 0.51 -0.12 0.28 0.00 0.00 0.00 179.25 179.87 3ity h VAL 43 N 0.30 1.52 -0.93 0.00 2.07 -1.23 -3.14 116.25 114.82 3ity h VAL 43 Ca 0.04 -1.69 0.04 0.00 0.82 0.00 0.00 66.70 65.91 3ity h VAL 43 Cb 0.63 2.58 -0.06 0.00 -1.52 0.00 0.00 31.29 32.92 3ity h VAL 43 CO 0.05 0.46 0.60 0.74 0.02 0.00 0.00 177.57 179.43 3ity h THR 44 N -0.52 1.14 -0.55 2.57 2.02 -0.89 -0.52 112.91 116.16 3ity h THR 44 Ca -0.01 -0.40 -0.01 0.00 0.77 0.00 0.00 66.41 66.76 3ity h THR 44 Cb 0.81 -0.12 -0.03 0.00 -1.74 0.00 0.00 68.15 67.07 3ity h THR 44 CO 0.02 0.21 0.31 0.00 0.37 0.00 0.00 175.52 176.43 3ity h ALA 45 N 1.39 1.50 0.20 6.16 0.00 -1.26 -1.42 119.26 125.84 3ity h ALA 45 Ca 0.38 -0.08 -0.31 0.00 0.00 0.00 0.00 54.91 54.89 3ity h ALA 45 Cb 0.03 -0.23 0.03 0.00 0.00 0.00 0.00 17.79 17.63 3ity h ALA 45 CO -0.13 0.42 -1.34 0.87 0.00 0.00 0.00 179.25 179.07 3ity h LYS 46 N 0.77 0.55 -0.95 0.00 1.57 -1.36 -3.32 116.57 113.83 3ity h LYS 46 Ca 0.20 -0.86 0.02 0.00 -1.87 0.00 0.00 60.65 58.14 3ity h LYS 46 Cb 0.01 0.31 -0.05 0.00 0.08 0.00 0.00 32.23 32.58 3ity h LYS 46 CO -0.03 1.41 0.62 0.28 -0.57 0.00 0.00 179.45 181.16 3ity h VAL 47 N 0.13 1.21 0.00 0.50 2.07 -0.81 -0.90 116.25 118.45 3ity h VAL 47 Ca -0.23 -0.43 0.00 0.00 0.82 0.00 0.00 66.70 66.87 3ity h VAL 47 Cb 2.04 -0.15 0.00 0.00 -1.52 0.00 0.00 31.29 31.66 3ity h VAL 47 CO 0.25 0.23 0.00 -1.84 0.02 0.00 0.00 177.57 176.23 3ity n GLU 48 N -4.45 0.13 -0.11 1.57 0.28 -0.56 -2.14 120.64 115.36 3ity n GLU 48 Ca 0.12 0.17 0.06 0.00 -0.16 0.00 0.00 57.16 57.35 3ity n GLU 48 Cb 0.05 -1.50 0.12 0.00 1.43 0.00 0.00 31.44 31.53 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 -1.39 1.93 -3.10 3.44 4.76 -0.38 -4.94 118.16 118.49 3ity n LYS 49 Ca 0.06 -1.72 -0.41 0.00 -2.87 0.00 0.00 58.31 53.37 3ity n LYS 49 Cb 0.16 -1.26 -0.06 0.00 -1.84 0.00 0.00 35.03 32.02 3ity n LYS 49 CO 0.00 0.00 0.00 0.12 -1.37 0.00 0.00 177.40 176.15 3ity s PHE 50 N -1.00 3.19 0.17 2.13 5.36 -0.91 -5.04 117.98 121.88 3ity s PHE 50 Ca 0.20 0.53 0.10 0.00 -0.96 0.00 0.00 56.93 56.80 3ity s PHE 50 Cb 0.12 -3.06 -0.04 0.00 -0.34 0.00 0.00 43.02 39.69 3ity s PHE 50 CO 0.16 -0.53 -0.16 -0.06 -1.46 0.00 0.00 175.22 173.17 3ity s PHE 51 N 2.68 2.50 -0.01 10.12 0.08 -1.26 -4.74 117.98 127.35 3ity s PHE 51 Ca 0.26 -0.28 -0.00 0.00 0.12 0.00 0.00 56.93 57.03 3ity s PHE 51 Cb -0.15 -1.25 0.02 0.00 -0.57 0.00 0.00 43.02 41.07 3ity s PHE 51 CO 0.13 0.48 0.02 0.54 -0.10 0.00 0.00 175.22 176.29 3ity s VAL 52 N -1.57 -0.03 0.39 -0.44 0.11 -0.21 -4.82 120.40 113.82 3ity s VAL 52 Ca 0.22 0.12 -0.26 0.00 -2.93 0.00 0.00 61.98 59.13 3ity s VAL 52 Cb -0.09 -0.05 -0.09 0.00 -1.53 0.00 0.00 36.38 34.62 3ity s VAL 52 CO 0.12 0.05 1.16 0.00 -3.33 0.00 0.00 175.10 173.11 3ity s ALA 53 N 0.59 3.18 -0.13 1.54 0.00 -0.28 -4.24 121.76 122.42 3ity s ALA 53 Ca -0.05 0.96 -0.06 0.00 0.00 0.00 0.00 51.96 52.81 3ity s ALA 53 Cb -0.07 -3.37 -0.04 0.00 0.00 0.00 0.00 23.12 19.64 3ity s ALA 53 CO -0.02 -0.49 0.07 0.08 0.00 0.00 0.00 175.76 175.40 3ity s VAL 54 N -1.40 4.92 0.05 0.00 1.01 -0.62 -0.89 120.40 123.47 3ity s VAL 54 Ca 0.56 -0.00 -0.30 0.00 0.00 0.00 0.00 61.98 62.24 3ity s VAL 54 Cb -0.31 -3.15 -0.04 0.00 0.00 0.00 0.00 36.38 32.88 3ity s VAL 54 CO 0.39 0.56 0.97 -2.16 0.00 0.00 0.00 175.10 174.85 3ity s PRO 55 N -0.49 4.62 0.41 2.72 0.04 -1.25 -0.81 135.00 140.24 3ity s PRO 55 Ca 0.10 1.43 0.10 0.00 0.04 0.00 0.00 61.00 62.68 3ity s PRO 55 Cb -0.12 -3.42 0.91 0.00 0.04 0.00 0.00 34.50 31.92 3ity s PRO 55 CO 0.02 0.08 1.98 0.66 0.04 0.00 0.00 177.00 179.78 3ity h SER 56 N 6.22 0.48 0.55 6.66 4.64 -1.66 -0.31 113.55 130.12 3ity h SER 56 Ca -0.42 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.91 3ity h SER 56 Cb 1.22 -0.10 0.00 0.00 -0.31 0.00 0.00 62.40 63.21 3ity h SER 56 CO 0.73 0.30 0.00 -2.67 -0.87 0.00 0.00 176.83 174.33 3ity n TRP 57 N -4.48 0.00 0.33 4.77 2.14 -1.26 -3.50 117.44 115.44 3ity n TRP 57 Ca 0.09 0.00 0.13 0.00 2.07 0.00 0.00 57.50 59.79 3ity n TRP 57 Cb 0.28 -0.33 0.26 0.00 -0.81 0.00 0.00 31.31 30.71 3ity n TRP 57 CO 0.00 0.00 0.00 0.78 2.07 0.00 0.00 177.69 180.54 3ity h GLY 58 N 4.10 0.00 1.21 -1.67 0.00 -1.32 -3.27 103.07 102.12 3ity h GLY 58 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 3ity h GLY 58 CO 0.00 0.00 -0.10 3.33 0.00 0.00 0.00 176.54 179.77 3ity n VAL 59 N -2.87 0.00 -3.82 4.60 0.24 -1.23 -4.74 118.33 110.50 3ity n VAL 59 Ca 0.04 -0.03 -0.27 0.00 -2.04 0.00 0.00 64.34 62.04 3ity n VAL 59 Cb 0.49 -0.21 -0.03 0.00 -1.47 0.00 0.00 33.84 32.61 3ity n VAL 59 CO 0.00 0.00 0.00 -0.83 -2.14 0.00 0.00 176.83 173.86 3ity s GLY 60 N -2.61 1.79 0.21 7.63 0.00 -1.23 -4.66 107.32 108.44 3ity s GLY 60 Ca 0.25 -0.92 -0.30 0.00 0.00 0.00 0.00 44.72 43.76 3ity s GLY 60 CO 0.50 -0.89 1.36 -1.59 0.00 0.00 0.00 173.10 172.47 3ity s THR 61 N -1.79 3.02 0.66 0.90 2.01 -1.26 -4.63 115.64 114.56 3ity s THR 61 Ca 0.36 0.84 0.00 0.00 0.31 0.00 0.00 61.69 63.21 3ity s THR 61 Cb -0.11 -3.54 0.09 0.00 0.01 0.00 0.00 72.50 68.95 3ity s THR 61 CO 0.29 0.13 0.92 -0.83 -0.69 0.00 0.00 174.62 174.43 3ity s GLY 62 N 0.38 1.78 0.36 4.40 0.00 -0.26 -4.94 107.32 109.03 3ity s GLY 62 Ca 0.58 -1.59 -0.07 0.00 0.00 0.00 0.00 44.72 43.64 3ity s GLY 62 CO 0.39 -1.12 0.59 0.61 0.00 0.00 0.00 173.10 173.57 3ity n GLY 63 N -2.66 1.69 3.59 0.20 0.00 -1.26 -4.27 105.19 102.47 3ity n GLY 63 Ca 0.13 -1.46 -0.30 0.00 0.00 0.00 0.00 46.02 44.38 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 -0.54 0.00 0.39 2.61 -2.24 -0.39 -4.99 114.28 109.11 3ity n THR 64 Ca -0.03 -2.28 0.10 0.00 -2.27 0.00 0.00 64.05 59.56 3ity n THR 64 Cb 0.57 0.34 0.41 0.00 -2.10 0.00 0.00 70.33 69.55 3ity n THR 64 CO 0.00 0.00 0.00 -2.11 -0.57 0.00 0.00 175.07 172.39 3ity n ARG 65 N -1.37 0.12 -0.02 -0.78 1.85 -1.26 -2.71 116.66 112.49 3ity n ARG 65 Ca -0.16 0.39 -0.12 0.00 -1.00 0.00 0.00 57.85 56.96 3ity n ARG 65 Cb 0.62 -1.74 -0.14 0.00 -1.05 0.00 0.00 32.46 30.15 3ity n ARG 65 CO 0.00 0.00 0.00 1.19 -0.01 0.00 0.00 177.63 178.81 3ity n PHE 66 N -1.96 1.02 -3.63 2.89 3.72 -1.26 -5.04 117.46 113.20 3ity n PHE 66 Ca 0.02 0.32 -0.02 0.00 -0.05 0.00 0.00 57.45 57.73 3ity n PHE 66 Cb 0.18 -1.17 -0.02 0.00 -0.94 0.00 0.00 39.48 37.53 3ity n PHE 66 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 3ity s ALA 67 N -2.58 -2.22 -0.08 4.37 0.00 -1.10 -5.14 121.76 115.01 3ity s ALA 67 Ca -0.09 1.77 0.00 0.00 0.00 0.00 0.00 51.96 53.64 3ity s ALA 67 Cb 0.08 -0.29 0.02 0.00 0.00 0.00 0.00 23.12 22.92 3ity s ALA 67 CO 0.81 -0.61 -0.07 0.50 0.00 0.00 0.00 175.76 176.39 3ity s ARG 68 N -2.09 1.35 -0.75 0.00 3.52 -1.26 -1.27 118.95 118.45 3ity s ARG 68 Ca 0.12 -0.23 -0.01 0.00 -0.13 0.00 0.00 55.73 55.48 3ity s ARG 68 Cb -0.00 -1.33 0.19 0.00 -1.56 0.00 0.00 34.95 32.24 3ity s ARG 68 CO -0.03 -0.16 0.59 -0.06 -0.81 0.00 0.00 175.30 174.83 3ity s PHE 69 N 1.31 3.62 0.58 5.12 0.08 -1.26 -5.06 117.98 122.38 3ity s PHE 69 Ca -0.03 -2.94 -0.20 0.00 0.12 0.00 0.00 56.93 53.88 3ity s PHE 69 Cb -0.14 -3.15 -0.03 0.00 -0.57 0.00 0.00 43.02 39.13 3ity s PHE 69 CO -0.03 -0.76 1.33 -1.25 -0.10 0.00 0.00 175.22 174.41 3ity s PRO 70 N -0.79 2.92 0.00 0.24 0.04 -1.26 -4.95 135.00 131.21 3ity s PRO 70 Ca 0.22 2.15 0.00 0.00 0.04 0.00 0.00 61.00 63.41 3ity s PRO 70 Cb -0.13 -2.09 0.00 0.00 0.04 0.00 0.00 34.50 32.32 3ity s PRO 70 CO -0.09 -1.33 0.00 0.41 0.04 0.00 0.00 177.00 176.03 3ity n GLY 71 N 0.77 1.38 3.91 0.56 0.00 -1.26 -5.09 105.19 105.46 3ity n GLY 71 Ca 0.12 -1.96 -0.28 0.00 0.00 0.00 0.00 46.02 43.91 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 1.59 5.00 -1.40 2.61 -4.23 -1.26 -4.35 115.64 113.60 3ity s THR 72 Ca 0.00 0.03 -0.10 0.00 -1.18 0.00 0.00 61.69 60.45 3ity s THR 72 Cb 0.00 -3.77 0.02 0.00 1.34 0.00 0.00 72.50 70.09 3ity s THR 72 CO 0.00 -0.45 1.11 0.61 -0.54 0.00 0.00 174.62 175.35 3ity n GLY 73 N -1.30 -0.54 3.72 3.99 0.00 -1.26 -4.78 105.19 105.02 3ity n GLY 73 Ca -0.02 0.24 -0.42 0.00 0.00 0.00 0.00 46.02 45.82 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 -6.33 4.19 0.15 1.61 0.41 -1.26 -4.75 118.70 112.73 3ity s GLU 74 Ca 0.58 2.43 -0.30 0.00 -0.41 0.00 0.00 54.97 57.27 3ity s GLU 74 Cb -0.26 -3.13 -0.07 0.00 -1.78 0.00 0.00 34.13 28.88 3ity s GLU 74 CO 0.72 -0.64 1.16 -1.25 -0.49 0.00 0.00 175.26 174.77 3ity s PRO 75 N 1.05 4.51 -0.21 0.39 0.04 -1.26 -4.96 135.00 134.56 3ity s PRO 75 Ca 0.71 1.79 0.02 0.00 0.04 0.00 0.00 61.00 63.56 3ity s PRO 75 Cb -0.45 -3.28 0.04 0.00 0.04 0.00 0.00 34.50 30.84 3ity s PRO 75 CO 0.32 -0.07 -0.16 1.03 0.04 0.00 0.00 177.00 178.16 3ity s ARG 76 N 0.03 2.67 0.00 4.56 1.81 -1.26 -4.85 118.95 121.91 3ity s ARG 76 Ca 0.53 -1.00 0.00 0.00 -1.72 0.00 0.00 55.73 53.54 3ity s ARG 76 Cb -0.31 -2.66 0.00 0.00 -0.45 0.00 0.00 34.95 31.53 3ity s ARG 76 CO 0.34 -0.35 0.00 0.41 -0.68 0.00 0.00 175.30 175.03 3ity n GLY 77 N 4.56 -0.29 0.27 -3.53 0.00 -1.26 -4.25 105.19 100.68 3ity n GLY 77 Ca -0.18 -1.64 0.08 0.00 0.00 0.00 0.00 46.02 44.29 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 0.00 0.99 -0.35 -0.61 6.09 -1.89 -2.34 117.51 119.40 3ity h ILE 78 Ca 0.00 -0.01 -0.09 0.00 -1.37 0.00 0.00 64.86 63.40 3ity h ILE 78 Cb 0.00 0.97 -0.01 0.00 0.47 0.00 0.00 36.82 38.25 3ity h ILE 78 CO 0.00 0.00 -0.13 -0.26 -3.07 0.00 0.00 178.15 174.69 3ity h PHE 79 N 0.02 0.80 -0.58 2.19 0.04 -1.97 0.13 116.94 117.56 3ity h PHE 79 Ca 0.02 -0.19 -0.07 0.00 2.80 0.00 0.00 57.97 60.53 3ity h PHE 79 Cb 0.05 -0.19 -0.02 0.00 2.20 0.00 0.00 35.95 37.98 3ity h PHE 79 CO -0.00 0.88 0.10 -0.44 -0.60 0.00 0.00 178.31 178.25 3ity h ASP 80 N 0.48 0.92 -0.53 2.17 3.32 -1.68 -2.25 116.42 118.85 3ity h ASP 80 Ca 0.08 -0.26 -0.02 0.00 0.02 0.00 0.00 57.03 56.86 3ity h ASP 80 Cb 0.65 -0.24 -0.02 0.00 0.22 0.00 0.00 39.33 39.94 3ity h ASP 80 CO 0.04 0.94 0.27 0.11 -1.72 0.00 0.00 179.24 178.89 3ity h LYS 81 N 0.86 0.75 -0.77 3.56 1.57 -1.20 -1.96 116.57 119.38 3ity h LYS 81 Ca 0.18 -0.10 -0.04 0.00 -1.87 0.00 0.00 60.65 58.81 3ity h LYS 81 Cb 0.41 -0.14 -0.03 0.00 0.08 0.00 0.00 32.23 32.55 3ity h LYS 81 CO 0.01 0.61 0.32 -0.07 -0.57 0.00 0.00 179.45 179.75 3ity h LEU 82 N 0.71 1.05 -0.97 2.94 3.38 -0.64 0.24 115.31 122.02 3ity h LEU 82 Ca 0.18 -0.15 0.05 0.00 0.09 0.00 0.00 57.88 58.06 3ity h LEU 82 Cb 0.09 -0.27 -0.06 0.00 0.09 0.00 0.00 40.66 40.51 3ity h LEU 82 CO -0.03 0.92 0.63 0.44 0.09 0.00 0.00 178.44 180.49 3ity h ASP 83 N 1.12 1.02 0.36 -0.43 3.32 -0.97 -0.74 116.42 120.10 3ity h ASP 83 Ca 0.26 0.00 -0.22 0.00 0.02 0.00 0.00 57.03 57.09 3ity h ASP 83 Cb 0.19 -0.22 0.00 0.00 0.22 0.00 0.00 39.33 39.52 3ity h ASP 83 CO -0.02 0.67 -0.93 0.44 -1.72 0.00 0.00 179.24 177.68 3ity h ASP 84 N 1.17 0.50 0.26 6.45 3.32 -0.71 -3.12 116.42 124.29 3ity h ASP 84 Ca 0.40 -0.40 -0.05 0.00 0.02 0.00 0.00 57.03 57.00 3ity h ASP 84 Cb 0.09 -0.15 -0.01 0.00 0.22 0.00 0.00 39.33 39.48 3ity h ASP 84 CO -0.15 1.20 -0.22 0.00 -1.72 0.00 0.00 179.24 178.35 3ity h ALA 86 N 1.78 1.54 -0.39 0.00 0.00 -1.09 -2.30 119.26 118.80 3ity h ALA 86 Ca -0.00 -0.19 -0.05 0.00 0.00 0.00 0.00 54.91 54.66 3ity h ALA 86 Cb 0.41 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.11 3ity h ALA 86 CO 0.03 0.33 0.04 0.28 0.00 0.00 0.00 179.25 179.93 3ity h VAL 87 N 0.21 1.25 -0.34 0.00 2.07 -1.42 -0.29 116.25 117.73 3ity h VAL 87 Ca 0.04 -0.92 0.01 0.00 0.82 0.00 0.00 66.70 66.65 3ity h VAL 87 Cb 0.35 1.09 -0.02 0.00 -1.52 0.00 0.00 31.29 31.19 3ity h VAL 87 CO 0.02 0.31 0.22 0.40 0.02 0.00 0.00 177.57 178.54 3ity h ILE 88 N 0.50 1.08 -0.36 4.57 2.04 -1.42 -1.61 117.51 122.31 3ity h ILE 88 Ca 0.12 -0.15 -0.05 0.00 1.00 0.00 0.00 64.86 65.77 3ity h ILE 88 Cb 0.41 0.59 -0.01 0.00 -0.74 0.00 0.00 36.82 37.06 3ity h ILE 88 CO 0.01 0.08 0.03 -0.61 0.00 0.00 0.00 178.15 177.66 3ity h GLN 89 N 0.45 0.61 -0.70 2.37 5.75 -1.31 -0.05 115.11 122.23 3ity h GLN 89 Ca 0.13 -0.18 0.00 0.00 -0.15 0.00 0.00 58.65 58.45 3ity h GLN 89 Cb -0.04 -0.06 -0.03 0.00 1.07 0.00 0.00 27.48 28.41 3ity h GLN 89 CO -0.03 0.70 0.45 0.37 -2.65 0.00 0.00 178.83 177.67 3ity h GLN 90 N 0.43 0.92 0.13 1.69 4.15 -0.88 0.55 115.11 122.10 3ity h GLN 90 Ca 0.10 -0.06 -0.28 0.00 0.77 0.00 0.00 58.65 59.18 3ity h GLN 90 Cb 0.41 -0.21 0.00 0.00 0.21 0.00 0.00 27.48 27.90 3ity h GLN 90 CO 0.01 0.62 -1.33 -0.07 -1.93 0.00 0.00 178.83 176.13 3ity h LEU 91 N 0.95 0.42 0.00 -2.39 3.38 -1.22 -3.35 115.31 113.09 3ity h LEU 91 Ca 0.25 -0.48 -0.23 0.00 0.09 0.00 0.00 57.88 57.51 3ity h LEU 91 Cb -0.09 -0.14 -0.04 0.00 0.09 0.00 0.00 40.66 40.48 3ity h LEU 91 CO -0.05 1.38 -2.17 0.35 0.09 0.00 0.00 178.44 178.05 3ity