#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1agr h ALA 12 N 0.00 2.45 0.61 0.00 0.00 -2.04 0.71 119.26 120.99 1agr h ALA 12 Ca 0.00 0.04 -0.03 0.00 0.00 0.00 0.00 54.91 54.92 1agr h ALA 12 Cb 0.00 0.05 0.01 0.00 0.00 0.00 0.00 17.79 17.84 1agr h ALA 12 CO 0.00 -0.85 -0.29 0.28 0.00 0.00 0.00 179.25 178.39 1agr h VAL 13 N 0.29 0.07 -0.26 0.00 2.07 -2.05 -2.65 116.25 113.72 1agr h VAL 13 Ca 0.59 -0.39 -0.19 0.00 0.82 0.00 0.00 66.70 67.52 1agr h VAL 13 Cb 1.70 0.10 0.00 0.00 -1.52 0.00 0.00 31.29 31.58 1agr h VAL 13 CO -0.23 0.01 -0.60 -0.33 0.02 0.00 0.00 177.57 176.44 1agr h GLU 14 N -1.19 0.86 -0.60 1.57 4.39 -1.78 -1.21 114.58 116.62 1agr h GLU 14 Ca -0.08 -0.58 -0.02 0.00 0.34 0.00 0.00 59.36 59.01 1agr h GLU 14 Cb 0.65 0.08 -0.03 0.00 -0.10 0.00 0.00 28.75 29.36 1agr h GLU 14 CO 0.14 1.21 0.30 -0.09 -1.16 0.00 0.00 179.01 179.41 1agr h ARG 15 N 0.64 0.86 -0.05 2.33 9.65 -1.05 -1.49 114.38 125.27 1agr h ARG 15 Ca -0.00 -0.12 -0.08 0.00 -1.10 0.00 0.00 59.98 58.68 1agr h ARG 15 Cb 1.21 -0.16 -0.01 0.00 -1.39 0.00 0.00 29.97 29.63 1agr h ARG 15 CO 0.13 0.69 -0.33 1.03 2.80 0.00 0.00 179.97 184.29 1agr h SER 16 N 0.82 0.08 0.52 -3.80 0.87 -1.35 -1.27 113.55 109.42 1agr h SER 16 Ca 0.21 -0.03 -0.03 0.00 -1.23 0.00 0.00 61.79 60.71 1agr h SER 16 Cb 0.10 -0.02 0.01 0.00 -0.44 0.00 0.00 62.40 62.05 1agr h SER 16 CO -0.03 0.42 -0.25 0.11 -0.53 0.00 0.00 176.83 176.55 1agr h LYS 17 N 0.08 -0.68 -0.49 2.24 1.57 -0.60 -1.64 116.57 117.05 1agr h LYS 17 Ca 0.01 0.05 0.03 0.00 -1.87 0.00 0.00 60.65 58.87 1agr h LYS 17 Cb 0.63 0.15 -0.03 0.00 0.08 0.00 0.00 32.23 33.06 1agr h LYS 17 CO 0.05 -0.38 0.33 1.98 -0.57 0.00 0.00 179.45 180.85 1agr h MET 18 N -0.89 0.54 -0.59 3.15 4.05 -1.08 0.40 114.93 120.51 1agr h MET 18 Ca -0.07 -0.03 -0.06 0.00 -0.28 0.00 0.00 59.70 59.26 1agr h MET 18 Cb 0.61 -0.12 -0.03 0.00 -0.80 0.00 0.00 31.60 31.26 1agr h MET 18 CO 0.12 0.36 0.14 0.82 0.23 0.00 0.00 176.91 178.57 1agr h ILE 19 N 0.55 1.24 -0.23 1.77 2.04 -1.19 0.11 117.51 121.80 1agr h ILE 19 Ca 0.20 -0.87 -0.08 0.00 1.00 0.00 0.00 64.86 65.11 1agr h ILE 19 Cb 0.10 0.64 -0.01 0.00 -0.74 0.00 0.00 36.82 36.81 1agr h ILE 19 CO -0.05 0.33 -0.16 -0.78 0.00 0.00 0.00 178.15 177.49 1agr h ASP 20 N 0.88 0.54 0.56 1.72 1.82 0.56 -1.91 116.42 120.59 1agr h ASP 20 Ca 0.19 -0.44 -0.03 0.00 -0.39 0.00 0.00 57.03 56.36 1agr h ASP 20 Cb 0.32 -0.15 0.01 0.00 0.68 0.00 0.00 39.33 40.19 1agr h ASP 20 CO 0.00 0.86 -0.27 -0.09 -1.61 0.00 0.00 179.24 178.13 1agr h ARG 21 N 0.23 -0.73 -0.38 0.28 2.43 -0.13 -2.88 114.38 113.19 1agr h ARG 21 Ca 0.05 0.05 0.05 0.00 -0.81 0.00 0.00 59.98 59.32 1agr h ARG 21 Cb 0.68 0.17 -0.05 0.00 -0.42 0.00 0.00 29.97 30.35 1agr h ARG 21 CO 0.04 -0.47 0.11 -0.91 -1.51 0.00 0.00 179.97 177.23 1agr h ASN 22 N -1.18 0.09 0.00 -3.80 -0.26 -0.93 0.21 115.58 109.70 1agr h ASN 22 Ca -0.08 0.05 0.00 0.00 -0.56 0.00 0.00 56.30 55.71 1agr h ASN 22 Cb 0.60 0.05 0.00 0.00 -1.06 0.00 0.00 38.32 37.91 1agr h ASN 22 CO 0.13 0.09 0.14 0.25 -1.06 0.00 0.00 177.43 176.97 1agr h LEU 23 N 0.25 0.00 0.04 1.61 5.85 -1.40 0.18 115.31 121.84 1agr h LEU 23 Ca 0.18 0.00 -0.38 0.00 0.84 0.00 0.00 57.88 58.52 1agr h LEU 23 Cb 0.18 0.00 -0.05 0.00 0.37 0.00 0.00 40.66 41.16 1agr h LEU 23 CO -0.21 0.00 -2.31 -1.14 -0.34 0.00 0.00 178.44 174.44 1agr n ARG 24 N -2.52 0.68 -0.36 1.25 0.63 0.54 -3.73 116.66 113.14 1agr n ARG 24 Ca -0.02 0.20 0.04 0.00 -0.92 0.00 0.00 57.85 57.15 1agr n ARG 24 Cb 0.18 -1.58 0.19 0.00 0.45 0.00 0.00 32.46 31.70 1agr n ARG 24 CO 0.00 0.00 0.00 0.93 -2.51 0.00 0.00 177.63 176.05 1agr h GLU 25 N -0.06 1.04 0.65 -0.14 5.08 -0.02 -1.20 114.58 119.93 1agr h GLU 25 Ca -0.54 -0.06 -0.02 0.00 -1.00 0.00 0.00 59.36 57.74 1agr h GLU 25 Cb 1.91 -0.23 -0.01 0.00 0.50 0.00 0.00 28.75 30.91 1agr h GLU 25 CO -0.06 0.69 -0.50 -0.44 -1.00 0.00 0.00 179.01 177.69 1agr h ASP 26 N 1.07 -1.33 -0.33 1.42 3.32 -0.86 -1.61 116.42 118.10 1agr h ASP 26 Ca 0.44 0.09 0.10 0.00 0.02 0.00 0.00 57.03 57.68 1agr h ASP 26 Cb 0.28 0.41 -0.01 0.00 0.22 0.00 0.00 39.33 40.23 1agr h ASP 26 CO -0.21 -0.72 0.24 1.23 -1.72 0.00 0.00 179.24 178.07 1agr h GLY 27 N -1.12 0.00 1.25 2.75 0.00 -1.59 0.23 103.07 104.61 1agr h GLY 27 Ca -0.08 0.00 -0.12 0.00 0.00 0.00 0.00 47.33 47.12 1agr h GLY 27 CO 0.02 0.00 -0.24 -2.09 0.00 0.00 0.00 176.54 174.23 1agr h GLU 28 N 0.00 0.85 -0.03 4.80 4.81 -0.77 -0.29 114.58 123.94 1agr h GLU 28 Ca 0.16 -0.36 -0.02 0.00 -0.13 0.00 0.00 59.36 59.01 1agr h GLU 28 Cb 0.63 -0.03 -0.00 0.00 0.63 0.00 0.00 28.75 29.98 1agr h GLU 28 CO -0.00 1.00 -0.06 0.87 -0.73 0.00 0.00 179.01 180.09 1agr h LYS 29 N 0.74 0.10 -0.90 1.92 1.57 -0.19 -3.33 116.57 116.48 1agr h LYS 29 Ca 0.10 -0.06 0.14 0.00 -1.87 0.00 0.00 60.65 58.96 1agr h LYS 29 Cb 0.78 0.01 -0.09 0.00 0.08 0.00 0.00 32.23 33.00 1agr h LYS 29 CO 0.06 0.62 0.50 0.00 -0.57 0.00 0.00 179.45 180.06 1agr h ALA 30 N 0.48 1.37 0.00 3.86 0.00 -0.46 -0.06 119.26 124.45 1agr h ALA 30 Ca 0.00 0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.98 1agr h ALA 30 Cb 0.61 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.34 1agr h ALA 30 CO 0.01 -0.02 0.00 0.00 0.00 0.00 0.00 179.25 179.25 1agr n ALA 31 N -2.39 2.38 0.58 0.00 0.00 -0.13 -2.66 120.51 118.28 1agr n ALA 31 Ca 0.18 -0.11 0.11 0.00 0.00 0.00 0.00 53.44 53.62 1agr n ALA 31 Cb 0.43 -1.28 0.15 0.00 0.00 0.00 0.00 19.45 18.75 1agr n ALA 31 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1agr n ARG 32 N -0.85 2.25 -3.74 0.00 1.74 -0.03 -4.75 116.66 111.28 1agr n ARG 32 Ca 0.13 -2.03 -0.37 0.00 -0.77 0.00 0.00 57.85 54.82 1agr n ARG 32 Cb 0.06 -1.45 -0.12 0.00 -1.02 0.00 0.00 32.46 29.92 1agr n ARG 32 CO 0.00 0.00 0.00 -1.21 -1.52 0.00 0.00 177.63 174.90 1agr s GLU 33 N -1.61 3.71 -0.19 5.56 0.41 -1.09 -0.18 118.70 125.30 1agr s GLU 33 Ca 0.31 -0.45 0.00 0.00 -0.41 0.00 0.00 54.97 54.42 1agr s GLU 33 Cb 0.20 -3.37 0.05 0.00 -1.78 0.00 0.00 34.13 29.23 1agr s GLU 33 CO 0.29 -0.17 -0.06 0.08 -0.49 0.00 0.00 175.26 174.90 1agr s VAL 34 N 1.60 1.36 -0.43 2.63 1.01 0.05 -4.94 120.40 121.67 1agr s VAL 34 Ca 0.06 -0.90 -0.20 0.00 0.00 0.00 0.00 61.98 60.95 1agr s VAL 34 Cb -0.15 -1.54 0.02 0.00 0.00 0.00 0.00 36.38 34.71 1agr s VAL 34 CO 0.05 0.07 0.60 -0.75 0.00 0.00 0.00 175.10 175.06 1agr s LYS 35 N 1.51 3.28 -0.16 2.72 2.20 -1.26 -0.73 119.74 127.30 1agr s LYS 35 Ca -0.02 -0.42 -0.02 0.00 -0.36 0.00 0.00 55.97 55.16 1agr s LYS 35 Cb -0.17 -3.94 -0.02 0.00 -1.51 0.00 0.00 37.83 32.20 1agr s LYS 35 CO -0.07 -0.95 -0.09 -1.17 -0.36 0.00 0.00 175.35 172.70 1agr s LEU 36 N 2.67 2.89 -0.26 5.43 2.96 0.16 -0.77 118.68 131.76 1agr s LEU 36 Ca 0.21 -0.29 -0.09 0.00 -0.22 0.00 0.00 54.13 53.73 1agr s LEU 36 Cb -0.15 -1.68 -0.04 0.00 0.50 0.00 0.00 46.19 44.82 1agr s LEU 36 CO 0.18 0.12 0.12 -0.76 -1.32 0.00 0.00 176.35 174.68 1agr s LEU 37 N 0.63 3.69 -0.32 -0.68 1.43 -0.50 -0.51 118.68 122.42 1agr s LEU 37 Ca -0.05 -0.11 -0.23 0.00 -1.03 0.00 0.00 54.13 52.70 1agr s LEU 37 Cb -0.15 -2.00 0.00 0.00 0.03 0.00 0.00 46.19 44.07 1agr s LEU 37 CO 0.03 -0.03 0.79 -0.76 0.23 0.00 0.00 176.35 176.61 1agr s LEU 38 N 1.60 4.09 0.00 1.79 1.43 -0.78 -1.60 118.68 125.20 1agr s LEU 38 Ca 0.06 0.58 0.00 0.00 -1.03 0.00 0.00 54.13 53.75 1agr s LEU 38 Cb -0.15 -3.07 0.00 0.00 0.03 0.00 0.00 46.19 43.00 1agr s LEU 38 CO 0.06 -0.66 0.00 0.18 0.23 0.00 0.00 176.35 176.17 1agr n LEU 39 N 6.29 0.00 0.00 1.79 4.77 -0.54 -3.80 117.00 125.51 1agr n LEU 39 Ca 0.04 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.02 1agr n LEU 39 Cb 0.48 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.57 1agr n LEU 39 CO 0.51 -0.00 0.00 0.61 -1.33 0.00 0.00 177.39 177.18 1agr n GLY 40 N 5.00 2.45 2.98 -0.72 0.00 -1.26 -3.01 105.19 110.62 1agr n GLY 40 Ca 0.00 -1.68 -0.24 0.00 0.00 0.00 0.00 46.02 44.10 1agr n GLY 40 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1agr n ALA 41 N 1.41 -1.72 -1.91 4.61 0.00 -1.26 -4.37 120.51 117.27 1agr n ALA 41 Ca 0.00 -0.94 -0.34 0.00 0.00 0.00 0.00 53.44 52.16 1agr n ALA 41 Cb 0.00 -0.70 -0.07 0.00 0.00 0.00 0.00 19.45 18.68 1agr n ALA 41 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 1agr s GLY 42 N -1.31 2.46 -0.48 0.00 0.00 -1.22 -3.50 107.32 103.28 1agr s GLY 42 Ca 0.29 0.32 0.00 0.00 0.00 0.00 0.00 44.72 45.34 1agr s GLY 42 CO 0.42 0.62 0.00 1.18 0.00 0.00 0.00 173.10 175.32 1agr n GLU 43 N -0.27 -0.79 0.05 2.90 1.02 -1.26 -4.92 120.64 117.37 1agr n GLU 43 Ca 0.05 0.52 -0.11 0.00 -0.02 0.00 0.00 57.16 57.59 1agr n GLU 43 Cb 0.53 -4.30 -0.00 0.00 -0.02 0.00 0.00 31.44 27.64 1agr n GLU 43 CO 0.00 0.00 0.00 0.66 1.18 0.00 0.00 177.13 178.97 1agr h SER 44 N 0.00 0.51 0.00 1.62 4.64 -1.89 -3.47 113.55 114.96 1agr h SER 44 Ca -0.09 -0.37 0.00 0.00 -0.47 0.00 0.00 61.79 60.86 1agr h SER 44 Cb 0.53 -0.15 0.00 0.00 -0.31 0.00 0.00 62.40 62.47 1agr h SER 44 CO 0.14 1.13 0.00 0.61 -0.87 0.00 0.00 176.83 177.84 1agr n GLY 45 N 0.72 0.37 0.32 -0.77 0.00 -1.26 -4.29 105.19 100.28 1agr n GLY 45 Ca -0.05 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.11 1agr n GLY 45 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1agr h LYS 46 N 0.00 0.09 0.00 1.61 1.57 -1.92 0.72 116.57 118.64 1agr h LYS 46 Ca 0.00 -0.01 -0.10 0.00 -1.87 0.00 0.00 60.65 58.67 1agr h LYS 46 Cb 0.00 -0.02 -0.01 0.00 0.08 0.00 0.00 32.23 32.28 1agr h LYS 46 CO 0.00 0.06 -0.49 0.77 -0.57 0.00 0.00 179.45 179.22 1agr h SER 47 N 0.09 0.00 -0.09 0.86 0.02 -1.96 -2.67 113.55 109.80 1agr h SER 47 Ca 0.58 0.00 -0.06 0.00 -0.84 0.00 0.00 61.79 61.47 1agr h SER 47 Cb 1.20 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.74 1agr