#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1nly h SER 7 N 0.00 0.69 -0.87 -1.43 0.87 -2.05 0.84 113.55 111.60 1nly h SER 7 Ca 0.00 0.04 -0.01 0.00 -1.23 0.00 0.00 61.79 60.59 1nly h SER 7 Cb 0.00 -0.10 -0.04 0.00 -0.44 0.00 0.00 62.40 61.82 1nly h SER 7 CO 0.00 0.35 0.50 0.00 -0.53 0.00 0.00 176.83 177.16 1nly h ALA 8 N 1.59 1.11 0.24 6.23 0.00 -2.05 0.67 119.26 127.05 1nly h ALA 8 Ca 0.45 -0.11 -0.33 0.00 0.00 0.00 0.00 54.91 54.92 1nly h ALA 8 Cb 0.67 -0.35 0.03 0.00 0.00 0.00 0.00 17.79 18.15 1nly h ALA 8 CO -0.21 0.60 -1.45 0.93 0.00 0.00 0.00 179.25 179.11 1nly h GLU 9 N 1.21 0.50 -0.83 0.00 3.07 -1.54 -3.05 114.58 113.94 1nly h GLU 9 Ca 0.31 -0.86 0.05 0.00 -0.50 0.00 0.00 59.36 58.36 1nly h GLU 9 Cb -0.01 0.32 -0.05 0.00 -0.84 0.00 0.00 28.75 28.17 1nly h GLU 9 CO -0.05 1.41 0.54 -0.44 -1.40 0.00 0.00 179.01 179.07 1nly h ASP 10 N 0.14 0.83 -0.02 1.42 3.32 0.94 0.35 116.42 123.40 1nly h ASP 10 Ca -0.24 -0.00 -0.00 0.00 0.02 0.00 0.00 57.03 56.80 1nly h ASP 10 Cb 2.15 -0.18 -0.00 0.00 0.22 0.00 0.00 39.33 41.51 1nly h ASP 10 CO 0.27 0.55 -0.00 0.11 -1.72 0.00 0.00 179.24 178.45 1nly h LYS 11 N 0.96 0.04 0.00 3.56 1.57 -0.95 0.11 116.57 121.86 1nly h LYS 11 Ca 0.34 -0.01 -0.02 0.00 -1.87 0.00 0.00 60.65 59.09 1nly h LYS 11 Cb 0.15 -0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.45 1nly h LYS 11 CO -0.11 0.36 -0.11 0.87 -0.57 0.00 0.00 179.45 179.88 1nly h LYS 12 N -0.28 0.00 0.06 3.15 1.57 -1.28 0.29 116.57 120.09 1nly h LYS 12 Ca 0.01 0.00 -0.24 0.00 -1.87 0.00 0.00 60.65 58.55 1nly h LYS 12 Cb 0.34 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.65 1nly h LYS 12 CO 0.00 0.11 -1.08 0.35 -0.57 0.00 0.00 179.45 178.27 1nly h PHE 13 N 0.00 0.40 0.00 -1.35 3.57 0.11 -3.27 116.94 116.39 1nly h PHE 13 Ca -0.00 -0.26 -0.14 0.00 3.53 0.00 0.00 57.97 61.10 1nly h PHE 13 Cb 0.30 -0.03 -0.02 0.00 2.79 0.00 0.00 35.95 38.99 1nly h PHE 13 CO 0.00 1.15 -0.93 -0.07 -2.23 0.00 0.00 178.31 176.23 1nly h LEU 14 N 0.10 0.00 -0.54 0.59 3.38 -0.24 -3.40 115.31 115.20 1nly h LEU 14 Ca -0.09 0.00 0.07 0.00 0.09 0.00 0.00 57.88 57.96 1nly h LEU 14 Cb 1.77 0.00 -0.08 0.00 0.09 0.00 0.00 40.66 42.44 1nly h LEU 14 CO 0.17 0.58 -0.25 1.21 0.09 0.00 0.00 178.44 180.24 1nly n GLU 15 N -3.09 -0.16 0.08 1.13 2.13 0.99 -0.66 120.64 121.04 1nly n GLU 15 Ca -0.03 0.83 -0.13 0.00 0.66 0.00 0.00 57.16 58.49 1nly n GLU 15 Cb 0.80 -1.23 -0.07 0.00 0.27 0.00 0.00 31.44 31.21 1nly n GLU 15 CO 0.00 0.00 0.00 0.28 -0.41 0.00 0.00 177.13 177.00 1nly h VAL 16 N 0.00 0.95 -0.13 6.31 2.07 -1.80 -0.81 116.25 122.85 1nly h VAL 16 Ca 0.16 -0.11 -0.02 0.00 0.82 0.00 0.00 66.70 67.55 1nly h VAL 16 Cb 0.29 1.02 -0.00 0.00 -1.52 0.00 0.00 31.29 31.08 1nly h VAL 16 CO -0.53 0.03 -0.00 -0.33 0.02 0.00 0.00 177.57 176.76 1nly h GLU 17 N -0.16 0.22 -0.38 1.57 4.39 -1.45 -2.67 114.58 116.09 1nly h GLU 17 Ca -0.01 -0.07 0.07 0.00 0.34 0.00 0.00 59.36 59.69 1nly h GLU 17 Cb 0.13 -0.02 -0.06 0.00 -0.10 0.00 0.00 28.75 28.70 1nly h GLU 17 CO 0.02 0.47 -0.02 0.00 -1.16 0.00 0.00 179.01 178.32 1nly h ARG 18 N -0.05 0.08 -0.03 2.33 3.08 -0.86 0.17 114.38 119.10 1nly h ARG 18 Ca 0.04 -0.00 0.04 0.00 0.07 0.00 0.00 59.98 60.12 1nly h ARG 18 Cb 0.37 -0.02 -0.05 0.00 0.08 0.00 0.00 29.97 30.35 1nly h ARG 18 CO 0.01 0.05 -0.35 0.00 -1.07 0.00 0.00 179.97 178.61 1nly h ALA 19 N 1.35 -0.51 0.23 0.04 0.00 -1.13 0.62 119.26 119.86 1nly h ALA 19 Ca 0.19 -0.02 0.01 0.00 0.00 0.00 0.00 54.91 55.09 1nly h ALA 19 Cb 0.27 0.63 -0.04 0.00 0.00 0.00 0.00 17.79 18.65 1nly h ALA 19 CO -0.33 -0.86 -0.52 -0.07 0.00 0.00 0.00 179.25 177.46 1nly h LEU 20 N -0.49 -1.53 0.10 0.00 3.38 -1.01 -1.43 115.31 114.33 1nly h LEU 20 Ca 0.07 0.15 0.02 0.00 0.09 0.00 0.00 57.88 58.21 1nly h LEU 20 Cb 0.59 0.55 -0.03 0.00 0.09 0.00 0.00 40.66 41.85 1nly h LEU 20 CO -0.30 -0.59 -0.25 0.11 0.09 0.00 0.00 178.44 177.49 1nly h LYS 21 N -0.82 -0.44 0.00 1.13 1.79 -0.39 -1.75 116.57 116.09 1nly h LYS 21 Ca -0.02 0.03 0.00 0.00 -2.18 0.00 0.00 60.65 58.48 1nly h LYS 21 Cb 0.79 0.10 0.00 0.00 -1.58 0.00 0.00 32.23 31.54 1nly h LYS 21 CO -0.23 -0.29 0.00 -1.91 -1.08 0.00 0.00 179.45 175.94 1nly n GLU 22 N -5.37 0.32 0.00 3.15 0.00 0.21 -1.00 120.64 117.95 1nly n GLU 22 Ca -0.06 0.00 0.09 0.00 0.00 0.00 0.00 57.16 57.19 1nly n GLU 22 Cb 0.28 -1.34 0.05 0.00 0.00 0.00 0.00 31.44 30.43 1nly n GLU 22 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 1nly n ALA 23 N -0.84 2.79 0.00 4.31 0.00 -0.55 -3.63 120.51 122.58 1nly n ALA 23 Ca 0.05 -0.62 0.00 0.00 0.00 0.00 0.00 53.44 52.87 1nly n ALA 23 Cb 0.02 -0.64 0.00 0.00 0.00 0.00 0.00 19.45 18.83 1nly n ALA 23 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1nly n ALA 24 N 0.63 1.36 0.10 0.00 0.00 -0.35 -4.69 120.51 117.56 1nly n ALA 24 Ca 0.10 0.00 0.11 0.00 0.00 0.00 0.00 53.44 53.65 1nly n ALA 24 Cb 0.44 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.87 1nly n ALA 24 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 1nly n LEU 25 N -0.99 0.75 -0.02 0.00 7.94 -0.17 -3.67 117.00 120.84 1nly n LEU 25 Ca 0.00 0.29 -0.16 0.00 -1.11 0.00 0.00 56.01 55.03 1nly n LEU 25 Cb 0.00 -0.05 -0.12 0.00 0.53 0.00 0.00 43.42 43.77 1nly n LEU 25 CO 0.00 -0.16 0.32 -1.13 -1.11 0.00 0.00 177.39 175.31 1nly h ASN 26 N 0.00 0.26 -0.91 1.96 -0.00 -1.81 -0.81 115.58 114.27 1nly h ASN 26 Ca 0.00 -0.84 0.13 0.00 -0.00 0.00 0.00 56.30 55.60 1nly h ASN 26 Cb 0.99 -0.08 -0.07 0.00 -0.00 0.00 0.00 38.32 39.16 1nly h ASN 26 CO 0.00 1.06 0.58 -0.65 -0.00 0.00 0.00 177.43 178.43 1nly h PRO 27 N -0.52 0.74 -0.01 6.67 0.11 -1.84 0.35 132.00 137.51 1nly h PRO 27 Ca -0.05 -0.04 -0.17 0.00 0.11 0.00 0.00 66.00 65.85 1nly h PRO 27 Cb 1.14 -0.17 -0.02 0.00 0.11 0.00 0.00 31.00 32.06 1nly h PRO 27 CO 0.06 0.49 -0.76 1.25 -0.21 0.00 0.00 178.00 178.84 1nly h LEU 28 N 0.77 0.14 -0.41 2.35 5.85 -1.63 -2.70 115.31 119.68 1nly h LEU 28 Ca 0.45 -0.10 -0.06 0.00 0.84 0.00 0.00 57.88 59.02 1nly h LEU 28 Cb 0.64 -0.04 -0.02 0.00 0.37 0.00 0.00 40.66 41.61 1nly h LEU 28 CO -0.21 0.84 0.04 0.03 -0.34 0.00 0.00 178.44 178.79 1nly h ARG 29 N 0.07 0.70 -0.27 1.25 3.08 0.57 -0.82 114.38 118.97 1nly h ARG 29 Ca -0.02 -0.21 -0.07 0.00 0.07 0.00 0.00 59.98 59.76 1nly h ARG 29 Cb 1.33 -0.07 -0.01 0.00 0.08 0.00 0.00 29.97 31.30 1nly h ARG 29 CO 0.11 0.76 -0.11 0.45 -1.07 0.00 0.00 179.97 180.11 1nly h HIS 30 N 0.54 0.62 -0.05 3.04 3.86 -1.33 0.14 115.15 121.97 1nly h HIS 30 Ca 0.12 -0.15 0.00 0.00 -1.16 0.00 0.00 60.37 59.18 1nly h HIS 30 Cb 0.42 -0.15 -0.00 0.00 1.06 0.00 0.00 27.41 28.74 1nly h HIS 30 CO 0.03 0.78 0.03 0.00 0.86 0.00 0.00 177.93 179.64 1nly h ALA 31 N 0.75 0.06 0.55 2.45 0.00 -1.44 0.96 119.26 122.59 1nly h ALA 31 Ca 0.06 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.94 1nly h ALA 31 Cb 0.61 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.36 1nly h ALA 31 CO 0.04 -0.43 -0.51 1.15 0.00 0.00 0.00 179.25 179.49 1nly h THR 32 N 0.05 0.00 -0.63 0.00 2.02 -1.07 0.81 112.91 114.10 1nly h THR 32 Ca 0.02 0.00 0.12 0.00 0.77 0.00 0.00 66.41 67.32 1nly h THR 32 Cb 0.01 0.00 -0.12 0.00 -1.74 0.00 0.00 68.15 66.30 1nly h THR 32 CO -0.00 0.00 -0.19 -0.08 0.37 0.00 0.00 175.52 175.62 1nly h GLU 33 N -1.05 -0.03 -0.57 6.66 4.57 -0.46 -0.98 114.58 122.72 1nly h GLU 33 Ca -0.07 0.00 0.06 0.00 -1.18 0.00 0.00 59.36 58.17 1nly h GLU 33 Cb 0.90 0.01 -0.05 0.00 -0.16 0.00 0.00 28.75 29.44 1nly h GLU 33 CO -0.04 -0.02 0.29 1.49 -1.18 0.00 0.00 179.01 179.55 1nly h GLU 34 N -0.03 0.52 0.00 1.92 4.81 0.16 -2.10 114.58 119.86 1nly h GLU 34 Ca 0.29 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 59.49 1nly h GLU 34 Cb 0.48 -0.12 0.00 0.00 0.63 0.00 0.00 28.75 29.75 1nly h GLU 34 CO -0.66 0.35 0.00 1.28 -0.73 0.00 0.00 179.01 179.25 1nly n LEU 35 N -4.88 1.17 -1.11 1.64 4.32 0.23 -4.61 117.00 113.76 1nly n LEU 35 Ca 0.06 0.10 0.03 0.00 -0.02 0.00 0.00 56.01 56.18 1nly n LEU 35 Cb 0.17 -0.17 0.18 0.00 -1.62 0.00 0.00 43.42 41.98 1nly n LEU 35 CO 0.28 -0.17 0.52 0.49 -1.22 0.00 0.00 177.39 177.29 1nly n PHE 36 N -1.35 0.91 0.03 -1.77 3.01 -0.47 -4.45 117.46 113.37 1nly n PHE 36 Ca 0.00 -0.32 -0.10 0.00 1.01 0.00 0.00 57.45 58.04 1nly n PHE 36 Cb 0.00 -0.28 -0.04 0.00 -0.01 0.00 0.00 39.48 39.14 1nly n PHE 36 CO 0.00 0.00 0.00 0.78 1.01 0.00 0.00 176.76 178.55 1nly h GLY 37 N 4.57 -0.07 0.55 1.37 0.00 -0.97 -1.28 103.07 107.24 1nly h GLY 37 Ca 0.00 0.13 0.01 0.00 0.00 0.00 0.00 47.33 47.47 1nly h GLY 37 CO 0.22 -0.12 -0.29 -0.55 0.00 0.00 0.00 176.54 175.80 1nly h ASP 38 N -0.16 -0.82 -0.88 0.19 3.32 -1.79 -2.89 116.42 113.40 1nly h ASP 38 Ca 0.06 0.09 0.05 0.00 0.02 0.00 0.00 57.03 57.24 1nly h ASP 38 Cb 0.24 0.30 -0.06 0.00 0.22 0.00 0.00 39.33 40.03 1nly h ASP 38 CO -0.15 -0.39 0.56 -0.26 -1.72 0.00 0.00 179.24 177.28 1nly h PHE 39 N -0.54 1.04 0.00 4.55 0.05 -1.86 -1.69 116.94 118.49 1nly h PHE 39 Ca 0.02 0.03 -0.01 0.00 3.82 0.00 0.00 57.97 61.83 1nly h PHE 39 Cb 0.54 -0.34 -0.00 0.00 2.00 0.00 0.00 35.95 38.15 1nly h PHE 39 CO -0.24 0.57 -0.05 -0.07 -0.18 0.00 0.00 178.31 178.35 1nly h LEU 40 N 1.06 0.00 -6.91 1.54 3.38 -1.05 -3.45 115.31 109.87 1nly h LEU 40 Ca 0.36 0.00 -0.60 0.00 0.09 0.00 0.00 57.88 57.73 1nly h LEU 40 Cb 0.08 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.82 1nly h LEU 40 CO -0.14 0.05 2.23 0.29 0.09 0.00 0.00 178.44 180.96 1nly n LYS 41 N -4.01 2.14 -4.15 1.13 5.02 -0.64 -5.10 118.16 112.56 1nly n LYS 41 Ca -0.03 -2.41 -0.13 0.00 -2.02 0.00 0.00 58.31 53.73 1nly n LYS 41 Cb 0.13 -3.28 -0.11 0.00 -0.02 0.00 0.00 35.03 31.76 1nly n LYS 41 CO 0.00 0.00 0.00 -2.00 -0.52 0.00 0.00 177.40 174.88 1nly s GLU 43 N 4.74 0.77 -1.49 1.97 2.12 -1.26 -5.12 118.70 120.43 1nly s GLU 43 Ca 0.57 -1.13 -0.13 0.00 0.36 0.00 0.00 54.97 54.63 1nly s GLU 43 Cb 0.09 -0.35 0.10 0.00 0.26 0.00 0.00 34.13 34.23 1nly s GLU 43 CO 0.06 0.04 0.73 0.09 -0.54 0.00 0.00 175.26 175.64 1nly n ASN 44 N 0.54 -4.03 -4.84 -1.70 3.02 -1.26 -4.93 115.26 102.06 1nly n ASN 44 Ca -0.16 -0.68 -0.22 0.00 -0.03 0.00 0.00 54.58 53.50 1nly n ASN 44 Cb 0.58 -3.28 -0.04 0.00 -0.61 0.00 0.00 39.78 36.43 1nly n ASN 44 CO 0.00 0.00 0.00 0.27 -2.62 0.00 0.00 177.26 174.91 1nly s ILE 45 N -3.14 4.43 0.00 2.41 -4.36 -1.26 0.69 121.20 119.96 1nly s ILE 45 Ca 0.58 -1.37 0.00 0.00 -0.26 0.00 0.00 60.65 59.59 1nly s ILE 45 Cb -0.30 -3.42 0.00 0.00 1.25 0.00 0.00 42.46 39.99 1nly s ILE 45 CO 0.71 -0.34 0.00 1.07 0.24 0.00 0.00 174.94 176.63 1nly n THR 46 N -1.21 0.00 -3.54 8.37 5.66 0.10 -4.72 114.28 