#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1isa s PHE 2 N 0.00 3.13 0.05 0.66 0.08 -1.26 -5.06 117.98 115.58 1isa s PHE 2 Ca 0.00 0.05 0.06 0.00 0.12 0.00 0.00 56.93 57.16 1isa s PHE 2 Cb 0.00 -1.60 -0.03 0.00 -0.57 0.00 0.00 43.02 40.81 1isa s PHE 2 CO 0.00 0.51 -0.13 -2.00 -0.10 0.00 0.00 175.22 173.50 1isa s GLU 3 N -2.31 2.21 -0.17 0.44 2.12 -1.26 -4.95 118.70 114.78 1isa s GLU 3 Ca 0.28 -0.93 -0.29 0.00 0.36 0.00 0.00 54.97 54.39 1isa s GLU 3 Cb -0.12 -2.30 -0.03 0.00 0.26 0.00 0.00 34.13 31.95 1isa s GLU 3 CO 0.20 0.55 1.51 -1.17 -0.54 0.00 0.00 175.26 175.81 1isa s LEU 4 N -1.63 4.07 0.50 2.70 2.96 -1.26 -4.98 118.68 121.05 1isa s LEU 4 Ca 0.17 1.75 -0.23 0.00 -0.22 0.00 0.00 54.13 55.60 1isa s LEU 4 Cb -0.11 -3.53 -0.06 0.00 0.50 0.00 0.00 46.19 42.99 1isa s LEU 4 CO 0.08 -1.04 1.37 -2.84 -1.32 0.00 0.00 176.35 172.60 1isa s PRO 5 N 4.18 3.38 0.62 0.98 0.02 -1.26 -4.97 135.00 137.95 1isa s PRO 5 Ca 0.66 2.27 -0.17 0.00 0.02 0.00 0.00 61.00 63.78 1isa s PRO 5 Cb -0.25 -2.41 -0.02 0.00 0.02 0.00 0.00 34.50 31.83 1isa s PRO 5 CO 0.25 -1.01 1.15 0.00 -0.33 0.00 0.00 177.00 177.06 1isa s ALA 6 N -1.28 2.51 0.26 -1.55 0.00 -1.26 -4.99 121.76 115.45 1isa s ALA 6 Ca 0.67 0.78 -0.30 0.00 0.00 0.00 0.00 51.96 53.11 1isa s ALA 6 Cb -0.41 -3.38 -0.09 0.00 0.00 0.00 0.00 23.12 19.24 1isa s ALA 6 CO 0.50 -1.16 1.08 -1.17 0.00 0.00 0.00 175.76 175.01 1isa s LEU 7 N -4.39 4.55 -0.02 0.00 2.96 -1.26 -4.94 118.68 115.59 1isa s LEU 7 Ca 0.72 2.21 0.03 0.00 -0.22 0.00 0.00 54.13 56.87 1isa s LEU 7 Cb -0.25 -3.62 0.13 0.00 0.50 0.00 0.00 46.19 42.95 1isa s LEU 7 CO 0.35 -0.13 0.95 -0.81 -1.32 0.00 0.00 176.35 175.40 1isa n PRO 8 N 1.45 1.45 -3.87 0.98 -0.04 -1.26 -4.82 135.00 128.88 1isa n PRO 8 Ca -0.00 -0.50 -0.09 0.00 -0.04 0.00 0.00 63.50 62.86 1isa n PRO 8 Cb 0.45 -1.31 -0.05 0.00 -0.04 0.00 0.00 33.50 32.56 1isa n PRO 8 CO 0.00 0.00 0.00 1.52 -0.04 0.00 0.00 175.50 176.98 1isa s TYR 9 N -1.63 0.13 0.74 0.54 -0.85 -1.26 -5.09 117.35 109.93 1isa s TYR 9 Ca 0.09 -0.49 -0.11 0.00 -0.52 0.00 0.00 57.07 56.04 1isa s TYR 9 Cb 0.06 0.27 0.04 0.00 0.38 0.00 0.00 41.96 42.70 1isa s TYR 9 CO 0.05 -0.93 1.08 0.00 -1.52 0.00 0.00 175.55 174.22 1isa s ALA 10 N -3.94 2.42 0.53 9.51 0.00 -1.26 -4.93 121.76 124.09 1isa s ALA 10 Ca 0.15 0.21 0.23 0.00 0.00 0.00 0.00 51.96 52.55 1isa s ALA 10 Cb -0.01 -3.24 1.36 0.00 0.00 0.00 0.00 23.12 21.24 1isa s ALA 10 CO 0.02 -1.55 2.02 0.87 0.00 0.00 0.00 175.76 177.13 1isa h LYS 11 N -0.94 0.01 -0.70 0.00 6.56 -1.97 -1.60 116.57 117.93 1isa h LYS 11 Ca -0.44 -0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.15 1isa h LYS 11 Cb 1.22 -0.00 0.00 0.00 -0.57 0.00 0.00 32.23 32.88 1isa h LYS 11 CO 0.53 0.01 0.00 -0.40 -2.06 0.00 0.00 179.45 177.53 1isa n ASP 12 N -4.41 3.87 0.02 0.86 5.75 -1.26 -4.21 116.55 117.17 1isa n ASP 12 Ca 0.07 -2.00 0.11 0.00 -0.01 0.00 0.00 54.79 52.96 1isa n ASP 12 Cb 0.50 -0.46 0.46 0.00 -1.03 0.00 0.00 41.12 40.59 1isa n ASP 12 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1isa n ALA 13 N 1.55 2.00 1.01 2.12 0.00 -0.60 -3.01 120.51 123.57 1isa n ALA 13 Ca 0.23 -0.05 0.12 0.00 0.00 0.00 0.00 53.44 53.74 1isa n ALA 13 Cb 0.61 -1.37 0.05 0.00 0.00 0.00 0.00 19.45 18.73 1isa n ALA 13 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1isa n LEU 14 N -1.66 2.43 -4.77 0.00 4.77 -1.26 -4.29 117.00 112.22 1isa n LEU 14 Ca 0.05 -0.85 -0.40 0.00 -0.03 0.00 0.00 56.01 54.77 1isa n LEU 14 Cb 0.27 -0.00 -0.01 0.00 -2.33 0.00 0.00 43.42 41.35 1isa n LEU 14 CO 0.21 0.43 1.04 0.00 -1.33 0.00 0.00 177.39 177.74 1isa s ALA 15 N -2.27 3.44 -2.23 -1.18 0.00 -0.95 -0.67 121.76 117.91 1isa s ALA 15 Ca 0.23 1.39 0.22 0.00 0.00 0.00 0.00 51.96 53.80 1isa s ALA 15 Cb 0.19 -3.54 0.95 0.00 0.00 0.00 0.00 23.12 20.72 1isa s ALA 15 CO 0.45 -0.89 1.66 -0.35 0.00 0.00 0.00 175.76 176.63 1isa n PRO 16 N 0.42 1.50 -0.05 0.00 -0.04 -1.26 -4.89 135.00 130.69 1isa n PRO 16 Ca 0.02 -0.75 -0.15 0.00 -0.04 0.00 0.00 63.50 62.57 1isa n PRO 16 Cb 0.41 -1.39 -0.07 0.00 -0.04 0.00 0.00 33.50 32.41 1isa n PRO 16 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1isa h HIS 17 N 1.58 0.73 -3.29 0.54 3.86 -1.26 -3.39 115.15 113.92 1isa h HIS 17 Ca 0.00 -0.29 -0.50 0.00 -1.16 0.00 0.00 60.37 58.42 1isa h HIS 17 Cb 0.34 -0.13 -0.36 0.00 1.06 0.00 0.00 27.41 28.33 1isa h HIS 17 CO 0.06 1.05 -0.80 0.42 0.86 0.00 0.00 177.93 179.52 1isa s ILE 18 N -3.90 0.96 0.82 2.45 1.01 -0.85 -4.90 121.20 116.80 1isa s ILE 18 Ca -0.13 -0.30 -0.11 0.00 0.00 0.00 0.00 60.65 60.11 1isa s ILE 18 Cb 0.06 -0.96 0.08 0.00 0.01 0.00 0.00 42.46 41.66 1isa s ILE 18 CO 0.83 0.34 1.09 -0.94 0.00 0.00 0.00 174.94 176.26 1isa s SER 19 N 1.29 4.17 0.30 3.58 1.04 -1.26 -2.23 113.70 120.60 1isa s SER 19 Ca -0.03 1.51 -0.00 0.00 0.48 0.00 0.00 55.95 57.91 1isa s SER 19 Cb -0.14 -2.23 0.48 0.00 0.10 0.00 0.00 66.02 64.23 1isa s SER 19 CO -0.03 -2.20 1.90 0.00 0.98 0.00 0.00 173.24 173.89 1isa h ALA 20 N -1.25 1.35 -0.63 5.32 0.00 -1.89 -2.00 119.26 120.15 1isa h ALA 20 Ca -0.47 -0.13 -0.07 0.00 0.00 0.00 0.00 54.91 54.24 1isa h ALA 20 Cb 1.26 -0.25 -0.03 0.00 0.00 0.00 0.00 17.79 18.78 1isa h ALA 20 CO 0.55 0.51 0.12 1.49 0.00 0.00 0.00 179.25 181.92 1isa h GLU 21 N 0.87 1.04 -0.68 0.00 4.81 -1.93 -0.02 114.58 118.66 1isa h GLU 21 Ca 0.21 -0.27 -0.07 0.00 -0.13 0.00 0.00 59.36 59.10 1isa h GLU 21 Cb 0.11 -0.13 -0.03 0.00 0.63 0.00 0.00 28.75 29.34 1isa h GLU 21 CO -0.03 0.96 0.14 1.15 -0.73 0.00 0.00 179.01 180.50 1isa h THR 22 N 0.95 1.26 0.00 0.32 2.02 -1.79 -2.28 112.91 113.39 1isa h THR 22 Ca 0.19 -0.99 -0.11 0.00 0.77 0.00 0.00 66.41 66.27 1isa h THR 22 Cb 0.41 0.60 -0.02 0.00 -1.74 0.00 0.00 68.15 67.40 1isa h THR 22 CO 0.01 0.38 -0.52 0.16 0.37 0.00 0.00 175.52 175.91 1isa h ILE 23 N 1.03 0.97 -0.72 3.11 -0.00 -1.01 0.27 117.51 121.17 1isa h ILE 23 Ca 0.21 -2.16 0.08 0.00 -0.00 0.00 0.00 64.86 62.99 1isa h ILE 23 Cb 0.40 2.33 -0.07 0.00 -0.00 0.00 0.00 36.82 39.48 1isa h ILE 23 CO 0.01 0.51 0.38 -0.08 -0.00 0.00 0.00 178.15 178.97 1isa h GLU 24 N 0.00 0.65 0.11 0.16 4.81 -0.59 0.16 114.58 119.88 1isa h GLU 24 Ca -0.01 -0.04 -0.16 0.00 -0.13 0.00 0.00 59.36 59.03 1isa h GLU 24 Cb 1.29 -0.15 0.01 0.00 0.63 0.00 0.00 28.75 30.54 1isa h GLU 24 CO 0.07 0.43 -0.70 1.88 -0.73 0.00 0.00 179.01 179.95 1isa h TYR 25 N 0.67 0.42 -0.24 0.92 0.05 -1.29 -2.15 116.97 115.35 1isa h TYR 25 Ca 0.34 -0.31 -0.06 0.00 