h SER 47 CO -0.79 0.49 -0.16 0.74 -1.14 0.00 0.00 176.83 175.97 1agr h THR 48 N 0.00 1.40 -0.31 -2.27 2.02 0.03 -0.89 112.91 112.89 1agr h THR 48 Ca -0.00 -1.45 0.06 0.00 0.77 0.00 0.00 66.41 65.78 1agr h THR 48 Cb 1.11 2.15 -0.08 0.00 -1.74 0.00 0.00 68.15 69.58 1agr h THR 48 CO 0.06 0.41 -0.45 0.40 0.37 0.00 0.00 175.52 176.32 1agr h ILE 49 N -0.20 0.10 -0.86 3.11 1.08 -1.19 -0.46 117.51 119.10 1agr h ILE 49 Ca 0.00 0.00 0.19 0.00 -0.39 0.00 0.00 64.86 64.67 1agr h ILE 49 Cb 0.74 0.10 -0.12 0.00 -3.07 0.00 0.00 36.82 34.48 1agr h ILE 49 CO 0.04 0.00 0.36 0.58 -0.69 0.00 0.00 178.15 178.44 1agr h VAL 50 N -0.40 0.53 -0.89 1.67 2.07 -1.35 0.50 116.25 118.39 1agr h VAL 50 Ca 0.11 -0.14 0.02 0.00 0.82 0.00 0.00 66.70 67.50 1agr h VAL 50 Cb 0.60 0.08 -0.05 0.00 -1.52 0.00 0.00 31.29 30.40 1agr h VAL 50 CO -0.52 0.08 0.58 0.11 0.02 0.00 0.00 177.57 177.84 1agr h LYS 51 N 0.42 1.13 -0.16 1.57 1.57 -0.17 -1.78 116.57 119.15 1agr h LYS 51 Ca 0.51 -0.07 0.01 0.00 -1.87 0.00 0.00 60.65 59.24 1agr h LYS 51 Cb 0.91 -0.25 -0.02 0.00 0.08 0.00 0.00 32.23 32.95 1agr h LYS 51 CO -0.49 0.75 0.06 1.96 -0.57 0.00 0.00 179.45 181.15 1agr h GLN 52 N 1.16 0.13 -0.66 3.15 1.08 0.15 0.87 115.11 120.99 1agr h GLN 52 Ca 0.34 -0.01 0.12 0.00 -1.45 0.00 0.00 58.65 57.65 1agr h GLN 52 Cb -0.08 -0.03 -0.04 0.00 -0.05 0.00 0.00 27.48 27.28 1agr h GLN 52 CO -0.09 0.09 0.44 0.52 -0.95 0.00 0.00 178.83 178.84 1agr h MET 53 N 0.14 0.40 -0.09 1.46 2.86 -0.71 0.82 114.93 119.81 1agr h MET 53 Ca 0.07 -0.02 -0.14 0.00 -2.06 0.00 0.00 59.70 57.54 1agr h MET 53 Cb 0.04 -0.09 -0.01 0.00 0.06 0.00 0.00 31.60 31.60 1agr h MET 53 CO -0.07 0.26 -0.56 -0.22 1.06 0.00 0.00 176.91 177.38 1agr h LYS 54 N 0.41 0.28 0.02 1.72 3.11 -0.26 -1.50 116.57 120.35 1agr h LYS 54 Ca 0.31 -0.18 -0.03 0.00 -2.81 0.00 0.00 60.65 57.94 1agr h LYS 54 Cb 0.66 0.02 0.00 0.00 -1.00 0.00 0.00 32.23 31.92 1agr h LYS 54 CO -0.09 0.77 -0.15 0.82 -2.81 0.00 0.00 179.45 177.99 1agr h ILE 55 N 0.21 1.68 0.30 2.00 2.04 0.27 -0.88 117.51 123.13 1agr h ILE 55 Ca 0.00 -2.20 -0.01 0.00 1.00 0.00 0.00 64.86 63.65 1agr h ILE 55 Cb 1.05 3.16 0.00 0.00 -0.74 0.00 0.00 36.82 40.29 1agr h ILE 55 CO 0.09 0.58 -0.14 0.40 0.00 0.00 0.00 178.15 179.08 1agr h ILE 56 N -0.79 0.14 0.06 -0.67 2.04 -0.20 -3.12 117.51 114.98 1agr h ILE 56 Ca -0.02 -0.77 -0.19 0.00 1.00 0.00 0.00 64.86 64.88 1agr h ILE 56 Cb 1.04 0.25 -0.01 0.00 -0.74 0.00 0.00 36.82 37.35 1agr h ILE 56 CO 0.03 0.04 -1.00 0.45 0.00 0.00 0.00 178.15 177.67 1agr h HIS 57 N -1.08 0.25 0.00 1.37 3.86 -1.47 -3.44 115.15 114.65 1agr h HIS 57 Ca -0.04 -0.18 0.00 0.00 -1.16 0.00 0.00 60.37 58.99 1agr h HIS 57 Cb 0.37 -0.01 0.00 0.00 1.06 0.00 0.00 27.41 28.83 1agr h HIS 57 CO 0.02 1.39 0.00 0.39 0.86 0.00 0.00 177.93 180.59 1agr n GLU 58 N -4.22 0.00 0.00 2.45 -0.58 -1.08 -4.96 120.64 112.25 1agr n GLU 58 Ca -0.22 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.52 1agr n GLU 58 Cb 0.75 -0.67 0.00 0.00 -0.57 0.00 0.00 31.44 30.95 1agr n GLU 58 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1agr n ALA 59 N -0.53 0.00 0.00 0.62 0.00 -0.80 -5.03 120.51 114.76 1agr n ALA 59 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1agr n ALA 59 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 1agr n ALA 59 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1agr n GLY 60 N 0.00 -1.80 3.36 0.00 0.00 -0.40 -4.87 105.19 101.47 1agr n GLY 60 Ca 0.00 -1.87 -0.36 0.00 0.00 0.00 0.00 46.02 43.78 1agr n GLY 60 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1agr s TYR 61 N 0.00 3.09 0.83 1.61 2.02 -1.26 -4.78 117.35 118.86 1agr s TYR 61 Ca 0.00 -0.85 -0.11 0.00 -0.37 0.00 0.00 57.07 55.74 1agr s TYR 61 Cb 0.00 -2.21 0.09 0.00 -0.40 0.00 0.00 41.96 39.45 1agr s TYR 61 CO 0.00 -0.52 1.12 -1.54 -1.57 0.00 0.00 175.55 173.04 1agr s SER 62 N 1.52 3.78 0.36 2.29 1.04 -1.26 -4.81 113.70 116.62 1agr s SER 62 Ca 0.04 2.02 0.06 0.00 0.48 0.00 0.00 55.95 58.55 1agr s SER 62 Cb -0.16 -2.55 0.74 0.00 0.10 0.00 0.00 66.02 64.16 1agr s SER 62 CO 0.01 -2.53 1.96 -0.08 0.98 0.00 0.00 173.24 173.58 1agr h GLU 63 N -1.39 0.73 -0.47 4.02 4.81 -1.98 -0.54 114.58 119.75 1agr h GLU 63 Ca -0.44 -0.04 -0.10 0.00 -0.13 0.00 0.00 59.36 58.65 1agr h GLU 63 Cb 1.25 -0.16 -0.02 0.00 0.63 0.00 0.00 28.75 30.45 1agr h GLU 63 CO 0.47 0.48 -0.12 1.49 -0.73 0.00 0.00 179.01 180.60 1agr h GLU 64 N 0.75 0.87 -0.44 1.92 4.57 -1.99 -2.47 114.58 117.78 1agr h GLU 64 Ca 0.31 -0.30 -0.05 0.00 -1.18 0.00 0.00 59.36 58.14 1agr h GLU 64 Cb 0.27 -0.06 -0.02 0.00 -0.16 0.00 0.00 28.75 28.77 1agr h GLU 64 CO -0.10 0.94 0.06 0.93 -1.18 0.00 0.00 179.01 179.66 1agr h GLU 65 N 0.78 0.68 -0.14 1.92 5.08 -1.47 -2.61 114.58 118.82 1agr h GLU 65 Ca 0.13 -0.14 -0.13 0.00 -1.00 0.00 0.00 59.36 58.22 1agr h GLU 65 Cb 0.63 -0.10 -0.01 0.00 0.50 0.00 0.00 28.75 29.77 1agr h GLU 65 CO 0.04 0.66 -0.46 0.00 -1.00 0.00 0.00 179.01 178.26 1agr h LYS 67 N 0.28 0.78 0.00 0.00 1.57 -1.06 -1.15 116.57 117.00 1agr h LYS 67 Ca 0.02 -0.07 0.00 0.00 -1.87 0.00 0.00 60.65 58.73 1agr h LYS 67 Cb 0.92 -0.17 0.00 0.00 0.08 0.00 0.00 32.23 33.06 1agr h LYS 67 CO 0.08 0.56 0.00 1.04 -0.57 0.00 0.00 179.45 180.56 1agr n GLN 68 N -4.64 0.00 -0.00 3.15 6.02 -1.15 -1.08 117.38 119.68 1agr n GLN 68 Ca 0.04 0.36 0.09 0.00 -0.01 0.00 0.00 57.00 57.47 1agr n GLN 68 Cb 0.05 -1.50 -0.12 0.00 1.02 0.00 0.00 30.24 29.69 1agr n GLN 68 CO 0.00 0.00 0.00 0.66 -1.01 0.00 0.00 177.06 176.71 1agr n TYR 69 N -1.36 0.00 -0.28 1.08 4.01 -0.44 -4.45 117.16 115.72 1agr n TYR 69 Ca 0.00 0.00 0.08 0.00 -0.16 0.00 0.00 57.90 57.82 1agr n TYR 69 Cb 0.00 -0.14 0.23 0.00 -0.31 0.00 0.00 39.34 39.12 1agr n TYR 69 CO 0.00 0.00 0.00 -0.22 -0.46 0.00 0.00 176.86 176.18 1agr h LYS 70 N 0.00 0.46 -0.67 -0.72 3.64 -1.04 0.44 116.57 118.68 1agr h LYS 70 Ca 0.00 -0.03 0.04 0.00 -1.27 0.00 0.00 60.65 59.39 1agr h LYS 70 Cb 0.57 -0.10 -0.05 0.00 -0.41 0.00 0.00 32.23 32.24 1agr h LYS 70 CO 0.00 0.31 0.40 0.00 -2.27 0.00 0.00 179.45 177.89 1agr h ALA 71 N 1.60 0.88 -0.08 5.00 0.00 -1.78 -2.13 119.26 122.75 1agr h ALA 71 Ca 0.47 -0.01 -0.14 0.00 0.00 0.00 0.00 54.91 55.23 1agr h ALA 71 Cb 0.75 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.34 1agr h ALA 71 CO -0.43 0.13 -0.58 0.28 0.00 0.00 0.00 179.25 178.65 1agr h VAL 72 N 0.77 1.38 0.70 0.00 2.07 -0.59 -0.62 116.25 119.96 1agr h VAL 72 Ca 0.28 -1.93 -0.03 0.00 0.82 0.00 0.00 66.70 65.83 1agr h VAL 72 Cb 0.08 1.96 0.01 0.00 -1.52 0.00 0.00 31.29 31.82 1agr h VAL 72 CO -0.13 0.57 -0.34 0.58 0.02 0.00 0.00 177.57 178.27 1agr h VAL 73 N 0.18 0.29 0.04 2.57 2.07 -0.00 0.46 116.25 121.87 1agr h VAL 73 Ca -0.00 -0.06 0.02 0.00 0.82 0.00 0.00 66.70 67.48 1agr h VAL 73 Cb 1.08 0.31 -0.03 0.00 -1.52 0.00 0.00 31.29 31.13 1agr h VAL 73 CO 0.09 0.01 -0.16 1.88 0.02 0.00 0.00 177.57 179.40 1agr h TYR 74 N -0.98 -0.43 -0.56 1.57 0.05 -1.37 0.62 116.97 115.87 1agr h TYR 74 Ca -0.10 0.01 0.11 0.00 0.05 0.00 0.00 58.73 58.81 1agr h TYR 74 Cb 0.73 0.19 -0.10 0.00 1.01 0.00 0.00 36.73 38.56 1agr h TYR 74 CO -0.02 -0.24 -0.05 1.03 -1.05 0.00 0.00 178.16 177.83 1agr h SER 75 N -0.29 -0.35 -0.52 3.88 0.87 -1.12 0.10 113.55 116.12 1agr h SER 75 Ca 0.04 0.15 0.00 0.00 -1.23 0.00 0.00 61.79 60.75 1agr h SER 75 Cb 0.34 0.28 -0.03 0.00 -0.44 0.00 0.00 62.40 62.55 1agr h SER 75 CO -0.13 -0.13 0.33 0.78 -0.53 0.00 0.00 176.83 177.15 1agr h ASN 76 N 0.07 0.62 0.49 6.23 -0.26 -0.00 -0.48 115.58 122.25 1agr h ASN 76 Ca 0.28 -0.04 -0.02 0.00 -0.56 0.00 0.00 56.30 55.96 1agr h ASN 76 Cb 0.44 -0.16 0.00 0.00 -1.06 0.00 0.00 38.32 37.55 1agr h ASN 76 CO -0.51 0.47 -0.23 0.74 -1.06 0.00 0.00 177.43 176.84 1agr h THR 77 N 0.71 0.44 -0.08 2.81 2.02 -0.50 -2.48 112.91 115.82 1agr h THR 77 Ca 0.19 -0.37 0.04 0.00 0.77 0.00 0.00 66.41 67.04 1agr h THR 77 Cb -0.04 0.58 -0.05 0.00 -1.74 0.00 0.00 68.15 66.90 1agr h THR 77 CO -0.04 0.06 -0.23 0.40 0.37 0.00 0.00 175.52 176.07 1agr h ILE 78 N -0.90 0.44 -0.51 3.11 2.04 -0.70 -0.48 117.51 120.51 1agr h ILE 78 Ca -0.07 0.00 0.08 0.00 1.00 0.00 0.00 64.86 65.87 1agr h ILE 78 Cb 0.59 0.44 -0.03 0.00 -0.74 0.00 0.00 36.82 37.09 1agr h ILE 78 CO 0.11 0.00 0.34 1.56 0.00 0.00 0.00 178.15 180.16 1agr h GLN 79 N -0.32 0.36 -0.05 2.37 1.08 -1.14 -1.89 115.11 115.52 1agr h GLN 79 Ca 0.09 -0.02 -0.01 0.00 -1.45 0.00 0.00 58.65 57.25 1agr h GLN 79 Cb 0.45 -0.08 -0.00 0.00 -0.05 0.00 0.00 27.48 27.79 1agr h GLN 79 CO -0.27 0.24 -0.02 0.77 -0.95 0.00 0.00 178.83 178.60 1agr h SER 80 N 0.37 0.10 -0.24 1.46 0.02 -0.63 0.20 113.55 114.83 1agr h SER 80 Ca 0.23 -0.42 -0.01 0.00 -0.84 0.00 0.00 61.79 60.74 1agr h SER 80 Cb 0.41 -0.03 -0.01 0.00 0.14 0.00 0.00 62.40 62.92 1agr h SER 80 CO -0.06 0.50 0.09 -0.29 -1.14 0.00 0.00 176.83 175.94 1agr h ILE 81 N -0.30 1.17 -0.86 3.27 6.09 -1.02 -1.71 117.51 124.14 1agr h ILE 81 Ca 0.01 -0.51 0.12 0.00 -1.37 0.00 0.00 64.86 63.11 1agr h ILE 81 Cb 0.46 1.07 -0.08 0.00 0.47 0.00 0.00 36.82 38.73 1agr h ILE 81 CO 0.01 0.17 0.48 0.40 -3.07 0.00 0.00 178.15 176.14 1agr h ILE 82 N 0.23 0.83 -0.63 2.19 2.04 -1.28 0.05 117.51 120.94 1agr h ILE 82 Ca 0.08 -0.25 0.00 0.00 1.00 0.00 0.00 64.86 65.69 1agr h ILE 82 Cb 0.18 0.02 -0.03 0.00 -0.74 0.00 0.00 36.82 36.24 1agr h ILE 82 CO -0.01 0.14 0.40 0.00 0.00 0.00 0.00 178.15 178.68 1agr h ALA 83 N 1.52 0.80 -0.24 1.87 0.00 0.01 -0.42 119.26 122.79 1agr h ALA 83 Ca 0.44 -0.06 -0.04 0.00 0.00 0.00 0.00 54.91 55.26 1agr h ALA 83 Cb 0.52 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 18.05 1agr h ALA 83 CO -0.30 0.25 0.00 0.82 0.00 0.00 0.00 179.25 180.01 1agr h ILE 84 N 0.85 1.25 0.47 0.00 2.04 -0.29 -2.46 117.51 119.37 1agr h ILE 84 Ca 0.23 -0.89 -0.02 0.00 1.00 0.00 0.00 64.86 65.18 1agr h ILE 84 Cb -0.07 1.36 0.00 0.00 -0.74 0.00 0.00 36.82 37.37 1agr h ILE 84 CO -0.05 0.28 -0.24 0.40 0.00 0.00 0.00 178.15 178.54 1agr h ILE 85 N 0.20 0.50 -0.98 -0.67 2.04 -0.78 -1.14 117.51 116.68 1agr h ILE 85 Ca 0.07 0.00 0.27 0.00 1.00 0.00 0.00 64.86 66.19 1agr h ILE 85 Cb 0.41 0.50 -0.06 0.00 -0.74 0.00 0.00 36.82 36.93 1agr h ILE 85 CO 0.01 0.00 0.68 0.03 0.00 0.00 0.00 178.15 178.87 1agr h ARG 86 N -0.65 0.17 0.00 2.37 3.08 -1.11 0.34 114.38 118.57 1agr h ARG 86 Ca -0.06 -0.01 -0.10 0.00 0.07 0.00 0.00 59.98 59.88 1agr h ARG 86 Cb 0.51 -0.04 -0.01 0.00 0.08 0.00 0.00 29.97 30.51 1agr h ARG 86 CO 0.09 0.11 -0.48 0.00 -1.07 0.00 0.00 179.97 178.63 1agr h ALA 87 N 1.55 1.19 -0.53 0.04 0.00 -0.72 -3.27 119.26 117.53 1agr h ALA 87 Ca 0.50 -0.43 0.09 0.00 0.00 0.00 0.00 54.91 55.07 1agr h ALA 87 Cb 1.66 -0.08 -0.07 0.00 0.00 0.00 0.00 17.79 19.30 1agr h ALA 87 CO -0.11 0.59 0.11 0.52 0.00 0.00 0.00 179.25 180.37 1agr h MET 88 N 0.00 0.24 0.36 0.00 2.86 -0.41 -2.00 114.93 115.98 1agr h MET 88 Ca -0.00 -0.01 -0.00 0.00 -2.06 0.00 0.00 59.70 57.62 1agr h MET 88 Cb 0.85 -0.05 -0.02 0.00 0.06 0.00 0.00 31.60 32.43 1agr h MET 88 CO 0.06 0.16 -0.39 0.78 1.06 0.00 0.00 176.91 178.58 1agr h GLY 89 N 0.24 -0.90 2.00 8.32 0.00 -1.70 0.94 103.07 111.98 1agr h GLY 89 Ca 0.27 0.45 -0.01 0.00 0.00 0.00 0.00 47.33 48.04 1agr h GLY 89 CO -0.35 -0.31 -0.03 3.21 0.00 0.00 0.00 176.54 179.06 1agr h ARG 90 N -0.78 0.00 0.00 4.80 3.08 -1.66 -1.91 114.38 117.90 1agr h ARG 90 Ca -0.03 0.00 -0.11 0.00 0.07 0.00 0.00 59.98 59.91 1agr h ARG 90 Cb 0.71 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.74 1agr h ARG 90 CO -0.08 0.03 -1.28 1.28 -1.07 0.00 0.00 179.97 178.85 1agr n LEU 91 N -3.33 0.85 -1.20 3.04 4.77 -0.77 -5.00 117.00 115.35 1agr n LEU 91 Ca -0.02 0.36 -0.01 0.00 -0.03 0.00 0.00 56.01 56.30 1agr n LEU 91 Cb 0.16 0.03 0.01 0.00 -2.33 0.00 0.00 43.42 41.29 1agr n LEU 91 CO 0.25 0.03 0.01 0.29 -1.33 0.00 0.00 177.39 176.64 1agr n LYS 92 N -2.81 -0.57 -3.99 3.23 5.02 0.27 -5.05 118.16 114.26 1agr n LYS 92 Ca -0.06 0.07 -0.31 0.00 -2.02 0.00 0.00 58.31 55.99 1agr n LYS 92 Cb 0.74 -2.79 -0.15 0.00 -0.02 0.00 0.00 35.03 32.81 1agr n LYS 92 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 1agr s ILE 93 N -3.03 2.08 0.65 -0.18 1.01 -0.84 -5.06 121.20 115.83 1agr s ILE 93 Ca 0.00 -2.15 -0.14 0.00 0.00 0.00 0.00 60.65 58.37 1agr s ILE 93 Cb -0.00 -2.51 -0.01 0.00 0.01 0.00 0.00 42.46 39.96 1agr s ILE 93 CO 0.06 -0.55 1.07 -1.81 0.00 0.00 0.00 174.94 173.72 1agr s ASP 94 N 1.02 5.37 0.87 3.58 1.01 -1.26 -4.71 116.67 122.55 1agr s ASP 94 Ca 0.09 1.82 -0.11 0.00 0.71 0.00 0.00 52.55 55.06 1agr s ASP 94 Cb -0.19 -2.53 0.12 0.00 1.01 0.00 0.00 42.92 41.33 1agr s ASP 94 CO -0.10 -1.45 1.16 -0.36 0.21 0.00 0.00 175.17 174.63 1agr s PHE 95 N -2.61 1.74 0.09 4.23 0.08 -1.26 -4.48 117.98 115.77 1agr s PHE 95 Ca 0.63 1.75 -0.18 0.00 0.12 0.00 0.00 56.93 59.24 1agr s PHE 95 Cb -0.17 -3.36 -0.07 0.00 -0.57 0.00 0.00 43.02 38.85 1agr s PHE 95 CO 0.44 -2.75 1.58 0.78 -0.10 0.00 0.00 175.22 175.17 1agr h GLY 96 N -1.53 0.46 -5.69 4.36 0.00 -1.88 -3.42 103.07 95.37 1agr h GLY 96 Ca -0.44 -0.30 -0.66 0.00 0.00 0.00 0.00 47.33 45.93 1agr h GLY 96 CO 0.44 0.28 -0.78 -0.35 0.00 0.00 0.00 176.54 176.12 1agr s ASP 97 N -5.83 3.87 0.45 0.19 -1.08 -1.26 -4.94 116.67 108.07 1agr s ASP 97 Ca -0.14 -0.38 0.31 0.00 -0.52 0.00 0.00 52.55 51.82 1agr s ASP 97 Cb 0.08 -1.59 1.36 0.00 -1.46 0.00 0.00 42.92 41.31 1agr s ASP 97 CO 0.74 0.14 1.92 0.00 0.52 0.00 0.00 175.17 178.49 1agr h ALA 98 N 6.86 1.00 0.00 3.66 0.00 -1.99 -2.03 119.26 126.76 1agr h ALA 98 Ca -0.27 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.64 1agr h ALA 98 Cb 1.21 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.00 1agr h ALA 98 CO 0.55 0.00 0.09 0.00 0.00 0.00 0.00 179.25 179.89 1agr h ALA 99 N 2.09 1.06 0.00 0.00 0.00 -1.97 -1.34 119.26 119.10 1agr h ALA 99 Ca 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 54.91 54.77 1agr h ALA 99 Cb 0.36 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.13 1agr h ALA 99 CO 0.00 -0.06 -0.66 0.00 0.00 0.00 0.00 179.25 178.53 1agr h ARG 100 N 0.00 0.00 -0.89 0.00 2.47 -1.79 -3.29 114.38 110.88 1agr h ARG 100 Ca 0.00 0.00 0.13 0.00 -1.26 0.00 0.00 59.98 58.85 1agr h ARG 100 Cb 0.18 0.00 -0.07 0.00 -1.65 0.00 0.00 29.97 28.43 1agr h ARG 100 CO 0.00 0.66 0.57 0.00 0.56 0.00 0.00 179.97 181.76 1agr h ALA 101 N 1.34 1.77 0.28 0.04 0.00 -1.45 0.72 119.26 121.96 1agr h ALA 101 Ca -0.01 0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 1agr h ALA 101 Cb 1.38 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 19.02 1agr h ALA 101 CO 0.09 0.01 -0.13 -0.44 0.00 0.00 0.00 179.25 178.77 1agr h ASP 102 N 0.75 -0.32 -0.89 0.00 3.32 -1.75 -2.36 116.42 115.18 1agr h ASP 102 Ca 0.44 0.01 0.19 0.00 0.02 0.00 0.00 57.03 57.69 1agr h ASP 102 Cb 0.63 0.08 -0.17 0.00 0.22 0.00 0.00 39.33 40.09 1agr h ASP 102 CO -0.20 -0.23 -0.15 0.44 -1.72 0.00 0.00 179.24 177.38 1agr h ASP 103 N -0.38 -0.70 -0.24 6.45 3.32 -1.43 0.25 116.42 123.69 1agr h ASP 103 Ca -0.04 0.26 0.05 0.00 0.02 0.00 0.00 57.03 57.32 1agr h ASP 103 Cb 0.29 0.51 -0.05 0.00 0.22 0.00 0.00 39.33 40.30 1agr h ASP 103 CO 0.06 -0.29 -0.09 0.00 -1.72 0.00 0.00 179.24 177.20 1agr h ALA 104 N 1.88 0.12 -0.13 3.45 0.00 0.48 0.29 119.26 125.34 1agr h ALA 104 Ca 0.45 0.09 -0.13 0.00 0.00 0.00 0.00 54.91 55.33 1agr h ALA 104 Cb 0.76 0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.77 1agr h ALA 104 CO -0.88 -0.50 -0.47 0.07 0.00 0.00 0.00 179.25 177.46 1agr h ARG 105 N -0.05 0.34 0.00 0.00 0.11 -0.08 -1.65 114.38 113.05 1agr h ARG 105 Ca 0.12 -0.18 -0.01 0.00 0.10 0.00 0.00 59.98 60.01 1agr h ARG 105 Cb 0.23 0.01 -0.00 0.00 1.11 0.00 0.00 29.97 31.32 1agr h ARG 105 CO -0.27 0.74 -0.06 0.37 0.10 0.00 0.00 179.97 180.84 1agr h GLN 106 N 0.27 0.00 0.21 0.08 5.75 0.12 -2.89 115.11 118.64 1agr h GLN 106 Ca 0.02 0.00 -0.01 0.00 -0.15 0.00 0.00 58.65 58.51 1agr h GLN 106 Cb 0.93 0.00 0.00 0.00 1.07 0.00 0.00 27.48 29.49 1agr h GLN 106 CO 0.08 0.06 -0.10 1.25 -2.65 0.00 0.00 178.83 177.47 1agr h LEU 107 N 0.00 -0.23 -0.27 -2.39 5.85 0.52 -2.42 115.31 116.38 1agr h LEU 107 Ca -0.00 -0.24 0.01 0.00 0.84 0.00 0.00 57.88 58.49 1agr h LEU 107 Cb 0.27 0.06 -0.02 0.00 0.37 0.00 0.00 40.66 41.34 1agr h LEU 107 CO 0.01 0.14 0.16 -0.26 -0.34 0.00 0.00 178.44 178.15 1agr h PHE 108 N -0.64 0.30 -0.42 1.25 0.04 -1.42 0.55 116.94 116.61 1agr h PHE 108 Ca -0.03 0.01 0.06 0.00 2.80 0.00 0.00 57.97 60.82 1agr h PHE 108 Cb 0.46 -0.10 -0.06 0.00 2.20 0.00 0.00 35.95 38.45 1agr h PHE 108 CO 0.03 0.18 0.09 0.28 -0.60 0.00 0.00 178.31 178.29 1agr h VAL 109 N 0.33 0.79 -0.17 -0.55 2.07 -1.60 -2.08 116.25 115.05 1agr h VAL 109 Ca 0.10 -0.08 -0.12 0.00 0.82 0.00 0.00 66.70 67.43 1agr h VAL 109 Cb -0.01 0.55 -0.01 0.00 -1.52 0.00 0.00 31.29 30.29 1agr h VAL 109 CO -0.04 0.04 -0.41 -0.07 0.02 0.00 0.00 177.57 177.11 1agr h LEU 110 N 0.22 0.41 0.70 2.57 3.38 -0.87 -3.27 115.31 118.44 1agr h LEU 110 Ca 0.20 -0.18 -0.03 0.00 0.09 0.00 0.00 57.88 57.96 1agr h LEU 110 Cb 0.24 -0.11 0.01 0.00 0.09 0.00 0.00 40.66 40.89 1agr h LEU 110 CO -0.26 0.78 -0.34 0.00 0.09 0.00 0.00 178.44 178.71 1agr h ALA 111 N 1.24 -0.94 0.00 1.53 0.00 0.74 -2.79 119.26 119.05 1agr h ALA 111 Ca 0.03 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 54.72 1agr h ALA 111 Cb 0.87 0.36 0.00 0.00 0.00 0.00 0.00 17.79 19.02 1agr h ALA 111 CO 0.07 -0.93 0.00 0.41 0.00 0.00 0.00 179.25 178.80 1agr n GLY 112 N -0.93 0.64 0.01 0.00 0.00 -0.86 -2.48 105.19 101.57 1agr n GLY 112 Ca -0.13 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 45.89 1agr n GLY 112 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1agr n ALA 113 N 0.05 1.98 -1.77 4.61 0.00 -1.07 -5.07 120.51 119.25 1agr n ALA 113 Ca 0.00 -0.22 -0.34 0.00 0.00 0.00 0.00 53.44 52.87 1agr n ALA 113 Cb 0.13 0.06 -0.01 0.00 0.00 0.00 0.00 19.45 19.62 1agr n ALA 113 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1agr s ALA 114 N -2.17 2.77 0.64 0.00 0.00 -1.04 -5.05 121.76 116.92 1agr s ALA 114 Ca -0.02 0.70 -0.09 0.00 0.00 0.00 0.00 51.96 52.56 1agr s ALA 114 Cb 0.02 -3.30 0.01 0.00 0.00 0.00 0.00 23.12 19.84 1agr s ALA 114 CO 0.18 -0.57 0.99 -1.21 0.00 0.00 0.00 175.76 175.15 1agr s GLU 115 N -3.31 2.92 0.05 0.00 2.02 -1.26 -5.03 118.70 114.09 1agr s GLU 115 Ca 0.70 0.23 -0.31 0.00 0.02 0.00 0.00 54.97 55.61 1agr s GLU 115 Cb -0.20 -2.15 -0.06 0.00 0.10 0.00 0.00 34.13 31.81 1agr s GLU 115 CO 0.24 -0.84 1.29 -1.21 0.02 0.00 0.00 175.26 174.76 1agr s GLU 116 N -5.16 4.37 0.00 1.61 2.02 -1.26 -3.73 118.70 116.54 1agr s GLU 116 Ca 0.56 1.88 0.00 0.00 0.02 0.00 0.00 54.97 57.43 1agr s GLU 116 Cb -0.11 -3.38 0.00 0.00 0.10 0.00 0.00 34.13 30.74 1agr s GLU 116 CO 0.48 -0.38 0.00 0.41 0.02 0.00 0.00 175.26 175.79 1agr n GLY 117 N 3.39 1.76 3.58 -1.39 0.00 -1.26 -4.97 105.19 106.30 1agr n GLY 117 Ca 0.11 -0.12 -0.28 0.00 0.00 0.00 0.00 46.02 45.72 1agr n GLY 117 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1agr s PHE 118 N -1.74 2.70 -0.05 1.61 5.36 -1.24 -4.69 117.98 119.92 1agr s PHE 118 Ca 0.00 -0.19 0.00 0.00 -0.96 0.00 0.00 56.93 55.78 1agr s PHE 118 Cb 0.00 -1.37 0.03 0.00 -0.34 0.00 0.00 43.02 41.34 1agr s PHE 118 CO 0.00 0.46 -0.02 1.41 -1.46 0.00 0.00 175.22 175.62 1agr s MET 119 N -2.51 0.60 0.44 10.12 -2.45 -1.26 -4.64 119.30 119.61 1agr s MET 119 Ca 0.23 0.02 -0.21 0.00 -1.25 0.00 0.00 55.69 54.48 1agr s MET 119 Cb -0.10 -0.78 -0.10 0.00 1.25 0.00 