#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1pii s GLN 2 N 0.00 3.80 1.05 0.03 0.74 -1.26 -5.10 119.66 118.91 1pii s GLN 2 Ca 0.00 0.24 -0.16 0.00 0.05 0.00 0.00 55.36 55.50 1pii s GLN 2 Cb 0.00 -3.22 0.22 0.00 1.10 0.00 0.00 33.01 31.10 1pii s GLN 2 CO 0.00 0.70 1.15 0.95 -0.55 0.00 0.00 175.29 177.54 1pii s THR 3 N -0.99 1.85 0.09 -0.34 -4.23 -1.26 -4.87 115.64 105.89 1pii s THR 3 Ca 0.21 0.00 -0.20 0.00 -1.18 0.00 0.00 61.69 60.52 1pii s THR 3 Cb -0.15 -2.66 -0.09 0.00 1.34 0.00 0.00 72.50 70.94 1pii s THR 3 CO 0.10 0.00 1.62 0.58 -0.54 0.00 0.00 174.62 176.38 1pii h VAL 4 N -2.01 1.17 -0.57 2.29 2.07 -1.65 -2.20 116.25 115.34 1pii h VAL 4 Ca -0.48 -0.51 0.10 0.00 0.82 0.00 0.00 66.70 66.63 1pii h VAL 4 Cb 1.30 1.15 -0.08 0.00 -1.52 0.00 0.00 31.29 32.14 1pii h VAL 4 CO 0.46 0.16 0.15 0.25 0.02 0.00 0.00 177.57 178.62 1pii h LEU 5 N 0.15 0.07 -1.05 2.57 6.46 -1.60 0.39 115.31 122.30 1pii h LEU 5 Ca 0.06 0.09 -0.01 0.00 -0.12 0.00 0.00 57.88 57.91 1pii h LEU 5 Cb 0.19 0.11 -0.04 0.00 -0.73 0.00 0.00 40.66 40.19 1pii h LEU 5 CO -0.00 0.05 0.48 0.00 -0.62 0.00 0.00 178.44 178.35 1pii h ALA 6 N 1.43 1.28 -0.38 1.25 0.00 -1.83 -0.06 119.26 120.94 1pii h ALA 6 Ca 0.29 -0.11 -0.10 0.00 0.00 0.00 0.00 54.91 54.99 1pii h ALA 6 Cb 0.40 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 17.85 1pii h ALA 6 CO -0.35 0.60 -0.16 -0.22 0.00 0.00 0.00 179.25 179.12 1pii h LYS 7 N 1.15 0.78 -0.51 0.00 1.63 -0.62 0.20 116.57 119.21 1pii h LYS 7 Ca 0.30 -0.33 -0.06 0.00 -0.85 0.00 0.00 60.65 59.70 1pii h LYS 7 Cb -0.01 -0.03 -0.02 0.00 -0.60 0.00 0.00 32.23 31.57 1pii h LYS 7 CO -0.05 0.95 0.08 0.82 -3.45 0.00 0.00 179.45 177.80 1pii h ILE 8 N 0.58 1.25 -0.46 2.00 2.04 -0.31 -2.13 117.51 120.50 1pii h ILE 8 Ca 0.09 -0.95 -0.11 0.00 1.00 0.00 0.00 64.86 64.89 1pii h ILE 8 Cb 0.70 0.87 -0.02 0.00 -0.74 0.00 0.00 36.82 37.64 1pii h ILE 8 CO 0.05 0.34 -0.17 0.58 0.00 0.00 0.00 178.15 178.95 1pii h VAL 9 N 0.73 1.27 -0.72 1.67 2.07 -0.94 0.69 116.25 121.01 1pii h VAL 9 Ca 0.15 -1.29 0.03 0.00 0.82 0.00 0.00 66.70 66.41 1pii h VAL 9 Cb 0.41 1.09 -0.04 0.00 -1.52 0.00 0.00 31.29 31.23 1pii h VAL 9 CO 0.01 0.44 0.47 0.00 0.02 0.00 0.00 177.57 178.52 1pii h ALA 10 N 1.03 1.56 0.00 1.67 0.00 -0.43 -1.35 119.26 121.75 1pii h ALA 10 Ca 0.11 -0.04 -0.12 0.00 0.00 0.00 0.00 54.91 54.87 1pii h ALA 10 Cb 0.70 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 18.22 1pii h ALA 10 CO 0.05 0.37 -0.57 -0.44 0.00 0.00 0.00 179.25 178.67 1pii h ASP 11 N 0.89 0.00 -0.54 0.00 3.32 -0.83 -3.07 116.42 116.19 1pii h ASP 11 Ca 0.28 0.00 -0.11 0.00 0.02 0.00 0.00 57.03 57.22 1pii h ASP 11 Cb 0.02 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 39.55 1pii h ASP 11 CO -0.08 0.57 -0.08 0.50 -1.72 0.00 0.00 179.24 178.43 1pii h LYS 12 N 0.00 1.02 -0.99 3.56 1.63 0.25 -0.53 116.57 121.51 1pii h LYS 12 Ca -0.01 -0.36 0.07 0.00 -0.85 0.00 0.00 60.65 59.51 1pii h LYS 12 Cb 1.16 -0.08 -0.07 0.00 -0.60 0.00 0.00 32.23 32.65 1pii h LYS 12 CO 0.07 1.05 0.64 0.00 -3.45 0.00 0.00 179.45 177.76 1pii h ALA 13 N 0.98 1.40 -0.22 5.00 0.00 -1.34 0.46 119.26 125.53 1pii h ALA 13 Ca 0.15 -0.02 -0.05 0.00 0.00 0.00 0.00 54.91 55.00 1pii h ALA 13 Cb 0.64 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 18.13 1pii h ALA 13 CO 0.04 0.40 -0.04 0.82 0.00 0.00 0.00 179.25 180.47 1pii h ILE 14 N 1.14 1.28 -0.58 0.00 2.04 -1.46 -1.35 117.51 118.58 1pii h ILE 14 Ca 0.44 -1.02 0.04 0.00 1.00 0.00 0.00 64.86 65.32 1pii h ILE 14 Cb 0.21 1.49 -0.04 0.00 -0.74 0.00 0.00 36.82 37.74 1pii h ILE 14 CO -0.19 0.31 0.32 -0.25 0.00 0.00 0.00 178.15 178.35 1pii h TRP 15 N 0.16 0.60 -0.16 1.37 7.01 0.42 -2.32 115.95 123.02 1pii h TRP 15 Ca 0.06 0.02 0.03 0.00 2.11 0.00 0.00 58.89 61.11 1pii h TRP 15 Cb 0.49 -0.18 -0.03 0.00 -2.10 0.00 0.00 29.16 27.33 1pii h TRP 15 CO 0.05 0.31 -0.06 0.28 -2.79 0.00 0.00 178.44 176.23 1pii h VAL 16 N 0.62 0.80 -0.96 2.65 2.07 0.13 -1.49 116.25 120.07 1pii h VAL 16 Ca 0.25 0.00 0.03 0.00 0.82 0.00 0.00 66.70 67.80 1pii h VAL 16 Cb 0.11 0.80 -0.05 0.00 -1.52 0.00 0.00 31.29 30.62 1pii h VAL 16 CO -0.14 0.00 0.63 -0.33 0.02 0.00 0.00 177.57 177.75 1pii h GLU 17 N -0.03 1.20 -0.25 1.57 3.07 -1.13 -2.03 114.58 116.98 1pii h GLU 17 Ca 0.08 -0.07 -0.16 0.00 -0.50 0.00 0.00 59.36 58.71 1pii h GLU 17 Cb 0.15 -0.27 0.00 0.00 -0.84 0.00 0.00 28.75 27.79 1pii h GLU 17 CO -0.18 0.79 -0.48 0.00 -1.40 0.00 0.00 179.01 177.74 1pii h ALA 18 N 1.38 0.39 -0.07 3.43 0.00 -1.19 -3.12 119.26 120.09 1pii h ALA 18 Ca 0.38 -0.49 -0.04 0.00 0.00 0.00 0.00 54.91 54.76 1pii h ALA 18 Cb -0.03 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 17.68 1pii h ALA 18 CO -0.11 0.56 -0.12 -0.09 0.00 0.00 0.00 179.25 179.48 1pii h ARG 19 N 0.50 0.11 0.00 0.00 9.65 -0.92 -0.90 114.38 122.82 1pii h ARG 19 Ca 0.01 -0.02 -0.10 0.00 -1.10 0.00 0.00 59.98 58.77 1pii h ARG 19 Cb 1.09 -0.02 -0.01 0.00 -1.39 0.00 0.00 29.97 29.63 1pii h ARG 19 CO 0.11 0.23 -0.48 0.87 2.80 0.00 0.00 179.97 183.50 1pii h LYS 20 N 0.10 0.00 -0.17 0.20 1.57 -1.38 0.83 116.57 117.72 1pii h LYS 20 Ca 0.02 0.00 -0.06 0.00 -1.87 0.00 0.00 60.65 58.74 1pii h LYS 20 Cb 0.28 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.59 1pii h LYS 20 CO 0.02 0.48 -0.13 1.96 -0.57 0.00 0.00 179.45 181.20 1pii h GLN 21 N 0.00 0.39 0.00 3.15 7.50 -1.12 -1.61 115.11 123.43 1pii h GLN 21 Ca -0.00 -0.19 -0.08 0.00 0.50 0.00 0.00 58.65 58.88 1pii h GLN 21 Cb 1.01 -0.00 -0.01 0.00 0.05 0.00 0.00 27.48 28.53 1pii h GLN 21 CO 0.06 0.73 -0.37 0.37 -1.50 0.00 0.00 178.83 178.13 1pii h GLN 22 N 0.05 0.00 -0.57 1.46 4.15 -1.30 -3.39 115.11 115.51 1pii h GLN 22 Ca 0.03 0.00 -0.31 0.00 0.77 0.00 0.00 58.65 59.15 1pii h GLN 22 Cb 0.64 0.00 -0.21 0.00 0.21 0.00 0.00 27.48 28.13 1pii h GLN 22 CO 0.03 0.37 -0.65 0.94 -1.93 0.00 0.00 178.83 177.59 1pii n GLN 23 N -3.37 0.74 -1.59 1.69 7.27 0.27 -5.09 117.38 117.31 1pii n GLN 23 Ca 0.01 -2.13 -0.40 0.00 0.07 0.00 0.00 57.00 54.55 1pii n GLN 23 Cb 0.57 -1.41 0.03 0.00 2.41 0.00 0.00 30.24 31.84 1pii n GLN 23 CO 0.00 0.00 0.00 -0.35 0.07 0.00 0.00 177.06 176.78 1pii n PRO 24 N 1.67 1.10 -0.33 3.69 -0.05 -0.61 -4.56 135.00 135.90 1pii n PRO 24 Ca 0.13 0.40 0.00 0.00 -0.05 0.00 0.00 63.50 63.99 1pii n PRO 24 Cb 0.60 -2.04 0.14 0.00 -0.05 0.00 0.00 33.50 32.15 1pii n PRO 24 CO 0.00 0.00 0.00 1.25 -0.05 0.00 0.00 175.50 176.70 1pii h LEU 25 N 1.03 0.93 -1.65 1.53 5.85 -1.94 -2.04 115.31 119.01 1pii h LEU 25 Ca -0.46 0.01 0.24 0.00 0.84 0.00 0.00 57.88 58.50 1pii h LEU 25 Cb 1.35 -0.19 -0.06 0.00 0.37 0.00 0.00 40.66 42.13 1pii h LEU 25 CO 0.54 0.61 0.64 0.00 -0.34 0.00 0.00 178.44 179.88 1pii h ALA 26 N 1.40 2.44 0.00 1.25 0.00 -1.97 0.67 119.26 123.05 1pii h ALA 26 Ca 0.38 0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.30 1pii h ALA 26 Cb 0.10 0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.91 1pii h ALA 26 CO -0.15 -0.75 0.00 -1.13 0.00 0.00 0.00 179.25 177.22 1pii n SER 27 N -4.44 0.00 0.00 0.00 3.41 -0.77 -4.30 113.62 107.52 1pii n SER 27 Ca 0.20 0.41 0.00 0.00 -0.26 0.00 0.00 58.87 59.23 1pii n SER 27 Cb 0.83 -0.46 0.00 0.00 -0.26 0.00 0.00 64.21 64.32 1pii n SER 27 CO 0.00 0.00 0.00 2.22 -0.16 0.00 0.00 175.04 177.10 1pii n PHE 28 N -1.46 0.00 -0.26 7.33 -1.74 0.04 -4.93 117.46 116.44 1pii n PHE 28 Ca 0.05 0.00 0.01 0.00 -0.56 0.00 0.00 57.45 56.95 1pii n PHE 28 Cb 0.19 0.00 0.08 0.00 1.52 0.00 0.00 39.48 41.27 1pii n PHE 28 CO 0.00 0.00 0.00 0.37 -0.56 0.00 0.00 176.76 176.57 1pii h GLN 29 N 0.00 -0.01 -0.49 3.97 4.15 -1.21 0.16 115.11 121.68 1pii h GLN 29 Ca 0.00 0.00 0.07 0.00 0.77 0.00 0.00 58.65 59.49 1pii h GLN 29 Cb 0.00 0.00 -0.03 0.00 0.21 0.00 0.00 27.48 27.66 1pii h GLN 29 CO 0.00 -0.00 0.33 -0.91 -1.93 0.00 0.00 178.83 176.31 1pii h ASN 30 N -0.01 0.34 -0.17 -0.69 2.35 -1.86 -1.30 115.58 114.25 1pii h ASN 30 Ca 0.35 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.10 1pii h ASN 30 Cb 0.54 -0.07 0.00 0.00 0.05 0.00 0.00 38.32 38.84 1pii h ASN 30 CO -0.77 0.22 0.00 -1.84 -1.65 0.00 0.00 177.43 173.40 1pii n GLU 31 N -4.47 1.77 -2.81 0.81 0.00 0.01 -4.83 120.64 111.13 1pii n GLU 31 Ca 0.07 -1.16 -0.42 0.00 0.00 0.00 0.00 57.16 55.65 1pii n GLU 31 Cb 0.27 -1.41 -0.03 0.00 0.00 0.00 0.00 31.44 30.27 1pii n GLU 31 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.13 177.21 1pii s VAL 32 N -1.79 4.84 0.27 3.84 1.01 -0.49 -5.01 120.40 123.07 1pii s VAL 32 Ca 0.33 1.80 0.10 0.00 0.00 0.00 0.00 61.98 64.21 1pii s VAL 32 Cb 0.18 -4.21 -0.04 0.00 0.00 0.00 0.00 36.38 32.31 1pii s VAL 32 CO 0.27 0.02 -0.03 -1.10 0.00 0.00 0.00 175.10 174.26 1pii s GLN 33 N 2.06 2.20 0.75 2.72 -1.52 -1.26 -5.05 119.66 119.57 1pii s GLN 33 Ca 0.42 -1.47 -0.14 0.00 -1.95 0.00 0.00 55.36 52.22 1pii s GLN 33 Cb -0.17 -2.10 0.05 0.00 -0.22 0.00 0.00 33.01 30.57 1pii s GLN 33 CO 0.15 0.35 1.17 -2.14 -0.25 0.00 0.00 175.29 174.57 1pii s PRO 34 N -3.65 2.09 0.46 2.91 0.02 -1.26 -4.95 135.00 130.62 1pii s PRO 34 Ca 0.31 1.60 -0.24 0.00 0.02 0.00 0.00 61.00 62.70 1pii s PRO 34 Cb -0.06 -1.84 -0.07 0.00 0.02 0.00 0.00 34.50 32.54 1pii s PRO 34 CO 0.19 -1.84 1.28 0.45 -0.33 0.00 0.00 177.00 176.76 1pii s SER 35 N -2.36 5.98 0.00 2.53 0.15 -0.67 -4.93 113.70 114.39 1pii s SER 35 Ca 0.70 2.59 0.18 0.00 0.70 0.00 0.00 55.95 60.12 1pii s SER 35 Cb -0.25 -2.63 0.43 0.00 -1.71 0.00 0.00 66.02 61.86 1pii s SER 35 CO 0.48 -1.07 1.35 0.35 1.20 0.00 0.00 173.24 175.54 1pii n THR 36 N -0.37 0.80 -4.12 6.45 -2.24 -1.26 -4.83 114.28 108.71 1pii n THR 36 Ca 0.07 -0.90 -0.22 0.00 -2.27 0.00 0.00 64.05 60.72 1pii n THR 36 Cb 0.45 0.68 -0.04 0.00 -2.10 0.00 0.00 70.33 69.31 1pii n THR 36 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 1pii s ARG 37 N -1.10 2.91 -0.58 -0.78 0.52 -1.26 -5.09 118.95 113.56 1pii s ARG 37 Ca 0.34 -1.05 0.04 0.00 -0.52 0.00 0.00 55.73 54.54 1pii s ARG 37 Cb 0.19 -2.56 0.14 0.00 0.52 0.00 0.00 34.95 33.24 1pii s ARG 37 CO 0.25 0.41 0.34 -1.01 0.02 0.00 0.00 175.30 175.31 1pii s HIS 38 N -2.11 3.31 0.10 -0.53 3.76 -1.26 -4.93 115.29 113.63 1pii s HIS 38 Ca 0.33 -3.19 -0.33 0.00 -0.15 0.00 0.00 55.06 51.72 1pii s HIS 38 Cb -0.08 -2.83 -0.13 0.00 1.11 0.00 0.00 32.58 30.65 1pii s HIS 38 CO 0.25 -0.70 1.58 0.35 -0.85 0.00 0.00 174.74 175.37 1pii h PHE 39 N 6.24 -1.30 -0.78 1.40 3.57 -1.92 -1.52 116.94 122.63 1pii h PHE 39 Ca -0.01 0.03 0.09 0.00 3.53 0.00 0.00 57.97 61.60 1pii h PHE 39 Cb 0.86 0.54 -0.07 0.00 2.79 0.00 0.00 35.95 40.07 1pii h PHE 39 CO 0.58 -0.57 0.43 1.88 -2.23 0.00 0.00 178.31 178.39 1pii h TYR 40 N -0.76 0.77 -0.54 0.41 0.05 -1.94 -1.89 116.97 113.06 1pii h TYR 40 Ca -0.01 0.03 -0.10 0.00 0.05 0.00 0.00 58.73 58.70 1pii h TYR 40 Cb 0.74 -0.23 -0.02 0.00 1.01 0.00 0.00 36.73 38.24 1pii h TYR 40 CO -0.35 0.31 -0.08 -0.44 -1.05 0.00 0.00 178.16 176.55 1pii h ASP 41 N 0.72 0.98 0.50 3.88 5.19 -1.83 -2.87 116.42 122.98 1pii h ASP 41 Ca 0.38 -0.30 0.00 0.00 -0.62 0.00 0.00 57.03 56.48 1pii h ASP 41 Cb 0.36 -0.26 0.00 0.00 0.18 0.00 0.00 39.33 39.60 1pii h ASP 41 CO -0.25 1.07 0.00 0.00 -3.12 0.00 0.00 179.24 176.94 1pii n ALA 42 N -2.49 1.47 0.63 3.45 0.00 -0.62 -2.67 120.51 120.27 1pii n ALA 42 Ca 0.02 0.12 0.11 0.00 0.00 0.00 0.00 53.44 53.68 1pii n ALA 42 Cb 0.38 -1.36 -0.01 0.00 0.00 0.00 0.00 19.45 18.46 1pii n ALA 42 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1pii n LEU 43 N -2.22 0.62 -4.83 0.00 4.77 -1.09 -4.85 117.00 109.42 1pii n LEU 43 Ca 0.01 -0.11 -0.35 0.00 -0.03 0.00 0.00 56.01 55.52 1pii n LEU 43 Cb 0.17 -0.08 -0.06 0.00 -2.33 0.00 0.00 43.42 41.12 1pii n LEU 43 CO 0.16 0.09 0.37 -1.10 -1.33 0.00 0.00 177.39 175.58 1pii s GLN 44 N -3.17 4.14 0.00 3.23 1.11 -1.09 -4.78 119.66 119.10 1pii s GLN 44 Ca 0.04 0.74 0.00 0.00 0.01 0.00 0.00 55.36 56.15 1pii s GLN 44 Cb 0.15 -2.81 0.00 0.00 -1.01 0.00 0.00 33.01 29.33 1pii s GLN 44 CO 0.82 0.37 0.00 0.41 0.01 0.00 0.00 175.29 176.90 1pii n GLY 45 N 0.55 2.83 0.00 3.09 0.00 -1.26 -4.98 105.19 105.43 1pii n GLY 45 Ca -0.02 -1.08 -0.00 0.00 0.00 0.00 0.00 46.02 44.92 1pii n GLY 45 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1pii h ALA 46 N 0.00 -0.69 -3.10 4.61 0.00 -2.01 -3.45 119.26 114.61 1pii h ALA 46 Ca 0.00 -0.00 -0.56 0.00 0.00 0.00 0.00 54.91 54.35 1pii h ALA 46 Cb 0.00 0.31 0.16 0.00 0.00 0.00 0.00 17.79 18.26 1pii h ALA 46 CO 0.00 -0.70 0.51 0.54 0.00 0.00 0.00 179.25 179.61 1pii n ARG 47 N -2.34 1.13 -1.84 0.00 1.74 -1.26 -4.99 116.66 109.10 1pii n ARG 47 Ca -0.00 0.44 -0.41 0.00 -0.77 0.00 0.00 57.85 57.11 1pii n ARG 47 Cb 0.00 -2.53 -0.02 0.00 -1.02 0.00 0.00 32.46 28.90 1pii n ARG 47 CO 0.00 0.00 0.00 0.99 -1.52 0.00 0.00 177.63 177.10 1pii s THR 48 N -1.38 2.20 0.15 0.55 2.01 -1.21 -4.98 115.64 112.98 1pii s THR 48 Ca 0.83 0.18 0.03 0.00 0.31 0.00 0.00 61.69 63.03 1pii s THR 48 Cb -0.38 -3.11 -0.04 0.00 0.01 0.00 0.00 72.50 68.98 1pii s THR 48 CO 0.40 0.03 0.27 0.00 -0.69 0.00 0.00 174.62 174.63 1pii s ALA 49 N -0.16 3.93 -0.06 7.40 0.00 -0.78 -4.97 121.76 127.12 1pii s ALA 49 Ca 0.61 -1.05 0.03 0.00 0.00 0.00 0.00 51.96 51.55 1pii s ALA 49 Cb -0.46 -1.74 0.00 0.00 0.00 0.00 0.00 23.12 20.93 1pii s ALA 49 CO 0.49 0.53 -0.16 -0.06 0.00 0.00 0.00 175.76 176.56 1pii s PHE 50 N -1.75 1.72 -0.35 0.00 0.08 -1.26 -1.59 117.98 114.82 1pii s PHE 50 Ca 0.34 -0.59 -0.07 0.00 0.12 0.00 0.00 56.93 56.73 1pii s PHE 50 Cb -0.11 -1.19 0.05 0.00 -0.57 0.00 0.00 43.02 41.20 1pii s PHE 50 CO 0.28 -0.25 0.13 0.42 -0.10 0.00 0.00 175.22 175.70 1pii s ILE 51 N 0.36 3.84 -0.07 0.64 1.01 0.59 0.05 121.20 127.62 1pii s ILE 51 Ca -0.11 -1.22 -0.14 0.00 0.00 0.00 0.00 60.65 59.19 1pii s ILE 51 Cb -0.14 -3.22 -0.05 0.00 0.01 0.00 0.00 42.46 39.05 1pii s ILE 51 CO 0.04 -0.26 0.36 -0.76 0.00 0.00 0.00 174.94 174.32 1pii s LEU 52 N 1.39 4.38 -0.10 2.97 1.43 -0.87 -2.23 118.68 125.66 1pii s LEU 52 Ca -0.00 0.78 -0.03 0.00 -1.03 0.00 0.00 54.13 53.84 1pii s LEU 52 Cb -0.20 -2.49 -0.03 0.00 0.03 0.00 0.00 46.19 43.50 1pii s LEU 52 CO 0.02 0.24 0.02 -0.70 0.23 0.00 0.00 176.35 176.16 1pii s GLU 53 N -0.49 3.13 -0.49 1.70 2.12 -0.21 -1.46 118.70 123.00 1pii s GLU 53 Ca 0.21 -0.38 -0.12 0.00 0.36 0.00 0.00 54.97 55.04 1pii s GLU 53 Cb -0.15 -2.87 0.11 0.00 0.26 0.00 0.00 34.13 31.49 1pii s GLU 53 CO 0.10 0.66 0.39 0.00 -0.54 0.00 0.00 175.26 175.87 1pii s LYS 55 N 1.48 0.35 -0.12 0.00 2.20 -1.26 -2.77 119.74 119.62 1pii s LYS 55 Ca 0.04 0.00 -0.11 0.00 -0.36 0.00 0.00 55.97 55.54 1pii s LYS 55 Cb -0.27 -0.46 -0.26 0.00 -1.51 0.00 0.00 37.83 35.33 1pii s LYS 55 CO 0.02 -0.07 0.43 -0.22 -0.36 0.00 0.00 175.35 175.14 1pii h LYS 56 N 6.92 0.25 -4.06 4.03 3.64 -1.83 -3.44 116.57 122.08 1pii h LYS 56 Ca -0.38 -0.43 -0.17 0.00 -1.27 0.00 0.00 60.65 58.40 1pii h LYS 56 Cb 1.15 0.16 -0.11 0.00 -0.41 0.00 0.00 32.23 33.03 1pii h LYS 56 CO 0.49 1.20 -0.29 0.00 -2.27 0.00 0.00 179.45 178.58 1pii s ALA 57 N -2.52 0.45 0.12 5.00 0.00 -0.97 0.84 121.76 124.67 1pii s ALA 57 Ca -0.22 -1.29 -0.06 0.00 0.00 0.00 0.00 51.96 50.39 1pii s ALA 57 Cb 0.06 1.19 -0.02 0.00 0.00 0.00 0.00 23.12 24.35 1pii s ALA 57 CO 0.76 -0.76 0.15 -1.54 0.00 0.00 0.00 175.76 174.37 1pii s SER 58 N -3.12 0.20 0.00 0.00 1.04 -0.71 -4.31 113.70 106.80 