118.94 1nly n THR 46 Ca -0.07 -0.14 -0.16 0.00 -3.05 0.00 0.00 64.05 60.62 1nly n THR 46 Cb 0.58 0.61 -0.06 0.00 -1.55 0.00 0.00 70.33 69.92 1nly n THR 46 CO 0.00 0.00 0.00 -0.70 -3.05 0.00 0.00 175.07 171.32 1nly s GLU 47 N -1.05 1.04 -0.15 1.09 2.56 -1.20 -2.07 118.70 118.91 1nly s GLU 47 Ca 0.00 0.06 -0.01 0.00 0.00 0.00 0.00 54.97 55.01 1nly s GLU 47 Cb 0.00 0.49 0.04 0.00 2.00 0.00 0.00 34.13 36.66 1nly s GLU 47 CO 0.00 -0.35 -0.01 0.42 -0.56 0.00 0.00 175.26 174.76 1nly s ILE 48 N -1.69 0.74 0.22 -3.70 1.01 -0.57 -1.48 121.20 115.72 1nly s ILE 48 Ca -0.09 -0.42 0.10 0.00 0.00 0.00 0.00 60.65 60.24 1nly s ILE 48 Cb -0.01 -1.01 -0.04 0.00 0.01 0.00 0.00 42.46 41.40 1nly s ILE 48 CO 0.05 0.05 -0.14 0.00 0.00 0.00 0.00 174.94 174.91 1nly s TYR 50 N -1.96 0.18 -0.42 0.00 5.04 0.25 -1.72 117.35 118.72 1nly s TYR 50 Ca 0.26 0.15 0.05 0.00 -2.44 0.00 0.00 57.07 55.09 1nly s TYR 50 Cb -0.07 -0.50 0.59 0.00 0.35 0.00 0.00 41.96 42.33 1nly s TYR 50 CO 0.15 -0.20 1.76 0.09 -1.34 0.00 0.00 175.55 176.01 1nly n ASN 51 N 5.05 3.76 -4.39 4.32 5.03 -1.26 -1.01 115.26 126.76 1nly n ASN 51 Ca -0.08 -3.69 -0.40 0.00 0.87 0.00 0.00 54.58 51.28 1nly n ASN 51 Cb 0.50 -0.77 -0.06 0.00 -1.02 0.00 0.00 39.78 38.43 1nly n ASN 51 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1nly n GLY 52 N -1.11 -0.41 1.26 7.41 0.00 -1.16 -4.72 105.19 106.46 1nly n GLY 52 Ca 0.51 0.10 0.04 0.00 0.00 0.00 0.00 46.02 46.67 1nly n GLY 52 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1nly n ASN 53 N -2.57 1.40 -0.25 1.61 4.05 -1.26 -4.41 115.26 113.83 1nly n ASN 53 Ca 0.08 -2.73 -0.03 0.00 0.45 0.00 0.00 54.58 52.35 1nly n ASN 53 Cb 0.48 -0.39 -0.01 0.00 1.23 0.00 0.00 39.78 41.08 1nly n ASN 53 CO 0.00 0.00 0.00 0.29 -3.05 0.00 0.00 177.26 174.50 1nly n LYS 54 N -0.16 -1.44 -4.70 1.20 4.76 -1.26 -4.99 118.16 111.57 1nly n LYS 54 Ca 0.12 0.52 -0.25 0.00 -2.87 0.00 0.00 58.31 55.83 1nly n LYS 54 Cb 0.96 -4.67 -0.16 0.00 -1.84 0.00 0.00 35.03 29.32 1nly n LYS 54 CO 0.00 0.00 0.00 0.08 -1.37 0.00 0.00 177.40 176.11 1nly s VAL 55 N -1.51 1.25 -0.25 -0.18 1.01 -1.26 -1.31 120.40 118.16 1nly s VAL 55 Ca 0.00 -0.60 -0.09 0.00 0.00 0.00 0.00 61.98 61.30 1nly s VAL 55 Cb 0.00 -1.10 -0.04 0.00 0.00 0.00 0.00 36.38 35.24 1nly s VAL 55 CO 0.00 0.37 0.11 -0.69 0.00 0.00 0.00 175.10 174.89 1nly s VAL 56 N 0.27 4.76 -0.25 2.92 1.01 0.12 -4.15 120.40 125.09 1nly s VAL 56 Ca -0.08 -0.02 -0.11 0.00 0.00 0.00 0.00 61.98 61.78 1nly s VAL 56 Cb -0.13 -3.22 -0.05 0.00 0.00 0.00 0.00 36.38 32.98 1nly s VAL 56 CO 0.03 0.34 0.16 0.26 0.00 0.00 0.00 175.10 175.89 1nly s TRP 57 N 1.39 3.30 -0.09 5.22 0.52 -0.70 0.31 118.94 128.88 1nly s TRP 57 Ca 0.06 0.20 0.03 0.00 0.02 0.00 0.00 56.10 56.41 1nly s TRP 57 Cb -0.15 -2.29 -0.01 0.00 -1.15 0.00 0.00 33.47 29.87 1nly s TRP 57 CO 0.05 0.02 -0.20 0.08 0.02 0.00 0.00 176.95 176.93 1nly s VAL 58 N 1.18 2.49 -0.23 4.03 1.01 0.33 -0.04 120.40 129.17 1nly s VAL 58 Ca 0.07 -0.88 -0.11 0.00 0.00 0.00 0.00 61.98 61.06 1nly s VAL 58 Cb -0.14 -1.98 -0.05 0.00 0.00 0.00 0.00 36.38 34.22 1nly s VAL 58 CO 0.06 0.56 0.18 -0.22 0.00 0.00 0.00 175.10 175.67 1nly s LEU 59 N 0.06 4.13 0.21 3.92 2.96 -0.55 -0.23 118.68 129.19 1nly s LEU 59 Ca -0.08 0.17 0.02 0.00 -0.22 0.00 0.00 54.13 54.02 1nly s LEU 59 Cb -0.15 -2.14 -0.03 0.00 0.50 0.00 0.00 46.19 44.36 1nly s LEU 59 CO 0.05 0.07 0.35 -0.54 -1.32 0.00 0.00 176.35 174.97 1nly s LYS 60 N 0.98 3.46 0.44 1.98 1.02 -0.10 0.02 119.74 127.53 1nly s LYS 60 Ca 0.09 -0.57 0.24 0.00 0.02 0.00 0.00 55.97 55.75 1nly s LYS 60 Cb -0.13 -2.89 1.25 0.00 -0.52 0.00 0.00 37.83 35.54 1nly s LYS 60 CO 0.04 0.43 1.76 -0.91 -0.92 0.00 0.00 175.35 175.75 1nly h ASN 61 N 1.67 0.31 0.00 2.83 -0.26 -0.03 0.52 115.58 120.63 1nly h ASN 61 Ca -0.50 0.07 0.00 0.00 -0.56 0.00 0.00 56.30 55.31 1nly h ASN 61 Cb 1.21 0.02 0.00 0.00 -1.06 0.00 0.00 38.32 38.49 1nly h ASN 61 CO 0.65 0.03 0.00 -0.46 -1.06 0.00 0.00 177.43 176.59 1nly n ASN 62 N -4.53 0.00 -0.36 5.81 6.94 -1.26 -4.82 115.26 117.04 1nly n ASN 62 Ca 0.27 -1.22 -0.05 0.00 -0.02 0.00 0.00 54.58 53.57 1nly n ASN 62 Cb 1.04 0.00 -0.02 0.00 -2.36 0.00 0.00 39.78 38.44 1nly n ASN 62 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1nly n GLY 63 N 0.25 0.74 3.70 4.83 0.00 0.18 -5.02 105.19 109.87 1nly n GLY 63 Ca 0.04 -0.68 -0.35 0.00 0.00 0.00 0.00 46.02 45.03 1nly n GLY 63 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1nly s GLU 64 N -2.17 3.56 -0.16 1.61 2.12 -1.22 -4.87 118.70 117.57 1nly s GLU 64 Ca 0.00 -0.31 -0.18 0.00 0.36 0.00 0.00 54.97 54.84 1nly s GLU 64 Cb 0.00 -3.08 -0.04 0.00 0.26 0.00 0.00 34.13 31.27 1nly s GLU 64 CO 0.00 0.52 0.49 -1.58 -0.54 0.00 0.00 175.26 174.14 1nly s TRP 65 N -0.33 3.44 -0.19 5.30 0.52 -1.26 -0.93 118.94 125.50 1nly s TRP 65 Ca 0.09 0.81 0.01 0.00 0.02 0.00 0.00 56.10 57.03 1nly s TRP 65 Cb -0.12 -2.60 0.02 0.00 -1.15 0.00 0.00 33.47 29.62 1nly s TRP 65 CO 0.02 0.03 -0.19 -1.14 0.02 0.00 0.00 176.95 175.68 1nly s GLN 66 N 1.14 2.93 0.24 4.98 0.74 0.68 -4.95 119.66 125.44 1nly s GLN 66 Ca 0.24 -0.86 -0.13 0.00 0.05 0.00 0.00 55.36 54.66 1nly s GLN 66 Cb -0.15 -2.59 -0.08 0.00 1.10 0.00 0.00 33.01 31.29 1nly s GLN 66 CO 0.10 -0.23 0.63 -1.25 -0.55 0.00 0.00 175.29 173.98 1nly s PRO 67 N 1.28 3.95 -0.01 1.67 0.04 -1.26 -0.51 135.00 140.15 1nly s PRO 67 Ca 0.04 0.51 0.01 0.00 0.04 0.00 0.00 61.00 61.61 1nly s PRO 67 Cb -0.13 -2.65 0.00 0.00 0.04 0.00 0.00 34.50 31.76 1nly s PRO 67 CO -0.12 0.30 -0.05 -0.06 0.04 0.00 0.00 177.00 177.11 1nly s PHE 68 N -1.78 0.51 -0.07 0.56 0.40 0.15 -4.95 117.98 112.79 1nly s PHE 68 Ca 0.47 -0.10 -0.23 0.00 -0.60 0.00 0.00 56.93 56.47 1nly s PHE 68 Cb -0.12 -0.38 -0.04 0.00 0.51 0.00 0.00 43.02 42.99 1nly s PHE 68 CO 0.19 -0.05 0.70 0.34 0.70 0.00 0.00 175.22 177.10 1nly s ASP 69 N 0.19 6.98 -0.07 1.36 -1.08 -1.26 0.14 116.67 122.93 1nly s ASP 69 Ca -0.02 1.17 0.13 0.00 -0.52 0.00 0.00 52.55 53.32 1nly s ASP 69 Cb -0.06 -2.41 0.26 0.00 -1.46 0.00 0.00 42.92 39.25 1nly s ASP 69 CO -0.00 -0.13 1.12 1.33 0.52 0.00 0.00 175.17 178.01 1nly n VAL 70 N 3.83 0.81 -0.30 1.11 0.24 -0.42 -4.83 118.33 118.76 1nly n VAL 70 Ca -0.01 -1.37 0.19 0.00 -2.04 0.00 0.00 64.34 61.11 1nly n VAL 70 Cb 0.51 0.35 0.47 0.00 -1.47 0.00 0.00 33.84 33.70 1nly n VAL 70 CO 0.00 0.00 0.00 0.03 -2.14 0.00 0.00 176.83 174.72 1nly h ARG 71 N 0.47 0.46 -2.42 7.34 3.08 -1.92 -2.77 114.38 118.61 1nly h ARG 71 Ca -0.06 -0.03 -0.69 0.00 0.07 0.00 0.00 59.98 59.27 1nly h ARG 71 Cb 1.38 -0.10 -0.36 0.00 0.08 0.00 0.00 29.97 30.97 1nly h ARG 71 CO 0.03 0.31 0.05 -0.25 -1.07 0.00 0.00 179.97 179.04 1nly n ASP 72 N -4.61 5.26 -3.75 7.04 8.00 -1.26 -4.97 116.55 122.26 1nly n ASP 72 Ca 0.23 -3.53 -0.12 0.00 0.71 0.00 0.00 54.79 52.07 1nly n ASP 72 Cb 0.75 -0.90 -0.12 0.00 -0.02 0.00 0.00 41.12 40.82 1nly n ASP 72 CO 0.00 0.00 0.00 -0.13 -0.39 0.00 0.00 177.20 176.68 1nly s ARG 73 N -3.08 0.24 0.15 -1.24 0.52 -1.05 -5.05 118.95 109.45 1nly s ARG 73 Ca 0.39 0.48 -0.11 0.00 -0.52 0.00 0.00 55.73 55.98 1nly s ARG 73 Cb 0.15 -0.03 -0.02 0.00 0.52 0.00 0.00 34.95 35.58 1nly s ARG 73 CO -0.02 -0.12 1.51 -0.22 0.02 0.00 0.00 175.30 176.47 1nly h LYS 74 N 6.72 0.95 0.00 3.54 1.63 -1.93 -2.99 116.57 124.49 1nly h LYS 74 Ca -0.36 -0.44 0.00 0.00 -0.85 0.00 0.00 60.65 59.00 1nly h LYS 74 Cb 1.17 -0.01 0.00 0.00 -0.60 0.00 0.00 32.23 32.79 1nly h LYS 74 CO 0.36 1.11 0.20 0.00 -3.45 0.00 0.00 179.45 177.67 1nly n ALA 75 N -2.52 0.62 -2.53 5.00 0.00 -1.26 -1.43 120.51 118.39 1nly n ALA 75 Ca -0.01 0.01 -0.28 0.00 0.00 0.00 0.00 53.44 53.17 1nly n ALA 75 Cb 0.49 -0.64 -0.00 0.00 0.00 0.00 0.00 19.45 19.29 1nly n ALA 75 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 1nly n PHE 76 N -1.39 3.50 -4.21 0.00 3.01 -1.13 -4.25 117.46 112.98 1nly n PHE 76 Ca -0.00 -3.22 -0.34 0.00 1.01 0.00 0.00 57.45 54.90 1nly n PHE 76 Cb 0.21 -0.20 -0.08 0.00 -0.01 0.00 0.00 39.48 39.39 1nly n PHE 76 CO 0.00 0.00 0.00 -1.12 1.01 0.00 0.00 176.76 176.65 1nly s SER 77 N -3.40 5.49 0.36 4.37 0.01 -0.51 -4.94 113.70 115.08 1nly s SER 77 Ca 0.48 0.15 0.17 0.00 1.31 0.00 0.00 55.95 58.07 1nly s SER 77 Cb 0.38 -1.56 1.16 0.00 0.21 0.00 0.00 66.02 66.21 1nly s SER 77 CO -0.19 0.33 1.66 -0.07 0.41 0.00 0.00 173.24 175.37 1nly h LEU 78 N 4.61 0.46 0.11 2.44 3.38 -1.95 0.37 115.31 124.73 1nly h LEU 78 Ca -0.50 0.19 -0.01 0.00 0.09 0.00 0.00 57.88 57.65 1nly h LEU 78 Cb 1.19 0.14 0.00 0.00 0.09 0.00 0.00 40.66 42.08 1nly h LEU 78 CO 0.58 -0.16 -0.05 0.77 0.09 0.00 0.00 178.44 179.67 1nly h SER 79 N 0.27 -0.12 -0.71 -0.43 4.64 -1.95 -3.19 113.55 112.05 1nly h SER 79 Ca 0.75 -0.44 0.17 0.00 -0.47 0.00 0.00 61.79 61.80 1nly h SER 79 Cb 1.83 0.03 -0.04 0.00 -0.31 0.00 0.00 62.40 63.92 1nly h SER 79 CO -0.58 0.44 0.49 0.03 -0.87 0.00 0.00 176.83 176.33 1nly h ARG 80 N -0.76 0.22 -0.92 4.77 2.47 -1.27 -0.76 114.38 118.13 1nly h ARG 80 Ca -0.02 -0.01 0.00 0.00 -1.26 0.00 0.00 59.98 58.69 1nly h ARG 80 Cb 0.56 -0.05 0.00 0.00 -1.65 0.00 0.00 29.97 28.83 1nly h ARG 80 CO 0.02 0.14 0.00 1.28 0.56 0.00 0.00 179.97 181.98 1nly n LEU 81 N -4.42 1.25 0.00 3.04 4.77 0.11 -3.11 117.00 118.63 1nly n LEU 81 Ca 0.14 -0.62 0.00 0.00 -0.03 0.00 0.00 56.01 55.49 1nly n LEU 81 Cb 0.62 -0.36 0.00 0.00 -2.33 0.00 0.00 43.42 41.35 1nly n LEU 81 CO 0.35 0.25 0.00 1.57 -1.33 0.00 0.00 177.39 178.22 1nly n HIS 83 N 0.32 0.00 -0.15 -1.77 -0.00 -0.29 -0.58 115.22 112.75 1nly n HIS 83 Ca 0.00 0.00 -0.12 0.00 -0.00 0.00 0.00 57.72 57.60 1nly n HIS 83 Cb 0.25 0.00 -0.01 0.00 -0.00 0.00 0.00 29.99 30.23 1nly n HIS 83 CO 0.00 0.00 0.00 0.35 -0.00 0.00 0.00 176.34 176.69 1nly h PHE 84 N 0.00 1.11 0.46 1.57 3.57 -1.80 -1.01 116.94 120.84 1nly h PHE 84 Ca 0.00 -0.27 -0.01 0.00 3.53 0.00 0.00 57.97 61.22 1nly h PHE 84 Cb 0.00 -0.26 -0.02 0.00 2.79 0.00 0.00 35.95 38.47 1nly h PHE 84 CO 0.00 1.09 -0.39 0.00 -2.23 0.00 0.00 178.31 176.77 1nly h ALA 85 N 0.85 -0.89 -0.98 2.41 0.00 -1.14 -1.49 119.26 118.01 1nly h ALA 85 Ca 0.10 -0.15 0.11 0.00 0.00 0.00 0.00 54.91 54.97 1nly h ALA 85 Cb 0.79 0.54 -0.08 0.00 0.00 0.00 0.00 17.79 19.04 1nly h ALA 85 CO 0.07 -1.03 0.62 0.00 0.00 0.00 0.00 179.25 178.91 1nly h ARG 86 N -0.85 0.95 -0.20 0.00 3.08 -1.81 0.23 114.38 115.78 1nly h ARG 86 Ca -0.05 -0.06 0.04 0.00 0.07 0.00 0.00 59.98 59.99 1nly h ARG 86 Cb 0.74 -0.22 -0.01 0.00 0.08 0.00 0.00 29.97 30.56 1nly h ARG 86 CO -0.02 0.63 0.14 0.00 -1.07 0.00 0.00 179.97 179.65 1nly h ALA 89 N 0.37 -0.86 -1.07 0.00 0.00 -0.65 -2.92 