0.00 34.83 35.11 1agr s MET 119 CO 0.14 -0.17 1.00 0.95 1.05 0.00 0.00 175.02 177.99 1agr s THR 120 N 1.30 4.06 0.46 10.11 -4.23 -1.26 -4.86 115.64 121.21 1agr s THR 120 Ca -0.05 1.34 0.32 0.00 -1.18 0.00 0.00 61.69 62.11 1agr s THR 120 Cb -0.13 -3.57 0.34 0.00 1.34 0.00 0.00 72.50 70.47 1agr s THR 120 CO -0.02 -0.22 2.15 0.00 -0.54 0.00 0.00 174.62 175.99 1agr h ALA 121 N 1.92 1.24 0.13 3.99 0.00 -1.99 -1.38 119.26 123.18 1agr h ALA 121 Ca -0.49 -0.06 -0.01 0.00 0.00 0.00 0.00 54.91 54.35 1agr h ALA 121 Cb 1.20 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.98 1agr h ALA 121 CO 0.61 0.08 -0.06 1.49 0.00 0.00 0.00 179.25 181.36 1agr h GLU 122 N 0.00 -0.17 -0.66 0.00 4.81 -1.99 -1.65 114.58 114.91 1agr h GLU 122 Ca -0.00 0.01 0.08 0.00 -0.13 0.00 0.00 59.36 59.32 1agr h GLU 122 Cb 0.23 0.04 -0.06 0.00 0.63 0.00 0.00 28.75 29.59 1agr h GLU 122 CO 0.01 0.29 0.33 1.25 -0.73 0.00 0.00 179.01 180.15 1agr h LEU 123 N -0.79 0.43 0.23 1.64 5.85 -1.88 -1.94 115.31 118.86 1agr h LEU 123 Ca -0.02 0.05 0.01 0.00 0.84 0.00 0.00 57.88 58.76 1agr h LEU 123 Cb 0.54 -0.02 -0.04 0.00 0.37 0.00 0.00 40.66 41.51 1agr h LEU 123 CO 0.03 0.26 -0.41 0.00 -0.34 0.00 0.00 178.44 177.98 1agr h ALA 124 N 1.39 -0.79 -0.69 1.25 0.00 -1.27 -0.48 119.26 118.66 1agr h ALA 124 Ca 0.32 -0.10 0.12 0.00 0.00 0.00 0.00 54.91 55.25 1agr h ALA 124 Cb 0.30 0.65 -0.04 0.00 0.00 0.00 0.00 17.79 18.70 1agr h ALA 124 CO -0.24 -1.00 0.46 0.78 0.00 0.00 0.00 179.25 179.25 1agr h GLY 125 N -0.72 0.68 0.86 0.00 0.00 -0.74 0.43 103.07 103.59 1agr h GLY 125 Ca -0.00 -0.19 -0.07 0.00 0.00 0.00 0.00 47.33 47.07 1agr h GLY 125 CO -0.17 0.09 -0.12 -2.08 0.00 0.00 0.00 176.54 174.26 1agr h VAL 126 N 0.44 1.30 0.36 4.60 2.07 -0.71 -1.28 116.25 123.03 1agr h VAL 126 Ca 0.33 -1.19 -0.02 0.00 0.82 0.00 0.00 66.70 66.64 1agr h VAL 126 Cb 0.68 1.53 0.00 0.00 -1.52 0.00 0.00 31.29 31.99 1agr h VAL 126 CO -0.10 0.37 -0.18 0.40 0.02 0.00 0.00 177.57 178.08 1agr h ILE 127 N 0.26 0.64 -0.24 4.57 2.04 0.91 0.64 117.51 126.32 1agr h ILE 127 Ca 0.06 0.00 0.06 0.00 1.00 0.00 0.00 64.86 65.98 1agr h ILE 127 Cb 0.62 0.64 -0.07 0.00 -0.74 0.00 0.00 36.82 37.26 1agr h ILE 127 CO 0.04 0.00 -0.33 0.11 0.00 0.00 0.00 178.15 177.97 1agr h LYS 128 N -0.49 -0.33 -0.87 2.37 1.57 -0.22 0.35 116.57 118.95 1agr h LYS 128 Ca -0.05 0.02 -0.03 0.00 -1.87 0.00 0.00 60.65 58.73 1agr h LYS 128 Cb 0.38 0.07 -0.04 0.00 0.08 0.00 0.00 32.23 32.72 1agr h LYS 128 CO 0.08 -0.22 0.44 0.00 -0.57 0.00 0.00 179.45 179.18 1agr h ARG 129 N -0.34 1.25 -0.21 3.15 3.08 -1.16 0.12 114.38 120.26 1agr h ARG 129 Ca 0.12 -0.17 -0.05 0.00 0.07 0.00 0.00 59.98 59.96 1agr h ARG 129 Cb 0.55 -0.23 -0.01 0.00 0.08 0.00 0.00 29.97 30.36 1agr h ARG 129 CO -0.43 0.94 -0.05 -0.07 -1.07 0.00 0.00 179.97 179.29 1agr h LEU 130 N 1.24 0.41 -0.67 3.04 3.38 0.20 -3.03 115.31 119.88 1agr h LEU 130 Ca 0.30 -0.36 -0.02 0.00 0.09 0.00 0.00 57.88 57.89 1agr h LEU 130 Cb 0.09 -0.11 -0.03 0.00 0.09 0.00 0.00 40.66 40.69 1agr h LEU 130 CO -0.04 0.68 0.33 -0.25 0.09 0.00 0.00 178.44 179.25 1agr h TRP 131 N 0.14 0.95 0.00 1.13 -0.00 0.05 -1.79 115.95 116.43 1agr h TRP 131 Ca 0.05 -0.04 0.00 0.00 -0.00 0.00 0.00 58.89 58.90 1agr h TRP 131 Cb 0.50 -0.30 0.00 0.00 -0.00 0.00 0.00 29.16 29.36 1agr h TRP 131 CO 0.05 0.70 0.00 1.63 -0.00 0.00 0.00 178.44 180.82 1agr n LYS 132 N -4.48 0.28 -2.52 2.65 4.76 -0.00 -4.38 118.16 114.47 1agr n LYS 132 Ca 0.05 0.11 -0.41 0.00 -2.87 0.00 0.00 58.31 55.19 1agr n LYS 132 Cb 0.12 -1.50 -0.04 0.00 -1.84 0.00 0.00 35.03 31.77 1agr n LYS 132 CO 0.00 0.00 0.00 0.34 -1.37 0.00 0.00 177.40 176.37 1agr s ASP 133 N -2.44 7.24 0.30 4.39 2.15 -0.67 -4.91 116.67 122.73 1agr s ASP 133 Ca 0.17 2.02 0.04 0.00 0.43 0.00 0.00 52.55 55.20 1agr s ASP 133 Cb 0.10 -2.59 0.79 0.00 -0.30 0.00 0.00 42.92 40.92 1agr s ASP 133 CO 0.22 -0.28 1.61 -1.28 -0.17 0.00 0.00 175.17 175.28 1agr h SER 134 N 5.69 -0.13 0.01 -0.34 0.87 -1.88 -1.22 113.55 116.55 1agr h SER 134 Ca -0.43 0.23 -0.00 0.00 -1.23 0.00 0.00 61.79 60.36 1agr h SER 134 Cb 1.21 0.34 0.00 0.00 -0.44 0.00 0.00 62.40 63.51 1agr h SER 134 CO 0.75 -0.26 -0.00 1.23 -0.53 0.00 0.00 176.83 178.02 1agr h GLY 135 N 0.12 -0.01 -0.52 5.77 0.00 -1.84 -1.90 103.07 104.70 1agr h GLY 135 Ca 0.60 0.00 0.10 0.00 0.00 0.00 0.00 47.33 48.03 1agr h GLY 135 CO -0.76 -0.00 -0.40 -2.08 0.00 0.00 0.00 176.54 173.30 1agr h VAL 136 N -0.93 0.11 -0.73 4.60 2.07 -1.77 0.06 116.25 119.65 1agr h VAL 136 Ca -0.00 0.00 0.16 0.00 0.82 0.00 0.00 66.70 67.68 1agr h VAL 136 Cb 0.86 0.11 -0.11 0.00 -1.52 0.00 0.00 31.29 30.63 1agr h VAL 136 CO 0.00 0.00 0.18 1.56 0.02 0.00 0.00 177.57 179.33 1agr h GLN 137 N -0.18 0.27 -0.79 1.57 1.08 -1.29 0.47 115.11 116.24 1agr h GLN 137 Ca 0.21 -0.02 0.06 0.00 -1.45 0.00 0.00 58.65 57.46 1agr h GLN 137 Cb 0.56 -0.06 -0.05 0.00 -0.05 0.00 0.00 27.48 27.88 1agr h GLN 137 CO -0.72 0.18 0.52 0.00 -0.95 0.00 0.00 178.83 177.86 1agr h ALA 138 N 1.60 1.62 0.04 3.87 0.00 -0.20 0.14 119.26 126.32 1agr h ALA 138 Ca 0.41 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 55.30 1agr h ALA 138 Cb 0.70 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 18.26 1agr h ALA 138 CO -0.50 0.27 -0.02 0.00 0.00 0.00 0.00 179.25 178.99 1agr h PHE 140 N -0.57 -0.13 0.00 0.00 3.57 0.27 0.75 116.94 120.85 1agr h PHE 140 Ca -0.01 0.06 0.00 0.00 3.53 0.00 0.00 57.97 61.55 1agr h PHE 140 Cb 0.51 0.17 0.00 0.00 2.79 0.00 0.00 35.95 39.42 1agr h PHE 140 CO 0.10 -0.25 0.00 0.09 -2.23 0.00 0.00 178.31 176.01 1agr n ASN 141 N -5.37 0.00 -0.13 0.41 3.02 0.42 -1.30 115.26 112.30 1agr n ASN 141 Ca 0.12 -0.40 0.07 0.00 -0.03 0.00 0.00 54.58 54.35 1agr n ASN 141 Cb 0.44 -0.01 0.11 0.00 -0.61 0.00 0.00 39.78 39.72 1agr n ASN 141 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 1agr n ARG 142 N -1.01 1.88 0.00 3.52 1.74 0.26 -4.79 116.66 118.25 1agr n ARG 142 Ca 0.10 -2.32 0.00 0.00 -0.77 0.00 0.00 57.85 54.86 1agr n ARG 142 Cb 0.05 -1.40 0.00 0.00 -1.02 0.00 0.00 32.46 30.09 1agr n ARG 142 CO 0.00 0.00 0.00 -1.13 -1.52 0.00 0.00 177.63 174.98 1agr n SER 143 N -1.08 0.00 0.14 0.55 3.41 -0.42 -0.87 113.62 115.35 1agr n SER 143 Ca 0.12 0.33 0.13 0.00 -0.26 0.00 0.00 58.87 59.19 1agr n SER 143 Cb 0.56 -0.33 0.48 0.00 -0.26 0.00 0.00 64.21 64.66 1agr n SER 143 CO 0.00 0.00 0.00 0.08 -0.16 0.00 0.00 175.04 174.96 1agr h ARG 144 N 0.00 0.00 0.22 4.33 0.11 -1.87 -2.67 114.38 114.51 1agr h ARG 144 Ca 0.00 0.00 -0.34 0.00 0.10 0.00 0.00 59.98 59.74 1agr h ARG 144 Cb 0.31 0.00 0.03 0.00 1.11 0.00 0.00 29.97 31.41 1agr h ARG 144 CO 0.00 0.00 -1.57 0.93 0.10 0.00 0.00 179.97 179.43 1agr h GLU 145 N 0.00 0.47 0.00 0.08 5.08 -1.34 -3.43 114.58 115.45 1agr h GLU 145 Ca 0.00 -0.81 0.00 0.00 -1.00 0.00 0.00 59.36 57.55 1agr h GLU 145 Cb 0.49 0.30 0.00 0.00 0.50 0.00 0.00 28.75 30.04 1agr h GLU 145 CO 0.00 1.39 0.00 2.48 -1.00 0.00 0.00 179.01 181.88 1agr n TYR 146 N -3.69 0.00 -3.36 4.33 4.11 -1.00 -5.06 117.16 112.48 1agr n TYR 146 Ca -0.20 0.00 -0.12 0.00 -0.00 0.00 0.00 57.90 57.57 1agr n TYR 146 Cb 1.08 0.00 -0.08 0.00 -0.00 0.00 0.00 39.34 40.34 1agr n TYR 146 CO 0.00 0.00 0.00 -0.65 -0.00 0.00 0.00 176.86 176.21 1agr s GLN 147 N 2.77 0.34 0.12 -3.48 -1.52 -1.25 -4.91 119.66 111.73 1agr s GLN 147 Ca 0.00 0.19 0.09 0.00 -1.95 0.00 0.00 55.36 53.69 1agr s GLN 147 Cb 0.00 -0.55 -0.04 0.00 -0.22 0.00 0.00 33.01 32.20 1agr s GLN 147 CO 0.00 -0.87 -0.22 -1.17 -0.25 0.00 0.00 175.29 172.78 1agr s LEU 148 N 2.47 2.32 0.10 2.90 2.96 -1.26 -4.97 118.68 123.19 1agr s LEU 148 Ca 0.10 -0.72 -0.31 0.00 -0.22 0.00 0.00 54.13 52.99 1agr s LEU 148 Cb -0.14 -0.96 -0.07 0.00 0.50 0.00 0.00 46.19 45.52 1agr s LEU 148 CO -0.25 0.08 1.25 0.20 -1.32 0.00 0.00 176.35 176.32 1agr s ASN 149 N -2.03 7.01 0.33 3.68 0.01 -1.26 -4.91 114.94 117.77 1agr s ASN 149 Ca 0.09 2.14 0.13 0.00 -0.71 0.00 0.00 52.86 54.51 1agr s ASN 149 Cb -0.10 -2.59 1.02 0.00 0.41 0.00 0.00 41.25 40.00 1agr s ASN 149 CO 0.05 -0.51 1.67 0.44 -1.51 0.00 0.00 177.10 177.24 1agr h ASP 150 N 6.56 0.50 -0.19 -1.22 3.32 -1.99 0.42 116.42 123.81 1agr h ASP 150 Ca -0.42 0.18 0.00 0.00 0.02 0.00 0.00 57.03 56.81 1agr h ASP 150 Cb 1.21 0.13 0.00 0.00 0.22 0.00 0.00 39.33 40.90 1agr h ASP 150 CO 0.82 -0.10 0.00 -1.20 -1.72 0.00 0.00 179.24 177.04 1agr n SER 151 N -5.04 2.36 0.06 6.45 7.64 -1.26 -4.40 113.62 119.42 1agr n SER 151 Ca 0.30 -2.26 -0.03 0.00 1.01 0.00 0.00 58.87 57.89 1agr n SER 151 Cb 0.92 -0.51 -0.02 0.00 -1.01 0.00 0.00 64.21 63.59 1agr n SER 151 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1agr h ALA 152 N 2.75 -0.85 -0.63 -0.43 0.00 -0.53 -1.37 119.26 118.21 1agr h ALA 152 Ca 0.00 -0.04 0.08 0.00 0.00 0.00 0.00 54.91 54.95 1agr h ALA 152 Cb 0.89 0.31 -0.04 0.00 0.00 0.00 0.00 17.79 18.95 1agr h ALA 152 CO 0.14 -0.85 0.42 0.00 0.00 0.00 0.00 179.25 178.95 1agr h ALA 153 N -1.63 1.89 -0.44 0.00 0.00 -1.82 -0.13 119.26 117.12 1agr h ALA 153 Ca -0.01 -0.01 0.06 0.00 0.00 0.00 0.00 54.91 54.94 1agr h ALA 153 Cb 0.16 -0.13 -0.05 0.00 0.00 0.00 0.00 17.79 17.77 1agr h ALA 153 CO -0.01 -0.01 0.15 -0.92 0.00 0.00 0.00 179.25 178.47 1agr h TYR 154 N 0.53 0.26 0.20 0.00 5.03 -1.74 0.35 116.97 121.60 1agr h TYR 154 Ca 0.28 0.02 -0.32 0.00 2.58 0.00 0.00 58.73 61.29 1agr h TYR 154 Cb 0.40 -0.05 0.02 0.00 1.55 0.00 0.00 36.73 38.65 1agr h TYR 154 CO -0.00 0.09 -1.46 1.88 -1.32 0.00 0.00 178.16 177.34 1agr h TYR 155 N 0.31 0.75 -0.24 -3.82 0.05 -0.24 -3.22 116.97 110.57 1agr h TYR 155 Ca 0.21 -0.55 -0.02 0.00 0.05 0.00 0.00 58.73 58.42 1agr h TYR 155 Cb 0.21 -0.03 -0.01 0.00 1.01 0.00 0.00 36.73 37.91 1agr h TYR 155 CO -0.16 