#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ity s PHE 4 N 0.00 2.69 0.35 -1.84 0.40 -1.26 -4.81 117.98 113.51 3ity s PHE 4 Ca 0.00 -1.67 0.04 0.00 -0.60 0.00 0.00 56.93 54.70 3ity s PHE 4 Cb 0.00 -1.82 0.65 0.00 0.51 0.00 0.00 43.02 42.36 3ity s PHE 4 CO 0.00 -0.79 1.93 0.00 0.70 0.00 0.00 175.22 177.07 3ity h ARG 5 N 7.94 0.59 -5.19 0.44 2.47 -1.92 -3.39 114.38 115.31 3ity h ARG 5 Ca -0.38 -0.09 -0.64 0.00 -1.26 0.00 0.00 59.98 57.62 3ity h ARG 5 Cb 1.12 -0.11 -0.21 0.00 -1.65 0.00 0.00 29.97 29.12 3ity h ARG 5 CO 0.57 0.52 -0.64 0.42 0.56 0.00 0.00 179.97 181.39 3ity s ILE 6 N -5.22 4.09 0.16 2.04 -1.09 -1.26 -5.03 121.20 114.89 3ity s ILE 6 Ca -0.08 -0.27 -0.34 0.00 -2.23 0.00 0.00 60.65 57.72 3ity s ILE 6 Cb 0.16 -2.84 -0.14 0.00 -1.58 0.00 0.00 42.46 38.06 3ity s ILE 6 CO 0.76 0.45 1.48 0.00 -1.23 0.00 0.00 174.94 176.40 3ity n ALA 7 N 3.94 0.73 0.24 9.38 0.00 -1.26 -4.86 120.51 128.68 3ity n ALA 7 Ca -0.17 0.46 0.09 0.00 0.00 0.00 0.00 53.44 53.82 3ity n ALA 7 Cb 0.52 -2.27 0.66 0.00 0.00 0.00 0.00 19.45 18.36 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 5.25 0.00 0.00 0.00 4.20 -1.97 -1.63 115.11 120.96 3ity h GLN 8 Ca -0.45 0.00 -0.12 0.00 0.06 0.00 0.00 58.65 58.14 3ity h GLN 8 Cb 1.28 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 29.04 3ity h GLN 8 CO 0.84 0.00 -0.55 0.38 -0.67 0.00 0.00 178.83 178.83 3ity h ASP 9 N 0.00 0.00 -0.20 1.46 -0.00 -1.99 -1.41 116.42 114.29 3ity h ASP 9 Ca 0.02 0.00 -0.19 0.00 -0.00 0.00 0.00 57.03 56.86 3ity h ASP 9 Cb 0.07 0.00 0.01 0.00 -0.00 0.00 0.00 39.33 39.40 3ity h ASP 9 CO -0.00 0.55 -0.62 0.58 -0.00 0.00 0.00 179.24 179.75 3ity h VAL 10 N 0.00 1.29 -0.21 4.15 2.07 -1.67 -0.69 116.25 121.19 3ity h VAL 10 Ca -0.01 -1.83 -0.01 0.00 0.82 0.00 0.00 66.70 65.68 3ity h VAL 10 Cb 1.06 1.88 -0.01 0.00 -1.52 0.00 0.00 31.29 32.71 3ity h VAL 10 CO 0.07 0.58 0.10 0.58 0.02 0.00 0.00 177.57 178.92 3ity h VAL 11 N 0.49 1.15 -0.26 2.57 2.07 -1.33 -0.76 116.25 120.18 3ity h VAL 11 Ca -0.02 -0.43 0.00 0.00 0.82 0.00 0.00 66.70 67.07 3ity h VAL 11 Cb 1.24 1.04 -0.01 0.00 -1.52 0.00 0.00 31.29 32.03 3ity h VAL 11 CO 0.13 0.14 0.17 0.00 0.02 0.00 0.00 177.57 178.03 3ity h ALA 12 N 0.95 0.34 0.00 1.67 0.00 -1.24 -1.55 119.26 119.43 3ity h ALA 12 Ca 0.07 -0.03 0.02 0.00 0.00 0.00 0.00 54.91 54.97 3ity h ALA 12 Cb 0.14 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.80 3ity h ALA 12 CO -0.01 -0.18 -0.09 -0.09 0.00 0.00 0.00 179.25 178.89 3ity h ARG 13 N 0.34 -0.15 0.00 0.00 2.43 -0.94 -0.16 114.38 115.90 3ity h ARG 13 Ca 0.10 0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.28 3ity h ARG 13 Cb -0.01 0.03 0.00 0.00 -0.42 0.00 0.00 29.97 29.57 3ity h ARG 13 CO -0.02 -0.10 0.00 0.93 -1.51 0.00 0.00 179.97 179.27 3ity h GLU 14 N -0.16 0.00 0.03 0.20 4.39 -1.06 -1.81 114.58 116.18 3ity h GLU 14 Ca 0.03 0.00 -0.08 0.00 0.34 0.00 0.00 59.36 59.65 3ity h GLU 14 Cb 0.20 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 28.85 3ity h GLU 14 CO -0.09 0.00 -0.42 -0.91 -1.16 0.00 0.00 179.01 176.43 3ity h ASN 15 N 0.00 0.11 -0.74 1.42 -0.26 -0.75 -3.29 115.58 112.06 3ity h ASN 15 Ca 0.00 -0.91 0.03 0.00 -0.56 0.00 0.00 56.30 54.86 3ity h ASN 15 Cb 0.45 -0.04 -0.04 0.00 -1.06 0.00 0.00 38.32 37.64 3ity h ASN 15 CO 0.00 1.18 0.49 0.44 -1.06 0.00 0.00 177.43 178.48 3ity h ASP 16 N -0.84 0.79 0.04 5.81 3.32 -0.89 0.17 116.42 124.82 3ity h ASP 16 Ca -0.10 -0.01 -0.01 0.00 0.02 0.00 0.00 57.03 56.94 3ity h ASP 16 Cb 1.21 -0.18 -0.00 0.00 0.22 0.00 0.00 39.33 40.57 3ity h ASP 16 CO 0.00 0.55 -0.03 -0.09 -1.72 0.00 0.00 179.24 177.95 3ity h ARG 17 N 0.91 0.00 -0.04 3.56 2.43 -1.44 -2.83 114.38 116.98 3ity h ARG 17 Ca 0.29 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.46 3ity h ARG 17 Cb 0.03 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.58 3ity h ARG 17 CO -0.08 0.03 0.00 0.54 -1.51 0.00 0.00 179.97 178.95 3ity n ARG 18 N -4.15 0.31 -0.38 0.20 1.74 -0.51 -4.73 116.66 109.14 3ity n ARG 18 Ca -0.03 -1.00 -0.01 0.00 -0.77 0.00 0.00 57.85 56.04 3ity n ARG 18 Cb 0.11 -1.12 0.12 0.00 -1.02 0.00 0.00 32.46 30.56 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 1.15 1.30 0.07 7.54 0.00 -0.44 -2.24 119.26 126.64 3ity h ALA 19 Ca 0.00 -0.06 -0.00 0.00 0.00 0.00 0.00 54.91 54.84 3ity h ALA 19 Cb 0.31 -0.40 0.00 0.00 0.00 0.00 0.00 17.79 17.70 3ity h ALA 19 CO 0.00 0.64 -0.04 1.03 0.00 0.00 0.00 179.25 180.88 3ity h SER 20 N 1.34 -0.08 -0.61 0.00 0.87 -1.85 -1.37 113.55 111.84 3ity h SER 20 Ca 0.38 -0.10 -0.04 0.00 -1.23 0.00 0.00 61.79 60.80 3ity h SER 20 Cb -0.12 0.02 -0.03 0.00 -0.44 0.00 0.00 62.40 61.83 3ity h SER 20 CO -0.09 0.05 0.23 0.00 -0.53 0.00 0.00 176.83 176.49 3ity h ALA 21 N 0.71 1.20 -0.61 6.23 0.00 -1.88 -2.36 119.26 122.54 3ity h ALA 21 Ca -0.01 -0.18 -0.06 0.00 0.00 0.00 0.00 54.91 54.66 3ity h ALA 21 Cb 0.18 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.68 3ity h ALA 21 CO 0.02 0.57 0.14 1.25 0.00 0.00 0.00 179.25 181.23 3ity h LEU 22 N 0.93 0.94 -0.86 0.00 5.85 -1.25 -0.63 115.31 120.30 3ity h LEU 22 Ca 0.21 -0.24 0.00 0.00 0.84 0.00 0.00 57.88 58.70 3ity h LEU 22 Cb 0.22 -0.25 -0.04 0.00 0.37 0.00 0.00 40.66 40.96 3ity h LEU 22 CO -0.01 0.94 0.54 0.50 -0.34 0.00 0.00 178.44 180.06 3ity h LYS 23 N 0.90 1.16 -0.02 1.25 3.64 -0.92 0.22 116.57 122.81 3ity h LYS 23 Ca 0.19 -0.09 -0.00 0.00 -1.27 0.00 0.00 60.65 59.48 3ity h LYS 23 Cb 0.37 -0.25 -0.00 0.00 -0.41 0.00 0.00 32.23 31.94 3ity h LYS 23 CO 0.00 0.80 0.01 0.93 -2.27 0.00 0.00 179.45 178.91 3ity h GLU 24 N 1.18 0.03 -0.57 1.90 4.39 -1.02 -1.19 114.58 119.28 3ity h GLU 24 Ca 0.31 -0.01 -0.07 0.00 0.34 0.00 0.00 59.36 59.94 3ity h GLU 24 Cb -0.08 -0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 28.54 3ity h GLU 24 CO -0.06 0.22 0.09 -0.44 -1.16 0.00 0.00 179.01 177.66 3ity h ASP 25 N -0.17 0.91 -0.36 1.42 3.32 -0.84 -1.75 116.42 118.95 3ity h ASP 25 Ca 0.01 -0.26 -0.04 0.00 0.02 0.00 0.00 57.03 56.75 3ity h ASP 25 Cb 0.20 -0.24 -0.01 0.00 0.22 0.00 0.00 39.33 39.49 3ity h ASP 25 CO -0.00 0.94 0.07 0.22 -1.72 0.00 0.00 179.24 178.75 3ity h TYR 26 N 0.84 0.63 -0.72 4.55 3.20 -0.54 -0.95 116.97 123.98 3ity h TYR 26 Ca 0.17 -0.08 -0.06 0.00 3.14 0.00 0.00 58.73 61.90 3ity h TYR 26 Cb 0.42 -0.17 -0.03 0.00 1.54 0.00 0.00 36.73 38.48 3ity h TYR 26 CO 0.03 0.64 0.20 0.93 -1.64 0.00 0.00 178.16 178.32 3ity h GLU 27 N 0.44 1.14 -0.21 1.82 5.08 -1.16 0.13 114.58 121.81 3ity h GLU 27 Ca 0.11 -0.26 -0.02 0.00 -1.00 0.00 0.00 59.36 58.20 3ity h GLU 27 Cb 0.34 -0.16 -0.01 0.00 0.50 0.00 0.00 28.75 29.43 3ity h GLU 27 CO 0.01 0.98 0.07 0.00 -1.00 0.00 0.00 179.01 179.07 3ity h ALA 28 N 1.10 0.28 -0.35 3.43 0.00 -1.17 -1.37 119.26 121.17 3ity h ALA 28 Ca 0.23 -0.13 -0.05 0.00 0.00 0.00 0.00 54.91 54.96 3ity h ALA 28 Cb 0.34 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.03 3ity h ALA 28 CO -0.00 -0.11 0.01 1.25 0.00 0.00 0.00 179.25 180.40 3ity h LEU 29 N 0.17 0.51 -0.55 0.00 5.85 -0.99 -1.28 115.31 119.03 3ity h LEU 29 Ca 0.07 -0.09 -0.02 0.00 0.84 0.00 0.00 57.88 58.67 3ity h LEU 29 Cb 0.22 -0.13 -0.03 0.00 0.37 0.00 0.00 40.66 41.09 3ity h LEU 29 CO -0.00 0.58 0.25 1.23 -0.34 0.00 0.00 178.44 180.15 3ity h GLY 30 N 0.84 0.87 0.98 3.75 0.00 -0.35 -0.09 103.07 109.06 3ity h GLY 30 Ca 0.11 -0.45 -0.06 0.00 0.00 0.00 0.00 47.33 46.94 3ity h GLY 30 CO 0.01 0.42 0.06 0.00 0.00 0.00 0.00 176.54 177.04 3ity h ALA 31 N 1.09 0.63 -0.37 3.60 0.00 -0.79 -0.30 119.26 123.11 3ity h ALA 31 Ca 0.19 -0.24 -0.01 0.00 0.00 0.00 0.00 54.91 54.85 3ity h ALA 31 Cb 0.15 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.75 3ity h ALA 31 CO -0.02 0.37 0.20 -0.97 0.00 0.00 0.00 179.25 178.83 3ity h ASN 32 N 0.66 0.46 -0.38 0.00 -0.73 -1.01 -1.43 115.58 113.15 3ity h ASN 32 Ca 0.14 -0.09 -0.10 0.00 1.87 0.00 0.00 56.30 58.13 3ity h ASN 32 Cb 0.41 -0.12 -0.02 0.00 0.27 0.00 0.00 38.32 38.86 3ity h ASN 32 CO 0.01 0.42 -0.11 -0.07 -0.37 0.00 0.00 177.43 177.32 3ity h LEU 33 N 0.47 0.82 -0.95 0.34 3.38 -0.88 -2.52 115.31 115.97 3ity h LEU 33 Ca 0.13 -0.25 -0.00 0.00 0.09 0.00 0.00 57.88 57.85 3ity h LEU 33 Cb 0.06 -0.22 -0.05 0.00 0.09 0.00 0.00 40.66 40.54 3ity h LEU 33 CO -0.02 0.95 0.58 0.00 0.09 0.00 0.00 178.44 180.03 3ity h ALA 34 N 1.13 1.21 0.00 1.53 0.00 -0.77 0.27 119.26 122.63 3ity h ALA 34 Ca 0.13 -0.10 -0.01 0.00 0.00 0.00 0.00 54.91 54.92 3ity h ALA 34 Cb 0.60 -0.38 -0.00 0.00 0.00 0.00 0.00 17.79 18.01 3ity h ALA 34 CO 0.04 0.67 -0.07 0.00 0.00 0.00 0.00 179.25 179.89 3ity h ARG 35 N 1.31 0.00 -0.51 0.00 3.08 -0.86 -0.85 114.38 116.55 3ity h ARG 35 Ca 0.34 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.39 3ity h ARG 35 Cb -0.06 0.00 0.00 0.00 0.08 0.00 0.00 29.97 29.99 3ity h ARG 35 CO -0.06 0.07 0.00 0.54 -1.07 0.00 0.00 179.97 179.44 3ity n ARG 36 N -3.46 2.36 -1.58 0.04 1.74 0.39 -4.93 116.66 111.22 3ity n ARG 36 Ca -0.02 -2.09 -0.05 0.00 -0.77 0.00 0.00 57.85 54.91 3ity n ARG 36 Cb 0.20 -1.47 -0.01 0.00 -1.02 0.00 0.00 32.46 30.15 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 1.44 0.51 3.27 -0.13 0.00 -0.33 -5.03 105.19 104.92 3ity n GLY 37 Ca 0.20 -0.75 -0.32 0.00 0.00 0.00 0.00 46.02 45.15 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 -2.23 2.17 -0.43 1.61 1.01 0.67 -4.98 120.40 118.21 3ity s VAL 38 Ca 0.00 -1.01 -0.21 0.00 0.00 0.00 0.00 61.98 60.76 3ity s VAL 38 Cb 0.00 -1.81 0.02 0.00 0.00 0.00 0.00 36.38 34.59 3ity s VAL 38 CO 0.00 0.56 0.64 -0.62 0.00 0.00 0.00 175.10 175.68 3ity s ASP 39 N 0.01 6.33 0.47 3.32 2.15 -1.26 -2.69 116.67 125.00 3ity s ASP 39 Ca -0.08 -0.32 0.16 0.00 0.43 0.00 0.00 52.55 52.73 3ity s ASP 39 Cb -0.15 -2.32 1.14 0.00 -0.30 0.00 0.00 42.92 41.29 3ity s ASP 39 CO 0.05 -0.77 2.04 -0.29 -0.17 0.00 0.00 175.17 176.04 3ity h ILE 40 N 5.87 0.93 -0.58 4.11 2.10 -1.93 -1.59 117.51 126.42 3ity h ILE 40 Ca -0.25 -0.08 -0.04 0.00 1.08 0.00 0.00 64.86 65.57 3ity h ILE 40 Cb 1.10 0.67 -0.03 0.00 -1.09 0.00 0.00 36.82 37.47 3ity h ILE 40 CO 0.89 0.04 0.21 -0.33 -1.08 0.00 0.00 178.15 177.88 3ity h GLU 41 N 0.24 0.85 -0.30 2.19 4.39 -1.98 -0.53 114.58 119.44 3ity h GLU 41 Ca 0.17 -0.14 -0.09 0.00 0.34 0.00 0.00 59.36 59.64 3ity h GLU 41 Cb 0.39 -0.15 -0.01 0.00 -0.10 0.00 0.00 28.75 28.88 3ity h GLU 41 CO -0.03 0.71 -0.21 0.00 -1.16 0.00 0.00 179.01 178.33 3ity h ALA 42 N 1.40 1.09 0.01 3.43 0.00 -1.71 -1.62 119.26 121.85 3ity h ALA 42 Ca 0.20 -0.33 -0.00 0.00 0.00 0.00 0.00 54.91 54.77 3ity h ALA 42 Cb 0.20 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 17.85 3ity h ALA 42 CO -0.01 0.56 -0.00 0.28 0.00 0.00 0.00 179.25 180.07 3ity h VAL 43 N 0.50 1.41 -0.89 0.00 2.07 -1.28 -2.93 116.25 115.13 3ity h VAL 43 Ca 0.08 -1.28 0.08 0.00 0.82 0.00 0.00 66.70 66.40 3ity h VAL 43 Cb 0.64 2.27 -0.07 0.00 -1.52 0.00 0.00 31.29 32.61 3ity h VAL 43 CO 0.05 0.33 0.55 0.74 0.02 0.00 0.00 177.57 179.25 3ity h THR 44 N -0.56 0.99 -0.96 2.57 2.02 -1.06 -0.04 112.91 115.86 3ity h THR 44 Ca -0.00 -0.33 0.02 0.00 0.77 0.00 0.00 66.41 66.87 3ity h THR 44 Cb 0.55 -0.04 -0.05 0.00 -1.74 0.00 0.00 68.15 66.86 3ity h THR 44 CO 0.00 0.17 0.64 0.00 0.37 0.00 0.00 175.52 176.70 3ity h ALA 45 N 1.45 1.33 -0.03 6.16 0.00 -1.31 -0.69 119.26 126.18 3ity h ALA 45 Ca 0.41 -0.06 -0.26 0.00 0.00 0.00 0.00 54.91 55.00 3ity h ALA 45 Cb 0.28 -0.38 0.02 0.00 0.00 0.00 0.00 17.79 17.72 3ity h ALA 45 CO -0.21 0.61 -0.99 0.87 0.00 0.00 0.00 179.25 179.52 3ity h LYS 46 N 1.28 0.69 -0.80 0.00 1.57 -1.14 -3.27 116.57 114.90 3ity h LYS 46 Ca 0.36 -0.71 -0.01 0.00 -1.87 0.00 0.00 60.65 58.42 3ity h LYS 46 Cb -0.11 0.19 -0.04 0.00 0.08 0.00 0.00 32.23 32.36 3ity h LYS 46 CO -0.09 1.30 0.44 0.28 -0.57 0.00 0.00 179.45 180.81 3ity h VAL 47 N 0.41 1.24 0.00 0.50 2.07 -0.60 -1.38 116.25 118.48 3ity h VAL 47 Ca -0.11 -0.57 0.00 0.00 0.82 0.00 0.00 66.70 66.83 3ity h VAL 47 Cb 1.64 0.16 0.00 0.00 -1.52 0.00 0.00 31.29 31.57 3ity h VAL 47 CO 0.19 0.26 0.00 -1.84 0.02 0.00 0.00 177.57 176.20 3ity n GLU 48 N -4.43 0.12 0.00 1.57 0.28 -0.30 -1.60 120.64 116.29 3ity n GLU 48 Ca 0.08 0.20 0.09 0.00 -0.16 0.00 0.00 57.16 57.36 3ity n GLU 48 Cb 0.09 -1.50 0.07 0.00 1.43 0.00 0.00 31.44 31.52 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 -1.37 1.43 -2.96 3.44 5.02 -0.54 -4.94 118.16 118.24 3ity n LYS 49 Ca 0.05 -1.46 -0.41 0.00 -2.02 0.00 0.00 58.31 54.47 3ity n LYS 49 Cb 0.12 -1.33 -0.05 0.00 -0.02 0.00 0.00 35.03 33.76 3ity n LYS 49 CO 0.00 0.00 0.00 0.12 -0.52 0.00 0.00 177.40 177.00 3ity s PHE 50 N -1.49 3.33 0.09 2.13 5.36 -0.62 -5.04 117.98 121.74 3ity s PHE 50 Ca 0.20 1.07 0.09 0.00 -0.96 0.00 0.00 56.93 57.32 3ity s PHE 50 Cb 0.14 -2.97 -0.03 0.00 -0.34 0.00 0.00 43.02 39.82 3ity s PHE 50 CO 0.24 -0.33 -0.22 -0.06 -1.46 0.00 0.00 175.22 173.39 3ity s PHE 51 N 2.53 1.92 -0.02 10.12 0.08 -1.26 -4.73 117.98 126.62 3ity s PHE 51 Ca 0.33 -0.40 0.01 0.00 0.12 0.00 0.00 56.93 56.99 3ity s PHE 51 Cb -0.16 -1.08 0.01 0.00 -0.57 0.00 0.00 43.02 41.23 3ity s PHE 51 CO 0.09 0.20 -0.02 0.54 -0.10 0.00 0.00 175.22 175.92 3ity s VAL 52 N -1.03 0.28 0.41 -0.44 0.11 -0.42 -4.83 120.40 114.48 3ity s VAL 52 Ca 0.08 -0.05 -0.24 0.00 -2.93 0.00 0.00 61.98 58.84 3ity s VAL 52 Cb -0.10 -0.31 -0.08 0.00 -1.53 0.00 0.00 36.38 34.36 3ity s VAL 52 CO 0.04 0.13 1.10 0.00 -3.33 0.00 0.00 175.10 173.04 3ity s ALA 53 N 0.53 3.08 -0.09 1.54 0.00 -0.72 -4.21 121.76 121.90 3ity s ALA 53 Ca -0.06 0.82 -0.04 0.00 0.00 0.00 0.00 51.96 52.68 3ity s ALA 53 Cb -0.09 -3.32 -0.04 0.00 0.00 0.00 0.00 23.12 19.67 3ity s ALA 53 CO -0.01 -0.38 0.07 0.14 0.00 0.00 0.00 175.76 175.59 3ity s VAL 54 N -1.56 4.88 -0.04 0.00 -7.23 -0.51 -0.94 120.40 115.00 3ity s VAL 54 Ca 0.58 -0.07 -0.28 0.00 -1.81 0.00 0.00 61.98 60.40 3ity s VAL 54 Cb -0.26 -3.11 -0.03 0.00 0.56 0.00 0.00 36.38 33.54 3ity s VAL 54 CO 0.32 0.58 0.92 -2.16 -0.31 0.00 0.00 