#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 0.74 -2.25 -1.46 5.02 -1.26 -5.05 118.16 113.91 2isa n LYS 4 Ca 0.00 -1.21 -0.42 0.00 -2.02 0.00 0.00 58.31 54.66 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 -1.03 4.32 0.16 1.97 1.02 -1.26 -4.98 119.74 119.93 2isa s LYS 5 Ca 0.14 1.96 -0.30 0.00 0.02 0.00 0.00 55.97 57.79 2isa s LYS 5 Cb 0.10 -3.44 -0.07 0.00 -0.52 0.00 0.00 37.83 33.90 2isa s LYS 5 CO 0.16 -0.48 1.08 -1.17 -0.92 0.00 0.00 175.35 174.02 2isa s LEU 6 N 1.80 4.48 0.26 3.17 2.96 -1.26 -5.02 118.68 125.07 2isa s LEU 6 Ca 0.63 2.03 0.04 0.00 -0.22 0.00 0.00 54.13 56.61 2isa s LEU 6 Cb -0.32 -3.60 -0.06 0.00 0.50 0.00 0.00 46.19 42.71 2isa s LEU 6 CO 0.28 -0.22 0.01 0.42 -1.32 0.00 0.00 176.35 175.52 2isa s THR 7 N -0.09 1.11 1.03 3.68 -4.23 -1.26 -1.75 115.64 114.14 2isa s THR 7 Ca 0.50 -2.03 -0.15 0.00 -1.18 0.00 0.00 61.69 58.82 2isa s THR 7 Cb -0.28 -2.48 0.21 0.00 1.34 0.00 0.00 72.50 71.28 2isa s THR 7 CO 0.34 -0.22 1.15 0.42 -0.54 0.00 0.00 174.62 175.77 2isa s THR 8 N -3.37 1.87 0.48 3.99 -4.23 0.52 -4.80 115.64 110.11 2isa s THR 8 Ca 0.31 0.00 0.25 0.00 -1.18 0.00 0.00 61.69 61.07 2isa s THR 8 Cb 0.06 -2.67 0.29 0.00 1.34 0.00 0.00 72.50 71.53 2isa s THR 8 CO 0.11 0.00 2.12 0.00 -0.54 0.00 0.00 174.62 176.31 2isa h ALA 9 N -1.95 1.47 -0.04 3.99 0.00 -2.00 -1.57 119.26 119.15 2isa h ALA 9 Ca -0.48 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.35 2isa h ALA 9 Cb 1.30 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.08 2isa h ALA 9 CO 0.48 0.11 0.00 0.00 0.00 0.00 0.00 179.25 179.84 2isa n ALA 10 N -2.35 2.59 -0.45 0.00 0.00 -1.26 -4.93 120.51 114.11 2isa n ALA 10 Ca -0.02 -0.39 0.00 0.00 0.00 0.00 0.00 53.44 53.03 2isa n ALA 10 Cb 0.18 -1.23 0.00 0.00 0.00 0.00 0.00 19.45 18.40 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 1.11 0.76 3.73 0.00 0.00 -0.59 -5.06 105.19 105.14 2isa n GLY 11 Ca 0.19 -0.10 -0.41 0.00 0.00 0.00 0.00 46.02 45.71 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 2.89 2.02 -3.43 0.00 -0.02 -1.26 -0.35 135.00 134.84 2isa n PRO 13 Ca 0.01 0.71 -0.39 0.00 -2.02 0.00 0.00 63.50 61.81 2isa n PRO 13 Cb 0.50 -2.31 -0.10 0.00 -0.02 0.00 0.00 33.50 31.57 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 -0.63 5.20 -0.01 -1.45 1.01 -0.71 -4.78 120.40 119.03 2isa s VAL 14 Ca 0.61 0.35 0.09 0.00 0.00 0.00 0.00 61.98 63.03 2isa s VAL 14 Cb -0.62 -3.70 -0.23 0.00 0.00 0.00 0.00 36.38 31.83 2isa s VAL 14 CO 0.56 0.11 0.80 0.00 0.00 0.00 0.00 175.10 176.57 2isa h ALA 15 N 8.29 0.62 -3.37 5.51 0.00 -1.93 -3.46 119.26 124.92 2isa h ALA 15 Ca -0.32 -1.31 -0.58 0.00 0.00 0.00 0.00 54.91 52.71 2isa h ALA 15 Cb 1.16 0.34 -0.39 0.00 0.00 0.00 0.00 17.79 18.90 2isa h ALA 15 CO 0.64 1.46 -0.77 -1.01 0.00 0.00 0.00 179.25 179.57 2isa s HIS 16 N -2.62 1.83 -0.29 0.00 3.76 -1.26 -4.96 115.29 111.75 2isa s HIS 16 Ca -0.05 -1.55 0.03 0.00 -0.15 0.00 0.00 55.06 53.34 2isa s HIS 16 Cb 0.08 -1.54 0.09 0.00 1.11 0.00 0.00 32.58 32.32 2isa s HIS 16 CO 0.82 -0.77 1.04 -1.71 -0.85 0.00 0.00 174.74 173.27 2isa n ASN 17 N 4.82 2.21 -0.02 1.40 5.15 -1.26 -4.73 115.26 122.82 2isa n ASN 17 Ca -0.07 -1.93 -0.03 0.00 -0.60 0.00 0.00 54.58 51.95 2isa n ASN 17 Cb 0.44 -0.07 -0.03 0.00 -0.53 0.00 0.00 39.78 39.60 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 -0.16 1.85 -4.45 1.20 1.13 -1.26 -5.03 117.38 110.66 2isa n GLN 18 Ca 0.03 0.01 -0.24 0.00 -1.94 0.00 0.00 57.00 54.87 2isa n GLN 18 Cb 0.29 -1.11 -0.17 0.00 0.11 0.00 0.00 30.24 29.36 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 -3.99 1.65 0.73 1.08 0.01 -1.26 -5.15 114.94 108.02 2isa s ASN 19 Ca -0.05 -0.27 -0.12 0.00 -0.71 0.00 0.00 52.86 51.72 2isa s ASN 19 Cb 0.02 -0.76 0.03 0.00 0.41 0.00 0.00 41.25 40.95 2isa s ASN 19 CO 0.15 0.00 1.09 0.68 -1.51 0.00 0.00 177.10 177.51 2isa s VAL 20 N 0.80 3.49 0.00 1.60 -7.23 -1.26 -4.96 120.40 112.84 2isa s VAL 20 Ca -0.12 0.53 -0.30 0.00 -1.81 0.00 0.00 61.98 60.27 2isa s VAL 20 Cb -0.15 -3.07 -0.03 0.00 0.56 0.00 0.00 36.38 33.68 2isa s VAL 20 CO 0.02 -0.59 0.99 -1.58 -0.31 0.00 0.00 175.10 173.63 2isa s GLN 21 N -4.75 4.55 0.13 4.82 0.74 -1.26 -5.02 119.66 118.87 2isa s GLN 21 Ca 0.62 1.44 0.03 0.00 0.05 0.00 0.00 55.36 57.49 2isa s GLN 21 Cb -0.17 -3.45 -0.04 0.00 1.10 0.00 0.00 33.01 30.44 2isa s GLN 21 CO 0.52 -0.06 -0.07 0.95 -0.55 0.00 0.00 175.29 176.08 2isa s THR 22 N 1.01 0.91 -1.31 -0.34 -4.23 -1.26 -1.04 115.64 109.38 2isa s THR 22 Ca 0.52 -2.00 -0.16 0.00 -1.18 0.00 0.00 61.69 58.88 2isa s THR 22 Cb -0.21 -1.81 0.09 0.00 1.34 0.00 0.00 72.50 71.91 2isa s THR 22 CO 0.28 -0.77 1.76 0.00 -0.54 0.00 0.00 174.62 175.35 2isa n ALA 23 N -0.14 4.01 0.00 3.99 0.00 -0.49 -4.80 120.51 123.09 2isa n ALA 23 Ca -0.11 -3.96 0.00 0.00 0.00 0.00 0.00 53.44 49.38 2isa n ALA 23 Cb 0.61 -3.46 0.00 0.00 0.00 0.00 0.00 19.45 16.60 2isa n ALA 23 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2isa n GLY 24 N 4.81 -0.39 0.33 0.00 0.00 -1.26 -3.51 105.19 105.17 2isa n GLY 24 Ca 0.47 -1.66 0.25 0.00 0.00 0.00 0.00 46.02 45.07 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 0.23 -0.07 1.61 1.57 -2.00 -2.13 116.57 115.78 2isa h LYS 25 Ca 0.00 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.77 2isa h LYS 25 Cb 0.00 -0.05 0.00 0.00 0.08 0.00 0.00 32.23 32.26 2isa h LYS 25 CO 0.00 0.16 0.00 0.54 -0.57 0.00 0.00 179.45 179.58 2isa n ARG 26 N -5.12 1.95 -2.51 3.15 5.12 -1.26 -5.05 116.66 112.95 2isa n ARG 26 Ca 0.32 -2.47 -0.23 0.00 -1.93 0.00 0.00 57.85 53.55 2isa n ARG 26 Cb 1.02 -1.50 0.05 0.00 -1.16 0.00 0.00 32.46 30.87 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 -2.33 1.79 0.88 -0.13 0.00 -0.80 -5.06 107.32 101.66 2isa s GLY 27 Ca 0.30 -1.23 -0.11 0.00 0.00 0.00 0.00 44.72 43.67 2isa s GLY 27 CO 0.05 -0.90 1.09 -4.14 0.00 0.00 0.00 173.10 169.20 2isa s PRO 28 N -4.92 1.40 0.38 2.90 0.02 -1.26 -4.37 135.00 129.14 2isa s PRO 28 Ca 0.59 0.84 -0.24 0.00 0.02 0.00 0.00 61.00 62.20 2isa s PRO 28 Cb -0.10 -1.82 -0.10 0.00 0.02 0.00 0.00 34.50 32.50 2isa s PRO 28 CO 0.40 -2.15 1.00 -1.14 -0.33 0.00 0.00 177.00 174.79 2isa s GLN 29 N -4.95 4.29 -0.05 5.54 0.74 -1.26 -1.39 119.66 122.58 2isa s GLN 29 Ca 0.63 1.40 -0.14 0.00 0.05 0.00 0.00 55.36 57.30 2isa s GLN 29 Cb -0.18 -2.56 -0.05 0.00 1.10 0.00 0.00 33.01 31.33 2isa s GLN 29 CO 0.57 -0.01 0.37 -0.51 -0.55 0.00 0.00 175.29 175.16 2isa s LEU 30 N -2.56 4.40 0.49 3.68 1.43 -0.21 -4.88 118.68 121.04 2isa s LEU 30 Ca 0.56 0.82 0.16 0.00 -1.03 0.00 0.00 54.13 54.65 2isa s LEU 30 Cb -0.19 -2.51 1.20 0.00 0.03 0.00 0.00 46.19 44.72 2isa s LEU 30 CO 0.24 0.26 2.08 0.25 0.23 0.00 0.00 176.35 179.41 2isa h LEU 31 N 5.30 0.13 0.00 1.79 5.85 -1.96 -2.87 115.31 123.55 2isa h LEU 31 Ca -0.49 -0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.23 2isa h LEU 31 Cb 1.21 -0.03 0.00 0.00 0.37 0.00 0.00 40.66 42.21 2isa h LEU 31 CO 0.65 0.09 0.00 0.00 -0.34 0.00 0.00 178.44 178.84 2isa n GLN 32 N -4.48 0.84 -2.51 1.25 10.64 -1.26 -4.28 117.38 117.57 2isa n GLN 32 Ca 0.03 0.00 -0.40 0.00 -1.83 0.00 0.00 57.00 54.80 2isa n GLN 32 Cb 0.24 -1.17 -0.02 0.00 -0.86 0.00 0.00 30.24 28.42 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 -1.45 6.44 0.25 2.61 -1.08 -1.08 -4.79 116.67 117.56 2isa s ASP 33 Ca 0.14 -1.66 0.14 0.00 -0.52 0.00 0.00 52.55 50.65 2isa s ASP 33 Cb 0.06 -2.57 0.02 0.00 -1.46 0.00 0.00 42.92 38.98 2isa s ASP 33 CO 0.11 -1.57 1.41 -0.37 0.52 0.00 0.00 175.17 175.27 2isa h VAL 34 N 6.50 0.96 -0.53 1.11 -1.51 -1.90 -2.88 116.25 117.99 2isa h VAL 34 Ca 0.26 -2.36 -0.04 0.00 -1.23 0.00 0.00 66.70 63.32 2isa h VAL 34 Cb 0.97 2.47 -0.02 0.00 -2.13 0.00 0.00 31.29 32.58 2isa h VAL 34 CO 1.41 0.55 0.16 -0.25 -1.23 0.00 0.00 177.57 178.21 2isa h TRP 35 N 0.00 0.86 -0.23 5.19 -0.00 -1.95 0.67 115.95 120.48 2isa h TRP 35 Ca -0.01 -0.09 0.04 0.00 -0.00 0.00 0.00 58.89 58.83 2isa h TRP 35 Cb 1.44 -0.25 -0.04 0.00 -0.00 0.00 0.00 29.16 30.31 2isa h TRP 35 CO 0.00 0.74 -0.04 0.35 -0.00 0.00 0.00 178.44 179.49 2isa h PHE 36 N 0.73 -0.08 -0.27 2.65 3.57 -1.89 0.11 116.94 121.76 2isa h PHE 36 Ca 0.17 0.02 0.02 0.00 3.53 0.00 0.00 57.97 61.71 2isa h PHE 36 Cb 0.29 0.07 -0.02 0.00 2.79 0.00 0.00 35.95 39.07 2isa h PHE 36 CO 0.02 -0.08 0.11 -0.07 -2.23 0.00 0.00 178.31 176.07 2isa h LEU 37 N 0.03 0.16 0.27 0.59 3.38 -1.29 -1.50 115.31 116.95 2isa h LEU 37 Ca 0.11 0.02 -0.01 0.00 0.09 0.00 0.00 57.88 58.09 2isa h LEU 37 Cb 0.16 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 40.91 2isa h LEU 37 CO -0.22 0.12 -0.13 -0.08 0.09 0.00 0.00 178.44 178.23 2isa h GLU 38 N 0.25 -0.35 -0.51 1.13 4.81 -0.69 -0.87 114.58 118.35 2isa h GLU 38 Ca 0.11 0.02 0.07 0.00 -0.13 0.00 0.00 59.36 59.44 2isa h GLU 38 Cb 0.06 0.08 -0.06 0.00 0.63 0.00 0.00 28.75 29.46 2isa h GLU 38 CO -0.09 -0.16 0.18 -0.22 -0.73 0.00 0.00 179.01 177.98 2isa h LYS 39 N -0.45 0.34 -0.06 1.92 3.64 -0.73 -1.85 116.57 119.37 2isa h LYS 39 Ca -0.04 -0.02 -0.17 0.00 -1.27 0.00 0.00 60.65 59.15 2isa h LYS 39 Cb 0.34 -0.08 -0.01 0.00 -0.41 0.00 0.00 32.23 32.08 2isa h LYS 39 CO 0.06 0.23 -0.70 -0.07 -2.27 0.00 0.00 179.45 176.69 2isa h LEU 40 N 0.35 0.36 -1.14 5.20 -0.00 -1.27 -2.04 115.31 116.77 2isa h LEU 40 Ca 0.25 -0.23 -0.08 0.00 -0.00 0.00 0.00 57.88 57.81 2isa h LEU 40 Cb 0.27 -0.11 -0.01 0.00 -0.00 0.00 0.00 40.66 40.81 2isa h LEU 40 CO -0.25 0.95 -0.24 0.00 -0.00 0.00 0.00 178.44 178.90 2isa h ALA 41 N 1.04 1.28 0.13 1.53 0.00 -0.83 0.16 119.26 122.58 2isa h ALA 41 Ca -0.02 -0.30 -0.30 0.00 0.00 0.00 0.00 54.91 54.29 2isa h ALA 41 Cb 1.26 -0.10 0.03 0.00 0.00 0.00 0.00 17.79 18.98 2isa h ALA 41 CO 0.11 0.48 -1.24 0.45 0.00 0.00 0.00 179.25 179.05 2isa h HIS 42 N 0.28 1.01 -0.59 0.00 3.86 -1.34 -3.20 115.15 115.17 2isa h HIS 42 Ca 0.05 -0.64 0.08 0.00 -1.16 0.00 0.00 60.37 58.70 2isa h HIS 42 Cb 0.57 -0.08 -0.06 0.00 1.06 0.00 0.00 27.41 28.90 2isa h HIS 42 CO 0.01 1.48 0.24 0.35 0.86 0.00 0.00 177.93 180.87 2isa h PHE 43 N 0.25 0.43 0.00 2.45 3.57 -1.14 -2.10 116.94 120.39 2isa h PHE 43 Ca -0.19 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.34 2isa h PHE 43 Cb 1.92 -0.10 0.00 0.00 2.79 0.00 0.00 35.95 40.56 2isa h PHE 43 CO 0.12 0.14 0.00 -0.25 -2.23 0.00 0.00 178.31 176.09 2isa n ASP 44 N -4.96 0.46 -0.21 0.41 8.00 0.53 -2.77 116.55 118.02 2isa n ASP 44 Ca 0.08 0.67 0.08 0.00 0.71 0.00 0.00 54.79 56.32 2isa n ASP 44 Cb 0.24 -0.74 0.14 0.00 -0.02 0.00 0.00 41.12 40.73 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 -2.06 1.87 0.15 -1.24 1.74 -0.80 -4.74 116.66 111.59 2isa n ARG 45 Ca 0.00 -2.43 0.02 0.00 -0.77 0.00 0.00 57.85 54.68 2isa n ARG 45 Cb 0.11 -1.46 0.39 0.00 -1.02 0.00 0.00 32.46 30.47 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 0.35 0.13 -6.02 5.56 5.08 -1.39 -3.44 114.58 114.86 2isa h GLU 46 Ca 0.00 -0.04 -0.59 0.00 -1.00 0.00 0.00 59.36 57.74 2isa h GLU 46 Cb 0.98 -0.01 -0.06 0.00 0.50 0.00 0.00 28.75 30.16 2isa h GLU 46 CO 0.03 0.36 -0.12 0.08 -1.00 0.00 0.00 179.01 178.37 2isa s VAL 47 N -4.52 4.97 0.33 3.13 1.01 -1.26 -5.09 120.40 118.98 2isa s VAL 47 Ca -0.04 1.01 0.09 0.00 0.00 0.00 0.00 61.98 63.04 2isa s VAL 47 Cb 0.15 -3.81 -0.05 0.00 0.00 0.00 0.00 36.38 32.66 2isa s VAL 47 CO 0.73 0.50 -0.02 0.27 0.00 0.00 0.00 175.10 176.57 2isa s ILE 48 N -0.60 2.62 0.30 2.22 -4.36 -1.26 -5.10 121.20 115.01 2isa s ILE 48 Ca 0.26 -2.04 -0.30 0.00 -0.26 0.00 0.00 60.65 58.32 2isa s ILE 48 Cb -0.17 -2.74 -0.12 0.00 1.25 0.00 0.00 42.46 40.68 2isa s ILE 48 CO 0.15 -0.23 1.43 -2.65 0.24 0.00 0.00 174.94 173.87 2isa n PRO 49 N -0.90 2.30 -0.95 0.37 -0.02 -1.26 -5.00 135.00 129.54 2isa n PRO 49 Ca -0.05 0.81 -0.29 0.00 -2.02 0.00 0.00 63.50 61.95 2isa n PRO 49 Cb 0.62 -2.48 0.18 0.00 -0.02 0.00 0.00 33.50 31.79 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 -1.08 0.57 0.41 -0.52 -1.05 -1.26 -4.96 118.70 110.81 2isa s GLU 50 Ca 0.62 0.92 -0.26 0.00 -0.15 0.00 0.00 54.97 56.09 2isa s GLU 50 Cb -0.57 -1.72 -0.09 0.00 -0.44 0.00 0.00 34.13 31.31 2isa s GLU 50 CO 0.55 -2.74 1.35 1.03 0.95 0.00 0.00 175.26 176.39 2isa s ARG 51 N -4.77 3.92 0.00 -4.83 0.52 -1.26 -5.04 118.95 107.48 2isa s ARG 51 Ca 0.65 2.25 0.00 0.00 -0.52 0.00 0.00 55.73 58.11 2isa s ARG 51 Cb -0.21 -2.75 0.00 0.00 0.52 0.00 0.00 34.95 32.51 2isa s ARG 51 CO 0.59 -0.57 0.49 -2.13 0.02 0.00 0.00 175.30 173.70 2isa n ARG 52 N 0.09 0.53 -1.29 3.54 3.00 -1.26 -4.18 116.66 117.09 2isa n ARG 52 Ca 0.04 0.00 -0.00 0.00 -0.00 0.00 0.00 57.85 57.88 2isa n ARG 52 Cb 0.43 -1.04 -0.00 0.00 0.00 0.00 0.00 32.46 31.84 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 -0.38 -0.02 0.23 -0.14 8.25 -0.71 -5.06 115.22 117.38 2isa n HIS 54 Ca 0.00 0.01 0.06 0.00 -0.26 0.00 0.00 57.72 57.53 2isa n HIS 54 Cb 0.02 -0.02 0.56 0.00 1.12 0.00 0.00 29.99 31.67 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 1.98 1.83 -2.74 -1.41 0.00 -1.73 -3.41 119.26 113.79 2isa h ALA 55 Ca -0.01 -0.09 -0.64 0.00 0.00 0.00 0.00 54.91 54.18 2isa h ALA 55 Cb 0.02 -0.02 -0.16 0.00 0.00 0.00 0.00 17.79 17.63 2isa h ALA 55 CO 0.01 0.13 -0.30 0.21 0.00 0.00 0.00 179.25 179.29 2isa s LYS 56 N -4.87 3.93 0.20 0.00 2.47 -1.24 -4.45 119.74 115.78 2isa s LYS 56 Ca -0.05 -0.11 -0.17 0.00 -1.56 0.00 0.00 55.97 54.08 2isa s LYS 56 Cb 0.16 -3.68 0.06 0.00 -1.46 0.00 0.00 37.83 32.91 2isa s LYS 56 CO 0.69 -0.30 0.84 0.41 0.16 0.00 0.00 175.35 177.15 2isa n GLY 57 N 4.81 0.80 3.14 5.54 0.00 -1.26 -1.85 105.19 116.37 2isa n GLY 57 Ca -0.10 -1.14 -0.12 0.00 0.00 0.00 0.00 46.02 44.66 2isa n GLY 57 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2isa s SER 58 N -3.03 -0.14 0.12 1.61 0.01 0.63 -4.97 113.70 107.94 2isa s SER 58 Ca 0.18 0.16 0.00 0.00 1.31 0.00 0.00 55.95 57.61 2isa s SER 58 Cb -0.03 0.35 -0.04 0.00 0.21 0.00 0.00 66.02 66.51 2isa s SER 58 CO 0.06 -0.26 0.01 -0.83 0.41 0.00 0.00 173.24 172.63 2isa s GLY 59 N -0.70 0.93 0.10 3.44 0.00 -1.26 -0.17 107.32 109.66 2isa s GLY 59 Ca -0.08 -1.44 -0.25 0.00 0.00 0.00 0.00 44.72 42.95 2isa s GLY 59 CO 0.02 -1.42 0.64 0.00 0.00 0.00 0.00 173.10 172.34 2isa s ALA 60 N -3.85 -1.66 0.27 3.20 0.00 -0.23 -4.54 121.76 114.95 2isa s ALA 60 Ca 0.19 0.73 -0.03 0.00 0.00 0.00 0.00 51.96 52.86 2isa s ALA 60 Cb 0.07 0.63 -0.05 0.00 0.00 0.00 0.00 23.12 23.77 2isa s ALA 60 CO -0.01 -0.66 0.50 0.71 0.00 0.00 0.00 175.76 176.30 2isa s TYR 61 N -3.07 3.48 0.00 0.00 1.51 -0.01 -0.79 117.35 118.47 2isa s TYR 61 Ca -0.02 0.50 0.00 0.00 -1.01 0.00 0.00 57.07 56.54 2isa s TYR 61 Cb -0.01 -1.99 0.00 0.00 -0.11 0.00 0.00 41.96 39.85 2isa s TYR 61 CO -0.07 0.23 0.00 0.41 -1.11 0.00 0.00 175.55 175.00 2isa n GLY 62 N -1.00 2.07 2.78 0.71 0.00 -0.50 -0.75 105.19 108.51 2isa n GLY 62 Ca -0.03 -0.79 -0.16 0.00 0.00 0.00 0.00 46.02 45.04 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 -2.71 -0.09 -0.11 2.61 2.01 -0.51 -1.61 115.64 115.23 2isa s THR 63 Ca 0.00 0.28 -0.13 0.00 0.31 0.00 0.00 61.69 62.15 2isa s THR 63 Cb 0.00 -0.16 -0.05 0.00 0.01 0.00 0.00 72.50 72.31 2isa s THR 63 CO 0.00 0.12 0.31 0.12 -0.69 0.00 0.00 174.62 174.48 2isa s PHE 64 N 1.51 3.56 -0.07 4.92 5.36 -0.11 -1.78 117.98 131.36 2isa s PHE 64 Ca -0.04 0.71 0.04 0.00 -0.96 0.00 0.00 56.93 56.68 2isa s PHE 64 Cb -0.12 -2.27 0.00 0.00 -0.34 0.00 0.00 43.02 40.28 2isa s PHE 64 CO -0.04 0.42 -0.19 0.99 -1.46 0.00 0.00 175.22 174.94 2isa s THR 65 N -0.18 1.66 0.14 0.12 2.01 0.09 -0.65 115.64 118.83 2isa s THR 65 Ca 0.19 -0.81 -0.30 0.00 0.31 0.00 0.00 61.69 61.08 2isa s THR 65 Cb -0.14 -1.44 -0.07 0.00 0.01 0.00 0.00 72.50 70.86 2isa s THR 65 CO 0.07 0.47 1.18 -0.69 -0.69 0.00 0.00 174.62 174.96 2isa s VAL 66 N 0.30 3.79 -0.00 3.82 1.01 -0.80 -1.81 120.40 126.70 2isa s VAL 66 Ca -0.12 1.43 0.01 0.00 0.00 0.00 0.00 61.98 63.29 2isa s VAL 66 Cb -0.15 -3.92 -0.01 0.00 0.00 