1.48 0.07 -0.07 -1.05 0.00 0.00 178.16 178.43 1agr h LEU 156 N 0.11 0.34 -1.49 3.88 3.38 -0.84 -0.10 115.31 120.60 1agr h LEU 156 Ca -0.23 -0.21 0.00 0.00 0.09 0.00 0.00 57.88 57.53 1agr h LEU 156 Cb 2.09 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 42.75 1agr h LEU 156 CO 0.23 0.46 0.00 0.78 0.09 0.00 0.00 178.44 180.00 1agr h ASN 157 N 0.21 0.00 -0.40 -0.43 2.35 -1.08 -1.32 115.58 114.91 1agr h ASN 157 Ca 0.08 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.83 1agr h ASN 157 Cb 0.24 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.61 1agr h ASN 157 CO -0.00 0.00 0.00 0.47 -1.65 0.00 0.00 177.43 176.25 1agr n ASP 158 N -2.78 3.85 -0.23 5.81 9.92 -0.88 -4.74 116.55 127.51 1agr n ASP 158 Ca 0.00 -2.53 0.01 0.00 -0.53 0.00 0.00 54.79 51.74 1agr n ASP 158 Cb 0.22 -0.45 0.13 0.00 -0.64 0.00 0.00 41.12 40.38 1agr n ASP 158 CO 0.00 0.00 0.00 0.25 0.13 0.00 0.00 177.20 177.58 1agr h LEU 159 N 2.51 0.37 0.03 0.64 5.85 0.18 -1.85 115.31 123.04 1agr h LEU 159 Ca 0.00 0.07 0.03 0.00 0.84 0.00 0.00 57.88 58.82 1agr h LEU 159 Cb 1.23 0.01 -0.05 0.00 0.37 0.00 0.00 40.66 42.22 1agr h LEU 159 CO 0.16 0.21 -0.35 -0.78 -0.34 0.00 0.00 178.44 177.34 1agr h ASP 160 N 0.52 -1.05 -0.45 1.25 3.58 -1.85 0.19 116.42 118.60 1agr h ASP 160 Ca 0.33 0.13 0.09 0.00 0.42 0.00 0.00 57.03 58.01 1agr h ASP 160 Cb 0.38 0.42 -0.09 0.00 1.72 0.00 0.00 39.33 41.75 1agr h ASP 160 CO -0.28 -0.42 -0.16 -0.09 -2.88 0.00 0.00 179.24 175.41 1agr h ARG 161 N -0.52 -0.06 0.00 0.28 2.43 -1.79 -2.26 114.38 112.46 1agr h ARG 161 Ca 0.05 0.00 -0.03 0.00 -0.81 0.00 0.00 59.98 59.19 1agr h ARG 161 Cb 0.60 0.01 -0.00 0.00 -0.42 0.00 0.00 29.97 30.16 1agr h ARG 161 CO -0.27 -0.04 -0.15 -0.84 -1.51 0.00 0.00 179.97 177.17 1agr h ILE 162 N -0.06 0.29 0.00 1.20 3.07 -0.98 -3.28 117.51 117.75 1agr h ILE 162 Ca 0.22 -1.18 0.00 0.00 1.55 0.00 0.00 64.86 65.45 1agr h ILE 162 Cb 0.39 1.94 0.00 0.00 -0.27 0.00 0.00 36.82 38.89 1agr h ILE 162 CO -0.50 0.14 0.00 0.00 -1.05 0.00 0.00 178.15 176.75 1agr h ALA 163 N 1.85 1.00 -2.42 0.16 0.00 0.01 -3.47 119.26 116.39 1agr h ALA 163 Ca -0.00 0.00 -0.51 0.00 0.00 0.00 0.00 54.91 54.39 1agr h ALA 163 Cb 0.93 0.00 0.12 0.00 0.00 0.00 0.00 17.79 18.85 1agr h ALA 163 CO 0.02 0.00 0.35 -0.65 0.00 0.00 0.00 179.25 178.97 1agr s GLN 164 N -3.24 2.42 0.21 0.00 1.11 -1.23 -4.73 119.66 114.21 1agr s GLN 164 Ca 0.07 1.36 0.01 0.00 0.01 0.00 0.00 55.36 56.82 1agr s GLN 164 Cb 0.10 -1.90 0.18 0.00 -1.01 0.00 0.00 33.01 30.38 1agr s GLN 164 CO 0.53 -1.54 1.53 -1.35 0.01 0.00 0.00 175.29 174.47 1agr h PRO 165 N -0.53 0.35 -1.20 2.91 0.11 -1.89 -3.20 132.00 128.55 1agr h PRO 165 Ca -0.45 -0.24 -0.40 0.00 0.11 0.00 0.00 66.00 65.01 1agr h PRO 165 Cb 1.25 0.04 -0.20 0.00 0.11 0.00 0.00 31.00 32.20 1agr h PRO 165 CO 0.52 0.85 0.52 0.09 -0.21 0.00 0.00 178.00 179.77 1agr n ASN 166 N -3.89 5.50 -4.76 -2.05 3.02 -1.26 -4.92 115.26 106.89 1agr n ASN 166 Ca -0.03 -3.21 -0.37 0.00 -0.03 0.00 0.00 54.58 50.94 1agr n ASN 166 Cb 0.63 -0.90 -0.07 0.00 -0.61 0.00 0.00 39.78 38.82 1agr n ASN 166 CO 0.00 0.00 0.00 -0.47 -2.62 0.00 0.00 177.26 174.17 1agr s TYR 167 N -2.38 3.52 -0.09 3.10 5.04 -1.21 -5.07 117.35 120.25 1agr s TYR 167 Ca 0.41 0.64 -0.02 0.00 -2.44 0.00 0.00 57.07 55.66 1agr s TYR 167 Cb 0.33 -2.28 0.03 0.00 0.35 0.00 0.00 41.96 40.39 1agr s TYR 167 CO 0.03 0.37 0.02 0.42 -1.34 0.00 0.00 175.55 175.04 1agr s ILE 168 N 0.03 0.30 0.18 3.14 1.01 -1.26 -5.02 121.20 119.58 1agr s ILE 168 Ca 0.17 0.05 -0.31 0.00 0.00 0.00 0.00 60.65 60.56 1agr s ILE 168 Cb -0.13 -0.55 -0.16 0.00 0.01 0.00 0.00 42.46 41.62 1agr s ILE 168 CO 0.05 0.15 0.94 -2.65 0.00 0.00 0.00 174.94 173.43 1agr n PRO 169 N 5.16 0.72 -2.06 2.79 -0.02 -1.26 -4.97 135.00 135.36 1agr n PRO 169 Ca -0.07 0.25 -0.28 0.00 -2.02 0.00 0.00 63.50 61.39 1agr n PRO 169 Cb 0.50 -1.59 0.11 0.00 -0.02 0.00 0.00 33.50 32.49 1agr n PRO 169 CO 0.00 0.00 0.00 0.95 1.98 0.00 0.00 175.50 178.43 1agr s THR 170 N -0.56 2.10 0.38 3.45 -4.23 -1.26 -4.74 115.64 110.78 1agr s THR 170 Ca 0.70 -0.13 0.09 0.00 -1.18 0.00 0.00 61.69 61.16 1agr s THR 170 Cb -0.90 -2.97 0.16 0.00 1.34 0.00 0.00 72.50 70.14 1agr s THR 170 CO 0.55 0.00 1.92 1.56 -0.54 0.00 0.00 174.62 178.11 1agr h GLN 171 N -1.00 0.29 -0.33 3.99 4.20 -1.95 -1.18 115.11 119.13 1agr h GLN 171 Ca -0.44 -0.06 -0.16 0.00 0.06 0.00 0.00 58.65 58.05 1agr h GLN 171 Cb 1.30 -0.04 -0.01 0.00 0.30 0.00 0.00 27.48 29.03 1agr h GLN 171 CO 0.56 0.40 -0.41 0.37 -0.67 0.00 0.00 178.83 179.07 1agr h GLN 172 N 0.28 0.82 0.54 1.46 5.75 -1.93 -0.73 115.11 121.29 1agr h GLN 172 Ca 0.06 -0.44 -0.02 0.00 -0.15 0.00 0.00 58.65 58.10 1agr h GLN 172 Cb 0.34 0.02 -0.02 0.00 1.07 0.00 0.00 27.48 28.89 1agr h GLN 172 CO 0.02 1.07 -0.51 -0.44 -2.65 0.00 0.00 178.83 176.32 1agr h ASP 173 N 0.66 -1.38 -0.85 -0.69 3.32 -1.80 0.46 116.42 116.13 1agr h ASP 173 Ca 0.05 0.11 0.22 0.00 0.02 0.00 0.00 57.03 57.42 1agr h ASP 173 Cb 0.98 0.45 -0.05 0.00 0.22 0.00 0.00 39.33 40.93 1agr h ASP 173 CO 0.09 -0.68 0.59 0.58 -1.72 0.00 0.00 179.24 178.10 1agr h VAL 174 N -1.03 0.64 0.00 -1.35 2.07 -1.13 0.17 116.25 115.62 1agr h VAL 174 Ca -0.07 -0.07 -0.14 0.00 0.82 0.00 0.00 66.70 67.24 1agr h VAL 174 Cb 0.89 0.41 -0.02 0.00 -1.52 0.00 0.00 31.29 31.05 1agr h VAL 174 CO -0.04 0.04 -0.64 -0.07 0.02 0.00 0.00 177.57 176.87 1agr h LEU 175 N 0.21 0.00 0.00 2.57 3.38 -0.49 -3.22 115.31 117.76 1agr h LEU 175 Ca 0.43 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.40 1agr h LEU 175 Cb 1.34 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.09 1agr h LEU 175 CO -0.10 0.64 -0.19 0.03 0.09 0.00 0.00 178.44 178.92 1agr h ARG 176 N 0.00 0.00 -6.89 1.13 2.47 0.15 -3.47 114.38 107.77 1agr h ARG 176 Ca -0.01 0.00 -0.56 0.00 -1.26 0.00 0.00 59.98 58.16 1agr h ARG 176 Cb 1.41 0.00 0.18 0.00 -1.65 0.00 0.00 29.97 29.91 1agr h ARG 176 CO 0.08 0.00 0.04 0.25 0.56 0.00 0.00 179.97 180.90 1agr n THR 177 N -2.82 2.87 -4.99 2.04 -2.24 -0.73 -4.64 114.28 103.76 1agr n THR 177 Ca 0.04 -0.40 -0.32 0.00 -2.27 0.00 0.00 64.05 61.09 1agr n THR 177 Cb 0.51 -1.06 -0.14 0.00 -2.10 0.00 0.00 70.33 67.54 1agr n THR 177 CO 0.00 0.00 0.00 -0.60 -0.57 0.00 0.00 175.07 173.90 1agr s ARG 178 N -3.14 2.60 -0.37 -0.78 6.06 -1.26 -5.06 118.95 116.99 1agr s ARG 178 Ca 0.73 -0.76 0.06 0.00 -2.50 0.00 0.00 55.73 53.26 1agr s ARG 178 Cb -0.36 -2.34 0.19 0.00 0.06 0.00 0.00 34.95 32.50 1agr s ARG 178 CO 0.51 0.51 0.65 0.08 -2.50 0.00 0.00 175.30 174.54 1agr s VAL 179 N -0.45 -0.95 0.26 7.11 1.01 -1.26 -4.96 120.40 121.16 1agr s VAL 179 Ca 0.05 0.00 -0.29 0.00 0.00 0.00 0.00 61.98 61.74 1agr s VAL 179 Cb -0.12 -0.29 -0.15 0.00 0.00 0.00 0.00 36.38 35.82 1agr s VAL 179 CO 0.02 0.00 0.97 1.17 0.00 0.00 0.00 175.10 177.25 1agr n LYS 180 N 4.69 1.12 -3.88 2.72 4.81 -1.26 -4.92 118.16 121.44 1agr n LYS 180 Ca 0.09 0.40 -0.35 0.00 -0.87 0.00 0.00 58.31 57.57 1agr n LYS 180 Cb 0.56 -1.73 -0.10 0.00 0.02 0.00 0.00 35.03 33.78 1agr n LYS 180 CO 0.00 0.00 0.00 0.99 1.17 0.00 0.00 177.40 179.56 1agr s THR 181 N -0.90 4.83 -0.07 3.15 2.01 -1.26 -5.08 115.64 118.32 1agr s THR 181 Ca 0.62 -0.01 0.03 0.00 0.31 0.00 0.00 61.69 62.64 1agr s THR 181 Cb -0.76 -3.21 -0.02 0.00 0.01 0.00 0.00 72.50 68.52 1agr s THR 181 CO 0.58 0.41 -0.15 0.28 -0.69 0.00 0.00 174.62 175.06 1agr s THR 182 N 0.77 3.00 0.00 -0.82 -1.32 -1.26 -4.15 115.64 111.86 1agr s THR 182 Ca 0.05 -0.73 0.00 0.00 -1.21 0.00 0.00 61.69 59.80 1agr s THR 182 Cb -0.13 -2.19 0.00 0.00 -1.51 0.00 0.00 72.50 68.66 1agr s THR 182 CO 0.02 0.57 0.00 0.61 -2.21 0.00 0.00 174.62 173.61 1agr n GLY 183 N 2.67 0.82 2.81 6.08 0.00 -1.26 -4.86 105.19 111.45 1agr n GLY 183 Ca -0.17 -1.36 -0.15 0.00 0.00 0.00 0.00 46.02 44.33 1agr n GLY 183 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1agr s ILE 184 N 0.00 -0.43 -0.11 -0.61 1.01 -1.26 -2.71 121.20 117.08 1agr s ILE 184 Ca 0.00 -0.10 -0.03 0.00 0.00 0.00 0.00 60.65 60.52 1agr s ILE 184 Cb 0.00 -0.73 -0.03 0.00 0.01 0.00 0.00 42.46 41.70 1agr s ILE 184 CO 0.00 -0.18 0.03 -0.69 0.00 0.00 0.00 174.94 174.10 1agr s VAL 185 N 2.41 4.52 -0.10 2.92 1.01 -0.39 -4.96 120.40 125.80 1agr s VAL 185 Ca 0.09 -0.16 0.02 0.00 0.00 0.00 0.00 61.98 61.93 1agr s VAL 185 Cb -0.16 -2.94 -0.01 0.00 0.00 0.00 0.00 36.38 33.27 1agr s VAL 185 CO -0.14 0.58 -0.17 -0.70 0.00 0.00 0.00 175.10 174.67 1agr s GLU 186 N -0.64 3.09 0.03 2.72 2.12 -1.26 -0.32 118.70 124.44 1agr s GLU 186 Ca 0.11 -0.75 0.04 0.00 0.36 0.00 0.00 54.97 54.73 1agr s GLU 186 Cb -0.12 -2.47 -0.02 0.00 0.26 0.00 0.00 34.13 31.78 1agr s GLU 186 CO 0.02 0.29 -0.13 0.99 -0.54 0.00 0.00 175.26 175.89 1agr s THR 187 N 0.13 1.04 -0.07 -1.70 2.01 0.47 -4.98 115.64 112.54 1agr s THR 187 Ca -0.09 -0.95 0.05 0.00 0.31 0.00 0.00 61.69 61.02 1agr s THR 187 Cb -0.15 -0.95 -0.01 0.00 0.01 0.00 0.00 72.50 71.40 1agr s THR 187 CO 0.05 -0.00 -0.24 -1.00 -0.69 0.00 0.00 174.62 172.74 1agr s HIS 188 N -0.83 2.41 0.16 4.92 3.76 -1.26 -0.22 115.29 124.23 1agr s HIS 188 Ca 0.01 -0.79 -0.21 0.00 -0.15 0.00 0.00 55.06 53.92 1agr s HIS 188 Cb -0.08 -1.59 0.06 0.00 1.11 0.00 0.00 32.58 32.08 1agr s HIS 188 CO 0.01 -0.26 0.55 -0.59 -0.85 0.00 0.00 174.74 173.60 1agr s PHE 189 N -0.02 -0.42 -0.12 1.40 -0.71 -0.92 -5.02 117.98 112.16 1agr s PHE 189 Ca -0.07 0.17 0.01 0.00 -1.04 0.00 0.00 56.93 56.00 1agr s PHE 189 Cb -0.15 0.48 -0.01 0.00 -1.21 0.00 0.00 43.02 42.13 1agr s PHE 189 CO 0.05 -0.83 -0.17 0.99 -1.34 0.00 0.00 175.22 173.92 1agr s THR 190 N -3.78 2.71 -0.05 -4.49 2.01 -1.26 -0.32 115.64 110.46 1agr s THR 190 Ca 0.02 -0.79 -0.03 0.00 0.31 0.00 0.00 61.69 61.20 1agr s THR 190 