1pii s SER 58 Ca 0.29 -0.90 0.24 0.00 0.48 0.00 0.00 55.95 56.06 1pii s SER 58 Cb 0.02 0.34 1.06 0.00 0.10 0.00 0.00 66.02 67.53 1pii s SER 58 CO 0.13 -0.76 1.77 -2.65 0.98 0.00 0.00 173.24 172.71 1pii n PRO 59 N -0.09 0.08 0.00 4.02 -0.02 -1.24 -1.16 135.00 136.59 1pii n PRO 59 Ca -0.10 0.09 0.06 0.00 -2.02 0.00 0.00 63.50 61.53 1pii n PRO 59 Cb 0.63 -1.50 0.05 0.00 -0.02 0.00 0.00 33.50 32.66 1pii n PRO 59 CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35 1pii n SER 60 N -1.45 2.04 0.00 2.55 3.41 -1.26 -4.55 113.62 114.36 1pii n SER 60 Ca 0.07 -1.52 0.00 0.00 -0.26 0.00 0.00 58.87 57.16 1pii n SER 60 Cb 0.26 0.02 0.00 0.00 -0.26 0.00 0.00 64.21 64.23 1pii n SER 60 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 1pii n LYS 61 N 0.68 3.63 0.00 4.33 5.02 -1.19 -5.13 118.16 125.49 1pii n LYS 61 Ca 0.07 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.36 1pii n LYS 61 Cb 0.32 -0.26 0.00 0.00 -0.02 0.00 0.00 35.03 35.07 1pii n LYS 61 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1pii n GLY 62 N 0.52 0.28 3.69 0.72 0.00 -0.31 -4.63 105.19 105.46 1pii n GLY 62 Ca 0.00 -0.87 -0.42 0.00 0.00 0.00 0.00 46.02 44.73 1pii n GLY 62 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1pii s VAL 63 N 0.00 2.77 -0.24 1.61 1.01 -1.26 -1.74 120.40 122.56 1pii s VAL 63 Ca 0.00 0.24 0.07 0.00 0.00 0.00 0.00 61.98 62.29 1pii s VAL 63 Cb 0.00 -3.16 -0.19 0.00 0.00 0.00 0.00 36.38 33.04 1pii s VAL 63 CO 0.00 -0.00 -0.14 -0.38 0.00 0.00 0.00 175.10 174.58 1pii n ILE 64 N 4.76 1.43 -3.72 2.22 5.41 0.25 -4.87 119.36 124.84 1pii n ILE 64 Ca 0.17 -0.64 -0.29 0.00 1.00 0.00 0.00 62.75 62.99 1pii n ILE 64 Cb 0.39 -1.13 -0.15 0.00 -0.71 0.00 0.00 39.64 38.04 1pii n ILE 64 CO 0.00 0.00 0.00 -0.60 0.00 0.00 0.00 176.55 175.95 1pii s ARG 65 N -2.50 0.67 0.10 0.38 3.52 -0.89 -4.42 118.95 115.81 1pii s ARG 65 Ca -0.27 -0.89 -0.22 0.00 -0.13 0.00 0.00 55.73 54.22 1pii s ARG 65 Cb 0.08 -1.93 -0.13 0.00 -1.56 0.00 0.00 34.95 31.40 1pii s ARG 65 CO 0.65 -0.91 1.74 -0.44 -0.81 0.00 0.00 175.30 175.53 1pii h ASP 66 N 8.15 0.05 0.00 -2.12 3.32 -1.89 -3.31 116.42 120.63 1pii h ASP 66 Ca -0.15 -0.01 0.00 0.00 0.02 0.00 0.00 57.03 56.89 1pii h ASP 66 Cb 1.04 -0.01 0.00 0.00 0.22 0.00 0.00 39.33 40.57 1pii h ASP 66 CO 0.44 0.04 0.01 -0.90 -1.72 0.00 0.00 179.24 177.11 1pii n ASP 67 N -5.06 0.00 -4.40 6.45 5.68 -1.26 -4.95 116.55 113.01 1pii n ASP 67 Ca -0.06 -0.53 -0.44 0.00 -0.50 0.00 0.00 54.79 53.25 1pii n ASP 67 Cb 0.03 0.00 -0.05 0.00 -1.14 0.00 0.00 41.12 39.96 1pii n ASP 67 CO 0.00 0.00 0.00 0.12 -1.33 0.00 0.00 177.20 175.99 1pii s PHE 68 N 1.06 3.00 -0.27 2.11 5.36 -1.25 -5.01 117.98 122.97 1pii s PHE 68 Ca 0.00 -0.79 -0.00 0.00 -0.96 0.00 0.00 56.93 55.18 1pii s PHE 68 Cb 0.00 -3.87 0.08 0.00 -0.34 0.00 0.00 43.02 38.90 1pii s PHE 68 CO 0.00 -1.22 0.04 0.34 -1.46 0.00 0.00 175.22 172.92 1pii s ASP 69 N 3.31 3.90 0.29 6.13 2.15 -1.26 -4.99 116.67 126.20 1pii s ASP 69 Ca 0.13 -1.45 0.03 0.00 0.43 0.00 0.00 52.55 51.69 1pii s ASP 69 Cb -0.22 -1.01 0.64 0.00 -0.30 0.00 0.00 42.92 42.03 1pii s ASP 69 CO 0.08 -0.34 1.81 -0.65 -0.17 0.00 0.00 175.17 175.90 1pii h PRO 70 N 8.01 0.87 -0.05 4.34 0.11 -1.97 0.34 132.00 143.65 1pii h PRO 70 Ca -0.14 -0.05 -0.08 0.00 0.11 0.00 0.00 66.00 65.84 1pii h PRO 70 Cb 1.05 -0.20 -0.01 0.00 0.11 0.00 0.00 31.00 31.95 1pii h PRO 70 CO 0.44 0.58 -0.36 0.00 -0.21 0.00 0.00 178.00 178.45 1pii h ALA 71 N 1.59 1.31 0.04 -0.75 0.00 -1.94 0.34 119.26 119.84 1pii h ALA 71 Ca 0.53 -0.35 -0.26 0.00 0.00 0.00 0.00 54.91 54.84 1pii h ALA 71 Cb 0.67 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 18.36 1pii h ALA 71 CO -0.31 0.49 -1.33 0.00 0.00 0.00 0.00 179.25 178.10 1pii h ARG 72 N 0.09 0.08 -0.51 0.00 3.08 -0.95 -2.48 114.38 113.69 1pii h ARG 72 Ca 0.01 -0.13 -0.06 0.00 0.07 0.00 0.00 59.98 59.87 1pii h ARG 72 Cb 0.68 0.05 -0.02 0.00 0.08 0.00 0.00 29.97 30.76 1pii h ARG 72 CO 0.05 0.91 0.09 0.82 -1.07 0.00 0.00 179.97 180.77 1pii h ILE 73 N 0.02 1.25 -0.89 2.04 2.04 -0.03 -2.80 117.51 119.14 1pii h ILE 73 Ca -0.15 -0.92 0.06 0.00 1.00 0.00 0.00 64.86 64.85 1pii h ILE 73 Cb 1.91 0.86 -0.06 0.00 -0.74 0.00 0.00 36.82 38.78 1pii h ILE 73 CO 0.13 0.33 0.56 0.00 0.00 0.00 0.00 178.15 179.17 1pii h ALA 74 N 0.98 1.22 -0.50 1.87 0.00 -0.34 0.25 119.26 122.74 1pii h ALA 74 Ca 0.16 -0.01 0.12 0.00 0.00 0.00 0.00 54.91 55.17 1pii h ALA 74 Cb 0.38 -0.26 -0.03 0.00 0.00 0.00 0.00 17.79 17.89 1pii h ALA 74 CO 0.01 0.33 0.35 0.00 0.00 0.00 0.00 179.25 179.93 1pii h ALA 75 N 1.41 2.26 0.02 0.00 0.00 -1.17 -1.06 119.26 120.72 1pii h ALA 75 Ca 0.38 -0.01 -0.27 0.00 0.00 0.00 0.00 54.91 55.01 1pii h ALA 75 Cb 0.15 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 17.89 1pii h ALA 75 CO -0.17 -0.39 -1.49 -0.89 0.00 0.00 0.00 179.25 176.32 1pii n ILE 76 N -4.44 1.58 -0.09 0.00 5.41 -0.53 -4.19 119.36 117.11 1pii n ILE 76 Ca 0.08 -0.17 0.14 0.00 1.00 0.00 0.00 62.75 63.80 1pii n ILE 76 Cb 0.46 -1.97 0.52 0.00 -0.71 0.00 0.00 39.64 37.94 1pii n ILE 76 CO 0.00 0.00 0.00 1.88 0.00 0.00 0.00 176.55 178.43 1pii h TYR 77 N -0.79 0.39 -0.02 1.39 0.05 -0.83 -0.13 116.97 117.03 1pii h TYR 77 Ca -0.39 0.01 0.00 0.00 0.05 0.00 0.00 58.73 58.41 1pii h TYR 77 Cb 1.46 -0.13 -0.00 0.00 1.01 0.00 0.00 36.73 39.08 1pii h TYR 77 CO 0.08 0.18 0.04 1.57 -1.05 0.00 0.00 178.16 178.98 1pii h LYS 78 N 0.36 0.00 0.00 4.88 2.10 -1.36 0.42 116.57 122.97 1pii h LYS 78 Ca 0.29 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.94 1pii h LYS 78 Cb 0.66 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.99 1pii h LYS 78 CO -0.08 0.00 0.00 0.72 -2.00 0.00 0.00 179.45 178.09 1pii n HIS 79 N -3.37 0.00 0.00 0.07 8.25 -0.06 -4.31 115.22 115.80 1pii n HIS 79 Ca -0.03 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.43 1pii n HIS 79 Cb 0.12 -0.39 0.00 0.00 1.12 0.00 0.00 29.99 30.84 1pii n HIS 79 CO 0.00 0.00 0.00 0.66 0.64 0.00 0.00 176.34 177.64 1pii n TYR 80 N -1.39 0.00 -2.03 4.41 4.01 -0.01 -5.10 117.16 117.05 1pii n TYR 80 Ca 0.10 0.00 -0.32 0.00 -0.16 0.00 0.00 57.90 57.53 1pii n TYR 80 Cb 0.27 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.30 1pii n TYR 80 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1pii s ALA 81 N -0.32 2.96 -0.11 -0.72 0.00 -0.33 -4.82 121.76 118.42 1pii s ALA 81 Ca 0.00 0.11 0.07 0.00 0.00 0.00 0.00 51.96 52.14 1pii s ALA 81 Cb 0.00 -3.13 -0.24 0.00 0.00 0.00 0.00 23.12 19.75 1pii s ALA 81 CO 0.00 -0.64 0.39 0.43 0.00 0.00 0.00 175.76 175.94 1pii n SER 82 N -2.29 1.23 -3.81 0.00 7.64 0.11 -4.95 113.62 111.55 1pii n SER 82 Ca 0.07 0.23 -0.10 0.00 1.01 0.00 0.00 58.87 60.09 1pii n SER 82 Cb 0.54 -0.18 -0.07 0.00 -1.01 0.00 0.00 64.21 63.49 1pii n SER 82 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1pii s ALA 83 N -2.56 -0.41 -0.10 -0.43 0.00 -1.14 -4.40 121.76 112.71 1pii s ALA 83 Ca -0.14 -0.40 0.04 0.00 0.00 0.00 0.00 51.96 51.46 1pii s ALA 83 Cb 0.07 0.46 0.00 0.00 0.00 0.00 0.00 23.12 23.66 1pii s ALA 83 CO 0.79 -0.49 -0.23 0.42 0.00 0.00 0.00 175.76 176.24 1pii s ILE 84 N -3.48 2.04 -0.08 0.00 1.01 -0.40 -2.05 121.20 118.24 1pii s ILE 84 Ca 0.02 -1.00 -0.14 0.00 0.00 0.00 0.00 60.65 59.52 1pii s ILE 84 Cb 0.03 -1.77 -0.05 0.00 0.01 0.00 0.00 42.46 40.68 1pii s ILE 84 CO -0.09 0.55 0.35 -0.55 0.00 0.00 0.00 174.94 175.20 1pii s SER 85 N 0.41 6.63 -0.13 3.58 0.15 -0.54 0.31 113.70 124.11 1pii s SER 85 Ca -0.17 0.74 -0.00 0.00 0.70 0.00 0.00 55.95 57.22 1pii s SER 85 Cb -0.18 -2.21 0.03 0.00 -1.71 0.00 0.00 66.02 61.95 1pii s SER 85 CO 0.07 0.22 -0.09 -0.69 1.20 0.00 0.00 173.24 173.96 1pii s VAL 86 N -0.37 1.18 0.26 4.45 1.01 0.14 -1.20 120.40 125.87 1pii s VAL 86 Ca 0.21 -0.42 -0.29 0.00 0.00 0.00 0.00 61.98 61.48 1pii s VAL 86 Cb -0.15 -1.18 -0.09 0.00 0.00 0.00 0.00 36.38 34.95 1pii s VAL 86 CO 0.09 0.37 1.18 -0.76 0.00 0.00 0.00 175.10 175.98 1pii s LEU 87 N 1.64 4.49 0.00 3.92 2.01 -1.11 -1.08 118.68 128.55 1pii s LEU 87 Ca 0.05 2.36 0.00 0.00 0.01 0.00 0.00 54.13 56.55 1pii s LEU 87 Cb -0.13 -3.63 0.00 0.00 0.01 0.00 0.00 46.19 42.45 1pii s LEU 87 CO -0.09 -0.31 0.48 0.35 1.01 0.00 0.00 176.35 177.79 1pii n THR 88 N 1.53 0.03 -2.36 5.49 -2.24 -0.59 -3.16 114.28 112.98 1pii n THR 88 Ca 0.01 -0.48 -0.41 0.00 -2.27 0.00 0.00 64.05 60.89 1pii n THR 88 Cb 0.44 1.05 -0.03 0.00 -2.10 0.00 0.00 70.33 69.68 1pii n THR 88 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1pii s ASP 89 N -0.03 7.07 -0.19 3.42 2.15 -1.26 -4.08 116.67 123.74 1pii s ASP 89 Ca 0.00 2.22 -0.19 0.00 0.43 0.00 0.00 52.55 55.01 1pii s ASP 89 Cb 0.00 -2.60 -0.16 0.00 -0.30 0.00 0.00 42.92 39.85 1pii s ASP 89 CO 0.00 -0.40 0.17 -0.33 -0.17 0.00 0.00 175.17 174.44 1pii h GLU 90 N 5.48 0.00 -0.26 4.34 5.08 -1.92 1.27 114.58 128.56 1pii h GLU 90 Ca -0.44 0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 57.89 1pii h GLU 90 Cb 1.21 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.45 1pii h GLU 90 CO 0.76 0.81 0.06 -0.22 -1.00 0.00 0.00 179.01 179.41 1pii h LYS 91 N -1.00 0.42 0.00 2.33 3.64 -1.92 0.32 116.57 120.36 1pii h LYS 91 Ca -0.27 -0.11 0.00 0.00 -1.27 0.00 0.00 60.65 59.01 1pii h LYS 91 Cb 1.13 -0.05 0.00 0.00 -0.41 0.00 0.00 32.23 32.90 1pii h LYS 91 CO -0.16 0.53 -1.52 0.66 -2.27 0.00 0.00 179.45 176.68 1pii n TYR 92 N -4.70 0.33 -0.14 1.91 4.01 -1.26 -4.46 117.16 112.85 1pii n TYR 92 Ca -0.03 0.10 0.00 0.00 -0.16 0.00 0.00 57.90 57.81 1pii n TYR 92 Cb 0.19 -0.61 0.00 0.00 -0.31 0.00 0.00 39.34 38.61 1pii n TYR 92 CO 0.00 0.00 0.00 1.19 -0.46 0.00 0.00 176.86 177.59 1pii n PHE 93 N -2.32 0.00 -3.42 -0.72 3.01 -1.24 -3.64 117.46 109.13 1pii n PHE 93 Ca -0.02 0.00 -0.25 0.00 1.01 0.00 0.00 57.45 58.19 1pii n PHE 93 Cb 0.54 0.00 0.02 0.00 -0.01 0.00 0.00 39.48 40.03 1pii n PHE 93 CO 0.00 0.00 0.00 1.04 1.01 0.00 0.00 176.76 178.81 1pii n GLN 94 N -0.12 -4.82 -1.81 -1.08 6.02 0.11 -2.29 117.38 113.39 1pii n GLN 94 Ca 0.00 0.67 -0.08 0.00 -0.01 0.00 0.00 57.00 57.59 1pii n GLN 94 Cb 0.03 -5.51 0.03 0.00 1.02 0.00 0.00 30.24 25.81 1pii n GLN 94 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1pii n GLY 95 N -1.49 1.96 3.42 1.08 0.00 0.43 -4.65 105.19 105.93 1pii n GLY 95 Ca -0.03 -2.17 -0.13 0.00 0.00 0.00 0.00 46.02 43.69 1pii n GLY 95 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1pii s SER 96 N -2.46 -0.54 0.55 1.61 0.15 -1.19 -3.78 113.70 108.04 1pii s SER 96 Ca 0.24 1.04 0.25 0.00 0.70 0.00 0.00 55.95 58.18 1pii s SER 96 Cb -0.02 1.06 1.45 0.00 -1.71 0.00 0.00 66.02 66.79 1pii s SER 96 CO 0.16 -0.18 2.04 -0.26 1.20 0.00 0.00 173.24 176.20 1pii h PHE 97 N 5.31 0.00 0.00 3.44 0.04 -1.87 0.21 116.94 124.07 1pii h PHE 97 Ca -0.28 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.49 1pii h PHE 97 Cb 1.17 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.32 1pii h PHE 97 CO 0.40 0.00 0.00 0.09 -0.60 0.00 0.00 178.31 178.20 1pii n ASN 98 N -4.22 0.41 0.18 2.17 3.02 -1.26 -1.97 115.26 113.59 1pii n ASN 98 Ca 0.05 0.63 0.06 0.00 -0.03 0.00 0.00 54.58 55.29 1pii n ASN 98 Cb 0.45 -0.71 0.18 0.00 -0.61 0.00 0.00 39.78 39.09 1pii n ASN 98 CO 0.00 0.00 0.00 -0.26 -2.62 0.00 0.00 177.26 174.38 1pii h PHE 99 N 0.00 0.00 -0.27 3.10 0.04 -0.96 -3.34 116.94 115.51 1pii h PHE 99 Ca 0.00 0.00 0.06 0.00 2.80 0.00 0.00 57.97 60.83 1pii h PHE 99 Cb 0.23 0.00 -0.06 0.00 2.20 0.00 0.00 35.95 38.31 1pii h PHE 99 CO 0.00 0.33 -0.14 -0.07 -0.60 0.00 0.00 178.31 177.83 1pii h LEU 100 N 0.00 -0.48 -1.18 1.54 3.38 -1.53 -0.78 115.31 116.26 1pii h LEU 100 Ca -0.00 0.11 -0.05 0.00 0.09 0.00 0.00 57.88 58.02 1pii h LEU 100 Cb 1.13 0.26 -0.02 0.00 0.09 0.00 0.00 40.66 42.13 1pii h LEU 100 CO 0.04 -0.18 -0.02 -0.65 0.09 0.00 0.00 178.44 177.73 1pii h PRO 101 N -0.11 0.55 0.15 1.13 0.11 -1.66 0.14 132.00 132.30 1pii h PRO 101 Ca 0.14 -0.12 -0.01 0.00 0.11 0.00 0.00 66.00 66.12 1pii h PRO 101 Cb 0.33 -0.08 0.00 0.00 0.11 0.00 0.00 31.00 31.37 1pii h PRO 101 CO -0.34 0.58 -0.07 0.82 -0.21 0.00 0.00 178.00 178.78 1pii h ILE 102 N 0.52 0.89 -0.79 4.15 2.04 -1.57 0.48 117.51 123.23 1pii h ILE 102 Ca 0.11 -0.12 -0.03 0.00 1.00 0.00 0.00 64.86 65.82 1pii h ILE 102 Cb 0.36 0.96 -0.04 0.00 -0.74 0.00 0.00 36.82 37.36 1pii h ILE 102 CO 0.01 0.03 0.36 0.58 0.00 0.00 0.00 178.15 179.13 1pii h VAL 103 N -0.25 1.25 -0.86 1.67 2.07 -0.78 -2.84 116.25 116.53 1pii h VAL 103 Ca -0.02 -0.74 -0.01 0.00 0.82 0.00 0.00 66.70 66.75 1pii h VAL 103 Cb 0.20 0.27 -0.04 0.00 -1.52 0.00 0.00 31.29 30.20 1pii h VAL 103 CO 0.03 0.31 0.49 -1.28 0.02 0.00 0.00 177.57 177.14 1pii h SER 104 N 1.12 1.04 0.71 0.57 0.87 -0.49 0.11 113.55 117.49 1pii h SER 104 Ca 0.27 -0.07 -0.04 0.00 -1.23 0.00 0.00 61.79 60.71 1pii h SER 104 Cb 0.15 -0.26 -0.01 0.00 -0.44 0.00 0.00 62.40 61.84 1pii h SER 104 CO -0.03 0.82 -0.20 0.06 -0.53 0.00 0.00 176.83 176.95 1pii h GLN 105 N 1.19 0.00 0.04 2.24 3.07 -0.67 -3.29 115.11 117.68 1pii h GLN 105 Ca 0.30 0.00 -0.37 0.00 0.09 0.00 0.00 58.65 58.67 1pii h GLN 105 Cb -0.01 0.00 -0.05 0.00 0.08 0.00 0.00 27.48 27.49 1pii h GLN 105 CO -0.05 0.20 -2.27 -0.89 0.09 0.00 0.00 178.83 175.91 1pii n ILE 106 N -3.48 1.59 -4.30 1.86 5.41 -0.81 -4.93 119.36 114.71 1pii n ILE 106 Ca -0.01 -0.64 -0.34 0.00 1.00 0.00 0.00 62.75 62.77 1pii n ILE 106 Cb 0.36 -1.43 -0.09 0.00 -0.71 0.00 0.00 39.64 37.77 1pii n ILE 106 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1pii s ALA 107 N -2.54 3.34 -1.23 -1.39 0.00 0.30 -4.90 121.76 115.34 1pii s ALA 107 Ca -0.27 -0.86 0.26 0.00 0.00 0.00 0.00 51.96 51.09 1pii s ALA 107 Cb 0.08 -1.46 0.74 0.00 0.00 0.00 0.00 23.12 22.48 1pii s ALA 107 CO 0.69 0.62 1.56 -0.35 0.00 0.00 0.00 175.76 178.29 1pii n PRO 108 N 1.75 0.26 -1.14 0.00 -0.04 -1.26 -4.58 135.00 129.99 1pii n PRO 108 Ca -0.16 -0.13 -0.29 0.00 -0.04 0.00 0.00 63.50 62.88 1pii n PRO 108 Cb 0.53 -1.50 0.20 0.00 -0.04 0.00 0.00 33.50 32.69 1pii n PRO 108 CO 0.00 0.00 0.00 -0.65 -0.04 0.00 0.00 175.50 174.81 1pii s GLN 109 N -2.83 -0.05 0.40 0.54 1.11 -1.26 -4.97 119.66 112.59 1pii s GLN 109 Ca 0.16 0.36 -0.26 0.00 0.01 0.00 0.00 55.36 55.63 1pii s GLN 109 Cb 0.18 -1.69 -0.09 0.00 -1.01 0.00 0.00 33.01 30.40 1pii s GLN 109 CO 0.61 -3.02 1.24 -2.14 0.01 0.00 0.00 175.29 171.99 1pii s PRO 110 N -5.06 4.04 -0.20 2.91 0.02 -1.26 -4.77 135.00 130.68 1pii s PRO 110 Ca 0.67 2.00 -0.05 0.00 0.02 0.00 0.00 61.00 63.65 1pii s PRO 110 Cb -0.17 -2.75 -0.02 0.00 0.02 0.00 0.00 34.50 31.58 1pii s PRO 110 CO 0.57 -0.38 -0.01 0.42 -0.33 0.00 0.00 177.00 177.27 1pii s ILE 111 N -1.32 3.83 -0.23 2.83 -1.09 -1.26 -1.28 121.20 122.68 1pii s ILE 111 Ca 0.56 -0.35 -0.11 0.00 -2.23 0.00 0.00 60.65 58.52 1pii s ILE 111 Cb -0.35 -2.73 -0.05 0.00 -1.58 0.00 0.00 42.46 37.76 1pii s ILE 111 CO 0.44 0.43 0.18 -0.22 -1.23 0.00 0.00 174.94 174.54 1pii s LEU 112 N 1.04 4.14 -0.28 2.97 2.96 0.15 0.16 118.68 129.82 1pii s LEU 112 Ca 0.02 0.18 -0.27 0.00 -0.22 0.00 0.00 54.13 53.83 1pii s LEU 112 Cb -0.14 -2.14 0.01 0.00 0.50 0.00 0.00 46.19 44.41 1pii s LEU 112 CO 0.01 0.08 0.97 0.00 -1.32 0.00 0.00 176.35 176.09 1pii s LYS 114 N 3.27 3.60 0.13 0.00 2.47 -0.24 -2.72 119.74 126.27 1pii s LYS 114 Ca 0.41 -0.54 -0.17 0.00 -1.56 0.00 0.00 55.97 54.11 1pii s LYS 114 Cb -0.14 -3.56 0.06 0.00 -1.46 0.00 0.00 37.83 32.74 1pii s LYS 114 CO 0.11 -0.30 0.82 -3.47 0.16 0.00 0.00 175.35 172.68 1pii n ASP 115 N 5.00 -1.34 -4.29 1.43 -0.08 -1.26 -1.54 116.55 114.48 1pii n ASP 115 Ca -0.14 -1.68 -0.45 0.00 -1.51 0.00 0.00 54.79 51.00 1pii n ASP 115 Cb 0.51 2.17 -0.03 0.00 2.34 0.00 0.00 41.12 46.11 1pii n ASP 115 CO 0.00 0.00 0.00 -0.36 0.12 0.00 0.00 177.20 176.96 1pii s PHE 116 N -2.90 3.73 -0.37 -0.67 0.40 -1.26 -4.80 117.98 112.11 1pii s PHE 116 Ca 0.18 -2.16 -0.27 0.00 -0.60 0.00 0.00 56.93 54.08 1pii s PHE 116 Cb -0.02 -3.71 0.02 0.00 0.51 0.00 0.00 43.02 39.82 1pii s PHE 116 CO 0.04 -0.96 1.00 0.42 0.70 0.00 0.00 175.22 176.42 1pii s ILE 117 N 0.03 4.51 0.00 0.64 1.01 -1.26 -4.86 121.20 121.27 1pii s ILE 117 Ca 0.19 1.37 0.00 0.00 0.00 0.00 0.00 60.65 62.21 1pii s ILE 117 Cb -0.12 -4.40 0.00 0.00 0.01 0.00 0.00 42.46 37.96 1pii s ILE 117 CO -0.08 -0.58 0.45 2.30 0.00 0.00 0.00 174.94 177.03 1pii n ILE 118 N 6.06 0.15 -3.70 2.92 -5.35 -1.26 -4.78 119.36 113.40 1pii n ILE 118 Ca 0.09 -0.41 -0.12 0.00 -0.27 0.00 0.00 62.75 62.04 1pii n ILE 118 Cb 0.48 1.18 -0.10 0.00 -1.74 0.00 0.00 39.64 39.46 1pii n ILE 118 CO 0.00 0.00 0.00 -0.62 -1.76 0.00 0.00 176.55 174.17 1pii s ASP 119 N -0.15 -0.54 0.55 7.28 -1.08 -1.26 -5.02 116.67 116.44 1pii s ASP 119 Ca 0.00 0.99 0.25 0.00 -0.52 0.00 0.00 52.55 53.28 1pii s ASP 119 Cb 0.00 0.95 1.44 0.00 -1.46 0.00 0.00 42.92 43.85 1pii s ASP 119 CO 0.00 -0.18 2.02 1.55 0.52 0.00 0.00 175.17 179.08 1pii h PRO 120 N 6.08 0.00 -0.98 4.34 0.13 -1.97 -0.60 132.00 139.01 1pii h PRO 120 Ca -0.31 0.00 0.19 0.00 -0.87 0.00 0.00 66.00 65.02 1pii h PRO 120 Cb 1.18 0.00 -0.09 0.00 0.13 0.00 0.00 31.00 32.22 1pii h PRO 120 CO 0.23 0.00 0.61 -0.92 -0.23 0.00 0.00 178.00 177.69 1pii h TYR 121 N 0.00 0.90 -0.41 1.56 3.20 -2.01 -0.60 116.97 119.61 1pii h TYR 121 Ca 0.20 0.03 -0.01 0.00 3.14 0.00 0.00 58.73 62.08 1pii h TYR 121 Cb 0.84 -0.27 -0.02 0.00 1.54 0.00 0.00 36.73 38.82 1pii h TYR 121 CO 0.00 0.22 0.21 1.96 -1.64 0.00 0.00 178.16 178.91 1pii h GLN 122 N 0.66 0.56 -0.03 1.82 4.20 -1.52 -0.57 115.11 120.23 1pii h GLN 122 Ca 0.54 -0.06 -0.01 0.00 0.06 0.00 0.00 58.65 59.18 1pii h GLN 122 Cb 0.98 -0.12 -0.00 0.00 0.30 0.00 0.00 27.48 28.64 1pii h GLN 122 CO -0.30 0.43 -0.02 0.82 -0.67 0.00 0.00 178.83 179.08 1pii h ILE 123 N 0.57 1.38 -0.66 2.54 2.04 -1.21 -0.27 117.51 121.90 1pii h ILE 123 Ca 0.15 -1.17 0.02 0.00 1.00 0.00 0.00 64.86 64.86 1pii h ILE 123 Cb 0.04 2.11 -0.04 0.00 -0.74 0.00 0.00 36.82 38.19 1pii h ILE 123 CO -0.02 0.31 0.42 1.88 0.00 0.00 0.00 178.15 180.74 1pii h TYR 124 N -0.40 0.79 -0.89 1.37 0.05 -1.25 -1.35 116.97 115.28 1pii h TYR 124 Ca 0.00 0.02 0.02 0.00 0.05 0.00 0.00 58.73 58.82 1pii h TYR 124 Cb 0.52 -0.26 -0.05 0.00 1.01 0.00 0.00 36.73 37.95 1pii h TYR 124 CO 0.09 0.46 0.58 1.25 -1.05 0.00 0.00 178.16 179.50 1pii h LEU 125 N 0.83 1.00 -0.49 3.88 5.85 -1.08 0.14 115.31 125.44 1pii h LEU 125 Ca 0.26 -0.02 0.00 0.00 0.84 0.00 0.00 57.88 58.96 1pii h LEU 125 Cb -0.01 -0.24 -0.02 0.00 0.37 0.00 0.00 40.66 40.76 1pii h LEU 125 CO -0.09 0.72 0.32 0.00 -0.34 0.00 0.00 178.44 179.04 1pii h ALA 126 N 1.34 0.62 -0.65 1.25 0.00 -0.14 -0.52 119.26 121.15 1pii h ALA 126 Ca 0.33 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 55.19 1pii h ALA 126 Cb -0.10 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 17.46 1pii h ALA 126 CO -0.08 0.07 0.35 -0.09 0.00 0.00 0.00 179.25 179.50 1pii h ARG 127 N 0.66 0.91 -0.98 0.00 1.12 -0.79 0.21 114.38 115.53 1pii h ARG 127 Ca 0.18 -0.11 0.14 0.00 -1.11 0.00 0.00 59.98 59.08 1pii h ARG 127 Cb -0.07 -0.18 -0.08 0.00 -0.01 0.00 0.00 29.97 29.63 1pii h ARG 127 CO -0.04 0.70 0.62 -0.92 -3.11 0.00 0.00 179.97 177.21 1pii h TYR 128 N 0.89 1.05 -0.31 2.20 3.20 -0.30 0.23 116.97 123.93 1pii h TYR 128 Ca 0.23 0.03 0.00 0.00 3.14 0.00 0.00 58.73 62.13 1pii h TYR 128 Cb 0.05 -0.33 0.00 0.00 1.54 0.00 0.00 36.73 37.99 1pii h TYR 128 CO -0.01 0.38 0.00 0.66 -1.64 0.00 0.00 178.16 177.56 1pii n TYR 129 N -4.62 0.76 -0.68 -3.82 4.01 -0.24 -4.90 117.16 107.67 1pii n TYR 129 Ca 0.19 -0.30 0.00 0.00 -0.16 0.00 0.00 57.90 57.63 1pii n TYR 129 Cb 0.42 -0.16 0.00 0.00 -0.31 0.00 0.00 39.34 39.28 1pii n TYR 129 CO 0.00 0.00 0.00 1.04 -0.46 0.00 0.00 176.86 177.44 1pii n GLN 130 N 0.41 0.00 -2.09 -0.72 1.13 0.07 -3.11 117.38 113.07 1pii n GLN 130 Ca 0.13 0.00 -0.36 0.00 -1.94 0.00 0.00 57.00 54.82 1pii n GLN 130 Cb 0.52 -1.90 0.02 0.00 0.11 0.00 0.00 30.24 28.99 1pii n GLN 130 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1pii s ALA 131 N -2.51 2.72 -1.51 -1.58 0.00 0.64 -4.83 121.76 114.68 1pii s ALA 131 Ca 0.00 1.01 0.13 0.00 0.00 0.00 0.00 51.96 53.09 1pii s ALA 131 Cb 0.00 -3.43 0.08 0.00 0.00 0.00 0.00 23.12 19.76 1pii s ALA 131 CO 0.00 -0.99 0.87 -0.25 0.00 0.00 0.00 175.76 175.38 1pii n ASP 132 N -1.17 1.91 -3.48 0.00 8.00 0.12 -4.49 116.55 117.44 1pii n ASP 132 Ca 0.11 -1.46 -0.11 0.00 0.71 0.00 0.00 54.79 54.05 1pii n ASP 132 Cb 0.49 0.12 -0.03 0.00 -0.02 0.00 0.00 41.12 41.68 1pii n ASP 132 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1pii s ALA 133 N -1.21 -1.75 0.07 2.24 0.00 -1.09 -1.36 121.76 118.66 1pii s ALA 133 Ca 0.14 0.91 0.01 0.00 0.00 0.00 0.00 51.96 53.02 1pii s ALA 133 Cb 0.11 0.44 -0.04 0.00 0.00 0.00 0.00 23.12 23.63 1pii s ALA 133 CO 0.20 -0.65 -0.06 0.00 0.00 0.00 0.00 175.76 175.25 1pii s LEU 135 N -2.60 4.38 -0.05 0.00 2.96 -1.10 -1.48 118.68 120.78 1pii s LEU 135 Ca 0.04 0.73 0.04 0.00 -0.22 0.00 0.00 54.13 54.72 1pii s LEU 135 Cb 0.02 -2.42 -0.00 0.00 0.50 0.00 0.00 46.19 44.28 1pii s LEU 135 CO -0.05 0.26 -0.19 -0.76 -1.32 0.00 0.00 176.35 174.30 1pii s LEU 136 N -0.55 1.94 -0.15 -0.68 1.43 0.06 -4.44 118.68 116.30 1pii s LEU 136 Ca 0.20 -0.40 -0.01 0.00 -1.03 0.00 0.00 54.13 52.89 1pii s LEU 136 Cb -0.15 -1.08 -0.01 0.00 0.03 0.00 0.00 46.19 44.98 1pii s LEU 136 CO 0.09 0.16 -0.11 -0.04 0.23 0.00 0.00 176.35 176.67 1pii s MET 137 N 0.10 3.38 0.27 1.70 -1.94 -1.26 -1.55 119.30 120.00 1pii s MET 137 Ca -0.07 -0.67 0.25 0.00 -1.71 0.00 0.00 55.69 53.49 1pii s MET 137 Cb -0.13 -2.72 0.94 0.00 2.01 0.00 0.00 34.83 34.94 1pii s MET 137 CO 0.03 0.11 1.75 -0.07 -0.01 0.00 0.00 175.02 176.84 1pii h LEU 138 N 7.04 0.00 -0.41 -0.03 3.38 -1.60 -0.93 115.31 122.75 1pii h LEU 138 Ca -0.30 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.67 1pii h LEU 138 Cb 1.20 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.95 1pii h LEU 138 CO 0.57 0.00 0.00 0.77 0.09 0.00 0.00 178.44 179.87 1pii h SER 139 N 0.00 0.00 0.00 -0.43 4.64 -1.94 -3.33 113.55 112.49 1pii h SER 139 Ca 0.00 0.00 -0.21 0.00 -0.47 0.00 0.00 61.79 61.11 1pii h SER 139 Cb 0.50 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 62.56 1pii h SER 139 CO 0.00 0.00 -1.78 0.52 -0.87 0.00 0.00 176.83 174.70 1pii n VAL 140 N -2.39 0.78 -4.17 0.95 0.31 -0.56 -5.02 118.33 108.22 1pii n VAL 140 Ca 0.04 -0.44 -0.35 0.00 -0.01 0.00 0.00 64.34 63.58 1pii n VAL 140 Cb 0.35 -0.77 -0.08 0.00 -0.91 0.00 0.00 33.84 32.43 1pii n VAL 140 CO 0.00 0.00 0.00 -0.76 -1.32 0.00 0.00 176.83 174.75 1pii s LEU 141 N -5.05 3.88 0.79 7.52 1.43 -0.46 -5.08 118.68 121.71 1pii s LEU 141 Ca -0.09 0.24 -0.10 0.00 -1.03 0.00 0.00 54.13 53.15 1pii s LEU 141 Cb 0.04 -2.00 0.09 0.00 0.03 0.00 0.00 46.19 44.35 1pii s LEU 141 CO 0.43 0.36 1.13 1.51 0.23 0.00 0.00 176.35 180.01 1pii s ASP 142 N -1.14 4.43 0.26 2.29 1.47 -1.26 -4.69 116.67 118.03 1pii s ASP 142 Ca 0.16 0.56 -0.05 0.00 1.18 0.00 0.00 52.55 54.40 1pii s ASP 142 Cb -0.12 -1.05 0.31 0.00 -0.34 0.00 0.00 42.92 41.73 1pii s ASP 142 CO 0.06 -1.90 1.91 0.44 0.68 0.00 0.00 175.17 176.35 1pii h ASP 143 N -0.95 1.11 0.22 2.11 3.32 -1.99 -1.97 116.42 118.26 1pii h ASP 143 Ca -0.45 -0.01 -0.13 0.00 0.02 0.00 0.00 57.03 56.46 1pii h ASP 143 Cb 1.31 -0.26 -0.01 0.00 0.22 0.00 0.00 39.33 40.59 1pii h ASP 143 CO 0.60 0.76 -0.50 0.44 -1.72 0.00 0.00 179.24 178.82 1pii h ASP 144 N 1.29 0.34 0.57 6.45 3.32 -2.01 -2.43 116.42 123.95 1pii h ASP 144 Ca 0.39 -0.17 -0.12 0.00 0.02 0.00 0.00 57.03 57.15 1pii h ASP 144 Cb -0.03 -0.10 -0.02 0.00 0.22 0.00 0.00 39.33 39.41 1pii h ASP 144 CO -0.12 0.78 -0.58 1.56 -1.72 0.00 0.00 179.24 179.17 1pii h GLN 145 N 0.25 0.02 -0.39 3.56 4.20 -1.86 -2.99 115.11 117.90 1pii h GLN 145 Ca 0.01 -0.01 -0.08 0.00 0.06 0.00 0.00 58.65 58.63 1pii h GLN 145 Cb 0.97 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.73 1pii h GLN 145 CO 0.08 0.59 -0.06 -0.92 -0.67 0.00 0.00 178.83 177.85 1pii h TYR 146 N 0.01 0.81 -0.61 2.96 5.03 -1.23 -0.05 116.97 123.89 1pii h TYR 146 Ca -0.01 -0.16 0.00 0.00 2.58 0.00 0.00 58.73 61.15 1pii h TYR 146 Cb 1.03 -0.20 -0.03 0.00 1.55 0.00 0.00 36.73 39.08 1pii h TYR 146 CO 0.00 0.84 0.40 0.00 -1.32 0.00 0.00 178.16 178.08 1pii h ARG 147 N 0.54 0.80 -0.17 1.82 3.08 -1.36 0.35 114.38 119.44 1pii h ARG 147 Ca 0.10 -0.05 -0.02 0.00 0.07 0.00 0.00 59.98 60.08 1pii h ARG 147 Cb 0.56 -0.18 -0.01 0.00 0.08 0.00 0.00 29.97 30.43 1pii h ARG 147 CO 0.03 0.54 0.04 0.37 -1.07 0.00 0.00 179.97 179.88 1pii h GLN 148 N 0.82 0.27 -0.41 0.04 -0.00 -1.48 0.49 115.11 114.85 1pii h GLN 148 Ca 0.22 -0.06 -0.14 0.00 -0.00 0.00 0.00 58.65 58.67 1pii h GLN 148 Cb -0.08 -0.04 -0.01 0.00 0.00 0.00 0.00 27.48 27.36 1pii h GLN 148 CO -0.05 0.41 -0.28 -0.07 0.00 0.00 0.00 178.83 178.84 1pii h LEU 149 N 0.08 0.96 -0.93 -2.39 3.38 -0.79 0.58 115.31 116.19 1pii h LEU 149 Ca 0.05 -0.43 -0.10 0.00 0.09 0.00 0.00 57.88 57.49 1pii h LEU 149 Cb 0.26 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.73 1pii h LEU 149 CO 0.00 1.19 -0.29 0.00 0.09 0.00 0.00 178.44 179.43 1pii h ALA 150 N 0.80 1.09 -0.62 1.53 0.00 -0.10 -0.83 119.26 121.13 1pii h ALA 150 Ca 0.08 -0.36 -0.05 0.00 0.00 0.00 0.00 54.91 54.58 1pii h ALA 150 Cb 0.87 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 18.52 1pii h ALA 150 CO 0.08 0.57 0.18 0.00 0.00 0.00 0.00 179.25 180.08 1pii h ALA 151 N 1.31 0.81 -0.70 0.00 0.00 0.31 -2.04 119.26 118.96 1pii h ALA 151 Ca 0.05 -0.21 0.05 0.00 0.00 0.00 0.00 54.91 54.80 1pii h ALA 151 Cb 0.71 -0.24 -0.05 0.00 0.00 0.00 0.00 17.79 18.21 1pii h ALA 151 CO 0.05 0.49 0.40 0.28 0.00 0.00 0.00 179.25 180.48 1pii h VAL 152 N 0.89 1.00 0.01 0.00 2.07 -0.13 0.03 116.25 120.12 1pii h VAL 152 Ca 0.20 -0.26 -0.00 0.00 0.82 0.00 0.00 66.70 67.46 1pii h VAL 152 Cb 0.31 0.18 0.00 0.00 -1.52 0.00 0.00 31.29 30.26 1pii h VAL 152 CO -0.00 0.14 -0.01 0.00 0.02 0.00 0.00 177.57 177.72 1pii h ALA 153 N 1.34 -0.01 -0.74 1.67 0.00 -0.76 -2.72 119.26 118.03 1pii h ALA 153 Ca 0.30 -0.03 0.04 0.00 0.00 0.00 0.00 54.91 55.22 1pii h ALA 153 Cb 0.15 0.01 -0.04 0.00 0.00 0.00 0.00 17.79 17.90 1pii h ALA 153 CO -0.16 -0.48 0.49 0.45 0.00 0.00 0.00 179.25 179.54 1pii h HIS 154 N -0.07 0.86 0.00 0.00 3.86 -1.17 0.25 115.15 118.88 1pii h HIS 154 Ca -0.00 0.02 0.00 0.00 -1.16 0.00 0.00 60.37 59.23 1pii h HIS 154 Cb 0.07 -0.29 0.00 0.00 1.06 0.00 0.00 27.41 28.25 1pii h HIS 154 CO -0.06 0.50 0.00 0.66 0.86 0.00 0.00 177.93 179.89 1pii h SER 155 N 0.89 0.00 -0.45 2.45 4.64 -0.68 0.17 113.55 120.58 1pii h SER 155 Ca 0.30 0.00 -0.10 0.00 -0.47 0.00 0.00 61.79 61.52 1pii h SER 155 Cb 0.07 0.00 -0.06 0.00 -0.31 0.00 0.00 62.40 62.10 1pii h SER 155 CO -0.09 0.00 0.07 0.18 -0.87 0.00 0.00 176.83 176.12 1pii n LEU 156 N -3.07 4.76 -2.47 5.97 4.77 -0.12 -4.89 117.00 121.96 1pii n LEU 156 Ca -0.02 -3.21 -0.12 0.00 -0.03 0.00 0.00 56.01 52.63 1pii n LEU 156 Cb 0.16 -0.63 -0.01 0.00 -2.33 0.00 0.00 43.42 40.61 1pii n LEU 156 CO 0.22 0.81 -0.15 -0.62 -1.33 0.00 0.00 177.39 176.32 1pii n GLU 157 N -0.42 -2.28 -3.71 3.23 -0.58 0.60 -1.68 120.64 115.81 1pii n GLU 157 Ca 0.30 0.59 -0.32 0.00 -0.42 0.00 0.00 57.16 57.30 1pii n GLU 157 Cb 1.10 -5.19 -0.05 0.00 -0.57 0.00 0.00 31.44 26.73 1pii n GLU 157 CO 0.00 0.00 0.00 -1.64 -0.48 0.00 0.00 177.13 175.01 1pii s MET 158 N -5.05 3.60 0.63 3.49 -1.94 0.70 -4.45 119.30 116.27 1pii s MET 158 Ca 0.01 -0.10 -0.06 0.00 -1.71 0.00 0.00 55.69 53.83 1pii s MET 158 Cb -0.01 -2.94 0.03 0.00 2.01 0.00 0.00 34.83 33.93 1pii s MET 158 CO 0.01 0.53 0.93 0.20 -0.01 0.00 0.00 175.02 176.69 1pii s GLY 159 N -2.22 1.65 -0.03 -0.03 0.00 -0.46 -3.78 107.32 102.45 1pii s GLY 159 Ca 0.37 -0.83 0.05 0.00 0.00 0.00 0.00 44.72 44.31 1pii s GLY 159 CO 0.23 -0.50 -0.17 0.14 0.00 0.00 0.00 173.10 172.80 1pii s VAL 160 N -3.07 1.36 -0.34 1.40 1.01 -1.26 -1.82 120.40 117.68 1pii s VAL 160 Ca 0.56 -0.70 -0.08 0.00 0.00 0.00 0.00 61.98 61.77 1pii s VAL 160 Cb -0.11 -1.16 0.03 0.00 0.00 0.00 0.00 36.38 35.14 1pii s VAL 160 CO 0.44 0.39 0.13 -0.22 0.00 0.00 0.00 175.10 175.85 1pii s LEU 161 N -0.10 4.32 -0.37 3.92 2.96 -0.55 -4.23 118.68 124.62 1pii s LEU 161 Ca -0.00 -0.97 -0.19 0.00 -0.22 0.00 0.00 54.13 52.76 1pii s LEU 161 Cb -0.10 -1.92 0.00 0.00 0.50 0.00 0.00 46.19 44.67 1pii s LEU 161 CO 0.01 -0.31 0.53 -0.89 -1.32 0.00 0.00 176.35 174.37 1pii s THR 162 N 1.48 4.99 -0.14 3.68 2.01 -0.46 -0.76 115.64 126.44 1pii s THR 162 Ca 0.01 0.22 -0.18 0.00 0.31 0.00 0.00 61.69 62.05 1pii s THR 162 Cb -0.19 -4.02 -0.04 0.00 0.01 0.00 0.00 72.50 68.26 1pii s THR 162 CO 0.04 -0.31 0.46 -0.70 -0.69 0.00 0.00 174.62 173.41 1pii s GLU 163 N 2.45 4.31 0.13 4.92 2.12 -0.59 0.21 118.70 132.24 1pii s GLU 163 Ca 0.19 0.39 0.07 0.00 0.36 0.00 0.00 54.97 55.98 1pii s GLU 163 Cb -0.15 -3.46 -0.04 0.00 0.26 0.00 0.00 34.13 30.74 1pii s GLU 163 CO 0.14 0.12 -0.16 0.14 -0.54 0.00 0.00 175.26 174.96 1pii s VAL 164 N 0.76 1.51 0.00 3.70 -7.23 -0.02 -1.70 120.40 117.41 1pii s VAL 164 Ca 0.24 -1.75 0.00 0.00 -1.81 0.00 0.00 61.98 58.66 1pii s VAL 164 Cb -0.15 -1.61 0.00 0.00 0.56 0.00 0.00 36.38 35.18 1pii s VAL 164 CO 0.09 -0.35 0.51 -1.54 -0.31 0.00 0.00 175.10 173.51 1pii n SER 165 N 0.53 0.77 -3.52 4.85 3.41 -1.26 -1.09 113.62 117.31 1pii n SER 165 Ca -0.15 -1.26 -0.04 0.00 -0.26 0.00 0.00 58.87 57.16 1pii n SER 165 Cb 0.57 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.52 1pii n SER 165 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 1pii s ASN 166 N -0.26 -0.09 0.17 4.04 2.20 -1.26 -4.94 114.94 114.80 1pii s ASN 166 Ca 0.00 -0.58 -0.15 0.00 -0.94 0.00 0.00 52.86 51.19 1pii s ASN 166 Cb 0.00 0.52 0.05 0.00 -2.00 0.00 0.00 41.25 39.82 1pii s ASN 166 CO 0.00 -1.01 1.82 -0.08 -2.94 0.00 0.00 177.10 174.90 1pii h GLU 167 N 2.00 0.60 -0.98 3.55 4.81 -1.98 -0.96 114.58 121.61 1pii h GLU 167 Ca -0.26 -0.04 0.00 0.00 -0.13 0.00 0.00 59.36 58.94 1pii h GLU 167 Cb 1.23 -0.13 -0.05 0.00 0.63 0.00 0.00 28.75 30.42 1pii h GLU 167 CO 0.31 0.39 0.63 1.49 -0.73 0.00 0.00 179.01 181.10 1pii h GLU 168 N 0.61 1.31 -0.58 1.92 4.81 -2.00 -1.87 114.58 118.78 1pii h GLU 168 Ca 0.18 -0.09 -0.05 0.00 -0.13 0.00 0.00 59.36 59.27 1pii h GLU 168 Cb -0.05 -0.29 -0.02 0.00 0.63 0.00 0.00 28.75 29.02 1pii h GLU 168 CO -0.05 0.88 0.19 0.93 -0.73 0.00 0.00 179.01 180.23 1pii h GLU 169 N 1.34 0.90 -0.76 1.92 5.08 -1.88 -1.84 114.58 119.34 1pii h GLU 169 Ca 0.36 -0.19 -0.01 0.00 -1.00 0.00 0.00 59.36 58.51 1pii h GLU 169 Cb -0.12 -0.13 -0.04 0.00 0.50 0.00 0.00 28.75 28.96 1pii h GLU 169 CO -0.07 0.81 0.42 0.37 -1.00 0.00 0.00 179.01 179.53 1pii h GLN 170 N 0.82 