n THR 92 N -3.51 0.87 -1.60 0.22 -2.24 -0.04 -1.34 114.28 106.64 3ity n THR 92 Ca -0.11 -0.69 -0.21 0.00 -2.27 0.00 0.00 64.05 60.78 3ity n THR 92 Cb 1.03 -0.33 -0.09 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 -2.53 -1.45 0.00 -0.78 5.12 0.19 -4.80 116.66 112.40 3ity n ARG 93 Ca -0.22 1.22 0.05 0.00 -1.93 0.00 0.00 57.85 56.97 3ity n ARG 93 Cb 0.92 -5.61 0.02 0.00 -1.16 0.00 0.00 32.46 26.64 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 1.34 2.64 -3.11 7.54 0.00 -1.26 -4.75 120.51 122.91 3ity n ALA 94 Ca -0.21 -0.52 -0.22 0.00 0.00 0.00 0.00 53.44 52.49 3ity n ALA 94 Cb 0.68 -0.36 -0.04 0.00 0.00 0.00 0.00 19.45 19.73 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 0.22 1.11 0.34 0.00 -2.24 -1.26 -1.04 114.28 111.41 3ity n THR 95 Ca 0.05 -4.95 0.13 0.00 -2.27 0.00 0.00 64.05 57.01 3ity n THR 95 Cb 0.24 -0.88 0.56 0.00 -2.10 0.00 0.00 70.33 68.16 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 3.12 0.00 -6.50 -0.78 0.13 -1.85 -3.41 132.00 122.70 3ity h PRO 96 Ca 0.11 0.00 -0.67 0.00 -0.87 0.00 0.00 66.00 64.58 3ity h PRO 96 Cb 0.78 0.00 -0.28 0.00 0.13 0.00 0.00 31.00 31.63 3ity h PRO 96 CO 0.63 0.00 -0.87 -0.80 -0.23 0.00 0.00 178.00 176.73 3ity s ASN 97 N -4.47 2.93 -0.07 1.44 0.01 -1.26 -0.26 114.94 113.25 3ity s ASN 97 Ca 0.02 -0.51 0.02 0.00 -0.71 0.00 0.00 52.86 51.68 3ity s ASN 97 Cb 0.09 -0.29 -0.03 0.00 0.41 0.00 0.00 41.25 41.43 3ity s ASN 97 CO 0.39 0.26 -0.12 -0.69 -1.51 0.00 0.00 177.10 175.43 3ity s VAL 98 N -0.69 3.25 -0.22 1.60 1.01 -0.02 -1.59 120.40 123.74 3ity s VAL 98 Ca 0.10 -0.64 -0.12 0.00 0.00 0.00 0.00 61.98 61.32 3ity s VAL 98 Cb -0.10 -2.31 -0.05 0.00 0.00 0.00 0.00 36.38 33.93 3ity s VAL 98 CO 0.01 0.58 0.22 -0.55 0.00 0.00 0.00 175.10 175.36 3ity s SER 99 N -0.55 6.22 0.26 3.32 0.15 0.01 -0.20 113.70 122.92 3ity s SER 99 Ca 0.08 0.25 -0.04 0.00 0.70 0.00 0.00 55.95 56.94 3ity s SER 99 Cb -0.12 -2.14 -0.05 0.00 -1.71 0.00 0.00 66.02 62.01 3ity s SER 99 CO 0.02 0.04 0.50 -0.76 1.20 0.00 0.00 173.24 174.24 3ity s LEU 100 N 1.01 4.11 -0.10 3.45 1.43 -1.23 -1.57 118.68 125.78 3ity s LEU 100 Ca 0.11 0.62 0.02 0.00 -1.03 0.00 0.00 54.13 53.85 3ity s LEU 100 Cb -0.13 -3.42 0.01 0.00 0.03 0.00 0.00 46.19 42.67 3ity s LEU 100 CO 0.05 -0.15 -0.17 -2.28 0.23 0.00 0.00 176.35 174.03 3ity s HIS 101 N -2.01 2.02 -0.06 0.29 2.46 -1.26 -0.85 115.29 115.88 3ity s HIS 101 Ca 0.42 -0.88 0.01 0.00 0.47 0.00 0.00 55.06 55.08 3ity s HIS 101 Cb -0.11 -1.43 -0.03 0.00 -0.13 0.00 0.00 32.58 30.89 3ity s HIS 101 CO 0.29 -0.42 -0.06 0.42 -2.47 0.00 0.00 174.74 172.50 3ity s ILE 102 N 0.75 3.77 -2.13 0.89 -1.09 -0.52 0.27 121.20 123.13 3ity s ILE 102 Ca -0.11 -0.49 0.21 0.00 -2.23 0.00 0.00 60.65 58.03 3ity s ILE 102 Cb -0.16 -2.56 0.54 0.00 -1.58 0.00 0.00 42.46 38.71 3ity s ILE 102 CO 0.02 0.58 1.71 -0.81 -1.23 0.00 0.00 174.94 175.21 3ity n PRO 103 N 2.13 1.29 -0.24 2.79 -0.04 -1.26 -2.57 135.00 137.10 3ity n PRO 103 Ca -0.18 -0.43 0.03 0.00 -0.04 0.00 0.00 63.50 62.88 3ity n PRO 103 Cb 0.53 -1.36 0.16 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 0.90 0.53 -0.58 0.54 6.55 -1.90 -2.22 115.95 119.77 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 0.20 -0.13 0.00 0.00 -0.86 0.00 0.00 29.16 28.37 3ity h TRP 104 CO 0.03 0.13 0.00 -0.25 -1.05 0.00 0.00 178.44 177.30 3ity n ASP 105 N -4.95 4.79 -4.69 -3.49 8.00 0.14 -4.62 116.55 111.73 3ity n ASP 105 Ca 0.12 -2.58 -0.42 0.00 0.71 0.00 0.00 54.79 52.62 3ity n ASP 105 Cb 0.34 -0.60 -0.03 0.00 -0.02 0.00 0.00 41.12 40.81 3ity n ASP 105 CO 0.00 0.00 0.00 -0.75 -0.39 0.00 0.00 177.20 176.06 3ity s LYS 106 N -2.13 4.13 0.19 -1.24 2.20 -0.84 -4.85 119.74 117.21 3ity s LYS 106 Ca 0.48 2.61 -0.23 0.00 -0.36 0.00 0.00 55.97 58.47 3ity s LYS 106 Cb 0.33 -3.56 0.05 0.00 -1.51 0.00 0.00 37.83 33.15 3ity s LYS 106 CO 0.20 -0.84 0.79 0.00 -0.36 0.00 0.00 175.35 175.14 3ity s ALA 107 N 2.63 -1.47 0.05 3.13 0.00 -1.26 -4.98 121.76 119.85 3ity s ALA 107 Ca 0.81 0.08 -0.30 0.00 0.00 0.00 0.00 51.96 52.54 3ity s ALA 107 Cb -0.47 0.75 -0.09 0.00 0.00 0.00 0.00 23.12 23.31 3ity s ALA 107 CO 0.36 -0.97 1.94 0.34 0.00 0.00 0.00 175.76 177.44 3ity s ASP 108 N -2.86 6.45 0.25 0.00 2.15 -1.26 -4.87 116.67 116.54 3ity s ASP 108 Ca 0.09 2.68 -0.04 0.00 0.43 0.00 0.00 52.55 55.71 3ity s ASP 108 Cb -0.03 -2.54 0.51 0.00 -0.30 0.00 0.00 42.92 40.56 3ity s ASP 108 CO 0.01 -1.04 1.68 -0.65 -0.17 0.00 0.00 175.17 174.99 3ity h PRO 109 N 10.26 0.25 -0.69 4.34 0.11 -1.95 0.09 132.00 144.41 3ity h PRO 109 Ca -0.49 -0.02 0.01 0.00 0.11 0.00 0.00 66.00 65.62 3ity h PRO 109 Cb 1.23 -0.06 -0.04 0.00 0.11 0.00 0.00 31.00 32.25 3ity h PRO 109 CO 0.94 0.17 0.46 0.87 -0.21 0.00 0.00 178.00 180.22 3ity h LYS 110 N 0.26 0.89 -0.09 1.05 1.57 -1.89 0.15 116.57 118.50 3ity h LYS 110 Ca 0.44 -0.05 -0.17 0.00 -1.87 0.00 0.00 60.65 59.00 3ity h LYS 110 Cb 0.78 -0.20 -0.01 0.00 0.08 0.00 0.00 32.23 32.88 3ity h LYS 110 CO -0.54 0.59 -0.68 0.93 -0.57 0.00 0.00 179.45 179.18 3ity h GLU 111 N 0.91 0.40 -0.04 3.15 5.08 -1.41 -0.93 114.58 121.74 3ity h GLU 111 Ca 0.26 -0.30 -0.01 0.00 -1.00 0.00 0.00 59.36 58.31 3ity h GLU 111 Cb -0.07 0.06 -0.00 0.00 0.50 0.00 0.00 28.75 29.23 3ity h GLU 111 CO -0.06 0.93 -0.01 -0.07 -1.00 0.00 0.00 179.01 178.80 3ity h LEU 112 N 0.28 0.08 -0.75 1.33 3.38 -0.30 -1.15 115.31 118.18 3ity h LEU 112 Ca -0.02 -0.34 0.00 0.00 0.09 0.00 0.00 57.88 57.61 3ity h LEU 112 Cb 1.23 -0.02 -0.04 0.00 0.09 0.00 0.00 40.66 41.92 3ity h LEU 112 CO 0.12 0.40 0.48 0.50 0.09 0.00 0.00 178.44 180.03 3ity h LYS 113 N -0.25 1.00 -0.63 1.13 1.63 -0.74 -0.27 116.57 118.44 3ity h LYS 113 Ca 0.01 -0.07 -0.02 0.00 -0.85 0.00 0.00 60.65 59.72 3ity h LYS 113 Cb 0.37 -0.22 -0.03 0.00 -0.60 0.00 0.00 32.23 31.75 3ity h LYS 113 CO 0.00 0.67 0.32 0.00 -3.45 0.00 0.00 179.45 176.99 3ity h ALA 114 N 1.26 0.81 -0.36 5.00 0.00 -1.08 -1.65 119.26 123.24 3ity h ALA 114 Ca 0.27 -0.12 -0.14 0.00 0.00 0.00 0.00 54.91 54.92 3ity h ALA 114 Cb -0.09 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.44 3ity h ALA 114 CO -0.06 0.35 -0.32 -0.09 0.00 0.00 0.00 179.25 179.13 3ity h ARG 115 N 0.86 0.79 0.18 0.00 9.65 -0.76 -2.35 114.38 122.76 3ity h ARG 115 Ca 0.22 -0.37 -0.01 0.00 -1.10 0.00 0.00 59.98 58.72 3ity h ARG 115 Cb 0.09 -0.01 0.00 0.00 -1.39 0.00 0.00 29.97 28.66 3ity h ARG 115 CO -0.03 1.00 -0.09 0.78 2.80 0.00 0.00 179.97 184.43 3ity h GLY 116 N 0.93 -0.26 0.72 2.80 0.00 -0.80 -1.94 103.07 104.52 3ity h GLY 116 Ca 0.07 0.10 0.07 0.00 0.00 0.00 0.00 47.33 47.56 3ity h GLY 116 CO 0.08 -0.09 0.59 -0.55 0.00 0.00 0.00 176.54 176.56 3ity h ASP 117 N -0.33 0.94 -0.06 0.19 3.32 -1.29 0.12 116.42 119.32 3ity h ASP 117 Ca -0.03 0.01 -0.05 0.00 0.02 0.00 0.00 57.03 56.99 3ity h ASP 117 Cb 0.25 -0.18 -0.01 0.00 0.22 0.00 0.00 39.33 39.61 3ity h ASP 117 CO 0.04 0.60 -0.10 0.00 -1.72 0.00 0.00 179.24 178.06 3ity h ALA 118 N 1.43 1.45 -0.01 3.45 0.00 -1.24 -2.65 119.26 121.69 3ity h ALA 118 Ca 0.41 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 55.11 3ity h ALA 118 Cb 0.18 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.86 3ity h ALA 118 CO -0.18 0.39 -0.37 1.28 0.00 0.00 0.00 179.25 180.37 3ity n LEU 119 N -4.27 1.12 -0.30 0.00 4.77 -0.65 -4.95 117.00 112.73 3ity n LEU 119 Ca -0.00 -0.32 -0.01 0.00 -0.03 0.00 0.00 56.01 55.64 3ity n LEU 119 Cb 0.27 -0.11 0.00 0.00 -2.33 0.00 0.00 43.42 41.24 3ity n LEU 119 CO 0.38 0.22 -0.01 0.61 -1.33 0.00 0.00 177.39 177.27 3ity n GLY 120 N 1.38 0.49 3.26 -0.72 0.00 -0.19 -4.91 105.19 104.51 3ity n GLY 120 Ca 0.10 -0.78 -0.29 0.00 0.00 0.00 0.00 46.02 45.06 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 -0.64 2.05 0.53 0.99 1.43 0.25 -4.91 118.68 118.39 3ity s LEU 121 Ca 0.01 -0.42 0.08 0.00 -1.03 0.00 0.00 54.13 52.76 3ity s LEU 121 Cb -0.00 -1.18 0.05 0.00 0.03 0.00 0.00 46.19 45.08 3ity s LEU 121 CO 0.01 0.28 0.56 -0.83 0.23 0.00 0.00 176.35 176.60 3ity s GLY 122 N -0.58 2.06 -0.12 -3.19 0.00 0.64 -3.81 107.32 102.32 3ity s GLY 122 Ca 0.09 -1.73 0.02 0.00 0.00 0.00 0.00 44.72 43.11 3ity s GLY 122 CO -0.01 -1.78 -0.20 -1.36 0.00 0.00 0.00 173.10 169.75 3ity s PHE 123 N -2.66 2.65 0.00 1.90 0.08 -1.26 -0.84 117.98 117.85 3ity s PHE 123 Ca 0.48 -0.97 0.00 0.00 0.12 0.00 0.00 56.93 56.57 3ity s PHE 123 Cb -0.04 -1.77 0.00 0.00 -0.57 0.00 0.00 43.02 40.64 3ity s PHE 123 CO 0.30 -0.39 0.00 -3.47 -0.10 0.00 0.00 175.22 171.56 3ity n ASP 124 N 3.61 0.00 -4.70 1.36 2.03 0.72 -4.11 116.55 115.46 3ity n ASP 124 Ca -0.19 0.00 -0.42 0.00 0.52 0.00 0.00 54.79 54.70 3ity n ASP 124 Cb 0.53 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.93 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 1.31 -1.92 -1.67 0.00 -1.26 -4.54 120.51 109.43 3ity n ALA 125 Ca 0.00 0.31 -0.33 0.00 0.00 0.00 0.00 53.44 53.43 3ity n ALA 125 Cb 0.00 -2.26 -0.07 0.00 0.00 0.00 0.00 19.45 17.12 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 -2.04 4.14 -0.14 0.00 -1.94 0.19 -3.54 119.30 115.97 3ity s MET 126 Ca 0.58 0.97 0.01 0.00 -1.71 0.00 0.00 55.69 55.53 3ity s MET 126 Cb -0.54 -2.25 0.02 0.00 2.01 0.00 0.00 34.83 34.07 3ity s MET 126 CO 0.60 0.01 -0.14 -0.80 -0.01 0.00 0.00 175.02 174.68 3ity s ASN 127 N -2.27 2.63 0.53 3.03 0.01 -0.03 0.01 114.94 118.85 3ity s ASN 127 Ca 0.59 -0.47 -0.07 0.00 -0.71 0.00 0.00 52.86 52.20 3ity s ASN 127 Cb -0.09 -1.16 -0.04 0.00 0.41 0.00 0.00 41.25 40.37 3ity s ASN 127 CO 0.15 -0.04 0.87 -0.94 -1.51 0.00 0.00 177.10 175.63 3ity s SER 128 N 1.38 6.25 -0.35 -1.22 1.04 -1.13 -1.44 113.70 118.22 3ity s SER 128 Ca 0.02 1.08 0.00 0.00 0.48 0.00 0.00 55.95 57.54 3ity s SER 128 Cb -0.13 -2.32 0.12 0.00 0.10 0.00 0.00 66.02 63.79 3ity s SER 128 CO -0.09 -0.68 0.15 0.21 0.98 0.00 0.00 173.24 173.82 3ity s ASN 129 N -4.13 3.76 -0.21 7.02 3.84 -1.06 -4.70 114.94 119.46 3ity s ASN 129 Ca 0.50 -1.98 0.13 0.00 0.21 0.00 0.00 52.86 51.72 3ity s ASN 129 Cb -0.11 -0.83 0.44 0.00 -0.55 0.00 0.00 41.25 40.20 3ity s ASN 129 CO 0.48 -0.36 1.20 0.35 -2.79 0.00 0.00 177.10 175.97 3ity n THR 130 N 4.38 1.92 -0.26 -5.21 -2.24 -1.26 -4.60 114.28 107.02 3ity n THR 130 Ca 0.03 -3.18 0.04 0.00 -2.27 0.00 0.00 64.05 58.67 3ity n THR 130 Cb 0.39 -0.20 0.12 0.00 -2.10 0.00 0.00 70.33 68.54 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 -0.75 0.35 -3.55 4.78 1.16 -1.26 -4.60 117.46 113.59 3ity n PHE 131 Ca 0.23 -0.57 -0.11 0.00 -1.87 0.00 0.00 57.45 55.14 3ity n PHE 131 Cb 0.84 -0.07 -0.03 0.00 -1.61 0.00 0.00 39.48 38.61 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 -1.20 -0.40 -0.15 5.98 1.04 -1.26 -4.93 113.70 112.78 3ity s SER 132 Ca 0.19 -0.19 -0.06 0.00 0.48 0.00 0.00 55.95 56.36 3ity s SER 132 Cb 0.12 0.56 -0.04 0.00 0.10 0.00 0.00 66.02 66.75 3ity s SER 132 CO 0.10 -0.95 0.07 -1.81 0.98 0.00 0.00 173.24 171.63 3ity s ASP 133 N -2.79 5.77 0.12 7.02 1.01 -1.26 -4.81 116.67 121.73 3ity s ASP 133 Ca 0.03 0.19 -0.02 0.00 0.71 0.00 0.00 52.55 53.47 3ity s ASP 133 Cb -0.00 -1.90 -0.05 0.00 1.01 0.00 0.00 42.92 41.98 3ity s ASP 133 CO -0.11 0.27 0.31 0.00 0.21 0.00 0.00 175.17 175.85 3ity s ALA 134 N -0.18 3.90 0.38 5.23 0.00 -1.26 -5.05 121.76 124.78 3ity s ALA 134 Ca 0.08 -0.76 -0.26 0.00 0.00 0.00 0.00 51.96 51.02 3ity s ALA 134 Cb -0.12 -1.96 -0.11 0.00 0.00 0.00 0.00 23.12 20.93 3ity s ALA 134 CO 0.01 0.68 1.17 -2.30 0.00 0.00 0.00 175.76 175.32 3ity n PRO 135 N -0.02 1.75 -0.82 0.00 -0.02 -1.26 -1.98 135.00 132.65 3ity n PRO 135 Ca -0.04 0.62 0.00 0.00 -2.02 0.00 0.00 63.50 62.06 3ity n PRO 135 Cb 0.52 -2.21 0.00 0.00 -0.02 0.00 0.00 33.50 31.79 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 0.95 0.99 3.72 -1.23 0.00 -1.26 -4.98 105.19 103.38 3ity n GLY 136 Ca 0.07 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.67 3ity n GLY 136 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 3ity n GLN 137 N -2.00 2.78 -0.12 1.61 7.27 -0.84 -4.92 117.38 121.16 3ity n GLN 137 Ca 0.00 1.00 -0.10 0.00 0.07 0.00 0.00 57.00 57.97 3ity n GLN 137 Cb 0.00 -2.85 -0.02 0.00 2.41 0.00 0.00 30.24 29.79 3ity n GLN 137 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 3ity h ALA 138 N 6.68 0.47 -3.82 1.69 0.00 -1.93 -3.43 119.26 118.91 3ity h ALA 138 Ca -0.43 -0.18 -0.64 0.00 0.00 0.00 0.00 54.91 53.66 3ity h ALA 138 Cb 1.20 -0.14 -0.32 0.00 0.00 0.00 0.00 17.79 18.54 3ity h ALA 138 CO 0.95 0.13 -0.87 -1.01 0.00 0.00 0.00 179.25 178.46 3ity s HIS 139 N -5.31 2.18 0.41 0.00 3.76 -1.26 -5.13 115.29 109.94 3ity s HIS 139 Ca -0.13 -0.70 -0.22 0.00 -0.15 0.00 0.00 55.06 53.85 3ity s HIS 139 Cb 0.09 -1.45 -0.10 0.00 1.11 0.00 0.00 