#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3dup s LEU 1 N 0.00 3.69 0.21 2.46 1.43 -1.26 -5.01 118.68 120.20 3dup s LEU 1 Ca 0.00 1.10 -0.23 0.00 -1.03 0.00 0.00 54.13 53.97 3dup s LEU 1 Cb 0.00 -4.02 0.05 0.00 0.03 0.00 0.00 46.19 42.24 3dup s LEU 1 CO 0.00 -0.52 0.82 -0.94 0.23 0.00 0.00 176.35 175.94 3dup s SER 2 N -3.60 -0.25 0.16 2.29 1.04 -0.98 -4.70 113.70 107.66 3dup s SER 2 Ca 0.50 -0.45 -0.15 0.00 0.48 0.00 0.00 55.95 56.33 3dup s SER 2 Cb -0.10 0.61 0.09 0.00 0.10 0.00 0.00 66.02 66.71 3dup s SER 2 CO 0.38 -1.10 1.75 -0.26 0.98 0.00 0.00 173.24 174.99 3dup h PHE 3 N 2.00 0.27 -0.61 5.02 0.04 -1.84 -2.87 116.94 118.95 3dup h PHE 3 Ca -0.22 0.02 -0.01 0.00 2.80 0.00 0.00 57.97 60.56 3dup h PHE 3 Cb 1.25 -0.06 -0.03 0.00 2.20 0.00 0.00 35.95 39.31 3dup h PHE 3 CO 0.39 0.11 0.35 1.25 -0.60 0.00 0.00 178.31 179.81 3dup h LEU 4 N 0.32 0.75 -0.99 1.54 5.85 -1.95 -2.36 115.31 118.47 3dup h LEU 4 Ca 0.18 -0.08 0.01 0.00 0.84 0.00 0.00 57.88 58.83 3dup h LEU 4 Cb 0.16 -0.19 -0.05 0.00 0.37 0.00 0.00 40.66 40.95 3dup h LEU 4 CO -0.18 0.61 0.65 0.50 -0.34 0.00 0.00 178.44 179.68 3dup h LYS 5 N 0.83 1.31 -0.64 1.25 3.64 -1.92 0.12 116.57 121.16 3dup h LYS 5 Ca 0.22 -0.08 0.02 0.00 -1.27 0.00 0.00 60.65 59.53 3dup h LYS 5 Cb 0.01 -0.29 -0.04 0.00 -0.41 0.00 0.00 32.23 31.50 3dup h LYS 5 CO -0.04 0.87 0.40 0.45 -2.27 0.00 0.00 179.45 178.87 3dup h HIS 6 N 1.35 0.76 -0.44 1.91 3.86 -1.22 0.56 115.15 121.93 3dup h HIS 6 Ca 0.36 0.02 -0.06 0.00 -1.16 0.00 0.00 60.37 59.53 3dup h HIS 6 Cb -0.15 -0.25 -0.02 0.00 1.06 0.00 0.00 27.41 28.05 3dup h HIS 6 CO -0.00 0.45 0.05 0.28 0.86 0.00 0.00 177.93 179.57 3dup h VAL 7 N 0.81 1.25 -0.69 2.45 2.07 -0.90 -2.09 116.25 119.15 3dup h VAL 7 Ca 0.25 -0.95 -0.04 0.00 0.82 0.00 0.00 66.70 66.77 3dup h VAL 7 Cb -0.03 1.01 -0.03 0.00 -1.52 0.00 0.00 31.29 30.72 3dup h VAL 7 CO -0.08 0.33 0.25 1.56 0.02 0.00 0.00 177.57 179.65 3dup h GLN 8 N 0.60 1.04 -0.44 1.57 4.20 -0.54 -2.75 115.11 118.79 3dup h GLN 8 Ca 0.13 -0.20 0.04 0.00 0.06 0.00 0.00 58.65 58.68 3dup h GLN 8 Cb 0.42 -0.16 -0.04 0.00 0.30 0.00 0.00 27.48 28.00 3dup h GLN 8 CO 0.01 0.88 0.19 -0.44 -0.67 0.00 0.00 178.83 178.80 3dup h ASP 9 N 0.98 0.26 0.42 1.46 3.32 -0.71 -1.99 116.42 120.16 3dup h ASP 9 Ca 0.23 0.03 0.00 0.00 0.02 0.00 0.00 57.03 57.31 3dup h ASP 9 Cb 0.24 -0.01 0.00 0.00 0.22 0.00 0.00 39.33 39.78 3dup h ASP 9 CO -0.01 0.18 0.00 0.00 -1.72 0.00 0.00 179.24 177.69 3dup n ASN 11 N -1.33 2.30 -4.60 0.00 3.02 -0.79 -2.73 115.26 111.13 3dup n ASN 11 Ca 0.08 -3.12 -0.40 0.00 -0.03 0.00 0.00 54.58 51.11 3dup n ASN 11 Cb 0.17 -0.43 -0.07 0.00 -0.61 0.00 0.00 39.78 38.83 3dup n ASN 11 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 3dup s THR 12 N -2.87 5.03 0.11 3.41 2.01 -0.97 -4.84 115.64 117.53 3dup s THR 12 Ca 0.32 0.80 -0.18 0.00 0.31 0.00 0.00 61.69 62.94 3dup s THR 12 Cb 0.28 -3.88 0.04 0.00 0.01 0.00 0.00 72.50 68.95 3dup s THR 12 CO 0.02 -0.00 0.44 -1.38 -0.69 0.00 0.00 174.62 173.01 3dup s HIS 13 N 2.38 -0.27 -0.15 4.92 -3.43 -1.26 -0.87 115.29 116.60 3dup s HIS 13 Ca 0.22 0.04 -0.04 0.00 -0.80 0.00 0.00 55.06 54.48 3dup s HIS 13 Cb -0.15 0.30 0.05 0.00 -1.43 0.00 0.00 32.58 31.35 3dup s HIS 13 CO 0.10 -0.70 0.07 0.34 -2.00 0.00 0.00 174.74 172.56 3dup s ASP 14 N -2.61 2.25 0.00 7.38 -1.08 -1.26 -4.97 116.67 116.38 3dup s ASP 14 Ca 0.01 -0.53 0.22 0.00 -0.52 0.00 0.00 52.55 51.73 3dup s ASP 14 Cb 0.01 -0.30 0.92 0.00 -1.46 0.00 0.00 42.92 42.09 3dup s ASP 14 CO -0.10 -0.32 1.64 0.18 0.52 0.00 0.00 175.17 177.09 3dup n LEU 15 N 5.24 1.29 0.21 -1.34 4.77 -1.26 -4.39 117.00 121.52 3dup n LEU 15 Ca -0.07 -0.51 0.06 0.00 -0.03 0.00 0.00 56.01 55.45 3dup n LEU 15 Cb 0.49 -0.06 0.44 0.00 -2.33 0.00 0.00 43.42 41.96 3dup n LEU 15 CO 0.10 0.26 0.78 0.77 -1.33 0.00 0.00 177.39 177.97 3dup h SER 16 N 1.79 0.00 -0.49 -1.43 4.64 -2.03 -1.51 113.55 114.51 3dup h SER 16 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3dup h SER 16 Cb 0.39 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.48 3dup h SER 16 CO 0.00 0.31 0.00 -3.20 -0.87 0.00 0.00 176.83 173.07 3dup n ASN 17 N -3.86 3.52 -4.39 4.97 4.05 -1.26 -4.94 115.26 113.34 3dup n ASN 17 Ca -0.01 -2.27 -0.25 0.00 0.45 0.00 0.00 54.58 52.49 3dup n ASN 17 Cb 0.39 -0.47 -0.12 0.00 1.23 0.00 0.00 39.78 40.81 3dup n ASN 17 CO 0.00 0.00 0.00 -0.36 -3.05 0.00 0.00 177.26 173.85 3dup s PHE 18 N -1.68 2.14 0.14 1.20 0.08 -0.57 -0.65 117.98 118.64 3dup s PHE 18 Ca 0.38 -0.39 0.11 0.00 0.12 0.00 0.00 56.93 57.14 3dup s PHE 18 Cb 0.23 -1.06 -0.04 0.00 -0.57 0.00 0.00 43.02 41.58 3dup s PHE 18 CO 0.19 0.44 -0.26 0.14 -0.10 0.00 0.00 175.22 175.64 3dup s VAL 19 N -1.78 2.20 0.28 -0.44 -7.23 0.34 -4.86 120.40 108.92 3dup s VAL 19 Ca 0.19 -1.78 -0.30 0.00 -1.81 0.00 0.00 61.98 58.27 3dup s VAL 19 Cb -0.07 -1.96 -0.12 0.00 0.56 0.00 0.00 36.38 34.78 3dup s VAL 19 CO 0.09 0.03 1.49 0.54 -0.31 0.00 0.00 175.10 176.93 3dup n ARG 20 N 0.81 2.39 -3.75 4.82 1.74 -1.22 -0.39 116.66 121.05 3dup n ARG 20 Ca -0.17 0.85 -0.37 0.00 -0.77 0.00 0.00 57.85 57.39 3dup n ARG 20 Cb 0.54 -2.56 -0.12 0.00 -1.02 0.00 0.00 32.46 29.29 3dup n ARG 20 CO 0.00 0.00 0.00 0.12 -1.52 0.00 0.00 177.63 176.23 3dup s PHE 21 N -0.22 3.11 -0.06 -1.55 5.36 0.05 -0.72 117.98 123.96 3dup s PHE 21 Ca 0.64 -0.31 0.04 0.00 -0.96 0.00 0.00 56.93 56.34 3dup s PHE 21 Cb -0.56 -2.25 -0.00 0.00 -0.34 0.00 0.00 43.02 39.87 3dup s PHE 21 CO 0.51 -0.30 -0.20 0.08 -1.46 0.00 0.00 175.22 173.86 3dup s VAL 22 N 1.55 1.69 -0.13 3.12 1.01 -0.08 -0.09 120.40 127.46 3dup s VAL 22 Ca 0.06 -0.84 0.01 0.00 0.00 0.00 0.00 61.98 61.21 3dup s VAL 22 Cb -0.15 -1.45 0.02 0.00 0.00 0.00 0.00 36.38 34.80 3dup s VAL 22 CO 0.05 0.48 -0.14 -0.63 0.00 0.00 0.00 175.10 174.85 3dup s ILE 23 N 0.15 1.51 -1.47 2.22 1.01 -0.24 -1.43 121.20 122.96 3dup s ILE 23 Ca -0.09 -0.61 -0.01 0.00 0.00 0.00 0.00 60.65 59.94 3dup s ILE 23 Cb -0.14 -1.42 0.01 0.00 0.01 0.00 0.00 42.46 40.92 3dup s ILE 23 CO 0.04 0.45 0.31 -0.62 0.00 0.00 0.00 174.94 175.12 3dup n GLU 24 N 4.61 -2.56 -0.82 2.79 -0.58 -1.26 -1.16 120.64 121.65 3dup n GLU 24 Ca -0.17 0.31 0.00 0.00 -0.42 0.00 0.00 57.16 56.87 3dup n GLU 24 Cb 0.50 -4.27 0.00 0.00 -0.57 0.00 0.00 31.44 27.10 3dup n GLU 24 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3dup n GLY 25 N -2.13 1.26 3.54 0.62 0.00 -1.26 -5.01 105.19 102.21 3dup n GLY 25 Ca -0.30 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.38 3dup n GLY 25 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3dup s ARG 26 N -0.04 3.79 -0.18 1.61 1.81 -0.31 -5.08 118.95 120.56 3dup s ARG 26 Ca 0.00 -0.44 -0.29 0.00 -1.72 0.00 0.00 55.73 53.28 3dup s ARG 26 Cb 0.00 -3.15 -0.02 0.00 -0.45 0.00 0.00 34.95 31.33 3dup s ARG 26 CO 0.00 0.13 1.37 0.50 -0.68 0.00 0.00 175.30 176.63 3dup s ARG 27 N 0.72 4.11 0.00 3.54 3.52 -1.26 -1.08 118.95 128.49 3dup s ARG 27 Ca 0.02 1.66 0.01 0.00 -0.13 0.00 0.00 55.73 57.29 3dup s ARG 27 Cb -0.14 -3.85 0.00 0.00 -1.56 0.00 0.00 34.95 29.40 3dup s ARG 27 CO 0.02 -0.88 0.39 1.33 -0.81 0.00 0.00 175.30 175.35 3dup n VAL 28 N 5.68 0.00 -3.12 7.11 0.24 0.88 -4.81 118.33 124.31 3dup n VAL 28 Ca 0.15 -0.50 0.00 0.00 -2.04 0.00 0.00 64.34 61.96 3dup n VAL 28 Cb 0.45 1.01 0.00 0.00 -1.47 0.00 0.00 33.84 33.83 3dup n VAL 28 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3dup n GLY 29 N 0.31 1.64 2.98 7.63 0.00 -0.82 -4.04 105.19 112.89 3dup n GLY 29 Ca 0.00 -0.89 -0.13 0.00 0.00 0.00 0.00 46.02 45.00 3dup n GLY 29 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 3dup s TRP 30 N -5.88 -0.21 -0.06 1.61 0.52 -0.11 -0.77 118.94 114.04 3dup s TRP 30 Ca 0.00 0.56 0.04 0.00 0.02 0.00 0.00 56.10 56.72 3dup s TRP 30 Cb 0.00 -0.03 -0.00 0.00 -1.15 0.00 0.00 33.47 32.29 3dup s TRP 30 CO 0.00 -0.17 -0.19 0.08 0.02 0.00 0.00 176.95 176.68 3dup s VAL 31 N 1.03 1.63 0.40 4.03 1.01 0.48 -2.23 120.40 126.76 3dup s VAL 31 Ca -0.08 -0.81 -0.27 0.00 0.00 0.00 0.00 61.98 60.82 3dup s VAL 31 Cb -0.10 -1.41 -0.10 0.00 0.00 0.00 0.00 36.38 34.78 3dup s VAL 31 CO -0.06 0.46 1.45 -1.14 0.00 0.00 0.00 175.10 175.82 3dup n ARG 32 N 3.23 2.47 -0.23 2.72 0.63 -1.26 -0.50 116.66 123.72 3dup n ARG 32 Ca -0.19 0.87 0.02 0.00 -0.92 0.00 0.00 57.85 57.64 3dup n ARG 32 Cb 0.53 -2.63 0.14 0.00 0.45 0.00 0.00 32.46 30.95 3dup n ARG 32 CO 0.00 0.00 0.00 0.87 -2.51 0.00 0.00 177.63 175.99 3dup h LYS 33 N 2.66 0.40 -0.72 -0.14 1.57 -1.22 -0.82 116.57 118.31 3dup h LYS 33 Ca -0.50 -0.02 -0.03 0.00 -1.87 0.00 0.00 60.65 58.22 3dup h LYS 33 Cb 1.26 -0.09 -0.03 0.00 0.08 0.00 0.00 32.23 33.44 3dup h LYS 33 CO 0.63 0.26 0.31 0.00 -0.57 0.00 0.00 179.45 180.08 3dup h ALA 34 N 1.48 1.20 -0.47 3.86 0.00 -1.91 -2.25 119.26 121.17 3dup h ALA 34 Ca 0.36 -0.16 -0.08 0.00 0.00 0.00 0.00 54.91 55.02 3dup h ALA 34 Cb 0.49 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 17.98 3dup h ALA 34 CO -0.36 0.59 -0.05 1.25 0.00 0.00 0.00 179.25 180.69 3dup h LEU 35 N 1.03 0.78 -1.24 0.00 5.85 -1.75 -2.38 115.31 117.60 3dup h LEU 35 Ca 0.24 -0.21 0.05 0.00 0.84 0.00 0.00 57.88 58.81 3dup h LEU 35 Cb 0.16 -0.21 -0.05 0.00 0.37 0.00 0.00 40.66 40.93 3dup h LEU 35 CO -0.03 0.88 0.54 0.00 -0.34 0.00 0.00 178.44 179.49 3dup h ALA 36 N 1.20 1.57 -0.56 1.25 0.00 -0.66 0.07 119.26 122.13 3dup h ALA 36 Ca 0.14 -0.03 -0.04 0.00 0.00 0.00 0.00 54.91 54.98 3dup