1.05 -0.20 2.33 -0.00 -0.67 0.62 115.11 119.06 1pii h GLN 170 Ca 0.19 -0.11 -0.03 0.00 -0.00 0.00 0.00 58.65 58.70 1pii h GLN 170 Cb 0.28 -0.21 -0.01 0.00 0.00 0.00 0.00 27.48 27.54 1pii h GLN 170 CO -0.01 0.76 0.02 0.93 0.00 0.00 0.00 178.83 180.53 1pii h GLU 171 N 1.06 0.34 -0.77 1.69 5.08 -1.03 -1.82 114.58 119.12 1pii h GLU 171 Ca 0.27 -0.10 0.09 0.00 -1.00 0.00 0.00 59.36 58.62 1pii h GLU 171 Cb 0.02 -0.04 -0.07 0.00 0.50 0.00 0.00 28.75 29.16 1pii h GLU 171 CO -0.04 0.52 0.42 0.00 -1.00 0.00 0.00 179.01 178.91 1pii h ARG 172 N 0.12 0.69 -0.74 2.33 3.08 -1.13 -0.65 114.38 118.08 1pii h ARG 172 Ca 0.06 -0.04 0.04 0.00 0.07 0.00 0.00 59.98 60.10 1pii h ARG 172 Cb 0.35 -0.16 -0.05 0.00 0.08 0.00 0.00 29.97 30.20 1pii h ARG 172 CO 0.01 0.46 0.46 0.00 -1.07 0.00 0.00 179.97 179.82 1pii h ALA 173 N 1.44 0.97 -0.36 0.04 0.00 -0.37 0.56 119.26 121.54 1pii h ALA 173 Ca 0.37 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 55.24 1pii h ALA 173 Cb 0.36 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.90 1pii h ALA 173 CO -0.25 0.23 0.14 0.82 0.00 0.00 0.00 179.25 180.19 1pii h ILE 174 N 0.89 1.19 -0.93 0.00 2.04 -0.56 -2.38 117.51 117.76 1pii h ILE 174 Ca 0.30 -0.59 0.02 0.00 1.00 0.00 0.00 64.86 65.59 1pii h ILE 174 Cb 0.04 0.91 -0.05 0.00 -0.74 0.00 0.00 36.82 36.98 1pii h ILE 174 CO -0.12 0.21 0.62 0.00 0.00 0.00 0.00 178.15 178.86 1pii h ALA 175 N 0.98 1.37 -0.00 1.87 0.00 -0.43 -1.40 119.26 121.65 1pii h ALA 175 Ca 0.12 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.97 1pii h ALA 175 Cb 0.19 -0.36 0.00 0.00 0.00 0.00 0.00 17.79 17.63 1pii h ALA 175 CO -0.01 0.56 -0.04 1.28 0.00 0.00 0.00 179.25 181.05 1pii n LEU 176 N -4.42 0.06 -0.33 0.00 4.77 0.19 -4.94 117.00 112.34 1pii n LEU 176 Ca 0.12 0.37 -0.03 0.00 -0.03 0.00 0.00 56.01 56.43 1pii n LEU 176 Cb 0.06 -0.39 -0.01 0.00 -2.33 0.00 0.00 43.42 40.75 1pii n LEU 176 CO 0.36 0.01 -0.04 0.61 -1.33 0.00 0.00 177.39 177.00 1pii n GLY 177 N 1.42 0.36 3.75 -0.72 0.00 -0.53 -4.98 105.19 104.48 1pii n GLY 177 Ca 0.10 -0.81 -0.41 0.00 0.00 0.00 0.00 46.02 44.89 1pii n GLY 177 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1pii s ALA 178 N -2.15 3.64 -0.08 4.61 0.00 -1.04 -4.91 121.76 121.82 1pii s ALA 178 Ca 0.00 1.35 0.15 0.00 0.00 0.00 0.00 51.96 53.45 1pii s ALA 178 Cb 0.00 -3.57 -0.14 0.00 0.00 0.00 0.00 23.12 19.42 1pii s ALA 178 CO 0.00 -0.76 0.92 0.87 0.00 0.00 0.00 175.76 176.79 1pii h LYS 179 N 5.03 0.00 -4.20 0.00 1.57 -1.92 -3.44 116.57 113.61 1pii h LYS 179 Ca -0.46 0.00 -0.58 0.00 -1.87 0.00 0.00 60.65 57.74 1pii h LYS 179 Cb 1.22 0.00 -0.38 0.00 0.08 0.00 0.00 32.23 33.15 1pii h LYS 179 CO 0.78 0.44 -0.79 0.08 -0.57 0.00 0.00 179.45 179.39 1pii s VAL 180 N -2.83 1.27 -0.11 0.50 1.01 -1.26 -1.93 120.40 117.04 1pii s VAL 180 Ca -0.02 -0.92 -0.01 0.00 0.00 0.00 0.00 61.98 61.02 1pii s VAL 180 Cb 0.08 -1.52 -0.03 0.00 0.00 0.00 0.00 36.38 34.92 1pii s VAL 180 CO 0.81 -0.02 -0.05 -0.69 0.00 0.00 0.00 175.10 175.14 1pii s VAL 181 N 1.53 3.78 -0.19 2.92 1.01 0.89 -1.36 120.40 128.99 1pii s VAL 181 Ca -0.03 -0.42 -0.06 0.00 0.00 0.00 0.00 61.98 61.47 1pii s VAL 181 Cb -0.17 -2.60 -0.03 0.00 0.00 0.00 0.00 36.38 33.58 1pii s VAL 181 CO -0.07 0.55 0.02 -0.83 0.00 0.00 0.00 175.10 174.77 1pii s GLY 182 N -0.20 1.78 -0.30 4.51 0.00 0.13 -0.01 107.32 113.23 1pii s GLY 182 Ca 0.03 -0.89 -0.22 0.00 0.00 0.00 0.00 44.72 43.64 1pii s GLY 182 CO 0.03 0.14 0.74 -0.42 0.00 0.00 0.00 173.10 173.59 1pii s ILE 183 N 0.73 4.84 -0.40 0.90 1.01 0.84 -0.84 121.20 128.27 1pii s ILE 183 Ca 0.01 1.10 -0.20 0.00 0.00 0.00 0.00 60.65 61.56 1pii s ILE 183 Cb -0.14 -4.10 0.01 0.00 0.01 0.00 0.00 42.46 38.25 1pii s ILE 183 CO 0.02 -0.20 0.60 0.21 0.00 0.00 0.00 174.94 175.56 1pii s ASN 184 N 1.61 6.33 0.19 3.58 3.84 -0.25 -0.51 114.94 129.72 1pii s ASN 184 Ca 0.30 -0.22 0.21 0.00 0.21 0.00 0.00 52.86 53.35 1pii s ASN 184 Cb -0.14 -2.30 0.88 0.00 -0.55 0.00 0.00 41.25 39.13 1pii s ASN 184 CO 0.12 -0.67 1.63 0.59 -2.79 0.00 0.00 177.10 175.99 1pii n ASN 185 N 6.06 0.48 -4.70 -4.21 3.02 0.10 -4.53 115.26 111.48 1pii n ASN 185 Ca -0.03 0.62 -0.36 0.00 -0.03 0.00 0.00 54.58 54.79 1pii n ASN 185 Cb 0.48 -0.72 -0.09 0.00 -0.61 0.00 0.00 39.78 38.84 1pii n ASN 185 CO 0.00 0.00 0.00 -0.60 -2.62 0.00 0.00 177.26 174.04 1pii s ARG 186 N -3.23 4.13 -0.43 3.52 3.52 -1.26 -0.98 118.95 124.21 1pii s ARG 186 Ca 0.05 -0.25 -0.20 0.00 -0.13 0.00 0.00 55.73 55.20 1pii s ARG 186 Cb 0.09 -3.45 0.02 0.00 -1.56 0.00 0.00 34.95 30.06 1pii s ARG 186 CO 0.35 0.21 0.58 0.34 -0.81 0.00 0.00 175.30 175.97 1pii s ASP 187 N 0.62 6.29 0.00 -2.12 -1.08 0.21 -4.90 116.67 115.68 1pii s ASP 187 Ca 0.07 -0.43 0.08 0.00 -0.52 0.00 0.00 52.55 51.76 1pii s ASP 187 Cb -0.12 -2.29 0.33 0.00 -1.46 0.00 0.00 42.92 39.38 1pii s ASP 187 CO 0.00 -0.71 1.25 0.18 0.52 0.00 0.00 175.17 176.41 1pii n LEU 188 N 6.05 0.00 -0.11 -1.34 4.77 -1.26 0.27 117.00 125.38 1pii n LEU 188 Ca -0.03 0.50 -0.13 0.00 -0.03 0.00 0.00 56.01 56.31 1pii n LEU 188 Cb 0.48 -0.50 -0.03 0.00 -2.33 0.00 0.00 43.42 41.04 1pii n LEU 188 CO 0.51 -0.36 0.54 0.03 -1.33 0.00 0.00 177.39 176.78 1pii h ARG 189 N 0.00 0.88 0.00 3.23 3.08 -1.95 -2.22 114.38 117.40 1pii h ARG 189 Ca 0.00 -0.48 0.00 0.00 0.07 0.00 0.00 59.98 59.57 1pii h ARG 189 Cb 0.13 0.02 0.00 0.00 0.08 0.00 0.00 29.97 30.21 1pii h ARG 189 CO 0.00 1.12 0.00 -0.40 -1.07 0.00 0.00 179.97 179.62 1pii n ASP 190 N -4.10 1.29 0.00 7.04 5.68 -0.60 -2.66 116.55 123.20 1pii n ASP 190 Ca -0.03 -1.64 0.00 0.00 -0.50 0.00 0.00 54.79 52.62 1pii n ASP 190 Cb 0.54 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.52 1pii n ASP 190 CO 0.00 0.00 0.00 0.18 -1.33 0.00 0.00 177.20 176.05 1pii n LEU 191 N -0.32 0.55 -4.78 -2.12 4.77 0.14 -4.98 117.00 110.26 1pii n LEU 191 Ca 0.00 0.00 -0.36 0.00 -0.03 0.00 0.00 56.01 55.62 1pii n LEU 191 Cb 0.33 -0.94 -0.02 0.00 -2.33 0.00 0.00 43.42 40.46 1pii n LEU 191 CO 0.00 -0.32 0.77 -0.94 -1.33 0.00 0.00 177.39 175.58 1pii s SER 192 N -2.38 6.14 -0.07 -1.43 1.04 -1.24 -4.74 113.70 111.02 1pii s SER 192 Ca 0.00 2.14 0.05 0.00 0.48 0.00 0.00 55.95 58.62 1pii s SER 192 Cb 0.00 -2.58 -0.01 0.00 0.10 0.00 0.00 66.02 63.52 1pii s SER 192 CO 0.00 -0.93 -0.21 -0.63 0.98 0.00 0.00 173.24 172.45 1pii s ILE 193 N -1.73 2.42 -0.27 -1.02 1.01 -1.26 -0.62 121.20 119.73 1pii s ILE 193 Ca 0.67 -0.93 -0.00 0.00 0.00 0.00 0.00 60.65 60.38 1pii s ILE 193 Cb -0.23 -1.92 0.16 0.00 0.01 0.00 0.00 42.46 40.47 1pii s ILE 193 CO 0.28 0.57 0.45 -0.62 0.00 0.00 0.00 174.94 175.62 1pii s ASP 194 N -0.20 -0.22 0.36 3.58 2.15 -0.15 -5.00 116.67 117.19 1pii s ASP 194 Ca -0.02 0.19 0.21 0.00 0.43 0.00 0.00 52.55 53.37 1pii s ASP 194 Cb -0.13 1.41 1.16 0.00 -0.30 0.00 0.00 42.92 45.06 1pii s ASP 194 CO 0.03 -0.31 1.63 -0.07 -0.17 0.00 0.00 175.17 176.29 1pii h LEU 195 N 8.12 0.00 -1.33 -1.34 3.38 -1.92 -2.12 115.31 120.11 1pii h LEU 195 Ca -0.16 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.81 1pii h LEU 195 Cb 1.15 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.90 1pii h LEU 195 CO 0.26 0.00 0.00 0.78 0.09 0.00 0.00 178.44 179.57 1pii h ASN 196 N 0.00 0.00 -0.97 -0.43 2.35 -1.94 -2.21 115.58 112.39 1pii h ASN 196 Ca 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 1pii h ASN 196 Cb 0.17 0.00 -0.05 0.00 0.05 0.00 0.00 38.32 38.49 1pii h ASN 196 CO 0.00 0.00 0.62 0.03 -1.65 0.00 0.00 177.43 176.43 1pii h ARG 197 N 0.00 1.29 -0.03 0.81 2.47 -1.74 0.11 114.38 117.28 1pii h ARG 197 Ca 0.00 -0.09 -0.02 0.00 -1.26 0.00 0.00 59.98 58.61 1pii h ARG 197 Cb 0.33 -0.28 -0.00 0.00 -1.65 0.00 0.00 29.97 28.37 1pii h ARG 197 CO 0.00 0.87 -0.05 1.15 0.56 0.00 0.00 179.97 182.50 1pii h THR 198 N 1.32 1.43 -0.81 2.04 2.02 -1.64 -0.53 112.91 116.73 1pii h THR 198 Ca 0.35 -1.34 0.07 0.00 0.77 0.00 0.00 66.41 66.26 1pii h THR 198 Cb -0.12 2.26 -0.06 0.00 -1.74 0.00 0.00 68.15 68.49 1pii h THR 198 CO -0.07 0.36 0.49 0.03 0.37 0.00 0.00 175.52 176.69 1pii h ARG 199 N -0.44 0.84 0.11 6.66 3.08 -0.95 -0.92 114.38 122.77 1pii h ARG 199 Ca 0.00 -0.05 -0.28 0.00 0.07 0.00 0.00 59.98 59.72 1pii h ARG 199 Cb 0.61 -0.19 -0.00 0.00 0.08 0.00 0.00 29.97 30.47 1pii h ARG 199 CO 0.01 0.56 -1.36 0.93 -1.07 0.00 0.00 179.97 179.04 1pii h GLU 200 N 0.87 0.24 0.02 0.04 5.08 -0.85 -3.40 114.58 116.58 1pii h GLU 200 Ca 0.37 -0.41 -0.33 0.00 -1.00 0.00 0.00 59.36 57.99 1pii h GLU 200 Cb 0.22 0.15 -0.05 0.00 0.50 0.00 0.00 28.75 29.58 1pii h GLU 200 CO -0.19 1.15 -1.94 1.28 -1.00 0.00 0.00 179.01 178.31 1pii n LEU 201 N -3.48 1.16 -0.07 1.33 4.77 -0.21 -4.47 117.00 116.04 1pii n LEU 201 Ca -0.12 0.27 -0.09 0.00 -0.03 0.00 0.00 56.01 56.04 1pii n LEU 201 Cb 1.03 -0.07 -0.02 0.00 -2.33 0.00 0.00 43.42 42.03 1pii n LEU 201 CO 0.52 0.53 0.96 0.00 -1.33 0.00 0.00 177.39 178.06 1pii h ALA 202 N 0.77 0.32 -0.58 -1.18 0.00 -1.31 -3.02 119.26 114.25 1pii h ALA 202 Ca -0.38 0.00 0.08 0.00 0.00 0.00 0.00 54.91 54.61 1pii h ALA 202 Cb 2.06 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 19.75 1pii h ALA 202 CO 0.06 -0.25 0.39 -1.35 0.00 0.00 0.00 179.25 178.10 1pii h PRO 203 N 0.30 0.47 0.00 0.00 0.11 -1.78 -0.72 132.00 130.38 1pii h PRO 203 Ca 0.11 -0.03 -0.02 0.00 0.11 0.00 0.00 66.00 66.17 1pii h PRO 203 Cb 0.02 -0.11 -0.00 0.00 0.11 0.00 0.00 31.00 31.02 1pii h PRO 203 CO -0.06 0.31 -0.10 0.87 -0.21 0.00 0.00 178.00 178.81 1pii h LYS 204 N 0.49 0.00 -0.91 1.05 1.57 -1.76 -3.06 116.57 113.94 1pii h LYS 204 Ca 0.26 0.00 0.01 0.00 -1.87 0.00 0.00 60.65 59.06 1pii h LYS 204 Cb 0.39 0.00 -0.05 0.00 0.08 0.00 0.00 32.23 32.66 1pii h LYS 204 CO -0.07 0.10 0.60 -0.07 -0.57 0.00 0.00 179.45 179.43 1pii h LEU 205 N 0.00 1.03 0.00 2.94 3.38 -1.21 -3.48 115.31 117.97 1pii h LEU 205 Ca -0.00 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.95 1pii h LEU 205 Cb 0.38 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 40.88 1pii h LEU 205 CO 0.01 0.74 0.00 0.61 0.09 0.00 0.00 178.44 179.89 1pii n GLY 206 N -1.40 0.74 0.34 0.83 0.00 -1.16 -4.55 105.19 99.99 1pii n GLY 206 Ca 0.11 -1.59 0.19 0.00 0.00 0.00 0.00 46.02 44.73 1pii n GLY 206 CO 0.00 0.00 0.00 1.12 0.00 0.00 0.00 173.32 174.44 1pii h HIS 207 N 0.00 0.00 0.00 1.61 2.07 -1.93 -2.04 115.15 114.85 1pii h HIS 207 Ca 0.00 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.52 1pii h HIS 207 Cb 0.00 0.00 0.00 0.00 2.57 0.00 0.00 27.41 29.98 1pii h HIS 207 CO 0.00 0.00 -0.43 0.09 -3.07 0.00 0.00 177.93 174.52 1pii n ASN 208 N -3.10 0.45 -4.72 3.10 4.13 -1.26 -4.83 115.26 109.02 1pii n ASN 208 Ca -0.02 -0.03 -0.35 0.00 1.68 0.00 0.00 54.58 55.86 1pii n ASN 208 Cb 0.25 0.08 -0.08 0.00 -1.54 0.00 0.00 39.78 38.48 1pii n ASN 208 CO 0.00 0.00 0.00 -0.69 0.28 0.00 0.00 177.26 176.85 1pii s VAL 209 N -3.03 4.95 -0.21 2.41 1.01 -0.77 -4.96 120.40 119.79 1pii s VAL 209 Ca 0.11 0.01 -0.25 0.00 0.00 0.00 0.00 61.98 61.85 1pii s VAL 209 Cb 0.17 -3.18 -0.01 0.00 0.00 0.00 0.00 36.38 33.36 1pii s VAL 209 CO 0.67 0.54 0.82 -0.89 0.00 0.00 0.00 175.10 176.24 1pii s THR 210 N -0.32 4.86 -0.19 3.92 2.01 -0.81 -4.82 115.64 120.28 1pii s THR 210 Ca 0.09 1.58 -0.08 0.00 0.31 0.00 0.00 61.69 63.60 1pii s THR 210 Cb -0.12 -4.12 -0.04 0.00 0.01 0.00 0.00 72.50 68.23 1pii s THR 210 CO 0.01 -0.03 0.07 -0.69 -0.69 0.00 0.00 174.62 173.29 1pii s VAL 211 N 2.54 4.77 -0.09 3.82 1.01 -1.26 -0.08 120.40 131.11 1pii s VAL 211 Ca 0.36 -0.04 0.02 0.00 0.00 0.00 0.00 61.98 62.32 1pii s VAL 211 Cb -0.16 -3.16 -0.02 0.00 0.00 0.00 0.00 36.38 33.04 1pii s VAL 211 CO 0.09 0.44 -0.13 -0.63 0.00 0.00 0.00 175.10 174.87 1pii s ILE 212 N 0.50 3.09 -0.19 2.22 -1.09 0.99 -0.60 121.20 126.11 1pii s ILE 212 Ca 0.03 -0.68 -0.11 0.00 -2.23 0.00 0.00 60.65 57.66 1pii s ILE 212 Cb -0.13 -2.25 -0.05 0.00 -1.58 0.00 0.00 42.46 38.45 1pii s ILE 212 CO 0.01 0.56 0.18 -0.55 -1.23 0.00 0.00 174.94 173.91 1pii s SER 213 N -0.20 6.26 -0.00 3.58 0.15 0.24 -0.11 113.70 123.61 1pii s SER 213 Ca 0.00 0.30 0.08 0.00 0.70 0.00 0.00 55.95 57.03 1pii s SER 213 Cb -0.13 -2.12 -0.02 0.00 -1.71 0.00 0.00 66.02 62.04 1pii s SER 213 CO 0.03 0.14 -0.26 -1.83 1.20 0.00 0.00 173.24 172.52 1pii s GLU 214 N 0.50 2.03 0.08 5.44 -1.05 0.33 -1.89 118.70 124.15 1pii s GLU 214 Ca 0.10 -0.97 0.00 0.00 -0.15 0.00 0.00 54.97 53.95 1pii s GLU 214 Cb -0.12 -2.02 0.00 0.00 -0.44 0.00 0.00 34.13 31.55 1pii s GLU 214 CO 0.00 0.55 0.00 0.43 0.95 0.00 0.00 175.26 177.19 1pii n SER 215 N 2.28 -2.23 0.00 0.83 7.64 -1.23 0.00 113.62 120.92 1pii n SER 215 Ca -0.16 0.20 0.00 0.00 1.01 0.00 0.00 58.87 59.92 1pii n SER 215 Cb 0.51 0.07 0.00 0.00 -1.01 0.00 0.00 64.21 63.78 1pii n SER 215 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1pii n GLY 216 N -0.97 0.58 3.47 0.23 0.00 -1.26 -4.54 105.19 102.70 1pii n GLY 216 Ca 0.00 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.59 1pii n GLY 216 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1pii s ILE 217 N -2.03 4.94 -0.02 -0.61 1.09 -1.26 -4.89 121.20 118.42 1pii s ILE 217 Ca 0.00 -0.37 0.04 0.00 -1.10 0.00 0.00 60.65 59.21 1pii s ILE 217 Cb 0.00 -4.20 -0.06 0.00 -1.06 0.00 0.00 42.46 37.14 1pii s ILE 217 CO 0.00 -0.65 0.06 0.59 -0.10 0.00 0.00 174.94 174.84 1pii n ASN 218 N 5.98 4.09 -4.42 3.58 5.03 -1.26 -4.79 115.26 123.48 1pii n ASN 218 Ca -0.06 0.00 -0.22 0.00 0.87 0.00 0.00 54.58 55.17 1pii n ASN 218 Cb 0.46 0.96 -0.10 0.00 -1.02 0.00 0.00 39.78 40.08 1pii n ASN 218 CO 0.00 0.00 0.00 0.42 -1.83 0.00 0.00 177.26 175.85 1pii s THR 219 N -2.21 2.18 0.29 3.41 -4.23 -1.26 -4.73 115.64 109.10 1pii s THR 219 Ca -0.02 -2.33 -0.02 0.00 -1.18 0.00 0.00 61.69 58.14 1pii s THR 219 Cb 0.02 -2.21 0.24 0.00 1.34 0.00 0.00 72.50 71.90 1pii s THR 219 CO 0.16 -0.47 1.94 0.22 -0.54 0.00 0.00 174.62 175.93 1pii h TYR 220 N 2.38 1.04 -0.74 3.99 3.20 -1.69 -0.18 116.97 124.98 1pii h TYR 220 Ca -0.39 0.01 -0.05 0.00 3.14 0.00 0.00 58.73 61.44 1pii h TYR 220 Cb 1.24 -0.35 -0.03 0.00 1.54 0.00 0.00 36.73 39.14 1pii h TYR 220 CO 0.77 0.68 0.27 0.00 -1.64 0.00 0.00 178.16 178.25 1pii h ALA 221 N 1.45 1.09 -0.58 1.82 0.00 -1.88 0.95 119.26 122.11 1pii h ALA 221 Ca 0.29 -0.20 -0.10 0.00 0.00 0.00 0.00 54.91 54.90 1pii h ALA 221 Cb -0.07 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 17.41 1pii h ALA 221 CO -0.06 0.64 -0.03 1.96 0.00 0.00 0.00 179.25 181.76 1pii h GLN 222 N 1.08 1.04 -0.70 0.00 4.20 -1.75 -1.62 115.11 117.36 1pii h GLN 222 Ca 0.24 -0.35 -0.01 0.00 0.06 0.00 0.00 58.65 58.60 1pii h GLN 222 Cb 0.23 -0.09 -0.03 0.00 0.30 0.00 0.00 27.48 27.89 1pii h GLN 222 CO -0.02 1.04 0.41 0.28 -0.67 0.00 0.00 178.83 179.87 1pii h VAL 223 N 0.93 1.20 -0.42 -0.54 2.07 0.03 -1.40 116.25 118.12 1pii h VAL 223 Ca 0.16 -0.47 -0.10 0.00 0.82 0.00 0.00 66.70 67.11 1pii h VAL 223 Cb 0.59 0.25 -0.02 0.00 -1.52 0.00 0.00 31.29 30.60 1pii h VAL 223 CO 0.04 0.22 -0.15 0.03 0.02 0.00 0.00 177.57 177.72 1pii h ARG 224 N 0.95 0.79 0.08 1.57 2.47 -0.52 -2.07 114.38 117.64 1pii h ARG 224 Ca 0.25 -0.28 -0.00 0.00 -1.26 0.00 0.00 59.98 58.68 1pii h ARG 224 Cb -0.01 -0.06 0.00 0.00 -1.65 0.00 0.00 29.97 28.25 1pii h ARG 224 CO -0.04 0.89 -0.04 1.49 0.56 0.00 0.00 179.97 182.83 1pii h GLU 225 N 0.71 -0.10 0.00 0.04 4.81 -1.20 -3.28 114.58 