119.26 114.14 1nly h ALA 89 Ca -0.03 -0.01 0.36 0.00 0.00 0.00 0.00 54.91 55.23 1nly h ALA 89 Cb 0.99 0.18 -0.15 0.00 0.00 0.00 0.00 17.79 18.82 1nly h ALA 89 CO 0.06 -0.86 0.63 0.66 0.00 0.00 0.00 179.25 179.74 1nly h SER 90 N -0.05 0.43 -0.04 0.00 4.64 -0.83 0.31 113.55 118.01 1nly h SER 90 Ca -0.00 0.19 0.03 0.00 -0.47 0.00 0.00 61.79 61.54 1nly h SER 90 Cb 0.04 0.15 -0.04 0.00 -0.31 0.00 0.00 62.40 62.24 1nly h SER 90 CO 0.00 -0.18 -0.21 0.15 -0.87 0.00 0.00 176.83 175.72 1nly h PHE 91 N 0.23 -0.55 -0.25 4.77 3.57 -1.31 0.14 116.94 123.53 1nly h PHE 91 Ca 0.76 0.02 0.00 0.00 3.53 0.00 0.00 57.97 62.28 1nly h PHE 91 Cb 1.94 0.25 0.00 0.00 2.79 0.00 0.00 35.95 40.93 1nly h PHE 91 CO -0.01 -0.29 0.00 1.63 -2.23 0.00 0.00 178.31 177.41 1nly n LYS 92 N -5.34 2.71 -3.60 1.11 4.76 -0.07 -4.90 118.16 112.83 1nly n LYS 92 Ca -0.04 -1.38 -0.28 0.00 -2.87 0.00 0.00 58.31 53.74 1nly n LYS 92 Cb 0.25 -1.84 0.04 0.00 -1.84 0.00 0.00 35.03 31.65 1nly n LYS 92 CO 0.00 0.00 0.00 1.63 -1.37 0.00 0.00 177.40 177.66 1nly n LYS 93 N 0.27 -1.35 -4.23 1.97 5.02 0.49 -5.01 118.16 115.32 1nly n LYS 93 Ca 0.12 0.56 -0.15 0.00 -2.02 0.00 0.00 58.31 56.82 1nly n LYS 93 Cb 0.67 -4.34 -0.09 0.00 -0.02 0.00 0.00 35.03 31.25 1nly n LYS 93 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 1nly s LYS 94 N -5.62 1.44 0.08 1.97 1.02 -0.22 -4.93 119.74 113.48 1nly s LYS 94 Ca 0.44 -1.78 0.09 0.00 0.02 0.00 0.00 55.97 54.74 1nly s LYS 94 Cb -0.14 0.30 -0.03 0.00 -0.52 0.00 0.00 37.83 37.43 1nly s LYS 94 CO 0.84 -0.51 -0.23 -0.08 -0.92 0.00 0.00 175.35 174.46 1nly s THR 95 N -3.85 1.86 -0.07 2.17 -1.32 -1.26 -2.19 115.64 110.98 1nly s THR 95 Ca 0.39 -1.44 -0.01 0.00 -1.21 0.00 0.00 61.69 59.42 1nly s THR 95 Cb 0.05 -1.64 0.03 0.00 -1.51 0.00 0.00 72.50 69.42 1nly s THR 95 CO 0.18 0.12 -0.01 -0.51 -2.21 0.00 0.00 174.62 172.19 1nly s ILE 96 N -0.97 0.46 0.15 5.08 2.07 -1.26 -4.82 121.20 121.91 1nly s ILE 96 Ca 0.09 0.05 -0.00 0.00 -1.41 0.00 0.00 60.65 59.37 1nly s ILE 96 Cb -0.10 -0.58 0.00 0.00 0.13 0.00 0.00 42.46 41.91 1nly s ILE 96 CO 0.03 0.26 0.20 -0.90 -1.91 0.00 0.00 174.94 172.63 1nly n ASP 97 N 4.96 -0.55 -1.73 4.50 5.75 0.20 -4.89 116.55 124.79 1nly n ASP 97 Ca -0.10 -1.83 0.06 0.00 -0.01 0.00 0.00 54.79 52.91 1nly n ASP 97 Cb 0.50 1.05 0.36 0.00 -1.03 0.00 0.00 41.12 41.99 1nly n ASP 97 CO 0.00 0.00 0.00 0.59 -0.11 0.00 0.00 177.20 177.68 1nly n ASN 98 N -1.98 5.18 0.00 -1.12 5.03 -1.26 -2.32 115.26 118.79 1nly n ASN 98 Ca 0.01 -2.82 0.00 0.00 0.87 0.00 0.00 54.58 52.63 1nly n ASN 98 Cb 0.25 -0.67 0.00 0.00 -1.02 0.00 0.00 39.78 38.35 1nly n ASN 98 CO 0.00 0.00 0.00 -1.22 -1.83 0.00 0.00 177.26 174.21 1nly n TYR 99 N 0.55 0.00 0.09 3.10 4.02 -1.26 -4.30 117.16 119.36 1nly n TYR 99 Ca 0.25 0.00 -0.04 0.00 -0.01 0.00 0.00 57.90 58.10 1nly n TYR 99 Cb 1.09 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 40.41 1nly n TYR 99 CO 0.00 0.00 0.00 0.93 -1.01 0.00 0.00 176.86 176.78 1nly h GLU 100 N 0.00 0.00 -2.21 -0.72 4.39 -2.00 -3.38 114.58 110.66 1nly h GLU 100 Ca 0.00 0.00 -0.60 0.00 0.34 0.00 0.00 59.36 59.10 1nly h GLU 100 Cb 0.00 0.00 -0.42 0.00 -0.10 0.00 0.00 28.75 28.23 1nly h GLU 100 CO 0.00 0.82 -0.58 0.09 -1.16 0.00 0.00 179.01 178.18 1nly n ASN 101 N -3.49 3.93 0.06 1.42 3.02 -1.26 -4.85 115.26 114.09 1nly n ASN 101 Ca -0.00 -3.49 -0.12 0.00 -0.03 0.00 0.00 54.58 50.94 1nly n ASN 101 Cb 0.81 -0.66 -0.13 0.00 -0.61 0.00 0.00 39.78 39.18 1nly n ASN 101 CO 0.00 0.00 0.00 1.55 -2.62 0.00 0.00 177.26 176.19 1nly h PRO 102 N 3.99 0.14 -6.25 3.52 0.13 -1.64 0.58 132.00 132.48 1nly h PRO 102 Ca 0.19 -0.24 -0.57 0.00 -0.87 0.00 0.00 66.00 64.51 1nly h PRO 102 Cb 0.63 0.09 -0.04 0.00 0.13 0.00 0.00 31.00 31.82 1nly h PRO 102 CO 0.84 1.02 -0.20 0.42 -0.23 0.00 0.00 178.00 179.86 1nly s ILE 103 N -2.65 5.03 0.02 -3.56 1.01 -1.26 -1.52 121.20 118.26 1nly s ILE 103 Ca -0.04 0.43 -0.09 0.00 0.00 0.00 0.00 60.65 60.95 1nly s ILE 103 Cb 0.08 -3.65 0.00 0.00 0.01 0.00 0.00 42.46 38.91 1nly s ILE 103 CO 0.85 0.13 0.17 -0.22 0.00 0.00 0.00 174.94 175.87 1nly s LEU 104 N -2.33 1.44 -0.07 2.97 2.96 0.47 -4.94 118.68 119.17 1nly s LEU 104 Ca 0.40 -0.29 -0.03 0.00 -0.22 0.00 0.00 54.13 53.98 1nly s LEU 104 Cb -0.13 0.85 0.04 0.00 0.50 0.00 0.00 46.19 47.45 1nly s LEU 104 CO 0.21 -0.48 0.14 -0.44 -1.32 0.00 0.00 176.35 174.45 1nly s SER 105 N -1.79 0.26 0.00 3.68 0.01 -1.26 -2.08 113.70 112.52 1nly s SER 105 Ca -0.09 0.28 0.00 0.00 1.31 0.00 0.00 55.95 57.45 1nly s SER 105 Cb -0.04 0.18 0.00 0.00 0.21 0.00 0.00 66.02 66.37 1nly s SER 105 CO -0.01 -0.19 0.00 -0.24 0.41 0.00 0.00 173.24 173.21 1nly n SER 106 N 4.64 0.00 -4.07 2.44 2.88 -0.64 -5.00 113.62 113.88 1nly n SER 106 Ca -0.18 0.00 -0.11 0.00 -1.33 0.00 0.00 58.87 57.25 1nly n SER 106 Cb 0.51 0.00 -0.08 0.00 -0.75 0.00 0.00 64.21 63.89 1nly n SER 106 CO 0.00 0.00 0.00 0.20 -1.23 0.00 0.00 175.04 174.01 1nly s ASN 107 N 1.96 0.12 0.49 -3.46 -0.87 -1.26 -0.85 114.94 111.07 1nly s ASN 107 Ca 0.00 -1.23 0.08 0.00 -1.57 0.00 0.00 52.86 50.15 1nly s ASN 107 Cb 0.00 0.47 0.04 0.00 -0.02 0.00 0.00 41.25 41.75 1nly s ASN 107 CO 0.00 -0.98 0.67 -0.76 -2.57 0.00 0.00 177.10 173.47 1nly s LEU 108 N -3.11 3.41 0.35 0.60 1.43 -0.82 -4.86 118.68 115.67 1nly s LEU 108 Ca 0.32 -0.58 0.14 0.00 -1.03 0.00 0.00 54.13 52.98 1nly s LEU 108 Cb 0.04 -2.23 1.02 0.00 0.03 0.00 0.00 46.19 45.05 1nly s LEU 108 CO 0.12 -1.03 1.70 0.00 0.23 0.00 0.00 176.35 177.37 1nly h ALA 109 N 0.41 1.97 -0.00 4.21 0.00 -1.91 -1.50 119.26 122.44 1nly h ALA 109 Ca -0.36 0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.69 1nly h ALA 109 Cb 1.28 0.08 0.00 0.00 0.00 0.00 0.00 17.79 19.15 1nly h ALA 109 CO 0.43 -0.50 -0.53 0.09 0.00 0.00 0.00 179.25 178.75 1nly n ASN 110 N -4.90 0.66 0.00 0.00 5.03 -1.26 -4.98 115.26 109.81 1nly n ASN 110 Ca 0.29 -0.45 0.00 0.00 0.87 0.00 0.00 54.58 55.29 1nly n ASN 110 Cb 0.89 0.34 0.00 0.00 -1.02 0.00 0.00 39.78 39.99 1nly n ASN 110 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1nly n GLY 111 N 1.48 1.34 3.76 7.41 0.00 -0.56 -4.96 105.19 113.65 1nly n GLY 111 Ca 0.06 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.67 1nly n GLY 111 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1nly s GLU 112 N -0.09 4.47 0.25 1.61 8.01 -1.26 -4.68 118.70 127.00 1nly s GLU 112 Ca 0.00 2.02 -0.30 0.00 0.01 0.00 0.00 54.97 56.70 1nly s GLU 112 Cb 0.00 -3.15 -0.10 0.00 -4.31 0.00 0.00 34.13 26.57 1nly s GLU 112 CO 0.00 -0.07 1.39 1.03 0.01 0.00 0.00 175.26 177.63 1nly s ARG 113 N -1.17 4.31 -0.04 1.61 0.52 -1.24 -1.95 118.95 120.99 1nly s ARG 113 Ca 0.50 2.24 0.04 0.00 -0.52 0.00 0.00 55.73 57.98 1nly s ARG 113 Cb -0.36 -3.12 -0.00 0.00 0.52 0.00 0.00 34.95 31.99 1nly s ARG 113 CO 0.44 -0.35 -0.16 0.08 0.02 0.00 0.00 175.30 175.34 1nly s VAL 114 N -0.15 1.31 -0.25 3.52 1.01 -0.03 -1.19 120.40 124.63 1nly s VAL 114 Ca 0.57 -0.65 0.03 0.00 0.00 0.00 0.00 61.98 61.92 1nly s VAL 114 Cb -0.40 -1.13 0.05 0.00 0.00 0.00 0.00 36.38 34.90 1nly s VAL 114 CO 0.44 0.38 -0.12 -1.58 0.00 0.00 0.00 175.10 174.22 1nly s GLN 115 N 0.06 2.33 -0.11 2.72 2.00 -0.49 -1.62 119.66 124.55 1nly s GLN 115 Ca -0.04 -1.25 0.02 0.00 -2.00 0.00 0.00 55.36 52.09 1nly s GLN 115 Cb -0.11 -2.82 -0.01 0.00 0.80 0.00 0.00 33.01 30.86 1nly s GLN 115 CO 0.02 -0.52 -0.16 0.42 -0.50 0.00 0.00 175.29 174.56 1nly s ILE 116 N 1.14 2.83 -0.03 -2.34 1.01 -0.88 -0.63 121.20 122.30 1nly s ILE 116 Ca -0.07 -0.76 0.04 0.00 0.00 0.00 0.00 60.65 59.87 1nly s ILE 116 Cb -0.19 -2.15 -0.00 0.00 0.01 0.00 0.00 42.46 40.13 1nly s ILE 116 CO -0.06 0.54 -0.14 -0.69 0.00 0.00 0.00 174.94 174.59 1nly s VAL 117 N 0.12 1.19 0.34 2.92 1.01 0.13 -0.40 120.40 125.72 1nly s VAL 117 Ca -0.08 -0.61 0.04 0.00 0.00 0.00 0.00 61.98 61.34 1nly s VAL 117 Cb -0.15 -1.02 -0.06 0.00 0.00 0.00 0.00 36.38 35.15 1nly s VAL 117 CO 0.05 0.35 0.07 -0.76 0.00 0.00 0.00 175.10 174.81 1nly s LEU 118 N -0.05 2.14 0.60 3.92 1.43 -0.58 -1.70 118.68 124.44 1nly s LEU 118 Ca -0.01 -1.44 -0.18 0.00 -1.03 0.00 0.00 54.13 51.48 1nly s LEU 118 Cb -0.09 -0.33 -0.03 0.00 0.03 0.00 0.00 46.19 45.77 1nly s LEU 118 CO 0.01 -0.67 1.16 -0.55 0.23 0.00 0.00 176.35 176.53 1nly s SER 119 N -3.51 5.27 0.00 2.29 0.15 -1.26 -0.89 113.70 115.74 1nly s SER 119 Ca 0.34 2.24 0.20 0.00 0.70 0.00 0.00 55.95 59.42 1nly s SER 119 Cb 0.07 -2.58 1.19 0.00 -1.71 0.00 0.00 66.02 62.99 1nly s SER 119 CO 0.15 -1.53 1.68 -0.81 1.20 0.00 0.00 173.24 173.93 1nly n PRO 120 N -1.75 0.86 0.10 5.44 -0.04 -1.26 -4.41 135.00 133.94 1nly n PRO 120 Ca 0.12 0.00 -0.05 0.00 -0.04 0.00 0.00 63.50 63.54 1nly n PRO 120 Cb 0.51 -1.36 0.02 0.00 -0.04 0.00 0.00 33.50 32.63 1nly n PRO 120 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 1nly h VAL 121 N 0.00 1.57 -3.62 0.52 2.07 -1.39 -3.44 116.25 111.96 1nly h VAL 121 Ca 0.00 -2.75 -0.49 0.00 0.82 0.00 0.00 66.70 64.28 1nly h VAL 121 Cb 0.00 2.49 0.04 0.00 -1.52 0.00 0.00 31.29 32.30 1nly h VAL 121 CO 0.00 0.79 0.14 0.42 0.02 0.00 0.00 177.57 178.94 1nly s THR 122 N -3.17 4.50 0.36 2.57 -4.23 -1.03 -4.97 115.64 109.68 1nly s THR 122 Ca -0.00 0.16 0.16 0.00 -1.18 0.00 0.00 61.69 60.82 1nly s THR 122 Cb 0.11 -3.73 0.36 0.00 1.34 0.00 0.00 72.50 70.58 1nly s THR 122 CO 0.79 -0.74 1.72 1.62 -0.54 0.00 0.00 174.62 177.47 1nly h VAL 123 N 0.08 0.45 -3.53 2.29 3.04 -1.90 -3.42 116.25 113.26 1nly h VAL 123 Ca -0.46 -0.14 -0.21 0.00 -1.01 0.00 0.00 66.70 64.87 1nly h VAL 123 Cb 1.22 -0.01 -0.05 0.00 -2.01 0.00 0.00 31.29 30.44 1nly h VAL 123 CO 0.61 0.08 -0.10 -0.46 -1.01 0.00 0.00 177.57 176.69 1nly n ASN 124 N -4.81 -1.07 0.00 3.17 0.23 -1.26 -5.04 115.26 106.48 1nly n ASN 124 Ca 0.28 -2.45 0.12 0.00 -0.53 0.00 0.00 54.58 52.00 1nly n ASN 124 Cb 0.90 1.99 0.70 0.00 -2.08 0.00 0.00 39.78 41.29 1nly n ASN 124 CO 0.00 0.00 0.00 -0.90 -0.93 0.00 0.00 177.26 175.43 1nly n ASP 125 N -1.73 0.00 -0.25 0.53 5.75 -1.26 -2.98 116.55 116.61 1nly n ASP 125 Ca 0.00 -1.14 0.03 0.00 -0.01 0.00 0.00 54.79 53.67 1nly n ASP 125 Cb 0.45 0.00 0.05 0.00 -1.03 0.00 0.00 41.12 40.59 1nly n ASP 125 CO 0.00 0.00 0.00 -0.62 -0.11 0.00 0.00 177.20 176.47 1nly n GLU 126 N -0.89 1.48 -3.73 0.11 1.02 -1.26 -4.95 120.64 112.41 1nly n GLU 126 Ca 0.18 -1.32 -0.37 0.00 -0.02 0.00 0.00 57.16 55.62 1nly n GLU 126 Cb 0.08 -1.11 -0.12 0.00 -0.02 0.00 0.00 31.44 30.27 1nly n GLU 126 CO 0.00 0.00 0.00 0.99 1.18 0.00 0.00 177.13 179.30 1nly s THR 127 N -0.74 4.35 -0.29 2.62 2.01 -1.16 -4.79 115.64 117.65 1nly s THR 127 Ca 