h ALA 36 Cb 0.52 -0.25 -0.03 0.00 0.00 0.00 0.00 17.79 18.03 3dup h ALA 36 CO 0.03 0.32 0.20 1.96 0.00 0.00 0.00 179.25 181.76 3dup h GLN 37 N 0.94 0.83 -0.33 0.00 1.08 -0.93 -1.52 115.11 115.19 3dup h GLN 37 Ca 0.34 -0.14 -0.14 0.00 -1.45 0.00 0.00 58.65 57.27 3dup h GLN 37 Cb 0.16 -0.14 -0.01 0.00 -0.05 0.00 0.00 27.48 27.44 3dup h GLN 37 CO -0.12 0.70 -0.34 0.00 -0.95 0.00 0.00 178.83 178.12 3dup h ARG 38 N 0.81 0.73 0.00 1.46 2.47 -0.67 -3.11 114.38 116.08 3dup h ARG 38 Ca 0.19 -0.35 -0.07 0.00 -1.26 0.00 0.00 59.98 58.49 3dup h ARG 38 Cb 0.20 -0.00 -0.01 0.00 -1.65 0.00 0.00 29.97 28.50 3dup h ARG 38 CO -0.01 0.97 -0.32 -0.07 0.56 0.00 0.00 179.97 181.09 3dup h LEU 39 N 0.61 0.00 -2.01 3.04 3.38 -0.52 -2.81 115.31 116.99 3dup h LEU 39 Ca 0.06 0.00 0.14 0.00 0.09 0.00 0.00 57.88 58.17 3dup h LEU 39 Cb 0.88 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.61 3dup h LEU 39 CO 0.08 0.32 0.36 0.50 0.09 0.00 0.00 178.44 179.79 3dup h LYS 40 N 0.00 0.00 0.00 1.13 3.64 -1.22 0.06 116.57 120.18 3dup h LYS 40 Ca -0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 3dup h LYS 40 Cb 0.63 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.45 3dup h LYS 40 CO 0.04 0.00 0.00 0.00 -2.27 0.00 0.00 179.45 177.22 3dup n ALA 41 N -2.60 1.80 -2.70 5.00 0.00 -1.06 -3.38 120.51 117.57 3dup n ALA 41 Ca 0.08 0.06 -0.39 0.00 0.00 0.00 0.00 53.44 53.19 3dup n ALA 41 Cb 0.56 -1.41 0.01 0.00 0.00 0.00 0.00 19.45 18.62 3dup n ALA 41 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 3dup n HIS 42 N -2.25 2.91 0.23 0.00 8.25 0.01 -4.85 115.22 119.51 3dup n HIS 42 Ca 0.03 -2.76 0.13 0.00 -0.26 0.00 0.00 57.72 54.86 3dup n HIS 42 Cb 0.28 -1.11 0.67 0.00 1.12 0.00 0.00 29.99 30.94 3dup n HIS 42 CO 0.00 0.00 0.00 0.78 0.64 0.00 0.00 176.34 177.76 3dup h GLY 43 N 4.12 0.00 1.79 -1.41 0.00 -1.73 -1.41 103.07 104.43 3dup h GLY 43 Ca 0.47 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.80 3dup h GLY 43 CO 1.14 0.00 -0.13 0.54 0.00 0.00 0.00 176.54 178.09 3dup n ARG 44 N -2.40 0.15 -0.01 4.80 1.74 -1.26 -4.15 116.66 115.53 3dup n ARG 44 Ca -0.01 0.10 -0.02 0.00 -0.77 0.00 0.00 57.85 57.15 3dup n ARG 44 Cb 0.08 -1.65 -0.01 0.00 -1.02 0.00 0.00 32.46 29.85 3dup n ARG 44 CO 0.00 0.00 0.00 0.28 -1.52 0.00 0.00 177.63 176.39 3dup n VAL 45 N -1.90 0.17 -5.11 1.55 0.31 -0.62 -4.81 118.33 107.92 3dup n VAL 45 Ca 0.06 -0.07 -0.30 0.00 -0.01 0.00 0.00 64.34 64.02 3dup n VAL 45 Cb 0.39 -0.65 -0.16 0.00 -0.91 0.00 0.00 33.84 32.50 3dup n VAL 45 CO 0.00 0.00 0.00 -0.36 -1.32 0.00 0.00 176.83 175.15 3dup s PHE 46 N -2.06 2.19 -0.26 3.52 0.08 -0.67 -0.44 117.98 120.33 3dup s PHE 46 Ca -0.04 -0.67 -0.11 0.00 0.12 0.00 0.00 56.93 56.24 3dup s PHE 46 Cb 0.01 -1.45 -0.05 0.00 -0.57 0.00 0.00 43.02 40.96 3dup s PHE 46 CO 0.07 -0.22 0.18 -0.51 -0.10 0.00 0.00 175.22 174.65 3dup s ASP 47 N -0.04 6.07 -0.19 1.36 1.01 0.11 -4.26 116.67 120.72 3dup s ASP 47 Ca -0.05 0.05 -0.01 0.00 0.71 0.00 0.00 52.55 53.25 3dup s ASP 47 Cb -0.13 -2.12 0.00 0.00 1.01 0.00 0.00 42.92 41.68 3dup s ASP 47 CO 0.04 -0.01 -0.12 -0.69 0.21 0.00 0.00 175.17 174.59 3dup s VAL 48 N 1.49 2.75 0.38 -1.27 1.01 -1.26 -0.09 120.40 123.42 3dup s VAL 48 Ca 0.07 -0.71 0.01 0.00 0.00 0.00 0.00 61.98 61.36 3dup s VAL 48 Cb -0.15 -2.21 0.01 0.00 0.00 0.00 0.00 36.38 34.04 3dup s VAL 48 CO 0.08 0.49 0.11 0.35 0.00 0.00 0.00 175.10 176.13 3dup n THR 49 N 4.56 0.00 0.24 3.92 -2.24 0.14 -5.01 114.28 115.89 3dup n THR 49 Ca -0.19 -1.70 0.08 0.00 -2.27 0.00 0.00 64.05 59.97 3dup n THR 49 Cb 0.51 0.16 0.61 0.00 -2.10 0.00 0.00 70.33 69.51 3dup n THR 49 CO 0.00 0.00 0.00 -0.09 -0.57 0.00 0.00 175.07 174.41 3dup h ARG 50 N 0.00 0.00 0.00 -0.78 2.43 -2.04 -3.21 114.38 110.78 3dup h ARG 50 Ca -0.29 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 58.88 3dup h ARG 50 Cb 0.94 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.49 3dup h ARG 50 CO 0.47 0.12 -0.59 -0.25 -1.51 0.00 0.00 179.97 178.21 3dup n ASP 51 N -4.17 0.74 -3.54 -3.80 8.00 -1.26 -4.99 116.55 107.53 3dup n ASP 51 Ca -0.02 -0.64 -0.17 0.00 0.71 0.00 0.00 54.79 54.66 3dup n ASP 51 Cb 0.20 1.06 -0.06 0.00 -0.02 0.00 0.00 41.12 42.30 3dup n ASP 51 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3dup s ALA 52 N -2.03 -1.67 -0.30 2.24 0.00 -1.22 -3.45 121.76 115.34 3dup s ALA 52 Ca 0.03 1.21 -0.08 0.00 0.00 0.00 0.00 51.96 53.11 3dup s ALA 52 Cb 0.07 0.02 -0.01 0.00 0.00 0.00 0.00 23.12 23.21 3dup s ALA 52 CO 0.41 -0.37 0.12 0.08 0.00 0.00 0.00 175.76 176.00 3dup s VAL 53 N -1.25 4.34 -0.16 0.00 1.01 0.10 -0.68 120.40 123.77 3dup s VAL 53 Ca -0.11 -0.47 -0.04 0.00 0.00 0.00 0.00 61.98 61.36 3dup s VAL 53 Cb -0.01 -3.19 -0.03 0.00 0.00 0.00 0.00 36.38 33.15 3dup s VAL 53 CO 0.09 0.11 -0.03 -0.76 0.00 0.00 0.00 175.10 174.51 3dup s LEU 54 N 1.58 3.26 0.25 3.92 1.02 0.87 -0.90 118.68 128.68 3dup s LEU 54 Ca 0.04 -0.13 -0.30 0.00 0.02 0.00 0.00 54.13 53.76 3dup s LEU 54 Cb -0.17 -1.79 -0.10 0.00 0.02 0.00 0.00 46.19 44.16 3dup s LEU 54 CO 0.05 0.16 1.32 -0.22 0.02 0.00 0.00 176.35 177.67 3dup s LEU 55 N 0.43 4.42 0.23 1.79 2.96 -0.51 0.08 118.68 128.08 3dup s LEU 55 Ca -0.03 2.53 -0.31 0.00 -0.22 0.00 0.00 54.13 56.09 3dup s LEU 55 Cb -0.14 -3.63 -0.14 0.00 0.50 0.00 0.00 46.19 42.79 3dup s LEU 55 CO 0.03 -0.53 1.39 -0.24 -1.32 0.00 0.00 176.35 175.67 3dup n SER 56 N 1.91 2.62 0.19 3.68 2.88 0.42 -4.73 113.62 120.59 3dup n SER 56 Ca 0.04 1.14 0.14 0.00 -1.33 0.00 0.00 58.87 58.86 3dup n SER 56 Cb 0.42 -1.41 0.59 0.00 -0.75 0.00 0.00 64.21 63.06 3dup n SER 56 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 3dup h ALA 57 N 4.17 1.00 0.00 -1.46 0.00 -1.92 -2.09 119.26 118.96 3dup h ALA 57 Ca -0.45 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.46 3dup h ALA 57 Cb 1.28 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.07 3dup h ALA 57 CO 0.75 0.00 0.00 0.66 0.00 0.00 0.00 179.25 180.66 3dup h SER 58 N 0.00 0.00 -2.81 0.00 4.64 -1.94 -3.38 113.55 110.06 3dup h SER 58 Ca 0.00 0.00 -0.69 0.00 -0.47 0.00 0.00 61.79 60.63 3dup h SER 58 Cb 0.39 0.00 -0.18 0.00 -0.31 0.00 0.00 62.40 62.30 3dup h SER 58 CO 0.00 0.00 0.34 -0.76 -0.87 0.00 0.00 176.83 175.54 3dup s LEU 59 N -5.18 5.14 0.07 5.97 1.43 -0.79 -4.87 118.68 120.45 3dup s LEU 59 Ca 0.01 -1.48 0.22 0.00 -1.03 0.00 0.00 54.13 51.86 3dup s LEU 59 Cb 0.09 -2.34 -0.13 0.00 0.03 0.00 0.00 46.19 43.84 3dup s LEU 59 CO 0.41 -1.17 0.82 0.54 0.23 0.00 0.00 176.35 177.18 3dup n ARG 60 N 6.61 0.53 -4.40 1.70 5.12 -1.26 -4.77 116.66 120.19 3dup n ARG 60 Ca -0.02 -0.03 -0.26 0.00 -1.93 0.00 0.00 57.85 55.61 3dup n ARG 60 Cb 0.44 -1.64 -0.12 0.00 -1.16 0.00 0.00 32.46 29.98 3dup n ARG 60 CO 0.00 0.00 0.00 0.95 -1.93 0.00 0.00 177.63 176.65 3dup s THR 61 N -3.37 2.23 0.29 0.55 -4.23 -1.26 -5.04 115.64 104.81 3dup s THR 61 Ca -0.02 -2.00 0.02 0.00 -1.18 0.00 0.00 61.69 58.51 3dup s THR 61 Cb 0.13 -2.05 0.29 0.00 1.34 0.00 0.00 72.50 72.20 3dup s THR 61 CO 0.84 -0.16 1.83 -0.65 -0.54 0.00 0.00 174.62 175.95 3dup h PRO 62 N 3.23 0.93 -0.75 3.99 0.11 -1.90 -1.87 132.00 135.74 3dup h PRO 62 Ca -0.45 -0.06 -0.06 0.00 0.11 0.00 0.00 66.00 65.54 3dup h PRO 62 Cb 1.21 -0.21 -0.03 0.00 0.11 0.00 0.00 31.00 32.08 3dup h PRO 62 CO 0.48 0.61 0.25 1.96 -0.21 0.00 0.00 178.00 181.10 3dup h GLN 63 N 0.96 1.16 -0.32 1.05 7.50 -1.96 -0.45 115.11 123.05 3dup h GLN 63 Ca 0.50 -0.24 -0.11 0.00 0.50 0.00 0.00 58.65 59.30 3dup h GLN 63 Cb 0.54 -0.17 -0.01 0.00 0.05 0.00 0.00 27.48 27.89 3dup h GLN 63 CO -0.27 0.97 -0.22 0.66 -1.50 0.00 0.00 178.83 178.47 3dup h SER 64 N 1.12 0.75 -0.12 1.46 4.64 -1.86 -2.03 113.55 117.51 3dup h SER 64 Ca 0.25 -0.44 0.01 0.00 -0.47 0.00 0.00 61.79 61.14 3dup h SER 64 Cb 0.28 -0.21 -0.02 0.00 -0.31 0.00 0.00 62.40 62.15 3dup h SER 64 CO -0.01 1.03 0.02 0.03 -0.87 0.00 0.00 176.83 177.03 3dup h ARG 65 N 0.47 0.08 -0.21 4.77 3.08 -1.06 -1.26 114.38 120.24 3dup h ARG 65 Ca 0.06 -0.00 0.04 0.00 0.07 0.00 0.00 59.98 60.15 3dup h ARG 65 Cb 0.78 -0.02 -0.04 0.00 0.08 0.00 0.00 29.97 30.77 3dup h ARG 65 CO 0.06 0.05 -0.05 1.15 -1.07 0.00 0.00 179.97 180.11 3dup h THR 66 N 0.08 0.80 -0.48 2.04 2.02 -1.06 -0.90 112.91 115.41 3dup h THR 66 Ca 0.05 -0.00 -0.01 0.00 0.77 0.00 0.00 66.41 67.22 3dup h THR 66 Cb 0.04 0.79 -0.02 0.00 -1.74 0.00 0.00 68.15 67.22 3dup h THR 66 CO -0.07 0.00 0.24 -0.09 0.37 0.00 0.00 175.52 175.97 3dup h ARG 67 N 0.01 0.68 0.15 6.66 2.43 -1.31 -0.12 114.38 122.87 3dup h ARG 67 Ca 0.10 -0.09 -0.01 0.00 -0.81 0.00 0.00 59.98 59.17 3dup h ARG 67 Cb 0.15 -0.13 0.00 0.00 -0.42 0.00 0.00 29.97 29.57 3dup h ARG 67 CO -0.21 0.56 -0.07 0.00 -1.51 0.00 0.00 179.97 178.73 3dup h ALA 68 N 1.09 -0.20 -0.18 2.80 0.00 -1.01 -2.55 119.26 119.20 3dup h ALA 68 Ca 0.17 -0.09 -0.11 0.00 0.00 0.00 0.00 54.91 54.87 3dup h ALA 68 Cb 0.09 0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.95 3dup h ALA 68 CO -0.02 -0.56 -0.37 0.28 0.00 0.00 0.00 179.25 178.58 3dup h VAL 69 N -0.32 1.30 -0.81 0.00 2.07 -1.17 -2.79 116.25 114.53 3dup h VAL 69 Ca -0.02 -1.48 0.03 0.00 0.82 0.00 0.00 66.70 66.05 3dup h VAL 69 Cb 0.25 1.57 -0.05 0.00 -1.52 0.00 0.00 31.29 31.55 3dup h VAL 69 CO 0.03 0.46 0.53 0.00 0.02 0.00 0.00 177.57 178.60 3dup h ALA 70 N 1.27 1.07 -0.41 1.67 0.00 -0.92 0.07 119.26 122.01 3dup h ALA 70 Ca 0.03 -0.04 -0.07 0.00 0.00 0.00 0.00 54.91 54.84 3dup h ALA 70 Cb 0.81 