#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2isa n LYS 4 N 0.00 1.33 -2.33 1.43 5.02 -1.26 -5.05 118.16 117.30 2isa n LYS 4 Ca 0.00 -1.45 -0.42 0.00 -2.02 0.00 0.00 58.31 54.42 2isa n LYS 4 Cb 0.00 -1.23 -0.03 0.00 -0.02 0.00 0.00 35.03 33.75 2isa n LYS 4 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 2isa s LYS 5 N -0.94 4.40 0.09 1.97 1.02 -1.26 -4.99 119.74 120.04 2isa s LYS 5 Ca 0.16 1.89 -0.30 0.00 0.02 0.00 0.00 55.97 57.74 2isa s LYS 5 Cb 0.10 -3.30 -0.05 0.00 -0.52 0.00 0.00 37.83 34.06 2isa s LYS 5 CO 0.14 -0.30 0.98 -1.17 -0.92 0.00 0.00 175.35 174.09 2isa s LEU 6 N 0.90 4.47 0.32 3.17 2.96 -1.26 -5.04 118.68 124.21 2isa s LEU 6 Ca 0.60 1.79 0.04 0.00 -0.22 0.00 0.00 54.13 56.34 2isa s LEU 6 Cb -0.32 -3.59 -0.06 0.00 0.50 0.00 0.00 46.19 42.72 2isa s LEU 6 CO 0.31 -0.12 0.05 0.42 -1.32 0.00 0.00 176.35 175.68 2isa s THR 7 N 0.21 1.21 0.85 3.68 -4.23 -1.26 -1.71 115.64 114.38 2isa s THR 7 Ca 0.48 -2.00 -0.13 0.00 -1.18 0.00 0.00 61.69 58.86 2isa s THR 7 Cb -0.23 -2.78 0.11 0.00 1.34 0.00 0.00 72.50 70.94 2isa s THR 7 CO 0.30 -0.02 1.20 0.42 -0.54 0.00 0.00 174.62 175.98 2isa s THR 8 N -3.29 2.00 0.56 3.99 -4.23 0.66 -4.80 115.64 110.52 2isa s THR 8 Ca 0.36 0.00 0.34 0.00 -1.18 0.00 0.00 61.69 61.21 2isa s THR 8 Cb 0.09 -2.97 0.37 0.00 1.34 0.00 0.00 72.50 71.33 2isa s THR 8 CO 0.15 0.00 2.25 0.00 -0.54 0.00 0.00 174.62 176.48 2isa h ALA 9 N -1.21 1.29 -0.01 3.99 0.00 -2.01 0.80 119.26 122.11 2isa h ALA 9 Ca -0.46 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.43 2isa h ALA 9 Cb 1.32 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.10 2isa h ALA 9 CO 0.61 0.03 -0.04 0.00 0.00 0.00 0.00 179.25 179.85 2isa n ALA 10 N -2.23 2.68 -0.46 0.00 0.00 -1.26 -4.94 120.51 114.30 2isa n ALA 10 Ca -0.03 -0.31 0.00 0.00 0.00 0.00 0.00 53.44 53.10 2isa n ALA 10 Cb 0.12 -1.33 0.00 0.00 0.00 0.00 0.00 19.45 18.24 2isa n ALA 10 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2isa n GLY 11 N 1.16 0.76 3.72 0.00 0.00 0.27 -5.06 105.19 106.04 2isa n GLY 11 Ca 0.19 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.79 2isa n GLY 11 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2isa n PRO 13 N 3.46 1.97 -3.49 0.00 -0.02 -1.26 -0.24 135.00 135.41 2isa n PRO 13 Ca 0.06 0.70 -0.38 0.00 -2.02 0.00 0.00 63.50 61.85 2isa n PRO 13 Cb 0.48 -2.27 -0.10 0.00 -0.02 0.00 0.00 33.50 31.60 2isa n PRO 13 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 2isa s VAL 14 N -0.79 5.24 0.00 -1.45 1.01 -0.69 -4.78 120.40 118.94 2isa s VAL 14 Ca 0.60 0.38 -0.01 0.00 0.00 0.00 0.00 61.98 62.94 2isa s VAL 14 Cb -0.61 -3.61 -0.27 0.00 0.00 0.00 0.00 36.38 31.88 2isa s VAL 14 CO 0.58 0.21 0.85 0.00 0.00 0.00 0.00 175.10 176.74 2isa h ALA 15 N 8.22 0.34 -3.41 5.51 0.00 -1.93 -3.46 119.26 124.52 2isa h ALA 15 Ca -0.33 -1.14 -0.57 0.00 0.00 0.00 0.00 54.91 52.86 2isa h ALA 15 Cb 1.18 0.29 -0.39 0.00 0.00 0.00 0.00 17.79 18.86 2isa h ALA 15 CO 0.60 1.20 -0.77 -1.01 0.00 0.00 0.00 179.25 179.27 2isa s HIS 16 N -2.62 1.82 0.00 0.00 3.76 -1.26 -4.95 115.29 112.04 2isa s HIS 16 Ca -0.08 -1.48 0.00 0.00 -0.15 0.00 0.00 55.06 53.35 2isa s HIS 16 Cb 0.07 -1.46 0.00 0.00 1.11 0.00 0.00 32.58 32.30 2isa s HIS 16 CO 0.84 -0.74 0.94 -1.71 -0.85 0.00 0.00 174.74 173.22 2isa n ASN 17 N 4.83 1.82 -0.03 1.40 5.15 -1.26 -4.72 115.26 122.44 2isa n ASN 17 Ca -0.08 -1.88 -0.03 0.00 -0.60 0.00 0.00 54.58 51.99 2isa n ASN 17 Cb 0.45 0.00 -0.04 0.00 -0.53 0.00 0.00 39.78 39.65 2isa n ASN 17 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2isa n GLN 18 N -0.44 2.63 -4.30 1.20 1.13 -1.26 -5.03 117.38 111.31 2isa n GLN 18 Ca 0.00 0.00 -0.22 0.00 -1.94 0.00 0.00 57.00 54.85 2isa n GLN 18 Cb 0.25 -1.15 -0.16 0.00 0.11 0.00 0.00 30.24 29.28 2isa n GLN 18 CO 0.00 0.00 0.00 -0.80 -1.44 0.00 0.00 177.06 174.82 2isa s ASN 19 N -3.87 1.28 0.66 1.08 0.01 -1.26 -5.15 114.94 107.69 2isa s ASN 19 Ca -0.04 -0.19 -0.13 0.00 -0.71 0.00 0.00 52.86 51.79 2isa s ASN 19 Cb 0.02 -0.59 -0.01 0.00 0.41 0.00 0.00 41.25 41.08 2isa s ASN 19 CO 0.23 -0.03 1.06 0.68 -1.51 0.00 0.00 177.10 177.54 2isa s VAL 20 N 0.86 3.89 -0.10 1.60 -7.23 -1.26 -4.94 120.40 113.23 2isa s VAL 20 Ca -0.12 0.72 -0.30 0.00 -1.81 0.00 0.00 61.98 60.48 2isa s VAL 20 Cb -0.15 -3.36 -0.02 0.00 0.56 0.00 0.00 36.38 33.42 2isa s VAL 20 CO 0.01 -0.70 1.08 -1.58 -0.31 0.00 0.00 175.10 173.60 2isa s GLN 21 N -4.64 4.38 0.27 4.82 0.74 -1.26 -5.03 119.66 118.95 2isa s GLN 21 Ca 0.60 1.48 0.06 0.00 0.05 0.00 0.00 55.36 57.56 2isa s GLN 21 Cb -0.15 -3.56 -0.06 0.00 1.10 0.00 0.00 33.01 30.34 2isa s GLN 21 CO 0.48 -0.39 -0.04 0.95 -0.55 0.00 0.00 175.29 175.74 2isa s THR 22 N 2.19 1.53 -1.19 -0.34 -4.23 -1.26 -0.91 115.64 111.43 2isa s THR 22 Ca 0.51 -2.10 -0.16 0.00 -1.18 0.00 0.00 61.69 58.75 2isa s THR 22 Cb -0.20 -2.45 0.12 0.00 1.34 0.00 0.00 72.50 71.31 2isa s THR 22 CO 0.18 -0.29 1.50 0.00 -0.54 0.00 0.00 174.62 175.48 2isa s ALA 23 N -3.08 3.60 0.00 3.99 0.00 -0.50 -4.84 121.76 120.92 2isa s ALA 23 Ca 0.30 -3.06 0.00 0.00 0.00 0.00 0.00 51.96 49.20 2isa s ALA 23 Cb 0.04 -4.33 0.00 0.00 0.00 0.00 0.00 23.12 18.84 2isa s ALA 23 CO 0.12 -3.04 0.00 0.41 0.00 0.00 0.00 175.76 173.24 2isa n GLY 24 N 4.92 -1.06 0.37 0.00 0.00 -1.26 -3.58 105.19 104.59 2isa n GLY 24 Ca 0.39 -1.60 0.21 0.00 0.00 0.00 0.00 46.02 45.02 2isa n GLY 24 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2isa h LYS 25 N 0.00 0.44 0.00 1.61 1.57 -2.00 -2.04 116.57 116.15 2isa h LYS 25 Ca 0.00 -0.03 -0.00 0.00 -1.87 0.00 0.00 60.65 58.75 2isa h LYS 25 Cb 0.00 -0.10 -0.01 0.00 0.08 0.00 0.00 32.23 32.20 2isa h LYS 25 CO 0.00 0.29 -0.31 0.54 -0.57 0.00 0.00 179.45 179.40 2isa n ARG 26 N -4.82 1.40 -3.03 3.15 5.12 -1.26 -5.05 116.66 112.17 2isa n ARG 26 Ca 0.28 -2.95 -0.18 0.00 -1.93 0.00 0.00 57.85 53.07 2isa n ARG 26 Cb 0.86 -1.51 0.01 0.00 -1.16 0.00 0.00 32.46 30.66 2isa n ARG 26 CO 0.00 0.00 0.00 0.20 -1.93 0.00 0.00 177.63 175.90 2isa s GLY 27 N -3.03 1.87 0.93 -0.13 0.00 -0.77 -5.05 107.32 101.14 2isa s GLY 27 Ca 0.35 -1.58 -0.11 0.00 0.00 0.00 0.00 44.72 43.38 2isa s GLY 27 CO -0.03 -1.40 1.10 -4.14 0.00 0.00 0.00 173.10 168.63 2isa s PRO 28 N -4.39 0.94 0.33 2.90 0.02 -1.26 -4.36 135.00 129.18 2isa s PRO 28 Ca 0.54 1.10 -0.27 0.00 0.02 0.00 0.00 61.00 62.39 2isa s PRO 28 Cb -0.10 -1.75 -0.09 0.00 0.02 0.00 0.00 34.50 32.58 2isa s PRO 28 CO 0.34 -2.54 1.03 -1.14 -0.33 0.00 0.00 177.00 174.35 2isa s GLN 29 N -4.75 4.47 -0.03 5.54 0.74 -1.26 -1.41 119.66 122.96 2isa s GLN 29 Ca 0.65 1.56 -0.13 0.00 0.05 0.00 0.00 55.36 57.49 2isa s GLN 29 Cb -0.21 -2.88 -0.05 0.00 1.10 0.00 0.00 33.01 30.98 2isa s GLN 29 CO 0.59 0.13 0.35 -0.51 -0.55 0.00 0.00 175.29 175.29 2isa s LEU 30 N -1.99 4.46 0.39 3.68 1.43 -0.08 -4.89 118.68 121.67 2isa s LEU 30 Ca 0.50 0.85 0.05 0.00 -1.03 0.00 0.00 54.13 54.50 2isa s LEU 30 Cb -0.25 -2.47 0.77 0.00 0.03 0.00 0.00 46.19 44.28 2isa s LEU 30 CO 0.31 0.34 2.04 0.25 0.23 0.00 0.00 176.35 179.53 2isa h LEU 31 N 4.78 0.57 0.00 1.79 5.85 -1.96 -2.70 115.31 123.64 2isa h LEU 31 Ca -0.52 -0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.18 2isa h LEU 31 Cb 1.22 -0.14 0.00 0.00 0.37 0.00 0.00 40.66 42.11 2isa h LEU 31 CO 0.61 0.41 0.00 0.00 -0.34 0.00 0.00 178.44 179.12 2isa n GLN 32 N -4.46 0.55 -2.38 1.25 10.64 -1.26 -4.25 117.38 117.47 2isa n GLN 32 Ca 0.05 0.00 -0.37 0.00 -1.83 0.00 0.00 57.00 54.85 2isa n GLN 32 Cb 0.05 -1.29 -0.03 0.00 -0.86 0.00 0.00 30.24 28.11 2isa n GLN 32 CO 0.00 0.00 0.00 0.34 -1.83 0.00 0.00 177.06 175.57 2isa s ASP 33 N -1.77 6.08 0.23 2.61 -1.08 -1.02 -4.79 116.67 116.93 2isa s ASP 33 Ca 0.16 -1.59 0.12 0.00 -0.52 0.00 0.00 52.55 50.72 2isa s ASP 33 Cb 0.07 -2.57 0.01 0.00 -1.46 0.00 0.00 42.92 38.97 2isa s ASP 33 CO 0.12 -1.92 1.41 -0.37 0.52 0.00 0.00 175.17 174.93 2isa h VAL 34 N 6.47 1.17 -0.60 1.11 -1.51 -1.90 -2.92 116.25 118.06 2isa h VAL 34 Ca 0.25 -2.60 -0.10 0.00 -1.23 0.00 0.00 66.70 63.02 2isa h VAL 34 Cb 0.96 2.54 -0.02 0.00 -2.13 0.00 0.00 31.29 32.64 2isa h VAL 34 CO 1.36 0.66 -0.02 -0.25 -1.23 0.00 0.00 177.57 178.09 2isa h TRP 35 N 0.00 1.18 -0.24 5.19 2.91 -1.95 -0.82 115.95 122.22 2isa h TRP 35 Ca -0.01 -0.21 0.05 0.00 1.13 0.00 0.00 58.89 59.85 2isa h TRP 35 Cb 1.49 -0.31 -0.05 0.00 -0.51 0.00 0.00 29.16 29.79 2isa h TRP 35 CO 0.00 1.04 -0.06 0.35 -1.03 0.00 0.00 178.44 178.75 2isa h PHE 36 N 0.98 -0.12 -0.15 2.65 3.57 -1.89 0.72 116.94 122.70 2isa h PHE 36 Ca 0.17 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.69 2isa h PHE 36 Cb 0.58 0.09 -0.01 0.00 2.79 0.00 0.00 35.95 39.41 2isa h PHE 36 CO 0.04 -0.10 0.10 -0.07 -2.23 0.00 0.00 178.31 176.05 2isa h LEU 37 N 0.00 0.17 0.25 0.59 3.38 -1.33 -0.89 115.31 117.49 2isa h LEU 37 Ca 0.11 -0.01 -0.01 0.00 0.09 0.00 0.00 57.88 58.06 2isa h LEU 37 Cb 0.17 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 40.88 2isa h LEU 37 CO -0.24 0.13 -0.12 -0.08 0.09 0.00 0.00 178.44 178.21 2isa h GLU 38 N 0.19 -0.33 -0.45 1.13 4.81 -0.92 0.21 114.58 119.22 2isa h GLU 38 Ca 0.05 0.02 0.06 0.00 -0.13 0.00 0.00 59.36 59.37 2isa h GLU 38 Cb -0.01 0.08 -0.05 0.00 0.63 0.00 0.00 28.75 29.39 2isa h GLU 38 CO -0.01 -0.22 0.15 -0.22 -0.73 0.00 0.00 179.01 177.98 2isa h LYS 39 N -0.34 0.30 -0.21 1.92 3.64 -0.77 -1.14 116.57 119.97 2isa h LYS 39 Ca -0.03 -0.02 -0.19 0.00 -1.27 0.00 0.00 60.65 59.14 2isa h LYS 39 Cb 0.27 -0.07 -0.00 0.00 -0.41 0.00 0.00 32.23 32.02 2isa h LYS 39 CO 0.05 0.20 -0.61 -0.07 -2.27 0.00 0.00 179.45 176.75 2isa h LEU 40 N 0.31 0.81 -0.94 5.20 -0.00 -1.09 -1.85 115.31 117.75 2isa h LEU 40 Ca 0.22 -0.46 -0.10 0.00 -0.00 0.00 0.00 57.88 57.53 2isa h LEU 40 Cb 0.23 -0.23 -0.01 0.00 -0.00 0.00 0.00 40.66 40.64 2isa h LEU 40 CO -0.23 1.23 -0.34 0.00 -0.00 0.00 0.00 178.44 179.10 2isa h ALA 41 N 0.78 1.11 -0.23 1.53 0.00 -0.69 0.22 119.26 121.97 2isa h ALA 41 Ca -0.00 -0.38 -0.12 0.00 0.00 0.00 0.00 54.91 54.40 2isa h ALA 41 Cb 1.20 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 18.89 2isa h ALA 41 CO 0.12 0.57 -0.34 0.45 0.00 0.00 0.00 179.25 180.06 2isa h HIS 42 N 0.30 0.79 -0.60 0.00 3.86 -1.24 -3.16 115.15 115.10 2isa h HIS 42 Ca 0.04 -0.26 0.10 0.00 -1.16 0.00 0.00 60.37 59.08 2isa h HIS 42 Cb 0.75 -0.16 -0.07 0.00 1.06 0.00 0.00 27.41 28.99 2isa h HIS 42 CO 0.02 1.01 0.21 0.35 0.86 0.00 0.00 177.93 180.38 2isa h PHE 43 N 0.35 0.37 0.00 2.45 3.57 -0.98 -2.18 116.94 120.52 2isa h PHE 43 Ca 0.02 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.55 2isa h PHE 43 Cb 0.92 -0.07 0.00 0.00 2.79 0.00 0.00 35.95 39.59 2isa h PHE 43 CO 0.08 0.08 0.00 -0.25 -2.23 0.00 0.00 178.31 176.00 2isa n ASP 44 N -5.01 0.20 -0.09 0.41 8.00 0.74 -2.78 116.55 118.01 2isa n ASP 44 Ca 0.09 0.56 0.09 0.00 0.71 0.00 0.00 54.79 56.24 2isa n ASP 44 Cb 0.28 -0.60 0.12 0.00 -0.02 0.00 0.00 41.12 40.90 2isa n ASP 44 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 2isa n ARG 45 N -1.73 1.34 0.09 -1.24 1.74 -0.83 -4.74 116.66 111.28 2isa n ARG 45 Ca 0.02 -2.40 -0.04 0.00 -0.77 0.00 0.00 57.85 54.65 2isa n ARG 45 Cb 0.11 -1.40 0.14 0.00 -1.02 0.00 0.00 32.46 30.29 2isa n ARG 45 CO 0.00 0.00 0.00 0.93 -1.52 0.00 0.00 177.63 177.04 2isa h GLU 46 N 0.00 0.24 -6.18 5.56 5.08 -1.40 -3.44 114.58 114.43 2isa h GLU 46 Ca 0.00 -0.15 -0.55 0.00 -1.00 0.00 0.00 59.36 57.65 2isa h GLU 46 Cb 0.98 0.02 -0.05 0.00 0.50 0.00 0.00 28.75 30.21 2isa h GLU 46 CO 0.00 0.73 0.10 0.08 -1.00 0.00 0.00 179.01 178.93 2isa s VAL 47 N -3.85 4.86 0.36 3.13 1.01 -1.26 -5.08 120.40 119.57 2isa s VAL 47 Ca -0.04 1.50 0.08 0.00 0.00 0.00 0.00 61.98 63.52 2isa s VAL 47 Cb 0.12 -4.06 -0.04 0.00 0.00 0.00 0.00 36.38 32.41 2isa s VAL 47 CO 0.79 0.34 0.17 0.27 0.00 0.00 0.00 175.10 176.67 2isa s ILE 48 N 0.15 2.86 0.36 2.22 -4.36 -1.26 -5.10 121.20 116.06 2isa s ILE 48 Ca 0.37 -1.67 -0.28 0.00 -0.26 0.00 0.00 60.65 58.80 2isa s ILE 48 Cb -0.19 -2.98 -0.11 0.00 1.25 0.00 0.00 42.46 40.42 2isa s ILE 48 CO 0.20 -0.13 1.47 -2.65 0.24 0.00 0.00 174.94 174.07 2isa n PRO 49 N -1.20 2.57 -1.10 0.37 -0.02 -1.26 -5.00 135.00 129.36 2isa n PRO 49 Ca -0.02 0.90 -0.30 0.00 -2.02 0.00 0.00 63.50 62.06 2isa n PRO 49 Cb 0.62 -2.61 0.14 0.00 -0.02 0.00 0.00 33.50 31.63 2isa n PRO 49 CO 0.00 0.00 0.00 -1.83 1.98 0.00 0.00 175.50 175.65 2isa s GLU 50 N -1.80 1.23 0.35 -0.52 -1.05 -1.26 -4.96 118.70 110.69 2isa s GLU 50 Ca 0.55 0.98 -0.29 0.00 -0.15 0.00 0.00 54.97 56.06 2isa s GLU 50 Cb -0.50 -1.79 -0.11 0.00 -0.44 0.00 0.00 34.13 31.29 2isa s GLU 50 CO 0.61 -2.30 1.54 1.03 0.95 0.00 0.00 175.26 177.09 2isa s ARG 51 N -4.85 4.10 0.00 -4.83 0.52 -1.26 -5.04 118.95 107.58 2isa s ARG 51 Ca 0.64 2.60 0.01 0.00 -0.52 0.00 0.00 55.73 58.45 2isa s ARG 51 Cb -0.19 -2.98 0.04 0.00 0.52 0.00 0.00 34.95 32.33 2isa s ARG 51 CO 0.58 -0.59 0.26 -2.13 0.02 0.00 0.00 175.30 173.44 2isa n ARG 52 N 1.08 0.20 -1.98 3.54 3.00 -1.26 -4.14 116.66 117.09 2isa n ARG 52 Ca 0.04 0.00 -0.07 0.00 -0.00 0.00 0.00 57.85 57.81 2isa n ARG 52 Cb 0.38 -1.05 -0.01 0.00 0.00 0.00 0.00 32.46 31.78 2isa n ARG 52 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.63 178.35 2isa n HIS 54 N -0.55 -0.21 0.16 -0.14 8.25 -0.41 -5.06 115.22 117.26 2isa n HIS 54 Ca 0.00 0.12 0.03 0.00 -0.26 0.00 0.00 57.72 57.61 2isa n HIS 54 Cb 0.00 -0.32 0.40 0.00 1.12 0.00 0.00 29.99 31.19 2isa n HIS 54 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2isa h ALA 55 N 1.80 1.49 -2.66 -1.41 0.00 -1.72 -3.41 119.26 113.36 2isa h ALA 55 Ca -0.10 -0.25 -0.63 0.00 0.00 0.00 0.00 54.91 53.93 2isa h ALA 55 Cb 0.24 -0.06 -0.15 0.00 0.00 0.00 0.00 17.79 17.82 2isa h ALA 55 CO 0.15 0.37 -0.20 0.21 0.00 0.00 0.00 179.25 179.78 2isa s LYS 56 N -4.51 3.90 0.34 0.00 2.47 -1.24 -4.57 119.74 116.13 2isa s LYS 56 Ca -0.04 -0.03 -0.18 0.00 -1.56 0.00 0.00 55.97 54.16 2isa s LYS 56 Cb 0.15 -3.70 0.04 0.00 -1.46 0.00 0.00 37.83 32.86 2isa s LYS 56 CO 0.72 -0.37 0.77 0.20 0.16 0.00 0.00 175.35 176.83 2isa s GLY 57 N 1.66 0.18 0.00 5.54 0.00 -1.26 -2.23 107.32 111.22 2isa s GLY 57 Ca 0.16 -0.57 0.00 0.00 0.00 0.00 0.00 44.72 44.31 2isa s GLY 57 CO 0.11 -0.19 -0.01 -0.56 0.00 0.00 0.00 173.10 172.44 2isa s SER 58 N -3.02 0.16 0.15 1.64 0.01 0.37 -4.98 113.70 108.04 2isa s SER 58 Ca 0.14 -0.08 0.06 0.00 1.31 0.00 0.00 55.95 57.38 2isa s SER 58 Cb -0.05 -0.00 -0.04 0.00 0.21 0.00 0.00 66.02 66.13 2isa s SER 58 CO 0.10 -0.02 -0.13 -0.83 0.41 0.00 0.00 173.24 172.77 2isa s GLY 59 N -0.21 1.16 0.03 3.44 0.00 -1.26 -0.20 107.32 110.28 2isa s GLY 59 Ca -0.01 -1.46 -0.26 0.00 0.00 0.00 0.00 44.72 42.98 2isa s GLY 59 CO -0.00 -1.54 0.61 0.00 0.00 0.00 0.00 173.10 172.16 2isa s ALA 60 N -2.78 -1.58 0.20 3.20 0.00 -0.61 -4.54 121.76 115.65 2isa s ALA 60 Ca 0.15 0.90 -0.04 0.00 0.00 0.00 0.00 51.96 52.98 2isa s ALA 60 Cb -0.01 0.32 -0.05 0.00 0.00 0.00 0.00 23.12 23.37 2isa s ALA 60 CO 0.03 -0.50 0.44 0.71 0.00 0.00 0.00 175.76 176.44 2isa s TYR 61 N -2.14 3.47 0.00 0.00 1.51 0.84 -0.76 117.35 120.28 2isa s TYR 61 Ca -0.07 0.53 0.00 0.00 -1.01 0.00 0.00 57.07 56.53 2isa s TYR 61 Cb -0.01 -2.00 0.00 0.00 -0.11 0.00 0.00 41.96 39.84 2isa s TYR 61 CO 0.01 0.34 0.00 0.41 -1.11 0.00 0.00 175.55 175.20 2isa n GLY 62 N -0.40 2.52 2.97 0.71 0.00 -0.05 -1.01 105.19 109.93 2isa n GLY 62 Ca -0.03 -1.05 -0.19 0.00 0.00 0.00 0.00 46.02 44.75 2isa n GLY 62 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2isa s THR 63 N -2.82 0.66 -0.14 2.61 2.01 -0.56 -1.47 115.64 115.92 2isa s THR 63 Ca 0.00 -0.28 -0.05 0.00 0.31 0.00 0.00 61.69 61.67 2isa s THR 63 Cb 0.00 -0.60 -0.04 0.00 0.01 0.00 0.00 72.50 71.87 2isa s THR 63 CO 0.00 0.22 0.03 0.12 -0.69 0.00 0.00 174.62 174.30 2isa s PHE 64 N 0.30 3.21 -0.09 4.92 5.36 0.07 -1.52 117.98 130.23 2isa s PHE 64 Ca -0.04 0.07 0.03 0.00 -0.96 0.00 0.00 56.93 56.02 2isa s PHE 64 Cb -0.09 -1.96 0.01 0.00 -0.34 0.00 0.00 43.02 40.64 2isa s PHE 64 CO 0.00 0.25 -0.19 0.99 -1.46 0.00 0.00 175.22 174.82 2isa s THR 65 N -0.10 1.66 0.16 0.12 2.01 0.27 -0.44 115.64 119.31 2isa s THR 65 Ca 0.05 -0.78 -0.31 0.00 0.31 0.00 0.00 61.69 60.97 2isa s THR 65 Cb -0.12 -1.46 -0.09 0.00 0.01 0.00 0.00 72.50 70.84 2isa s THR 65 CO 0.02 0.47 1.39 -0.69 -0.69 0.00 0.00 174.62 175.12 2isa s VAL 66 N 0.53 3.14 0.00 3.82 1.01 -0.78 -1.73 120.40 126.39 2isa s VAL 66 Ca -0.16 0.86 0.00 0.00 0.00 0.00 0.00 61.98 62.68 