115.56 1pii h GLU 225 Ca 0.11 0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.35 1pii h GLU 225 Cb 0.64 0.02 0.00 0.00 0.63 0.00 0.00 28.75 30.04 1pii h GLU 225 CO 0.04 0.27 0.00 -0.07 -0.73 0.00 0.00 179.01 178.52 1pii h LEU 226 N -0.48 0.00 -0.40 1.64 3.38 -1.18 -2.61 115.31 115.66 1pii h LEU 226 Ca -0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.96 1pii h LEU 226 Cb 0.41 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.16 1pii h LEU 226 CO 0.02 0.00 0.00 -1.54 0.09 0.00 0.00 178.44 177.01 1pii n SER 227 N -2.68 0.26 -0.26 -0.43 3.41 -0.79 0.02 113.62 113.15 1pii n SER 227 Ca 0.02 0.58 0.13 0.00 -0.26 0.00 0.00 58.87 59.34 1pii n SER 227 Cb 0.32 -0.63 0.40 0.00 -0.26 0.00 0.00 64.21 64.04 1pii n SER 227 CO 0.00 0.00 0.00 1.41 -0.16 0.00 0.00 175.04 176.29 1pii n HIS 228 N -1.80 0.00 -0.06 7.33 8.25 -0.98 -3.86 115.22 124.09 1pii n HIS 228 Ca 0.02 0.00 -0.06 0.00 -0.26 0.00 0.00 57.72 57.41 1pii n HIS 228 Cb 0.13 -0.11 -0.09 0.00 1.12 0.00 0.00 29.99 31.03 1pii n HIS 228 CO 0.00 0.00 0.00 1.19 0.64 0.00 0.00 176.34 178.17 1pii n PHE 229 N -0.58 0.00 -4.37 4.41 3.01 0.10 -5.03 117.46 115.00 1pii n PHE 229 Ca 0.13 0.00 -0.19 0.00 1.01 0.00 0.00 57.45 58.40 1pii n PHE 229 Cb 0.35 -0.60 -0.10 0.00 -0.01 0.00 0.00 39.48 39.12 1pii n PHE 229 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1pii s ALA 230 N -2.29 2.10 -1.20 4.37 0.00 0.00 -4.40 121.76 120.34 1pii s ALA 230 Ca -0.07 -1.72 0.25 0.00 0.00 0.00 0.00 51.96 50.43 1pii s ALA 230 Cb 0.04 -0.03 0.52 0.00 0.00 0.00 0.00 23.12 23.65 1pii s ALA 230 CO 0.49 0.04 1.42 0.09 0.00 0.00 0.00 175.76 177.80 1pii n ASN 231 N -0.43 0.68 -3.65 0.00 4.13 0.23 -4.52 115.26 111.70 1pii n ASN 231 Ca -0.07 -0.47 0.00 0.00 1.68 0.00 0.00 54.58 55.72 1pii n ASN 231 Cb 0.61 0.27 0.00 0.00 -1.54 0.00 0.00 39.78 39.12 1pii n ASN 231 CO 0.00 0.00 0.00 -0.83 0.28 0.00 0.00 177.26 176.71 1pii s GLY 232 N -2.87 -0.23 0.02 7.41 0.00 -0.99 -1.87 107.32 108.79 1pii s GLY 232 Ca 0.14 0.27 0.03 0.00 0.00 0.00 0.00 44.72 45.17 1pii s GLY 232 CO 0.66 1.97 -0.10 -1.36 0.00 0.00 0.00 173.10 174.27 1pii s PHE 233 N -2.38 0.89 -0.24 1.90 0.08 -0.62 0.80 117.98 118.40 1pii s PHE 233 Ca 0.19 -0.29 -0.05 0.00 0.12 0.00 0.00 56.93 56.90 1pii s PHE 233 Cb 0.01 -0.54 -0.01 0.00 -0.57 0.00 0.00 43.02 41.92 1pii s PHE 233 CO -0.01 -0.01 -0.00 -1.17 -0.10 0.00 0.00 175.22 173.93 1pii s LEU 234 N -0.83 3.18 0.00 -0.37 0.20 -0.79 -0.30 118.68 119.77 1pii s LEU 234 Ca -0.00 -0.45 0.03 0.00 0.69 0.00 0.00 54.13 54.40 1pii s LEU 234 Cb -0.06 -1.79 -0.01 0.00 -0.43 0.00 0.00 46.19 43.90 1pii s LEU 234 CO 0.00 -0.06 -0.10 -0.63 -0.29 0.00 0.00 176.35 175.27 1pii s ILE 235 N 1.49 0.81 0.21 6.68 1.01 -0.95 -3.48 121.20 126.99 1pii s ILE 235 Ca 0.05 -0.53 0.00 0.00 0.00 0.00 0.00 60.65 60.17 1pii s ILE 235 Cb -0.15 -0.70 0.00 0.00 0.01 0.00 0.00 42.46 41.62 1pii s ILE 235 CO -0.01 0.16 0.00 0.61 0.00 0.00 0.00 174.94 175.70 1pii n GLY 236 N 2.65 -0.98 0.41 6.18 0.00 -1.26 -1.04 105.19 111.13 1pii n GLY 236 Ca -0.15 0.18 -0.11 0.00 0.00 0.00 0.00 46.02 45.94 1pii n GLY 236 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 1pii h SER 237 N 0.00 -1.45 -0.18 1.61 0.02 -1.92 0.26 113.55 111.89 1pii h SER 237 Ca 0.00 0.21 0.05 0.00 -0.84 0.00 0.00 61.79 61.21 1pii h SER 237 Cb 0.00 0.61 -0.01 0.00 0.14 0.00 0.00 62.40 63.14 1pii h SER 237 CO 0.00 -0.40 0.70 0.00 -1.14 0.00 0.00 176.83 175.99 1pii h ALA 238 N 0.24 1.88 0.00 3.77 0.00 -1.94 -0.90 119.26 122.31 1pii h ALA 238 Ca 0.11 -0.01 -0.36 0.00 0.00 0.00 0.00 54.91 54.65 1pii h ALA 238 Cb 0.61 0.01 -0.06 0.00 0.00 0.00 0.00 17.79 18.35 1pii h ALA 238 CO -0.51 -0.79 -2.35 1.28 0.00 0.00 0.00 179.25 176.87 1pii n LEU 239 N -2.90 2.93 0.17 0.00 4.77 0.69 -4.52 117.00 118.14 1pii n LEU 239 Ca 0.03 -0.11 0.05 0.00 -0.03 0.00 0.00 56.01 55.95 1pii n LEU 239 Cb 0.78 -0.83 0.50 0.00 -2.33 0.00 0.00 43.42 41.55 1pii n LEU 239 CO 0.12 0.88 1.00 0.24 -1.33 0.00 0.00 177.39 178.30 1pii h MET 240 N -0.04 0.16 0.00 3.23 2.86 0.44 -2.36 114.93 119.22 1pii h MET 240 Ca -0.53 -0.02 0.00 0.00 -2.06 0.00 0.00 59.70 57.08 1pii h MET 240 Cb 1.81 -0.03 0.00 0.00 0.06 0.00 0.00 31.60 33.44 1pii h MET 240 CO -0.10 0.21 0.00 0.00 1.06 0.00 0.00 176.91 178.08 1pii n ALA 241 N -2.51 2.33 -2.35 6.32 0.00 -0.77 -4.51 120.51 119.02 1pii n ALA 241 Ca -0.01 -0.08 -0.31 0.00 0.00 0.00 0.00 53.44 53.04 1pii n ALA 241 Cb 0.17 -1.21 -0.16 0.00 0.00 0.00 0.00 19.45 18.25 1pii n ALA 241 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.50 176.49 1pii s HIS 242 N -2.00 2.29 0.07 0.00 3.76 -0.89 -5.02 115.29 113.50 1pii s HIS 242 Ca 0.19 -0.45 -0.33 0.00 -0.15 0.00 0.00 55.06 54.32 1pii s HIS 242 Cb 0.09 -1.48 -0.19 0.00 1.11 0.00 0.00 32.58 32.11 1pii s HIS 242 CO 0.15 -0.05 1.62 -0.44 -0.85 0.00 0.00 174.74 175.17 1pii h ASP 243 N 5.54 -0.81 -2.56 1.40 3.32 -1.87 -3.38 116.42 118.07 1pii h ASP 243 Ca -0.42 0.03 -0.55 0.00 0.02 0.00 0.00 57.03 56.11 1pii h ASP 243 Cb 1.13 0.21 -0.08 0.00 0.22 0.00 0.00 39.33 40.81 1pii h ASP 243 CO 0.47 -0.57 1.01 -0.62 -1.72 0.00 0.00 179.24 177.82 1pii s ASP 244 N -4.38 6.22 0.04 6.45 2.15 -1.26 -4.90 116.67 121.00 1pii s ASP 244 Ca -0.18 -0.35 -0.19 0.00 0.43 0.00 0.00 52.55 52.26 1pii s ASP 244 Cb 0.03 -2.55 -0.16 0.00 -0.30 0.00 0.00 42.92 39.94 1pii s ASP 244 CO 0.62 -1.74 1.27 0.25 -0.17 0.00 0.00 175.17 175.40 1pii h LEU 245 N 12.69 0.50 -0.23 -1.34 5.85 -1.89 -1.47 115.31 129.40 1pii h LEU 245 Ca -0.27 -0.58 0.06 0.00 0.84 0.00 0.00 57.88 57.92 1pii h LEU 245 Cb 1.05 -0.14 -0.06 0.00 0.37 0.00 0.00 40.66 41.88 1pii h LEU 245 CO 1.25 0.99 -0.17 0.45 -0.34 0.00 0.00 178.44 180.62 1pii h HIS 246 N 0.03 -0.43 -0.30 1.25 3.86 -1.96 0.85 115.15 118.45 1pii h HIS 246 Ca -0.00 0.03 0.04 0.00 -1.16 0.00 0.00 60.37 59.28 1pii h HIS 246 Cb 0.92 0.23 -0.04 0.00 1.06 0.00 0.00 27.41 29.58 1pii h HIS 246 CO 0.11 -0.24 0.05 0.00 0.86 0.00 0.00 177.93 178.70 1pii h ALA 247 N 0.97 0.30 -1.00 2.45 0.00 -1.95 -1.14 119.26 118.89 1pii h ALA 247 Ca 0.13 0.06 0.05 0.00 0.00 0.00 0.00 54.91 55.16 1pii h ALA 247 Cb 0.37 0.09 -0.06 0.00 0.00 0.00 0.00 17.79 18.18 1pii h ALA 247 CO -0.33 -0.36 0.65 0.00 0.00 0.00 0.00 179.25 179.20 1pii h ALA 248 N 1.23 1.38 0.85 0.00 0.00 -0.80 -0.06 119.26 121.86 1pii h ALA 248 Ca 0.14 -0.04 -0.04 0.00 0.00 0.00 0.00 54.91 54.97 1pii h ALA 248 Cb 0.16 -0.33 0.01 0.00 0.00 0.00 0.00 17.79 17.62 1pii h ALA 248 CO -0.19 0.50 -0.41 0.28 0.00 0.00 0.00 179.25 179.42 1pii h VAL 249 N 1.22 0.02 -0.42 0.00 2.07 -0.21 -2.88 116.25 116.06 1pii h VAL 249 Ca 0.41 -0.15 0.12 0.00 0.82 0.00 0.00 66.70 67.90 1pii h VAL 249 Cb 0.08 0.02 -0.02 0.00 -1.52 0.00 0.00 31.29 29.86 1pii h VAL 249 CO -0.15 0.00 0.30 0.03 0.02 0.00 0.00 177.57 177.77 1pii h ARG 250 N -1.30 0.01 -0.70 1.57 3.08 -1.04 -1.01 114.38 114.98 1pii h ARG 250 Ca -0.12 -0.00 -0.05 0.00 0.07 0.00 0.00 59.98 59.88 1pii h ARG 250 Cb 0.88 -0.00 -0.03 0.00 0.08 0.00 0.00 29.97 30.90 1pii h ARG 250 CO 0.19 0.00 0.24 -0.09 -1.07 0.00 0.00 179.97 179.25 1pii h ARG 251 N 0.01 1.08 0.15 0.04 2.43 -0.79 0.20 114.38 117.49 1pii h ARG 251 Ca 0.20 -0.22 -0.32 0.00 -0.81 0.00 0.00 59.98 58.83 1pii h ARG 251 Cb 0.79 -0.16 0.00 0.00 -0.42 0.00 0.00 29.97 30.18 1pii h ARG 251 CO -0.00 0.92 -1.57 0.28 -1.51 0.00 0.00 179.97 178.09 1pii h VAL 252 N 1.02 1.13 0.00 0.20 2.07 -1.20 -2.59 116.25 116.89 1pii h VAL 252 Ca 0.23 -2.73 -0.11 0.00 0.82 0.00 0.00 66.70 64.91 1pii h VAL 252 Cb 0.27 2.80 -0.02 0.00 -1.52 0.00 0.00 31.29 32.83 1pii h VAL 252 CO -0.01 0.83 -0.55 -0.07 0.02 0.00 0.00 177.57 177.79 1pii h LEU 253 N 0.09 0.00 0.00 2.57 4.07 -1.15 -3.28 115.31 117.61 1pii h LEU 253 Ca -0.26 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.70 1pii h LEU 253 Cb 2.05 0.00 0.00 0.00 1.08 0.00 0.00 40.66 43.79 1pii h LEU 253 CO 0.18 0.51 -0.71 0.18 -1.08 0.00 0.00 178.44 177.52 1pii n LEU 254 N -3.21 0.00 0.00 1.67 4.77 0.69 -4.67 117.00 116.25 1pii n LEU 254 Ca 0.02 -0.01 0.00 0.00 -0.03 0.00 0.00 56.01 55.98 1pii n LEU 254 Cb 0.74 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.83 1pii n LEU 254 CO 0.41 0.00 0.00 0.61 -1.33 0.00 0.00 177.39 177.08 1pii n GLY 255 N 1.81 1.49 3.02 -0.72 0.00 -0.97 -4.77 105.19 105.04 1pii n GLY 255 Ca 0.00 -2.04 -0.43 0.00 0.00 0.00 0.00 46.02 43.55 1pii n GLY 255 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1pii n GLU 256 N 1.22 3.43 -3.05 1.61 1.02 -0.57 -4.30 120.64 120.01 1pii n GLU 256 Ca 0.00 -3.45 -0.32 0.00 -0.02 0.00 0.00 57.16 53.37 1pii n GLU 256 Cb 0.00 -3.04 -0.05 0.00 -0.02 0.00 0.00 31.44 28.33 1pii n GLU 256 CO 0.00 0.00 0.00 -0.80 1.18 0.00 0.00 177.13 177.51 1pii s ASN 257 N 1.82 6.70 -0.02 1.62 0.01 -1.26 -4.07 114.94 119.74 1pii s ASN 257 Ca 0.42 1.24 0.04 0.00 -0.71 0.00 0.00 52.86 53.86 1pii s ASN 257 Cb 0.07 -2.36 -0.01 0.00 0.41 0.00 0.00 41.25 39.36 1pii s ASN 257 CO -0.00 -0.27 -0.15 -0.75 -1.51 0.00 0.00 177.10 174.42 1pii s LYS 258 N -3.24 1.34 -0.32 -0.60 2.20 -0.92 -0.19 119.74 118.01 1pii s LYS 258 Ca 0.53 -0.55 -0.02 0.00 -0.36 0.00 0.00 55.97 55.58 1pii s LYS 258 Cb -0.10 -1.26 0.06 0.00 -1.51 0.00 0.00 37.83 35.01 1pii s LYS 258 CO 0.22 0.30 0.04 0.08 -0.36 0.00 0.00 175.35 175.62 1pii s VAL 259 N -0.23 3.09 0.52 4.02 1.01 -0.26 -1.45 120.40 127.09 1pii s VAL 259 Ca 0.03 -1.49 -0.04 0.00 0.00 0.00 0.00 61.98 60.48 1pii s VAL 259 Cb -0.07 -2.84 -0.01 0.00 0.00 0.00 0.00 36.38 33.46 1pii s VAL 259 CO 0.00 -0.22 0.80 0.00 0.00 0.00 0.00 175.10 175.69 1pii n GLY 261 N -2.35 -0.30 3.71 0.00 0.00 -1.07 -4.65 105.19 100.54 1pii n GLY 261 Ca 0.02 0.09 -0.42 0.00 0.00 0.00 0.00 46.02 45.71 1pii n GLY 261 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1pii s LEU 262 N -6.17 4.37 0.00 0.99 1.43 -0.71 -4.55 118.68 114.03 1pii s LEU 262 Ca 0.37 2.07 0.00 0.00 -1.03 0.00 0.00 54.13 55.54 1pii s LEU 262 Cb -0.16 -3.58 0.00 0.00 0.03 0.00 0.00 46.19 42.48 1pii s LEU 262 CO 0.62 -0.51 0.28 0.35 0.23 0.00 0.00 176.35 177.32 1pii n THR 263 N 3.95 0.00 -3.98 5.49 -2.24 -1.26 -4.69 114.28 111.55 1pii n THR 263 Ca 0.09 -0.30 -0.12 0.00 -2.27 0.00 0.00 64.05 61.45 1pii n THR 263 Cb 0.46 1.37 -0.13 0.00 -2.10 0.00 0.00 70.33 69.92 1pii n THR 263 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 1pii s ARG 264 N -0.04 0.23 0.35 -0.78 0.52 -1.26 -4.95 118.95 113.01 1pii s ARG 264 Ca 0.00 -0.27 0.04 0.00 -0.52 0.00 0.00 55.73 54.98 1pii s ARG 264 Cb 0.00 -0.10 0.64 0.00 0.52 0.00 0.00 34.95 36.01 1pii s ARG 264 CO 0.00 0.02 1.92 0.78 0.02 0.00 0.00 175.30 178.04 1pii h GLY 265 N 5.58 0.63 1.27 -3.53 0.00 -1.81 -2.73 103.07 102.48 1pii h GLY 265 Ca -0.28 -0.32 -0.00 0.00 0.00 0.00 0.00 47.33 46.72 1pii h GLY 265 CO 0.47 0.31 0.44 0.06 0.00 0.00 0.00 176.54 177.81 1pii h GLN 266 N 0.57 0.97 -0.35 4.80 3.07 -1.93 0.29 115.11 122.53 1pii h GLN 266 Ca 0.13 -0.08 -0.15 0.00 0.09 0.00 0.00 58.65 58.64 1pii h GLN 266 Cb 0.20 -0.21 -0.00 0.00 0.08 0.00 0.00 27.48 27.55 1pii h GLN 266 CO -0.01 0.68 -0.37 -0.44 0.09 0.00 0.00 178.83 178.78 1pii h ASP 267 N 0.99 0.94 -0.86 0.06 3.32 -1.88 0.29 116.42 119.27 1pii h ASP 267 Ca 0.26 -0.47 -0.01 0.00 0.02 0.00 0.00 57.03 56.82 1pii h ASP 267 Cb -0.05 -0.26 -0.04 0.00 0.22 0.00 0.00 39.33 39.20 1pii h ASP 267 CO -0.05 1.22 0.48 0.00 -1.72 0.00 0.00 179.24 179.17 1pii h ALA 268 N 0.74 1.22 -0.21 3.45 0.00 -1.12 0.57 119.26 123.91 1pii h ALA 268 Ca 0.05 -0.12 -0.02 0.00 0.00 0.00 0.00 54.91 54.82 1pii h ALA 268 Cb 0.96 -0.35 -0.01 0.00 0.00 0.00 0.00 17.79 18.40 1pii h ALA 268 CO 0.09 0.64 0.05 -0.22 0.00 0.00 0.00 179.25 179.81 1pii h LYS 269 N 1.21 0.34 -0.47 0.00 1.63 -0.51 -0.78 116.57 117.99 1pii h LYS 269 Ca 0.31 -0.08 0.09 0.00 -0.85 0.00 0.00 60.65 60.12 1pii h LYS 269 Cb 0.01 -0.05 -0.08 0.00 -0.60 0.00 0.00 32.23 31.52 1pii h LYS 269 CO -0.05 0.46 -0.02 0.00 -3.45 0.00 0.00 179.45 176.39 1pii h ALA 270 N 0.87 0.42 -0.21 5.00 0.00 0.03 0.21 119.26 125.58 1pii h ALA 270 Ca 0.07 0.15 0.01 0.00 0.00 0.00 0.00 54.91 55.13 1pii h ALA 270 Cb 0.27 0.26 -0.02 0.00 0.00 0.00 0.00 17.79 18.30 1pii h ALA 270 CO 0.00 -0.40 0.11 0.00 0.00 0.00 0.00 179.25 178.96 1pii h ALA 271 N 1.43 0.25 -0.47 0.00 0.00 -0.64 -1.43 119.26 118.39 1pii h ALA 271 Ca 0.24 0.00 0.01 0.00 0.00 0.00 0.00 54.91 55.15 1pii h ALA 271 Cb 0.35 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.08 1pii h ALA 271 CO -0.41 -0.30 0.31 -0.92 0.00 0.00 0.00 179.25 177.93 1pii h TYR 272 N 0.23 0.59 -0.29 0.00 3.20 -0.32 -0.98 116.97 119.40 1pii h TYR 272 Ca 0.08 0.01 -0.06 0.00 3.14 0.00 0.00 58.73 61.91 1pii h TYR 272 Cb 0.01 -0.20 -0.02 0.00 1.54 0.00 0.00 36.73 38.07 1pii h TYR 272 CO -0.09 0.37 -0.06 -0.44 -1.64 0.00 0.00 178.16 176.30 1pii h ASP 273 N 0.63 0.45 1.29 -2.11 3.32 -0.37 -1.64 116.42 117.98 1pii h ASP 273 Ca 0.18 -0.10 0.00 0.00 0.02 0.00 0.00 57.03 57.13 1pii h ASP 273 Cb -0.06 -0.12 0.00 0.00 0.22 0.00 0.00 39.33 39.37 1pii h ASP 273 CO -0.04 0.56 0.00 0.00 -1.72 0.00 0.00 179.24 178.04 1pii h ALA 274 N 1.49 1.00 0.00 3.45 0.00 -0.87 -3.47 119.26 120.87 1pii h ALA 274 Ca 0.09 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.00 1pii h ALA 274 Cb 0.39 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.18 1pii h ALA 274 CO 0.02 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.68 1pii n GLY 275 N 0.47 1.01 3.75 0.00 0.00 -0.62 -4.79 105.19 105.01 1pii n GLY 275 Ca 0.02 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.66 1pii n GLY 275 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1pii s ALA 276 N -2.00 2.83 -0.20 4.61 0.00 -0.42 -4.87 121.76 121.71 1pii s ALA 276 Ca 0.00 1.24 -0.19 0.00 0.00 0.00 0.00 51.96 53.01 1pii s ALA 276 Cb 0.00 -3.53 -0.20 0.00 0.00 0.00 0.00 23.12 19.39 1pii s ALA 276 CO 0.00 -1.23 0.21 -0.89 0.00 0.00 0.00 175.76 173.86 1pii n ILE 277 N -0.96 1.58 -4.19 0.00 2.08 0.73 -4.60 119.36 113.99 1pii n ILE 277 Ca 0.10 -0.15 -0.29 0.00 0.56 0.00 0.00 62.75 62.96 1pii n ILE 277 Cb 0.46 -1.98 -0.09 0.00 -0.75 0.00 0.00 39.64 37.28 1pii n ILE 277 CO 0.00 0.00 0.00 -0.31 0.56 0.00 0.00 176.55 176.80 1pii s TYR 278 N -2.40 2.83 -0.09 1.39 2.02 0.41 -2.23 117.35 119.27 1pii s TYR 278 Ca -0.28 -0.11 0.03 0.00 -0.37 0.00 0.00 57.07 56.34 1pii s TYR 278 Cb 0.06 -1.45 0.01 0.00 -0.40 0.00 0.00 41.96 40.18 1pii s TYR 278 CO 0.62 0.46 -0.20 0.20 -1.57 0.00 0.00 175.55 175.06 1pii s GLY 279 N -2.38 1.15 -0.13 0.71 0.00 -0.75 -1.11 107.32 104.82 1pii s GLY 279 Ca 0.24 -0.80 -0.13 0.00 0.00 0.00 0.00 44.72 44.03 1pii s GLY 279 CO 0.16 -0.12 0.29 -0.32 0.00 0.00 0.00 173.10 173.11 1pii s GLY 280 N 0.54 2.25 -0.18 0.20 0.00 -0.20 -0.11 107.32 109.83 1pii s GLY 280 Ca -0.15 -0.44 -0.00 0.00 0.00 0.00 0.00 44.72 44.13 1pii s GLY 280 CO 0.05 0.26 -0.15 1.08 0.00 0.00 0.00 173.10 174.34 1pii s LEU 281 N -0.04 2.38 -0.38 0.66 1.43 0.55 -1.73 118.68 121.55 1pii s LEU 281 Ca 0.18 -0.55 -0.16 0.00 -1.03 0.00 0.00 54.13 52.57 1pii s LEU 281 Cb -0.13 -1.56 0.01 0.00 0.03 0.00 0.00 46.19 44.53 1pii s LEU 281 CO 0.06 0.02 0.36 -0.63 0.23 0.00 0.00 176.35 176.38 1pii s ILE 282 N 1.20 5.17 -0.48 -0.59 1.01 -1.26 -0.32 121.20 125.93 1pii s ILE 282 Ca 0.02 -0.27 0.12 0.00 0.00 0.00 0.00 60.65 60.52 