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 18.30 3dup h ALA 70 CO 0.07 0.36 -0.00 0.22 0.00 0.00 0.00 179.25 179.90 3dup h ASP 71 N 1.03 0.71 -0.15 0.00 3.58 -1.35 -0.79 116.42 119.45 3dup h ASP 71 Ca 0.32 -0.31 -0.00 0.00 0.42 0.00 0.00 57.03 57.46 3dup h ASP 71 Cb -0.01 -0.19 -0.01 0.00 1.72 0.00 0.00 39.33 40.84 3dup h ASP 71 CO -0.11 0.84 0.09 0.58 -2.88 0.00 0.00 179.24 177.77 3dup h VAL 72 N 0.56 1.07 -0.48 2.25 2.07 -1.18 -2.16 116.25 118.38 3dup h VAL 72 Ca 0.12 -0.18 0.06 0.00 0.82 0.00 0.00 66.70 67.52 3dup h VAL 72 Cb 0.48 0.92 -0.05 0.00 -1.52 0.00 0.00 31.29 31.11 3dup h VAL 72 CO 0.02 0.07 0.17 0.58 0.02 0.00 0.00 177.57 178.43 3dup h VAL 73 N 0.18 0.84 -0.51 2.57 2.07 -0.92 0.59 116.25 121.06 3dup h VAL 73 Ca 0.06 -0.12 0.10 0.00 0.82 0.00 0.00 66.70 67.56 3dup h VAL 73 Cb 0.03 0.46 -0.09 0.00 -1.52 0.00 0.00 31.29 30.17 3dup h VAL 73 CO -0.01 0.06 -0.08 0.44 0.02 0.00 0.00 177.57 178.00 3dup h ASP 74 N 0.35 -0.39 0.41 0.57 3.32 -0.83 0.11 116.42 119.96 3dup h ASP 74 Ca 0.23 0.14 -0.31 0.00 0.02 0.00 0.00 57.03 57.12 3dup h ASP 74 Cb 0.24 0.28 0.02 0.00 0.22 0.00 0.00 39.33 40.09 3dup h ASP 74 CO -0.23 -0.14 -1.35 0.03 -1.72 0.00 0.00 179.24 175.83 3dup h ARG 75 N 0.04 0.44 -0.92 3.56 3.08 -0.79 -1.03 114.38 118.76 3dup h ARG 75 Ca 0.25 -0.72 0.01 0.00 0.07 0.00 0.00 59.98 59.59 3dup h ARG 75 Cb 0.39 0.26 -0.05 0.00 0.08 0.00 0.00 29.97 30.65 3dup h ARG 75 CO -0.49 1.34 0.60 -0.07 -1.07 0.00 0.00 179.97 180.27 3dup h LEU 76 N 0.13 1.06 -0.38 3.04 3.38 -0.68 -1.35 115.31 120.51 3dup h LEU 76 Ca -0.20 -0.03 -0.12 0.00 0.09 0.00 0.00 57.88 57.62 3dup h LEU 76 Cb 2.05 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 42.53 3dup h LEU 76 CO 0.24 0.77 -0.22 0.00 0.09 0.00 0.00 178.44 179.32 3dup h ALA 77 N 1.42 0.54 -0.93 1.53 0.00 -0.68 0.11 119.26 121.25 3dup h ALA 77 Ca 0.33 -0.38 0.16 0.00 0.00 0.00 0.00 54.91 55.03 3dup h ALA 77 Cb -0.13 -0.13 -0.08 0.00 0.00 0.00 0.00 17.79 17.45 3dup h ALA 77 CO -0.07 0.52 0.60 -0.44 0.00 0.00 0.00 179.25 179.85 3dup h ASP 78 N 0.63 0.67 -0.05 0.00 3.32 -0.81 -0.93 116.42 119.25 3dup h ASP 78 Ca 0.08 0.05 0.00 0.00 0.02 0.00 0.00 57.03 57.18 3dup h ASP 78 Cb 0.78 -0.07 0.00 0.00 0.22 0.00 0.00 39.33 40.26 3dup h ASP 78 CO 0.06 0.31 0.00 -0.62 -1.72 0.00 0.00 179.24 177.27 3dup n GLU 79 N -4.60 1.39 -0.95 3.56 1.02 -0.54 -4.91 120.64 115.60 3dup n GLU 79 Ca 0.19 -0.58 0.00 0.00 -0.02 0.00 0.00 57.16 56.75 3dup n GLU 79 Cb 0.52 -1.43 0.00 0.00 -0.02 0.00 0.00 31.44 30.52 3dup n GLU 79 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3dup n GLY 80 N 1.05 0.50 0.13 0.62 0.00 -0.35 -4.96 105.19 102.19 3dup n GLY 80 Ca 0.19 -0.19 -0.21 0.00 0.00 0.00 0.00 46.02 45.81 3dup n GLY 80 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 3dup h VAL 81 N 0.00 0.98 -3.40 1.61 2.07 -0.99 -3.48 116.25 113.04 3dup h VAL 81 Ca 0.00 -2.59 -0.33 0.00 0.82 0.00 0.00 66.70 64.60 3dup h VAL 81 Cb 0.00 2.74 -0.15 0.00 -1.52 0.00 0.00 31.29 32.37 3dup h VAL 81 CO 0.00 0.84 -0.70 0.68 0.02 0.00 0.00 177.57 178.41 3dup s VAL 82 N -2.59 1.11 0.64 2.57 -7.23 -1.22 -4.98 120.40 108.69 3dup s VAL 82 Ca -0.14 -2.05 -0.18 0.00 -1.81 0.00 0.00 61.98 57.80 3dup s VAL 82 Cb 0.06 -1.97 -0.02 0.00 0.56 0.00 0.00 36.38 35.01 3dup s VAL 82 CO 0.85 -0.64 1.25 -2.65 -0.31 0.00 0.00 175.10 173.60 3dup n PRO 83 N -0.25 1.11 -2.31 4.82 -0.02 -1.26 -4.19 135.00 132.91 3dup n PRO 83 Ca -0.09 0.43 -0.41 0.00 -2.02 0.00 0.00 63.50 61.41 3dup n PRO 83 Cb 0.61 -2.48 -0.03 0.00 -0.02 0.00 0.00 33.50 31.58 3dup n PRO 83 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3dup s ALA 84 N -1.40 3.47 0.44 3.55 0.00 -1.26 -4.75 121.76 121.82 3dup s ALA 84 Ca 0.81 1.01 -0.25 0.00 0.00 0.00 0.00 51.96 53.53 3dup s ALA 84 Cb -0.39 -3.45 -0.08 0.00 0.00 0.00 0.00 23.12 19.20 3dup s ALA 84 CO 0.42 -0.45 1.43 -1.25 0.00 0.00 0.00 175.76 175.90 3dup s PRO 85 N -0.00 3.72 0.00 0.00 0.04 -1.26 -4.79 135.00 132.71 3dup s PRO 85 Ca 0.55 2.43 0.02 0.00 0.04 0.00 0.00 61.00 64.04 3dup s PRO 85 Cb -0.34 -2.68 0.01 0.00 0.04 0.00 0.00 34.50 31.53 3dup s PRO 85 CO 0.36 -0.79 0.43 0.54 0.04 0.00 0.00 177.00 177.58 3dup n ARG 86 N -0.14 1.01 0.00 4.56 1.74 -1.26 -5.04 116.66 117.54 3dup n ARG 86 Ca 0.05 -0.45 0.00 0.00 -0.77 0.00 0.00 57.85 56.67 3dup n ARG 86 Cb 0.42 -0.92 0.00 0.00 -1.02 0.00 0.00 32.46 30.94 3dup n ARG 86 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3dup n GLY 87 N 0.33 1.19 3.63 -0.13 0.00 -1.26 -5.08 105.19 103.87 3dup n GLY 87 Ca 0.01 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.62 3dup n GLY 87 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3dup s GLU 88 N -0.50 4.12 -0.08 1.61 2.12 -1.26 -5.02 118.70 119.70 3dup s GLU 88 Ca 0.00 0.56 -0.10 0.00 0.36 0.00 0.00 54.97 55.78 3dup s GLU 88 Cb 0.00 -3.64 -0.05 0.00 0.26 0.00 0.00 34.13 30.70 3dup s GLU 88 CO 0.00 -0.39 0.25 -0.51 -0.54 0.00 0.00 175.26 174.07 3dup s LEU 89 N 2.43 4.41 0.13 2.70 1.43 -1.26 -0.56 118.68 127.96 3dup s LEU 89 Ca 0.26 0.65 0.07 0.00 -1.03 0.00 0.00 54.13 54.09 3dup s LEU 89 Cb -0.16 -2.29 -0.04 0.00 0.03 0.00 0.00 46.19 43.74 3dup s LEU 89 CO 0.09 0.35 -0.08 -0.31 0.23 0.00 0.00 176.35 176.63 3dup s TYR 90 N -0.92 2.74 0.31 0.29 1.51 0.40 -1.04 117.35 120.64 3dup s TYR 90 Ca 0.18 -0.16 -0.28 0.00 -1.01 0.00 0.00 57.07 55.80 3dup s TYR 90 Cb -0.14 -1.40 -0.09 0.00 -0.11 0.00 0.00 41.96 40.22 3dup s TYR 90 CO 0.07 0.46 1.01 -0.98 -1.11 0.00 0.00 175.55 175.00 3dup s ARG 91 N -2.45 4.58 -0.25 -0.62 1.70 -1.26 -1.24 118.95 119.41 3dup s ARG 91 Ca 0.23 1.55 -0.05 0.00 -0.47 0.00 0.00 55.73 56.99 3dup s ARG 91 Cb -0.10 -2.98 -0.01 0.00 -0.57 0.00 0.00 34.95 31.28 3dup s ARG 91 CO 0.15 0.23 0.02 0.08 -1.08 0.00 0.00 175.30 174.70 3dup s VAL 92 N -1.38 3.78 0.33 4.99 1.01 -1.26 -4.89 120.40 122.98 3dup s VAL 92 Ca 0.48 -0.45 -0.06 0.00 0.00 0.00 0.00 61.98 61.95 3dup s VAL 92 Cb -0.25 -2.79 0.01 0.00 0.00 0.00 0.00 36.38 33.34 3dup s VAL 92 CO 0.32 0.32 0.51 0.54 0.00 0.00 0.00 175.10 176.79 3dup s ASN 93 N 1.52 0.59 0.18 3.32 2.20 -1.26 -0.56 114.94 120.93 3dup s ASN 93 Ca 0.05 -1.34 0.17 0.00 -0.94 0.00 0.00 52.86 50.81 3dup s ASN 93 Cb -0.15 0.67 -0.02 0.00 -2.00 0.00 0.00 41.25 39.75 3dup s ASN 93 CO 0.00 -1.31 1.11 1.56 -2.94 0.00 0.00 177.10 175.52 3dup h GLN 94 N 2.13 0.00 -1.89 3.55 4.20 -1.87 -3.43 115.11 117.79 3dup h GLN 94 Ca -0.29 0.00 0.25 0.00 0.06 0.00 0.00 58.65 58.68 3dup h GLN 94 Cb 1.24 0.00 -0.10 0.00 0.30 0.00 0.00 27.48 28.92 3dup h GLN 94 CO 0.39 0.29 0.66 -1.54 -0.67 0.00 0.00 178.83 177.95 3dup s SER 95 N -5.96 -0.12 0.23 1.46 1.04 -1.26 -5.05 113.70 104.04 3dup s SER 95 Ca 0.00 -0.27 -0.07 0.00 0.48 0.00 0.00 55.95 56.10 3dup s SER 95 Cb 0.08 0.33 0.32 0.00 0.10 0.00 0.00 66.02 66.85 3dup s SER 95 CO 0.78 -0.60 1.82 -0.25 0.98 0.00 0.00 173.24 175.96 3dup h TRP 96 N 2.00 0.81 0.00 5.02 2.91 -2.00 -1.65 115.95 123.04 3dup h TRP 96 Ca -0.27 0.03 -0.05 0.00 1.13 0.00 0.00 58.89 59.73 3dup h TRP 96 Cb 1.22 -0.25 -0.01 0.00 -0.51 0.00 0.00 29.16 29.61 3dup h TRP 96 CO 0.35 0.37 -0.24 0.78 -1.03 0.00 0.00 178.44 178.68 3dup h GLY 97 N 0.79 0.00 -1.25 2.65 0.00 -2.02 -3.47 103.07 99.77 3dup h GLY 97 Ca 0.35 0.00 -0.50 0.00 0.00 0.00 0.00 47.33 47.18 3dup h GLY 97 CO -0.20 0.00 0.35 -0.54 0.00 0.00 0.00 176.54 176.14 3dup s GLU 98 N -3.86 2.53 0.43 4.80 0.41 -0.62 -4.98 118.70 117.41 3dup s GLU 98 Ca -0.01 0.90 -0.26 0.00 -0.41 0.00 0.00 54.97 55.19 3dup s GLU 98 Cb 0.12 -1.95 -0.09 0.00 -1.78 0.00 0.00 34.13 30.43 3dup s GLU 98 CO 0.64 -1.38 1.41 -2.14 -0.49 0.00 0.00 175.26 173.30 3dup s PRO 99 N -5.05 3.82 -0.12 0.39 0.02 -1.26 -4.89 135.00 127.91 3dup s PRO 99 Ca 0.59 2.39 -0.29 0.00 0.02 0.00 0.00 61.00 63.71 3dup s PRO 99 Cb -0.15 -2.74 -0.04 0.00 0.02 0.00 0.00 34.50 31.60 3dup s PRO 99 CO 0.55 -0.70 1.51 0.99 -0.33 0.00 0.00 177.00 179.02 3dup s THR 100 N -1.20 3.85 -0.22 0.99 2.01 -1.26 -4.61 115.64 115.21 3dup s THR 100 Ca 0.59 1.02 0.19 0.00 0.31 0.00 0.00 61.69 63.80 3dup s THR 100 Cb -0.43 -3.70 0.03 0.00 0.01 0.00 0.00 72.50 68.41 3dup s THR 100 CO 0.56 -0.13 1.16 -0.07 -0.69 0.00 0.00 174.62 175.45 3dup h LEU 101 N 10.31 0.00 -9.26 4.42 3.38 -1.19 -3.46 115.31 119.50 3dup h LEU 101 Ca -0.34 0.00 -0.65 0.00 0.09 0.00 0.00 57.88 56.98 3dup h LEU 101 Cb 1.15 0.00 -0.16 0.00 0.09 0.00 0.00 40.66 41.74 3dup h LEU 101 CO 0.97 0.29 -0.74 -0.76 0.09 0.00 0.00 178.44 178.28 3dup s LEU 103 N -5.87 2.96 -0.07 1.67 1.43 -1.26 -4.10 118.68 113.44 3dup s LEU 103 Ca 0.01 -0.48 -0.05 0.00 -1.03 0.00 0.00 54.13 52.58 3dup s LEU 103 Cb 0.08 -1.73 0.03 0.00 0.03 0.00 0.00 46.19 44.60 3dup s LEU 103 CO 0.77 0.15 0.18 -0.22 0.23 0.00 0.00 176.35 177.46 3dup s LEU 104 N -2.43 0.99 0.27 1.79 2.96 -0.38 -4.59 118.68 117.30 3dup s LEU 104 Ca 0.22 0.37 -0.30 0.00 -0.22 0.00 0.00 54.13 54.20 3dup s LEU 104 Cb -0.10 0.57 -0.11 0.00 0.50 0.00 0.00 46.19 47.04 3dup s LEU 104 CO 0.14 -0.10 1.62 -0.62 -1.32 0.00 0.00 176.35 176.06 3dup s ASP 105 N 0.61 6.38 0.38 3.68 -1.08 -1.26 -0.45 116.67 124.92 3dup s ASP 105 Ca -0.04 2.92 0.17 0.00 -0.52 0.00 0.00 52.55 55.08 3dup s ASP 105 Cb -0.06 -2.63 1.08 0.00 -1.46 0.00 0.00 42.92 39.86 3dup s ASP 105 CO -0.03 -0.92 1.74 -0.09 0.52 0.00 0.00 175.17 176.38 3dup h ARG 106 N 5.30 0.39 0.00 4.34 2.43 -1.16 -1.44 114.38 124.24 3dup h ARG 106 Ca -0.46 -0.02 -0.01 0.00 -0.81 0.00 0.00 59.98 58.68 3dup h ARG 106 Cb 1.22 -0.09 -0.00 0.00 -0.42 0.00 0.00 29.97 30.68 3dup h ARG 106 CO 0.83 0.26 -0.05 0.00 -1.51 0.00 0.00 179.97 179.50 3dup h ALA 107 N 1.66 1.12 -0.19 2.80 0.00 -1.86 -1.77 119.26 121.02 3dup h ALA 107 Ca 0.64 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.51 3dup h ALA 107 Cb 1.56 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.35 3dup h ALA 107 CO -0.38 0.06 0.00 1.33 0.00 0.00 0.00 179.25 180.26 3dup n VAL 108 N -3.31 0.68 0.03 0.00 0.24 -0.56 -4.67 118.33 110.75 3dup n VAL 108 Ca -0.01 -0.84 -0.11 0.00 -2.04 0.00 0.00 64.34 61.33 3dup n VAL 108 Cb 0.21 0.72 -0.05 0.00 -1.47 0.00 0.00 33.84 33.24 3dup n VAL 108 CO 0.00 0.00 0.00 0.58 -2.14 0.00 0.00 176.83 175.27 3dup h VAL 109 N 1.60 0.85 0.00 3.34 2.07 -1.14 -1.97 116.25 121.00 3dup h VAL 109 Ca 0.00 0.00 -0.03 0.00 0.82 0.00 0.00 66.70 67.49 3dup h VAL 109 Cb 0.58 0.85 -0.00 0.00 -1.52 0.00 0.00 31.29 31.19 3dup h VAL 109 CO 0.00 0.00 -0.13 -0.65 0.02 0.00 0.00 177.57 176.81 3dup h PRO 110 N -0.08 0.00 -0.32 1.57 0.11 -1.78 -1.40 132.00 130.11 3dup h PRO 110 Ca 0.03 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 66.14 3dup h PRO 110 Cb 0.13 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 31.22 3dup h PRO 110 CO -0.08 0.13 0.18 1.15 -0.21 0.00 0.00 178.00 179.17 3dup h THR 111 N 0.00 1.10 -0.26 -1.15 2.02 -1.53 -1.52 112.91 111.56 3dup h THR 111 Ca -0.00 -0.24 0.00 0.00 0.77 0.00 0.00 66.41 66.94 3dup h THR 111 Cb 0.23 0.66 0.00 0.00 -1.74 0.00 0.00 68.15 67.30 3dup h THR 111 CO 0.02 0.10 0.00 0.49 0.37 0.00 0.00 175.52 176.50 3dup n PHE 112 N -4.46 0.33 -2.46 3.16 3.72 -0.87 -4.57 117.46 112.31 3dup n PHE 112 Ca 0.02 -0.16 -0.19 0.00 -0.05 0.00 0.00 57.45 57.06 3dup n PHE 112 Cb 0.09 0.00 -0.01 0.00 -0.94 0.00 0.00 39.48 38.62 3dup n PHE 112 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3dup n GLY 113 N 1.45 -0.50 3.76 1.37 0.00 -0.58 -0.94 105.19 109.75 3dup n GLY 113 Ca 0.18 0.01 -0.39 0.00 0.00 0.00 0.00 46.02 45.82 3dup n GLY 113 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3dup s VAL 114 N -2.96 4.14 0.22 1.61 1.01 -0.94 -3.63 120.40 119.85 3dup s VAL 114 Ca 0.02 1.97 -0.32 0.00 0.00 0.00 0.00 61.98 63.65 3dup s VAL 114 Cb -0.01 -4.20 -0.12 0.00 0.00 0.00 0.00 36.38 32.05 3dup s VAL 114 CO 0.03 0.36 1.71 0.54 0.00 0.00 0.00 175.10 177.74 3dup n ARG 115 N 1.13 2.79 -4.26 2.72 1.74 -1.26 -4.50 116.66 115.03 3dup n ARG 115 Ca -0.01 1.00 -0.28 0.00 -0.77 0.00 0.00 57.85 57.80 3dup n ARG 115 Cb 0.48 -2.85 -0.09 0.00 -1.02 0.00 0.00 32.46 28.98 3dup n ARG 115 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3dup s ALA 116 N 1.03 2.97 0.16 7.54 0.00 -1.06 -4.83 121.76 127.57 3dup s ALA 116 Ca 0.74 -1.37 0.08 0.00 0.00 0.00 0.00 51.96 51.40 3dup s ALA 116 Cb -0.50 -0.82 -0.04 0.00 0.00 0.00 0.00 23.12 21.76 3dup s ALA 116 CO 0.34 0.53 -0.18 0.71 0.00 0.00 0.00 175.76 177.17 3dup s TYR 117 N -1.51 1.75 0.21 0.00 2.02 -1.26 -1.05 117.35 117.50 3dup s TYR 117 Ca 0.24 -0.49 -0.22 0.00 -0.37 0.00 0.00 57.07 56.23 3dup s TYR 117 Cb -0.10 -0.88 0.05 0.00 -0.40 0.00 0.00 41.96 40.63 3dup s TYR 117 CO 0.15 0.30 0.68 0.20 -1.57 0.00 0.00 175.55 175.31 3dup s GLY 118 N -2.64 -0.35 -0.03 0.71 0.00 -0.82 -1.21 107.32 102.97 3dup s GLY 118 Ca 0.15 0.12 0.07 0.00 0.00 0.00 0.00 44.72 45.07 3dup s GLY 118 CO 0.06 0.04 -0.25 -1.34 0.00 0.00 0.00 173.10 171.61 3dup s VAL 119 N -3.79 2.01 -0.05 1.40 -7.23 -0.32 -0.76 120.40 111.67 3dup s VAL 119 Ca 0.06 -1.08 0.01 0.00 -1.81 0.00 0.00 61.98 59.16 3dup s VAL 119 Cb -0.03 -1.68 0.02 0.00 0.56 0.00 0.00 36.38 35.25 3dup s VAL 119 CO -0.03 0.57 -0.04 -1.00 -0.31 0.00 0.00 175.10 174.29 3dup s HIS 120 N -0.48 0.79 -0.17 2.82 3.76 -0.31 -1.16 115.29 120.54 3dup s HIS 120 Ca 0.06 -0.24 -0.04 0.00 -0.15 0.00 0.00 55.06 54.69 3dup s HIS 120 Cb -0.11 -0.73 -0.03 0.00 1.11 0.00 0.00 32.58 32.82 3dup s HIS 120 CO 0.00 -0.24 -0.02 -1.17 -0.85 0.00 0.00 174.74 172.47 3dup s LEU 121 N 1.16 3.31 -0.59 0.89 2.96 0.18 -1.06 118.68 125.53 3dup s LEU 121 Ca -0.07 -0.13 -0.19 0.00 -0.22 0.00 0.00 54.13 53.52 3dup s LEU 121 Cb -0.14 -1.81 0.10 0.00 0.50 0.00 0.00 46.19 44.84 3dup s LEU 121 CO -0.01 0.14 0.73 0.20 -1.32 0.00 0.00 176.35 176.08 3dup s ASN 122 N 0.54 6.18 -0.31 3.68 0.01 0.66 -3.93 114.94 121.76 3dup s ASN 122 Ca -0.02 -1.36 -0.16 0.00 -0.71 0.00 0.00 52.86 50.61 3dup s ASN 122 Cb -0.14 -2.31 -0.02 0.00 0.41 0.00 0.00 41.25 39.19 3dup s ASN 122 CO 0.02 -1.13 0.40 -0.83 -1.51 0.00 0.00 177.10 174.05 3dup s GLY 123 N 3.58 1.87 0.10 0.66 0.00 -1.26 -1.08 107.32 111.19 3dup s GLY 123 Ca 0.13 -0.99 0.01 0.00 0.00 0.00 0.00 44.72 43.86 3dup s GLY 123 CO 0.07 1.05 -0.03 -2.52 0.00 0.00 0.00 173.10 171.67 3dup s TYR 124 N 2.12 0.84 0.03 1.90 -0.85 -0.62 -0.80 117.35 119.98 3dup s TYR 124 Ca 0.15 -1.01 0.03 0.00 -0.52 0.00 0.00 57.07 55.72 3dup s TYR 124 Cb -0.16 -0.51 -0.02 0.00 0.38 0.00 0.00 41.96 41.65 3dup s TYR 124 CO 0.11 -0.27 -0.11 0.08 -1.52 0.00 0.00 175.55 173.85 3dup s VAL 125 N -3.76 0.81 0.00 -3.49 1.01 -0.03 0.28 120.40 115.23 3dup s VAL 125 Ca 0.14 -0.90 0.00 0.00 0.00 0.00 0.00 61.98 61.22 3dup s VAL 125 Cb 0.06 -0.77 0.00 0.00 0.00 0.00 0.00 36.38 35.67 3dup s VAL 125 CO -0.04 -0.10 0.00 0.61 0.00 0.00 0.00 175.10 175.57 3dup n GLY 126 N 1.92 -2.51 3.30 4.51 0.00 -1.26 -0.57 105.19 110.58 3dup n GLY 126 Ca -0.19 -1.65 -0.09 0.00 0.00 0.00 0.00 46.02 44.09 3dup n GLY 126 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3dup s ALA 127 N -1.09 -0.40 0.00 4.61 0.00 -1.26 -4.68 121.76 118.94 3dup s ALA 127 Ca 0.00 -0.51 0.00 0.00 0.00 0.00 0.00 51.96 51.45 3dup s ALA 127 Cb 0.00 0.67 0.00 0.00 0.00 0.00 0.00 23.12 23.79 3dup s ALA 127 CO 0.00 -0.60 0.00 0.41 0.00 0.00 0.00 175.76 175.57 3dup n GLY 128 N -0.17 3.45 0.16 0.00 0.00 -1.26 -1.51 105.19 105.86 3dup n GLY 128 Ca -0.13 0.02 0.12 0.00 0.00 0.00 0.00 46.02 46.03 3dup n GLY 128 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3dup h ALA 129 N -0.71 1.00 -0.30 4.61 0.00 -2.02 -2.73 119.26 119.10 3dup h ALA 129 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3dup h ALA 129 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.79 3dup h ALA 129 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 179.25 175.78 3dup n ASP 130 N -2.31 3.91 -4.67 0.00 2.03 -0.57 -4.99 116.55 109.94 3dup n ASP 130 Ca 0.00 -2.89 -0.42 0.00 0.52 0.00 0.00 54.79 52.00 3dup n ASP 130 Cb 0.15 -0.52 -0.03 0.00 -0.72 0.00 0.00 41.12 40.00 3dup n ASP 130 CO 0.00 0.00 0.00 -0.22 -1.92 0.00 0.00 177.20 175.06 3dup s LEU 131 N -2.60 4.32 -0.02 -2.67 2.96 -1.03 -4.17 118.68 115.47 3dup s LEU 131 Ca 0.41 2.21 0.07 0.00 -0.22 0.00 0.00 54.13 56.60 3dup s LEU 131 Cb 0.32 -3.55 -0.02 0.00 0.50 0.00 0.00 46.19 43.45 3dup s LEU 131 CO 0.10 -0.84 -0.22 -1.00 -1.32 0.00 0.00 176.35 173.07 3dup s HIS 132 N 3.21 1.99 -0.10 5.38 3.76 0.27 -0.24 115.29 129.55 3dup s HIS 132 Ca 0.69 -0.38 -0.01 0.00 -0.15 0.00 0.00 55.06 55.22 3dup s HIS 132 Cb -0.33 -1.28 -0.03 0.00 1.11 0.00 0.00 32.58 32.06 3dup s HIS 132 CO 0.28 -0.03 -0.07 -0.51 -0.85 0.00 0.00 174.74 173.56 3dup s LEU 133 N -0.54 3.12 -0.09 0.89 1.02 0.12 -0.85 118.68 122.35 3dup s LEU 133 Ca 0.09 -0.10 -0.29 0.00 0.02 0.00 0.00 54.13 53.85 3dup s LEU 133 Cb -0.09 -1.70 -0.02 0.00 0.02 0.00 0.00 46.19 44.40 3dup s LEU 133 CO -0.01 0.28 0.96 0.26 0.02 0.00 0.00 176.35 177.86 3dup s TRP 134 N -0.28 3.53 -0.05 0.29 0.52 0.02 -0.84 118.94 122.13 3dup s TRP 134 Ca 0.04 1.54 0.05 0.00 0.02 0.00 0.00 56.10 57.75 3dup s TRP 134 Cb -0.13 -3.13 -0.02 0.00 -1.15 0.00 0.00 33.47 29.04 3dup s TRP 134 CO 0.02 -0.17 -0.20 0.42 0.02 0.00 0.00 176.95 177.05 3dup s ILE 135 N 1.79 2.58 0.16 2.03 -1.09 -1.26 -4.63 121.20 120.78 3dup s ILE 135 Ca 0.47 -0.89 -0.02 0.00 -2.23 0.00 0.00 60.65 57.98 3dup s ILE 135 Cb -0.18 -1.98 -0.05 0.00 -1.58 0.00 0.00 42.46 38.67 3dup s ILE 135 CO 0.19 0.58 0.35 -0.83 -1.23 0.00 0.00 174.94 174.00 3dup s GLY 136 N -0.47 2.03 -0.19 6.18 0.00 -0.70 -4.35 107.32 109.82 3dup s GLY 136 Ca 0.06 -0.73 -0.03 0.00 0.00 0.00 0.00 44.72 44.01 3dup s GLY 136 CO 0.01 -0.68 -0.05 -1.60 0.00 0.00 0.00 173.10 170.79 3dup s ARG 137 N -2.93 3.49 0.53 2.90 3.52 0.13 -0.91 118.95 125.67 3dup s ARG 137 Ca 0.39 -0.59 -0.20 0.00 -0.13 0.00 0.00 55.73 55.19 3dup s ARG 137 Cb -0.12 -2.95 -0.06 0.00 -1.56 0.00 0.00 34.95 30.27 3dup s ARG 137 CO 0.27 -0.00 1.17 1.03 -0.81 0.00 0.00 175.30 176.96 3dup s ARG 138 N 0.99 3.39 0.57 5.12 0.52 0.23 0.64 118.95 130.41 3dup s ARG 138 Ca 0.00 1.74 -0.20 0.00 -0.52 0.00 0.00 55.73 56.75 3dup s ARG 138 Cb -0.15 -2.13 -0.04 0.00 0.52 0.00 0.00 34.95 33.16 3dup s ARG 138 CO 0.01 -0.85 1.25 0.45 0.02 0.00 0.00 175.30 176.18 3dup s SER 139 N -1.56 5.24 0.34 0.23 0.15 -0.46 -2.44 113.70 115.20 3dup s SER 139 Ca 0.71 2.51 0.25 0.00 0.70 0.00 0.00 55.95 60.12 3dup s SER 139 Cb -0.28 -2.61 1.21 0.00 -1.71 0.00 0.00 66.02 62.63 3dup s SER 139 CO 0.32 -1.57 1.77 -0.65 1.20 0.00 0.00 173.24 174.31 3dup h PRO 140 N 1.12 0.00 -0.00 5.44 0.11 -1.91 -2.61 132.00 134.15 3dup h PRO 140 Ca -0.51 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.60 3dup h PRO 140 Cb 1.30 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.41 3dup h PRO 140 CO 0.56 0.00 -0.12 -0.25 -0.21 0.00 0.00 178.00 177.98 3dup n ASP 141 N -2.39 0.30 -4.74 -2.05 