2isa s VAL 66 Cb -0.17 -3.55 0.00 0.00 0.00 0.00 0.00 36.38 32.66 2isa s VAL 66 CO 0.06 0.09 0.00 0.35 0.00 0.00 0.00 175.10 175.60 2isa n THR 67 N 3.43 0.00 -4.14 3.92 -2.24 -0.34 -0.55 114.28 114.35 2isa n THR 67 Ca 0.10 -0.32 -0.12 0.00 -2.27 0.00 0.00 64.05 61.44 2isa n THR 67 Cb 0.42 0.86 -0.11 0.00 -2.10 0.00 0.00 70.33 69.40 2isa n THR 67 CO 0.00 0.00 0.00 -1.00 -0.57 0.00 0.00 175.07 173.50 2isa s HIS 68 N -1.03 0.89 -0.47 4.78 3.76 -0.55 -4.95 115.29 117.73 2isa s HIS 68 Ca 0.00 -0.73 -0.21 0.00 -0.15 0.00 0.00 55.06 53.97 2isa s HIS 68 Cb 0.00 -0.51 0.03 0.00 1.11 0.00 0.00 32.58 33.22 2isa s HIS 68 CO 0.00 -0.08 0.68 0.34 -0.85 0.00 0.00 174.74 174.83 2isa s ASP 69 N -2.49 6.31 -0.21 1.40 -1.08 -1.26 -4.77 116.67 114.57 2isa s ASP 69 Ca 0.04 -0.44 0.15 0.00 -0.52 0.00 0.00 52.55 51.78 2isa s ASP 69 Cb -0.01 -2.33 0.49 0.00 -1.46 0.00 0.00 42.92 39.60 2isa s ASP 69 CO -0.02 -0.86 1.39 2.30 0.52 0.00 0.00 175.17 178.50 2isa n ILE 70 N 5.87 2.31 0.30 4.11 -5.35 -1.26 -4.75 119.36 120.59 2isa n ILE 70 Ca -0.02 -2.22 0.17 0.00 -0.27 0.00 0.00 62.75 60.41 2isa n ILE 70 Cb 0.47 -0.27 0.80 0.00 -1.74 0.00 0.00 39.64 38.90 2isa n ILE 70 CO 0.00 0.00 0.00 0.71 -1.76 0.00 0.00 176.55 175.50 2isa h THR 71 N 1.27 0.00 0.00 7.28 1.35 -1.84 -0.52 112.91 120.46 2isa h THR 71 Ca 0.07 -0.25 -0.01 0.00 -0.55 0.00 0.00 66.41 65.67 2isa h THR 71 Cb 1.44 1.14 -0.00 0.00 -1.73 0.00 0.00 68.15 68.99 2isa h THR 71 CO 0.24 0.00 -0.03 0.50 -0.25 0.00 0.00 175.52 175.98 2isa h LYS 72 N 0.00 0.00 0.00 4.72 3.64 -2.00 -3.21 116.57 119.73 2isa h LYS 72 Ca 0.00 0.00 -0.10 0.00 -1.27 0.00 0.00 60.65 59.28 2isa h LYS 72 Cb 0.27 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 32.07 2isa h LYS 72 CO 0.00 0.03 -1.82 0.66 -2.27 0.00 0.00 179.45 176.05 2isa n TYR 73 N -4.21 0.00 -3.75 1.91 4.01 -0.23 -4.84 117.16 110.04 2isa n TYR 73 Ca -0.03 0.00 -0.12 0.00 -0.16 0.00 0.00 57.90 57.59 2isa n TYR 73 Cb 0.11 -0.49 -0.12 0.00 -0.31 0.00 0.00 39.34 38.53 2isa n TYR 73 CO 0.00 0.00 0.00 -0.08 -0.46 0.00 0.00 176.86 176.32 2isa s THR 74 N -2.81 -0.02 -2.11 -0.72 -1.32 -1.01 -3.28 115.64 104.36 2isa s THR 74 Ca -0.06 0.08 0.15 0.00 -1.21 0.00 0.00 61.69 60.65 2isa s THR 74 Cb 0.08 -0.37 0.38 0.00 -1.51 0.00 0.00 72.50 71.08 2isa s THR 74 CO 0.63 0.03 1.38 2.29 -2.21 0.00 0.00 174.62 176.74 2isa n LYS 75 N 3.69 1.82 -1.69 7.08 2.85 -0.69 -4.33 118.16 126.90 2isa n LYS 75 Ca -0.20 -1.27 -0.45 0.00 -1.05 0.00 0.00 58.31 55.35 2isa n LYS 75 Cb 0.55 -1.33 -0.04 0.00 -0.65 0.00 0.00 35.03 33.56 2isa n LYS 75 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 2isa n ALA 76 N 0.51 1.86 0.09 0.58 0.00 -1.24 -4.77 120.51 117.54 2isa n ALA 76 Ca 0.14 0.41 0.03 0.00 0.00 0.00 0.00 53.44 54.02 2isa n ALA 76 Cb 0.33 -2.44 0.40 0.00 0.00 0.00 0.00 19.45 17.74 2isa n ALA 76 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 2isa h LYS 77 N 6.63 0.33 -0.07 0.00 1.79 -1.93 -1.82 116.57 121.49 2isa h LYS 77 Ca -0.45 -0.06 0.02 0.00 -2.18 0.00 0.00 60.65 57.99 2isa h LYS 77 Cb 1.24 -0.05 -0.00 0.00 -1.58 0.00 0.00 32.23 31.83 2isa h LYS 77 CO 0.92 0.37 0.06 0.97 -1.08 0.00 0.00 179.45 180.69 2isa h ILE 78 N 0.32 0.74 -0.49 1.86 2.10 -1.94 -2.42 117.51 117.69 2isa h ILE 78 Ca 0.07 0.00 0.00 0.00 1.08 0.00 0.00 64.86 66.01 2isa h ILE 78 Cb 0.25 0.95 0.00 0.00 -1.09 0.00 0.00 36.82 36.93 2isa h ILE 78 CO 0.01 0.00 0.00 0.49 -1.08 0.00 0.00 178.15 177.57 2isa n PHE 79 N -4.19 0.65 0.12 2.19 3.72 -0.70 -4.75 117.46 114.50 2isa n PHE 79 Ca -0.01 -0.42 0.01 0.00 -0.05 0.00 0.00 57.45 56.98 2isa n PHE 79 Cb 0.17 -0.01 0.31 0.00 -0.94 0.00 0.00 39.48 39.01 2isa n PHE 79 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 176.76 177.37 2isa h SER 80 N 3.44 0.19 -3.61 4.37 4.64 -1.25 -3.43 113.55 117.89 2isa h SER 80 Ca 0.00 -0.06 -0.30 0.00 -0.47 0.00 0.00 61.79 60.96 2isa h SER 80 Cb 0.87 -0.05 -0.32 0.00 -0.31 0.00 0.00 62.40 62.59 2isa h SER 80 CO 0.00 0.49 -0.74 -1.81 -0.87 0.00 0.00 176.83 173.90 2isa s ASP 81 N -6.89 0.22 0.18 4.97 1.01 -1.26 -4.98 116.67 109.92 2isa s ASP 81 Ca -0.05 -0.01 -0.33 0.00 0.71 0.00 0.00 52.55 52.88 2isa s ASP 81 Cb 0.14 -0.10 -0.13 0.00 1.01 0.00 0.00 42.92 43.84 2isa s ASP 81 CO 0.75 -0.06 1.64 -0.38 0.21 0.00 0.00 175.17 177.32 2isa n ILE 82 N 3.74 0.01 0.00 0.77 5.41 -1.26 -1.26 119.36 126.76 2isa n ILE 82 Ca -0.22 -0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.53 2isa n ILE 82 Cb 0.54 -1.72 0.00 0.00 -0.71 0.00 0.00 39.64 37.75 2isa n ILE 82 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 2isa n GLY 83 N 3.65 1.44 3.72 7.39 0.00 0.28 -4.99 105.19 116.68 2isa n GLY 83 Ca 0.17 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.77 2isa n GLY 83 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2isa s LYS 84 N -0.69 4.20 -0.12 1.61 2.20 -0.39 -4.72 119.74 121.84 2isa s LYS 84 Ca 0.00 2.39 -0.01 0.00 -0.36 0.00 0.00 55.97 58.00 2isa s LYS 84 Cb 0.00 -3.14 -0.02 0.00 -1.51 0.00 0.00 37.83 33.16 2isa s LYS 84 CO 0.00 -0.61 -0.10 0.15 -0.36 0.00 0.00 175.35 174.43 2isa s LYS 85 N 1.02 3.29 -0.08 4.03 1.02 -1.26 -1.87 119.74 125.88 2isa s LYS 85 Ca 0.70 -0.62 0.03 0.00 0.02 0.00 0.00 55.97 56.09 2isa s LYS 85 Cb -0.44 -2.68 0.01 0.00 -0.52 0.00 0.00 37.83 34.20 2isa s LYS 85 CO 0.32 0.33 -0.16 0.99 -0.92 0.00 0.00 175.35 175.91 2isa s THR 86 N 0.08 1.45 0.65 2.17 2.01 0.41 -4.97 115.64 117.44 2isa s THR 86 Ca -0.03 -0.65 -0.16 0.00 0.31 0.00 0.00 61.69 61.16 2isa s THR 86 Cb -0.14 -1.30 -0.01 0.00 0.01 0.00 0.00 72.50 71.07 2isa s THR 86 CO 0.04 0.43 1.13 -1.81 -0.69 0.00 0.00 174.62 173.71 2isa s ASP 87 N 0.64 5.09 0.19 3.53 1.01 -1.26 -0.75 116.67 125.12 2isa s ASP 87 Ca -0.14 2.08 -0.21 0.00 0.71 0.00 0.00 52.55 54.98 2isa s ASP 87 Cb -0.16 -2.56 0.05 0.00 1.01 0.00 0.00 42.92 41.26 2isa s ASP 87 CO 0.04 -1.64 0.60 0.00 0.21 0.00 0.00 175.17 174.38 2isa s MET 88 N -3.94 1.40 -0.01 8.23 0.23 -0.54 -1.20 119.30 123.47 2isa s MET 88 Ca 0.69 -0.68 0.02 0.00 -1.03 0.00 0.00 55.69 54.70 2isa s MET 88 Cb -0.22 0.57 -0.00 0.00 -1.53 0.00 0.00 34.83 33.65 2isa s MET 88 CO 0.40 -0.61 -0.08 0.12 -2.03 0.00 0.00 175.02 172.81 2isa s PHE 89 N -3.82 0.79 0.02 3.16 5.36 0.56 -0.87 117.98 123.17 2isa s PHE 89 Ca 0.05 -0.16 0.08 0.00 -0.96 0.00 0.00 56.93 55.93 2isa s PHE 89 Cb -0.02 -0.53 -0.02 0.00 -0.34 0.00 0.00 43.02 42.11 2isa s PHE 89 CO -0.06 -0.04 -0.24 0.00 -1.46 0.00 0.00 175.22 173.42 2isa s ALA 90 N -0.05 1.98 -0.11 11.12 0.00 0.06 -0.45 121.76 134.31 2isa s ALA 90 Ca 0.01 -1.10 0.01 0.00 0.00 0.00 0.00 51.96 50.89 2isa s ALA 90 Cb -0.05 -0.45 0.02 0.00 0.00 0.00 0.00 23.12 22.64 2isa s ALA 90 CO -0.00 0.47 -0.13 0.50 0.00 0.00 0.00 175.76 176.60 2isa s ARG 91 N -0.91 2.03 0.08 0.00 3.52 -0.15 -1.58 118.95 121.95 2isa s ARG 91 Ca 0.09 -0.48 0.02 0.00 -0.13 0.00 0.00 55.73 55.23 2isa s ARG 91 Cb -0.09 -1.80 -0.04 0.00 -1.56 0.00 0.00 34.95 31.46 2isa s ARG 91 CO 0.01 -0.12 0.17 -0.06 -0.81 0.00 0.00 175.30 174.49 2isa s PHE 92 N 1.16 3.37 0.12 5.12 0.40 0.72 -1.72 117.98 127.15 2isa s PHE 92 Ca -0.04 0.15 -0.24 0.00 -0.60 0.00 0.00 56.93 56.20 2isa s PHE 92 Cb -0.14 -1.68 0.07 0.00 0.51 0.00 0.00 43.02 41.78 2isa s PHE 92 CO -0.04 0.55 0.64 -1.54 0.70 0.00 0.00 175.22 175.53 2isa s SER 93 N -2.59 -0.56 0.74 1.36 1.04 -1.05 -0.47 113.70 112.16 2isa s SER 93 Ca 0.33 0.07 0.00 0.00 0.48 0.00 0.00 55.95 56.83 2isa s SER 93 Cb -0.12 0.57 0.00 0.00 0.10 0.00 0.00 66.02 66.57 2isa s SER 93 CO 0.26 -0.90 0.00 0.35 0.98 0.00 0.00 173.24 173.93 2isa n THR 94 N -0.24 0.00 0.01 2.02 -2.24 -0.95 0.21 114.28 113.10 2isa n THR 94 Ca -0.16 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.62 2isa n THR 94 Cb 0.64 -1.83 0.00 0.00 -2.10 0.00 0.00 70.33 67.04 2isa n THR 94 CO 0.00 0.00 0.00 0.52 -0.57 0.00 0.00 175.07 175.02 2isa n VAL 95 N -1.63 0.20 0.03 2.28 0.31 -1.24 -4.06 118.33 114.22 2isa n VAL 95 Ca 0.00 0.07 -0.13 0.00 -0.01 0.00 0.00 64.34 64.27 2isa n VAL 95 Cb 0.00 -1.50 -0.14 0.00 -0.91 0.00 0.00 33.84 31.29 2isa n VAL 95 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2isa h ALA 96 N 0.00 0.44 -2.93 3.52 0.00 -1.93 -1.09 119.26 117.28 2isa h ALA 96 Ca 0.00 -1.20 -0.53 0.00 0.00 0.00 0.00 54.91 53.18 2isa h ALA 96 Cb 0.82 0.30 0.10 0.00 0.00 0.00 0.00 17.79 19.00 2isa h ALA 96 CO 0.00 1.30 0.70 0.20 0.00 0.00 0.00 179.25 181.45 2isa s GLY 97 N -5.01 2.94 0.91 0.00 0.00 -1.26 -4.90 107.32 100.01 2isa s GLY 97 Ca -0.07 1.42 -0.15 0.00 0.00 0.00 0.00 44.72 45.91 2isa s GLY 97 CO 0.83 2.06 1.09 1.18 0.00 0.00 0.00 173.10 178.26 2isa n GLU 98 N 0.28 -1.64 -1.72 2.90 4.71 -1.26 -3.69 120.64 120.22 2isa n GLU 98 Ca 0.02 -1.70 -0.42 0.00 -0.01 0.00 0.00 57.16 55.05 2isa n GLU 98 Cb 0.41 -1.26 -0.03 0.00 -1.01 0.00 0.00 31.44 29.56 2isa n GLU 98 CO 0.00 0.00 0.00 -2.13 0.09 0.00 0.00 177.13 175.09 2isa n ARG 99 N -3.73 2.69 0.00 3.49 0.63 -1.26 -1.70 116.66 116.78 2isa n ARG 99 Ca 0.14 0.97 0.00 0.00 -0.92 0.00 0.00 57.85 58.04 2isa n ARG 99 Cb 0.50 -2.79 0.00 0.00 0.45 0.00 0.00 32.46 30.62 2isa n ARG 99 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 2isa n GLY 100 N 3.52 3.09 3.69 5.14 0.00 -1.26 -5.03 105.19 114.34 2isa n GLY 100 Ca 0.15 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.85 2isa n GLY 100 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2isa s ALA 101 N -2.31 1.62 0.23 4.61 0.00 -0.69 -4.93 121.76 120.29 2isa s ALA 101 Ca 0.00 0.59 -0.31 0.00 0.00 0.00 0.00 51.96 52.24 2isa s ALA 101 Cb 0.00 -3.43 -0.11 0.00 0.00 0.00 0.00 23.12 19.58 2isa s ALA 101 CO 0.00 -2.57 1.58 0.00 0.00 0.00 0.00 175.76 174.77 2isa s ALA 102 N -2.62 3.78 0.30 0.00 0.00 -1.26 -4.87 121.76 117.09 2isa s ALA 102 Ca 0.67 1.46 -0.02 0.00 0.00 0.00 0.00 51.96 54.08 2isa s ALA 102 Cb -0.23 -3.63 0.45 0.00 0.00 0.00 0.00 23.12 19.71 2isa s ALA 102 CO 0.57 -0.86 1.96 -0.44 0.00 0.00 0.00 175.76 176.99 2isa h ASP 103 N 5.93 0.92 -2.17 0.00 3.32 -1.64 -3.35 116.42 119.43 2isa h ASP 103 Ca -0.45 -0.03 -0.80 0.00 0.02 0.00 0.00 57.03 55.78 2isa h ASP 103 Cb 1.21 -0.23 -0.27 0.00 0.22 0.00 0.00 39.33 40.26 2isa h ASP 103 CO 0.86 0.68 1.04 0.00 -1.72 0.00 0.00 179.24 180.11 2isa n ALA 104 N -2.41 6.22 -2.94 3.45 0.00 -1.26 -4.90 120.51 118.66 2isa n ALA 104 Ca 0.09 -4.46 -0.21 0.00 0.00 0.00 0.00 53.44 48.86 2isa n ALA 104 Cb 0.04 -2.13 -0.02 0.00 0.00 0.00 0.00 19.45 17.34 2isa n ALA 104 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 2isa s GLU 105 N -4.26 3.36 -0.30 0.00 2.02 -1.26 -4.75 118.70 113.52 2isa s GLU 105 Ca 0.43 -0.81 -0.29 0.00 0.02 0.00 0.00 54.97 54.32 2isa s GLU 105 Cb 0.27 -2.84 0.00 0.00 0.10 0.00 0.00 34.13 31.66 2isa s GLU 105 CO -0.22 0.42 1.27 0.50 0.02 0.00 0.00 175.26 177.25 2isa s ARG 106 N -3.96 3.94 -0.24 1.61 3.52 -1.26 -4.62 118.95 117.95 2isa s ARG 106 Ca 0.34 1.22 -0.35 0.00 -0.13 0.00 0.00 55.73 56.81 2isa s ARG 106 Cb -0.09 -3.86 0.15 0.00 -1.56 0.00 0.00 34.95 29.60 2isa s ARG 106 CO 0.28 -1.09 1.28 0.34 -0.81 0.00 0.00 175.30 175.31 2isa s ASP 107 N 2.61 -0.09 0.65 -2.12 -1.08 -0.77 -5.03 116.67 110.84 2isa s ASP 107 Ca 0.55 0.02 -0.18 0.00 -0.52 0.00 0.00 52.55 52.42 2isa s ASP 107 Cb -0.16 0.09 -0.01 0.00 -1.46 0.00 0.00 42.92 41.38 2isa s ASP 107 CO 0.22 -0.14 1.24 -0.38 0.52 0.00 0.00 175.17 176.63 2isa n ILE 108 N 0.07 4.72 -4.70 4.11 5.41 -1.26 -4.68 119.36 123.03 2isa n ILE 108 Ca 0.02 -0.49 -0.33 0.00 1.00 0.00 0.00 62.75 62.94 2isa n ILE 108 Cb 0.58 -1.43 -0.13 0.00 -0.71 0.00 0.00 39.64 37.94 2isa n ILE 108 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 176.55 176.42 2isa s ARG 109 N -3.30 3.26 0.46 0.38 1.81 -1.26 -3.66 118.95 116.64 2isa s ARG 109 Ca 0.82 -0.64 -0.22 0.00 -1.72 0.00 0.00 55.73 53.97 2isa s ARG 109 Cb -0.38 -2.65 -0.08 0.00 -0.45 0.00 0.00 34.95 31.39 2isa s ARG 109 CO 0.41 0.33 1.10 0.20 -0.68 0.00 0.00 175.30 176.66 2isa s GLY 110 N 0.07 2.69 -0.40 -3.53 0.00 0.13 -0.17 107.32 106.12 2isa s GLY 110 Ca -0.04 0.79 0.03 0.00 0.00 0.00 0.00 44.72 45.50 2isa s GLY 110 CO 0.04 1.20 0.30 -0.12 0.00 0.00 0.00 173.10 174.52 2isa s PHE 111 N -1.69 1.03 -0.17 1.90 2.19 0.39 -2.54 117.98 119.08 2isa s PHE 111 Ca 0.64 -2.14 -0.02 0.00 0.33 0.00 0.00 56.93 55.74 2isa s PHE 111 Cb -0.24 -0.95 -0.01 0.00 -1.31 0.00 0.00 43.02 40.51 2isa s PHE 111 CO 0.29 -0.82 -0.10 0.45 1.83 0.00 0.00 175.22 176.86 2isa s SER 112 N 0.33 4.02 -0.03 6.13 0.15 -0.70 -0.80 113.70 122.80 2isa s SER 112 Ca 0.28 -0.39 0.06 0.00 0.70 0.00 0.00 55.95 56.60 2isa s SER 112 Cb -0.04 -1.65 -0.01 0.00 -1.71 0.00 0.00 66.02 62.61 2isa s SER 112 CO -0.14 0.07 -0.20 -0.76 1.20 0.00 0.00 173.24 173.42 2isa s LEU 113 N 0.92 2.00 -0.20 3.45 1.43 0.18 -0.97 118.68 125.49 2isa s LEU 113 Ca -0.02 -0.38 0.01 0.00 -1.03 0.00 0.00 54.13 52.71 2isa s LEU 113 Cb -0.15 -1.05 0.05 0.00 0.03 0.00 0.00 46.19 45.07 2isa s LEU 113 CO -0.00 0.21 -0.08 -0.75 0.23 0.00 0.00 176.35 175.96 2isa s LYS 114 N -0.26 1.81 -0.25 1.70 2.20 0.40 -0.21 119.74 125.13 2isa s LYS 114 Ca 0.02 -0.82 -0.10 0.00 -0.36 0.00 0.00 55.97 54.72 2isa s LYS 114 Cb -0.10 -2.39 -0.04 0.00 -1.51 0.00 0.00 37.83 33.79 2isa s LYS 114 CO 0.01 -0.47 0.14 -0.06 -0.36 0.00 0.00 175.35 174.60 2isa s PHE 115 N 1.44 3.24 -1.23 4.03 0.08 -0.03 -0.32 117.98 125.18 2isa s PHE 115 Ca -0.02 0.06 -0.14 0.00 0.12 0.00 0.00 56.93 56.94 2isa s PHE 115 Cb -0.17 -2.27 0.16 0.00 -0.57 0.00 0.00 43.02 40.17 2isa s PHE 115 CO -0.08 -0.07 1.50 0.66 -0.10 0.00 0.00 175.22 177.14 2isa n TYR 116 N 4.53 4.86 -2.25 0.36 4.01 -0.34 -1.05 117.16 127.28 2isa n TYR 116 Ca -0.15 -3.26 -0.25 0.00 -0.16 0.00 0.00 57.90 54.07 2isa n TYR 116 Cb 0.52 -2.25 0.06 0.00 -0.31 0.00 0.00 39.34 37.36 2isa n TYR 116 CO 0.00 0.00 0.00 0.95 -0.46 0.00 0.00 176.86 177.35 2isa s THR 117 N 1.94 2.37 -1.02 -0.72 -4.23 -0.89 -4.51 115.64 108.58 2isa s THR 117 Ca 0.45 -0.30 0.21 0.00 -1.18 0.00 0.00 61.69 60.87 2isa s THR 117 Cb -0.01 -3.02 0.18 0.00 1.34 0.00 0.00 72.50 70.99 2isa s THR 117 CO 0.01 -0.02 1.67 -1.84 -0.54 0.00 0.00 174.62 173.90 2isa n GLU 118 N -2.85 0.02 -1.06 3.99 0.28 -1.26 -3.03 120.64 116.72 2isa n GLU 118 Ca 0.08 0.14 -0.01 0.00 -0.16 0.00 0.00 57.16 57.20 2isa n GLU 118 Cb 0.60 -1.50 0.15 0.00 1.43 0.00 0.00 31.44 32.12 2isa n GLU 118 CO 0.00 0.00 0.00 0.39 -0.16 0.00 0.00 177.13 177.36 2isa n GLU 119 N -1.49 1.95 0.00 3.44 1.02 -1.26 -4.73 120.64 119.58 2isa n GLU 119 Ca 0.05 -3.42 0.00 0.00 -0.02 0.00 0.00 57.16 53.77 2isa n GLU 119 Cb 0.24 -1.66 0.00 0.00 -0.02 0.00 0.00 31.44 30.00 2isa n GLU 119 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2isa n GLY 120 N -0.89 2.99 3.69 0.62 0.00 -1.17 -4.57 105.19 105.86 2isa n GLY 120 Ca 0.24 -1.99 -0.42 0.00 0.00 0.00 0.00 46.02 43.84 2isa n GLY 120 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2isa s ASN 121 N 0.00 7.09 -0.34 1.61 0.02 -1.26 -2.09 114.94 119.97 2isa s ASN 121 Ca 0.00 1.78 -0.15 0.00 -1.02 0.00 0.00 52.86 53.47 2isa s ASN 121 Cb 0.00 -2.56 -0.01 0.00 0.02 0.00 0.00 41.25 38.70 2isa s ASN 121 CO 0.00 -0.54 0.38 0.86 0.02 0.00 0.00 177.10 177.82 2isa s TRP 122 N 2.05 3.21 -0.24 2.20 -0.00 -0.22 -4.44 118.94 121.50 2isa s TRP 122 Ca 0.55 0.01 -0.13 0.00 -0.00 0.00 0.00 56.10 56.53 2isa s TRP 122 Cb -0.24 -2.70 -0.04 0.00 -0.00 0.00 0.00 33.47 30.49 2isa s TRP 122 CO 0.22 -0.44 0.27 -0.51 -0.00 0.00 0.00 176.95 176.49 2isa s ASP 123 N 1.73 6.22 -0.40 5.86 1.01 -0.21 -0.85 116.67 130.04 2isa s ASP 123 Ca 0.13 0.24 0.03 0.00 0.71 0.00 0.00 52.55 53.66 2isa s ASP 123 Cb -0.16 -2.16 0.11 0.00 1.01 0.00 0.00 42.92 41.72 2isa s ASP 123 CO 0.12 -0.03 0.13 -0.22 0.21 0.00 0.00 175.17 175.37 2isa s LEU 124 N 1.41 4.19 -1.10 1.23 2.96 0.70 -4.52 118.68 123.55 2isa s LEU 124 Ca 0.12 -2.39 -0.18 0.00 -0.22 0.00 0.00 54.13 51.46 2isa s LEU 124 Cb -0.15 -1.50 0.11 0.00 0.50 0.00 0.00 46.19 45.15 2isa s LEU 124 CO 0.07 -0.33 1.41 0.00 -1.32 0.00 0.00 176.35 176.18 2isa s ALA 125 N 0.59 3.35 0.75 5.97 0.00 -1.26 -0.65 121.76 130.51 2isa s ALA 125 Ca 0.13 -2.82 -0.01 0.00 0.00 0.00 0.00 51.96 49.26 2isa s ALA 125 Cb -0.21 -4.31 0.15 0.00 0.00 0.00 0.00 23.12 18.74 2isa s ALA 125 CO -0.07 -3.16 0.99 0.41 0.00 0.00 0.00 175.76 173.94 2isa n GLY 126 N 5.48 0.49 3.44 0.00 0.00 0.02 -4.93 105.19 109.69 2isa n GLY 126 Ca 0.35 -2.00 -0.21 0.00 0.00 0.00 0.00 46.02 44.15 2isa n GLY 126 