175.10 174.44 3ity s PRO 55 N -1.06 4.50 0.38 4.82 0.04 -1.24 -0.70 135.00 141.73 3ity s PRO 55 Ca 0.15 1.28 0.07 0.00 0.04 0.00 0.00 61.00 62.54 3ity s PRO 55 Cb -0.12 -3.48 0.79 0.00 0.04 0.00 0.00 34.50 31.74 3ity s PRO 55 CO 0.05 -0.09 1.97 0.66 0.04 0.00 0.00 177.00 179.63 3ity h SER 56 N 6.87 0.61 0.15 6.66 4.64 -1.72 -0.74 113.55 130.01 3ity h SER 56 Ca -0.39 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.94 3ity h SER 56 Cb 1.20 -0.13 0.00 0.00 -0.31 0.00 0.00 62.40 63.16 3ity h SER 56 CO 0.77 0.39 0.00 -2.67 -0.87 0.00 0.00 176.83 174.46 3ity n TRP 57 N -4.48 0.00 1.04 4.77 2.14 -1.26 -3.19 117.44 116.47 3ity n TRP 57 Ca 0.10 0.00 0.12 0.00 2.07 0.00 0.00 57.50 59.78 3ity n TRP 57 Cb 0.23 -0.09 0.17 0.00 -0.81 0.00 0.00 31.31 30.82 3ity n TRP 57 CO 0.00 0.00 0.00 0.41 2.07 0.00 0.00 177.69 180.17 3ity n GLY 58 N 0.78 -0.99 0.08 -1.67 0.00 -0.28 -4.07 105.19 99.04 3ity n GLY 58 Ca 0.18 -0.44 0.13 0.00 0.00 0.00 0.00 46.02 45.90 3ity n GLY 58 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 3ity n VAL 59 N -1.25 0.46 -4.04 1.61 0.31 -1.19 -4.73 118.33 109.50 3ity n VAL 59 Ca 0.07 -0.23 -0.23 0.00 -0.01 0.00 0.00 64.34 63.93 3ity n VAL 59 Cb 0.35 -0.52 -0.04 0.00 -0.91 0.00 0.00 33.84 32.72 3ity n VAL 59 CO 0.00 0.00 0.00 -0.83 -1.32 0.00 0.00 176.83 174.68 3ity s GLY 60 N -3.47 1.47 0.16 2.92 0.00 -1.26 -4.59 107.32 102.55 3ity s GLY 60 Ca 0.11 -1.26 -0.31 0.00 0.00 0.00 0.00 44.72 43.26 3ity s GLY 60 CO 0.60 -1.28 1.41 -1.59 0.00 0.00 0.00 173.10 172.24 3ity s THR 61 N -1.94 3.06 0.60 0.90 2.01 -1.26 -4.64 115.64 114.36 3ity s THR 61 Ca 0.33 0.80 0.02 0.00 0.31 0.00 0.00 61.69 63.15 3ity s THR 61 Cb -0.09 -3.51 0.07 0.00 0.01 0.00 0.00 72.50 68.98 3ity s THR 61 CO 0.26 0.09 0.84 -0.83 -0.69 0.00 0.00 174.62 174.29 3ity s GLY 62 N 0.82 1.80 0.19 4.40 0.00 -0.18 -4.93 107.32 109.43 3ity s GLY 62 Ca 0.63 -1.61 -0.03 0.00 0.00 0.00 0.00 44.72 43.72 3ity s GLY 62 CO 0.34 -1.21 0.30 0.61 0.00 0.00 0.00 173.10 173.14 3ity n GLY 63 N -2.47 2.29 3.50 0.20 0.00 -1.26 -4.15 105.19 103.30 3ity n GLY 63 Ca 0.11 -1.40 -0.30 0.00 0.00 0.00 0.00 46.02 44.43 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 -0.30 0.00 0.32 2.61 -2.24 -0.33 -4.99 114.28 109.35 3ity n THR 64 Ca -0.01 -2.26 0.16 0.00 -2.27 0.00 0.00 64.05 59.67 3ity n THR 64 Cb 0.31 0.38 0.68 0.00 -2.10 0.00 0.00 70.33 69.60 3ity n THR 64 CO 0.00 0.00 0.00 0.08 -0.57 0.00 0.00 175.07 174.58 3ity h ARG 65 N 0.00 0.00 0.00 -0.78 0.11 -2.05 -2.79 114.38 108.87 3ity h ARG 65 Ca -0.39 0.00 -0.25 0.00 0.10 0.00 0.00 59.98 59.44 3ity h ARG 65 Cb 1.22 0.00 -0.04 0.00 1.11 0.00 0.00 29.97 32.26 3ity h ARG 65 CO 0.65 0.00 -1.35 0.74 0.10 0.00 0.00 179.97 180.11 3ity h PHE 66 N 0.00 0.01 0.00 4.08 0.04 -2.06 -3.49 116.94 115.52 3ity h PHE 66 Ca 0.00 -0.01 0.00 0.00 2.80 0.00 0.00 57.97 60.76 3ity h PHE 66 Cb 0.35 -0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.50 3ity h PHE 66 CO 0.00 1.01 0.00 0.00 -0.60 0.00 0.00 178.31 178.72 3ity n ALA 67 N -2.45 0.00 -3.47 2.45 0.00 -1.05 -5.14 120.51 110.85 3ity n ALA 67 Ca -0.08 0.00 -0.22 0.00 0.00 0.00 0.00 53.44 53.14 3ity n ALA 67 Cb 1.00 0.00 -0.16 0.00 0.00 0.00 0.00 19.45 20.28 3ity n ALA 67 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.50 178.00 3ity s ARG 68 N -2.00 1.20 -0.75 0.00 3.52 -1.26 -1.19 118.95 118.48 3ity s ARG 68 Ca 0.00 -0.26 0.03 0.00 -0.13 0.00 0.00 55.73 55.37 3ity s ARG 68 Cb 0.00 -1.07 0.18 0.00 -1.56 0.00 0.00 34.95 32.50 3ity s ARG 68 CO 0.00 -0.00 0.56 -0.06 -0.81 0.00 0.00 175.30 174.99 3ity s PHE 69 N 0.69 3.65 0.67 5.12 0.08 -1.26 -5.07 117.98 121.85 3ity s PHE 69 Ca -0.12 -3.24 -0.17 0.00 0.12 0.00 0.00 56.93 53.52 3ity s PHE 69 Cb -0.14 -2.87 -0.01 0.00 -0.57 0.00 0.00 43.02 39.43 3ity s PHE 69 CO 0.02 -0.61 1.17 -0.35 -0.10 0.00 0.00 175.22 175.35 3ity n PRO 70 N 2.14 0.89 -0.30 0.24 -0.04 -1.26 -4.96 135.00 131.71 3ity n PRO 70 Ca 0.19 0.36 0.00 0.00 -0.04 0.00 0.00 63.50 64.01 3ity n PRO 70 Cb 0.35 -2.41 0.00 0.00 -0.04 0.00 0.00 33.50 31.41 3ity n PRO 70 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3ity n GLY 71 N 0.99 1.76 3.90 0.55 0.00 -1.26 -5.10 105.19 106.04 3ity n GLY 71 Ca 0.15 -2.05 -0.28 0.00 0.00 0.00 0.00 46.02 43.84 3ity n GLY 71 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3ity s THR 72 N 1.57 4.94 -1.42 2.61 -4.23 -1.26 -4.31 115.64 113.54 3ity s THR 72 Ca 0.00 0.18 -0.10 0.00 -1.18 0.00 0.00 61.69 60.58 3ity s THR 72 Cb 0.00 -3.79 0.03 0.00 1.34 0.00 0.00 72.50 70.08 3ity s THR 72 CO 0.00 -0.57 1.11 0.61 -0.54 0.00 0.00 174.62 175.23 3ity n GLY 73 N -1.57 -0.53 3.75 3.99 0.00 -1.26 -4.78 105.19 104.79 3ity n GLY 73 Ca -0.00 0.24 -0.41 0.00 0.00 0.00 0.00 46.02 45.84 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 -6.40 4.34 0.28 1.61 0.41 -1.26 -4.72 118.70 112.95 3ity s GLU 74 Ca 0.61 2.20 -0.30 0.00 -0.41 0.00 0.00 54.97 57.07 3ity s GLU 74 Cb -0.28 -3.11 -0.10 0.00 -1.78 0.00 0.00 34.13 28.85 3ity s GLU 74 CO 0.75 -0.27 1.47 -1.25 -0.49 0.00 0.00 175.26 175.48 3ity s PRO 75 N -0.96 4.23 0.04 0.39 0.04 -1.26 -4.87 135.00 132.61 3ity s PRO 75 Ca 0.54 2.38 0.01 0.00 0.04 0.00 0.00 61.00 63.97 3ity s PRO 75 Cb -0.39 -3.07 -0.26 0.00 0.04 0.00 0.00 34.50 30.81 3ity s PRO 75 CO 0.46 -0.46 0.98 0.00 0.04 0.00 0.00 177.00 178.02 3ity h ARG 76 N 4.72 0.17 0.00 4.56 3.08 -1.93 -3.48 114.38 121.50 3ity h ARG 76 Ca -0.47 -0.29 0.00 0.00 0.07 0.00 0.00 59.98 59.29 3ity h ARG 76 Cb 1.22 0.11 0.00 0.00 0.08 0.00 0.00 29.97 31.38 3ity h ARG 76 CO 0.76 1.04 0.00 0.41 -1.07 0.00 0.00 179.97 181.11 3ity n GLY 77 N 1.56 3.00 0.28 0.04 0.00 -1.26 -5.03 105.19 103.77 3ity n GLY 77 Ca -0.11 -1.25 0.03 0.00 0.00 0.00 0.00 46.02 44.69 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 0.86 1.14 -0.39 -0.61 6.09 -1.91 -1.96 117.51 120.73 3ity h ILE 78 Ca 0.00 -0.49 -0.12 0.00 -1.37 0.00 0.00 64.86 62.89 3ity h ILE 78 Cb 0.00 0.83 -0.01 0.00 0.47 0.00 0.00 36.82 38.11 3ity h ILE 78 CO 0.00 0.18 -0.23 -0.26 -3.07 0.00 0.00 178.15 174.76 3ity h PHE 79 N 0.42 0.89 -0.48 2.19 0.04 -1.96 -0.06 116.94 117.98 3ity h PHE 79 Ca 0.10 -0.21 -0.12 0.00 2.80 0.00 0.00 57.97 60.54 3ity h PHE 79 Cb 0.16 -0.21 -0.01 0.00 2.20 0.00 0.00 35.95 38.08 3ity h PHE 79 CO 0.00 0.94 -0.18 -0.44 -0.60 0.00 0.00 178.31 178.03 3ity h ASP 80 N 0.68 0.98 -0.77 2.17 3.32 -1.87 -2.35 116.42 118.58 3ity h ASP 80 Ca 0.09 -0.35 -0.04 0.00 0.02 0.00 0.00 57.03 56.75 3ity h ASP 80 Cb 0.75 -0.27 -0.03 0.00 0.22 0.00 0.00 39.33 40.00 3ity h ASP 80 CO 0.06 1.13 0.32 0.11 -1.72 0.00 0.00 179.24 179.14 3ity h LYS 81 N 0.84 1.14 -0.61 3.56 1.57 -0.97 -1.34 116.57 120.77 3ity h LYS 81 Ca 0.12 -0.20 -0.08 0.00 -1.87 0.00 0.00 60.65 58.62 3ity h LYS 81 Cb 0.75 -0.19 -0.02 0.00 0.08 0.00 0.00 32.23 32.84 3ity h LYS 81 CO 0.06 0.92 0.05 -0.07 -0.57 0.00 0.00 179.45 179.84 3ity h LEU 82 N 1.12 1.01 -0.74 2.94 3.38 -0.88 0.90 115.31 123.04 3ity h LEU 82 Ca 0.26 -0.28 0.04 0.00 0.09 0.00 0.00 57.88 57.99 3ity h LEU 82 Cb 0.19 -0.27 -0.05 0.00 0.09 0.00 0.00 40.66 40.62 3ity h LEU 82 CO -0.02 1.04 0.46 0.44 0.09 0.00 0.00 178.44 180.44 3ity h ASP 83 N 0.94 0.74 -0.06 -0.43 3.32 -0.89 -0.04 116.42 120.00 3ity h ASP 83 Ca 0.18 0.01 -0.17 0.00 0.02 0.00 0.00 57.03 57.07 3ity h ASP 83 Cb 0.49 -0.15 -0.00 0.00 0.22 0.00 0.00 39.33 39.88 3ity h ASP 83 CO 0.02 0.50 -0.54 0.44 -1.72 0.00 0.00 179.24 177.94 3ity h ASP 84 N 0.88 0.72 0.20 6.45 3.32 -0.89 -2.90 116.42 124.20 3ity h ASP 84 Ca 0.31 -0.38 -0.06 0.00 0.02 0.00 0.00 57.03 56.92 3ity h ASP 84 Cb 0.06 -0.21 -0.01 0.00 0.22 0.00 0.00 39.33 39.40 3ity h ASP 84 CO -0.13 1.12 -0.23 0.00 -1.72 0.00 0.00 179.24 178.28 3ity h ALA 86 N 1.70 1.53 -0.24 0.00 0.00 -0.80 -2.13 119.26 119.31 3ity h ALA 86 Ca 0.01 -0.13 -0.13 0.00 0.00 0.00 0.00 54.91 54.66 3ity h ALA 86 Cb 0.46 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.22 3ity h ALA 86 CO 0.03 0.18 -0.36 0.28 0.00 0.00 0.00 179.25 179.38 3ity h VAL 87 N 0.00 1.31 -0.43 0.00 2.07 -1.38 -0.32 116.25 117.51 3ity h VAL 87 Ca -0.00 -1.56 0.00 0.00 0.82 0.00 0.00 66.70 65.96 3ity h VAL 87 Cb 0.30 1.73 -0.02 0.00 -1.52 0.00 0.00 31.29 31.78 3ity h VAL 87 CO 0.02 0.49 0.27 0.40 0.02 0.00 0.00 177.57 178.78 3ity h ILE 88 N 0.39 1.12 -0.28 4.57 2.04 -1.38 -1.40 117.51 122.57 3ity h ILE 88 Ca 0.02 -0.25 -0.07 0.00 1.00 0.00 0.00 64.86 65.56 3ity h ILE 88 Cb 0.95 0.52 -0.01 0.00 -0.74 0.00 0.00 36.82 37.54 3ity h ILE 88 CO 0.08 0.12 -0.10 -0.61 0.00 0.00 0.00 178.15 177.64 3ity h GLN 89 N 0.58 0.56 -0.55 2.37 5.75 -1.39 -0.95 115.11 121.48 3ity h GLN 89 Ca 0.16 -0.23 0.04 0.00 -0.15 0.00 0.00 58.65 58.47 3ity h GLN 89 Cb -0.04 -0.02 -0.04 0.00 1.07 0.00 0.00 27.48 28.45 3ity h GLN 89 CO -0.03 0.79 0.30 0.37 -2.65 0.00 0.00 178.83 177.60 3ity h GLN 90 N 0.31 0.56 0.11 1.69 4.15 -0.83 0.45 115.11 121.55 3ity h GLN 90 Ca 0.07 -0.03 -0.28 0.00 0.77 0.00 0.00 58.65 59.17 3ity h GLN 90 Cb 0.60 -0.13 -0.00 0.00 0.21 0.00 0.00 27.48 28.17 3ity h GLN 90 CO 0.03 0.37 -1.34 -0.07 -1.93 0.00 0.00 178.83 175.89 3ity h LEU 91 N 0.57 0.38 0.00 -2.39 3.38 -1.25 -3.35 115.31 112.65 3ity h LEU 91 Ca 0.24 -0.45 -0.19 0.00 0.09 0.00 0.00 57.88 57.57 3ity h LEU 91 Cb 0.12 -0.12 -0.04 0.00 0.09 0.00 0.00 40.66 40.71 3ity h LEU 91 CO -0.15 1.36 -2.19 0.35 0.09 0.00 0.00 178.44 177.91 3ity n THR 92 N -3.48 0.72 -1.54 0.22 -2.24 -0.37 -1.21 114.28 106.38 3ity n THR 92 Ca -0.11 -0.68 -0.19 0.00 -2.27 0.00 0.00 64.05 60.80 3ity n THR 92 Cb 1.03 -0.24 -0.08 0.00 -2.10 0.00 0.00 70.33 68.94 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 -2.51 -1.48 -0.01 -0.78 5.12 0.16 -4.78 116.66 112.38 3ity n ARG 93 Ca -0.19 1.14 0.04 0.00 -1.93 0.00 0.00 57.85 56.92 3ity n ARG 93 Cb 0.87 -5.52 0.04 0.00 -1.16 0.00 0.00 32.46 26.69 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 1.27 2.45 -3.10 7.54 0.00 -1.26 -4.75 120.51 122.66 3ity n ALA 94 Ca -0.19 -0.63 -0.21 0.00 0.00 0.00 0.00 53.44 52.41 3ity n ALA 94 Cb 0.65 -0.30 -0.03 0.00 0.00 0.00 0.00 19.45 19.77 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 0.47 1.03 0.31 0.00 -2.24 -1.26 -1.31 114.28 111.28 3ity n THR 95 Ca 0.05 -4.95 0.17 0.00 -2.27 0.00 0.00 64.05 57.05 3ity n THR 95 Cb 0.24 -0.70 0.76 0.00 -2.10 0.00 0.00 70.33 68.52 3ity n THR 95 CO 0.00 0.00 0.00 1.55 -0.57 0.00 0.00 175.07 176.05 3ity h PRO 96 N 3.01 0.00 -6.60 -0.78 0.13 -1.85 -3.40 132.00 122.50 3ity h PRO 96 Ca 0.11 0.00 -0.69 0.00 -0.87 0.00 0.00 66.00 64.55 3ity h PRO 96 Cb 0.80 0.00 -0.26 0.00 0.13 0.00 0.00 31.00 31.67 3ity h PRO 96 CO 0.62 0.00 -0.85 -0.80 -0.23 0.00 0.00 178.00 176.74 3ity s ASN 97 N -5.21 3.44 -0.07 1.44 0.01 -1.26 0.19 114.94 113.48 3ity s ASN 97 Ca 0.00 -0.46 0.02 0.00 -0.71 0.00 0.00 52.86 51.72 3ity s ASN 97 Cb 0.10 -0.47 -0.02 0.00 0.41 0.00 0.00 41.25 41.26 3ity s ASN 97 CO 0.47 0.29 -0.13 -0.69 -1.51 0.00 0.00 177.10 175.52 3ity s VAL 98 N -0.78 3.17 -0.22 1.60 1.01 0.04 -1.42 120.40 123.80 3ity s VAL 98 Ca 0.12 -0.67 -0.12 0.00 0.00 0.00 0.00 61.98 61.31 3ity s VAL 98 Cb -0.10 -2.27 -0.05 0.00 0.00 0.00 0.00 36.38 33.96 3ity s VAL 98 CO 0.02 0.58 0.20 -0.44 0.00 0.00 0.00 175.10 175.46 3ity s SER 99 N -0.54 6.22 0.32 3.32 0.01 0.12 -0.68 113.70 122.47 3ity s SER 99 Ca 0.08 0.24 -0.03 0.00 1.31 0.00 0.00 55.95 57.54 3ity s SER 99 Cb -0.12 -2.13 -0.05 0.00 0.21 0.00 0.00 66.02 63.94 3ity s SER 99 CO 0.02 0.08 0.57 -0.76 0.41 0.00 0.00 173.24 173.55 3ity s LEU 100 N 0.86 4.02 -0.10 2.44 1.43 -1.25 -1.78 118.68 124.30 3ity s LEU 100 Ca 0.10 0.66 0.02 0.00 -1.03 0.00 0.00 54.13 53.88 3ity s LEU 100 Cb -0.13 -3.50 0.01 0.00 0.03 0.00 0.00 46.19 42.61 3ity s LEU 100 CO 0.03 -0.25 -0.17 -2.28 0.23 0.00 0.00 176.35 173.92 3ity s HIS 101 N -2.19 2.03 -0.08 0.29 2.46 -1.26 -1.17 115.29 115.38 3ity s HIS 101 Ca 0.43 -0.91 0.00 0.00 0.47 0.00 0.00 55.06 55.05 3ity s HIS 101 Cb -0.10 -1.44 -0.03 0.00 -0.13 0.00 0.00 32.58 30.88 3ity s HIS 101 CO 0.33 -0.44 -0.05 0.42 -2.47 0.00 0.00 174.74 172.52 3ity s ILE 102 N 0.81 3.85 -2.19 0.89 -1.09 -0.44 0.14 121.20 123.17 3ity s ILE 102 Ca -0.10 -0.42 0.30 0.00 -2.23 0.00 0.00 60.65 58.20 3ity s ILE 102 Cb -0.16 -2.59 0.76 0.00 -1.58 0.00 0.00 42.46 38.89 3ity s ILE 102 CO 0.01 0.60 2.03 -0.81 -1.23 0.00 0.00 174.94 175.54 3ity n PRO 103 N 2.25 1.26 -0.25 2.79 -0.04 -1.26 -2.52 135.00 137.22 3ity n PRO 103 Ca -0.18 -0.39 0.06 0.00 -0.04 0.00 0.00 63.50 62.95 3ity n PRO 103 Cb 0.53 -1.49 0.18 0.00 -0.04 0.00 0.00 33.50 32.68 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 0.94 0.18 -0.58 0.54 6.55 -1.91 -1.15 115.95 120.53 3ity h TRP 104 Ca 0.00 0.05 0.00 0.00 0.95 0.00 0.00 58.89 59.89 3ity h TRP 104 Cb 0.20 0.04 0.00 0.00 -0.86 0.00 0.00 29.16 28.54 3ity h TRP 104 CO 0.00 -0.14 0.00 -0.25 -1.05 0.00 0.00 178.44 177.00 3ity n ASP 105 N -5.22 4.12 -4.70 -3.49 8.00 0.12 -4.74 116.55 110.65 3ity n ASP 105 Ca 0.14 -2.34 -0.44 0.00 0.71 0.00 0.00 54.79 52.87 3ity n ASP 105 Cb 0.48 -0.53 -0.04 0.00 -0.02 0.00 0.00 41.12 41.02 3ity n ASP 105 CO 0.00 0.00 0.00 1.17 -0.39 0.00 0.00 177.20 177.98 3ity n LYS 106 N 1.02 2.52 -3.66 -1.24 4.81 -0.44 -4.91 118.16 116.26 3ity n LYS 106 Ca 0.22 0.91 -0.01 0.00 -0.87 0.00 0.00 58.31 58.57 3ity n LYS 106 Cb 0.76 -2.73 -0.01 0.00 0.02 0.00 0.00 35.03 33.08 3ity n LYS 106 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 3ity s ALA 107 N 1.24 -2.02 -0.47 3.14 0.00 -1.26 -5.01 121.76 117.38 3ity s ALA 107 Ca 0.77 0.58 -0.31 0.00 0.00 0.00 0.00 51.96 53.00 3ity s ALA 107 Cb -0.58 0.42 -0.11 0.00 0.00 0.00 0.00 23.12 22.86 3ity s ALA 107 CO 0.35 -1.01 2.34 -3.47 0.00 0.00 0.00 175.76 173.98 3ity n ASP 108 N -0.45 2.09 -0.33 0.00 2.03 -1.26 -4.76 116.55 113.87 3ity n ASP 108 Ca -0.07 0.05 0.21 0.00 0.52 0.00 0.00 54.79 55.50 3ity n ASP 108 Cb 0.62 -1.36 0.47 0.00 -0.72 0.00 0.00 41.12 40.13 3ity n ASP 108 CO 