0.00 0.00 36.38 32.30 2isa s VAL 66 CO 0.05 0.19 0.01 0.35 0.00 0.00 0.00 175.10 175.71 2isa n THR 67 N 2.96 0.01 -4.26 3.92 -2.24 -0.01 0.21 114.28 114.87 2isa n THR 67 Ca 0.06 -0.02 -0.14 0.00 -2.27 0.00 0.00 64.05 61.68 2isa n THR 67 Cb 0.46 0.27 -0.10 0.00 -2.10 0.00 0.00 70.33 68.85 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 -2.04 1.27 -0.40 4.78 3.76 -0.55 -4.90 115.29 117.21 2isa s HIS 68 Ca -0.00 -0.92 -0.15 0.00 -0.15 0.00 0.00 55.06 53.84 2isa s HIS 68 Cb 0.00 -0.71 0.02 0.00 1.11 0.00 0.00 32.58 33.00 2isa s HIS 68 CO 0.03 -0.09 0.29 0.34 -0.85 0.00 0.00 174.74 174.46 2isa s ASP 69 N -3.19 6.10 -0.15 1.40 -1.08 -1.26 -4.80 116.67 113.68 2isa s ASP 69 Ca 0.22 -0.87 0.18 0.00 -0.52 0.00 0.00 52.55 51.55 2isa s ASP 69 Cb 0.05 -2.15 0.38 0.00 -1.46 0.00 0.00 42.92 39.73 2isa s ASP 69 CO 0.03 -0.44 1.25 2.30 0.52 0.00 0.00 175.17 178.84 2isa n ILE 70 N 5.15 2.05 0.29 4.11 -5.35 -1.26 -4.81 119.36 119.54 2isa n ILE 70 Ca -0.11 -2.22 0.11 0.00 -0.27 0.00 0.00 62.75 60.26 2isa n ILE 70 Cb 0.47 -0.25 0.49 0.00 -1.74 0.00 0.00 39.64 38.61 2isa n ILE 70 CO 0.00 0.00 0.00 0.35 -1.76 0.00 0.00 176.55 175.14 2isa n THR 71 N -1.13 0.98 0.21 7.28 -2.24 -1.26 -1.30 114.28 116.83 2isa n THR 71 Ca 0.18 0.44 0.06 0.00 -2.27 0.00 0.00 64.05 62.46 2isa n THR 71 Cb 0.73 -1.39 0.48 0.00 -2.10 0.00 0.00 70.33 68.06 2isa n THR 71 CO 0.00 0.00 0.00 0.50 -0.57 0.00 0.00 175.07 175.00 2isa h LYS 72 N 0.00 0.00 0.00 -0.78 3.64 -1.99 -3.30 116.57 114.14 2isa h LYS 72 Ca 0.00 0.00 -0.22 0.00 -1.27 0.00 0.00 60.65 59.16 2isa h LYS 72 Cb 0.20 0.00 -0.04 0.00 -0.41 0.00 0.00 32.23 31.98 2isa h LYS 72 CO 0.00 0.26 -2.23 0.66 -2.27 0.00 0.00 179.45 175.87 2isa n TYR 73 N -3.97 0.00 -3.80 1.91 4.01 -0.42 -4.77 117.16 110.12 2isa n TYR 73 Ca -0.02 0.00 -0.13 0.00 -0.16 0.00 0.00 57.90 57.59 2isa n TYR 73 Cb 0.34 -0.80 -0.14 0.00 -0.31 0.00 0.00 39.34 38.42 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 -2.89 -0.03 -2.13 -0.72 -1.32 -1.11 -3.03 115.64 104.41 2isa s THR 74 Ca -0.09 0.11 0.16 0.00 -1.21 0.00 0.00 61.69 60.66 2isa s THR 74 Cb 0.09 -0.13 0.39 0.00 -1.51 0.00 0.00 72.50 71.34 2isa s THR 74 CO 0.86 0.04 1.40 2.29 -2.21 0.00 0.00 174.62 177.00 2isa n LYS 75 N 3.67 1.83 -1.68 7.08 2.85 -0.43 -4.39 118.16 127.10 2isa n LYS 75 Ca -0.20 -1.28 -0.45 0.00 -1.05 0.00 0.00 58.31 55.33 2isa n LYS 75 Cb 0.55 -1.34 -0.04 0.00 -0.65 0.00 0.00 35.03 33.55 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 1.70 0.23 0.58 0.00 -1.20 -4.77 120.51 117.56 2isa n ALA 76 Ca 0.14 0.38 0.06 0.00 0.00 0.00 0.00 53.44 54.03 2isa n ALA 76 Cb 0.33 -2.46 0.53 0.00 0.00 0.00 0.00 19.45 17.86 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 7.23 0.00 -0.75 0.00 1.79 -1.93 -1.92 116.57 120.99 2isa h LYS 77 Ca -0.46 0.00 0.12 0.00 -2.18 0.00 0.00 60.65 58.13 2isa h LYS 77 Cb 1.24 0.00 -0.05 0.00 -1.58 0.00 0.00 32.23 31.84 2isa h LYS 77 CO 0.92 0.17 0.50 0.97 -1.08 0.00 0.00 179.45 180.92 2isa h ILE 78 N 0.00 0.87 -0.73 1.86 2.10 -1.93 -2.65 117.51 117.03 2isa h ILE 78 Ca -0.00 -0.19 0.00 0.00 1.08 0.00 0.00 64.86 65.75 2isa h ILE 78 Cb 0.30 0.27 0.00 0.00 -1.09 0.00 0.00 36.82 36.30 2isa h ILE 78 CO 0.02 0.10 0.00 0.49 -1.08 0.00 0.00 178.15 177.68 2isa n PHE 79 N -4.50 0.97 0.15 2.19 3.72 -0.73 -4.73 117.46 114.53 2isa n PHE 79 Ca 0.13 -0.48 -0.00 0.00 -0.05 0.00 0.00 57.45 57.05 2isa n PHE 79 Cb 0.42 0.00 0.23 0.00 -0.94 0.00 0.00 39.48 39.19 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 4.38 0.02 -3.86 4.37 4.64 -1.43 -3.43 113.55 118.25 2isa h SER 80 Ca 0.00 -0.01 -0.20 0.00 -0.47 0.00 0.00 61.79 61.10 2isa h SER 80 Cb 1.00 -0.01 -0.27 0.00 -0.31 0.00 0.00 62.40 62.82 2isa h SER 80 CO 0.00 0.55 -0.61 -1.81 -0.87 0.00 0.00 176.83 174.09 2isa s ASP 81 N -6.88 -0.07 0.29 4.97 1.01 -1.26 -4.97 116.67 109.75 2isa s ASP 81 Ca -0.02 0.13 -0.30 0.00 0.71 0.00 0.00 52.55 53.08 2isa s ASP 81 Cb 0.13 0.18 -0.11 0.00 1.01 0.00 0.00 42.92 44.13 2isa s ASP 81 CO 0.75 -0.05 1.53 -0.63 0.21 0.00 0.00 175.17 176.98 2isa s ILE 82 N -0.07 2.25 0.00 0.77 1.01 -1.26 -2.21 121.20 121.69 2isa s ILE 82 Ca -0.01 0.22 0.00 0.00 0.00 0.00 0.00 60.65 60.85 2isa s ILE 82 Cb -0.01 -3.14 0.00 0.00 0.01 0.00 0.00 42.46 39.32 2isa s ILE 82 CO 0.00 0.04 0.00 0.61 0.00 0.00 0.00 174.94 175.59 2isa n GLY 83 N 2.00 1.77 3.71 6.18 0.00 0.13 -4.97 105.19 114.01 2isa n GLY 83 Ca 0.07 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.67 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 -0.40 4.19 -0.07 1.61 2.20 -0.94 -4.69 119.74 121.64 2isa s LYS 84 Ca 0.00 2.40 -0.02 0.00 -0.36 0.00 0.00 55.97 57.99 2isa s LYS 84 Cb 0.00 -3.34 -0.04 0.00 -1.51 0.00 0.00 37.83 32.95 2isa s LYS 84 CO 0.00 -0.69 0.04 0.15 -0.36 0.00 0.00 175.35 174.49 2isa s LYS 85 N 1.81 3.06 -0.04 4.03 1.02 -1.26 -1.91 119.74 126.45 2isa s LYS 85 Ca 0.73 -0.38 -0.01 0.00 0.02 0.00 0.00 55.97 56.33 2isa s LYS 85 Cb -0.43 -2.86 0.03 0.00 -0.52 0.00 0.00 37.83 34.04 2isa s LYS 85 CO 0.32 0.70 0.02 0.99 -0.92 0.00 0.00 175.35 176.46 2isa s THR 86 N -0.97 0.16 0.52 2.17 2.01 0.18 -4.98 115.64 114.73 2isa s THR 86 Ca 0.15 0.19 -0.21 0.00 0.31 0.00 0.00 61.69 62.13 2isa s THR 86 Cb -0.12 -0.31 -0.07 0.00 0.01 0.00 0.00 72.50 72.01 2isa s THR 86 CO 0.05 0.19 1.02 0.47 -0.69 0.00 0.00 174.62 175.66 2isa n ASP 87 N 4.74 1.20 -3.90 3.53 9.92 -1.26 -0.94 116.55 129.84 2isa n ASP 87 Ca -0.15 0.92 -0.09 0.00 -0.53 0.00 0.00 54.79 54.95 2isa n ASP 87 Cb 0.50 -1.40 -0.04 0.00 -0.64 0.00 0.00 41.12 39.54 2isa n ASP 87 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 2isa s MET 88 N -2.43 1.52 -0.01 -1.24 0.23 -0.63 -1.48 119.30 115.26 2isa s MET 88 Ca 0.69 -1.09 0.00 0.00 -1.03 0.00 0.00 55.69 54.27 2isa s MET 88 Cb -0.47 0.50 0.01 0.00 -1.53 0.00 0.00 34.83 33.34 2isa s MET 88 CO 0.52 -0.64 0.00 0.12 -2.03 0.00 0.00 175.02 172.99 2isa s PHE 89 N -3.96 0.06 0.00 3.16 5.36 0.03 -1.41 117.98 121.22 2isa s PHE 89 Ca 0.16 0.03 0.07 0.00 -0.96 0.00 0.00 56.93 56.23 2isa s PHE 89 Cb -0.01 -0.10 -0.02 0.00 -0.34 0.00 0.00 43.02 42.54 2isa s PHE 89 CO 0.05 -0.03 -0.22 0.00 -1.46 0.00 0.00 175.22 173.56 2isa s ALA 90 N 0.31 1.82 -0.12 11.12 0.00 0.03 -0.02 121.76 134.90 2isa s ALA 90 Ca -0.03 -0.98 0.02 0.00 0.00 0.00 0.00 51.96 50.97 2isa s ALA 90 Cb -0.04 -0.44 0.01 0.00 0.00 0.00 0.00 23.12 22.66 2isa s ALA 90 CO -0.01 0.44 -0.19 0.50 0.00 0.00 0.00 175.76 176.50 2isa s ARG 91 N -0.70 2.65 0.11 0.00 3.52 0.68 -1.07 118.95 124.16 2isa s ARG 91 Ca 0.08 -0.72 0.04 0.00 -0.13 0.00 0.00 55.73 55.00 2isa s ARG 91 Cb -0.09 -2.18 -0.04 0.00 -1.56 0.00 0.00 34.95 31.09 2isa s ARG 91 CO -0.00 -0.03 0.11 -0.06 -0.81 0.00 0.00 175.30 174.51 2isa s PHE 92 N 0.87 3.19 0.11 5.12 0.40 0.76 -1.12 117.98 127.32 2isa s PHE 92 Ca -0.07 0.05 -0.25 0.00 -0.60 0.00 0.00 56.93 56.05 2isa s PHE 92 Cb -0.15 -1.58 0.08 0.00 0.51 0.00 0.00 43.02 41.87 2isa s PHE 92 CO -0.01 0.52 0.73 -1.54 0.70 0.00 0.00 175.22 175.61 2isa s SER 93 N -2.70 -0.46 0.57 1.36 1.04 -1.09 -0.27 113.70 112.15 2isa s SER 93 Ca 0.30 -0.06 0.00 0.00 0.48 0.00 0.00 55.95 56.67 2isa s SER 93 Cb -0.11 0.53 0.00 0.00 0.10 0.00 0.00 66.02 66.54 2isa s SER 93 CO 0.23 -0.87 0.00 0.35 0.98 0.00 0.00 173.24 173.93 2isa n THR 94 N -0.34 0.00 0.03 2.02 -2.24 -0.77 -0.60 114.28 112.38 2isa n THR 94 Ca -0.13 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.65 2isa n THR 94 Cb 0.63 -1.74 0.00 0.00 -2.10 0.00 0.00 70.33 67.12 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 -1.33 0.67 0.05 2.28 0.31 -1.25 -4.01 118.33 115.04 2isa n VAL 95 Ca 0.00 0.22 -0.14 0.00 -0.01 0.00 0.00 64.34 64.41 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 0.37 -2.78 3.52 0.00 -1.92 -1.90 119.26 116.56 2isa h ALA 96 Ca 0.00 -1.14 -0.55 0.00 0.00 0.00 0.00 54.91 53.22 2isa h ALA 96 Cb 0.41 0.25 0.11 0.00 0.00 0.00 0.00 17.79 18.55 2isa h ALA 96 CO 0.00 1.24 0.70 0.41 0.00 0.00 0.00 179.25 181.60 2isa n GLY 97 N 1.60 1.01 2.98 0.00 0.00 -1.26 -4.90 105.19 104.63 2isa n GLY 97 Ca -0.14 0.33 -0.23 0.00 0.00 0.00 0.00 46.02 45.98 2isa n GLY 97 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2isa n GLU 98 N 0.67 -1.41 -1.87 1.61 4.71 -1.26 -3.63 120.64 119.46 2isa n GLU 98 Ca 0.03 -1.57 -0.41 0.00 -0.01 0.00 0.00 57.16 55.20 2isa n GLU 98 Cb 0.38 -1.13 -0.01 0.00 -1.01 0.00 0.00 31.44 29.66 2isa n GLU 98 CO 0.00 0.00 0.00 0.50 0.09 0.00 0.00 177.13 177.72 2isa s ARG 99 N -5.22 4.17 0.00 3.49 3.52 -1.26 -1.65 118.95 122.00 2isa s ARG 99 Ca 0.59 2.49 0.00 0.00 -0.13 0.00 0.00 55.73 58.67 2isa s ARG 99 Cb -0.02 -3.02 0.00 0.00 -1.56 0.00 0.00 34.95 30.34 2isa s ARG 99 CO 0.42 -0.51 0.00 0.41 -0.81 0.00 0.00 175.30 174.81 2isa n GLY 100 N 1.37 2.84 3.70 8.12 0.00 -1.26 -5.02 105.19 114.94 2isa n GLY 100 Ca 0.04 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.75 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 -2.05 1.67 0.23 4.61 0.00 -0.66 -4.94 121.76 120.62 2isa s ALA 101 Ca 0.00 0.52 -0.31 0.00 0.00 0.00 0.00 51.96 52.16 2isa s ALA 101 Cb 0.00 -3.41 -0.11 0.00 0.00 0.00 0.00 23.12 19.60 2isa s ALA 101 CO 0.00 -2.51 1.66 0.00 0.00 0.00 0.00 175.76 174.91 2isa s ALA 102 N -2.71 3.86 0.21 0.00 0.00 -1.26 -4.86 121.76 117.00 2isa s ALA 102 Ca 0.65 1.55 -0.10 0.00 0.00 0.00 0.00 51.96 54.07 2isa s ALA 102 Cb -0.21 -3.67 0.16 0.00 0.00 0.00 0.00 23.12 19.39 2isa s ALA 102 CO 0.57 -0.92 1.86 -0.44 0.00 0.00 0.00 175.76 176.83 2isa h ASP 103 N 6.16 0.90 -1.27 0.00 3.32 -1.34 -3.34 116.42 120.85 2isa h ASP 103 Ca -0.44 -0.05 -0.65 0.00 0.02 0.00 0.00 57.03 55.91 2isa h ASP 103 Cb 1.21 -0.23 -0.17 0.00 0.22 0.00 0.00 39.33 40.36 2isa h ASP 103 CO 0.90 0.68 1.35 0.00 -1.72 0.00 0.00 179.24 180.45 2isa n ALA 104 N -2.33 6.58 -2.80 3.45 0.00 -1.26 -4.89 120.51 119.26 2isa n ALA 104 Ca 0.07 -3.70 -0.22 0.00 0.00 0.00 0.00 53.44 49.60 2isa n ALA 104 Cb 0.04 -2.41 -0.01 0.00 0.00 0.00 0.00 19.45 17.07 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 -1.86 3.41 -0.37 0.00 2.02 -1.26 -4.77 118.70 115.87 2isa s GLU 105 Ca 0.55 -0.64 -0.29 0.00 0.02 0.00 0.00 54.97 54.61 2isa s GLU 105 Cb 0.29 -2.80 0.01 0.00 0.10 0.00 0.00 34.13 31.73 2isa s GLU 105 CO -0.17 0.28 1.24 0.50 0.02 0.00 0.00 175.26 177.12 2isa s ARG 106 N -4.13 3.83 -0.16 1.61 3.52 -1.26 -4.63 118.95 117.73 2isa s ARG 106 Ca 0.37 0.98 -0.34 0.00 -0.13 0.00 0.00 55.73 56.61 2isa s ARG 106 Cb -0.09 -3.89 0.13 0.00 -1.56 0.00 0.00 34.95 29.54 2isa s ARG 106 CO 0.32 -1.23 1.17 0.34 -0.81 0.00 0.00 175.30 175.08 2isa s ASP 107 N 2.71 -0.17 0.69 -2.12 -1.08 -0.68 -5.02 116.67 111.01 2isa s ASP 107 Ca 0.53 -0.00 -0.16 0.00 -0.52 0.00 0.00 52.55 52.39 2isa s ASP 107 Cb -0.13 0.18 0.02 0.00 -1.46 0.00 0.00 42.92 41.53 2isa s ASP 107 CO 0.26 -0.29 1.24 -0.63 0.52 0.00 0.00 175.17 176.27 2isa s ILE 108 N -2.52 2.18 -0.11 4.11 1.01 -1.26 -4.65 121.20 119.96 2isa s ILE 108 Ca 0.09 0.10 0.01 0.00 0.00 0.00 0.00 60.65 60.85 2isa s ILE 108 Cb -0.01 -2.85 -0.02 0.00 0.01 0.00 0.00 42.46 39.60 2isa s ILE 108 CO -0.05 -0.04 -0.14 -0.13 0.00 0.00 0.00 174.94 174.58 2isa s ARG 109 N -3.65 3.21 0.48 2.79 1.81 -1.26 -3.84 118.95 118.49 2isa s ARG 109 Ca 0.78 -0.70 -0.22 0.00 -1.72 0.00 0.00 55.73 53.87 2isa s ARG 109 Cb -0.33 -2.56 -0.07 0.00 -0.45 0.00 0.00 34.95 31.54 2isa s ARG 109 CO 0.42 0.28 1.13 0.20 -0.68 0.00 0.00 175.30 176.66 2isa s GLY 110 N 0.17 2.70 -0.41 -3.53 0.00 0.24 -0.25 107.32 106.24 2isa s GLY 110 Ca -0.08 0.85 0.05 0.00 0.00 0.00 0.00 44.72 45.54 2isa s GLY 110 CO 0.05 1.26 0.38 0.33 0.00 0.00 0.00 173.10 175.12 2isa n PHE 111 N -0.77 -0.97 -4.12 1.90 -0.00 0.36 -2.66 117.46 111.20 2isa n PHE 111 Ca 0.09 -3.27 -0.35 0.00 -0.00 0.00 0.00 57.45 53.92 2isa n PHE 111 Cb 0.50 0.22 -0.13 0.00 -0.00 0.00 0.00 39.48 40.06 2isa n PHE 111 CO 0.00 0.00 0.00 0.45 -0.00 0.00 0.00 176.76 177.21 2isa s SER 112 N -0.11 4.49 -0.05 -2.13 0.15 -0.27 -1.19 113.70 114.59 2isa s SER 112 Ca 0.33 -0.29 0.06 0.00 0.70 0.00 0.00 55.95 56.74 2isa s SER 112 Cb 0.06 -1.76 -0.01 0.00 -1.71 0.00 0.00 66.02 62.60 2isa s SER 112 CO -0.18 0.05 -0.23 -0.76 1.20 0.00 0.00 173.24 173.32 2isa s LEU 113 N 1.07 2.03 -0.21 3.45 1.43 0.14 -0.23 118.68 126.36 2isa s LEU 113 Ca 0.01 -0.47 -0.01 0.00 -1.03 0.00 0.00 54.13 52.64 2isa s LEU 113 Cb -0.15 -1.26 0.02 0.00 0.03 0.00 0.00 46.19 44.83 2isa s LEU 113 CO 0.00 0.22 -0.13 -0.75 0.23 0.00 0.00 176.35 175.93 2isa s LYS 114 N -0.12 2.98 -0.25 1.70 2.20 0.96 -0.50 119.74 126.71 2isa s LYS 114 Ca -0.03 -0.86 -0.08 0.00 -0.36 0.00 0.00 55.97 54.64 2isa s LYS 114 Cb -0.13 -2.79 -0.03 0.00 -1.51 0.00 0.00 37.83 33.37 2isa s LYS 114 CO 0.03 -0.28 0.08 -0.06 -0.36 0.00 0.00 175.35 174.76 2isa s PHE 115 N 1.32 3.10 -1.28 4.03 0.08 -0.08 -0.79 117.98 124.36 2isa s PHE 115 Ca 0.03 -0.36 -0.14 0.00 0.12 0.00 0.00 56.93 56.58 2isa s PHE 115 Cb -0.15 -2.25 0.13 0.00 -0.57 0.00 0.00 43.02 40.18 2isa s PHE 115 CO -0.08 -0.33 1.70 0.66 -0.10 0.00 0.00 175.22 177.07 2isa n TYR 116 N 4.92 4.28 -2.05 0.36 4.01 -0.55 -0.60 117.16 127.54 2isa n TYR 116 Ca -0.16 -3.06 -0.28 0.00 -0.16 0.00 0.00 57.90 54.24 2isa n TYR 116 Cb 0.51 -2.29 0.12 0.00 -0.31 0.00 0.00 39.34 37.37 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 2.14 2.09 -0.88 -0.72 -4.23 -0.91 -4.49 115.64 108.63 2isa s THR 117 Ca 0.45 -0.13 0.27 0.00 -1.18 0.00 0.00 61.69 61.10 2isa s THR 117 Cb 0.04 -2.96 0.25 0.00 1.34 0.00 0.00 72.50 71.17 2isa s THR 117 CO 0.01 0.00 1.84 -1.84 -0.54 0.00 0.00 174.62 174.09 2isa n GLU 118 N -3.31 0.11 -0.72 3.99 0.28 -1.26 -2.96 120.64 116.76 2isa n GLU 118 Ca 0.11 0.11 0.02 0.00 -0.16 0.00 0.00 57.16 57.24 2isa n GLU 118 Cb 0.60 -1.63 0.20 0.00 1.43 0.00 0.00 31.44 32.04 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 -1.82 1.75 0.00 3.44 1.02 -1.26 -4.71 120.64 119.06 2isa n GLU 119 Ca 0.06 -3.34 0.00 0.00 -0.02 0.00 0.00 57.16 53.86 2isa n GLU 119 Cb 0.36 -1.70 0.00 0.00 -0.02 0.00 0.00 31.44 30.08 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 -1.10 3.13 3.65 0.62 0.00 -1.16 -4.56 105.19 105.78 2isa n GLY 120 Ca 0.23 -1.98 -0.42 0.00 0.00 0.00 0.00 46.02 43.85 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 6.61 -0.39 1.61 0.02 -1.26 -2.15 114.94 119.38 2isa s ASN 121 Ca 0.00 2.05 -0.18 0.00 -1.02 0.00 0.00 52.86 53.71 2isa s ASN 121 Cb 0.00 -2.53 0.01 0.00 0.02 0.00 0.00 41.25 38.75 2isa s ASN 121 CO 0.00 -1.00 0.48 0.86 0.02 0.00 0.00 177.10 177.47 2isa s TRP 122 N 4.30 3.16 -0.25 2.20 -0.00 0.23 -4.34 118.94 124.24 2isa s TRP 122 Ca 0.72 -0.11 -0.14 0.00 -0.00 0.00 0.00 56.10 56.57 2isa s TRP 122 Cb -0.30 -2.94 -0.04 0.00 -0.00 0.00 0.00 33.47 30.18 2isa s TRP 122 CO 0.28 -0.64 0.31 -0.51 -0.00 0.00 0.00 176.95 176.39 2isa s ASP 123 N 1.82 6.23 -0.41 5.86 1.01 0.05 -0.90 116.67 130.32 2isa s ASP 123 Ca 0.16 0.26 0.02 0.00 0.71 0.00 0.00 52.55 53.70 2isa s ASP 123 Cb -0.16 -2.18 0.11 0.00 1.01 0.00 0.00 42.92 41.70 2isa s ASP 123 CO 0.14 -0.10 0.15 -0.22 0.21 0.00 0.00 175.17 175.36 2isa s LEU 124 N 1.68 4.80 -1.22 1.23 2.96 0.34 -4.44 118.68 124.03 2isa s LEU 124 Ca 0.13 -2.37 -0.18 0.00 -0.22 0.00 0.00 54.13 51.49 2isa s LEU 124 Cb -0.15 -1.69 0.09 0.00 0.50 0.00 0.00 46.19 44.94 2isa s LEU 124 CO 0.09 -0.38 1.61 0.00 -1.32 0.00 0.00 176.35 176.35 2isa s ALA 125 N 0.61 3.33 0.65 5.97 0.00 -1.26 -0.69 121.76 130.38 2isa s ALA 125 Ca 0.12 -2.87 -0.01 0.00 0.00 0.00 0.00 51.96 49.20 2isa s ALA 125 Cb -0.21 -4.51 0.10 0.00 0.00 0.00 0.00 23.12 18.50 2isa s ALA 125 CO -0.05 -3.25 0.70 0.41 0.00 0.00 0.00 175.76 173.56 2isa n GLY 126 N 5.45 0.53 3.32 0.00 0.00 -0.33 -4.93 105.19 109.23 2isa n GLY 126 Ca 0.43 -1.98 -0.17 0.00 0.00 0.00 0.00 46.02 44.30 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 -3.81 1.20 -0.01 1.61 0.01 -0.65 -0.49 114.94 112.80 2isa s