0.05 0.00 0.00 58.73 58.75 1isa h TYR 25 Cb 0.30 -0.02 -0.01 0.00 1.01 0.00 0.00 36.73 38.02 1isa h TYR 25 CO -0.09 1.27 -0.10 1.25 -1.05 0.00 0.00 178.16 179.45 1isa h HIS 26 N -0.50 0.56 0.00 4.88 2.76 -0.85 0.33 115.15 122.33 1isa h HIS 26 Ca -0.13 -0.13 -0.11 0.00 -2.20 0.00 0.00 60.37 57.80 1isa h HIS 26 Cb 1.52 -0.13 -0.02 0.00 1.55 0.00 0.00 27.41 30.33 1isa h HIS 26 CO 0.21 0.74 -0.67 -0.92 -1.30 0.00 0.00 177.93 175.99 1isa h TYR 27 N 0.22 0.00 0.00 5.26 3.20 -0.86 -0.80 116.97 123.98 1isa h TYR 27 Ca 0.06 0.00 -0.03 0.00 3.14 0.00 0.00 58.73 61.89 1isa h TYR 27 Cb 0.58 0.00 -0.00 0.00 1.54 0.00 0.00 36.73 38.85 1isa h TYR 27 CO 0.06 0.95 -0.16 0.78 -1.64 0.00 0.00 178.16 178.15 1isa h GLY 28 N -1.00 0.00 0.00 1.82 0.00 -1.26 -2.77 103.07 99.87 1isa h GLY 28 Ca -0.16 0.00 -0.02 0.00 0.00 0.00 0.00 47.33 47.14 1isa h GLY 28 CO -0.10 0.00 -0.50 0.28 0.00 0.00 0.00 176.54 176.22 1isa n LYS 29 N -3.33 0.10 0.11 4.80 4.76 -0.28 -4.57 118.16 119.75 1isa n LYS 29 Ca 0.00 0.04 -0.13 0.00 -2.87 0.00 0.00 58.31 55.35 1isa n LYS 29 Cb 0.38 -0.67 -0.08 0.00 -1.84 0.00 0.00 35.03 32.82 1isa n LYS 29 CO 0.00 0.00 0.00 0.45 -1.37 0.00 0.00 177.40 176.48 1isa h HIS 30 N -0.18 -0.27 -0.55 2.13 3.86 -0.99 -0.82 115.15 118.32 1isa h HIS 30 Ca -0.04 -0.01 -0.09 0.00 -1.16 0.00 0.00 60.37 59.08 1isa h HIS 30 Cb 0.45 0.09 -0.02 0.00 1.06 0.00 0.00 27.41 28.99 1isa h HIS 30 CO -0.06 0.07 0.00 1.25 0.86 0.00 0.00 177.93 180.05 1isa h HIS 31 N -0.64 1.06 -0.68 2.45 -0.00 -1.15 -2.23 115.15 113.97 1isa h HIS 31 Ca -0.03 -0.18 0.05 0.00 -0.00 0.00 0.00 60.37 60.21 1isa h HIS 31 Cb 0.46 -0.28 -0.05 0.00 -0.00 0.00 0.00 27.41 27.54 1isa h HIS 31 CO 0.03 0.96 0.39 0.37 -0.00 0.00 0.00 177.93 179.68 1isa h GLN 32 N 0.85 0.70 -0.58 5.26 5.75 -1.52 -2.68 115.11 122.90 1isa h GLN 32 Ca 0.16 -0.04 -0.04 0.00 -0.15 0.00 0.00 58.65 58.57 1isa h GLN 32 Cb 0.54 -0.16 -0.03 0.00 1.07 0.00 0.00 27.48 28.90 1isa h GLN 32 CO 0.03 0.47 0.18 1.15 -2.65 0.00 0.00 178.83 178.00 1isa h THR 33 N 0.73 1.22 -0.72 2.39 2.02 -0.57 -1.46 112.91 116.52 1isa h THR 33 Ca 0.30 -0.77 -0.04 0.00 0.77 0.00 0.00 66.41 66.67 1isa h THR 33 Cb 0.16 0.59 -0.03 0.00 -1.74 0.00 0.00 68.15 67.12 1isa h THR 33 CO -0.17 0.29 0.29 1.88 0.37 0.00 0.00 175.52 178.18 1isa h TYR 34 N 0.85 1.08 -0.16 3.16 0.05 -1.10 0.89 116.97 121.74 1isa h TYR 34 Ca 0.19 -0.07 -0.03 0.00 0.05 0.00 0.00 58.73 58.86 1isa h TYR 34 Cb 0.25 -0.33 -0.00 0.00 1.01 0.00 0.00 36.73 37.66 1isa h TYR 34 CO 0.02 0.82 -0.04 0.28 -1.05 0.00 0.00 178.16 178.19 1isa h VAL 35 N 1.04 1.29 -0.55 -2.88 2.07 -1.17 -1.08 116.25 114.98 1isa h VAL 35 Ca 0.24 -0.99 0.00 0.00 0.82 0.00 0.00 66.70 66.77 1isa h VAL 35 Cb 0.20 1.62 -0.03 0.00 -1.52 0.00 0.00 31.29 31.56 1isa h VAL 35 CO -0.02 0.29 0.36 0.74 0.02 0.00 0.00 177.57 178.96 1isa h THR 36 N 0.00 1.15 -0.60 2.57 2.02 -1.09 -0.64 112.91 116.33 1isa h THR 36 Ca 0.04 -0.28 -0.08 0.00 0.77 0.00 0.00 66.41 66.86 1isa h THR 36 Cb 0.47 0.35 -0.02 0.00 -1.74 0.00 0.00 68.15 67.20 1isa h THR 36 CO 0.02 0.14 0.07 0.78 0.37 0.00 0.00 175.52 176.90 1isa h ASN 37 N 0.74 0.95 -0.25 4.18 -0.26 -0.77 -1.97 115.58 118.21 1isa h ASN 37 Ca 0.20 -0.23 -0.04 0.00 -0.56 0.00 0.00 56.30 55.67 1isa h ASN 37 Cb -0.07 -0.25 -0.01 0.00 -1.06 0.00 0.00 38.32 36.93 1isa h ASN 37 CO -0.04 0.97 -0.01 0.25 -1.06 0.00 0.00 177.43 177.54 1isa h LEU 38 N 0.93 0.45 -1.22 1.61 5.85 -0.93 -0.81 115.31 121.18 1isa h LEU 38 Ca 0.18 -0.32 0.02 0.00 0.84 0.00 0.00 57.88 58.61 1isa h LEU 38 Cb 0.44 -0.12 -0.04 0.00 0.37 0.00 0.00 40.66 41.31 1isa h LEU 38 CO 0.02 0.66 0.54 0.78 -0.34 0.00 0.00 178.44 180.09 1isa h ASN 39 N 0.22 0.89 -0.15 1.25 2.35 -0.95 -2.13 115.58 117.06 1isa h ASN 39 Ca 0.07 -0.02 -0.16 0.00 -0.55 0.00 0.00 56.30 55.65 1isa h ASN 39 Cb 0.44 -0.21 -0.01 0.00 0.05 0.00 0.00 38.32 38.59 1isa h ASN 39 CO 0.02 0.62 -0.46 0.78 -1.65 0.00 0.00 177.43 176.74 1isa h ASN 40 N 1.04 0.77 0.81 5.81 2.35 -1.17 -2.97 115.58 122.23 1isa h ASN 40 Ca 0.31 -0.37 -0.13 0.00 -0.55 0.00 0.00 56.30 55.56 1isa h ASN 40 Cb -0.03 -0.22 -0.02 0.00 0.05 0.00 0.00 38.32 38.11 1isa h ASN 40 CO -0.08 1.11 -0.60 -0.07 -1.65 0.00 0.00 177.43 176.13 1isa h LEU 41 N 0.57 0.00 -0.38 1.61 3.38 -0.57 -3.32 115.31 116.60 1isa h LEU 41 Ca 0.03 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.00 1isa h LEU 41 Cb 1.01 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.76 1isa h LEU 41 CO 0.10 0.60 -0.66 2.30 0.09 0.00 0.00 178.44 180.87 1isa n ILE 42 N -3.61 0.00 -1.71 1.22 -5.35 -0.85 -4.87 119.36 104.19 1isa n ILE 42 Ca -0.00 -0.10 -0.42 0.00 -0.27 0.00 0.00 62.75 61.96 1isa n ILE 42 Cb 0.65 0.88 -0.03 0.00 -1.74 0.00 0.00 39.64 39.40 1isa n ILE 42 CO 0.00 0.00 0.00 -0.75 -1.76 0.00 0.00 176.55 174.04 1isa s LYS 43 N -2.77 4.13 0.00 6.28 2.20 -1.12 -1.39 119.74 127.06 1isa s LYS 43 Ca 0.14 2.61 0.00 0.00 -0.36 0.00 0.00 55.97 58.36 1isa s LYS 43 Cb 0.17 -3.48 0.00 0.00 -1.51 0.00 0.00 37.83 33.01 1isa s LYS 43 CO 0.70 -0.83 0.00 0.41 -0.36 0.00 0.00 175.35 175.27 1isa n GLY 44 N 4.19 0.60 3.81 5.54 0.00 -1.26 -5.03 105.19 113.03 1isa n GLY 44 Ca 0.17 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.94 1isa n GLY 44 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1isa s THR 45 N -2.35 2.07 -0.63 2.61 -4.23 -0.49 -5.02 115.64 107.61 1isa s THR 45 Ca 0.00 -1.62 0.21 0.00 -1.18 0.00 0.00 61.69 59.11 1isa s THR 45 Cb 0.00 -2.69 0.22 0.00 1.34 0.00 0.00 72.50 71.37 1isa s THR 45 CO 0.00 0.00 1.65 0.00 -0.54 0.00 0.00 174.62 175.73 1isa n ALA 46 N -1.43 1.68 0.22 3.99 0.00 -1.26 -2.25 120.51 121.46 1isa n ALA 46 Ca -0.02 0.05 0.11 0.00 0.00 0.00 0.00 53.44 53.57 1isa n ALA 46 Cb 0.64 -1.35 0.39 0.00 0.00 0.00 0.00 19.45 19.13 1isa n ALA 46 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 177.50 178.24 1isa h PHE 47 N 0.00 0.00 -3.33 0.00 0.04 -1.96 -3.42 116.94 108.27 1isa h PHE 47 Ca 0.00 0.00 -0.52 0.00 2.80 0.00 0.00 57.97 60.25 1isa h PHE 47 Cb 0.35 0.00 0.04 0.00 2.20 0.00 0.00 35.95 38.53 1isa h PHE 47 CO 0.00 0.18 0.69 -2.00 -0.60 0.00 0.00 178.31 176.58 1isa s GLU 48 N -3.48 4.35 0.00 1.51 2.12 -0.95 -1.88 118.70 120.37 1isa s GLU 48 Ca 0.02 2.12 0.00 0.00 0.36 0.00 0.00 54.97 57.47 1isa s GLU 48 Cb 0.09 -3.18 0.00 0.00 0.26 0.00 0.00 34.13 31.30 1isa s GLU 48 CO 0.64 -0.32 0.00 0.41 -0.54 0.00 0.00 175.26 175.45 1isa n GLY 49 N 2.49 1.72 3.91 -1.50 0.00 -1.26 -4.99 105.19 105.55 