1pii s ILE 282 Cb -0.14 -3.91 0.68 0.00 0.01 0.00 0.00 42.46 39.10 1pii s ILE 282 CO -0.07 -0.24 1.54 0.49 0.00 0.00 0.00 174.94 176.65 1pii n PHE 283 N 5.38 1.68 -3.12 3.97 3.72 -0.01 -1.10 117.46 127.98 1pii n PHE 283 Ca -0.09 -0.59 -0.42 0.00 -0.05 0.00 0.00 57.45 56.30 1pii n PHE 283 Cb 0.48 -0.42 -0.07 0.00 -0.94 0.00 0.00 39.48 38.54 1pii n PHE 283 CO 0.00 0.00 0.00 0.08 -0.05 0.00 0.00 176.76 176.79 1pii s VAL 284 N -2.38 4.89 0.40 -4.37 1.01 -1.23 -4.82 120.40 113.90 1pii s VAL 284 Ca 0.45 0.43 0.26 0.00 0.00 0.00 0.00 61.98 63.12 1pii s VAL 284 Cb 0.34 -4.10 0.41 0.00 0.00 0.00 0.00 36.38 33.03 1pii s VAL 284 CO 0.14 -0.38 1.57 0.00 0.00 0.00 0.00 175.10 176.43 1pii n ALA 285 N 6.07 1.17 0.03 5.51 0.00 -1.26 -0.98 120.51 131.05 1pii n ALA 285 Ca -0.02 0.96 0.01 0.00 0.00 0.00 0.00 53.44 54.39 1pii n ALA 285 Cb 0.48 -1.04 0.33 0.00 0.00 0.00 0.00 19.45 19.23 1pii n ALA 285 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.50 178.65 1pii h THR 286 N 0.00 1.18 -3.68 0.00 2.02 -1.99 -3.46 112.91 106.99 1pii h THR 286 Ca 0.86 -0.74 -0.53 0.00 0.77 0.00 0.00 66.41 66.78 1pii h THR 286 Cb 2.49 0.98 0.07 0.00 -1.74 0.00 0.00 68.15 69.96 1pii h THR 286 CO -0.64 0.25 0.74 -0.55 0.37 0.00 0.00 175.52 175.68 1pii s SER 287 N -6.77 6.59 0.48 4.18 0.15 -0.15 -4.89 113.70 113.29 1pii s SER 287 Ca -0.07 2.80 0.30 0.00 0.70 0.00 0.00 55.95 59.67 1pii s SER 287 Cb 0.16 -2.64 1.03 0.00 -1.71 0.00 0.00 66.02 62.86 1pii s SER 287 CO 0.75 -0.71 1.85 1.55 1.20 0.00 0.00 173.24 177.89 1pii h PRO 288 N 3.98 0.00 -0.56 5.44 0.13 -1.88 -2.29 132.00 136.82 1pii h PRO 288 Ca -0.48 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.65 1pii h PRO 288 Cb 1.23 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.36 1pii h PRO 288 CO 0.71 0.00 0.00 0.54 -0.23 0.00 0.00 178.00 179.02 1pii n ARG 289 N -2.99 2.31 -2.01 0.86 1.74 -1.26 -4.82 116.66 110.49 1pii n ARG 289 Ca 0.02 -2.04 -0.37 0.00 -0.77 0.00 0.00 57.85 54.69 1pii n ARG 289 Cb 0.37 -1.44 0.02 0.00 -1.02 0.00 0.00 32.46 30.39 1pii n ARG 289 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1pii s VAL 291 N -1.49 1.45 0.54 0.00 -7.23 -0.25 -4.99 120.40 108.43 1pii s VAL 291 Ca 0.72 -2.12 0.04 0.00 -1.81 0.00 0.00 61.98 58.81 1pii s VAL 291 Cb -0.33 -2.14 0.03 0.00 0.56 0.00 0.00 36.38 34.50 1pii s VAL 291 CO 0.38 -0.52 0.32 0.54 -0.31 0.00 0.00 175.10 175.51 1pii s ASN 292 N -3.30 4.52 0.23 4.85 2.20 -1.26 -4.65 114.94 117.53 1pii s ASN 292 Ca 0.24 -1.35 -0.07 0.00 -0.94 0.00 0.00 52.86 50.74 1pii s ASN 292 Cb 0.02 0.48 0.20 0.00 -2.00 0.00 0.00 41.25 39.95 1pii s ASN 292 CO 0.07 -1.07 1.86 0.58 -2.94 0.00 0.00 177.10 175.59 1pii h VAL 293 N 0.86 1.25 -0.00 3.54 2.07 -2.01 -0.14 116.25 121.81 1pii h VAL 293 Ca -0.38 -0.62 -0.00 0.00 0.82 0.00 0.00 66.70 66.52 1pii h VAL 293 Cb 1.31 0.05 -0.00 0.00 -1.52 0.00 0.00 31.29 31.13 1pii h VAL 293 CO 0.60 0.28 0.00 -0.33 0.02 0.00 0.00 177.57 178.15 1pii h GLU 294 N 1.23 0.00 -0.85 1.57 5.08 -1.99 -0.52 114.58 119.11 1pii h GLU 294 Ca 0.31 -0.00 0.06 0.00 -1.00 0.00 0.00 59.36 58.73 1pii h GLU 294 Cb 0.01 -0.00 -0.05 0.00 0.50 0.00 0.00 28.75 29.21 1pii h GLU 294 CO -0.05 0.29 0.55 0.37 -1.00 0.00 0.00 179.01 179.17 1pii h GLN 295 N -0.28 0.94 -0.42 2.33 5.75 -1.93 -1.53 115.11 119.96 1pii h GLN 295 Ca 0.00 -0.06 -0.05 0.00 -0.15 0.00 0.00 58.65 58.39 1pii h GLN 295 Cb 0.29 -0.21 -0.02 0.00 1.07 0.00 0.00 27.48 28.61 1pii h GLN 295 CO 0.00 0.62 0.06 0.00 -2.65 0.00 0.00 178.83 176.86 1pii h ALA 296 N 1.53 0.56 -0.46 3.38 0.00 -0.82 -1.98 119.26 121.49 1pii h ALA 296 Ca 0.36 -0.22 0.10 0.00 0.00 0.00 0.00 54.91 55.14 1pii h ALA 296 Cb 0.18 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.78 1pii h ALA 296 CO -0.13 0.29 0.32 0.37 0.00 0.00 0.00 179.25 180.10 1pii h GLN 297 N 0.56 0.19 -0.10 0.00 4.15 -0.12 0.36 115.11 120.14 1pii h GLN 297 Ca 0.13 -0.01 -0.18 0.00 0.77 0.00 0.00 58.65 59.36 1pii h GLN 297 Cb 0.39 -0.04 0.01 0.00 0.21 0.00 0.00 27.48 28.04 1pii h GLN 297 CO 0.01 0.13 -0.63 1.49 -1.93 0.00 0.00 178.83 177.90 1pii h GLU 298 N 0.19 0.61 -0.36 1.69 4.81 -0.66 -2.70 114.58 118.16 1pii h GLU 298 Ca 0.21 -0.51 -0.10 0.00 -0.13 0.00 0.00 59.36 58.82 1pii h GLU 298 Cb 0.59 0.11 -0.01 0.00 0.63 0.00 0.00 28.75 30.07 1pii h GLU 298 CO -0.04 1.14 -0.18 0.28 -0.73 0.00 0.00 179.01 179.48 1pii h VAL 299 N 0.24 1.29 0.00 0.32 2.07 -0.77 -2.96 116.25 116.44 1pii h VAL 299 Ca -0.05 -1.31 -0.05 0.00 0.82 0.00 0.00 66.70 66.11 1pii h VAL 299 Cb 1.27 1.37 -0.01 0.00 -1.52 0.00 0.00 31.29 32.40 1pii h VAL 299 CO 0.13 0.43 -0.23 0.24 0.02 0.00 0.00 177.57 178.16 1pii h MET 300 N 0.54 0.00 0.00 1.57 2.86 -0.93 -2.27 114.93 116.70 1pii h MET 300 Ca 0.08 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.72 1pii h MET 300 Cb 0.73 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.39 1pii h MET 300 CO 0.05 0.23 0.00 0.00 1.06 0.00 0.00 176.91 178.25 1pii n ALA 301 N -2.48 2.15 0.25 6.32 0.00 -1.02 -3.17 120.51 122.56 1pii n ALA 301 Ca -0.02 -0.01 0.15 0.00 0.00 0.00 0.00 53.44 53.56 1pii n ALA 301 Cb 0.29 -1.45 0.49 0.00 0.00 0.00 0.00 19.45 18.78 1pii n ALA 301 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1pii h ALA 302 N 2.52 1.00 -2.04 0.00 0.00 -1.47 -3.46 119.26 115.81 1pii h ALA 302 Ca 0.00 -0.01 -0.06 0.00 0.00 0.00 0.00 54.91 54.84 1pii h ALA 302 Cb 0.63 -0.00 -0.20 0.00 0.00 0.00 0.00 17.79 18.22 1pii h ALA 302 CO 0.00 0.02 0.14 0.00 0.00 0.00 0.00 179.25 179.41 1pii s ALA 303 N -3.50 -1.72 0.00 0.00 0.00 -1.19 -4.58 121.76 110.77 1pii s ALA 303 Ca 0.03 1.54 -0.05 0.00 0.00 0.00 0.00 51.96 53.48 1pii s ALA 303 Cb 0.08 -0.44 -0.20 0.00 0.00 0.00 0.00 23.12 22.55 1pii s ALA 303 CO 0.59 -0.35 3.10 -0.35 0.00 0.00 0.00 175.76 178.76 1pii n PRO 304 N 1.61 1.68 -1.84 0.00 -0.04 -1.26 -4.89 135.00 130.25 1pii n PRO 304 Ca -0.17 -0.76 -0.30 0.00 -0.04 0.00 0.00 63.50 62.23 1pii n PRO 304 Cb 0.56 -1.80 0.19 0.00 -0.04 0.00 0.00 33.50 32.42 1pii n PRO 304 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1pii s LEU 305 N 0.00 2.49 -0.38 1.53 1.43 -1.26 -5.00 118.68 117.50 1pii s LEU 305 Ca 0.51 0.31 -0.13 0.00 -1.03 0.00 0.00 54.13 53.78 1pii s LEU 305 Cb 0.24 -2.32 0.01 0.00 0.03 0.00 0.00 46.19 44.16 1pii s LEU 305 CO 0.00 -2.89 0.25 -1.10 0.23 0.00 0.00 176.35 172.84 1pii s GLN 306 N -5.84 3.10 0.13 1.70 -0.21 -0.95 -4.92 119.66 112.67 1pii s GLN 306 Ca 0.74 -0.91 -0.22 0.00 0.02 0.00 0.00 55.36 54.99 1pii s GLN 306 Cb -0.04 -3.84 -0.07 0.00 1.00 0.00 0.00 33.01 30.05 1pii s GLN 306 CO 0.53 -0.63 0.67 0.71 -2.12 0.00 0.00 175.29 174.45 1pii s TYR 307 N 1.66 3.83 -0.15 0.91 2.02 -1.26 -1.81 117.35 122.55 1pii s TYR 307 Ca 0.05 1.44 0.00 0.00 -0.37 0.00 0.00 57.07 58.18 1pii s TYR 307 Cb -0.18 -2.62 -0.01 0.00 -0.40 0.00 0.00 41.96 38.75 1pii s TYR 307 CO 0.09 0.53 -0.15 0.08 -1.57 0.00 0.00 175.55 174.54 1pii s VAL 308 N -1.17 2.77 -0.11 0.71 1.01 0.85 -0.68 120.40 123.77 1pii s VAL 308 Ca 0.33 -0.74 -0.14 0.00 0.00 0.00 0.00 61.98 61.43 1pii s VAL 308 Cb -0.21 -2.16 -0.05 0.00 0.00 0.00 0.00 36.38 33.96 1pii s VAL 308 CO 0.22 0.52 0.34 -0.83 0.00 0.00 0.00 175.10 175.35 1pii s GLY 309 N 0.69 2.31 -0.22 4.51 0.00 0.04 -0.33 107.32 114.32 1pii s GLY 309 Ca -0.07 -0.36 -0.06 0.00 0.00 0.00 0.00 44.72 44.23 1pii s GLY 309 CO 0.02 0.35 0.03 0.14 0.00 0.00 0.00 173.10 173.64 1pii s VAL 310 N -0.04 4.11 0.16 1.40 1.01 0.56 0.38 120.40 127.99 1pii s VAL 310 Ca 0.20 -0.25 0.07 0.00 0.00 0.00 0.00 61.98 62.00 1pii s VAL 310 Cb -0.14 -2.88 -0.04 0.00 0.00 0.00 0.00 36.38 33.31 1pii s VAL 310 CO 0.07 0.40 -0.15 -0.36 0.00 0.00 0.00 175.10 175.06 1pii s PHE 311 N 1.23 1.61 -0.27 5.22 0.40 -0.44 -0.83 117.98 124.90 1pii s PHE 311 Ca 0.04 -0.55 -0.01 0.00 -0.60 0.00 0.00 56.93 55.81 1pii s PHE 311 Cb -0.15 -0.80 0.08 0.00 0.51 0.00 0.00 43.02 42.67 1pii s PHE 311 CO 0.02 0.26 0.06 0.50 0.70 0.00 0.00 175.22 176.76 1pii s ARG 312 N -3.10 0.85 -1.54 0.44 3.52 -1.26 0.66 118.95 118.51 1pii s ARG 312 Ca 0.16 -0.91 -0.08 0.00 -0.13 0.00 0.00 55.73 54.76 1pii s ARG 312 Cb -0.03 -2.14 0.07 0.00 -1.56 0.00 0.00 34.95 31.29 1pii s ARG 312 CO 0.05 -0.84 0.56 0.09 -0.81 0.00 0.00 175.30 174.35 1pii n ASN 313 N 4.86 -1.59 -4.89 -2.12 3.02 -1.26 -4.87 115.26 108.41 1pii n ASN 313 Ca -0.05 -1.02 -0.30 0.00 -0.03 0.00 0.00 54.58 53.18 1pii n ASN 313 Cb 0.44 -2.86 -0.03 0.00 -0.61 0.00 0.00 39.78 36.71 1pii n ASN 313 CO 0.00 0.00 0.00 -2.28 -2.62 0.00 0.00 177.26 172.36 1pii s HIS 314 N -3.69 3.47 0.15 3.10 2.46 -1.26 -5.01 115.29 114.51 1pii s HIS 314 Ca 0.33 0.89 -0.33 0.00 0.47 0.00 0.00 55.06 56.42 1pii s HIS 314 Cb -0.18 -2.31 -0.12 0.00 -0.13 0.00 0.00 32.58 29.84 1pii s HIS 314 CO 0.91 0.01 1.71 -3.47 -2.47 0.00 0.00 174.74 171.43 1pii n ASP 315 N -1.12 3.65 -0.13 9.88 -0.08 -1.26 -4.85 116.55 122.64 1pii n ASP 315 Ca 0.01 1.05 -0.04 0.00 -1.51 0.00 0.00 54.79 54.29 1pii n ASP 315 Cb 0.54 -1.50 0.02 0.00 2.34 0.00 0.00 41.12 42.52 1pii n ASP 315 CO 0.00 0.00 0.00 0.40 0.12 0.00 0.00 177.20 177.72 1pii h ILE 316 N 4.04 0.45 -0.55 5.18 2.04 -1.99 -0.92 117.51 125.77 1pii h ILE 316 Ca -0.45 0.00 0.11 0.00 1.00 0.00 0.00 64.86 65.52 1pii h ILE 316 Cb 1.23 0.45 -0.11 0.00 -0.74 0.00 0.00 36.82 37.66 1pii h ILE 316 CO 0.93 0.00 -0.15 0.00 0.00 0.00 0.00 178.15 178.93 1pii h ALA 317 N 1.29 0.33 -0.61 1.87 0.00 -1.99 0.88 119.26 121.03 1pii h ALA 317 Ca 0.21 0.21 -0.02 0.00 0.00 0.00 0.00 54.91 55.31 1pii h ALA 317 Cb 0.40 0.45 -0.03 0.00 0.00 0.00 0.00 17.79 18.61 1pii h ALA 317 CO -0.49 -0.45 0.30 0.22 0.00 0.00 0.00 179.25 178.82 1pii h ASP 318 N -0.02 0.79 -0.49 0.00 3.58 -1.81 0.41 116.42 118.87 1pii h ASP 318 Ca 0.26 -0.13 0.02 0.00 0.42 0.00 0.00 57.03 57.60 1pii h ASP 318 Cb 0.42 -0.20 -0.03 0.00 1.72 0.00 0.00 39.33 41.24 1pii h ASP 318 CO -0.58 0.69 0.31 0.58 -2.88 0.00 0.00 179.24 177.36 1pii h VAL 319 N 0.83 1.08 -0.51 2.25 2.07 -0.04 -1.02 116.25 120.90 1pii h VAL 319 Ca 0.21 -0.21 -0.06 0.00 0.82 0.00 0.00 66.70 67.46 1pii h VAL 319 Cb 0.11 0.41 -0.02 0.00 -1.52 0.00 0.00 31.29 30.26 1pii h VAL 319 CO -0.03 0.11 0.09 0.58 0.02 0.00 0.00 177.57 178.35 1pii h VAL 320 N 0.62 1.25 -0.18 2.57 2.07 -0.32 -1.66 116.25 120.60 1pii h VAL 320 Ca 0.19 -0.92 0.04 0.00 0.82 0.00 0.00 66.70 66.83 1pii h VAL 320 Cb -0.02 0.86 -0.04 0.00 -1.52 0.00 0.00 31.29 30.58 1pii h VAL 320 CO -0.07 0.33 -0.06 -0.78 0.02 0.00 0.00 177.57 177.01 1pii h ASP 321 N 0.72 -0.21 -0.67 0.57 3.58 -0.48 -0.40 116.42 119.54 1pii h ASP 321 Ca 0.16 0.06 -0.02 0.00 0.42 0.00 0.00 57.03 57.64 1pii h ASP 321 Cb 0.39 0.13 -0.03 0.00 1.72 0.00 0.00 39.33 41.53 1pii h ASP 321 CO 0.01 -0.08 0.34 0.11 -2.88 0.00 0.00 179.24 176.74 1pii h LYS 322 N -0.02 0.97 -0.16 0.28 1.57 -1.11 0.19 116.57 118.28 1pii h LYS 322 Ca 0.09 -0.12 0.00 0.00 -1.87 0.00 0.00 60.65 58.75 1pii h LYS 322 Cb 0.16 -0.19 -0.01 0.00 0.08 0.00 0.00 32.23 32.28 1pii h LYS 322 CO -0.19 0.74 0.10 0.00 -0.57 0.00 0.00 179.45 179.53 1pii h ALA 323 N 1.41 0.20 0.07 3.86 0.00 -0.29 0.54 119.26 125.06 1pii h ALA 323 Ca 0.24 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 55.13 1pii h ALA 323 Cb 0.08 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.80 1pii h ALA 323 CO -0.03 -0.31 -0.04 0.87 0.00 0.00 0.00 179.25 179.74 1pii h LYS 324 N 0.21 -0.09 -0.09 0.00 1.57 -0.39 0.03 116.57 117.80 1pii h LYS 324 Ca 0.06 0.01 -0.00 0.00 -1.87 0.00 0.00 60.65 58.84 1pii h LYS 324 Cb -0.02 0.02 -0.00 0.00 0.08 0.00 0.00 32.23 32.31 1pii h LYS 324 CO -0.01 0.17 0.04 0.28 -0.57 0.00 0.00 179.45 179.35 1pii h VAL 325 N -0.35 1.13 0.00 0.50 2.07 -0.65 -2.97 116.25 115.98 1pii h VAL 325 Ca -0.01 -0.38 0.00 0.00 0.82 0.00 0.00 66.70 67.13 1pii h VAL 325 Cb 0.31 1.22 0.00 0.00 -1.52 0.00 0.00 31.29 31.30 1pii h VAL 325 CO 0.02 0.11 -0.04 0.18 0.02 0.00 0.00 177.57 177.86 1pii n LEU 326 N -4.95 0.14 -3.44 2.57 4.77 0.18 -4.93 117.00 111.35 1pii n LEU 326 Ca -0.06 0.48 -0.21 0.00 -0.03 0.00 0.00 56.01 56.19 1pii n LEU 326 Cb 0.10 -0.46 0.08 0.00 -2.33 0.00 0.00 43.42 40.81 1pii n LEU 326 CO 0.34 -0.02 0.19 -0.24 -1.33 0.00 0.00 177.39 176.33 1pii n SER 327 N -1.61 -4.61 -4.76 -1.43 2.88 -0.03 -4.95 113.62 99.11 1pii n SER 327 Ca 0.07 -0.55 -0.39 0.00 -1.33 0.00 0.00 58.87 56.67 1pii n SER 327 Cb 0.35 -4.92 0.02 0.00 -0.75 0.00 0.00 64.21 58.92 1pii n SER 327 CO 0.00 0.00 0.00 -0.76 -1.23 0.00 0.00 175.04 173.05 1pii s LEU 328 N -6.75 3.97 0.09 2.46 1.43 -1.02 -4.83 118.68 114.03 1pii s LEU 328 Ca 0.35 2.71 0.12 0.00 -1.03 0.00 0.00 54.13 56.28 1pii s LEU 328 Cb -0.15 -4.16 -0.14 0.00 0.03 0.00 0.00 46.19 41.76 1pii s LEU 328 CO 0.70 -1.32 1.05 0.00 0.23 0.00 0.00 176.35 177.01 1pii h ALA 329 N 1.85 0.60 -2.84 4.21 0.00 -1.24 -3.44 119.26 118.39 1pii h ALA 329 Ca -0.50 -0.96 -0.03 0.00 0.00 0.00 0.00 54.91 53.42 1pii h ALA 329 Cb 1.28 0.13 -0.11 0.00 0.00 0.00 0.00 17.79 19.08 1pii h ALA 329 CO 0.59 1.14 0.01 0.00 0.00 0.00 0.00 179.25 180.99 1pii s ALA 330 N -2.78 -1.00 -0.07 0.00 0.00 -1.12 -1.11 121.76 115.68 1pii s ALA 330 Ca -0.01 -0.08 0.04 0.00 0.00 0.00 0.00 51.96 51.92 1pii s ALA 330 Cb 0.09 0.80 -0.00 0.00 0.00 0.00 0.00 23.12 24.00 1pii s ALA 330 CO 0.80 -0.74 -0.21 0.14 0.00 0.00 0.00 175.76 175.76 1pii s VAL 331 N -3.83 1.78 -0.24 0.00 -7.23 -0.64 -0.78 120.40 109.46 1pii s VAL 331 Ca 0.06 -0.88 -0.04 0.00 -1.81 0.00 0.00 61.98 59.30 1pii s VAL 331 Cb 0.00 -1.54 -0.00 0.00 0.56 0.00 0.00 36.38 35.40 1pii s VAL 331 CO -0.08 0.50 -0.01 -1.58 -0.31 0.00 0.00 175.10 173.62 1pii s GLN 332 N 0.22 3.28 -0.50 4.82 0.74 0.16 -0.47 119.66 127.91 1pii s GLN 332 Ca -0.12 -0.70 -0.23 0.00 0.05 0.00 0.00 55.36 54.36 1pii s GLN 332 Cb -0.15 -3.11 0.04 0.00 1.10 0.00 0.00 33.01 30.88 1pii s GLN 332 CO 0.06 -0.27 0.85 -0.51 -0.55 0.00 0.00 175.29 174.86 1pii s LEU 333 N 1.48 4.25 -0.14 3.68 1.02 0.16 -1.33 118.68 127.79 1pii s LEU 333 Ca 0.04 -0.29 0.15 0.00 0.02 0.00 0.00 54.13 54.06 1pii s LEU 333 Cb -0.15 -2.86 0.57 0.00 0.02 0.00 0.00 46.19 43.76 1pii s LEU 333 CO -0.02 -1.06 1.48 1.57 0.02 0.00 0.00 176.35 178.34 1pii n HIS 334 N 7.03 1.12 0.00 0.29 -0.00 0.21 -1.38 115.22 122.48 1pii n HIS 334 Ca 0.01 -0.74 0.00 0.00 0.46 0.00 0.00 57.72 57.45 1pii n HIS 334 Cb 0.48 -0.28 0.00 0.00 -0.12 0.00 0.00 29.99 30.07 1pii n HIS 334 CO 0.00 0.00 0.00 0.41 0.46 0.00 0.00 176.34 177.21 1pii n GLY 335 N 0.13 1.41 1.06 1.57 0.00 -1.25 -4.84 105.19 103.27 1pii n GLY 335 Ca 0.21 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 46.20 1pii n GLY 335 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1pii n ASN 336 N 0.00 2.72 -4.69 1.61 6.94 -1.26 -4.94 115.26 115.64 1pii n ASN 336 Ca 0.00 -3.85 -0.54 0.00 -0.02 0.00 0.00 54.58 50.16 1pii n ASN 336 Cb 0.00 -0.51 -0.06 0.00 -2.36 0.00 0.00 39.78 36.85 1pii n ASN 336 CO 0.00 0.00 0.00 -0.62 -1.03 0.00 0.00 177.26 175.61 1pii n GLU 337 N -1.02 1.42 -3.07 -3.83 4.71 -1.26 -4.96 120.64 112.63 1pii n GLU 337 Ca 0.28 0.52 -0.19 0.00 -0.01 0.00 0.00 57.16 57.76 1pii n GLU 337 Cb 0.81 -2.24 0.04 0.00 -1.01 0.00 0.00 31.44 29.04 1pii n GLU 337 CO 0.00 0.00 0.00 -1.21 0.09 0.00 0.00 177.13 176.01 1pii s GLU 338 N 3.09 2.45 0.26 3.49 2.02 -1.26 -4.92 118.70 123.84 1pii s GLU 338 Ca 0.94 -1.54 -0.02 0.00 0.02 0.00 0.00 54.97 54.37 1pii s GLU 338 Cb -0.95 -2.65 0.47 0.00 0.10 0.00 0.00 34.13 31.09 1pii s GLU 338 CO 0.59 -0.67 1.81 0.37 0.02 0.00 0.00 175.26 177.37 1pii h GLN 339 N 0.35 0.81 -0.78 1.61 5.75 -1.97 -2.23 115.11 118.64 1pii h GLN 339 Ca -0.33 -0.05 0.05 0.00 -0.15 0.00 0.00 58.65 58.17 1pii h GLN 339 Cb 1.29 -0.18 -0.05 0.00 1.07 0.00 0.00 27.48 29.60 1pii h GLN 339 CO 0.43 0.54 0.48 1.25 -2.65 0.00 0.00 178.83 178.87 1pii h LEU 340 N 0.83 0.76 -0.33 -2.39 6.46 -1.99 0.26 115.31 118.91 1pii h LEU 340 Ca 0.44 0.01 -0.02 0.00 -0.12 0.00 0.00 57.88 58.19 1pii h LEU 340 Cb 0.45 -0.15 -0.01 0.00 -0.73 0.00 0.00 40.66 40.22 1pii h LEU 340 CO -0.27 0.50 0.13 0.22 -0.62 0.00 0.00 178.44 178.40 1pii h TYR 341 N 0.90 0.50 -0.70 1.25 5.03 -1.81 -1.13 116.97 121.01 1pii h TYR 341 Ca 0.33 -0.04 0.03 0.00 2.58 0.00 0.00 58.73 61.64 1pii h TYR 341 Cb 0.12 -0.15 -0.05 0.00 1.55 0.00 0.00 36.73 38.20 1pii h TYR 341 CO -0.04 0.48 0.44 0.82 -1.32 0.00 0.00 178.16 178.53 1pii h ILE 342 N 0.39 1.08 -0.74 1.81 2.04 -0.78 0.28 117.51 121.59 1pii h ILE 342 Ca 0.11 -0.29 -0.02 0.00 1.00 0.00 0.00 64.86 65.66 1pii h ILE 342 Cb 0.18 0.16 -0.03 0.00 -0.74 0.00 0.00 36.82 36.39 1pii h ILE 342 CO -0.01 0.15 0.37 0.44 0.00 0.00 0.00 178.15 179.11 1pii h ASP 343 N 0.85 0.96 -0.19 1.72 3.32 -0.17 0.54 116.42 123.45 1pii h ASP 343 Ca 0.29 -0.12 -0.19 0.00 0.02 0.00 0.00 57.03 57.02 1pii h ASP 343 Cb 0.04 -0.25 0.00 0.00 0.22 0.00 0.00 39.33 39.34 1pii h ASP 343 CO -0.12 0.81 -0.62 0.74 -1.72 0.00 0.00 179.24 178.34 1pii h THR 344 N 1.04 1.28 -0.29 0.35 2.02 -0.20 0.19 112.91 117.31 1pii h THR 344 Ca 0.26 -1.82 -0.00 0.00 0.77 0.00 0.00 66.41 65.61 1pii h THR 344 Cb 0.09 1.76 -0.01 0.00 -1.74 0.00 0.00 68.15 68.24 1pii h THR 344 CO -0.04 0.58 0.16 0.25 0.37 0.00 0.00 175.52 176.85 1pii h LEU 345 N 0.59 0.36 -0.38 2.58 5.85 -0.24 0.19 115.31 124.26 1pii h LEU 345 Ca -0.01 -0.08 0.03 0.00 0.84 0.00 0.00 57.88 58.66 1pii h LEU 345 Cb 1.22 -0.09 -0.03 0.00 0.37 0.00 0.00 40.66 42.13 1pii h LEU 345 CO 0.13 0.33 0.20 -0.09 -0.34 0.00 0.00 178.44 178.67 1pii h ARG 346 N 0.35 0.39 -0.98 1.25 9.65 0.37 0.12 114.38 125.52 1pii h ARG 346 Ca 0.10 -0.02 0.11 0.00 -1.10 0.00 0.00 59.98 59.07 1pii h ARG 346 Cb 0.05 -0.09 -0.08 0.00 -1.39 0.00 0.00 29.97 28.46 1pii h ARG 346 CO -0.02 0.26 0.61 0.93 2.80 0.00 0.00 179.97 184.55 1pii h GLU 347 N 0.40 0.96 0.00 0.20 5.08 -0.18 -3.11 114.58 117.92 1pii h GLU 347 Ca 0.16 -0.06 -0.13 0.00 -1.00 0.00 0.00 59.36 58.33 1pii h GLU 347 Cb 0.06 -0.22 -0.02 0.00 0.50 0.00 0.00 28.75 29.07 1pii h GLU 347 CO -0.11 0.64 -0.97 0.00 -1.00 0.00 0.00 179.01 177.57 1pii h ALA 348 N 1.52 0.65 -2.48 3.43 0.00 0.10 -3.46 119.26 119.02 1pii h ALA 348 Ca 0.48 -0.64 -0.49 0.00 0.00 0.00 0.00 54.91 54.26 1pii h ALA 348 Cb 0.44 0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.30 1pii h ALA 348 CO -0.26 0.76 0.24 -1.17 0.00 0.00 0.00 179.25 178.83 1pii s LEU 349 N -6.10 4.34 0.32 0.00 2.96 0.24 -5.01 118.68 115.42 1pii s LEU 349 Ca 0.00 1.65 -0.29 0.00 -0.22 0.00 0.00 54.13 55.28 1pii s LEU 349 Cb 0.08 -3.83 -0.12 0.00 0.50 0.00 0.00 46.19 42.82 1pii s LEU 349 CO 0.78 -0.03 1.41 -2.65 -1.32 0.00 0.00 176.35 174.55 1pii n PRO 350 N 0.62 2.33 0.05 0.98 -0.02 -1.26 -4.84 135.00 132.85 1pii n PRO 350 Ca 0.00 0.82 0.21 0.00 -2.02 0.00 0.00 63.50 62.51 1pii n PRO 350 Cb 0.51 -2.49 0.74 0.00 -0.02 0.00 0.00 33.50 32.23 1pii n PRO 350 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1pii h ALA 351 N 3.43 2.25 0.00 3.55 0.00 -1.95 -2.02 119.26 124.51 1pii h ALA 351 Ca -0.47 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.42 1pii h ALA 351 Cb 1.26 0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.09 1pii h ALA 351 CO 0.69 -0.70 0.00 1.12 0.00 0.00 0.00 179.25 180.36 1pii h HIS 352 N 0.00 0.00 -3.18 0.00 2.07 -1.97 -3.43 115.15 108.65 1pii h HIS 352 Ca 0.23 0.00 -0.58 0.00 -2.85 0.00 0.00 60.37 57.17 1pii h HIS 352 Cb 1.13 0.00 -0.06 0.00 2.57 0.00 0.00 27.41 31.05 1pii h HIS 352 CO 0.00 0.00 0.65 0.08 -3.07 0.00 0.00 177.93 175.59 1pii s VAL 353 N -3.57 4.75 0.68 6.12 1.01 -0.76 -4.88 120.40 123.75 1pii s VAL 353 Ca 0.02 1.94 -0.11 0.00 0.00 0.00 0.00 61.98 63.84 1pii s VAL 353 Cb 0.08 -4.27 -0.00 0.00 0.00 0.00 0.00 36.38 32.19 1pii s VAL 353 CO 0.55 -0.09 1.06 0.00 0.00 0.00 0.00 175.10 176.62 1pii s ALA 354 N 2.71 2.88 -0.16 5.51 0.00 -0.27 -4.91 121.76 127.52 1pii s ALA 354 Ca 0.44 -0.15 0.00 0.00 0.00 0.00 0.00 51.96 52.25 1pii s ALA 354 Cb -0.16 -3.08 0.00 0.00 0.00 0.00 0.00 23.12 19.88 1pii s ALA 354 CO 0.10 -1.03 -0.16 0.42 0.00 0.00 0.00 175.76 175.10 1pii s ILE 355 N -3.21 2.59 0.10 0.00 1.01 -1.26 -1.62 121.20 118.81 1pii s ILE 355 Ca 0.57 -0.79 0.08 0.00 0.00 0.00 0.00 60.65 60.50 1pii s ILE 355 Cb -0.12 -2.09 -0.04 0.00 0.01 0.00 0.00 42.46 40.22 1pii s ILE 355 CO 0.54 0.52 -0.14 0.26 0.00 0.00 0.00 174.94 176.11 1pii s TRP 356 N 0.85 2.64 -0.13 3.97 0.52 0.38 -1.17 118.94 126.01 1pii s TRP 356 Ca -0.05 -0.21 0.03 0.00 0.02 0.00 0.00 56.10 55.89 1pii s TRP 356 Cb -0.15 -1.41 0.01 0.00 -1.15 0.00 0.00 33.47 30.77 1pii s TRP 356 CO -0.01 0.39 -0.21 0.21 0.02 0.00 0.00 176.95 177.34 1pii s LYS 357 N -2.06 2.94 0.07 4.98 2.47 -0.71 -0.66 119.74 126.77 1pii s LYS 357 Ca 0.19 -0.83 -0.12 0.00 -1.56 0.00 0.00 55.97 53.65 1pii s LYS 357 Cb -0.11 -2.37 -0.06 0.00 -1.46 0.00 0.00 37.83 33.84 1pii s LYS 357 CO 0.11 -0.00 0.44 0.00 0.16 0.00 0.00 175.35 176.05 1pii s ALA 358 N 0.79 3.68 -0.02 3.13 0.00 -0.48 -0.85 121.76 128.02 1pii s ALA 358 Ca -0.08 -0.27 -0.04 0.00 0.00 0.00 0.00 51.96 51.57 1pii s ALA 358 Cb -0.16 -2.36 0.00 0.00 0.00 0.00 0.00 23.12 20.60 1pii s ALA 358 CO -0.01 0.52 0.08 -0.51 0.00 0.00 0.00 175.76 175.84 1pii s LEU 359 N -1.68 1.72 -0.13 0.00 1.43 0.51 -4.81 118.68 115.72 1pii s LEU 359 Ca 0.31 -0.02 -0.09 0.00 -1.03 0.00 0.00 54.13 53.30 1pii s LEU 359 Cb -0.15 0.37 -0.04 0.00 0.03 0.00 0.00 46.19 46.40 1pii s LEU 359 CO 0.17 -0.16 0.19 -0.94 0.23 0.00 0.00 176.35 175.84 1pii s SER 360 N -0.55 6.41 -0.26 2.29 1.04 -1.26 -1.53 113.70 119.84 1pii s SER 360 Ca -0.06 0.48 -0.07 0.00 0.48 0.00 0.00 55.95 56.78 1pii s SER 360 Cb -0.04 -2.11 -0.02 0.00 0.10 0.00 0.00 66.02 63.95 1pii s SER 360 CO 0.00 0.32 0.08 -0.69 0.98 0.00 0.00 173.24 173.92 1pii s VAL 361 N -0.57 4.29 0.00 5.02 1.01 -0.20 -4.38 120.40 125.56 1pii s VAL 361 Ca 0.15 -0.24 0.00 0.00 0.00 0.00 0.00 61.98 61.89 1pii s VAL 361 Cb -0.12 -3.04 0.00 0.00 0.00 0.00 0.00 36.38 33.22 1pii s VAL 361 CO 0.04 0.30 0.00 0.61 0.00 0.00 0.00 175.10 176.05 1pii n GLY 362 N 4.92 0.52 0.11 4.51 0.00 -1.26 -4.71 105.19 109.29 1pii n GLY 362 Ca -0.16 0.00 0.13 0.00 0.00 0.00 0.00 46.02 45.99 1pii n GLY 362 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 1pii h GLU 363 N 0.00 0.00 -5.46 1.61 4.81 -2.02 -3.45 114.58 110.08 1pii h GLU 363 Ca 0.00 0.00 -0.42 0.00 -0.13 0.00 0.00 59.36 58.81 1pii h GLU 363 Cb 0.00 0.00 -0.16 0.00 0.63 0.00 0.00 28.75 29.22 1pii h GLU 363 CO 0.00 0.00 -0.74 -0.08 -0.73 0.00 0.00 179.01 177.46 1pii s THR 364 N -3.14 1.49 -0.13 0.32 -1.32 -1.26 -5.07 115.64 106.52 1pii s THR 364 Ca 0.08 -1.97 -0.16 0.00 -1.21 0.00 0.00 61.69 58.44 1pii s THR 364 Cb 0.12 -1.80 -0.05 0.00 -1.51 0.00 0.00 72.50 69.26 1pii s THR 364 CO 0.65 -0.53 0.38 -0.76 -2.21 0.00 0.00 174.62 172.15 1pii s LEU 365 N -2.90 4.28 0.82 9.08 1.43 -1.26 -4.69 118.68 125.43 1pii s LEU 365 Ca 0.16 0.68 -0.11 0.00 -1.03 0.00 0.00 54.13 53.83 1pii s LEU 365 Cb -0.02 -2.53 0.08 0.00 0.03 0.00 0.00 46.19 43.75 1pii s LEU 365 CO 0.04 0.08 1.09 -2.16 0.23 0.00 0.00 176.35 175.63 1pii s PRO 366 N 0.37 1.92 0.55 1.29 0.04 -1.26 -5.00 135.00 132.90 1pii s PRO 366 Ca 0.21 0.94 -0.13 0.00 0.04 0.00 0.00 61.00 62.06 1pii s PRO 366 Cb -0.14 -1.88 -0.06 0.00 0.04 0.00 0.00 34.50 32.46 1pii s PRO 366 CO 0.08 -1.81 0.98 0.00 0.04 0.00 0.00 177.00 176.28 1pii s ALA 367 N -2.96 3.11 -0.61 8.56 0.00 -1.26 -5.01 121.76 123.58 1pii s ALA 367 Ca 0.62 0.02 0.06 0.00 0.00 0.00 0.00 51.96 52.66 1pii s ALA 367 Cb -0.17 -3.05 0.24 0.00 0.00 0.00 0.00 23.12 20.15 1pii s ALA 367 CO 0.56 -0.40 0.70 0.54 0.00 0.00 0.00 175.76 177.16 1pii n ARG 368 N -2.04 2.25 0.00 0.00 1.74 -1.26 -4.85 116.66 112.51 1pii n ARG 368 Ca 0.06 -4.48 0.11 0.00 -0.77 0.00 0.00 57.85 52.77 1pii n ARG 368 Cb 0.54 -2.13 -0.09 0.00 -1.02 0.00 0.00 32.46 29.77 1pii n ARG 368 CO 0.00 0.00 0.00 0.39 -1.52 0.00 0.00 177.63 176.50 1pii n GLU 369 N 0.99 0.19 -1.57 5.56 1.02 -1.26 -5.02 120.64 120.55 1pii n GLU 369 Ca 0.28 -0.04 -0.41 0.00 -0.02 0.00 0.00 57.16 56.96 1pii n GLU 369 Cb 0.42 -1.52 0.01 0.00 -0.02 0.00 0.00 31.44 30.33 1pii n GLU 369 CO 0.00 0.00 0.00 1.19 1.18 0.00 0.00 177.13 179.50 1pii n PHE 370 N -1.74 0.73 -3.45 -0.32 3.01 -1.26 -5.01 117.46 109.42 1pii n PHE 370 Ca 0.02 0.57 -0.31 0.00 1.01 0.00 0.00 57.45 58.75 1pii n PHE 370 Cb 0.40 -2.16 -0.05 0.00 -0.01 0.00 0.00 39.48 37.66 1pii n PHE 370 CO 0.00 0.00 0.00 -0.65 1.01 0.00 0.00 176.76 177.12 1pii s GLN 371 N -1.92 3.71 -0.24 -1.08 -0.21 -1.26 -4.18 119.66 114.47 1pii s GLN 371 Ca 0.64 0.11 0.00 0.00 0.02 0.00 0.00 55.36 56.13 1pii s GLN 371 Cb -0.57 -2.69 0.00 0.00 1.00 0.00 0.00 33.01 30.75 1pii s GLN 371 CO 0.57 0.32 0.00 0.72 -2.12 0.00 0.00 175.29 174.77 1pii n HIS 372 N -0.34 0.00 -3.69 0.91 8.25 -1.26 -4.83 115.22 114.26 1pii n HIS 372 Ca -0.01 0.00 -0.37 0.00 -0.26 0.00 0.00 57.72 57.08 1pii n HIS 372 Cb 0.53 -1.26 -0.12 0.00 1.12 0.00 0.00 29.99 30.26 1pii n HIS 372 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 1pii s VAL 373 N -1.67 4.59 -0.06 1.59 1.01 -1.26 -4.58 120.40 120.02 1pii s VAL 373 Ca 0.00 -0.18 0.13 0.00 0.00 0.00 0.00 61.98 61.93 1pii s VAL 373 Cb 0.00 -3.21 -0.06 0.00 0.00 0.00 0.00 36.38 33.10 1pii s VAL 373 CO 0.00 0.24 1.27 0.44 0.00 0.00 0.00 175.10 177.05 1pii h ASP 374 N 8.30 0.00 -4.88 3.32 3.32 -1.53 -3.48 116.42 121.47 1pii h ASP 374 Ca -0.36 0.00 -0.10 0.00 0.02 0.00 0.00 57.03 56.59 1pii h ASP 374 Cb 1.17 0.00 -0.20 0.00 0.22 0.00 0.00 39.33 40.52 1pii h ASP 374 CO 0.58 0.69 -0.14 -0.75 -1.72 0.00 0.00 179.24 177.90 1pii s LYS 375 N -2.86 0.76 0.08 3.56 2.47 -1.23 -4.91 119.74 117.62 1pii s LYS 375 Ca 0.02 0.01 0.10 0.00 -1.56 0.00 0.00 55.97 54.54 1pii s LYS 375 Cb 0.08 0.35 -0.03 0.00 -1.46 0.00 0.00 37.83 36.77 1pii s LYS 375 CO 0.78 -0.21 -0.26 0.71 0.16 0.00 0.00 175.35 176.53 1pii s TYR 376 N -1.13 2.30 -0.28 4.03 1.51 0.62 -1.74 117.35 122.66 1pii s TYR 376 Ca -0.11 -0.40 -0.01 0.00 -1.01 0.00 0.00 57.07 55.54 1pii s TYR 376 Cb -0.04 -1.32 0.05 0.00 -0.11 0.00 0.00 41.96 40.54 1pii s TYR 376 CO 0.05 0.22 -0.04 0.08 -1.11 0.00 0.00 175.55 174.75 1pii s VAL 377 N -0.92 2.76 -0.19 0.71 1.01 -0.03 -0.67 120.40 123.06 1pii s VAL 377 Ca 0.13 -1.37 -0.11 0.00 0.00 0.00 0.00 61.98 60.63 1pii s VAL 377 Cb -0.10 -2.55 -0.05 0.00 0.00 0.00 0.00 36.38 33.68 1pii s VAL 377 CO 0.04 -0.02 0.16 -0.76 0.00 0.00 0.00 175.10 174.52 1pii s LEU 378 N 1.23 4.21 0.37 3.92 1.02 -0.59 -0.36 118.68 128.48 1pii s LEU 378 Ca -0.05 0.29 -0.11 0.00 0.02 0.00 0.00 54.13 54.28 1pii s LEU 378 Cb -0.19 -2.15 0.04 0.00 0.02 0.00 0.00 46.19 43.90 1pii s LEU 378 CO -0.03 0.16 0.67 1.51 0.02 0.00 0.00 176.35 178.69 1pii s ASP 379 N 0.40 0.36 -0.52 2.29 -4.77 -0.58 -0.48 116.67 113.36 1pii s ASP 379 Ca 0.10 -1.28 -0.06 0.00 -3.30 0.00 0.00 52.55 48.01 1pii s ASP 379 Cb -0.11 0.78 0.14 0.00 -1.09 0.00 0.00 42.92 42.64 1pii s ASP 379 CO -0.01 -1.55 0.36 0.21 0.70 0.00 0.00 175.17 174.89 1pii s ASN 380 N -3.13 5.54 0.00 2.11 3.04 -1.26 -1.04 114.94 120.20 1pii s ASN 380 Ca 0.21 -2.25 0.00 0.00 0.04 0.00 0.00 52.86 50.86 1pii s ASN 380 Cb -0.03 -1.94 0.00 0.00 -1.54 0.00 0.00 41.25 37.74 1pii s ASN 380 CO 0.15 -0.56 0.00 0.61 -3.04 0.00 0.00 177.10 174.26 1pii n GLY 381 N 4.38 -0.46 3.23 1.21 0.00 -1.26 -4.68 105.19 107.61 1pii n GLY 381 Ca -0.01 -1.55 -0.18 0.00 0.00 0.00 0.00 46.02 44.29 1pii n GLY 381 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1pii n GLN 382 N 0.00 -6.34 0.00 1.61 3.00 -1.26 -3.54 117.38 110.85 1pii n GLN 382 Ca 0.00 0.74 0.00 0.00 -0.01 0.00 0.00 57.00 57.73 1pii n GLN 382 Cb 0.00 -5.48 0.00 0.00 0.00 0.00 0.00 30.24 24.76 1pii n GLN 382 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 1pii n GLY 383 N -1.41 1.27 0.00 1.08 0.00 -1.26 -4.82 105.19 100.05 1pii n GLY 383 Ca -0.15 0.41 0.00 0.00 0.00 0.00 0.00 46.02 46.28 1pii n GLY 383 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1pii n GLY 384 N 0.00 -1.58 0.18 -0.02 0.00 -1.23 -4.71 105.19 97.83 1pii n GLY 384 Ca 0.00 -1.43 0.05 0.00 0.00 0.00 0.00 46.02 44.64 1pii n GLY 384 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1pii n SER 385 N -1.22 1.50 -2.93 1.61 2.88 -1.26 -4.93 113.62 109.28 1pii n SER 385 Ca 0.00 -2.54 -0.13 0.00 -1.33 0.00 0.00 58.87 54.87 1pii n SER 385 Cb 0.00 -0.29 -0.03 0.00 -0.75 0.00 0.00 64.21 63.14 1pii n SER 385 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1pii n GLY 386 N -0.84 3.87 3.52 0.46 0.00 -1.26 -4.82 105.19 106.12 1pii n GLY 386 Ca 0.09 -2.19 -0.42 0.00 0.00 0.00 0.00 46.02 43.50 1pii n GLY 386 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1pii s GLN 387 N -2.74 3.46 0.00 1.61 -1.52 -1.26 -2.13 119.66 117.07 1pii s GLN 387 Ca 0.03 -1.06 0.00 0.00 -1.95 0.00 0.00 55.36 52.37 1pii s GLN 387 Cb 0.00 -4.89 0.00 0.00 -0.22 0.00 0.00 33.01 27.90 1pii s GLN 387 CO 0.02 -2.05 0.00 2.89 -0.25 0.00 0.00 175.29 175.90 1pii n ARG 388 N 8.30 0.00 -3.15 2.91 1.85 -1.19 -4.94 116.66 120.43 1pii n ARG 388 Ca 0.21 0.00 -0.22 0.00 -1.00 0.00 0.00 57.85 56.84 1pii n ARG 388 Cb 0.49 -0.33 0.01 0.00 -1.05 0.00 0.00 32.46 31.58 1pii n ARG 388 CO 0.00 0.00 0.00 -0.59 -0.01 0.00 0.00 177.63 177.03 1pii s PHE 389 N -2.11 3.22 -0.66 2.89 -0.12 -1.26 -5.01 117.98 114.93 1pii s PHE 389 Ca 0.00 0.13 -0.26 0.00 -0.05 0.00 0.00 56.93 56.75 1pii s PHE 389 Cb 0.00 -2.19 -0.02 0.00 -0.63 0.00 0.00 43.02 40.18 1pii s PHE 389 CO 0.00 -0.22 1.80 0.34 -0.05 0.00 0.00 175.22 177.09 1pii s ASP 390 N -4.19 5.37 0.25 1.98 -1.08 -1.26 -4.86 116.67 112.89 1pii s ASP 390 Ca 0.47 0.11 0.19 0.00 -0.52 0.00 0.00 52.55 52.80 1pii s ASP 390 Cb -0.10 -2.54 0.95 0.00 -1.46 0.00 0.00 42.92 39.78 1pii s ASP 390 CO 0.36 -2.34 1.58 0.79 0.52 0.00 0.00 175.17 176.08 1pii n TRP 391 N 12.45 0.63 0.40 -5.34 8.01 -1.26 -1.60 117.44 130.72 1pii n TRP 391 Ca 0.21 0.30 0.13 0.00 -1.31 0.00 0.00 57.50 56.83 1pii n TRP 391 Cb 0.51 -0.98 0.50 0.00 -2.01 0.00 0.00 31.31 29.33 1pii n TRP 391 CO 0.00 0.00 0.00 0.66 -1.01 0.00 0.00 177.69 177.34 1pii h SER 392 N 0.00 0.00 0.55 -0.99 4.64 -2.00 -2.52 113.55 113.22 1pii h SER 392 Ca 0.00 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.31 1pii h SER 392 Cb 0.10 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.19 1pii h SER 392 CO 0.00 0.00 -0.05 -0.07 -0.87 0.00 0.00 176.83 175.84 1pii h LEU 393 N 0.00 0.00 -0.81 5.97 3.38 -1.71 -2.98 115.31 119.17 1pii h LEU 393 Ca 0.00 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.95 1pii h LEU 393 Cb 0.51 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.26 1pii h LEU 393 CO 0.00 0.05 -0.08 -0.07 0.09 0.00 0.00 178.44 178.43 1pii h LEU 