ASN 127 Ca 0.46 -1.41 0.03 0.00 -0.71 0.00 0.00 52.86 51.23 2isa s ASN 127 Cb -0.02 0.20 0.10 0.00 0.41 0.00 0.00 41.25 41.94 2isa s ASN 127 CO 0.30 -0.76 0.94 -0.46 -1.51 0.00 0.00 177.10 175.62 2isa n ASN 128 N -0.52 0.98 -4.06 -1.22 6.94 0.66 -0.75 115.26 117.28 2isa n ASN 128 Ca 0.00 -2.05 -0.16 0.00 -0.02 0.00 0.00 54.58 52.35 2isa n ASN 128 Cb 0.66 -0.23 -0.13 0.00 -2.36 0.00 0.00 39.78 37.72 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 -1.64 0.71 -0.79 5.53 -1.32 -1.26 -4.64 115.64 112.21 2isa s THR 129 Ca 0.08 -0.82 0.25 0.00 -1.21 0.00 0.00 61.69 59.99 2isa s THR 129 Cb 0.05 -0.68 0.24 0.00 -1.51 0.00 0.00 72.50 70.60 2isa s THR 129 CO 0.04 -0.11 1.76 -0.81 -2.21 0.00 0.00 174.62 173.30 2isa n PRO 130 N 2.03 0.14 -4.66 7.08 -0.04 -1.26 -4.54 135.00 133.75 2isa n PRO 130 Ca -0.18 0.20 -0.30 0.00 -0.04 0.00 0.00 63.50 63.17 2isa n PRO 130 Cb 0.56 -1.69 -0.07 0.00 -0.04 0.00 0.00 33.50 32.25 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 -3.10 0.75 0.26 0.52 -7.23 -1.26 -4.37 120.40 105.96 2isa s VAL 131 Ca 0.10 -2.00 -0.05 0.00 -1.81 0.00 0.00 61.98 58.22 2isa s VAL 131 Cb 0.13 -2.14 -0.02 0.00 0.56 0.00 0.00 36.38 34.92 2isa s VAL 131 CO 0.49 0.00 0.35 0.12 -0.31 0.00 0.00 175.10 175.75 2isa s PHE 132 N -3.04 0.90 0.22 2.82 5.36 -1.02 -4.96 117.98 118.25 2isa s PHE 132 Ca 0.11 -1.15 0.17 0.00 -0.96 0.00 0.00 56.93 55.10 2isa s PHE 132 Cb 0.01 -0.19 0.64 0.00 -0.34 0.00 0.00 43.02 43.14 2isa s PHE 132 CO 0.08 -0.91 1.73 0.74 -1.46 0.00 0.00 175.22 175.40 2isa h PHE 133 N 2.33 0.00 -3.63 10.12 -1.00 -1.89 -3.38 116.94 119.49 2isa h PHE 133 Ca -0.30 0.00 -0.67 0.00 2.81 0.00 0.00 57.97 59.81 2isa h PHE 133 Cb 1.25 0.00 -0.20 0.00 3.61 0.00 0.00 35.95 40.61 2isa h PHE 133 CO 0.75 0.42 -0.84 -0.51 -1.61 0.00 0.00 178.31 176.52 2isa s LEU 134 N -7.30 2.44 -0.06 1.54 1.43 -1.26 -3.02 118.68 112.46 2isa s LEU 134 Ca -0.01 -0.75 0.20 0.00 -1.03 0.00 0.00 54.13 52.55 2isa s LEU 134 Cb 0.12 -1.28 -0.31 0.00 0.03 0.00 0.00 46.19 44.75 2isa s LEU 134 CO 0.70 0.16 0.39 0.54 0.23 0.00 0.00 176.35 178.37 2isa n ARG 135 N 0.66 0.67 -4.61 1.70 1.74 -1.26 -4.42 116.66 111.14 2isa n ARG 135 Ca -0.16 -0.16 -0.24 0.00 -0.77 0.00 0.00 57.85 56.53 2isa n ARG 135 Cb 0.54 -1.50 -0.16 0.00 -1.02 0.00 0.00 32.46 30.32 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 -4.58 1.71 0.40 0.55 -1.08 -1.26 -3.93 116.67 108.49 2isa s ASP 136 Ca -0.08 -0.28 0.29 0.00 -0.52 0.00 0.00 52.55 51.96 2isa s ASP 136 Cb 0.12 -0.53 1.16 0.00 -1.46 0.00 0.00 42.92 42.21 2isa s ASP 136 CO 0.86 0.09 1.85 1.55 0.52 0.00 0.00 175.17 180.04 2isa h PRO 137 N 6.45 0.00 -0.36 4.34 0.13 -1.89 -2.26 132.00 138.41 2isa h PRO 137 Ca -0.33 0.00 0.10 0.00 -0.87 0.00 0.00 66.00 64.91 2isa h PRO 137 Cb 1.17 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.29 2isa h PRO 137 CO 0.48 0.00 0.28 -0.07 -0.23 0.00 0.00 178.00 178.46 2isa h LEU 138 N 0.00 0.00 -0.06 1.56 3.38 -1.96 -1.65 115.31 116.58 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 0.45 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.20 2isa h LEU 138 CO 0.00 0.00 -0.02 0.29 0.09 0.00 0.00 178.44 178.80 2isa n LYS 139 N -4.27 0.62 -0.07 1.13 4.76 -0.85 -4.21 118.16 115.27 2isa n LYS 139 Ca 0.06 -0.06 -0.12 0.00 -2.87 0.00 0.00 58.31 55.31 2isa n LYS 139 Cb 0.45 -1.50 -0.05 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 0.15 0.49 -0.14 2.13 3.57 -1.47 -0.61 116.94 121.05 2isa h PHE 140 Ca 0.00 -0.12 0.01 0.00 3.53 0.00 0.00 57.97 61.39 2isa h PHE 140 Cb 0.24 -0.11 -0.01 0.00 2.79 0.00 0.00 35.95 38.86 2isa h PHE 140 CO 0.00 0.70 0.09 -1.35 -2.23 0.00 0.00 178.31 175.52 2isa h PRO 141 N 0.13 0.16 -0.44 6.41 0.11 -1.79 -2.04 132.00 134.53 2isa h PRO 141 Ca 0.05 -0.01 -0.13 0.00 0.11 0.00 0.00 66.00 66.02 2isa h PRO 141 Cb 0.57 -0.04 -0.01 0.00 0.11 0.00 0.00 31.00 31.63 2isa h PRO 141 CO 0.03 0.11 -0.22 -0.44 -0.21 0.00 0.00 178.00 177.26 2isa h ASP 142 N 0.16 0.96 0.11 -2.05 3.32 -1.70 -1.38 116.42 115.84 2isa h ASP 142 Ca 0.05 -0.41 0.00 0.00 0.02 0.00 0.00 57.03 56.70 2isa h ASP 142 Cb 0.02 -0.26 -0.01 0.00 0.22 0.00 0.00 39.33 39.29 2isa h ASP 142 CO -0.01 1.15 -0.11 0.25 -1.72 0.00 0.00 179.24 178.80 2isa h LEU 143 N 0.76 -0.29 -0.35 1.55 5.85 -0.61 -0.11 115.31 122.11 2isa h LEU 143 Ca 0.10 0.03 0.08 0.00 0.84 0.00 0.00 57.88 58.92 2isa h LEU 143 Cb 0.79 0.10 -0.08 0.00 0.37 0.00 0.00 40.66 41.84 2isa h LEU 143 CO 0.07 -0.17 -0.21 -1.13 -0.34 0.00 0.00 178.44 176.65 2isa h ASN 144 N -0.24 -0.71 0.37 1.25 -0.73 -1.33 0.82 115.58 115.01 2isa h ASN 144 Ca 0.00 0.15 -0.03 0.00 1.87 0.00 0.00 56.30 58.30 2isa h ASN 144 Cb 0.23 0.37 -0.00 0.00 0.27 0.00 0.00 38.32 39.18 2isa h ASN 144 CO -0.03 -0.24 -0.14 0.45 -0.37 0.00 0.00 177.43 177.10 2isa h HIS 145 N -0.16 0.00 0.08 0.67 3.86 -1.05 -0.33 115.15 118.22 2isa h HIS 145 Ca 0.18 0.00 -0.27 0.00 -1.16 0.00 0.00 60.37 59.12 2isa h HIS 145 Cb 0.44 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 28.89 2isa h HIS 145 CO -0.43 0.14 -1.33 0.00 0.86 0.00 0.00 177.93 177.17 2isa h ALA 146 N 1.86 0.28 0.00 2.45 0.00 0.15 -3.38 119.26 120.63 2isa h ALA 146 Ca -0.00 -1.03 0.00 0.00 0.00 0.00 0.00 54.91 53.88 2isa h ALA 146 Cb 0.36 0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.26 2isa h ALA 146 CO 0.02 1.16 -1.34 1.33 0.00 0.00 0.00 179.25 180.41 2isa n VAL 147 N -3.42 0.17 -0.99 0.00 0.24 0.17 -2.95 118.33 111.56 2isa n VAL 147 Ca -0.10 -0.36 0.00 0.00 -2.04 0.00 0.00 64.34 61.84 2isa n VAL 147 Cb 1.01 0.12 0.00 0.00 -1.47 0.00 0.00 33.84 33.51 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 -2.14 3.37 -2.61 7.34 5.02 -0.17 -4.87 118.16 124.10 2isa n LYS 148 Ca -0.00 0.00 -0.41 0.00 -2.02 0.00 0.00 58.31 55.88 2isa n LYS 148 Cb 0.49 0.00 -0.04 0.00 -0.02 0.00 0.00 35.03 35.46 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 2.79 4.67 0.30 1.97 0.52 -1.26 -4.20 118.95 123.74 2isa s ARG 149 Ca 0.00 1.61 -0.29 0.00 -0.52 0.00 0.00 55.73 56.53 2isa s ARG 149 Cb 0.00 -3.30 -0.11 0.00 0.52 0.00 0.00 34.95 32.06 2isa s ARG 149 CO 0.00 0.19 1.52 0.34 0.02 0.00 0.00 175.30 177.38 2isa s ASP 150 N -0.30 6.45 0.42 0.23 -1.08 0.54 -4.81 116.67 118.12 2isa s ASP 150 Ca 0.47 2.90 0.20 0.00 -0.52 0.00 0.00 52.55 55.60 2isa s ASP 150 Cb -0.27 -2.64 1.15 0.00 -1.46 0.00 0.00 42.92 39.70 2isa s ASP 150 CO 0.33 -0.84 1.79 -0.65 0.52 0.00 0.00 175.17 176.33 2isa h PRO 151 N 4.40 0.34 0.00 4.34 0.11 -1.94 -0.86 132.00 138.40 2isa h PRO 151 Ca -0.48 -0.02 -0.26 0.00 0.11 0.00 0.00 66.00 65.35 2isa h PRO 151 Cb 1.22 -0.08 -0.04 0.00 0.11 0.00 0.00 31.00 32.22 2isa h PRO 151 CO 0.75 0.23 -1.53 -2.13 -0.21 0.00 0.00 178.00 175.10 2isa n ARG 152 N -4.55 0.56 0.13 1.05 0.63 -1.26 -4.57 116.66 108.64 2isa n ARG 152 Ca 0.24 0.47 0.13 0.00 -0.92 0.00 0.00 57.85 57.76 2isa n ARG 152 Cb 0.87 -1.66 0.40 0.00 0.45 0.00 0.00 32.46 32.53 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 -1.00 0.00 -3.93 5.15 1.35 -1.95 -3.47 112.91 109.07 2isa h THR 153 Ca -0.40 -0.51 -0.26 0.00 -0.55 0.00 0.00 66.41 64.70 2isa h THR 153 Cb 1.29 1.47 -0.01 0.00 -1.73 0.00 0.00 68.15 69.17 2isa h THR 153 CO -0.24 0.00 -0.33 -3.20 -0.25 0.00 0.00 175.52 171.49 2isa n ASN 154 N -2.40 -3.93 -4.18 5.36 5.15 -0.33 -4.94 115.26 109.99 2isa n ASN 154 Ca 0.05 0.15 -0.13 0.00 -0.60 0.00 0.00 54.58 54.05 2isa n ASN 154 Cb 0.41 -3.34 -0.10 0.00 -0.53 0.00 0.00 39.78 36.22 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 -5.10 0.87 0.56 1.20 -1.94 -1.26 -4.79 119.30 108.84 2isa s MET 155 Ca 0.03 -1.25 -0.21 0.00 -1.71 0.00 0.00 55.69 52.55 2isa s MET 155 Cb -0.01 -0.43 -0.04 0.00 2.01 0.00 0.00 34.83 36.35 2isa s MET 155 CO 0.03 0.05 1.33 1.03 -0.01 0.00 0.00 175.02 177.45 2isa s ARG 156 N -3.25 3.06 -0.17 2.03 0.52 -1.26 -0.34 118.95 119.55 2isa s ARG 156 Ca 0.09 2.16 0.01 0.00 -0.52 0.00 0.00 55.73 57.46 2isa s ARG 156 Cb 0.00 -2.17 0.03 0.00 0.52 0.00 0.00 34.95 33.33 2isa s ARG 156 CO -0.01 -1.23 -0.14 0.45 0.02 0.00 0.00 175.30 174.38 2isa s SER 157 N -1.09 2.96 0.22 0.23 0.15 -1.26 -4.84 113.70 110.07 2isa s SER 157 Ca 0.73 -0.62 -0.07 0.00 0.70 0.00 0.00 55.95 56.70 2isa s SER 157 Cb -0.39 -1.26 0.18 0.00 -1.71 0.00 0.00 66.02 62.84 2isa s SER 157 CO 0.45 -0.07 1.72 0.00 1.20 0.00 0.00 173.24 176.55 2isa h ALA 158 N 8.01 0.99 -0.07 5.45 0.00 -1.93 -1.64 119.26 130.07 2isa h ALA 158 Ca -0.37 -0.26 0.03 0.00 0.00 0.00 0.00 54.91 54.31 2isa h ALA 158 Cb 1.13 -0.25 -0.04 0.00 0.00 0.00 0.00 17.79 18.63 2isa h ALA 158 CO 0.54 0.64 -0.14 -0.22 0.00 0.00 0.00 179.25 180.07 2isa h LYS 159 N 0.98 -0.19 -0.09 0.00 3.11 -1.94 -0.22 116.57 118.22 2isa h LYS 159 Ca 0.20 0.01 0.01 0.00 -2.81 0.00 0.00 60.65 58.06 2isa h LYS 159 Cb 0.41 0.04 -0.01 0.00 -1.00 0.00 0.00 32.23 31.67 2isa h LYS 159 CO 0.01 -0.13 0.01 -0.91 -2.81 0.00 0.00 179.45 175.62 2isa h ASN 160 N -0.20 -0.02 -0.25 4.20 -0.26 -1.82 0.62 115.58 117.86 2isa h ASN 160 Ca 0.07 0.02 0.02 0.00 -0.56 0.00 0.00 56.30 55.84 2isa h ASN 160 Cb 0.30 0.03 -0.02 0.00 -1.06 0.00 0.00 38.32 37.56 2isa h ASN 160 CO -0.18 0.01 0.13 -1.13 -1.06 0.00 0.00 177.43 175.19 2isa h ASN 161 N 0.05 0.19 0.74 5.81 -0.73 -1.12 -2.53 115.58 117.98 2isa h ASN 161 Ca 0.04 0.01 -0.25 0.00 1.87 0.00 0.00 56.30 57.97 2isa h ASN 161 Cb 0.04 -0.03 -0.01 0.00 0.27 0.00 0.00 38.32 38.60 2isa h ASN 161 CO -0.06 0.14 -1.16 -0.50 -0.37 0.00 0.00 177.43 175.48 2isa h TRP 162 N 0.27 0.35 -0.34 0.67 4.06 -0.96 -2.04 115.95 117.96 2isa h TRP 162 Ca 0.10 -0.25 0.06 0.00 2.06 0.00 0.00 58.89 60.87 2isa h TRP 162 Cb 0.03 -0.01 -0.06 0.00 -1.00 0.00 0.00 29.16 28.11 2isa h TRP 162 CO -0.09 1.19 -0.04 0.22 -3.56 0.00 0.00 178.44 176.16 2isa h ASP 163 N 0.05 -0.21 -0.07 -3.49 3.58 -0.87 0.22 116.42 115.63 2isa h ASP 163 Ca -0.10 0.09 -0.01 0.00 0.42 0.00 0.00 57.03 57.43 2isa h ASP 163 Cb 1.90 0.17 -0.00 0.00 1.72 0.00 0.00 39.33 43.12 2isa h ASP 163 CO 0.18 -0.07 0.00 0.15 -2.88 0.00 0.00 179.24 176.62 2isa h PHE 164 N 0.05 0.14 -0.54 0.28 3.57 -1.46 -2.67 116.94 116.32 2isa h PHE 164 Ca 0.17 -0.02 -0.00 0.00 3.53 0.00 0.00 57.97 61.64 2isa h PHE 164 Cb 0.24 -0.04 -0.03 0.00 2.79 0.00 0.00 35.95 38.92 2isa h PHE 164 CO -0.27 0.39 0.32 -1.49 -2.23 0.00 0.00 178.31 175.03 2isa h TRP 165 N -0.16 0.71 0.00 0.41 6.55 -1.27 -2.51 115.95 119.68 2isa h TRP 165 Ca 0.02 -0.01 0.00 0.00 0.95 0.00 0.00 58.89 59.86 2isa h TRP 165 Cb 0.34 -0.23 0.00 0.00 -0.86 0.00 0.00 29.16 28.40 2isa h TRP 165 CO 0.03 0.50 0.00 1.79 -1.05 0.00 0.00 178.44 179.71 2isa h THR 166 N 0.72 0.00 0.00 1.49 1.35 -0.94 -2.35 112.91 113.18 2isa h THR 166 Ca 0.19 -0.31 0.00 0.00 -0.55 0.00 0.00 66.41 65.74 2isa h THR 166 Cb -0.00 1.14 0.00 0.00 -1.73 0.00 0.00 68.15 67.56 2isa h THR 166 CO -0.03 0.00 -0.31 -1.20 -0.25 0.00 0.00 175.52 173.73 2isa n SER 167 N -2.62 0.33 -3.78 5.36 7.64 -0.95 -4.44 113.62 115.16 2isa n SER 167 Ca 0.01 0.07 -0.29 0.00 1.01 0.00 0.00 58.87 59.67 2isa n SER 167 Cb 0.24 -0.06 -0.13 0.00 -1.01 0.00 0.00 64.21 63.25 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 -3.10 3.44 0.57 -3.43 1.43 -0.88 -4.98 118.68 111.72 2isa s LEU 168 Ca 0.12 -3.03 0.26 0.00 -1.03 0.00 0.00 54.13 50.45 2isa s LEU 168 Cb 0.18 -1.26 1.54 0.00 0.03 0.00 0.00 46.19 46.68 2isa s LEU 168 CO 0.64 -0.21 2.08 1.55 0.23 0.00 0.00 176.35 180.64 2isa h PRO 169 N 6.28 0.00 0.00 1.29 0.13 -1.78 0.11 132.00 138.03 2isa h PRO 169 Ca 0.03 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 65.16 2isa h PRO 169 Cb 0.88 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.01 2isa h PRO 169 CO 0.57 0.00 -0.01 1.05 -0.23 0.00 0.00 178.00 179.38 2isa h GLU 170 N 0.00 0.00 0.00 0.86 9.09 -1.87 -1.82 114.58 120.84 2isa h GLU 170 Ca 0.11 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.52 2isa h GLU 170 Cb 0.55 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.65 2isa h GLU 170 CO -0.00 0.01 0.00 0.00 0.05 0.00 0.00 179.01 179.07 2isa n ALA 171 N -2.17 1.84 -0.35 1.06 0.00 0.37 -4.02 120.51 117.24 2isa n ALA 171 Ca -0.03 -0.03 0.05 0.00 0.00 0.00 0.00 53.44 53.44 2isa n ALA 171 Cb 0.10 -1.33 0.23 0.00 0.00 0.00 0.00 19.45 18.45 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 0.95 0.04 0.00 5.85 -1.50 -1.22 115.31 119.43 2isa h LEU 172 Ca 0.00 0.02 0.02 0.00 0.84 0.00 0.00 57.88 58.76 2isa h LEU 172 Cb 0.36 -0.17 -0.03 0.00 0.37 0.00 0.00 40.66 41.19 2isa h LEU 172 CO 0.00 0.57 -0.17 -0.74 -0.34 0.00 0.00 178.44 177.75 2isa h HIS 173 N 1.05 -0.45 0.00 1.25 2.76 -1.83 -0.90 115.15 117.04 2isa h HIS 173 Ca 0.45 0.01 -0.19 0.00 -2.20 0.00 0.00 60.37 58.44 2isa h HIS 173 Cb 0.32 0.19 -0.02 0.00 1.55 0.00 0.00 27.41 29.46 2isa h HIS 173 CO -0.00 -0.25 -0.86 0.37 -1.30 0.00 0.00 177.93 175.89 2isa h GLN 174 N -0.30 0.13 -0.83 5.26 5.75 -1.74 -2.70 115.11 120.68 2isa h GLN 174 Ca 0.04 -0.14 0.07 0.00 -0.15 0.00 0.00 58.65 58.47 2isa h GLN 174 Cb 0.35 0.04 -0.06 0.00 1.07 0.00 0.00 27.48 28.88 2isa h GLN 174 CO -0.14 0.91 0.50 0.28 -2.65 0.00 0.00 178.83 177.73 2isa h VAL 175 N 0.07 1.01 -0.49 2.39 2.07 -1.12 -0.61 116.25 119.57 2isa h VAL 175 Ca -0.03 -0.31 -0.01 0.00 0.82 0.00 0.00 66.70 67.16 2isa h VAL 175 Cb 1.49 0.03 -0.02 0.00 -1.52 0.00 0.00 31.29 31.26 2isa h VAL 175 CO 0.12 0.17 0.25 0.74 0.02 0.00 0.00 177.57 178.87 2isa h THR 176 N 0.91 1.18 -0.57 2.57 2.02 -1.00 -1.06 112.91 116.95 2isa h THR 176 Ca 0.37 -0.49 -0.06 0.00 0.77 0.00 0.00 66.41 67.00 2isa h THR 176 Cb 0.20 0.61 -0.02 0.00 -1.74 0.00 0.00 68.15 67.20 2isa h THR 176 CO -0.18 0.20 0.13 0.40 0.37 0.00 0.00 175.52 176.44 2isa h ILE 177 N 0.65 1.25 -0.00 3.11 2.04 -1.16 -0.58 117.51 122.82 2isa h ILE 177 Ca 0.17 -0.90 -0.15 0.00 1.00 0.00 0.00 64.86 64.98 2isa h ILE 177 Cb 0.09 0.74 -0.02 0.00 -0.74 0.00 0.00 36.82 36.88 2isa h ILE 177 CO -0.02 0.33 -0.70 1.62 0.00 0.00 0.00 178.15 179.38 2isa h VAL 178 N 0.83 1.50 0.00 1.67 3.04 -0.90 -2.86 116.25 119.53 2isa h VAL 178 Ca 0.18 -2.40 0.00 0.00 -1.01 0.00 0.00 66.70 63.47 2isa h VAL 178 Cb 0.35 2.30 0.00 0.00 -2.01 0.00 0.00 31.29 31.93 2isa h VAL 178 CO 0.00 0.69 -0.25 0.23 -1.01 0.00 0.00 177.57 177.23 2isa n MET 179 N -3.71 0.27 -1.26 4.17 2.81 -0.42 -4.00 117.12 114.98 2isa n MET 179 Ca -0.01 0.16 -0.24 0.00 -1.81 0.00 0.00 57.70 55.80 2isa n MET 179 Cb 0.69 -1.76 0.18 0.00 -0.71 0.00 0.00 33.22 31.62 2isa n MET 179 CO 0.00 0.00 0.00 -1.13 1.51 0.00 0.00 175.97 176.35 2isa n SER 180 N -2.20 -0.77 0.30 7.83 3.41 -0.23 -4.30 113.62 117.67 2isa n SER 180 Ca 0.05 -1.25 0.18 0.00 -0.26 0.00 0.00 58.87 57.59 2isa n SER 180 Cb 0.43 -0.83 0.95 0.00 -0.26 0.00 0.00 64.21 64.50 2isa n SER 180 CO 0.00 0.00 0.00 -2.24 -0.16 0.00 0.00 175.04 172.64 2isa h ASP 181 N -1.86 0.00 0.00 4.04 2.03 -1.86 -2.26 116.42 116.52 2isa h ASP 181 Ca -0.35 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 55.95 2isa h ASP 181 Cb 1.00 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.50 2isa h ASP 181 CO 0.24 0.03 0.00 0.54 -1.03 0.00 0.00 179.24 179.02 2isa n ARG 182 N -3.31 0.97 0.26 4.15 1.74 -1.26 -3.85 116.66 115.36 2isa n ARG 182 Ca -0.02 0.00 0.12 0.00 -0.77 0.00 0.00 57.85 57.19 2isa n ARG 182 Cb 0.17 -1.41 0.69 0.00 -1.02 0.00 0.00 32.46 30.89 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 5.05 0.00 -6.89 -0.13 0.00 -1.49 -3.36 103.07 96.25 2isa h GLY 183 Ca 0.00 0.00 -0.60 0.00 0.00 0.00 0.00 47.33 46.73 2isa h GLY 183 CO 0.00 0.00 -0.76 -0.42 0.00 0.00 0.00 176.54 175.36 2isa s ILE 184 N -4.09 1.11 0.48 2.60 1.01 -1.25 -1.68 121.20 119.37 2isa s ILE 184 Ca -0.02 -2.38 -0.24 0.00 0.00 0.00 0.00 60.65 58.01 2isa s ILE 184 Cb 0.13 -1.78 -0.08 0.00 0.01 0.00 0.00 42.46 40.74 2isa s ILE 184 CO 0.59 -0.92 1.32 -2.65 0.00 0.00 0.00 174.94 173.27 2isa n PRO 185 N 3.64 1.88 0.07 2.79 -0.02 -1.26 -0.49 135.00 141.60 2isa n PRO 185 Ca 0.10 