0.00 0.00 0.00 -0.65 -1.92 0.00 0.00 177.20 174.63 3ity h PRO 109 N 15.05 0.44 -0.52 -0.67 0.11 -1.96 0.30 132.00 144.75 3ity h PRO 109 Ca -0.25 -0.03 -0.03 0.00 0.11 0.00 0.00 66.00 65.81 3ity h PRO 109 Cb 1.29 -0.10 -0.03 0.00 0.11 0.00 0.00 31.00 32.28 3ity h PRO 109 CO 1.11 0.29 0.21 0.87 -0.21 0.00 0.00 178.00 180.27 3ity h LYS 110 N 0.46 0.75 0.02 1.05 1.57 -1.87 -0.66 116.57 117.88 3ity h LYS 110 Ca 0.61 -0.11 -0.23 0.00 -1.87 0.00 0.00 60.65 59.06 3ity h LYS 110 Cb 1.42 -0.14 -0.00 0.00 0.08 0.00 0.00 32.23 33.60 3ity h LYS 110 CO -0.35 0.62 -0.98 0.93 -0.57 0.00 0.00 179.45 179.09 3ity h GLU 111 N 0.74 0.34 0.08 3.15 5.08 -0.83 -2.60 114.58 120.55 3ity h GLU 111 Ca 0.18 -0.40 -0.00 0.00 -1.00 0.00 0.00 59.36 58.14 3ity h GLU 111 Cb 0.15 0.12 0.00 0.00 0.50 0.00 0.00 28.75 29.52 3ity h GLU 111 CO -0.02 1.09 -0.04 -0.07 -1.00 0.00 0.00 179.01 178.97 3ity h LEU 112 N 0.18 -0.10 -0.79 1.33 3.38 -0.68 0.43 115.31 119.07 3ity h LEU 112 Ca -0.08 -0.00 0.03 0.00 0.09 0.00 0.00 57.88 57.91 3ity h LEU 112 Cb 1.63 0.02 -0.05 0.00 0.09 0.00 0.00 40.66 42.36 3ity h LEU 112 CO 0.16 -0.06 0.51 0.50 0.09 0.00 0.00 178.44 179.64 3ity h LYS 113 N -0.12 0.97 -0.49 1.13 1.63 -1.18 0.19 116.57 118.70 3ity h LYS 113 Ca -0.01 -0.06 -0.01 0.00 -0.85 0.00 0.00 60.65 59.72 3ity h LYS 113 Cb 0.09 -0.22 -0.02 0.00 -0.60 0.00 0.00 32.23 31.48 3ity h LYS 113 CO 0.02 0.64 0.27 0.00 -3.45 0.00 0.00 179.45 176.93 3ity h ALA 114 N 1.32 0.63 -0.58 5.00 0.00 -1.12 -0.66 119.26 123.85 3ity h ALA 114 Ca 0.31 -0.09 -0.10 0.00 0.00 0.00 0.00 54.91 55.03 3ity h ALA 114 Cb -0.02 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.55 3ity h ALA 114 CO -0.10 0.16 -0.01 -0.09 0.00 0.00 0.00 179.25 179.20 3ity h ARG 115 N 0.65 1.02 -0.05 0.00 9.65 -0.27 -2.36 114.38 123.02 3ity h ARG 115 Ca 0.17 -0.32 -0.00 0.00 -1.10 0.00 0.00 59.98 58.73 3ity h ARG 115 Cb 0.06 -0.09 -0.00 0.00 -1.39 0.00 0.00 29.97 28.54 3ity h ARG 115 CO -0.03 1.01 0.03 0.78 2.80 0.00 0.00 179.97 184.56 3ity h GLY 116 N 0.99 0.07 0.88 2.80 0.00 -0.22 -1.44 103.07 106.15 3ity h GLY 116 Ca 0.17 -0.03 0.03 0.00 0.00 0.00 0.00 47.33 47.50 3ity h GLY 116 CO 0.03 0.03 0.55 -0.55 0.00 0.00 0.00 176.54 176.60 3ity h ASP 117 N 0.01 0.91 -0.16 0.19 3.32 -1.05 0.26 116.42 119.90 3ity h ASP 117 Ca 0.02 -0.01 -0.07 0.00 0.02 0.00 0.00 57.03 56.99 3ity h ASP 117 Cb 0.06 -0.20 -0.02 0.00 0.22 0.00 0.00 39.33 39.39 3ity h ASP 117 CO -0.00 0.63 -0.10 0.00 -1.72 0.00 0.00 179.24 178.04 3ity h ALA 118 N 1.35 1.26 -0.01 3.45 0.00 -1.20 -2.72 119.26 121.40 3ity h ALA 118 Ca 0.34 -0.26 0.00 0.00 0.00 0.00 0.00 54.91 54.99 3ity h ALA 118 Cb 0.01 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 17.66 3ity h ALA 118 CO -0.12 0.49 -0.27 1.28 0.00 0.00 0.00 179.25 180.63 3ity n LEU 119 N -4.21 0.94 -0.51 0.00 4.77 -0.56 -1.97 117.00 115.46 3ity n LEU 119 Ca 0.01 -0.22 -0.03 0.00 -0.03 0.00 0.00 56.01 55.73 3ity n LEU 119 Cb 0.31 -0.14 0.00 0.00 -2.33 0.00 0.00 43.42 41.26 3ity n LEU 119 CO 0.40 0.18 -0.02 0.61 -1.33 0.00 0.00 177.39 177.23 3ity n GLY 120 N 1.35 0.36 3.35 -0.72 0.00 0.11 -4.89 105.19 104.75 3ity n GLY 120 Ca 0.12 -0.70 -0.31 0.00 0.00 0.00 0.00 46.02 45.13 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 -1.16 2.18 0.54 0.99 1.43 0.67 -4.89 118.68 118.45 3ity s LEU 121 Ca 0.02 -0.52 0.06 0.00 -1.03 0.00 0.00 54.13 52.66 3ity s LEU 121 Cb -0.01 -1.33 0.04 0.00 0.03 0.00 0.00 46.19 44.91 3ity s LEU 121 CO 0.03 0.28 0.42 -0.83 0.23 0.00 0.00 176.35 176.48 3ity s GLY 122 N -1.01 2.33 -0.10 -3.19 0.00 0.13 -3.91 107.32 101.57 3ity s GLY 122 Ca 0.11 -1.34 0.04 0.00 0.00 0.00 0.00 44.72 43.53 3ity s GLY 122 CO 0.01 -1.92 -0.22 -1.36 0.00 0.00 0.00 173.10 169.61 3ity s PHE 123 N -2.76 2.59 0.00 1.90 0.08 -1.26 -0.78 117.98 117.75 3ity s PHE 123 Ca 0.36 -0.91 0.00 0.00 0.12 0.00 0.00 56.93 56.50 3ity s PHE 123 Cb -0.02 -1.72 0.00 0.00 -0.57 0.00 0.00 43.02 40.71 3ity s PHE 123 CO 0.22 -0.34 0.00 -3.47 -0.10 0.00 0.00 175.22 171.53 3ity n ASP 124 N 3.42 0.00 -4.72 1.36 2.03 0.15 -4.24 116.55 114.55 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 -0.01 0.00 -0.72 0.00 0.00 41.12 40.92 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 1.55 -1.82 -1.67 0.00 -1.26 -4.55 120.51 109.76 3ity n ALA 125 Ca 0.00 0.36 -0.33 0.00 0.00 0.00 0.00 53.44 53.47 3ity n ALA 125 Cb 0.00 -2.29 -0.06 0.00 0.00 0.00 0.00 19.45 17.10 3ity n ALA 125 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 177.50 175.86 3ity s MET 126 N -1.91 4.10 -0.14 0.00 -1.94 0.42 -3.76 119.30 116.06 3ity s MET 126 Ca 0.55 1.09 0.01 0.00 -1.71 0.00 0.00 55.69 55.62 3ity s MET 126 Cb -0.55 -2.16 0.02 0.00 2.01 0.00 0.00 34.83 34.16 3ity s MET 126 CO 0.62 -0.14 -0.14 -0.80 -0.01 0.00 0.00 175.02 174.55 3ity s ASN 127 N -2.44 2.65 0.59 3.03 0.01 -0.32 -0.17 114.94 118.29 3ity s ASN 127 Ca 0.61 -0.48 -0.07 0.00 -0.71 0.00 0.00 52.86 52.21 3ity s ASN 127 Cb -0.10 -1.17 -0.01 0.00 0.41 0.00 0.00 41.25 40.38 3ity s ASN 127 CO 0.19 -0.05 0.92 -0.94 -1.51 0.00 0.00 177.10 175.72 3ity s SER 128 N 1.42 5.83 -0.30 -1.22 1.04 -1.13 -1.33 113.70 118.01 3ity s SER 128 Ca 0.03 0.94 -0.02 0.00 0.48 0.00 0.00 55.95 57.38 3ity s SER 128 Cb -0.13 -1.99 0.10 0.00 0.10 0.00 0.00 66.02 64.10 3ity s SER 128 CO -0.09 -0.96 0.12 0.21 0.98 0.00 0.00 173.24 173.50 3ity s ASN 129 N -4.25 3.70 -0.19 7.02 3.84 -1.05 -4.69 114.94 119.33 3ity s ASN 129 Ca 0.53 -1.50 0.14 0.00 0.21 0.00 0.00 52.86 52.24 3ity s ASN 129 Cb -0.11 -0.57 0.44 0.00 -0.55 0.00 0.00 41.25 40.47 3ity s ASN 129 CO 0.48 -0.42 1.19 0.35 -2.79 0.00 0.00 177.10 175.91 3ity n THR 130 N 5.00 1.73 -0.01 -5.21 -2.24 -1.26 -4.62 114.28 107.67 3ity n THR 130 Ca -0.03 -2.95 0.04 0.00 -2.27 0.00 0.00 64.05 58.84 3ity n THR 130 Cb 0.42 -0.03 0.09 0.00 -2.10 0.00 0.00 70.33 68.70 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 -0.65 0.24 -3.62 4.78 1.16 -1.26 -4.59 117.46 113.52 3ity n PHE 131 Ca 0.20 -0.38 -0.12 0.00 -1.87 0.00 0.00 57.45 55.29 3ity n PHE 131 Cb 0.85 -0.03 -0.05 0.00 -1.61 0.00 0.00 39.48 38.65 3ity n PHE 131 CO 0.00 0.00 0.00 -1.54 -1.87 0.00 0.00 176.76 173.35 3ity s SER 132 N -0.91 -0.31 -0.11 5.98 1.04 -1.26 -4.94 113.70 113.19 3ity s SER 132 Ca 0.14 -0.10 -0.13 0.00 0.48 0.00 0.00 55.95 56.34 3ity s SER 132 Cb 0.08 0.47 -0.05 0.00 0.10 0.00 0.00 66.02 66.62 3ity s SER 132 CO 0.11 -0.77 0.31 -1.81 0.98 0.00 0.00 173.24 172.05 3ity s ASP 133 N -2.38 6.54 0.31 7.02 1.01 -1.26 -4.86 116.67 123.05 3ity s ASP 133 Ca -0.01 0.64 0.01 0.00 0.71 0.00 0.00 52.55 53.89 3ity s ASP 133 Cb 0.00 -2.19 -0.03 0.00 1.01 0.00 0.00 42.92 41.71 3ity s ASP 133 CO -0.07 0.21 0.49 0.00 0.21 0.00 0.00 175.17 176.01 3ity s ALA 134 N -0.19 3.76 0.19 5.23 0.00 -1.26 -5.03 121.76 124.45 3ity s ALA 134 Ca 0.19 -0.95 -0.33 0.00 0.00 0.00 0.00 51.96 50.87 3ity s ALA 134 Cb -0.14 -2.03 -0.13 0.00 0.00 0.00 0.00 23.12 20.82 3ity s ALA 134 CO 0.07 0.09 1.61 -2.30 0.00 0.00 0.00 175.76 175.23 3ity n PRO 135 N -1.55 2.37 -0.96 0.00 -0.02 -1.26 -1.88 135.00 131.71 3ity n PRO 135 Ca -0.06 0.85 0.00 0.00 -2.02 0.00 0.00 63.50 62.28 3ity n PRO 135 Cb 0.56 -2.64 0.00 0.00 -0.02 0.00 0.00 33.50 31.40 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 3.43 0.77 3.70 -1.23 0.00 -1.26 -4.98 105.19 105.63 3ity n GLY 136 Ca 0.16 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.76 3ity n GLY 136 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 3ity s GLN 137 N -0.15 4.13 0.09 1.61 0.74 -0.79 -4.92 119.66 120.37 3ity s GLN 137 Ca 0.00 2.62 -0.19 0.00 0.05 0.00 0.00 55.36 57.84 3ity s GLN 137 Cb 0.00 -3.36 -0.08 0.00 1.10 0.00 0.00 33.01 30.67 3ity s GLN 137 CO 0.00 -0.81 1.56 0.00 -0.55 0.00 0.00 175.29 175.49 3ity h ALA 138 N 7.81 0.34 -3.73 1.58 0.00 -1.93 -3.44 119.26 119.88 3ity h ALA 138 Ca -0.45 -0.19 -0.68 0.00 0.00 0.00 0.00 54.91 53.59 3ity h ALA 138 Cb 1.21 -0.10 -0.31 0.00 0.00 0.00 0.00 17.79 18.60 3ity h ALA 138 CO 0.95 0.02 -0.86 -1.01 0.00 0.00 0.00 179.25 178.35 3ity s HIS 139 N -5.17 2.54 0.46 0.00 3.76 -1.26 -5.12 115.29 110.50 3ity s HIS 139 Ca -0.14 -0.77 -0.21 0.00 -0.15 0.00 0.00 55.06 53.80 3ity s HIS 139 Cb 0.08 -1.66 -0.10 0.00 1.11 0.00 0.00 32.58 32.01 3ity s HIS 139 CO 0.74 -0.25 1.00 0.45 -0.85 0.00 0.00 174.74 175.83 3ity s SER 140 N 0.01 6.61 -0.13 1.40 0.15 -1.26 -4.97 113.70 115.52 3ity s SER 140 Ca -0.08 1.82 0.18 0.00 0.70 0.00 0.00 55.95 58.57 3ity s SER 140 Cb -0.15 -2.55 0.74 0.00 -1.71 0.00 0.00 66.02 62.34 3ity s SER 140 CO 0.05 -0.59 1.65 -1.22 1.20 0.00 0.00 173.24 174.33 3ity n TYR 141 N -0.81 1.56 -0.30 3.44 4.01 -1.26 -4.56 117.16 119.24 3ity n TYR 141 Ca 0.08 -0.63 0.10 0.00 -0.16 0.00 0.00 57.90 57.29 3ity n TYR 141 Cb 0.53 -0.28 0.26 0.00 -0.31 0.00 0.00 39.34 39.55 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 4.06 0.50 -0.46 -0.72 3.64 -1.94 -1.03 116.57 120.62 3ity h LYS 142 Ca 0.00 -0.03 -0.02 0.00 -1.27 0.00 0.00 60.65 59.33 3ity h LYS 142 Cb 1.53 -0.11 -0.01 0.00 -0.41 0.00 0.00 32.23 33.22 3ity h LYS 142 CO 0.27 0.33 0.02 0.66 -2.27 0.00 0.00 179.45 178.46 3ity n TYR 143 N -4.95 1.64 0.00 1.91 4.01 -1.26 -5.06 117.16 113.45 3ity n TYR 143 Ca 0.19 -0.85 0.00 0.00 -0.16 0.00 0.00 57.90 57.08 3ity n TYR 143 Cb 0.54 -0.45 0.00 0.00 -0.31 0.00 0.00 39.34 39.12 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 0.05 1.50 0.00 2.72 0.00 -0.39 -4.66 105.19 104.42 3ity n GLY 144 Ca 0.27 -2.20 0.00 0.00 0.00 0.00 0.00 46.02 44.09 3ity n GLY 144 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3ity n SER 145 N 0.00 0.00 0.31 1.61 3.41 -1.26 -4.27 113.62 113.42 3ity n SER 145 Ca 0.00 0.00 0.20 0.00 -0.26 0.00 0.00 58.87 58.81 3ity n SER 145 Cb 0.00 0.00 0.98 0.00 -0.26 0.00 0.00 64.21 64.93 3ity n SER 145 CO 0.00 0.00 0.00 -0.07 -0.16 0.00 0.00 175.04 174.81 3ity h LEU 146 N 0.00 0.00 -2.85 1.04 3.38 -1.86 -2.27 115.31 112.74 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 0.01 0.00 -1.54 0.09 0.00 0.00 178.44 177.00 3ity n SER 147 N -3.16 2.49 -4.70 -0.43 3.41 -1.26 -3.74 113.62 106.24 3ity n SER 147 Ca -0.02 -1.96 -0.39 0.00 -0.26 0.00 0.00 58.87 56.24 3ity n SER 147 Cb 0.17 -0.13 0.04 0.00 -0.26 0.00 0.00 64.21 64.03 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 0.11 1.87 0.25 7.33 -0.00 -0.86 -4.78 115.22 119.14 3ity n HIS 148 Ca 0.07 0.45 0.12 0.00 -0.00 0.00 0.00 57.72 58.36 3ity n HIS 148 Cb 0.34 -2.30 0.66 0.00 -0.00 0.00 0.00 29.99 28.69 3ity n HIS 148 CO 0.00 0.00 0.00 1.79 -0.00 0.00 0.00 176.34 178.13 3ity h THR 149 N 1.30 0.54 -3.45 3.57 1.35 -1.90 -3.42 112.91 110.89 3ity h THR 149 Ca -0.49 -0.70 -0.61 0.00 -0.55 0.00 0.00 66.41 64.06 3ity h THR 149 Cb 1.32 1.47 -0.11 0.00 -1.73 0.00 0.00 68.15 69.10 3ity h THR 149 CO 0.56 0.14 0.36 0.21 -0.25 0.00 0.00 175.52 176.54 3ity s ASN 150 N -6.13 6.63 0.23 5.36 2.47 -1.26 -4.96 114.94 117.28 3ity s ASN 150 Ca -0.02 0.61 -0.07 0.00 0.42 0.00 0.00 52.86 53.81 3ity s ASN 150 Cb 0.12 -2.39 0.36 0.00 -1.45 0.00 0.00 41.25 37.89 3ity s ASN 150 CO 0.59 -0.60 1.73 0.00 -3.72 0.00 0.00 177.10 175.10 3ity h ALA 151 N 8.14 0.89 -0.52 1.71 0.00 -1.99 -1.08 119.26 126.41 3ity h ALA 151 Ca -0.25 0.11 0.04 0.00 0.00 0.00 0.00 54.91 54.81 3ity h ALA 151 Cb 1.10 0.10 -0.03 0.00 0.00 0.00 0.00 17.79 18.96 3ity h ALA 151 CO 0.87 -0.22 0.35 0.00 0.00 0.00 0.00 179.25 180.25 3ity h ALA 152 N 1.49 1.79 -0.19 0.00 0.00 -1.96 0.78 119.26 121.17 3ity h ALA 152 Ca 0.36 -0.02 -0.16 0.00 0.00 0.00 0.00 54.91 55.08 3ity h ALA 152 Cb 0.51 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.15 3ity h ALA 152 CO -0.37 0.15 -0.50 1.15 0.00 0.00 0.00 179.25 179.67 3ity h THR 153 N 0.56 1.32 -0.51 0.00 2.02 -1.57 -1.94 112.91 112.79 3ity h THR 153 Ca 0.21 -1.73 -0.04 0.00 0.77 0.00 0.00 66.41 65.62 3ity h THR 153 Cb 0.15 1.89 -0.02 0.00 -1.74 0.00 0.00 68.15 68.43 3ity h THR 153 CO -0.06 0.54 0.18 0.03 0.37 0.00 0.00 175.52 176.59 3ity h ARG 154 N 0.38 0.78 -0.96 6.66 3.08 -0.78 -1.51 114.38 122.03 3ity h ARG 154 Ca -0.01 -0.15 0.03 0.00 0.07 0.00 0.00 59.98 59.92 3ity h ARG 154 Cb 1.12 -0.12 -0.05 0.00 0.08 0.00 0.00 29.97 31.00 3ity h ARG 154 CO 0.11 0.71 0.62 0.00 -1.07 0.00 0.00 179.97 180.34 3ity h ALA 155 N 1.03 1.26 -0.73 0.04 0.00 -0.82 0.82 119.26 120.86 3ity h ALA 155 Ca 0.17 -0.05 -0.06 0.00 0.00 0.00 0.00 54.91 54.97 3ity h ALA 155 Cb 0.24 -0.34 -0.03 0.00 0.00 0.00 0.00 17.79 17.65 3ity h ALA 155 CO -0.01 0.52 0.23 0.37 0.00 0.00 0.00 179.25 180.35 3ity h GLN 156 N 1.22 1.13 -0.50 0.00 4.15 -1.00 -0.18 115.11 119.93 3ity h GLN 156 Ca 0.38 -0.24 -0.08 0.00 0.77 0.00 0.00 58.65 59.47 3ity h GLN 156 Cb -0.02 -0.16 -0.02 0.00 0.21 0.00 0.00 27.48 27.49 3ity h GLN 156 CO -0.12 0.97 -0.01 0.00 -1.93 0.00 0.00 178.83 177.74 3ity h ALA 157 N 1.11 0.67 -0.26 3.38 0.00 -0.34 -0.76 119.26 123.06 3ity h ALA 157 Ca 0.24 -0.29 -0.01 0.00 0.00 0.00 0.00 54.91 54.85 3ity h ALA 157 Cb 0.31 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.90 3ity h ALA 157 CO -0.01 0.49 0.13 0.28 0.00 0.00 0.00 179.25 180.14 3ity h VAL 158 N 0.74 1.14 -0.96 0.00 2.07 -0.59 -2.07 116.25 116.58 3ity h VAL 158 Ca 0.14 -0.40 0.02 0.00 0.82 0.00 0.00 66.70 67.28 3ity h VAL 158 Cb 0.52 0.93 -0.05 0.00 -1.52 0.00 0.00 31.29 31.17 3ity h VAL 158 CO 0.03 0.14 0.63 -0.08 0.02 0.00 0.00 177.57 178.31 3ity h GLU 159 N 0.29 1.23 -0.55 1.57 4.57 -0.82 -1.29 114.58 119.58 3ity h GLU 159 Ca 0.09 -0.07 -0.01 0.00 -1.18 0.00 0.00 59.36 58.19 3ity h GLU 159 Cb 0.11 -0.28 -0.03 0.00 -0.16 0.00 0.00 28.75 28.40 3ity h GLU 159 CO -0.01 0.81 0.32 1.25 -1.18 0.00 0.00 179.01 180.20 3ity h HIS 160 N 1.26 0.74 -0.74 0.92 2.76 -0.86 -1.07 115.15 118.16 3ity h HIS 160 Ca 0.37 -0.01 -0.04 0.00 -2.20 0.00 0.00 60.37 58.49 3ity h HIS 160 Cb -0.08 -0.24 -0.03 0.00 1.55 0.00 0.00 27.41 28.61 3ity h HIS 160 CO -0.01 0.52 0.31 -0.91 -1.30 0.00 0.00 177.93 176.55 