1isa n GLY 49 Ca 0.07 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.82 1isa n GLY 49 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1isa s LYS 50 N -0.60 3.25 0.75 1.61 1.02 -0.79 -5.07 119.74 119.91 1isa s LYS 50 Ca 0.00 0.11 -0.12 0.00 0.02 0.00 0.00 55.97 55.98 1isa s LYS 50 Cb 0.00 -2.32 0.04 0.00 -0.52 0.00 0.00 37.83 35.02 1isa s LYS 50 CO 0.00 -0.44 1.11 -1.54 -0.92 0.00 0.00 175.35 173.56 1isa s SER 51 N -4.20 5.06 0.24 2.83 1.04 -1.26 -4.87 113.70 112.55 1isa s SER 51 Ca 0.51 1.11 -0.07 0.00 0.48 0.00 0.00 55.95 57.98 1isa s SER 51 Cb -0.10 -1.84 0.24 0.00 0.10 0.00 0.00 66.02 64.41 1isa s SER 51 CO 0.45 -1.58 1.92 0.25 0.98 0.00 0.00 173.24 175.26 1isa h LEU 52 N -0.82 1.09 -0.76 2.42 5.85 -1.97 -0.97 115.31 120.14 1isa h LEU 52 Ca -0.46 -0.03 -0.12 0.00 0.84 0.00 0.00 57.88 58.12 1isa h LEU 52 Cb 1.27 -0.27 -0.01 0.00 0.37 0.00 0.00 40.66 42.02 1isa h LEU 52 CO 0.63 0.79 -0.36 -0.33 -0.34 0.00 0.00 178.44 178.83 1isa h GLU 53 N 1.29 0.52 -0.30 1.25 3.07 -1.97 -0.98 114.58 117.46 1isa h GLU 53 Ca 0.35 -0.24 -0.16 0.00 -0.50 0.00 0.00 59.36 58.81 1isa h GLU 53 Cb -0.14 -0.01 -0.01 0.00 -0.84 0.00 0.00 28.75 27.75 1isa h GLU 53 CO -0.08 0.81 -0.43 0.93 -1.40 0.00 0.00 179.01 178.83 1isa h GLU 54 N 0.44 0.76 -0.30 2.33 5.08 -1.77 -0.75 114.58 120.37 1isa h GLU 54 Ca 0.05 -0.42 -0.02 0.00 -1.00 0.00 0.00 59.36 57.97 1isa h GLU 54 Cb 0.83 0.02 -0.01 0.00 0.50 0.00 0.00 28.75 30.09 1isa h GLU 54 CO 0.07 1.05 0.12 0.82 -1.00 0.00 0.00 179.01 180.06 1isa h ILE 55 N 0.62 1.18 -0.85 3.13 2.04 -0.94 -1.94 117.51 120.75 1isa h ILE 55 Ca 0.04 -0.54 0.01 0.00 1.00 0.00 0.00 64.86 65.37 1isa h ILE 55 Cb 1.00 0.98 -0.04 0.00 -0.74 0.00 0.00 36.82 38.01 1isa h ILE 55 CO 0.09 0.19 0.56 0.40 0.00 0.00 0.00 178.15 179.39 1isa h ILE 56 N 0.33 1.21 0.00 -0.67 2.04 -0.88 -1.87 117.51 117.67 1isa h ILE 56 Ca 0.10 -0.39 0.00 0.00 1.00 0.00 0.00 64.86 65.57 1isa h ILE 56 Cb 0.18 -0.03 0.00 0.00 -0.74 0.00 0.00 36.82 36.23 1isa h ILE 56 CO -0.01 0.21 0.00 0.54 0.00 0.00 0.00 178.15 178.89 1isa n ARG 57 N -4.50 0.11 0.00 2.37 1.74 -0.31 -3.79 116.66 112.28 1isa n ARG 57 Ca 0.09 0.21 0.00 0.00 -0.77 0.00 0.00 57.85 57.38 1isa n ARG 57 Cb 0.02 -1.67 0.00 0.00 -1.02 0.00 0.00 32.46 29.79 1isa n ARG 57 CO 0.00 0.00 0.00 -1.13 -1.52 0.00 0.00 177.63 174.98 1isa n SER 58 N -1.87 0.89 -4.87 0.55 3.41 -0.75 -5.07 113.62 105.91 1isa n SER 58 Ca 0.05 -1.00 -0.26 0.00 -0.26 0.00 0.00 58.87 57.39 1isa n SER 58 Cb 0.30 0.00 -0.02 0.00 -0.26 0.00 0.00 64.21 64.22 1isa n SER 58 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 1isa s SER 59 N -0.00 4.59 0.30 4.04 1.04 -0.76 -5.07 113.70 117.84 1isa s SER 59 Ca 0.00 -1.23 -0.02 0.00 0.48 0.00 0.00 55.95 55.18 1isa s SER 59 Cb 0.00 0.24 0.01 0.00 0.10 0.00 0.00 66.02 66.36 1isa s SER 59 CO 0.00 -0.97 0.43 -1.84 0.98 0.00 0.00 173.24 171.83 1isa n GLU 60 N -1.63 0.61 0.00 4.02 0.28 -1.26 -4.79 120.64 117.88 1isa n GLU 60 Ca -0.03 -2.41 0.00 0.00 -0.16 0.00 0.00 57.16 54.57 1isa n GLU 60 Cb 0.64 2.33 0.00 0.00 1.43 0.00 0.00 31.44 35.84 1isa n GLU 60 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 1isa n GLY 61 N -0.50 0.15 0.23 -1.84 0.00 -1.26 -2.97 105.19 99.01 1isa n GLY 61 Ca 0.00 -0.91 0.08 0.00 0.00 0.00 0.00 46.02 45.19 1isa n GLY 61 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1isa h GLY 62 N 0.00 0.00 0.80 -0.02 0.00 -2.00 -1.11 103.07 100.73 1isa h GLY 62 Ca 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 47.33 47.29 1isa h GLY 62 CO 0.00 0.00 -0.04 -2.08 0.00 0.00 0.00 176.54 174.42 1isa h VAL 63 N 0.00 1.28 -0.01 4.60 2.07 -1.97 -1.80 116.25 120.42 1isa h VAL 63 Ca -0.00 -0.99 -0.00 0.00 0.82 0.00 0.00 66.70 66.53 1isa h VAL 63 Cb 0.48 1.55 -0.00 0.00 -1.52 0.00 0.00 31.29 31.80 1isa h VAL 63 CO 0.03 0.30 0.00 0.15 0.02 0.00 0.00 177.57 178.07 1isa h PHE 64 N 0.08 0.01 -0.45 1.57 3.57 -1.35 -0.97 116.94 119.41 1isa h PHE 64 Ca 0.05 -0.00 0.05 0.00 3.53 0.00 0.00 57.97 61.60 1isa h PHE 64 Cb 0.47 -0.00 -0.05 0.00 2.79 0.00 0.00 35.95 39.16 1isa h PHE 64 CO 0.05 0.13 0.18 -0.91 -2.23 0.00 0.00 178.31 175.53 1isa h ASN 65 N -0.10 0.21 -0.10 0.41 2.35 -1.09 0.10 115.58 117.36 1isa h ASN 65 Ca 0.00 0.04 -0.14 0.00 -0.55 0.00 0.00 56.30 55.65 1isa h ASN 65 Cb 0.12 0.01 0.01 0.00 0.05 0.00 0.00 38.32 38.51 1isa h ASN 65 CO -0.00 0.16 -0.50 0.78 -1.65 0.00 0.00 177.43 176.21 1isa h ASN 66 N 0.36 0.62 -0.06 5.81 4.21 -1.32 -2.10 115.58 123.10 1isa h ASN 66 Ca 0.21 -0.64 0.01 0.00 1.21 0.00 0.00 56.30 57.08 1isa h ASN 66 Cb 0.18 -0.18 -0.01 0.00 -1.12 0.00 0.00 38.32 37.19 1isa h ASN 66 CO -0.19 1.16 0.00 0.00 -1.29 0.00 0.00 177.43 177.11 1isa h ALA 67 N 0.47 0.05 -0.66 -0.83 0.00 -0.99 -1.44 119.26 115.86 1isa h ALA 67 Ca -0.03 0.01 -0.05 0.00 0.00 0.00 0.00 54.91 54.84 1isa h ALA 67 Cb 1.15 0.02 -0.03 0.00 0.00 0.00 0.00 17.79 18.93 1isa h ALA 67 CO 0.10 -0.47 0.23 0.00 0.00 0.00 0.00 179.25 179.11 1isa h ALA 68 N 1.04 0.86 -0.20 0.00 0.00 -0.89 -2.54 119.26 117.53 1isa h ALA 68 Ca 0.02 -0.20 -0.06 0.00 0.00 0.00 0.00 54.91 54.68 1isa h ALA 68 Cb 0.02 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.55 1isa h ALA 68 CO -0.04 0.51 -0.14 1.96 0.00 0.00 0.00 179.25 181.54 1isa h GLN 69 N 0.94 0.33 -0.10 0.00 1.08 -1.16 0.11 115.11 116.31 1isa h GLN 69 Ca 0.21 -0.08 -0.00 0.00 -1.45 0.00 0.00 58.65 57.33 1isa h GLN 69 Cb 0.26 -0.04 -0.00 0.00 -0.05 0.00 0.00 27.48 27.65 1isa h GLN 69 CO -0.01 0.47 0.05 0.28 -0.95 0.00 0.00 178.83 178.67 1isa h VAL 70 N 0.31 1.11 -0.19 -0.54 2.07 -0.93 -1.83 116.25 116.25 1isa h VAL 70 Ca 0.06 -0.32 -0.02 0.00 0.82 0.00 0.00 66.70 67.24 1isa h VAL 70 Cb 0.44 1.15 -0.01 0.00 -1.52 0.00 0.00 31.29 31.35 1isa h VAL 70 CO 0.03 0.10 0.05 -0.25 0.02 0.00 0.00 177.57 177.52 1isa h TRP 71 N 0.03 0.32 -0.69 1.57 7.01 -1.15 -2.40 115.95 120.64 1isa h TRP 71 Ca 0.03 -0.04 0.02 0.00 2.11 0.00 0.00 58.89 61.02 1isa h TRP 71 Cb 0.12 -0.09 -0.04 0.00 -2.10 0.00 0.00 29.16 27.05 1isa h TRP 71 CO -0.03 0.42 0.44 -0.91 -2.79 0.00 0.00 178.44 175.57 1isa h ASN 72 N 0.13 0.74 -0.00 2.65 2.35 -0.77 -1.64 115.58 119.04 1isa h ASN 72 Ca 0.06 -0.01 -0.17 0.00 -0.55 0.00 0.00 56.30 55.64 1isa h ASN 72 Cb 0.25 -0.17 -0.00 0.00 0.05 0.00 0.00 38.32 38.45 1isa h ASN 72 CO -0.00 0.52 -0.56 0.45 -1.65 0.00 0.00 177.43 176.19 1isa h HIS 73 N 0.88 0.75 -0.77 1.19 3.86 -1.26 -0.90 115.15 118.90 1isa h HIS 73 Ca 0.27 -0.27 -0.05 