0.68 -0.01 0.00 -2.02 0.00 0.00 63.50 62.24 2isa n PRO 185 Cb 0.35 -2.49 0.26 0.00 -0.02 0.00 0.00 33.50 31.61 2isa n PRO 185 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2isa h ALA 186 N 1.85 1.22 -2.89 3.55 0.00 -1.10 -3.42 119.26 118.47 2isa h ALA 186 Ca -0.49 -0.33 -0.03 0.00 0.00 0.00 0.00 54.91 54.06 2isa h ALA 186 Cb 1.30 -0.10 -0.08 0.00 0.00 0.00 0.00 17.79 18.91 2isa h ALA 186 CO 0.59 0.51 -0.01 0.95 0.00 0.00 0.00 179.25 181.29 2isa s THR 187 N -4.45 0.00 0.16 0.00 -4.23 -1.26 -4.92 115.64 100.94 2isa s THR 187 Ca -0.06 -1.29 0.34 0.00 -1.18 0.00 0.00 61.69 59.51 2isa s THR 187 Cb 0.14 -2.17 0.39 0.00 1.34 0.00 0.00 72.50 72.19 2isa s THR 187 CO 0.77 0.00 2.02 1.88 -0.54 0.00 0.00 174.62 178.74 2isa h TYR 188 N 2.17 0.00 0.00 3.99 0.05 -1.89 -2.89 116.97 118.40 2isa h TYR 188 Ca -0.24 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.54 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 0.46 0.01 -0.01 0.00 -1.05 0.00 0.00 178.16 177.57 2isa h ARG 189 N 0.00 0.00 -0.72 4.88 3.08 -1.96 -3.34 114.38 116.32 2isa h ARG 189 Ca -0.00 0.00 -0.50 0.00 0.07 0.00 0.00 59.98 59.55 2isa h ARG 189 Cb 0.47 0.00 -0.33 0.00 0.08 0.00 0.00 29.97 30.20 2isa h ARG 189 CO 0.00 0.00 -0.26 0.72 -1.07 0.00 0.00 179.97 179.37 2isa n HIS 190 N -2.31 2.51 -4.07 3.04 8.25 -1.09 -4.44 115.22 117.11 2isa n HIS 190 Ca 0.05 -2.30 -0.09 0.00 -0.26 0.00 0.00 57.72 55.13 2isa n HIS 190 Cb 0.44 -0.65 -0.10 0.00 1.12 0.00 0.00 29.99 30.80 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 -3.59 0.55 0.59 -0.41 0.23 -1.25 -2.63 119.30 112.79 2isa s MET 191 Ca 0.53 -1.03 -0.04 0.00 -1.03 0.00 0.00 55.69 54.12 2isa s MET 191 Cb 0.43 0.08 0.02 0.00 -1.53 0.00 0.00 34.83 33.83 2isa s MET 191 CO 0.02 -0.07 0.88 -1.01 -2.03 0.00 0.00 175.02 172.81 2isa s HIS 192 N -2.98 3.12 0.15 3.16 0.09 -1.26 -4.41 115.29 113.15 2isa s HIS 192 Ca -0.00 0.46 0.10 0.00 -0.00 0.00 0.00 55.06 55.62 2isa s HIS 192 Cb 0.01 -2.79 -0.04 0.00 -0.00 0.00 0.00 32.58 29.76 2isa s HIS 192 CO -0.06 -0.91 -0.22 0.20 -0.00 0.00 0.00 174.74 173.75 2isa s GLY 193 N -4.36 1.46 -0.08 -2.22 0.00 0.21 -4.20 107.32 98.13 2isa s GLY 193 Ca 0.55 -1.45 -0.10 0.00 0.00 0.00 0.00 44.72 43.73 2isa s GLY 193 CO 0.43 -1.46 0.26 -1.36 0.00 0.00 0.00 173.10 170.97 2isa s PHE 194 N -1.50 -0.24 0.19 1.90 0.40 0.07 0.20 117.98 119.01 2isa s PHE 194 Ca 0.14 0.56 0.33 0.00 -0.60 0.00 0.00 56.93 57.36 2isa s PHE 194 Cb -0.08 0.08 1.44 0.00 0.51 0.00 0.00 43.02 44.97 2isa s PHE 194 CO 0.07 -0.19 2.02 0.78 0.70 0.00 0.00 175.22 178.59 2isa h GLY 195 N 5.32 0.00 0.00 4.36 0.00 -1.64 -1.73 103.07 109.39 2isa h GLY 195 Ca -0.27 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.06 2isa h GLY 195 CO 0.36 0.00 0.00 1.44 0.00 0.00 0.00 176.54 178.34 2isa n SER 196 N -3.17 0.00 -4.77 0.19 7.64 -1.26 -4.81 113.62 107.44 2isa n SER 196 Ca -0.00 0.00 -0.33 0.00 1.01 0.00 0.00 58.87 59.55 2isa n SER 196 Cb 0.29 0.00 0.05 0.00 -1.01 0.00 0.00 64.21 63.54 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 2.62 0.12 1.43 3.76 -1.26 -4.81 115.29 117.15 2isa s HIS 197 Ca 0.00 1.55 -0.31 0.00 -0.15 0.00 0.00 55.06 56.15 2isa s HIS 197 Cb 0.00 -3.16 -0.08 0.00 1.11 0.00 0.00 32.58 30.45 2isa s HIS 197 CO 0.00 -1.70 1.34 0.99 -0.85 0.00 0.00 174.74 174.52 2isa s THR 198 N -2.37 3.43 0.00 1.30 2.01 -1.26 -4.63 115.64 114.13 2isa s THR 198 Ca 0.67 1.05 0.00 0.00 0.31 0.00 0.00 61.69 63.72 2isa s THR 198 Cb -0.20 -3.67 0.00 0.00 0.01 0.00 0.00 72.50 68.63 2isa s THR 198 CO 0.42 0.09 0.00 0.49 -0.69 0.00 0.00 174.62 174.94 2isa n PHE 199 N 3.75 -0.21 -4.04 4.92 3.01 -0.02 -4.17 117.46 120.69 2isa n PHE 199 Ca 0.10 0.00 -0.11 0.00 1.01 0.00 0.00 57.45 58.45 2isa n PHE 199 Cb 0.43 0.00 -0.11 0.00 -0.01 0.00 0.00 39.48 39.79 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 -0.06 0.63 -0.09 4.37 1.04 -0.59 -1.49 113.70 117.51 2isa s SER 200 Ca 0.00 -0.57 -0.01 0.00 0.48 0.00 0.00 55.95 55.85 2isa s SER 200 Cb 0.00 0.07 -0.03 0.00 0.10 0.00 0.00 66.02 66.16 2isa s SER 200 CO 0.00 -0.27 -0.01 -0.36 0.98 0.00 0.00 173.24 173.58 2isa s PHE 201 N -1.60 3.11 -0.11 5.02 0.08 0.24 -0.64 117.98 124.08 2isa s PHE 201 Ca -0.11 0.14 0.03 0.00 0.12 0.00 0.00 56.93 57.11 2isa s PHE 201 Cb -0.09 -1.78 0.01 0.00 -0.57 0.00 0.00 43.02 40.59 2isa s PHE 201 CO -0.01 0.42 -0.20 0.42 -0.10 0.00 0.00 175.22 175.75 2isa s ILE 202 N -0.80 1.85 0.66 0.64 -1.09 -0.50 -0.81 121.20 121.15 2isa s ILE 202 Ca 0.12 -0.87 0.06 0.00 -2.23 0.00 0.00 60.65 57.73 2isa s ILE 202 Cb -0.11 -1.64 0.12 0.00 -1.58 0.00 0.00 42.46 39.25 2isa s ILE 202 CO 0.02 0.51 0.91 -0.46 -1.23 0.00 0.00 174.94 174.69 2isa n ASN 203 N 3.92 1.85 -0.31 3.58 0.23 -0.83 -1.31 115.26 122.40 2isa n ASN 203 Ca -0.20 -2.42 0.23 0.00 -0.53 0.00 0.00 54.58 51.67 2isa n ASN 203 Cb 0.52 -0.53 0.52 0.00 -2.08 0.00 0.00 39.78 38.21 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 -0.19 0.41 -0.46 0.53 0.02 -1.86 0.08 113.55 112.09 2isa h SER 204 Ca -0.30 0.07 0.00 0.00 -0.84 0.00 0.00 61.79 60.72 2isa h SER 204 Cb 1.27 0.01 0.00 0.00 0.14 0.00 0.00 62.40 63.82 2isa h SER 204 CO 0.38 0.09 0.00 0.47 -1.14 0.00 0.00 176.83 176.63 2isa n ASP 205 N -4.59 4.30 -2.07 3.07 8.00 -1.26 -4.92 116.55 119.07 2isa n ASP 205 Ca 0.25 -2.57 -0.21 0.00 0.71 0.00 0.00 54.79 52.97 2isa n ASP 205 Cb 0.88 -0.59 -0.04 0.00 -0.02 0.00 0.00 41.12 41.35 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 0.61 -5.76 -4.80 -2.24 4.13 0.02 -5.00 115.26 102.21 2isa n ASN 206 Ca 0.21 0.20 -0.36 0.00 1.68 0.00 0.00 54.58 56.31 2isa n ASN 206 Cb 0.88 -4.91 -0.06 0.00 -1.54 0.00 0.00 39.78 34.14 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 -4.52 4.43 -0.11 3.52 2.02 -1.26 -4.63 118.70 118.15 2isa s GLU 207 Ca 0.00 1.15 -0.02 0.00 0.02 0.00 0.00 54.97 56.12 2isa s GLU 207 Cb 0.00 -2.73 -0.03 0.00 0.10 0.00 0.00 34.13 31.47 2isa s GLU 207 CO 0.00 0.27 -0.04 0.50 0.02 0.00 0.00 175.26 176.00 2isa s ARG 208 N -2.22 3.20 0.03 1.61 3.52 -1.26 -1.96 118.95 121.88 2isa s ARG 208 Ca 0.50 -0.51 0.07 0.00 -0.13 0.00 0.00 55.73 55.66 2isa s ARG 208 Cb -0.16 -2.77 -0.02 0.00 -1.56 0.00 0.00 34.95 30.43 2isa s ARG 208 CO 0.21 0.48 -0.22 0.71 -0.81 0.00 0.00 175.30 175.68 2isa s TYR 209 N -0.30 1.94 0.21 5.12 1.51 0.01 -3.47 117.35 122.36 2isa s TYR 209 Ca 0.05 -0.38 -0.23 0.00 -1.01 0.00 0.00 57.07 55.50 2isa s TYR 209 Cb -0.13 -1.18 -0.08 0.00 -0.11 0.00 0.00 41.96 40.46 2isa s TYR 209 CO 0.02 0.06 0.78 -1.58 -1.11 0.00 0.00 175.55 173.72 2isa s TRP 210 N -0.72 3.78 0.02 2.71 0.52 0.17 -0.59 118.94 124.83 2isa s TRP 210 Ca 0.08 1.56 0.00 0.00 0.02 0.00 0.00 56.10 57.76 2isa s TRP 210 Cb -0.09 -2.73 -0.02 0.00 -1.15 0.00 0.00 33.47 29.49 2isa s TRP 210 CO 0.01 0.41 -0.03 0.54 0.02 0.00 0.00 176.95 177.90 2isa s VAL 211 N -1.36 0.14 -0.06 4.03 0.11 -0.56 -0.18 120.40 122.52 2isa s VAL 211 Ca 0.40 -0.71 0.05 0.00 -2.93 0.00 0.00 61.98 58.79 2isa s VAL 211 Cb -0.20 -0.24 -0.02 0.00 -1.53 0.00 0.00 36.38 34.39 2isa s VAL 211 CO 0.24 -0.36 -0.21 -0.54 -3.33 0.00 0.00 175.10 170.90 2isa s LYS 212 N -1.12 2.60 -0.18 1.54 -0.14 -0.54 -0.84 119.74 121.06 2isa s LYS 212 Ca -0.11 -0.83 -0.09 0.00 -1.36 0.00 0.00 55.97 53.58 2isa s LYS 212 Cb -0.08 -2.26 -0.05 0.00 -1.68 0.00 0.00 37.83 33.76 2isa s LYS 212 CO -0.01 0.44 0.13 -0.06 -0.76 0.00 0.00 175.35 175.10 2isa s PHE 213 N -0.29 3.46 -0.05 3.18 0.08 -1.26 -1.96 117.98 121.13 2isa s PHE 213 Ca 0.01 0.38 0.02 0.00 0.12 0.00 0.00 56.93 57.46 2isa s PHE 213 Cb -0.13 -2.10 0.01 0.00 -0.57 0.00 0.00 43.02 40.24 2isa s PHE 213 CO 0.03 0.41 -0.10 -1.01 -0.10 0.00 0.00 175.22 174.44 2isa s HIS 214 N -0.03 1.23 -0.26 0.36 3.76 -0.07 -1.77 115.29 118.52 2isa s HIS 214 Ca 0.10 -0.40 0.02 0.00 -0.15 0.00 0.00 55.06 54.63 2isa s HIS 214 Cb -0.11 -0.91 0.06 0.00 1.11 0.00 0.00 32.58 32.72 2isa s HIS 214 CO -0.00 -0.21 -0.10 -0.06 -0.85 0.00 0.00 174.74 173.51 2isa s PHE 215 N 0.57 3.25 -0.27 1.40 0.40 0.13 -0.57 117.98 122.89 2isa s PHE 215 Ca -0.11 -2.25 -0.15 0.00 -0.60 0.00 0.00 56.93 53.82 2isa s PHE 215 Cb -0.14 -1.95 -0.04 0.00 0.51 0.00 0.00 43.02 41.40 2isa s PHE 215 CO 0.02 -0.87 0.36 0.08 0.70 0.00 0.00 175.22 175.51 2isa s VAL 216 N 1.13 5.19 0.19 -0.44 1.01 -0.04 -0.62 120.40 126.81 2isa s VAL 216 Ca -0.08 0.55 -0.32 0.00 0.00 0.00 0.00 61.98 62.13 2isa s VAL 216 Cb -0.20 -3.69 -0.11 0.00 0.00 0.00 0.00 36.38 32.39 2isa s VAL 216 CO -0.05 0.17 1.67 -0.55 0.00 0.00 0.00 175.10 176.34 2isa s SER 217 N 1.61 6.46 0.00 3.32 0.15 -1.26 -0.55 113.70 123.43 2isa s SER 217 Ca 0.15 2.76 0.29 0.00 0.70 0.00 0.00 55.95 59.85 2isa s SER 217 Cb -0.16 -2.60 1.30 0.00 -1.71 0.00 0.00 66.02 62.85 2isa s SER 217 CO 0.10 -0.92 1.89 0.00 1.20 0.00 0.00 173.24 175.51 2isa n GLN 218 N 4.09 1.04 0.00 5.44 6.02 -0.33 -3.35 117.38 130.29 2isa n GLN 218 Ca 0.15 -0.40 0.11 0.00 -0.01 0.00 0.00 57.00 56.85 2isa n GLN 218 Cb 0.37 -1.49 0.01 0.00 1.02 0.00 0.00 30.24 30.14 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 -0.63 0.51 0.00 -1.09 3.00 -1.26 -4.98 117.38 112.93 2isa n GLN 219 Ca 0.18 -0.40 0.00 0.00 -0.01 0.00 0.00 57.00 56.76 2isa n GLN 219 Cb 0.27 -1.49 0.00 0.00 0.00 0.00 0.00 30.24 29.01 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 1.46 -1.76 3.71 1.08 0.00 -1.21 -4.90 105.19 103.57 2isa n GLY 220 Ca 0.07 -1.53 -0.39 0.00 0.00 0.00 0.00 46.02 44.17 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 -1.99 5.11 -0.01 -0.61 -1.09 -1.26 -4.29 121.20 117.06 2isa s ILE 221 Ca 0.00 1.18 0.01 0.00 -2.23 0.00 0.00 60.65 59.61 2isa s ILE 221 Cb 0.00 -3.92 0.00 0.00 -1.58 0.00 0.00 42.46 36.96 2isa s ILE 221 CO 0.00 0.27 -0.04 -0.54 -1.23 0.00 0.00 174.94 173.40 2isa s LYS 222 N 0.86 0.38 0.21 2.79 1.02 -1.08 -5.05 119.74 118.87 2isa s LYS 222 Ca 0.31 -0.11 0.04 0.00 0.02 0.00 0.00 55.97 56.23 2isa s LYS 222 Cb -0.16 -0.40 -0.05 0.00 -0.52 0.00 0.00 37.83 36.70 2isa s LYS 222 CO 0.13 0.04 -0.04 -0.80 -0.92 0.00 0.00 175.35 173.77 2isa s ASN 223 N 0.18 1.91 -0.03 2.83 0.01 -1.26 -0.61 114.94 117.97 2isa s ASN 223 Ca -0.02 -1.16 0.06 0.00 -0.71 0.00 0.00 52.86 51.03 2isa s ASN 223 Cb -0.05 -0.01 -0.02 0.00 0.41 0.00 0.00 41.25 41.57 2isa s ASN 223 CO -0.00 -0.44 -0.19 -0.76 -1.51 0.00 0.00 177.10 174.19 2isa s LEU 224 N -3.28 2.49 0.91 0.60 1.43 0.36 -4.57 118.68 116.62 2isa s LEU 224 Ca 0.25 -0.32 -0.12 0.00 -1.03 0.00 0.00 54.13 52.91 2isa s LEU 224 Cb 0.05 -1.48 0.14 0.00 0.03 0.00 0.00 46.19 44.93 2isa s LEU 224 CO 0.07 0.32 1.13 -0.94 0.23 0.00 0.00 176.35 177.16 2isa s SER 225 N -0.81 3.49 0.27 2.29 1.04 -1.26 -4.49 113.70 114.23 2isa s SER 225 Ca 0.11 1.03 -0.01 0.00 0.48 0.00 0.00 55.95 57.56 2isa s SER 225 Cb -0.10 -1.64 0.45 0.00 0.10 0.00 0.00 66.02 64.83 2isa s SER 225 CO 0.01 -2.57 1.86 0.44 0.98 0.00 0.00 173.24 173.96 2isa h ASP 226 N -1.51 0.99 -0.41 7.02 3.32 -1.99 -1.40 116.42 122.45 2isa h ASP 226 Ca -0.51 0.02 -0.07 0.00 0.02 0.00 0.00 57.03 56.50 2isa h ASP 226 Cb 1.33 -0.18 -0.01 0.00 0.22 0.00 0.00 39.33 40.68 2isa h ASP 226 CO 0.61 0.60 -0.01 0.00 -1.72 0.00 0.00 179.24 178.72 2isa h ALA 227 N 1.48 0.56 -0.52 3.45 0.00 -2.00 -1.12 119.26 121.10 2isa h ALA 227 Ca 0.45 -0.27 -0.06 0.00 0.00 0.00 0.00 54.91 55.03 2isa h ALA 227 Cb 0.27 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.89 2isa h ALA 227 CO -0.20 0.35 0.08 0.93 0.00 0.00 0.00 179.25 180.41 2isa h GLU 228 N 0.56 0.83 -0.24 0.00 5.08 -1.87 -2.81 114.58 116.13 2isa h GLU 228 Ca 0.12 -0.19 -0.10 0.00 -1.00 0.00 0.00 59.36 58.19 2isa h GLU 228 Cb 0.50 -0.11 -0.00 0.00 0.50 0.00 0.00 28.75 29.63 2isa h GLU 228 CO 0.02 0.78 -0.23 0.00 -1.00 0.00 0.00 179.01 178.58 2isa h ALA 229 N 1.30 0.36 -0.67 3.43 0.00 -0.99 -1.55 119.26 121.13 2isa h ALA 229 Ca 0.17 -0.37 0.03 0.00 0.00 0.00 0.00 54.91 54.74 2isa h ALA 229 Cb 0.36 -0.08 -0.04 0.00 0.00 0.00 0.00 17.79 18.03 2isa h ALA 229 CO 0.01 0.32 0.41 0.78 0.00 0.00 0.00 179.25 180.77 2isa h GLY 230 N 0.29 0.96 0.96 0.00 0.00 -1.21 0.22 103.07 104.30 2isa h GLY 230 Ca 0.04 -0.31 -0.00 0.00 0.00 0.00 0.00 47.33 47.06 2isa h GLY 230 CO 0.06 0.26 0.08 -2.09 0.00 0.00 0.00 176.54 174.84 2isa h GLU 231 N 0.81 0.18 -0.41 4.80 4.81 -1.41 -0.62 114.58 122.73 2isa h GLU 231 Ca 0.27 -0.02 -0.01 0.00 -0.13 0.00 0.00 59.36 59.47 2isa h GLU 231 Cb 0.03 -0.04 -0.02 0.00 0.63 0.00 0.00 28.75 29.35 2isa h GLU 231 CO -0.11 0.17 0.22 1.25 -0.73 0.00 0.00 179.01 179.81 2isa h LEU 232 N 0.14 0.53 -0.86 1.64 5.85 -0.84 -2.97 115.31 118.79 2isa h LEU 232 Ca 0.05 -0.10 -0.04 0.00 0.84 0.00 0.00 57.88 58.63 2isa h LEU 232 Cb 0.04 -0.13 -0.04 0.00 0.37 0.00 0.00 40.66 40.90 2isa h LEU 232 CO -0.01 0.48 0.36 0.58 -0.34 0.00 0.00 178.44 179.51 2isa h VAL 233 N 0.53 1.26 -0.33 1.05 2.07 -0.40 0.11 116.25 120.54 2isa h VAL 233 Ca 0.14 -0.77 0.06 0.00 0.82 0.00 0.00 66.70 66.96 2isa h VAL 233 Cb 0.08 0.25 -0.02 0.00 -1.52 0.00 0.00 31.29 30.08 2isa h VAL 233 CO -0.02 0.32 0.23 1.23 0.02 0.00 0.00 177.57 179.35 2isa h GLY 234 N 1.18 0.24 1.08 2.17 0.00 -0.99 -2.74 103.07 104.00 2isa h GLY 234 Ca 0.28 -0.08 -0.26 0.00 0.00 0.00 0.00 47.33 47.27 2isa h GLY 234 CO -0.03 0.06 -1.58 3.43 0.00 0.00 0.00 176.54 178.42 2isa h ASN 235 N 0.19 0.00 -0.89 0.19 -0.26 -1.17 -3.48 115.58 110.16 2isa h ASN 235 Ca 0.15 0.00 0.11 0.00 -0.56 0.00 0.00 56.30 55.99 2isa h ASN 235 Cb 0.35 0.00 -0.21 0.00 -1.06 0.00 0.00 38.32 37.40 2isa h ASN 235 CO -0.02 0.91 -0.22 -0.62 -1.06 0.00 0.00 177.43 176.41 2isa s ASP 236 N -6.08 -1.28 0.00 5.81 2.15 0.31 -4.99 116.67 112.60 2isa s ASP 236 Ca -0.04 0.70 0.23 0.00 0.43 0.00 0.00 52.55 53.88 2isa s ASP 236 Cb 0.08 2.03 1.05 0.00 -0.30 0.00 0.00 42.92 45.78 2isa s ASP 236 CO 0.82 -0.24 1.76 0.54 -0.17 0.00 0.00 175.17 177.88 2isa n ARG 237 N 5.43 0.09 -0.58 4.34 3.00 -1.25 -3.81 116.66 123.87 2isa n ARG 237 Ca -0.01 0.09 0.02 0.00 -0.01 0.00 0.00 57.85 57.94 2isa n ARG 237 Cb 0.52 -1.50 0.21 0.00 0.00 0.00 0.00 32.46 31.69 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 -1.45 2.06 -0.24 5.56 -0.58 -1.26 -0.93 120.64 123.80 2isa n GLU 238 Ca 0.07 -3.01 0.11 0.00 -0.42 0.00 0.00 57.16 53.91 2isa n GLU 238 Cb 0.25 -1.77 0.39 0.00 -0.57 0.00 0.00 31.44 29.74 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 1.10 0.63 0.18 1.62 4.64 -1.94 -0.32 113.55 119.45 2isa h SER 239 Ca 0.11 0.03 -0.36 0.00 -0.47 0.00 0.00 61.79 61.10 2isa h SER 239 Cb 1.45 -0.10 0.00 0.00 -0.31 0.00 0.00 62.40 63.44 2isa h SER 239 CO 0.25 0.34 -1.83 0.45 -0.87 0.00 0.00 176.83 175.17 2isa h HIS 240 N 0.67 0.65 -0.43 4.77 3.86 -1.91 -1.81 115.15 120.95 2isa h HIS 240 Ca 0.41 -0.47 0.08 0.00 -1.16 0.00 0.00 60.37 59.24 2isa h HIS 240 Cb 0.64 -0.03 -0.08 0.00 1.06 0.00 0.00 27.41 29.01 2isa h HIS 240 CO -0.00 1.71 -0.06 0.37 0.86 0.00 0.00 177.93 180.81 2isa h GLN 241 N 0.10 0.04 -0.26 2.45 5.75 -1.92 -1.74 115.11 119.53 2isa h GLN 241 Ca -0.37 -0.00 0.04 0.00 -0.15 0.00 0.00 58.65 58.17 2isa h GLN 241 Cb 2.08 -0.01 -0.04 0.00 1.07 0.00 0.00 27.48 30.58 2isa h GLN 241 CO 0.15 0.03 0.01 -0.09 -2.65 0.00 0.00 178.83 176.28 2isa h ARG 242 N 0.04 0.09 -0.50 1.69 2.43 -0.99 -1.04 114.38 116.11 2isa h ARG 242 Ca 0.21 -0.01 -0.03 0.00 -0.81 0.00 0.00 59.98 59.35 2isa h ARG 242 Cb 0.32 -0.02 -0.02 0.00 -0.42 0.00 0.00 29.97 29.82 2isa h ARG 242 CO -0.41 0.06 0.21 0.22 -1.51 0.00 0.00 179.97 178.54 2isa h ASP 243 N 0.10 0.68 -0.13 -3.80 3.58 -1.21 -0.43 116.42 115.21 2isa h ASP 243 Ca 0.12 -0.16 -0.02 0.00 0.42 0.00 0.00 57.03 57.39 2isa h ASP 243 Cb 0.15 -0.18 -0.00 0.00 1.72 0.00 0.00 39.33 41.02 2isa h ASP 243 CO -0.20 0.65 0.01 0.25 -2.88 0.00 0.00 179.24 177.07 2isa h LEU 244 N 0.66 0.21 0.29 2.28 5.85 -0.97 -0.64 115.31 122.98 2isa h LEU 244 Ca 0.17 -0.29 -0.01 0.00 0.84 0.00 0.00 57.88 58.58 2isa h LEU 244 Cb 0.18 -0.06 -0.00 0.00 0.37 