3ity h ASN 161 N 0.74 0.99 -0.17 3.26 2.35 -0.76 -1.46 115.58 120.54 3ity h ASN 161 Ca 0.20 -0.14 -0.06 0.00 -0.55 0.00 0.00 56.30 55.75 3ity h ASN 161 Cb 0.01 -0.26 -0.02 0.00 0.05 0.00 0.00 38.32 38.11 3ity h ASN 161 CO -0.03 0.87 -0.06 -0.07 -1.65 0.00 0.00 177.43 176.49 3ity h LEU 162 N 1.07 0.46 -0.75 1.61 3.38 -0.77 -1.88 115.31 118.42 3ity h LEU 162 Ca 0.25 -0.10 -0.09 0.00 0.09 0.00 0.00 57.88 58.03 3ity h LEU 162 Cb 0.18 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 40.79 3ity h LEU 162 CO -0.02 0.58 -0.07 -0.08 0.09 0.00 0.00 178.44 178.94 3ity h GLU 163 N 0.46 0.88 -0.73 1.13 4.81 -0.38 -2.02 114.58 118.73 3ity h GLU 163 Ca 0.09 -0.28 0.00 0.00 -0.13 0.00 0.00 59.36 59.04 3ity h GLU 163 Cb 0.40 -0.08 -0.04 0.00 0.63 0.00 0.00 28.75 29.67 3ity h GLU 163 CO 0.02 0.92 0.47 0.00 -0.73 0.00 0.00 179.01 179.69 3ity h ILE 165 N 0.99 1.24 -0.74 0.00 2.04 -0.88 -1.06 117.51 119.10 3ity h ILE 165 Ca 0.27 -0.86 0.02 0.00 1.00 0.00 0.00 64.86 65.29 3ity h ILE 165 Cb -0.10 1.13 -0.04 0.00 -0.74 0.00 0.00 36.82 37.06 3ity h ILE 165 CO -0.06 0.29 0.48 -0.33 0.00 0.00 0.00 178.15 178.53 3ity h GLU 166 N 0.41 0.93 -0.20 2.37 4.39 -0.75 -0.08 114.58 121.64 3ity h GLU 166 Ca 0.10 -0.06 -0.02 0.00 0.34 0.00 0.00 59.36 59.73 3ity h GLU 166 Cb 0.37 -0.21 -0.01 0.00 -0.10 0.00 0.00 28.75 28.80 3ity h GLU 166 CO 0.01 0.61 0.06 0.82 -1.16 0.00 0.00 179.01 179.35 3ity h ILE 167 N 0.95 1.20 -0.65 3.13 2.04 -1.21 -2.99 117.51 119.98 3ity h ILE 167 Ca 0.29 -0.63 -0.00 0.00 1.00 0.00 0.00 64.86 65.52 3ity h ILE 167 Cb -0.04 1.23 -0.03 0.00 -0.74 0.00 0.00 36.82 37.24 3ity h ILE 167 CO -0.09 0.20 0.40 1.23 0.00 0.00 0.00 178.15 179.89 3ity h GLY 168 N 0.15 0.93 2.00 5.37 0.00 -0.72 -2.09 103.07 108.71 3ity h GLY 168 Ca 0.06 -0.37 -0.04 0.00 0.00 0.00 0.00 47.33 46.98 3ity h GLY 168 CO -0.00 0.36 -0.18 0.50 0.00 0.00 0.00 176.54 177.22 3ity h LYS 169 N 0.89 0.00 0.00 4.80 1.57 -0.88 -0.14 116.57 122.81 3ity h LYS 169 Ca 0.23 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.01 3ity h LYS 169 Cb -0.05 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.26 3ity h LYS 169 CO -0.05 0.18 0.00 0.00 -0.57 0.00 0.00 179.45 179.01 3ity h ALA 170 N 1.82 1.00 -0.13 3.86 0.00 -1.28 -3.32 119.26 121.21 3ity h ALA 170 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3ity h ALA 170 Cb 0.32 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.11 3ity h ALA 170 CO 0.02 0.00 0.00 0.44 0.00 0.00 0.00 179.25 179.71 3ity n ILE 171 N -3.09 0.41 -0.22 0.00 -5.35 -0.94 -4.82 119.36 105.35 3ity n ILE 171 Ca 0.03 -0.70 0.00 0.00 -0.27 0.00 0.00 62.75 61.81 3ity n ILE 171 Cb 0.49 0.91 0.00 0.00 -1.74 0.00 0.00 39.64 39.30 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 0.46 0.89 3.79 3.28 0.00 -0.90 -4.52 105.19 108.19 3ity n GLY 172 Ca 0.07 -0.01 -0.35 0.00 0.00 0.00 0.00 46.02 45.73 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 -2.01 6.55 -0.09 1.61 0.15 -0.11 -4.81 113.70 114.97 3ity s SER 173 Ca 0.00 1.96 0.13 0.00 0.70 0.00 0.00 55.95 58.74 3ity s SER 173 Cb 0.00 -2.57 0.24 0.00 -1.71 0.00 0.00 66.02 61.98 3ity s SER 173 CO 0.00 -0.64 1.12 0.29 1.20 0.00 0.00 173.24 175.21 3ity n LYS 174 N -0.59 0.85 -3.51 5.44 4.76 -1.26 -4.47 118.16 119.38 3ity n LYS 174 Ca 0.07 -2.20 -0.12 0.00 -2.87 0.00 0.00 58.31 53.19 3ity n LYS 174 Cb 0.51 -1.10 -0.04 0.00 -1.84 0.00 0.00 35.03 32.57 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 -1.87 -1.79 -0.13 7.82 0.00 -1.26 -2.00 121.76 122.53 3ity s ALA 175 Ca 0.24 1.15 0.01 0.00 0.00 0.00 0.00 51.96 53.36 3ity s ALA 175 Cb 0.23 0.10 0.02 0.00 0.00 0.00 0.00 23.12 23.46 3ity s ALA 175 CO -0.01 -0.52 -0.16 -1.17 0.00 0.00 0.00 175.76 173.90 3ity s LEU 176 N -1.82 1.76 -0.21 0.00 2.96 -0.71 -0.44 118.68 120.21 3ity s LEU 176 Ca -0.02 -0.48 -0.09 0.00 -0.22 0.00 0.00 54.13 53.32 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 -0.02 -0.01 0.12 -0.89 -1.32 0.00 0.00 176.35 174.24 3ity s THR 177 N 1.18 5.17 -0.32 3.68 2.01 0.76 -0.59 115.64 127.53 3ity s THR 177 Ca -0.02 0.11 -0.01 0.00 0.31 0.00 0.00 61.69 62.08 3ity s THR 177 Cb -0.14 -3.38 0.06 0.00 0.01 0.00 0.00 72.50 69.06 3ity s THR 177 CO -0.06 0.40 0.02 -0.69 -0.69 0.00 0.00 174.62 173.61 3ity s VAL 178 N 0.70 2.86 -0.13 3.82 1.01 0.12 -2.82 120.40 125.97 3ity s VAL 178 Ca 0.06 -1.61 0.01 0.00 0.00 0.00 0.00 61.98 60.45 3ity s VAL 178 Cb -0.13 -2.74 0.02 0.00 0.00 0.00 0.00 36.38 33.53 3ity s VAL 178 CO 0.01 -0.23 -0.16 0.86 0.00 0.00 0.00 175.10 175.59 3ity s TRP 179 N 1.18 2.13 0.23 5.22 -0.00 -1.26 -2.14 118.94 124.30 3ity s TRP 179 Ca -0.02 -1.09 0.09 0.00 -0.00 0.00 0.00 56.10 55.08 3ity s TRP 179 Cb -0.20 -1.54 -0.05 0.00 -0.00 0.00 0.00 33.47 31.68 3ity s TRP 179 CO -0.03 -0.57 -0.16 0.96 -0.00 0.00 0.00 176.95 177.15 3ity s ILE 180 N 1.17 1.99 -2.35 5.86 -4.36 -1.26 -4.70 121.20 117.55 3ity s ILE 180 Ca -0.02 -2.28 0.26 0.00 -0.26 0.00 0.00 60.65 58.36 3ity s ILE 180 Cb -0.14 -2.13 0.37 0.00 1.25 0.00 0.00 42.46 41.81 3ity s ILE 180 CO -0.05 -0.53 1.56 0.61 0.24 0.00 0.00 174.94 176.77 3ity n GLY 181 N -0.45 0.01 3.31 6.27 0.00 -1.26 -4.95 105.19 108.11 3ity n GLY 181 Ca -0.07 -0.49 -0.56 0.00 0.00 0.00 0.00 46.02 44.89 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 0.14 0.13 0.00 1.61 9.92 -1.26 -4.13 116.55 122.95 3ity n ASP 182 Ca 0.15 1.09 0.00 0.00 -0.53 0.00 0.00 54.79 55.51 3ity n ASP 182 Cb 0.40 -0.86 0.00 0.00 -0.64 0.00 0.00 41.12 40.03 3ity n ASP 182 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 3ity n GLY 183 N 1.68 -0.55 3.08 0.44 0.00 -1.26 -1.75 105.19 106.83 3ity n GLY 183 Ca 0.20 -0.79 -0.07 0.00 0.00 0.00 0.00 46.02 45.35 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 0.48 0.00 1.61 1.04 0.70 -4.89 113.70 108.65 3ity s SER 184 Ca 0.00 -0.95 0.12 0.00 0.48 0.00 0.00 55.95 55.60 3ity s SER 184 Cb 0.00 0.19 -0.01 0.00 0.10 0.00 0.00 66.02 66.30 3ity s SER 184 CO 0.00 -0.56 0.69 0.59 0.98 0.00 0.00 173.24 174.94 3ity n ASN 185 N 0.27 1.31 -3.91 7.02 4.13 -1.26 -1.31 115.26 121.51 3ity n ASN 185 Ca -0.15 -1.16 -0.12 0.00 1.68 0.00 0.00 54.58 54.83 3ity n ASN 185 Cb 0.60 0.48 -0.13 0.00 -1.54 0.00 0.00 39.78 39.19 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 -1.54 0.14 0.30 3.10 0.08 -1.26 -4.43 117.98 114.38 3ity s PHE 186 Ca 0.10 -0.13 -0.29 0.00 0.12 0.00 0.00 56.93 56.72 3ity s PHE 186 Cb 0.10 -0.10 -0.11 0.00 -0.57 0.00 0.00 43.02 42.34 3ity s PHE 186 CO 0.30 -0.04 1.51 -2.14 -0.10 0.00 0.00 175.22 174.76 3ity s PRO 187 N -0.34 4.17 0.00 0.24 0.02 -1.26 -1.81 135.00 136.02 3ity s PRO 187 Ca -0.03 2.48 0.00 0.00 0.02 0.00 0.00 61.00 63.47 3ity s PRO 187 Cb -0.02 -3.04 0.00 0.00 0.02 0.00 0.00 34.50 31.46 3ity s PRO 187 CO -0.00 -0.52 0.00 0.41 -0.33 0.00 0.00 177.00 176.55 3ity n GLY 188 N 1.71 3.02 0.35 0.52 0.00 -1.26 -4.88 105.19 104.65 3ity n GLY 188 Ca 0.06 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.15 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 1.00 0.86 -6.20 1.61 4.15 -1.79 -3.42 115.11 111.32 3ity h GLN 189 Ca 0.00 -0.05 -0.57 0.00 0.77 0.00 0.00 58.65 58.80 3ity h GLN 189 Cb 0.00 -0.19 -0.19 0.00 0.21 0.00 0.00 27.48 27.30 3ity h GLN 189 CO 0.00 0.57 -0.81 -1.12 -1.93 0.00 0.00 178.83 175.54 3ity s SER 190 N -5.60 2.83 -0.44 -0.69 0.01 -1.26 -5.09 113.70 103.47 3ity s SER 190 Ca -0.12 -0.81 -0.17 0.00 1.31 0.00 0.00 55.95 56.17 3ity s SER 190 Cb 0.22 -0.18 0.03 0.00 0.21 0.00 0.00 66.02 66.31 3ity s SER 190 CO 0.80 0.04 0.41 0.21 0.41 0.00 0.00 173.24 175.11 3ity s ASN 191 N -2.42 6.17 0.23 2.44 3.84 -1.26 -4.97 114.94 118.97 3ity s ASN 191 Ca 0.14 -0.88 -0.15 0.00 0.21 0.00 0.00 52.86 52.19 3ity s ASN 191 Cb -0.08 -2.21 0.28 0.00 -0.55 0.00 0.00 41.25 38.69 3ity s ASN 191 CO 0.07 -0.59 1.58 -0.26 -2.79 0.00 0.00 177.10 175.10 3ity h PHE 192 N 8.73 -0.73 -0.21 0.43 0.04 -1.98 -0.83 116.94 122.39 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 0.45 -0.01 0.00 2.20 0.00 0.00 35.95 39.70 3ity h PHE 192 CO 0.62 -0.38 -0.09 1.15 -0.60 0.00 0.00 178.31 179.00 3ity h THR 193 N -0.04 1.30 -0.73 -1.55 2.02 -1.99 -2.23 112.91 109.69 3ity h THR 193 Ca 0.35 -1.15 -0.05 0.00 0.77 0.00 0.00 66.41 66.33 3ity h THR 193 Cb 0.60 1.60 -0.03 0.00 -1.74 0.00 0.00 68.15 68.58 3ity h THR 193 CO -0.86 0.35 0.26 0.03 0.37 0.00 0.00 175.52 175.67 3ity h ARG 194 N 0.15 1.11 -0.56 6.66 3.08 -1.87 0.92 114.38 123.88 3ity h ARG 194 Ca 0.05 -0.22 -0.03 0.00 0.07 0.00 0.00 59.98 59.85 3ity h ARG 194 Cb 0.58 -0.17 -0.03 0.00 0.08 0.00 0.00 29.97 30.43 3ity h ARG 194 CO 0.03 0.93 0.23 0.00 -1.07 0.00 0.00 179.97 180.09 3ity h ALA 195 N 1.20 0.73 -0.46 0.04 0.00 -1.16 -0.59 119.26 119.02 3ity h ALA 195 Ca 0.24 -0.16 -0.10 0.00 0.00 0.00 0.00 54.91 54.90 3ity h ALA 195 Cb 0.26 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.81 3ity h ALA 195 CO -0.01 0.33 -0.10 0.35 0.00 0.00 0.00 179.25 179.82 3ity h PHE 196 N 0.77 0.91 -0.63 0.00 3.57 -0.97 -1.25 116.94 119.34 3ity h PHE 196 Ca 0.19 -0.17 -0.02 0.00 3.53 0.00 0.00 57.97 61.50 3ity h PHE 196 Cb 0.19 -0.23 -0.03 0.00 2.79 0.00 0.00 35.95 38.66 3ity h PHE 196 CO 0.01 0.88 0.31 0.93 -2.23 0.00 0.00 178.31 178.21 3ity h GLU 197 N 0.75 0.90 -0.61 1.11 5.08 -0.38 -0.45 114.58 120.98 3ity h GLU 197 Ca 0.13 -0.13 -0.03 0.00 -1.00 0.00 0.00 59.36 58.33 3ity h GLU 197 Cb 0.59 -0.16 -0.03 0.00 0.50 0.00 0.00 28.75 29.65 3ity h GLU 197 CO 0.04 0.71 0.26 0.00 -1.00 0.00 0.00 179.01 179.02 3ity h ARG 198 N 0.86 0.89 -0.04 2.33 3.08 -0.77 -1.85 114.38 118.88 3ity h ARG 198 Ca 0.22 -0.15 0.01 0.00 0.07 0.00 0.00 59.98 60.12 3ity h ARG 198 Cb 0.10 -0.15 -0.01 0.00 0.08 0.00 0.00 29.97 29.99 3ity h ARG 198 CO -0.03 0.75 0.00 -0.92 -1.07 0.00 0.00 179.97 178.70 3ity h TYR 199 N 0.84 0.00 -0.93 3.04 5.03 -0.84 -1.46 116.97 122.65 3ity h TYR 199 Ca 0.20 0.00 0.05 0.00 2.58 0.00 0.00 58.73 61.57 3ity h TYR 199 Cb 0.17 0.00 -0.06 0.00 1.55 0.00 0.00 36.73 38.40 3ity h TYR 199 CO 0.01 -0.00 0.60 -0.07 -1.32 0.00 0.00 178.16 177.37 3ity h LEU 200 N 0.02 0.97 -0.55 2.82 3.38 -0.88 0.86 115.31 121.94 3ity h LEU 200 Ca 0.02 0.00 -0.11 0.00 0.09 0.00 0.00 57.88 57.88 3ity h LEU 200 Cb 0.02 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 40.54 3ity h LEU 200 CO -0.03 0.65 -0.07 -1.28 0.09 0.00 0.00 178.44 177.80 3ity h SER 201 N 1.13 1.02 -0.31 -0.43 0.87 -1.09 -0.90 113.55 113.84 3ity h SER 201 Ca 0.39 -0.34 -0.07 0.00 -1.23 0.00 0.00 61.79 60.54 3ity h SER 201 Cb 0.08 -0.28 -0.01 0.00 -0.44 0.00 0.00 62.40 61.75 3ity h SER 201 CO -0.14 1.12 -0.08 0.00 -0.53 0.00 0.00 176.83 177.19 3ity h ALA 202 N 0.94 0.43 -0.06 6.23 0.00 -0.66 -2.70 119.26 123.43 3ity h ALA 202 Ca 0.15 -0.29 -0.04 0.00 0.00 0.00 0.00 54.91 54.73 3ity h ALA 202 Cb 0.64 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.31 3ity h ALA 202 CO 0.04 0.26 -0.15 0.52 0.00 0.00 0.00 179.25 179.92 3ity h MET 203 N 0.37 0.09 -0.36 0.00 2.07 -0.75 -1.53 114.93 114.82 3ity h MET 203 Ca 0.08 -0.02 -0.06 0.00 -2.07 0.00 0.00 59.70 57.62 3ity h MET 203 Cb 0.57 -0.01 -0.02 0.00 -1.87 0.00 0.00 31.60 30.27 3ity h MET 203 CO 0.03 0.25 -0.05 0.00 1.07 0.00 0.00 176.91 178.22 3ity h ALA 204 N 1.76 1.24 -0.43 6.32 0.00 -0.87 0.14 119.26 127.41 3ity h ALA 204 Ca 0.02 -0.25 -0.11 0.00 0.00 0.00 0.00 54.91 54.57 3ity h ALA 204 Cb 0.33 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.95 3ity h ALA 204 CO 0.02 0.50 -0.17 0.93 0.00 0.00 0.00 179.25 180.53 3ity h GLU 205 N 0.56 0.88 -0.35 0.00 5.08 -0.99 -0.30 114.58 119.46 3ity h GLU 205 Ca 0.11 -0.37 -0.03 0.00 -1.00 0.00 0.00 59.36 58.08 3ity h GLU 205 Cb 0.43 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.63 3ity h GLU 205 CO 0.02 1.01 0.11 0.82 -1.00 0.00 0.00 179.01 179.98 3ity h ILE 206 N 0.71 1.21 -0.78 3.13 2.04 -0.91 -2.58 117.51 120.33 3ity h ILE 206 Ca 0.10 -0.67 0.05 0.00 1.00 0.00 0.00 64.86 65.34 3ity h ILE 206 Cb 0.73 0.99 -0.05 0.00 -0.74 0.00 0.00 36.82 37.75 3ity h ILE 206 CO 0.06 0.23 0.48 0.22 0.00 0.00 0.00 178.15 179.14 3ity h TYR 207 N 0.41 0.89 -0.50 1.37 5.03 -0.58 -0.60 116.97 122.99 3ity h TYR 207 Ca 0.11 0.03 0.07 0.00 2.58 0.00 0.00 58.73 61.52 3ity h TYR 207 Cb 0.25 -0.29 -0.03 0.00 1.55 0.00 0.00 36.73 38.21 3ity h TYR 207 CO 0.01 0.47 0.34 -0.22 -1.32 0.00 0.00 178.16 177.44 3ity h LYS 208 N 0.90 0.38 -0.49 1.82 3.64 -0.73 -0.50 116.57 121.59 3ity h LYS 208 Ca 0.33 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.69 3ity h LYS 208 Cb 0.11 -0.09 0.00 0.00 -0.41 0.00 0.00 32.23 31.84 3ity h LYS 208 CO -0.15 0.25 0.00 0.41 -2.27 0.00 0.00 179.45 177.69 3ity n GLY 209 N -1.52 1.56 3.71 5.01 0.00 -0.32 -4.92 105.19 108.72 3ity n GLY 209 Ca 0.07 -0.63 -0.41 0.00 0.00 0.00 0.00 46.02 45.05 3ity n GLY 209 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3ity s LEU 210 N -1.18 4.32 0.76 0.99 2.96 -0.20 -5.03 118.68 121.31 3ity s LEU 210 Ca 0.38 1.43 -0.15 0.00 -0.22 0.00 0.00 54.13 55.58 3ity s LEU 210 Cb 0.21 -3.36 0.04 0.00 0.50 0.00 0.00 46.19 43.58 3ity s LEU 210 CO 0.28 -0.23 1.09 -2.65 -1.32 0.00 0.00 176.35 173.51 3ity n PRO 211 N 4.06 0.40 0.00 0.98 -0.02 -1.26 -4.87 135.00 134.28 3ity n PRO 211 Ca 0.03 0.20 0.13 0.00 -2.02 0.00 0.00 63.50 61.84 3ity n PRO 211 Cb 0.51 -2.34 0.77 0.00 -0.02 0.00 0.00 33.50 32.41 3ity n PRO 211 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 3ity n ASP 212 N -2.42 0.00 -0.47 2.55 10.43 -1.26 -2.22 116.55 123.16 3ity n ASP 212 Ca 0.13 -0.84 0.07 0.00 2.57 0.00 0.00 54.79 56.72 3ity n ASP 212 Cb 0.50 0.00 0.16 0.00 1.84 0.00 0.00 41.12 43.62 3ity n ASP 212 CO 0.00 0.00 0.00 -0.90 -1.07 0.00 0.00 177.20 175.23 3ity n ASP 213 N -0.99 2.97 -4.57 -2.24 5.75 -1.26 -5.01 116.55 111.20 3ity n ASP 213 Ca 0.19 -2.66 -0.24 0.00 -0.01 0.00 0.00 54.79 52.07 3ity n ASP 213 Cb 0.09 -0.36 -0.09 0.00 -1.03 0.00 0.00 41.12 39.73 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 -2.17 2.47 0.16 2.11 0.52 -0.94 -4.86 118.94 116.23 3ity s TRP 214 Ca 0.29 -0.36 0.10 0.00 0.02 0.00 0.00 56.10 56.14 3ity s TRP 214 Cb 0.22 -1.24 -0.04 0.00 -1.15 0.00 0.00 33.47 31.26 3ity s TRP 214 CO 0.07 0.61 -0.22 0.15 0.02 0.00 0.00 176.95 177.57 3ity s LYS 215 N -3.62 1.35 -0.20 4.98 1.02 -0.85 -4.87 119.74 117.56 3ity s LYS 215 Ca 0.32 -1.39 -0.00 0.00 0.02 0.00 0.00 55.97 54.91 3ity s LYS 215 Cb -0.03 -1.63 0.01 0.00 -0.52 0.00 0.00 37.83 35.67 3ity s LYS 215 CO 0.18 0.36 -0.14 -1.17 -0.92 0.00 0.00 175.35 173.65 3ity s LEU 216 N -2.41 2.47 -0.15 3.17 2.96 0.54 -1.75 118.68 123.51 3ity s LEU 216 Ca 0.15 -0.62 -0.04 0.00 -0.22 0.00 0.00 54.13 53.40 3ity s LEU 216 Cb -0.08 -1.57 -0.03 0.00 0.50 0.00 0.00 46.19 45.01 3ity s LEU 216 CO 0.07 -0.02 -0.01 -0.36 -1.32 0.00 0.00 176.35 174.71 3ity s PHE 217 N 1.34 3.10 -0.05 5.38 0.08 0.24 -1.13 117.98 126.95 3ity s PHE 217 Ca 0.04 -0.12 0.01 0.00 0.12 0.00 0.00 56.93 56.99 3ity s PHE 217 Cb -0.14 -1.95 -0.03 0.00 -0.57 0.00 0.00 43.02 40.33 3ity s PHE 217 CO -0.09 0.11 -0.05 -1.54 -0.10 0.00 0.00 175.22 173.55 3ity s SER 218 N 0.10 4.77 -0.16 1.36 1.04 -0.85 0.15 113.70 120.10 3ity s SER 218 Ca 0.01 -0.03 0.01 0.00 0.48 0.00 0.00 55.95 56.42 3ity s SER 218 Cb -0.13 -1.20 0.02 0.00 0.10 0.00 0.00 66.02 64.81 3ity s SER 218 CO 0.02 0.34 -0.16 -0.70 0.98 0.00 0.00 173.24 173.72 3ity s GLU 219 N -1.04 2.53 0.49 4.02 2.12 -0.91 -1.25 118.70 124.67 3ity s GLU 219 Ca 0.14 -0.65 -0.11 0.00 0.36 0.00 0.00 54.97 54.71 3ity s GLU 219 Cb -0.11 -2.26 -0.06 0.00 0.26 0.00 0.00 34.13 31.96 3ity s GLU 219 CO 0.04 -0.23 0.88 -3.38 -0.54 0.00 0.00 175.26 172.03 3ity s HIS 220 N 1.42 3.52 -0.24 5.30 -3.43 -1.26 -4.70 115.29 115.90 3ity s HIS 220 Ca 0.05 1.14 -0.14 0.00 -0.80 0.00 0.00 55.06 55.32 3ity s HIS 220 Cb -0.13 -2.55 0.07 0.00 -1.43 0.00 0.00 32.58 28.54 3ity s HIS 220 CO -0.11 -0.33 0.59 0.21 -2.00 0.00 0.00 174.74 173.10 3ity s LYS 221 N -4.37 0.60 0.14 -0.38 2.20 -0.23 -4.76 119.74 112.94 3ity s LYS 221 Ca 0.53 1.08 -0.16 0.00 -0.36 0.00 0.00 55.97 57.06 3ity s LYS 221 Cb -0.10 0.08 0.00 0.00 -1.51 0.00 0.00 37.83 36.30 3ity s LYS 221 CO 0.39 -0.15 1.70 1.98 -0.36 0.00 0.00 175.35 178.91 3ity h MET 222 N 7.03 0.60 -2.84 4.03 1.85 -1.10 -3.34 114.93 121.17 3ity h MET 222 Ca -0.32 -0.10 0.08 0.00 -0.61 0.00 0.00 59.70 58.75 3ity h MET 222 Cb 1.21 -0.10 -0.07 0.00 0.43 0.00 0.00 31.60 33.07 3ity h MET 222 CO 0.21 0.54 0.29 1.52 -0.40 0.00 0.00 176.91 179.07 3ity s TYR 223 N -5.63 -0.23 0.02 1.39 1.13 -1.26 -4.50 117.35 108.27 3ity s TYR 223 Ca -0.13 -0.16 0.00 0.00 -1.41 0.00 0.00 57.07 55.37 3ity s TYR 223 Cb 0.10 0.67 0.00 0.00 -1.10 0.00 0.00 41.96 41.63 3ity s TYR 223 CO 0.75 -1.08 0.00 -1.91 -2.51 0.00 0.00 175.55 170.80 3ity n GLU 224 N -0.44 -0.59 0.09 -3.49 2.13 -1.26 -4.81 120.64 112.26 3ity n GLU 224 Ca -0.06 0.87 0.11 0.00 0.66 0.00 0.00 57.16 58.73 3ity n GLU 224 Cb 0.60 -0.55 0.44 0.00 0.27 0.00 0.00 31.44 32.20 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 0.20 0.14 -2.88 5.31 -0.04 -1.26 -4.97 135.00 131.50 3ity n PRO 225 Ca 0.00 0.35 -0.41 0.00 -0.04 0.00 0.00 63.50 63.40 3ity n PRO 225 Cb 0.00 -1.75 -0.04 0.00 -0.04 0.00 0.00 33.50 31.67 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 -3.20 3.28 -1.20 0.55 0.00 -1.26 -4.97 121.76 114.97 3ity s ALA 226 Ca 0.06 0.30 0.15 0.00 0.00 0.00 0.00 51.96 52.46 3ity s ALA 226 Cb 0.10 -3.15 0.44 0.00 0.00 0.00 0.00 23.12 20.51 3ity s ALA 226 CO 0.37 -0.22 1.37 1.19 0.00 0.00 0.00 175.76 178.47 3ity n PHE 227 N 4.01 0.70 0.04 0.00 3.72 -1.22 -4.54 117.46 120.17 3ity n PHE 227 Ca 0.03 -0.53 0.00 0.00 -0.05 0.00 0.00 57.45 56.90 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 0.82 -0.47 -4.01 1.38 9.36 -0.43 -4.93 117.16 118.89 3ity n TYR 228 Ca 0.17 0.08 -0.08 0.00 3.32 0.00 0.00 57.90 61.39 3ity n TYR 228 Cb 0.54 0.18 -0.11 0.00 -0.63 0.00 0.00 39.34 39.33 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 -5.36 0.30 -0.03 2.98 1.04 -0.53 -4.97 113.70 107.14 3ity s SER 229 Ca 0.00 -0.64 0.02 0.00 0.48 0.00 0.00 55.95 55.81 3ity s SER 229 Cb 0.00 0.14 0.01 0.00 0.10 0.00 0.00 66.02 66.26 3ity s SER 229 CO 0.00 -0.40 -0.08 -0.89 0.98 0.00 0.00 173.24 172.85 3ity s THR 230 N -2.24 0.73 0.09 2.02 2.01 -1.26 -0.22 115.64 116.77 3ity s THR 230 Ca -0.09 -0.32 -0.32 0.00 0.31 0.00 0.00 61.69 61.27 3ity s THR 230 Cb -0.04 -0.66 -0.15 0.00 0.01 0.00 0.00 72.50 71.66 3ity s THR 230 CO -0.04 0.24 1.61 0.58 -0.69 0.00 0.00 174.62 176.32 3ity h VAL 231 N 5.47 0.25 -2.88 3.82 2.07 -1.68 -3.04 116.25 120.25 3ity h VAL 231 Ca -0.33 0.00 -0.79 0.00 0.82 0.00 0.00 66.70 66.39 3ity h VAL 231 Cb 1.17 0.25 -0.26 0.00 -1.52 0.00 0.00 31.29 30.93 3ity h VAL 231 CO 0.49 0.00 0.87 0.52 0.02 0.00 0.00 177.57 179.47 3ity n VAL 232 N -5.48 4.90 0.09 2.57 0.31 -1.26 -4.82 118.33 114.64 3ity n VAL 232 Ca -0.11 -5.49 -0.14 0.00 -0.01 0.00 0.00 64.34 58.60 3ity n VAL 232 Cb 0.38 -2.31 -0.13 0.00 -0.91 0.00 0.00 33.84 30.87 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 5.99 0.20 -4.41 5.55 -0.00 -1.65 -0.58 115.11 120.22 3ity h GLN 233 Ca 0.23 -0.35 -0.36 0.00 -0.00 0.00 0.00 58.65 58.16 3ity h GLN 233 Cb 0.72 0.13 -0.09 0.00 -0.00 0.00 0.00 27.48 28.23 3ity h GLN 233 CO 1.26 1.17 -0.28 0.16 -0.00 0.00 0.00 178.83 181.14 3ity s ASP 234 N -7.04 1.31 0.53 0.06 1.47 -1.26 -2.24 116.67 109.50 3ity s ASP 234 Ca -0.03 -1.63 0.30 0.00 1.18 0.00 0.00 52.55 52.37 3ity s ASP 234 Cb 0.08 0.65 1.44 0.00 -0.34 0.00 0.00 42.92 44.75 3ity s ASP 234 CO 0.87 -1.26 2.04 4.11 0.68 0.00 0.00 175.17 181.61 3ity h TRP 235 N 2.08 0.00 -0.01 2.11 5.08 -1.95 -1.51 115.95 121.76 3ity h TRP 235 Ca -0.27 0.00 -0.00 0.00 1.08 0.00 0.00 58.89 59.70 3ity h TRP 235 Cb 1.24 0.00 -0.00 0.00 -3.00 0.00 0.00 29.16 27.40 3ity h TRP 235 CO 1.72 0.11 0.00 0.78 -1.28 0.00 0.00 178.44 179.77 3ity h GLY 236 N 1.21 0.01 1.05 11.11 0.00 -1.99 0.16 103.07 114.61 3ity h GLY 236 Ca -0.00 -0.01 -0.06 0.00 0.00 0.00 0.00 47.33 47.26 3ity h GLY 236 CO 0.01 0.01 0.22 -0.84 0.00 0.00 0.00 176.54 175.94 3ity h THR 237 N -0.29 1.26 -0.80 4.70 2.02 -1.89 -2.23 112.91 115.68 3ity h THR 237 Ca 0.00 -0.90 0.02 0.00 0.77 0.00 0.00 66.41 66.30 3ity h THR 237 Cb 0.31 0.49 -0.04 0.00 -1.74 0.00 0.00 68.15 67.16 3ity h THR 237 CO 0.00 0.35 0.52 -1.13 0.37 0.00 0.00 175.52 175.63 3ity h ASN 238 N 1.05 0.88 -0.52 4.18 -0.73 -1.08 -0.76 115.58 118.60 3ity h ASN 238 Ca 0.23 -0.01 -0.02 0.00 1.87 0.00 0.00 56.30 58.37 3ity h ASN 238 Cb 0.31 -0.21 -0.02 0.00 0.27 0.00 0.00 38.32 38.67 3ity h ASN 238 CO -0.01 0.62 0.25 0.22 -0.37 0.00 0.00 177.43 178.15 3ity h TYR 239 N 1.04 0.75 -0.95 0.67 3.20 -0.35 -1.31 116.97 120.03 3ity h TYR 239 Ca 0.31 -0.04 0.04 0.00 3.14 0.00 0.00 58.73 62.18 3ity h TYR 239 Cb -0.05 -0.23 -0.06 0.00 1.54 0.00 0.00 36.73 37.93 3ity h TYR 239 CO -0.02 0.59 0.61 -0.07 -1.64 0.00 0.00 178.16 177.63 3ity h LEU 240 N 0.70 1.01 0.73 2.82 3.38 -0.77 0.15 115.31 123.33 3ity h LEU 240 Ca 0.18 -0.00 -0.04 0.00 0.09 0.00 0.00 57.88 58.11 3ity h LEU 240 Cb 0.12 -0.22 0.01 0.00 0.09 0.00 0.00 40.66 40.65 3ity h LEU 240 CO -0.02 0.68 -0.35 0.40 0.09 0.00 0.00 178.44 179.24 3ity h ILE 241 N 1.17 0.25 -0.68 1.22 2.04 -0.67 -1.15 117.51 119.68 3ity h ILE 241 Ca 0.38 -0.10 0.04 0.00 1.00 0.00 0.00 64.86 66.19 3ity h ILE 241 Cb 0.04 0.27 -0.05 0.00 -0.74 0.00 0.00 36.82 36.35 3ity h ILE 241 CO -0.13 0.01 0.41 0.00 0.00 0.00 0.00 178.15 178.44 3ity h ALA 242 N -0.81 0.90 -0.72 1.87 0.00 -1.02 -0.29 119.26 119.19 3ity h ALA 242 Ca -0.10 -0.01 -0.05 0.00 0.00 0.00 0.00 54.91 54.75 3ity h ALA 242 Cb 0.76 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 18.33 3ity h ALA 242 CO 0.16 0.16 0.24 0.37 0.00 0.00 0.00 179.25 180.18 3ity h GLN 243 N 0.80 1.10 -0.29 0.00 5.75 -0.96 -2.71 115.11 118.80 3ity h GLN 243 Ca 0.28 -0.23 -0.10 0.00 -0.15 0.00 0.00 58.65 58.45 3ity h GLN 243 Cb 0.07 -0.16 -0.01 0.00 1.07 0.00 0.00 27.48 28.45 3ity h GLN 243 CO -0.13 0.94 -0.23 1.15 -2.65 0.00 0.00 178.83 177.91 3ity h THR 244 N 1.05 1.30 -0.21 2.39 2.02 -0.69 -3.34 112.91 115.43 3ity h THR 244 Ca 0.23 -1.38 -0.03 0.00 0.77 0.00 0.00 66.41 66.01 3ity h THR 244 Cb 0.29 1.56 -0.01 0.00 -1.74 0.00 0.00 68.15 68.25 3ity h THR 244 CO -0.01 0.44 0.02 -0.07 0.37 0.00 0.00 175.52 176.27 3ity h LEU 245 N 0.40 0.34 0.00 2.58 3.38 -0.98 -3.50 115.31 117.53 3ity h LEU 245 Ca 0.05 -0.27 0.00 0.00 0.09 0.00 0.00 57.88 57.75 3ity h LEU 245 Cb 0.78 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 41.44 3ity h LEU 245 CO 0.06 0.53 0.00 0.61 0.09 0.00 0.00 178.44 179.73 3ity n GLY 246 N -0.41 1.25 0.36 0.83 0.00 -1.03 -4.92 105.19 101.27 3ity n GLY 246 Ca -0.04 -1.69 0.18 0.00 0.00 0.00 0.00 46.02 44.46 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 0.03 -0.00 1.61 0.11 -1.91 -1.34 132.00 130.50 3ity h PRO 247 Ca 0.00 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.11 3ity h PRO 247 Cb 0.00 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 31.10 3ity h PRO 247 CO 0.00 0.02 -0.10 1.63 -0.21 0.00 0.00 178.00 179.34 3ity n LYS 248 N -4.41 0.54 -3.74 1.05 5.02 -1.26 -4.80 118.16 110.55 3ity n LYS 248 Ca 0.08 -0.15 -0.35 0.00 -2.02 0.00 0.00 58.31 55.86 3ity n LYS 248 Cb 0.50 -1.50 -0.08 0.00 -0.02 0.00 0.00 35.03 33.93 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 -2.56 3.65 0.25 7.82 0.00 -0.51 -0.34 121.76 130.07 3ity s ALA 249 Ca 0.27 -0.73 0.01 0.00 0.00 0.00 0.00 51.96 51.51 3ity s ALA 249 Cb 0.20 -2.18 -0.04 0.00 0.00 0.00 0.00 23.12 21.10 3ity s ALA 249 CO 0.49 0.10 0.16 -0.65 0.00 0.00 0.00 175.76 175.86 3ity s GLN 250 N 0.48 1.38 -0.03 0.00 -0.21 -0.28 -4.72 119.66 116.28 3ity s GLN 250 Ca 0.08 -1.76 -0.02 0.00 0.02 0.00 0.00 55.36 53.68 3ity s GLN 250 Cb -0.12 0.17 -0.04 0.00 1.00 0.00 0.00 33.01 34.03 3ity s GLN 250 CO -0.01 -0.44 0.08 0.00 -2.12 0.00 0.00 175.29 172.81 3ity s LEU 252 N -1.53 3.29 -0.29 0.00 1.43 -0.38 0.27 118.68 121.47 3ity s LEU 252 Ca 0.21 -0.05 -0.05 0.00 -1.03 0.00 0.00 54.13 53.21 3ity s LEU 252 Cb -0.12 -1.76 0.02 0.00 0.03 0.00 0.00 46.19 44.36 3ity s LEU 252 CO 0.11 0.26 0.05 -0.69 0.23 0.00 0.00 176.35 176.31 3ity s VAL 253 N -0.21 3.64 -0.28 -1.59 1.01 -0.66 -4.07 120.40 118.24 3ity s VAL 253 Ca 0.04 -0.86 -0.10 0.00 0.00 0.00 0.00 61.98 61.06 3ity s VAL 253 Cb -0.13 -2.90 -0.03 0.00 0.00 0.00 0.00 36.38 33.32 3ity s VAL 253 CO 0.02 0.07 0.15 -0.62 0.00 0.00 0.00 175.10 174.72 3ity s ASP 254 N 1.43 5.66 0.25 3.32 -1.08 -1.26 -0.05 116.67 124.94 3ity s ASP 254 Ca 0.01 -0.18 -0.10 0.00 -0.52 0.00 0.00 52.55 51.76 3ity s ASP 254 Cb -0.17 -2.04 0.38 0.00 -1.46 0.00 0.00 42.92 39.62 3ity s ASP 254 CO 0.01 -0.08 1.58 0.25 0.52 0.00 0.00 175.17 177.45 3ity h LEU 255 N 8.33 -0.82 -0.05 -1.34 6.46 -1.77 -1.19 115.31 124.93 3ity h LEU 255 Ca -0.35 0.26 0.00 0.00 -0.12 0.00 0.00 57.88 57.67 3ity h LEU 255 Cb 1.18 0.54 0.00 0.00 -0.73 0.00 0.00 40.66 41.65 3ity h LEU 255 CO 0.57 -0.29 0.00 0.61 -0.62 0.00 0.00 178.44 178.72 3ity n GLY 256 N -1.56 -0.94 1.78 3.75 0.00 -1.26 -4.08 105.19 102.88 3ity n GLY 256 Ca 0.13 -0.05 -0.05 0.00 0.00 0.00 0.00 46.02 46.05 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 -0.55 2.02 -4.50 1.61 8.25 -0.45 -3.21 115.22 118.38 3ity n HIS 257 Ca 0.05 -1.01 -0.25 0.00 -0.26 0.00 0.00 57.72 56.25 3ity n HIS 257 Cb 0.03 -0.59 -0.10 0.00 1.12 0.00 0.00 29.99 30.45 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 -2.51 2.36 0.81 4.41 3.76 -1.26 -2.43 115.29 120.43 3ity s HIS 258 Ca 0.45 -0.42 -0.11 0.00 -0.15 0.00 0.00 55.06 54.83 3ity s HIS 258 Cb 0.36 -1.20 0.08 0.00 1.11 0.00 0.00 32.58 32.92 3ity s HIS 258 CO 0.11 0.64 1.13 0.00 -0.85 0.00 0.00 174.74 175.77 3ity s ALA 259 N -2.56 1.98 0.27 -1.40 0.00 -1.26 -4.91 121.76 113.88 3ity s ALA 259 Ca 0.31 0.49 -0.30 0.00 0.00 0.00 0.00 51.96 52.46 3ity s ALA 259 Cb -0.01 -3.37 -0.13 0.00 0.00 0.00 0.00 23.12 19.61 3ity s ALA 259 CO 0.16 -2.09 1.32 -2.30 0.00 0.00 0.00 175.76 172.86 3ity n PRO 260 N -3.56 1.94 -0.92 0.00 -0.02 -1.26 -2.27 135.00 128.90 3ity n PRO 260 Ca 0.11 0.69 0.00 0.00 -2.02 0.00 0.00 63.50 62.27 3ity n PRO 260 Cb 0.52 -2.29 0.00 0.00 -0.02 0.00 0.00 33.50 31.72 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 1.68 -3.29 -4.70 2.55 3.02 -1.26 -4.98 115.26 108.28 3ity n ASN 261 Ca 0.10 0.00 -0.40 0.00 -0.03 0.00 0.00 54.58 54.25 3ity n ASN 261 Cb 0.32 -1.95 0.03 0.00 -0.61 0.00 0.00 39.78 37.57 3ity n ASN 261 CO 0.00 0.00 0.00 0.41 -2.62 0.00 0.00 177.26 175.05 3ity n THR 262 N -2.31 3.03 -3.04 3.41 -1.04 -0.96 -4.90 114.28 108.47 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 0.20 -1.53 -0.03 0.00 -1.82 0.00 0.00 70.33 67.15 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 -0.73 6.48 0.13 8.00 3.84 -1.26 -4.88 114.94 126.53 3ity s ASN 263 Ca 0.66 -1.88 -0.12 0.00 0.21 0.00 0.00 52.86 51.73 3ity s ASN 263 Cb -0.47 -2.34 -0.04 0.00 -0.55 0.00 0.00 41.25 37.85 3ity s ASN 263 CO 0.54 -1.03 1.49 0.40 -2.79 0.00 0.00 177.10 175.71 3ity h ILE 264 N 5.68 1.28 -0.12 -5.21 2.04 -1.98 -3.01 117.51 116.19 3ity h ILE 264 Ca -0.02 -1.41 0.03 0.00 1.00 0.00 0.00 64.86 64.46 3ity h ILE 264 Cb 1.05 1.32 -0.00 0.00 -0.74 0.00 0.00 36.82 38.44 3ity h ILE 264 CO 1.05 0.47 0.09 1.05 0.00 0.00 0.00 178.15 180.82 3ity h GLU 265 N 0.68 0.00 -0.25 2.37 9.09 -1.90 -0.72 114.58 123.85 3ity h GLU 265 Ca 0.08 0.00 -0.18 0.00 0.05 0.00 0.00 59.36 59.32 3ity h GLU 265 Cb 0.83 0.00 -0.00 0.00 -1.65 0.00 0.00 28.75 27.92 3ity h GLU 265 CO 0.07 0.00 -0.54 1.98 0.05 0.00 0.00 179.01 180.57 3ity h MET 266 N 0.00 0.75 -0.75 1.06 4.05 -1.93 -1.95 114.93 116.17 3ity h MET 266 Ca 0.06 -0.47 0.01 0.00 -0.28 0.00 0.00 59.70 59.01 3ity h MET 266 Cb 0.24 0.05 -0.04 0.00 -0.80 0.00 0.00 31.60 31.06 3ity h MET 266 CO -0.00 1.10 0.49 0.82 0.23 0.00 0.00 176.91 179.55 3ity h ILE 267 N 0.58 