0.00 -1.16 0.00 0.00 60.37 59.16 1isa h HIS 73 Cb -0.03 -0.14 -0.03 0.00 1.06 0.00 0.00 27.41 28.26 1isa h HIS 73 CO -0.04 1.02 0.29 1.15 0.86 0.00 0.00 177.93 181.21 1isa h THR 74 N 0.45 1.26 -0.27 2.45 2.02 -0.95 -1.44 112.91 116.43 1isa h THR 74 Ca 0.01 -0.85 -0.02 0.00 0.77 0.00 0.00 66.41 66.31 1isa h THR 74 Cb 1.12 0.36 -0.01 0.00 -1.74 0.00 0.00 68.15 67.87 1isa h THR 74 CO 0.11 0.34 0.07 0.15 0.37 0.00 0.00 175.52 176.56 1isa h PHE 75 N 1.13 0.44 -0.42 3.16 3.57 -1.20 -2.28 116.94 121.34 1isa h PHE 75 Ca 0.26 -0.05 0.05 0.00 3.53 0.00 0.00 57.97 61.75 1isa h PHE 75 Cb 0.24 -0.13 -0.05 0.00 2.79 0.00 0.00 35.95 38.81 1isa h PHE 75 CO 0.02 0.50 0.16 -0.92 -2.23 0.00 0.00 178.31 175.84 1isa h TYR 76 N 0.26 0.28 -0.18 0.41 3.20 -0.81 -1.44 116.97 118.71 1isa h TYR 76 Ca 0.08 0.02 -0.06 0.00 3.14 0.00 0.00 58.73 61.91 1isa h TYR 76 Cb 0.27 -0.07 -0.01 0.00 1.54 0.00 0.00 36.73 38.46 1isa h TYR 76 CO 0.01 0.11 -0.17 -1.49 -1.64 0.00 0.00 178.16 174.99 1isa h TRP 77 N 0.33 0.31 0.00 -3.82 -0.00 -1.09 -1.81 115.95 109.86 1isa h TRP 77 Ca 0.19 -0.04 0.00 0.00 -0.00 0.00 0.00 58.89 59.04 1isa h TRP 77 Cb 0.17 -0.08 0.00 0.00 -0.00 0.00 0.00 29.16 29.25 1isa h TRP 77 CO -0.14 0.45 0.00 -0.91 -0.00 0.00 0.00 178.44 177.84 1isa h ASN 78 N 0.27 0.00 0.71 -3.49 -0.26 -0.77 -2.78 115.58 109.26 1isa h ASN 78 Ca 0.05 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 55.79 1isa h ASN 78 Cb 0.46 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.72 1isa h ASN 78 CO 0.03 0.00 0.00 0.00 -1.06 0.00 0.00 177.43 176.40 1isa s LEU 80 N -2.75 2.45 -0.03 0.00 1.43 -1.05 -0.93 118.68 117.79 1isa s LEU 80 Ca 0.21 -0.68 -0.27 0.00 -1.03 0.00 0.00 54.13 52.36 1isa s LEU 80 Cb 0.19 -1.33 0.06 0.00 0.03 0.00 0.00 46.19 45.14 1isa s LEU 80 CO 0.46 0.18 0.60 0.00 0.23 0.00 0.00 176.35 177.82 1isa s ALA 81 N -1.08 -1.55 0.68 4.21 0.00 0.27 -4.73 121.76 119.56 1isa s ALA 81 Ca 0.15 1.06 -0.16 0.00 0.00 0.00 0.00 51.96 53.02 1isa s ALA 81 Cb -0.10 0.06 0.01 0.00 0.00 0.00 0.00 23.12 23.09 1isa s ALA 81 CO 0.07 -0.37 1.19 -1.25 0.00 0.00 0.00 175.76 175.40 1isa s PRO 82 N -1.36 2.48 -1.40 0.00 0.04 -1.26 -4.02 135.00 129.48 1isa s PRO 82 Ca -0.11 1.70 -0.07 0.00 0.04 0.00 0.00 61.00 62.56 1isa s PRO 82 Cb -0.01 -1.88 0.04 0.00 0.04 0.00 0.00 34.50 32.69 1isa s PRO 82 CO 0.08 -1.56 0.93 0.09 0.04 0.00 0.00 177.00 176.58 1isa n ASN 83 N -2.38 -3.69 0.00 6.66 5.03 -1.26 -4.93 115.26 114.70 1isa n ASN 83 Ca 0.13 -0.74 0.00 0.00 0.87 0.00 0.00 54.58 54.84 1isa n ASN 83 Cb 0.50 -4.25 0.00 0.00 -1.02 0.00 0.00 39.78 35.01 1isa n ASN 83 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 1isa n ALA 84 N -4.57 0.00 -0.19 5.41 0.00 -1.26 -5.12 120.51 114.79 1isa n ALA 84 Ca -0.10 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.34 1isa n ALA 84 Cb 0.59 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.04 1isa n ALA 84 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1isa n GLY 85 N 0.31 -1.16 7.00 0.00 0.00 0.11 -4.78 105.19 106.67 1isa n GLY 85 Ca 0.00 -1.24 0.00 0.00 0.00 0.00 0.00 46.02 44.78 1isa n GLY 85 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1isa n GLY 86 N 0.00 -1.04 3.83 -0.02 0.00 -1.23 -4.84 105.19 101.89 1isa n GLY 86 Ca 0.00 -1.19 -0.37 0.00 0.00 0.00 0.00 46.02 44.47 1isa n GLY 86 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1isa s GLU 87 N 0.00 4.07 0.84 1.61 2.02 -1.26 -5.00 118.70 120.98 1isa s GLU 87 Ca 0.00 0.59 -0.11 0.00 0.02 0.00 0.00 54.97 55.47 1isa s GLU 87 Cb 0.00 -3.07 0.10 0.00 0.10 0.00 0.00 34.13 31.26 1isa s GLU 87 CO 0.00 0.55 1.09 -1.25 0.02 0.00 0.00 175.26 175.68 1isa s PRO 88 N -1.57 1.68 0.37 0.39 0.04 -1.26 -5.09 135.00 129.56 1isa s PRO 88 Ca 0.34 1.00 0.04 0.00 0.04 0.00 0.00 61.00 62.41 1isa s PRO 88 Cb -0.17 -1.84 -0.03 0.00 0.04 0.00 0.00 34.50 32.50 1isa s PRO 88 CO 0.19 -2.00 0.15 0.95 0.04 0.00 0.00 177.00 176.33 1isa s THR 89 N -2.91 0.49 0.00 1.26 -4.23 -1.26 -4.62 115.64 104.38 1isa s THR 89 Ca 0.63 -2.00 0.00 0.00 -1.18 0.00 0.00 61.69 59.14 1isa s THR 89 Cb -0.18 -2.42 0.00 0.00 1.34 0.00 0.00 72.50 71.24 1isa s THR 89 CO 0.57 0.00 0.00 0.61 -0.54 0.00 0.00 174.62 175.26 1isa n GLY 90 N -0.79 2.02 0.29 3.99 0.00 -1.26 -2.71 105.19 106.72 1isa n GLY 90 Ca -0.03 -0.57 -0.09 0.00 0.00 0.00 0.00 46.02 45.33 1isa n GLY 90 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1isa h LYS 91 N 0.00 0.99 -0.24 1.61 1.79 -1.99 -1.61 116.57 117.12 1isa h LYS 91 Ca 0.00 -0.37 -0.03 0.00 -2.18 0.00 0.00 60.65 58.07 1isa h LYS 91 Cb 0.00 -0.06 -0.01 0.00 -1.58 0.00 0.00 32.23 30.58 1isa h LYS 91 CO 0.00 1.04 0.02 0.28 -1.08 0.00 0.00 179.45 179.71 1isa h VAL 92 N 0.88 1.24 -0.90 0.50 2.07 -1.96 -1.22 116.25 116.86 1isa h VAL 92 Ca 0.13 -0.85 -0.00 0.00 0.82 0.00 0.00 66.70 66.81 1isa h VAL 92 Cb 0.68 1.33 -0.04 0.00 -1.52 0.00 0.00 31.29 31.74 1isa h VAL 92 CO 0.05 0.27 0.55 0.00 0.02 0.00 0.00 177.57 178.46 1isa h ALA 93 N 0.82 1.28 -0.16 1.67 0.00 -1.28 -1.09 119.26 120.51 1isa h ALA 93 Ca 0.07 -0.09 -0.01 0.00 0.00 0.00 0.00 54.91 54.88 1isa h ALA 93 Cb 0.38 -0.36 -0.01 0.00 0.00 0.00 0.00 17.79 17.80 1isa h ALA 93 CO 0.01 0.63 0.06 0.93 0.00 0.00 0.00 179.25 180.87 1isa h GLU 94 N 1.23 0.24 -0.79 0.00 5.08 -0.93 -0.67 114.58 118.74 1isa h GLU 94 Ca 0.32 -0.05 -0.04 0.00 -1.00 0.00 0.00 59.36 58.59 1isa h GLU 94 Cb -0.07 -0.04 -0.04 0.00 0.50 0.00 0.00 28.75 29.11 1isa h GLU 94 CO -0.06 0.34 0.32 0.00 -1.00 0.00 0.00 179.01 178.61 1isa h ALA 95 N 0.88 1.03 -0.15 3.43 0.00 -0.97 -0.93 119.26 122.56 1isa h ALA 95 Ca 0.05 -0.19 -0.01 0.00 0.00 0.00 0.00 54.91 54.75 1isa h ALA 95 Cb 0.20 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 17.67 1isa h ALA 95 CO -0.00 0.65 0.04 0.82 0.00 0.00 0.00 179.25 180.76 1isa h ILE 96 N 1.15 1.19 -0.86 0.00 2.04 -1.07 -2.13 117.51 117.83 1isa h ILE 96 Ca 0.26 -0.61 0.01 0.00 1.00 0.00 0.00 64.86 65.53 1isa h ILE 96 Cb 0.21 1.31 -0.04 0.00 -0.74 0.00 0.00 36.82 37.56 1isa h ILE 96 CO -0.02 0.18 0.57 0.00 0.00 0.00 0.00 178.15 178.88 1isa h ALA 97 N 0.85 1.38 -0.23 1.87 0.00 -0.97 -0.54 119.26 121.62 1isa h ALA 97 Ca 0.05 -0.06 -0.06 0.00 0.00 0.00 0.00 54.91 54.84 1isa h ALA 97 Cb 0.25 -0.35 -0.01 0.00 0.00 0.00 0.00 17.79 17.67 1isa h ALA 97 CO -0.00 0.57 -0.12 0.00 0.00 0.00 0.00 179.25 179.71 1isa h ALA 98 N 1.46 1.38 0.00 0.00 0.00 -0.99 0.29 119.26 121.39 1isa h ALA 98 Ca 0.32 -0.24 -0.16 0.00 0.00 0.00 0.00 