32.58 32.23 3ity s HIS 139 CO 0.76 -0.24 0.97 0.45 -0.85 0.00 0.00 174.74 175.82 3ity s SER 140 N 0.04 6.94 -0.19 1.40 0.15 -1.26 -4.97 113.70 115.82 3ity s SER 140 Ca -0.07 1.79 0.16 0.00 0.70 0.00 0.00 55.95 58.52 3ity s SER 140 Cb -0.14 -2.56 0.79 0.00 -1.71 0.00 0.00 66.02 62.41 3ity s SER 140 CO 0.04 -0.36 1.71 -1.22 1.20 0.00 0.00 173.24 174.62 3ity n TYR 141 N -0.35 1.87 -0.27 3.44 4.01 -1.26 -4.57 117.16 120.03 3ity n TYR 141 Ca 0.06 -0.68 0.06 0.00 -0.16 0.00 0.00 57.90 57.18 3ity n TYR 141 Cb 0.52 -0.41 0.20 0.00 -0.31 0.00 0.00 39.34 39.35 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 4.10 0.50 -0.57 -0.72 3.64 -1.94 -1.62 116.57 119.95 3ity h LYS 142 Ca 0.00 -0.03 -0.13 0.00 -1.27 0.00 0.00 60.65 59.22 3ity h LYS 142 Cb 1.78 -0.11 -0.07 0.00 -0.41 0.00 0.00 32.23 33.41 3ity h LYS 142 CO 0.39 0.33 0.13 0.66 -2.27 0.00 0.00 179.45 178.70 3ity n TYR 143 N -4.95 1.95 0.00 1.91 4.01 -1.26 -5.05 117.16 113.77 3ity n TYR 143 Ca 0.15 -1.08 0.00 0.00 -0.16 0.00 0.00 57.90 56.81 3ity n TYR 143 Cb 0.42 -0.56 0.00 0.00 -0.31 0.00 0.00 39.34 38.89 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 -0.17 1.39 0.00 2.72 0.00 -0.61 -4.66 105.19 103.86 3ity n GLY 144 Ca 0.34 -2.23 0.00 0.00 0.00 0.00 0.00 46.02 44.13 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 0.27 1.61 3.41 -1.26 -4.28 113.62 113.38 3ity n SER 145 Ca 0.00 0.00 0.13 0.00 -0.26 0.00 0.00 58.87 58.74 3ity n SER 145 Cb 0.00 0.00 0.79 0.00 -0.26 0.00 0.00 64.21 64.74 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 -2.91 1.04 3.38 -1.87 -2.25 115.31 112.71 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 0.08 0.00 -1.54 0.09 0.00 0.00 178.44 177.07 3ity n SER 147 N -3.73 3.13 -4.71 -0.43 3.41 -1.26 -3.92 113.62 106.11 3ity n SER 147 Ca -0.02 -2.09 -0.38 0.00 -0.26 0.00 0.00 58.87 56.12 3ity n SER 147 Cb 0.18 -0.28 0.05 0.00 -0.26 0.00 0.00 64.21 63.90 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 0.55 1.86 0.26 7.33 -0.00 -0.84 -4.78 115.22 119.59 3ity n HIS 148 Ca 0.14 0.43 0.14 0.00 -0.00 0.00 0.00 57.72 58.43 3ity n HIS 148 Cb 0.49 -2.29 0.62 0.00 -0.00 0.00 0.00 29.99 28.81 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 0.98 0.30 -3.38 3.57 1.35 -1.90 -3.43 112.91 110.40 3ity h THR 149 Ca -0.50 -0.74 -0.60 0.00 -0.55 0.00 0.00 66.41 64.01 3ity h THR 149 Cb 1.33 1.57 -0.10 0.00 -1.73 0.00 0.00 68.15 69.22 3ity h THR 149 CO 0.55 0.11 0.33 0.21 -0.25 0.00 0.00 175.52 176.46 3ity s ASN 150 N -5.94 6.71 0.19 5.36 2.47 -1.26 -4.97 114.94 117.50 3ity s ASN 150 Ca 0.00 0.86 -0.12 0.00 0.42 0.00 0.00 52.86 54.03 3ity s ASN 150 Cb 0.10 -2.39 0.22 0.00 -1.45 0.00 0.00 41.25 37.73 3ity s ASN 150 CO 0.58 -0.46 1.74 0.00 -3.72 0.00 0.00 177.10 175.24 3ity h ALA 151 N 7.81 0.66 -0.20 1.71 0.00 -1.99 -1.65 119.26 125.59 3ity h ALA 151 Ca -0.25 0.08 -0.01 0.00 0.00 0.00 0.00 54.91 54.74 3ity h ALA 151 Cb 1.11 0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.96 3ity h ALA 151 CO 0.83 -0.24 0.07 0.00 0.00 0.00 0.00 179.25 179.91 3ity h ALA 152 N 1.38 1.75 -0.25 0.00 0.00 -1.97 0.32 119.26 120.51 3ity h ALA 152 Ca 0.27 -0.07 -0.13 0.00 0.00 0.00 0.00 54.91 54.98 3ity h ALA 152 Cb 0.33 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.03 3ity h ALA 152 CO -0.29 0.20 -0.37 1.15 0.00 0.00 0.00 179.25 179.94 3ity h THR 153 N 0.28 1.31 -0.44 0.00 2.02 -1.68 -1.43 112.91 112.97 3ity h THR 153 Ca 0.07 -1.57 -0.03 0.00 0.77 0.00 0.00 66.41 65.65 3ity h THR 153 Cb 0.07 1.72 -0.02 0.00 -1.74 0.00 0.00 68.15 68.18 3ity h THR 153 CO -0.01 0.49 0.15 0.03 0.37 0.00 0.00 175.52 176.56 3ity h ARG 154 N 0.41 0.67 -0.85 6.66 3.08 -0.75 -1.64 114.38 121.96 3ity h ARG 154 Ca 0.02 -0.14 0.03 0.00 0.07 0.00 0.00 59.98 59.97 3ity h ARG 154 Cb 0.96 -0.10 -0.05 0.00 0.08 0.00 0.00 29.97 30.86 3ity h ARG 154 CO 0.09 0.64 0.56 0.00 -1.07 0.00 0.00 179.97 180.18 3ity h ALA 155 N 1.00 1.47 -0.51 0.04 0.00 -0.88 0.83 119.26 121.21 3ity h ALA 155 Ca 0.14 -0.04 -0.09 0.00 0.00 0.00 0.00 54.91 54.92 3ity h ALA 155 Cb 0.24 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 17.71 3ity h ALA 155 CO -0.01 0.44 -0.04 0.37 0.00 0.00 0.00 179.25 180.02 3ity h GLN 156 N 1.06 0.93 -0.60 0.00 4.15 -0.89 -0.53 115.11 119.23 3ity h GLN 156 Ca 0.34 -0.31 -0.09 0.00 0.77 0.00 0.00 58.65 59.35 3ity h GLN 156 Cb 0.03 -0.07 -0.02 0.00 0.21 0.00 0.00 27.48 27.62 3ity h GLN 156 CO -0.10 0.97 0.02 0.00 -1.93 0.00 0.00 178.83 177.79 3ity h ALA 157 N 0.93 0.80 -0.32 3.38 0.00 -0.45 -1.33 119.26 122.27 3ity h ALA 157 Ca 0.14 -0.30 -0.03 0.00 0.00 0.00 0.00 54.91 54.73 3ity h ALA 157 Cb 0.57 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.13 3ity h ALA 157 CO 0.03 0.62 0.10 0.28 0.00 0.00 0.00 179.25 180.28 3ity h VAL 158 N 0.93 1.21 -0.96 0.00 2.07 -0.69 -2.04 116.25 116.76 3ity h VAL 158 Ca 0.17 -0.67 0.01 0.00 0.82 0.00 0.00 66.70 67.04 3ity h VAL 158 Cb 0.52 1.04 -0.05 0.00 -1.52 0.00 0.00 31.29 31.28 3ity h VAL 158 CO 0.03 0.23 0.64 -0.08 0.02 0.00 0.00 177.57 178.40 3ity h GLU 159 N 0.36 1.26 -0.59 1.57 4.57 -0.91 -1.03 114.58 119.81 3ity h GLU 159 Ca 0.10 -0.08 -0.02 0.00 -1.18 0.00 0.00 59.36 58.19 3ity h GLU 159 Cb 0.25 -0.28 -0.03 0.00 -0.16 0.00 0.00 28.75 28.53 3ity h GLU 159 CO -0.00 0.83 0.29 1.25 -1.18 0.00 0.00 179.01 180.20 3ity h HIS 160 N 1.30 0.85 -0.37 0.92 2.76 -0.98 -0.60 115.15 119.03 3ity h HIS 160 Ca 0.36 -0.04 -0.06 0.00 -2.20 0.00 0.00 60.37 58.42 3ity h HIS 160 Cb -0.14 -0.26 -0.02 0.00 1.55 0.00 0.00 27.41 28.54 3ity h HIS 160 CO -0.00 0.64 -0.03 -0.91 -1.30 0.00 0.00 177.93 176.33 3ity h ASN 161 N 0.81 0.58 -0.30 3.26 2.35 -0.70 -1.32 115.58 120.25 3ity h ASN 161 Ca 0.20 -0.13 -0.11 0.00 -0.55 0.00 0.00 56.30 55.71 3ity h ASN 161 Cb 0.11 -0.15 -0.01 0.00 0.05 0.00 0.00 38.32 38.31 3ity h ASN 161 CO -0.03 0.67 -0.20 -0.07 -1.65 0.00 0.00 177.43 176.15 3ity h LEU 162 N 0.57 0.78 -1.19 1.61 3.38 -0.71 -2.25 115.31 117.50 3ity h LEU 162 Ca 0.12 -0.27 -0.06 0.00 0.09 0.00 0.00 57.88 57.76 3ity h LEU 162 Cb 0.41 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 40.93 3ity h LEU 162 CO 0.02 0.97 -0.04 -0.08 0.09 0.00 0.00 178.44 179.40 3ity h GLU 163 N 0.68 0.51 -0.48 1.13 4.81 -0.53 -1.31 114.58 119.38 3ity h GLU 163 Ca 0.10 -0.12 -0.07 0.00 -0.13 0.00 0.00 59.36 59.14 3ity h GLU 163 Cb 0.71 -0.07 -0.02 0.00 0.63 0.00 0.00 28.75 30.00 3ity h GLU 163 CO 0.05 0.57 0.00 0.00 -0.73 0.00 0.00 179.01 178.90 3ity h ILE 165 N 0.75 1.27 -0.60 0.00 2.04 -0.80 -0.29 117.51 119.89 3ity h ILE 165 Ca 0.15 -1.38 -0.02 0.00 1.00 0.00 0.00 64.86 64.60 3ity h ILE 165 Cb 0.45 1.16 -0.03 0.00 -0.74 0.00 0.00 36.82 37.67 3ity h ILE 165 CO 0.02 0.47 0.29 -0.33 0.00 0.00 0.00 178.15 178.60 3ity h GLU 166 N 0.80 0.85 -0.45 2.37 4.39 -0.86 0.61 114.58 122.30 3ity h GLU 166 Ca 0.10 -0.12 -0.04 0.00 0.34 0.00 0.00 59.36 59.64 3ity h GLU 166 Cb 0.79 -0.15 -0.02 0.00 -0.10 0.00 0.00 28.75 29.27 3ity h GLU 166 CO 0.07 0.69 0.14 0.82 -1.16 0.00 0.00 179.01 179.56 3ity h ILE 167 N 0.81 1.22 -0.72 3.13 1.08 -1.03 -2.94 117.51 119.05 3ity h ILE 167 Ca 0.20 -0.74 -0.00 0.00 -0.39 0.00 0.00 64.86 63.93 3ity h ILE 167 Cb 0.11 0.86 -0.04 0.00 -3.07 0.00 0.00 36.82 34.69 3ity h ILE 167 CO -0.03 0.27 0.45 1.23 -0.69 0.00 0.00 178.15 179.38 3ity h GLY 168 N 0.58 1.04 1.38 5.37 0.00 -0.60 -2.49 103.07 108.35 3ity h GLY 168 Ca 0.14 -0.42 0.02 0.00 0.00 0.00 0.00 47.33 47.07 3ity h GLY 168 CO -0.00 0.41 0.37 0.50 0.00 0.00 0.00 176.54 177.82 3ity h LYS 169 N 0.99 0.67 0.00 4.80 1.57 -0.74 -0.94 116.57 122.91 3ity h LYS 169 Ca 0.26 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 59.00 3ity h LYS 169 Cb -0.05 -0.15 0.00 0.00 0.08 0.00 0.00 32.23 32.11 3ity h LYS 169 CO -0.05 0.44 0.00 0.00 -0.57 0.00 0.00 179.45 179.27 3ity h ALA 170 N 1.67 1.00 -0.11 3.86 0.00 -1.28 -3.29 119.26 121.11 3ity h ALA 170 Ca 0.22 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.13 3ity h ALA 170 Cb 0.03 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.82 3ity h ALA 170 CO -0.05 0.00 0.00 0.44 0.00 0.00 0.00 179.25 179.64 3ity n ILE 171 N -2.86 0.61 -0.11 0.00 -5.35 -0.86 -4.84 119.36 105.95 3ity n ILE 171 Ca 0.03 -0.81 0.00 0.00 -0.27 0.00 0.00 62.75 61.70 3ity n ILE 171 Cb 0.39 0.74 0.00 0.00 -1.74 0.00 0.00 39.64 39.02 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 0.11 0.81 3.80 3.28 0.00 -0.90 -4.53 105.19 107.75 3ity n GLY 172 Ca 0.05 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.75 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 5.55 -0.04 1.61 0.15 -0.42 -4.82 113.70 113.37 3ity s SER 173 Ca 0.00 1.76 0.10 0.00 0.70 0.00 0.00 55.95 58.50 3ity s SER 173 Cb 0.00 -2.52 0.17 0.00 -1.71 0.00 0.00 66.02 61.96 3ity s SER 173 CO 0.00 -1.33 1.08 0.29 1.20 0.00 0.00 173.24 174.48 3ity n LYS 174 N -2.50 0.37 -3.53 5.44 4.76 -1.26 -4.49 118.16 116.94 3ity n LYS 174 Ca 0.08 -1.67 -0.10 0.00 -2.87 0.00 0.00 58.31 53.75 3ity n LYS 174 Cb 0.53 -0.68 -0.03 0.00 -1.84 0.00 0.00 35.03 33.00 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 -0.81 -1.85 -0.13 7.82 0.00 -1.26 -1.85 121.76 123.69 3ity s ALA 175 Ca 0.16 1.22 0.01 0.00 0.00 0.00 0.00 51.96 53.35 3ity s ALA 175 Cb 0.16 0.01 0.02 0.00 0.00 0.00 0.00 23.12 23.30 3ity s ALA 175 CO -0.03 -0.53 -0.16 -1.17 0.00 0.00 0.00 175.76 173.87 3ity s LEU 176 N -1.90 1.77 -0.20 0.00 2.96 -0.64 -0.64 118.68 120.03 3ity s LEU 176 Ca 0.01 -0.47 -0.10 0.00 -0.22 0.00 0.00 54.13 53.35 3ity s LEU 176 Cb -0.01 -1.17 -0.05 0.00 0.50 0.00 0.00 46.19 45.46 3ity s LEU 176 CO -0.04 0.00 0.12 -0.89 -1.32 0.00 0.00 176.35 174.23 3ity s THR 177 N 1.11 5.30 -0.30 3.68 2.01 0.10 -0.85 115.64 126.69 3ity s THR 177 Ca -0.03 0.15 0.03 0.00 0.31 0.00 0.00 61.69 62.15 3ity s THR 177 Cb -0.14 -3.42 0.08 0.00 0.01 0.00 0.00 72.50 69.02 3ity s THR 177 CO -0.04 0.43 -0.04 -0.69 -0.69 0.00 0.00 174.62 173.59 3ity s VAL 178 N 0.45 2.22 -0.15 3.82 1.01 0.52 -2.84 120.40 125.44 3ity s VAL 178 Ca 0.07 -1.96 0.02 0.00 0.00 0.00 0.00 61.98 60.10 3ity s VAL 178 Cb -0.12 -2.47 0.02 0.00 0.00 0.00 0.00 36.38 33.81 3ity s VAL 178 CO -0.01 -0.29 -0.19 0.86 0.00 0.00 0.00 175.10 175.47 3ity s TRP 179 N 1.01 2.55 0.28 5.22 -0.00 -1.26 -2.40 118.94 124.34 3ity s TRP 179 Ca 0.00 -1.38 0.09 0.00 -0.00 0.00 0.00 56.10 54.81 3ity s TRP 179 Cb -0.20 -1.77 -0.05 0.00 -0.00 0.00 0.00 33.47 31.45 3ity s TRP 179 CO -0.06 -0.67 -0.13 0.96 -0.00 0.00 0.00 176.95 177.04 3ity s ILE 180 N 1.10 2.07 -2.01 5.86 -4.36 -1.26 -4.72 121.20 117.88 3ity s ILE 180 Ca -0.01 -2.25 0.26 0.00 -0.26 0.00 0.00 60.65 58.39 3ity s ILE 180 Cb -0.14 -2.37 0.23 0.00 1.25 0.00 0.00 42.46 41.43 3ity s ILE 180 CO -0.07 -0.36 1.45 0.61 0.24 0.00 0.00 174.94 176.81 3ity n GLY 181 N -0.61 -0.26 3.21 6.27 0.00 -1.26 -4.96 105.19 107.57 3ity n GLY 181 Ca -0.06 -0.49 -0.56 0.00 0.00 0.00 0.00 46.02 44.91 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 -0.25 0.56 0.00 1.61 9.92 -1.26 -4.14 116.55 122.99 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 0.40 -0.79 0.00 0.00 -0.64 0.00 0.00 41.12 40.08 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 2.49 -0.61 3.11 0.44 0.00 -1.26 -1.71 105.19 107.65 3ity n GLY 183 Ca 0.23 -0.62 -0.08 0.00 0.00 0.00 0.00 46.02 45.54 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 0.32 0.00 1.61 1.04 0.40 -4.87 113.70 108.20 3ity s SER 184 Ca 0.00 -0.77 0.12 0.00 0.48 0.00 0.00 55.95 55.78 3ity s SER 184 Cb 0.00 0.22 -0.02 0.00 0.10 0.00 0.00 66.02 66.32 3ity s SER 184 CO 0.00 -0.57 0.67 0.59 0.98 0.00 0.00 173.24 174.91 3ity n ASN 185 N 0.39 1.21 -3.91 7.02 4.13 -1.26 -1.31 115.26 121.53 3ity n ASN 185 Ca -0.16 -1.11 -0.13 0.00 1.68 0.00 0.00 54.58 54.86 3ity n ASN 185 Cb 0.60 0.55 -0.14 0.00 -1.54 0.00 0.00 39.78 39.26 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 -1.62 0.17 0.34 3.10 0.08 -1.26 -4.40 117.98 114.39 3ity s PHE 186 Ca 0.09 -0.05 -0.29 0.00 0.12 0.00 0.00 56.93 56.80 3ity s PHE 186 Cb 0.09 -0.11 -0.12 0.00 -0.57 0.00 0.00 43.02 42.32 3ity s PHE 186 CO 0.33 -0.01 1.48 -2.30 -0.10 0.00 0.00 175.22 174.62 3ity n PRO 187 N 2.97 2.56 0.00 0.24 -0.02 -1.26 -1.75 135.00 137.73 3ity n PRO 187 Ca -0.13 0.90 0.00 0.00 -2.02 0.00 0.00 63.50 62.25 3ity n PRO 187 Cb 0.59 -2.62 0.00 0.00 -0.02 0.00 0.00 33.50 31.46 3ity n PRO 187 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3ity n GLY 188 N 1.05 3.02 0.27 -1.23 0.00 -1.26 -4.88 105.19 102.16 3ity n GLY 188 Ca 0.04 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.07 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 1.05 0.63 -6.56 1.61 4.15 -1.78 -3.42 115.11 