Cb -0.00 -2.11 0.03 0.00 0.01 0.00 0.00 72.50 70.43 1agr s THR 190 CO -0.12 0.54 0.12 0.12 -0.69 0.00 0.00 174.62 174.60 1agr s PHE 191 N 0.29 -0.13 -1.46 4.92 5.36 -0.17 -4.86 117.98 121.93 1agr s PHE 191 Ca -0.13 0.39 -0.05 0.00 -0.96 0.00 0.00 56.93 56.18 1agr s PHE 191 Cb -0.16 -0.04 0.04 0.00 -0.34 0.00 0.00 43.02 42.51 1agr s PHE 191 CO 0.07 -0.12 0.60 1.63 -1.46 0.00 0.00 175.22 175.94 1agr n LYS 192 N 3.73 -3.80 -0.79 10.12 5.02 -1.26 -0.09 118.16 131.09 1agr n LYS 192 Ca -0.21 0.46 0.00 0.00 -2.02 0.00 0.00 58.31 56.54 1agr n LYS 192 Cb 0.55 -4.86 0.00 0.00 -0.02 0.00 0.00 35.03 30.70 1agr n LYS 192 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 1agr n ASP 193 N -2.92 -2.72 -4.85 4.39 8.00 -1.26 -4.96 116.55 112.23 1agr n ASP 193 Ca -0.19 0.00 -0.32 0.00 0.71 0.00 0.00 54.79 54.99 1agr n ASP 193 Cb 0.63 -2.50 -0.06 0.00 -0.02 0.00 0.00 41.12 39.17 1agr n ASP 193 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 1agr s LEU 194 N 0.00 4.05 -0.27 0.64 1.43 0.87 -4.90 118.68 120.50 1agr s LEU 194 Ca 0.00 1.21 -0.04 0.00 -1.03 0.00 0.00 54.13 54.28 1agr s LEU 194 Cb 0.00 -4.02 0.02 0.00 0.03 0.00 0.00 46.19 42.22 1agr s LEU 194 CO 0.00 -0.21 0.00 -1.00 0.23 0.00 0.00 176.35 175.37 1agr s HIS 195 N -2.00 3.12 -0.19 0.29 3.76 0.75 -1.00 115.29 120.03 1agr s HIS 195 Ca 0.53 -1.37 -0.09 0.00 -0.15 0.00 0.00 55.06 53.98 1agr s HIS 195 Cb -0.10 -2.14 -0.05 0.00 1.11 0.00 0.00 32.58 31.40 1agr s HIS 195 CO 0.19 -0.68 0.11 -0.06 -0.85 0.00 0.00 174.74 173.45 1agr s PHE 196 N 1.38 3.39 -0.38 1.40 0.08 0.56 -0.77 117.98 123.65 1agr s PHE 196 Ca 0.00 0.29 -0.02 0.00 0.12 0.00 0.00 56.93 57.33 1agr s PHE 196 Cb -0.17 -2.12 0.10 0.00 -0.57 0.00 0.00 43.02 40.26 1agr s PHE 196 CO -0.01 0.30 0.15 0.15 -0.10 0.00 0.00 175.22 175.71 1agr s LYS 197 N 0.22 1.98 -0.15 0.44 1.02 0.10 -2.17 119.74 121.17 1agr s LYS 197 Ca 0.08 -1.74 -0.07 0.00 0.02 0.00 0.00 55.97 54.25 1agr s LYS 197 Cb -0.11 -3.46 -0.04 0.00 -0.52 0.00 0.00 37.83 33.70 1agr s LYS 197 CO -0.01 -0.98 0.10 1.41 -0.92 0.00 0.00 175.35 174.95 1agr s MET 198 N 1.12 3.74 -0.38 1.68 1.75 0.69 -0.67 119.30 127.23 1agr s MET 198 Ca 0.07 -0.25 0.03 0.00 -1.25 0.00 0.00 55.69 54.29 1agr s MET 198 Cb -0.22 -3.21 0.11 0.00 2.84 0.00 0.00 34.83 34.35 1agr s MET 198 CO -0.04 0.50 0.10 -0.06 -0.65 0.00 0.00 175.02 174.87 1agr s PHE 199 N -0.24 3.67 0.31 4.11 0.40 0.34 -0.40 117.98 126.16 1agr s PHE 199 Ca 0.09 -2.95 -0.27 0.00 -0.60 0.00 0.00 56.93 53.20 1agr s PHE 199 Cb -0.12 -2.96 -0.09 0.00 0.51 0.00 0.00 43.02 40.36 1agr s PHE 199 CO 0.01 -0.92 0.97 0.34 0.70 0.00 0.00 175.22 176.32 1agr s ASP 200 N 0.86 7.33 0.13 1.36 2.15 0.57 -1.87 116.67 127.20 1agr s ASP 200 Ca 0.12 1.94 0.00 0.00 0.43 0.00 0.00 52.55 55.04 1agr s ASP 200 Cb -0.20 -2.59 -0.04 0.00 -0.30 0.00 0.00 42.92 39.78 1agr s ASP 200 CO -0.06 -0.07 0.01 0.68 -0.17 0.00 0.00 175.17 175.56 1agr s VAL 201 N -1.46 0.36 0.29 1.11 -7.23 -1.25 -1.27 120.40 110.96 1agr s VAL 201 Ca 0.48 -1.92 -0.27 0.00 -1.81 0.00 0.00 61.98 58.46 1agr s VAL 201 Cb -0.22 -1.95 -0.10 0.00 0.56 0.00 0.00 36.38 34.67 1agr s VAL 201 CO 0.28 -0.59 0.95 -0.83 -0.31 0.00 0.00 175.10 174.60 1agr s GLY 202 N -3.07 2.92 0.04 2.32 0.00 -1.10 -4.92 107.32 103.51 1agr s GLY 202 Ca 0.20 0.57 0.21 0.00 0.00 0.00 0.00 44.72 45.70 1agr s GLY 202 CO 0.00 1.06 0.67 0.61 0.00 0.00 0.00 173.10 175.44 1agr n GLY 203 N 0.89 -1.18 3.74 0.20 0.00 -1.26 -4.54 105.19 103.04 1agr n GLY 203 Ca 0.01 -0.33 -0.37 0.00 0.00 0.00 0.00 46.02 45.33 1agr n GLY 203 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1agr s GLN 204 N -3.23 2.77 0.33 1.61 1.11 -1.26 -3.37 119.66 117.61 1agr s GLN 204 Ca -0.05 2.02 0.11 0.00 0.01 0.00 0.00 55.36 57.46 1agr s GLN 204 Cb 0.11 -1.93 0.96 0.00 -1.01 0.00 0.00 33.01 31.14 1agr s GLN 204 CO 0.84 -1.42 1.70 0.00 0.01 0.00 0.00 175.29 176.43 1agr h ARG 205 N 0.79 0.47 0.00 2.91 3.08 -1.98 0.55 114.38 120.20 1agr h ARG 205 Ca -0.51 -0.03 -0.08 0.00 0.07 0.00 0.00 59.98 59.44 1agr h ARG 205 Cb 1.32 -0.11 -0.01 0.00 0.08 0.00 0.00 29.97 31.25 1agr h ARG 205 CO 0.54 0.31 -0.36 0.66 -1.07 0.00 0.00 179.97 180.05 1agr h SER 206 N 0.48 0.00 1.58 7.04 4.64 -1.98 -2.67 113.55 122.64 1agr h SER 206 Ca 0.68 0.00 -0.06 0.00 -0.47 0.00 0.00 61.79 61.94 1agr h SER 206 Cb 1.40 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.48 1agr h SER 206 CO -0.53 0.36 -0.27 -0.33 -0.87 0.00 0.00 176.83 175.20 1agr h GLU 207 N 0.00 0.00 0.00 4.77 4.39 -0.20 -3.36 114.58 120.19 1agr h GLU 207 Ca -0.00 0.00 -0.02 0.00 0.34 0.00 0.00 59.36 59.67 1agr h GLU 207 Cb 0.69 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 29.34 1agr h GLU 207 CO 0.05 0.27 -0.11 0.00 -1.16 0.00 0.00 179.01 178.05 1agr h ARG 208 N 0.00 0.00 0.00 2.33 3.08 -1.10 -1.57 114.38 117.12 1agr h ARG 208 Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 1agr h ARG 208 Cb 1.13 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.18 1agr h ARG 208 CO 0.03 0.11 0.00 1.57 -1.07 0.00 0.00 179.97 180.62 1agr h LYS 209 N 0.00 0.00 0.00 0.04 2.10 -1.75 -1.27 116.57 115.68 1agr h LYS 209 Ca -0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 1agr h LYS 209 Cb 0.42 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.75 1agr h LYS 209 CO 0.01 0.00 -0.29 1.63 -2.00 0.00 0.00 179.45 178.80 1agr n LYS 210 N -3.00 0.14 -0.19 0.07 5.02 -0.59 -4.29 118.16 115.31 1agr n LYS 210 Ca -0.00 0.07 -0.02 0.00 -2.02 0.00 0.00 58.31 56.34 1agr n LYS 210 Cb 0.24 -1.62 0.08 0.00 -0.02 0.00 0.00 35.03 33.72 1agr n LYS 210 CO 0.00 0.00 0.00 -1.49 -0.52 0.00 0.00 177.40 175.39 1agr h TRP 211 N 0.00 0.48 0.00 2.13 4.06 -1.33 -2.44 115.95 118.85 1agr h TRP 211 Ca 0.00 0.03 0.00 0.00 2.06 0.00 0.00 58.89 60.98 1agr h TRP 211 Cb 0.62 -0.13 0.00 0.00 -1.00 0.00 0.00 29.16 28.65 1agr h TRP 211 CO 0.00 0.19 0.02 1.51 -3.56 0.00 0.00 178.44 176.60 1agr n ILE 212 N -4.91 1.61 0.30 1.49 3.06 -1.26 -0.94 119.36 118.70 1agr n ILE 212 Ca 0.07 0.58 0.15 0.00 -2.50 0.00 0.00 62.75 61.05 1agr n ILE 212 Cb 0.20 -1.58 0.70 0.00 0.54 0.00 0.00 39.64 39.49 1agr n ILE 212 CO 0.00 0.00 0.00 0.45 -2.50 0.00 0.00 176.55 174.50 1agr h HIS 213 N 0.00 0.00 0.00 9.51 3.86 -1.73 -3.14 115.15 123.65 1agr h HIS 213 Ca 0.00 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.21 1agr h HIS 213 Cb 0.04 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.51 1agr h HIS 213 CO 0.00 0.00 -0.02 0.00 0.86 0.00 0.00 177.93 178.77 1agr n PHE 215 N -0.55 0.00 -3.82 0.00 3.01 -1.19 -4.81 117.46 110.11 1agr n PHE 215 Ca 0.02 0.00 -0.36 0.00 1.01 0.00 0.00 57.45 58.12 1agr n PHE 215 Cb 0.36 0.00 -0.11 0.00 -0.01 0.00 0.00 39.48 39.72 1agr n PHE 215 CO 0.00 0.00 0.00 -2.00 1.01 0.00 0.00 176.76 175.77 1agr s GLU 216 N -2.00 3.80 -0.65 -1.08 2.12 -1.26 -4.51 118.70 115.11 1agr s GLU 216 Ca 0.08 -0.41 -0.00 0.00 0.36 0.00 0.00 54.97 54.99 1agr s GLU 216 Cb 0.04 -3.34 -0.00 0.00 0.26 0.00 0.00 34.13 31.08 1agr s GLU 216 CO 0.06 -0.04 0.55 0.41 -0.54 0.00 0.00 175.26 175.70 1agr n GLY 217 N 4.51 -0.02 3.56 -1.50 0.00 -1.26 -4.98 105.19 105.50 1agr n GLY 217 Ca -0.16 -0.13 -0.42 0.00 0.00 0.00 0.00 46.02 45.32 1agr n GLY 217 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1agr s VAL 218 N -3.20 4.90 0.02 1.61 1.01 -1.26 -4.60 120.40 118.88 1agr s VAL 218 Ca 0.02 0.53 -0.20 0.00 0.00 0.00 0.00 61.98 62.33 1agr s VAL 218 Cb -0.00 -4.08 -0.11 0.00 0.00 0.00 0.00 36.38 32.19 1agr s VAL 218 CO 0.40 -0.33 1.14 0.74 0.00 0.00 0.00 175.10 177.06 1agr h THR 219 N 5.69 0.00 -3.94 3.92 2.02 -1.31 -3.42 112.91 115.86 1agr h THR 219 Ca -0.26 -0.10 -0.26 0.00 0.77 0.00 0.00 66.41 66.56 1agr h THR 219 Cb 1.11 0.00 -0.20 0.00 -1.74 0.00 0.00 68.15 67.32 1agr h THR 219 CO 0.83 0.00 -0.73 0.00 0.37 0.00 0.00 175.52 176.00 1agr s ALA 220 N -4.52 0.65 -0.14 6.16 0.00 -0.97 -1.66 121.76 121.28 1agr s ALA 220 Ca -0.10 -0.88 0.02 0.00 0.00 0.00 0.00 51.96 50.99 1agr s ALA 220 Cb 0.01 0.07 0.01 0.00 0.00 0.00 0.00 23.12 23.20 1agr s ALA 220 CO 0.31 -0.06 -0.20 0.42 0.00 0.00 0.00 175.76 176.23 1agr s ILE 221 N -1.82 2.21 -0.38 0.00 1.01 -0.59 -1.41 121.20 120.23 1agr s ILE 221 Ca -0.06 -0.93 -0.18 0.00 0.00 0.00 0.00 60.65 59.49 1agr s ILE 221 Cb -0.07 -1.89 0.00 0.00 0.01 0.00 0.00 42.46 40.51 1agr s ILE 221 CO -0.01 0.54 0.48 -0.63 0.00 0.00 0.00 174.94 175.32 1agr s ILE 222 N 0.78 5.04 -0.69 2.92 1.01 -0.63 -0.48 121.20 129.16 1agr s ILE 222 Ca -0.07 0.06 -0.13 0.00 0.00 0.00 0.00 60.65 60.51 1agr s ILE 222 Cb -0.16 -3.99 0.18 0.00 0.01 0.00 0.00 42.46 38.51 1agr s ILE 222 CO -0.01 -0.29 0.62 0.12 0.00 0.00 0.00 174.94 175.38 1agr s PHE 223 N 2.30 3.55 0.54 3.97 2.19 0.66 -1.47 117.98 129.72 1agr s PHE 223 Ca 0.16 -1.87 -0.21 0.00 0.33 0.00 0.00 56.93 55.34 1agr s PHE 223 Cb -0.16 -3.72 -0.05 0.00 -1.31 0.00 0.00 43.02 37.78 1agr s PHE 223 CO 0.14 -0.98 1.26 0.00 1.83 0.00 0.00 175.22 177.47 1agr s VAL 225 N -1.44 -0.29 -0.52 0.00 1.01 0.47 -4.50 120.40 115.12 1agr s VAL 225 Ca 0.71 0.32 -0.29 0.00 0.00 0.00 0.00 61.98 62.73 1agr s VAL 225 Cb -0.34 -0.34 0.03 0.00 0.00 0.00 0.00 36.38 35.73 1agr s VAL 225 CO 0.40 0.14 1.16 0.00 0.00 0.00 0.00 175.10 176.79 1agr s ALA 226 N 2.26 3.09 0.45 5.51 0.00 -1.26 0.76 121.76 132.57 1agr s ALA 226 Ca 0.02 -0.64 0.14 0.00 0.00 0.00 0.00 51.96 51.47 1agr s ALA 226 Cb -0.12 -3.95 1.06 0.00 0.00 0.00 0.00 23.12 20.11 1agr s ALA 226 CO -0.07 -2.44 2.03 -0.07 0.00 0.00 0.00 175.76 175.21 1agr h LEU 227 N 11.52 0.30 -0.51 0.00 3.38 -1.08 -2.48 115.31 126.44 1agr h LEU 227 Ca -0.24 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.73 1agr h LEU 227 Cb 1.06 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 