8.00 -1.26 -4.74 116.55 109.67 3dup n ASP 141 Ca 0.00 -0.25 -0.42 0.00 0.71 0.00 0.00 54.79 54.83 3dup n ASP 141 Cb 0.14 -0.15 -0.02 0.00 -0.02 0.00 0.00 41.12 41.08 3dup n ASP 141 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 3dup n LYS 142 N -1.19 2.63 -0.28 -1.24 4.76 -0.99 -4.89 118.16 116.96 3dup n LYS 142 Ca 0.12 0.94 -0.05 0.00 -2.87 0.00 0.00 58.31 56.44 3dup n LYS 142 Cb 0.29 -2.70 0.06 0.00 -1.84 0.00 0.00 35.03 30.84 3dup n LYS 142 CO 0.00 0.00 0.00 1.03 -1.37 0.00 0.00 177.40 177.06 3dup h SER 143 N 4.68 0.96 -3.42 4.39 0.87 -1.92 -3.35 113.55 115.76 3dup h SER 143 Ca -0.47 -0.11 -0.66 0.00 -1.23 0.00 0.00 61.79 59.33 3dup h SER 143 Cb 1.23 -0.25 -0.22 0.00 -0.44 0.00 0.00 62.40 62.72 3dup h SER 143 CO 0.79 0.80 -0.70 -0.69 -0.53 0.00 0.00 176.83 176.49 3dup s VAL 144 N -5.80 3.59 -1.41 2.23 1.01 -1.26 -4.73 120.40 114.03 3dup s VAL 144 Ca -0.13 -0.48 -0.03 0.00 0.00 0.00 0.00 61.98 61.34 3dup s VAL 144 Cb 0.15 -2.53 0.02 0.00 0.00 0.00 0.00 36.38 34.03 3dup s VAL 144 CO 0.81 0.53 0.63 0.00 0.00 0.00 0.00 175.10 177.07 3dup n ALA 145 N 3.16 -1.85 -1.77 5.51 0.00 -1.26 -4.90 120.51 119.40 3dup n ALA 145 Ca -0.18 -0.14 -0.40 0.00 0.00 0.00 0.00 53.44 52.72 3dup n ALA 145 Cb 0.53 -2.23 -0.01 0.00 0.00 0.00 0.00 19.45 17.73 3dup n ALA 145 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 3dup s PRO 146 N -6.37 4.12 0.00 0.00 0.04 -1.26 -2.33 135.00 129.20 3dup s PRO 146 Ca 0.15 2.23 0.00 0.00 0.04 0.00 0.00 61.00 63.42 3dup s PRO 146 Cb -0.08 -2.89 0.00 0.00 0.04 0.00 0.00 34.50 31.57 3dup s PRO 146 CO 0.85 -0.40 0.00 0.41 0.04 0.00 0.00 177.00 177.91 3dup n GLY 147 N 0.69 0.90 3.88 0.56 0.00 -1.02 -4.91 105.19 105.28 3dup n GLY 147 Ca 0.02 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.74 3dup n GLY 147 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3dup s LYS 148 N -0.27 3.51 0.47 1.61 -0.14 -0.98 -4.51 119.74 119.42 3dup s LYS 148 Ca 0.00 0.63 -0.16 0.00 -1.36 0.00 0.00 55.97 55.08 3dup s LYS 148 Cb 0.00 -2.12 -0.08 0.00 -1.68 0.00 0.00 37.83 33.95 3dup s LYS 148 CO 0.00 -0.57 0.92 -0.51 -0.76 0.00 0.00 175.35 174.43 3dup s LEU 149 N -5.13 3.74 0.18 3.17 1.43 -0.50 -0.60 118.68 120.96 3dup s LEU 149 Ca 0.54 1.48 -0.12 0.00 -1.03 0.00 0.00 54.13 55.00 3dup s LEU 149 Cb -0.11 -4.38 0.00 0.00 0.03 0.00 0.00 46.19 41.73 3dup s LEU 149 CO 0.52 -0.49 0.38 -0.62 0.23 0.00 0.00 176.35 176.37 3dup s ASP 150 N -2.92 -0.07 0.00 2.29 -1.08 -0.09 -0.51 116.67 114.29 3dup s ASP 150 Ca 0.57 -0.74 0.00 0.00 -0.52 0.00 0.00 52.55 51.86 3dup s ASP 150 Cb -0.10 0.50 0.00 0.00 -1.46 0.00 0.00 42.92 41.86 3dup s ASP 150 CO 0.28 -0.97 0.00 0.59 0.52 0.00 0.00 175.17 175.59 3dup n ASN 151 N -0.27 0.00 -4.58 -0.34 4.13 -1.26 -1.73 115.26 111.21 3dup n ASN 151 Ca -0.08 0.00 -0.51 0.00 1.68 0.00 0.00 54.58 55.67 3dup n ASN 151 Cb 0.63 0.00 -0.05 0.00 -1.54 0.00 0.00 39.78 38.81 3dup n ASN 151 CO 0.00 0.00 0.00 0.52 0.28 0.00 0.00 177.26 178.06 3dup n VAL 153 N 0.00 0.29 -3.61 2.41 0.31 -1.25 -3.69 118.33 112.80 3dup n VAL 153 Ca 0.00 -0.07 -0.16 0.00 -0.01 0.00 0.00 64.34 64.10 3dup n VAL 153 Cb 0.00 -0.77 -0.07 0.00 -0.91 0.00 0.00 33.84 32.09 3dup n VAL 153 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3dup s ALA 154 N 0.24 -1.61 0.02 3.52 0.00 -1.26 -0.65 121.76 122.02 3dup s ALA 154 Ca 0.81 1.49 -0.28 0.00 0.00 0.00 0.00 51.96 53.98 3dup s ALA 154 Cb -0.94 -0.52 0.10 0.00 0.00 0.00 0.00 23.12 21.76 3dup s ALA 154 CO 0.49 -0.33 0.84 0.20 0.00 0.00 0.00 175.76 176.96 3dup s GLY 155 N -0.45 -0.49 0.79 0.00 0.00 -0.31 -5.00 107.32 101.85 3dup s GLY 155 Ca -0.06 0.95 -0.13 0.00 0.00 0.00 0.00 44.72 45.47 3dup s GLY 155 CO 0.05 0.33 1.19 -0.32 0.00 0.00 0.00 173.10 174.35 3dup s GLY 156 N -2.48 2.14 -0.36 0.20 0.00 -1.26 -1.17 107.32 104.38 3dup s GLY 156 Ca 0.04 0.78 -0.14 0.00 0.00 0.00 0.00 44.72 45.40 3dup s GLY 156 CO -0.09 1.19 0.27 1.62 0.00 0.00 0.00 173.10 176.09 3dup s GLN 157 N -4.16 3.34 0.59 2.90 2.00 -0.35 -4.77 119.66 119.20 3dup s GLN 157 Ca 0.72 -0.74 -0.16 0.00 -2.00 0.00 0.00 55.36 53.18 3dup s GLN 157 Cb -0.27 -3.86 -0.03 0.00 0.80 0.00 0.00 33.01 29.64 3dup s GLN 157 CO 0.49 -0.55 1.07 -1.25 -0.50 0.00 0.00 175.29 174.55 3dup s PRO 158 N 1.75 3.26 0.48 1.67 0.04 -1.26 -4.70 135.00 136.23 3dup s PRO 158 Ca 0.06 1.28 0.20 0.00 0.04 0.00 0.00 61.00 62.58 3dup s PRO 158 Cb -0.18 -2.02 1.21 0.00 0.04 0.00 0.00 34.50 33.55 3dup s PRO 158 CO 0.11 -0.87 1.97 0.00 0.04 0.00 0.00 177.00 178.24 3dup h ALA 159 N 0.50 2.28 -0.30 8.56 0.00 -1.39 -3.16 119.26 125.74 3dup h ALA 159 Ca -0.47 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.43 3dup h ALA 159 Cb 1.23 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.00 3dup h ALA 159 CO 0.57 -0.44 0.00 -0.40 0.00 0.00 0.00 179.25 178.98 3dup n ASP 160 N -4.43 3.01 -4.37 0.00 5.75 -1.26 -4.85 116.55 110.39 3dup n ASP 160 Ca 0.11 -1.93 -0.27 0.00 -0.01 0.00 0.00 54.79 52.69 3dup n ASP 160 Cb 0.53 -0.19 -0.12 0.00 -1.03 0.00 0.00 41.12 40.30 3dup n ASP 160 CO 0.00 0.00 0.00 -0.76 -0.11 0.00 0.00 177.20 176.33 3dup s LEU 161 N -1.56 2.36 0.94 -2.12 1.43 -1.20 -5.12 118.68 113.41 3dup s LEU 161 Ca 0.36 -0.78 -0.12 0.00 -1.03 0.00 0.00 54.13 52.57 3dup s LEU 161 Cb 0.21 -1.10 0.15 0.00 0.03 0.00 0.00 46.19 45.49 3dup s LEU 161 CO 0.30 0.12 1.09 -0.94 0.23 0.00 0.00 176.35 177.16 3dup s SER 162 N -2.24 3.16 0.15 2.29 1.04 -1.26 -4.84 113.70 112.00 3dup s SER 162 Ca 0.14 1.33 -0.13 0.00 0.48 0.00 0.00 55.95 57.78 3dup s SER 162 Cb -0.09 -2.01 0.03 0.00 0.10 0.00 0.00 66.02 64.06 3dup s SER 162 CO 0.07 -2.82 1.66 -0.07 0.98 0.00 0.00 173.24 173.06 3dup h LEU 163 N -1.67 0.78 -0.65 2.42 3.38 -1.99 -1.64 115.31 115.95 3dup h LEU 163 Ca -0.52 -0.23 -0.07 0.00 0.09 0.00 0.00 57.88 57.15 3dup h LEU 163 Cb 1.30 -0.21 -0.03 0.00 0.09 0.00 0.00 40.66 41.82 3dup h LEU 163 CO 0.56 0.81 0.13 -0.09 0.09 0.00 0.00 178.44 179.95 3dup h ARG 164 N 0.72 1.06 -0.28 1.13 9.65 -1.99 0.11 114.38 124.78 3dup h ARG 164 Ca 0.16 -0.27 -0.03 0.00 -1.10 0.00 0.00 59.98 58.74 3dup h ARG 164 Cb 0.34 -0.13 -0.01 0.00 -1.39 0.00 0.00 29.97 28.78 3dup h ARG 164 CO 0.00 0.97 0.06 1.96 2.80 0.00 0.00 179.97 185.76 3dup h GLN 165 N 0.98 0.46 -0.43 0.20 4.20 -1.91 -0.65 115.11 117.97 3dup h GLN 165 Ca 0.20 -0.12 -0.03 0.00 0.06 0.00 0.00 58.65 58.77 3dup h GLN 165 Cb 0.41 -0.06 -0.02 0.00 0.30 0.00 0.00 27.48 28.11 3dup h GLN 165 CO 0.01 0.55 0.16 -0.97 -0.67 0.00 0.00 178.83 177.91 3dup h ASN 166 N 0.29 0.60 -0.64 1.46 -1.24 -1.13 -1.44 115.58 113.47 3dup h ASN 166 Ca 0.09 -0.18 0.11 0.00 0.71 0.00 0.00 56.30 57.02 3dup h ASN 166 Cb 0.31 -0.16 -0.08 0.00 0.73 0.00 0.00 38.32 39.12 3dup h ASN 166 CO 0.00 0.62 0.23 0.25 -1.29 0.00 0.00 177.43 177.24 3dup h LEU 167 N 0.55 0.21 -0.34 0.34 5.85 -0.58 0.11 115.31 121.45 3dup h LEU 167 Ca 0.14 0.09 -0.01 0.00 0.84 0.00 0.00 57.88 58.94 3dup h LEU 167 Cb 0.21 0.07 -0.02 0.00 0.37 0.00 0.00 40.66 41.30 3dup h LEU 167 CO -0.01 0.12 0.18 0.40 -0.34 0.00 0.00 178.44 178.79 3dup h ILE 168 N 0.40 1.14 -0.38 4.05 2.04 -0.72 -0.31 117.51 123.73 3dup h ILE 168 Ca 0.33 -0.38 -0.02 0.00 1.00 0.00 0.00 64.86 65.79 3dup h ILE 168 Cb 0.44 0.77 -0.02 0.00 -0.74 0.00 0.00 36.82 37.27 3dup h ILE 168 CO -0.34 0.15 0.18 0.50 0.00 0.00 0.00 178.15 178.64 3dup h LYS 169 N 0.43 0.55 -0.41 2.37 3.64 -0.97 -2.50 116.57 119.69 3dup h LYS 169 Ca 0.12 -0.08 -0.08 0.00 -1.27 0.00 0.00 60.65 59.34 3dup h LYS 169 Cb 0.07 -0.10 -0.02 0.00 -0.41 0.00 0.00 32.23 31.78 3dup h LYS 169 CO -0.02 0.50 -0.07 0.93 -2.27 0.00 0.00 179.45 178.52 3dup h GLU 170 N 0.47 0.70 -0.61 1.90 4.39 -0.80 -1.10 114.58 119.52 3dup h GLU 170 Ca 0.13 -0.21 -0.00 0.00 0.34 0.00 0.00 59.36 59.62 3dup h GLU 170 Cb 0.13 -0.07 -0.03 0.00 -0.10 0.00 0.00 28.75 28.68 3dup h GLU 170 CO -0.02 0.76 0.37 0.00 -1.16 0.00 0.00 179.01 178.97 3dup h ALA 172 N 1.19 0.06 -0.29 0.00 0.00 -1.29 0.28 119.26 119.21 3dup h ALA 172 Ca 0.22 -0.29 -0.16 0.00 0.00 0.00 0.00 54.91 54.68 3dup h ALA 172 Cb -0.02 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.75 3dup h ALA 172 CO -0.04 -0.14 -0.47 0.93 0.00 0.00 0.00 179.25 179.53 3dup h GLU 173 N -0.38 0.77 0.00 0.00 5.08 -1.06 -2.22 114.58 116.76 3dup h GLU 173 Ca 0.00 -0.44 -0.30 0.00 -1.00 0.00 0.00 59.36 57.62 3dup h GLU 173 Cb 0.58 0.03 -0.05 0.00 0.50 0.00 0.00 28.75 29.81 3dup h GLU 173 CO 0.01 1.07 -1.83 0.39 -1.00 0.00 0.00 179.01 177.65 3dup n GLU 174 N -4.02 0.64 0.00 2.33 1.02 0.40 -1.01 120.64 120.00 3dup n GLU 174 Ca -0.03 0.24 0.00 0.00 -0.02 0.00 0.00 57.16 57.35 3dup n GLU 174 Cb 0.58 -1.74 0.00 0.00 -0.02 0.00 0.00 31.44 30.26 3dup n GLU 174 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3dup n ALA 175 N -2.59 0.70 -3.66 0.62 0.00 -1.03 -4.20 120.51 110.35 3dup n ALA 175 Ca -0.20 -0.22 -0.25 0.00 0.00 0.00 0.00 53.44 52.78 3dup n ALA 175 Cb 1.07 0.00 0.07 0.00 0.00 0.00 0.00 19.45 20.58 3dup n ALA 175 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 3dup n ASP 176 N -0.02 -5.65 -4.44 0.00 2.03 -0.84 -1.41 116.55 106.22 3dup n ASP 176 Ca 0.00 -0.61 -0.40 0.00 0.52 0.00 0.00 54.79 54.31 3dup n ASP 176 Cb 0.24 -4.76 -0.11 0.00 -0.72 0.00 0.00 41.12 35.77 3dup n ASP 176 CO 0.00 0.00 0.00 -0.22 -1.92 0.00 0.00 177.20 175.06 3dup s LEU 177 N -7.24 4.38 0.77 -2.67 2.96 0.04 -4.74 118.68 112.18 3dup s LEU 177 Ca 0.56 -0.63 -0.11 0.00 -0.22 0.00 0.00 54.13 53.73 3dup s LEU 177 Cb -0.25 -2.04 0.06 0.00 0.50 0.00 0.00 46.19 44.45 3dup s LEU 177 CO 0.76 -0.26 1.09 -2.16 -1.32 0.00 0.00 176.35 174.46 3dup s PRO 178 N 1.62 2.25 0.27 0.98 0.04 -1.26 -2.81 135.00 136.09 3dup s PRO 178 Ca 0.04 1.20 -0.01 0.00 0.04 0.00 0.00 61.00 62.27 3dup s PRO 178 Cb -0.18 -1.89 0.50 0.00 0.04 0.00 0.00 34.50 32.97 3dup s PRO 178 CO 0.07 -1.65 1.81 1.49 0.04 0.00 0.00 177.00 178.76 3dup h GLU 179 N -1.07 0.83 -0.85 4.56 4.81 -1.98 -0.75 114.58 120.13 3dup h GLU 179 Ca -0.44 -0.05 0.01 0.00 -0.13 0.00 0.00 59.36 58.75 3dup h GLU 179 Cb 1.23 -0.19 -0.04 0.00 0.63 0.00 0.00 28.75 30.38 3dup h GLU 179 CO 0.51 0.55 0.56 0.00 -0.73 0.00 0.00 179.01 179.91 3dup h ALA 180 N 1.51 1.08 -0.01 2.92 0.00 -2.00 -0.20 119.26 122.56 3dup h ALA 180 Ca 0.46 -0.06 -0.04 0.00 0.00 0.00 0.00 54.91 55.27 3dup h ALA 180 Cb 0.48 -0.35 0.00 0.00 0.00 0.00 0.00 17.79 17.93 3dup h ALA 180 CO -0.28 0.49 -0.16 -0.07 0.00 0.00 0.00 179.25 179.23 3dup h LEU 181 N 1.15 0.17 -1.42 0.00 3.38 -1.80 -3.30 115.31 113.48 3dup h LEU 181 Ca 0.31 -0.72 0.22 0.00 0.09 0.00 0.00 57.88 57.78 3dup h LEU 181 Cb -0.13 -0.05 -0.08 0.00 0.09 0.00 0.00 40.66 40.49 3dup h LEU 181 CO -0.07 0.86 0.63 0.00 0.09 0.00 0.00 178.44 179.95 3dup h ALA 182 N 0.31 2.17 0.00 1.53 0.00 -0.95 -0.29 119.26 122.03 3dup h ALA 182 Ca -0.02 0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.92 3dup h ALA 182 Cb 0.88 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.65 3dup h ALA 182 CO 0.03 -0.50 -0.03 0.00 0.00 0.00 0.00 179.25 178.75 3dup h ARG 183 N 0.44 0.00 0.00 0.00 3.08 -1.12 -2.71 114.38 114.07 3dup h ARG 183 Ca 0.52 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.57 3dup h ARG 183 Cb 1.26 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.31 3dup h ARG 183 CO -0.23 0.03 0.00 1.04 -1.07 0.00 0.00 179.97 179.74 3dup n GLN 184 N -3.14 0.24 -1.77 0.04 6.02 -0.12 -4.85 117.38 113.80 3dup n GLN 184 Ca 0.00 0.28 -0.42 0.00 -0.01 0.00 0.00 57.00 56.86 3dup n GLN 184 Cb 0.30 -1.82 -0.02 0.00 1.02 0.00 0.00 30.24 29.72 3dup n GLN 184 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 3dup s ALA 185 N -3.17 3.76 -0.07 -1.58 0.00 -1.02 -4.91 121.76 114.77 3dup s ALA 185 Ca 0.09 1.58 -0.00 0.00 0.00 0.00 0.00 51.96 53.62 3dup s ALA 185 Cb 0.11 -3.65 -0.03 0.00 0.00 0.00 0.00 23.12 19.55 3dup s ALA 185 CO 0.53 -0.98 -0.03 0.96 0.00 0.00 0.00 175.76 176.23 3dup s ILE 186 N 0.09 4.01 0.35 0.00 -4.36 -0.05 -4.91 121.20 116.34 3dup s ILE 186 Ca 0.64 -0.40 -0.27 0.00 -0.26 0.00 0.00 60.65 60.36 3dup s ILE 186 Cb -0.48 -2.68 -0.09 0.00 1.25 0.00 0.00 42.46 40.46 3dup s ILE 186 CO 0.47 0.57 1.17 -2.16 0.24 0.00 0.00 174.94 175.23 3dup s PRO 187 N -0.94 4.30 0.00 0.37 0.04 -1.26 -1.34 135.00 136.16 3dup s PRO 187 Ca 0.14 1.88 0.00 0.00 0.04 0.00 0.00 61.00 63.06 3dup s PRO 187 Cb -0.11 -2.90 0.00 0.00 0.04 0.00 0.00 34.50 31.53 3dup s PRO 187 CO 0.03 -0.12 0.38 1.33 0.04 0.00 0.00 177.00 178.66 3dup n VAL 188 N 0.54 0.14 0.00 -0.36 0.24 -0.23 -4.89 118.33 113.77 3dup n VAL 188 Ca 0.02 -0.29 0.00 0.00 -2.04 0.00 0.00 64.34 62.03 3dup n VAL 188 Cb 0.45 1.31 0.00 0.00 -1.47 0.00 0.00 33.84 34.13 3dup n VAL 188 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3dup n GLY 189 N -0.07 0.93 3.28 7.63 0.00 -1.24 -4.98 105.19 110.74 3dup n GLY 189 Ca 0.00 -1.93 -0.12 0.00 0.00 0.00 0.00 46.02 43.97 3dup n GLY 189 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3dup s ALA 190 N -1.11 -0.81 -0.04 4.61 0.00 -1.26 -1.05 121.76 122.10 3dup s ALA 190 Ca 0.00 0.07 0.04 0.00 0.00 0.00 0.00 51.96 52.08 3dup s ALA 190 Cb 0.00 0.39 -0.02 0.00 0.00 0.00 0.00 23.12 23.49 3dup s ALA 190 CO 0.00 -0.47 -0.16 0.42 0.00 0.00 0.00 175.76 175.55 3dup s ILE 191 N -2.77 2.90 -0.02 0.00 1.01 0.00 -4.90 121.20 117.42 3dup s ILE 191 Ca -0.03 -0.79 0.05 0.00 0.00 0.00 0.00 60.65 59.87 3dup s ILE 191 Cb -0.00 -2.12 -0.01 0.00 0.01 0.00 0.00 42.46 40.34 3dup s ILE 191 CO -0.05 0.59 -0.16 0.42 0.00 0.00 0.00 174.94 175.74 3dup s THR 192 N -0.72 1.31 0.20 2.92 -4.23 -0.44 -0.23 115.64 114.45 3dup s THR 192 Ca 0.11 -0.69 -0.04 0.00 -1.18 0.00 0.00 61.69 59.89 3dup s THR 192 Cb -0.10 -1.11 -0.03 0.00 1.34 0.00 0.00 72.50 72.60 3dup s THR 192 CO 0.00 0.38 0.21 -0.72 -0.54 0.00 0.00 174.62 173.95 3dup s TYR 193 N -0.21 0.87 -0.00 3.99 -0.85 -0.54 -0.80 117.35 119.81 3dup s TYR 193 Ca 0.02 -1.15 -0.06 0.00 -0.52 0.00 0.00 57.07 55.36 3dup s TYR 193 Cb -0.08 -0.33 -0.00 0.00 0.38 0.00 0.00 41.96 41.92 3dup s TYR 193 CO 0.00 -0.71 0.11 0.00 -1.52 0.00 0.00 175.55 173.43 3dup s GLU 196 N -1.22 3.54 0.46 0.00 2.12 -0.05 -3.56 118.70 119.99 3dup s GLU 196 Ca -0.13 -0.59 0.05 0.00 0.36 0.00 0.00 54.97 54.66 3dup s GLU 196 Cb -0.07 -2.82 -0.03 0.00 0.26 0.00 0.00 34.13 31.47 3dup s GLU 196 CO 0.01 0.19 0.16 -1.54 -0.54 0.00 0.00 175.26 173.55 3dup s SER 197 N 0.46 4.33 0.35 -1.70 1.04 0.55 -4.94 113.70 113.79 3dup s SER 197 Ca -0.06 -1.29 0.11 0.00 0.48 0.00 0.00 55.95 55.19 3dup s SER 197 Cb -0.15 -0.04 0.89 0.00 0.10 0.00 0.00 66.02 66.82 3dup s SER 197 CO 0.04 -0.72 1.80 -0.65 0.98 0.00 0.00 173.24 174.68 3dup h PRO 198 N 1.31 0.59 -0.01 4.02 0.11 -2.01 -2.94 132.00 133.07 3dup h PRO 198 Ca -0.42 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.65 3dup h PRO 198 Cb 1.28 -0.13 0.00 0.00 0.11 0.00 0.00 31.00 32.25 3dup h PRO 198 CO 0.70 0.39 -0.17 0.00 -0.21 0.00 0.00 178.00 178.71 3dup n ALA 199 N -2.41 2.81 0.00 -0.75 0.00 -1.26 -5.07 120.51 113.83 3dup n ALA 199 Ca 0.22 -0.54 0.00 0.00 0.00 0.00 0.00 53.44 53.12 3dup n ALA 199 Cb 0.65 -0.48 0.00 0.00 0.00 0.00 0.00 19.45 19.62 3dup n ALA 199 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3dup n GLY 200 N 0.95 -0.52 3.03 0.00 0.00 -1.11 -4.13 105.19 103.41 3dup n GLY 200 Ca 0.07 0.16 -0.20 0.00 0.00 0.00 0.00 46.02 46.05 3dup n GLY 200 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3dup s ILE 201 N 0.00 0.83 -0.46 -0.61 1.01 -0.96 -0.33 121.20 120.68 3dup s ILE 201 Ca 0.00 -0.42 0.03 0.00 0.00 0.00 0.00 60.65 60.26 3dup s ILE 201 Cb 0.00 -0.71 0.13 0.00 0.01 0.00 0.00 42.46 41.89 3dup s ILE 201 CO 0.00 0.24 0.22 -0.54 0.00 0.00 0.00 174.94 174.86 3dup s LYS 202 N -0.08 1.62 -0.96 2.79 1.02 -1.26 -4.29 119.74 118.57 3dup s LYS 202 Ca 0.01 -2.25 -0.16 0.00 0.02 0.00 0.00 55.97 53.60 3dup s LYS 202 Cb -0.06 -2.90 0.17 0.00 -0.52 0.00 0.00 37.83 34.52 3dup s LYS 202 CO -0.00 -1.10 1.09 -1.25 -0.92 0.00 0.00 175.35 173.17 3dup s PRO 203 N 0.17 3.73 0.04 -1.68 0.05 -1.26 -4.06 135.00 131.99 3dup s PRO 203 Ca 0.16 -2.18 0.02 0.00 0.05 0.00 0.00 61.00 59.04 3dup s PRO 203 Cb -0.24 -4.79 -0.04 0.00 0.05 0.00 0.00 34.50 29.48 3dup s PRO 203 CO -0.02 -1.61 0.07 -0.51 0.05 0.00 0.00 177.00 174.98 3dup s ASP 204 N 2.96 5.54 -0.14 6.66 1.01 -0.21 -2.56 116.67 129.94 3dup s ASP 204 Ca 0.31 0.05 0.02 0.00 0.71 0.00 0.00 52.55 53.64 3dup s ASP 204 Cb -0.06 -1.52 0.01 0.00 1.01 0.00 0.00 42.92 42.36 3dup s ASP 204 CO -0.08 0.22 -0.21 -0.89 0.21 0.00 0.00 175.17 174.43 3dup s THR 205 N -1.28 1.96 -0.30 -1.27 2.01 -0.22 -1.46 115.64 115.08 3dup s THR 205 Ca 0.26 -0.92 -0.07 0.00 0.31 0.00 0.00 61.69 61.27 3dup s THR 205 Cb -0.12 -1.74 0.01 0.00 0.01 0.00 0.00 72.50 70.66 3dup s THR 205 CO 0.18 0.53 0.09 -0.76 -0.69 0.00 0.00 174.62 173.97 3dup s LEU 206 N 0.87 3.94 -0.02 4.42 1.43 0.68 -1.94 118.68 128.05 3dup s LEU 206 Ca -0.06 -0.73 -0.28 0.00 -1.03 0.00 0.00 54.13 52.02 3dup s LEU 206 Cb -0.15 -1.90 -0.03 0.00 0.03 0.00 0.00 46.19 44.14 3dup s LEU 206 CO -0.02 -0.21 0.91 -0.36 0.23 0.00 0.00 176.35 176.90 3dup s PHE 207 N 1.51 3.63 -0.03 0.29 0.08 0.06 -0.82 117.98 122.70 3dup s PHE 207 Ca 0.02 1.58 0.01 0.00 0.12 0.00 0.00 56.93 58.67 3dup s PHE 207 Cb -0.17 -3.04 -0.03 0.00 -0.57 0.00 0.00 43.02 39.20 3dup s PHE 207 CO 0.03 0.01 -0.04 -0.51 -0.10 0.00 0.00 175.22 174.60 3dup s LEU 208 N 1.00 3.29 0.03 -0.37 1.43 -0.21 -1.16 118.68 122.68 3dup s LEU 208 Ca 0.48 -0.04 0.03 0.00 -1.03 0.00 0.00 54.13 53.56 3dup s LEU 208 Cb -0.20 -1.82 -0.02 0.00 0.03 0.00 0.00 46.19 44.18 3dup s LEU 208 CO 0.25 0.32 -0.08 -0.31 0.23 0.00 0.00 176.35 176.76 3dup s TYR 209 N -0.95 0.72 -0.03 0.29 2.02 -0.23 -1.07 117.35 118.10 3dup s TYR 209 Ca 0.16 -0.33 0.06 0.00 -0.37 0.00 0.00 57.07 56.58 3dup s TYR 209 Cb -0.11 -0.43 -0.02 0.00 -0.40 0.00 0.00 41.96 40.99 3dup s TYR 209 CO 0.06 -0.03 -0.20 -0.51 -1.57 0.00 0.00 175.55 173.29 3dup s ASP 210 N -1.01 3.55 -0.05 2.29 1.11 -0.45 -0.25 116.67 121.86 3dup s ASP 210 Ca -0.04 -0.33 -0.02 0.00 0.18 0.00 0.00 52.55 52.35 3dup s ASP 210 Cb -0.07 -0.60 0.03 0.00 1.07 0.00 0.00 42.92 43.35 3dup s ASP 210 CO 0.00 0.33 0.04 -0.22 1.18 0.00 0.00 175.17 176.50 3dup s LEU 211 N -0.68 0.35 -0.44 1.23 2.96 -0.24 -0.87 118.68 120.99 3dup s LEU 211 Ca 0.11 0.02 -0.29 0.00 -0.22 0.00 0.00 54.13 53.75 3dup s LEU 211 Cb -0.10 -0.25 0.03 0.00 0.50 0.00 0.00 46.19 46.37 3dup s LEU 211 CO -0.00 -0.22 1.13 0.00 -1.32 0.00 0.00 176.35 175.93 3dup s ALA 212 N 2.04 3.24 0.28 5.97 0.00 -1.26 -1.59 121.76 130.45 3dup s ALA 212 Ca 0.04 -0.36 -0.05 0.00 0.00 0.00 0.00 51.96 51.59 3dup s ALA 212 Cb -0.12 -3.84 -0.05 0.00 0.00 0.00 0.00 23.12 19.11 3dup s ALA 212 CO -0.04 -2.07 0.55 -0.51 0.00 0.00 0.00 175.76 173.69 3dup s LEU 213 N 4.27 4.07 0.52 0.00 1.43 0.14 -4.97 118.68 124.15 3dup s LEU 213 Ca 0.48 0.70 -0.22 0.00 -1.03 0.00 0.00 54.13 54.06 3dup s LEU 213 Cb -0.09 -3.51 -0.06 0.00 0.03 0.00 0.00 46.19 42.57 3dup s LEU 213 CO 0.28 -0.19 1.28 -2.84 0.23 0.00 0.00 176.35 175.11 3dup s PRO 214 N -3.54 3.35 0.46 1.29 0.02 -1.26 -4.68 135.00 130.64 3dup s PRO 214 Ca 0.44 2.05 0.22 0.00 0.02 0.00 0.00 61.00 63.73 3dup s PRO 214 Cb -0.11 -2.29 1.22 0.00 0.02 0.00 0.00 34.50 33.34 3dup s PRO 214 CO 0.30 -0.97 1.87 0.93 -0.33 0.00 0.00 177.00 178.80 3dup h GLU 215 N 1.63 0.25 -0.01 5.54 4.39 -1.97 -1.82 114.58 122.59 3dup h GLU 215 Ca -0.50 -0.02 0.00 0.00 0.34 0.00 0.00 59.36 59.18 3dup h GLU 215 Cb 1.28 -0.06 0.00 0.00 -0.10 0.00 0.00 28.75 29.87 3dup h GLU 215 CO 0.58 0.17 -0.18 -0.40 -1.16 0.00 0.00 179.01 178.02 3dup n ASP 216 N -4.44 1.61 -4.76 1.42 5.75 -1.26 -4.91 116.55 109.97 3dup n ASP 216 Ca 0.19 -1.34 -0.41 0.00 -0.01 0.00 0.00 54.79 53.22 3dup n ASP 216 Cb 0.78 0.14 -0.03 0.00 -1.03 0.00 0.00 41.12 40.98 3dup n ASP 216 CO 0.00 0.00 0.00 0.12 -0.11 0.00 0.00 177.20 177.21 3dup s PHE 217 N -2.28 3.15 -0.09 2.11 5.36 -0.69 -5.04 117.98 120.51 3dup s PHE 217 Ca 0.28 1.36 -0.00 0.00 -0.96 0.00 0.00 56.93 57.61 3dup s PHE 217 Cb 0.20 -3.63 0.02 0.00 -0.34 0.00 0.00 43.02 39.27 3dup s PHE 217 CO 0.44 -1.80 -0.06 1.03 -1.46 0.00 0.00 175.22 173.37 3dup s ARG 218 N -1.21 1.30 0.37 10.12 1.81 -1.26 -4.98 118.95 125.10 3dup s ARG 218 Ca 0.51 -0.18 -0.27 0.00 -1.72 0.00 0.00 55.73 54.07 3dup s ARG 218 Cb -0.38 -1.39 -0.09 0.00 -0.45 0.00 0.00 34.95 32.64 3dup s ARG 218 CO 0.47 -0.23 1.25 -1.25 -0.68 0.00 0.00 175.30 174.86 3dup s PRO 219 N 1.60 4.19 0.01 3.54 0.04 -1.26 -4.98 135.00 138.15 3dup s PRO 219 Ca 0.02 2.07 0.06 0.00 0.04 0.00 0.00 61.00 63.19 3dup s PRO 219 Cb -0.13 -2.89 -0.02 0.00 0.04 0.00 0.00 34.50 31.50 3dup s PRO 219 CO -0.06 -0.28 -0.18 -1.01 0.04 0.00 0.00 177.00 175.51 3dup s HIS 220 N -1.24 1.60 -1.31 0.56 3.76 -0.50 -4.86 115.29 113.30 3dup s HIS 220 Ca 0.53 -0.33 -0.09 0.00 -0.15 0.00 0.00 55.06 55.02 3dup s HIS 220 Cb -0.36 -0.99 -0.09 0.00 1.11 0.00 0.00 32.58 32.25 3dup s HIS 220 CO 0.47 0.02 2.99 0.27 -0.85 0.00 0.00 174.74 177.65 3dup n ASN 221 N 2.26 8.09 -0.34 1.40 6.94 -1.26 -2.59 115.26 129.77 3dup n ASN 221 Ca -0.16 -2.65 0.00 0.00 -0.02 0.00 0.00 54.58 51.76 3dup n ASN 221 Cb 0.54 -1.50 0.06 0.00 -2.36 0.00 0.00 39.78 36.52 3dup n ASN 221 CO 0.00 0.00 0.00 0.74 -1.03 0.00 0.00 177.26 176.97 3dup h THR 222 N 2.77 0.05 -0.09 5.53 2.02 -1.73 -0.03 112.91 121.42 3dup h THR 222 Ca 0.74 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.92 3dup h THR 222 Cb 0.48 0.05 0.00 0.00 -1.74 0.00 0.00 68.15 66.94 3dup h THR 222 CO 1.49 0.00 0.00 -0.90 0.37 0.00 0.00 175.52 176.48 3dup n ASP 223 N -5.51 1.84 0.00 4.18 5.75 -0.18 -4.95 116.55 117.68 3dup n ASP 223 Ca 0.11 -1.65 0.00 0.00 -0.01 0.00 0.00 54.79 53.23 3dup n ASP 223 Cb 0.42 -0.05 0.00 0.00 -1.03 0.00 0.00 41.12 40.46 3dup n ASP 223 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3dup n GLY 224 N 1.20 0.30 0.93 6.12 0.00 -0.03 -5.09 105.19 108.63 3dup n GLY 224 Ca 0.18 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.20 3dup n GLY 224 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3dup n GLU 225 N -1.23 0.20 0.00 1.61 1.02 -1.26 -4.63 120.64 116.34 3dup n GLU 225 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.14 3dup n GLU 225 Cb 0.20 -1.36 0.00 0.00 -0.02 0.00 0.00 31.44 30.26 3dup n GLU 225 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3dup n ALA 227 N 0.83 2.27 -3.83 0.62 0.00 0.21 -1.35 120.51 119.26 3dup n ALA 227 Ca 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 53.44 53.39 3dup n ALA 227 Cb 0.09 0.41 0.01 0.00 0.00 0.00 0.00 19.45 19.96 3dup n ALA 227 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 3dup s ASP 228 N -4.14 -0.06 0.08 0.00 -1.08 -1.20 -4.98 116.67 105.28 3dup s ASP 228 Ca 0.00 -0.69 0.01 0.00 -0.52 0.00 0.00 52.55 51.34 3dup s ASP 228 Cb 0.00 0.58 -0.00 0.00 -1.46 0.00 0.00 42.92 42.04 3dup s ASP 228 CO 0.00 -1.13 0.03 0.49 0.52 0.00 0.00 175.17 175.08 3dup n PHE 229 N -0.59 0.03 -3.59 -5.34 3.72 -1.26 -0.69 117.46 109.74 3dup n PHE 229 Ca -0.05 -0.49 -0.18 0.00 -0.05 0.00 0.00 57.45 56.68 3dup n PHE 229 Cb 0.60 -0.00 -0.15 0.00 -0.94 0.00 0.00 39.48 38.99 3dup n PHE 229 CO 0.00 0.00 0.00 -1.17 -0.05 0.00 0.00 176.76 175.54 3dup s LEU 231 N 0.00 -0.04 0.12 4.37 2.96 -1.26 -4.97 118.68 119.85 3dup s LEU 231 Ca 0.04 0.00 0.10 0.00 -0.22 0.00 0.00 54.13 54.05 3dup s LEU 231 Cb 0.00 0.27 -0.04 0.00 0.50 0.00 0.00 46.19 46.92 3dup s LEU 231 CO 0.03 -0.29 -0.25 0.26 -1.32 0.00 0.00 176.35 174.77 3dup s TRP 232 N 2.29 2.35 0.41 5.38 0.52 -0.02 -4.93 118.94 124.95 3dup s TRP 232 Ca 0.04 -0.36 -0.26 0.00 0.02 0.00 0.00 56.10 55.54 3dup s TRP 232 Cb -0.14 -1.28 -0.10 0.00 -1.15 0.00 0.00 33.47 30.80 3dup s TRP 232 CO -0.09 0.33 1.42 -2.30 0.02 0.00 0.00 176.95 176.32 3dup n PRO 233 N 0.99 2.34 -0.28 4.98 -0.02 -1.26 0.13 135.00 141.88 3dup n PRO 233 Ca -0.17 0.83 0.05 0.00 -2.02 0.00 0.00 63.50 62.18 3dup n PRO 233 Cb 0.53 -2.58 0.19 0.00 -0.02 0.00 0.00 33.50 31.62 3dup n PRO 233 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3dup h ALA 234 N 2.51 1.16 -0.66 3.55 0.00 -0.93 -1.49 119.26 123.39 3dup h ALA 234 Ca -0.50 0.08 0.03 0.00 0.00 0.00 0.00 54.91 54.52 3dup h ALA 234 Cb 1.26 -0.01 -0.04 0.00 0.00 0.00 0.00 17.79 19.00 3dup h ALA 234 CO 0.62 -0.08 0.44 0.00 0.00 0.00 0.00 179.25 180.22 3dup h ALA 235 N 1.51 1.61 -0.52 0.00 0.00 -1.90 -1.33 119.26 118.64 3dup h ALA 235 Ca 0.42 -0.03 -0.06 0.00 0.00 0.00 0.00 54.91 55.23 3dup h ALA 235 Cb 0.55 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 18.09 3dup h ALA 235 CO -0.34 0.33 0.07 -0.22 0.00 0.00 0.00 179.25 179.09 3dup h LYS 236 N 0.81 0.84 -0.10 0.00 3.64 -1.64 -0.03 116.57 120.09 3dup h LYS 236 Ca 0.26 -0.20 -0.02 0.00 -1.27 0.00 0.00 60.65 59.42 3dup h LYS 236 Cb 0.04 -0.11 -0.00 0.00 -0.41 0.00 0.00 32.23 31.74 3dup h LYS 236 CO -0.07 0.79 -0.01 0.28 -2.27 0.00 0.00 179.45 178.17 3dup h VAL 237 N 0.79 1.27 -0.45 2.00 2.07 -1.09 -0.62 116.25 120.22 3dup h VAL 237 Ca 0.16 -0.89 -0.00 0.00 0.82 0.00 0.00 66.70 66.80 3dup h VAL 237 Cb 0.38 1.67 -0.02 0.00 -1.52 0.00 0.00 31.29 31.79 3dup h VAL 237 CO 0.01 0.25 0.27 0.58 0.02 0.00 0.00 177.57 178.70 3dup h VAL 238 N -0.12 1.14 -0.14 2.57 2.07 -1.11 -1.85 116.25 118.81 3dup h VAL 238 Ca 0.03 -0.32 -0.12 0.00 0.82 0.00 0.00 66.70 67.11 3dup h VAL 238 Cb 0.40 0.54 -0.01 0.00 -1.52 0.00 0.00 31.29 30.70 3dup h VAL 238 CO 0.01 0.14 -0.42 -0.33 0.02 0.00 0.00 177.57 176.99 3dup h GLU 239 N 0.60 0.32 -0.86 1.57 4.39 -0.98 -0.54 114.58 119.09 3dup h GLU 239 Ca 0.16 -0.16 0.04 0.00 0.34 0.00 0.00 59.36 59.74 3dup h GLU 239 Cb -0.00 0.00 -0.05 0.00 -0.10 0.00 0.00 28.75 28.59 3dup h GLU 239 CO -0.03 0.69 0.55 0.00 -1.16 0.00 0.00 179.01 179.06 3dup h ALA 240 N 1.29 1.14 -0.35 3.43 0.00 -0.75 -1.69 119.26 122.33 3dup h ALA 240 Ca 0.02 -0.03 -0.17 0.00 0.00 0.00 0.00 54.91 54.73 3dup h ALA 240 Cb 0.86 -0.28 -0.00 0.00 0.00 0.00 0.00 17.79 18.37 3dup h ALA 240 CO 0.07 0.37 -0.45 0.28 0.00 0.00 0.00 179.25 179.52 3dup h VAL 241 N 1.05 1.27 -0.88 0.00 2.07 -0.97 -0.70 116.25 118.09 3dup h VAL 241 Ca 0.35 -1.63 0.01 0.00 0.82 0.00 0.00 66.70 66.25 3dup h VAL 241 Cb 0.04 1.47 -0.04 0.00 -1.52 0.00 0.00 31.29 31.24 3dup h VAL 241 CO -0.13 0.54 0.58 -0.09 0.02 0.00 0.00 177.57 178.50 3dup h ARG 242 N 0.73 1.15 -0.00 1.57 2.43 -0.72 -3.34 114.38 116.20 3dup h ARG 242 Ca 0.04 -0.07 0.00 0.00 -0.81 0.00 0.00 59.98 59.14 3dup h ARG 242 Cb 1.05 -0.26 0.00 0.00 -0.42 0.00 0.00 29.97 30.34 3dup h ARG 242 CO 0.11 0.76 -0.00 0.25 -1.51 0.00 0.00 179.97 179.58 3dup n THR 243 N -4.48 0.00 -4.35 0.20 -2.24 -0.67 -2.31 114.28 100.43 3dup n THR 243 Ca 0.10 -0.50 -0.19 0.00 -2.27 0.00 0.00 64.05 61.19 3dup n THR 243 Cb 0.02 1.00 -0.09 0.00 -2.10 0.00 0.00 70.33 69.17 3dup n THR 243 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 3dup s THR 244 N -0.14 0.39 -0.34 4.28 -4.23 -0.27 -4.78 115.64 110.54 3dup s THR 244 Ca 0.00 -2.00 0.07 0.00 -1.18 0.00 0.00 61.69 58.58 3dup s THR 244 Cb 0.00 -2.52 0.49 0.00 1.34 0.00 0.00 72.50 71.81 3dup s THR 244 CO 0.00 0.00 1.48 -0.62 -0.54 0.00 0.00 174.62 174.94 3dup n GLU 245 N -0.60 2.38 0.11 3.99 -0.58 -1.26 -4.64 120.64 120.03 3dup n GLU 245 Ca 0.00 -3.45 -0.00 0.00 -0.42 0.00 0.00 57.16 53.29 3dup n GLU 245 Cb 0.65 -1.99 0.30 0.00 -0.57 0.00 0.00 31.44 29.82 3dup n GLU 245 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 3dup h ALA 246 N 1.42 1.28 -2.51 0.62 0.00 -1.96 -3.45 119.26 114.66 3dup h ALA 246 Ca 0.31 -0.33 -0.54 0.00 0.00 0.00 0.00 54.91 54.36 3dup h ALA 246 Cb 1.52 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 19.19 3dup h ALA 246 CO 0.64 0.49 -0.06 -0.06 0.00 0.00 0.00 179.25 180.26 3dup s PHE 247 N -4.38 3.49 0.40 0.00 0.08 -1.26 -1.41 117.98 114.90 3dup s PHE 247 Ca -0.05 1.01 -0.25 0.00 0.12 0.00 0.00 56.93 57.76 3dup s PHE 247 Cb 0.14 -2.35 -0.11 0.00 -0.57 0.00 0.00 43.02 40.13 3dup s PHE 247 CO 0.75 0.30 1.00 1.17 -0.10 0.00 0.00 175.22 178.34 3dup n LYS 248 N 0.18 1.34 -0.24 0.44 4.81 0.34 -4.78 118.16 120.25 3dup n LYS 248 Ca -0.01 0.48 0.04 0.00 -0.87 0.00 0.00 58.31 57.95 3dup n LYS 248 Cb 0.52 -2.00 0.14 0.00 0.02 0.00 0.00 35.03 33.72 3dup n LYS 248 CO 0.00 0.00 0.00 0.27 1.17 0.00 0.00 177.40 178.84 3dup h PHE 