54.91 54.83 1isa h ALA 98 Cb -0.13 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 17.51 1isa h ALA 98 CO -0.07 0.43 -1.96 0.43 0.00 0.00 0.00 179.25 178.07 1isa n SER 99 N -4.24 0.22 -0.05 0.00 7.64 -0.82 -4.58 113.62 111.80 1isa n SER 99 Ca 0.00 0.10 0.01 0.00 1.01 0.00 0.00 58.87 59.98 1isa n SER 99 Cb 0.29 1.19 0.01 0.00 -1.01 0.00 0.00 64.21 64.69 1isa n SER 99 CO 0.00 0.00 0.00 0.49 -3.01 0.00 0.00 175.04 172.52 1isa n PHE 100 N -2.58 0.00 0.00 1.43 3.72 -0.23 -4.97 117.46 114.83 1isa n PHE 100 Ca -0.15 -0.05 0.00 0.00 -0.05 0.00 0.00 57.45 57.20 1isa n PHE 100 Cb 0.83 -0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.37 1isa n PHE 100 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1isa n GLY 101 N 0.02 2.06 3.57 1.37 0.00 0.10 -4.53 105.19 107.78 1isa n GLY 101 Ca 0.01 -0.30 -0.10 0.00 0.00 0.00 0.00 46.02 45.63 1isa n GLY 101 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1isa s SER 102 N 0.00 -0.32 0.16 1.61 1.04 -1.26 -4.76 113.70 110.17 1isa s SER 102 Ca 0.00 -0.41 -0.11 0.00 0.48 0.00 0.00 55.95 55.90 1isa s SER 102 Cb 0.00 0.61 0.05 0.00 0.10 0.00 0.00 66.02 66.78 1isa s SER 102 CO 0.00 -1.10 1.64 0.15 0.98 0.00 0.00 173.24 174.92 1isa h PHE 103 N 2.12 0.99 -0.89 5.02 3.57 -1.90 -1.70 116.94 124.15 1isa h PHE 103 Ca -0.28 -0.15 0.02 0.00 3.53 0.00 0.00 57.97 61.09 1isa h PHE 103 Cb 1.27 -0.27 -0.05 0.00 2.79 0.00 0.00 35.95 39.69 1isa h PHE 103 CO 0.34 0.88 0.59 0.00 -2.23 0.00 0.00 178.31 177.89 1isa h ALA 104 N 0.99 1.39 -0.37 2.41 0.00 -1.96 0.01 119.26 121.73 1isa h ALA 104 Ca 0.16 -0.06 -0.15 0.00 0.00 0.00 0.00 54.91 54.87 1isa h ALA 104 Cb 0.44 -0.35 -0.01 0.00 0.00 0.00 0.00 17.79 17.88 1isa h ALA 104 CO 0.01 0.55 -0.34 -0.44 0.00 0.00 0.00 179.25 179.04 1isa h ASP 105 N 1.17 0.93 -0.16 0.00 3.32 -1.75 -2.01 116.42 117.93 1isa h ASP 105 Ca 0.33 -0.46 -0.00 0.00 0.02 0.00 0.00 57.03 56.92 1isa h ASP 105 Cb -0.09 -0.26 -0.01 0.00 0.22 0.00 0.00 39.33 39.19 1isa h ASP 105 CO -0.08 1.20 0.10 0.15 -1.72 0.00 0.00 179.24 178.89 1isa h PHE 106 N 0.68 0.21 -0.79 4.55 3.57 -0.70 -1.63 116.94 122.83 1isa h PHE 106 Ca 0.06 -0.00 0.02 0.00 3.53 0.00 0.00 57.97 61.58 1isa h PHE 106 Cb 0.92 -0.07 -0.04 0.00 2.79 0.00 0.00 35.95 39.55 1isa h PHE 106 CO 0.06 0.17 0.52 -0.22 -2.23 0.00 0.00 178.31 176.61 1isa h LYS 107 N 0.19 1.01 -0.55 1.11 3.64 -0.95 0.03 116.57 121.04 1isa h LYS 107 Ca 0.06 -0.06 -0.07 0.00 -1.27 0.00 0.00 60.65 59.31 1isa h LYS 107 Cb 0.02 -0.23 -0.02 0.00 -0.41 0.00 0.00 32.23 31.59 1isa h LYS 107 CO -0.01 0.67 0.08 0.00 -2.27 0.00 0.00 179.45 177.92 1isa h ALA 108 N 1.30 0.73 -0.20 5.00 0.00 -1.26 -1.24 119.26 123.60 1isa h ALA 108 Ca 0.30 -0.25 -0.17 0.00 0.00 0.00 0.00 54.91 54.79 1isa h ALA 108 Cb -0.07 -0.21 -0.00 0.00 0.00 0.00 0.00 17.79 17.50 1isa h ALA 108 CO -0.08 0.49 -0.56 1.96 0.00 0.00 0.00 179.25 181.05 1isa h GLN 109 N 0.81 0.63 0.02 0.00 4.20 -0.74 -1.16 115.11 118.87 1isa h GLN 109 Ca 0.17 -0.41 -0.00 0.00 0.06 0.00 0.00 58.65 58.47 1isa h GLN 109 Cb 0.42 0.05 0.00 0.00 0.30 0.00 0.00 27.48 28.25 1isa h GLN 109 CO 0.01 1.02 -0.01 0.35 -0.67 0.00 0.00 178.83 179.53 1isa h PHE 110 N 0.48 -0.02 -0.67 2.96 3.04 -0.94 -1.50 116.94 120.28 1isa h PHE 110 Ca 0.01 -0.00 0.11 0.00 3.98 0.00 0.00 57.97 62.06 1isa h PHE 110 Cb 1.13 0.01 -0.08 0.00 2.56 0.00 0.00 35.95 39.56 1isa h PHE 110 CO 0.05 0.30 0.27 1.15 -2.02 0.00 0.00 178.31 178.07 1isa h THR 111 N -0.35 0.75 -0.23 4.41 2.02 -1.25 -1.51 112.91 116.76 1isa h THR 111 Ca -0.00 -0.16 -0.01 0.00 0.77 0.00 0.00 66.41 67.01 1isa h THR 111 Cb 0.33 0.26 -0.01 0.00 -1.74 0.00 0.00 68.15 66.99 1isa h THR 111 CO 0.00 0.08 0.10 -0.78 0.37 0.00 0.00 175.52 175.30 1isa h ASP 112 N 0.46 0.31 -0.55 4.18 3.58 -1.05 -1.58 116.42 121.76 1isa h ASP 112 Ca 0.34 -0.14 -0.03 0.00 0.42 0.00 0.00 57.03 57.63 1isa h ASP 112 Cb 0.44 -0.08 -0.03 0.00 1.72 0.00 0.00 39.33 41.38 1isa h ASP 112 CO -0.33 0.36 0.25 0.00 -2.88 0.00 0.00 179.24 176.65 1isa h ALA 113 N 0.96 1.35 -0.22 -0.78 0.00 -1.07 -1.75 119.26 117.75 1isa h ALA 113 Ca 0.08 -0.14 -0.10 0.00 0.00 0.00 0.00 54.91 54.75 1isa h ALA 113 Cb 0.14 -0.24 -0.00 0.00 0.00 0.00 0.00 17.79 17.69 1isa h ALA 113 CO -0.01 0.50 -0.26 0.00 0.00 0.00 0.00 179.25 179.48 1isa h ALA 114 N 1.45 0.33 -0.53 0.00 0.00 -0.94 -1.86 119.26 117.71 1isa h ALA 114 Ca 0.20 -0.39 -0.10 0.00 0.00 0.00 0.00 54.91 54.63 1isa h ALA 114 Cb 0.13 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 17.83 1isa h ALA 114 CO -0.02 0.31 -0.06 0.82 0.00 0.00 0.00 179.25 180.30 1isa h ILE 115 N 0.25 1.26 0.00 0.00 2.04 -1.11 -3.03 117.51 116.92 1isa h ILE 115 Ca 0.03 -1.17 0.00 0.00 1.00 0.00 0.00 64.86 64.72 1isa h ILE 115 Cb 0.82 0.91 0.00 0.00 -0.74 0.00 0.00 36.82 37.82 1isa h ILE 115 CO 0.06 0.41 0.00 0.29 0.00 0.00 0.00 178.15 178.92 1isa n LYS 116 N -4.17 0.17 -1.73 2.37 5.02 -0.68 -4.77 118.16 114.37 1isa n LYS 116 Ca 0.02 0.22 -0.41 0.00 -2.02 0.00 0.00 58.31 56.13 1isa n LYS 116 Cb 0.36 -1.73 -0.03 0.00 -0.02 0.00 0.00 35.03 33.61 1isa n LYS 116 CO 0.00 0.00 0.00 1.21 -0.52 0.00 0.00 177.40 178.09 1isa s ASN 117 N -4.01 5.25 0.07 4.39 3.84 -0.70 -4.90 114.94 118.88 1isa s ASN 117 Ca 0.09 1.36 -0.30 0.00 0.21 0.00 0.00 52.86 54.22 1isa s ASN 117 Cb 0.13 -2.51 -0.06 0.00 -0.55 0.00 0.00 41.25 38.26 1isa s ASN 117 CO 0.50 -2.21 1.13 0.12 -2.79 0.00 0.00 177.10 173.86 1isa s PHE 118 N 9.16 3.52 0.00 0.43 5.36 -1.26 -4.78 117.98 130.40 1isa s PHE 118 Ca 0.91 1.44 0.00 0.00 -0.96 0.00 0.00 56.93 58.33 1isa s PHE 118 Cb -0.24 -3.33 0.00 0.00 -0.34 0.00 0.00 43.02 39.11 1isa s PHE 118 CO 0.31 -0.88 0.00 0.41 -1.46 0.00 0.00 175.22 173.59 1isa n GLY 119 N 2.90 -0.57 3.82 13.12 0.00 -1.26 -4.83 105.19 118.37 1isa n GLY 119 Ca 0.07 -1.27 -0.37 0.00 0.00 0.00 0.00 46.02 44.45 1isa n GLY 119 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1isa s SER 120 N -4.00 7.02 0.00 1.61 0.01 -1.26 -4.69 113.70 112.39 1isa s SER 120 Ca 0.00 1.28 0.00 0.00 1.31 0.00 0.00 55.95 58.54 1isa s SER 120 Cb 0.00 -2.37 0.00 0.00 0.21 0.00 0.00 66.02 63.86 1isa s SER 120 CO 0.00 0.15 0.00 0.61 0.41 0.00 0.00 173.24 174.41 1isa n GLY 121 N 1.17 -0.55 3.21 3.44 0.00 -1.26 -1.14 105.19 110.05 1isa n GLY 121 Ca -0.06 -0.80 -0.13 0.00 0.00 0.00 0.00 46.02 45.03 1isa n GLY 121 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1isa s TRP 122 N -3.23 -0.19 -0.04 1.61 0.52 -0.82 -1.22 118.94 115.57 1isa s TRP 122 Ca 