110.79 3ity h GLN 189 Ca 0.00 -0.04 -0.64 0.00 0.77 0.00 0.00 58.65 58.74 3ity h GLN 189 Cb 0.00 -0.14 -0.19 0.00 0.21 0.00 0.00 27.48 27.36 3ity h GLN 189 CO 0.00 0.42 -0.82 -1.12 -1.93 0.00 0.00 178.83 175.37 3ity s SER 190 N -5.54 3.31 -0.44 -0.69 0.01 -1.26 -5.09 113.70 104.00 3ity s SER 190 Ca -0.13 -0.85 -0.16 0.00 1.31 0.00 0.00 55.95 56.12 3ity s SER 190 Cb 0.18 -0.24 0.04 0.00 0.21 0.00 0.00 66.02 66.21 3ity s SER 190 CO 0.76 0.11 0.41 0.21 0.41 0.00 0.00 173.24 175.14 3ity s ASN 191 N -2.57 6.16 0.23 2.44 3.84 -1.26 -4.97 114.94 118.82 3ity s ASN 191 Ca 0.19 -0.91 -0.13 0.00 0.21 0.00 0.00 52.86 52.21 3ity s ASN 191 Cb -0.08 -2.20 0.29 0.00 -0.55 0.00 0.00 41.25 38.71 3ity s ASN 191 CO 0.09 -0.59 1.59 -0.26 -2.79 0.00 0.00 177.10 175.13 3ity h PHE 192 N 8.74 -0.59 -0.24 0.43 0.04 -1.98 -0.60 116.94 122.73 3ity h PHE 192 Ca -0.27 0.08 -0.06 0.00 2.80 0.00 0.00 57.97 60.52 3ity h PHE 192 Cb 1.11 0.38 -0.01 0.00 2.20 0.00 0.00 35.95 39.64 3ity h PHE 192 CO 0.62 -0.36 -0.07 1.15 -0.60 0.00 0.00 178.31 179.05 3ity h THR 193 N -0.03 1.29 -0.61 -1.55 2.02 -1.99 -2.53 112.91 109.50 3ity h THR 193 Ca 0.36 -1.09 -0.07 0.00 0.77 0.00 0.00 66.41 66.38 3ity h THR 193 Cb 0.59 1.50 -0.03 0.00 -1.74 0.00 0.00 68.15 68.47 3ity h THR 193 CO -0.82 0.34 0.09 0.03 0.37 0.00 0.00 175.52 175.53 3ity h ARG 194 N 0.21 0.99 -0.75 6.66 3.08 -1.86 -0.26 114.38 122.45 3ity h ARG 194 Ca 0.06 -0.25 -0.04 0.00 0.07 0.00 0.00 59.98 59.82 3ity h ARG 194 Cb 0.54 -0.12 -0.03 0.00 0.08 0.00 0.00 29.97 30.43 3ity h ARG 194 CO 0.03 0.91 0.33 0.00 -1.07 0.00 0.00 179.97 180.17 3ity h ALA 195 N 1.17 0.97 -0.39 0.04 0.00 -1.12 -1.28 119.26 118.65 3ity h ALA 195 Ca 0.19 -0.17 -0.13 0.00 0.00 0.00 0.00 54.91 54.80 3ity h ALA 195 Cb 0.41 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.90 3ity h ALA 195 CO 0.01 0.56 -0.28 0.35 0.00 0.00 0.00 179.25 179.90 3ity h PHE 196 N 1.07 0.96 -0.75 0.00 3.57 -1.09 -1.21 116.94 119.49 3ity h PHE 196 Ca 0.25 -0.24 -0.01 0.00 3.53 0.00 0.00 57.97 61.50 3ity h PHE 196 Cb 0.17 -0.22 -0.04 0.00 2.79 0.00 0.00 35.95 38.66 3ity h PHE 196 CO 0.01 1.01 0.41 0.93 -2.23 0.00 0.00 178.31 178.44 3ity h GLU 197 N 0.70 1.04 -0.56 1.11 5.08 -0.67 0.51 114.58 121.80 3ity h GLU 197 Ca 0.08 -0.12 -0.07 0.00 -1.00 0.00 0.00 59.36 58.26 3ity h GLU 197 Cb 0.82 -0.20 -0.02 0.00 0.50 0.00 0.00 28.75 29.85 3ity h GLU 197 CO 0.07 0.77 0.09 0.00 -1.00 0.00 0.00 179.01 178.94 3ity h ARG 198 N 1.03 0.93 -0.03 2.33 3.08 -1.00 -1.57 114.38 119.15 3ity h ARG 198 Ca 0.26 -0.25 0.00 0.00 0.07 0.00 0.00 59.98 60.06 3ity h ARG 198 Cb 0.03 -0.11 -0.00 0.00 0.08 0.00 0.00 29.97 29.97 3ity h ARG 198 CO -0.04 0.89 0.02 -0.92 -1.07 0.00 0.00 179.97 178.85 3ity h TYR 199 N 0.82 0.04 -0.93 3.04 5.03 -0.73 -1.41 116.97 122.84 3ity h TYR 199 Ca 0.17 0.00 0.04 0.00 2.58 0.00 0.00 58.73 61.52 3ity h TYR 199 Cb 0.41 -0.01 -0.06 0.00 1.55 0.00 0.00 36.73 38.63 3ity h TYR 199 CO 0.03 0.03 0.60 -0.07 -1.32 0.00 0.00 178.16 177.43 3ity h LEU 200 N 0.03 0.99 -0.54 2.82 3.38 -0.75 -0.05 115.31 121.20 3ity h LEU 200 Ca 0.01 -0.00 -0.09 0.00 0.09 0.00 0.00 57.88 57.88 3ity h LEU 200 Cb 0.00 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 40.52 3ity h LEU 200 CO -0.00 0.67 -0.03 -1.28 0.09 0.00 0.00 178.44 177.89 3ity h SER 201 N 1.15 0.96 -0.48 -0.43 0.87 -1.05 -1.50 113.55 113.06 3ity h SER 201 Ca 0.37 -0.32 -0.13 0.00 -1.23 0.00 0.00 61.79 60.48 3ity h SER 201 Cb 0.03 -0.26 -0.01 0.00 -0.44 0.00 0.00 62.40 61.72 3ity h SER 201 CO -0.13 1.05 -0.21 0.00 -0.53 0.00 0.00 176.83 177.00 3ity h ALA 202 N 0.95 0.70 0.00 6.23 0.00 -0.72 -2.75 119.26 123.66 3ity h ALA 202 Ca 0.15 -0.39 -0.08 0.00 0.00 0.00 0.00 54.91 54.59 3ity h ALA 202 Cb 0.57 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.18 3ity h ALA 202 CO 0.03 0.68 -0.37 0.52 0.00 0.00 0.00 179.25 180.11 3ity h MET 203 N 0.86 0.00 -0.52 0.00 2.07 -0.92 -2.05 114.93 114.38 3ity h MET 203 Ca 0.11 0.00 -0.05 0.00 -2.07 0.00 0.00 59.70 57.70 3ity h MET 203 Cb 0.79 0.00 -0.02 0.00 -1.87 0.00 0.00 31.60 30.50 3ity h MET 203 CO 0.07 0.37 0.14 0.00 1.07 0.00 0.00 176.91 178.55 3ity h ALA 204 N 1.63 1.27 -0.52 6.32 0.00 -0.98 0.94 119.26 127.92 3ity h ALA 204 Ca -0.00 -0.19 -0.12 0.00 0.00 0.00 0.00 54.91 54.60 3ity h ALA 204 Cb 0.68 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 18.25 3ity h ALA 204 CO 0.05 0.51 -0.14 0.93 0.00 0.00 0.00 179.25 180.60 3ity h GLU 205 N 0.76 1.00 -0.40 0.00 5.08 -1.20 -2.35 114.58 117.47 3ity h GLU 205 Ca 0.17 -0.38 -0.07 0.00 -1.00 0.00 0.00 59.36 58.08 3ity h GLU 205 Cb 0.26 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.44 3ity h GLU 205 CO -0.00 1.06 -0.02 0.82 -1.00 0.00 0.00 179.01 179.86 3ity h ILE 206 N 0.88 1.26 -0.74 3.13 2.04 -1.02 -2.89 117.51 120.18 3ity h ILE 206 Ca 0.13 -1.06 0.10 0.00 1.00 0.00 0.00 64.86 65.03 3ity h ILE 206 Cb 0.71 1.16 -0.05 0.00 -0.74 0.00 0.00 36.82 37.90 3ity h ILE 206 CO 0.05 0.36 0.49 0.22 0.00 0.00 0.00 178.15 179.27 3ity h TYR 207 N 0.54 0.68 0.00 1.37 5.03 -0.65 -0.31 116.97 123.62 3ity h TYR 207 Ca 0.11 0.02 -0.02 0.00 2.58 0.00 0.00 58.73 61.42 3ity h TYR 207 Cb 0.51 -0.22 -0.00 0.00 1.55 0.00 0.00 36.73 38.57 3ity h TYR 207 CO 0.04 0.32 -0.10 0.87 -1.32 0.00 0.00 178.16 177.97 3ity h LYS 208 N 0.64 0.00 -0.18 1.82 1.57 -1.20 -2.37 116.57 116.84 3ity h LYS 208 Ca 0.34 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.12 3ity h LYS 208 Cb 0.49 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.80 3ity h LYS 208 CO -0.12 0.10 0.00 0.41 -0.57 0.00 0.00 179.45 179.27 3ity n GLY 209 N -0.61 0.30 3.71 3.86 0.00 -0.13 -4.91 105.19 107.41 3ity n GLY 209 Ca -0.02 -0.41 -0.42 0.00 0.00 0.00 0.00 46.02 45.18 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 -1.50 4.39 1.17 0.99 1.43 -0.89 -5.01 118.68 119.25 3ity s LEU 210 Ca 0.31 1.65 -0.15 0.00 -1.03 0.00 0.00 54.13 54.91 3ity s LEU 210 Cb 0.17 -3.53 0.27 0.00 0.03 0.00 0.00 46.19 43.13 3ity s LEU 210 CO 0.25 -0.22 1.04 -2.84 0.23 0.00 0.00 176.35 174.81 3ity s PRO 211 N 0.82 -0.92 0.37 1.29 0.02 -1.26 -4.90 135.00 130.43 3ity s PRO 211 Ca 0.50 0.53 0.08 0.00 0.02 0.00 0.00 61.00 62.13 3ity s PRO 211 Cb -0.21 -1.58 0.73 0.00 0.02 0.00 0.00 34.50 33.46 3ity s PRO 211 CO 0.28 -3.64 1.91 -0.44 -0.33 0.00 0.00 177.00 174.78 3ity h ASP 212 N -2.55 0.33 -0.55 2.53 3.32 -2.01 -2.92 116.42 114.58 3ity h ASP 212 Ca -0.56 -0.06 -0.02 0.00 0.02 0.00 0.00 57.03 56.40 3ity h ASP 212 Cb 1.33 -0.09 -0.01 0.00 0.22 0.00 0.00 39.33 40.79 3ity h ASP 212 CO 0.49 0.44 0.03 -0.90 -1.72 0.00 0.00 179.24 177.57 3ity n ASP 213 N -4.29 5.41 -4.85 6.45 5.75 -1.26 -4.97 116.55 118.79 3ity n ASP 213 Ca 0.00 -2.98 -0.23 0.00 -0.01 0.00 0.00 54.79 51.57 3ity n ASP 213 Cb 0.25 -0.67 -0.04 0.00 -1.03 0.00 0.00 41.12 39.62 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 -2.81 3.20 0.15 2.11 0.52 -1.10 -4.88 118.94 116.12 3ity s TRP 214 Ca 0.53 -0.05 0.09 0.00 0.02 0.00 0.00 56.10 56.69 3ity s TRP 214 Cb 0.41 -1.48 -0.04 0.00 -1.15 0.00 0.00 33.47 31.21 3ity s TRP 214 CO 0.15 0.51 -0.21 0.15 0.02 0.00 0.00 176.95 177.57 3ity s LYS 215 N -3.62 1.29 -0.19 4.98 1.02 -0.77 -4.84 119.74 117.62 3ity s LYS 215 Ca 0.33 -1.36 0.01 0.00 0.02 0.00 0.00 55.97 54.97 3ity s LYS 215 Cb -0.09 -1.50 0.03 0.00 -0.52 0.00 0.00 37.83 35.75 3ity s LYS 215 CO 0.25 0.33 -0.18 -1.17 -0.92 0.00 0.00 175.35 173.66 3ity s LEU 216 N -2.40 2.23 -0.16 3.17 2.96 0.16 -1.63 118.68 123.02 3ity s LEU 216 Ca 0.14 -0.73 -0.05 0.00 -0.22 0.00 0.00 54.13 53.28 3ity s LEU 216 Cb -0.08 -1.43 -0.03 0.00 0.50 0.00 0.00 46.19 45.15 3ity s LEU 216 CO 0.07 -0.04 -0.00 -0.36 -1.32 0.00 0.00 176.35 174.69 3ity s PHE 217 N 1.30 3.11 -0.03 5.38 0.08 -0.03 -1.39 117.98 126.40 3ity s PHE 217 Ca 0.03 -0.13 0.01 0.00 0.12 0.00 0.00 56.93 56.96 3ity s PHE 217 Cb -0.14 -1.98 -0.03 0.00 -0.57 0.00 0.00 43.02 40.30 3ity s PHE 217 CO -0.11 0.08 -0.03 -1.54 -0.10 0.00 0.00 175.22 173.52 3ity s SER 218 N 0.23 4.95 -0.16 1.36 1.04 -0.91 -0.35 113.70 119.85 3ity s SER 218 Ca -0.00 -0.00 0.01 0.00 0.48 0.00 0.00 55.95 56.43 3ity s SER 218 Cb -0.13 -1.28 0.02 0.00 0.10 0.00 0.00 66.02 64.73 3ity s SER 218 CO 0.02 0.32 -0.15 -0.70 0.98 0.00 0.00 173.24 173.71 3ity s GLU 219 N -1.22 2.47 0.52 4.02 2.12 -1.01 -1.49 118.70 124.11 3ity s GLU 219 Ca 0.16 -0.67 -0.12 0.00 0.36 0.00 0.00 54.97 54.70 3ity s GLU 219 Cb -0.11 -2.28 -0.06 0.00 0.26 0.00 0.00 34.13 31.95 3ity s GLU 219 CO 0.06 -0.25 0.92 -3.38 -0.54 0.00 0.00 175.26 172.07 3ity s HIS 220 N 1.42 3.53 -0.26 5.30 -3.43 -1.26 -4.70 115.29 115.90 3ity s HIS 220 Ca 0.04 1.21 -0.14 0.00 -0.80 0.00 0.00 55.06 55.37 3ity s HIS 220 Cb -0.13 -2.61 0.08 0.00 -1.43 0.00 0.00 32.58 28.49 3ity s HIS 220 CO -0.11 -0.39 0.63 0.21 -2.00 0.00 0.00 174.74 173.07 3ity s LYS 221 N -4.48 0.63 0.12 -0.38 2.20 -0.12 -4.77 119.74 112.94 3ity s LYS 221 Ca 0.54 1.15 -0.18 0.00 -0.36 0.00 0.00 55.97 57.12 3ity s LYS 221 Cb -0.10 0.15 -0.04 0.00 -1.51 0.00 0.00 37.83 36.32 3ity s LYS 221 CO 0.41 -0.16 1.72 1.98 -0.36 0.00 0.00 175.35 178.94 3ity h MET 222 N 7.10 0.39 -3.07 4.03 1.85 -1.19 -3.35 114.93 120.70 3ity h MET 222 Ca -0.30 -0.05 0.05 0.00 -0.61 0.00 0.00 59.70 58.79 3ity h MET 222 Cb 1.21 -0.08 -0.05 0.00 0.43 0.00 0.00 31.60 33.11 3ity h MET 222 CO 0.18 0.34 0.19 1.52 -0.40 0.00 0.00 176.91 178.75 3ity s TYR 223 N -5.87 -0.12 0.03 1.39 1.13 -1.26 -4.48 117.35 108.17 3ity s TYR 223 Ca -0.13 -0.33 0.00 0.00 -1.41 0.00 0.00 57.07 55.20 3ity s TYR 223 Cb 0.09 0.66 0.00 0.00 -1.10 0.00 0.00 41.96 41.61 3ity s TYR 223 CO 0.71 -1.22 0.00 -1.91 -2.51 0.00 0.00 175.55 170.62 3ity n GLU 224 N -0.45 -1.00 0.12 -3.49 2.13 -1.26 -4.80 120.64 111.88 3ity n GLU 224 Ca -0.04 1.12 0.12 0.00 0.66 0.00 0.00 57.16 59.02 3ity n GLU 224 Cb 0.59 -0.92 0.48 0.00 0.27 0.00 0.00 31.44 31.86 3ity n GLU 224 CO 0.00 0.00 0.00 -0.35 -0.41 0.00 0.00 177.13 176.37 3ity n PRO 225 N 0.34 0.19 -2.91 5.31 -0.04 -1.26 -4.98 135.00 131.65 3ity n PRO 225 Ca 0.00 0.41 -0.41 0.00 -0.04 0.00 0.00 63.50 63.46 3ity n PRO 225 Cb 0.00 -1.85 -0.04 0.00 -0.04 0.00 0.00 33.50 31.57 3ity n PRO 225 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3ity s ALA 226 N -3.29 3.30 -1.32 0.55 0.00 -1.26 -4.97 121.76 114.77 3ity s ALA 226 Ca 0.05 0.26 0.16 0.00 0.00 0.00 0.00 51.96 52.43 3ity s ALA 226 Cb 0.09 -3.12 0.49 0.00 0.00 0.00 0.00 23.12 20.58 3ity s ALA 226 CO 0.39 -0.22 1.41 1.19 0.00 0.00 0.00 175.76 178.54 3ity n PHE 227 N 4.01 0.79 0.07 0.00 3.72 -1.23 -4.56 117.46 120.26 3ity n PHE 227 Ca 0.02 -0.53 0.00 0.00 -0.05 0.00 0.00 57.45 56.89 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 0.97 -0.74 -4.04 1.38 9.36 -0.55 -4.93 117.16 118.61 3ity n TYR 228 Ca 0.19 0.13 -0.10 0.00 3.32 0.00 0.00 57.90 61.43 3ity n TYR 228 Cb 0.57 0.20 -0.11 0.00 -0.63 0.00 0.00 39.34 39.38 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 -5.51 0.57 -0.03 2.98 1.04 -0.43 -4.98 113.70 107.34 3ity s SER 229 Ca 0.00 -0.64 0.03 0.00 0.48 0.00 0.00 55.95 55.82 3ity s SER 229 Cb 0.00 0.09 0.00 0.00 0.10 0.00 0.00 66.02 66.21 3ity s SER 229 CO 0.00 -0.33 -0.11 -0.89 0.98 0.00 0.00 173.24 172.89 3ity s THR 230 N -1.99 0.93 0.10 2.02 2.01 -1.26 -0.45 115.64 116.99 3ity s THR 230 Ca -0.08 -0.44 -0.29 0.00 0.31 0.00 0.00 61.69 61.19 3ity s THR 230 Cb -0.06 -0.82 -0.13 0.00 0.01 0.00 0.00 72.50 71.50 3ity s THR 230 CO -0.02 0.28 1.65 0.58 -0.69 0.00 0.00 174.62 176.42 3ity h VAL 231 N 5.38 0.46 -3.19 3.82 2.07 -1.67 -3.05 116.25 120.06 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 0.46 -0.27 0.00 -1.52 0.00 0.00 31.29 31.13 3ity h VAL 231 CO 0.48 0.00 0.66 0.52 0.02 0.00 0.00 177.57 179.25 3ity n VAL 232 N -5.38 4.91 0.06 2.57 0.31 -1.26 -4.83 118.33 114.71 3ity n VAL 232 Ca -0.09 -5.60 -0.12 0.00 -0.01 0.00 0.00 64.34 58.52 3ity n VAL 232 Cb 0.29 -2.35 -0.13 0.00 -0.91 0.00 0.00 33.84 30.73 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 6.09 0.12 0.00 5.55 -0.00 -1.66 -0.30 115.11 124.91 3ity h GLN 233 Ca 0.20 -0.21 -0.31 0.00 -0.00 0.00 0.00 58.65 58.33 3ity h GLN 233 Cb 0.75 0.08 -0.08 0.00 -0.00 0.00 0.00 27.48 28.23 3ity h GLN 233 CO 1.18 1.00 -0.20 -0.40 -0.00 0.00 0.00 178.83 180.40 3ity n ASP 234 N -3.37 -1.20 0.26 0.06 5.68 -1.26 -2.35 116.55 114.38 3ity n ASP 234 Ca -0.09 -2.89 0.13 0.00 -0.50 0.00 0.00 54.79 51.45 3ity n ASP 234 Cb 1.00 2.30 0.70 0.00 -1.14 0.00 0.00 41.12 43.98 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 1.99 0.00 0.02 2.11 5.08 -1.95 -1.26 115.95 121.94 3ity h TRP 235 Ca -0.26 0.00 -0.00 0.00 1.08 0.00 0.00 58.89 