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2isa s ASN 127 N -5.01 2.28 -0.00 1.61 0.01 -0.75 -0.47 114.94 112.61 2isa s ASN 127 Ca 0.65 -1.39 0.01 0.00 -0.71 0.00 0.00 52.86 51.42 2isa s ASN 127 Cb -0.04 -0.03 0.04 0.00 0.41 0.00 0.00 41.25 41.63 2isa s ASN 127 CO 0.43 -0.63 0.90 -0.46 -1.51 0.00 0.00 177.10 175.83 2isa n ASN 128 N -0.70 0.50 -4.11 -1.22 6.94 0.76 -0.88 115.26 116.56 2isa n ASN 128 Ca -0.02 -2.01 -0.17 0.00 -0.02 0.00 0.00 54.58 52.36 2isa n ASN 128 Cb 0.66 -0.16 -0.12 0.00 -2.36 0.00 0.00 39.78 37.80 2isa n ASN 128 CO 0.00 0.00 0.00 0.28 -1.03 0.00 0.00 177.26 176.51 2isa s THR 129 N -1.71 0.85 -0.88 5.53 -1.32 -1.26 -4.67 115.64 112.18 2isa s THR 129 Ca 0.03 -1.05 0.25 0.00 -1.21 0.00 0.00 61.69 59.71 2isa s THR 129 Cb 0.02 -0.83 0.22 0.00 -1.51 0.00 0.00 72.50 70.40 2isa s THR 129 CO 0.02 -0.18 1.77 -0.81 -2.21 0.00 0.00 174.62 173.20 2isa n PRO 130 N 1.66 0.08 -4.56 7.08 -0.04 -1.26 -4.55 135.00 133.40 2isa n PRO 130 Ca -0.20 0.15 -0.28 0.00 -0.04 0.00 0.00 63.50 63.14 2isa n PRO 130 Cb 0.55 -1.61 -0.08 0.00 -0.04 0.00 0.00 33.50 32.32 2isa n PRO 130 CO 0.00 0.00 0.00 0.14 -0.04 0.00 0.00 175.50 175.60 2isa s VAL 131 N -3.06 0.59 0.26 0.52 -7.23 -1.26 -4.40 120.40 105.82 2isa s VAL 131 Ca 0.11 -2.00 0.01 0.00 -1.81 0.00 0.00 61.98 58.28 2isa s VAL 131 Cb 0.14 -2.25 -0.03 0.00 0.56 0.00 0.00 36.38 34.81 2isa s VAL 131 CO 0.47 0.00 0.25 0.12 -0.31 0.00 0.00 175.10 175.63 2isa s PHE 132 N -3.13 1.30 0.24 2.82 5.36 -0.85 -4.96 117.98 118.75 2isa s PHE 132 Ca 0.19 -1.42 0.12 0.00 -0.96 0.00 0.00 56.93 54.86 2isa s PHE 132 Cb 0.01 -0.51 0.38 0.00 -0.34 0.00 0.00 43.02 42.56 2isa s PHE 132 CO 0.13 -0.80 1.61 0.74 -1.46 0.00 0.00 175.22 175.44 2isa h PHE 133 N 2.37 0.00 -3.80 10.12 -1.00 -1.89 -3.38 116.94 119.36 2isa h PHE 133 Ca -0.31 0.00 -0.68 0.00 2.81 0.00 0.00 57.97 59.80 2isa h PHE 133 Cb 1.24 0.00 -0.20 0.00 3.61 0.00 0.00 35.95 40.61 2isa h PHE 133 CO 0.94 0.59 -0.79 -0.51 -1.61 0.00 0.00 178.31 176.94 2isa s LEU 134 N -7.45 2.72 -0.04 1.54 1.43 -1.26 -3.01 118.68 112.61 2isa s LEU 134 Ca -0.01 -0.47 0.18 0.00 -1.03 0.00 0.00 54.13 52.81 2isa s LEU 134 Cb 0.12 -1.58 -0.22 0.00 0.03 0.00 0.00 46.19 44.55 2isa s LEU 134 CO 0.75 0.21 0.52 0.54 0.23 0.00 0.00 176.35 178.60 2isa n ARG 135 N 1.12 0.65 -4.81 1.70 1.74 -1.26 -4.42 116.66 111.38 2isa n ARG 135 Ca -0.16 0.05 -0.26 0.00 -0.77 0.00 0.00 57.85 56.72 2isa n ARG 135 Cb 0.52 -1.65 -0.16 0.00 -1.02 0.00 0.00 32.46 30.15 2isa n ARG 135 CO 0.00 0.00 0.00 0.34 -1.52 0.00 0.00 177.63 176.45 2isa s ASP 136 N -5.39 2.14 0.59 0.55 -1.08 -1.26 -4.03 116.67 108.20 2isa s ASP 136 Ca -0.06 -0.36 0.37 0.00 -0.52 0.00 0.00 52.55 51.98 2isa s ASP 136 Cb 0.09 -0.69 1.83 0.00 -1.46 0.00 0.00 42.92 42.69 2isa s ASP 136 CO 0.84 0.13 2.17 1.55 0.52 0.00 0.00 175.17 180.38 2isa h PRO 137 N 6.41 0.00 -0.37 4.34 0.13 -1.89 -2.43 132.00 138.20 2isa h PRO 137 Ca -0.31 0.00 0.11 0.00 -0.87 0.00 0.00 66.00 64.92 2isa h PRO 137 Cb 1.18 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.30 2isa h PRO 137 CO 0.48 0.02 0.29 -0.07 -0.23 0.00 0.00 178.00 178.49 2isa h LEU 138 N 0.00 0.00 -0.30 1.56 3.38 -1.96 -1.65 115.31 116.34 2isa h LEU 138 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2isa h LEU 138 Cb 0.26 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.01 2isa h LEU 138 CO 0.00 0.00 -0.06 0.29 0.09 0.00 0.00 178.44 178.77 2isa n LYS 139 N -4.22 0.94 -0.02 1.13 4.76 -0.91 -4.27 118.16 115.58 2isa n LYS 139 Ca 0.06 -0.30 -0.12 0.00 -2.87 0.00 0.00 58.31 55.07 2isa n LYS 139 Cb 0.47 -1.49 -0.07 0.00 -1.84 0.00 0.00 35.03 32.09 2isa n LYS 139 CO 0.00 0.00 0.00 0.35 -1.37 0.00 0.00 177.40 176.38 2isa h PHE 140 N 0.74 0.14 -0.38 2.13 3.57 -1.47 -0.64 116.94 121.02 2isa h PHE 140 Ca 0.00 -0.02 0.06 0.00 3.53 0.00 0.00 57.97 61.54 2isa h PHE 140 Cb 0.29 -0.04 -0.02 0.00 2.79 0.00 0.00 35.95 38.97 2isa h PHE 140 CO 0.00 0.37 0.26 -1.35 -2.23 0.00 0.00 178.31 175.36 2isa h PRO 141 N -0.14 0.26 -0.45 6.41 0.11 -1.79 -1.78 132.00 134.63 2isa h PRO 141 Ca 0.02 -0.02 -0.13 0.00 0.11 0.00 0.00 66.00 65.98 2isa h PRO 141 Cb 0.31 -0.06 -0.01 0.00 0.11 0.00 0.00 31.00 31.35 2isa h PRO 141 CO 0.00 0.17 -0.23 -0.44 -0.21 0.00 0.00 178.00 177.29 2isa h ASP 142 N 0.27 0.98 -0.07 -2.05 3.32 -1.72 -1.66 116.42 115.48 2isa h ASP 142 Ca 0.17 -0.41 0.00 0.00 0.02 0.00 0.00 57.03 56.81 2isa h ASP 142 Cb 0.33 -0.27 -0.00 0.00 0.22 0.00 0.00 39.33 39.60 2isa h ASP 142 CO -0.03 1.17 0.05 0.25 -1.72 0.00 0.00 179.24 178.95 2isa h LEU 143 N 0.79 0.08 -0.37 1.55 5.85 -0.61 -0.91 115.31 121.69 2isa h LEU 143 Ca 0.10 -0.00 0.08 0.00 0.84 0.00 0.00 57.88 58.89 2isa h LEU 143 Cb 0.81 -0.02 -0.08 0.00 0.37 0.00 0.00 40.66 41.74 2isa h LEU 143 CO 0.07 0.06 -0.17 -1.13 -0.34 0.00 0.00 178.44 176.93 2isa h ASN 144 N 0.09 -0.57 0.49 1.25 -0.73 -1.29 -0.28 115.58 114.54 2isa h ASN 144 Ca 0.03 0.14 -0.03 0.00 1.87 0.00 0.00 56.30 58.30 2isa h ASN 144 Cb -0.01 0.32 -0.00 0.00 0.27 0.00 0.00 38.32 38.89 2isa h ASN 144 CO -0.01 -0.20 -0.14 0.45 -0.37 0.00 0.00 177.43 177.16 2isa h HIS 145 N -0.10 0.00 0.09 0.67 3.86 -1.08 -1.49 115.15 117.11 2isa h HIS 145 Ca 0.18 0.00 -0.30 0.00 -1.16 0.00 0.00 60.37 59.10 2isa h HIS 145 Cb 0.38 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 28.84 2isa h HIS 145 CO -0.40 0.14 -1.51 0.00 0.86 0.00 0.00 177.93 177.03 2isa h ALA 146 N 1.86 0.34 0.00 2.45 0.00 -0.33 -3.38 119.26 120.20 2isa h ALA 146 Ca -0.00 -1.14 0.00 0.00 0.00 0.00 0.00 54.91 53.77 2isa h ALA 146 Cb 0.42 0.27 0.00 0.00 0.00 0.00 0.00 17.79 18.48 2isa h ALA 146 CO 0.02 1.21 -1.13 1.33 0.00 0.00 0.00 179.25 180.67 2isa n VAL 147 N -3.40 0.21 -1.16 0.00 0.24 -0.20 -3.02 118.33 111.01 2isa n VAL 147 Ca -0.15 -0.31 0.00 0.00 -2.04 0.00 0.00 64.34 61.84 2isa n VAL 147 Cb 1.03 0.12 0.00 0.00 -1.47 0.00 0.00 33.84 33.53 2isa n VAL 147 CO 0.00 0.00 0.00 0.29 -2.14 0.00 0.00 176.83 174.98 2isa n LYS 148 N -2.09 3.61 -2.90 7.34 5.02 -0.58 -4.86 118.16 123.70 2isa n LYS 148 Ca 0.01 0.00 -0.40 0.00 -2.02 0.00 0.00 58.31 55.90 2isa n LYS 148 Cb 0.47 0.00 -0.06 0.00 -0.02 0.00 0.00 35.03 35.42 2isa n LYS 148 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 2isa s ARG 149 N 3.39 4.66 0.33 1.97 0.52 -1.26 -4.26 118.95 124.28 2isa s ARG 149 Ca 0.00 1.26 -0.29 0.00 -0.52 0.00 0.00 55.73 56.19 2isa s ARG 149 Cb 0.00 -3.28 -0.10 0.00 0.52 0.00 0.00 34.95 32.09 2isa s ARG 149 CO 0.00 0.53 1.38 0.34 0.02 0.00 0.00 175.30 177.57 2isa s ASP 150 N -1.05 6.64 0.36 0.23 -1.08 0.28 -4.84 116.67 117.22 2isa s ASP 150 Ca 0.38 2.78 0.15 0.00 -0.52 0.00 0.00 52.55 55.34 2isa s ASP 150 Cb -0.24 -2.65 1.05 0.00 -1.46 0.00 0.00 42.92 39.62 2isa s ASP 150 CO 0.28 -0.65 1.73 -0.65 0.52 0.00 0.00 175.17 176.39 2isa h PRO 151 N 3.63 0.42 0.01 4.34 0.11 -1.93 -0.94 132.00 137.65 2isa h PRO 151 Ca -0.49 -0.03 -0.39 0.00 0.11 0.00 0.00 66.00 65.21 2isa h PRO 151 Cb 1.23 -0.09 -0.06 0.00 0.11 0.00 0.00 31.00 32.19 2isa h PRO 151 CO 0.68 0.28 -2.14 -2.13 -0.21 0.00 0.00 178.00 174.47 2isa n ARG 152 N -4.79 0.60 0.23 1.05 0.63 -1.26 -4.52 116.66 108.60 2isa n ARG 152 Ca 0.28 0.34 0.14 0.00 -0.92 0.00 0.00 57.85 57.69 2isa n ARG 152 Cb 0.89 -1.58 0.37 0.00 0.45 0.00 0.00 32.46 32.59 2isa n ARG 152 CO 0.00 0.00 0.00 1.79 -2.51 0.00 0.00 177.63 176.91 2isa h THR 153 N -0.82 0.00 -2.66 5.15 1.35 -1.94 -3.46 112.91 110.52 2isa h THR 153 Ca -0.57 -0.78 -0.29 0.00 -0.55 0.00 0.00 66.41 64.21 2isa h THR 153 Cb 1.59 1.78 -0.06 0.00 -1.73 0.00 0.00 68.15 69.73 2isa h THR 153 CO -0.30 0.00 -0.33 -3.20 -0.25 0.00 0.00 175.52 171.44 2isa n ASN 154 N -3.03 -4.16 -4.28 5.36 5.15 -0.36 -4.95 115.26 109.00 2isa n ASN 154 Ca 0.03 0.23 -0.16 0.00 -0.60 0.00 0.00 54.58 54.09 2isa n ASN 154 Cb 0.44 -3.64 -0.10 0.00 -0.53 0.00 0.00 39.78 35.95 2isa n ASN 154 CO 0.00 0.00 0.00 -0.04 1.40 0.00 0.00 177.26 178.62 2isa s MET 155 N -4.28 1.16 0.57 1.20 -1.94 -1.26 -4.78 119.30 109.96 2isa s MET 155 Ca 0.00 -1.51 -0.20 0.00 -1.71 0.00 0.00 55.69 52.27 2isa s MET 155 Cb 0.00 -0.74 -0.04 0.00 2.01 0.00 0.00 34.83 36.06 2isa s MET 155 CO 0.00 0.08 1.25 1.03 -0.01 0.00 0.00 175.02 177.37 2isa s ARG 156 N -3.74 3.05 -0.19 2.03 0.52 -1.26 -0.55 118.95 118.80 2isa s ARG 156 Ca 0.19 1.96 0.01 0.00 -0.52 0.00 0.00 55.73 57.37 2isa s ARG 156 Cb 0.02 -2.06 0.04 0.00 0.52 0.00 0.00 34.95 33.48 2isa s ARG 156 CO 0.03 -1.18 -0.10 0.45 0.02 0.00 0.00 175.30 174.52 2isa s SER 157 N -1.38 3.33 0.21 0.23 0.15 -1.26 -4.85 113.70 110.13 2isa s SER 157 Ca 0.75 -0.85 -0.10 0.00 0.70 0.00 0.00 55.95 56.45 2isa s SER 157 Cb -0.34 -1.21 0.23 0.00 -1.71 0.00 0.00 66.02 62.99 2isa s SER 157 CO 0.38 -0.14 1.80 0.00 1.20 0.00 0.00 173.24 176.48 2isa h ALA 158 N 7.99 0.86 0.35 5.45 0.00 -1.92 -1.14 119.26 130.84 2isa h ALA 158 Ca -0.28 0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.65 2isa h ALA 158 Cb 1.10 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.75 2isa h ALA 158 CO 0.48 0.02 -0.37 -0.22 0.00 0.00 0.00 179.25 179.16 2isa h LYS 159 N 0.66 -0.72 -0.56 0.00 3.11 -1.93 0.30 116.57 117.43 2isa h LYS 159 Ca 0.29 0.05 0.11 0.00 -2.81 0.00 0.00 60.65 58.29 2isa h LYS 159 Cb 0.19 0.16 -0.11 0.00 -1.00 0.00 0.00 32.23 31.47 2isa h LYS 159 CO -0.18 -0.48 -0.14 -0.91 -2.81 0.00 0.00 179.45 174.93 2isa h ASN 160 N -0.75 -0.52 -0.16 4.20 -0.26 -1.84 0.17 115.58 116.42 2isa h ASN 160 Ca -0.02 0.17 -0.01 0.00 -0.56 0.00 0.00 56.30 55.88 2isa h ASN 160 Cb 0.68 0.35 -0.01 0.00 -1.06 0.00 0.00 38.32 38.28 2isa h ASN 160 CO -0.08 -0.18 0.06 -1.13 -1.06 0.00 0.00 177.43 175.03 2isa h ASN 161 N 0.00 0.22 0.92 5.81 -0.73 -0.88 -2.40 115.58 118.52 2isa h ASN 161 Ca 0.27 -0.18 -0.22 0.00 1.87 0.00 0.00 56.30 58.04 2isa h ASN 161 Cb 0.41 -0.06 -0.03 0.00 0.27 0.00 0.00 38.32 38.92 2isa h ASN 161 CO -0.58 0.34 -1.08 -0.50 -0.37 0.00 0.00 177.43 175.25 2isa h TRP 162 N 0.09 0.07 -0.20 0.67 4.06 -0.79 -1.62 115.95 118.23 2isa h TRP 162 Ca 0.05 -0.05 0.02 0.00 2.06 0.00 0.00 58.89 60.97 2isa h TRP 162 Cb 0.19 -0.00 -0.02 0.00 -1.00 0.00 0.00 29.16 28.33 2isa h TRP 162 CO -0.01 1.04 0.05 0.22 -3.56 0.00 0.00 178.44 176.18 2isa h ASP 163 N 0.01 0.04 0.31 -3.49 3.58 -0.99 -0.60 116.42 115.28 2isa h ASP 163 Ca -0.04 0.03 -0.02 0.00 0.42 0.00 0.00 57.03 57.42 2isa h ASP 163 Cb 1.81 0.03 0.00 0.00 1.72 0.00 0.00 39.33 42.89 2isa h ASP 163 CO 0.14 0.05 -0.15 0.15 -2.88 0.00 0.00 179.24 176.55 2isa h PHE 164 N 0.14 -0.39 -0.51 0.28 3.57 -1.36 -2.66 116.94 116.01 2isa h PHE 164 Ca 0.09 -0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.58 2isa h PHE 164 Cb 0.07 0.13 -0.02 0.00 2.79 0.00 0.00 35.95 38.92 2isa h PHE 164 CO -0.13 -0.22 0.33 -1.49 -2.23 0.00 0.00 178.31 174.56 2isa h TRP 165 N -0.45 0.64 0.00 0.41 6.55 -1.24 -2.58 115.95 119.28 2isa h TRP 165 Ca -0.04 0.01 0.00 0.00 0.95 0.00 0.00 58.89 59.81 2isa h TRP 165 Cb 0.34 -0.22 0.00 0.00 -0.86 0.00 0.00 29.16 28.42 2isa h TRP 165 CO -0.05 0.42 0.00 0.25 -1.05 0.00 0.00 178.44 178.01 2isa n THR 166 N -4.72 0.77 0.94 1.49 -2.24 -0.24 -1.98 114.28 108.30 2isa n THR 166 Ca 0.02 0.13 0.13 0.00 -2.27 0.00 0.00 64.05 62.06 2isa n THR 166 Cb 0.03 -1.01 0.42 0.00 -2.10 0.00 0.00 70.33 67.67 2isa n THR 166 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 2isa n SER 167 N -2.12 0.31 -3.87 3.42 7.64 -0.98 -4.49 113.62 113.54 2isa n SER 167 Ca 0.03 0.17 -0.30 0.00 1.01 0.00 0.00 58.87 59.78 2isa n SER 167 Cb 0.26 -0.16 -0.14 0.00 -1.01 0.00 0.00 64.21 63.16 2isa n SER 167 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 2isa s LEU 168 N -3.20 3.72 0.52 -3.43 1.43 -0.84 -4.98 118.68 111.91 2isa s LEU 168 Ca 0.12 -2.80 0.21 0.00 -1.03 0.00 0.00 54.13 50.62 2isa s LEU 168 Cb 0.18 -1.41 1.33 0.00 0.03 0.00 0.00 46.19 46.32 2isa s LEU 168 CO 0.62 -0.26 2.07 1.55 0.23 0.00 0.00 176.35 180.56 2isa h PRO 169 N 6.67 0.01 -0.06 1.29 0.13 -1.79 0.47 132.00 138.73 2isa h PRO 169 Ca -0.06 -0.00 0.02 0.00 -0.87 0.00 0.00 66.00 65.09 2isa h PRO 169 Cb 0.91 -0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.04 2isa h PRO 169 CO 0.60 0.00 0.09 1.05 -0.23 0.00 0.00 178.00 179.51 2isa h GLU 170 N 0.01 0.00 0.00 0.86 9.09 -1.87 -2.11 114.58 120.55 2isa h GLU 170 Ca 0.13 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.54 2isa h GLU 170 Cb 0.52 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.62 2isa h GLU 170 CO -0.00 0.00 0.00 0.00 0.05 0.00 0.00 179.01 179.06 2isa n ALA 171 N -2.24 1.69 -0.33 1.06 0.00 0.16 -3.94 120.51 116.91 2isa n ALA 171 Ca -0.02 0.03 0.05 0.00 0.00 0.00 0.00 53.44 53.51 2isa n ALA 171 Cb 0.18 -1.33 0.21 0.00 0.00 0.00 0.00 19.45 18.50 2isa n ALA 171 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 2isa h LEU 172 N 0.00 0.81 0.01 0.00 5.85 -1.54 -1.54 115.31 118.89 2isa h LEU 172 Ca 0.00 0.05 0.01 0.00 0.84 0.00 0.00 57.88 58.78 2isa h LEU 172 Cb 0.33 -0.11 -0.02 0.00 0.37 0.00 0.00 40.66 41.24 2isa h LEU 172 CO 0.00 0.44 -0.08 -0.74 -0.34 0.00 0.00 178.44 177.72 2isa h HIS 173 N 0.90 -0.19 -0.22 1.25 2.76 -1.82 0.75 115.15 118.58 2isa h HIS 173 Ca 0.46 0.01 -0.20 0.00 -2.20 0.00 0.00 60.37 58.43 2isa h HIS 173 Cb 0.45 0.08 0.00 0.00 1.55 0.00 0.00 27.41 29.49 2isa h HIS 173 CO -0.03 -0.12 -0.65 0.37 -1.30 0.00 0.00 177.93 176.20 2isa h GLN 174 N -0.14 0.83 -0.63 5.26 5.75 -1.73 -2.53 115.11 121.93 2isa h GLN 174 Ca 0.03 -0.59 0.10 0.00 -0.15 0.00 0.00 58.65 58.04 2isa h GLN 174 Cb 0.17 0.10 -0.08 0.00 1.07 0.00 0.00 27.48 28.74 2isa h GLN 174 CO -0.07 1.21 0.23 0.28 -2.65 0.00 0.00 178.83 177.83 2isa h VAL 175 N 0.61 0.74 -0.36 2.39 2.07 -1.15 0.48 116.25 121.03 2isa h VAL 175 Ca -0.02 -0.14 0.04 0.00 0.82 0.00 0.00 66.70 67.41 2isa h VAL 175 Cb 1.27 0.31 -0.04 0.00 -1.52 0.00 0.00 31.29 31.31 2isa h VAL 175 CO 0.14 0.07 0.12 0.74 0.02 0.00 0.00 177.57 178.66 2isa h THR 176 N 0.40 0.89 0.09 2.57 2.02 -0.75 -0.93 112.91 117.20 2isa h THR 176 Ca 0.32 -0.09 -0.00 0.00 0.77 0.00 0.00 66.41 67.41 2isa h THR 176 Cb 0.42 0.60 0.00 0.00 -1.74 0.00 0.00 68.15 67.43 2isa h THR 176 CO -0.33 0.05 -0.04 0.40 0.37 0.00 0.00 175.52 175.97 2isa h ILE 177 N 0.26 0.95 0.00 3.11 2.04 -0.86 -0.25 117.51 122.76 2isa h ILE 177 Ca 0.16 -0.12 -0.04 0.00 1.00 0.00 0.00 64.86 65.86 2isa h ILE 177 Cb 0.14 1.02 -0.01 0.00 -0.74 0.00 0.00 36.82 37.24 2isa h ILE 177 CO -0.17 0.03 -0.19 1.62 0.00 0.00 0.00 178.15 179.44 2isa h VAL 178 N -0.18 0.55 0.00 1.67 3.04 -0.87 -2.07 116.25 118.39 2isa h VAL 178 Ca -0.01 -0.90 0.00 0.00 -1.01 0.00 0.00 66.70 64.78 2isa h VAL 178 Cb 0.14 1.61 0.00 0.00 -2.01 0.00 0.00 31.29 31.03 2isa h VAL 178 CO 0.02 0.18 -0.36 0.24 -1.01 0.00 0.00 177.57 176.64 2isa h MET 179 N 0.00 0.00 -7.56 4.17 2.86 -0.95 -3.35 114.93 110.10 2isa h MET 179 Ca -0.00 0.00 -0.44 0.00 -2.06 0.00 0.00 59.70 57.20 2isa h MET 179 Cb 0.59 0.00 0.16 0.00 0.06 0.00 0.00 31.60 32.42 2isa h MET 179 CO 0.02 0.00 0.27 -1.54 1.06 0.00 0.00 176.91 176.73 2isa s SER 180 N -4.44 2.38 0.62 1.22 1.04 -0.12 -4.44 113.70 109.96 2isa s SER 180 Ca 0.08 0.62 0.33 0.00 0.48 0.00 0.00 55.95 57.46 2isa s SER 180 Cb 0.13 -0.91 1.90 0.00 0.10 0.00 0.00 66.02 67.24 2isa s SER 180 CO 0.67 -3.22 2.20 -2.24 0.98 0.00 0.00 173.24 171.63 2isa h ASP 181 N -1.97 0.00 0.00 7.02 2.03 -1.86 -1.96 116.42 119.69 2isa h ASP 181 Ca -0.47 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 55.83 2isa h ASP 181 Cb 1.29 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.79 2isa h ASP 181 CO 0.44 0.00 0.00 0.54 -1.03 0.00 0.00 179.24 179.19 2isa n ARG 182 N -3.55 0.90 0.25 4.15 1.74 -1.26 -3.62 116.66 115.27 2isa n ARG 182 Ca -0.01 0.00 0.14 0.00 -0.77 0.00 0.00 57.85 57.21 2isa n ARG 182 Cb 0.19 -1.41 0.56 0.00 -1.02 0.00 0.00 32.46 30.78 2isa n ARG 182 CO 0.00 0.00 0.00 0.78 -1.52 0.00 0.00 177.63 176.89 2isa h GLY 183 N 4.68 0.00 -6.98 -0.13 0.00 -1.45 -3.36 103.07 95.81 2isa h GLY 183 Ca 0.00 0.00 -0.61 0.00 0.00 0.00 0.00 47.33 46.72 2isa h GLY 183 CO 0.00 0.00 -0.73 -0.42 0.00 0.00 0.00 176.54 175.39 2isa s ILE 184 N -3.61 1.49 0.55 2.60 1.01 -1.24 -1.84 121.20 120.15 2isa s ILE 184 Ca 0.02 -2.69 -0.21 0.00 0.00 0.00 0.00 60.65 57.76 2isa s ILE 184 Cb 0.09 -2.04 -0.05 0.00 0.01 0.00 0.00 42.46 40.47 2isa s ILE 184 CO 0.59 -0.91 1.30 -2.84 0.00 0.00 0.00 174.94 173.07 2isa s PRO 185 N 0.21 3.18 0.25 2.79 0.02 -1.26 -0.56 135.00 139.63 