0.08 -0.28 0.02 0.00 0.31 0.00 0.00 61.69 61.82 1nly s THR 127 Cb 0.05 -3.10 0.08 0.00 0.01 0.00 0.00 72.50 69.53 1nly s THR 127 CO 0.07 0.24 -0.00 -0.63 -0.69 0.00 0.00 174.62 173.61 1nly s ILE 128 N 1.60 1.80 -0.22 1.82 1.01 -1.26 -4.24 121.20 121.72 1nly s ILE 128 Ca 0.06 -1.72 -0.22 0.00 0.00 0.00 0.00 60.65 58.77 1nly s ILE 128 Cb -0.16 -2.17 -0.02 0.00 0.01 0.00 0.00 42.46 40.12 1nly s ILE 128 CO 0.04 -0.36 0.68 -0.55 0.00 0.00 0.00 174.94 174.76 1nly s SER 129 N 1.20 6.71 -0.01 3.58 0.15 -0.69 -2.98 113.70 121.66 1nly s SER 129 Ca 0.02 0.87 0.07 0.00 0.70 0.00 0.00 55.95 57.60 1nly s SER 129 Cb -0.19 -2.37 -0.02 0.00 -1.71 0.00 0.00 66.02 61.73 1nly s SER 129 CO -0.10 -0.36 -0.21 -0.63 1.20 0.00 0.00 173.24 173.14 1nly s ILE 130 N 2.27 1.70 -0.24 6.45 1.01 -0.18 0.23 121.20 132.43 1nly s ILE 130 Ca 0.30 -0.97 -0.04 0.00 0.00 0.00 0.00 60.65 59.94 1nly s ILE 130 Cb -0.16 -1.42 0.09 0.00 0.01 0.00 0.00 42.46 40.98 1nly s ILE 130 CO 0.09 0.44 0.14 -0.44 0.00 0.00 0.00 174.94 175.17 1nly s SER 131 N -0.61 2.80 -0.15 3.58 0.01 0.20 0.86 113.70 120.38 1nly s SER 131 Ca 0.08 -0.93 -0.08 0.00 1.31 0.00 0.00 55.95 56.33 1nly s SER 131 Cb -0.08 -0.17 -0.04 0.00 0.21 0.00 0.00 66.02 65.93 1nly s SER 131 CO -0.00 -0.40 0.14 -0.63 0.41 0.00 0.00 173.24 172.76 1nly s ILE 132 N 2.16 5.46 -0.30 1.44 1.01 0.55 -1.40 121.20 130.12 1nly s ILE 132 Ca 0.07 0.22 -0.10 0.00 0.00 0.00 0.00 60.65 60.83 1nly s ILE 132 Cb -0.16 -3.43 -0.02 0.00 0.01 0.00 0.00 42.46 38.86 1nly s ILE 132 CO -0.26 0.55 0.17 -0.60 0.00 0.00 0.00 174.94 174.81 1nly s ARG 133 N -0.52 3.53 -0.33 2.79 6.06 -0.33 -1.52 118.95 128.62 1nly s ARG 133 Ca 0.13 -0.60 -0.26 0.00 -2.50 0.00 0.00 55.73 52.50 1nly s ARG 133 Cb -0.12 -3.61 0.01 0.00 0.06 0.00 0.00 34.95 31.30 1nly s ARG 133 CO 0.02 -0.35 0.94 0.42 -2.50 0.00 0.00 175.30 173.83 1nly s ILE 134 N 1.67 4.61 0.65 4.11 -1.09 -0.88 -3.60 121.20 126.67 1nly s ILE 134 Ca 0.06 1.38 -0.11 0.00 -2.23 0.00 0.00 60.65 59.75 1nly s ILE 134 Cb -0.17 -4.31 0.17 0.00 -1.58 0.00 0.00 42.46 36.57 1nly s ILE 134 CO 0.08 -0.44 0.42 -0.81 -1.23 0.00 0.00 174.94 172.96 1nly n PRO 135 N 6.65 -3.03 -2.74 2.79 -0.04 -1.26 -4.81 135.00 132.56 1nly n PRO 135 Ca 0.08 -0.70 -0.42 0.00 -0.04 0.00 0.00 63.50 62.42 1nly n PRO 135 Cb 0.48 -0.84 -0.04 0.00 -0.04 0.00 0.00 33.50 33.06 1nly n PRO 135 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1nly s SER 136 N -2.58 6.31 -0.36 3.54 0.15 -1.26 -4.89 113.70 114.60 1nly s SER 136 Ca 0.31 -0.37 0.06 0.00 0.70 0.00 0.00 55.95 56.66 1nly s SER 136 Cb -0.05 -2.48 0.52 0.00 -1.71 0.00 0.00 66.02 62.31 1nly s SER 136 CO 0.26 -1.42 1.58 2.29 1.20 0.00 0.00 173.24 177.15 1nly n LYS 137 N 8.02 2.20 -3.71 5.44 2.85 -1.26 -4.80 118.16 126.89 1nly n LYS 137 Ca 0.03 -3.29 -0.11 0.00 -1.05 0.00 0.00 58.31 53.88 1nly n LYS 137 Cb 0.48 -1.99 -0.06 0.00 -0.65 0.00 0.00 35.03 32.81 1nly n LYS 137 CO 0.00 0.00 0.00 0.99 -0.05 0.00 0.00 177.40 178.34 1nly s THR 138 N -3.60 0.08 -0.22 0.58 2.01 -1.26 -5.14 115.64 108.09 1nly s THR 138 Ca 0.50 -0.64 -0.02 0.00 0.31 0.00 0.00 61.69 61.84 1nly s THR 138 Cb 0.43 -1.03 0.06 0.00 0.01 0.00 0.00 72.50 71.98 1nly s THR 138 CO 0.02 -0.36 0.02 -0.89 -0.69 0.00 0.00 174.62 172.72 1nly s THR 139 N -2.91 0.83 -0.11 -0.82 2.01 -1.26 -4.99 115.64 108.39 1nly s THR 139 Ca -0.02 -0.83 -0.08 0.00 0.31 0.00 0.00 61.69 61.06 1nly s THR 139 Cb 0.00 -1.31 -0.04 0.00 0.01 0.00 0.00 72.50 71.16 1nly s THR 139 CO -0.06 -0.24 0.17 -0.31 -0.69 0.00 0.00 174.62 173.50 1nly s TYR 140 N 1.71 3.60 0.79 4.92 1.51 -1.26 -5.07 117.35 123.55 1nly s TYR 140 Ca -0.01 0.58 -0.12 0.00 -1.01 0.00 0.00 57.07 56.51 1nly s TYR 140 Cb -0.18 -2.00 0.07 0.00 -0.11 0.00 0.00 41.96 39.75 1nly s TYR 140 CO -0.10 0.70 1.13 -1.25 -1.11 0.00 0.00 175.55 174.92 1nly s PRO 141 N -0.94 1.98 0.17 -1.71 0.04 -1.26 -4.44 135.00 128.84 1nly s PRO 141 Ca 0.16 1.40 -0.14 0.00 0.04 0.00 0.00 61.00 62.45 1nly s PRO 141 Cb -0.13 -1.85 0.14 0.00 0.04 0.00 0.00 34.50 32.71 1nly s PRO 141 CO 0.05 -1.89 1.72 1.25 0.04 0.00 0.00 177.00 178.17 1nly h HIS 142 N -1.03 0.14 -1.04 0.56 -0.00 -1.96 -0.12 115.15 111.70 1nly h HIS 142 Ca -0.44 0.03 0.32 0.00 -0.00 0.00 0.00 60.37 60.27 1nly h HIS 142 Cb 1.25 0.00 -0.14 0.00 -0.00 0.00 0.00 27.41 28.53 1nly h HIS 142 CO 0.54 0.00 0.61 0.66 -0.00 0.00 0.00 177.93 179.74 1nly h SER 143 N 0.22 0.50 -0.99 3.26 4.64 -1.94 0.84 113.55 120.08 1nly h SER 143 Ca 0.22 0.17 0.06 0.00 -0.47 0.00 0.00 61.79 61.76 1nly h SER 143 Cb 0.28 0.11 -0.06 0.00 -0.31 0.00 0.00 62.40 62.42 1nly h SER 143 CO -0.29 -0.09 0.64 0.15 -0.87 0.00 0.00 176.83 176.37 1nly h PHE 144 N 0.33 1.19 -0.57 4.77 3.57 -1.35 -0.25 116.94 124.63 1nly h PHE 144 Ca 0.72 0.03 -0.09 0.00 3.53 0.00 0.00 57.97 62.16 1nly h PHE 144 Cb 1.70 -0.39 -0.02 0.00 2.79 0.00 0.00 35.95 40.03 1nly h PHE 144 CO -0.01 0.64 -0.01 0.74 -2.23 0.00 0.00 178.31 177.44 1nly h PHE 145 N 1.19 1.10 -0.66 0.41 -1.00 0.75 -1.79 116.94 116.95 1nly h PHE 145 Ca 0.41 -0.20 -0.08 0.00 2.81 0.00 0.00 57.97 60.92 1nly h PHE 145 Cb 0.11 -0.29 -0.03 0.00 3.61 0.00 0.00 35.95 39.36 1nly h PHE 145 CO -0.00 0.99 0.11 0.93 -1.61 0.00 0.00 178.31 178.72 1nly h GLU 146 N 0.90 1.09 -0.12 1.51 5.08 -0.88 -0.61 114.58 121.55 1nly h GLU 146 Ca 0.16 -0.29 -0.00 0.00 -1.00 0.00 0.00 59.36 58.23 1nly h GLU 146 Cb 0.56 -0.13 -0.01 0.00 0.50 0.00 0.00 28.75 29.68 1nly h GLU 146 CO 0.03 1.00 0.07 0.93 -1.00 0.00 0.00 179.01 180.04 1nly h GLU 147 N 1.01 0.16 0.00 2.33 5.08 -0.91 -1.16 114.58 121.08 1nly h GLU 147 Ca 0.20 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.55 1nly h GLU 147 Cb 0.44 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.66 1nly h GLU 147 CO 0.01 0.13 0.00 1.04 -1.00 0.00 0.00 179.01 179.20 1nly n GLN 148 N -4.99 0.58 -2.91 2.33 1.13 -0.69 -4.86 117.38 107.97 1nly n GLN 148 Ca -0.05 0.00 -0.12 0.00 -1.94 0.00 0.00 57.00 54.89 1nly n GLN 148 Cb 0.04 -1.20 0.06 0.00 0.11 0.00 0.00 30.24 29.25 1nly n GLN 148 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1nly n GLY 149 N 0.11 -0.73 0.11 1.08 0.00 -0.44 -4.95 105.19 100.37 1nly n GLY 149 Ca 0.05 0.40 -0.12 0.00 0.00 0.00 0.00 46.02 46.35 1nly n GLY 149 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 1nly h PHE 150 N -0.89 0.38 -0.49 1.61 3.57 -1.28 -3.26 116.94 116.58 1nly h PHE 150 Ca -0.49 -0.25 -0.11 0.00 3.53 0.00 0.00 57.97 60.66 1nly h PHE 150 Cb 1.25 -0.03 -0.06 0.00 2.79 0.00 0.00 35.95 39.90 1nly h PHE 150 CO 0.24 1.14 0.09 0.66 -2.23 0.00 0.00 178.31 178.22 1nly n TYR 151 N -3.56 1.66 0.16 0.41 4.02 -1.26 -1.27 117.16 117.31 1nly n TYR 151 Ca -0.06 -1.09 0.03 0.00 -0.01 0.00 0.00 57.90 56.78 1nly n TYR 151 Cb 0.93 -0.50 0.22 0.00 -0.02 0.00 0.00 39.34 39.98 1nly n TYR 151 CO 0.00 0.00 0.00 -0.91 -1.01 0.00 0.00 176.86 174.94 1nly h ASN 152 N 2.26 0.00 1.18 7.72 4.21 -1.85 -3.14 115.58 125.97 1nly h ASN 152 Ca 0.13 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.64 1nly h ASN 152 Cb 1.87 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 39.07 1nly h ASN 152 CO 0.47 0.48 -0.07 0.18 -1.29 0.00 0.00 177.43 177.20 1nly n LEU 153 N -3.51 0.46 -4.81 1.61 4.77 -1.26 -4.84 117.00 109.41 1nly n LEU 153 Ca -0.00 0.49 -0.35 0.00 -0.03 0.00 0.00 56.01 56.11 1nly n LEU 153 Cb 0.60 -0.38 -0.06 0.00 -2.33 0.00 0.00 43.42 41.24 1nly n LEU 153 CO 0.39 -0.08 0.52 -0.76 -1.33 0.00 0.00 177.39 176.13 1nly s LEU 154 N -3.80 4.25 0.08 2.23 1.43 -1.19 -4.96 118.68 116.72 1nly s LEU 154 Ca 0.12 1.57 0.18 0.00 -1.03 0.00 0.00 54.13 54.96 1nly s LEU 154 Cb 0.15 -3.92 -0.12 0.00 0.03 0.00 0.00 46.19 42.33 1nly s LEU 154 CO 0.58 -0.09 0.85 -0.90 0.23 0.00 0.00 176.35 177.03 1nly n ASP 155 N 0.33 0.86 -3.08 2.29 3.85 -1.26 -3.76 116.55 115.78 1nly n ASP 155 Ca 0.01 0.37 -0.38 0.00 -0.71 0.00 0.00 54.79 54.08 1nly n ASP 155 Cb 0.51 0.20 0.02 0.00 -1.35 0.00 0.00 41.12 40.50 1nly n ASP 155 CO 0.00 0.00 0.00 -0.46 -1.01 0.00 0.00 177.20 175.73 1nly n ASN 156 N -2.86 7.37 0.13 -1.12 2.04 -1.26 -4.78 115.26 114.77 1nly n ASN 156 Ca -0.08 -3.65 -0.13 0.00 -0.44 0.00 0.00 54.58 50.27 1nly n ASN 156 Cb 0.80 -1.14 -0.06 0.00 -2.53 0.00 0.00 39.78 36.85 1nly n ASN 156 CO 0.00 0.00 0.00 0.50 -0.44 0.00 0.00 177.26 177.32 1nly h LYS 157 N 3.43 -0.48 -0.18 -3.83 3.64 -1.83 0.12 116.57 117.44 1nly h LYS 157 Ca 0.54 0.03 -0.18 0.00 -1.27 0.00 0.00 60.65 59.78 1nly h LYS 157 Cb 0.23 0.11 -0.00 0.00 -0.41 0.00 0.00 32.23 32.15 1nly h LYS 157 CO 1.29 -0.32 -0.62 0.93 -2.27 0.00 0.00 179.45 178.46 1nly h GLU 158 N -0.50 0.61 -0.82 1.90 5.08 -1.93 -1.98 114.58 116.95 1nly h GLU 158 Ca 0.02 -0.42 0.03 0.00 -1.00 0.00 0.00 59.36 57.99 1nly h GLU 158 Cb 0.51 0.06 -0.05 0.00 0.50 0.00 0.00 28.75 29.78 1nly h GLU 158 CO -0.14 1.04 0.54 0.37 -1.00 0.00 0.00 179.01 179.83 1nly h GLN 159 N 0.45 1.01 -0.02 2.33 4.15 -1.91 -1.01 115.11 120.12 1nly h GLN 159 Ca -0.01 -0.06 -0.03 0.00 0.77 0.00 0.00 58.65 59.32 1nly h GLN 159 Cb 1.19 -0.23 0.00 0.00 0.21 0.00 0.00 27.48 28.66 1nly h GLN 159 CO 0.12 0.67 -0.10 0.00 -1.93 0.00 0.00 178.83 177.58 1nly h ALA 160 N 1.51 0.03 -0.11 3.38 0.00 -0.61 0.10 119.26 123.56 1nly h ALA 160 Ca 0.32 -0.38 -0.01 0.00 0.00 0.00 0.00 54.91 54.84 1nly h ALA 160 Cb -0.00 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 1nly h ALA 160 CO -0.09 -0.05 0.05 0.82 0.00 0.00 0.00 179.25 179.98 1nly h ILE 161 N -0.55 1.05 0.05 0.00 2.04 -1.22 -1.22 117.51 117.67 1nly h ILE 161 Ca -0.01 -0.15 -0.28 0.00 1.00 0.00 0.00 64.86 65.42 1nly h ILE 161 Cb 0.79 0.91 -0.03 0.00 -0.74 0.00 0.00 36.82 37.76 1nly h ILE 161 CO 0.02 0.06 -1.52 0.28 0.00 0.00 0.00 178.15 176.99 1nly h SER 162 N 0.15 0.16 0.44 1.72 0.02 -1.18 -3.18 113.55 111.69 1nly h SER 162 Ca 0.04 -0.26 -0.02 0.00 -0.84 0.00 0.00 61.79 60.71 1nly h SER 162 Cb 0.03 -0.05 0.00 0.00 0.14 0.00 0.00 62.40 62.52 1nly h SER 162 CO -0.00 1.22 -0.21 0.00 -1.14 0.00 0.00 176.83 176.69 1nly h ALA 163 N 0.76 -0.60 -0.22 3.77 0.00 -0.11 0.21 119.26 123.07 1nly h ALA 163 Ca -0.22 -0.13 0.05 0.00 0.00 0.00 0.00 54.91 54.61 1nly h ALA 163 Cb 1.96 0.23 -0.05 0.00 0.00 0.00 0.00 17.79 19.93 1nly h ALA 163 CO 0.12 -0.83 -0.12 0.97 0.00 0.00 0.00 179.25 179.39 1nly h ILE 164 N -0.61 0.64 0.82 0.00 6.09 -1.40 1.29 117.51 124.34 1nly h ILE 164 Ca -0.06 0.00 -0.04 0.00 -1.37 0.00 0.00 64.86 63.39 1nly h ILE 164 Cb 0.46 0.64 -0.00 0.00 0.47 0.00 0.00 36.82 38.39 1nly h ILE 164 CO 0.10 0.00 -0.47 0.11 -3.07 0.00 0.00 178.15 174.82 1nly h LYS 165 N -0.10 -1.15 -0.15 2.19 1.57 -1.48 -2.18 116.57 115.27 1nly h LYS 165 Ca 0.12 0.08 -0.01 0.00 -1.87 0.00 0.00 60.65 58.97 1nly h LYS 165 Cb 0.28 0.26 -0.01 0.00 0.08 0.00 0.00 32.23 32.84 1nly h LYS 165 CO -0.28 -0.77 0.05 -0.44 -0.57 0.00 0.00 179.45 177.44 1nly h ASP 166 N -1.19 0.22 0.10 0.86 5.19 -0.40 -2.71 116.42 118.49 1nly h ASP 166 Ca -0.11 -0.21 0.01 0.00 -0.62 0.00 0.00 57.03 56.11 1nly h ASP 166 Cb 0.95 -0.06 -0.05 0.00 0.18 0.00 0.00 39.33 40.35 1nly h ASP 166 CO 0.13 0.37 -0.53 1.23 -3.12 0.00 0.00 179.24 177.32 1nly h GLY 167 N 0.06 -1.13 0.99 2.75 0.00 0.17 -1.65 103.07 104.25 1nly h GLY 167 Ca 0.05 0.64 0.12 0.00 0.00 0.00 0.00 47.33 48.14 1nly h GLY 167 CO -0.00 -0.26 0.40 -2.22 0.00 0.00 0.00 176.54 174.46 1nly h ILE 168 N -0.74 0.85 0.00 2.60 2.04 -1.45 0.13 117.51 120.94 1nly h ILE 168 Ca -0.00 -0.11 -0.04 0.00 1.00 0.00 0.00 64.86 65.71 1nly h ILE 168 Cb 0.75 0.51 -0.01 0.00 -0.74 0.00 0.00 36.82 37.34 1nly h ILE 168 CO -0.30 0.06 -0.21 0.00 0.00 0.00 0.00 178.15 177.70 1nly h ALA 169 N 1.71 1.31 -0.00 1.87 0.00 -0.98 -2.38 119.26 120.78 1nly h ALA 169 Ca 0.28 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 55.00 1nly h ALA 169 Cb 0.68 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.44 1nly h ALA 169 CO -0.07 0.26 -0.61 -0.89 0.00 0.00 0.00 179.25 177.94 1nly n ILE 170 N -3.79 0.00 -1.47 0.00 2.08 0.37 -4.70 119.36 111.84 1nly n ILE 170 Ca -0.02 -0.07 0.00 0.00 0.56 0.00 0.00 62.75 63.23 1nly n ILE 170 Cb 0.31 0.67 0.00 0.00 -0.75 0.00 0.00 39.64 39.87 1nly n ILE 170 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 1nly n GLY 171 N 1.46 0.70 3.91 7.39 0.00 -0.69 -4.89 105.19 113.06 1nly n GLY 171 Ca 0.07 -0.38 -0.28 0.00 0.00 0.00 0.00 46.02 45.44 1nly n GLY 171 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1nly s LYS 172 N -2.76 2.62 -0.28 1.61 -0.14 -1.13 -3.15 119.74 116.51 1nly s LYS 172 Ca 0.00 0.07 -0.17 0.00 -1.36 0.00 0.00 55.97 54.52 1nly s LYS 172 Cb 0.00 -2.14 -0.03 0.00 -1.68 0.00 0.00 37.83 33.98 1nly s LYS 172 CO 0.00 -1.02 0.46 -0.80 -0.76 0.00 0.00 175.35 173.22 1nly s ASN 173 N -4.40 6.34 -0.02 2.83 0.01 -1.26 -3.56 114.94 114.88 1nly s ASN 173 Ca 0.57 0.34 0.05 0.00 -0.71 0.00 0.00 52.86 53.12 1nly s ASN 173 Cb -0.11 -2.25 -0.01 0.00 0.41 0.00 0.00 41.25 39.29 1nly s ASN 173 CO 0.47 -0.27 -0.18 0.54 -1.51 0.00 0.00 177.10 176.15 1nly s VAL 174 N 2.22 1.47 -0.06 1.60 0.11 0.26 -1.62 120.40 124.39 1nly s VAL 174 Ca 0.18 -0.78 0.05 0.00 -2.93 0.00 0.00 61.98 58.51 1nly s VAL 174 Cb -0.16 -1.23 -0.01 0.00 -1.53 0.00 0.00 36.38 33.46 1nly s VAL 174 CO 0.10 0.42 -0.22 -0.63 -3.33 0.00 0.00 175.10 171.43 1nly s ILE 175 N -0.32 1.85 -0.23 7.04 1.01 -1.26 -1.53 121.20 127.77 1nly s ILE 175 Ca 0.04 -0.95 -0.03 0.00 0.00 0.00 0.00 60.65 59.71 1nly s ILE 175 Cb -0.08 -1.58 0.00 0.00 0.01 0.00 0.00 42.46 40.81 1nly s ILE 175 CO 0.00 0.52 -0.04 -0.69 0.00 0.00 0.00 174.94 174.73 1nly s VAL 176 N -0.06 3.26 0.32 2.92 1.01 0.05 -0.85 120.40 127.06 1nly s VAL 176 Ca -0.05 -0.67 0.05 0.00 0.00 0.00 0.00 61.98 61.30 1nly s VAL 176 Cb -0.13 -2.55 -0.06 0.00 0.00 0.00 0.00 36.38 33.64 1nly s VAL 176 CO 0.04 0.33 0.03 0.00 0.00 0.00 0.00 175.10 175.50 1nly n GLY 178 N -0.69 -0.89 3.87 0.00 0.00 -0.66 -1.90 105.19 104.92 1nly n GLY 178 Ca -0.03 -1.50 -0.30 0.00 0.00 0.00 0.00 46.02 44.19 1nly n GLY 178 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1nly s GLY 179 N 0.00 1.76 0.17 -0.02 0.00 -1.26 -3.47 107.32 104.50 1nly s GLY 179 Ca 0.00 -1.21 -0.32 0.00 0.00 0.00 0.00 44.72 43.20 1nly s GLY 179 CO 0.00 -0.39 1.61 -1.59 0.00 0.00 0.00 173.10 172.73 1nly s THR 180 N -3.75 2.49 -0.45 0.90 2.01 -1.26 -2.28 115.64 113.31 1nly s THR 180 Ca 0.74 0.34 0.00 0.00 0.31 0.00 0.00 61.69 63.09 1nly s THR 180 Cb -0.04 -3.22 0.00 0.00 0.01 0.00 0.00 72.50 69.25 1nly s THR 180 CO 0.54 0.03 0.00 0.61 -0.69 0.00 0.00 174.62 175.10 1nly n GLY 181 N 3.82 0.63 0.02 4.40 0.00 -1.26 -4.87 105.19 107.93 1nly n GLY 181 Ca 0.14 -0.24 0.07 0.00 0.00 0.00 0.00 46.02 46.00 1nly n GLY 181 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1nly n SER 182 N -0.13 0.10 0.00 1.61 3.41 -0.96 -4.86 113.62 112.79 1nly n SER 182 Ca -0.04 0.53 0.00 0.00 -0.26 0.00 0.00 58.87 59.10 1nly n SER 182 Cb 0.28 -0.55 0.00 0.00 -0.26 0.00 0.00 64.21 63.68 1nly n SER 182 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1nly n GLY 183 N -0.10 1.16 0.28 5.00 0.00 -1.26 -4.39 105.19 105.88 1nly n GLY 183 Ca 0.03 -0.15 -0.14 0.00 0.00 0.00 0.00 46.02 45.77 1nly n GLY 183 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1nly h LYS 184 N 0.00 -0.63 -0.63 1.61 1.57 -1.90 -1.17 116.57 115.43 1nly h LYS 184 Ca 0.00 0.04 0.11 0.00 -1.87 0.00 0.00 60.65 58.93 1nly h LYS 184 Cb 0.04 0.14 -0.08 0.00 0.08 0.00 0.00 32.23 32.41 1nly h LYS 184 CO 0.00 -0.32 0.21 1.15 -0.57 0.00 0.00 179.45 179.92 1nly h THR 185 N -0.98 0.70 -0.32 -0.16 2.02 -1.94 -0.03 112.91 112.20 1nly h THR 185 Ca -0.07 -0.12 0.03 0.00 0.77 0.00 0.00 66.41 67.02 1nly h THR 185 Cb 0.59 0.31 -0.03 0.00 -1.74 0.00 0.00 68.15 67.28 1nly h THR 185 CO 0.11 0.07 0.14 0.74 0.37 0.00 0.00 175.52 176.94 1nly h THR 186 N 0.36 0.95 -0.02 3.16 2.02 -1.94 -1.30 112.91 116.15 1nly h THR 186 Ca 0.33 -0.10 0.01 0.00 0.77 0.00 0.00 66.41 67.42 1nly h THR 186 Cb 0.46 0.63 -0.01 0.00 -1.74 0.00 0.00 68.15 67.49 1nly h THR 186 CO -0.36 0.05 -0.03 0.22 0.37 0.00 0.00 175.52 175.78 1nly h TYR 187 N 0.30 -0.07 -0.30 3.16 3.20 0.22 -2.32 116.97 121.16 1nly h TYR 187 Ca 0.14 0.00 -0.01 0.00 3.14 0.00 0.00 58.73 62.00 1nly h TYR 187 Cb 0.08 0.03 -0.02 0.00 1.54 0.00 0.00 36.73 38.37 1nly h TYR 187 CO -0.12 -0.05 0.14 -0.84 -1.64 0.00 0.00 178.16 175.66 1nly h ILE 188 N -0.04 1.11 -0.36 1.81 3.07 -0.85 -2.02 117.51 120.23 1nly h ILE 188 Ca 0.02 -0.32 -0.04 0.00 1.55 0.00 0.00 64.86 66.08 1nly h ILE 188 Cb 0.07 0.73 -0.02 0.00 -0.27 0.00 0.00 36.82 37.33 1nly h ILE 188 CO -0.05 0.13 0.07 0.11 -1.05 0.00 0.00 178.15 177.35 1nly h LYS 189 N 0.42 0.53 0.22 0.16 1.57 -0.70 -3.04 116.57 115.72 1nly h LYS 189 Ca 0.11 -0.09 -0.30 0.00 -1.87 0.00 0.00 60.65 58.49 1nly h LYS 189 Cb 0.06 -0.09 0.03 0.00 0.08 0.00 0.00 32.23 32.31 1nly h LYS 189 CO -0.01 0.51 -1.37 0.66 -0.57 0.00 0.00 179.45 178.67 1nly h SER 190 N 0.52 0.71 0.00 0.86 4.64 -1.03 -3.40 113.55 115.85 1nly h SER 190 Ca 0.12 -0.93 -0.54 0.00 -0.47 0.00 0.00 61.79 59.98 1nly h SER 190 Cb 0.24 -0.23 0.06 0.00 -0.31 0.00 0.00 62.40 62.15 1nly h SER 190 CO -0.00 1.65 2.10 2.30 -0.87 0.00 0.00 176.83 182.01 1nly n ILE 191 N -3.81 1.48 0.00 0.95 -5.35 -0.94 -4.26 119.36 107.42 1nly n ILE 191 Ca -0.18 -1.16 0.00 0.00 -0.27 0.00 0.00 62.75 61.15 1nly n ILE 191 Cb 1.03 -2.16 0.00 0.00 -1.74 0.00 0.00 39.64 36.77 1nly n ILE 191 CO 0.00 0.00 0.00 -0.62 -1.76 0.00 0.00 176.55 174.17 1nly n GLU 193 N 6.47 0.00 -0.70 6.28 1.02 -1.26 -4.51 120.64 127.93 1nly n GLU 193 Ca 0.44 0.00 -0.04 0.00 -0.02 0.00 0.00 57.16 57.54 1nly n GLU 193 Cb 0.32 -1.98 0.21 0.00 -0.02 0.00 0.00 31.44 29.97 1nly n GLU 193 CO 0.00 0.00 0.00 1.19 1.18 0.00 0.00 177.13 179.50 1nly n PHE 194 N -0.20 1.69 -3.83 -0.32 3.01 -1.26 -4.83 117.46 111.71 1nly n PHE 194 Ca 0.00 -0.88 -0.36 0.00 1.01 0.00 0.00 57.45 57.22 1nly n PHE 194 Cb 0.00 -0.53 -0.13 0.00 -0.01 0.00 0.00 39.48 38.81 1nly n PHE 194 CO 0.00 0.00 0.00 0.42 1.01 0.00 0.00 176.76 178.19 1nly s ILE 195 N -2.20 3.87 -0.17 4.37 1.01 -1.26 -2.94 121.20 123.87 1nly s ILE 195 Ca 0.37 -0.32 -0.42 0.00 0.00 0.00 0.00 60.65 60.28 1nly s ILE 195 Cb 0.30 -2.79 -0.20 0.00 0.01 0.00 0.00 42.46 39.78 1nly s ILE 195 CO 0.09 0.38 1.29 -2.65 0.00 0.00 0.00 174.94 174.05 1nly n PRO 196 N 4.84 0.11 0.00 2.79 -0.02 -1.26 -4.73 135.00 136.73 1nly n PRO 196 Ca -0.17 0.04 0.00 0.00 -2.02 0.00 0.00 63.50 61.35 1nly n PRO 196 Cb 0.51 -1.55 0.00 0.00 -0.02 0.00 0.00 33.50 32.44 1nly n PRO 196 CO 0.00 0.00 0.00 0.36 1.98 0.00 0.00 175.50 177.84 1nly n LYS 197 N 2.53 0.00 0.00 -0.52 2.85 -1.26 -1.08 118.16 120.67 1nly n LYS 197 Ca 0.24 0.35 0.12 0.00 -1.05 0.00 0.00 58.31 57.97 1nly n LYS 197 Cb 0.04 -1.58 0.29 0.00 -0.65 0.00 0.00 35.03 33.13 1nly n LYS 197 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 177.40 177.74 1nly n GLU 198 N -1.34 0.22 -2.39 -1.58 4.71 -1.26 -4.40 120.64 114.60 1nly n GLU 198 Ca 0.00 -0.13 -0.42 0.00 -0.01 0.00 0.00 57.16 56.61 1nly n GLU 198 Cb 0.08 -1.50 -0.03 0.00 -1.01 0.00 0.00 31.44 28.98 1nly n GLU 198 CO 0.00 0.00 0.00 -1.21 0.09 0.00 0.00 177.13 176.01 1nly s GLU 199 N -2.87 4.46 -0.17 3.49 0.41 -0.24 -4.97 118.70 118.82 1nly s GLU 199 Ca 0.15 1.83 -0.25 0.00 -0.41 0.00 0.00 54.97 56.28 1nly s GLU 199 Cb 0.18 -3.29 -0.01 0.00 -1.78 0.00 0.00 34.13 29.23 1nly s GLU 199 CO 0.65 -0.18 0.84 0.50 -0.49 0.00 0.00 175.26 176.58 1nly s ARG 200 N 0.42 4.30 -0.08 1.61 3.52 -1.26 -4.69 118.95 122.78 1nly s ARG 200 Ca 0.56 1.03 0.02 0.00 -0.13 0.00 0.00 55.73 57.21 1nly s ARG 200 Cb -0.31 -3.57 -0.02 0.00 -1.56 0.00 0.00 34.95 29.48 1nly s ARG 200 CO 0.33 -0.32 -0.14 0.42 -0.81 0.00 0.00 175.30 174.77 1nly s ILE 201 N 2.13 3.00 -0.07 4.11 1.01 -1.06 0.59 121.20 130.91 1nly s ILE 201 Ca 0.39 -0.72 0.04 0.00 0.00 0.00 0.00 60.65 60.35 1nly s ILE 201 Cb -0.17 -2.20 0.00 0.00 0.01 0.00 0.00 42.46 40.10 1nly s ILE 201 CO 0.13 0.57 -0.18 -0.63 0.00 0.00 0.00 174.94 174.82 1nly s ILE 202 N -0.30 1.53 -0.01 2.92 1.01 -0.64 -1.01 121.20 124.70 1nly s ILE 202 Ca 0.02 -0.73 0.07 0.00 0.00 0.00 0.00 60.65 60.01 1nly s ILE 202 Cb -0.13 -1.34 -0.02 0.00 0.01 0.00 0.00 42.46 40.98 1nly s ILE 202 CO 0.03 0.44 -0.24 -0.94 0.00 0.00 0.00 174.94 174.23 1nly s SER 203 N 0.33 3.27 -0.33 3.58 1.04 -0.90 -0.62 113.70 120.07 1nly s SER 203 Ca -0.12 -0.43 -0.04 0.00 0.48 0.00 0.00 55.95 55.84 1nly s SER 203 Cb -0.15 -0.44 0.06 0.00 0.10 0.00 0.00 66.02 65.59 1nly s SER 203 CO 0.05 0.31 0.08 -0.63 0.98 0.00 0.00 173.24 174.03 1nly s ILE 204 N -0.67 3.36 0.39 -1.02 1.01 0.04 0.13 121.20 124.44 1nly s ILE 204 Ca 0.11 -1.39 0.05 0.00 0.00 0.00 0.00 60.65 59.42 1nly s ILE 204 Cb -0.10 -2.98 -0.07 0.00 0.01 0.00 0.00 42.46 39.32 1nly s ILE 204 CO -0.00 -0.23 0.03 -1.61 0.00 0.00 0.00 174.94 173.13 1nly s GLU 205 N 1.30 1.88 -0.12 2.79 2.02 0.35 0.58 118.70 127.49 1nly s GLU 205 Ca -0.02 -2.07 0.06 0.00 0.02 0.00 0.00 54.97 52.96 1nly s GLU 205 Cb -0.20 -1.35 -0.11 0.00 0.10 0.00 0.00 34.13 32.56 1nly s GLU 205 CO 0.00 -0.13 -0.02 -3.47 0.02 0.00 0.00 175.26 171.66 1nly n ASP 206 N -0.91 2.62 -3.82 -0.19 2.03 -1.26 -2.24 116.55 112.78 1nly n ASP 206 Ca -0.05 -0.03 -0.15 0.00 0.52 0.00 0.00 54.79 55.08 1nly n ASP 206 Cb 0.67 0.39 -0.15 0.00 -0.72 0.00 0.00 41.12 41.30 1nly n ASP 206 CO 0.00 0.00 0.00 -0.89 -1.92 0.00 0.00 177.20 174.39 1nly s THR 207 N -2.26 0.03 -0.04 5.18 2.01 -1.26 -4.78 115.64 114.53 1nly s THR 207 Ca -0.10 0.11 -0.32 0.00 0.31 0.00 0.00 61.69 61.68 1nly s THR 207 Cb 0.04 -0.12 -0.10 0.00 0.01 0.00 0.00 72.50 72.33 1nly s THR 207 CO 0.38 0.08 1.94 1.21 -0.69 0.00 0.00 174.62 177.54 1nly n GLU 208 N 3.81 2.49 0.00 4.92 2.13 -1.26 -4.65 120.64 128.08 1nly n GLU 208 Ca -0.23 0.91 0.00 0.00 0.66 0.00 0.00 57.16 58.50 1nly n GLU 208 Cb 0.53 -2.82 0.00 0.00 0.27 0.00 0.00 31.44 29.42 1nly n GLU 208 CO 0.00 0.00 0.00 0.39 -0.41 0.00 0.00 177.13 177.11 1nly n GLU 209 N 7.12 0.00 -2.33 5.31 1.02 -1.26 -4.90 120.64 125.59 1nly n GLU 209 Ca 0.22 0.00 -0.39 0.00 -0.02 0.00 0.00 57.16 56.97 1nly n GLU 209 Cb 0.35 -0.45 -0.03 0.00 -0.02 0.00 0.00 31.44 31.29 1nly n GLU 209 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 1nly s ILE 210 N -1.00 3.23 0.01 -3.67 1.01 -1.26 -4.88 121.20 114.64 1nly s ILE 210 Ca 0.00 1.08 0.05 0.00 0.00 0.00 0.00 60.65 61.78 1nly s ILE 210 Cb 0.00 -3.62 -0.02 0.00 0.01 0.00 0.00 42.46 38.83 1nly s ILE 210 CO 0.00 0.14 -0.16 -0.69 0.00 0.00 0.00 174.94 174.23 1nly s VAL 211 N -1.36 1.27 -0.56 2.92 1.01 -1.26 -5.10 120.40 117.31 1nly s VAL 211 Ca 0.54 -0.81 -0.09 0.00 0.00 0.00 0.00 61.98 61.62 1nly s VAL 211 Cb -0.31 -1.08 0.14 0.00 0.00 0.00 0.00 36.38 35.14 1nly s VAL 211 CO 0.39 0.26 0.44 -0.36 0.00 0.00 0.00 175.10 175.83 1nly s PHE 212 N -0.52 3.47 -0.26 5.22 0.40 -1.26 -4.88 117.98 120.14 1nly s PHE 212 Ca 0.05 -2.00 0.23 0.00 -0.60 0.00 0.00 56.93 54.61 1nly s PHE 212 Cb -0.07 -3.52 -0.06 0.00 0.51 0.00 0.00 43.02 39.88 1nly s PHE 212 CO 0.00 -0.97 0.92 1.63 0.70 0.00 0.00 175.22 177.50 1nly n LYS 213 N 4.53 0.56 -0.46 0.44 5.02 -1.26 -4.35 118.16 122.64 1nly n LYS 213 Ca -0.02 0.03 0.06 0.00 -2.02 0.00 0.00 58.31 56.36 1nly n LYS 213 Cb 0.41 -1.72 0.10 0.00 -0.02 0.00 0.00 35.03 33.81 1nly n LYS 213 CO 0.00 0.00 0.00 0.72 -0.52 0.00 0.00 177.40 177.60 1nly n HIS 214 N -2.45 0.00 -3.55 2.13 8.25 -1.26 -5.00 115.22 113.34 1nly n HIS 214 Ca -0.00 -0.77 -0.22 0.00 -0.26 0.00 0.00 57.72 56.47 1nly n HIS 214 Cb 0.53 -0.14 -0.15 0.00 1.12 0.00 0.00 29.99 31.35 1nly n HIS 214 CO 0.00 0.00 0.00 -1.01 0.64 0.00 0.00 176.34 175.97 1nly s HIS 215 N -1.83 -0.06 0.01 4.41 3.76 -1.26 -4.46 115.29 115.86 1nly s HIS 215 Ca 0.25 -0.02 -0.20 0.00 -0.15 0.00 0.00 55.06 54.94 1nly s HIS 215 Cb 0.24 -0.51 -0.22 0.00 1.11 0.00 0.00 32.58 33.20 1nly s HIS 215 CO -0.02 -0.56 1.14 0.87 -0.85 0.00 0.00 174.74 175.32 1nly h LYS 216 N 8.36 0.42 -5.73 1.40 1.57 -1.91 -3.42 116.57 117.26 1nly h LYS 216 Ca -0.16 -0.41 -0.63 0.00 -1.87 0.00 0.00 60.65 57.58 1nly h LYS 216 Cb 1.15 0.10 -0.13 0.00 0.08 0.00 0.00 32.23 33.43 1nly h LYS 216 CO 0.28 1.06 0.38 1.21 -0.57 0.00 0.00 179.45 181.81 1nly s ASN 217 N -6.67 6.38 0.24 0.86 2.47 -1.26 -4.97 114.94 111.98 1nly s ASN 217 Ca -0.13 -0.23 -0.20 0.00 0.42 0.00 0.00 52.86 52.71 1nly s ASN 217 Cb 0.04 -2.39 0.07 0.00 -1.45 0.00 0.00 41.25 37.52 1nly s ASN 217 CO 0.81 -0.98 0.98 -0.72 -3.72 0.00 0.00 177.10 173.47 1nly s TYR 218 N 3.38 0.09 -0.28 0.43 -0.85 -1.26 -2.57 117.35 116.29 1nly s TYR 218 Ca 0.29 -0.57 -0.20 0.00 -0.52 0.00 0.00 57.07 56.07 1nly s TYR 218 Cb -0.13 0.74 0.10 0.00 0.38 0.00 0.00 41.96 43.05 1nly s TYR 218 CO 0.21 -1.10 0.83 0.99 -1.52 0.00 0.00 175.55 174.96 1nly s THR 219 N -2.16 0.00 -0.07 -3.49 2.01 -0.18 -4.92 115.64 106.83 1nly s THR 219 Ca 0.21 0.00 -0.04 0.00 0.31 0.00 0.00 61.69 62.17 1nly s THR 219 Cb -0.03 -1.00 -0.04 0.00 0.01 0.00 0.00 72.50 71.44 1nly s THR 219 CO 0.07 0.00 0.11 -1.10 -0.69 0.00 0.00 174.62 173.01 1nly s GLN 220 N 0.99 3.28 -0.02 4.92 -0.21 -1.26 -2.11 119.66 125.25 1nly s GLN 220 Ca -0.05 -0.29 0.06 0.00 0.02 0.00 0.00 55.36 55.10 1nly s GLN 220 Cb -0.05 -3.03 -0.01 0.00 1.00 0.00 0.00 33.01 30.92 1nly s GLN 220 CO -0.11 0.72 -0.20 -0.51 -2.12 0.00 0.00 175.29 173.06 1nly s LEU 221 N -1.34 2.03 -0.05 2.90 1.43 0.12 -4.93 118.68 118.84 1nly s LEU 221 Ca 0.19 -0.37 0.03 0.00 -1.03 0.00 0.00 54.13 52.95 1nly s LEU 221 Cb -0.12 -1.05 0.00 0.00 0.03 0.00 0.00 46.19 45.06 1nly s LEU 221 CO 0.09 0.24 -0.14 -0.36 0.23 0.00 0.00 176.35 176.40 1nly s PHE 222 N -0.41 1.52 0.17 0.29 0.40 -1.26 -0.50 117.98 118.20 1nly s PHE 222 Ca 0.06 -0.48 0.06 0.00 -0.60 0.00 0.00 56.93 55.97 1nly s PHE 222 Cb -0.08 -1.06 -0.04 0.00 0.51 0.00 0.00 43.02 42.34 1nly s PHE 222 CO -0.00 -0.20 0.09 -0.59 0.70 0.00 0.00 175.22 175.21 1nly s PHE 223 N 0.29 3.04 0.00 0.36 -0.71 -0.95 -4.99 117.98 115.03 1nly s PHE 223 Ca -0.08 -0.07 0.00 0.00 -1.04 0.00 0.00 56.93 55.74 1nly s PHE 223 Cb -0.13 -1.45 0.00 0.00 -1.21 0.00 0.00 43.02 40.23 1nly s PHE 223 CO 0.03 0.52 0.00 0.41 -1.34 0.00 0.00 175.22 174.84 1nly n GLY 224 N -0.32 3.21 4.13 1.99 0.00 0.60 -4.72 105.19 110.08 1nly n GLY 224 Ca -0.09 -0.03 0.00 0.00 0.00 0.00 0.00 46.02 45.91 1nly n GLY 224 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1nly n GLY 225 N 0.00 1.21 0.22 -0.02 0.00 -1.26 -3.82 105.19 101.52 1nly n GLY 225 Ca 0.00 -0.85 -0.09 0.00 0.00 0.00 0.00 46.02 45.08 1nly n GLY 225 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 1nly h ASN 226 N 0.00 0.63 -3.25 1.61 2.35 -1.99 -3.42 115.58 111.50 1nly h ASN 226 Ca 0.00 -0.32 -0.55 0.00 -0.55 0.00 0.00 56.30 54.87 1nly h ASN 226 Cb 0.00 -0.18 -0.03 0.00 0.05 0.00 0.00 38.32 38.16 1nly h ASN 226 CO 0.00 1.03 0.56 -0.63 -1.65 0.00 0.00 177.43 176.75 1nly s ILE 227 N -4.05 4.70 0.31 2.81 -1.09 -1.25 -5.04 121.20 117.60 1nly s ILE 227 Ca -0.07 1.97 0.05 0.00 -2.23 0.00 0.00 60.65 60.37 1nly s ILE 227 Cb 0.11 -4.27 -0.02 0.00 -1.58 0.00 0.00 42.46 36.71 1nly s ILE 227 CO 0.84 0.02 0.46 0.42 -1.23 0.00 0.00 174.94 175.45 1nly s THR 228 N 1.91 4.55 0.25 2.92 -4.23 -1.26 -0.29 115.64 119.48 1nly s THR 228 Ca 0.50 -0.90 -0.03 0.00 -1.18 0.00 0.00 61.69 60.07 1nly s THR 228 Cb -0.20 -3.60 0.22 0.00 1.34 0.00 0.00 72.50 70.26 1nly s THR 228 CO 0.20 -0.26 1.81 -1.28 -0.54 0.00 0.00 174.62 174.54 1nly h SER 229 N 0.93 0.68 -0.43 3.99 0.87 -1.96 0.46 113.55 118.09 1nly h SER 229 Ca -0.48 0.05 -0.05 0.00 -1.23 0.00 0.00 61.79 60.08 1nly h SER 229 Cb 1.24 -0.08 -0.02 0.00 -0.44 0.00 0.00 62.40 63.10 1nly h SER 229 CO 0.57 0.38 0.09 0.00 -0.53 0.00 0.00 176.83 177.34 1nly h ALA 230 N 1.47 1.24 -0.60 6.23 0.00 -1.95 -1.96 119.26 123.69 1nly h ALA 230 Ca 0.41 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 55.12 1nly h ALA 230 Cb 0.40 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 17.96 1nly h ALA 230 CO -0.26 0.52 0.39 -0.44 0.00 0.00 0.00 179.25 179.46 1nly h ASP 231 N 0.74 0.70 0.29 0.00 3.32 -1.32 0.27 116.42 120.42 1nly h ASP 231 Ca 0.16 -0.03 -0.01 0.00 0.02 0.00 0.00 57.03 57.17 1nly h ASP 231 Cb 0.31 -0.18 0.00 0.00 0.22 0.00 0.00 39.33 39.69 1nly h ASP 231 CO 0.00 0.52 -0.14 0.00 -1.72 0.00 0.00 179.24 177.91 1nly h LEU 233 N -0.54 0.49 -0.47 0.00 5.85 -1.04 0.72 115.31 120.32 1nly h LEU 233 Ca -0.04 0.00 -0.15 0.00 0.84 0.00 0.00 57.88 58.53 1nly h LEU 233 Cb 0.40 -0.11 -0.01 0.00 0.37 0.00 0.00 40.66 41.32 1nly h LEU 233 CO 0.06 0.32 -0.41 0.50 -0.34 0.00 0.00 178.44 178.57 1nly h LYS 234 N 0.56 0.81 -0.25 1.25 3.64 -0.26 -1.73 116.57 120.58 1nly h LYS 234 Ca 0.25 -0.43 -0.18 0.00 -1.27 0.00 0.00 60.65 59.02 1nly h LYS 234 Cb 0.28 0.02 -0.00 0.00 -0.41 0.00 0.00 32.23 32.12 1nly h LYS 234 CO -0.07 1.07 -0.55 1.03 -2.27 0.00 0.00 179.45 178.65 1nly h SER 235 N 0.65 0.85 -0.24 4.20 0.87 0.43 -3.10 113.55 117.22 1nly h SER 235 Ca 0.05 -0.46 0.06 0.00 -1.23 0.00 0.00 61.79 60.21 1nly h SER 235 Cb 0.98 -0.24 -0.07 0.00 -0.44 0.00 0.00 62.40 62.63 1nly h SER 235 CO 0.09 1.23 -0.21 0.00 -0.53 0.00 0.00 176.83 177.41 1nly n LEU 237 N -5.36 0.00 -2.95 0.00 4.77 -0.68 -4.00 117.00 108.79 1nly n LEU 237 Ca -0.01 0.00 -0.29 0.00 -0.03 0.00 0.00 56.01 55.68 1nly n LEU 237 Cb 0.27 0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 41.34 1nly n LEU 237 CO 0.16 0.00 0.38 0.54 -1.33 0.00 0.00 177.39 177.14 1nly n ARG 238 N -0.87 3.56 -2.96 3.23 1.74 0.98 -4.93 116.66 117.39 1nly n ARG 238 Ca 0.03 -4.73 -0.14 0.00 -0.77 0.00 0.00 57.85 52.24 1nly n ARG 238 Cb 0.01 -2.27 0.03 0.00 -1.02 0.00 0.00 32.46 29.21 1nly n ARG 238 CO 0.00 0.00 0.00 -2.13 -1.52 0.00 0.00 177.63 173.98 1nly n ARG 240 N -0.28 0.99 -2.94 5.56 3.00 -1.26 -5.10 116.66 116.64 1nly n ARG 240 Ca 0.35 -2.65 -0.34 0.00 -0.00 0.00 0.00 57.85 55.22 1nly n ARG 240 Cb 0.42 -1.37 -0.07 0.00 0.00 0.00 0.00 32.46 31.44 1nly n ARG 240 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.63 176.38 1nly s PRO 241 N -1.04 4.22 -0.15 -0.14 0.04 -1.26 -4.90 135.00 131.76 1nly s PRO 241 Ca 0.31 0.99 0.06 0.00 0.04 0.00 0.00 61.00 62.40 1nly s PRO 241 Cb 0.32 -2.43 -0.23 0.00 0.04 0.00 0.00 34.50 32.20 1nly s PRO 241 CO -0.07 0.12 0.23 -0.25 0.04 0.00 0.00 177.00 177.07 1nly n ASP 242 N -0.22 1.31 -3.96 6.66 8.00 0.20 -4.92 116.55 123.61 1nly n ASP 242 Ca 0.04 0.13 -0.16 0.00 0.71 0.00 0.00 54.79 55.51 1nly n ASP 242 Cb 0.53 -0.14 -0.14 0.00 -0.02 0.00 0.00 41.12 41.35 1nly n ASP 242 CO 0.00 0.00 0.00 -0.13 -0.39 0.00 0.00 177.20 176.68 1nly s ARG 243 N -2.54 0.41 -0.19 -1.24 1.81 -0.95 -3.57 118.95 112.68 1nly s ARG 243 Ca -0.18 -0.20 0.01 0.00 -1.72 0.00 0.00 55.73 53.63 1nly s ARG 243 Cb 0.07 -0.38 0.02 0.00 -0.45 0.00 0.00 34.95 34.21 1nly s ARG 243 CO 0.75 0.10 -0.19 0.42 -0.68 0.00 0.00 175.30 175.71 1nly s ILE 244 N -0.18 2.14 -0.41 1.52 1.01 -0.55 -1.61 121.20 123.13 1nly s ILE 244 Ca 0.01 -0.95 -0.09 0.00 0.00 0.00 0.00 60.65 59.63 1nly s ILE 244 Cb -0.02 -1.92 0.07 0.00 0.01 0.00 0.00 42.46 40.60 1nly s ILE 244 CO -0.00 0.51 0.24 -0.63 0.00 0.00 0.00 174.94 175.05 1nly s ILE 245 N 1.29 4.14 -0.50 2.92 1.01 0.21 -2.28 121.20 128.00 1nly s ILE 245 Ca 0.04 -1.39 -0.23 0.00 0.00 0.00 0.00 60.65 59.08 1nly s ILE 245 Cb -0.13 -3.52 0.04 0.00 0.01 0.00 0.00 42.46 38.85 1nly s ILE 245 CO -0.12 -0.47 0.82 -0.76 0.00 0.00 0.00 174.94 174.40 1nly s LEU 246 N 1.41 4.33 0.08 2.97 1.02 -0.78 -0.78 118.68 126.93 1nly s LEU 246 Ca 0.03 -0.36 -0.15 0.00 0.02 0.00 0.00 54.13 53.66 1nly s LEU 246 Cb -0.22 -2.81 -0.03 0.00 0.02 0.00 0.00 46.19 43.14 1nly s LEU 246 CO 0.02 -1.04 0.82 0.61 0.02 0.00 0.00 176.35 176.78 1nly n GLY 247 N 5.08 -1.46 3.53 -3.19 0.00 0.19 -3.60 105.19 105.74 1nly n GLY 247 Ca 0.00 0.62 0.00 0.00 0.00 0.00 