0.00 0.00 40.66 41.15 2isa h LEU 244 CO -0.01 0.45 -0.17 0.25 -0.34 0.00 0.00 178.44 178.62 2isa h LEU 245 N -0.04 -0.43 -0.47 2.25 5.85 -1.17 -2.24 115.31 119.07 2isa h LEU 245 Ca 0.04 0.03 -0.01 0.00 0.84 0.00 0.00 57.88 58.78 2isa h LEU 245 Cb 0.34 0.13 -0.02 0.00 0.37 0.00 0.00 40.66 41.48 2isa h LEU 245 CO 0.01 -0.28 0.27 0.44 -0.34 0.00 0.00 178.44 178.54 2isa h ASP 246 N -0.44 0.57 -0.35 1.25 3.32 -1.08 -0.87 116.42 118.81 2isa h ASP 246 Ca -0.03 -0.07 0.04 0.00 0.02 0.00 0.00 57.03 56.99 2isa h ASP 246 Cb 0.36 -0.14 -0.04 0.00 0.22 0.00 0.00 39.33 39.74 2isa h ASP 246 CO 0.03 0.47 0.14 0.28 -1.72 0.00 0.00 179.24 178.45 2isa h SER 247 N 0.62 0.18 -0.43 6.45 0.02 -1.06 0.14 113.55 119.46 2isa h SER 247 Ca 0.17 0.03 -0.14 0.00 -0.84 0.00 0.00 61.79 61.01 2isa h SER 247 Cb 0.02 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.55 2isa h SER 247 CO -0.03 0.14 -0.27 0.40 -1.14 0.00 0.00 176.83 175.93 2isa h ILE 248 N 0.30 1.27 -0.03 3.27 2.04 -1.29 0.16 117.51 123.24 2isa h ILE 248 Ca 0.16 -1.44 -0.02 0.00 1.00 0.00 0.00 64.86 64.55 2isa h ILE 248 Cb 0.11 1.21 -0.00 0.00 -0.74 0.00 0.00 36.82 37.40 2isa h ILE 248 CO -0.14 0.49 -0.10 0.44 0.00 0.00 0.00 178.15 178.84 2isa h ASP 249 N 0.81 0.04 -0.13 1.72 3.32 -0.82 -1.61 116.42 119.75 2isa h ASP 249 Ca 0.09 -0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.14 2isa h ASP 249 Cb 0.85 -0.01 0.00 0.00 0.22 0.00 0.00 39.33 40.39 2isa h ASP 249 CO 0.08 0.14 0.00 0.59 -1.72 0.00 0.00 179.24 178.33 2isa n ASN 250 N -4.40 1.16 -1.52 6.45 5.03 0.46 -4.92 115.26 117.52 2isa n ASN 250 Ca -0.02 -1.67 -0.16 0.00 0.87 0.00 0.00 54.58 53.60 2isa n ASN 250 Cb 0.19 -0.08 -0.04 0.00 -1.02 0.00 0.00 39.78 38.82 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 0.00 -1.19 -3.08 3.52 6.02 -0.61 -4.93 117.38 117.11 2isa n GLN 251 Ca 0.14 0.92 -0.44 0.00 -0.01 0.00 0.00 57.00 57.61 2isa n GLN 251 Cb 0.24 -5.20 0.00 0.00 1.02 0.00 0.00 30.24 26.30 2isa n GLN 251 CO 0.00 0.00 0.00 -3.47 -1.01 0.00 0.00 177.06 172.58 2isa n ASP 252 N -0.81 5.71 -4.65 1.08 4.64 0.50 -5.00 116.55 118.02 2isa n ASP 252 Ca -0.17 -3.15 -0.43 0.00 -1.38 0.00 0.00 54.79 49.66 2isa n ASP 252 Cb 0.58 -1.39 -0.02 0.00 -1.04 0.00 0.00 41.12 39.26 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 -1.14 2.91 0.37 -0.67 2.99 -1.26 -4.34 117.98 116.83 2isa s PHE 253 Ca 0.34 1.06 -0.26 0.00 0.00 0.00 0.00 56.93 58.07 2isa s PHE 253 Cb -0.02 -3.56 -0.09 0.00 0.00 0.00 0.00 43.02 39.35 2isa s PHE 253 CO -0.00 -1.46 1.13 -1.25 -0.00 0.00 0.00 175.22 173.64 2isa s PRO 254 N 3.60 4.21 0.15 0.24 0.04 -1.25 -4.80 135.00 137.20 2isa s PRO 254 Ca 0.53 1.76 0.08 0.00 0.04 0.00 0.00 61.00 63.40 2isa s PRO 254 Cb -0.19 -2.76 -0.04 0.00 0.04 0.00 0.00 34.50 31.55 2isa s PRO 254 CO 0.15 -0.16 -0.17 0.15 0.04 0.00 0.00 177.00 177.01 2isa s LYS 255 N -2.16 1.22 0.01 4.56 1.02 -1.26 -1.63 119.74 121.50 2isa s LYS 255 Ca 0.54 -1.37 0.01 0.00 0.02 0.00 0.00 55.97 55.18 2isa s LYS 255 Cb -0.29 -1.24 -0.01 0.00 -0.52 0.00 0.00 37.83 35.77 2isa s LYS 255 CO 0.37 0.25 -0.04 -1.58 -0.92 0.00 0.00 175.35 173.42 2isa s TRP 256 N -2.05 0.37 -0.27 3.18 0.51 -0.67 -1.18 118.94 118.83 2isa s TRP 256 Ca 0.14 -0.26 -0.12 0.00 -2.12 0.00 0.00 56.10 53.74 2isa s TRP 256 Cb -0.06 -0.24 -0.05 0.00 -0.81 0.00 0.00 33.47 32.32 2isa s TRP 256 CO 0.06 -0.06 0.22 0.99 -0.51 0.00 0.00 176.95 177.64 2isa s THR 257 N -0.68 5.30 -0.07 2.01 2.01 0.28 -1.31 115.64 123.18 2isa s THR 257 Ca -0.05 0.25 -0.30 0.00 0.31 0.00 0.00 61.69 61.90 2isa s THR 257 Cb -0.05 -3.56 -0.03 0.00 0.01 0.00 0.00 72.50 68.87 2isa s THR 257 CO -0.00 0.26 1.21 -0.22 -0.69 0.00 0.00 174.62 175.17 2isa s LEU 258 N 1.64 4.27 0.06 4.42 2.96 0.21 -0.87 118.68 131.36 2isa s LEU 258 Ca 0.09 1.80 0.05 0.00 -0.22 0.00 0.00 54.13 55.85 2isa s LEU 258 Cb -0.15 -3.56 -0.03 0.00 0.50 0.00 0.00 46.19 42.95 2isa s LEU 258 CO 0.09 -0.61 -0.14 -0.54 -1.32 0.00 0.00 176.35 173.84 2isa s LYS 259 N 2.37 0.85 0.10 1.98 1.02 0.26 -1.23 119.74 125.10 2isa s LYS 259 Ca 0.56 -0.88 0.08 0.00 0.02 0.00 0.00 55.97 55.74 2isa s LYS 259 Cb -0.24 -0.85 -0.03 0.00 -0.52 0.00 0.00 37.83 36.18 2isa s LYS 259 CO 0.21 0.20 -0.19 0.14 -0.92 0.00 0.00 175.35 174.79 2isa s VAL 260 N -1.12 1.60 -0.12 3.17 -7.23 -0.00 -0.89 120.40 115.80 2isa s VAL 260 Ca -0.01 -1.55 -0.04 0.00 -1.81 0.00 0.00 61.98 58.57 2isa s VAL 260 Cb -0.09 -1.50 -0.04 0.00 0.56 0.00 0.00 36.38 35.31 2isa s VAL 260 CO 0.02 -0.14 0.03 -1.10 -0.31 0.00 0.00 175.10 173.60 2isa s GLN 261 N -2.02 3.37 -0.11 4.82 -0.21 -0.83 -0.31 119.66 124.37 2isa s GLN 261 Ca 0.06 -0.36 0.00 0.00 0.02 0.00 0.00 55.36 55.08 2isa s GLN 261 Cb -0.09 -2.97 0.02 0.00 1.00 0.00 0.00 33.01 30.97 2isa s GLN 261 CO 0.04 0.56 -0.10 0.42 -2.12 0.00 0.00 175.29 174.09 2isa s ILE 262 N -0.47 1.16 -0.17 1.08 1.01 -1.26 -1.46 121.20 121.09 2isa s ILE 262 Ca 0.09 -0.39 0.01 0.00 0.00 0.00 0.00 60.65 60.36 2isa s ILE 262 Cb -0.12 -1.13 0.01 0.00 0.01 0.00 0.00 42.46 41.23 2isa s ILE 262 CO 0.02 0.39 -0.18 -0.32 0.00 0.00 0.00 174.94 174.84 2isa s MET 263 N 1.47 3.07 0.49 2.79 -2.45 0.74 -4.99 119.30 120.43 2isa s MET 263 Ca 0.01 -0.81 -0.24 0.00 -1.25 0.00 0.00 55.69 53.41 2isa s MET 263 Cb -0.13 -2.58 -0.07 0.00 1.25 0.00 0.00 34.83 33.30 2isa s MET 263 CO -0.06 -0.12 1.40 -2.30 1.05 0.00 0.00 175.02 174.98 2isa n PRO 264 N 4.41 2.00 -0.38 4.11 -0.02 -1.26 -0.65 135.00 143.20 2isa n PRO 264 Ca -0.20 0.72 0.29 0.00 -2.02 0.00 0.00 63.50 62.29 2isa n PRO 264 Cb 0.51 -2.60 0.56 0.00 -0.02 0.00 0.00 33.50 31.94 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 1.90 0.23 -0.01 -0.52 4.81 -1.93 -1.75 114.58 117.32 2isa h GLU 265 Ca -0.51 -0.01 -0.14 0.00 -0.13 0.00 0.00 59.36 58.56 2isa h GLU 265 Cb 1.29 -0.05 -0.02 0.00 0.63 0.00 0.00 28.75 30.59 2isa h GLU 265 CO 0.59 0.15 -0.68 0.00 -0.73 0.00 0.00 179.01 178.35 2isa h ALA 266 N 1.67 0.87 0.00 2.92 0.00 -1.91 -3.10 119.26 119.71 2isa h ALA 266 Ca 0.73 -0.61 -0.01 0.00 0.00 0.00 0.00 54.91 55.02 2isa h ALA 266 Cb 2.01 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 19.69 2isa h ALA 266 CO -0.43 0.84 -0.04 -0.44 0.00 0.00 0.00 179.25 179.18 2isa h ASP 267 N 0.02 0.00 -0.44 0.00 5.19 -1.67 -2.75 116.42 116.76 2isa h ASP 267 Ca -0.01 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.40 2isa h ASP 267 Cb 1.20 0.00 -0.02 0.00 0.18 0.00 0.00 39.33 40.69 2isa h ASP 267 CO 0.09 0.04 0.28 0.00 -3.12 0.00 0.00 179.24 176.53 2isa h ALA 268 N 1.96 1.66 0.00 3.45 0.00 -1.68 0.43 119.26 125.08 2isa h ALA 268 Ca -0.00 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.87 2isa h ALA 268 Cb 0.28 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 17.89 2isa h ALA 268 CO 0.01 0.31 0.00 0.00 0.00 0.00 0.00 179.25 179.57 2isa h ALA 269 N 1.70 1.00 0.00 0.00 0.00 -1.71 -3.38 119.26 116.87 2isa h ALA 269 Ca 0.16 0.00 -0.03 0.00 0.00 0.00 0.00 54.91 55.04 2isa h ALA 269 Cb -0.05 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.74 2isa h ALA 269 CO -0.03 0.00 -1.33 0.25 0.00 0.00 0.00 179.25 178.13 2isa n THR 270 N -3.00 0.12 -1.81 0.00 -2.24 -0.40 -5.03 114.28 101.92 2isa n THR 270 Ca 0.02 -0.18 -0.38 0.00 -2.27 0.00 0.00 64.05 61.24 2isa n THR 270 Cb 0.39 0.01 0.04 0.00 -2.10 0.00 0.00 70.33 68.68 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 -2.37 2.15 -1.00 2.28 -7.23 0.01 -4.91 120.40 109.33 2isa s VAL 271 Ca -0.03 0.11 0.17 0.00 -1.81 0.00 0.00 61.98 60.42 2isa s VAL 271 Cb 0.04 -3.05 0.14 0.00 0.56 0.00 0.00 36.38 34.07 2isa s VAL 271 CO 0.27 -0.01 1.55 -0.81 -0.31 0.00 0.00 175.10 175.79 2isa n PRO 272 N -1.20 0.00 -4.26 4.82 -0.04 -1.26 -4.75 135.00 128.31 2isa n PRO 272 Ca 0.11 0.21 -0.29 0.00 -0.04 0.00 0.00 63.50 63.49 2isa n PRO 272 Cb 0.46 -1.50 -0.10 0.00 -0.04 0.00 0.00 33.50 32.31 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 -3.00 2.65 -0.27 0.54 -0.85 -1.26 -5.07 117.35 110.08 2isa s TYR 273 Ca 0.08 -0.20 -0.29 0.00 -0.52 0.00 0.00 57.07 56.14 2isa s TYR 273 Cb 0.11 -1.38 -0.03 0.00 0.38 0.00 0.00 41.96 41.05 2isa s TYR 273 CO 0.31 0.43 1.79 1.21 -1.52 0.00 0.00 175.55 177.77 2isa s ASN 274 N -2.28 6.01 0.00 -0.18 2.47 -1.26 -4.85 114.94 114.85 2isa s ASN 274 Ca 0.21 1.50 0.20 0.00 0.42 0.00 0.00 52.86 55.18 2isa s ASN 274 Cb -0.11 -2.53 1.04 0.00 -1.45 0.00 0.00 41.25 38.21 2isa s ASN 274 CO 0.13 -1.58 1.62 -0.81 -3.72 0.00 0.00 177.10 172.74 2isa n PRO 275 N 8.21 0.34 -0.13 0.43 -0.04 -1.26 -2.55 135.00 140.00 2isa n PRO 275 Ca 0.22 0.08 0.06 0.00 -0.04 0.00 0.00 63.50 63.83 2isa n PRO 275 Cb 0.46 -1.50 0.13 0.00 -0.04 0.00 0.00 33.50 32.55 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 -1.24 0.34 -2.84 0.54 3.72 -1.26 -4.64 117.46 112.07 2isa n PHE 276 Ca 0.10 -0.33 -0.42 0.00 -0.05 0.00 0.00 57.45 56.74 2isa n PHE 276 Cb 0.14 -0.02 -0.04 0.00 -0.94 0.00 0.00 39.48 38.63 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 -1.01 6.67 0.49 4.37 -1.08 -1.06 -4.34 116.67 120.72 2isa s ASP 277 Ca 0.22 0.58 0.33 0.00 -0.52 0.00 0.00 52.55 53.16 2isa s ASP 277 Cb 0.12 -2.45 1.55 0.00 -1.46 0.00 0.00 42.92 40.68 2isa s ASP 277 CO 0.17 -0.80 1.99 0.25 0.52 0.00 0.00 175.17 177.30 2isa h LEU 278 N 9.92 0.00 -1.05 -1.34 5.85 -1.90 -1.98 115.31 124.81 2isa h LEU 278 Ca -0.23 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.49 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 0.96 0.00 0.00 0.35 -0.34 0.00 0.00 178.44 179.41 2isa n THR 279 N -2.80 0.30 -4.24 1.05 -2.24 -1.26 -2.45 114.28 102.65 2isa n THR 279 Ca -0.00 -0.36 -0.18 0.00 -2.27 0.00 0.00 64.05 61.23 2isa n THR 279 Cb 0.19 0.24 -0.13 0.00 -2.10 0.00 0.00 70.33 68.54 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 -1.70 0.82 0.38 -0.78 1.02 -0.75 -4.83 119.74 113.91 2isa s LYS 280 Ca 0.26 -0.82 0.07 0.00 0.02 0.00 0.00 55.97 55.50 2isa s LYS 280 Cb 0.14 -0.81 -0.00 0.00 -0.52 0.00 0.00 37.83 36.64 2isa s LYS 280 CO 0.20 0.19 0.50 0.14 -0.92 0.00 0.00 175.35 175.46 2isa s VAL 281 N -1.07 3.41 -0.21 3.17 -7.23 -1.26 -4.84 120.40 112.37 2isa s VAL 281 Ca -0.01 -1.04 -0.17 0.00 -1.81 0.00 0.00 61.98 58.95 2isa s VAL 281 Cb -0.09 -3.16 -0.04 0.00 0.56 0.00 0.00 36.38 33.65 2isa s VAL 281 CO 0.02 -0.07 0.44 0.26 -0.31 0.00 0.00 175.10 175.44 2isa s TRP 282 N -2.29 3.35 0.20 2.82 0.51 -1.26 -5.05 118.94 117.21 2isa s TRP 282 Ca 0.50 0.64 -0.33 0.00 -2.12 0.00 0.00 56.10 54.79 2isa s TRP 282 Cb -0.09 -2.59 -0.14 0.00 -0.81 0.00 0.00 33.47 29.84 2isa s TRP 282 CO 0.32 -0.08 1.46 -2.30 -0.51 0.00 0.00 176.95 175.84 2isa n PRO 283 N 4.75 2.00 0.26 4.98 -0.02 -1.26 -4.83 135.00 140.88 2isa n PRO 283 Ca -0.07 0.71 0.09 0.00 -2.02 0.00 0.00 63.50 62.21 2isa n PRO 283 Cb 0.51 -2.41 0.67 0.00 -0.02 0.00 0.00 33.50 32.24 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 4.91 0.00 -0.79 6.00 3.86 -1.98 -0.52 115.15 126.63 2isa h HIS 284 Ca -0.45 0.00 0.01 0.00 -1.16 0.00 0.00 60.37 58.77 2isa h HIS 284 Cb 1.27 0.00 -0.04 0.00 1.06 0.00 0.00 27.41 29.70 2isa h HIS 284 CO 0.59 0.01 0.52 0.87 0.86 0.00 0.00 177.93 180.78 2isa h LYS 285 N 0.00 1.05 0.06 2.45 1.57 -1.99 -2.27 116.57 117.44 2isa h LYS 285 Ca -0.00 -0.07 -0.16 0.00 -1.87 0.00 0.00 60.65 58.56 2isa h LYS 285 Cb 0.01 -0.24 0.02 0.00 0.08 0.00 0.00 32.23 32.10 2isa h LYS 285 CO 0.00 0.70 -0.64 -0.44 -0.57 0.00 0.00 179.45 178.49 2isa h ASP 286 N 1.08 0.47 -3.36 0.86 3.32 -1.64 -3.41 116.42 113.73 2isa h ASP 286 Ca 0.29 -0.85 -0.60 0.00 0.02 0.00 0.00 57.03 55.89 2isa h ASP 286 Cb -0.12 -0.15 -0.40 0.00 0.22 0.00 0.00 39.33 38.88 2isa h ASP 286 CO -0.06 1.27 -0.75 -0.31 -1.72 0.00 0.00 179.24 177.66 2isa s TYR 287 N -2.86 1.86 0.59 4.55 2.02 -0.31 -5.07 117.35 118.13 2isa s TYR 287 Ca -0.14 -2.21 -0.19 0.00 -0.37 0.00 0.00 57.07 54.16 2isa s TYR 287 Cb 0.02 -1.80 -0.03 0.00 -0.40 0.00 0.00 41.96 39.75 2isa s TYR 287 CO 0.82 -0.81 1.27 -2.14 -1.57 0.00 0.00 175.55 173.11 2isa s PRO 288 N 0.72 2.92 0.24 -1.71 0.02 -0.86 -4.37 135.00 131.97 2isa s PRO 288 Ca 0.16 2.00 -0.30 0.00 0.02 0.00 0.00 61.00 62.88 2isa s PRO 288 Cb -0.23 -2.01 -0.10 0.00 0.02 0.00 0.00 34.50 32.18 2isa s PRO 288 CO -0.06 -1.29 1.45 -0.51 -0.33 0.00 0.00 177.00 176.26 2isa s LEU 289 N -3.97 4.38 -0.21 -5.54 1.02 -1.26 -4.57 118.68 108.53 2isa s LEU 289 Ca 0.77 2.66 0.02 0.00 0.02 0.00 0.00 54.13 57.60 2isa s LEU 289 Cb -0.35 -3.62 0.04 0.00 0.02 0.00 0.00 46.19 42.27 2isa s LEU 289 CO 0.39 -0.71 -0.16 -0.63 0.02 0.00 0.00 176.35 175.26 2isa s ILE 290 N 0.06 2.11 0.35 -0.59 1.01 0.57 -4.89 121.20 119.82 2isa s ILE 290 Ca 0.60 -1.23 -0.28 0.00 0.00 0.00 0.00 60.65 59.74 2isa s ILE 290 Cb -0.42 -2.04 -0.10 0.00 0.01 0.00 0.00 42.46 39.92 2isa s ILE 290 CO 0.43 0.30 1.29 -0.70 0.00 0.00 0.00 174.94 176.26 2isa s GLU 291 N 1.21 4.28 0.00 2.79 2.12 -1.26 -0.82 118.70 127.02 2isa s GLU 291 Ca -0.01 2.17 0.00 0.00 0.36 0.00 0.00 54.97 57.49 2isa s GLU 291 Cb -0.16 -2.99 0.00 0.00 0.26 0.00 0.00 34.13 31.24 2isa s GLU 291 CO -0.10 -0.24 0.00 0.28 -0.54 0.00 0.00 175.26 174.67 2isa n VAL 292 N 0.64 0.00 -3.90 3.70 0.31 -0.36 -4.58 118.33 114.14 2isa n VAL 292 Ca 0.01 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.34 2isa n VAL 292 Cb 0.42 -1.05 0.00 0.00 -0.91 0.00 0.00 33.84 32.31 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 2.74 0.53 3.08 2.92 0.00 -1.15 -0.83 105.19 112.47 2isa n GLY 293 Ca 0.00 -0.85 -0.11 0.00 0.00 0.00 0.00 46.02 45.06 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 -2.00 0.57 0.20 1.61 -1.05 -0.75 0.63 118.70 117.91 2isa s GLU 294 Ca 0.04 -0.94 0.11 0.00 -0.15 0.00 0.00 54.97 54.03 2isa s GLU 294 Cb -0.00 -0.11 -0.04 0.00 -0.44 0.00 0.00 34.13 33.53 2isa s GLU 294 CO -0.00 -0.01 -0.23 -0.59 0.95 0.00 0.00 175.26 175.38 2isa s PHE 295 N -2.33 2.32 -0.02 4.83 -0.12 -0.43 -0.73 117.98 121.51 2isa s PHE 295 Ca -0.03 -0.35 0.03 0.00 -0.05 0.00 0.00 56.93 56.53 2isa s PHE 295 Cb -0.04 -1.14 -0.00 0.00 -0.63 0.00 0.00 43.02 41.22 2isa s PHE 295 CO -0.03 0.52 -0.11 -1.83 -0.05 0.00 0.00 175.22 173.73 2isa s GLU 296 N -2.76 1.07 -0.25 1.99 -1.05 -0.74 -1.68 118.70 115.29 2isa s GLU 296 Ca 0.22 -0.37 -0.17 0.00 -0.15 0.00 0.00 54.97 54.50 2isa s GLU 296 Cb -0.08 -0.99 -0.03 0.00 -0.44 0.00 0.00 34.13 32.59 2isa s GLU 296 CO 0.11 0.16 0.48 -0.51 0.95 0.00 0.00 175.26 176.44 2isa s LEU 297 N 0.07 4.07 0.00 1.83 1.43 -0.64 -1.43 118.68 124.01 2isa s LEU 297 Ca -0.01 0.49 0.00 0.00 -1.03 0.00 0.00 54.13 53.57 2isa s LEU 297 Cb -0.08 -2.61 0.00 0.00 0.03 0.00 0.00 46.19 43.53 2isa s LEU 297 CO 0.00 -0.24 0.42 -0.46 0.23 0.00 0.00 176.35 176.30 2isa n ASN 298 N 5.33 0.10 -3.66 2.29 0.23 0.07 -3.74 115.26 115.88 2isa n ASN 298 Ca -0.05 -1.04 -0.11 0.00 -0.53 0.00 0.00 54.58 52.84 2isa n ASN 298 Cb 0.50 0.00 -0.12 0.00 -2.08 0.00 0.00 39.78 38.09 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 -0.04 0.22 0.27 -3.83 3.52 -0.91 -5.01 118.95 113.17 2isa s ARG 299 Ca 0.00 0.87 -0.30 0.00 -0.13 0.00 0.00 55.73 56.17 2isa s ARG 299 Cb 0.00 0.12 -0.09 0.00 -1.56 0.00 0.00 34.95 33.41 2isa s ARG 299 CO 0.00 -0.28 1.10 -0.80 -0.81 0.00 0.00 175.30 174.51 2isa s ASN 300 N 2.50 7.27 0.69 -2.12 0.02 -1.26 -0.83 114.94 121.22 2isa s ASN 300 Ca 0.00 2.25 -0.17 0.00 -1.02 0.00 0.00 52.86 53.92 2isa s ASN 300 Cb -0.12 -2.62 0.01 0.00 0.02 0.00 0.00 41.25 38.53 2isa s ASN 300 CO -0.10 -0.15 1.17 -2.65 0.02 0.00 0.00 177.10 175.39 2isa n PRO 301 N 1.34 0.79 0.09 -0.60 -0.02 -1.26 -4.92 135.00 130.41 2isa n PRO 301 Ca -0.01 0.33 -0.13 0.00 -2.02 0.00 0.00 63.50 61.67 2isa n PRO 301 Cb 0.45 -2.41 -0.13 0.00 -0.02 0.00 0.00 33.50 31.38 2isa n PRO 301 CO 0.00 0.00 0.00 1.96 1.98 0.00 0.00 175.50 179.44 2isa h GLN 302 N 0.09 0.19 -4.09 -0.52 1.08 -2.01 -3.44 115.11 106.42 2isa h GLN 302 Ca -0.49 -0.33 -0.55 0.00 -1.45 0.00 0.00 58.65 55.83 2isa h GLN 302 Cb 