59.71 3ity h TRP 235 Cb 1.15 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 27.31 3ity h TRP 235 CO 0.00 0.12 -0.01 0.78 -1.28 0.00 0.00 178.44 178.06 3ity h GLY 236 N 1.14 -0.02 1.11 11.11 0.00 -1.99 0.26 103.07 114.68 3ity h GLY 236 Ca -0.00 0.01 -0.06 0.00 0.00 0.00 0.00 47.33 47.27 3ity h GLY 236 CO 0.02 -0.01 0.19 -0.84 0.00 0.00 0.00 176.54 175.90 3ity h THR 237 N -0.34 1.26 -0.81 4.70 2.02 -1.89 -2.20 112.91 115.65 3ity h THR 237 Ca -0.00 -0.94 0.01 0.00 0.77 0.00 0.00 66.41 66.25 3ity h THR 237 Cb 0.33 0.51 -0.04 0.00 -1.74 0.00 0.00 68.15 67.21 3ity h THR 237 CO 0.00 0.36 0.54 -1.13 0.37 0.00 0.00 175.52 175.66 3ity h ASN 238 N 1.06 0.93 -0.47 4.18 -0.73 -0.97 -1.30 115.58 118.27 3ity h ASN 238 Ca 0.22 -0.02 -0.03 0.00 1.87 0.00 0.00 56.30 58.35 3ity h ASN 238 Cb 0.34 -0.23 -0.02 0.00 0.27 0.00 0.00 38.32 38.68 3ity h ASN 238 CO -0.00 0.67 0.20 0.22 -0.37 0.00 0.00 177.43 178.14 3ity h TYR 239 N 1.09 0.71 -0.79 0.67 3.20 -0.17 -1.58 116.97 120.10 3ity h TYR 239 Ca 0.30 -0.05 0.07 0.00 3.14 0.00 0.00 58.73 62.19 3ity h TYR 239 Cb -0.12 -0.21 -0.05 0.00 1.54 0.00 0.00 36.73 37.88 3ity h TYR 239 CO -0.02 0.59 0.52 -0.07 -1.64 0.00 0.00 178.16 177.54 3ity h LEU 240 N 0.62 0.72 0.29 2.82 3.38 -0.77 0.00 115.31 122.38 3ity h LEU 240 Ca 0.16 0.01 -0.01 0.00 0.09 0.00 0.00 57.88 58.12 3ity h LEU 240 Cb 0.18 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 40.79 3ity h LEU 240 CO -0.01 0.46 -0.14 0.40 0.09 0.00 0.00 178.44 179.23 3ity h ILE 241 N 0.81 0.73 -0.39 1.22 2.04 -0.68 -1.83 117.51 119.41 3ity h ILE 241 Ca 0.35 -0.55 0.00 0.00 1.00 0.00 0.00 64.86 65.66 3ity h ILE 241 Cb 0.30 1.01 -0.02 0.00 -0.74 0.00 0.00 36.82 37.37 3ity h ILE 241 CO -0.12 0.11 0.26 0.00 0.00 0.00 0.00 178.15 178.39 3ity h ALA 242 N -0.12 0.50 -0.52 1.87 0.00 -0.92 -0.20 119.26 119.86 3ity h ALA 242 Ca -0.04 -0.03 -0.04 0.00 0.00 0.00 0.00 54.91 54.80 3ity h ALA 242 Cb 0.48 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.09 3ity h ALA 242 CO 0.07 -0.04 0.15 0.37 0.00 0.00 0.00 179.25 179.79 3ity h GLN 243 N 0.53 0.78 -0.21 0.00 5.75 -1.07 -2.43 115.11 118.46 3ity h GLN 243 Ca 0.14 -0.14 -0.14 0.00 -0.15 0.00 0.00 58.65 58.36 3ity h GLN 243 Cb -0.06 -0.13 0.00 0.00 1.07 0.00 0.00 27.48 28.37 3ity h GLN 243 CO -0.03 0.69 -0.43 1.15 -2.65 0.00 0.00 178.83 177.56 3ity h THR 244 N 0.76 1.32 -0.38 2.39 2.02 -0.90 -3.33 112.91 114.79 3ity h THR 244 Ca 0.17 -1.65 -0.11 0.00 0.77 0.00 0.00 66.41 65.60 3ity h THR 244 Cb 0.25 1.82 -0.01 0.00 -1.74 0.00 0.00 68.15 68.48 3ity h THR 244 CO -0.01 0.52 -0.19 -0.07 0.37 0.00 0.00 175.52 176.14 3ity h LEU 245 N 0.37 0.82 0.00 2.58 3.38 -0.90 -3.50 115.31 118.05 3ity h LEU 245 Ca 0.01 -0.41 0.00 0.00 0.09 0.00 0.00 57.88 57.57 3ity h LEU 245 Cb 1.03 -0.23 0.00 0.00 0.09 0.00 0.00 40.66 41.55 3ity h LEU 245 CO 0.10 1.04 0.00 0.61 0.09 0.00 0.00 178.44 180.28 3ity n GLY 246 N -0.05 1.32 0.40 0.83 0.00 -0.93 -4.91 105.19 101.86 3ity n GLY 246 Ca -0.02 -1.98 0.22 0.00 0.00 0.00 0.00 46.02 44.24 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 0.00 0.39 -0.00 1.61 0.11 -1.91 -1.04 132.00 131.16 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 -0.09 0.00 0.00 0.11 0.00 0.00 31.00 31.02 3ity h PRO 247 CO 0.00 0.26 -0.05 1.63 -0.21 0.00 0.00 178.00 179.63 3ity n LYS 248 N -4.63 0.47 -3.74 1.05 5.02 -1.26 -4.80 118.16 110.27 3ity n LYS 248 Ca 0.25 -0.07 -0.35 0.00 -2.02 0.00 0.00 58.31 56.12 3ity n LYS 248 Cb 0.87 -1.50 -0.08 0.00 -0.02 0.00 0.00 35.03 34.30 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 -2.58 3.67 0.26 7.82 0.00 -0.40 -0.66 121.76 129.87 3ity s ALA 249 Ca 0.27 -0.71 0.02 0.00 0.00 0.00 0.00 51.96 51.55 3ity s ALA 249 Cb 0.20 -2.17 -0.04 0.00 0.00 0.00 0.00 23.12 21.12 3ity s ALA 249 CO 0.48 0.14 0.17 -0.65 0.00 0.00 0.00 175.76 175.89 3ity s GLN 250 N 0.41 1.44 -0.06 0.00 -0.21 -0.49 -4.73 119.66 116.02 3ity s GLN 250 Ca 0.08 -1.80 -0.01 0.00 0.02 0.00 0.00 55.36 53.65 3ity s GLN 250 Cb -0.11 0.17 -0.03 0.00 1.00 0.00 0.00 33.01 34.04 3ity s GLN 250 CO -0.01 -0.46 0.01 0.00 -2.12 0.00 0.00 175.29 172.70 3ity s LEU 252 N -1.07 3.82 -0.29 0.00 1.43 -0.55 0.12 118.68 122.14 3ity s LEU 252 Ca 0.15 0.19 -0.04 0.00 -1.03 0.00 0.00 54.13 53.40 3ity s LEU 252 Cb -0.11 -1.92 0.03 0.00 0.03 0.00 0.00 46.19 44.22 3ity s LEU 252 CO 0.04 0.32 0.02 -0.69 0.23 0.00 0.00 176.35 176.27 3ity s VAL 253 N -0.50 3.31 -0.28 -1.59 1.01 -0.72 -4.11 120.40 117.52 3ity s VAL 253 Ca 0.10 -1.07 -0.11 0.00 0.00 0.00 0.00 61.98 60.90 3ity s VAL 253 Cb -0.12 -2.79 -0.04 0.00 0.00 0.00 0.00 36.38 33.43 3ity s VAL 253 CO 0.02 0.02 0.18 -0.62 0.00 0.00 0.00 175.10 174.70 3ity s ASP 254 N 1.36 5.92 0.21 3.32 -1.08 -1.26 -0.22 116.67 124.92 3ity s ASP 254 Ca -0.01 -0.10 -0.20 0.00 -0.52 0.00 0.00 52.55 51.73 3ity s ASP 254 Cb -0.18 -2.10 0.18 0.00 -1.46 0.00 0.00 42.92 39.36 3ity s ASP 254 CO -0.01 -0.08 1.52 -0.11 0.52 0.00 0.00 175.17 177.02 3ity n LEU 255 N 5.05 -0.71 -0.09 -1.34 -0.00 -0.93 -1.33 117.00 117.65 3ity n LEU 255 Ca -0.14 1.72 0.00 0.00 -0.00 0.00 0.00 56.01 57.59 3ity n LEU 255 Cb 0.52 -0.36 0.01 0.00 -0.00 0.00 0.00 43.42 43.58 3ity n LEU 255 CO 0.33 -1.51 0.47 0.61 -0.00 0.00 0.00 177.39 177.29 3ity n GLY 256 N -1.42 -0.63 1.84 -3.96 0.00 -1.26 -4.03 105.19 95.72 3ity n GLY 256 Ca 0.09 -0.01 -0.05 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 -0.40 2.13 -4.46 1.61 8.25 -0.44 -3.23 115.22 118.67 3ity n HIS 257 Ca 0.00 -1.04 -0.24 0.00 -0.26 0.00 0.00 57.72 56.18 3ity n HIS 257 Cb 0.04 -0.62 -0.10 0.00 1.12 0.00 0.00 29.99 30.44 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 -2.63 2.38 0.77 4.41 3.76 -1.26 -2.56 115.29 120.16 3ity s HIS 258 Ca 0.47 -0.36 -0.13 0.00 -0.15 0.00 0.00 55.06 54.89 3ity s HIS 258 Cb 0.38 -1.14 0.06 0.00 1.11 0.00 0.00 32.58 32.99 3ity s HIS 258 CO 0.12 0.66 1.15 0.00 -0.85 0.00 0.00 174.74 175.81 3ity s ALA 259 N -2.51 2.07 0.31 -1.40 0.00 -1.26 -4.91 121.76 114.05 3ity s ALA 259 Ca 0.31 0.60 -0.29 0.00 0.00 0.00 0.00 51.96 52.58 3ity s ALA 259 Cb -0.03 -3.39 -0.13 0.00 0.00 0.00 0.00 23.12 19.57 3ity s ALA 259 CO 0.16 -1.94 1.29 -2.30 0.00 0.00 0.00 175.76 172.98 3ity n PRO 260 N -3.20 2.03 -0.86 0.00 -0.02 -1.26 -2.16 135.00 129.53 3ity n PRO 260 Ca 0.11 0.72 0.00 0.00 -2.02 0.00 0.00 63.50 62.31 3ity n PRO 260 Cb 0.52 -2.29 0.00 0.00 -0.02 0.00 0.00 33.50 31.70 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 1.15 -2.03 -4.70 2.55 3.02 -1.26 -4.98 115.26 109.00 3ity n ASN 261 Ca 0.07 0.00 -0.40 0.00 -0.03 0.00 0.00 54.58 54.21 3ity n ASN 261 Cb 0.35 -1.62 0.02 0.00 -0.61 0.00 0.00 39.78 37.91 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 -2.22 2.83 -3.03 3.41 -1.04 -0.92 -4.90 114.28 108.41 3ity n THR 262 Ca 0.00 -0.50 -0.45 0.00 -2.04 0.00 0.00 64.05 61.06 3ity n THR 262 Cb 0.11 -1.55 -0.03 0.00 -1.82 0.00 0.00 70.33 67.04 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 -0.64 6.55 0.18 8.00 3.84 -1.26 -4.87 114.94 126.74 3ity s ASN 263 Ca 0.64 -2.00 -0.09 0.00 0.21 0.00 0.00 52.86 51.62 3ity s ASN 263 Cb -0.49 -2.35 0.06 0.00 -0.55 0.00 0.00 41.25 37.92 3ity s ASN 263 CO 0.56 -1.00 1.59 0.40 -2.79 0.00 0.00 177.10 175.85 3ity h ILE 264 N 5.65 1.27 -0.11 -5.21 2.04 -1.98 -2.99 117.51 116.18 3ity h ILE 264 Ca 0.04 -1.32 0.01 0.00 1.00 0.00 0.00 64.86 64.60 3ity h ILE 264 Cb 1.04 1.05 -0.01 0.00 -0.74 0.00 0.00 36.82 38.17 3ity h ILE 264 CO 1.04 0.46 0.08 1.05 0.00 0.00 0.00 178.15 180.78 3ity h GLU 265 N 0.86 0.10 -0.27 2.37 9.09 -1.89 -1.08 114.58 123.75 3ity h GLU 265 Ca 0.12 -0.01 -0.17 0.00 0.05 0.00 0.00 59.36 59.35 3ity h GLU 265 Cb 0.73 -0.02 -0.00 0.00 -1.65 0.00 0.00 28.75 27.81 3ity h GLU 265 CO 0.06 0.06 -0.51 1.98 0.05 0.00 0.00 179.01 180.65 3ity h MET 266 N 0.10 0.79 -0.66 1.06 4.05 -1.91 -1.95 114.93 116.41 3ity h MET 266 Ca 0.05 -0.48 0.01 0.00 -0.28 0.00 0.00 59.70 59.00 3ity h MET 266 Cb 0.06 0.05 -0.03 0.00 -0.80 0.00 0.00 31.60 30.87 3ity h MET 266 CO -0.01 1.11 0.43 0.82 0.23 0.00 0.00 176.91 179.49 3ity h ILE 267 N 0.61 1.16 -0.48 1.77 2.04 -1.18 0.55 117.51 121.97 3ity h ILE 267 Ca 0.02 -0.30 0.02 0.00 1.00 0.00 0.00 64.86 65.60 3ity h ILE 267 Cb 1.10 0.20 -0.03 0.00 -0.74 0.00 0.00 36.82 37.35 3ity h ILE 267 CO 0.11 0.16 0.29 0.58 0.00 0.00 0.00 178.15 179.29 3ity h VAL 268 N 0.88 1.06 -0.49 1.67 2.07 -1.13 -1.48 116.25 118.83 3ity h VAL 268 Ca 0.25 -0.20 -0.04 0.00 0.82 0.00 0.00 66.70 67.53 3ity h VAL 268 Cb -0.09 0.42 -0.02 0.00 -1.52 0.00 0.00 31.29 30.08 3ity h VAL 268 CO -0.06 0.11 0.17 0.00 0.02 0.00 0.00 177.57 177.80 3ity h ALA 269 N 1.21 0.64 -0.43 1.67 0.00 -0.70 -1.91 119.26 119.74 3ity h ALA 269 Ca 0.19 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.93 3ity h ALA 269 Cb 0.01 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.59 3ity h ALA 269 CO -0.08 0.27 0.27 0.00 0.00 0.00 0.00 179.25 179.71 3ity h ARG 270 N 0.65 0.57 -0.58 0.00 2.47 -0.61 -0.37 114.38 116.51 3ity h ARG 270 Ca 0.16 -0.04 -0.06 0.00 -1.26 0.00 0.00 59.98 58.78 3ity h ARG 270 Cb 0.25 -0.12 -0.03 0.00 -1.65 0.00 0.00 29.97 28.42 3ity h ARG 270 CO -0.01 0.40 0.13 -0.07 0.56 0.00 0.00 179.97 180.98 3ity h LEU 271 N 0.57 0.85 -0.39 3.04 3.38 -1.18 -2.34 115.31 119.24 3ity h LEU 271 Ca 0.15 -0.16 -0.08 0.00 0.09 0.00 0.00 57.88 57.88 3ity h LEU 271 Cb -0.03 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.48 3ity h LEU 271 CO -0.03 0.84 -0.05 0.40 0.09 0.00 0.00 178.44 179.68 3ity h ILE 272 N 0.86 1.27 -0.70 1.22 2.04 -0.99 0.20 117.51 121.41 3ity h ILE 272 Ca 0.18 -1.10 0.06 0.00 1.00 0.00 0.00 64.86 65.00 3ity h ILE 272 Cb 0.33 1.19 -0.04 0.00 -0.74 0.00 0.00 36.82 37.56 3ity h ILE 272 CO 0.00 0.37 0.46 -0.61 0.00 0.00 0.00 178.15 178.37 3ity h GLN 273 N 0.54 0.73 -0.62 2.37 4.15 -0.77 -1.67 115.11 119.84 3ity h GLN 273 Ca 0.10 -0.04 0.00 0.00 0.77 0.00 0.00 58.65 59.48 3ity h GLN 273 Cb 0.55 -0.16 0.00 0.00 0.21 0.00 0.00 27.48 28.08 3ity h GLN 273 CO 0.03 0.48 0.00 1.19 -1.93 0.00 0.00 178.83 178.60 3ity n PHE 274 N -4.47 1.87 -2.21 3.99 3.72 -0.91 -4.95 117.46 114.50 3ity n PHE 274 Ca 0.10 -0.68 -0.20 0.00 -0.05 0.00 0.00 57.45 56.61 3ity n PHE 274 Cb 0.20 -0.41 -0.03 0.00 -0.94 0.00 0.00 39.48 38.31 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 0.86 0.09 0.25 1.37 0.00 -0.63 -4.90 105.19 102.23 3ity n GLY 275 Ca 0.27 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.37 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 -2.84 1.98 -2.85 1.61 4.76 0.63 -4.87 118.16 116.57 3ity n LYS 276 Ca -0.23 -2.43 -0.43 0.00 -2.87 0.00 0.00 58.31 52.35 3ity n LYS 276 Cb 0.68 -1.47 -0.04 0.00 -1.84 0.00 0.00 35.03 32.36 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 -2.46 4.35 0.21 -0.35 2.96 -1.17 -0.08 118.68 122.13 3ity s LEU 277 Ca 0.28 -0.93 0.10 0.00 -0.22 0.00 0.00 54.13 53.36 3ity s LEU 277 Cb 0.24 -2.45 0.09 0.00 0.50 0.00 0.00 46.19 44.56 3ity s LEU 277 CO 0.04 -1.43 1.45 1.23 -1.32 0.00 0.00 176.35 176.32 3ity h GLY 278 N 11.34 0.00 0.00 7.98 0.00 -0.61 -3.41 103.07 118.36 3ity h GLY 278 Ca -0.29 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.04 3ity h GLY 278 CO 1.17 0.00 0.00 0.61 0.00 0.00 0.00 176.54 178.32 3ity n GLY 279 N 0.87 1.33 3.28 4.60 0.00 -1.20 -0.48 105.19 113.60 3ity n GLY 279 Ca -0.00 -0.98 -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 2.42 -0.30 1.61 2.19 -1.26 -1.75 117.98 118.89 3ity s PHE 280 Ca 0.00 -0.64 -0.08 0.00 0.33 0.00 0.00 56.93 56.54 3ity s PHE 280 Cb 0.00 -1.58 0.00 0.00 -1.31 0.00 0.00 43.02 40.13 3ity s PHE 280 CO 0.00 -0.17 0.12 -1.01 1.83 0.00 0.00 175.22 175.99 3ity s HIS 281 N -0.28 3.16 0.20 10.12 3.76 0.70 -2.22 115.29 130.73 3ity s HIS 281 Ca -0.00 -0.78 -0.23 0.00 -0.15 0.00 0.00 55.06 53.90 3ity s HIS 281 Cb -0.13 -2.31 -0.08 0.00 1.11 0.00 0.00 32.58 31.17 3ity s HIS 281 CO 0.02 -0.52 0.76 -0.06 -0.85 0.00 0.00 174.74 174.10 3ity s PHE 282 N 1.56 3.78 0.00 1.40 0.08 0.07 -2.20 117.98 122.67 3ity s PHE 282 Ca 0.04 1.54 0.00 0.00 0.12 0.00 0.00 56.93 58.62 3ity s PHE 282 Cb -0.17 -2.71 0.00 0.00 -0.57 0.00 0.00 43.02 39.57 3ity s PHE 282 CO 0.04 0.42 0.00 0.27 -0.10 0.00 0.00 175.22 175.85 3ity n ASN 283 N 1.15 0.00 -4.38 1.36 0.23 -1.26 -1.43 115.26 110.92 3ity n ASN 283 Ca -0.04 0.00 -0.19 0.00 -0.53 0.00 0.00 54.58 53.82 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 2.07 0.17 0.53 -1.08 0.63 -4.60 116.67 114.39 3ity s ASP 284 Ca 0.00 -1.29 -0.23 0.00 -0.52 0.00 0.00 52.55 50.51 3ity s ASP 284 Cb 0.00 -0.03 0.06 0.00 -1.46 0.00 0.00 42.92 41.49 3ity s ASP 284 CO 0.00 -0.55 0.69 -0.94 0.52 0.00 