2isa s PRO 185 Ca 0.19 2.08 -0.00 0.00 0.02 0.00 0.00 61.00 63.28 2isa s PRO 185 Cb -0.22 -2.20 0.31 0.00 0.02 0.00 0.00 34.50 32.41 2isa s PRO 185 CO -0.02 -1.11 1.68 0.00 -0.33 0.00 0.00 177.00 177.22 2isa h ALA 186 N 1.40 1.00 -2.80 -1.55 0.00 -0.71 -3.42 119.26 113.19 2isa h ALA 186 Ca -0.51 -0.36 -0.06 0.00 0.00 0.00 0.00 54.91 53.99 2isa h ALA 186 Cb 1.29 -0.13 -0.10 0.00 0.00 0.00 0.00 17.79 18.85 2isa h ALA 186 CO 0.57 0.59 -0.13 0.95 0.00 0.00 0.00 179.25 181.23 2isa s THR 187 N -4.53 0.02 0.50 0.00 -4.23 -1.26 -4.92 115.64 101.22 2isa s THR 187 Ca -0.08 -1.27 0.41 0.00 -1.18 0.00 0.00 61.69 59.57 2isa s THR 187 Cb 0.13 -1.99 0.43 0.00 1.34 0.00 0.00 72.50 72.41 2isa s THR 187 CO 0.81 -0.09 2.25 1.88 -0.54 0.00 0.00 174.62 178.93 2isa h TYR 188 N 2.31 0.00 0.00 3.99 0.05 -1.88 -2.67 116.97 118.77 2isa h TYR 188 Ca -0.28 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.50 2isa h TYR 188 Cb 1.25 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.99 2isa h TYR 188 CO 0.39 0.00 -0.16 0.00 -1.05 0.00 0.00 178.16 177.35 2isa h ARG 189 N 0.00 0.00 -0.51 4.88 3.08 -1.96 -3.33 114.38 116.54 2isa h ARG 189 Ca -0.00 0.00 -0.32 0.00 0.07 0.00 0.00 59.98 59.73 2isa h ARG 189 Cb 0.16 0.00 -0.20 0.00 0.08 0.00 0.00 29.97 30.01 2isa h ARG 189 CO 0.00 0.00 -0.14 0.72 -1.07 0.00 0.00 179.97 179.48 2isa n HIS 190 N -2.29 1.69 -4.19 3.04 8.25 -1.01 -4.45 115.22 116.27 2isa n HIS 190 Ca 0.05 -1.92 -0.13 0.00 -0.26 0.00 0.00 57.72 55.46 2isa n HIS 190 Cb 0.44 -0.57 -0.10 0.00 1.12 0.00 0.00 29.99 30.87 2isa n HIS 190 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2isa s MET 191 N -3.40 0.88 0.63 -0.41 0.23 -1.25 -2.17 119.30 113.81 2isa s MET 191 Ca 0.48 -1.27 -0.05 0.00 -1.03 0.00 0.00 55.69 53.82 2isa s MET 191 Cb 0.42 -0.44 0.04 0.00 -1.53 0.00 0.00 34.83 33.32 2isa s MET 191 CO 0.00 0.05 0.92 -1.01 -2.03 0.00 0.00 175.02 172.95 2isa s HIS 192 N -3.00 3.03 0.10 3.16 0.09 -1.26 -4.34 115.29 113.06 2isa s HIS 192 Ca 0.10 0.42 0.06 0.00 -0.00 0.00 0.00 55.06 55.64 2isa s HIS 192 Cb 0.01 -2.93 -0.03 0.00 -0.00 0.00 0.00 32.58 29.62 2isa s HIS 192 CO -0.01 -1.08 -0.17 0.20 -0.00 0.00 0.00 174.74 173.68 2isa s GLY 193 N -4.42 1.06 -0.05 -2.22 0.00 0.37 -4.23 107.32 97.83 2isa s GLY 193 Ca 0.57 -1.17 -0.10 0.00 0.00 0.00 0.00 44.72 44.03 2isa s GLY 193 CO 0.43 -1.20 0.23 -1.36 0.00 0.00 0.00 173.10 171.21 2isa s PHE 194 N -1.46 -0.16 0.15 1.90 0.40 -0.06 0.53 117.98 119.28 2isa s PHE 194 Ca 0.04 0.35 0.28 0.00 -0.60 0.00 0.00 56.93 57.00 2isa s PHE 194 Cb -0.09 0.05 1.14 0.00 0.51 0.00 0.00 43.02 44.64 2isa s PHE 194 CO 0.03 -0.23 1.91 0.78 0.70 0.00 0.00 175.22 178.41 2isa h GLY 195 N 4.92 0.00 0.00 4.36 0.00 -1.68 -2.01 103.07 108.66 2isa h GLY 195 Ca -0.28 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.05 2isa h GLY 195 CO 0.38 0.00 0.00 1.44 0.00 0.00 0.00 176.54 178.36 2isa n SER 196 N -3.30 0.00 -4.73 0.19 7.64 -1.26 -4.78 113.62 107.38 2isa n SER 196 Ca 0.00 0.00 -0.34 0.00 1.01 0.00 0.00 58.87 59.54 2isa n SER 196 Cb 0.36 0.00 0.09 0.00 -1.01 0.00 0.00 64.21 63.65 2isa n SER 196 CO 0.00 0.00 0.00 -1.00 -3.01 0.00 0.00 175.04 171.03 2isa s HIS 197 N 0.00 2.12 0.07 1.43 3.76 -1.26 -4.79 115.29 116.61 2isa s HIS 197 Ca 0.00 1.59 -0.31 0.00 -0.15 0.00 0.00 55.06 56.19 2isa s HIS 197 Cb 0.00 -3.44 -0.07 0.00 1.11 0.00 0.00 32.58 30.17 2isa s HIS 197 CO 0.00 -2.51 1.42 0.99 -0.85 0.00 0.00 174.74 173.79 2isa s THR 198 N -2.00 3.40 0.00 1.30 2.01 -1.26 -4.63 115.64 114.46 2isa s THR 198 Ca 0.74 0.94 0.00 0.00 0.31 0.00 0.00 61.69 63.68 2isa s THR 198 Cb -0.28 -3.60 0.00 0.00 0.01 0.00 0.00 72.50 68.62 2isa s THR 198 CO 0.44 0.04 0.00 0.49 -0.69 0.00 0.00 174.62 174.91 2isa n PHE 199 N 4.56 -0.45 -4.18 4.92 3.01 0.38 -4.09 117.46 121.61 2isa n PHE 199 Ca 0.12 0.00 -0.16 0.00 1.01 0.00 0.00 57.45 58.42 2isa n PHE 199 Cb 0.43 0.00 -0.11 0.00 -0.01 0.00 0.00 39.48 39.78 2isa n PHE 199 CO 0.00 0.00 0.00 -1.54 1.01 0.00 0.00 176.76 176.23 2isa s SER 200 N -0.92 1.57 -0.08 4.37 1.04 -0.45 -0.52 113.70 118.72 2isa s SER 200 Ca 0.00 -0.73 0.00 0.00 0.48 0.00 0.00 55.95 55.71 2isa s SER 200 Cb 0.00 -0.02 -0.03 0.00 0.10 0.00 0.00 66.02 66.07 2isa s SER 200 CO 0.00 -0.18 -0.06 -0.36 0.98 0.00 0.00 173.24 173.62 2isa s PHE 201 N -1.92 2.95 -0.13 5.02 0.08 0.47 -0.88 117.98 123.59 2isa s PHE 201 Ca 0.02 -0.00 0.03 0.00 0.12 0.00 0.00 56.93 57.10 2isa s PHE 201 Cb -0.06 -1.73 0.01 0.00 -0.57 0.00 0.00 43.02 40.66 2isa s PHE 201 CO 0.01 0.30 -0.22 0.42 -0.10 0.00 0.00 175.22 175.64 2isa s ILE 202 N -0.71 2.00 0.49 0.64 -1.09 -0.60 -0.90 121.20 121.03 2isa s ILE 202 Ca 0.11 -0.96 0.03 0.00 -2.23 0.00 0.00 60.65 57.60 2isa s ILE 202 Cb -0.11 -1.76 0.09 0.00 -1.58 0.00 0.00 42.46 39.09 2isa s ILE 202 CO 0.02 0.54 0.67 -0.46 -1.23 0.00 0.00 174.94 174.48 2isa n ASN 203 N 3.92 1.24 -0.04 3.58 0.23 -0.77 -1.70 115.26 121.72 2isa n ASN 203 Ca -0.20 -1.97 0.23 0.00 -0.53 0.00 0.00 54.58 52.12 2isa n ASN 203 Cb 0.52 -0.41 0.72 0.00 -2.08 0.00 0.00 39.78 38.53 2isa n ASN 203 CO 0.00 0.00 0.00 0.28 -0.93 0.00 0.00 177.26 176.61 2isa h SER 204 N -0.22 0.00 -0.61 0.53 0.02 -1.88 -1.20 113.55 110.20 2isa h SER 204 Ca -0.22 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.73 2isa h SER 204 Cb 0.91 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.45 2isa h SER 204 CO 0.27 0.00 0.00 0.47 -1.14 0.00 0.00 176.83 176.43 2isa n ASP 205 N -4.18 4.38 -1.80 3.07 8.00 -1.26 -4.92 116.55 119.84 2isa n ASP 205 Ca 0.12 -2.38 -0.21 0.00 0.71 0.00 0.00 54.79 53.04 2isa n ASP 205 Cb 0.74 -0.55 -0.07 0.00 -0.02 0.00 0.00 41.12 41.22 2isa n ASP 205 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 2isa n ASN 206 N 1.08 -5.60 -4.80 -2.24 4.13 -0.45 -5.00 115.26 102.39 2isa n ASN 206 Ca 0.24 0.37 -0.37 0.00 1.68 0.00 0.00 54.58 56.50 2isa n ASN 206 Cb 0.81 -4.83 -0.06 0.00 -1.54 0.00 0.00 39.78 34.16 2isa n ASN 206 CO 0.00 0.00 0.00 -1.61 0.28 0.00 0.00 177.26 175.93 2isa s GLU 207 N -4.10 4.40 -0.10 3.52 2.02 -1.26 -4.64 118.70 118.54 2isa s GLU 207 Ca 0.00 1.07 -0.02 0.00 0.02 0.00 0.00 54.97 56.04 2isa s GLU 207 Cb 0.00 -2.86 -0.03 0.00 0.10 0.00 0.00 34.13 31.33 2isa s GLU 207 CO 0.00 0.36 -0.02 0.50 0.02 0.00 0.00 175.26 176.12 2isa s ARG 208 N -1.97 3.07 0.03 1.61 3.52 -1.26 -1.85 118.95 122.10 2isa s ARG 208 Ca 0.46 -0.45 0.06 0.00 -0.13 0.00 0.00 55.73 55.67 2isa s ARG 208 Cb -0.18 -2.78 -0.02 0.00 -1.56 0.00 0.00 34.95 30.41 2isa s ARG 208 CO 0.22 0.61 -0.19 0.71 -0.81 0.00 0.00 175.30 175.85 2isa s TYR 209 N -0.64 1.63 0.20 5.12 1.51 -0.08 -3.23 117.35 121.86 2isa s TYR 209 Ca 0.10 -0.35 -0.21 0.00 -1.01 0.00 0.00 57.07 55.60 2isa s TYR 209 Cb -0.12 -0.99 -0.08 0.00 -0.11 0.00 0.00 41.96 40.66 2isa s TYR 209 CO 0.02 0.05 0.72 -1.58 -1.11 0.00 0.00 175.55 173.65 2isa s TRP 210 N -0.71 3.72 0.01 2.71 0.52 0.57 -0.39 118.94 125.36 2isa s TRP 210 Ca 0.06 1.43 0.00 0.00 0.02 0.00 0.00 56.10 57.61 2isa s TRP 210 Cb -0.08 -2.64 -0.01 0.00 -1.15 0.00 0.00 33.47 29.59 2isa s TRP 210 CO 0.01 0.40 -0.03 0.54 0.02 0.00 0.00 176.95 177.89 2isa s VAL 211 N -1.41 0.15 -0.05 4.03 0.11 0.32 -0.08 120.40 123.48 2isa s VAL 211 Ca 0.40 -0.53 0.04 0.00 -2.93 0.00 0.00 61.98 58.97 2isa s VAL 211 Cb -0.18 -0.22 -0.02 0.00 -1.53 0.00 0.00 36.38 34.43 2isa s VAL 211 CO 0.22 -0.24 -0.17 -0.54 -3.33 0.00 0.00 175.10 171.04 2isa s LYS 212 N -0.80 2.49 -0.14 1.54 -0.14 -0.65 -0.47 119.74 121.57 2isa s LYS 212 Ca -0.08 -0.75 -0.05 0.00 -1.36 0.00 0.00 55.97 53.73 2isa s LYS 212 Cb -0.06 -2.32 -0.04 0.00 -1.68 0.00 0.00 37.83 33.74 2isa s LYS 212 CO -0.00 0.57 0.05 -0.06 -0.76 0.00 0.00 175.35 175.15 2isa s PHE 213 N -0.61 3.26 -0.04 3.18 0.08 -1.26 -2.02 117.98 120.58 2isa s PHE 213 Ca 0.09 0.16 0.03 0.00 0.12 0.00 0.00 56.93 57.33 2isa s PHE 213 Cb -0.11 -1.95 0.01 0.00 -0.57 0.00 0.00 43.02 40.40 2isa s PHE 213 CO 0.01 0.34 -0.11 -1.01 -0.10 0.00 0.00 175.22 174.35 2isa s HIS 214 N -0.28 1.15 -0.25 0.36 3.76 0.41 -1.96 115.29 118.48 2isa s HIS 214 Ca 0.08 -0.32 0.02 0.00 -0.15 0.00 0.00 55.06 54.69 2isa s HIS 214 Cb -0.12 -0.82 0.06 0.00 1.11 0.00 0.00 32.58 32.80 2isa s HIS 214 CO 0.02 -0.15 -0.11 -0.06 -0.85 0.00 0.00 174.74 173.59 2isa s PHE 215 N 0.29 3.05 -0.25 1.40 0.40 0.19 -0.23 117.98 122.83 2isa s PHE 215 Ca -0.06 -2.15 -0.15 0.00 -0.60 0.00 0.00 56.93 53.97 2isa s PHE 215 Cb -0.11 -1.86 -0.04 0.00 0.51 0.00 0.00 43.02 41.52 2isa s PHE 215 CO 0.01 -0.85 0.39 0.08 0.70 0.00 0.00 175.22 175.55 2isa s VAL 216 N 1.18 5.17 0.05 -0.44 1.01 0.29 -0.48 120.40 127.19 2isa s VAL 216 Ca -0.07 0.62 -0.31 0.00 0.00 0.00 0.00 61.98 62.23 2isa s VAL 216 Cb -0.19 -3.71 -0.08 0.00 0.00 0.00 0.00 36.38 32.40 2isa s VAL 216 CO -0.06 0.17 1.66 -0.55 0.00 0.00 0.00 175.10 176.32 2isa s SER 217 N 1.50 6.61 0.15 3.32 0.15 -1.26 -0.61 113.70 123.55 2isa s SER 217 Ca 0.16 2.46 0.25 0.00 0.70 0.00 0.00 55.95 59.52 2isa s SER 217 Cb -0.15 -2.56 0.92 0.00 -1.71 0.00 0.00 66.02 62.52 2isa s SER 217 CO 0.09 -0.89 1.75 0.00 1.20 0.00 0.00 173.24 175.39 2isa n GLN 218 N 5.82 0.15 0.03 5.44 6.02 -0.31 -2.71 117.38 131.82 2isa n GLN 218 Ca 0.16 0.22 0.13 0.00 -0.01 0.00 0.00 57.00 57.50 2isa n GLN 218 Cb 0.41 -1.71 0.37 0.00 1.02 0.00 0.00 30.24 30.33 2isa n GLN 218 CO 0.00 0.00 0.00 1.04 -1.01 0.00 0.00 177.06 177.09 2isa n GLN 219 N -1.98 0.11 0.00 -1.09 3.00 -1.26 -5.00 117.38 111.16 2isa n GLN 219 Ca 0.05 0.06 0.00 0.00 -0.01 0.00 0.00 57.00 57.09 2isa n GLN 219 Cb 0.32 -1.59 0.00 0.00 0.00 0.00 0.00 30.24 28.97 2isa n GLN 219 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 2isa n GLY 220 N 1.43 -1.49 3.73 1.08 0.00 -1.10 -4.91 105.19 103.93 2isa n GLY 220 Ca 0.05 -1.57 -0.40 0.00 0.00 0.00 0.00 46.02 44.10 2isa n GLY 220 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2isa s ILE 221 N -2.18 4.91 -0.00 -0.61 -1.09 -1.26 -4.34 121.20 116.63 2isa s ILE 221 Ca 0.00 1.59 0.01 0.00 -2.23 0.00 0.00 60.65 60.02 2isa s ILE 221 Cb 0.00 -4.10 -0.00 0.00 -1.58 0.00 0.00 42.46 36.78 2isa s ILE 221 CO 0.00 0.28 -0.03 -0.54 -1.23 0.00 0.00 174.94 173.42 2isa s LYS 222 N 0.49 0.24 0.18 2.79 1.02 -0.92 -5.04 119.74 118.50 2isa s LYS 222 Ca 0.40 -0.11 0.05 0.00 0.02 0.00 0.00 55.97 56.33 2isa s LYS 222 Cb -0.19 -0.23 -0.05 0.00 -0.52 0.00 0.00 37.83 36.84 2isa s LYS 222 CO 0.21 0.06 -0.09 -0.80 -0.92 0.00 0.00 175.35 173.81 2isa s ASN 223 N -0.08 1.99 -0.06 2.83 0.01 -1.26 -0.03 114.94 118.33 2isa s ASN 223 Ca 0.01 -1.05 0.02 0.00 -0.71 0.00 0.00 52.86 51.13 2isa s ASN 223 Cb -0.01 -0.04 -0.03 0.00 0.41 0.00 0.00 41.25 41.58 2isa s ASN 223 CO -0.00 -0.33 -0.12 -0.76 -1.51 0.00 0.00 177.10 174.38 2isa s LEU 224 N -3.23 2.84 0.91 0.60 1.43 0.28 -4.63 118.68 116.88 2isa s LEU 224 Ca 0.20 -0.17 -0.12 0.00 -1.03 0.00 0.00 54.13 53.01 2isa s LEU 224 Cb 0.02 -1.59 0.14 0.00 0.03 0.00 0.00 46.19 44.79 2isa s LEU 224 CO 0.03 0.33 1.10 -0.94 0.23 0.00 0.00 176.35 177.10 2isa s SER 225 N -0.61 3.43 0.25 2.29 1.04 -1.26 -4.52 113.70 114.31 2isa s SER 225 Ca 0.09 1.23 -0.05 0.00 0.48 0.00 0.00 55.95 57.70 2isa s SER 225 Cb -0.11 -1.90 0.33 0.00 0.10 0.00 0.00 66.02 64.44 2isa s SER 225 CO 0.01 -2.63 1.88 0.44 0.98 0.00 0.00 173.24 173.92 2isa h ASP 226 N -1.55 0.95 -0.22 7.02 3.32 -1.99 -0.32 116.42 123.64 2isa h ASP 226 Ca -0.51 0.00 -0.03 0.00 0.02 0.00 0.00 57.03 56.52 2isa h ASP 226 Cb 1.31 -0.20 -0.01 0.00 0.22 0.00 0.00 39.33 40.65 2isa h ASP 226 CO 0.58 0.63 0.02 0.00 -1.72 0.00 0.00 179.24 178.76 2isa h ALA 227 N 1.40 0.30 -0.25 3.45 0.00 -1.99 -0.56 119.26 121.60 2isa h ALA 227 Ca 0.38 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 55.11 2isa h ALA 227 Cb 0.09 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 2isa h ALA 227 CO -0.15 -0.01 0.16 0.93 0.00 0.00 0.00 179.25 180.18 2isa h GLU 228 N 0.17 0.32 -0.82 0.00 5.08 -1.85 -1.69 114.58 115.79 2isa h GLU 228 Ca 0.07 -0.02 -0.03 0.00 -1.00 0.00 0.00 59.36 58.37 2isa h GLU 228 Cb 0.35 -0.07 -0.04 0.00 0.50 0.00 0.00 28.75 29.49 2isa h GLU 228 CO 0.01 0.21 0.37 0.00 -1.00 0.00 0.00 179.01 178.60 2isa h ALA 229 N 1.10 1.06 -0.10 3.43 0.00 -0.98 -0.87 119.26 122.89 2isa h ALA 229 Ca 0.09 -0.17 0.03 0.00 0.00 0.00 0.00 54.91 54.86 2isa h ALA 229 Cb -0.03 -0.32 -0.03 0.00 0.00 0.00 0.00 17.79 17.41 2isa h ALA 229 CO -0.03 0.64 -0.06 0.78 0.00 0.00 0.00 179.25 180.58 2isa h GLY 230 N 1.17 0.02 0.52 0.00 0.00 -0.91 0.11 103.07 103.99 2isa h GLY 230 Ca 0.28 0.08 0.08 0.00 0.00 0.00 0.00 47.33 47.76 2isa h GLY 230 CO -0.03 -0.08 0.30 -2.09 0.00 0.00 0.00 176.54 174.64 2isa h GLU 231 N -0.06 0.52 -0.16 4.80 4.81 -0.90 -2.28 114.58 121.31 2isa h GLU 231 Ca 0.06 -0.03 -0.05 0.00 -0.13 0.00 0.00 59.36 59.21 2isa h GLU 231 Cb 0.15 -0.12 -0.00 0.00 0.63 0.00 0.00 28.75 29.41 2isa h GLU 231 CO -0.14 0.34 -0.08 1.25 -0.73 0.00 0.00 179.01 179.65 2isa h LEU 232 N 0.53 0.35 -0.90 1.64 5.85 -0.68 -3.15 115.31 118.95 2isa h LEU 232 Ca 0.30 -0.42 0.11 0.00 0.84 0.00 0.00 57.88 58.72 2isa h LEU 232 Cb 0.30 -0.10 -0.08 0.00 0.37 0.00 0.00 40.66 41.15 2isa h LEU 232 CO -0.25 0.70 0.54 0.58 -0.34 0.00 0.00 178.44 179.67 2isa h VAL 233 N 0.01 0.89 -0.41 1.05 2.07 -0.61 0.42 116.25 119.68 2isa h VAL 233 Ca 0.04 -0.29 0.08 0.00 0.82 0.00 0.00 66.70 67.34 2isa h VAL 233 Cb 0.56 -0.04 -0.02 0.00 -1.52 0.00 0.00 31.29 30.27 2isa h VAL 233 CO 0.02 0.16 0.28 1.23 0.02 0.00 0.00 177.57 179.28 2isa h GLY 234 N 0.86 0.28 0.97 2.17 0.00 -1.38 -2.65 103.07 103.33 2isa h GLY 234 Ca 0.45 -0.09 -0.27 0.00 0.00 0.00 0.00 47.33 47.42 2isa h GLY 234 CO -0.27 0.06 -1.67 0.70 0.00 0.00 0.00 176.54 175.36 2isa n ASN 235 N -4.46 0.86 -3.22 0.19 5.03 -0.53 -4.95 115.26 108.17 2isa n ASN 235 Ca 0.06 0.41 0.04 0.00 0.87 0.00 0.00 54.58 55.95 2isa n ASN 235 Cb 0.32 -0.02 -0.02 0.00 -1.02 0.00 0.00 39.78 39.05 2isa n ASN 235 CO 0.00 0.00 0.00 -0.62 -1.83 0.00 0.00 177.26 174.81 2isa s ASP 236 N -6.04 -1.09 0.00 6.41 2.15 0.03 -4.99 116.67 113.14 2isa s ASP 236 Ca -0.04 0.82 0.31 0.00 0.43 0.00 0.00 52.55 54.06 2isa s ASP 236 Cb 0.08 1.97 1.68 0.00 -0.30 0.00 0.00 42.92 46.35 2isa s ASP 236 CO 0.82 -0.20 2.12 0.54 -0.17 0.00 0.00 175.17 178.28 2isa n ARG 237 N 5.41 0.76 -0.45 4.34 3.00 -1.25 -3.97 116.66 124.50 2isa n ARG 237 Ca -0.04 -0.04 0.07 0.00 -0.01 0.00 0.00 57.85 57.83 2isa n ARG 237 Cb 0.51 -1.50 0.19 0.00 0.00 0.00 0.00 32.46 31.67 2isa n ARG 237 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.63 178.02 2isa n GLU 238 N -1.08 1.50 -0.33 5.56 -0.58 -1.26 -1.70 120.64 122.74 2isa n GLU 238 Ca 0.19 -3.10 0.07 0.00 -0.42 0.00 0.00 57.16 53.90 2isa n GLU 238 Cb 0.18 -1.58 0.23 0.00 -0.57 0.00 0.00 31.44 29.70 2isa n GLU 238 CO 0.00 0.00 0.00 0.66 -0.48 0.00 0.00 177.13 177.31 2isa h SER 239 N 0.72 0.77 0.45 1.62 4.64 -1.95 -0.39 113.55 119.41 2isa h SER 239 Ca -0.00 0.06 -0.31 0.00 -0.47 0.00 0.00 61.79 61.08 2isa h SER 239 Cb 1.00 -0.08 0.00 0.00 -0.31 0.00 0.00 62.40 63.01 2isa h SER 239 CO 0.00 0.39 -1.48 0.45 -0.87 0.00 0.00 176.83 175.31 2isa h HIS 240 N 0.85 0.54 -0.16 4.77 3.86 -1.91 -1.18 115.15 121.92 2isa h HIS 240 Ca 0.48 -0.39 0.02 0.00 -1.16 0.00 0.00 60.37 59.31 2isa h HIS 240 Cb 0.54 -0.02 -0.02 0.00 1.06 0.00 0.00 27.41 28.97 2isa h HIS 240 CO -0.03 1.40 0.03 0.37 0.86 0.00 0.00 177.93 180.56 2isa h GLN 241 N 0.08 0.09 -0.11 2.45 5.75 -1.91 -1.91 115.11 119.54 2isa h GLN 241 Ca -0.23 -0.01 0.02 0.00 -0.15 0.00 0.00 58.65 58.29 2isa h GLN 241 Cb 2.03 -0.02 -0.02 0.00 1.07 0.00 0.00 27.48 30.54 2isa h GLN 241 CO 0.18 0.06 -0.02 -0.09 -2.65 0.00 0.00 178.83 176.31 2isa h ARG 242 N 0.09 0.01 -0.10 1.69 2.43 -1.04 0.02 114.38 117.48 2isa h ARG 242 Ca 0.07 -0.00 0.03 0.00 -0.81 0.00 0.00 59.98 59.27 2isa h ARG 242 Cb 0.07 -0.00 -0.04 0.00 -0.42 0.00 0.00 29.97 29.57 2isa h ARG 242 CO -0.10 0.01 -0.13 0.22 -1.51 0.00 0.00 179.97 178.46 2isa h ASP 243 N 0.01 -0.40 -0.08 -3.80 3.58 -1.21 -0.47 116.42 114.05 2isa h ASP 243 Ca 0.05 0.07 -0.01 0.00 0.42 0.00 0.00 57.03 57.57 2isa h ASP 243 Cb 0.08 0.19 -0.00 0.00 1.72 0.00 0.00 39.33 41.32 2isa h ASP 243 CO -0.11 -0.18 0.02 0.25 -2.88 0.00 0.00 179.24 176.34 2isa h LEU 244 N -0.17 0.12 -0.14 2.28 5.85 -1.01 -0.69 115.31 121.55 2isa h LEU 244 Ca 0.08 -0.25 0.03 0.00 0.84 0.00 0.00 57.88 58.58 2isa h LEU 244 Cb 0.29 -0.03 -0.03 0.00 0.37 0.00 0.00 40.66 41.25 2isa h LEU 244 CO -0.20 0.34 -0.05 0.25 -0.34 0.00 0.00 178.44 178.44 2isa h LEU 245 N -0.10 -0.17 -0.91 2.25 5.85 -0.99 -2.60 115.31 118.64 2isa h LEU 245 Ca 0.02 0.05 -0.08 0.00 0.84 0.00 0.00 57.88 58.72 2isa h LEU 245 Cb 0.27 0.10 -0.02 0.00 0.37 0.00 0.00 40.66 41.38 2isa h LEU 245 CO 0.00 -0.06 -0.02 0.44 -0.34 0.00 0.00 178.44 178.45 2isa h ASP 246 N -0.02 0.75 -0.63 1.25 5.19 -1.01 -1.17 116.42 120.77 2isa h ASP 246 Ca 0.07 -0.19 -0.03 0.00 -0.62 0.00 0.00 57.03 56.26 2isa h ASP 246 Cb 0.13 -0.20 -0.03 0.00 0.18 0.00 0.00 39.33 39.41 2isa h ASP 246 CO -0.15 0.83 0.28 0.28 -3.12 0.00 0.00 179.24 177.35 2isa h SER 247 N 0.72 0.86 -0.24 6.45 0.02 -0.97 -1.02 113.55 119.37 2isa h SER 247 Ca 0.14 -0.15 -0.15 0.00 -0.84 0.00 0.00 61.79 60.78 2isa h SER 247 Cb 0.47 -0.22 0.00 0.00 0.14 0.00 0.00 62.40 62.79 2isa h SER 247 CO 0.02 0.78 -0.45 0.40 -1.14 0.00 0.00 176.83 176.44 2isa h ILE 248 N 0.88 1.30 0.00 3.27 2.04 -1.35 0.22 117.51 123.88 2isa h ILE 248 Ca 0.21 -1.66 0.00 0.00 1.00 0.00 0.00 64.86 64.42 2isa h ILE 248 Cb 0.17 1.76 0.00 0.00 -0.74 0.00 0.00 36.82 38.01 2isa h ILE 248 CO -0.02 0.53 0.00 0.44 0.00 0.00 0.00 178.15 179.09 2isa h ASP 249 N 0.45 0.00 -0.30 1.72 3.32 -1.06 -1.67 116.42 118.87 2isa h ASP 249 Ca 0.01 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.06 2isa h ASP 249 Cb 1.05 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.60 2isa h ASP 249 CO 0.10 0.00 0.00 0.59 -1.72 0.00 0.00 179.24 178.21 2isa n ASN 250 N -2.76 3.37 -3.38 6.45 5.03 -0.40 -4.99 115.26 118.58 2isa n ASN 250 Ca -0.01 -2.48 -0.24 0.00 0.87 0.00 0.00 54.58 52.73 2isa n ASN 250 Cb 0.17 -0.38 0.04 0.00 -1.02 0.00 0.00 39.78 38.59 2isa n ASN 250 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 2isa n GLN 251 N 0.03 -5.75 -3.32 3.52 3.00 -0.63 -4.93 117.38 109.30 2isa n GLN 251 Ca 0.16 0.78 -0.40 0.00 -0.01 0.00 0.00 57.00 57.54 2isa n GLN 251 Cb 0.64 -5.69 -0.02 0.00 0.00 0.00 0.00 30.24 25.17 2isa n GLN 251 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.06 173.59 2isa n ASP 252 N -2.69 5.25 -4.69 1.08 4.64 0.69 -5.02 116.55 115.81 2isa n ASP 252 Ca -0.04 -3.24 -0.42 0.00 -1.38 0.00 0.00 54.79 49.70 2isa n ASP 252 Cb 0.58 -1.16 -0.03 0.00 -1.04 0.00 0.00 41.12 39.47 2isa n ASP 252 CO 0.00 0.00 0.00 -0.36 -0.82 0.00 0.00 177.20 176.02 2isa s PHE 253 N -1.98 3.17 0.36 -0.67 2.99 -1.26 -4.46 117.98 116.13 2isa s PHE 253 Ca 0.31 1.18 -0.25 0.00 0.00 0.00 0.00 56.93 58.16 2isa s PHE 253 Cb -0.01 -3.45 -0.09 0.00 0.00 0.00 0.00 43.02 39.47 2isa s PHE 253 CO -0.02 -1.44 1.04 -1.25 -0.00 0.00 0.00 175.22 173.55 2isa s PRO 254 N 2.13 4.33 0.11 0.24 0.04 -1.25 -4.85 135.00 135.75 2isa s PRO 254 Ca 0.57 1.54 0.08 0.00 0.04 0.00 0.00 61.00 63.23 2isa s PRO 254 Cb -0.26 -2.71 -0.04 0.00 0.04 0.00 0.00 34.50 31.53 2isa s PRO 254 CO 0.23 0.00 -0.20 0.15 0.04 0.00 0.00 177.00 177.22 2isa s LYS 255 N -2.21 1.12 0.06 4.56 1.02 -1.26 -1.77 119.74 121.26 2isa s LYS 255 Ca 0.54 -1.18 0.05 0.00 0.02 0.00 0.00 55.97 55.40 2isa s LYS 255 Cb -0.23 -1.36 -0.03 0.00 -0.52 0.00 0.00 37.83 35.69 2isa s LYS 255 CO 0.30 0.31 -0.14 -1.58 -0.92 0.00 0.00 175.35 173.32 2isa s TRP 256 N -1.27 1.17 -0.23 3.18 0.51 -0.54 -1.17 118.94 120.60 2isa s TRP 256 Ca 0.07 -0.42 -0.09 0.00 -2.12 0.00 0.00 56.10 53.54 2isa s TRP 256 Cb -0.10 -0.67 -0.04 0.00 -0.81 0.00 0.00 33.47 31.85 2isa s TRP 256 CO 0.04 0.04 0.11 0.99 -0.51 0.00 0.00 176.95 177.62 2isa s THR 257 N -1.13 4.90 -0.15 2.01 2.01 0.22 -1.60 115.64 121.91 2isa s THR 257 Ca -0.01 0.02 -0.28 0.00 0.31 0.00 0.00 61.69 61.73 2isa s THR 257 Cb -0.09 -3.27 -0.01 0.00 0.01 0.00 0.00 72.50 69.14 2isa s THR 257 CO 0.02 0.37 0.95 -0.22 -0.69 0.00 0.00 174.62 175.05 2isa s LEU 258 N 1.08 4.19 0.13 4.42 2.96 0.10 -0.55 118.68 131.02 2isa s LEU 258 Ca 0.06 1.37 0.08 0.00 -0.22 0.00 0.00 54.13 55.42 2isa s LEU 258 Cb -0.14 -3.44 -0.04 0.00 0.50 0.00 0.00 46.19 43.08 2isa s LEU 258 CO 0.04 -0.48 -0.18 -0.54 -1.32 0.00 0.00 176.35 173.87 2isa s LYS 259 N 2.31 1.15 0.10 1.98 1.02 0.68 -0.94 119.74 126.04 2isa s LYS 259 Ca 0.44 -1.26 0.07 0.00 0.02 0.00 0.00 55.97 55.24 2isa s LYS 259 Cb -0.17 -1.23 -0.03 0.00 -0.52 0.00 0.00 37.83 35.87 2isa s LYS 259 CO 0.13 0.26 -0.19 0.14 -0.92 0.00 0.00 175.35 174.78 2isa s VAL 260 N -1.72 1.56 -0.16 3.17 -7.23 0.10 -0.45 120.40 115.67 2isa s VAL 260 Ca 0.10 -1.54 -0.08 0.00 -1.81 0.00 0.00 61.98 58.65 2isa s VAL 260 Cb -0.07 -1.47 -0.05 0.00 0.56 0.00 0.00 36.38 35.35 2isa s VAL 260 CO 0.05 -0.15 0.13 -1.10 -0.31 0.00 0.00 175.10 173.72 2isa s GLN 261 N -2.01 3.84 -0.16 4.82 -0.21 -0.85 0.38 119.66 125.46 2isa s GLN 261 Ca 0.06 -0.19 0.00 0.00 0.02 0.00 0.00 55.36 55.25 2isa s GLN 261 Cb -0.09 -3.30 0.03 0.00 1.00 0.00 0.00 33.01 30.64 2isa s GLN 261 CO 0.04 0.52 -0.12 0.42 -2.12 0.00 0.00 175.29 174.03 2isa s ILE 262 N -0.27 1.50 -0.22 1.08 1.01 -1.26 -1.64 121.20 121.41 2isa s ILE 262 Ca 0.11 -0.70 -0.03 0.00 0.00 0.00 0.00 60.65 60.03 2isa s ILE 262 Cb -0.11 -1.48 -0.00 0.00 0.01 0.00 0.00 42.46 40.87 2isa s ILE 262 CO 0.01 0.35 -0.06 -0.32 0.00 0.00 0.00 174.94 174.91 2isa s MET 263 N 1.50 3.29 0.45 2.79 -2.45 0.89 -4.98 119.30 120.79 2isa s MET 263 Ca 0.03 -0.67 -0.25 0.00 -1.25 0.00 0.00 55.69 53.55 2isa s MET 263 Cb -0.14 -2.96 -0.09 0.00 1.25 0.00 0.00 34.83 32.90 2isa s MET 263 CO -0.10 -0.21 1.32 -2.30 1.05 0.00 0.00 175.02 174.78 2isa n PRO 264 N 4.77 1.97 -0.31 4.11 -0.02 -1.26 -0.32 135.00 143.94 2isa n PRO 264 Ca -0.18 0.70 0.15 0.00 -2.02 0.00 0.00 63.50 62.15 2isa n PRO 264 Cb 0.50 -2.47 0.31 0.00 -0.02 0.00 0.00 33.50 31.83 2isa n PRO 264 CO 0.00 0.00 0.00 1.49 1.98 0.00 0.00 175.50 178.97 2isa h GLU 265 N 2.03 0.15 0.00 -0.52 4.81 -1.91 -0.98 114.58 118.16 2isa h GLU 265 Ca -0.49 -0.01 -0.03 0.00 -0.13 0.00 0.00 59.36 58.70 2isa h GLU 265 Cb 1.29 -0.03 -0.00 0.00 0.63 0.00 0.00 28.75 30.63 2isa h GLU 265 CO 0.60 0.10 -0.16 0.00 -0.73 0.00 0.00 179.01 178.81 2isa h ALA 266 N 1.83 1.40 0.00 2.92 0.00 -1.90 -2.98 119.26 120.55 2isa h ALA 266 Ca 0.58 -0.15 -0.04 0.00 0.00 0.00 0.00 54.91 55.31 2isa h ALA 266 Cb 1.21 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.97 2isa h ALA 266 CO -0.71 0.20 -0.17 -0.44 0.00 0.00 0.00 179.25 178.13 2isa h ASP 267 N 0.00 0.00 -0.63 0.00 5.19 -1.52 -2.90 116.42 116.56 2isa h ASP 267 Ca -0.00 0.00 0.08 0.00 -0.62 0.00 0.00 57.03 56.49 2isa h ASP 267 Cb 0.37 0.00 -0.04 0.00 0.18 0.00 0.00 39.33 39.84 2isa h ASP 267 CO 0.02 0.17 0.42 0.00 -3.12 0.00 0.00 179.24 176.73 2isa h ALA 268 N 1.83 1.88 0.00 3.45 0.00 -1.67 -0.17 119.26 124.58 2isa h ALA 268 Ca -0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.89 2isa h ALA 268 Cb 0.34 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.00 2isa h ALA 268 CO 0.02 -0.00 0.00 0.00 0.00 0.00 0.00 179.25 179.27 2isa n ALA 269 N -2.49 2.04 0.00 0.00 0.00 -1.09 -4.13 120.51 114.84 2isa n ALA 269 Ca 0.10 -0.09 0.00 0.00 0.00 0.00 0.00 53.44 53.45 2isa n ALA 269 Cb 0.30 -1.35 0.00 0.00 0.00 0.00 0.00 19.45 18.40 2isa n ALA 269 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 2isa n THR 270 N -1.41 0.00 -2.06 0.00 -2.24 -0.15 -5.06 114.28 103.36 2isa n THR 270 Ca 0.07 -0.07 -0.38 0.00 -2.27 0.00 0.00 64.05 61.40 2isa n THR 270 Cb 0.22 0.49 0.01 0.00 -2.10 0.00 0.00 70.33 68.94 2isa n THR 270 CO 0.00 0.00 0.00 0.68 -0.57 0.00 0.00 175.07 175.18 2isa s VAL 271 N -1.32 2.66 -1.74 2.28 -7.23 -0.75 -4.92 120.40 109.39 2isa s VAL 271 Ca 0.00 0.52 0.25 0.00 -1.81 0.00 0.00 61.98 60.94 2isa s VAL 271 Cb 0.00 -3.27 0.59 0.00 0.56 0.00 0.00 36.38 34.26 2isa s VAL 271 CO 0.00 0.01 1.86 -0.81 -0.31 0.00 0.00 175.10 175.85 2isa n PRO 272 N -0.54 0.59 -4.42 4.82 -0.04 -1.26 -4.72 135.00 129.43 2isa n PRO 272 Ca 0.08 0.03 -0.29 0.00 -0.04 0.00 0.00 63.50 63.27 2isa n PRO 272 Cb 0.46 -1.50 -0.13 0.00 -0.04 0.00 0.00 33.50 32.29 2isa n PRO 272 CO 0.00 0.00 0.00 1.52 -0.04 0.00 0.00 175.50 176.98 2isa s TYR 273 N -2.26 2.37 -0.13 0.54 -0.85 -1.26 -5.09 117.35 110.67 2isa s TYR 273 Ca 0.31 -0.35 -0.29 0.00 -0.52 0.00 0.00 57.07 56.22 2isa s TYR 273 Cb 0.17 -1.29 -0.05 0.00 0.38 0.00 0.00 41.96 41.17 2isa s TYR 273 CO 0.33 0.33 1.89 1.21 -1.52 0.00 0.00 175.55 177.79 2isa s ASN 274 N -1.99 6.17 0.00 -0.18 2.47 -1.26 -4.86 114.94 115.29 2isa s ASN 274 Ca 0.15 2.06 0.25 0.00 0.42 0.00 0.00 52.86 55.74 2isa s ASN 274 Cb -0.10 -2.53 1.27 0.00 -1.45 0.00 0.00 41.25 38.44 2isa s ASN 274 CO 0.07 -1.36 1.84 -0.81 -3.72 0.00 0.00 177.10 173.12 2isa n PRO 275 N 7.88 0.36 -0.13 0.43 -0.04 -1.26 -2.81 135.00 139.42 2isa n PRO 275 Ca 0.22 0.05 0.05 0.00 -0.04 0.00 0.00 63.50 63.78 2isa n PRO 275 Cb 0.44 -1.50 0.12 0.00 -0.04 0.00 0.00 33.50 32.52 2isa n PRO 275 CO 0.00 0.00 0.00 1.19 -0.04 0.00 0.00 175.50 176.65 2isa n PHE 276 N -1.29 0.34 -2.86 0.54 3.72 -1.26 -4.68 117.46 111.97 2isa n PHE 276 Ca 0.12 -0.42 -0.42 0.00 -0.05 0.00 0.00 57.45 56.68 2isa n PHE 276 Cb 0.20 -0.02 -0.04 0.00 -0.94 0.00 0.00 39.48 38.67 2isa n PHE 276 CO 0.00 0.00 0.00 0.34 -0.05 0.00 0.00 176.76 177.05 2isa s ASP 277 N -0.97 6.64 0.40 4.37 -1.08 -1.13 -4.35 116.67 120.55 2isa s ASP 277 Ca 0.19 0.51 0.28 0.00 -0.52 0.00 0.00 52.55 53.01 2isa s ASP 277 Cb 0.10 -2.44 1.10 0.00 -1.46 0.00 0.00 42.92 40.23 2isa s ASP 277 CO 0.14 -0.80 1.83 0.25 0.52 0.00 0.00 175.17 177.11 2isa h LEU 278 N 9.92 0.00 -0.09 -1.34 5.85 -1.90 -1.74 115.31 126.02 2isa h LEU 278 Ca -0.24 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.48 2isa h LEU 278 Cb 1.08 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.11 2isa h LEU 278 CO 0.95 0.00 0.00 0.35 -0.34 0.00 0.00 178.44 179.40 2isa n THR 279 N -2.67 0.02 -4.15 1.05 -2.24 -1.26 -2.01 114.28 103.02 2isa n THR 279 Ca 0.02 -0.03 -0.17 0.00 -2.27 0.00 0.00 64.05 61.60 2isa n THR 279 Cb 0.30 -0.17 -0.12 0.00 -2.10 0.00 0.00 70.33 68.24 2isa n THR 279 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 2isa s LYS 280 N -1.98 0.76 0.34 -0.78 1.02 -0.65 -4.82 119.74 113.63 2isa s LYS 280 Ca 0.21 -0.94 0.06 0.00 0.02 0.00 0.00 55.97 55.32 2isa s LYS 280 Cb 0.10 -0.67 -0.01 0.00 -0.52 0.00 0.00 37.83 36.73 2isa s LYS 280 CO 0.16 0.14 0.48 0.14 -0.92 0.00 0.00 175.35 175.36 2isa s VAL 281 N -1.46 4.06 -0.22 3.17 -7.23 -1.26 -4.86 120.40 112.58 2isa s VAL 281 Ca -0.03 -0.97 -0.16 0.00 -1.81 0.00 0.00 61.98 59.01 2isa s VAL 281 Cb -0.09 -3.41 -0.04 0.00 0.56 0.00 0.00 36.38 33.41 2isa s VAL 281 CO 0.02 -0.16 0.43 0.26 -0.31 0.00 0.00 175.10 175.33 2isa s TRP 282 N -2.20 3.33 0.19 2.82 0.51 -1.26 -5.05 118.94 117.28 2isa s TRP 282 Ca 0.45 0.61 -0.33 0.00 -2.12 0.00 0.00 56.10 54.71 2isa s TRP 282 Cb -0.10 -2.59 -0.14 0.00 -0.81 0.00 0.00 33.47 29.84 2isa s TRP 282 CO 0.32 -0.11 1.51 -2.30 -0.51 0.00 0.00 176.95 175.86 2isa n PRO 283 N 4.86 2.09 0.01 4.98 -0.02 -1.26 -4.83 135.00 140.83 2isa n PRO 283 Ca -0.07 0.75 0.06 0.00 -2.02 0.00 0.00 63.50 62.22 2isa n PRO 283 Cb 0.51 -2.48 0.47 0.00 -0.02 0.00 0.00 33.50 31.98 2isa n PRO 283 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 2isa h HIS 284 N 5.26 0.43 -0.06 6.00 3.86 -1.97 -0.20 115.15 128.47 2isa h HIS 284 Ca -0.45 0.01 0.01 0.00 -1.16 0.00 0.00 60.37 58.79 2isa h HIS 284 Cb 1.26 -0.14 -0.00 0.00 1.06 0.00 0.00 27.41 29.59 2isa h HIS 284 CO 0.60 0.26 0.04 0.87 0.86 0.00 0.00 177.93 180.56 2isa h LYS 285 N 0.45 0.01 0.15 2.45 1.57 -1.99 -1.85 116.57 117.36 2isa h LYS 285 Ca 0.16 -0.00 -0.30 0.00 -1.87 0.00 0.00 60.65 58.64 2isa h LYS 285 Cb 0.08 -0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.39 2isa h LYS 285 CO -0.04 0.01 -1.51 -0.44 -0.57 0.00 0.00 179.45 176.90 2isa h ASP 286 N 0.01 0.49 -2.89 0.86 3.32 -1.45 -3.43 116.42 113.33 2isa h ASP 286 Ca 0.03 -0.89 -0.59 0.00 0.02 0.00 0.00 57.03 55.59 2isa h ASP 286 Cb 0.10 -0.16 -0.39 0.00 0.22 0.00 0.00 39.33 39.09 2isa h ASP 286 CO -0.00 1.67 -0.82 -0.31 -1.72 0.00 0.00 179.24 178.06 2isa s TYR 287 N -2.51 1.27 0.61 4.55 2.02 -0.47 -5.07 117.35 117.75 2isa s TYR 287 Ca -0.18 -2.03 -0.18 0.00 -0.37 0.00 0.00 57.07 54.31 2isa s TYR 287 Cb 0.04 -1.30 -0.04 0.00 -0.40 0.00 0.00 41.96 40.27 2isa s TYR 287 CO 0.81 -0.81 1.07 -2.30 -1.57 0.00 0.00 175.55 172.75 2isa n PRO 288 N 3.68 0.98 -2.08 -1.71 -0.02 -0.72 -4.37 135.00 130.76 2isa n PRO 288 Ca 0.13 0.38 -0.42 0.00 -2.02 0.00 0.00 63.50 61.57 2isa n PRO 288 Cb 0.37 -2.28 -0.03 0.00 -0.02 0.00 0.00 33.50 31.54 2isa n PRO 288 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 2isa s LEU 289 N -2.73 4.37 -0.25 2.45 1.02 -1.26 -4.50 118.68 117.77 2isa s LEU 289 Ca 0.78 2.42 -0.03 0.00 0.02 0.00 0.00 54.13 57.32 2isa s LEU 289 Cb -0.41 -3.59 0.02 0.00 0.02 0.00 0.00 46.19 42.24 2isa s LEU 289 CO 0.45 -0.73 -0.03 -0.63 0.02 0.00 0.00 176.35 175.43 2isa s ILE 290 N 1.29 3.17 0.40 -0.59 1.01 0.16 -4.90 121.20 121.74 2isa s ILE 290 Ca 0.67 -0.87 -0.25 0.00 0.00 0.00 0.00 60.65 60.20 2isa s ILE 290 Cb -0.39 -2.58 -0.09 0.00 0.01 0.00 0.00 42.46 39.41 2isa s ILE 290 CO 0.30 0.22 1.13 -0.70 0.00 0.00 0.00 174.94 175.89 2isa s GLU 291 N 1.39 4.10 0.00 2.79 2.12 -1.26 0.01 118.70 127.84 2isa s GLU 291 Ca 0.02 1.73 0.00 0.00 0.36 0.00 0.00 54.97 57.07 2isa s GLU 291 Cb -0.16 -2.64 0.00 0.00 0.26 0.00 0.00 34.13 31.58 2isa s GLU 291 CO -0.03 -0.25 0.00 0.28 -0.54 0.00 0.00 175.26 174.72 2isa n VAL 292 N 0.05 0.00 -3.09 3.70 0.31 -0.12 -4.64 118.33 114.54 2isa n VAL 292 Ca 0.04 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.37 2isa n VAL 292 Cb 0.47 -0.94 0.00 0.00 -0.91 0.00 0.00 33.84 32.46 2isa n VAL 292 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2isa n GLY 293 N 2.72 -0.87 3.19 2.92 0.00 -1.15 -1.20 105.19 110.80 2isa n GLY 293 Ca 0.00 -0.73 -0.11 0.00 0.00 0.00 0.00 46.02 45.18 2isa n GLY 293 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 2isa s GLU 294 N -0.19 0.68 0.15 1.61 -1.05 -0.71 0.03 118.70 119.23 2isa s GLU 294 Ca 0.00 -0.53 0.10 0.00 -0.15 0.00 0.00 54.97 54.39 2isa s GLU 294 Cb 0.00 0.29 -0.04 0.00 -0.44 0.00 0.00 34.13 33.94 2isa s GLU 294 CO 0.00 -0.20 -0.22 -0.59 0.95 0.00 0.00 175.26 175.20 2isa s PHE 295 N -2.26 2.06 0.06 4.83 -0.12 -0.62 -0.56 117.98 121.36 2isa s PHE 295 Ca -0.07 -0.40 0.07 0.00 -0.05 0.00 0.00 56.93 56.48 2isa s PHE 295 Cb -0.02 -1.07 -0.03 0.00 -0.63 0.00 0.00 43.02 41.27 2isa s PHE 295 CO -0.02 0.35 -0.20 -1.83 -0.05 0.00 0.00 175.22 173.47 2isa s GLU 296 N -2.39 1.26 -0.27 1.99 -1.05 -0.58 -1.47 118.70 116.19 2isa s GLU 296 Ca 0.15 -1.00 -0.10 0.00 -0.15 0.00 0.00 54.97 53.86 2isa s GLU 296 Cb -0.08 -1.41 -0.04 0.00 -0.44 0.00 0.00 34.13 32.15 2isa s GLU 296 CO 0.07 0.35 0.16 -0.51 0.95 0.00 0.00 175.26 176.28 2isa s LEU 297 N -1.42 3.88 0.00 1.83 1.43 -0.73 -1.50 118.68 122.17 2isa s LEU 297 Ca 0.07 -0.07 0.00 0.00 -1.03 0.00 0.00 54.13 53.10 2isa s LEU 297 Cb -0.09 -2.07 0.00 0.00 0.03 0.00 0.00 46.19 44.06 2isa s LEU 297 CO 0.03 -0.05 0.59 -0.46 0.23 0.00 0.00 176.35 176.69 2isa n ASN 298 N 5.03 0.48 -3.69 2.29 0.23 -0.18 -3.91 115.26 115.50 2isa n ASN 298 Ca -0.15 -1.23 -0.11 0.00 -0.53 0.00 0.00 54.58 52.56 2isa n ASN 298 Cb 0.52 0.00 -0.12 0.00 -2.08 0.00 0.00 39.78 38.10 2isa n ASN 298 CO 0.00 0.00 0.00 -0.60 -0.93 0.00 0.00 177.26 175.73 2isa s ARG 299 N -0.23 0.29 0.27 -3.83 3.52 -0.90 -5.01 118.95 113.06 2isa s ARG 299 Ca 0.00 0.76 -0.23 0.00 -0.13 0.00 0.00 55.73 56.13 2isa s ARG 299 Cb 0.00 0.02 -0.09 0.00 -1.56 0.00 0.00 34.95 33.32 2isa s ARG 299 CO 0.00 -0.20 0.83 -0.80 -0.81 0.00 0.00 175.30 174.32 2isa s ASN 300 N 1.78 7.20 0.57 -2.12 0.02 -1.26 -0.11 114.94 121.02 2isa s ASN 300 Ca -0.06 1.62 -0.20 0.00 -1.02 0.00 0.00 52.86 53.20 2isa s ASN 300 Cb -0.10 -2.50 -0.04 0.00 0.02 0.00 0.00 41.25 38.63 2isa s ASN 300 CO -0.11 -0.01 1.27 -2.84 0.02 0.00 0.00 177.10 175.43 2isa s PRO 301 N -1.99 3.07 0.08 -0.60 0.02 -1.26 -4.88 135.00 129.44 2isa s PRO 301 Ca 0.46 1.99 -0.17 0.00 0.02 0.00 0.00 61.00 63.31 2isa s PRO 301 Cb -0.18 -2.09 -0.10 0.00 0.02 0.00 0.00 34.50 32.15 2isa s PRO 301 CO 0.22 -1.17 1.41 1.96 -0.33 0.00 0.00 177.00 179.09 2isa h GLN 302 N 1.19 0.59 -4.13 5.54 4.20 -2.01 -3.43 115.11 117.06 2isa h GLN 302 Ca -0.51 -0.30 -0.55 0.00 0.06 0.00 0.00 58.65 57.36 2isa h GLN 302 Cb 1.30 0.00 -0.38 0.00 0.30 0.00 0.00 27.48 28.70 2isa h GLN 302 CO 0.56 0.89 -0.79 1.21 -0.67 0.00 0.00 178.83 180.03 2isa s ASN 303 N -6.38 2.80 0.19 1.46 3.84 -1.26 -5.05 