1.19 -0.23 1.77 2.04 -1.14 0.09 117.51 121.81 3ity h ILE 267 Ca 0.01 -0.36 0.02 0.00 1.00 0.00 0.00 64.86 65.54 3ity h ILE 267 Cb 1.12 0.10 -0.02 0.00 -0.74 0.00 0.00 36.82 37.28 3ity h ILE 267 CO 0.11 0.19 0.09 0.58 0.00 0.00 0.00 178.15 179.12 3ity h VAL 268 N 1.01 0.96 -0.66 1.67 2.07 -1.17 -1.23 116.25 118.89 3ity h VAL 268 Ca 0.27 -0.07 -0.01 0.00 0.82 0.00 0.00 66.70 67.71 3ity h VAL 268 Cb -0.11 0.73 -0.03 0.00 -1.52 0.00 0.00 31.29 30.36 3ity h VAL 268 CO -0.06 0.04 0.37 0.00 0.02 0.00 0.00 177.57 177.94 3ity h ALA 269 N 1.14 0.85 -0.41 1.67 0.00 -0.82 -1.93 119.26 119.77 3ity h ALA 269 Ca 0.10 -0.11 -0.01 0.00 0.00 0.00 0.00 54.91 54.89 3ity h ALA 269 Cb 0.06 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.56 3ity h ALA 269 CO -0.09 0.36 0.20 0.00 0.00 0.00 0.00 179.25 179.72 3ity h ARG 270 N 0.91 0.58 -0.43 0.00 2.47 -0.61 -0.95 114.38 116.35 3ity h ARG 270 Ca 0.23 -0.08 -0.08 0.00 -1.26 0.00 0.00 59.98 58.79 3ity h ARG 270 Cb 0.04 -0.11 -0.02 0.00 -1.65 0.00 0.00 29.97 28.23 3ity h ARG 270 CO -0.04 0.50 -0.06 -0.07 0.56 0.00 0.00 179.97 180.87 3ity h LEU 271 N 0.52 0.71 -0.17 3.04 3.38 -1.09 -2.46 115.31 119.24 3ity h LEU 271 Ca 0.14 -0.18 -0.02 0.00 0.09 0.00 0.00 57.88 57.91 3ity h LEU 271 Cb 0.11 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.66 3ity h LEU 271 CO -0.02 0.81 0.04 0.40 0.09 0.00 0.00 178.44 179.77 3ity h ILE 272 N 0.68 1.20 -0.91 1.22 2.04 -1.09 0.16 117.51 120.80 3ity h ILE 272 Ca 0.13 -0.63 0.13 0.00 1.00 0.00 0.00 64.86 65.49 3ity h ILE 272 Cb 0.50 1.29 -0.07 0.00 -0.74 0.00 0.00 36.82 37.80 3ity h ILE 272 CO 0.03 0.19 0.58 -0.61 0.00 0.00 0.00 178.15 178.34 3ity h GLN 273 N 0.09 0.75 -0.64 2.37 4.15 -0.92 -0.52 115.11 120.39 3ity h GLN 273 Ca 0.05 -0.05 0.00 0.00 0.77 0.00 0.00 58.65 59.43 3ity h GLN 273 Cb 0.26 -0.17 0.00 0.00 0.21 0.00 0.00 27.48 27.78 3ity h GLN 273 CO 0.00 0.50 0.00 1.19 -1.93 0.00 0.00 178.83 178.59 3ity n PHE 274 N -4.57 1.64 -2.50 3.99 3.72 -0.95 -4.95 117.46 113.84 3ity n PHE 274 Ca 0.17 -0.61 -0.20 0.00 -0.05 0.00 0.00 57.45 56.77 3ity n PHE 274 Cb 0.42 -0.34 -0.00 0.00 -0.94 0.00 0.00 39.48 38.62 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 0.90 -0.50 0.07 1.37 0.00 -0.21 -4.90 105.19 101.93 3ity n GLY 275 Ca 0.25 0.02 0.09 0.00 0.00 0.00 0.00 46.02 46.38 3ity n GLY 275 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3ity n LYS 276 N -3.11 1.50 -2.93 1.61 4.76 0.47 -4.93 118.16 115.52 3ity n LYS 276 Ca -0.21 -2.46 -0.43 0.00 -2.87 0.00 0.00 58.31 52.34 3ity n LYS 276 Cb 0.66 -1.45 -0.04 0.00 -1.84 0.00 0.00 35.03 32.37 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 -2.66 4.62 0.12 -0.35 2.96 -1.17 -0.23 118.68 121.98 3ity s LEU 277 Ca 0.28 -1.03 -0.02 0.00 -0.22 0.00 0.00 54.13 53.14 3ity s LEU 277 Cb 0.25 -2.43 -0.13 0.00 0.50 0.00 0.00 46.19 44.38 3ity s LEU 277 CO 0.03 -1.32 1.28 1.23 -1.32 0.00 0.00 176.35 176.25 3ity h GLY 278 N 10.91 0.34 0.00 7.98 0.00 -0.47 -3.44 103.07 118.38 3ity h GLY 278 Ca -0.29 -0.67 0.00 0.00 0.00 0.00 0.00 47.33 46.38 3ity h GLY 278 CO 1.14 0.59 0.00 0.61 0.00 0.00 0.00 176.54 178.88 3ity n GLY 279 N 1.10 0.04 3.16 4.60 0.00 -1.15 -0.76 105.19 112.18 3ity n GLY 279 Ca -0.06 -0.96 -0.27 0.00 0.00 0.00 0.00 46.02 44.73 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 1.90 -0.30 1.61 2.19 -1.25 -1.65 117.98 118.47 3ity s PHE 280 Ca 0.00 -0.56 -0.09 0.00 0.33 0.00 0.00 56.93 56.61 3ity s PHE 280 Cb 0.00 -1.27 -0.01 0.00 -1.31 0.00 0.00 43.02 40.43 3ity s PHE 280 CO 0.00 -0.19 0.14 -1.01 1.83 0.00 0.00 175.22 175.99 3ity s HIS 281 N 0.02 3.16 0.19 10.12 3.76 0.93 -2.14 115.29 131.32 3ity s HIS 281 Ca -0.04 -0.57 -0.19 0.00 -0.15 0.00 0.00 55.06 54.11 3ity s HIS 281 Cb -0.12 -2.33 -0.08 0.00 1.11 0.00 0.00 32.58 31.16 3ity s HIS 281 CO 0.03 -0.44 0.68 -0.06 -0.85 0.00 0.00 174.74 174.09 3ity s PHE 282 N 1.61 3.68 0.00 1.40 0.08 0.55 -2.32 117.98 122.97 3ity s PHE 282 Ca 0.05 1.33 0.00 0.00 0.12 0.00 0.00 56.93 58.43 3ity s PHE 282 Cb -0.17 -2.57 0.00 0.00 -0.57 0.00 0.00 43.02 39.71 3ity s PHE 282 CO 0.06 0.40 0.00 0.27 -0.10 0.00 0.00 175.22 175.84 3ity n ASN 283 N 0.92 0.00 -4.36 1.36 0.23 -1.26 -1.25 115.26 110.89 3ity n ASN 283 Ca -0.04 0.00 -0.18 0.00 -0.53 0.00 0.00 54.58 53.83 3ity n ASN 283 Cb 0.51 0.00 -0.10 0.00 -2.08 0.00 0.00 39.78 38.11 3ity n ASN 283 CO 0.00 0.00 0.00 -0.62 -0.93 0.00 0.00 177.26 175.71 3ity s ASP 284 N 0.00 1.84 0.09 0.53 -1.08 0.18 -4.56 116.67 113.66 3ity s ASP 284 Ca 0.00 -1.31 -0.25 0.00 -0.52 0.00 0.00 52.55 50.47 3ity s ASP 284 Cb 0.00 0.02 0.08 0.00 -1.46 0.00 0.00 42.92 41.56 3ity s ASP 284 CO 0.00 -0.59 0.72 -0.94 0.52 0.00 0.00 175.17 174.87 3ity s SER 285 N -3.36 -0.49 0.00 -0.34 1.04 -1.26 -1.57 113.70 107.72 3ity s SER 285 Ca 0.33 0.02 0.00 0.00 0.48 0.00 0.00 55.95 56.78 3ity s SER 285 Cb 0.07 0.51 0.00 0.00 0.10 0.00 0.00 66.02 66.70 3ity s SER 285 CO 0.12 -0.82 0.00 1.17 0.98 0.00 0.00 173.24 174.69 3ity n LYS 286 N -0.29 1.75 -0.06 4.02 4.81 -1.26 -4.77 118.16 122.36 3ity n LYS 286 Ca -0.14 0.00 -0.13 0.00 -0.87 0.00 0.00 58.31 57.18 3ity n LYS 286 Cb 0.64 -0.85 -0.05 0.00 0.02 0.00 0.00 35.03 34.78 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 -1.81 0.00 0.00 5.64 4.01 -1.26 -5.09 117.16 118.65 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 0.35 -0.45 0.00 0.00 -0.31 0.00 0.00 39.34 38.93 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 2.32 4.02 3.00 2.72 0.00 -1.26 -4.92 105.19 111.08 3ity n GLY 288 Ca -0.24 -0.30 -0.43 0.00 0.00 0.00 0.00 46.02 45.05 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 5.00 0.25 1.61 2.03 -1.20 -4.70 116.55 119.55 3ity n ASP 289 Ca 0.00 -3.05 0.14 0.00 0.52 0.00 0.00 54.79 52.39 3ity n ASP 289 Cb 0.00 -1.52 0.58 0.00 -0.72 0.00 0.00 41.12 39.45 3ity n ASP 289 CO 0.00 0.00 0.00 0.44 -1.92 0.00 0.00 177.20 175.72 3ity h ASP 290 N 6.12 0.00 -6.10 1.67 3.32 -1.83 -3.47 116.42 116.12 3ity h ASP 290 Ca 0.40 0.00 -0.46 0.00 0.02 0.00 0.00 57.03 56.99 3ity h ASP 290 Cb 0.69 0.00 -0.03 0.00 0.22 0.00 0.00 39.33 40.21 3ity h ASP 290 CO 1.56 0.11 -0.73 0.47 -1.72 0.00 0.00 179.24 178.94 3ity n ASP 291 N -3.26 -4.91 -4.92 6.45 8.00 -1.24 -4.76 116.55 111.92 3ity n ASP 291 Ca 0.00 -0.70 -0.27 0.00 0.71 0.00 0.00 54.79 54.53 3ity n ASP 291 Cb 0.36 -3.92 0.08 0.00 -0.02 0.00 0.00 41.12 37.61 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 -7.19 2.71 0.09 0.64 1.43 -0.61 -0.96 118.68 114.79 3ity s LEU 292 Ca 0.62 0.60 -0.34 0.00 -1.03 0.00 0.00 54.13 53.99 3ity s LEU 292 Cb -0.31 -3.20 -0.13 0.00 0.03 0.00 0.00 46.19 42.58 3ity s LEU 292 CO 0.77 -1.70 1.67 0.47 0.23 0.00 0.00 176.35 177.80 3ity n ASP 293 N -3.07 3.24 -4.60 2.29 9.92 -1.26 -0.65 116.55 122.42 3ity n ASP 293 Ca 0.08 1.05 -0.49 0.00 -0.53 0.00 0.00 54.79 54.89 3ity n ASP 293 Cb 0.61 -1.42 -0.05 0.00 -0.64 0.00 0.00 41.12 39.62 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 4.42 -0.39 -0.87 2.24 0.00 -1.26 -1.37 120.51 123.27 3ity n ALA 294 Ca 0.19 0.48 0.00 0.00 0.00 0.00 0.00 53.44 54.10 3ity n ALA 294 Cb 0.29 -2.11 0.00 0.00 0.00 0.00 0.00 19.45 17.63 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 2.38 0.74 0.25 0.00 0.00 -1.26 -4.76 105.19 102.54 3ity n GLY 295 Ca 0.16 0.00 0.15 0.00 0.00 0.00 0.00 46.02 46.33 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 -1.59 -3.30 119.26 119.98 3ity h ALA 296 Ca 0.00 0.00 -0.16 0.00 0.00 0.00 0.00 54.91 54.75 3ity h ALA 296 Cb 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 17.77 3ity h ALA 296 CO 0.00 0.00 -1.50 -0.89 0.00 0.00 0.00 179.25 176.86 3ity n ILE 297 N -3.06 0.59 -3.58 0.00 2.08 -1.26 -4.92 119.36 109.21 3ity n ILE 297 Ca 0.02 -0.12 -0.27 0.00 0.56 0.00 0.00 62.75 62.94 3ity n ILE 297 Cb 0.40 -1.65 -0.11 0.00 -0.75 0.00 0.00 39.64 37.53 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 -3.47 0.95 0.24 0.38 1.02 -1.26 -4.97 120.64 113.53 3ity n GLU 298 Ca -0.19 -3.75 0.07 0.00 -0.02 0.00 0.00 57.16 53.27 3ity n GLU 298 Cb 0.62 -1.91 0.58 0.00 -0.02 0.00 0.00 31.44 30.71 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 5.38 0.00 -0.44 3.49 0.13 -1.92 -2.76 132.00 135.88 3ity h PRO 299 Ca 0.21 0.00 -0.15 0.00 -0.87 0.00 0.00 66.00 65.19 3ity h PRO 299 Cb 0.84 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.96 3ity h PRO 299 CO 0.53 0.10 -0.29 -0.92 -0.23 0.00 0.00 178.00 177.19 3ity h TYR 300 N 0.00 1.15 -0.93 1.56 3.20 -1.93 -2.09 116.97 117.93 3ity h TYR 300 Ca -0.00 -0.31 0.01 0.00 3.14 0.00 0.00 58.73 61.57 3ity h TYR 300 Cb 0.19 -0.26 -0.05 0.00 1.54 0.00 0.00 36.73 38.16 3ity h TYR 300 CO 0.00 1.14 0.62 -0.09 -1.64 0.00 0.00 178.16 178.19 3ity h ARG 301 N 0.82 1.21 -0.44 1.82 2.43 -1.92 0.16 114.38 118.47 3ity h ARG 301 Ca 0.09 -0.07 0.00 0.00 -0.81 0.00 0.00 59.98 59.19 3ity h ARG 301 Cb 0.88 -0.27 -0.02 0.00 -0.42 0.00 0.00 29.97 30.13 3ity h ARG 301 CO 0.08 0.80 0.29 1.25 -1.51 0.00 0.00 179.97 180.88 3ity h LEU 302 N 1.25 0.50 -0.73 3.80 5.85 -1.37 -0.73 115.31 123.88 3ity h LEU 302 Ca 0.35 -0.02 0.01 0.00 0.84 0.00 0.00 57.88 59.06 3ity h LEU 302 Cb -0.13 -0.13 -0.04 0.00 0.37 0.00 0.00 40.66 40.74 3ity h LEU 302 CO -0.08 0.37 0.48 0.15 -0.34 0.00 0.00 178.44 179.02 3ity h PHE 303 N 0.59 0.92 -0.38 1.25 3.57 -0.62 -1.79 116.94 120.49 3ity h PHE 303 Ca 0.16 0.02 -0.05 0.00 3.53 0.00 0.00 57.97 61.63 3ity h PHE 303 Cb -0.06 -0.31 -0.02 0.00 2.79 0.00 0.00 35.95 38.35 3ity h PHE 303 CO -0.04 0.58 0.03 -0.07 -2.23 0.00 0.00 178.31 176.57 3ity h LEU 304 N 0.99 0.54 -0.37 0.59 3.38 -0.02 0.23 115.31 120.66 3ity h LEU 304 Ca 0.27 -0.10 -0.04 0.00 0.09 0.00 0.00 57.88 58.10 3ity h LEU 304 Cb -0.12 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 40.48 3ity h LEU 304 CO -0.06 0.59 0.09 0.58 0.09 0.00 0.00 178.44 179.73 3ity h VAL 305 N 0.56 1.23 0.00 1.22 2.07 -0.63 -2.45 116.25 118.24 3ity h VAL 305 Ca 0.12 -0.78 -0.07 0.00 0.82 0.00 0.00 66.70 66.80 3ity h VAL 305 Cb 0.32 1.02 -0.01 0.00 -1.52 0.00 0.00 31.29 31.10 3ity h VAL 305 CO 0.01 0.27 -0.32 -0.26 0.02 0.00 0.00 177.57 177.28 3ity h PHE 306 N 0.46 0.00 -0.87 1.57 0.04 -0.60 -2.21 116.94 115.32 3ity h PHE 306 Ca 0.12 0.00 -0.01 0.00 2.80 0.00 0.00 57.97 60.88 3ity h PHE 306 Cb 0.31 0.00 -0.04 0.00 2.20 0.00 0.00 35.95 38.42 3ity h PHE 306 CO 0.02 0.32 0.51 -0.97 -0.60 0.00 0.00 178.31 177.59 3ity h ASN 307 N 0.00 1.06 -0.08 2.17 -1.24 -0.10 0.11 115.58 117.50 3ity h ASN 307 Ca -0.00 -0.07 -0.16 0.00 0.71 0.00 0.00 56.30 56.78 3ity h ASN 307 Cb 0.61 -0.27 -0.01 0.00 0.73 0.00 0.00 38.32 39.39 3ity h ASN 307 CO 0.04 0.82 -0.50 -0.33 -1.29 0.00 0.00 177.43 176.18 3ity h GLU 308 N 1.21 0.64 -0.39 6.67 4.39 -1.09 -0.21 114.58 125.80 3ity h GLU 308 Ca 0.31 -0.38 -0.06 0.00 0.34 0.00 0.00 59.36 59.58 3ity h GLU 308 Cb -0.03 0.03 -0.01 0.00 -0.10 0.00 0.00 28.75 28.64 3ity h GLU 308 CO -0.06 0.99 0.02 -0.07 -1.16 0.00 0.00 179.01 178.73 3ity h LEU 309 N 0.51 0.65 -0.66 1.33 3.38 -0.90 -2.18 115.31 117.45 3ity h LEU 309 Ca 0.02 -0.30 -0.14 0.00 0.09 0.00 0.00 57.88 57.55 3ity h LEU 309 Cb 1.04 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 41.61 3ity h LEU 309 CO 0.10 0.79 -0.51 0.58 0.09 0.00 0.00 178.44 179.49 3ity h VAL 310 N 0.50 1.33 -0.18 1.22 2.07 -0.76 -2.97 116.25 117.47 3ity h VAL 310 Ca 0.11 -1.75 -0.06 0.00 0.82 0.00 0.00 66.70 65.82 3ity h VAL 310 Cb 0.44 1.77 -0.01 0.00 -1.52 0.00 0.00 31.29 31.97 3ity h VAL 310 CO 0.02 0.53 -0.17 -0.78 0.02 0.00 0.00 177.57 177.20 3ity h ASP 311 N 0.33 0.29 -0.85 0.57 3.58 -0.89 -1.80 116.42 117.65 3ity h ASP 311 Ca 0.01 -0.07 0.04 0.00 0.42 0.00 0.00 57.03 57.43 3ity h ASP 311 Cb 1.01 -0.08 -0.05 0.00 1.72 0.00 0.00 39.33 41.93 3ity h ASP 311 CO 0.09 0.48 0.54 0.00 -2.88 0.00 0.00 179.24 177.47 3ity h ALA 312 N 1.55 1.13 -0.26 -0.78 0.00 -1.22 0.37 119.26 120.04 3ity h ALA 312 Ca 0.05 -0.03 -0.06 0.00 0.00 0.00 0.00 54.91 54.87 3ity h ALA 312 Cb 0.46 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.97 3ity h ALA 312 CO 0.03 0.35 -0.09 1.49 0.00 0.00 0.00 179.25 181.03 3ity h GLU 313 N 1.03 0.52 -0.63 0.00 4.81 -1.46 -0.47 114.58 118.38 3ity h GLU 313 Ca 0.35 -0.21 0.04 0.00 -0.13 0.00 0.00 59.36 59.40 3ity h GLU 313 Cb 0.05 -0.02 -0.04 0.00 0.63 0.00 0.00 28.75 29.37 3ity h GLU 313 CO -0.13 0.75 0.42 0.00 -0.73 0.00 0.00 179.01 179.32 3ity h ALA 314 N 0.75 1.69 0.00 2.92 0.00 -0.47 0.49 119.26 124.65 3ity h ALA 314 Ca 0.06 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.94 3ity h ALA 314 Cb 0.58 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 18.17 3ity h ALA 314 CO 0.03 0.24 0.00 0.54 0.00 0.00 0.00 179.25 180.06 3ity n ARG 315 N -4.47 0.06 -1.10 0.00 1.74 0.12 -4.90 116.66 108.11 3ity n ARG 315 Ca 0.08 0.04 0.00 0.00 -0.77 0.00 0.00 57.85 57.20 3ity n ARG 315 Cb 0.16 -1.50 0.00 0.00 -1.02 0.00 0.00 32.46 30.10 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 1.23 0.65 3.74 -0.13 0.00 0.16 -5.02 105.19 105.82 3ity n GLY 316 Ca 0.07 -0.75 -0.42 0.00 0.00 0.00 0.00 46.02 44.93 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 -2.00 2.37 0.13 1.61 1.01 -0.21 -4.99 120.40 118.32 3ity s VAL 317 Ca 0.00 0.29 0.03 0.00 0.00 0.00 0.00 61.98 62.30 3ity s VAL 317 Cb 0.00 -3.19 -0.04 0.00 0.00 0.00 0.00 36.38 33.16 3ity s VAL 317 CO 0.00 0.04 0.20 -0.54 0.00 0.00 0.00 175.10 174.80 3ity s LYS 318 N 0.16 3.20 -1.47 2.72 -0.14 -1.26 -4.50 119.74 118.45 3ity s LYS 318 Ca 0.65 -0.66 0.00 0.00 -1.36 0.00 0.00 55.97 54.60 3ity s LYS 318 Cb -0.45 -2.85 0.00 0.00 -1.68 0.00 0.00 37.83 32.84 3ity s LYS 318 CO 0.40 0.53 0.00 0.41 -0.76 0.00 0.00 175.35 175.94 3ity n GLY 319 N -0.19 1.29 3.41 -3.33 0.00 -1.26 -4.97 105.19 100.14 3ity n GLY 319 Ca -0.07 -0.35 -0.44 0.00 0.00 0.00 0.00 46.02 45.16 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 -2.55 2.98 -0.45 1.61 5.36 -1.26 -4.94 117.98 118.73 3ity s PHE 320 Ca 0.00 -0.76 