1.33 0.12 -0.38 0.00 -0.05 0.00 0.00 27.48 28.51 2isa h GLN 302 CO 0.50 1.14 -0.79 1.21 -0.95 0.00 0.00 178.83 179.95 2isa s ASN 303 N -7.00 2.89 0.16 1.46 3.84 -1.26 -5.04 114.94 109.98 2isa s ASN 303 Ca -0.03 -0.71 -0.15 0.00 0.21 0.00 0.00 52.86 52.18 2isa s ASN 303 Cb 0.08 -0.88 0.03 0.00 -0.55 0.00 0.00 41.25 39.93 2isa s ASN 303 CO 0.86 -0.20 1.79 0.22 -2.79 0.00 0.00 177.10 176.98 2isa h TYR 304 N 8.12 0.62 0.10 0.43 5.03 -1.98 -2.20 116.97 127.10 2isa h TYR 304 Ca -0.22 -0.00 -0.00 0.00 2.58 0.00 0.00 58.73 61.08 2isa h TYR 304 Cb 1.11 -0.20 0.00 0.00 1.55 0.00 0.00 36.73 39.19 2isa h TYR 304 CO 0.43 0.44 -0.05 0.35 -1.32 0.00 0.00 178.16 178.02 2isa h PHE 305 N 0.62 -0.12 -0.43 -3.82 3.57 -1.96 0.98 116.94 115.78 2isa h PHE 305 Ca 0.17 -0.00 -0.09 0.00 3.53 0.00 0.00 57.97 61.57 2isa h PHE 305 Cb 0.00 0.04 -0.02 0.00 2.79 0.00 0.00 35.95 38.77 2isa h PHE 305 CO -0.03 -0.04 -0.10 0.00 -2.23 0.00 0.00 178.31 175.91 2isa h ALA 306 N 0.74 1.01 0.00 2.41 0.00 -1.96 -2.13 119.26 119.33 2isa h ALA 306 Ca -0.01 -0.31 -0.20 0.00 0.00 0.00 0.00 54.91 54.38 2isa h ALA 306 Cb 0.13 -0.17 -0.04 0.00 0.00 0.00 0.00 17.79 17.71 2isa h ALA 306 CO 0.02 0.60 -1.83 0.39 0.00 0.00 0.00 179.25 178.43 2isa n GLU 307 N -4.17 1.80 -0.08 0.00 1.02 -0.83 -4.30 120.64 114.08 2isa n GLU 307 Ca 0.01 -0.02 -0.15 0.00 -0.02 0.00 0.00 57.16 56.99 2isa n GLU 307 Cb 0.36 -1.32 -0.05 0.00 -0.02 0.00 0.00 31.44 30.41 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 -2.41 1.21 -0.20 2.62 0.31 0.21 -3.99 118.33 116.09 2isa n VAL 308 Ca -0.18 -0.07 -0.05 0.00 -0.01 0.00 0.00 64.34 64.03 2isa n VAL 308 Cb 0.84 -1.91 0.05 0.00 -0.91 0.00 0.00 33.84 31.91 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 -0.70 0.69 0.00 5.55 4.57 -1.14 -1.99 114.58 121.57 2isa h GLU 309 Ca -0.29 -0.04 0.00 0.00 -1.18 0.00 0.00 59.36 57.85 2isa h GLU 309 Cb 1.13 -0.16 0.00 0.00 -0.16 0.00 0.00 28.75 29.56 2isa h GLU 309 CO -0.18 0.46 0.00 1.04 -1.18 0.00 0.00 179.01 179.15 2isa n GLN 310 N -4.74 0.49 -1.83 1.92 6.02 -0.81 -4.87 117.38 113.57 2isa n GLN 310 Ca 0.05 0.02 -0.41 0.00 -0.01 0.00 0.00 57.00 56.65 2isa n GLN 310 Cb 0.06 -1.50 -0.00 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 -2.46 3.59 -0.09 -1.58 0.00 -0.75 -4.90 121.76 115.56 2isa s ALA 311 Ca 0.30 1.55 -0.01 0.00 0.00 0.00 0.00 51.96 53.79 2isa s ALA 311 Cb 0.19 -3.60 0.03 0.00 0.00 0.00 0.00 23.12 19.73 2isa s ALA 311 CO 0.41 -1.01 -0.03 0.00 0.00 0.00 0.00 175.76 175.12 2isa s ALA 312 N -0.99 0.98 -0.19 0.00 0.00 -1.26 -5.04 121.76 115.27 2isa s ALA 312 Ca 0.54 -0.32 -0.04 0.00 0.00 0.00 0.00 51.96 52.14 2isa s ALA 312 Cb -0.46 -0.83 -0.02 0.00 0.00 0.00 0.00 23.12 21.82 2isa s ALA 312 CO 0.60 -0.45 -0.05 -0.06 0.00 0.00 0.00 175.76 175.80 2isa s PHE 313 N 1.86 2.96 -0.26 0.00 0.40 -1.26 -4.95 117.98 116.73 2isa s PHE 313 Ca 0.05 -0.68 -0.00 0.00 -0.60 0.00 0.00 56.93 55.70 2isa s PHE 313 Cb -0.12 -2.04 0.04 0.00 0.51 0.00 0.00 43.02 41.41 2isa s PHE 313 CO -0.07 -0.34 -0.07 1.21 0.70 0.00 0.00 175.22 176.65 2isa s ASN 314 N 1.02 4.42 0.54 1.36 3.04 -1.26 -4.92 114.94 119.14 2isa s ASN 314 Ca 0.01 -1.13 0.32 0.00 0.04 0.00 0.00 52.86 52.09 2isa s ASN 314 Cb -0.15 -1.63 1.48 0.00 -1.54 0.00 0.00 41.25 39.42 2isa s ASN 314 CO 0.00 -0.17 1.89 -0.65 -3.04 0.00 0.00 177.10 175.12 2isa h PRO 315 N 7.93 0.00 0.00 0.43 0.11 -1.85 0.34 132.00 138.95 2isa h PRO 315 Ca -0.26 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.85 2isa h PRO 315 Cb 1.08 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.19 2isa h PRO 315 CO 0.53 0.00 0.00 0.00 -0.21 0.00 0.00 178.00 178.32 2isa h ALA 316 N 1.54 1.00 -1.01 -0.75 0.00 -1.86 -3.39 119.26 114.78 2isa h ALA 316 Ca 0.42 0.00 -0.61 0.00 0.00 0.00 0.00 54.91 54.71 2isa h ALA 316 Cb 1.70 0.00 -0.09 0.00 0.00 0.00 0.00 17.79 19.40 2isa h ALA 316 CO -0.00 0.00 1.70 -0.80 0.00 0.00 0.00 179.25 180.15 2isa s ASN 317 N -4.81 6.55 0.46 0.00 0.02 0.12 -4.94 114.94 112.33 2isa s ASN 317 Ca -0.00 -1.76 0.06 0.00 -1.02 0.00 0.00 52.86 50.14 2isa s ASN 317 Cb 0.09 -2.57 -0.03 0.00 0.02 0.00 0.00 41.25 38.76 2isa s ASN 317 CO 0.40 -1.46 0.21 -0.69 0.02 0.00 0.00 177.10 175.57 2isa s VAL 318 N 4.98 2.00 0.13 1.60 1.01 -1.26 -0.77 120.40 128.08 2isa s VAL 318 Ca 0.50 -1.69 0.05 0.00 0.00 0.00 0.00 61.98 60.84 2isa s VAL 318 Cb 0.01 -2.69 -0.04 0.00 0.00 0.00 0.00 36.38 33.67 2isa s VAL 318 CO -0.04 0.00 -0.12 0.68 0.00 0.00 0.00 175.10 175.63 2isa s VAL 319 N -2.68 1.18 0.07 2.92 -7.23 -1.26 -4.80 120.40 108.61 2isa s VAL 319 Ca 0.34 -1.84 -0.36 0.00 -1.81 0.00 0.00 61.98 58.31 2isa s VAL 319 Cb 0.02 -1.61 -0.16 0.00 0.56 0.00 0.00 36.38 35.19 2isa s VAL 319 CO 0.19 -0.58 1.41 -2.65 -0.31 0.00 0.00 175.10 173.16 2isa n PRO 320 N 0.25 1.31 0.00 4.82 -0.02 -1.26 -1.01 135.00 139.09 2isa n PRO 320 Ca -0.13 0.47 0.00 0.00 -2.02 0.00 0.00 63.50 61.82 2isa n PRO 320 Cb 0.59 -2.14 0.00 0.00 -0.02 0.00 0.00 33.50 31.93 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 2.78 0.41 2.83 -1.23 0.00 -1.26 -3.24 105.19 105.48 2isa n GLY 321 Ca 0.19 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 46.00 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 -2.00 0.43 0.00 -0.61 1.01 -0.18 -1.41 121.20 118.44 2isa s ILE 322 Ca 0.00 0.01 0.00 0.00 0.00 0.00 0.00 60.65 60.66 2isa s ILE 322 Cb 0.00 -0.53 0.00 0.00 0.01 0.00 0.00 42.46 41.94 2isa s ILE 322 CO 0.00 0.24 0.00 -0.24 0.00 0.00 0.00 174.94 174.94 2isa n SER 323 N 4.60 0.30 -1.47 3.58 2.88 0.19 -4.01 113.62 119.69 2isa n SER 323 Ca -0.16 -0.69 0.00 0.00 -1.33 0.00 0.00 58.87 56.68 2isa n SER 323 Cb 0.50 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.96 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 -1.65 -3.79 0.66 3.72 -1.26 -1.54 117.46 113.60 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 -0.13 0.00 4.37 1.04 -1.26 -3.17 113.70 113.56 2isa s SER 325 Ca 0.00 -0.58 0.00 0.00 0.48 0.00 0.00 55.95 55.85 2isa s SER 325 Cb 0.00 0.49 0.00 0.00 0.10 0.00 0.00 66.02 66.61 2isa s SER 325 CO 0.00 -0.93 0.45 -0.81 0.98 0.00 0.00 173.24 172.93 2isa n PRO 326 N -0.25 0.83 -1.64 4.02 -0.04 -1.26 -4.58 135.00 132.08 2isa n PRO 326 Ca -0.11 0.00 -0.46 0.00 -0.04 0.00 0.00 63.50 62.89 2isa n PRO 326 Cb 0.63 -1.38 -0.04 0.00 -0.04 0.00 0.00 33.50 32.67 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 0.04 3.44 -0.04 3.54 -0.08 -1.26 -4.84 116.55 117.35 2isa n ASP 327 Ca 0.00 0.76 0.01 0.00 -1.51 0.00 0.00 54.79 54.05 2isa n ASP 327 Cb 0.19 -1.43 0.32 0.00 2.34 0.00 0.00 41.12 42.54 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 10.90 0.62 -0.68 -0.67 1.57 -1.79 -1.08 116.57 125.44 2isa h LYS 328 Ca -0.45 -0.09 0.01 0.00 -1.87 0.00 0.00 60.65 58.24 2isa h LYS 328 Cb 1.26 -0.11 -0.03 0.00 0.08 0.00 0.00 32.23 33.43 2isa h LYS 328 CO 0.96 0.53 0.45 0.52 -0.57 0.00 0.00 179.45 181.34 2isa h MET 329 N 0.61 0.89 -0.36 3.15 2.86 -1.89 -2.08 114.93 118.11 2isa h MET 329 Ca 0.15 -0.05 -0.04 0.00 -2.06 0.00 0.00 59.70 57.70 2isa h MET 329 Cb 0.16 -0.20 -0.01 0.00 0.06 0.00 0.00 31.60 31.61 2isa h MET 329 CO -0.01 0.59 0.08 1.25 1.06 0.00 0.00 176.91 179.87 2isa h LEU 330 N 0.91 0.56 -0.49 1.22 5.85 -1.61 -2.73 115.31 119.04 2isa h LEU 330 Ca 0.25 -0.24 0.10 0.00 0.84 0.00 0.00 57.88 58.82 2isa h LEU 330 Cb -0.10 -0.15 -0.08 0.00 0.37 0.00 0.00 40.66 40.70 2isa h LEU 330 CO -0.06 0.66 -0.02 1.56 -0.34 0.00 0.00 178.44 180.25 2isa h GLN 331 N 0.44 0.09 -0.92 1.25 1.08 -0.99 -1.86 115.11 114.20 2isa h GLN 331 Ca 0.11 -0.01 -0.01 0.00 -1.45 0.00 0.00 58.65 57.30 2isa h GLN 331 Cb 0.32 -0.02 -0.04 0.00 -0.05 0.00 0.00 27.48 27.69 2isa h GLN 331 CO 0.00 0.06 0.54 0.78 -0.95 0.00 0.00 178.83 179.26 2isa h GLY 332 N 0.10 1.35 2.00 3.46 0.00 -1.27 -1.73 103.07 106.98 2isa h GLY 332 Ca 0.24 -0.58 -0.02 0.00 0.00 0.00 0.00 47.33 46.97 2isa h GLY 332 CO -0.42 0.56 -0.09 3.21 0.00 0.00 0.00 176.54 179.80 2isa h ARG 333 N 1.28 0.00 0.00 4.80 3.08 -1.04 -2.02 114.38 120.48 2isa h ARG 333 Ca 0.33 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 60.37 2isa h ARG 333 Cb -0.03 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.02 2isa h ARG 333 CO -0.06 0.09 -0.03 -0.07 -1.07 0.00 0.00 179.97 178.83 2isa h LEU 334 N 0.00 0.00 0.03 3.04 3.38 -0.73 -3.08 115.31 117.94 2isa h LEU 334 Ca -0.00 0.00 -0.34 0.00 0.09 0.00 0.00 57.88 57.63 2isa h LEU 334 Cb 0.27 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 40.97 2isa h LEU 334 CO 0.01 0.03 -1.90 0.33 0.09 0.00 0.00 178.44 177.00 2isa n PHE 335 N -3.33 0.69 0.16 1.13 7.35 -0.78 -4.75 117.46 117.93 2isa n PHE 335 Ca -0.02 0.24 0.01 0.00 -0.76 0.00 0.00 57.45 56.92 2isa n PHE 335 Cb 0.16 -1.08 0.29 0.00 0.35 0.00 0.00 39.48 39.21 2isa n PHE 335 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 2isa h ALA 336 N -0.44 1.25 0.06 3.13 0.00 -1.41 -3.06 119.26 118.80 2isa h ALA 336 Ca -0.49 -0.40 -0.00 0.00 0.00 0.00 0.00 54.91 54.03 2isa h ALA 336 Cb 1.62 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 19.34 2isa h ALA 336 CO -0.19 0.55 -0.03 1.88 0.00 0.00 0.00 179.25 181.46 2isa h TYR 337 N 0.05 -0.08 -0.72 0.00 -1.99 -1.85 0.26 116.97 112.63 2isa h TYR 337 Ca 0.00 -0.00 0.13 0.00 2.00 0.00 0.00 58.73 60.86 2isa h TYR 337 Cb 0.77 0.03 -0.09 0.00 2.00 0.00 0.00 36.73 39.44 2isa h TYR 337 CO 0.00 0.51 0.29 0.78 -0.00 0.00 0.00 178.16 179.75 2isa h GLY 338 N -0.85 1.08 0.94 3.88 0.00 -1.86 0.10 103.07 106.35 2isa h GLY 338 Ca -0.01 -0.15 -0.01 0.00 0.00 0.00 0.00 47.33 47.16 2isa h GLY 338 CO 0.01 -0.06 -0.18 -1.80 0.00 0.00 0.00 176.54 174.51 2isa h ASP 339 N 0.46 -0.45 -0.45 0.19 3.58 -1.56 -0.26 116.42 117.92 2isa h ASP 339 Ca 0.39 0.02 -0.03 0.00 0.42 0.00 0.00 57.03 57.83 2isa h ASP 339 Cb 0.55 0.13 -0.02 0.00 1.72 0.00 0.00 39.33 41.70 2isa h ASP 339 CO -0.37 -0.30 0.19 0.00 -2.88 0.00 0.00 179.24 175.88 2isa h ALA 340 N 0.19 1.39 0.03 -0.78 0.00 -0.62 -2.78 119.26 116.69 2isa h ALA 340 Ca -0.04 -0.14 -0.23 0.00 0.00 0.00 0.00 54.91 54.50 2isa h ALA 340 Cb 0.39 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 17.97 2isa h ALA 340 CO 0.05 0.46 -1.00 1.96 0.00 0.00 0.00 179.25 180.71 2isa h GLN 341 N 0.72 0.36 -0.68 0.00 4.20 -0.63 -0.35 115.11 118.74 2isa h GLN 341 Ca 0.17 -0.43 -0.02 0.00 0.06 0.00 0.00 58.65 58.44 2isa h GLN 341 Cb 0.16 0.13 -0.03 0.00 0.30 0.00 0.00 27.48 28.04 2isa h GLN 341 CO -0.01 1.12 0.35 0.00 -0.67 0.00 0.00 178.83 179.61 2isa h ARG 342 N 0.19 0.95 0.20 1.46 3.08 -0.98 0.11 114.38 119.40 2isa h ARG 342 Ca -0.09 -0.12 -0.01 0.00 0.07 0.00 0.00 59.98 59.83 2isa h ARG 342 Cb 1.65 -0.18 0.00 0.00 0.08 0.00 0.00 29.97 31.53 2isa h ARG 342 CO 0.17 0.73 -0.10 -0.92 -1.07 0.00 0.00 179.97 178.78 2isa h TYR 343 N 0.93 -0.25 -0.52 3.04 3.20 -1.47 -1.36 116.97 120.53 2isa h TYR 343 Ca 0.24 -0.01 -0.10 0.00 3.14 0.00 0.00 58.73 62.00 2isa h TYR 343 Cb 0.07 0.08 -0.02 0.00 1.54 0.00 0.00 36.73 38.41 2isa h TYR 343 CO -0.00 -0.05 -0.07 -0.09 -1.64 0.00 0.00 178.16 176.31 2isa h ARG 344 N -0.41 0.96 0.00 1.82 2.43 -0.97 -3.37 114.38 114.84 2isa h ARG 344 Ca -0.03 -0.34 0.00 0.00 -0.81 0.00 0.00 59.98 58.80 2isa h ARG 344 Cb 0.32 -0.07 0.00 0.00 -0.42 0.00 0.00 29.97 29.80 2isa h ARG 344 CO 0.05 1.01 -0.35 1.28 -1.51 0.00 0.00 179.97 180.44 2isa n LEU 345 N -4.23 0.23 0.00 3.80 4.77 0.38 -4.55 117.00 117.40 2isa n LEU 345 Ca 0.01 -0.45 0.00 0.00 -0.03 0.00 0.00 56.01 55.54 2isa n LEU 345 Cb 0.37 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.46 2isa n LEU 345 CO 0.44 0.06 0.00 0.61 -1.33 0.00 0.00 177.39 177.17 2isa n GLY 346 N 1.23 2.26 0.27 -0.72 0.00 -0.51 -4.50 105.19 103.22 2isa n GLY 346 Ca 0.01 -1.74 0.05 0.00 0.00 0.00 0.00 46.02 44.33 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 1.09 -0.45 1.61 3.04 -1.87 -2.56 116.25 117.12 2isa h VAL 347 Ca 0.00 -0.32 -0.09 0.00 -1.01 0.00 0.00 66.70 65.28 2isa h VAL 347 Cb 0.00 0.93 -0.05 0.00 -2.01 0.00 0.00 31.29 30.15 2isa h VAL 347 CO 0.00 0.11 0.12 0.59 -1.01 0.00 0.00 177.57 177.38 2isa n ASN 348 N -4.43 3.91 0.20 3.17 3.02 -1.26 -4.58 115.26 115.29 2isa n ASN 348 Ca -0.00 -2.72 0.14 0.00 -0.03 0.00 0.00 54.58 51.96 2isa n ASN 348 Cb 0.14 -0.65 0.72 0.00 -0.61 0.00 0.00 39.78 39.38 2isa n ASN 348 CO 0.00 0.00 0.00 1.12 -2.62 0.00 0.00 177.26 175.76 2isa h HIS 349 N 2.05 0.00 -0.00 3.10 2.07 -1.68 -0.55 115.15 120.13 2isa h HIS 349 Ca 0.11 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.63 2isa h HIS 349 Cb 1.67 0.00 0.00 0.00 2.57 0.00 0.00 27.41 31.65 2isa h HIS 349 CO 0.80 0.00 -0.01 1.04 -3.07 0.00 0.00 177.93 176.69 2isa n GLN 350 N -2.46 0.85 0.00 5.12 6.02 -1.26 -1.95 117.38 123.70 2isa n GLN 350 Ca -0.01 -0.05 0.13 0.00 -0.01 0.00 0.00 57.00 57.06 2isa n GLN 350 Cb 0.07 -1.50 0.42 0.00 1.02 0.00 0.00 30.24 30.26 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 -1.04 0.00 -2.07 1.08 8.25 -0.21 -3.09 115.22 118.13 2isa n HIS 351 Ca 0.21 0.00 -0.42 0.00 -0.26 0.00 0.00 57.72 57.24 2isa n HIS 351 Cb 0.16 -0.35 -0.03 0.00 1.12 0.00 0.00 29.99 30.89 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 -2.98 3.36 0.26 1.59 1.01 -0.82 -4.84 121.20 118.77 2isa s ILE 352 Ca 0.13 0.78 -0.11 0.00 0.00 0.00 0.00 60.65 61.45 2isa s ILE 352 Cb 0.18 -3.50 0.37 0.00 0.01 0.00 0.00 42.46 39.52 2isa s ILE 352 CO 0.62 -0.00 1.57 -0.65 0.00 0.00 0.00 174.94 176.48 2isa h PRO 353 N 8.04 -0.01 -0.17 2.79 0.11 -1.89 0.25 132.00 141.12 2isa h PRO 353 Ca -0.40 0.00 0.05 0.00 0.11 0.00 0.00 66.00 65.76 2isa h PRO 353 Cb 1.19 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.30 2isa h PRO 353 CO 0.92 -0.01 0.13 -0.24 -0.21 0.00 0.00 178.00 178.59 2isa h VAL 354 N -0.01 0.88 0.00 3.15 3.04 -1.89 -1.81 116.25 119.61 2isa h VAL 354 Ca 0.42 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 66.11 2isa h VAL 354 Cb 0.66 0.91 0.00 0.00 -2.01 0.00 0.00 31.29 30.85 2isa h VAL 354 CO -0.96 0.00 -0.86 0.59 -1.01 0.00 0.00 177.57 175.33 2isa n ASN 355 N -4.43 0.70 -4.77 3.17 3.02 0.79 -4.95 115.26 108.79 2isa n ASN 355 Ca 0.01 0.08 -0.40 0.00 -0.03 0.00 0.00 54.58 54.24 2isa n ASN 355 Cb 0.26 0.45 -0.02 0.00 -0.61 0.00 0.00 39.78 39.87 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 -3.23 3.32 0.74 5.41 0.00 -0.68 -4.87 121.76 122.43 2isa s ALA 356 Ca 0.03 1.15 -0.14 0.00 0.00 0.00 0.00 51.96 53.00 2isa s ALA 356 Cb 0.13 -3.45 0.04 0.00 0.00 0.00 0.00 23.12 19.84 2isa s ALA 356 CO 0.77 -0.64 1.17 -2.14 0.00 0.00 0.00 175.76 174.91 2isa s PRO 357 N -2.05 2.19 -0.34 0.00 0.02 -1.26 -4.95 135.00 128.61 2isa s PRO 357 Ca 0.53 1.59 0.07 0.00 0.02 0.00 0.00 61.00 63.21 2isa s PRO 357 Cb -0.36 -1.86 0.47 0.00 0.02 0.00 0.00 34.50 32.77 2isa s PRO 357 CO 0.47 -1.76 1.39 0.54 -0.33 0.00 0.00 177.00 177.31 2isa n ARG 358 N -2.87 2.77 -4.11 5.54 1.74 -1.26 -4.98 116.66 113.49 2isa n ARG 358 Ca 0.12 -3.69 -0.11 0.00 -0.77 0.00 0.00 57.85 53.41 2isa n ARG 358 Cb 0.51 -2.08 -0.08 0.00 -1.02 0.00 0.00 32.46 29.79 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 -0.31 2.64 -4.42 0.00 -0.02 -1.26 -5.01 135.00 126.62 2isa n PRO 360 Ca 0.00 0.94 -0.19 0.00 -2.02 0.00 0.00 63.50 62.22 2isa n PRO 360 Cb 0.64 -2.69 -0.15 0.00 -0.02 0.00 0.00 33.50 31.28 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 -0.33 0.79 -0.49 -1.45 0.11 -1.26 -4.93 120.40 112.84 2isa s VAL 361 Ca 0.61 -0.43 0.06 0.00 -2.93 0.00 0.00 61.98 59.30 2isa s VAL 361 Cb -0.50 -0.66 0.20 0.00 -1.53 0.00 0.00 36.38 33.89 2isa s VAL 361 CO 0.53 0.22 0.69 1.57 -3.33 0.00 0.00 175.10 174.79 2isa n HIS 362 N 2.85 -3.06 0.70 1.54 -0.00 -1.26 -5.06 115.22 110.94 2isa n HIS 362 Ca -0.14 -1.90 0.12 0.00 -0.00 0.00 0.00 57.72 55.81 2isa n HIS 362 Cb 0.56 1.20 0.23 0.00 -0.00 0.00 0.00 29.99 31.98 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 2.52 2.97 0.00 0.26 3.41 -1.26 -4.98 113.62 