0.00 175.17 174.89 3ity s SER 285 N -3.39 -0.44 0.00 -0.34 1.04 -1.26 -1.44 113.70 107.87 3ity s SER 285 Ca 0.32 -0.17 0.00 0.00 0.48 0.00 0.00 55.95 56.59 3ity s SER 285 Cb 0.07 0.59 0.00 0.00 0.10 0.00 0.00 66.02 66.78 3ity s SER 285 CO 0.12 -1.01 0.00 1.17 0.98 0.00 0.00 173.24 174.50 3ity n LYS 286 N -0.39 1.59 -0.04 4.02 4.81 -1.26 -4.74 118.16 122.15 3ity n LYS 286 Ca -0.12 0.00 -0.09 0.00 -0.87 0.00 0.00 58.31 57.23 3ity n LYS 286 Cb 0.63 -0.78 -0.03 0.00 0.02 0.00 0.00 35.03 34.87 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 -1.56 0.00 0.00 5.64 4.01 -1.26 -5.09 117.16 118.90 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 0.28 -0.31 0.00 0.00 -0.31 0.00 0.00 39.34 39.00 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 2.47 4.28 2.96 2.72 0.00 -1.26 -4.91 105.19 111.46 3ity n GLY 288 Ca -0.17 -0.40 -0.43 0.00 0.00 0.00 0.00 46.02 45.03 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 4.91 0.25 1.61 4.64 -1.20 -4.70 116.55 122.06 3ity n ASP 289 Ca 0.00 -3.04 0.14 0.00 -1.38 0.00 0.00 54.79 50.51 3ity n ASP 289 Cb 0.00 -1.53 0.56 0.00 -1.04 0.00 0.00 41.12 39.11 3ity n ASP 289 CO 0.00 0.00 0.00 0.44 -0.82 0.00 0.00 177.20 176.82 3ity h ASP 290 N 6.05 0.00 -6.34 1.67 3.32 -1.83 -3.47 116.42 115.83 3ity h ASP 290 Ca 0.41 0.00 -0.48 0.00 0.02 0.00 0.00 57.03 56.98 3ity h ASP 290 Cb 0.67 0.00 -0.05 0.00 0.22 0.00 0.00 39.33 40.17 3ity h ASP 290 CO 1.61 0.09 -0.77 0.47 -1.72 0.00 0.00 179.24 178.92 3ity n ASP 291 N -3.21 -4.63 -4.91 6.45 8.00 -1.24 -4.75 116.55 112.25 3ity n ASP 291 Ca 0.01 -0.80 -0.28 0.00 0.71 0.00 0.00 54.79 54.43 3ity n ASP 291 Cb 0.37 -3.79 0.05 0.00 -0.02 0.00 0.00 41.12 37.73 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 -7.28 2.93 0.07 0.64 1.43 -0.52 -0.97 118.68 114.98 3ity s LEU 292 Ca 0.66 0.78 -0.35 0.00 -1.03 0.00 0.00 54.13 54.19 3ity s LEU 292 Cb -0.33 -3.50 -0.14 0.00 0.03 0.00 0.00 46.19 42.24 3ity s LEU 292 CO 0.84 -1.40 1.57 0.47 0.23 0.00 0.00 176.35 178.07 3ity n ASP 293 N -2.89 2.70 -4.61 2.29 9.92 -1.26 -0.27 116.55 122.43 3ity n ASP 293 Ca 0.07 1.07 -0.50 0.00 -0.53 0.00 0.00 54.79 54.90 3ity n ASP 293 Cb 0.59 -1.33 -0.05 0.00 -0.64 0.00 0.00 41.12 39.68 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 3.84 -0.24 -0.90 2.24 0.00 -1.26 -1.76 120.51 122.44 3ity n ALA 294 Ca 0.19 0.49 0.00 0.00 0.00 0.00 0.00 53.44 54.11 3ity n ALA 294 Cb 0.25 -2.15 0.00 0.00 0.00 0.00 0.00 19.45 17.55 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 2.64 0.67 0.18 0.00 0.00 -1.26 -4.74 105.19 102.68 3ity n GLY 295 Ca 0.17 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.32 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 -1.71 -3.30 119.26 119.86 3ity h ALA 296 Ca 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 54.91 54.77 3ity h ALA 296 Cb 0.05 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 17.82 3ity h ALA 296 CO 0.00 0.00 -1.36 -0.89 0.00 0.00 0.00 179.25 177.00 3ity n ILE 297 N -2.74 0.67 -3.51 0.00 2.08 -1.26 -4.92 119.36 109.67 3ity n ILE 297 Ca 0.04 -0.07 -0.27 0.00 0.56 0.00 0.00 62.75 63.01 3ity n ILE 297 Cb 0.43 -1.67 -0.10 0.00 -0.75 0.00 0.00 39.64 37.55 3ity n ILE 297 CO 0.00 0.00 0.00 -0.62 0.56 0.00 0.00 176.55 176.49 3ity n GLU 298 N -3.51 1.22 0.25 0.38 1.02 -1.26 -4.96 120.64 113.78 3ity n GLU 298 Ca -0.17 -3.86 0.09 0.00 -0.02 0.00 0.00 57.16 53.20 3ity n GLU 298 Cb 0.57 -1.88 0.64 0.00 -0.02 0.00 0.00 31.44 30.75 3ity n GLU 298 CO 0.00 0.00 0.00 -1.00 1.18 0.00 0.00 177.13 177.31 3ity h PRO 299 N 4.97 0.00 -0.46 3.49 0.13 -1.92 -2.68 132.00 135.54 3ity h PRO 299 Ca 0.18 0.00 -0.14 0.00 -0.87 0.00 0.00 66.00 65.17 3ity h PRO 299 Cb 0.81 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.93 3ity h PRO 299 CO 0.58 0.13 -0.25 -0.92 -0.23 0.00 0.00 178.00 177.30 3ity h TYR 300 N 0.00 1.14 -0.85 1.56 3.20 -1.92 -1.63 116.97 118.47 3ity h TYR 300 Ca -0.00 -0.29 -0.00 0.00 3.14 0.00 0.00 58.73 61.57 3ity h TYR 300 Cb 0.27 -0.26 -0.04 0.00 1.54 0.00 0.00 36.73 38.24 3ity h TYR 300 CO 0.00 1.12 0.52 -0.09 -1.64 0.00 0.00 178.16 178.07 3ity h ARG 301 N 0.83 1.14 -0.69 1.82 2.43 -1.91 0.16 114.38 118.16 3ity h ARG 301 Ca 0.10 -0.09 -0.06 0.00 -0.81 0.00 0.00 59.98 59.12 3ity h ARG 301 Cb 0.84 -0.24 -0.03 0.00 -0.42 0.00 0.00 29.97 30.12 3ity h ARG 301 CO 0.07 0.79 0.21 1.25 -1.51 0.00 0.00 179.97 180.78 3ity h LEU 302 N 1.16 0.99 -0.54 3.80 5.85 -1.30 -1.06 115.31 124.21 3ity h LEU 302 Ca 0.31 -0.18 -0.12 0.00 0.84 0.00 0.00 57.88 58.73 3ity h LEU 302 Cb -0.07 -0.26 -0.02 0.00 0.37 0.00 0.00 40.66 40.68 3ity h LEU 302 CO -0.06 0.93 -0.12 0.15 -0.34 0.00 0.00 178.44 178.99 3ity h PHE 303 N 1.02 1.17 -0.02 1.25 3.57 -0.26 -2.01 116.94 121.65 3ity h PHE 303 Ca 0.22 -0.25 -0.07 0.00 3.53 0.00 0.00 57.97 61.41 3ity h PHE 303 Cb 0.30 -0.29 -0.01 0.00 2.79 0.00 0.00 35.95 38.74 3ity h PHE 303 CO 0.02 1.08 -0.30 -0.07 -2.23 0.00 0.00 178.31 176.82 3ity h LEU 304 N 0.92 0.04 -0.22 0.59 3.38 -0.18 0.16 115.31 120.00 3ity h LEU 304 Ca 0.14 -0.01 -0.10 0.00 0.09 0.00 0.00 57.88 58.00 3ity h LEU 304 Cb 0.70 -0.01 -0.00 0.00 0.09 0.00 0.00 40.66 41.44 3ity h LEU 304 CO 0.05 0.34 -0.26 0.58 0.09 0.00 0.00 178.44 179.24 3ity h VAL 305 N 0.03 1.33 0.00 1.22 2.07 -1.00 -2.96 116.25 116.94 3ity h VAL 305 Ca 0.00 -1.44 -0.02 0.00 0.82 0.00 0.00 66.70 66.06 3ity h VAL 305 Cb 0.55 1.76 -0.00 0.00 -1.52 0.00 0.00 31.29 32.07 3ity h VAL 305 CO 0.04 0.45 -0.11 -0.26 0.02 0.00 0.00 177.57 177.70 3ity h PHE 306 N 0.24 0.00 -0.47 1.57 0.04 -0.72 -1.98 116.94 115.62 3ity h PHE 306 Ca 0.03 0.00 -0.08 0.00 2.80 0.00 0.00 57.97 60.72 3ity h PHE 306 Cb 0.82 0.00 -0.02 0.00 2.20 0.00 0.00 35.95 38.95 3ity h PHE 306 CO 0.08 0.11 -0.03 -0.97 -0.60 0.00 0.00 178.31 176.90 3ity h ASN 307 N 0.00 0.78 -0.13 2.17 -1.24 -0.54 0.24 115.58 116.86 3ity h ASN 307 Ca -0.00 -0.20 -0.22 0.00 0.71 0.00 0.00 56.30 56.59 3ity h ASN 307 Cb 0.54 -0.21 0.01 0.00 0.73 0.00 0.00 38.32 39.39 3ity h ASN 307 CO 0.01 0.86 -0.75 -0.33 -1.29 0.00 0.00 177.43 175.93 3ity h GLU 308 N 0.74 0.78 -0.49 6.67 4.39 -1.30 -2.27 114.58 123.11 3ity h GLU 308 Ca 0.14 -0.62 -0.11 0.00 0.34 0.00 0.00 59.36 59.11 3ity h GLU 308 Cb 0.50 0.12 -0.01 0.00 -0.10 0.00 0.00 28.75 29.26 3ity h GLU 308 CO 0.03 1.23 -0.12 -0.07 -1.16 0.00 0.00 179.01 178.91 3ity h LEU 309 N 0.54 0.95 -0.61 1.33 3.38 -1.04 -2.59 115.31 117.27 3ity h LEU 309 Ca -0.04 -0.36 -0.14 0.00 0.09 0.00 0.00 57.88 57.42 3ity h LEU 309 Cb 1.38 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 41.86 3ity h LEU 309 CO 0.15 1.09 -0.45 0.58 0.09 0.00 0.00 178.44 179.91 3ity h VAL 310 N 0.79 1.30 -0.52 1.22 2.07 -0.57 -0.43 116.25 120.13 3ity h VAL 310 Ca 0.12 -1.64 -0.00 0.00 0.82 0.00 0.00 66.70 66.00 3ity h VAL 310 Cb 0.68 1.61 -0.03 0.00 -1.52 0.00 0.00 31.29 32.03 3ity h VAL 310 CO 0.05 0.52 0.32 -0.78 0.02 0.00 0.00 177.57 177.69 3ity h ASP 311 N 0.47 0.61 -0.53 0.57 1.82 -1.34 0.19 116.42 118.22 3ity h ASP 311 Ca 0.03 -0.05 -0.12 0.00 -0.39 0.00 0.00 57.03 56.50 3ity h ASP 311 Cb 0.97 -0.15 -0.02 0.00 0.68 0.00 0.00 39.33 40.81 3ity h ASP 311 CO 0.09 0.48 -0.15 0.00 -1.61 0.00 0.00 179.24 178.04 3ity h ALA 312 N 1.16 0.73 -0.58 -0.78 0.00 -1.26 -3.02 119.26 115.51 3ity h ALA 312 Ca 0.19 -0.37 -0.05 0.00 0.00 0.00 0.00 54.91 54.67 3ity h ALA 312 Cb -0.03 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 17.55 3ity h ALA 312 CO -0.04 0.68 0.16 1.49 0.00 0.00 0.00 179.25 181.54 3ity h GLU 313 N 0.90 0.89 -0.86 0.00 4.81 -0.66 0.40 114.58 120.07 3ity h GLU 313 Ca 0.13 -0.18 -0.01 0.00 -0.13 0.00 0.00 59.36 59.16 3ity h GLU 313 Cb 0.73 -0.13 -0.04 0.00 0.63 0.00 0.00 28.75 29.93 3ity h GLU 313 CO 0.06 0.79 0.48 0.00 -0.73 0.00 0.00 179.01 179.61 3ity h ALA 314 N 1.31 1.10 0.00 2.92 0.00 -0.84 -3.09 119.26 120.66 3ity h ALA 314 Ca 0.19 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.98 3ity h ALA 314 Cb 0.29 -0.35 0.00 0.00 0.00 0.00 0.00 17.79 17.73 3ity h ALA 314 CO -0.00 0.60 -1.33 0.54 0.00 0.00 0.00 179.25 179.06 3ity n ARG 315 N -4.37 0.46 -2.59 0.00 1.74 -1.09 -5.03 116.66 105.78 3ity n ARG 315 Ca 0.09 -0.04 -0.03 0.00 -0.77 0.00 0.00 57.85 57.10 3ity n ARG 315 Cb 0.09 -1.62 0.00 0.00 -1.02 0.00 0.00 32.46 29.91 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 1.30 -1.08 3.76 -0.13 0.00 0.14 -4.97 105.19 104.20 3ity n GLY 316 Ca -0.00 0.60 -0.40 0.00 0.00 0.00 0.00 46.02 46.22 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 -2.62 3.68 0.14 1.61 1.01 -1.17 -4.97 120.40 118.08 3ity s VAL 317 Ca 0.09 1.67 -0.35 0.00 0.00 0.00 0.00 61.98 63.40 3ity s VAL 317 Cb -0.03 -4.06 -0.15 0.00 0.00 0.00 0.00 36.38 32.15 3ity s VAL 317 CO 0.57 0.39 1.51 1.17 0.00 0.00 0.00 175.10 178.74 3ity n LYS 318 N 1.23 1.89 -0.99 2.72 4.81 -1.26 -0.98 118.16 125.57 3ity n LYS 318 Ca -0.01 0.68 0.00 0.00 -0.87 0.00 0.00 58.31 58.11 3ity n LYS 318 Cb 0.46 -2.41 0.00 0.00 0.02 0.00 0.00 35.03 33.09 3ity n LYS 318 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 3ity n GLY 319 N 3.15 0.86 3.35 3.14 0.00 -1.26 -4.56 105.19 109.86 3ity n GLY 319 Ca 0.17 0.00 -0.46 0.00 0.00 0.00 0.00 46.02 45.74 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 -3.49 3.25 -0.43 1.61 5.36 -0.15 -4.72 117.98 119.41 3ity s PHE 320 Ca 0.00 -1.31 0.08 0.00 -0.96 0.00 0.00 56.93 54.74 3ity s PHE 320 Cb 0.00 -3.91 0.31 0.00 -0.34 0.00 0.00 43.02 39.08 3ity s PHE 320 CO 0.00 -1.14 0.90 0.72 -1.46 0.00 0.00 175.22 174.23 3ity n HIS 321 N 5.48 -1.65 -1.52 10.12 8.25 -1.26 -4.75 115.22 129.89 3ity n HIS 321 Ca -0.05 -2.80 -0.43 0.00 -0.26 0.00 0.00 57.72 54.18 3ity n HIS 321 Cb 0.43 0.73 -0.00 0.00 1.12 0.00 0.00 29.99 32.26 3ity n HIS 321 CO 0.00 0.00 0.00 -2.30 0.64 0.00 0.00 176.34 174.68 3ity n PRO 322 N 0.61 0.90 -3.79 -0.41 -0.02 -1.26 -4.94 135.00 126.08 3ity n PRO 322 Ca 0.14 0.32 -0.33 0.00 -2.02 0.00 0.00 63.50 61.61 3ity n PRO 322 Cb 0.66 -1.65 -0.10 0.00 -0.02 0.00 0.00 33.50 32.39 3ity n PRO 322 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3ity s ALA 323 N -1.23 3.70 0.32 3.55 0.00 0.37 -4.93 121.76 123.55 3ity s ALA 323 Ca 0.62 -3.50 -0.26 0.00 0.00 0.00 0.00 51.96 48.81 3ity s ALA 323 Cb -0.67 -2.48 -0.10 0.00 0.00 0.00 0.00 23.12 19.87 3ity s ALA 323 CO 0.58 -2.10 0.95 -1.01 0.00 0.00 0.00 175.76 174.19 3ity s HIS 324 N -0.66 3.68 0.01 0.00 3.76 -1.26 -4.16 115.29 116.66 3ity s HIS 324 Ca 0.21 1.78 -0.14 0.00 -0.15 0.00 0.00 55.06 56.76 3ity s HIS 324 Cb -0.16 -2.93 0.02 0.00 1.11 0.00 0.00 32.58 30.62 3ity s HIS 324 CO -0.07 0.18 0.30 1.41 -0.85 0.00 0.00 174.74 175.70 3ity s MET 325 N -2.06 0.72 -0.03 1.40 1.75 -0.94 -1.12 119.30 119.02 3ity s MET 325 Ca 0.50 -0.35 -0.16 0.00 -1.25 0.00 0.00 55.69 54.44 3ity s MET 325 Cb -0.19 0.31 -0.05 0.00 2.84 0.00 0.00 34.83 37.74 3ity s MET 325 CO 0.24 -0.21 0.43 0.42 -0.65 0.00 0.00 175.02 175.25 3ity s ILE 326 N -1.88 5.05 -0.33 10.11 1.01 -0.07 -0.75 121.20 134.35 3ity s ILE 326 Ca -0.10 0.88 -0.01 0.00 0.00 0.00 0.00 60.65 61.42 3ity s ILE 326 Cb -0.03 -3.75 0.12 0.00 0.01 0.00 0.00 42.46 38.81 3ity s ILE 326 CO 0.01 0.51 0.16 -0.62 0.00 0.00 0.00 174.94 175.00 3ity s ASP 327 N -0.63 3.44 0.18 3.58 -1.08 -0.52 -3.82 116.67 117.82 3ity s ASP 327 Ca 0.24 -1.78 0.02 0.00 -0.52 0.00 0.00 52.55 50.50 3ity s ASP 327 Cb -0.16 -0.52 -0.05 0.00 -1.46 0.00 0.00 42.92 40.73 3ity s ASP 327 CO 0.13 -0.37 0.02 -1.10 0.52 0.00 0.00 175.17 174.36 3ity s GLN 328 N 1.50 1.15 -0.13 4.34 -0.21 -1.26 -4.56 119.66 120.49 3ity s GLN 328 Ca 0.13 -1.57 0.01 0.00 0.02 0.00 0.00 55.36 53.96 3ity s GLN 328 Cb -0.19 -0.24 0.02 0.00 1.00 0.00 0.00 33.01 33.59 3ity s GLN 328 CO -0.18 -0.16 -0.16 0.45 -2.12 0.00 0.00 175.29 173.11 3ity s SER 329 N -3.19 2.67 -0.62 5.90 0.15 -0.14 -4.70 113.70 113.77 3ity s SER 329 Ca 0.26 -0.49 -0.08 0.00 0.70 0.00 0.00 55.95 56.34 3ity s SER 329 Cb 0.06 -1.20 0.16 0.00 -1.71 0.00 0.00 66.02 63.33 3ity s SER 329 CO 0.05 0.01 0.49 -1.00 1.20 0.00 0.00 173.24 173.99 3ity s HIS 330 N 1.12 3.51 -0.19 3.44 0.09 -1.26 -4.64 115.29 117.35 3ity s HIS 330 Ca -0.03 -2.19 0.20 0.00 -0.00 0.00 0.00 55.06 53.04 3ity s HIS 330 Cb -0.14 -3.49 -0.04 0.00 -0.00 0.00 0.00 32.58 28.91 3ity s HIS 330 CO -0.05 -0.94 0.99 -0.91 -0.00 0.00 0.00 174.74 173.83 3ity h ASN 331 N 7.79 0.00 0.00 1.40 2.35 -1.94 -0.67 115.58 124.51 3ity h ASN 331 Ca -0.06 0.00 -0.04 0.00 -0.55 0.00 0.00 56.30 55.65 3ity h ASN 331 Cb 1.02 0.00 -0.09 0.00 0.05 0.00 0.00 38.32 39.31 3ity h ASN 331 CO 0.78 0.26 -0.53 1.33 -1.65 0.00 0.00 177.43 177.63 3ity n VAL 332 N -2.80 0.52 -4.17 2.81 0.24 -1.26 -4.73 