114.94 110.55 2isa s ASN 303 Ca -0.13 -0.65 -0.10 0.00 0.21 0.00 0.00 52.86 52.18 2isa s ASN 303 Cb 0.08 -0.89 0.10 0.00 -0.55 0.00 0.00 41.25 39.99 2isa s ASN 303 CO 0.80 -0.19 1.74 0.22 -2.79 0.00 0.00 177.10 176.89 2isa h TYR 304 N 8.13 1.02 -0.12 0.43 5.03 -1.98 -2.16 116.97 127.32 2isa h TYR 304 Ca -0.24 -0.08 0.00 0.00 2.58 0.00 0.00 58.73 60.99 2isa h TYR 304 Cb 1.11 -0.30 -0.01 0.00 1.55 0.00 0.00 36.73 39.08 2isa h TYR 304 CO 0.44 0.80 0.08 0.35 -1.32 0.00 0.00 178.16 178.51 2isa h PHE 305 N 0.95 0.16 -0.02 -3.82 3.57 -1.96 0.12 116.94 115.93 2isa h PHE 305 Ca 0.22 0.00 -0.15 0.00 3.53 0.00 0.00 57.97 61.57 2isa h PHE 305 Cb 0.21 -0.05 -0.02 0.00 2.79 0.00 0.00 35.95 38.88 2isa h PHE 305 CO 0.01 0.12 -0.69 0.00 -2.23 0.00 0.00 178.31 175.53 2isa h ALA 306 N 1.02 0.82 0.00 2.41 0.00 -1.94 -1.74 119.26 119.84 2isa h ALA 306 Ca 0.04 -0.61 -0.24 0.00 0.00 0.00 0.00 54.91 54.10 2isa h ALA 306 Cb 0.01 -0.10 -0.04 0.00 0.00 0.00 0.00 17.79 17.65 2isa h ALA 306 CO -0.01 0.82 -1.90 0.39 0.00 0.00 0.00 179.25 178.55 2isa n GLU 307 N -3.76 1.34 -0.11 0.00 1.02 -0.82 -4.39 120.64 113.91 2isa n GLU 307 Ca -0.02 0.03 -0.21 0.00 -0.02 0.00 0.00 57.16 56.95 2isa n GLU 307 Cb 0.67 -1.33 -0.07 0.00 -0.02 0.00 0.00 31.44 30.69 2isa n GLU 307 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59 2isa n VAL 308 N -2.67 1.39 -0.26 2.62 0.31 0.26 -3.87 118.33 116.11 2isa n VAL 308 Ca -0.24 -0.18 -0.01 0.00 -0.01 0.00 0.00 64.34 63.89 2isa n VAL 308 Cb 0.88 -1.97 0.17 0.00 -0.91 0.00 0.00 33.84 32.01 2isa n VAL 308 CO 0.00 0.00 0.00 -0.08 -1.32 0.00 0.00 176.83 175.43 2isa h GLU 309 N -0.88 1.10 -0.01 5.55 4.57 -1.05 -2.51 114.58 121.35 2isa h GLU 309 Ca -0.43 -0.10 0.00 0.00 -1.18 0.00 0.00 59.36 57.65 2isa h GLU 309 Cb 1.34 -0.23 0.00 0.00 -0.16 0.00 0.00 28.75 29.70 2isa h GLU 309 CO -0.26 0.78 -0.06 1.04 -1.18 0.00 0.00 179.01 179.32 2isa n GLN 310 N -4.37 1.06 -1.96 1.92 6.02 -0.66 -4.88 117.38 114.50 2isa n GLN 310 Ca 0.09 -0.42 -0.41 0.00 -0.01 0.00 0.00 57.00 56.25 2isa n GLN 310 Cb 0.07 -1.49 -0.02 0.00 1.02 0.00 0.00 30.24 29.82 2isa n GLN 310 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 2isa s ALA 311 N -2.22 3.60 -0.15 -1.58 0.00 -0.95 -4.90 121.76 115.55 2isa s ALA 311 Ca 0.36 1.40 -0.00 0.00 0.00 0.00 0.00 51.96 53.71 2isa s ALA 311 Cb 0.21 -3.56 0.04 0.00 0.00 0.00 0.00 23.12 19.80 2isa s ALA 311 CO 0.41 -0.82 -0.06 0.00 0.00 0.00 0.00 175.76 175.29 2isa s ALA 312 N -0.51 1.49 -0.23 0.00 0.00 -1.26 -5.04 121.76 116.21 2isa s ALA 312 Ca 0.56 -0.78 -0.07 0.00 0.00 0.00 0.00 51.96 51.66 2isa s ALA 312 Cb -0.43 -1.08 -0.03 0.00 0.00 0.00 0.00 23.12 21.58 2isa s ALA 312 CO 0.50 -0.67 0.07 -0.06 0.00 0.00 0.00 175.76 175.60 2isa s PHE 313 N 1.63 3.12 -0.23 0.00 0.40 -1.26 -4.96 117.98 116.69 2isa s PHE 313 Ca 0.02 -0.26 0.01 0.00 -0.60 0.00 0.00 56.93 56.10 2isa s PHE 313 Cb -0.15 -2.19 0.04 0.00 0.51 0.00 0.00 43.02 41.24 2isa s PHE 313 CO -0.08 -0.20 -0.13 1.21 0.70 0.00 0.00 175.22 176.72 2isa s ASN 314 N 1.23 3.97 0.65 1.36 3.04 -1.26 -4.92 114.94 119.02 2isa s ASN 314 Ca 0.05 -1.01 0.31 0.00 0.04 0.00 0.00 52.86 52.25 2isa s ASN 314 Cb -0.14 -1.56 1.67 0.00 -1.54 0.00 0.00 41.25 39.68 2isa s ASN 314 CO 0.03 -0.11 1.96 -0.65 -3.04 0.00 0.00 177.10 175.30 2isa h PRO 315 N 7.89 0.00 0.00 0.43 0.11 -1.86 0.17 132.00 138.75 2isa h PRO 315 Ca -0.32 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.79 2isa h PRO 315 Cb 1.09 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.20 2isa h PRO 315 CO 0.55 0.00 0.00 0.00 -0.21 0.00 0.00 178.00 178.34 2isa h ALA 316 N 1.43 1.00 -1.05 -0.75 0.00 -1.87 -3.40 119.26 114.63 2isa h ALA 316 Ca 0.03 0.00 -0.64 0.00 0.00 0.00 0.00 54.91 54.30 2isa h ALA 316 Cb 0.67 0.00 -0.10 0.00 0.00 0.00 0.00 17.79 18.36 2isa h ALA 316 CO -0.00 0.00 1.78 -0.80 0.00 0.00 0.00 179.25 180.23 2isa s ASN 317 N -4.67 6.67 0.46 0.00 0.02 0.59 -4.94 114.94 113.07 2isa s ASN 317 Ca 0.05 -1.95 0.07 0.00 -1.02 0.00 0.00 52.86 50.01 2isa s ASN 317 Cb 0.10 -2.56 -0.01 0.00 0.02 0.00 0.00 41.25 38.79 2isa s ASN 317 CO 0.48 -1.32 0.32 0.54 0.02 0.00 0.00 177.10 177.14 2isa s VAL 318 N 4.48 2.18 0.10 1.60 0.11 -1.26 -1.04 120.40 126.56 2isa s VAL 318 Ca 0.49 -1.51 0.04 0.00 -2.93 0.00 0.00 61.98 58.08 2isa s VAL 318 Cb 0.02 -2.69 -0.04 0.00 -1.53 0.00 0.00 36.38 32.14 2isa s VAL 318 CO -0.02 0.00 -0.11 0.68 -3.33 0.00 0.00 175.10 172.32 2isa s VAL 319 N -2.62 1.05 0.16 2.04 -7.23 -1.26 -4.80 120.40 107.75 2isa s VAL 319 Ca 0.41 -1.62 -0.33 0.00 -1.81 0.00 0.00 61.98 58.63 2isa s VAL 319 Cb -0.01 -1.36 -0.16 0.00 0.56 0.00 0.00 36.38 35.41 2isa s VAL 319 CO 0.24 -0.49 1.07 -2.65 -0.31 0.00 0.00 175.10 172.96 2isa n PRO 320 N 0.63 0.92 0.00 4.82 -0.02 -1.26 -0.86 135.00 139.23 2isa n PRO 320 Ca -0.16 0.33 0.00 0.00 -2.02 0.00 0.00 63.50 61.64 2isa n PRO 320 Cb 0.57 -1.76 0.00 0.00 -0.02 0.00 0.00 33.50 32.29 2isa n PRO 320 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2isa n GLY 321 N 1.91 0.53 2.93 -1.23 0.00 -1.26 -3.63 105.19 104.44 2isa n GLY 321 Ca 0.16 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.98 2isa n GLY 321 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2isa s ILE 322 N -2.18 0.57 0.00 -0.61 1.01 -0.04 -1.56 121.20 118.39 2isa s ILE 322 Ca 0.00 -0.19 0.00 0.00 0.00 0.00 0.00 60.65 60.46 2isa s ILE 322 Cb 0.00 -0.56 0.00 0.00 0.01 0.00 0.00 42.46 41.91 2isa s ILE 322 CO 0.00 0.21 0.00 -0.24 0.00 0.00 0.00 174.94 174.91 2isa n SER 323 N 3.70 0.00 -0.31 3.58 2.88 -0.06 -4.01 113.62 119.40 2isa n SER 323 Ca -0.22 -0.29 0.00 0.00 -1.33 0.00 0.00 58.87 57.03 2isa n SER 323 Cb 0.53 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.99 2isa n SER 323 CO 0.00 0.00 0.00 0.49 -1.23 0.00 0.00 175.04 174.30 2isa n PHE 324 N 0.00 -0.24 -3.76 0.66 3.72 -1.26 -1.34 117.46 115.24 2isa n PHE 324 Ca 0.00 0.00 -0.10 0.00 -0.05 0.00 0.00 57.45 57.30 2isa n PHE 324 Cb 0.00 0.00 -0.05 0.00 -0.94 0.00 0.00 39.48 38.49 2isa n PHE 324 CO 0.00 0.00 0.00 -1.54 -0.05 0.00 0.00 176.76 175.17 2isa s SER 325 N -1.00 -0.19 0.00 4.37 1.04 -1.26 -2.70 113.70 113.95 2isa s SER 325 Ca 0.00 -0.52 0.00 0.00 0.48 0.00 0.00 55.95 55.91 2isa s SER 325 Cb 0.00 0.53 0.00 0.00 0.10 0.00 0.00 66.02 66.65 2isa s SER 325 CO 0.00 -0.98 0.52 -0.81 0.98 0.00 0.00 173.24 172.95 2isa n PRO 326 N -0.29 0.75 -1.61 4.02 -0.04 -1.26 -4.59 135.00 131.97 2isa n PRO 326 Ca -0.11 0.00 -0.44 0.00 -0.04 0.00 0.00 63.50 62.91 2isa n PRO 326 Cb 0.63 -1.24 -0.03 0.00 -0.04 0.00 0.00 33.50 32.82 2isa n PRO 326 CO 0.00 0.00 0.00 -3.47 -0.04 0.00 0.00 175.50 171.99 2isa n ASP 327 N -0.11 3.47 -0.19 3.54 -0.08 -1.26 -4.85 116.55 117.07 2isa n ASP 327 Ca 0.00 0.49 0.07 0.00 -1.51 0.00 0.00 54.79 53.84 2isa n ASP 327 Cb 0.12 -1.51 0.35 0.00 2.34 0.00 0.00 41.12 42.42 2isa n ASP 327 CO 0.00 0.00 0.00 0.11 0.12 0.00 0.00 177.20 177.43 2isa h LYS 328 N 13.03 0.74 -0.40 -0.67 1.57 -1.81 -0.22 116.57 128.81 2isa h LYS 328 Ca -0.43 -0.04 -0.02 0.00 -1.87 0.00 0.00 60.65 58.28 2isa h LYS 328 Cb 1.25 -0.17 -0.02 0.00 0.08 0.00 0.00 32.23 33.37 2isa h LYS 328 CO 0.96 0.49 0.18 0.52 -0.57 0.00 0.00 179.45 181.03 2isa h MET 329 N 0.76 0.58 -0.58 3.15 2.86 -1.89 -1.04 114.93 118.77 2isa h MET 329 Ca 0.32 -0.09 -0.00 0.00 -2.06 0.00 0.00 59.70 57.87 2isa h MET 329 Cb 0.27 -0.10 -0.03 0.00 0.06 0.00 0.00 31.60 31.80 2isa h MET 329 CO -0.11 0.52 0.36 1.25 1.06 0.00 0.00 176.91 179.99 2isa h LEU 330 N 0.50 0.69 -0.55 1.22 5.85 -1.54 -2.56 115.31 118.93 2isa h LEU 330 Ca 0.14 -0.05 0.09 0.00 0.84 0.00 0.00 57.88 58.89 2isa h LEU 330 Cb 0.14 -0.17 -0.07 0.00 0.37 0.00 0.00 40.66 40.93 2isa h LEU 330 CO -0.02 0.54 0.17 1.56 -0.34 0.00 0.00 178.44 180.36 2isa h GLN 331 N 0.78 0.32 -0.82 1.25 1.08 -0.74 -1.49 115.11 115.49 2isa h GLN 331 Ca 0.21 -0.02 0.02 0.00 -1.45 0.00 0.00 58.65 57.41 2isa h GLN 331 Cb -0.03 -0.07 -0.04 0.00 -0.05 0.00 0.00 27.48 27.29 2isa h GLN 331 CO -0.04 0.21 0.55 0.78 -0.95 0.00 0.00 178.83 179.38 2isa h GLY 332 N 0.33 1.16 2.00 3.46 0.00 -1.02 -2.60 103.07 106.40 2isa h GLY 332 Ca 0.27 -0.42 -0.04 0.00 0.00 0.00 0.00 47.33 47.14 2isa h GLY 332 CO -0.30 0.39 -0.21 3.21 0.00 0.00 0.00 176.54 179.63 2isa h ARG 333 N 1.08 0.00 0.00 4.80 3.08 -0.87 -2.65 114.38 119.82 2isa h ARG 333 Ca 0.31 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 60.36 2isa h ARG 333 Cb -0.06 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 29.99 2isa h ARG 333 CO -0.08 0.21 -0.03 -0.07 -1.07 0.00 0.00 179.97 178.93 2isa h LEU 334 N 0.00 0.00 0.00 3.04 3.38 -1.04 -2.96 115.31 117.72 2isa h LEU 334 Ca -0.00 0.00 -0.15 0.00 0.09 0.00 0.00 57.88 57.81 2isa h LEU 334 Cb 0.57 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.30 2isa h LEU 334 CO 0.03 0.03 -1.01 0.15 0.09 0.00 0.00 178.44 177.73 2isa h PHE 335 N 0.00 0.00 -0.44 1.13 3.57 -1.59 -3.45 116.94 116.16 2isa h PHE 335 Ca -0.00 0.00 -0.00 0.00 3.53 0.00 0.00 57.97 61.50 2isa h PHE 335 Cb 0.16 0.00 -0.02 0.00 2.79 0.00 0.00 35.95 38.88 2isa h PHE 335 CO 0.00 0.99 0.27 0.00 -2.23 0.00 0.00 178.31 177.33 2isa h ALA 336 N -0.67 1.64 0.01 2.41 0.00 -1.34 -3.01 119.26 118.30 2isa h ALA 336 Ca -0.23 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 54.61 2isa h ALA 336 Cb 1.03 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.64 2isa h ALA 336 CO -0.14 0.32 -0.05 1.88 0.00 0.00 0.00 179.25 181.25 2isa h TYR 337 N 0.60 0.04 -0.99 0.00 -1.99 -1.85 0.17 116.97 112.96 2isa h TYR 337 Ca 0.16 -0.03 0.05 0.00 2.00 0.00 0.00 58.73 60.91 2isa h TYR 337 Cb -0.03 -0.00 -0.06 0.00 2.00 0.00 0.00 36.73 38.64 2isa h TYR 337 CO 0.00 0.94 0.65 0.78 -0.00 0.00 0.00 178.16 180.52 2isa h GLY 338 N -0.86 1.47 0.87 3.88 0.00 -1.85 0.31 103.07 106.88 2isa h GLY 338 Ca -0.01 -0.48 -0.02 0.00 0.00 0.00 0.00 47.33 46.82 2isa h GLY 338 CO 0.01 0.38 -0.19 -1.80 0.00 0.00 0.00 176.54 174.94 2isa h ASP 339 N 1.21 -0.45 -0.87 0.19 3.58 -1.50 -1.23 116.42 117.35 2isa h ASP 339 Ca 0.41 -0.06 0.09 0.00 0.42 0.00 0.00 57.03 57.88 2isa h ASP 339 Cb 0.08 0.12 -0.07 0.00 1.72 0.00 0.00 39.33 41.18 2isa h ASP 339 CO -0.14 -0.21 0.52 0.00 -2.88 0.00 0.00 179.24 176.53 2isa h ALA 340 N -0.13 1.24 -0.27 -0.78 0.00 -0.30 -2.94 119.26 116.06 2isa h ALA 340 Ca -0.05 0.01 -0.18 0.00 0.00 0.00 0.00 54.91 54.69 2isa h ALA 340 Cb 0.49 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 18.09 2isa h ALA 340 CO 0.09 0.20 -0.54 1.96 0.00 0.00 0.00 179.25 180.95 2isa h GLN 341 N 0.90 0.81 -0.95 0.00 4.20 -0.33 -0.24 115.11 119.50 2isa h GLN 341 Ca 0.41 -0.51 0.02 0.00 0.06 0.00 0.00 58.65 58.62 2isa h GLN 341 Cb 0.30 0.06 -0.05 0.00 0.30 0.00 0.00 27.48 28.09 2isa h GLN 341 CO -0.22 1.14 0.62 0.00 -0.67 0.00 0.00 178.83 179.71 2isa h ARG 342 N 0.62 1.21 -0.12 1.46 3.08 -1.15 0.17 114.38 119.65 2isa h ARG 342 Ca 0.01 -0.07 -0.06 0.00 0.07 0.00 0.00 59.98 59.93 2isa h ARG 342 Cb 1.14 -0.27 -0.00 0.00 0.08 0.00 0.00 29.97 30.91 2isa h ARG 342 CO 0.12 0.80 -0.18 -0.92 -1.07 0.00 0.00 179.97 178.72 2isa h TYR 343 N 1.25 0.41 -0.24 3.04 3.20 -1.35 -1.02 116.97 122.26 2isa h TYR 343 Ca 0.36 -0.14 -0.17 0.00 3.14 0.00 0.00 58.73 61.92 2isa h TYR 343 Cb -0.09 -0.08 -0.00 0.00 1.54 0.00 0.00 36.73 38.10 2isa h TYR 343 CO -0.00 0.78 -0.55 -0.09 -1.64 0.00 0.00 178.16 176.66 2isa h ARG 344 N -0.08 0.71 -0.00 1.82 2.43 -0.84 -3.37 114.38 115.05 2isa h ARG 344 Ca 0.01 -0.45 0.00 0.00 -0.81 0.00 0.00 59.98 58.73 2isa h ARG 344 Cb 0.74 0.05 0.00 0.00 -0.42 0.00 0.00 29.97 30.34 2isa h ARG 344 CO 0.04 1.07 -0.10 1.28 -1.51 0.00 0.00 179.97 180.76 2isa n LEU 345 N -3.98 0.31 0.00 3.80 4.77 0.57 -4.51 117.00 117.95 2isa n LEU 345 Ca -0.04 -0.59 0.00 0.00 -0.03 0.00 0.00 56.01 55.36 2isa n LEU 345 Cb 0.62 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.71 2isa n LEU 345 CO 0.49 0.07 0.00 0.61 -1.33 0.00 0.00 177.39 177.23 2isa n GLY 346 N 0.90 1.57 0.33 -0.72 0.00 -0.39 -4.51 105.19 102.37 2isa n GLY 346 Ca 0.01 -1.74 0.11 0.00 0.00 0.00 0.00 46.02 44.40 2isa n GLY 346 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 173.32 173.08 2isa h VAL 347 N 0.00 0.93 -0.85 1.61 3.04 -1.87 -3.01 116.25 116.11 2isa h VAL 347 Ca 0.00 -0.09 -0.35 0.00 -1.01 0.00 0.00 66.70 65.25 2isa h VAL 347 Cb 0.00 0.64 -0.21 0.00 -2.01 0.00 0.00 31.29 29.71 2isa h VAL 347 CO 0.00 0.05 0.45 0.59 -1.01 0.00 0.00 177.57 177.65 2isa n ASN 348 N -4.47 4.29 0.05 3.17 3.02 -1.26 -4.61 115.26 115.45 2isa n ASN 348 Ca 0.06 -3.36 0.07 0.00 -0.03 0.00 0.00 54.58 51.31 2isa n ASN 348 Cb 0.29 -0.79 0.31 0.00 -0.61 0.00 0.00 39.78 38.99 2isa n ASN 348 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2isa n HIS 349 N -0.59 0.27 1.78 3.10 1.44 -1.14 -1.81 115.22 118.28 2isa n HIS 349 Ca 0.49 0.12 0.15 0.00 -2.01 0.00 0.00 57.72 56.47 2isa n HIS 349 Cb 1.50 -0.69 0.80 0.00 0.12 0.00 0.00 29.99 31.73 2isa n HIS 349 CO 0.00 0.00 0.00 1.04 -2.81 0.00 0.00 176.34 174.57 2isa n GLN 350 N -1.76 1.09 0.00 -1.40 6.02 -1.26 -2.22 117.38 117.85 2isa n GLN 350 Ca 0.02 -0.25 0.13 0.00 -0.01 0.00 0.00 57.00 56.88 2isa n GLN 350 Cb 0.13 -1.49 0.35 0.00 1.02 0.00 0.00 30.24 30.25 2isa n GLN 350 CO 0.00 0.00 0.00 0.72 -1.01 0.00 0.00 177.06 176.77 2isa n HIS 351 N -0.73 0.00 -2.09 1.08 8.25 -0.75 -3.31 115.22 117.66 2isa n HIS 351 Ca 0.21 0.00 -0.42 0.00 -0.26 0.00 0.00 57.72 57.25 2isa n HIS 351 Cb 0.19 -0.24 -0.03 0.00 1.12 0.00 0.00 29.99 31.03 2isa n HIS 351 CO 0.00 0.00 0.00 0.42 0.64 0.00 0.00 176.34 177.40 2isa s ILE 352 N -2.84 3.33 0.30 1.59 1.01 -0.94 -4.88 121.20 118.77 2isa s ILE 352 Ca 0.16 0.82 0.05 0.00 0.00 0.00 0.00 60.65 61.68 2isa s ILE 352 Cb 0.18 -3.52 0.32 0.00 0.01 0.00 0.00 42.46 39.45 2isa s ILE 352 CO 0.62 0.02 1.65 -0.65 0.00 0.00 0.00 174.94 176.58 2isa h PRO 353 N 7.71 0.23 0.00 2.79 0.11 -1.88 0.12 132.00 141.08 2isa h PRO 353 Ca -0.41 -0.01 -0.02 0.00 0.11 0.00 0.00 66.00 65.67 2isa h PRO 353 Cb 1.19 -0.05 -0.00 0.00 0.11 0.00 0.00 31.00 32.25 2isa h PRO 353 CO 0.90 0.15 -0.10 -0.24 -0.21 0.00 0.00 178.00 178.51 2isa h VAL 354 N 0.23 1.00 -0.01 3.15 3.04 -1.90 -2.68 116.25 119.08 2isa h VAL 354 Ca 0.60 -0.34 0.00 0.00 -1.01 0.00 0.00 66.70 65.94 2isa h VAL 354 Cb 1.24 1.19 0.00 0.00 -2.01 0.00 0.00 31.29 31.71 2isa h VAL 354 CO -0.65 0.10 -0.41 0.59 -1.01 0.00 0.00 177.57 176.18 2isa n ASN 355 N -4.31 1.30 -4.76 3.17 3.02 0.41 -4.95 115.26 109.12 2isa n ASN 355 Ca -0.03 -1.04 -0.39 0.00 -0.03 0.00 0.00 54.58 53.09 2isa n ASN 355 Cb 0.18 0.33 -0.05 0.00 -0.61 0.00 0.00 39.78 39.62 2isa n ASN 355 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2isa s ALA 356 N -2.58 3.30 0.72 5.41 0.00 -1.01 -4.84 121.76 122.75 2isa s ALA 356 Ca 0.20 0.70 -0.14 0.00 0.00 0.00 0.00 51.96 52.72 2isa s ALA 356 Cb 0.18 -3.25 0.03 0.00 0.00 0.00 0.00 23.12 20.09 2isa s ALA 356 CO 0.58 0.02 1.14 -1.25 0.00 0.00 0.00 175.76 176.26 2isa s PRO 357 N -1.62 2.34 0.00 0.00 0.04 -1.26 -4.95 135.00 129.55 2isa s PRO 357 Ca 0.46 1.49 0.19 0.00 0.04 0.00 0.00 61.00 63.18 2isa s PRO 357 Cb -0.26 -1.88 0.14 0.00 0.04 0.00 0.00 34.50 32.54 2isa s PRO 357 CO 0.33 -1.62 1.09 0.54 0.04 0.00 0.00 177.00 177.37 2isa n ARG 358 N -2.84 1.61 -3.73 4.56 1.74 -1.26 -4.97 116.66 111.76 2isa n ARG 358 Ca 0.11 -1.60 -0.25 0.00 -0.77 0.00 0.00 57.85 55.34 2isa n ARG 358 Cb 0.52 -1.36 0.01 0.00 -1.02 0.00 0.00 32.46 30.61 2isa n ARG 358 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2isa n PRO 360 N -1.88 1.58 -4.09 0.00 -0.02 -1.26 -5.00 135.00 124.33 2isa n PRO 360 Ca 0.02 0.57 -0.20 0.00 -2.02 0.00 0.00 63.50 61.87 2isa n PRO 360 Cb 0.64 -2.19 -0.16 0.00 -0.02 0.00 0.00 33.50 31.76 2isa n PRO 360 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 2isa s VAL 361 N 0.21 0.47 -0.42 -1.45 0.11 -1.26 -4.92 120.40 113.14 2isa s VAL 361 Ca 0.76 -0.07 0.06 0.00 -2.93 0.00 0.00 61.98 59.79 2isa s VAL 361 Cb -0.79 -0.51 0.20 0.00 -1.53 0.00 0.00 36.38 33.75 2isa s VAL 361 CO 0.47 0.21 0.47 1.57 -3.33 0.00 0.00 175.10 174.50 2isa n HIS 362 N 4.14 -1.11 0.16 1.54 -0.00 -1.26 -5.03 115.22 113.67 2isa n HIS 362 Ca -0.24 -3.15 0.10 0.00 -0.00 0.00 0.00 57.72 54.44 2isa n HIS 362 Cb 0.51 0.22 0.27 0.00 -0.00 0.00 0.00 29.99 30.99 2isa n HIS 362 CO 0.00 0.00 0.00 -1.13 -0.00 0.00 0.00 176.34 175.21 2isa n SER 363 N 2.27 3.25 0.00 0.26 3.41 -1.26 -4.97 113.62 116.58 2isa n SER 363 Ca 0.25 -1.98 0.00 0.00 -0.26 0.00 0.00 58.87 56.88 2isa n SER 363 Cb 0.51 -0.36 0.00 0.00 -0.26 0.00 0.00 64.21 64.10 2isa n SER 363 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2isa n TYR 364 N 1.29 0.00 -1.73 7.33 9.36 -1.26 -4.94 117.16 127.21 2isa n TYR 364 Ca 0.20 0.00 -0.42 0.00 3.32 0.00 0.00 57.90 61.00 2isa n TYR 364 Cb 0.53 0.00 -0.01 0.00 -0.63 0.00 0.00 39.34 39.23 2isa n TYR 364 CO 0.00 0.00 0.00 0.72 0.22 0.00 0.00 176.86 177.80 2isa n HIS 365 N 0.00 2.67 -4.36 2.98 -0.00 -1.26 -4.98 115.22 110.26 2isa n HIS 365 Ca 0.00 0.42 -0.26 0.00 -0.00 0.00 0.00 57.72 57.88 2isa n HIS 365 Cb 0.00 -2.51 -0.10 0.00 -0.00 0.00 0.00 29.99 27.38 2isa n HIS 365 CO 0.00 0.00 0.00 1.03 -0.00 0.00 0.00 176.34 177.37 2isa s ARG 366 N -1.39 1.87 5.43 -0.41 1.81 -1.26 -5.00 118.95 120.00 2isa s ARG 366 Ca 0.59 -1.45 0.00 0.00 -1.72 0.00 0.00 55.73 53.15 2isa s ARG 366 Cb -0.53 -2.00 0.00 0.00 -0.45 0.00 0.00 34.95 31.97 2isa s ARG 366 CO 0.57 0.40 0.00 -0.25 -0.68 0.00 0.00 175.30 175.34 2isa n ASP 367 N -0.12 0.00 0.00 0.23 8.00 -1.26 -5.03 116.55 118.36 2isa n ASP 367 Ca -0.10 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.40 2isa n ASP 367 Cb 0.57 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.67 2isa n ASP 367 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2isa n GLY 368 N 0.00 -1.50 3.76 0.44 0.00 -1.26 -4.76 105.19 101.87 2isa n GLY 368 Ca 0.00 -1.56 -0.41 0.00 0.00 0.00 0.00 46.02 44.06 2isa n GLY 368 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2isa n ALA 369 N -1.15 2.09 -3.67 4.61 0.00 -1.26 -3.51 120.51 117.62 2isa n ALA 369 Ca 0.00 0.29 -0.22 0.00 0.00 0.00 0.00 53.44 53.51 2isa n ALA 369 Cb 0.00 -2.39 0.04 0.00 0.00 0.00 0.00 19.45 17.10 2isa n ALA 369 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.50 176.17 2isa n MET 370 N 0.10 -5.41 -2.58 0.00 2.81 -1.26 -4.48 117.12 106.30 2isa n MET 370 Ca 0.04 0.67 -0.42 0.00 -1.81 0.00 0.00 57.70 56.17 2isa n MET 370 Cb 0.40 -5.36 -0.03 0.00 -0.71 0.00 0.00 33.22 27.52 2isa n MET 370 CO 0.00 0.00 0.00 0.50 1.51 0.00 0.00 175.97 177.98 2isa s ARG 371 N -5.96 3.45 0.00 0.03 6.06 -1.23 -4.85 118.95 116.45 2isa s ARG 371 Ca 0.10 0.14 0.11 0.00 -2.50 0.00 0.00 55.73 53.58 2isa s ARG 371 Cb -0.05 -4.05 -0.03 0.00 0.06 0.00 0.00 34.95 30.88 2isa s ARG 371 CO 0.80 -1.76 0.61 1.33 -2.50 0.00 0.00 175.30 173.77 2isa n VAL 372 N 6.60 0.00 0.34 7.11 0.24 -1.26 -4.70 118.33 126.66 2isa n VAL 372 Ca 0.07 -0.35 0.10 0.00 -2.04 0.00 0.00 64.34 62.12 2isa n VAL 372 Cb 0.49 1.09 0.26 0.00 -1.47 0.00 0.00 33.84 34.21 2isa n VAL 372 CO 0.00 0.00 0.00 -0.90 -2.14 0.00 0.00 176.83 173.79 2isa n ASP 373 N -0.51 2.91 0.00 -1.34 5.75 -1.26 -4.91 116.55 117.19 2isa n ASP 373 Ca 0.04 -1.97 0.00 0.00 -0.01 0.00 0.00 54.79 52.85 2isa n ASP 373 Cb 0.21 -0.33 0.00 0.00 -1.03 0.00 0.00 41.12 39.97 2isa n ASP 373 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2isa n GLY 374 N 1.38 2.37 2.77 6.12 0.00 -1.26 -4.56 105.19 112.02 2isa n GLY 374 Ca 0.18 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.99 2isa n GLY 374 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 2isa n ASN 375 N 0.00 -5.96 -1.50 1.61 5.15 -1.26 -1.06 115.26 112.23 2isa n ASN 375 Ca 0.00 -0.19 -0.20 0.00 -0.60 0.00 0.00 54.58 53.60 2isa n ASN 375 Cb 0.00 -4.85 -0.08 0.00 -0.53 0.00 0.00 39.78 34.32 2isa n ASN 375 CO 0.00 0.00 0.00 0.49 1.40 0.00 0.00 177.26 179.15 2isa n PHE 376 N -4.33 0.00 0.00 1.20 3.01 -1.26 -4.81 117.46 111.27 2isa n PHE 376 Ca -0.16 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.30 2isa n PHE 376 Cb 0.64 -3.30 0.00 0.00 -0.01 0.00 0.00 39.48 36.81 2isa n PHE 376 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 2isa n GLY 377 N -0.55 3.20 0.78 1.37 0.00 -0.23 -2.01 105.19 107.75 2isa n GLY 377 Ca -0.20 0.06 0.12 0.00 0.00 0.00 0.00 46.02 46.00 2isa n GLY 377 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2isa n SER 378 N 4.08 2.36 -4.62 1.61 3.41 -1.26 -4.95 113.62 114.26 2isa n SER 378 Ca 0.00 -1.80 -0.49 0.00 -0.26 0.00 0.00 58.87 56.32 2isa n SER 378 Cb 0.00 -0.12 -0.05 0.00 -0.26 0.00 0.00 64.21 63.79 2isa n SER 378 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 175.04 175.29 2isa n THR 379 N 0.79 0.33 -1.07 6.66 -1.04 -0.85 -4.92 114.28 114.18 2isa n THR 379 Ca 0.17 -0.08 -0.34 0.00 -2.04 0.00 0.00 64.05 61.76 2isa n THR 379 Cb 0.45 -1.09 0.12 0.00 -1.82 0.00 0.00 70.33 68.00 2isa n THR 379 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2isa n LEU 380 N 2.57 3.39 -0.76 -4.42 -0.00 -1.26 -4.96 117.00 111.55 2isa n LEU 380 Ca 0.16 0.55 0.09 0.00 -0.00 0.00 0.00 56.01 56.82 2isa n LEU 380 Cb 0.24 -1.44 0.09 0.00 -0.00 0.00 0.00 43.42 42.32 2isa n LEU 380 CO 0.62 -2.12 0.55 0.61 -0.00 0.00 0.00 177.39 177.06 2isa n GLY 381 N 0.79 0.58 3.48 1.47 0.00 -1.26 -5.01 105.19 105.24 2isa n GLY 381 Ca 0.12 -0.54 -0.28 0.00 0.00 0.00 0.00 46.02 45.32 2isa n GLY 381 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 2isa s TYR 382 N -1.50 2.48 -0.11 1.61 1.13 -1.26 -5.09 117.35 114.61 2isa s TYR 382 Ca 0.23 -0.29 -0.07 0.00 -1.41 0.00 0.00 57.07 55.53 2isa s TYR 382 Cb 0.16 -1.27 0.04 0.00 -1.10 0.00 0.00 41.96 39.78 2isa s TYR 382 CO 0.23 0.44 0.27 -2.00 -2.51 0.00 0.00 175.55 171.98 2isa s GLU 383 N -2.43 0.27 0.53 -3.49 -6.30 -1.26 -4.35 118.70 101.67 2isa s GLU 383 Ca 0.20 0.48 -0.22 0.00 -2.50 0.00 0.00 54.97 52.93 2isa s GLU 383 Cb -0.09 0.01 -0.05 0.00 0.00 0.00 0.00 34.13 33.99 2isa s GLU 383 CO 0.11 -0.11 1.33 -1.25 0.02 0.00 0.00 175.26 175.36 2isa s PRO 384 N 0.77 3.24 0.18 4.30 0.04 -1.26 -5.19 135.00 137.07 2isa s PRO 384 Ca -0.05 2.16 -0.09 0.00 0.04 0.00 0.00 61.00 63.06 2isa s PRO 384 Cb -0.06 -2.28 -0.01 0.00 0.04 0.00 0.00 34.50 32.19 2isa s PRO 384 CO -0.05 -1.09 0.30 0.54 0.04 0.00 0.00 177.00 176.74 2isa s ASN 385 N -1.02 0.03 -0.02 6.66 2.20 -1.26 -5.07 114.94 116.46 2isa s ASN 385 Ca 0.70 -0.90 0.14 0.00 -0.94 0.00 0.00 52.86 51.86 2isa s ASN 385 Cb -0.39 0.45 0.43 0.00 -2.00 0.00 0.00 41.25 39.75 2isa s ASN 385 CO 0.46 -0.92 1.34 -0.90 -2.94 0.00 0.00 177.10 174.14 2isa n ASP 386 N -0.24 2.73 -0.50 3.54 5.75 -1.26 -3.70 116.55 122.87 2isa n ASP 386 Ca -0.06 -2.08 0.05 0.00 -0.01 0.00 0.00 54.79 52.69 2isa n ASP 386 Cb 0.63 -0.36 0.10 0.00 -1.03 0.00 0.00 41.12 40.46 2isa n ASP 386 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2isa n GLN 387 N 0.82 1.97 -1.43 0.11 6.02 -1.26 -4.98 117.38 118.63 2isa n GLN 387 Ca 0.16 -1.66 -0.15 0.00 -0.01 0.00 0.00 57.00 55.34 2isa n GLN 387 Cb 0.46 -1.22 -0.06 0.00 1.02 0.00 0.00 30.24 30.44 2isa n GLN 387 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2isa n GLY 388 N 0.45 1.53 3.81 1.08 0.00 -1.24 -4.97 105.19 105.84 2isa n GLY 388 Ca 0.09 -0.31 -0.34 0.00 0.00 0.00 0.00 46.02 45.45 2isa n GLY 388 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2isa s GLN 389 N -3.26 4.32 -1.34 1.61 2.00 -1.26 -3.96 119.66 117.77 2isa s GLN 389 Ca 0.00 1.19 -0.06 0.00 -2.00 0.00 0.00 55.36 54.49 2isa s GLN 389 Cb 0.00 -2.36 0.02 0.00 0.80 0.00 0.00 33.01 31.47 2isa s GLN 389 CO 0.00 0.05 1.05 0.91 -0.50 0.00 0.00 175.29 176.80 2isa n TRP 390 N -0.29 -2.50 -2.40 1.67 7.02 -1.26 -4.76 117.44 114.91 2isa n TRP 390 Ca 0.06 0.96 -0.43 0.00 -1.02 0.00 0.00 57.50 57.07 2isa n TRP 390 Cb 0.53 -4.81 -0.02 0.00 -2.42 0.00 0.00 31.31 24.58 2isa n TRP 390 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 2isa s ALA 391 N -3.37 3.63 0.87 6.99 0.00 -1.25 -5.01 121.76 123.62 2isa s ALA 391 Ca 0.38 0.52 -0.10 0.00 0.00 0.00 0.00 51.96 52.75 2isa s ALA 391 Cb -0.17 -3.61 0.12 0.00 0.00 0.00 0.00 23.12 19.46 2isa s ALA 391 CO 0.76 -1.10 1.11 -1.83 0.00 0.00 0.00 175.76 174.70 2isa s GLU 392 N 3.26 1.42 -0.70 0.00 -1.05 -1.26 -5.00 118.70 115.38 2isa s GLU 392 Ca 0.56 1.30 0.05 0.00 -0.15 0.00 0.00 54.97 56.73 2isa s GLU 392 Cb -0.23 -1.79 0.17 0.00 -0.44 0.00 0.00 34.13 31.84 2isa s GLU 392 CO 0.17 -2.27 0.49 -0.65 0.95 0.00 0.00 175.26 173.95 2isa s GLN 393 N -4.77 2.46 0.57 -4.83 -0.21 -1.26 -4.95 119.66 106.67 2isa s GLN 393 Ca 0.64 -3.33 0.35 0.00 0.02 0.00 0.00 55.36 53.04 2isa s GLN 393 Cb -0.20 -3.43 1.54 0.00 1.00 0.00 0.00 33.01 31.91 2isa s GLN 393 CO 0.57 -1.28 2.05 -1.00 -2.12 0.00 0.00 175.29 173.51 2isa h PRO 394 N 5.44 0.00 0.00 2.91 0.13 -2.01 -1.95 132.00 136.51 2isa h PRO 394 Ca 0.14 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.27 2isa h PRO 394 Cb 0.76 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.89 2isa h PRO 394 CO 0.72 0.02 0.00 -0.44 -0.23 0.00 0.00 178.00 178.07 2isa h ASP 395 N 0.00 0.00 -0.42 1.44 5.19 -2.04 -1.79 116.42 118.80 2isa h ASP 395 Ca -0.00 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.41 2isa h ASP 395 Cb 0.43 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.94 2isa h ASP 395 CO 0.00 0.00 0.00 0.49 -3.12 0.00 0.00 179.24 176.61 2isa n PHE 396 N -3.01 0.55 -1.78 4.55 3.72 -0.73 -4.98 117.46 115.78 2isa n PHE 396 Ca -0.03 -0.28 -0.40 0.00 -0.05 0.00 0.00 57.45 56.69 2isa n PHE 396 Cb 0.07 0.00 0.01 0.00 -0.94 0.00 0.00 39.48 38.62 2isa n PHE 396 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 176.76 177.16 2isa s SER 397 N -1.26 6.07 0.29 4.37 0.15 -0.67 -5.00 113.70 117.65 2isa s SER 397 Ca 0.36 3.00 -0.04 0.00 0.70 0.00 0.00 55.95 59.97 2isa s SER 397 Cb 0.20 -2.66 -0.05 0.00 -1.71 0.00 0.00 66.02 61.80 2isa s SER 397 CO 0.27 -1.06 0.55 -1.61 1.20 0.00 0.00 173.24 172.59 2isa s GLU 398 N -2.30 3.61 0.62 5.44 2.02 -1.26 -5.07 118.70 121.77 2isa s GLU 398 Ca 0.57 -0.04 -0.17 0.00 0.02 0.00 0.00 54.97 55.35 2isa s GLU 398 Cb -0.45 -2.65 -0.02 0.00 0.10 0.00 0.00 34.13 31.10 2isa s GLU 398 CO 0.60 0.21 1.14 -1.25 0.02 0.00 0.00 175.26 175.99 2isa s PRO 399 N -3.62 2.92 0.76 0.39 0.04 -1.26 -5.00 135.00 129.22 2isa s PRO 399 Ca 0.43 1.57 -0.15 0.00 0.04 0.00 0.00 61.00 62.89 2isa s PRO 399 Cb -0.11 -1.95 0.01 0.00 0.04 0.00 0.00 34.50 32.49 2isa s PRO 399 CO 0.31 -1.19 0.81 -2.30 0.04 0.00 0.00 177.00 174.67 2isa n PRO 400 N -1.97 0.29 -4.14 0.56 -0.02 -1.26 -5.02 135.00 123.43 2isa n PRO 400 Ca 0.12 0.15 -0.34 0.00 -2.02 0.00 0.00 63.50 61.41 2isa n PRO 400 Cb 0.51 -2.10 -0.14 0.00 -0.02 0.00 0.00 33.50 31.75 2isa n PRO 400 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 2isa s LEU 401 N -2.45 2.88 0.42 2.45 2.96 -1.26 -5.10 118.68 118.57 2isa s LEU 401 Ca 0.69 -0.35 -0.26 0.00 -0.22 0.00 0.00 54.13 53.98 2isa s LEU 401 Cb -0.32 -1.71 -0.09 0.00 0.50 0.00 0.00 46.19 44.57 2isa s LEU 401 CO 0.55 0.04 1.39 0.20 -1.32 0.00 0.00 176.35 177.20 2isa s ASN 402 N 1.12 6.16 0.13 3.68 0.02 -1.26 -5.03 114.94 119.77 2isa s ASN 402 Ca 0.01 2.84 0.08 0.00 -1.02 0.00 0.00 52.86 54.77 2isa s ASN 402 Cb -0.15 -2.65 -0.04 0.00 0.02 0.00 0.00 41.25 38.44 2isa s ASN 402 CO -0.01 -0.97 -0.19 -0.76 0.02 0.00 0.00 177.10 175.19 2isa s LEU 403 N -2.46 2.38 -0.16 0.60 1.02 -1.26 -5.15 118.68 113.66 2isa s LEU 403 Ca 0.57 -0.78 -0.08 0.00 0.02 0.00 0.00 54.13 53.86 2isa s LEU 403 Cb -0.42 -0.81 0.06 0.00 0.02 0.00 0.00 46.19 45.03 2isa s LEU 403 CO 0.55 -0.01 0.38 -0.62 0.02 0.00 0.00 176.35 176.67 2isa s ASP 404 N -2.33 -0.46 0.00 2.29 -1.08 -1.26 -5.14 116.67 108.69 2isa s ASP 404 Ca 0.11 0.82 0.00 0.00 -0.52 0.00 0.00 52.55 52.96 2isa s ASP 404 Cb -0.07 0.72 0.00 0.00 -1.46 0.00 0.00 42.92 42.10 2isa s ASP 404 CO 0.05 -0.19 0.00 0.61 0.52 0.00 0.00 175.17 176.16 2isa n GLY 405 N 4.29 1.97 3.81 2.66 0.00 -1.26 -5.06 105.19 111.61 2isa n GLY 405 Ca -0.23 -2.00 -0.32 0.00 0.00 0.00 0.00 46.02 43.47 2isa n GLY 405 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2isa s ALA 406 N -2.36 2.80 -0.15 4.61 0.00 -1.26 -4.99 121.76 120.41 2isa s ALA 406 Ca 0.00 0.28 -0.29 0.00 0.00 0.00 0.00 51.96 51.95 2isa s ALA 406 Cb 0.00 -3.20 -0.04 0.00 0.00 0.00 0.00 23.12 19.88 2isa s ALA 406 CO 0.00 -0.78 1.65 0.00 0.00 0.00 0.00 175.76 176.63 2isa s ALA 407 N -2.62 3.40 0.16 0.00 0.00 -1.26 -4.96 121.76 116.48 2isa s ALA 407 Ca 0.61 0.68 -0.24 0.00 0.00 0.00 0.00 51.96 53.01 2isa s ALA 407 Cb -0.14 -3.81 0.06 0.00 0.00 0.00 0.00 23.12 19.22 2isa s ALA 407 CO 0.40 -1.75 0.84 0.00 0.00 0.00 0.00 175.76 175.26 2isa s ALA 408 N 4.83 -1.57 -1.17 0.00 0.00 -1.26 -5.07 121.76 117.53 2isa s ALA 408 Ca 0.73 0.21 -0.16 0.00 0.00 0.00 0.00 51.96 52.75 2isa s ALA 408 Cb -0.29 0.68 0.14 0.00 0.00 0.00 0.00 23.12 23.66 2isa s ALA 408 CO 0.29 -0.95 1.43 -1.01 0.00 0.00 0.00 175.76 175.53 2isa s HIS 409 N -3.47 3.28 0.10 0.00 3.76 -1.26 -5.01 115.29 112.69 2isa s HIS 409 Ca 0.09 -1.88 -0.31 0.00 -0.15 0.00 0.00 55.06 52.81 2isa s HIS 409 Cb -0.02 -4.39 -0.08 0.00 1.11 0.00 0.00 32.58 29.19 2isa s HIS 409 CO -0.00 -1.50 1.47 -1.58 -0.85 0.00 0.00 174.74 172.27 2isa s TRP 410 N 2.32 3.02 -0.34 1.40 0.52 -1.26 -4.94 118.94 119.66 2isa s TRP 410 Ca 0.43 0.77 -0.29 0.00 0.02 0.00 0.00 56.10 57.03 2isa s TRP 410 Cb -0.02 -3.77 -0.01 0.00 -1.15 0.00 0.00 33.47 28.52 2isa s TRP 410 CO -0.01 -2.83 1.66 0.34 0.02 0.00 0.00 176.95 176.14 2isa s ASP 411 N 1.43 6.10 0.60 2.95 2.15 -1.26 -4.87 116.67 123.77 2isa s ASP 411 Ca 0.67 1.22 0.38 0.00 0.43 0.00 0.00 52.55 55.24 2isa s ASP 411 Cb -0.38 -2.53 1.83 0.00 -0.30 0.00 0.00 42.92 41.54 2isa s ASP 411 CO 0.30 -1.56 2.16 1.12 -0.17 0.00 0.00 175.17 177.02 2isa h HIS 412 N 11.91 0.00 0.00 -5.34 2.07 -1.96 -2.54 115.15 119.28 2isa h HIS 412 Ca -0.32 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.20 2isa h HIS 412 Cb 1.15 0.00 0.00 0.00 2.57 0.00 0.00 27.41 31.13 2isa h HIS 412 CO 0.95 0.01 0.00 0.54 -3.07 0.00 0.00 177.93 176.36 2isa n ARG 413 N -3.13 0.49 -0.04 5.12 1.74 -1.26 -1.66 116.66 117.90 2isa n ARG 413 Ca -0.01 0.03 0.16 0.00 -0.77 0.00 0.00 57.85 57.26 2isa n ARG 413 Cb 0.20 -1.50 0.60 0.00 -1.02 0.00 0.00 32.46 30.74 2isa n ARG 413 CO 0.00 0.00 0.00 1.49 -1.52 0.00 0.00 177.63 177.60 2isa h GLU 414 N 0.00 0.19 -4.67 5.56 4.81 -1.86 -3.34 114.58 115.27 2isa h GLU 414 Ca 0.00 -0.01 -0.71 0.00 -0.13 0.00 0.00 59.36 58.51 2isa h GLU 414 Cb 0.04 -0.04 -0.20 0.00 0.63 0.00 0.00 28.75 29.18 2isa h GLU 414 CO 0.00 0.12 -0.14 0.34 -0.73 0.00 0.00 179.01 178.60 2isa s ASP 415 N -6.21 6.19 -0.13 1.04 2.15 -0.67 -4.93 116.67 114.11 2isa s ASP 415 Ca -0.06 -1.06 0.18 0.00 0.43 0.00 0.00 52.55 52.04 2isa s ASP 415 Cb 0.20 -2.24 0.74 0.00 -0.30 0.00 0.00 42.92 41.32 2isa s ASP 415 CO 0.74 -0.75 1.65 -0.62 -0.17 0.00 0.00 175.17 176.02 2isa n GLU 416 N 5.69 3.90 -2.57 4.34 1.02 -1.26 -4.77 120.64 126.99 2isa n GLU 416 Ca -0.09 -2.94 -0.42 0.00 -0.02 0.00 0.00 57.16 53.69 2isa n GLU 416 Cb 0.45 -1.95 -0.02 0.00 -0.02 0.00 0.00 31.44 29.90 2isa n GLU 416 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 2isa s ASP 417 N -0.90 6.60 -0.03 1.62 2.15 -1.26 -4.68 116.67 120.17 2isa s ASP 417 Ca 0.52 -1.76 0.20 0.00 0.43 0.00 0.00 52.55 51.94 2isa s ASP 417 Cb 0.34 -2.57 -0.31 0.00 -0.30 0.00 0.00 42.92 40.08 2isa s ASP 417 CO 0.24 -1.41 0.43 -1.22 -0.17 0.00 0.00 175.17 173.05 2isa n TYR 418 N 8.75 0.00 0.03 -5.34 4.01 -1.26 -4.76 117.16 118.58 2isa n TYR 418 Ca 0.38 0.00 0.02 0.00 -0.16 0.00 0.00 57.90 58.14 2isa n TYR 418 Cb 0.49 -0.48 -0.02 0.00 -0.31 0.00 0.00 39.34 39.02 2isa n TYR 418 CO 0.00 0.00 0.00 1.19 -0.46 0.00 0.00 176.86 177.59 2isa n PHE 419 N -2.23 0.00 -0.07 -0.72 3.72 -1.26 -4.63 117.46 112.28 2isa n PHE 419 Ca -0.05 0.00 -0.13 0.00 -0.05 0.00 0.00 57.45 57.22 2isa n PHE 419 Cb 0.55 -0.06 -0.06 0.00 -0.94 0.00 0.00 39.48 38.97 2isa n PHE 419 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 176.76 177.37 2isa h SER 420 N 0.00 0.45 -0.42 4.37 4.64 -1.88 -1.30 113.55 119.41 2isa h SER 420 Ca 0.00 -0.46 -0.11 0.00 -0.47 0.00 0.00 61.79 60.75 2isa h SER 420 Cb 0.13 -0.13 -0.01 0.00 -0.31 0.00 0.00 62.40 62.08 2isa h SER 420 CO 0.00 0.81 -0.18 1.56 -0.87 0.00 0.00 176.83 178.16 2isa h GLN 421 N 0.09 0.86 -0.51 4.77 4.20 -1.92 0.38 115.11 122.97 2isa h GLN 421 Ca 0.03 -0.36 0.03 0.00 0.06 0.00 0.00 58.65 58.41 2isa h GLN 421 Cb 0.67 -0.03 -0.03 0.00 0.30 0.00 0.00 27.48 28.39 2isa h GLN 421 CO 0.04 1.00 0.34 -1.35 -0.67 0.00 0.00 178.83 178.19 2isa h PRO 422 N 0.68 0.55 -0.48 1.46 0.11 -1.82 0.18 132.00 132.67 2isa h PRO 422 Ca 0.10 -0.03 -0.09 0.00 0.11 0.00 0.00 66.00 66.08 2isa h PRO 422 Cb 0.73 -0.12 -0.02 0.00 0.11 0.00 0.00 31.00 31.70 2isa h PRO 422 CO 0.06 0.37 -0.05 0.78 -0.21 0.00 0.00 178.00 178.94 2isa h GLY 423 N 0.57 0.94 0.83 -0.55 0.00 -0.84 -1.28 103.07 102.75 2isa h GLY 423 Ca 0.21 -0.73 0.01 0.00 0.00 0.00 0.00 47.33 46.81 2isa h GLY 423 CO -0.05 0.67 -0.10 -0.55 0.00 0.00 0.00 176.54 176.50 2isa h ASP 424 N 0.72 -0.28 -0.14 0.19 3.32 -0.45 -0.90 116.42 118.89 2isa h ASP 424 Ca 0.13 0.03 0.03 0.00 0.02 0.00 0.00 57.03 57.24 2isa h ASP 424 Cb 0.58 0.10 -0.03 0.00 0.22 0.00 0.00 39.33 40.20 2isa h ASP 424 CO 0.03 -0.16 -0.04 0.25 -1.72 0.00 0.00 179.24 177.61 2isa h LEU 425 N -0.21 -0.13 -0.75 1.55 5.85 -0.95 -2.35 115.31 118.31 2isa h LEU 425 Ca 0.01 0.04 0.06 0.00 0.84 0.00 0.00 57.88 58.84 2isa h LEU 425 Cb 0.22 0.09 -0.06 0.00 0.37 0.00 0.00 40.66 41.28 2isa h LEU 425 CO -0.05 -0.05 0.44 0.15 -0.34 0.00 0.00 178.44 178.59 2isa h PHE 426 N -0.00 0.81 -0.17 1.25 3.57 -1.16 -2.29 116.94 118.94 2isa h PHE 426 Ca 0.07 0.03 -0.02 0.00 3.53 0.00 0.00 57.97 61.57 2isa h PHE 426 Cb 0.10 -0.25 -0.01 0.00 2.79 0.00 0.00 35.95 38.58 2isa h PHE 426 CO -0.18 0.40 0.01 0.78 -2.23 0.00 0.00 178.31 177.09 2isa h GLY 427 N 0.80 0.26 2.00 2.40 0.00 -0.88 -2.45 103.07 105.21 2isa h GLY 427 Ca 0.33 -0.13 -0.02 0.00 0.00 0.00 0.00 47.33 47.51 2isa h GLY 427 CO -0.18 0.12 -0.10 1.41 0.00 0.00 0.00 176.54 177.79 2isa h LEU 428 N 0.25 0.00 -9.83 3.11 -0.00 -0.88 -3.46 115.31 104.50 2isa h LEU 428 Ca 0.06 0.00 -0.51 0.00 -0.00 0.00 0.00 57.88 57.43 2isa h LEU 428 Cb 0.16 0.00 0.03 0.00 -0.00 0.00 0.00 40.66 40.85 2isa h LEU 428 CO 0.00 0.10 0.53 -0.04 -0.00 0.00 0.00 178.44 179.03 2isa s MET 429 N -3.34 4.55 0.84 1.13 -1.94 -0.93 -5.03 119.30 114.58 2isa s MET 429 Ca 0.04 1.93 -0.12 0.00 -1.71 0.00 0.00 55.69 55.84 2isa s MET 429 Cb 0.07 -3.15 0.10 0.00 2.01 0.00 0.00 34.83 33.86 2isa s MET 429 CO 0.65 0.08 1.17 0.95 -0.01 0.00 0.00 175.02 177.86 2isa s THR 430 N -1.16 2.23 0.28 2.05 -4.23 -1.26 -4.71 115.64 108.83 2isa s THR 430 Ca 0.46 0.09 0.01 0.00 -1.18 0.00 0.00 61.69 61.07 2isa s THR 430 Cb -0.34 -2.35 0.27 0.00 1.34 0.00 0.00 72.50 71.42 2isa s THR 430 CO 0.45 -0.08 1.69 0.00 -0.54 0.00 0.00 174.62 176.13 2isa h ALA 431 N -1.25 1.27 0.21 3.99 0.00 -1.97 0.58 119.26 122.09 2isa h ALA 431 Ca -0.45 0.17 0.01 0.00 0.00 0.00 0.00 54.91 54.64 2isa h ALA 431 Cb 1.28 0.19 -0.02 0.00 0.00 0.00 0.00 17.79 19.23 2isa h ALA 431 CO 0.45 -0.34 -0.25 1.49 0.00 0.00 0.00 179.25 180.59 2isa h GLU 432 N 0.35 -0.49 -0.47 0.00 4.57 -2.00 -0.88 114.58 115.66 2isa h GLU 432 Ca 0.51 0.03 0.00 0.00 -1.18 0.00 0.00 59.36 58.73 2isa h GLU 432 Cb 0.95 0.11 -0.02 0.00 -0.16 0.00 0.00 28.75 29.63 2isa h GLU 432 CO -0.53 -0.33 0.30 0.87 -1.18 0.00 0.00 179.01 178.14 2isa h LYS 433 N -0.51 0.63 -0.45 1.92 1.57 -1.64 -2.04 116.57 116.04 2isa h LYS 433 Ca 0.01 -0.04 -0.12 0.00 -1.87 0.00 0.00 60.65 58.63 2isa h LYS 433 Cb 0.50 -0.14 -0.01 0.00 0.08 0.00 0.00 32.23 32.65 2isa h LYS 433 CO -0.09 0.42 -0.17 1.96 -0.57 0.00 0.00 179.45 181.00 2isa h GLN 434 N 0.64 0.91 -0.39 3.15 4.20 -0.62 -1.93 115.11 121.08 2isa h GLN 434 Ca 0.17 -0.38 -0.05 0.00 0.06 0.00 0.00 58.65 58.45 2isa h GLN 434 Cb -0.06 -0.04 -0.02 0.00 0.30 0.00 0.00 27.48 27.67 2isa h GLN 434 CO -0.04 1.04 0.03 0.00 -0.67 0.00 0.00 178.83 179.19 2isa h ALA 435 N 0.85 1.32 -0.22 3.87 0.00 -0.75 -0.74 119.26 123.60 2isa h ALA 435 Ca 0.11 -0.21 -0.02 0.00 0.00 0.00 0.00 54.91 54.79 2isa h ALA 435 Cb 0.74 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.35 2isa h ALA 435 CO 0.06 0.47 0.05 0.82 0.00 0.00 0.00 179.25 180.64 2isa h ILE 436 N 0.58 1.22 -0.36 0.00 2.04 -1.27 -1.29 117.51 118.43 2isa h ILE 436 Ca 0.13 -0.71 0.07 0.00 1.00 0.00 0.00 64.86 65.35 2isa h ILE 436 Cb 0.33 1.27 -0.07 0.00 -0.74 0.00 0.00 36.82 37.61 2isa h ILE 436 CO 0.01 0.22 -0.08 0.25 0.00 0.00 0.00 178.15 178.55 2isa h LEU 437 N 0.17 -0.31 -0.41 1.44 6.46 -0.89 0.34 115.31 122.10 2isa h LEU 437 Ca 0.07 0.11 -0.01 0.00 -0.12 0.00 0.00 57.88 57.93 2isa h LEU 437 Cb 0.29 0.22 -0.02 0.00 -0.73 0.00 0.00 40.66 40.42 2isa h LEU 437 CO 0.00 -0.11 0.23 -0.26 -0.62 0.00 0.00 178.44 177.68 2isa h PHE 438 N 0.01 0.56 -0.19 1.25 0.05 -1.05 -1.98 116.94 115.60 2isa h PHE 438 Ca 0.17 -0.01 -0.03 0.00 3.82 0.00 0.00 57.97 61.92 2isa h PHE 438 Cb 0.26 -0.18 -0.01 0.00 2.00 0.00 0.00 35.95 38.03 2isa h PHE 438 CO -0.32 0.43 -0.01 0.22 -0.18 0.00 0.00 178.31 178.45 2isa h ASP 439 N 0.54 0.34 -0.74 2.17 3.58 -0.92 -1.52 116.42 119.87 2isa h ASP 439 Ca 0.15 -0.32 0.03 0.00 0.42 0.00 0.00 57.03 57.30 2isa h ASP 439 Cb 0.05 -0.09 -0.05 0.00 1.72 0.00 0.00 39.33 40.96 2isa h ASP 439 CO -0.02 0.58 0.47 0.78 -2.88 0.00 0.00 179.24 178.16 2isa h ASN 440 N 0.08 0.77 0.10 2.28 -0.26 -0.90 -1.92 115.58 115.73 2isa h ASN 440 Ca 0.05 -0.00 -0.00 0.00 -0.56 0.00 0.00 56.30 55.79 2isa h ASN 440 Cb 0.41 -0.17 0.00 0.00 -1.06 0.00 0.00 38.32 37.51 2isa h ASN 440 CO 0.01 0.53 -0.05 0.74 -1.06 0.00 0.00 177.43 177.61 2isa h THR 441 N 0.91 1.11 -0.87 2.81 2.02 -1.30 -1.31 112.91 116.27 2isa h THR 441 Ca 0.30 -0.83 0.11 0.00 0.77 0.00 0.00 66.41 66.76 2isa h THR 441 Cb 0.02 1.63 -0.06 0.00 -1.74 0.00 0.00 68.15 68.00 2isa h THR 441 CO -0.11 0.20 0.56 0.00 0.37 0.00 0.00 175.52 176.54 2isa h ALA 442 N 0.34 1.71 0.04 6.16 0.00 -1.22 -0.35 119.26 125.94 2isa h ALA 442 Ca -0.01 0.00 -0.23 0.00 0.00 0.00 0.00 54.91 54.67 2isa h ALA 442 Cb 0.42 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.03 2isa h ALA 442 CO 0.02 0.10 -1.03 0.00 0.00 0.00 0.00 179.25 178.34 2isa h ARG 443 N 0.81 0.17 0.00 0.00 3.08 -1.32 -3.18 114.38 113.94 2isa h ARG 443 Ca 0.41 -0.24 -0.09 0.00 0.07 0.00 0.00 59.98 60.14 2isa h ARG 443 Cb 0.50 0.08 -0.01 0.00 0.08 0.00 0.00 29.97 30.61 2isa h ARG 443 CO -0.18 1.05 -0.41 -0.97 -1.07 0.00 0.00 179.97 178.39 2isa h ASN 444 N 0.07 0.00 -0.08 7.04 -0.73 -0.59 -2.51 115.58 118.78 2isa h ASN 444 Ca -0.06 0.00 0.00 0.00 1.87 0.00 0.00 56.30 58.11 2isa h ASN 444 Cb 1.73 0.00 0.00 0.00 0.27 0.00 0.00 38.32 40.32 2isa h ASN 444 CO 0.16 0.41 0.00 0.18 -0.37 0.00 0.00 177.43 177.81 2isa n LEU 445 N -4.02 0.63 -4.70 0.34 4.77 -0.20 -4.90 117.00 108.92 2isa n LEU 445 Ca -0.02 -0.28 -0.42 0.00 -0.03 0.00 0.00 56.01 55.26 2isa n LEU 445 Cb 0.44 -0.05 -0.03 0.00 -2.33 0.00 0.00 43.42 41.45 2isa n LEU 445 CO 0.39 0.14 1.33 0.21 -1.33 0.00 0.00 177.39 178.13 2isa s ASN 446 N -1.38 6.54 0.00 -1.43 3.84 -0.95 -2.13 114.94 119.44 2isa s ASN 446 Ca 0.22 2.61 0.00 0.00 0.21 0.00 0.00 52.86 55.91 2isa s ASN 446 Cb 0.11 -2.58 0.00 0.00 -0.55 0.00 0.00 41.25 38.23 2isa s ASN 446 CO 0.17 -0.90 0.00 0.61 -2.79 0.00 0.00 177.10 174.20 2isa n GLY 447 N 3.96 2.43 3.73 1.21 0.00 -1.26 -4.96 105.19 110.30 2isa n GLY 447 Ca 0.16 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.76 2isa n GLY 447 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2isa s VAL 448 N -2.75 3.72 0.19 1.61 1.01 -0.91 -4.88 120.40 118.40 2isa s VAL 448 Ca 0.00 1.35 -0.32 0.00 0.00 0.00 0.00 61.98 63.02 2isa s VAL 448 Cb 0.00 -3.86 -0.16 0.00 0.00 0.00 0.00 36.38 32.36 2isa s VAL 448 CO 0.00 0.17 1.06 -2.65 0.00 0.00 0.00 175.10 173.68 2isa n PRO 449 N 3.11 1.02 -0.35 2.72 -0.02 -1.26 -4.67 135.00 135.56 2isa n PRO 449 Ca 0.06 0.36 0.14 0.00 -2.02 0.00 0.00 63.50 62.04 2isa n PRO 449 Cb 0.45 -1.78 0.34 0.00 -0.02 0.00 0.00 33.50 32.49 2isa n PRO 449 CO 0.00 0.00 0.00 -0.22 1.98 0.00 0.00 175.50 177.26 2isa h LYS 450 N 2.80 0.71 -0.06 -0.52 3.64 -1.97 -0.59 116.57 120.58 2isa h LYS 450 Ca -0.41 -0.04 -0.05 0.00 -1.27 0.00 0.00 60.65 58.87 2isa h LYS 450 Cb 1.36 -0.16 -0.01 0.00 -0.41 0.00 0.00 32.23 33.01 2isa h LYS 450 CO 0.66 0.47 -0.20 1.05 -2.27 0.00 0.00 179.45 179.17 2isa h GLU 451 N 0.73 0.10 0.07 1.90 9.09 -1.99 0.11 114.58 124.59 2isa h GLU 451 Ca 0.58 -0.02 -0.18 0.00 0.05 0.00 0.00 59.36 59.78 2isa h GLU 451 Cb 0.94 -0.01 0.02 0.00 -1.65 0.00 0.00 28.75 28.04 2isa h GLU 451 CO -0.37 0.30 -0.73 0.82 0.05 0.00 0.00 179.01 179.08 2isa h ILE 452 N 0.10 1.45 -0.53 -1.06 2.04 -1.47 -2.62 117.51 115.41 2isa h ILE 452 Ca 0.02 -2.29 0.11 0.00 1.00 0.00 0.00 64.86 63.70 2isa h ILE 452 Cb 0.41 2.85 -0.10 0.00 -0.74 0.00 0.00 36.82 39.24 2isa h ILE 452 CO 0.03 0.66 -0.16 1.56 0.00 0.00 0.00 178.15 180.23 2isa h GLN 453 N -0.19 -0.03 -0.84 2.37 4.20 -1.05 -2.47 115.11 117.11 2isa h GLN 453 Ca -0.11 0.00 -0.03 0.00 0.06 0.00 0.00 58.65 58.57 2isa h GLN 453 Cb 1.49 0.01 -0.04 0.00 0.30 0.00 0.00 27.48 29.24 2isa h GLN 453 CO 0.14 -0.02 0.39 1.25 -0.67 0.00 0.00 178.83 179.92 2isa h LEU 454 N -0.04 1.10 -0.69 1.46 5.85 -0.82 -1.52 115.31 120.66 2isa h LEU 454 Ca 0.25 -0.14 0.10 0.00 0.84 0.00 0.00 57.88 58.94 2isa h LEU 454 Cb 0.42 -0.28 -0.08 0.00 0.37 0.00 0.00 40.66 41.09 2isa h LEU 454 CO -0.56 0.93 0.31 0.03 -0.34 0.00 0.00 178.44 178.81 2isa h ARG 455 N 1.20 0.50 -0.20 1.25 2.47 -1.06 -0.54 114.38 117.99 2isa h ARG 455 Ca 0.29 -0.03 -0.09 0.00 -1.26 0.00 0.00 59.98 58.89 2isa h ARG 455 Cb 0.13 -0.11 -0.00 0.00 -1.65 0.00 0.00 29.97 28.33 2isa h ARG 455 CO -0.03 0.33 -0.21 1.25 0.56 0.00 0.00 179.97 181.87 2isa h HIS 456 N 0.52 0.60 -0.84 3.04 2.76 -0.90 -2.59 115.15 117.74 2isa h HIS 456 Ca 0.35 -0.18 0.07 0.00 -2.20 0.00 0.00 60.37 58.40 2isa h HIS 456 Cb 0.42 -0.13 -0.06 0.00 1.55 0.00 0.00 27.41 29.19 2isa h HIS 456 CO -0.13 0.86 0.52 0.28 -1.30 0.00 0.00 177.93 178.15 2isa h VAL 457 N 0.18 1.02 -0.40 5.26 2.07 -1.05 -0.51 116.25 122.82 2isa h VAL 457 Ca 0.03 -0.32 0.01 0.00 0.82 0.00 0.00 66.70 67.24 2isa h VAL 457 Cb 0.76 0.01 -0.02 0.00 -1.52 0.00 0.00 31.29 30.51 2isa h VAL 457 CO 0.05 0.17 0.26 0.74 0.02 0.00 0.00 177.57 178.81 2isa h THR 458 N 0.93 1.08 -0.61 2.57 2.02 -1.09 0.16 112.91 117.98 2isa h THR 458 Ca 0.37 -0.18 0.01 0.00 0.77 0.00 0.00 66.41 67.38 2isa h THR 458 Cb 0.19 0.51 -0.03 0.00 -1.74 0.00 0.00 68.15 67.08 2isa h THR 458 CO -0.18 0.10 0.40 0.45 0.37 0.00 0.00 175.52 176.66 2isa h HIS 459 N 0.53 0.76 -0.65 3.16 3.86 -0.99 -1.23 115.15 120.59 2isa h HIS 459 Ca 0.15 0.02 -0.06 0.00 -1.16 0.00 0.00 60.37 59.32 2isa h HIS 459 Cb -0.04 -0.26 -0.03 0.00 1.06 0.00 0.00 27.41 28.15 2isa h HIS 459 CO -0.06 0.47 0.17 0.00 0.86 0.00 0.00 177.93 179.37 2isa h TYR 461 N 0.96 1.11 0.00 0.00 3.20 -0.34 -1.30 116.97 120.60 2isa h TYR 461 Ca 0.21 0.03 -0.07 0.00 3.14 0.00 0.00 58.73 62.04 2isa h TYR 461 Cb 0.35 -0.37 -0.01 0.00 1.54 0.00 0.00 36.73 38.24 2isa h TYR 461 CO 0.03 0.62 -0.32 0.87 -1.64 0.00 0.00 178.16 177.72 2isa h LYS 462 N 1.13 0.00 0.00 1.82 1.57 -0.93 -2.62 116.57 117.54 2isa h LYS 462 Ca 0.37 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 59.15 2isa h LYS 462 Cb 0.05 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.36 2isa h LYS 462 CO -0.13 0.32 -0.00 0.00 -0.57 0.00 0.00 179.45 179.06 2isa h ALA 463 N 1.68 -0.00 -1.92 3.86 0.00 -0.84 -3.46 119.26 118.58 2isa h ALA 463 Ca -0.00 -0.21 0.04 0.00 0.00 0.00 0.00 54.91 54.73 2isa h ALA 463 Cb 0.67 0.00 -0.22 0.00 0.00 0.00 0.00 17.79 18.24 2isa h ALA 463 CO 0.04 -0.29 0.08 0.34 0.00 0.00 0.00 179.25 179.42 2isa s ASP 464 N -5.62 -0.88 0.33 0.00 -1.08 -0.54 -4.11 116.67 104.77 2isa s ASP 464 Ca -0.16 1.40 0.08 0.00 -0.52 0.00 0.00 52.55 53.36 2isa s ASP 464 Cb 0.02 1.38 0.80 0.00 -1.46 0.00 0.00 42.92 43.66 2isa s ASP 464 CO 0.67 -0.22 1.80 -0.65 0.52 0.00 0.00 175.17 177.29 2isa h PRO 465 N 6.87 0.68 0.00 4.34 0.11 -1.71 0.20 132.00 142.49 2isa h PRO 465 Ca -0.29 -0.04 -0.08 0.00 0.11 0.00 0.00 66.00 65.69 2isa h PRO 465 Cb 1.22 -0.15 -0.01 0.00 0.11 0.00 0.00 31.00 32.16 2isa h PRO 465 CO 0.16 0.45 -0.40 0.00 -0.21 0.00 0.00 178.00 178.01 2isa h ALA 466 N 1.62 0.98 0.29 -0.75 0.00 -1.90 -1.81 119.26 117.70 2isa h ALA 466 Ca 0.54 -0.36 -0.01 0.00 0.00 0.00 0.00 54.91 55.08 2isa h ALA 466 Cb 0.92 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.65 2isa h ALA 466 CO -0.32 0.49 -0.14 -0.92 0.00 0.00 0.00 179.25 178.37 2isa h TYR 467 N 0.00 -0.36 -0.33 0.00 3.20 -1.21 -0.44 116.97 117.83 2isa h TYR 467 Ca -0.00 -0.01 0.07 0.00 3.14 0.00 0.00 58.73 61.92 2isa h TYR 467 Cb 0.93 0.12 -0.06 0.00 1.54 0.00 0.00 36.73 39.25 2isa h TYR 467 CO 0.00 -0.01 -0.09 0.78 -1.64 0.00 0.00 178.16 177.20 2isa h GLY 468 N -0.82 0.22 1.41 1.82 0.00 -1.37 -2.69 103.07 101.64 2isa h GLY 468 Ca -0.04 0.12 -0.06 0.00 0.00 0.00 0.00 47.33 47.35 2isa h GLY 468 CO 0.07 -0.13 0.03 -2.09 0.00 0.00 0.00 176.54 174.41 2isa h GLU 469 N -0.01 0.73 -0.82 4.80 4.81 -1.37 0.25 114.58 122.96 2isa h GLU 469 Ca 0.16 -0.17 0.09 0.00 -0.13 0.00 0.00 59.36 59.31 2isa h GLU 469 Cb 0.26 -0.10 -0.07 0.00 0.63 0.00 0.00 28.75 29.47 2isa h GLU 469 CO -0.35 0.72 0.47 0.78 -0.73 0.00 0.00 179.01 179.90 2isa h GLY 470 N 0.94 1.27 1.09 1.92 0.00 -0.74 -0.53 103.07 107.02 2isa h GLY 470 Ca 0.14 -0.31 -0.33 0.00 0.00 0.00 0.00 47.33 46.83 2isa h GLY 470 CO 0.01 0.13 -1.64 -2.22 0.00 0.00 0.00 176.54 172.83 2isa h ILE 471 N 0.79 1.05 -0.53 2.60 2.04 -1.29 -3.33 117.51 118.84 2isa h ILE 471 Ca 0.39 -2.66 0.07 0.00 1.00 0.00 0.00 64.86 63.67 2isa h ILE 471 Cb 0.35 2.77 -0.06 0.00 -0.74 0.00 0.00 36.82 39.14 2isa h ILE 471 CO -0.24 0.83 0.20 1.23 0.00 0.00 0.00 178.15 180.17 2isa h GLY 472 N 1.17 0.72 0.67 5.37 0.00 -0.32 -1.63 103.07 109.06 2isa h GLY 472 Ca -0.29 -0.11 0.05 0.00 0.00 0.00 0.00 47.33 46.98 2isa h GLY 472 CO 0.17 0.01 0.22 0.50 0.00 0.00 0.00 176.54 177.44 2isa h LYS 473 N 0.38 0.41 -0.11 4.80 1.57 -1.25 -0.59 116.57 121.79 2isa h LYS 473 Ca 0.26 -0.02 -0.08 0.00 -1.87 0.00 0.00 60.65 58.93 2isa h LYS 473 Cb 0.28 -0.09 -0.01 0.00 0.08 0.00 0.00 32.23 32.49 2isa h LYS 473 CO -0.26 0.27 -0.30 -0.07 -0.57 0.00 0.00 179.45 178.53 2isa h LEU 474 N 0.43 0.21 -1.21 2.94 3.38 -1.58 -2.74 115.31 116.74 2isa h LEU 474 Ca 0.22 -0.07 0.00 0.00 0.09 0.00 0.00 57.88 58.12 2isa h LEU 474 Cb 0.17 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 40.86 2isa h LEU 474 CO -0.18 0.51 0.00 0.18 0.09 0.00 0.00 178.44 179.04 2isa n LEU 475 N -4.13 1.87 -0.16 1.67 4.77 -0.65 -4.95 117.00 115.43 2isa n LEU 475 Ca -0.01 -0.67 -0.02 0.00 -0.03 0.00 0.00 56.01 55.27 2isa n LEU 475 Cb 0.39 -0.04 -0.01 0.00 -2.33 0.00 0.00 43.42 41.44 2isa n LEU 475 CO 0.40 0.34 -0.02 0.61 -1.33 0.00 0.00 177.39 177.39 2isa n GLY 476 N 1.21 0.53 3.78 -0.72 0.00 -0.32 -5.02 105.19 104.65 2isa n GLY 476 Ca 0.18 -0.30 -0.34 0.00 0.00 0.00 0.00 46.02 45.56 2isa n GLY 476 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2isa s PHE 477 N -1.91 2.77 0.17 1.61 0.40 -0.67 -5.01 117.98 115.34 2isa s PHE 477 Ca 0.00 1.54 -0.24 0.00 -0.60 0.00 0.00 56.93 57.63 2isa s PHE 477 Cb 0.00 -3.16 -0.08 0.00 0.51 0.00 0.00 43.02 40.29 2isa s PHE 477 CO 0.00 -1.41 0.76 0.34 0.70 0.00 0.00 175.22 175.61 2isa s ASP 478 N -2.28 7.34 0.46 1.36 -1.08 -1.26 -4.60 116.67 116.61 2isa s ASP 478 Ca 0.68 1.61 0.18 0.00 -0.52 0.00 0.00 52.55 54.50 2isa s ASP 478 Cb -0.20 -2.48 1.16 0.00 -1.46 0.00 0.00 42.92 39.93 2isa s ASP 478 CO 0.33 0.20 1.96 -0.29 0.52 0.00 0.00 175.17 177.89 2isa h ILE 479 N 3.28 0.80 0.00 4.11 2.10 -1.96 -0.59 117.51 125.26 2isa h ILE 479 Ca -0.47 -0.10 -0.00 0.00 1.08 0.00 0.00 64.86 65.37 2isa h ILE 479 Cb 1.21 0.50 -0.00 0.00 -1.09 0.00 0.00 36.82 37.43 2isa h ILE 479 CO 0.66 0.05 -0.02 0.77 -1.08 0.00 0.00 178.15 178.53 2isa h SER 480 N 0.28 0.00 0.95 2.19 4.64 -1.98 -1.92 113.55 117.71 2isa h SER 480 Ca 0.31 0.00 -0.08 0.00 -0.47 0.00 0.00 61.79 61.55 2isa h SER 480 Cb 0.82 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.90 2isa h SER 480 CO -0.07 0.02 -0.37 -0.33 -0.87 0.00 0.00 176.83 175.21 2isa h GLU 481 N 0.00 0.00 0.00 4.77 5.08 -1.50 -3.37 114.58 119.56 2isa h GLU 481 Ca -0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 2isa h GLU 481 Cb 0.16 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.41 2isa h GLU 481 CO 0.00 0.37 0.00 2.48 -1.00 0.00 0.00 179.01 180.86 2isa n TYR 482 N -3.46 0.00 1.09 4.33 0.18 -0.90 -4.84 117.16 113.56 2isa n TYR 482 Ca 0.00 -0.15 0.12 0.00 1.88 0.00 0.00 57.90 59.75 2isa n TYR 482 Cb 0.53 -0.02 0.33 0.00 -0.38 0.00 0.00 39.34 39.80 2isa n TYR 482 CO 0.00 0.00 0.00 0.27 -2.08 0.00 0.00 176.86 175.05 2isa n ASN 483 N -0.15 2.23 0.00 9.48 6.94 -0.77 -4.59 115.26 128.40 2isa n ASN 483 Ca 0.00 -1.76 0.00 0.00 -0.02 0.00 0.00 54.58 52.80 2isa n ASN 483 Cb 0.32 -0.08 0.00 0.00 -2.36 0.00 0.00 39.78 37.67 2isa n ASN 483 CO 0.00 0.00 0.00 -1.54 -1.03 0.00 0.00 177.26 174.69