394 N 0.00 0.00 -9.99 1.67 3.38 -1.65 -3.45 115.31 105.26 1pii h LEU 394 Ca -0.00 0.00 -0.53 0.00 0.09 0.00 0.00 57.88 57.43 1pii h LEU 394 Cb 0.34 0.00 0.11 0.00 0.09 0.00 0.00 40.66 41.20 1pii h LEU 394 CO 0.01 0.08 0.62 0.21 0.09 0.00 0.00 178.44 179.45 1pii s ASN 395 N -6.02 5.88 0.00 -0.43 2.47 -1.13 -2.46 114.94 113.25 1pii s ASN 395 Ca 0.03 2.71 0.00 0.00 0.42 0.00 0.00 52.86 56.02 1pii s ASN 395 Cb 0.08 -2.64 0.00 0.00 -1.45 0.00 0.00 41.25 37.24 1pii s ASN 395 CO 0.62 -1.15 0.00 0.61 -3.72 0.00 0.00 177.10 173.46 1pii n GLY 396 N 0.63 0.88 3.61 1.21 0.00 -1.26 -5.06 105.19 105.20 1pii n GLY 396 Ca 0.06 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.82 1pii n GLY 396 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1pii s GLN 397 N -0.61 2.20 -0.04 1.61 -1.52 -1.03 -5.09 119.66 115.18 1pii s GLN 397 Ca 0.00 -1.24 -0.26 0.00 -1.95 0.00 0.00 55.36 51.91 1pii s GLN 397 Cb 0.00 -2.22 -0.03 0.00 -0.22 0.00 0.00 33.01 30.53 1pii s GLN 397 CO 0.00 0.43 0.83 0.45 -0.25 0.00 0.00 175.29 176.75 1pii s SER 398 N -2.99 7.15 -0.06 5.90 0.15 -1.26 -4.93 113.70 117.66 1pii s SER 398 Ca 0.27 1.39 0.09 0.00 0.70 0.00 0.00 55.95 58.40 1pii s SER 398 Cb -0.09 -2.48 0.14 0.00 -1.71 0.00 0.00 66.02 61.88 1pii s SER 398 CO 0.17 -0.18 1.07 0.18 1.20 0.00 0.00 173.24 175.68 1pii n LEU 399 N 3.86 2.18 0.11 3.45 4.77 -1.26 -4.79 117.00 125.33 1pii n LEU 399 Ca 0.02 -2.49 0.09 0.00 -0.03 0.00 0.00 56.01 53.60 1pii n LEU 399 Cb 0.51 -0.20 0.44 0.00 -2.33 0.00 0.00 43.42 41.84 1pii n LEU 399 CO 0.49 0.60 0.78 0.61 -1.33 0.00 0.00 177.39 178.54 1pii n GLY 400 N -0.91 -0.97 0.77 -0.72 0.00 -1.26 -1.79 105.19 100.32 1pii n GLY 400 Ca 0.07 0.10 0.06 0.00 0.00 0.00 0.00 46.02 46.25 1pii n GLY 400 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1pii n ASN 401 N -2.06 1.49 -4.34 1.61 6.94 -1.26 -4.73 115.26 112.92 1pii n ASN 401 Ca 0.01 -3.17 -0.32 0.00 -0.02 0.00 0.00 54.58 51.07 1pii n ASN 401 Cb 0.11 -0.43 -0.15 0.00 -2.36 0.00 0.00 39.78 36.94 1pii n ASN 401 CO 0.00 0.00 0.00 -0.69 -1.03 0.00 0.00 177.26 175.54 1pii s VAL 402 N -2.11 2.58 -0.13 3.53 1.01 -0.74 -0.28 120.40 124.27 1pii s VAL 402 Ca 0.34 -0.86 -0.04 0.00 0.00 0.00 0.00 61.98 61.42 1pii s VAL 402 Cb 0.34 -2.01 -0.03 0.00 0.00 0.00 0.00 36.38 34.68 1pii s VAL 402 CO -0.08 0.56 -0.01 -0.76 0.00 0.00 0.00 175.10 174.81 1pii s LEU 403 N -0.04 3.47 -0.04 3.92 1.43 0.15 -0.59 118.68 126.97 1pii s LEU 403 Ca -0.05 0.01 -0.16 0.00 -1.03 0.00 0.00 54.13 52.90 1pii s LEU 403 Cb -0.14 -1.82 -0.05 0.00 0.03 0.00 0.00 46.19 44.20 1pii s LEU 403 CO 0.04 0.25 0.44 -0.22 0.23 0.00 0.00 176.35 177.10 1pii s LEU 404 N -0.13 4.40 0.13 1.79 2.96 -0.16 -1.55 118.68 126.12 1pii s LEU 404 Ca 0.04 0.92 -0.03 0.00 -0.22 0.00 0.00 54.13 54.84 1pii s LEU 404 Cb -0.13 -2.64 -0.03 0.00 0.50 0.00 0.00 46.19 43.89 1pii s LEU 404 CO 0.02 0.19 0.10 0.00 -1.32 0.00 0.00 176.35 175.35 1pii s ALA 405 N -0.39 0.63 0.00 5.97 0.00 0.36 0.33 121.76 128.66 1pii s ALA 405 Ca 0.25 -1.31 0.00 0.00 0.00 0.00 0.00 51.96 50.89 1pii s ALA 405 Cb -0.16 0.83 0.00 0.00 0.00 0.00 0.00 23.12 23.78 1pii s ALA 405 CO 0.12 -0.52 0.00 0.41 0.00 0.00 0.00 175.76 175.78 1pii n GLY 406 N -0.11 1.60 2.13 0.00 0.00 -1.26 -4.08 105.19 103.47 1pii n GLY 406 Ca -0.07 -0.67 -0.02 0.00 0.00 0.00 0.00 46.02 45.26 1pii n GLY 406 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1pii n GLY 407 N 0.04 0.54 3.67 -0.02 0.00 -0.91 -3.19 105.19 105.32 1pii n GLY 407 Ca 0.00 -0.50 -0.43 0.00 0.00 0.00 0.00 46.02 45.10 1pii n GLY 407 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1pii s LEU 408 N -0.42 4.21 0.00 0.99 1.43 -1.26 -4.78 118.68 118.84 1pii s LEU 408 Ca 0.00 1.74 -0.01 0.00 -1.03 0.00 0.00 54.13 54.83 1pii s LEU 408 Cb 0.00 -3.54 0.00 0.00 0.03 0.00 0.00 46.19 42.68 1pii s LEU 408 CO 0.00 -0.72 0.09 0.61 0.23 0.00 0.00 176.35 176.56 1pii n GLY 409 N 3.56 2.43 0.31 -3.19 0.00 -1.26 -4.37 105.19 102.67 1pii n GLY 409 Ca 0.13 -1.23 0.05 0.00 0.00 0.00 0.00 46.02 44.98 1pii n GLY 409 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1pii h ALA 410 N 1.76 1.23 0.00 4.61 0.00 -1.88 0.91 119.26 125.88 1pii h ALA 410 Ca -0.04 0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.93 1pii h ALA 410 Cb 0.17 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.90 1pii h ALA 410 CO 0.06 -0.03 0.00 -0.44 0.00 0.00 0.00 179.25 178.84 1pii h ASP 411 N 0.68 0.00 0.00 0.00 3.32 -1.96 -3.31 116.42 115.14 1pii h ASP 411 Ca 0.44 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.49 1pii h ASP 411 Cb 0.54 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.09 1pii h ASP 411 CO -0.32 0.00 0.00 -0.46 -1.72 0.00 0.00 179.24 176.74 1pii n ASN 412 N -2.55 0.52 -0.09 6.45 0.23 -0.86 -4.81 115.26 114.15 1pii n ASN 412 Ca 0.03 -1.22 -0.01 0.00 -0.53 0.00 0.00 54.58 52.86 1pii n ASN 412 Cb 0.36 0.00 0.26 0.00 -2.08 0.00 0.00 39.78 38.32 1pii n ASN 412 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1pii h VAL 414 N 0.72 0.22 -0.48 0.00 2.07 -1.85 -0.65 116.25 116.28 1pii h VAL 414 Ca 0.17 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.69 1pii h VAL 414 Cb 0.20 0.22 -0.02 0.00 -1.52 0.00 0.00 31.29 30.17 1pii h VAL 414 CO -0.01 0.00 0.31 -0.33 0.02 0.00 0.00 177.57 177.56 1pii h GLU 415 N -0.70 0.64 -0.39 1.57 3.07 -1.88 -2.79 114.58 114.09 1pii h GLU 415 Ca -0.00 -0.05 0.07 0.00 -0.50 0.00 0.00 59.36 58.88 1pii h GLU 415 Cb 0.67 -0.14 -0.06 0.00 -0.84 0.00 0.00 28.75 28.38 1pii h GLU 415 CO -0.15 0.44 0.03 0.00 -1.40 0.00 0.00 179.01 177.93 1pii h ALA 416 N 1.16 0.39 0.00 3.43 0.00 -1.29 -1.11 119.26 121.84 1pii h ALA 416 Ca 0.18 0.10 -0.01 0.00 0.00 0.00 0.00 54.91 55.18 1pii h ALA 416 Cb -0.05 0.16 -0.00 0.00 0.00 0.00 0.00 17.79 17.90 1pii h ALA 416 CO -0.04 -0.37 -0.06 0.00 0.00 0.00 0.00 179.25 178.79 1pii h ALA 417 N 1.33 1.24 -0.00 0.00 0.00 -0.93 -1.95 119.26 118.95 1pii h ALA 417 Ca 0.19 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.05 1pii h ALA 417 Cb 0.26 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.04 1pii h ALA 417 CO -0.30 0.07 -0.10 1.04 0.00 0.00 0.00 179.25 179.96 1pii n GLN 418 N -3.50 0.26 0.26 0.00 6.02 -0.43 -4.14 117.38 115.85 1pii n GLN 418 Ca -0.02 -0.06 0.17 0.00 -0.01 0.00 0.00 57.00 57.08 1pii n GLN 418 Cb 0.17 -1.50 0.65 0.00 1.02 0.00 0.00 30.24 30.59 1pii n GLN 418 CO 0.00 0.00 0.00 1.79 -1.01 0.00 0.00 177.06 177.84 1pii h THR 419 N 0.14 0.00 0.00 5.09 1.35 -1.21 -3.47 112.91 114.81 1pii h THR 419 Ca 0.00 -0.50 0.00 0.00 -0.55 0.00 0.00 66.41 65.36 1pii h THR 419 Cb 0.42 1.48 0.00 0.00 -1.73 0.00 0.00 68.15 68.32 1pii h THR 419 CO 0.00 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 175.88 1pii n GLY 420 N 0.07 0.77 3.87 5.82 0.00 -1.26 -4.98 105.19 109.48 1pii n GLY 420 Ca 0.01 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.74 1pii n GLY 420 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1pii h ALA 422 N -1.09 1.38 -1.93 0.00 0.00 -0.79 -3.43 119.26 113.40 1pii h ALA 422 Ca -0.47 -0.28 0.34 0.00 0.00 0.00 0.00 54.91 54.51 1pii h ALA 422 Cb 1.32 -0.05 -0.08 0.00 0.00 0.00 0.00 17.79 18.98 1pii h ALA 422 CO 0.65 0.38 0.89 0.20 0.00 0.00 0.00 179.25 181.37 1pii s GLY 423 N -4.28 -0.21 0.09 0.00 0.00 -1.22 -1.51 107.32 100.19 1pii s GLY 423 Ca -0.03 0.22 0.10 0.00 0.00 0.00 0.00 44.72 45.01 1pii s GLY 423 CO 0.70 4.16 -0.26 1.08 0.00 0.00 0.00 173.10 178.78 1pii s LEU 424 N -3.59 2.25 -0.32 0.66 1.43 -1.26 -0.99 118.68 116.87 1pii s LEU 424 Ca 0.25 -0.67 -0.04 0.00 -1.03 0.00 0.00 54.13 52.64 1pii s LEU 424 Cb 0.01 -1.23 0.04 0.00 0.03 0.00 0.00 46.19 45.05 1pii s LEU 424 CO -0.02 0.21 0.05 -0.62 0.23 0.00 0.00 176.35 176.20 1pii s ASP 425 N -1.67 5.09 -0.13 2.29 -1.08 0.15 -2.16 116.67 119.16 1pii s ASP 425 Ca 0.12 -1.21 -0.08 0.00 -0.52 0.00 0.00 52.55 50.87 1pii s ASP 425 Cb -0.10 -1.78 -0.04 0.00 -1.46 0.00 0.00 42.92 39.53 1pii s ASP 425 CO 0.04 -0.29 0.15 -0.36 0.52 0.00 0.00 175.17 175.23 1pii s PHE 426 N 1.32 3.57 0.00 -5.34 0.08 -0.53 -4.32 117.98 112.77 1pii s PHE 426 Ca -0.04 0.51 0.00 0.00 0.12 0.00 0.00 56.93 57.53 1pii s PHE 426 Cb -0.20 -1.99 0.00 0.00 -0.57 0.00 0.00 43.02 40.26 1pii s PHE 426 CO 0.01 0.65 0.00 -1.71 -0.10 0.00 0.00 175.22 174.07 1pii n ASN 427 N 2.25 0.00 -0.33 1.36 2.85 -1.26 0.37 115.26 120.50 1pii n ASN 427 Ca -0.19 0.00 -0.03 0.00 -0.11 0.00 0.00 54.58 54.25 1pii n ASN 427 Cb 0.54 0.00 0.09 0.00 1.24 0.00 0.00 39.78 41.65 1pii n ASN 427 CO 0.00 0.00 0.00 0.77 -2.11 0.00 0.00 177.26 175.92 1pii h SER 428 N 0.00 1.05 0.11 1.20 4.64 -1.90 -2.52 113.55 116.13 1pii h SER 428 Ca 0.00 -0.05 0.00 0.00 -0.47 0.00 0.00 61.79 61.27 1pii h SER 428 Cb 0.00 -0.26 0.00 0.00 -0.31 0.00 0.00 62.40 61.83 1pii h SER 428 CO 0.00 0.78 0.00 0.00 -0.87 0.00 0.00 176.83 176.74 1pii n ALA 429 N -2.36 1.29 -1.25 5.18 0.00 -1.26 -1.11 120.51 120.99 1pii n ALA 429 Ca 0.10 -0.02 0.05 0.00 0.00 0.00 0.00 53.44 53.57 1pii n ALA 429 Cb 0.04 -1.07 0.20 0.00 0.00 0.00 0.00 19.45 18.62 1pii n ALA 429 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.50 178.83 1pii n VAL 430 N -1.40 2.26 -4.13 0.00 0.24 -0.95 -4.67 118.33 109.69 1pii n VAL 430 Ca 0.01 -2.47 -0.27 0.00 -2.04 0.00 0.00 64.34 59.58 1pii n VAL 430 Cb 0.04 -0.27 -0.06 0.00 -1.47 0.00 0.00 33.84 32.08 1pii n VAL 430 CO 0.00 0.00 0.00 -1.61 -2.14 0.00 0.00 176.83 173.08 1pii s GLU 431 N -3.04 2.71 -0.14 7.34 2.02 -0.27 -1.15 118.70 126.17 1pii s GLU 431 Ca 0.40 -0.95 0.14 0.00 0.02 0.00 0.00 54.97 54.57 1pii s GLU 431 Cb 0.35 -2.54 -0.24 0.00 0.10 0.00 0.00 34.13 31.81 1pii s GLU 431 CO 0.02 0.48 0.30 -1.13 0.02 0.00 0.00 175.26 174.94 1pii n SER 432 N -0.22 0.57 -3.71 -0.19 3.41 -0.51 -4.80 113.62 108.18 1pii n SER 432 Ca -0.09 0.16 -0.14 0.00 -0.26 0.00 0.00 58.87 58.55 1pii n SER 432 Cb 0.55 0.40 -0.09 0.00 -0.26 0.00 0.00 64.21 64.81 1pii n SER 432 CO 0.00 0.00 0.00 -1.10 -0.16 0.00 0.00 175.04 173.78 1pii s GLN 433 N -2.54 0.67 -0.10 4.33 -1.52 -1.22 -5.05 119.66 114.22 1pii s GLN 433 Ca -0.10 0.20 -0.39 0.00 -1.95 0.00 0.00 55.36 53.13 1pii s GLN 433 Cb 0.07 0.31 -0.16 0.00 -0.22 0.00 0.00 33.01 33.01 1pii s GLN 433 CO 0.81 -0.16 1.54 -2.30 -0.25 0.00 0.00 175.29 174.94 1pii n PRO 434 N 1.85 1.13 -0.86 2.91 -0.02 -1.26 0.19 135.00 138.95 1pii n PRO 434 Ca -0.18 0.41 0.00 0.00 -2.02 0.00 0.00 63.50 61.71 1pii n PRO 434 Cb 0.57 -2.07 0.00 0.00 -0.02 0.00 0.00 33.50 31.97 1pii n PRO 434 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1pii n GLY 435 N 3.36 1.25 3.12 -1.23 0.00 -1.26 -4.89 105.19 105.54 1pii n GLY 435 Ca 0.23 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.92 1pii n GLY 435 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1pii s ILE 436 N -3.83 2.23 0.18 -0.61 1.01 0.51 -4.01 121.20 116.68 1pii s ILE 436 Ca 0.00 -1.17 -0.20 0.00 0.00 0.00 0.00 60.65 59.28 1pii s ILE 436 Cb 0.00 -2.09 -0.08 0.00 0.01 0.00 0.00 42.46 40.30 1pii s ILE 436 CO 0.00 0.31 0.69 -0.54 0.00 0.00 0.00 174.94 175.40 1pii s LYS 437 N 1.24 4.28 -0.53 2.79 3.01 -1.26 -1.42 119.74 127.85 1pii s LYS 437 Ca -0.00 0.87 -0.18 0.00 -1.01 0.00 0.00 55.97 55.65 1pii s LYS 437 Cb -0.16 -3.01 0.08 0.00 -1.01 0.00 0.00 37.83 33.73 1pii s LYS 437 CO -0.09 0.48 0.60 0.34 0.51 0.00 0.00 175.35 177.18 1pii s ASP 438 N -1.47 6.20 0.53 2.83 -1.08 -0.30 -4.76 116.67 118.61 1pii s ASP 438 Ca 0.39 -1.18 0.25 0.00 -0.52 0.00 0.00 52.55 51.48 1pii s ASP 438 Cb -0.18 -2.27 1.40 0.00 -1.46 0.00 0.00 42.92 40.41 1pii s ASP 438 CO 0.22 -0.91 2.01 0.00 0.52 0.00 0.00 175.17 177.01 1pii h ALA 439 N 9.00 2.42 0.07 3.66 0.00 -1.96 -0.39 119.26 132.06 1pii h ALA 439 Ca -0.28 -0.02 -0.24 0.00 0.00 0.00 0.00 54.91 54.37 1pii h ALA 439 Cb 1.10 0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.92 1pii h ALA 439 CO 0.99 -0.59 -1.11 0.00 0.00 0.00 0.00 179.25 178.55 1pii h ARG 440 N 0.00 0.22 -0.59 0.00 2.47 -1.95 -0.99 114.38 113.54 1pii h ARG 440 Ca 0.22 -0.33 -0.06 0.00 -1.26 0.00 0.00 59.98 58.55 1pii h ARG 440 Cb 0.91 0.12 -0.02 0.00 -1.65 0.00 0.00 29.97 29.33 1pii h ARG 440 CO -0.00 1.12 0.13 -0.07 0.56 0.00 0.00 179.97 181.71 1pii h LEU 441 N 0.08 0.90 0.03 3.04 4.07 -1.55 -0.69 115.31 121.19 1pii h LEU 441 Ca -0.09 -0.24 -0.00 0.00 0.08 0.00 0.00 57.88 57.63 1pii h LEU 441 Cb 1.82 -0.24 0.00 0.00 1.08 0.00 0.00 40.66 43.32 1pii h LEU 441 CO 0.17 0.91 -0.01 -0.07 -1.08 0.00 0.00 178.44 178.36 1pii h LEU 442 N 0.86 -0.03 -1.68 1.67 3.38 -1.10 0.13 115.31 118.54 1pii h LEU 442 Ca 0.18 -0.07 -0.03 0.00 0.09 0.00 0.00 57.88 58.05 1pii h LEU 442 Cb 0.36 0.01 -0.01 0.00 0.09 0.00 0.00 40.66 41.12 1pii h LEU 442 CO 0.00 0.05 -0.13 0.00 0.09 0.00 0.00 178.44 178.46 1pii h ALA 443 N 0.86 1.73 -0.22 1.53 0.00 -0.86 -2.06 119.26 120.24 1pii h ALA 443 Ca -0.00 -0.13 -0.06 0.00 0.00 0.00 0.00 54.91 54.72 1pii h ALA 443 Cb 0.10 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 17.85 1pii h ALA 443 CO 0.01 0.20 -0.08 1.03 0.00 0.00 0.00 179.25 180.40 1pii h SER 444 N 0.04 0.45 -0.54 0.00 0.87 -0.45 -0.69 113.55 113.23 1pii h SER 444 Ca 0.01 -0.39 -0.11 0.00 -1.23 0.00 0.00 61.79 60.06 1pii h SER 444 Cb 0.26 -0.12 -0.02 0.00 -0.44 0.00 0.00 62.40 62.07 1pii h SER 444 CO 0.02 0.74 -0.10 -0.37 -0.53 0.00 0.00 176.83 176.59 1pii h VAL 445 N 0.15 1.27 -0.02 2.23 -1.51 -0.26 -1.85 116.25 116.27 1pii h VAL 445 Ca 0.05 -1.25 -0.09 0.00 -1.23 0.00 0.00 66.70 64.18 1pii h VAL 445 Cb 0.56 0.94 -0.01 0.00 -2.13 0.00 0.00 31.29 30.65 1pii h VAL 445 CO 0.03 0.44 -0.41 -0.26 -1.23 0.00 0.00 177.57 176.14 1pii h PHE 446 N 0.92 0.04 -0.20 5.19 -1.00 -1.27 -0.82 116.94 119.80 1pii h PHE 446 Ca 0.14 -0.01 -0.02 0.00 2.81 0.00 0.00 57.97 60.90 1pii h PHE 446 Cb 0.66 -0.01 -0.01 0.00 3.61 0.00 0.00 35.95 40.20 1pii h PHE 446 CO 0.04 0.45 0.07 0.37 -1.61 0.00 0.00 178.31 177.63 1pii h GLN 447 N 0.03 0.31 -0.99 1.51 4.15 -0.97 -2.55 115.11 116.60 1pii h GLN 447 Ca -0.00 -0.06 0.02 0.00 0.77 0.00 0.00 58.65 59.37 1pii h GLN 447 Cb 0.75 -0.05 -0.05 0.00 0.21 0.00 0.00 27.48 28.34 1pii h GLN 447 CO 0.06 0.40 0.66 1.15 -1.93 0.00 0.00 178.83 179.17 1pii h THR 448 N 0.16 1.23 -0.16 2.39 2.02 -0.70 -2.38 112.91 115.48 1pii h THR 448 Ca 0.07 -0.45 0.05 0.00 0.77 0.00 0.00 66.41 66.84 1pii h THR 448 Cb 0.22 -0.21 -0.01 0.00 -1.74 0.00 0.00 68.15 66.42 1pii h THR 448 CO -0.00 0.24 0.21 -0.07 0.37 0.00 0.00 175.52 176.27 1pii h LEU 449 N 1.32 0.00 -0.17 2.58 3.38 -0.73 0.93 115.31 122.62 1pii h LEU 449 Ca 0.37 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.34 1pii h LEU 449 Cb -0.11 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.64 1pii h LEU 449 CO -0.09 0.00 -0.84 -1.14 0.09 0.00 0.00 178.44 176.46 1pii n ARG 450 N -3.64 0.22 -1.84 1.13 3.00 -0.92 -4.77 116.66 109.83 1pii n ARG 450 Ca 0.01 -0.17 -0.40 0.00 -0.00 0.00 0.00 57.85 57.29 1pii n ARG 450 Cb 0.32 -1.50 -0.03 0.00 0.00 0.00 0.00 32.46 31.26 1pii n ARG 450 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1pii n ALA 451 N -1.24 3.78 -1.51 5.13 0.00 0.32 -4.87 120.51 122.12 1pii n ALA 451 Ca 0.05 -3.56 0.00 0.00 0.00 0.00 0.00 53.44 49.93 1pii n ALA 451 Cb 0.35 -3.57 0.00 0.00 0.00 0.00 0.00 19.45 16.23 1pii n ALA 451 CO 0.00 0.00 0.00 2.48 0.00 0.00 0.00 177.50 179.98