249 N 1.61 -0.00 0.00 5.64 -5.15 -1.95 -1.20 116.94 115.89 3dup h PHE 249 Ca -0.44 0.05 0.00 0.00 -0.20 0.00 0.00 57.97 57.39 3dup h PHE 249 Cb 1.34 0.11 0.00 0.00 0.22 0.00 0.00 35.95 37.62 3dup h PHE 249 CO 0.44 -0.20 -0.73 -2.95 -2.00 0.00 0.00 178.31 172.88 3dup h ASN 250 N 0.13 0.00 0.03 -0.68 7.08 -1.97 -3.20 115.58 116.96 3dup h ASN 250 Ca 0.38 -0.09 -0.05 0.00 -3.08 0.00 0.00 56.30 53.46 3dup h ASN 250 Cb 0.66 0.00 -0.01 0.00 -2.08 0.00 0.00 38.32 36.89 3dup h ASN 250 CO -0.60 0.05 -0.13 0.58 -2.08 0.00 0.00 177.43 175.24 3dup h VAL 251 N 0.00 1.18 -0.78 6.14 2.07 -1.57 -2.02 116.25 121.27 3dup h VAL 251 Ca 0.00 -0.78 0.18 0.00 0.82 0.00 0.00 66.70 66.92 3dup h VAL 251 Cb 0.89 1.22 -0.12 0.00 -1.52 0.00 0.00 31.29 31.75 3dup h VAL 251 CO 0.00 0.24 0.16 0.78 0.02 0.00 0.00 177.57 178.77 3dup h ASN 252 N 0.22 -0.06 -0.55 0.57 2.35 -1.50 -1.11 115.58 115.49 3dup h ASN 252 Ca 0.05 0.17 -0.00 0.00 -0.55 0.00 0.00 56.30 55.96 3dup h ASN 252 Cb 0.37 0.25 -0.03 0.00 0.05 0.00 0.00 38.32 38.96 3dup h ASN 252 CO 0.02 -0.10 0.34 -0.07 -1.65 0.00 0.00 177.43 175.97 3dup h LEU 253 N 0.22 0.66 -1.26 1.61 3.38 -1.53 -1.49 115.31 116.89 3dup h LEU 253 Ca 0.46 -0.05 -0.04 0.00 0.09 0.00 0.00 57.88 58.34 3dup h LEU 253 Cb 0.83 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 41.39 3dup h LEU 253 CO -0.58 0.51 0.09 0.71 0.09 0.00 0.00 178.44 179.26 3dup h THR 254 N 0.75 1.19 -0.30 0.22 1.35 -1.28 -1.10 112.91 113.72 3dup h THR 254 Ca 0.20 -0.67 -0.08 0.00 -0.55 0.00 0.00 66.41 65.31 3dup h THR 254 Cb -0.03 0.78 -0.01 0.00 -1.73 0.00 0.00 68.15 67.16 3dup h THR 254 CO -0.04 0.24 -0.12 0.58 -0.25 0.00 0.00 175.52 175.94 3dup h VAL 255 N 0.59 1.29 -0.55 6.82 2.07 -0.88 -0.93 116.25 124.66 3dup h VAL 255 Ca 0.13 -1.20 0.02 0.00 0.82 0.00 0.00 66.70 66.48 3dup h VAL 255 Cb 0.24 1.43 -0.03 0.00 -1.52 0.00 0.00 31.29 31.40 3dup h VAL 255 CO -0.00 0.38 0.34 0.40 0.02 0.00 0.00 177.57 178.71 3dup h ILE 256 N 0.38 1.08 -0.35 4.57 2.04 -1.03 0.14 117.51 124.34 3dup h ILE 256 Ca 0.07 -0.23 0.01 0.00 1.00 0.00 0.00 64.86 65.71 3dup h ILE 256 Cb 0.63 0.34 -0.02 0.00 -0.74 0.00 0.00 36.82 37.03 3dup h ILE 256 CO 0.04 0.12 0.22 -0.78 0.00 0.00 0.00 178.15 177.75 3dup h ASP 257 N 0.68 0.36 -0.47 1.72 3.58 -1.15 -1.03 116.42 120.12 3dup h ASP 257 Ca 0.21 -0.00 0.04 0.00 0.42 0.00 0.00 57.03 57.70 3dup h ASP 257 Cb -0.01 -0.08 -0.04 0.00 1.72 0.00 0.00 39.33 40.92 3dup h ASP 257 CO -0.08 0.26 0.24 0.15 -2.88 0.00 0.00 179.24 176.93 3dup h PHE 258 N 0.44 0.44 -0.80 0.28 3.57 -0.84 -0.90 116.94 119.13 3dup h PHE 258 Ca 0.14 0.02 0.05 0.00 3.53 0.00 0.00 57.97 61.70 3dup h PHE 258 Cb -0.02 -0.13 -0.05 0.00 2.79 0.00 0.00 35.95 38.54 3dup h PHE 258 CO -0.07 0.22 0.50 0.00 -2.23 0.00 0.00 178.31 176.73 3dup h ALA 259 N 1.24 1.07 -0.13 2.41 0.00 -0.52 -0.42 119.26 122.92 3dup h ALA 259 Ca 0.20 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 55.09 3dup h ALA 259 Cb 0.10 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.65 3dup h ALA 259 CO -0.14 0.26 0.04 0.82 0.00 0.00 0.00 179.25 180.24 3dup h ILE 260 N 0.94 1.17 0.00 0.00 2.04 -0.86 0.37 117.51 121.18 3dup h ILE 260 Ca 0.34 -0.53 -0.08 0.00 1.00 0.00 0.00 64.86 65.58 3dup h ILE 260 Cb 0.10 1.29 -0.01 0.00 -0.74 0.00 0.00 36.82 37.45 3dup h ILE 260 CO -0.14 0.16 -0.40 0.03 0.00 0.00 0.00 178.15 177.80 3dup h ARG 261 N 0.03 0.00 -0.66 2.37 3.08 -0.92 -2.89 114.38 115.38 3dup h ARG 261 Ca 0.04 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.09 3dup h ARG 261 Cb 0.21 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.26 3dup h ARG 261 CO -0.00 0.40 0.00 0.72 -1.07 0.00 0.00 179.97 180.02 3dup n HIS 262 N -3.69 1.17 -1.79 3.04 8.25 -0.19 -4.96 115.22 117.06 3dup n HIS 262 Ca -0.01 -0.56 -0.10 0.00 -0.26 0.00 0.00 57.72 56.79 3dup n HIS 262 Cb 0.49 -0.12 -0.02 0.00 1.12 0.00 0.00 29.99 31.46 3dup n HIS 262 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3dup n GLY 263 N 1.30 0.50 0.12 -1.41 0.00 -0.92 -4.91 105.19 99.86 3dup n GLY 263 Ca 0.24 -0.51 0.01 0.00 0.00 0.00 0.00 46.02 45.76 3dup n GLY 263 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 3dup h LEU 264 N 0.00 0.00 -9.07 0.99 3.38 -0.52 -3.44 115.31 106.65 3dup h LEU 264 Ca -0.22 0.00 -0.66 0.00 0.09 0.00 0.00 57.88 57.09 3dup h LEU 264 Cb 0.94 0.00 -0.18 0.00 0.09 0.00 0.00 40.66 41.51 3dup h LEU 264 CO 0.29 0.57 -0.81 0.27 0.09 0.00 0.00 178.44 178.85 3dup s ILE 265 N -2.92 2.53 -0.05 1.22 -4.36 -1.15 -5.02 121.20 111.44 3dup s ILE 265 Ca 0.01 -1.88 -0.00 0.00 -0.26 0.00 0.00 60.65 58.52 3dup s ILE 265 Cb 0.08 -2.20 0.03 0.00 1.25 0.00 0.00 42.46 41.61 3dup s ILE 265 CO 0.78 -0.06 -0.02 -0.62 0.24 0.00 0.00 174.94 175.26 3dup s ASP 266 N -2.56 1.12 0.37 4.36 -1.08 -1.26 -4.78 116.67 112.84 3dup s ASP 266 Ca 0.20 -0.09 0.26 0.00 -0.52 0.00 0.00 52.55 52.40 3dup s ASP 266 Cb -0.09 -0.40 1.32 0.00 -1.46 0.00 0.00 42.92 42.29 3dup s ASP 266 CO 0.10 -0.12 1.78 1.55 0.52 0.00 0.00 175.17 179.00 3dup h PRO 267 N 7.68 0.00 0.00 4.34 0.13 -2.01 0.08 132.00 142.23 3dup h PRO 267 Ca -0.31 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.82 3dup h PRO 267 Cb 1.14 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.27 3dup h PRO 267 CO 0.38 0.00 0.00 -0.44 -0.23 0.00 0.00 178.00 177.71 3dup h ASP 268 N 0.00 0.00 0.00 1.44 3.32 -2.05 -3.39 116.42 115.74 3dup h ASP 268 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 3dup h ASP 268 Cb 0.08 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.63 3dup h ASP 268 CO 0.00 0.00 0.00 -0.46 -1.72 0.00 0.00 179.24 177.06 3dup n ASN 269 N -3.04 0.00 -4.64 6.45 6.94 -0.51 -5.06 115.26 115.41 3dup n ASN 269 Ca 0.01 -0.01 -0.43 0.00 -0.02 0.00 0.00 54.58 54.13 3dup n ASN 269 Cb 0.30 0.00 -0.02 0.00 -2.36 0.00 0.00 39.78 37.69 3dup n ASN 269 CO 0.00 0.00 0.00 -0.70 -1.03 0.00 0.00 177.26 175.53 3dup s GLU 270 N 0.00 4.02 0.37 -3.83 2.56 -0.10 -5.00 118.70 116.72 3dup s GLU 270 Ca 0.00 1.14 -0.27 0.00 0.00 0.00 0.00 54.97 55.84 3dup s GLU 270 Cb 0.00 -3.79 -0.11 0.00 2.00 0.00 0.00 34.13 32.23 3dup s GLU 270 CO 0.00 -0.98 1.23 -2.30 -0.56 0.00 0.00 175.26 172.66 3dup n PRO 271 N 7.03 1.92 -2.33 4.30 -0.02 -1.26 -3.12 135.00 141.52 3dup n PRO 271 Ca 0.13 0.68 -0.20 0.00 -2.02 0.00 0.00 63.50 62.08 3dup n PRO 271 Cb 0.47 -2.28 -0.02 0.00 -0.02 0.00 0.00 33.50 31.65 3dup n PRO 271 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 3dup n ASP 272 N 0.58 -5.77 -0.08 2.55 8.00 -1.26 -4.90 116.55 115.67 3dup n ASP 272 Ca 0.06 0.04 -0.07 0.00 0.71 0.00 0.00 54.79 55.54 3dup n ASP 272 Cb 0.37 -4.83 -0.00 0.00 -0.02 0.00 0.00 41.12 36.64 3dup n ASP 272 CO 0.00 0.00 0.00 0.22 -0.39 0.00 0.00 177.20 177.03 3dup h TYR 273 N 0.00 -0.42 -0.69 1.24 3.20 -1.92 -0.57 116.97 117.81 3dup h TYR 273 Ca -0.48 0.04 -0.07 0.00 3.14 0.00 0.00 58.73 61.36 3dup h TYR 273 Cb 1.36 0.24 -0.03 0.00 1.54 0.00 0.00 36.73 39.83 3dup h TYR 273 CO 0.57 -0.25 0.16 1.96 -1.64 0.00 0.00 178.16 178.96 3dup h GLN 274 N -0.13 1.10 -0.49 1.82 4.20 -1.90 -1.88 115.11 117.84 3dup h GLN 274 Ca 0.16 -0.27 -0.10 0.00 0.06 0.00 0.00 58.65 58.50 3dup h GLN 274 Cb 0.38 -0.14 -0.02 0.00 0.30 0.00 0.00 27.48 28.00 3dup h GLN 274 CO -0.39 0.98 -0.12 1.49 -0.67 0.00 0.00 178.83 180.13 3dup h GLU 275 N 1.03 0.90 -0.13 1.46 4.81 -1.81 -1.02 114.58 119.82 3dup h GLU 275 Ca 0.21 -0.32 0.02 0.00 -0.13 0.00 0.00 59.36 59.14 3dup h GLU 275 Cb 0.38 -0.06 -0.02 0.00 0.63 0.00 0.00 28.75 29.68 3dup h GLU 275 CO 0.00 0.97 0.02 0.82 -0.73 0.00 0.00 179.01 180.09 3dup h ILE 276 N 0.81 0.94 -0.64 2.32 2.04 -0.90 -1.55 117.51 120.52 3dup h ILE 276 Ca 0.13 -0.02 0.00 0.00 1.00 0.00 0.00 64.86 65.97 3dup h ILE 276 Cb 0.64 0.86 -0.03 0.00 -0.74 0.00 0.00 36.82 37.55 3dup h ILE 276 CO 0.04 0.01 0.41 -0.07 0.00 0.00 0.00 178.15 178.55 3dup h LEU 277 N 0.07 0.75 -0.55 1.44 4.07 -1.22 -2.16 115.31 117.71 3dup h LEU 277 Ca 0.06 -0.03 0.02 0.00 0.08 0.00 0.00 57.88 58.00 3dup h LEU 277 Cb 0.05 -0.19 -0.03 0.00 1.08 0.00 0.00 40.66 41.57 3dup h LEU 277 CO -0.08 0.56 0.34 0.00 -1.08 0.00 0.00 178.44 178.18 3dup h ALA 278 N 1.22 0.70 0.00 1.53 0.00 -1.06 -2.63 119.26 119.02 3dup h ALA 278 Ca 0.23 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.12 3dup h ALA 278 Cb -0.08 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 17.53 3dup h ALA 278 CO -0.05 0.08 0.00 0.78 0.00 0.00 0.00 179.25 180.06 3dup h GLY 279 N 0.69 0.00 2.00 0.00 0.00 -0.93 -2.35 103.07 102.48 3dup h GLY 279 Ca 0.21 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.54 3dup h GLY 279 CO -0.08 0.00 0.00 1.04 0.00 0.00 0.00 176.54 177.50 3dup n LEU 280 N -2.99 0.57 -1.31 3.11 4.77 -0.84 -2.21 117.00 118.09 3dup n LEU 280 Ca 0.02 0.59 -0.05 0.00 -0.03 0.00 0.00 56.01 56.54 3dup n LEU 280 Cb 0.35 -0.46 0.22 0.00 -2.33 0.00 0.00 43.42 41.20 3dup n LEU 280 CO 0.28 -0.31 0.80 0.54 -1.33 0.00 0.00 177.39 177.37 3dup n ARG 281 N -2.08 2.23 -2.16 3.23 5.12 -0.89 -1.33 116.66 120.79 3dup n ARG 281 Ca 0.04 -3.09 -0.41 0.00 -1.93 0.00 0.00 57.85 52.46 3dup n ARG 281 Cb 0.32 -1.90 -0.03 0.00 -1.16 0.00 0.00 32.46 29.69 3dup n ARG 281 CO 0.00 0.00 0.00 0.20 -1.93 0.00 0.00 177.63 175.90 3dup s GLY 282 N -2.15 2.44 0.00 -0.13 0.00 0.02 -4.80 107.32 102.70 3dup s GLY 282 Ca 0.47 1.17 0.00 0.00 0.00 0.00 0.00 44.72 46.36 3dup s GLY 282 CO 0.04 2.12 0.28 0.54 0.00 0.00 0.00 173.10 176.08