0.00 46.02 46.65 1nly n GLY 247 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1nly s GLU 248 N -5.05 0.44 -0.03 1.61 -1.05 -1.26 -3.36 118.70 109.99 1nly s GLU 248 Ca -0.06 1.08 -0.39 0.00 -0.15 0.00 0.00 54.97 55.45 1nly s GLU 248 Cb 0.05 0.63 -0.18 0.00 -0.44 0.00 0.00 34.13 34.20 1nly s GLU 248 CO 0.31 -0.15 1.33 1.28 0.95 0.00 0.00 175.26 178.98 1nly n LEU 249 N 5.15 1.22 -0.02 1.83 7.99 -0.85 -4.89 117.00 127.42 1nly n LEU 249 Ca -0.11 1.13 -0.03 0.00 -0.01 0.00 0.00 56.01 56.99 1nly n LEU 249 Cb 0.51 -1.08 -0.01 0.00 -0.11 0.00 0.00 43.42 42.73 1nly n LEU 249 CO -0.04 -1.21 -0.24 -1.14 -1.51 0.00 0.00 177.39 173.25 1nly n ARG 250 N 2.72 0.19 0.00 3.23 0.63 -1.26 -4.79 116.66 117.37 1nly n ARG 250 Ca 0.21 0.07 0.00 0.00 -0.92 0.00 0.00 57.85 57.21 1nly n ARG 250 Cb 0.13 -0.75 0.00 0.00 0.45 0.00 0.00 32.46 32.29 1nly n ARG 250 CO 0.00 0.00 0.00 -1.13 -2.51 0.00 0.00 177.63 173.99 1nly n SER 251 N -3.41 0.00 0.04 6.15 3.41 -1.26 -4.90 113.62 113.65 1nly n SER 251 Ca -0.05 0.00 -0.10 0.00 -0.26 0.00 0.00 58.87 58.46 1nly n SER 251 Cb 0.18 0.00 -0.08 0.00 -0.26 0.00 0.00 64.21 64.06 1nly n SER 251 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 175.04 175.16 1nly h SER 252 N 0.00 -0.16 0.17 4.04 0.02 -1.98 -3.20 113.55 112.44 1nly h SER 252 Ca 0.00 -0.38 -0.04 0.00 -0.84 0.00 0.00 61.79 60.53 1nly h SER 252 Cb 0.00 0.04 -0.01 0.00 0.14 0.00 0.00 62.40 62.58 1nly h SER 252 CO 0.00 0.42 -0.17 -0.33 -1.14 0.00 0.00 176.83 175.61 1nly h GLU 253 N -0.87 0.01 0.00 3.45 5.08 -1.93 -3.32 114.58 116.99 1nly h GLU 253 Ca -0.02 -0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.34 1nly h GLU 253 Cb 0.53 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.78 1nly h GLU 253 CO 0.03 0.18 0.00 0.00 -1.00 0.00 0.00 179.01 178.22 1nly n ALA 254 N -2.51 0.00 -0.09 3.43 0.00 -1.21 0.85 120.51 120.98 1nly n ALA 254 Ca -0.02 0.00 -0.13 0.00 0.00 0.00 0.00 53.44 53.29 1nly n ALA 254 Cb 0.24 0.17 -0.05 0.00 0.00 0.00 0.00 19.45 19.81 1nly n ALA 254 CO 0.00 0.00 0.00 -0.92 0.00 0.00 0.00 177.50 176.58 1nly h TYR 255 N 0.00 0.71 0.00 0.00 3.20 -1.76 -2.83 116.97 116.29 1nly h TYR 255 Ca 0.00 -0.20 0.00 0.00 3.14 0.00 0.00 58.73 61.67 1nly h TYR 255 Cb 0.00 -0.16 0.00 0.00 1.54 0.00 0.00 36.73 38.11 1nly h TYR 255 CO -0.32 0.89 0.00 -0.44 -1.64 0.00 0.00 178.16 176.64 1nly h ASP 256 N 0.33 0.00 0.50 -2.11 3.32 -1.17 0.43 116.42 117.72 1nly h ASP 256 Ca 0.05 0.00 -0.26 0.00 0.02 0.00 0.00 57.03 56.84 1nly h ASP 256 Cb 0.74 0.00 0.01 0.00 0.22 0.00 0.00 39.33 40.29 1nly h ASP 256 CO 0.05 0.00 -1.14 0.15 -1.72 0.00 0.00 179.24 176.58 1nly h PHE 257 N 0.00 0.56 -0.32 4.55 3.57 0.70 -2.81 116.94 123.19 1nly h PHE 257 Ca 0.00 -0.37 -0.03 0.00 3.53 0.00 0.00 57.97 61.11 1nly h PHE 257 Cb 0.10 -0.04 -0.01 0.00 2.79 0.00 0.00 35.95 38.78 1nly h PHE 257 CO 0.00 1.24 0.09 -0.92 -2.23 0.00 0.00 178.31 176.49 1nly h TYR 258 N 0.14 0.52 -0.57 0.41 3.20 -0.85 -1.29 116.97 118.53 1nly h TYR 258 Ca -0.12 -0.06 -0.07 0.00 3.14 0.00 0.00 58.73 61.63 1nly h TYR 258 Cb 1.83 -0.15 -0.02 0.00 1.54 0.00 0.00 36.73 39.93 1nly h TYR 258 CO 0.07 0.54 0.09 -0.91 -1.64 0.00 0.00 178.16 176.30 1nly h ASN 259 N 0.35 0.86 0.04 -2.11 2.35 -1.56 0.21 115.58 115.72 1nly h ASN 259 Ca 0.10 -0.18 -0.05 0.00 -0.55 0.00 0.00 56.30 55.61 1nly h ASN 259 Cb 0.27 -0.23 -0.01 0.00 0.05 0.00 0.00 38.32 38.40 1nly h ASN 259 CO -0.00 0.87 -0.15 0.58 -1.65 0.00 0.00 177.43 177.07 1nly h VAL 260 N 0.86 1.19 0.04 2.81 2.07 -1.21 -1.31 116.25 120.69 1nly h VAL 260 Ca 0.18 -0.85 -0.23 0.00 0.82 0.00 0.00 66.70 66.61 1nly h VAL 260 Cb 0.38 1.25 -0.00 0.00 -1.52 0.00 0.00 31.29 31.40 1nly h VAL 260 CO 0.01 0.26 -1.01 -0.07 0.02 0.00 0.00 177.57 176.78 1nly h LEU 261 N 0.22 0.41 -1.65 2.57 3.38 -0.12 -2.94 115.31 117.19 1nly h LEU 261 Ca 0.04 -0.36 -0.03 0.00 0.09 0.00 0.00 57.88 57.62 1nly h LEU 261 Cb 0.41 -0.13 -0.00 0.00 0.09 0.00 0.00 40.66 41.03 1nly h LEU 261 CO 0.03 1.20 -0.13 0.00 0.09 0.00 0.00 178.44 179.62 1nly n SER 263 N -3.43 1.16 -2.85 0.00 3.41 -0.58 -4.91 113.62 106.42 1nly n SER 263 Ca -0.01 -1.80 -0.13 0.00 -0.26 0.00 0.00 58.87 56.67 1nly n SER 263 Cb 0.30 -0.11 0.07 0.00 -0.26 0.00 0.00 64.21 64.21 1nly n SER 263 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1nly n GLY 264 N 0.94 -0.23 3.75 5.00 0.00 -0.47 -4.98 105.19 109.20 1nly n GLY 264 Ca 0.12 0.01 -0.40 0.00 0.00 0.00 0.00 46.02 45.75 1nly n GLY 264 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 1nly s HIS 265 N -3.28 3.87 0.00 1.61 5.04 -1.11 -5.05 115.29 116.37 1nly s HIS 265 Ca 0.04 1.70 0.00 0.00 -1.54 0.00 0.00 55.06 55.26 1nly s HIS 265 Cb -0.01 -2.89 0.00 0.00 0.04 0.00 0.00 32.58 29.72 1nly s HIS 265 CO 0.56 0.38 0.00 1.17 -2.34 0.00 0.00 174.74 174.51 1nly n LYS 266 N 2.09 0.00 -2.91 2.88 3.00 -1.26 -4.68 118.16 117.27 1nly n LYS 266 Ca -0.02 0.00 -0.43 0.00 -0.00 0.00 0.00 58.31 57.86 1nly n LYS 266 Cb 0.49 0.00 -0.04 0.00 0.00 0.00 0.00 35.03 35.47 1nly n LYS 266 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.40 177.60 1nly s GLY 267 N 0.00 1.48 -0.11 3.14 0.00 -1.19 -4.40 107.32 106.24 1nly s GLY 267 Ca 0.00 -1.55 -0.01 0.00 0.00 0.00 0.00 44.72 43.16 1nly s GLY 267 CO 0.00 1.93 -0.06 -1.59 0.00 0.00 0.00 173.10 173.38 1nly s THR 268 N 3.69 3.77 -0.03 0.90 2.01 -1.23 -1.48 115.64 123.26 1nly s THR 268 Ca 0.24 -0.43 -0.01 0.00 0.31 0.00 0.00 61.69 61.80 1nly s THR 268 Cb -0.15 -2.59 0.03 0.00 0.01 0.00 0.00 72.50 69.79 1nly s THR 268 CO 0.15 0.55 0.06 -0.22 -0.69 0.00 0.00 174.62 174.46 1nly s LEU 269 N -0.22 0.65 -0.03 4.42 2.96 -0.96 -0.57 118.68 124.93 1nly s LEU 269 Ca 0.03 0.09 -0.18 0.00 -0.22 0.00 0.00 54.13 53.85 1nly s LEU 269 Cb -0.13 -0.05 0.03 0.00 0.50 0.00 0.00 46.19 46.55 1nly s LEU 269 CO 0.03 -0.18 0.38 0.28 -1.32 0.00 0.00 176.35 175.54 1nly s THR 270 N 1.54 0.04 0.17 3.68 -1.32 -0.58 -1.86 115.64 117.31 1nly s THR 270 Ca -0.03 -0.37 0.00 0.00 -1.21 0.00 0.00 61.69 60.08 1nly s THR 270 Cb -0.12 -0.68 -0.04 0.00 -1.51 0.00 0.00 72.50 70.14 1nly s THR 270 CO -0.03 -0.20 0.34 0.42 -2.21 0.00 0.00 174.62 172.93 1nly s THR 271 N -1.24 5.26 -0.01 5.08 -4.23 -1.21 -0.77 115.64 118.52 1nly s THR 271 Ca -0.13 -0.45 -0.23 0.00 -1.18 0.00 0.00 61.69 59.70 1nly s THR 271 Cb -0.04 -3.72 0.05 0.00 1.34 0.00 0.00 72.50 70.13 1nly s THR 271 CO 0.05 -0.10 0.51 -0.22 -0.54 0.00 0.00 174.62 174.32 1nly s LEU 272 N -3.17 0.02 -0.53 4.79 2.96 0.16 -2.01 118.68 120.90 1nly s LEU 272 Ca 0.37 0.36 -0.26 0.00 -0.22 0.00 0.00 54.13 54.38 1nly s LEU 272 Cb -0.11 1.99 0.03 0.00 0.50 0.00 0.00 46.19 48.60 1nly s LEU 272 CO 0.28 -0.58 0.99 -1.00 -1.32 0.00 0.00 176.35 174.73 1nly s HIS 273 N -1.56 2.79 -0.17 5.38 3.76 -1.26 -2.25 115.29 121.98 1nly s HIS 273 Ca -0.10 0.22 -0.28 0.00 -0.15 0.00 0.00 55.06 54.74 1nly s HIS 273 Cb -0.02 -4.15 0.07 0.00 1.11 0.00 0.00 32.58 29.59 1nly s HIS 273 CO 0.05 -1.32 0.71 0.00 -0.85 0.00 0.00 174.74 173.32 1nly s ALA 274 N 4.11 -1.78 -1.72 -1.40 0.00 -1.23 -4.89 121.76 114.86 1nly s ALA 274 Ca 0.36 1.70 0.29 0.00 0.00 0.00 0.00 51.96 54.30 1nly s ALA 274 Cb -0.11 -0.63 1.18 0.00 0.00 0.00 0.00 23.12 23.57 1nly s ALA 274 CO 0.23 -0.35 1.83 0.41 0.00 0.00 0.00 175.76 177.88 1nly n GLY 275 N 1.84 -0.85 3.85 0.00 0.00 -1.26 -1.65 105.19 107.12 1nly n GLY 275 Ca -0.16 -0.29 0.04 0.00 0.00 0.00 0.00 46.02 45.61 1nly n GLY 275 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1nly n SER 276 N -0.86 -1.01 0.42 1.61 3.41 -1.26 -4.98 113.62 110.96 1nly n SER 276 Ca 0.15 -1.07 -0.17 0.00 -0.26 0.00 0.00 58.87 57.53 1nly n SER 276 Cb 0.28 1.53 -0.08 0.00 -0.26 0.00 0.00 64.21 65.68 1nly n SER 276 CO 0.00 0.00 0.00 -1.28 -0.16 0.00 0.00 175.04 173.60 1nly h SER 277 N 1.91 -0.91 -0.87 4.04 0.87 -1.95 0.27 113.55 116.91 1nly h SER 277 Ca -0.19 0.03 0.13 0.00 -1.23 0.00 0.00 61.79 60.54 1nly h SER 277 Cb 1.12 0.24 -0.07 0.00 -0.44 0.00 0.00 62.40 63.25 1nly h SER 277 CO 0.28 -0.59 0.56 -0.08 -0.53 0.00 0.00 176.83 176.48 1nly h GLU 278 N -1.21 0.67 -0.13 2.24 4.57 -2.00 -1.23 114.58 117.48 1nly h GLU 278 Ca -0.11 -0.04 -0.02 0.00 -1.18 0.00 0.00 59.36 58.01 1nly h GLU 278 Cb 0.83 -0.15 -0.00 0.00 -0.16 0.00 0.00 28.75 29.26 1nly h GLU 278 CO 0.18 0.44 0.00 0.93 -1.18 0.00 0.00 179.01 179.39 1nly h GLU 279 N 0.69 0.22 -0.83 1.92 5.08 -1.89 -2.97 114.58 116.79 1nly h GLU 279 Ca 0.43 -0.07 0.16 0.00 -1.00 0.00 0.00 59.36 58.88 1nly h GLU 279 Cb 0.67 -0.02 -0.10 0.00 0.50 0.00 0.00 28.75 29.80 1nly h GLU 279 CO -0.19 0.45 0.39 0.00 -1.00 0.00 0.00 179.01 178.66 1nly h ALA 280 N 0.76 1.25 -1.00 3.43 0.00 0.71 0.61 119.26 125.03 1nly h ALA 280 Ca 0.04 0.11 0.01 0.00 0.00 0.00 0.00 54.91 55.07 1nly h ALA 280 Cb 0.35 0.05 -0.05 0.00 0.00 0.00 0.00 17.79 18.14 1nly h ALA 280 CO 0.01 -0.18 0.66 0.74 0.00 0.00 0.00 179.25 180.48 1nly h PHE 281 N 0.52 1.26 -0.06 0.00 0.05 -1.29 0.18 116.94 117.59 1nly h PHE 281 Ca 0.47 0.03 -0.16 0.00 3.82 0.00 0.00 57.97 62.13 1nly h PHE 281 Cb 0.74 -0.42 0.01 0.00 2.00 0.00 0.00 35.95 38.28 1nly h PHE 281 CO -0.12 0.78 -0.58 0.82 -0.18 0.00 0.00 178.31 179.02 1nly h ILE 282 N 1.35 1.38 -0.76 -0.55 2.04 -0.87 -2.71 117.51 117.37 1nly h ILE 282 Ca 0.37 -1.94 0.15 0.00 1.00 0.00 0.00 64.86 64.44 1nly h ILE 282 Cb -0.13 2.33 -0.10 0.00 -0.74 0.00 0.00 36.82 38.18 1nly h ILE 282 CO -0.09 0.58 0.29 -0.09 0.00 0.00 0.00 178.15 178.84 1nly h ARG 283 N 0.08 0.40 0.15 2.37 9.65 0.62 -0.95 114.38 126.71 1nly h ARG 283 Ca -0.05 -0.02 -0.01 0.00 -1.10 0.00 0.00 59.98 58.79 1nly h ARG 283 Cb 1.25 -0.09 0.00 0.00 -1.39 0.00 0.00 29.97 29.74 1nly h ARG 283 CO 0.12 0.26 -0.07 -0.07 2.80 0.00 0.00 179.97 183.01 1nly h LEU 284 N 0.41 -0.17 -0.67 3.80 3.38 -0.94 -3.15 115.31 117.97 1nly h LEU 284 Ca 0.43 -0.29 0.14 0.00 0.09 0.00 0.00 57.88 58.24 1nly h LEU 284 Cb 0.68 0.05 -0.10 0.00 0.09 0.00 0.00 40.66 41.38 1nly h LEU 284 CO -0.43 0.22 0.15 0.00 0.09 0.00 0.00 178.44 178.47 1nly h ALA 285 N 0.15 0.83 0.00 1.53 0.00 -1.12 -0.87 119.26 119.78 1nly h ALA 285 Ca -0.02 0.15 0.00 0.00 0.00 0.00 0.00 54.91 55.04 1nly h ALA 285 Cb 0.46 0.20 0.00 0.00 0.00 0.00 0.00 17.79 18.45 1nly h ALA 285 CO 0.03 -0.32 0.00 0.09 0.00 0.00 0.00 179.25 179.06 1nly n ASN 286 N -5.14 0.00 0.00 0.00 5.03 -0.40 -1.38 115.26 113.37 1nly n ASN 286 Ca 0.12 0.00 0.00 0.00 0.87 0.00 0.00 54.58 55.57 1nly n ASN 286 Cb 0.39 0.00 0.00 0.00 -1.02 0.00 0.00 39.78 39.15 1nly n ASN 286 CO 0.00 0.00 0.00 -1.20 -1.83 0.00 0.00 177.26 174.23 1nly n SER 288 N -0.19 0.00 0.08 6.41 