116.54 2isa n SER 363 Ca 0.18 -1.93 0.00 0.00 -0.26 0.00 0.00 58.87 56.86 2isa n SER 363 Cb 0.56 -0.15 0.00 0.00 -0.26 0.00 0.00 64.21 64.37 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 1.22 0.00 -1.75 7.33 9.36 -1.26 -4.95 117.16 127.10 2isa n TYR 364 Ca 0.17 0.00 -0.42 0.00 3.32 0.00 0.00 57.90 60.98 2isa n TYR 364 Cb 0.55 0.00 -0.02 0.00 -0.63 0.00 0.00 39.34 39.25 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 2.89 -4.28 2.98 -0.00 -1.26 -4.99 115.22 110.56 2isa n HIS 365 Ca 0.00 0.21 -0.26 0.00 -0.00 0.00 0.00 57.72 57.67 2isa n HIS 365 Cb 0.00 -2.62 -0.09 0.00 -0.00 0.00 0.00 29.99 27.28 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 -0.26 2.14 5.40 -0.41 1.81 -1.26 -5.00 118.95 121.37 2isa s ARG 366 Ca 0.65 -1.27 0.00 0.00 -1.72 0.00 0.00 55.73 53.39 2isa s ARG 366 Cb -0.49 -2.18 0.00 0.00 -0.45 0.00 0.00 34.95 31.83 2isa s ARG 366 CO 0.46 0.43 0.00 -0.25 -0.68 0.00 0.00 175.30 175.26 2isa n ASP 367 N -0.12 0.00 0.00 0.23 8.00 -1.26 -5.04 116.55 118.36 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 0.56 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.66 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 -1.49 3.64 0.44 0.00 -1.26 -4.79 105.19 101.73 2isa n GLY 368 Ca 0.00 -1.51 -0.42 0.00 0.00 0.00 0.00 46.02 44.09 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 -0.90 0.51 -3.54 4.61 0.00 -1.26 -3.56 120.51 116.37 2isa n ALA 369 Ca 0.00 0.31 -0.23 0.00 0.00 0.00 0.00 53.44 53.52 2isa n ALA 369 Cb 0.00 -2.13 0.05 0.00 0.00 0.00 0.00 19.45 17.37 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 0.40 -2.94 -2.86 0.00 2.81 -1.26 -4.45 117.12 108.81 2isa n MET 370 Ca 0.08 0.65 -0.43 0.00 -1.81 0.00 0.00 57.70 56.19 2isa n MET 370 Cb 0.36 -5.06 -0.04 0.00 -0.71 0.00 0.00 33.22 27.77 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 -5.46 3.39 0.00 0.03 6.06 -1.23 -4.87 118.95 116.87 2isa s ARG 371 Ca 0.30 -0.14 0.04 0.00 -2.50 0.00 0.00 55.73 53.44 2isa s ARG 371 Cb -0.08 -4.00 -0.01 0.00 0.06 0.00 0.00 34.95 30.92 2isa s ARG 371 CO 0.80 -1.35 0.38 1.33 -2.50 0.00 0.00 175.30 173.96 2isa n VAL 372 N 6.24 0.00 1.35 7.11 0.24 -1.26 -4.70 118.33 127.31 2isa n VAL 372 Ca 0.03 -0.44 0.13 0.00 -2.04 0.00 0.00 64.34 62.01 2isa n VAL 372 Cb 0.48 1.04 0.44 0.00 -1.47 0.00 0.00 33.84 34.33 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 -0.52 1.74 0.00 -1.34 5.75 -1.26 -4.92 116.55 116.01 2isa n ASP 373 Ca 0.02 -1.61 0.00 0.00 -0.01 0.00 0.00 54.79 53.19 2isa n ASP 373 Cb 0.09 -0.03 0.00 0.00 -1.03 0.00 0.00 41.12 40.14 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 1.19 1.25 2.46 6.12 0.00 -1.26 -4.58 105.19 110.37 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 -5.81 -1.09 1.61 5.15 -1.26 -1.05 115.26 112.81 2isa n ASN 375 Ca 0.00 0.14 -0.14 0.00 -0.60 0.00 0.00 54.58 53.98 2isa n ASN 375 Cb 0.00 -4.91 -0.06 0.00 -0.53 0.00 0.00 39.78 34.28 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 -3.53 0.00 0.00 1.20 3.01 -1.26 -4.84 117.46 112.04 2isa n PHE 376 Ca -0.24 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.22 2isa n PHE 376 Cb 0.69 -2.54 0.00 0.00 -0.01 0.00 0.00 39.48 37.62 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 -1.22 3.13 0.31 1.37 0.00 -0.22 -1.98 105.19 106.59 2isa n GLY 377 Ca -0.14 0.05 0.14 0.00 0.00 0.00 0.00 46.02 46.06 2isa n GLY 377 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2isa n SER 378 N 3.71 0.98 -4.64 1.61 7.64 -1.26 -4.93 113.62 116.72 2isa n SER 378 Ca 0.00 -1.36 -0.49 0.00 1.01 0.00 0.00 58.87 58.03 2isa n SER 378 Cb 0.00 -0.01 -0.05 0.00 -1.01 0.00 0.00 64.21 63.14 2isa n SER 378 CO 0.00 0.00 0.00 0.41 -3.01 0.00 0.00 175.04 172.44 2isa n THR 379 N -0.22 0.08 -1.01 0.44 -1.04 -0.84 -4.92 114.28 106.77 2isa n THR 379 Ca 0.20 -0.01 -0.34 0.00 -2.04 0.00 0.00 64.05 61.86 2isa n THR 379 Cb 0.26 -1.29 0.12 0.00 -1.82 0.00 0.00 70.33 67.60 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 3.54 2.05 -0.45 -4.42 -0.00 -1.26 -4.96 117.00 111.51 2isa n LEU 380 Ca 0.19 0.50 0.05 0.00 -0.00 0.00 0.00 56.01 56.74 2isa n LEU 380 Cb 0.24 -1.34 0.07 0.00 -0.00 0.00 0.00 43.42 42.38 2isa n LEU 380 CO 0.65 -2.67 0.46 0.61 -0.00 0.00 0.00 177.39 176.45 2isa n GLY 381 N 1.08 0.38 3.43 1.47 0.00 -1.26 -5.01 105.19 105.28 2isa n GLY 381 Ca 0.10 -0.30 -0.30 0.00 0.00 0.00 0.00 46.02 45.53 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 -0.88 2.44 -0.08 1.61 1.13 -1.26 -5.08 117.35 115.23 2isa s TYR 382 Ca 0.14 -0.32 -0.05 0.00 -1.41 0.00 0.00 57.07 55.43 2isa s TYR 382 Cb 0.09 -1.34 0.03 0.00 -1.10 0.00 0.00 41.96 39.65 2isa s TYR 382 CO 0.13 0.32 0.19 -2.00 -2.51 0.00 0.00 175.55 171.68 2isa s GLU 383 N -1.91 0.18 0.59 -3.49 -6.30 -1.26 -4.28 118.70 102.23 2isa s GLU 383 Ca 0.15 0.36 -0.19 0.00 -2.50 0.00 0.00 54.97 52.79 2isa s GLU 383 Cb -0.10 -0.03 -0.03 0.00 0.00 0.00 0.00 34.13 33.96 2isa s GLU 383 CO 0.07 -0.10 1.27 -1.25 0.02 0.00 0.00 175.26 175.27 2isa s PRO 384 N 0.69 2.92 0.15 4.30 0.04 -1.26 -5.19 135.00 136.66 2isa s PRO 384 Ca -0.05 1.99 -0.11 0.00 0.04 0.00 0.00 61.00 62.87 2isa s PRO 384 Cb -0.06 -2.01 0.00 0.00 0.04 0.00 0.00 34.50 32.47 2isa s PRO 384 CO -0.04 -1.29 0.32 0.54 0.04 0.00 0.00 177.00 176.57 2isa s ASN 385 N -1.37 -0.02 -0.00 6.66 2.20 -1.26 -5.06 114.94 116.09 2isa s ASN 385 Ca 0.77 -0.71 0.03 0.00 -0.94 0.00 0.00 52.86 52.01 2isa s ASN 385 Cb -0.35 0.45 0.08 0.00 -2.00 0.00 0.00 41.25 39.42 2isa s ASN 385 CO 0.39 -0.88 1.04 -0.90 -2.94 0.00 0.00 177.10 173.80 2isa n ASP 386 N -0.21 0.53 -0.28 3.54 5.75 -1.26 -2.72 116.55 121.90 2isa n ASP 386 Ca -0.10 -2.01 0.05 0.00 -0.01 0.00 0.00 54.79 52.72 2isa n ASP 386 Cb 0.63 -0.08 0.01 0.00 -1.03 0.00 0.00 41.12 40.64 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 -0.23 1.74 -1.73 0.11 6.02 -1.26 -4.97 117.38 117.06 2isa n GLN 387 Ca 0.03 -0.73 -0.19 0.00 -0.01 0.00 0.00 57.00 56.10 2isa n GLN 387 Cb 0.09 -1.12 -0.06 0.00 1.02 0.00 0.00 30.24 30.17 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 0.85 1.29 3.78 1.08 0.00 -1.10 -4.98 105.19 106.11 2isa n GLY 388 Ca 0.05 -0.12 -0.34 0.00 0.00 0.00 0.00 46.02 45.61 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 -3.89 3.27 -1.38 1.61 2.00 -1.26 -3.75 119.66 116.25 2isa s GLN 389 Ca 0.00 1.43 -0.08 0.00 -2.00 0.00 0.00 55.36 54.72 2isa s GLN 389 Cb 0.00 -2.01 0.03 0.00 0.80 0.00 0.00 33.01 31.83 2isa s GLN 389 CO 0.00 -0.88 1.03 0.91 -0.50 0.00 0.00 175.29 175.84 2isa n TRP 390 N -1.69 -2.47 -2.34 1.67 5.03 -1.26 -4.75 117.44 111.62 2isa n TRP 390 Ca 0.10 0.95 -0.42 0.00 3.03 0.00 0.00 57.50 61.16 2isa n TRP 390 Cb 0.52 -4.65 -0.03 0.00 -1.03 0.00 0.00 31.31 26.13 2isa n TRP 390 CO 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 177.69 177.66 2isa s ALA 391 N -3.37 3.57 0.96 6.99 0.00 -1.25 -5.00 121.76 123.66 2isa s ALA 391 Ca 0.43 0.70 -0.11 0.00 0.00 0.00 0.00 51.96 52.97 2isa s ALA 391 Cb -0.20 -3.58 0.17 0.00 0.00 0.00 0.00 23.12 19.51 2isa s ALA 391 CO 0.77 -0.94 1.09 -1.83 0.00 0.00 0.00 175.76 174.86 2isa s GLU 392 N 2.65 0.70 -0.66 0.00 -1.05 -1.26 -4.99 118.70 114.08 2isa s GLU 392 Ca 0.59 1.04 0.05 0.00 -0.15 0.00 0.00 54.97 56.50 2isa s GLU 392 Cb -0.27 -1.73 0.17 0.00 -0.44 0.00 0.00 34.13 31.86 2isa s GLU 392 CO 0.22 -2.68 0.47 -0.65 0.95 0.00 0.00 175.26 173.57 2isa s GLN 393 N -4.74 2.25 0.61 -4.83 -0.21 -1.26 -4.97 119.66 106.51 2isa s GLN 393 Ca 0.65 -3.18 0.40 0.00 0.02 0.00 0.00 55.36 53.25 2isa s GLN 393 Cb -0.21 -3.13 1.98 0.00 1.00 0.00 0.00 33.01 32.65 2isa s GLN 393 CO 0.59 -1.30 2.20 -1.00 -2.12 0.00 0.00 175.29 173.66 2isa h PRO 394 N 5.42 0.00 0.00 2.91 0.13 -2.01 -1.42 132.00 137.03 2isa h PRO 394 Ca 0.17 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.30 2isa h PRO 394 Cb 0.77 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.90 2isa h PRO 394 CO 0.67 0.00 0.00 -0.44 -0.23 0.00 0.00 178.00 178.00 2isa h ASP 395 N 0.00 0.00 -0.41 1.44 3.32 -2.04 -2.06 116.42 116.67 2isa h ASP 395 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 2isa h ASP 395 Cb 0.21 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.76 2isa h ASP 395 CO 0.00 0.00 0.00 0.49 -1.72 0.00 0.00 179.24 178.01 2isa n PHE 396 N -2.65 0.53 -1.74 4.55 3.72 -0.53 -4.98 117.46 116.36 2isa n PHE 396 Ca -0.02 -0.27 -0.42 0.00 -0.05 0.00 0.00 57.45 56.70 2isa n PHE 396 Cb 0.07 0.00 -0.03 0.00 -0.94 0.00 0.00 39.48 38.58 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 -1.41 6.38 0.59 4.37 0.15 -0.78 -5.01 113.70 117.99 2isa s SER 397 Ca 0.39 2.89 -0.13 0.00 0.70 0.00 0.00 55.95 59.80 2isa s SER 397 Cb 0.22 -2.61 -0.05 0.00 -1.71 0.00 0.00 66.02 61.87 2isa s SER 397 CO 0.31 -0.96 1.02 -1.61 1.20 0.00 0.00 173.24 173.19 2isa s GLU 398 N 0.77 3.66 0.52 5.44 2.02 -1.26 -5.05 118.70 124.80 2isa s GLU 398 Ca 0.72 0.86 -0.19 0.00 0.02 0.00 0.00 54.97 56.38 2isa s GLU 398 Cb -0.49 -2.09 -0.07 0.00 0.10 0.00 0.00 34.13 31.58 2isa s GLU 398 CO 0.36 -0.51 1.06 -1.25 0.02 0.00 0.00 175.26 174.93 2isa s PRO 399 N -4.71 3.62 0.99 0.39 0.04 -1.26 -5.01 135.00 129.06 2isa s PRO 399 Ca 0.57 1.37 -0.12 0.00 0.04 0.00 0.00 61.00 62.86 2isa s PRO 399 Cb -0.11 -2.07 0.14 0.00 0.04 0.00 0.00 34.50 32.51 2isa s PRO 399 CO 0.45 -0.58 0.87 -2.30 0.04 0.00 0.00 177.00 175.48 2isa n PRO 400 N -1.25 -0.86 -4.06 0.56 -0.02 -1.26 -5.02 135.00 123.09 2isa n PRO 400 Ca 0.10 -0.20 -0.34 0.00 -2.02 0.00 0.00 63.50 61.04 2isa n PRO 400 Cb 0.52 -2.17 -0.15 0.00 -0.02 0.00 0.00 33.50 31.68 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 -5.04 2.42 0.48 2.45 2.96 -1.26 -5.11 118.68 115.57 2isa s LEU 401 Ca 0.64 -0.63 -0.24 0.00 -0.22 0.00 0.00 54.13 53.68 2isa s LEU 401 Cb -0.22 -1.55 -0.07 0.00 0.50 0.00 0.00 46.19 44.84 2isa s LEU 401 CO 0.62 -0.02 1.39 0.20 -1.32 0.00 0.00 176.35 177.22 2isa s ASN 402 N 1.33 5.74 0.14 3.68 0.02 -1.26 -5.03 114.94 119.56 2isa s ASN 402 Ca 0.04 2.83 0.06 0.00 -1.02 0.00 0.00 52.86 54.77 2isa s ASN 402 Cb -0.14 -2.65 -0.04 0.00 0.02 0.00 0.00 41.25 38.45 2isa s ASN 402 CO -0.10 -1.26 -0.13 -0.76 0.02 0.00 0.00 177.10 174.87 2isa s LEU 403 N -2.95 2.46 -0.22 0.60 1.02 -1.26 -5.15 118.68 113.18 2isa s LEU 403 Ca 0.64 -0.90 -0.11 0.00 0.02 0.00 0.00 54.13 53.78 2isa s LEU 403 Cb -0.42 -0.51 0.08 0.00 0.02 0.00 0.00 46.19 45.36 2isa s LEU 403 CO 0.52 -0.20 0.52 -0.62 0.02 0.00 0.00 176.35 176.59 2isa s ASP 404 N -2.80 -0.66 0.00 2.29 3.68 -1.26 -5.15 116.67 112.77 2isa s ASP 404 Ca 0.13 1.16 0.00 0.00 2.13 0.00 0.00 52.55 55.98 2isa s ASP 404 Cb -0.02 1.21 0.00 0.00 -1.45 0.00 0.00 42.92 42.66 2isa s ASP 404 CO 0.03 -0.22 0.00 0.61 0.13 0.00 0.00 175.17 175.72 2isa n GLY 405 N 4.61 2.36 3.83 2.66 0.00 -1.26 -5.08 105.19 112.31 2isa n GLY 405 Ca -0.19 -2.05 -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 -2.32 2.82 -0.15 4.61 0.00 -1.26 -5.00 121.76 120.46 2isa s ALA 406 Ca 0.00 0.14 -0.29 0.00 0.00 0.00 0.00 51.96 51.81 2isa s ALA 406 Cb 0.00 -3.17 -0.04 0.00 0.00 0.00 0.00 23.12 19.91 2isa s ALA 406 CO 0.00 -0.90 1.71 0.00 0.00 0.00 0.00 175.76 176.57 2isa s ALA 407 N -2.87 3.36 0.12 0.00 0.00 -1.26 -4.96 121.76 116.14 2isa s ALA 407 Ca 0.59 0.72 -0.25 0.00 0.00 0.00 0.00 51.96 53.01 2isa s ALA 407 Cb -0.13 -3.84 0.07 0.00 0.00 0.00 0.00 23.12 19.22 2isa s ALA 407 CO 0.47 -1.82 0.84 0.00 0.00 0.00 0.00 175.76 175.25 2isa s ALA 408 N 5.05 -1.65 -1.12 0.00 0.00 -1.26 -5.07 121.76 117.71 2isa s ALA 408 Ca 0.76 0.44 -0.17 0.00 0.00 0.00 0.00 51.96 52.99 2isa s ALA 408 Cb -0.30 0.64 0.12 0.00 0.00 0.00 0.00 23.12 23.58 2isa s ALA 408 CO 0.31 -0.87 1.41 -1.01 0.00 0.00 0.00 175.76 175.60 2isa s HIS 409 N -3.40 3.11 0.08 0.00 3.76 -1.26 -5.01 115.29 112.57 2isa s HIS 409 Ca 0.07 -1.63 -0.31 0.00 -0.15 0.00 0.00 55.06 53.04 2isa s HIS 409 Cb -0.02 -4.45 -0.07 0.00 1.11 0.00 0.00 32.58 29.16 2isa s HIS 409 CO -0.04 -1.58 1.29 -1.58 -0.85 0.00 0.00 174.74 171.97 2isa s TRP 410 N 2.91 3.34 -0.42 1.40 0.52 -1.26 -4.94 118.94 120.49 2isa s TRP 410 Ca 0.43 1.14 -0.29 0.00 0.02 0.00 0.00 56.10 57.40 2isa s TRP 410 Cb -0.02 -3.54 0.01 0.00 -1.15 0.00 0.00 33.47 28.77 2isa s TRP 410 CO -0.03 -1.79 1.44 0.34 0.02 0.00 0.00 176.95 176.93 2isa s ASP 411 N 1.10 6.29 0.58 2.95 -1.08 -1.26 -4.89 116.67 120.36 2isa s ASP 411 Ca 0.61 0.82 0.32 0.00 -0.52 0.00 0.00 52.55 53.79 2isa s ASP 411 Cb -0.33 -2.54 1.82 0.00 -1.46 0.00 0.00 42.92 40.41 2isa s ASP 411 CO 0.29 -1.47 2.21 1.12 0.52 0.00 0.00 175.17 177.85 2isa h HIS 412 N 10.88 0.00 0.00 -5.34 2.07 -1.97 -2.44 115.15 118.36 2isa h HIS 412 Ca -0.28 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.24 2isa h HIS 412 Cb 1.11 0.00 0.00 0.00 2.57 0.00 0.00 27.41 31.09 2isa h HIS 412 CO 0.97 0.04 0.00 0.54 -3.07 0.00 0.00 177.93 176.41 2isa n ARG 413 N -3.59 0.49 0.03 5.12 1.74 -1.26 -1.84 116.66 117.34 2isa n ARG 413 Ca -0.02 0.00 0.11 0.00 -0.77 0.00 0.00 57.85 57.17 2isa n ARG 413 Cb 0.14 -1.43 0.56 0.00 -1.02 0.00 0.00 32.46 30.70 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 0.25 -4.74 5.56 4.81 -1.85 -3.33 114.58 115.28 2isa h GLU 414 Ca 0.00 -0.02 -0.70 0.00 -0.13 0.00 0.00 59.36 58.51 2isa h GLU 414 Cb 0.00 -0.06 -0.19 0.00 0.63 0.00 0.00 28.75 29.13 2isa h GLU 414 CO 0.00 0.17 -0.06 0.34 -0.73 0.00 0.00 179.01 178.73 2isa s ASP 415 N -6.51 6.20 -0.11 1.04 -1.08 -0.77 -4.93 116.67 110.52 2isa s ASP 415 Ca -0.07 -1.08 0.17 0.00 -0.52 0.00 0.00 52.55 51.06 2isa s ASP 415 Cb 0.19 -2.26 0.69 0.00 -1.46 0.00 0.00 42.92 40.08 2isa s ASP 415 CO 0.72 -0.84 1.59 -0.62 0.52 0.00 0.00 175.17 176.55 2isa n GLU 416 N 5.89 3.62 -2.42 4.34 1.02 -1.25 -4.77 120.64 127.07 2isa n GLU 416 Ca -0.09 -2.73 -0.39 0.00 -0.02 0.00 0.00 57.16 53.93 2isa n GLU 416 Cb 0.45 -1.87 -0.02 0.00 -0.02 0.00 0.00 31.44 29.98 2isa n GLU 416 CO 0.00 0.00 0.00 -3.47 1.18 0.00 0.00 177.13 174.84 2isa n ASP 417 N 1.08 4.44 0.01 1.62 2.03 -1.26 -4.61 116.55 119.85 2isa n ASP 417 Ca 0.25 -2.86 0.11 0.00 0.52 0.00 0.00 54.79 52.80 2isa n ASP 417 Cb 0.86 -1.74 -0.11 0.00 -0.72 0.00 0.00 41.12 39.40 2isa n ASP 417 CO 0.00 0.00 0.00 -1.22 -1.92 0.00 0.00 177.20 174.06 2isa n TYR 418 N 9.79 0.11 -0.01 -0.67 4.01 -1.26 -4.70 117.16 124.41 2isa n TYR 418 Ca 0.48 0.03 0.01 0.00 -0.16 0.00 0.00 57.90 58.26 2isa n TYR 418 Cb 0.46 -0.39 -0.04 0.00 -0.31 0.00 0.00 39.34 39.06 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 -2.04 0.00 -0.11 -0.72 3.72 -1.26 -4.65 117.46 112.40 2isa n PHE 419 Ca -0.01 0.00 -0.10 0.00 -0.05 0.00 0.00 57.45 57.29 2isa n PHE 419 Cb 0.48 -0.16 -0.02 0.00 -0.94 0.00 0.00 39.48 38.84 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 0.55 -0.53 4.37 4.64 -1.88 -1.36 113.55 119.35 2isa h SER 420 Ca -0.05 -0.28 -0.10 0.00 -0.47 0.00 0.00 61.79 60.89 2isa h SER 420 Cb 0.67 -0.15 -0.02 0.00 -0.31 0.00 0.00 62.40 62.59 2isa h SER 420 CO 0.00 0.69 -0.06 1.56 -0.87 0.00 0.00 176.83 178.15 2isa h GLN 421 N 0.39 0.97 -0.88 4.77 4.20 -1.90 0.01 115.11 122.67 2isa h GLN 421 Ca 0.10 -0.34 0.04 0.00 0.06 0.00 0.00 58.65 58.51 2isa h GLN 421 Cb 0.39 -0.07 -0.05 0.00 0.30 0.00 0.00 27.48 28.04 2isa h GLN 421 CO 0.01 1.01 0.57 -1.35 -0.67 0.00 0.00 178.83 178.40 2isa h PRO 422 N 0.84 1.06 -0.39 1.46 0.11 -1.83 -1.56 132.00 131.70 2isa h PRO 422 Ca 0.14 -0.06 0.01 0.00 0.11 0.00 0.00 66.00 66.20 2isa h PRO 422 Cb 0.61 -0.24 -0.02 0.00 0.11 0.00 0.00 31.00 31.46 2isa h PRO 422 CO 0.04 0.70 0.23 0.78 -0.21 0.00 0.00 178.00 179.54 2isa h GLY 423 N 1.09 0.54 0.62 -0.55 0.00 -0.97 -1.04 103.07 102.75 2isa h GLY 423 Ca 0.36 -0.18 0.04 0.00 0.00 0.00 0.00 47.33 47.55 2isa h GLY 423 CO -0.13 0.16 -0.04 -0.55 0.00 0.00 0.00 176.54 175.98 2isa h ASP 424 N 0.47 -0.17 -0.10 0.19 3.32 -0.79 0.27 116.42 119.61 2isa h ASP 424 Ca 0.15 0.06 0.03 0.00 0.02 0.00 0.00 57.03 57.29 2isa h ASP 424 Cb -0.00 0.12 -0.03 