0.00 0.36 0.05 0.00 0.02 0.00 0.00 56.10 56.53 1isa s TRP 122 Cb 0.00 0.08 -0.01 0.00 -1.15 0.00 0.00 33.47 32.39 1isa s TRP 122 CO 0.00 -0.31 -0.19 0.99 0.02 0.00 0.00 176.95 177.46 1isa s THR 123 N -0.93 1.56 0.04 2.01 2.01 -1.04 -0.54 115.64 118.75 1isa s THR 123 Ca -0.10 -0.81 0.05 0.00 0.31 0.00 0.00 61.69 61.14 1isa s THR 123 Cb -0.05 -1.32 -0.02 0.00 0.01 0.00 0.00 72.50 71.12 1isa s THR 123 CO 0.03 0.44 -0.14 0.26 -0.69 0.00 0.00 174.62 174.52 1isa s TRP 124 N -0.16 1.23 -0.22 4.92 0.52 0.60 -1.68 118.94 124.14 1isa s TRP 124 Ca 0.00 -0.35 -0.11 0.00 0.02 0.00 0.00 56.10 55.67 1isa s TRP 124 Cb -0.10 -0.73 -0.05 0.00 -1.15 0.00 0.00 33.47 31.43 1isa s TRP 124 CO 0.01 0.03 0.17 -1.17 0.02 0.00 0.00 176.95 176.01 1isa s LEU 125 N -1.10 4.15 0.22 2.99 2.96 -0.35 -1.47 118.68 126.07 1isa s LEU 125 Ca 0.02 0.17 0.08 0.00 -0.22 0.00 0.00 54.13 54.19 1isa s LEU 125 Cb -0.08 -2.13 -0.05 0.00 0.50 0.00 0.00 46.19 44.44 1isa s LEU 125 CO 0.01 0.09 -0.15 0.68 -1.32 0.00 0.00 176.35 175.66 1isa s VAL 126 N 0.87 1.83 -0.28 1.68 -7.23 0.45 -0.70 120.40 117.02 1isa s VAL 126 Ca 0.08 -2.24 -0.07 0.00 -1.81 0.00 0.00 61.98 57.94 1isa s VAL 126 Cb -0.13 -2.09 -0.00 0.00 0.56 0.00 0.00 36.38 34.72 1isa s VAL 126 CO 0.03 -0.57 0.09 -0.75 -0.31 0.00 0.00 175.10 173.59 1isa s LYS 127 N -3.63 3.27 0.97 4.82 2.20 0.03 -1.21 119.74 126.18 1isa s LYS 127 Ca 0.24 -0.74 -0.14 0.00 -0.36 0.00 0.00 55.97 54.96 1isa s LYS 127 Cb -0.01 -3.38 0.17 0.00 -1.51 0.00 0.00 37.83 33.10 1isa s LYS 127 CO 0.08 -0.37 1.17 -0.80 -0.36 0.00 0.00 175.35 175.07 1isa s ASN 128 N 1.54 3.02 0.48 1.43 0.01 -0.14 -0.57 114.94 120.71 1isa s ASN 128 Ca 0.04 0.76 0.16 0.00 -0.71 0.00 0.00 52.86 53.11 1isa s ASN 128 Cb -0.17 -1.17 1.16 0.00 0.41 0.00 0.00 41.25 41.48 1isa s ASN 128 CO 0.03 -2.84 2.07 0.77 -1.51 0.00 0.00 177.10 175.62 1isa h SER 129 N -1.70 0.17 -0.25 -1.22 4.64 -1.88 -1.49 113.55 111.81 1isa h SER 129 Ca -0.48 -0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.84 1isa h SER 129 Cb 1.31 -0.04 0.00 0.00 -0.31 0.00 0.00 62.40 63.36 1isa h SER 129 CO 0.53 0.11 0.00 -0.90 -0.87 0.00 0.00 176.83 175.70 1isa n ASP 130 N -4.48 2.69 0.00 4.97 5.75 -1.26 -4.93 116.55 119.29 1isa n ASP 130 Ca 0.03 -2.30 0.00 0.00 -0.01 0.00 0.00 54.79 52.51 1isa n ASP 130 Cb 0.25 -0.50 0.00 0.00 -1.03 0.00 0.00 41.12 39.84 1isa n ASP 130 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1isa n GLY 131 N 0.42 3.04 3.78 6.12 0.00 -0.56 -5.02 105.19 112.97 1isa n GLY 131 Ca 0.11 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.80 1isa n GLY 131 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1isa s LYS 132 N -0.14 3.21 0.08 1.61 -0.14 -1.26 -4.71 119.74 118.39 1isa s LYS 132 Ca 0.00 1.42 -0.06 0.00 -1.36 0.00 0.00 55.97 55.97 1isa s LYS 132 Cb 0.00 -2.00 -0.05 0.00 -1.68 0.00 0.00 37.83 34.09 1isa s LYS 132 CO 0.00 -0.92 0.33 -0.51 -0.76 0.00 0.00 175.35 173.49 1isa s LEU 133 N -4.27 4.33 0.07 3.17 1.43 -1.26 -0.97 118.68 121.18 1isa s LEU 133 Ca 0.68 0.60 -0.09 0.00 -1.03 0.00 0.00 54.13 54.29 1isa s LEU 133 Cb -0.20 -3.00 0.00 0.00 0.03 0.00 0.00 46.19 43.02 1isa s LEU 133 CO 0.33 0.15 0.19 0.00 0.23 0.00 0.00 176.35 177.26 1isa s ALA 134 N -1.47 -0.28 -0.17 4.21 0.00 -0.35 -4.91 121.76 118.79 1isa s ALA 134 Ca 0.34 -0.49 -0.09 0.00 0.00 0.00 0.00 51.96 51.73 1isa s ALA 134 Cb -0.13 0.41 -0.05 0.00 0.00 0.00 0.00 23.12 23.35 1isa s ALA 134 CO 0.21 -0.45 0.12 0.42 0.00 0.00 0.00 175.76 176.06 1isa s ILE 135 N -3.37 5.36 0.01 0.00 1.01 -1.26 -0.41 121.20 122.53 1isa s ILE 135 Ca 0.01 0.16 0.01 0.00 0.00 0.00 0.00 60.65 60.84 1isa s ILE 135 Cb 0.03 -3.40 -0.01 0.00 0.01 0.00 0.00 42.46 39.09 1isa s ILE 135 CO -0.08 0.51 -0.05 0.68 0.00 0.00 0.00 174.94 175.99 1isa s VAL 136 N -0.13 0.37 -0.05 2.92 -7.23 -0.54 -4.97 120.40 110.76 1isa s VAL 136 Ca 0.10 -0.45 0.01 0.00 -1.81 0.00 0.00 61.98 59.83 1isa s VAL 136 Cb -0.11 -0.37 -0.03 0.00 0.56 0.00 0.00 36.38 36.43 1isa s VAL 136 CO 0.00 -0.06 -0.06 -0.44 -0.31 0.00 0.00 175.10 174.23 1isa s SER 137 N -0.56 4.72 0.30 4.85 0.01 -1.26 -0.29 113.70 121.47 1isa s SER 137 Ca -0.02 -0.03 0.11 0.00 1.31 0.00 0.00 55.95 57.31 1isa s SER 137 Cb -0.04 -1.19 -0.05 0.00 0.21 0.00 0.00 66.02 64.95 1isa s SER 137 CO -0.00 0.35 -0.11 0.42 0.41 0.00 0.00 173.24 174.30 1isa s THR 138 N -0.87 2.63 -0.07 1.44 -4.23 0.30 -4.99 115.64 109.86 1isa s THR 138 Ca 0.14 -2.21 -0.03 0.00 -1.18 0.00 0.00 61.69 58.41 1isa s THR 138 Cb -0.11 -2.54 -0.04 0.00 1.34 0.00 0.00 72.50 71.15 1isa s THR 138 CO 0.03 -0.33 0.05 -0.55 -0.54 0.00 0.00 174.62 173.28 1isa s SER 139 N -3.59 5.58 0.94 3.99 0.15 -1.26 -1.95 113.70 117.56 1isa s SER 139 Ca 0.32 0.21 0.00 0.00 0.70 0.00 0.00 55.95 57.18 1isa s SER 139 Cb -0.03 -1.63 0.00 0.00 -1.71 0.00 0.00 66.02 62.65 1isa s SER 139 CO 0.17 0.36 0.00 0.59 1.20 0.00 0.00 173.24 175.56 1isa n ASN 140 N 1.89 0.00 -1.08 5.45 5.03 -0.29 -0.80 115.26 125.46 1isa n ASN 140 Ca -0.18 0.00 0.12 0.00 0.87 0.00 0.00 54.58 55.39 1isa n ASN 140 Cb 0.54 0.00 0.17 0.00 -1.02 0.00 0.00 39.78 39.47 1isa n ASN 140 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 1isa n ALA 141 N 8.34 2.43 -1.60 5.41 0.00 -1.26 -4.40 120.51 129.44 1isa n ALA 141 Ca 0.00 -0.89 -0.42 0.00 0.00 0.00 0.00 53.44 52.14 1isa n ALA 141 Cb 0.00 -0.84 0.01 0.00 0.00 0.00 0.00 19.45 18.61 1isa n ALA 141 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1isa n GLY 142 N 1.44 -0.31 3.02 0.00 0.00 0.02 -4.60 105.19 104.77 1isa n GLY 142 Ca 0.17 0.16 -0.11 0.00 0.00 0.00 0.00 46.02 46.24 1isa n GLY 142 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1isa s THR 143 N -1.26 0.05 -0.08 2.61 -1.32 -1.26 -4.70 115.64 109.68 1isa s THR 143 Ca 0.63 -0.40 0.20 0.00 -1.21 0.00 0.00 61.69 60.90 1isa s THR 143 Cb -0.58 -0.27 0.20 0.00 -1.51 0.00 0.00 72.50 70.34 1isa s THR 143 CO 0.57 -0.22 1.57 -0.65 -2.21 0.00 0.00 174.62 173.68 1isa h PRO 144 N 5.17 0.00 0.00 7.08 0.11 -1.95 -2.66 132.00 139.75 1isa h PRO 144 Ca -0.28 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.83 1isa h PRO 144 Cb 1.20 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.31 1isa h PRO 144 CO 0.42 0.00 0.00 -0.07 -0.21 0.00 0.00 178.00 178.14 1isa h LEU 145 N 0.00 0.00 -1.10 2.35 3.38 -1.96 0.41 115.31 118.39 1isa h LEU 145 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1isa h LEU 145 Cb 0.21 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.96 