0.06 0.00 -0.96 0.00 0.00 56.93 55.27 3ity s PHE 320 Cb 0.00 -3.89 0.21 0.00 -0.34 0.00 0.00 43.02 39.00 3ity s PHE 320 CO 0.00 -1.25 0.48 0.72 -1.46 0.00 0.00 175.22 173.71 3ity n HIS 321 N 6.44 0.12 -1.69 10.12 8.25 -1.26 -5.10 115.22 132.10 3ity n HIS 321 Ca -0.08 -3.59 -0.41 0.00 -0.26 0.00 0.00 57.72 53.39 3ity n HIS 321 Cb 0.44 -0.17 0.02 0.00 1.12 0.00 0.00 29.99 31.39 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 1.91 1.80 -3.39 -0.41 -0.02 -1.26 -4.95 135.00 128.68 3ity n PRO 322 Ca 0.25 0.65 -0.45 0.00 -2.02 0.00 0.00 63.50 61.92 3ity n PRO 322 Cb 0.49 -2.36 -0.03 0.00 -0.02 0.00 0.00 33.50 31.58 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 4.13 0.29 3.55 0.00 0.06 -4.94 121.76 123.62 3ity s ALA 323 Ca 0.63 -3.42 -0.24 0.00 0.00 0.00 0.00 51.96 48.93 3ity s ALA 323 Cb -0.50 -3.41 -0.09 0.00 0.00 0.00 0.00 23.12 19.12 3ity s ALA 323 CO 0.56 -2.25 0.88 -1.01 0.00 0.00 0.00 175.76 173.95 3ity s HIS 324 N -0.13 3.70 -0.01 0.00 3.76 -1.26 -3.95 115.29 117.40 3ity s HIS 324 Ca 0.20 1.68 -0.16 0.00 -0.15 0.00 0.00 55.06 56.63 3ity s HIS 324 Cb -0.11 -2.84 0.03 0.00 1.11 0.00 0.00 32.58 30.77 3ity s HIS 324 CO -0.08 0.26 0.34 1.41 -0.85 0.00 0.00 174.74 175.82 3ity s MET 325 N -1.97 0.72 -0.06 1.40 1.75 -0.91 -1.75 119.30 118.47 3ity s MET 325 Ca 0.47 -0.20 -0.16 0.00 -1.25 0.00 0.00 55.69 54.54 3ity s MET 325 Cb -0.19 0.32 -0.05 0.00 2.84 0.00 0.00 34.83 37.75 3ity s MET 325 CO 0.23 -0.21 0.44 0.42 -0.65 0.00 0.00 175.02 175.25 3ity s ILE 326 N -1.49 5.11 -0.31 10.11 1.01 -0.12 -0.33 121.20 135.18 3ity s ILE 326 Ca -0.12 0.88 -0.02 0.00 0.00 0.00 0.00 60.65 61.39 3ity s ILE 326 Cb -0.04 -3.76 0.10 0.00 0.01 0.00 0.00 42.46 38.77 3ity s ILE 326 CO 0.04 0.45 0.12 -0.62 0.00 0.00 0.00 174.94 174.92 3ity s ASP 327 N -0.18 3.78 0.12 3.58 -1.08 -0.38 -3.71 116.67 118.80 3ity s ASP 327 Ca 0.24 -1.53 -0.00 0.00 -0.52 0.00 0.00 52.55 50.74 3ity s ASP 327 Cb -0.16 -0.63 -0.04 0.00 -1.46 0.00 0.00 42.92 40.63 3ity s ASP 327 CO 0.11 -0.42 0.02 -1.10 0.52 0.00 0.00 175.17 174.30 3ity s GLN 328 N 1.77 0.88 -0.12 4.34 -0.21 -1.26 -4.51 119.66 120.56 3ity s GLN 328 Ca 0.10 -1.40 0.02 0.00 0.02 0.00 0.00 55.36 54.10 3ity s GLN 328 Cb -0.17 0.12 0.01 0.00 1.00 0.00 0.00 33.01 33.97 3ity s GLN 328 CO -0.29 -0.19 -0.17 0.45 -2.12 0.00 0.00 175.29 172.97 3ity s SER 329 N -3.04 2.62 -0.51 5.90 0.15 -0.13 -4.64 113.70 114.04 3ity s SER 329 Ca 0.19 -0.48 -0.07 0.00 0.70 0.00 0.00 55.95 56.30 3ity s SER 329 Cb 0.07 -1.19 0.13 0.00 -1.71 0.00 0.00 66.02 63.33 3ity s SER 329 CO -0.01 0.04 0.36 -1.00 1.20 0.00 0.00 173.24 173.83 3ity s HIS 330 N 0.92 3.49 -0.14 3.44 0.09 -1.26 -4.62 115.29 117.21 3ity s HIS 330 Ca -0.07 -2.17 0.19 0.00 -0.00 0.00 0.00 55.06 53.01 3ity s HIS 330 Cb -0.15 -3.41 -0.14 0.00 -0.00 0.00 0.00 32.58 28.88 3ity s HIS 330 CO -0.01 -0.96 0.78 0.09 -0.00 0.00 0.00 174.74 174.63 3ity n ASN 331 N 4.50 0.71 -0.73 1.40 3.02 -1.26 -1.01 115.26 121.88 3ity n ASN 331 Ca -0.02 0.30 0.04 0.00 -0.03 0.00 0.00 54.58 54.87 3ity n ASN 331 Cb 0.41 0.47 0.07 0.00 -0.61 0.00 0.00 39.78 40.12 3ity n ASN 331 CO 0.00 0.00 0.00 1.33 -2.62 0.00 0.00 177.26 175.97 3ity n VAL 332 N -2.77 0.76 -4.12 2.41 0.24 -1.26 -4.73 118.33 108.86 3ity n VAL 332 Ca -0.09 -1.32 -0.12 0.00 -2.04 0.00 0.00 64.34 60.77 3ity n VAL 332 Cb 0.77 0.37 -0.07 0.00 -1.47 0.00 0.00 33.84 33.44 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 -1.14 0.00 -0.21 3.34 -4.23 -1.26 -5.10 115.64 107.05 3ity s THR 333 Ca 0.23 -1.75 -0.29 0.00 -1.18 0.00 0.00 61.69 58.70 3ity s THR 333 Cb 0.24 -2.43 -0.02 0.00 1.34 0.00 0.00 72.50 71.63 3ity s THR 333 CO -0.06 0.00 1.44 -0.62 -0.54 0.00 0.00 174.62 174.84 3ity s ASP 334 N -3.14 6.65 0.30 3.99 -1.08 -1.26 -4.89 116.67 117.24 3ity s ASP 334 Ca 0.32 1.61 0.06 0.00 -0.52 0.00 0.00 52.55 54.02 3ity s ASP 334 Cb 0.03 -2.54 0.77 0.00 -1.46 0.00 0.00 42.92 39.73 3ity s ASP 334 CO 0.14 -1.03 1.72 -0.65 0.52 0.00 0.00 175.17 175.86 3ity h PRO 335 N 9.50 0.48 -0.45 4.34 0.11 -1.87 -0.97 132.00 143.14 3ity h PRO 335 Ca -0.30 -0.03 -0.03 0.00 0.11 0.00 0.00 66.00 65.75 3ity h PRO 335 Cb 1.13 -0.11 -0.02 0.00 0.11 0.00 0.00 31.00 32.11 3ity h PRO 335 CO 1.00 0.32 0.17 0.82 -0.21 0.00 0.00 178.00 180.10 3ity h ILE 336 N 0.50 1.21 -0.62 4.15 2.04 -1.86 -1.21 117.51 121.72 3ity h ILE 336 Ca 0.58 -0.64 -0.05 0.00 1.00 0.00 0.00 64.86 65.75 3ity h ILE 336 Cb 1.09 0.79 -0.03 0.00 -0.74 0.00 0.00 36.82 37.93 3ity h ILE 336 CO -0.49 0.24 0.19 -0.33 0.00 0.00 0.00 178.15 177.76 3ity h GLU 337 N 0.58 0.96 -0.36 2.37 5.08 -1.61 -1.22 114.58 120.39 3ity h GLU 337 Ca 0.15 -0.21 -0.02 0.00 -1.00 0.00 0.00 59.36 58.28 3ity h GLU 337 Cb 0.20 -0.14 -0.02 0.00 0.50 0.00 0.00 28.75 29.30 3ity h GLU 337 CO -0.01 0.86 0.14 0.77 -1.00 0.00 0.00 179.01 179.76 3ity h SER 338 N 0.89 0.50 -0.40 1.42 0.02 -1.14 -1.27 113.55 113.57 3ity h SER 338 Ca 0.20 -0.17 -0.04 0.00 -0.84 0.00 0.00 61.79 60.93 3ity h SER 338 Cb 0.30 -0.13 -0.02 0.00 0.14 0.00 0.00 62.40 62.68 3ity h SER 338 CO -0.01 0.53 0.11 -0.07 -1.14 0.00 0.00 176.83 176.25 3ity h LEU 339 N 0.43 0.65 0.41 5.07 3.38 -1.07 0.12 115.31 124.31 3ity h LEU 339 Ca 0.12 -0.11 -0.02 0.00 0.09 0.00 0.00 57.88 57.96 3ity h LEU 339 Cb 0.19 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 40.78 3ity h LEU 339 CO -0.01 0.66 -0.20 0.40 0.09 0.00 0.00 178.44 179.38 3ity h ILE 340 N 0.69 0.59 0.00 1.22 2.04 -0.89 -0.40 117.51 120.76 3ity h ILE 340 Ca 0.15 -0.19 -0.03 0.00 1.00 0.00 0.00 64.86 65.79 3ity h ILE 340 Cb 0.27 0.69 -0.00 0.00 -0.74 0.00 0.00 36.82 37.04 3ity h ILE 340 CO -0.00 0.04 -0.14 0.78 0.00 0.00 0.00 178.15 178.82 3ity h ASN 341 N -0.66 0.00 -0.02 1.72 2.35 -0.99 -1.25 115.58 116.73 3ity h ASN 341 Ca -0.06 0.00 -0.16 0.00 -0.55 0.00 0.00 56.30 55.54 3ity h ASN 341 Cb 0.48 0.00 0.01 0.00 0.05 0.00 0.00 38.32 38.87 3ity h ASN 341 CO 0.09 0.14 -0.60 0.28 -1.65 0.00 0.00 177.43 175.70 3ity h SER 342 N 0.00 0.56 -0.84 5.81 0.02 -0.61 -1.11 113.55 117.38 3ity h SER 342 Ca -0.00 -0.74 0.01 0.00 -0.84 0.00 0.00 61.79 60.22 3ity h SER 342 Cb 0.53 -0.17 -0.04 0.00 0.14 0.00 0.00 62.40 62.86 3ity h SER 342 CO 0.02 1.22 0.56 0.00 -1.14 0.00 0.00 176.83 177.49 3ity h ALA 343 N 0.35 1.41 -0.31 3.77 0.00 -0.79 -1.20 119.26 122.49 3ity h ALA 343 Ca -0.07 -0.06 -0.02 0.00 0.00 0.00 0.00 54.91 54.76 3ity h ALA 343 Cb 1.30 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 18.74 3ity h ALA 343 CO 0.12 0.55 0.11 -0.91 0.00 0.00 0.00 179.25 179.12 3ity h ASN 344 N 1.13 0.44 -0.32 0.00 -0.26 -1.14 -2.25 115.58 113.18 3ity h ASN 344 Ca 0.31 -0.19 -0.02 0.00 -0.56 0.00 0.00 56.30 55.84 3ity h ASN 344 Cb -0.12 -0.11 -0.02 0.00 -1.06 0.00 0.00 38.32 37.00 3ity h ASN 344 CO -0.07 0.51 0.15 -0.33 -1.06 0.00 0.00 177.43 176.63 3ity h GLU 345 N 0.35 0.52 -0.35 0.81 4.39 -0.51 0.79 114.58 120.57 3ity h GLU 345 Ca 0.10 -0.06 -0.10 0.00 0.34 0.00 0.00 59.36 59.64 3ity h GLU 345 Cb 0.21 -0.10 -0.01 0.00 -0.10 0.00 0.00 28.75 28.75 3ity h GLU 345 CO -0.01 0.44 -0.18 0.82 -1.16 0.00 0.00 179.01 178.93 3ity h ILE 346 N 0.53 1.29 -0.00 3.13 2.04 -1.03 -1.46 117.51 122.00 3ity h ILE 346 Ca 0.13 -1.30 -0.09 0.00 1.00 0.00 0.00 64.86 64.60 3ity h ILE 346 Cb 0.11 1.38 -0.01 0.00 -0.74 0.00 0.00 36.82 37.55 3ity h ILE 346 CO -0.01 0.42 -0.45 0.03 0.00 0.00 0.00 178.15 178.15 3ity h ARG 347 N 0.52 0.00 -0.04 2.37 3.08 -0.83 -2.19 114.38 117.29 3ity h ARG 347 Ca 0.08 -0.00 -0.00 0.00 0.07 0.00 0.00 59.98 60.12 3ity h ARG 347 Cb 0.72 -0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.77 3ity h ARG 347 CO 0.05 0.45 0.01 -0.09 -1.07 0.00 0.00 179.97 179.32 3ity h ARG 348 N 0.00 0.06 -0.78 0.04 2.43 -0.50 0.13 114.38 115.76 3ity h ARG 348 Ca -0.00 -0.01 -0.05 0.00 -0.81 0.00 0.00 59.98 59.11 3ity h ARG 348 Cb 0.79 -0.01 -0.03 0.00 -0.42 0.00 0.00 29.97 30.30 3ity h ARG 348 CO 0.06 0.23 0.31 0.00 -1.51 0.00 0.00 179.97 179.06 3ity h ALA 349 N 0.82 1.06 -0.12 2.80 0.00 -1.19 -1.87 119.26 120.77 3ity h ALA 349 Ca 0.01 -0.20 -0.00 0.00 0.00 0.00 0.00 54.91 54.72 3ity h ALA 349 Cb 0.20 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 17.68 3ity h ALA 349 CO -0.00 0.66 0.07 -0.92 0.00 0.00 0.00 179.25 179.06 3ity h TYR 350 N 1.14 0.16 -0.57 0.00 3.20 -1.22 -1.22 116.97 118.46 3ity h TYR 350 Ca 0.26 -0.00 0.02 0.00 3.14 0.00 0.00 58.73 62.15 3ity h TYR 350 Cb 0.22 -0.05 -0.03 0.00 1.54 0.00 0.00 36.73 38.41 3ity h TYR 350 CO 0.02 0.14 0.36 0.00 -1.64 0.00 0.00 178.16 177.04 3ity h ALA 351 N 1.00 0.73 -0.65 1.82 0.00 -0.71 -1.59 119.26 119.86 3ity h ALA 351 Ca 0.04 -0.02 -0.04 0.00 0.00 0.00 0.00 54.91 54.89 3ity h ALA 351 Cb 0.03 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 17.61 3ity h ALA 351 CO -0.01 0.10 0.24 1.96 0.00 0.00 0.00 179.25 181.54 3ity h GLN 352 N 0.71 0.96 -0.27 0.00 4.20 -1.17 -1.81 115.11 117.73 3ity h GLN 352 Ca 0.22 -0.17 -0.05 0.00 0.06 0.00 0.00 58.65 58.72 3ity h GLN 352 Cb -0.01 -0.16 -0.02 0.00 0.30 0.00 0.00 27.48 27.60 3ity h GLN 352 CO -0.08 0.80 -0.05 0.00 -0.67 0.00 0.00 178.83 178.83 3ity h ALA 353 N 1.32 1.42 0.00 3.87 0.00 -0.58 -1.18 119.26 124.11 3ity h ALA 353 Ca 0.22 -0.20 -0.03 0.00 0.00 0.00 0.00 54.91 54.90 3ity h ALA 353 Cb 0.21 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 17.87 3ity h ALA 353 CO -0.02 0.40 -0.12 -0.07 0.00 0.00 0.00 179.25 179.45 3ity h LEU 354 N 0.40 0.00 -0.07 0.00 3.38 -0.45 -2.80 115.31 115.77 3ity h LEU 354 Ca 0.09 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.06 3ity h LEU 354 Cb 0.34 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.09 3ity h LEU 354 CO 0.01 0.12 0.00 -0.07 0.09 0.00 0.00 178.44 178.60 3ity h LEU 355 N 0.00 0.00 -9.60 1.67 3.38 -0.85 -3.46 115.31 106.45 3ity h LEU 355 Ca -0.00 0.00 -0.53 0.00 0.09 0.00 0.00 57.88 57.44 3ity h LEU 355 Cb 0.53 0.00 0.05 0.00 0.09 0.00 0.00 40.66 41.33 3ity h LEU 355 CO 0.02 0.00 1.02 0.52 0.09 0.00 0.00 178.44 180.09 3ity n VAL 356 N -2.30 0.11 -2.55 1.22 0.31 -1.06 -4.80 118.33 109.26 3ity n VAL 356 Ca 0.05 -0.02 -0.41 0.00 -0.01 0.00 0.00 64.34 63.95 3ity n VAL 356 Cb 0.42 -1.99 -0.03 0.00 -0.91 0.00 0.00 33.84 31.33 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 1.64 6.35 0.32 4.52 -1.08 -1.26 -4.85 116.67 122.30 3ity s ASP 357 Ca 0.78 -1.02 -0.00 0.00 -0.52 0.00 0.00 52.55 51.79 3ity s ASP 357 Cb -0.52 -2.57 0.53 0.00 -1.46 0.00 0.00 42.92 38.91 3ity s ASP 357 CO 0.34 -1.66 1.98 0.03 0.52 0.00 0.00 175.17 176.38 3ity h ARG 358 N 9.92 0.95 -0.32 4.34 2.47 -1.95 -0.88 114.38 128.91 3ity h ARG 358 Ca -0.01 -0.07 -0.03 0.00 -1.26 0.00 0.00 59.98 58.61 3ity h ARG 358 Cb 1.03 -0.21 -0.01 0.00 -1.65 0.00 0.00 29.97 29.12 3ity h ARG 358 CO 1.36 0.65 0.07 0.00 0.56 0.00 0.00 179.97 182.61 3ity h ALA 359 N 1.53 0.42 -0.35 0.04 0.00 -1.99 -0.54 119.26 118.36 3ity h ALA 359 Ca 0.26 -0.18 -0.04 0.00 0.00 0.00 0.00 54.91 54.95 3ity h ALA 359 Cb -0.08 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.57 3ity h ALA 359 CO -0.05 0.09 0.07 0.00 0.00 0.00 0.00 179.25 179.36 3ity h ALA 360 N 0.91 0.46 -0.54 0.00 0.00 -1.90 -2.17 119.26 116.03 3ity h ALA 360 Ca 0.10 -0.19 0.01 0.00 0.00 0.00 0.00 54.91 54.83 3ity h ALA 360 Cb 0.31 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 17.93 3ity h ALA 360 CO 0.00 0.15 0.34 1.25 0.00 0.00 0.00 179.25 180.99 3ity h LEU 361 N 0.42 0.58 -0.85 0.00 5.85 -1.06 -1.66 115.31 118.58 3ity h LEU 361 Ca 0.11 -0.01 0.04 0.00 0.84 0.00 0.00 57.88 58.86 3ity h LEU 361 Cb 0.32 -0.13 -0.05 0.00 0.37 0.00 0.00 40.66 41.16 3ity h LEU 361 CO 0.00 0.41 0.54 -1.28 -0.34 0.00 0.00 178.44 177.78 3ity h SER 362 N 0.69 0.88 -0.25 1.25 0.87 -0.96 -0.36 113.55 115.68 3ity h SER 362 Ca 0.21 0.00 -0.01 0.00 -1.23 0.00 0.00 61.79 60.76 3ity h SER 362 Cb -0.04 -0.19 -0.01 0.00 -0.44 0.00 0.00 62.40 61.72 3ity h SER 362 CO -0.07 0.59 0.12 1.23 -0.53 0.00 0.00 176.83 178.18 3ity h GLY 363 N 1.03 0.38 2.00 5.77 0.00 -0.76 -1.14 103.07 110.35 3ity h GLY 363 Ca 0.35 -0.19 -0.07 0.00 0.00 0.00 0.00 47.33 47.43 3ity h GLY 363 CO -0.13 0.18 -0.31 -0.97 0.00 0.00 0.00 176.54 175.30 3ity h TYR 364 N 0.27 0.00 -0.10 5.60 0.05 -0.91 -1.71 116.97 120.17 3ity h TYR 364 Ca 0.08 0.00 -0.13 0.00 0.05 0.00 0.00 58.73 58.73 3ity h TYR 364 Cb 0.11 0.00 0.01 0.00 1.01 0.00 0.00 36.73 37.86 3ity h TYR 364 CO -0.02 0.31 -0.46 1.96 -1.05 0.00 0.00 178.16 178.90 3ity h GLN 365 N 0.00 0.50 -0.25 4.88 4.20 -0.75 0.39 115.11 124.07 3ity h GLN 365 Ca -0.00 -0.39 -0.07 0.00 0.06 0.00 0.00 58.65 58.24 3ity h GLN 365 Cb 0.59 0.08 -0.01 0.00 0.30 0.00 0.00 27.48 28.44 3ity h GLN 365 CO 0.04 1.02 -0.14 0.93 -0.67 0.00 0.00 178.83 180.01 3ity h GLU 366 N 0.09 0.42 -0.14 1.46 4.39 -1.02 -2.46 114.58 117.33 3ity h GLU 366 Ca -0.03 -0.12 0.00 0.00 0.34 0.00 0.00 59.36 59.55 3ity h GLU 366 Cb 1.10 -0.05 0.00 0.00 -0.10 0.00 0.00 28.75 29.70 3ity h GLU 366 CO 0.10 0.57 0.00 -0.25 -1.16 0.00 0.00 179.01 178.26 3ity n ASP 367 N -4.21 1.60 -3.82 1.42 8.00 -0.66 -4.93 116.55 113.95 3ity n ASP 367 Ca 0.00 -1.66 -0.28 0.00 0.71 0.00 0.00 54.79 53.55 3ity n ASP 367 Cb 0.32 -0.09 0.04 0.00 -0.02 0.00 0.00 41.12 41.38 3ity n ASP 367 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 3ity n ASN 368 N 0.27 -5.11 -4.34 -2.24 4.13 -0.82 -4.90 115.26 102.26 3ity n ASN 368 Ca 0.17 -0.71 -0.44 0.00 1.68 0.00 0.00 54.58 55.27 3ity n ASN 368 Cb 0.33 -4.21 0.00 0.00 -1.54 0.00 0.00 39.78 34.36 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 -2.89 5.48 -0.27 6.41 -0.08 0.06 -4.88 116.55 120.38 3ity n ASP 369 Ca 0.02 -3.05 0.02 0.00 -1.51 0.00 0.00 54.79 50.27 3ity n ASP 369 Cb 0.54 -1.44 0.16 0.00 2.34 0.00 0.00 41.12 42.72 3ity n ASP 369 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 3ity h ALA 370 N 6.68 1.10 0.10 -1.67 0.00 -1.91 -1.08 119.26 122.48 3ity h ALA 370 Ca 0.23 0.04 -0.00 0.00 0.00 0.00 0.00 54.91 