118.33 108.93 3ity n VAL 332 Ca -0.04 -0.89 -0.12 0.00 -2.04 0.00 0.00 64.34 61.25 3ity n VAL 332 Cb 0.68 0.42 -0.09 0.00 -1.47 0.00 0.00 33.84 33.38 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 -0.78 0.00 -0.19 3.34 -4.23 -1.26 -5.10 115.64 107.42 3ity s THR 333 Ca 0.16 -1.89 -0.29 0.00 -1.18 0.00 0.00 61.69 58.49 3ity s THR 333 Cb 0.17 -2.46 -0.02 0.00 1.34 0.00 0.00 72.50 71.53 3ity s THR 333 CO -0.04 0.00 1.40 -0.62 -0.54 0.00 0.00 174.62 174.82 3ity s ASP 334 N -3.16 6.73 0.30 3.99 -1.08 -1.26 -4.90 116.67 117.29 3ity s ASP 334 Ca 0.36 1.64 0.05 0.00 -0.52 0.00 0.00 52.55 54.08 3ity s ASP 334 Cb 0.05 -2.54 0.74 0.00 -1.46 0.00 0.00 42.92 39.72 3ity s ASP 334 CO 0.14 -0.96 1.72 -0.65 0.52 0.00 0.00 175.17 175.94 3ity h PRO 335 N 9.14 0.49 -0.49 4.34 0.11 -1.87 -1.11 132.00 142.61 3ity h PRO 335 Ca -0.30 -0.03 -0.04 0.00 0.11 0.00 0.00 66.00 65.74 3ity h PRO 335 Cb 1.12 -0.11 -0.02 0.00 0.11 0.00 0.00 31.00 32.10 3ity h PRO 335 CO 0.99 0.32 0.15 0.82 -0.21 0.00 0.00 178.00 180.08 3ity h ILE 336 N 0.51 1.23 -0.61 4.15 2.04 -1.87 -1.18 117.51 121.78 3ity h ILE 336 Ca 0.57 -0.77 -0.06 0.00 1.00 0.00 0.00 64.86 65.60 3ity h ILE 336 Cb 1.04 0.80 -0.03 0.00 -0.74 0.00 0.00 36.82 37.89 3ity h ILE 336 CO -0.48 0.28 0.16 -0.33 0.00 0.00 0.00 178.15 177.78 3ity h GLU 337 N 0.67 0.98 -0.42 2.37 5.08 -1.64 -1.02 114.58 120.60 3ity h GLU 337 Ca 0.16 -0.23 -0.04 0.00 -1.00 0.00 0.00 59.36 58.25 3ity h GLU 337 Cb 0.28 -0.13 -0.02 0.00 0.50 0.00 0.00 28.75 29.38 3ity h GLU 337 CO -0.00 0.89 0.10 0.77 -1.00 0.00 0.00 179.01 179.76 3ity h SER 338 N 0.90 0.63 -0.28 1.42 0.02 -1.14 -1.37 113.55 113.74 3ity h SER 338 Ca 0.19 -0.23 -0.05 0.00 -0.84 0.00 0.00 61.79 60.86 3ity h SER 338 Cb 0.34 -0.17 -0.02 0.00 0.14 0.00 0.00 62.40 62.70 3ity h SER 338 CO 0.00 0.70 0.01 -0.07 -1.14 0.00 0.00 176.83 176.34 3ity h LEU 339 N 0.53 0.55 0.08 5.07 3.38 -1.06 0.11 115.31 123.98 3ity h LEU 339 Ca 0.13 -0.11 -0.00 0.00 0.09 0.00 0.00 57.88 57.99 3ity h LEU 339 Cb 0.32 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 40.92 3ity h LEU 339 CO 0.00 0.62 -0.04 0.40 0.09 0.00 0.00 178.44 179.51 3ity h ILE 340 N 0.56 1.05 0.00 1.22 2.04 -0.89 -0.88 117.51 120.61 3ity h ILE 340 Ca 0.12 -0.46 0.00 0.00 1.00 0.00 0.00 64.86 65.52 3ity h ILE 340 Cb 0.34 1.35 0.00 0.00 -0.74 0.00 0.00 36.82 37.77 3ity h ILE 340 CO 0.01 0.11 0.00 0.78 0.00 0.00 0.00 178.15 179.05 3ity h ASN 341 N -0.32 0.00 0.03 1.72 4.21 -1.01 -1.48 115.58 118.73 3ity h ASN 341 Ca -0.01 0.00 -0.17 0.00 1.21 0.00 0.00 56.30 57.32 3ity h ASN 341 Cb 0.27 0.00 0.02 0.00 -1.12 0.00 0.00 38.32 37.49 3ity h ASN 341 CO 0.02 0.00 -0.70 0.28 -1.29 0.00 0.00 177.43 175.74 3ity h SER 342 N 0.00 0.56 -0.50 5.81 0.02 -0.65 -1.50 113.55 117.29 3ity h SER 342 Ca 0.00 -0.80 -0.02 0.00 -0.84 0.00 0.00 61.79 60.13 3ity h SER 342 Cb 0.66 -0.17 -0.03 0.00 0.14 0.00 0.00 62.40 63.00 3ity h SER 342 CO 0.00 1.29 0.24 0.00 -1.14 0.00 0.00 176.83 177.22 3ity h ALA 343 N 0.28 1.41 -0.40 3.77 0.00 -1.00 -1.17 119.26 122.14 3ity h ALA 343 Ca -0.10 -0.13 -0.02 0.00 0.00 0.00 0.00 54.91 54.66 3ity h ALA 343 Cb 1.43 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 18.98 3ity h ALA 343 CO 0.14 0.46 0.16 -0.91 0.00 0.00 0.00 179.25 179.09 3ity h ASN 344 N 0.76 0.56 -0.10 0.00 -0.26 -1.20 -1.78 115.58 113.56 3ity h ASN 344 Ca 0.19 -0.17 -0.05 0.00 -0.56 0.00 0.00 56.30 55.70 3ity h ASN 344 Cb 0.12 -0.15 -0.01 0.00 -1.06 0.00 0.00 38.32 37.22 3ity h ASN 344 CO -0.02 0.58 -0.08 -0.33 -1.06 0.00 0.00 177.43 176.52 3ity h GLU 345 N 0.50 0.39 -0.18 0.81 4.39 -0.47 0.21 114.58 120.24 3ity h GLU 345 Ca 0.13 -0.09 -0.03 0.00 0.34 0.00 0.00 59.36 59.71 3ity h GLU 345 Cb 0.20 -0.05 -0.01 0.00 -0.10 0.00 0.00 28.75 28.79 3ity h GLU 345 CO -0.01 0.49 -0.01 0.82 -1.16 0.00 0.00 179.01 179.14 3ity h ILE 346 N 0.37 1.26 -0.02 3.13 2.04 -0.93 -1.43 117.51 121.94 3ity h ILE 346 Ca 0.08 -0.90 -0.08 0.00 1.00 0.00 0.00 64.86 64.96 3ity h ILE 346 Cb 0.38 1.50 -0.01 0.00 -0.74 0.00 0.00 36.82 37.95 3ity h ILE 346 CO 0.02 0.27 -0.36 0.03 0.00 0.00 0.00 178.15 178.11 3ity h ARG 347 N 0.07 0.03 -0.07 2.37 3.08 -1.02 -1.74 114.38 117.10 3ity h ARG 347 Ca 0.05 -0.01 -0.00 0.00 0.07 0.00 0.00 59.98 60.08 3ity h ARG 347 Cb 0.41 -0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.46 3ity h ARG 347 CO 0.01 0.39 0.03 -0.09 -1.07 0.00 0.00 179.97 179.24 3ity h ARG 348 N 0.03 0.10 -0.61 0.04 2.43 -0.64 0.12 114.38 115.85 3ity h ARG 348 Ca 0.00 -0.02 -0.08 0.00 -0.81 0.00 0.00 59.98 59.07 3ity h ARG 348 Cb 0.65 -0.02 -0.02 0.00 -0.42 0.00 0.00 29.97 30.16 3ity h ARG 348 CO 0.05 0.23 0.06 0.00 -1.51 0.00 0.00 179.97 178.80 3ity h ALA 349 N 0.87 0.96 -0.03 2.80 0.00 -1.13 -1.20 119.26 121.53 3ity h ALA 349 Ca 0.02 -0.28 0.00 0.00 0.00 0.00 0.00 54.91 54.66 3ity h ALA 349 Cb 0.16 -0.23 -0.00 0.00 0.00 0.00 0.00 17.79 17.72 3ity h ALA 349 CO -0.00 0.64 0.02 -0.92 0.00 0.00 0.00 179.25 178.99 3ity h TYR 350 N 0.95 0.04 -0.59 0.00 3.20 -1.07 -0.85 116.97 118.65 3ity h TYR 350 Ca 0.18 0.00 0.03 0.00 3.14 0.00 0.00 58.73 62.09 3ity h TYR 350 Cb 0.46 -0.01 -0.04 0.00 1.54 0.00 0.00 36.73 38.67 3ity h TYR 350 CO 0.03 0.04 0.35 0.00 -1.64 0.00 0.00 178.16 176.93 3ity h ALA 351 N 1.00 0.77 -0.43 1.82 0.00 -0.50 -1.46 119.26 120.46 3ity h ALA 351 Ca 0.01 -0.00 -0.08 0.00 0.00 0.00 0.00 54.91 54.84 3ity h ALA 351 Cb 0.01 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.62 3ity h ALA 351 CO -0.00 0.06 -0.06 1.96 0.00 0.00 0.00 179.25 181.20 3ity h GLN 352 N 0.67 0.74 -0.04 0.00 4.20 -1.02 -2.18 115.11 117.48 3ity h GLN 352 Ca 0.24 -0.22 -0.08 0.00 0.06 0.00 0.00 58.65 58.66 3ity h GLN 352 Cb 0.06 -0.08 -0.01 0.00 0.30 0.00 0.00 27.48 27.76 3ity h GLN 352 CO -0.12 0.79 -0.35 0.00 -0.67 0.00 0.00 178.83 178.49 3ity h ALA 353 N 1.25 1.36 0.00 3.87 0.00 -0.64 -1.83 119.26 123.26 3ity h ALA 353 Ca 0.13 -0.33 -0.03 0.00 0.00 0.00 0.00 54.91 54.67 3ity h ALA 353 Cb 0.51 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 18.23 3ity h ALA 353 CO 0.03 0.47 -0.15 -0.07 0.00 0.00 0.00 179.25 179.52 3ity h LEU 354 N 0.07 0.00 0.00 0.00 4.07 -0.64 -2.74 115.31 116.06 3ity h LEU 354 Ca 0.01 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.97 3ity h LEU 354 Cb 0.65 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.39 3ity h LEU 354 CO 0.05 0.15 -0.16 0.18 -1.08 0.00 0.00 178.44 177.58 3ity n LEU 355 N -3.58 0.67 -4.71 1.67 4.77 -0.69 -4.89 117.00 110.25 3ity n LEU 355 Ca -0.01 0.47 -0.42 0.00 -0.03 0.00 0.00 56.01 56.01 3ity n LEU 355 Cb 0.29 -0.31 -0.03 0.00 -2.33 0.00 0.00 43.42 41.04 3ity n LEU 355 CO 0.31 -0.12 1.39 0.52 -1.33 0.00 0.00 177.39 178.16 3ity n VAL 356 N -2.10 0.07 -2.55 4.08 0.31 -1.04 -4.81 118.33 112.29 3ity n VAL 356 Ca 0.05 -0.01 -0.41 0.00 -0.01 0.00 0.00 64.34 63.96 3ity n VAL 356 Cb 0.42 -2.00 -0.03 0.00 -0.91 0.00 0.00 33.84 31.32 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 1.45 6.41 0.30 4.52 -1.08 -1.26 -4.84 116.67 122.17 3ity s ASP 357 Ca 0.76 -1.22 0.00 0.00 -0.52 0.00 0.00 52.55 51.58 3ity s ASP 357 Cb -0.51 -2.57 0.52 0.00 -1.46 0.00 0.00 42.92 38.91 3ity s ASP 357 CO 0.33 -1.59 1.93 0.03 0.52 0.00 0.00 175.17 176.39 3ity h ARG 358 N 9.87 1.00 -0.04 4.34 2.47 -1.96 -0.39 114.38 129.66 3ity h ARG 358 Ca 0.09 -0.06 -0.00 0.00 -1.26 0.00 0.00 59.98 58.75 3ity h ARG 358 Cb 1.02 -0.23 -0.00 0.00 -1.65 0.00 0.00 29.97 29.11 3ity h ARG 358 CO 1.39 0.66 0.02 0.00 0.56 0.00 0.00 179.97 182.61 3ity h ALA 359 N 1.51 0.06 -0.54 0.04 0.00 -1.99 -0.10 119.26 118.24 3ity h ALA 359 Ca 0.36 -0.09 -0.03 0.00 0.00 0.00 0.00 54.91 55.16 3ity h ALA 359 Cb 0.12 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 17.87 3ity h ALA 359 CO -0.12 -0.36 0.24 0.00 0.00 0.00 0.00 179.25 179.01 3ity h ALA 360 N 0.85 0.70 -0.19 0.00 0.00 -1.90 -1.88 119.26 116.84 3ity h ALA 360 Ca 0.01 -0.14 0.01 0.00 0.00 0.00 0.00 54.91 54.80 3ity h ALA 360 Cb 0.17 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.73 3ity h ALA 360 CO -0.00 0.29 0.09 1.25 0.00 0.00 0.00 179.25 180.87 3ity h LEU 361 N 0.73 0.13 -1.19 0.00 5.85 -0.95 -1.34 115.31 118.55 3ity h LEU 361 Ca 0.18 0.01 0.05 0.00 0.84 0.00 0.00 57.88 58.96 3ity h LEU 361 Cb 0.16 -0.02 -0.05 0.00 0.37 0.00 0.00 40.66 41.12 3ity h LEU 361 CO -0.02 0.10 0.56 -1.28 -0.34 0.00 0.00 178.44 177.47 3ity h SER 362 N 0.19 0.89 -0.33 1.25 0.87 -0.83 -0.49 113.55 115.10 3ity h SER 362 Ca 0.08 -0.00 -0.02 0.00 -1.23 0.00 0.00 61.79 60.62 3ity h SER 362 Cb 0.02 -0.20 -0.01 0.00 -0.44 0.00 0.00 62.40 61.77 3ity h SER 362 CO -0.06 0.60 0.14 1.23 -0.53 0.00 0.00 176.83 178.22 3ity h GLY 363 N 1.03 0.51 2.00 5.77 0.00 -0.65 -1.40 103.07 110.34 3ity h GLY 363 Ca 0.35 -0.27 -0.07 0.00 0.00 0.00 0.00 47.33 47.34 3ity h GLY 363 CO -0.11 0.25 -0.32 -0.97 0.00 0.00 0.00 176.54 175.39 3ity h TYR 364 N 0.38 0.00 -0.14 5.60 0.05 -0.62 -2.06 116.97 120.18 3ity h TYR 364 Ca 0.11 0.00 -0.12 0.00 0.05 0.00 0.00 58.73 58.77 3ity h TYR 364 Cb 0.16 0.00 0.00 0.00 1.01 0.00 0.00 36.73 37.90 3ity h TYR 364 CO -0.01 0.32 -0.38 1.96 -1.05 0.00 0.00 178.16 179.00 3ity h GLN 365 N 0.00 0.51 -0.48 4.88 4.20 -0.81 -0.33 115.11 123.07 3ity h GLN 365 Ca -0.00 -0.36 -0.07 0.00 0.06 0.00 0.00 58.65 58.28 3ity h GLN 365 Cb 0.72 0.06 -0.02 0.00 0.30 0.00 0.00 27.48 28.53 3ity h GLN 365 CO 0.04 0.97 0.03 0.93 -0.67 0.00 0.00 178.83 180.13 3ity h GLU 366 N 0.12 0.79 -0.01 1.46 4.39 -1.09 -2.60 114.58 117.64 3ity h GLU 366 Ca -0.01 -0.20 0.00 0.00 0.34 0.00 0.00 59.36 59.50 3ity h GLU 366 Cb 0.99 -0.10 0.00 0.00 -0.10 0.00 0.00 28.75 29.54 3ity h GLU 366 CO 0.08 0.77 -0.03 -0.25 -1.16 0.00 0.00 179.01 178.43 3ity n ASP 367 N -4.23 0.74 -3.47 1.42 10.43 -0.79 -4.92 116.55 115.72 3ity n ASP 367 Ca 0.03 -1.13 -0.24 0.00 2.57 0.00 0.00 54.79 56.02 3ity n ASP 367 Cb 0.28 -0.01 0.06 0.00 1.84 0.00 0.00 41.12 43.29 3ity n ASP 367 CO 0.00 0.00 0.00 0.59 -1.07 0.00 0.00 177.20 176.72 3ity n ASN 368 N -0.49 -6.12 -4.34 -2.24 4.13 -0.85 -4.91 115.26 100.44 3ity n ASN 368 Ca 0.20 -0.49 -0.45 0.00 1.68 0.00 0.00 54.58 55.52 3ity n ASN 368 Cb 0.25 -4.86 0.00 0.00 -1.54 0.00 0.00 39.78 33.63 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 -2.85 5.50 -0.35 6.41 4.64 -0.19 -4.87 116.55 124.84 3ity n ASP 369 Ca -0.02 -3.05 0.02 0.00 -1.38 0.00 0.00 54.79 50.36 3ity n ASP 369 Cb 0.57 -1.42 0.17 0.00 -1.04 0.00 0.00 41.12 39.40 3ity n ASP 369 CO 0.00 0.00 0.00 0.00 -0.82 0.00 0.00 177.20 176.38 3ity h ALA 370 N 6.66 1.33 -0.07 -1.67 0.00 -1.91 -1.05 119.26 122.56 3ity h ALA 370 Ca 0.22 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 55.11 3ity h ALA 370 Cb 0.85 -0.28 -0.00 0.00 0.00 0.00 0.00 17.79 18.36 3ity h ALA 370 CO 1.10 0.39 0.04 1.25 0.00 0.00 0.00 179.25 182.02 3ity h LEU 371 N 1.11 0.09 -0.90 0.00 6.46 -1.96 -1.23 115.31 118.88 3ity h LEU 371 Ca 0.42 -0.11 -0.10 0.00 -0.12 0.00 0.00 57.88 57.97 3ity h LEU 371 Cb 0.18 -0.02 -0.01 0.00 -0.73 0.00 0.00 40.66 40.07 3ity h LEU 371 CO -0.18 0.17 -0.49 0.24 -0.62 0.00 0.00 178.44 177.56 3ity h MET 372 N 0.00 0.00 -0.19 1.25 2.86 -1.92 -1.39 114.93 115.54 3ity h MET 372 Ca 0.02 0.00 -0.03 0.00 -2.06 0.00 0.00 59.70 57.64 3ity h MET 372 Cb 0.10 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 31.76 3ity h MET 372 CO -0.00 0.49 0.02 0.00 1.06 0.00 0.00 176.91 178.48 3ity h ALA 373 N 1.51 0.25 -0.14 6.32 0.00 -0.98 0.08 119.26 126.30 3ity h ALA 373 Ca -0.00 -0.18 -0.11 0.00 0.00 0.00 0.00 54.91 54.61 3ity h ALA 373 Cb 0.96 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.67 3ity h ALA 373 CO 0.06 -0.06 -0.38 0.00 0.00 0.00 0.00 179.25 178.87 3ity h THR 374 N 0.10 1.30 0.00 0.00 1.03 -1.13 -2.44 112.91 111.76 3ity h THR 374 Ca 0.06 -1.47 -0.09 0.00 -0.01 0.00 0.00 66.41 64.90 3ity h THR 374 Cb 0.34 1.61 -0.01 0.00 -1.07 0.00 0.00 68.15 69.02 3ity h THR 374 CO 0.01 0.45 -0.42 -0.08 -0.01 0.00 0.00 175.52 175.46 3ity h GLU 375 N 0.26 0.00 -0.19 0.00 4.57 -1.06 -1.34 114.58 116.82 3ity h GLU 375 Ca 0.03 0.00 -0.11 0.00 -1.18 0.00 0.00 59.36 58.10 3ity h GLU 375 Cb 0.79 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 29.37 3ity h GLU 375 CO 0.06 0.42 -0.36 1.15 -1.18 0.00 0.00 179.01 179.10 3ity h THR 376 N 0.00 1.29 -0.09 0.32 2.02 -0.49 -0.17 112.91 115.79 3ity h THR 376 Ca -0.00 -1.45 -0.13 0.00 0.77 0.00 0.00 66.41 65.59 3ity h THR 376 Cb 0.84 1.54 0.01 0.00 -1.74 0.00 0.00 68.15 68.80 3ity h THR 376 CO 0.05 0.45 -0.47 -0.07 0.37 0.00 0.00 175.52 175.86 3ity h LEU 377 N 0.35 0.56 -1.16 2.58 3.38 -1.25 -3.26 115.31 116.50 3ity h LEU 377 Ca 0.04 -0.65 0.02 0.00 