1isa h LEU 145 CO 0.00 0.00 0.00 0.35 0.09 0.00 0.00 178.44 178.88 1isa n THR 146 N -2.73 0.31 -4.11 0.22 -2.24 -1.00 -4.82 114.28 99.91 1isa n THR 146 Ca -0.02 -0.38 -0.05 0.00 -2.27 0.00 0.00 64.05 61.34 1isa n THR 146 Cb 0.09 0.26 -0.01 0.00 -2.10 0.00 0.00 70.33 68.57 1isa n THR 146 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 1isa n THR 147 N 0.34 0.00 0.77 4.28 -2.24 0.13 -5.03 114.28 112.53 1isa n THR 147 Ca 0.13 -0.42 0.08 0.00 -2.27 0.00 0.00 64.05 61.58 1isa n THR 147 Cb 0.29 0.11 0.24 0.00 -2.10 0.00 0.00 70.33 68.87 1isa n THR 147 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 1isa n ASP 148 N -1.42 2.21 -4.90 3.42 5.75 -1.26 -4.92 116.55 115.43 1isa n ASP 148 Ca -0.03 -1.92 -0.33 0.00 -0.01 0.00 0.00 54.79 52.50 1isa n ASP 148 Cb 0.11 -0.23 -0.05 0.00 -1.03 0.00 0.00 41.12 39.92 1isa n ASP 148 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1isa s ALA 149 N -1.53 3.90 -0.21 2.12 0.00 -1.26 -4.18 121.76 120.59 1isa s ALA 149 Ca 0.30 -0.67 -0.21 0.00 0.00 0.00 0.00 51.96 51.39 1isa s ALA 149 Cb 0.16 -1.98 -0.02 0.00 0.00 0.00 0.00 23.12 21.27 1isa s ALA 149 CO 0.22 0.71 0.63 0.99 0.00 0.00 0.00 175.76 178.31 1isa s THR 150 N -1.37 5.01 0.19 0.00 2.01 0.27 -4.59 115.64 117.16 1isa s THR 150 Ca 0.30 1.18 -0.31 0.00 0.31 0.00 0.00 61.69 63.17 1isa s THR 150 Cb -0.13 -3.94 -0.10 0.00 0.01 0.00 0.00 72.50 68.34 1isa s THR 150 CO 0.19 0.09 1.51 -2.84 -0.69 0.00 0.00 174.62 172.88 1isa s PRO 151 N 2.05 4.24 -0.09 4.92 0.02 -1.26 -0.79 135.00 144.09 1isa s PRO 151 Ca 0.28 2.33 0.04 0.00 0.02 0.00 0.00 61.00 63.67 1isa s PRO 151 Cb -0.16 -3.14 -0.08 0.00 0.02 0.00 0.00 34.50 31.14 1isa s PRO 151 CO 0.10 -0.53 -0.03 1.28 -0.33 0.00 0.00 177.00 177.49 1isa n LEU 152 N 3.34 1.39 -3.63 -5.54 4.77 0.13 -4.89 117.00 112.57 1isa n LEU 152 Ca 0.11 -0.03 -0.15 0.00 -0.03 0.00 0.00 56.01 55.92 1isa n LEU 152 Cb 0.39 -0.06 -0.07 0.00 -2.33 0.00 0.00 43.42 41.35 1isa n LEU 152 CO 0.61 0.41 0.32 -0.22 -1.33 0.00 0.00 177.39 177.18 1isa s LEU 153 N -5.04 -0.31 0.05 2.23 2.96 -1.13 -4.41 118.68 113.03 1isa s LEU 153 Ca -0.08 0.95 -0.00 0.00 -0.22 0.00 0.00 54.13 54.77 1isa s LEU 153 Cb 0.03 2.15 -0.04 0.00 0.50 0.00 0.00 46.19 48.83 1isa s LEU 153 CO 0.28 -0.36 -0.04 0.28 -1.32 0.00 0.00 176.35 175.19 1isa s THR 154 N -0.33 0.29 -0.06 3.68 -1.32 -1.26 -1.21 115.64 115.42 1isa s THR 154 Ca -0.05 -1.65 0.02 0.00 -1.21 0.00 0.00 61.69 58.80 1isa s THR 154 Cb -0.03 -1.30 0.01 0.00 -1.51 0.00 0.00 72.50 69.67 1isa s THR 154 CO 0.04 -0.87 -0.12 0.54 -2.21 0.00 0.00 174.62 171.99 1isa s VAL 155 N -3.37 1.15 -0.18 5.08 0.11 -0.68 -4.88 120.40 117.63 1isa s VAL 155 Ca 0.03 -0.49 -0.29 0.00 -2.93 0.00 0.00 61.98 58.30 1isa s VAL 155 Cb 0.04 -1.05 -0.01 0.00 -1.53 0.00 0.00 36.38 33.83 1isa s VAL 155 CO -0.07 0.36 1.22 -0.62 -3.33 0.00 0.00 175.10 172.65 1isa s ASP 156 N 0.64 6.97 -0.12 3.54 2.15 -1.26 -2.51 116.67 126.07 1isa s ASP 156 Ca -0.14 1.62 0.15 0.00 0.43 0.00 0.00 52.55 54.61 1isa s ASP 156 Cb -0.16 -2.54 0.44 0.00 -0.30 0.00 0.00 42.92 40.36 1isa s ASP 156 CO 0.04 -0.75 1.35 1.33 -0.17 0.00 0.00 175.17 176.97 1isa n VAL 157 N 5.38 1.90 -1.72 1.11 0.24 -0.36 -4.82 118.33 120.05 1isa n VAL 157 Ca 0.14 -1.66 -0.41 0.00 -2.04 0.00 0.00 64.34 60.37 1isa n VAL 157 Cb 0.45 -0.04 0.02 0.00 -1.47 0.00 0.00 33.84 32.79 1isa n VAL 157 CO 0.00 0.00 0.00 0.79 -2.14 0.00 0.00 176.83 175.48 1isa n TRP 158 N -0.33 2.32 0.26 6.34 7.02 -1.18 -4.39 117.44 127.48 1isa n TRP 158 Ca 0.18 0.48 0.08 0.00 -1.02 0.00 0.00 57.50 57.21 1isa n TRP 158 Cb 0.74 -2.40 0.63 0.00 -2.42 0.00 0.00 31.31 27.85 1isa n TRP 158 CO 0.00 0.00 0.00 0.93 -2.02 0.00 0.00 177.69 176.60 1isa h GLU 159 N 2.13 0.00 0.00 -0.99 5.08 -1.93 -1.39 114.58 117.48 1isa h GLU 159 Ca -0.49 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.87 1isa h GLU 159 Cb 1.29 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.54 1isa h GLU 159 CO 0.60 0.02 0.00 1.12 -1.00 0.00 0.00 179.01 179.75 1isa h HIS 160 N 0.00 0.00 0.00 4.33 2.07 -1.98 0.01 115.15 119.58 1isa h HIS 160 Ca -0.00 0.00 -0.06 0.00 -2.85 0.00 0.00 60.37 57.46 1isa h HIS 160 Cb 0.04 0.00 -0.01 0.00 2.57 0.00 0.00 27.41 30.01 1isa h HIS 160 CO 0.00 0.00 -0.29 0.00 -3.07 0.00 0.00 177.93 174.57 1isa h ALA 161 N 2.02 0.98 0.00 6.11 0.00 -1.57 -3.38 119.26 123.43 1isa h ALA 161 Ca 0.00 -0.26 0.00 0.00 0.00 0.00 0.00 54.91 54.65 1isa h ALA 161 Cb 0.08 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.82 1isa h ALA 161 CO 0.00 0.36 0.00 2.48 0.00 0.00 0.00 179.25 182.09 1isa n TYR 162 N -3.41 0.00 0.09 0.00 0.18 -0.80 -4.91 117.16 108.32 1isa n TYR 162 Ca 0.00 0.00 -0.01 0.00 1.88 0.00 0.00 57.90 59.77 1isa n TYR 162 Cb 0.48 0.00 0.26 0.00 -0.38 0.00 0.00 39.34 39.70 1isa n TYR 162 CO 0.00 0.00 0.00 -0.92 -2.08 0.00 0.00 176.86 173.86 1isa h TYR 163 N 0.00 0.31 -0.50 -3.48 3.20 -1.19 0.15 116.97 115.44 1isa h TYR 163 Ca 0.00 -0.07 -0.04 0.00 3.14 0.00 0.00 58.73 61.76 1isa h TYR 163 Cb 0.13 -0.07 -0.02 0.00 1.54 0.00 0.00 36.73 38.31 1isa h TYR 163 CO 0.00 0.57 0.14 0.82 -1.64 0.00 0.00 178.16 178.05 1isa h ILE 164 N 0.24 1.24 0.05 1.81 2.04 -1.85 -0.35 117.51 120.68 1isa h ILE 164 Ca 0.03 -0.81 -0.30 0.00 1.00 0.00 0.00 64.86 64.78 1isa h ILE 164 Cb 0.69 0.80 -0.03 0.00 -0.74 0.00 0.00 36.82 37.54 1isa h ILE 164 CO 0.05 0.30 -1.67 0.44 0.00 0.00 0.00 178.15 177.26 1isa h ASP 165 N 0.69 0.18 0.00 1.72 3.32 -1.83 -3.41 116.42 117.09 1isa h ASP 165 Ca 0.16 -0.33 0.00 0.00 0.02 0.00 0.00 57.03 56.88 1isa h ASP 165 Cb 0.30 -0.06 0.00 0.00 0.22 0.00 0.00 39.33 39.80 1isa h ASP 165 CO -0.00 1.29 0.00 -1.22 -1.72 0.00 0.00 179.24 177.58 1isa n TYR 166 N -3.25 0.00 0.00 4.55 4.01 0.00 -5.10 117.16 117.37 1isa n TYR 166 Ca -0.19 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.55 1isa n TYR 166 Cb 1.04 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 40.07 1isa n TYR 166 CO 0.00 0.00 0.00 0.54 -0.46 0.00 0.00 176.86 176.94 1isa n ARG 167 N -0.21 0.00 0.00 -0.72 5.12 -0.14 -1.37 116.66 119.34 1isa n ARG 167 Ca 0.00 0.00 0.15 0.00 -1.93 0.00 0.00 57.85 56.07 1isa n ARG 167 Cb 0.02 0.00 0.73 0.00 -1.16 0.00 0.00 32.46 32.06 1isa n ARG 167 CO 0.00 0.00 0.00 0.27 -1.93 0.00 0.00 177.63 175.97 1isa n ASN 168 N 2.84 0.11 -4.16 0.55 0.23 -1.26 -4.41 115.26 109.16 1isa n ASN 168 Ca 0.00 -0.29 -0.43 0.00 -0.53 0.00 0.00 54.58 53.33 1isa n ASN 168 Cb 0.00 -0.22 0.00 0.00 -2.08 0.00 