55.18 3ity h ALA 370 Cb 0.84 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.53 3ity h ALA 370 CO 1.13 0.05 -0.05 1.25 0.00 0.00 0.00 179.25 181.64 3ity h LEU 371 N 0.73 -0.11 -1.18 0.00 6.46 -1.96 -1.24 115.31 118.01 3ity h LEU 371 Ca 0.38 -0.08 -0.08 0.00 -0.12 0.00 0.00 57.88 57.97 3ity h LEU 371 Cb 0.36 0.03 -0.01 0.00 -0.73 0.00 0.00 40.66 40.31 3ity h LEU 371 CO -0.25 0.01 -0.39 0.24 -0.62 0.00 0.00 178.44 177.43 3ity h MET 372 N -0.23 0.00 -0.22 1.25 2.86 -1.93 -0.71 114.93 115.96 3ity h MET 372 Ca -0.01 0.00 -0.04 0.00 -2.06 0.00 0.00 59.70 57.59 3ity h MET 372 Cb 0.19 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 31.84 3ity h MET 372 CO 0.02 0.39 -0.01 0.00 1.06 0.00 0.00 176.91 178.37 3ity h ALA 373 N 1.61 0.30 -0.15 6.32 0.00 -0.97 0.39 119.26 126.75 3ity h ALA 373 Ca -0.00 -0.22 -0.12 0.00 0.00 0.00 0.00 54.91 54.56 3ity h ALA 373 Cb 0.75 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.45 3ity h ALA 373 CO 0.05 0.03 -0.44 0.00 0.00 0.00 0.00 179.25 178.89 3ity h THR 374 N 0.16 1.32 0.00 0.00 1.03 -1.05 -2.48 112.91 111.89 3ity h THR 374 Ca 0.06 -1.62 -0.09 0.00 -0.01 0.00 0.00 66.41 64.75 3ity h THR 374 Cb 0.42 1.69 -0.01 0.00 -1.07 0.00 0.00 68.15 69.17 3ity h THR 374 CO 0.01 0.49 -0.42 -0.08 -0.01 0.00 0.00 175.52 175.52 3ity h GLU 375 N 0.31 0.00 -0.50 0.00 4.57 -0.97 -1.23 114.58 116.75 3ity h GLU 375 Ca 0.02 0.00 -0.10 0.00 -1.18 0.00 0.00 59.36 58.10 3ity h GLU 375 Cb 0.91 0.00 -0.02 0.00 -0.16 0.00 0.00 28.75 29.48 3ity h GLU 375 CO 0.08 0.42 -0.08 1.15 -1.18 0.00 0.00 179.01 179.40 3ity h THR 376 N 0.00 1.26 -0.31 0.32 2.02 -0.46 0.17 112.91 115.91 3ity h THR 376 Ca -0.00 -1.18 -0.15 0.00 0.77 0.00 0.00 66.41 65.84 3ity h THR 376 Cb 0.76 0.96 -0.00 0.00 -1.74 0.00 0.00 68.15 68.13 3ity h THR 376 CO 0.05 0.41 -0.41 -0.07 0.37 0.00 0.00 175.52 175.88 3ity h LEU 377 N 0.82 0.89 -1.13 2.58 3.38 -1.23 -3.19 115.31 117.43 3ity h LEU 377 Ca 0.14 -0.50 -0.05 0.00 0.09 0.00 0.00 57.88 57.56 3ity h LEU 377 Cb 0.60 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 41.07 3ity h LEU 377 CO 0.04 1.21 0.10 0.11 0.09 0.00 0.00 178.44 179.99 3ity h LYS 378 N 0.59 0.71 -0.15 1.13 1.79 -0.90 -0.70 116.57 119.04 3ity h LYS 378 Ca 0.04 -0.14 0.00 0.00 -2.18 0.00 0.00 60.65 58.37 3ity h LYS 378 Cb 1.00 -0.11 -0.01 0.00 -1.58 0.00 0.00 32.23 31.54 3ity h LYS 378 CO 0.10 0.66 0.10 0.00 -1.08 0.00 0.00 179.45 179.22 3ity h ARG 379 N 0.69 0.19 0.00 3.15 3.08 -0.95 0.50 114.38 121.04 3ity h ARG 379 Ca 0.15 -0.01 -0.00 0.00 0.07 0.00 0.00 59.98 60.19 3ity h ARG 379 Cb 0.28 -0.04 0.00 0.00 0.08 0.00 0.00 29.97 30.28 3ity h ARG 379 CO -0.00 0.13 -0.00 0.00 -1.07 0.00 0.00 179.97 179.03 3ity h ALA 380 N 1.91 -0.00 -0.83 0.04 0.00 -1.43 -3.29 119.26 115.64 3ity h ALA 380 Ca 0.06 -0.46 -0.00 0.00 0.00 0.00 0.00 54.91 54.50 3ity h ALA 380 Cb -0.01 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 17.74 3ity h ALA 380 CO -0.01 -0.01 0.51 -0.92 0.00 0.00 0.00 179.25 178.82 3ity h TYR 381 N -0.98 1.09 0.00 0.00 3.20 -0.71 -2.29 116.97 117.28 3ity h TYR 381 Ca -0.00 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.87 3ity h TYR 381 Cb 0.93 -0.36 0.00 0.00 1.54 0.00 0.00 36.73 38.84 3ity h TYR 381 CO 0.26 0.72 0.00 0.00 -1.64 0.00 0.00 178.16 177.50 3ity h ARG 382 N 1.15 0.00 -6.46 1.82 3.08 -0.15 -3.44 114.38 110.38 3ity h ARG 382 Ca 0.30 0.00 -0.54 0.00 0.07 0.00 0.00 59.98 59.82 3ity h ARG 382 Cb -0.06 0.00 0.01 0.00 0.08 0.00 0.00 29.97 30.00 3ity h ARG 382 CO -0.06 0.00 0.85 0.99 -1.07 0.00 0.00 179.97 180.68 3ity s THR 383 N -3.56 3.35 -0.73 2.04 2.01 -0.86 -4.94 115.64 112.94 3ity s THR 383 Ca 0.02 0.85 -0.26 0.00 0.31 0.00 0.00 61.69 62.61 3ity s THR 383 Cb 0.09 -3.54 0.04 0.00 0.01 0.00 0.00 72.50 69.10 3ity s THR 383 CO 0.45 0.02 1.20 -0.62 -0.69 0.00 0.00 174.62 174.98 3ity s ASP 384 N 1.75 6.18 -0.02 3.53 2.15 -1.26 -4.86 116.67 124.15 3ity s ASP 384 Ca 0.67 -0.65 0.08 0.00 0.43 0.00 0.00 52.55 53.08 3ity s ASP 384 Cb -0.36 -2.52 0.27 0.00 -0.30 0.00 0.00 42.92 40.01 3ity s ASP 384 CO 0.29 -1.71 1.18 1.33 -0.17 0.00 0.00 175.17 176.09 3ity n VAL 385 N 6.27 0.52 -0.34 1.11 0.24 -1.26 -4.40 118.33 120.47 3ity n VAL 385 Ca 0.03 -0.42 0.07 0.00 -2.04 0.00 0.00 64.34 61.97 3ity n VAL 385 Cb 0.48 0.09 0.23 0.00 -1.47 0.00 0.00 33.84 33.17 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 1.70 0.84 -0.48 7.34 4.57 -1.98 -0.75 114.58 125.83 3ity h GLU 386 Ca 0.00 -0.05 0.00 0.00 -1.18 0.00 0.00 59.36 58.13 3ity h GLU 386 Cb 0.52 -0.19 -0.02 0.00 -0.16 0.00 0.00 28.75 28.89 3ity h GLU 386 CO 0.03 0.56 0.31 -1.35 -1.18 0.00 0.00 179.01 177.38 3ity h PRO 387 N 0.87 0.63 -0.27 0.92 0.11 -1.92 0.72 132.00 133.06 3ity h PRO 387 Ca 0.48 -0.04 -0.10 0.00 0.11 0.00 0.00 66.00 66.45 3ity h PRO 387 Cb 0.53 -0.14 -0.00 0.00 0.11 0.00 0.00 31.00 31.50 3ity h PRO 387 CO -0.29 0.43 -0.23 0.82 -0.21 0.00 0.00 178.00 178.52 3ity h ILE 388 N 0.65 1.31 -0.53 4.15 2.04 -1.49 -0.91 117.51 122.73 3ity h ILE 388 Ca 0.17 -1.38 -0.01 0.00 1.00 0.00 0.00 64.86 64.64 3ity h ILE 388 Cb -0.06 1.60 -0.02 0.00 -0.74 0.00 0.00 36.82 37.59 3ity h ILE 388 CO -0.04 0.44 0.28 -0.07 0.00 0.00 0.00 178.15 178.76 3ity h LEU 389 N 0.36 0.67 -0.38 1.44 4.07 -0.73 -0.62 115.31 120.13 3ity h LEU 389 Ca 0.05 -0.11 -0.07 0.00 0.08 0.00 0.00 57.88 57.83 3ity h LEU 389 Cb 0.78 -0.17 -0.01 0.00 1.08 0.00 0.00 40.66 42.34 3ity h LEU 389 CO 0.06 0.59 -0.03 0.00 -1.08 0.00 0.00 178.44 177.97 3ity h ALA 390 N 1.11 0.51 -0.43 1.53 0.00 -0.83 -2.08 119.26 119.08 3ity h ALA 390 Ca 0.18 -0.28 -0.10 0.00 0.00 0.00 0.00 54.91 54.72 3ity h ALA 390 Cb 0.08 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.71 3ity h ALA 390 CO -0.03 0.32 -0.15 1.49 0.00 0.00 0.00 179.25 180.88 3ity h GLU 391 N 0.50 0.80 -0.27 0.00 4.57 -1.07 0.35 114.58 119.46 3ity h GLU 391 Ca 0.10 -0.29 0.00 0.00 -1.18 0.00 0.00 59.36 57.99 3ity h GLU 391 Cb 0.52 -0.05 -0.01 0.00 -0.16 0.00 0.00 28.75 29.04 3ity h GLU 391 CO 0.03 0.91 0.18 0.00 -1.18 0.00 0.00 179.01 178.94 3ity h ALA 392 N 1.11 0.35 0.01 2.92 0.00 -1.01 -0.04 119.26 122.59 3ity h ALA 392 Ca 0.11 -0.03 -0.00 0.00 0.00 0.00 0.00 54.91 54.99 3ity h ALA 392 Cb 0.65 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.33 3ity h ALA 392 CO 0.05 -0.17 -0.00 0.00 0.00 0.00 0.00 179.25 179.13 3ity h ARG 393 N 0.36 -0.01 -0.62 0.00 3.08 -1.08 -2.44 114.38 113.67 3ity h ARG 393 Ca 0.10 0.00 0.08 0.00 0.07 0.00 0.00 59.98 60.23 3ity h ARG 393 Cb -0.02 0.00 -0.07 0.00 0.08 0.00 0.00 29.97 29.97 3ity h ARG 393 CO -0.02 0.07 0.27 -0.09 -1.07 0.00 0.00 179.97 179.13 3ity h ARG 394 N -0.08 0.47 0.00 0.04 2.43 -0.64 0.46 114.38 117.06 3ity h ARG 394 Ca -0.00 -0.03 -0.00 0.00 -0.81 0.00 0.00 59.98 59.14 3ity h ARG 394 Cb 0.08 -0.11 -0.00 0.00 -0.42 0.00 0.00 29.97 29.52 3ity h ARG 394 CO 0.00 0.31 -0.01 0.00 -1.51 0.00 0.00 179.97 178.77 3ity h ARG 395 N 0.49 0.00 -0.39 0.20 3.08 -0.88 -3.18 114.38 113.70 3ity h ARG 395 Ca 0.30 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.35 3ity h ARG 395 Cb 0.32 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.37 3ity h ARG 395 CO -0.26 0.01 0.00 0.25 -1.07 0.00 0.00 179.97 178.89 3ity n THR 396 N -3.11 1.60 -0.23 2.04 -2.24 -0.74 -4.94 114.28 106.66 3ity n THR 396 Ca 0.00 -1.32 0.00 0.00 -2.27 0.00 0.00 64.05 60.46 3ity n THR 396 Cb 0.29 0.18 0.00 0.00 -2.10 0.00 0.00 70.33 68.70 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 0.35 0.79 0.00 3.38 0.00 -1.04 -4.99 105.19 103.67 3ity n GLY 397 Ca 0.18 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.20 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 -2.14 1.13 3.67 -0.02 0.00 0.15 -4.80 105.19 103.19 3ity n GLY 398 Ca 0.00 -2.00 -0.35 0.00 0.00 0.00 0.00 46.02 43.68 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 -2.53 3.27 0.18 4.61 0.00 -0.35 -4.22 121.76 122.73 3ity s ALA 399 Ca 0.00 -0.80 -0.13 0.00 0.00 0.00 0.00 51.96 51.02 3ity s ALA 399 Cb 0.00 -1.50 0.14 0.00 0.00 0.00 0.00 23.12 21.76 3ity s ALA 399 CO 0.00 0.55 1.76 0.28 0.00 0.00 0.00 175.76 178.35 3ity h VAL 400 N 4.25 0.89 -3.24 0.00 2.07 -1.88 -3.30 116.25 115.05 3ity h VAL 400 Ca -0.49 -0.14 -0.63 0.00 0.82 0.00 0.00 66.70 66.26 3ity h VAL 400 Cb 1.19 0.45 -0.40 0.00 -1.52 0.00 0.00 31.29 31.01 3ity h VAL 400 CO 0.55 0.07 -0.70 -0.62 0.02 0.00 0.00 177.57 176.90 3ity s ASP 401 N -5.43 4.07 0.16 0.57 -1.08 -1.26 -4.69 116.67 109.01 3ity s ASP 401 Ca -0.13 -2.63 -0.22 0.00 -0.52 0.00 0.00 52.55 49.05 3ity s ASP 401 Cb 0.14 -1.32 0.05 0.00 -1.46 0.00 0.00 42.92 40.33 3ity s ASP 401 CO 0.73 -0.28 1.62 -0.65 0.52 0.00 0.00 175.17 177.11 3ity h PRO 402 N 6.87 -0.23 -0.74 4.34 0.11 -1.85 -1.27 132.00 139.23 3ity h PRO 402 Ca -0.05 0.02 -0.05 0.00 0.11 0.00 0.00 66.00 66.02 3ity h PRO 402 Cb 0.93 0.05 -0.03 0.00 0.11 0.00 0.00 31.00 32.06 3ity h PRO 402 CO 0.56 -0.16 0.25 0.28 -0.21 0.00 0.00 178.00 178.73 3ity h VAL 403 N -0.24 1.26 -0.75 3.15 2.07 -1.95 0.11 116.25 119.90 3ity h VAL 403 Ca 0.16 -0.88 -0.06 0.00 0.82 0.00 0.00 66.70 66.74 3ity h VAL 403 Cb 0.49 0.42 -0.03 0.00 -1.52 0.00 0.00 31.29 30.64 3ity h VAL 403 CO -0.45 0.35 0.23 0.00 0.02 0.00 0.00 177.57 177.73 3ity h ALA 404 N 1.17 0.99 -0.33 1.67 0.00 -1.93 -0.52 119.26 120.31 3ity h ALA 404 Ca 0.24 -0.23 -0.17 0.00 0.00 0.00 0.00 54.91 54.76 3ity h ALA 404 Cb 0.28 -0.29 -0.00 0.00 0.00 0.00 0.00 17.79 17.78 3ity h ALA 404 CO -0.01 0.67 -0.45 1.15 0.00 0.00 0.00 179.25 180.61 3ity h THR 405 N 1.12 1.28 -0.26 0.00 2.02 -0.90 -1.23 112.91 114.93 3ity h THR 405 Ca 0.24 -1.63 0.01 0.00 0.77 0.00 0.00 66.41 65.80 3ity h THR 405 Cb 0.31 1.50 -0.02 0.00 -1.74 0.00 0.00 68.15 68.20 3ity h THR 405 CO -0.01 0.54 0.14 0.22 0.37 0.00 0.00 175.52 176.78 3ity h TYR 406 N 0.69 0.25 -0.52 3.16 3.20 -0.41 -1.32 116.97 122.02 3ity h TYR 406 Ca 0.04 0.01 -0.11 0.00 3.14 0.00 0.00 58.73 61.81 3ity h TYR 406 Cb 1.04 -0.08 -0.02 0.00 1.54 0.00 0.00 36.73 39.21 3ity h TYR 406 CO 0.06 0.15 -0.12 0.00 -1.64 0.00 0.00 178.16 176.61 3ity h ARG 407 N 0.29 0.98 0.00 1.82 3.08 -1.05 -2.76 114.38 116.74 3ity h ARG 407 Ca 0.10 -0.36 -0.03 0.00 0.07 0.00 0.00 59.98 59.76 3ity h ARG 407 Cb 0.02 -0.06 -0.00 0.00 0.08 0.00 0.00 29.97 30.00 3ity h ARG 407 CO -0.06 1.03 -0.14 0.00 -1.07 0.00 0.00 179.97 179.73 3ity h ALA 408 N 0.98 1.44 0.00 0.04 0.00 -0.90 -2.38 119.26 118.44 3ity h ALA 408 Ca 0.14 -0.13 -0.05 0.00 0.00 0.00 0.00 54.91 54.86 3ity h ALA 408 Cb 0.67 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.43 3ity h ALA 408 CO 0.05 0.18 -0.26 0.66 0.00 0.00 0.00 179.25 179.87 3ity h SER 409 N 0.00 0.00 -0.55 0.00 4.64 -0.95 -3.47 113.55 113.22 3ity h SER 409 Ca -0.00 0.00 -0.18 0.00 -0.47 0.00 0.00 61.79 61.14 3ity h SER 409 Cb 0.32 0.00 -0.06 0.00 -0.31 0.00 0.00 62.40 62.34 3ity h SER 409 CO 0.02 0.26 -0.17 0.61 -0.87 0.00 0.00 176.83 176.67 3ity n GLY 410 N 0.76 0.91 0.21 -0.77 0.00 -0.90 -4.93 105.19 100.47 3ity n GLY 410 Ca 0.02 -0.62 -0.02 0.00 0.00 0.00 0.00 46.02 45.41 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 -0.64 1.61 3.20 -1.84 -1.46 116.97 117.89 3ity h TYR 411 Ca -0.19 0.04 0.02 0.00 3.14 0.00 0.00 58.73 61.74 3ity h TYR 411 Cb 0.66 0.05 -0.04 0.00 1.54 0.00 0.00 36.73 38.95 3ity h TYR 411 CO 0.25 -0.07 0.41 -0.09 -1.64 0.00 0.00 178.16 177.01 3ity h ARG 412 N 0.17 0.78 -0.52 1.82 9.65 -1.91 -1.20 114.38 123.18 3ity h ARG 412 Ca 0.27 -0.05 -0.05 0.00 -1.10 0.00 0.00 59.98 59.05 3ity h ARG 412 Cb 0.39 -0.18 -0.02 0.00 -1.39 0.00 0.00 29.97 28.77 3ity h ARG 412 CO -0.40 0.52 0.11 0.00 2.80 0.00 0.00 179.97 183.00 3ity h ALA 413 N 1.27 1.22 0.40 2.80 0.00 -1.84 -1.30 119.26 121.81 3ity h ALA 413 Ca 0.25 -0.21 -0.02 0.00 0.00 0.00 0.00 54.91 54.93 3ity h ALA 413 Cb -0.01 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 17.57 3ity h ALA 413 CO -0.09 0.53 -0.19 -0.09 0.00 0.00 0.00 179.25 179.41 3ity h ARG 414 N 0.77 -0.52 0.00 0.00 2.43 -0.28 -2.42 114.38 114.35 3ity h ARG 414 Ca 0.17 0.04 -0.01 0.00 -0.81 0.00 0.00 59.98 59.36 3ity h ARG 414 Cb 0.31 0.12 -0.00 0.00 -0.42 0.00 0.00 29.97 29.98 3ity h ARG 414 CO 0.00 -0.32 -0.07 -0.39 -1.51 0.00 0.00 179.97 177.68 3ity h VAL 415 N -0.59 0.17 -0.12 0.20 -1.51 -1.18 -2.38 116.25 110.84 3ity h VAL 415 Ca -0.06 -0.73 -0.10 0.00 -1.23 0.00 0.00 66.70 64.59 3ity h VAL 415 Cb 0.45 1.62 -0.01 0.00 -2.13 0.00 0.00 31.29 31.21 3ity h VAL 415 CO 0.09 0.07 -0.39 0.00 -1.23 0.00 0.00 177.57 176.11 3ity h ALA 416 N 1.93 1.13 0.01 5.19 0.00 -1.01 0.11 119.26 126.63 3ity h ALA 416 Ca -0.00 -0.39 -0.22 0.00 0.00 0.00 0.00 54.91 54.30 3ity h ALA 416 Cb 0.61 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 18.28 3ity h ALA 416 CO 0.01 0.57 -1.05 0.00 0.00 0.00 0.00 179.25 178.78 3ity h ALA 417 N 1.39 0.34 0.00 0.00 0.00 -0.95 -3.30 119.26 116.73 3ity h ALA 417 Ca 0.02 -0.93 -0.13 0.00 0.00 0.00 0.00 54.91 53.87 3ity h ALA 417 Cb 0.78 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.43 3ity h ALA 417 CO 0.06 1.23 -0.84 0.93 0.00 0.00 0.00 179.25 180.64 3ity h GLU 418 N 0.01 0.00 -6.29 0.00 5.08 -1.20 -3.46 114.58 108.71 3ity h GLU 418 Ca -0.03 0.00 -0.65 0.00 -1.00 0.00 0.00 59.36 57.68 3ity h GLU 418 Cb 1.80 0.00 -0.12 0.00 0.50 0.00 0.00 28.75 30.93 3ity h GLU 418 CO 0.14 0.47 -0.65 1.03 -1.00 0.00 0.00 179.01 178.99 3ity s ARG 419 N -2.93 2.63 1.25 2.33 0.52 0.35 -5.09 118.95 118.02 3ity s ARG 419 Ca 0.01 -0.77 -0.18 0.00 -0.52 0.00 0.00 55.73 54.27 3ity s ARG 419 Cb 0.08 -2.58 0.27 0.00 0.52 0.00 0.00 34.95 33.24 3ity s ARG 419 CO 0.77 0.56 0.64 -2.30 0.02 0.00 0.00 175.30 175.00 3ity n PRO 420 N 0.75 -3.23 0.00 3.54 -0.02 -1.26 -4.74 135.00 130.03 3ity n PRO 420 Ca -0.11 -0.94 0.09 0.00 -2.02 0.00 0.00 63.50 60.51 3ity n PRO 420 Cb 0.52 -1.85 0.08 0.00 -0.02 0.00 0.00 33.50 32.22 3ity n PRO 420 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48