7.64 -0.33 -2.64 113.62 124.58 1nly n SER 288 Ca 0.00 0.00 0.05 0.00 1.01 0.00 0.00 58.87 59.93 1nly n SER 288 Cb 0.00 0.00 0.28 0.00 -1.01 0.00 0.00 64.21 63.48 1nly n SER 288 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 1nly n SER 289 N 0.00 0.27 0.11 6.43 7.64 -0.48 -0.72 113.62 126.87 1nly n SER 289 Ca 0.00 0.62 -0.03 0.00 1.01 0.00 0.00 58.87 60.48 1nly n SER 289 Cb 0.00 -0.66 0.04 0.00 -1.01 0.00 0.00 64.21 62.59 1nly n SER 289 CO 0.00 0.00 0.00 0.77 -3.01 0.00 0.00 175.04 172.80 1nly h SER 290 N 0.00 0.00 -3.28 6.43 4.64 -1.78 -3.44 113.55 116.12 1nly h SER 290 Ca 0.00 0.00 -0.54 0.00 -0.47 0.00 0.00 61.79 60.78 1nly h SER 290 Cb 0.00 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.08 1nly h SER 290 CO 0.00 0.75 0.50 0.21 -0.87 0.00 0.00 176.83 177.42 1nly s ASN 291 N -6.71 7.22 0.26 4.97 2.47 0.11 -4.93 114.94 118.31 1nly s ASN 291 Ca 0.00 1.78 -0.05 0.00 0.42 0.00 0.00 52.86 55.02 1nly s ASN 291 Cb 0.11 -2.57 0.50 0.00 -1.45 0.00 0.00 41.25 37.84 1nly s ASN 291 CO 0.78 -0.39 1.64 0.28 -3.72 0.00 0.00 177.10 175.68 1nly h SER 292 N 6.92 -0.27 0.00 -4.21 0.02 -1.85 0.30 113.55 114.46 1nly h SER 292 Ca -0.39 0.20 0.00 0.00 -0.84 0.00 0.00 61.79 60.75 1nly h SER 292 Cb 1.20 0.33 0.00 0.00 0.14 0.00 0.00 62.40 64.07 1nly h SER 292 CO 0.80 -0.17 0.34 0.00 -1.14 0.00 0.00 176.83 176.66 1nly h ALA 293 N 1.73 1.31 0.00 3.77 0.00 -1.92 1.40 119.26 125.55 1nly h ALA 293 Ca 0.45 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.36 1nly h ALA 293 Cb 0.81 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.60 1nly h ALA 293 CO -0.67 -0.31 -0.65 0.00 0.00 0.00 0.00 179.25 177.63 1nly n ALA 294 N -1.76 3.78 -0.25 0.00 0.00 0.11 -4.52 120.51 117.87 1nly n ALA 294 Ca -0.02 -0.40 0.08 0.00 0.00 0.00 0.00 53.44 53.10 1nly n ALA 294 Cb 0.38 -1.04 0.16 0.00 0.00 0.00 0.00 19.45 18.95 1nly n ALA 294 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1nly n ARG 295 N -1.55 -0.06 -0.49 0.00 3.00 0.48 0.25 116.66 118.29 1nly n ARG 295 Ca 0.05 1.10 0.06 0.00 -0.01 0.00 0.00 57.85 59.05 1nly n ARG 295 Cb 0.34 -1.70 0.26 0.00 0.00 0.00 0.00 32.46 31.36 1nly n ARG 295 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.63 177.72 1nly n ASN 296 N -5.08 3.71 -4.38 0.55 4.13 -1.26 -4.88 115.26 108.06 1nly n ASN 296 Ca 0.15 -2.41 -0.35 0.00 1.68 0.00 0.00 54.58 53.64 1nly n ASN 296 Cb 0.47 -0.53 -0.13 0.00 -1.54 0.00 0.00 39.78 38.05 1nly n ASN 296 CO 0.00 0.00 0.00 -0.63 0.28 0.00 0.00 177.26 176.91 1nly s ILE 297 N -1.90 3.72 -0.01 2.41 1.01 0.14 -5.07 121.20 121.50 1nly s ILE 297 Ca 0.36 -0.38 -0.37 0.00 0.00 0.00 0.00 60.65 60.26 1nly s ILE 297 Cb 0.25 -2.70 -0.15 0.00 0.01 0.00 0.00 42.46 39.87 1nly s ILE 297 CO 0.15 0.41 1.55 2.29 0.00 0.00 0.00 174.94 179.34 1nly n LYS 298 N 4.65 1.47 0.03 2.79 -0.00 -1.26 -4.89 118.16 120.94 1nly n LYS 298 Ca -0.17 0.53 -0.12 0.00 -0.00 0.00 0.00 58.31 58.54 1nly n LYS 298 Cb 0.51 -2.23 -0.06 0.00 -0.00 0.00 0.00 35.03 33.25 1nly n LYS 298 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 177.40 177.75 1nly h PHE 299 N 6.04 -1.12 0.00 5.58 3.57 -1.97 0.37 116.94 129.41 1nly h PHE 299 Ca -0.47 0.04 0.00 0.00 3.53 0.00 0.00 57.97 61.07 1nly h PHE 299 Cb 1.31 0.50 0.00 0.00 2.79 0.00 0.00 35.95 40.55 1nly h PHE 299 CO 0.68 -0.47 0.00 0.39 -2.23 0.00 0.00 178.31 176.68 1nly n GLU 300 N -5.44 0.02 0.05 1.11 -0.58 -1.26 -0.54 120.64 114.00 1nly n GLU 300 Ca -0.05 0.28 -0.02 0.00 -0.42 0.00 0.00 57.16 56.96 1nly n GLU 300 Cb 0.36 -1.50 -0.08 0.00 -0.57 0.00 0.00 31.44 29.65 1nly n GLU 300 CO 0.00 0.00 0.00 1.03 -0.48 0.00 0.00 177.13 177.68 1nly h SER 301 N 0.00 0.00 -0.00 1.62 0.87 -0.62 -3.24 113.55 112.18 1nly h SER 301 Ca 0.00 0.00 -0.00 0.00 -1.23 0.00 0.00 61.79 60.56 1nly h SER 301 Cb 0.01 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 61.97 1nly h SER 301 CO 0.00 0.67 -0.00 -0.07 -0.53 0.00 0.00 176.83 176.90 1nly h LEU 302 N 0.00 0.00 -0.31 2.23 3.38 -0.44 -2.23 115.31 117.94 1nly h LEU 302 Ca -0.14 -0.79 0.07 0.00 0.09 0.00 0.00 57.88 57.11 1nly h LEU 302 Cb 1.64 -0.00 -0.07 0.00 0.09 0.00 0.00 40.66 42.32 1nly h LEU 302 CO 0.06 0.79 -0.15 0.40 0.09 0.00 0.00 178.44 179.63 1nly h ILE 303 N -0.78 0.54 -0.75 1.22 2.04 -1.68 0.68 117.51 118.78 1nly h ILE 303 Ca -0.00 0.00 0.02 0.00 1.00 0.00 0.00 64.86 65.88 1nly h ILE 303 Cb 0.79 0.54 -0.04 0.00 -0.74 0.00 0.00 36.82 37.36 1nly h ILE 303 CO 0.00 0.00 0.49 -0.33 0.00 0.00 0.00 178.15 178.31 1nly h GLU 304 N -0.10 0.93 -0.25 2.37 5.08 -1.65 -0.28 114.58 120.68 1nly h GLU 304 Ca 0.16 -0.06 0.00 0.00 -1.00 0.00 0.00 59.36 58.47 1nly h GLU 304 Cb 0.35 -0.21 -0.01 0.00 0.50 0.00 0.00 28.75 29.38 1nly h GLU 304 CO -0.38 0.61 0.17 0.78 -1.00 0.00 0.00 179.01 179.19 1nly h GLY 305 N 0.95 0.35 2.00 -3.84 0.00 0.75 -1.92 103.07 101.36 1nly h GLY 305 Ca 0.29 -0.13 -0.08 0.00 0.00 0.00 0.00 47.33 47.41 1nly h GLY 305 CO -0.08 0.13 -0.36 0.74 0.00 0.00 0.00 176.54 176.97 1nly h PHE 306 N 0.34 0.00 0.00 5.60 -1.00 0.51 -2.63 116.94 119.76 1nly h PHE 306 Ca 0.09 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.87 1nly h PHE 306 Cb -0.04 0.00 0.00 0.00 3.61 0.00 0.00 35.95 39.52 1nly h PHE 306 CO -0.06 0.36 0.00 1.63 -1.61 0.00 0.00 178.31 178.63 1nly n LYS 307 N -3.86 0.22 -0.02 1.51 5.02 -0.18 -1.16 118.16 119.69 1nly n LYS 307 Ca -0.01 0.34 -0.16 0.00 -2.02 0.00 0.00 58.31 56.46 1nly n LYS 307 Cb 0.43 -1.85 -0.14 0.00 -0.02 0.00 0.00 35.03 33.45 1nly n LYS 307 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 1nly n ASP 308 N -2.25 1.51 0.03 4.39 8.00 -0.85 -4.57 116.55 122.82 1nly n ASP 308 Ca 0.04 0.25 -0.20 0.00 0.71 0.00 0.00 54.79 55.58 1nly n ASP 308 Cb 0.31 -0.41 -0.14 0.00 -0.02 0.00 0.00 41.12 40.85 1nly n ASP 308 CO 0.00 0.00 0.00 -0.07 -0.39 0.00 0.00 177.20 176.74 1nly h LEU 309 N 0.04 0.42 -9.01 0.64 3.38 -1.35 -3.45 115.31 105.98 1nly h LEU 309 Ca -0.39 -0.94 -0.57 0.00 0.09 0.00 0.00 57.88 56.07 1nly h LEU 309 Cb 2.03 -0.14 -0.04 0.00 0.09 0.00 0.00 40.66 42.61 1nly h LEU 309 CO 0.07 1.40 1.04 -0.63 0.09 0.00 0.00 178.44 180.40 1nly s ILE 310 N -2.42 3.94 -0.24 1.22 -1.09 -0.31 -4.71 121.20 117.59 1nly s ILE 310 Ca -0.15 1.06 0.28 0.00 -2.23 0.00 0.00 60.65 59.62 1nly s ILE 310 Cb 0.01 -3.93 0.31 0.00 -1.58 0.00 0.00 42.46 37.27 1nly s ILE 310 CO 0.81 -0.36 1.83 0.44 -1.23 0.00 0.00 174.94 176.43 1nly h ASP 311 N 9.87 0.00 -4.07 3.58 3.32 -1.62 -3.44 116.42 124.07 1nly h ASP 311 Ca -0.30 0.00 -0.04 0.00 0.02 0.00 0.00 57.03 56.71 1nly h ASP 311 Cb 1.12 0.00 -0.21 0.00 0.22 0.00 0.00 39.33 40.47 1nly h ASP 311 CO 1.01 0.00 0.13 -0.63 -1.72 0.00 0.00 179.24 178.04 1nly s ILE 313 N -3.46 0.00 -0.14 0.35 1.01 0.31 -0.02 121.20 119.24 1nly s ILE 313 Ca 0.03 -0.00 0.01 0.00 0.00 0.00 0.00 60.65 60.69 1nly s ILE 313 Cb 0.09 -1.00 0.02 0.00 0.01 0.00 0.00 42.46 41.58 1nly s ILE 313 CO 0.47 -0.00 -0.16 -0.69 0.00 0.00 0.00 174.94 174.56 1nly s VAL 314 N 0.27 1.69 -0.03 2.92 1.01 -0.03 -0.97 120.40 125.26 1nly s VAL 314 Ca -0.01 -0.72 0.02 0.00 0.00 0.00 0.00 61.98 61.27 1nly s VAL 314 Cb -0.05 -1.55 -0.03 0.00 0.00 0.00 0.00 36.38 34.75 1nly s VAL 314 CO 0.02 0.48 -0.05 -2.28 0.00 0.00 0.00 175.10 173.26 1nly s HIS 315 N 1.29 2.95 -0.13 5.22 2.46 -0.78 -0.85 115.29 125.44 1nly s HIS 315 Ca 0.01 0.02 0.02 0.00 0.47 0.00 0.00 55.06 55.58 1nly s HIS 315 Cb -0.14 -1.67 0.01 0.00 -0.13 0.00 0.00 32.58 30.66 1nly s HIS 315 CO -0.08 0.38 -0.20 0.42 -2.47 0.00 0.00 174.74 172.78 1nly s ILE 316 N -0.93 1.90 0.90 0.89 1.01 -0.80 -1.96 121.20 122.21 1nly s ILE 316 Ca 0.15 -0.88 -0.15 0.00 0.00 0.00 0.00 60.65 59.77 1nly s ILE 316 Cb -0.11 -1.70 0.22 0.00 0.01 0.00 0.00 42.46 40.88 1nly s ILE 316 CO 0.05 0.52 0.93 -0.46 0.00 0.00 0.00 174.94 175.98 1nly n ASN 317 N 4.16 -1.20 0.00 3.58 0.23 -0.38 -4.21 115.26 117.44 1nly n ASN 317 Ca -0.20 -1.15 0.07 0.00 -0.53 0.00 0.00 54.58 52.78 1nly n ASN 317 Cb 0.51 -0.80 0.33 0.00 -2.08 0.00 0.00 39.78 37.75 1nly n ASN 317 CO 0.00 0.00 0.00 1.41 -0.93 0.00 0.00 177.26 177.74 1nly n HIS 318 N -4.05 0.00 -0.93 -2.53 8.25 -1.26 -2.18 115.22 112.51 1nly n HIS 318 Ca 0.12 0.00 0.04 0.00 -0.26 0.00 0.00 57.72 57.63 1nly n HIS 318 Cb 0.46 -0.41 0.39 0.00 1.12 0.00 0.00 29.99 31.55 1nly n HIS 318 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70 1nly n HIS 319 N -1.41 2.19 -3.66 4.41 8.25 -1.26 -4.94 115.22 118.80 1nly n HIS 319 Ca 0.05 -0.83 -0.30 0.00 -0.26 0.00 0.00 57.72 56.38 1nly n HIS 319 Cb 0.15 -0.56 0.04 0.00 1.12 0.00 0.00 29.99 30.74 1nly n HIS 319 CO 0.00 0.00 0.00 1.63 0.64 0.00 0.00 176.34 178.61 1nly n LYS 320 N 0.47 -1.24 -3.75 -0.41 5.02 -0.93 -5.01 118.16 112.32 1nly n LYS 320 Ca 0.31 0.51 -0.13 0.00 -2.02 0.00 0.00 58.31 56.97 1nly n LYS 320 Cb 1.25 -4.14 -0.11 0.00 -0.02 0.00 0.00 35.03 32.01 1nly n LYS 320 CO 0.00 0.00 0.00 -0.65 -0.52 0.00 0.00 177.40 176.23 1nly s GLN 321 N -5.82 0.39 0.16 1.97 -0.21 -1.26 -4.89 119.66 109.99 1nly s GLN 321 Ca 0.45 0.48 -0.30 0.00 0.02 0.00 0.00 55.36 56.01 1nly s GLN 321 Cb -0.16 0.17 -0.08 0.00 1.00 0.00 0.00 33.01 33.94 1nly s GLN 321 CO 0.86 -0.06 1.34 0.00 -2.12 0.00 0.00 175.29 175.31 1nly n ASP 323 N 3.15 0.66 -3.66 0.00 5.75 -0.83 -4.32 116.55 117.30 1nly n ASP 323 Ca 0.08 -1.05 -0.07 0.00 -0.01 0.00 0.00 54.79 53.74 1nly n ASP 323 Cb 0.43 0.00 -0.08 0.00 -1.03 0.00 0.00 41.12 40.44 1nly n ASP 323 CO 0.00 0.00 0.00 -0.70 -0.11 0.00 0.00 177.20 176.39 1nly s GLU 324 N -0.05 0.52 -0.59 0.11 2.12 -1.24 -4.95 118.70 114.61 1nly s GLU 324 Ca 0.00 1.14 0.05 0.00 0.36 0.00 0.00 54.97 56.53 1nly s GLU 324 Cb 0.00 0.34 0.20 0.00 0.26 0.00 0.00 34.13 34.92 1nly s GLU 324 CO 0.00 -0.19 0.53 0.34 -0.54 0.00 0.00 175.26 175.40 1nly n PHE 325 N 4.84 2.03 -2.21 5.30 7.35 -1.26 -1.87 117.46 131.64 1nly n PHE 325 Ca -0.16 -3.97 -0.41 0.00 -0.76 0.00 0.00 57.45 52.15 1nly n PHE 325 Cb 0.53 -0.39 -0.03 0.00 0.35 0.00 0.00 39.48 39.95 1nly n PHE 325 CO 0.00 0.00 0.00 -0.47 -0.76 0.00 0.00 176.76 175.53 1nly s TYR 326 N -1.36 3.22 0.06 -5.13 5.04 -0.14 -4.90 117.35 114.13 1nly s TYR 326 Ca 0.32 1.35 0.00 0.00 -2.44 0.00 0.00 57.07 56.30 1nly s TYR 326 Cb 0.05 -3.59 -0.04 0.00 0.35 0.00 0.00 41.96 38.73 1nly s TYR 326 CO -0.13 -1.71 -0.05 0.42 -1.34 0.00 0.00 175.55 172.74 1nly s ILE 327 N -0.53 0.39 0.00 3.14 1.01 -1.26 -0.53 121.20 123.42 1nly s ILE 327 Ca 0.52 -1.66 0.00 0.00 0.00 0.00 0.00 60.65 59.51 1nly s ILE 327 Cb -0.37 -1.32 0.00 0.00 0.01 0.00 0.00 42.46 40.78 1nly s ILE 327 CO 0.44 -0.83 0.00 0.29 0.00 0.00 0.00 174.94 174.84