0.00 39.78 37.49 1isa n ASN 168 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1isa n ALA 169 N -1.20 4.60 0.17 -2.53 0.00 -0.47 -4.76 120.51 116.32 1isa n ALA 169 Ca 0.15 -4.09 0.07 0.00 0.00 0.00 0.00 53.44 49.56 1isa n ALA 169 Cb 0.24 -3.27 0.56 0.00 0.00 0.00 0.00 19.45 16.99 1isa n ALA 169 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.50 177.41 1isa h ARG 170 N 6.58 0.19 -0.55 0.00 2.43 -1.85 -1.48 114.38 119.71 1isa h ARG 170 Ca 0.43 -0.01 0.07 0.00 -0.81 0.00 0.00 59.98 59.65 1isa h ARG 170 Cb 0.75 -0.04 -0.03 0.00 -0.42 0.00 0.00 29.97 30.23 1isa h ARG 170 CO 1.55 0.13 0.37 -1.35 -1.51 0.00 0.00 179.97 179.15 1isa h PRO 171 N 0.19 0.45 -0.21 0.20 0.11 -1.98 -1.67 132.00 129.10 1isa h PRO 171 Ca 0.05 -0.03 -0.17 0.00 0.11 0.00 0.00 66.00 65.96 1isa h PRO 171 Cb -0.02 -0.10 0.00 0.00 0.11 0.00 0.00 31.00 31.00 1isa h PRO 171 CO -0.01 0.30 -0.53 0.78 -0.21 0.00 0.00 178.00 178.33 1isa h GLY 172 N 0.47 0.81 0.86 -0.55 0.00 -1.67 -1.87 103.07 101.12 1isa h GLY 172 Ca 0.24 -1.00 0.02 0.00 0.00 0.00 0.00 47.33 46.59 1isa h GLY 172 CO -0.07 0.90 0.24 -1.82 0.00 0.00 0.00 176.54 175.79 1isa h TYR 173 N 0.46 0.44 -0.27 5.60 3.20 -1.28 -1.79 116.97 123.33 1isa h TYR 173 Ca -0.01 0.02 -0.09 0.00 3.14 0.00 0.00 58.73 61.79 1isa h TYR 173 Cb 1.15 -0.14 -0.01 0.00 1.54 0.00 0.00 36.73 39.27 1isa h TYR 173 CO 0.09 0.25 -0.22 -0.07 -1.64 0.00 0.00 178.16 176.57 1isa h LEU 174 N 0.48 0.49 -0.74 2.82 -0.00 -1.17 0.01 115.31 117.19 1isa h LEU 174 Ca 0.17 -0.16 -0.04 0.00 -0.00 0.00 0.00 57.88 57.86 1isa h LEU 174 Cb 0.04 -0.13 -0.03 0.00 -0.00 0.00 0.00 40.66 40.53 1isa h LEU 174 CO -0.09 0.72 0.32 -0.08 -0.00 0.00 0.00 178.44 179.31 1isa h GLU 175 N 0.44 1.09 0.00 1.13 4.81 -0.98 -2.47 114.58 118.61 1isa h GLU 175 Ca 0.07 -0.18 -0.09 0.00 -0.13 0.00 0.00 59.36 59.03 1isa h GLU 175 Cb 0.63 -0.18 -0.01 0.00 0.63 0.00 0.00 28.75 29.81 1isa h GLU 175 CO 0.04 0.87 -0.41 0.45 -0.73 0.00 0.00 179.01 179.24 1isa h HIS 176 N 1.05 0.00 -0.71 0.92 3.86 -0.77 -3.13 115.15 116.37 1isa h HIS 176 Ca 0.25 0.00 0.07 0.00 -1.16 0.00 0.00 60.37 59.53 1isa h HIS 176 Cb 0.17 0.00 -0.06 0.00 1.06 0.00 0.00 27.41 28.58 1isa h HIS 176 CO 0.01 0.41 0.39 0.35 0.86 0.00 0.00 177.93 179.95 1isa h PHE 177 N 0.00 0.70 0.00 2.45 3.57 -0.53 -2.36 116.94 120.77 1isa h PHE 177 Ca -0.00 0.03 -0.01 0.00 3.53 0.00 0.00 57.97 61.51 1isa h PHE 177 Cb 1.14 -0.21 -0.00 0.00 2.79 0.00 0.00 35.95 39.67 1isa h PHE 177 CO 0.00 0.31 -0.05 -1.49 -2.23 0.00 0.00 178.31 174.84 1isa h TRP 178 N 0.69 0.00 0.00 0.41 4.06 -1.48 0.13 115.95 119.76 1isa h TRP 178 Ca 0.33 0.00 0.00 0.00 2.06 0.00 0.00 58.89 61.28 1isa h TRP 178 Cb 0.26 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.42 1isa h TRP 178 CO -0.08 0.05 0.00 0.00 -3.56 0.00 0.00 178.44 174.85 1isa n ALA 179 N -2.30 2.16 0.67 1.49 0.00 -0.89 -3.52 120.51 118.12 1isa n ALA 179 Ca -0.02 -0.08 0.07 0.00 0.00 0.00 0.00 53.44 53.40 1isa n ALA 179 Cb 0.15 -1.42 -0.08 0.00 0.00 0.00 0.00 19.45 18.10 1isa n ALA 179 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1isa n LEU 180 N -1.56 0.70 -4.69 0.00 4.77 0.02 -3.60 117.00 112.65 1isa n LEU 180 Ca 0.06 -0.51 -0.42 0.00 -0.03 0.00 0.00 56.01 55.11 1isa n LEU 180 Cb 0.30 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.37 1isa n LEU 180 CO 0.24 0.17 1.45 -0.69 -1.33 0.00 0.00 177.39 177.23 1isa s VAL 181 N -2.33 2.69 -0.74 4.08 1.01 -1.14 -0.57 120.40 123.41 1isa s VAL 181 Ca 0.06 0.16 -0.19 0.00 0.00 0.00 0.00 61.98 62.01 1isa s VAL 181 Cb 0.11 -3.10 0.12 0.00 0.00 0.00 0.00 36.38 33.51 1isa s VAL 181 CO 0.58 -0.00 0.89 0.21 0.00 0.00 0.00 175.10 176.77 1isa s ASN 182 N 2.75 6.40 0.34 3.32 3.04 -0.11 -0.71 114.94 129.96 1isa s ASN 182 Ca 0.80 -1.72 0.27 0.00 0.04 0.00 0.00 52.86 52.24 1isa s ASN 182 Cb -0.44 -2.34 1.06 0.00 -1.54 0.00 0.00 41.25 37.99 1isa s ASN 182 CO 0.36 -1.08 1.79 -0.50 -3.04 0.00 0.00 177.10 174.62 1isa h TRP 183 N 8.95 0.00 -0.55 0.43 4.06 -1.91 -2.34 115.95 124.60 1isa h TRP 183 Ca -0.10 0.00 -0.10 0.00 2.06 0.00 0.00 58.89 60.75 1isa h TRP 183 Cb 1.06 0.00 -0.02 0.00 -1.00 0.00 0.00 29.16 29.20 1isa h TRP 183 CO 0.99 0.00 -0.06 0.93 -3.56 0.00 0.00 178.44 176.73 1isa h GLU 184 N 0.00 1.00 -0.38 0.49 5.08 -1.97 -0.85 114.58 117.95 1isa h GLU 184 Ca 0.00 -0.34 -0.08 0.00 -1.00 0.00 0.00 59.36 57.94 1isa h GLU 184 Cb 0.45 -0.08 -0.01 0.00 0.50 0.00 0.00 28.75 29.61 1isa h GLU 184 CO 0.00 1.02 -0.09 0.35 -1.00 0.00 0.00 179.01 179.29 1isa h PHE 185 N 0.90 0.82 -0.88 4.33 3.57 -1.72 -1.47 116.94 122.50 1isa h PHE 185 Ca 0.15 -0.18 0.03 0.00 3.53 0.00 0.00 57.97 61.50 1isa h PHE 185 Cb 0.61 -0.20 -0.05 0.00 2.79 0.00 0.00 35.95 39.10 1isa h PHE 185 CO 0.04 0.87 0.57 0.28 -2.23 0.00 0.00 178.31 177.85 1isa h VAL 186 N 0.53 1.16 -0.75 1.41 2.07 -1.35 -1.23 116.25 118.09 1isa h VAL 186 Ca 0.10 -0.39 -0.01 0.00 0.82 0.00 0.00 66.70 67.21 1isa h VAL 186 Cb 0.61 -0.06 -0.04 0.00 -1.52 0.00 0.00 31.29 30.28 1isa h VAL 186 CO 0.04 0.21 0.41 0.00 0.02 0.00 0.00 177.57 178.25 1isa h ALA 187 N 1.35 0.97 -0.62 1.67 0.00 -1.04 0.96 119.26 122.56 1isa h ALA 187 Ca 0.34 -0.12 -0.05 0.00 0.00 0.00 0.00 54.91 55.09 1isa h ALA 187 Cb -0.03 -0.30 -0.03 0.00 0.00 0.00 0.00 17.79 17.43 1isa h ALA 187 CO -0.11 0.48 0.21 -0.22 0.00 0.00 0.00 179.25 179.61 1isa h LYS 188 N 1.04 0.95 -0.08 0.00 3.64 -0.51 -2.91 116.57 118.69 1isa h LYS 188 Ca 0.27 -0.19 -0.12 0.00 -1.27 0.00 0.00 60.65 59.33 1isa h LYS 188 Cb 0.03 -0.14 -0.01 0.00 -0.41 0.00 0.00 32.23 31.70 1isa h LYS 188 CO -0.04 0.83 -0.50 -0.91 -2.27 0.00 0.00 179.45 176.56 1isa h ASN 189 N 0.87 0.24 -0.53 4.20 -0.26 -0.67 -3.19 115.58 116.24 1isa h ASN 189 Ca 0.20 -0.12 -0.04 0.00 -0.56 0.00 0.00 56.30 55.79 1isa h ASN 189 Cb 0.27 -0.07 -0.03 0.00 -1.06 0.00 0.00 38.32 37.43 1isa h ASN 189 CO -0.01 0.70 0.20 0.25 -1.06 0.00 0.00 177.43 177.52 1isa h LEU 190 N 0.18 0.78 -6.83 1.61 6.46 -0.63 -3.19 115.31 113.69 1isa h LEU 190 Ca 0.01 -0.11 -0.65 0.00 -0.12 0.00 0.00 57.88 57.00 1isa h LEU 190 Cb 0.95 -0.20 -0.39 0.00 -0.73 0.00 0.00 40.66 40.29 1isa h LEU 190 CO 0.08 0.72 -0.33 0.00 -0.62 0.00 0.00 178.44 178.29 1isa n ALA 191 N -2.45 3.90 -0.65 1.25 0.00 -1.17 -5.11 120.51 116.27 1isa n ALA 191 Ca 0.05 -4.66 0.00 0.00 0.00 0.00 0.00 53.44 48.83 1isa n ALA 191 Cb 0.18 -1.28 0.00 0.00 0.00 0.00 0.00 19.45 18.35 1isa n ALA 191 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50