0.00 0.22 0.00 0.00 39.33 39.63 2isa h ASP 424 CO -0.07 -0.06 -0.08 0.25 -1.72 0.00 0.00 179.24 177.56 2isa h LEU 425 N 0.01 -0.27 -0.44 1.55 5.85 -1.15 -2.38 115.31 118.48 2isa h LEU 425 Ca 0.09 0.06 0.03 0.00 0.84 0.00 0.00 57.88 58.89 2isa h LEU 425 Cb 0.14 0.14 -0.03 0.00 0.37 0.00 0.00 40.66 41.27 2isa h LEU 425 CO -0.20 -0.12 0.24 0.15 -0.34 0.00 0.00 178.44 178.18 2isa h PHE 426 N -0.10 0.45 -0.39 1.25 3.57 -1.00 -2.52 116.94 118.20 2isa h PHE 426 Ca 0.07 0.02 0.10 0.00 3.53 0.00 0.00 57.97 61.68 2isa h PHE 426 Cb 0.20 -0.14 -0.02 0.00 2.79 0.00 0.00 35.95 38.78 2isa h PHE 426 CO -0.20 0.25 0.28 0.78 -2.23 0.00 0.00 178.31 177.19 2isa h GLY 427 N 0.49 0.13 2.00 2.40 0.00 -0.66 -1.32 103.07 106.10 2isa h GLY 427 Ca 0.18 -0.04 0.00 0.00 0.00 0.00 0.00 47.33 47.47 2isa h GLY 427 CO -0.10 0.02 0.00 1.41 0.00 0.00 0.00 176.54 177.87 2isa h LEU 428 N 0.09 0.00-10.02 3.11 -0.00 -0.98 -3.46 115.31 104.05 2isa h LEU 428 Ca 0.18 0.00 -0.51 0.00 -0.00 0.00 0.00 57.88 57.56 2isa h LEU 428 Cb 0.61 0.00 0.07 0.00 -0.00 0.00 0.00 40.66 41.34 2isa h LEU 428 CO -0.02 0.00 0.48 -0.04 -0.00 0.00 0.00 178.44 178.86 2isa s MET 429 N -3.13 3.62 0.95 1.13 -1.94 -0.50 -5.04 119.30 114.38 2isa s MET 429 Ca 0.10 1.76 -0.12 0.00 -1.71 0.00 0.00 55.69 55.72 2isa s MET 429 Cb 0.10 -2.30 0.16 0.00 2.01 0.00 0.00 34.83 34.80 2isa s MET 429 CO 0.62 -0.67 1.09 0.95 -0.01 0.00 0.00 175.02 177.00 2isa s THR 430 N -1.58 2.37 0.28 2.05 -4.23 -1.26 -4.79 115.64 108.47 2isa s THR 430 Ca 0.66 0.12 -0.00 0.00 -1.18 0.00 0.00 61.69 61.29 2isa s THR 430 Cb -0.28 -2.62 0.27 0.00 1.34 0.00 0.00 72.50 71.22 2isa s THR 430 CO 0.34 -0.16 1.84 0.00 -0.54 0.00 0.00 174.62 176.10 2isa h ALA 431 N -1.71 1.46 -0.13 3.99 0.00 -1.98 0.04 119.26 120.93 2isa h ALA 431 Ca -0.52 0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.40 2isa h ALA 431 Cb 1.31 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.87 2isa h ALA 431 CO 0.56 0.26 0.08 1.49 0.00 0.00 0.00 179.25 181.64 2isa h GLU 432 N 1.01 0.18 -0.47 0.00 4.57 -1.99 -0.78 114.58 117.10 2isa h GLU 432 Ca 0.48 -0.02 -0.05 0.00 -1.18 0.00 0.00 59.36 58.59 2isa h GLU 432 Cb 0.42 -0.04 -0.02 0.00 -0.16 0.00 0.00 28.75 28.95 2isa h GLU 432 CO -0.25 0.18 0.09 0.87 -1.18 0.00 0.00 179.01 178.72 2isa h LYS 433 N 0.14 0.73 -0.45 1.92 1.57 -1.80 -1.18 116.57 117.50 2isa h LYS 433 Ca 0.05 -0.15 -0.12 0.00 -1.87 0.00 0.00 60.65 58.56 2isa h LYS 433 Cb 0.04 -0.11 -0.01 0.00 0.08 0.00 0.00 32.23 32.23 2isa h LYS 433 CO -0.01 0.68 -0.19 1.96 -0.57 0.00 0.00 179.45 181.33 2isa h GLN 434 N 0.70 0.92 -0.47 3.15 4.20 -0.88 -1.81 115.11 120.92 2isa h GLN 434 Ca 0.15 -0.39 -0.04 0.00 0.06 0.00 0.00 58.65 58.44 2isa h GLN 434 Cb 0.30 -0.03 -0.02 0.00 0.30 0.00 0.00 27.48 28.03 2isa h GLN 434 CO 0.00 1.04 0.15 0.00 -0.67 0.00 0.00 178.83 179.35 2isa h ALA 435 N 0.85 0.62 0.22 3.87 0.00 -0.81 -0.54 119.26 123.47 2isa h ALA 435 Ca 0.10 -0.18 0.01 0.00 0.00 0.00 0.00 54.91 54.84 2isa h ALA 435 Cb 0.75 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 18.33 2isa h ALA 435 CO 0.06 0.27 -0.35 0.82 0.00 0.00 0.00 179.25 180.06 2isa h ILE 436 N 0.63 0.28 -0.69 0.00 2.04 -1.22 -0.81 117.51 117.73 2isa h ILE 436 Ca 0.15 0.00 0.12 0.00 1.00 0.00 0.00 64.86 66.14 2isa h ILE 436 Cb 0.27 0.28 -0.13 0.00 -0.74 0.00 0.00 36.82 36.50 2isa h ILE 436 CO -0.00 0.00 -0.30 0.25 0.00 0.00 0.00 178.15 178.09 2isa h LEU 437 N -0.63 -1.08 -0.17 1.44 6.46 -1.15 0.41 115.31 120.58 2isa h LEU 437 Ca 0.01 0.24 -0.00 0.00 -0.12 0.00 0.00 57.88 58.01 2isa h LEU 437 Cb 0.62 0.57 -0.01 0.00 -0.73 0.00 0.00 40.66 41.12 2isa h LEU 437 CO -0.14 -0.29 0.11 -0.26 -0.62 0.00 0.00 178.44 177.24 2isa h PHE 438 N -0.10 0.22 -0.10 1.25 0.05 -0.84 -1.58 116.94 115.84 2isa h PHE 438 Ca 0.28 0.00 -0.02 0.00 3.82 0.00 0.00 57.97 62.06 2isa h PHE 438 Cb 0.56 -0.07 -0.00 0.00 2.00 0.00 0.00 35.95 38.43 2isa h PHE 438 CO -0.66 0.17 0.01 0.22 -0.18 0.00 0.00 178.31 177.87 2isa h ASP 439 N 0.21 0.18 -0.28 2.17 3.58 -0.64 -1.63 116.42 120.01 2isa h ASP 439 Ca 0.06 -0.30 0.06 0.00 0.42 0.00 0.00 57.03 57.28 2isa h ASP 439 Cb 0.01 -0.05 -0.06 0.00 1.72 0.00 0.00 39.33 40.95 2isa h ASP 439 CO -0.01 0.43 -0.14 0.78 -2.88 0.00 0.00 179.24 177.41 2isa h ASN 440 N -0.08 -0.48 -0.12 2.28 -0.26 -0.90 -1.81 115.58 114.20 2isa h ASN 440 Ca 0.03 0.11 0.01 0.00 -0.56 0.00 0.00 56.30 55.90 2isa h ASN 440 Cb 0.33 0.26 -0.01 0.00 -1.06 0.00 0.00 38.32 37.84 2isa h ASN 440 CO 0.00 -0.18 0.02 0.74 -1.06 0.00 0.00 177.43 176.96 2isa h THR 441 N -0.11 0.95 -0.68 2.81 2.02 -1.24 -0.94 112.91 115.72 2isa h THR 441 Ca 0.15 -0.02 0.01 0.00 0.77 0.00 0.00 66.41 67.31 2isa h THR 441 Cb 0.33 0.87 -0.04 0.00 -1.74 0.00 0.00 68.15 67.58 2isa h THR 441 CO -0.35 0.01 0.45 0.00 0.37 0.00 0.00 175.52 176.00 2isa h ALA 442 N 1.08 0.87 -0.02 6.16 0.00 -1.16 -0.01 119.26 126.18 2isa h ALA 442 Ca 0.05 -0.04 -0.17 0.00 0.00 0.00 0.00 54.91 54.75 2isa h ALA 442 Cb 0.04 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.55 2isa h ALA 442 CO -0.07 0.27 -0.74 0.00 0.00 0.00 0.00 179.25 178.71 2isa h ARG 443 N 0.90 0.14 -0.12 0.00 3.08 -1.25 -2.87 114.38 114.27 2isa h ARG 443 Ca 0.25 -0.12 -0.05 0.00 0.07 0.00 0.00 59.98 60.13 2isa h ARG 443 Cb -0.08 0.03 -0.01 0.00 0.08 0.00 0.00 29.97 29.99 2isa h ARG 443 CO -0.06 0.82 -0.17 -0.97 -1.07 0.00 0.00 179.97 178.51 2isa h ASN 444 N 0.09 0.18 -0.07 7.04 -0.73 -0.78 -2.81 115.58 118.49 2isa h ASN 444 Ca -0.02 -0.04 0.00 0.00 1.87 0.00 0.00 56.30 58.11 2isa h ASN 444 Cb 1.31 -0.05 0.00 0.00 0.27 0.00 0.00 38.32 39.85 2isa h ASN 444 CO 0.11 0.37 0.00 0.18 -0.37 0.00 0.00 177.43 177.71 2isa n LEU 445 N -4.26 0.63 -4.71 0.34 4.77 -0.05 -4.87 117.00 108.85 2isa n LEU 445 Ca -0.01 -0.27 -0.42 0.00 -0.03 0.00 0.00 56.01 55.28 2isa n LEU 445 Cb 0.29 -0.04 -0.03 0.00 -2.33 0.00 0.00 43.42 41.30 2isa n LEU 445 CO 0.38 0.13 1.12 0.21 -1.33 0.00 0.00 177.39 177.90 2isa s ASN 446 N -1.51 6.76 0.00 -1.43 3.04 -1.06 -2.09 114.94 118.65 2isa s ASN 446 Ca 0.27 2.38 0.00 0.00 0.04 0.00 0.00 52.86 55.55 2isa s ASN 446 Cb 0.13 -2.58 0.00 0.00 -1.54 0.00 0.00 41.25 37.26 2isa s ASN 446 CO 0.21 -0.71 0.00 0.61 -3.04 0.00 0.00 177.10 174.17 2isa n GLY 447 N 3.59 2.53 3.73 1.21 0.00 -1.26 -4.99 105.19 110.01 2isa n GLY 447 Ca 0.12 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.73 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 -2.44 3.52 0.25 1.61 1.01 -0.89 -4.90 120.40 118.56 2isa s VAL 448 Ca 0.00 1.19 -0.30 0.00 0.00 0.00 0.00 61.98 62.87 2isa s VAL 448 Cb 0.00 -3.76 -0.14 0.00 0.00 0.00 0.00 36.38 32.48 2isa s VAL 448 CO 0.00 0.15 1.14 -2.65 0.00 0.00 0.00 175.10 173.74 2isa n PRO 449 N 3.13 1.48 -0.31 2.72 -0.02 -1.26 -4.70 135.00 136.04 2isa n PRO 449 Ca 0.07 0.52 0.13 0.00 -2.02 0.00 0.00 63.50 62.20 2isa n PRO 449 Cb 0.44 -1.99 0.30 0.00 -0.02 0.00 0.00 33.50 32.23 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 2.79 0.44 0.00 -0.52 3.64 -1.97 -1.16 116.57 119.80 2isa h LYS 450 Ca -0.42 -0.03 -0.05 0.00 -1.27 0.00 0.00 60.65 58.88 2isa h LYS 450 Cb 1.33 -0.10 -0.01 0.00 -0.41 0.00 0.00 32.23 33.04 2isa h LYS 450 CO 0.66 0.29 -0.25 1.05 -2.27 0.00 0.00 179.45 178.93 2isa h GLU 451 N 0.45 0.00 -0.04 1.90 9.09 -1.99 0.30 114.58 124.29 2isa h GLU 451 Ca 0.55 0.00 -0.13 0.00 0.05 0.00 0.00 59.36 59.83 2isa h GLU 451 Cb 1.01 0.00 0.01 0.00 -1.65 0.00 0.00 28.75 28.12 2isa h GLU 451 CO -0.50 0.25 -0.47 0.82 0.05 0.00 0.00 179.01 179.16 2isa h ILE 452 N 0.00 1.42 -0.55 -1.06 2.04 -1.58 -2.22 117.51 115.56 2isa h ILE 452 Ca -0.00 -1.91 0.10 0.00 1.00 0.00 0.00 64.86 64.05 2isa h ILE 452 Cb 0.44 2.44 -0.08 0.00 -0.74 0.00 0.00 36.82 38.88 2isa h ILE 452 CO 0.03 0.56 0.11 1.56 0.00 0.00 0.00 178.15 180.41 2isa h GLN 453 N -0.10 0.24 -0.42 2.37 4.20 -1.01 -2.14 115.11 118.26 2isa h GLN 453 Ca -0.05 -0.01 -0.09 0.00 0.06 0.00 0.00 58.65 58.56 2isa h GLN 453 Cb 1.15 -0.05 -0.02 0.00 0.30 0.00 0.00 27.48 28.86 2isa h GLN 453 CO 0.10 0.16 -0.12 1.25 -0.67 0.00 0.00 178.83 179.55 2isa h LEU 454 N 0.25 0.73 -0.59 1.46 5.85 -0.97 -1.21 115.31 120.83 2isa h LEU 454 Ca 0.28 -0.22 0.06 0.00 0.84 0.00 0.00 57.88 58.84 2isa h LEU 454 Cb 0.40 -0.20 -0.05 0.00 0.37 0.00 0.00 40.66 41.19 2isa h LEU 454 CO -0.37 0.87 0.31 0.03 -0.34 0.00 0.00 178.44 178.94 2isa h ARG 455 N 0.68 0.56 -0.27 1.25 2.47 -0.84 -0.55 114.38 117.67 2isa h ARG 455 Ca 0.11 -0.03 -0.04 0.00 -1.26 0.00 0.00 59.98 58.76 2isa h ARG 455 Cb 0.58 -0.13 -0.01 0.00 -1.65 0.00 0.00 29.97 28.77 2isa h ARG 455 CO 0.04 0.37 -0.00 1.25 0.56 0.00 0.00 179.97 182.19 2isa h HIS 456 N 0.58 0.51 -0.73 3.04 2.76 -0.94 -2.67 115.15 117.70 2isa h HIS 456 Ca 0.27 -0.09 -0.04 0.00 -2.20 0.00 0.00 60.37 58.31 2isa h HIS 456 Cb 0.18 -0.13 -0.03 0.00 1.55 0.00 0.00 27.41 28.97 2isa h HIS 456 CO -0.10 0.63 0.31 0.28 -1.30 0.00 0.00 177.93 177.75 2isa h VAL 457 N 0.25 1.24 -0.43 5.26 2.07 -1.01 -0.54 116.25 123.10 2isa h VAL 457 Ca 0.08 -0.74 0.02 0.00 0.82 0.00 0.00 66.70 66.88 2isa h VAL 457 Cb 0.42 0.35 -0.03 0.00 -1.52 0.00 0.00 31.29 30.52 2isa h VAL 457 CO 0.01 0.30 0.25 0.74 0.02 0.00 0.00 177.57 178.89 2isa h THR 458 N 1.05 1.03 -0.53 2.57 2.02 -1.10 0.82 112.91 118.77 2isa h THR 458 Ca 0.25 -0.17 -0.01 0.00 0.77 0.00 0.00 66.41 67.24 2isa h THR 458 Cb 0.17 0.49 -0.02 0.00 -1.74 0.00 0.00 68.15 67.05 2isa h THR 458 CO -0.02 0.09 0.28 0.45 0.37 0.00 0.00 175.52 176.68 2isa h HIS 459 N 0.50 0.74 -0.75 3.16 3.86 -0.97 -1.76 115.15 119.93 2isa h HIS 459 Ca 0.17 -0.03 0.02 0.00 -1.16 0.00 0.00 60.37 59.37 2isa h HIS 459 Cb 0.03 -0.23 -0.04 0.00 1.06 0.00 0.00 27.41 28.22 2isa h HIS 459 CO -0.08 0.56 0.49 0.00 0.86 0.00 0.00 177.93 179.76 2isa h TYR 461 N 0.98 0.89 0.00 0.00 3.20 -0.36 -1.38 116.97 120.29 2isa h TYR 461 Ca 0.28 0.03 -0.09 0.00 3.14 0.00 0.00 58.73 62.09 2isa h TYR 461 Cb -0.07 -0.29 -0.01 0.00 1.54 0.00 0.00 36.73 37.90 2isa h TYR 461 CO -0.03 0.46 -0.41 0.87 -1.64 0.00 0.00 178.16 177.42 2isa h LYS 462 N 0.89 0.00 -0.11 1.82 1.57 -0.98 -2.38 116.57 117.39 2isa h LYS 462 Ca 0.34 0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 59.09 2isa h LYS 462 Cb 0.13 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.44 2isa h LYS 462 CO -0.16 0.41 -0.02 0.00 -0.57 0.00 0.00 179.45 179.11 2isa h ALA 463 N 1.59 0.15 -1.63 3.86 0.00 -0.76 -3.46 119.26 119.01 2isa h ALA 463 Ca -0.00 -0.21 0.10 0.00 0.00 0.00 0.00 54.91 54.79 2isa h ALA 463 Cb 0.77 -0.04 -0.24 0.00 0.00 0.00 0.00 17.79 18.29 2isa h ALA 463 CO 0.05 -0.13 0.16 0.34 0.00 0.00 0.00 179.25 179.68 2isa s ASP 464 N -5.77 -0.75 0.42 0.00 -1.08 -0.58 -4.15 116.67 104.76 2isa s ASP 464 Ca -0.14 1.13 0.18 0.00 -0.52 0.00 0.00 52.55 53.20 2isa s ASP 464 Cb 0.05 1.54 1.10 0.00 -1.46 0.00 0.00 42.92 44.15 2isa s ASP 464 CO 0.71 -0.17 1.84 -0.65 0.52 0.00 0.00 175.17 177.42 2isa h PRO 465 N 6.95 0.38 0.00 4.34 0.11 -1.67 0.10 132.00 142.21 2isa h PRO 465 Ca -0.24 -0.02 -0.06 0.00 0.11 0.00 0.00 66.00 65.78 2isa h PRO 465 Cb 1.17 -0.09 -0.01 0.00 0.11 0.00 0.00 31.00 32.19 2isa h PRO 465 CO 0.15 0.25 -0.29 0.00 -0.21 0.00 0.00 178.00 177.90 2isa h ALA 466 N 1.61 1.27 -0.00 -0.75 0.00 -1.90 -1.38 119.26 118.10 2isa h ALA 466 Ca 0.49 -0.27 -0.00 0.00 0.00 0.00 0.00 54.91 55.13 2isa h ALA 466 Cb 1.25 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.99 2isa h ALA 466 CO -0.19 0.36 -0.01 -0.92 0.00 0.00 0.00 179.25 178.50 2isa h TYR 467 N 0.00 0.01 -0.20 0.00 3.20 -1.04 -1.50 116.97 117.44 2isa h TYR 467 Ca -0.00 -0.01 0.04 0.00 3.14 0.00 0.00 58.73 61.90 2isa h TYR 467 Cb 0.61 -0.00 -0.04 0.00 1.54 0.00 0.00 36.73 38.84 2isa h TYR 467 CO 0.00 0.75 -0.04 0.78 -1.64 0.00 0.00 178.16 178.00 2isa h GLY 468 N -0.73 0.15 1.12 1.82 0.00 -1.47 -2.91 103.07 101.05 2isa h GLY 468 Ca -0.00 0.06 -0.01 0.00 0.00 0.00 0.00 47.33 47.38 2isa h GLY 468 CO 0.00 -0.07 0.48 -2.09 0.00 0.00 0.00 176.54 174.86 2isa h GLU 469 N 0.01 1.16 -0.95 4.80 4.81 -1.29 0.19 114.58 123.29 2isa h GLU 469 Ca 0.09 -0.12 0.04 0.00 -0.13 0.00 0.00 59.36 59.25 2isa h GLU 469 Cb 0.14 -0.24 -0.06 0.00 0.63 0.00 0.00 28.75 29.23 2isa h GLU 469 CO -0.20 0.83 0.62 0.78 -0.73 0.00 0.00 179.01 180.31 2isa h GLY 470 N 1.19 1.41 0.75 1.92 0.00 -1.08 -0.96 103.07 106.30 2isa h GLY 470 Ca 0.30 -0.46 -0.21 0.00 0.00 0.00 0.00 47.33 46.96 2isa h GLY 470 CO -0.05 0.38 -0.93 -2.22 0.00 0.00 0.00 176.54 173.72 2isa h ILE 471 N 1.17 1.46 -0.56 2.60 2.04 -1.33 -3.32 117.51 119.57 2isa h ILE 471 Ca 0.39 -2.55 0.08 0.00 1.00 0.00 0.00 64.86 63.78 2isa h ILE 471 Cb 0.05 3.16 -0.07 0.00 -0.74 0.00 0.00 36.82 39.23 2isa h ILE 471 CO -0.14 0.73 0.21 1.23 0.00 0.00 0.00 178.15 180.18 2isa h GLY 472 N -0.29 0.77 0.75 5.37 0.00 -0.44 -2.08 103.07 107.16 2isa h GLY 472 Ca -0.16 -0.11 0.05 0.00 0.00 0.00 0.00 47.33 47.10 2isa h GLY 472 CO 0.16 -0.00 0.45 0.50 0.00 0.00 0.00 176.54 177.65 2isa h LYS 473 N 0.39 0.82 -0.21 4.80 1.57 -1.34 0.10 116.57 122.70 2isa h LYS 473 Ca 0.28 -0.05 -0.11 0.00 -1.87 0.00 0.00 60.65 58.90 2isa h LYS 473 Cb 0.32 -0.18 -0.01 0.00 0.08 0.00 0.00 32.23 32.43 2isa h LYS 473 CO -0.28 0.54 -0.34 -0.07 -0.57 0.00 0.00 179.45 178.73 2isa h LEU 474 N 0.84 0.46 0.00 2.94 3.38 -1.52 -2.79 115.31 118.62 2isa h LEU 474 Ca 0.32 -0.18 0.00 0.00 0.09 0.00 0.00 57.88 58.11 2isa h LEU 474 Cb 0.14 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 40.76 2isa h LEU 474 CO -0.16 0.77 -0.21 0.18 0.09 0.00 0.00 178.44 179.11 2isa n LEU 475 N -4.07 0.22 0.00 1.67 4.77 -0.83 -4.95 117.00 113.81 2isa n LEU 475 Ca -0.01 0.29 0.00 0.00 -0.03 0.00 0.00 56.01 56.26 2isa n LEU 475 Cb 0.46 -0.39 0.00 0.00 -2.33 0.00 0.00 43.42 41.16 2isa n LEU 475 CO 0.43 0.05 0.00 0.61 -1.33 0.00 0.00 177.39 177.15 2isa n GLY 476 N 1.50 0.61 3.86 -0.72 0.00 -0.43 -5.07 105.19 104.93 2isa n GLY 476 Ca 0.06 -0.77 -0.34 0.00 0.00 0.00 0.00 46.02 44.98 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 -2.00 3.55 0.48 1.61 2.99 -0.11 -5.02 117.98 119.48 2isa s PHE 477 Ca 0.00 0.97 -0.20 0.00 0.00 0.00 0.00 56.93 57.70 2isa s PHE 477 Cb 0.00 -2.31 -0.09 0.00 0.00 0.00 0.00 43.02 40.62 2isa s PHE 477 CO 0.00 0.39 1.03 -0.51 -0.00 0.00 0.00 175.22 176.14 2isa s ASP 478 N -1.92 6.39 0.36 1.36 1.01 -1.26 -4.48 116.67 118.14 2isa s ASP 478 Ca 0.40 1.92 0.05 0.00 0.71 0.00 0.00 52.55 55.63 2isa s ASP 478 Cb -0.14 -2.56 0.72 0.00 1.01 0.00 0.00 42.92 41.95 2isa s ASP 478 CO 0.20 -0.74 1.99 -0.29 0.21 0.00 0.00 175.17 176.54 2isa h ILE 479 N 1.61 1.09 0.00 0.77 2.10 -1.97 -2.18 117.51 118.93 2isa h ILE 479 Ca -0.49 -0.26 -0.00 0.00 1.08 0.00 0.00 64.86 65.18 2isa h ILE 479 Cb 1.22 0.26 -0.00 0.00 -1.09 0.00 0.00 36.82 37.20 2isa h ILE 479 CO 0.59 0.14 -0.01 0.77 -1.08 0.00 0.00 178.15 178.56 2isa h SER 480 N 0.77 0.00 1.28 2.19 4.64 -1.98 -2.15 113.55 118.29 2isa h SER 480 Ca 0.26 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.58 2isa h SER 480 Cb 0.07 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.16 2isa h SER 480 CO -0.07 0.01 0.00 -0.33 -0.87 0.00 0.00 176.83 175.57 2isa h GLU 481 N 0.00 0.00 0.00 4.77 5.08 -1.78 -3.37 114.58 119.28 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 0.07 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.32 2isa h GLU 481 CO 0.00 0.00 -0.01 2.48 -1.00 0.00 0.00 179.01 180.48 2isa n TYR 482 N -2.57 0.00 1.03 4.33 0.18 -0.86 -4.88 117.16 114.39 2isa n TYR 482 Ca 0.03 0.00 0.12 0.00 1.88 0.00 0.00 57.90 59.93 2isa n TYR 482 Cb 0.37 0.03 0.11 0.00 -0.38 0.00 0.00 39.34 39.47 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 0.00 2.79 -0.54 9.48 0.23 -0.89 -4.47 115.26 121.85 2isa n ASN 483 Ca 0.00 -1.91 0.14 0.00 -0.53 0.00 0.00 54.58 52.28 2isa n ASN 483 Cb 0.50 0.06 0.47 0.00 -2.08 0.00 0.00 39.78 38.74 2isa n ASN 483 CO 0.00 0.00 0.00 -1.20 -0.93 0.00 0.00 177.26 175.13