0.09 0.00 0.00 57.88 57.37 3ity h LEU 377 Cb 0.79 -0.17 -0.05 0.00 0.09 0.00 0.00 40.66 41.33 3ity h LEU 377 CO 0.06 1.12 0.57 0.11 0.09 0.00 0.00 178.44 180.40 3ity h LYS 378 N 0.04 1.10 -0.58 1.13 1.79 -1.01 -0.84 116.57 118.19 3ity h LYS 378 Ca -0.03 -0.07 0.06 0.00 -2.18 0.00 0.00 60.65 58.43 3ity h LYS 378 Cb 1.12 -0.25 -0.03 0.00 -1.58 0.00 0.00 32.23 31.49 3ity h LYS 378 CO 0.10 0.73 0.39 0.00 -1.08 0.00 0.00 179.45 179.58 3ity h ARG 379 N 1.14 0.53 0.01 3.15 3.08 -1.08 0.65 114.38 121.86 3ity h ARG 379 Ca 0.33 -0.03 -0.02 0.00 0.07 0.00 0.00 59.98 60.33 3ity h ARG 379 Cb -0.08 -0.12 0.00 0.00 0.08 0.00 0.00 29.97 29.85 3ity h ARG 379 CO -0.08 0.35 -0.06 0.00 -1.07 0.00 0.00 179.97 179.11 3ity h ALA 380 N 1.68 0.00 -0.92 0.04 0.00 -1.42 -3.27 119.26 115.36 3ity h ALA 380 Ca 0.25 -0.45 0.01 0.00 0.00 0.00 0.00 54.91 54.72 3ity h ALA 380 Cb 0.29 0.01 -0.05 0.00 0.00 0.00 0.00 17.79 18.04 3ity h ALA 380 CO -0.07 -0.02 0.61 -0.92 0.00 0.00 0.00 179.25 178.85 3ity h TYR 381 N -0.82 1.16 0.00 0.00 3.20 -0.57 -2.29 116.97 117.65 3ity h TYR 381 Ca -0.01 0.03 0.00 0.00 3.14 0.00 0.00 58.73 61.89 3ity h TYR 381 Cb 0.93 -0.39 0.00 0.00 1.54 0.00 0.00 36.73 38.81 3ity h TYR 381 CO 0.23 0.73 0.00 0.00 -1.64 0.00 0.00 178.16 177.48 3ity h ARG 382 N 1.25 0.00 -6.47 1.82 3.08 0.16 -3.44 114.38 110.78 3ity h ARG 382 Ca 0.34 0.00 -0.53 0.00 0.07 0.00 0.00 59.98 59.86 3ity h ARG 382 Cb -0.14 0.00 0.01 0.00 0.08 0.00 0.00 29.97 29.93 3ity h ARG 382 CO -0.08 0.00 0.80 0.99 -1.07 0.00 0.00 179.97 180.62 3ity s THR 383 N -3.46 3.39 -0.66 2.04 2.01 -0.86 -4.95 115.64 113.16 3ity s THR 383 Ca 0.03 0.92 -0.25 0.00 0.31 0.00 0.00 61.69 62.69 3ity s THR 383 Cb 0.09 -3.59 0.04 0.00 0.01 0.00 0.00 72.50 69.06 3ity s THR 383 CO 0.45 0.04 1.12 -0.62 -0.69 0.00 0.00 174.62 174.91 3ity s ASP 384 N 1.56 6.24 0.00 3.53 -1.08 -1.26 -4.87 116.67 120.80 3ity s ASP 384 Ca 0.66 -0.49 0.14 0.00 -0.52 0.00 0.00 52.55 52.34 3ity s ASP 384 Cb -0.35 -2.50 0.40 0.00 -1.46 0.00 0.00 42.92 39.00 3ity s ASP 384 CO 0.29 -1.56 1.33 1.33 0.52 0.00 0.00 175.17 177.08 3ity n VAL 385 N 6.27 0.56 -0.32 1.11 0.24 -1.26 -4.42 118.33 120.51 3ity n VAL 385 Ca 0.02 -0.57 0.10 0.00 -2.04 0.00 0.00 64.34 61.84 3ity n VAL 385 Cb 0.48 0.30 0.27 0.00 -1.47 0.00 0.00 33.84 33.41 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 2.54 0.63 -0.73 7.34 4.57 -1.97 0.82 114.58 127.77 3ity h GLU 386 Ca 0.00 -0.04 0.07 0.00 -1.18 0.00 0.00 59.36 58.21 3ity h GLU 386 Cb 0.58 -0.14 -0.05 0.00 -0.16 0.00 0.00 28.75 28.98 3ity h GLU 386 CO 0.00 0.42 0.48 -1.35 -1.18 0.00 0.00 179.01 177.38 3ity h PRO 387 N 0.65 0.72 -0.22 0.92 0.11 -1.92 0.75 132.00 133.01 3ity h PRO 387 Ca 0.51 -0.04 -0.09 0.00 0.11 0.00 0.00 66.00 66.50 3ity h PRO 387 Cb 0.78 -0.16 -0.00 0.00 0.11 0.00 0.00 31.00 31.72 3ity h PRO 387 CO -0.39 0.48 -0.20 0.82 -0.21 0.00 0.00 178.00 178.50 3ity h ILE 388 N 0.74 1.32 -0.53 4.15 2.04 -1.20 -1.23 117.51 122.81 3ity h ILE 388 Ca 0.32 -1.35 -0.02 0.00 1.00 0.00 0.00 64.86 64.80 3ity h ILE 388 Cb 0.28 1.71 -0.02 0.00 -0.74 0.00 0.00 36.82 38.05 3ity h ILE 388 CO -0.11 0.41 0.24 -0.07 0.00 0.00 0.00 178.15 178.63 3ity h LEU 389 N 0.20 0.71 -0.47 1.44 3.38 -0.54 -0.84 115.31 119.19 3ity h LEU 389 Ca 0.04 -0.14 -0.08 0.00 0.09 0.00 0.00 57.88 57.78 3ity h LEU 389 Cb 0.74 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 41.29 3ity h LEU 389 CO 0.05 0.66 -0.03 0.00 0.09 0.00 0.00 178.44 179.20 3ity h ALA 390 N 1.08 0.63 -0.49 1.53 0.00 -0.87 -2.10 119.26 119.03 3ity h ALA 390 Ca 0.18 -0.30 -0.10 0.00 0.00 0.00 0.00 54.91 54.69 3ity h ALA 390 Cb 0.15 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.75 3ity h ALA 390 CO -0.02 0.46 -0.10 1.49 0.00 0.00 0.00 179.25 181.08 3ity h GLU 391 N 0.69 0.90 -0.80 0.00 4.57 -1.10 -0.72 114.58 118.12 3ity h GLU 391 Ca 0.13 -0.31 0.00 0.00 -1.18 0.00 0.00 59.36 58.00 3ity h GLU 391 Cb 0.55 -0.07 -0.04 0.00 -0.16 0.00 0.00 28.75 29.03 3ity h GLU 391 CO 0.03 0.96 0.52 0.00 -1.18 0.00 0.00 179.01 179.34 3ity h ALA 392 N 1.07 1.02 -0.12 2.92 0.00 -0.99 -0.16 119.26 122.99 3ity h ALA 392 Ca 0.13 -0.07 -0.03 0.00 0.00 0.00 0.00 54.91 54.95 3ity h ALA 392 Cb 0.62 -0.33 -0.00 0.00 0.00 0.00 0.00 17.79 18.09 3ity h ALA 392 CO 0.04 0.45 -0.02 0.00 0.00 0.00 0.00 179.25 179.72 3ity h ARG 393 N 1.10 0.23 -0.72 0.00 3.08 -1.07 -2.71 114.38 114.29 3ity h ARG 393 Ca 0.29 -0.09 0.07 0.00 0.07 0.00 0.00 59.98 60.33 3ity h ARG 393 Cb -0.09 -0.01 -0.06 0.00 0.08 0.00 0.00 29.97 29.88 3ity h ARG 393 CO -0.06 0.52 0.41 -0.09 -1.07 0.00 0.00 179.97 179.67 3ity h ARG 394 N -0.08 0.70 0.00 0.04 2.43 -0.81 0.72 114.38 117.39 3ity h ARG 394 Ca 0.03 -0.04 -0.02 0.00 -0.81 0.00 0.00 59.98 59.14 3ity h ARG 394 Cb 0.43 -0.16 -0.00 0.00 -0.42 0.00 0.00 29.97 29.82 3ity h ARG 394 CO 0.01 0.47 -0.10 0.00 -1.51 0.00 0.00 179.97 178.84 3ity h ARG 395 N 0.73 0.00 -0.46 0.20 3.08 -1.01 -3.19 114.38 113.73 3ity h ARG 395 Ca 0.33 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.38 3ity h ARG 395 Cb 0.24 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.29 3ity h ARG 395 CO -0.21 0.10 0.00 0.25 -1.07 0.00 0.00 179.97 179.04 3ity n THR 396 N -3.27 1.03 -0.12 2.04 -2.24 -0.66 -4.95 114.28 106.10 3ity n THR 396 Ca -0.00 -1.01 0.00 0.00 -2.27 0.00 0.00 64.05 60.76 3ity n THR 396 Cb 0.33 0.49 0.00 0.00 -2.10 0.00 0.00 70.33 69.04 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 0.82 0.87 0.25 3.38 0.00 -0.87 -5.00 105.19 104.63 3ity n GLY 397 Ca 0.15 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.16 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 -2.09 1.10 3.68 -0.02 0.00 0.24 -4.78 105.19 103.31 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 -2.57 3.28 0.21 4.61 0.00 -0.45 -4.15 121.76 122.68 3ity s ALA 399 Ca 0.04 -0.81 -0.09 0.00 0.00 0.00 0.00 51.96 51.10 3ity s ALA 399 Cb -0.00 -1.49 0.25 0.00 0.00 0.00 0.00 23.12 21.88 3ity s ALA 399 CO 0.03 0.57 1.79 0.28 0.00 0.00 0.00 175.76 178.42 3ity h VAL 400 N 4.20 0.90 -3.18 0.00 2.07 -1.87 -3.29 116.25 115.07 3ity h VAL 400 Ca -0.50 -0.20 -0.62 0.00 0.82 0.00 0.00 66.70 66.20 3ity h VAL 400 Cb 1.19 0.27 -0.40 0.00 -1.52 0.00 0.00 31.29 30.83 3ity h VAL 400 CO 0.55 0.11 -0.71 -0.62 0.02 0.00 0.00 177.57 176.91 3ity s ASP 401 N -5.52 3.99 0.15 0.57 -1.08 -1.26 -4.67 116.67 108.84 3ity s ASP 401 Ca -0.13 -2.53 -0.26 0.00 -0.52 0.00 0.00 52.55 49.12 3ity s ASP 401 Cb 0.16 -1.22 -0.00 0.00 -1.46 0.00 0.00 42.92 40.40 3ity s ASP 401 CO 0.75 -0.29 1.60 -0.65 0.52 0.00 0.00 175.17 177.10 3ity h PRO 402 N 6.96 -0.35 -0.74 4.34 0.11 -1.86 -1.17 132.00 139.30 3ity h PRO 402 Ca -0.05 0.02 -0.05 0.00 0.11 0.00 0.00 66.00 66.04 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 0.53 -0.23 0.28 0.28 -0.21 0.00 0.00 178.00 178.65 3ity h VAL 403 N -0.36 1.25 -0.85 3.15 2.07 -1.94 0.93 116.25 120.50 3ity h VAL 403 Ca 0.12 -0.82 -0.03 0.00 0.82 0.00 0.00 66.70 66.79 3ity h VAL 403 Cb 0.57 0.41 -0.04 0.00 -1.52 0.00 0.00 31.29 30.71 3ity h VAL 403 CO -0.45 0.33 0.41 0.00 0.02 0.00 0.00 177.57 177.88 3ity h ALA 404 N 1.14 1.10 -0.34 1.67 0.00 -1.94 -0.18 119.26 120.71 3ity h ALA 404 Ca 0.24 -0.16 -0.16 0.00 0.00 0.00 0.00 54.91 54.83 3ity h ALA 404 Cb 0.24 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 17.69 3ity h ALA 404 CO -0.02 0.66 -0.43 1.15 0.00 0.00 0.00 179.25 180.61 3ity h THR 405 N 1.21 1.28 -0.28 0.00 2.02 -0.87 -1.25 112.91 115.01 3ity h THR 405 Ca 0.29 -1.61 0.00 0.00 0.77 0.00 0.00 66.41 65.86 3ity h THR 405 Cb 0.11 1.47 -0.01 0.00 -1.74 0.00 0.00 68.15 67.98 3ity h THR 405 CO -0.04 0.53 0.18 0.22 0.37 0.00 0.00 175.52 176.78 3ity h TYR 406 N 0.69 0.35 -0.47 3.16 3.20 -0.36 -1.42 116.97 122.13 3ity h TYR 406 Ca 0.05 0.00 -0.08 0.00 3.14 0.00 0.00 58.73 61.84 3ity h TYR 406 Cb 1.02 -0.12 -0.02 0.00 1.54 0.00 0.00 36.73 39.15 3ity h TYR 406 CO 0.06 0.24 -0.03 0.00 -1.64 0.00 0.00 178.16 176.79 3ity h ARG 407 N 0.37 0.80 -0.09 1.82 3.08 -0.96 -2.68 114.38 116.71 3ity h ARG 407 Ca 0.10 -0.23 -0.07 0.00 0.07 0.00 0.00 59.98 59.85 3ity h ARG 407 Cb -0.02 -0.08 -0.01 0.00 0.08 0.00 0.00 29.97 29.93 3ity h ARG 407 CO -0.02 0.82 -0.26 0.00 -1.07 0.00 0.00 179.97 179.44 3ity h ALA 408 N 1.22 1.40 0.00 0.04 0.00 -0.87 -2.85 119.26 118.21 3ity h ALA 408 Ca 0.14 -0.28 -0.06 0.00 0.00 0.00 0.00 54.91 54.71 3ity h ALA 408 Cb 0.49 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.20 3ity h ALA 408 CO 0.03 0.42 -0.28 0.66 0.00 0.00 0.00 179.25 180.08 3ity h SER 409 N 0.14 0.00 -0.34 0.00 4.64 -0.92 -3.47 113.55 113.61 3ity h SER 409 Ca 0.02 0.00 -0.14 0.00 -0.47 0.00 0.00 61.79 61.20 3ity h SER 409 Cb 0.54 0.00 -0.06 0.00 -0.31 0.00 0.00 62.40 62.58 3ity h SER 409 CO 0.04 0.28 -0.13 0.61 -0.87 0.00 0.00 176.83 176.76 3ity n GLY 410 N 0.28 0.92 0.20 -0.77 0.00 -1.08 -4.93 105.19 99.81 3ity n GLY 410 Ca 0.00 -0.72 -0.02 0.00 0.00 0.00 0.00 46.02 45.29 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 -0.58 1.61 3.20 -1.86 -0.74 116.97 118.53 3ity h TYR 411 Ca -0.14 0.04 0.06 0.00 3.14 0.00 0.00 58.73 61.82 3ity h TYR 411 Cb 0.46 0.11 -0.05 0.00 1.54 0.00 0.00 36.73 38.79 3ity h TYR 411 CO 0.20 -0.14 0.29 -0.09 -1.64 0.00 0.00 178.16 176.79 3ity h ARG 412 N 0.10 0.53 -0.13 1.82 9.65 -1.92 -0.24 114.38 124.20 3ity h ARG 412 Ca 0.26 -0.03 -0.07 0.00 -1.10 0.00 0.00 59.98 59.04 3ity h ARG 412 Cb 0.40 -0.12 -0.01 0.00 -1.39 0.00 0.00 29.97 28.85 3ity h ARG 412 CO -0.45 0.35 -0.25 0.00 2.80 0.00 0.00 179.97 182.43 3ity h ALA 413 N 1.32 1.34 0.14 2.80 0.00 -1.78 -0.95 119.26 122.14 3ity h ALA 413 Ca 0.26 -0.29 -0.01 0.00 0.00 0.00 0.00 54.91 54.87 3ity h ALA 413 Cb 0.19 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.90 3ity h ALA 413 CO -0.19 0.45 -0.07 -0.09 0.00 0.00 0.00 179.25 179.35 3ity h ARG 414 N 0.21 -0.18 0.00 0.00 2.43 0.35 -2.33 114.38 114.86 3ity h ARG 414 Ca 0.03 0.01 -0.05 0.00 -0.81 0.00 0.00 59.98 59.17 3ity h ARG 414 Cb 0.56 0.04 -0.01 0.00 -0.42 0.00 0.00 29.97 30.14 3ity h ARG 414 CO 0.04 0.08 -0.24 -0.39 -1.51 0.00 0.00 179.97 177.95 3ity h VAL 415 N -0.43 0.60 -0.50 0.20 -1.51 -1.05 -2.31 116.25 111.26 3ity h VAL 415 Ca -0.02 -1.11 -0.05 0.00 -1.23 0.00 0.00 66.70 64.28 3ity h VAL 415 Cb 0.34 1.74 -0.02 0.00 -2.13 0.00 0.00 31.29 31.22 3ity h VAL 415 CO 0.03 0.23 0.09 0.00 -1.23 0.00 0.00 177.57 176.69 3ity h ALA 416 N 1.76 1.23 0.00 5.19 0.00 -1.00 0.67 119.26 127.11 3ity h ALA 416 Ca -0.00 -0.21 -0.06 0.00 0.00 0.00 0.00 54.91 54.64 3ity h ALA 416 Cb 0.72 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.30 3ity h ALA 416 CO 0.03 0.53 -0.30 0.00 0.00 0.00 0.00 179.25 179.51 3ity h ALA 417 N 1.36 0.88 0.00 0.00 0.00 -0.87 -3.26 119.26 117.37 3ity h ALA 417 Ca 0.16 -0.27 -0.17 0.00 0.00 0.00 0.00 54.91 54.63 3ity h ALA 417 Cb 0.32 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 18.03 3ity h ALA 417 CO 0.00 0.37 -1.47 0.39 0.00 0.00 0.00 179.25 178.55 3ity n GLU 418 N -3.27 0.62 -4.35 0.00 1.02 -0.87 -4.86 120.64 108.93 3ity n GLU 418 Ca 0.01 0.21 -0.34 0.00 -0.02 0.00 0.00 57.16 57.02 3ity n GLU 418 Cb 0.57 -1.79 -0.14 0.00 -0.02 0.00 0.00 31.44 30.06 3ity n GLU 418 CO 0.00 0.00 0.00 1.03 1.18 0.00 0.00 177.13 179.34 3ity s ARG 419 N -2.91 3.44 0.09 3.49 0.52 0.17 -5.10 118.95 118.66 3ity s ARG 419 Ca -0.03 -0.63 -0.30 0.00 -0.52 0.00 0.00 55.73 54.25 3ity s ARG 419 Cb 0.09 -2.84 -0.06 0.00 0.52 0.00 0.00 34.95 32.66 3ity s ARG 419 CO 0.81 0.05 1.04 -2.14 0.02 0.00 0.00 175.30 175.09 3ity s PRO 420 N 0.80 4.60 0.66 3.54 0.02 -1.26 -4.58 135.00 138.77 3ity s PRO 420 Ca -0.03 1.56 -0.08 0.00 0.02 0.00 0.00 61.00 62.47 3ity s PRO 420 Cb -0.15 -3.37 0.02 0.00 0.02 0.00 0.00 34.50 31.03 3ity s PRO 420 CO 0.01 0.04 1.00 0.00 -0.33 0.00 0.00 177.00 177.73 3ity s ALA 421 N 0.34 3.09 0.41 -1.55 0.00 -1.26 -4.94 121.76 117.85 3ity s ALA 421 Ca 0.51 -0.57 0.07 0.00 0.00 0.00 0.00 51.96 51.97 3ity s ALA 421 Cb -0.25 -2.79 0.85 0.00 0.00 0.00 0.00 23.12 20.93 3ity s ALA 421 CO 0.31 -1.03 2.04 0.77 0.00 0.00 0.00 175.76 177.84 3ity h SER 422 N -0.45 0.43 -4.30 0.00 0.02 -1.96 -3.42 113.55 103.86 3ity h SER 422 Ca -0.45 -0.02 -0.19 0.00 -0.84 0.00 0.00 61.79 60.29 3ity h SER 422 Cb 1.26 -0.11 -0.24 0.00 0.14 0.00 0.00 62.40 63.45 3ity h SER 422 CO 0.62 0.35 -0.62 -0.69 -1.14 0.00 0.00 176.83 175.35 3ity s VAL 423 N -5.37 0.04 -0.16 2.27 1.01 -1.26 -5.33 120.40 111.60 3ity s VAL 423 Ca -0.08 -0.36 0.00 0.00 0.00 0.00 0.00 61.98 61.54 3ity s VAL 423 Cb 0.17 -0.21 0.00 0.00 0.00 0.00 0.00 36.38 36.34 3ity s VAL 423 CO 0.73 -0.20 0.04 0.00 0.00 0.00 0.00 175.10 175.67