41.75 1agr h LEU 227 CO 1.15 0.19 0.00 -1.54 0.09 0.00 0.00 178.44 178.34 1agr n SER 228 N -4.47 0.52 -1.58 -0.43 3.41 -1.26 -3.39 113.62 106.41 1agr n SER 228 Ca 0.06 -2.00 0.10 0.00 -0.26 0.00 0.00 58.87 56.77 1agr n SER 228 Cb 0.28 -0.25 0.36 0.00 -0.26 0.00 0.00 64.21 64.33 1agr n SER 228 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 1agr n ASP 229 N -0.24 4.68 0.23 4.04 9.92 -0.93 -4.43 116.55 129.81 1agr n ASP 229 Ca 0.00 -2.37 0.10 0.00 -0.53 0.00 0.00 54.79 51.99 1agr n ASP 229 Cb 0.13 -0.57 0.47 0.00 -0.64 0.00 0.00 41.12 40.51 1agr n ASP 229 CO 0.00 0.00 0.00 0.10 0.13 0.00 0.00 177.20 177.43 1agr h TYR 230 N 4.20 0.00 -0.09 1.24 -0.00 -1.80 -2.69 116.97 117.83 1agr h TYR 230 Ca 0.00 0.00 -0.02 0.00 -0.00 0.00 0.00 58.73 58.71 1agr h TYR 230 Cb 1.39 0.00 -0.01 0.00 -0.00 0.00 0.00 36.73 38.11 1agr h TYR 230 CO 0.73 0.21 -0.07 -0.40 -0.00 0.00 0.00 178.16 178.63 1agr n ASP 231 N -3.37 2.64 -4.64 0.10 5.75 -1.26 -3.48 116.55 112.30 1agr n ASP 231 Ca 0.00 -3.24 -0.27 0.00 -0.01 0.00 0.00 54.79 51.27 1agr n ASP 231 Cb 0.42 -0.49 -0.10 0.00 -1.03 0.00 0.00 41.12 39.93 1agr n ASP 231 CO 0.00 0.00 0.00 -0.76 -0.11 0.00 0.00 177.20 176.33 1agr s LEU 232 N -2.95 2.92 0.25 -2.12 1.43 -1.19 -4.82 118.68 112.20 1agr s LEU 232 Ca 0.36 -1.23 0.11 0.00 -1.03 0.00 0.00 54.13 52.34 1agr s LEU 232 Cb 0.32 -1.09 -0.05 0.00 0.03 0.00 0.00 46.19 45.40 1agr s LEU 232 CO 0.03 -0.41 -0.21 0.68 0.23 0.00 0.00 176.35 176.68 1agr s VAL 233 N -2.65 2.38 0.25 -1.59 -7.23 -1.26 -1.33 120.40 108.98 1agr s VAL 233 Ca 0.36 -2.27 -0.30 0.00 -1.81 0.00 0.00 61.98 57.95 1agr s VAL 233 Cb 0.06 -2.22 -0.10 0.00 0.56 0.00 0.00 36.38 34.68 1agr s VAL 233 CO 0.19 -0.33 1.51 -0.76 -0.31 0.00 0.00 175.10 175.40 1agr s LEU 234 N -3.23 4.37 0.23 1.32 1.43 0.34 -4.68 118.68 118.45 1agr s LEU 234 Ca 0.26 2.75 -0.07 0.00 -1.03 0.00 0.00 54.13 56.05 1agr s LEU 234 Cb -0.06 -3.62 0.33 0.00 0.03 0.00 0.00 46.19 42.88 1agr s LEU 234 CO 0.13 -0.79 1.78 0.00 0.23 0.00 0.00 176.35 177.70 1agr h ALA 235 N 5.23 1.00 0.00 4.21 0.00 -1.97 0.01 119.26 127.73 1agr h ALA 235 Ca -0.46 0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.50 1agr h ALA 235 Cb 1.22 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.94 1agr h ALA 235 CO 0.80 -0.02 0.00 -0.85 0.00 0.00 0.00 179.25 179.18 1agr n GLU 236 N -4.84 0.79 -3.07 0.00 0.00 -1.26 -4.52 120.64 107.73 1agr n GLU 236 Ca 0.11 0.01 0.02 0.00 0.00 0.00 0.00 57.16 57.30 1agr n GLU 236 Cb 0.27 -1.50 -0.00 0.00 0.00 0.00 0.00 31.44 30.20 1agr n GLU 236 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.13 177.47 1agr s ASP 237 N -2.15 -1.12 0.25 -1.84 -1.08 -0.02 -5.04 116.67 105.68 1agr s ASP 237 Ca 0.40 -0.40 0.11 0.00 -0.52 0.00 0.00 52.55 52.14 1agr s ASP 237 Cb 0.20 1.48 0.60 0.00 -1.46 0.00 0.00 42.92 43.74 1agr s ASP 237 CO 0.37 -0.14 1.23 -0.62 0.52 0.00 0.00 175.17 176.52 1agr n GLU 238 N 4.41 0.07 0.00 4.34 1.02 -1.18 -1.01 120.64 128.30 1agr n GLU 238 Ca 0.08 0.52 0.12 0.00 -0.02 0.00 0.00 57.16 57.87 1agr n GLU 238 Cb 0.58 -1.99 0.19 0.00 -0.02 0.00 0.00 31.44 30.21 1agr n GLU 238 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 1agr n GLU 239 N -1.91 2.06 -4.61 3.49 1.02 -1.26 -4.81 120.64 114.61 1agr n GLU 239 Ca -0.01 -1.61 -0.33 0.00 -0.02 0.00 0.00 57.16 55.19 1agr n GLU 239 Cb 0.26 -1.47 -0.13 0.00 -0.02 0.00 0.00 31.44 30.08 1agr n GLU 239 CO 0.00 0.00 0.00 1.41 1.18 0.00 0.00 177.13 179.72 1agr s MET 240 N -2.05 3.51 0.02 3.49 1.75 -0.18 -5.04 119.30 120.80 1agr s MET 240 Ca 0.29 -0.61 -0.30 0.00 -1.25 0.00 0.00 55.69 53.82 1agr s MET 240 Cb 0.20 -2.76 -0.04 0.00 2.84 0.00 0.00 34.83 35.07 1agr s MET 240 CO 0.34 0.23 1.12 1.21 -0.65 0.00 0.00 175.02 177.26 1agr s ASN 241 N 0.36 7.18 0.23 1.11 3.84 -1.26 -0.51 114.94 125.89 1agr s ASN 241 Ca -0.08 1.86 -0.08 0.00 0.21 0.00 0.00 52.86 54.77 1agr s ASN 241 Cb -0.15 -2.57 0.24 0.00 -0.55 0.00 0.00 41.25 38.22 1agr s ASN 241 CO 0.04 -0.41 1.88 0.03 -2.79 0.00 0.00 177.10 175.85 1agr h ARG 242 N 6.88 1.02 0.12 0.43 3.08 -1.34 0.04 114.38 124.61 1agr h ARG 242 Ca -0.40 -0.06 0.01 0.00 0.07 0.00 0.00 59.98 59.60 1agr h ARG 242 Cb 1.21 -0.23 -0.02 0.00 0.08 0.00 0.00 29.97 31.01 1agr h ARG 242 CO 0.80 0.68 -0.17 1.98 -1.07 0.00 0.00 179.97 182.19 1agr h MET 243 N 1.05 -0.33 -0.43 0.04 4.05 -1.73 0.73 114.93 118.31 1agr h MET 243 Ca 0.33 0.02 0.03 0.00 -0.28 0.00 0.00 59.70 59.80 1agr h MET 243 Cb -0.01 0.07 -0.02 0.00 -0.80 0.00 0.00 31.60 30.84 1agr h MET 243 CO -0.11 -0.22 0.28 0.45 0.23 0.00 0.00 176.91 177.55 1agr h HIS 244 N -0.34 0.46 0.22 1.39 3.86 -1.80 0.15 115.15 119.09 1agr h HIS 244 Ca 0.02 0.01 -0.01 0.00 -1.16 0.00 0.00 60.37 59.23 1agr h HIS 244 Cb 0.34 -0.15 0.00 0.00 1.06 0.00 0.00 27.41 28.66 1agr h HIS 244 CO -0.16 0.27 -0.10 1.49 0.86 0.00 0.00 177.93 180.29 1agr h GLU 245 N 0.48 -0.28 -0.43 2.45 4.57 -0.04 -2.28 114.58 119.06 1agr h GLU 245 Ca 0.17 0.02 0.03 0.00 -1.18 0.00 0.00 59.36 58.40 1agr h GLU 245 Cb 0.08 0.06 -0.04 0.00 -0.16 0.00 0.00 28.75 28.70 1agr h GLU 245 CO -0.04 -0.16 0.21 0.77 -1.18 0.00 0.00 179.01 178.61 1agr h SER 246 N -0.32 0.31 -0.16 1.04 0.02 0.48 0.78 113.55 115.70 1agr h SER 246 Ca -0.03 0.02 0.05 0.00 -0.84 0.00 0.00 61.79 60.99 1agr h SER 246 Cb 0.25 -0.04 -0.05 0.00 0.14 0.00 0.00 62.40 62.70 1agr h SER 246 CO 0.05 0.22 -0.15 0.24 -1.14 0.00 0.00 176.83 176.06 1agr h MET 247 N 0.43 -0.16 -0.16 3.45 2.86 -0.73 0.32 114.93 120.94 1agr h MET 247 Ca 0.18 0.01 0.04 0.00 -2.06 0.00 0.00 59.70 57.88 1agr h MET 247 Cb 0.09 0.04 -0.05 0.00 0.06 0.00 0.00 31.60 31.74 1agr h MET 247 CO -0.13 -0.10 -0.14 0.87 1.06 0.00 0.00 176.91 178.47 1agr h LYS 248 N -0.16 -0.15 -0.35 1.72 1.57 -0.77 0.20 116.57 118.63 1agr h LYS 248 Ca 0.11 0.01 0.03 0.00 -1.87 0.00 0.00 60.65 58.93 1agr h LYS 248 Cb 0.32 0.03 -0.03 0.00 0.08 0.00 0.00 32.23 32.63 1agr h LYS 248 CO -0.26 -0.10 0.14 1.25 -0.57 0.00 0.00 179.45 179.91 1agr h LEU 249 N -0.15 0.17 -0.03 2.94 5.85 -0.06 -1.57 115.31 122.47 1agr h LEU 249 Ca 0.10 0.03 -0.00 0.00 0.84 0.00 0.00 57.88 58.85 1agr h LEU 249 Cb 0.30 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 41.34 1agr h LEU 249 CO -0.25 0.14 0.01 0.15 -0.34 0.00 0.00 178.44 178.15 1agr h PHE 250 N 0.30 0.04 -1.02 1.25 3.57 0.31 0.12 116.94 121.50 1agr h PHE 250 Ca 0.15 -0.00 0.25 0.00 3.53 0.00 0.00 57.97 61.90 1agr h PHE 250 Cb 0.11 -0.01 -0.10 0.00 2.79 0.00 0.00 35.95 38.74 1agr h PHE 250 CO -0.13 0.16 0.64 0.22 -2.23 0.00 0.00 178.31 176.97 1agr h ASP 251 N -0.09 0.54 0.35 0.41 1.82 -0.45 0.30 116.42 119.30 1agr h ASP 251 Ca 0.01 0.09 -0.02 0.00 -0.39 0.00 0.00 57.03 56.72 1agr h ASP 251 Cb 0.14 0.00 0.00 0.00 0.68 0.00 0.00 39.33 40.15 1agr h ASP 251 CO -0.00 0.13 -0.17 -1.28 -1.61 0.00 0.00 179.24 176.31 1agr h SER 252 N 0.49 -0.40 0.17 2.28 0.87 -0.18 -2.74 113.55 114.04 1agr h SER 252 Ca 0.59 0.01 0.01 0.00 -1.23 0.00 0.00 61.79 61.18 1agr h SER 252 Cb 1.33 0.10 -0.03 0.00 -0.44 0.00 0.00 62.40 63.36 1agr h SER 252 CO -0.33 -0.10 -0.28 0.40 -0.53 0.00 0.00 176.83 175.99 1agr h ILE 253 N -0.85 0.40 -0.37 2.23 1.08 -0.48 -2.22 117.51 117.30 1agr h ILE 253 Ca -0.05 0.00 0.06 0.00 -0.39 0.00 0.00 64.86 64.48 1agr h ILE 253 Cb 0.36 0.40 -0.08 0.00 -3.07 0.00 0.00 36.82 34.43 1agr h ILE 253 CO 0.08 0.00 -0.48 0.00 -0.69 0.00 0.00 178.15 177.05 1agr n ASN 255 N -5.41 0.00 -4.73 0.00 3.02 -1.03 -4.86 115.26 102.25 1agr n ASN 255 Ca -0.02 -1.52 -0.41 0.00 -0.03 0.00 0.00 54.58 52.59 1agr n ASN 255 Cb 0.35 0.00 -0.03 0.00 -0.61 0.00 0.00 39.78 39.49 1agr n ASN 255 CO 0.00 0.00 0.00 0.21 -2.62 0.00 0.00 177.26 174.85 1agr s ASN 256 N -1.45 6.92 0.39 6.41 3.84 -0.29 -4.93 114.94 125.84 1agr s ASN 256 Ca 0.20 2.34 0.07 0.00 0.21 0.00 0.00 52.86 55.68 1agr s ASN 256 Cb 0.09 -2.60 0.83 0.00 -0.55 0.00 0.00 41.25 39.02 1agr s ASN 256 CO 0.15 -0.53 2.01 0.50 -2.79 0.00 0.00 177.10 176.45 1agr h LYS 257 N 5.73 0.60 -0.04 0.43 3.64 -1.89 0.51 116.57 125.55 1agr h LYS 257 Ca -0.44 -0.04 0.01 0.00 -1.27 0.00 0.00 60.65 58.92 1agr h LYS 257 Cb 1.21 -0.14 -0.00 0.00 -0.41 0.00 0.00 32.23 32.90 1agr h LYS 257 CO 0.79 0.40 0.07 -1.49 -2.27 0.00 0.00 179.45 176.95 1agr h TRP 258 N 0.62 0.00 -0.37 1.91 4.06 -1.92 -2.69 115.95 117.56 1agr h TRP 258 Ca 0.23 0.00 -0.07 0.00 2.06 0.00 0.00 58.89 61.11 1agr h TRP 258 Cb 0.14 0.00 -0.04 0.00 -1.00 0.00 0.00 29.16 28.26 1agr h TRP 258 CO -0.00 0.00 0.03 1.19 -3.56 0.00 0.00 178.44 176.10 1agr n PHE 259 N -3.52 1.27 -0.22 0.49 3.72 0.17 -4.70 117.46 114.67 1agr n PHE 259 Ca -0.02 -1.07 -0.02 0.00 -0.05 0.00 0.00 57.45 56.30 1agr n PHE 259 Cb 0.16 -0.42 0.09 0.00 -0.94 0.00 0.00 39.48 38.37 1agr n PHE 259 CO 0.00 0.00 0.00 1.15 -0.05 0.00 0.00 176.76 177.86 1agr h THR 260 N 1.87 0.95 -1.38 4.37 2.02 -1.51 -2.93 112.91 116.31 1agr h THR 260 Ca 0.09 -0.22 -0.61 0.00 0.77 0.00 0.00 66.41 66.44 1agr h THR 260 Cb 1.66 0.26 -0.39 0.00 -1.74 0.00 0.00 68.15 67.94 1agr h THR 260 CO 0.35 0.12 -0.36 0.47 0.37 0.00 0.00 175.52 176.47 1agr n ASP 261 N -4.82 5.41 -4.33 4.18 8.00 -1.26 -4.99 116.55 118.74 1agr n ASP 261 Ca 0.08 -3.75 -0.30 0.00 0.71 0.00 0.00 54.79 51.53 1agr n ASP 261 Cb 0.18 -0.56 -0.15 0.00 -0.02 0.00 0.00 41.12 40.56 1agr n ASP 261 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 1agr s THR 262 N -5.20 2.09 -0.63 -3.53 2.01 -1.11 -4.93 115.64 104.34 1agr s THR 262 Ca 0.51 -1.31 -0.27 0.00 0.31 0.00 0.00 61.69 60.92 1agr s THR 262 Cb 0.42 -1.77 0.00 0.00 0.01 0.00 0.00 72.50 71.16 1agr s THR 262 CO -0.16 0.40 1.57 -0.44 -0.69 0.00 0.00 174.62 175.31 1agr s SER 263 N -1.09 5.77 -0.66 3.53 0.01 -0.66 -4.92 113.70 115.68 1agr s SER 263 Ca 0.11 0.12 -0.23 0.00 1.31 0.00 0.00 55.95 57.26 1agr s SER 263 Cb -0.10 -2.54 0.07 0.00 0.21 0.00 0.00 66.02 63.66 1agr s SER 263 CO 0.01 -2.03 0.98 -0.63 0.41 0.00 0.00 173.24 171.98 1agr s ILE 264 N 7.24 4.30 0.04 1.44 1.01 -1.26 -1.53 121.20 132.43 1agr s ILE 264 Ca 0.54 -0.33 -0.17 0.00 0.00 0.00 0.00 60.65 60.69 1agr s ILE 264 Cb -0.11 -4.69 -0.06 0.00 0.01 0.00 0.00 42.46 37.60 1agr s ILE 264 CO 0.20 -1.47 0.50 -0.63 0.00 0.00 0.00 174.94 173.54 1agr s ILE 265 N 4.12 4.87 -0.21 2.92 1.01 0.37 -1.30 121.20 132.98 1agr s ILE 265 Ca 0.23 1.06 -0.01 0.00 0.00 0.00 0.00 60.65 61.92 1agr s ILE 265 Cb -0.17 -3.82 0.02 0.00 0.01 0.00 0.00 42.46 38.50 1agr s ILE 265 CO 0.10 0.56 -0.12 -0.22 0.00 0.00 0.00 174.94 175.27 1agr s LEU 266 N -1.04 2.69 -0.70 2.97 2.96 -0.88 -0.25 118.68 124.43 1agr s LEU 266 Ca 0.27 -0.68 -0.15 0.00 -0.22 0.00 0.00 54.13 53.34 1agr s LEU 266 Cb -0.18 -1.60 0.17 0.00 0.50 0.00 0.00 46.19 45.08 1agr s LEU 266 CO 0.16 -0.05 0.67 -0.36 -1.32 0.00 0.00 176.35 175.46 1agr s PHE 267 N 1.34 3.47 -1.01 5.38 0.40 -0.70 -0.62 117.98 126.24 1agr s PHE 267 Ca 0.03 -1.60 -0.23 0.00 -0.60 0.00 0.00 56.93 54.53 1agr s PHE 267 Cb -0.15 -3.85 -0.03 0.00 0.51 0.00 0.00 43.02 39.50 1agr s PHE 267 CO -0.08 -1.05 1.85 -0.51 0.70 0.00 0.00 175.22 176.14 1agr s LEU 268 N 1.06 3.23 0.71 -0.37 1.43 -0.31 -0.39 118.68 124.04 1agr s LEU 268 Ca 0.12 -1.14 -0.04 0.00 -1.03 0.00 0.00 54.13 52.04 1agr s LEU 268 Cb -0.19 -2.57 0.09 0.00 0.03 0.00 0.00 46.19 43.55 1agr s LEU 268 CO -0.03 -2.53 1.00 0.21 0.23 0.00 0.00 176.35 175.23 1agr s ASN 269 N 6.97 4.54 -1.44 2.29 2.47 0.23 -1.98 114.94 128.02 1agr s ASN 269 Ca 0.65 0.07 -0.00 0.00 0.42 0.00 0.00 52.86 54.00 1agr s ASN 269 Cb -0.04 -0.60 0.00 0.00 -1.45 0.00 0.00 41.25 39.16 1agr s ASN 269 CO 0.02 -1.74 0.01 0.29 -3.72 0.00 0.00 177.10 171.96 1agr n LYS 270 N -2.88 -1.41 0.28 0.43 4.76 -1.13 -0.54 118.16 117.66 1agr n LYS 270 Ca 0.11 0.82 0.14 0.00 -2.87 0.00 0.00 58.31 56.50 1agr n LYS 270 Cb 0.60 -5.26 0.81 0.00 -1.84 0.00 0.00 35.03 29.35 1agr n LYS 270 CO 0.00 0.00 0.00 1.57 -1.37 0.00 0.00 177.40 177.60 1agr h LYS 271 N -0.03 0.00 0.01 1.97 2.10 -1.73 0.21 116.57 119.10 1agr h LYS 271 Ca -0.40 0.00 -0.00 0.00 -2.00 0.00 0.00 60.65 58.25 1agr h LYS 271 Cb 1.30 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.63 1agr h LYS 271 CO 0.47 0.06 -0.00 0.38 -2.00 0.00 0.00 179.45 178.36 1agr h ASP 272 N 0.00 -0.01 -0.48 7.07 2.03 -1.90 -1.22 116.42 121.91 1agr h ASP 272 Ca -0.00 -0.30 -0.07 0.00 -0.73 0.00 0.00 57.03 55.94 1agr h ASP 272 Cb 0.17 0.00 -0.02 0.00 -0.83 0.00 0.00 39.33 38.65 1agr h ASP 272 CO 0.01 0.29 0.04 -0.07 -1.03 0.00 0.00 179.24 178.48 1agr h LEU 273 N -0.31 0.80 -1.69 0.15 3.38 -1.74 -2.55 115.31 113.35 1agr h LEU 273 Ca -0.00 -0.29 -0.01 0.00 0.09 0.00 0.00 57.88 57.67 1agr h LEU 273 Cb 0.30 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 40.83 1agr h LEU 273 CO 0.00 0.89 0.11 0.15 0.09 0.00 0.00 178.44 179.68 1agr h PHE 274 N 0.69 0.30 -0.21 1.13 3.57 -0.57 -0.67 116.94 121.18 1agr h PHE 274 Ca 0.14 -0.00 -0.07 0.00 3.53 0.00 0.00 57.97 61.57 1agr h PHE 274 Cb 0.46 -0.10 -0.00 0.00 2.79 0.00 0.00 35.95 39.09 1agr h PHE 274 CO 0.03 0.23 -0.14 1.49 -2.23 0.00 0.00 178.31 177.69 1agr h GLU 275 N 0.32 0.47 -0.24 1.11 4.81 -0.79 -1.34 114.58 118.91 1agr h GLU 275 Ca 0.08 -0.22 -0.07 0.00 -0.13 0.00 0.00 59.36 59.03 1agr h GLU 275 Cb 0.04 -0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.41 1agr h GLU 275 CO -0.01 0.77 -0.11 1.05 -0.73 0.00 0.00 179.01 179.99 1agr h GLU 276 N 0.16 0.50 -0.76 1.92 4.11 -1.39 -3.21 114.58 115.90 1agr h GLU 276 Ca 0.04 -0.21 0.04 0.00 0.07 0.00 0.00 59.36 59.30 1agr h GLU 276 Cb 0.66 -0.02 -0.04 0.00 0.50 0.00 0.00 28.75 29.84 1agr h GLU 276 CO 0.04 0.76 0.50 -0.22 0.07 0.00 0.00 179.01 180.16 1agr h LYS 277 N 0.22 0.88 0.00 1.06 3.64 -1.05 -2.12 116.57 119.20 1agr h LYS 277 Ca 0.06 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 1agr h LYS 277 Cb 0.60 -0.20 0.00 0.00 -0.41 0.00 0.00 32.23 32.22 1agr h LYS 277 CO 0.03 0.58 0.00 1.51 -2.27 0.00 0.00 179.45 179.31 1agr n ILE 278 N -4.46 0.54 -0.09 2.00 0.13 -0.51 -0.15 119.36 116.82 1agr n ILE 278 Ca 0.10 0.04 -0.13 0.00 -1.10 0.00 0.00 62.75 61.66 1agr n ILE 278 Cb 0.14 -0.77 -0.05 0.00 -0.84 0.00 0.00 39.64 38.13 1agr n ILE 278 CO 0.00 0.00 0.00 0.11 2.80 0.00 0.00 176.55 179.46 1agr h LYS 279 N 0.00 0.68 0.00 9.51 1.57 -1.47 -3.39 116.57 123.46 1agr h LYS 279 Ca 0.00 -0.36 -0.08 0.00 -1.87 0.00 0.00 60.65 58.33 1agr h LYS 279 Cb 0.47 0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.78 1agr h LYS 279 CO 0.00 0.97 -0.84 1.63 -0.57 0.00 0.00 179.45 180.64 1agr n LYS 280 N -4.28 0.49 -3.32 3.15 4.76 -1.01 -4.93 118.16 113.02 1agr n LYS 280 Ca -0.04 0.51 -0.40 0.00 -2.87 0.00 0.00 58.31 55.51 1agr n LYS 280 Cb 0.47 -1.68 -0.08 0.00 -1.84 0.00 0.00 35.03 31.89 1agr n LYS 280 CO 0.00 0.00 0.00 0.45 -1.37 0.00 0.00 177.40 176.48 1agr s SER 281 N -6.13 6.30 0.51 4.39 0.15 0.79 -5.05 113.70 114.66 1agr s SER 281 Ca -0.21 0.21 -0.23 0.00 0.70 0.00 0.00 55.95 56.42 1agr s SER 281 Cb 0.04 -2.24 -0.06 0.00 -1.71 0.00 0.00 66.02 62.05 1agr s SER 281 CO 0.35 -0.29 1.40 -2.16 1.20 0.00 0.00 173.24 173.74 1agr s PRO 282 N 2.19 3.31 0.00 5.44 0.04 -1.26 -4.44 135.00 140.29 1agr s PRO 282 Ca 0.17 2.33 0.28 0.00 0.04 0.00 0.00 61.00 63.82 1agr s PRO 282 Cb -0.16 -2.40 1.27 0.00 0.04 0.00 0.00 34.50 33.25 1agr s PRO 282 CO 0.11 -1.09 1.91 -0.11 0.04 0.00 0.00 177.00 177.86 1agr n LEU 283 N -0.74 0.00 0.26 -3.56 7.94 -1.26 -2.95 117.00 116.68 1agr n LEU 283 Ca 0.09 0.41 0.15 0.00 -1.11 0.00 0.00 56.01 55.54 1agr n LEU 283 Cb 0.44 -0.41 0.55 0.00 0.53 0.00 0.00 43.42 44.52 1agr n LEU 283 CO 0.55 -0.03 0.92 0.71 -1.11 0.00 0.00 177.39 178.44 1agr h THR 284 N 0.00 0.13 -0.80 1.96 1.35 -1.89 0.14 112.91 113.81 1agr h THR 284 Ca 0.00 -0.74 0.16 0.00 -0.55 0.00 0.00 66.41 65.28 1agr h THR 284 Cb 0.38 1.65 -0.10 0.00 -1.73 0.00 0.00 68.15 68.35 1agr h THR 284 CO 0.00 0.05 0.32 0.40 -0.25 0.00 0.00 175.52 176.05 1agr h ILE 285 N 0.00 0.61 0.00 6.82 2.04 -1.86 -2.59 117.51 122.52 1agr h ILE 285 Ca -0.00 -0.15 -0.20 0.00 1.00 0.00 0.00 64.86 65.51 1agr h ILE 285 Cb 0.65 0.13 -0.03 0.00 -0.74 0.00 0.00 36.82 36.83 1agr h ILE 285 CO 0.01 0.08 -1.10 0.00 0.00 0.00 0.00 178.15 177.14 1agr s TYR 287 N -2.34 3.45 0.20 0.00 1.51 0.46 -4.96 117.35 115.66 1agr s TYR 287 Ca -0.27 -2.01 -0.10 0.00 -1.01 0.00 0.00 57.07 53.67 1agr s TYR 287 Cb 0.05 -2.97 0.14 0.00 -0.11 0.00 0.00 41.96 39.07 1agr s TYR 287 CO 0.60 -0.91 1.82 -1.35 -1.11 0.00 0.00 175.55 174.60 1agr h PRO 288 N 8.18 1.03 0.00 -1.71 0.11 -1.72 -2.83 132.00 135.05 1agr h PRO 288 Ca -0.18 -0.12 0.00 0.00 0.11 0.00 0.00 66.00 65.81 1agr h PRO 288 Cb 1.06 -0.20 0.00 0.00 0.11 0.00 0.00 31.00 31.97 1agr h PRO 288 CO 0.70 0.76 0.00 0.39 -0.21 0.00 0.00 178.00 179.64 1agr n GLU 289 N -4.47 0.14 -2.03 1.05 -0.58 -1.26 -4.80 120.64 108.69 1agr n GLU 289 Ca 0.07 0.16 -0.43 0.00 -0.42 0.00 0.00 57.16 56.54 1agr n GLU 289 Cb 0.09 -1.50 -0.03 0.00 -0.57 0.00 0.00 31.44 29.43 1agr n GLU 289 CO 0.00 0.00 0.00 -0.47 -0.48 0.00 0.00 177.13 176.18 1agr s TYR 290 N -2.76 1.97 -1.95 -0.32 5.04 -1.07 -4.84 117.35 113.41 1agr s TYR 290 Ca 0.13 0.40 0.22 0.00 -2.44 0.00 0.00 57.07 55.38 1agr s TYR 290 Cb 0.11 -3.97 -0.03 0.00 0.35 0.00 0.00 41.96 38.43 1agr s TYR 290 CO 0.28 -3.40 1.07 0.00 -1.34 0.00 0.00 175.55 172.16 1agr n ALA 291 N 8.22 3.64 -1.00 3.97 0.00 -1.26 -4.85 120.51 129.23 1agr n ALA 291 Ca 0.19 -0.64 0.00 0.00 0.00 0.00 0.00 53.44 52.99 1agr n ALA 291 Cb 0.44 -0.78 0.00 0.00 0.00 0.00 0.00 19.45 19.11 1agr n ALA 291 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1agr n GLY 292 N 1.42 -1.65 4.02 0.00 0.00 -1.26 -5.07 105.19 102.65 1agr n GLY 292 Ca 0.09 -1.52 -0.19 0.00 0.00 0.00 0.00 46.02 44.40 1agr n GLY 292 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1agr s SER 293 N -1.28 5.30 -0.64 1.61 1.04 -1.26 -5.02 113.70 113.44 1agr s SER 293 Ca 0.00 -0.63 0.01 0.00 0.48 0.00 0.00 55.95 55.81 1agr s SER 293 Cb 0.00 -0.14 0.39 0.00 0.10 0.00 0.00 66.02 66.38 1agr s SER 293 CO 0.00 -1.13 1.62 0.59 0.98 0.00 0.00 173.24 175.30 1agr n ASN 294 N -2.12 6.30 -4.87 7.02 3.02 -1.26 -4.13 115.26 119.22 1agr n ASN 294 Ca 0.12 -3.78 -0.34 0.00 -0.03 0.00 0.00 54.58 50.55 1agr n ASN 294 Cb 0.60 -0.78 -0.05 0.00 -0.61 0.00 0.00 39.78 38.94 1agr n ASN 294 CO 0.00 0.00 0.00 0.42 -2.62 0.00 0.00 177.26 175.06 1agr s THR 295 N -5.21 5.02 0.15 3.41 -4.23 -1.26 -4.51 115.64 109.01 1agr s THR 295 Ca 0.51 0.48 -0.28 0.00 -1.18 0.00 0.00 61.69 61.22 1agr s THR 295 Cb 0.43 -3.66 -0.02 0.00 1.34 0.00 0.00 72.50 70.59 1agr s THR 295 CO -0.27 0.17 1.56 0.22 -0.54 0.00 0.00 174.62 175.76 1agr h TYR 296 N 3.32 -1.40 -0.33 3.99 3.20 -1.93 -1.71 116.97 122.11 1agr h TYR 296 Ca -0.48 0.08 0.04 0.00 3.14 0.00 0.00 58.73 61.51 1agr h TYR 296 Cb 1.18 0.68 -0.04 0.00 1.54 0.00 0.00 36.73 40.09 1agr h TYR 296 CO 0.64 -0.45 0.08 0.93 -1.64 0.00 0.00 178.16 177.72 1agr h GLU 297 N -0.31 0.20 -0.26 1.82 3.07 -1.97 0.38 114.58 117.50 1agr h GLU 297 Ca 0.14 -0.01 -0.13 0.00 -0.50 0.00 0.00 59.36 58.85 1agr h GLU 297 Cb 0.58 -0.04 -0.00 0.00 -0.84 0.00 0.00 28.75 28.44 1agr h GLU 297 CO -0.63 0.13 -0.35 1.49 -1.40 0.00 0.00 179.01 178.25 1agr h GLU 298 N 0.20 0.70 0.21 2.33 4.81 -1.81 -2.68 114.58 118.33 1agr h GLU 298 Ca 0.15 -0.40 -0.01 0.00 -0.13 0.00 0.00 59.36 58.97 1agr h GLU 298 Cb 0.15 0.03 0.00 0.00 0.63 0.00 0.00 28.75 29.57 1agr h GLU 298 CO -0.19 1.02 -0.10 0.00 -0.73 0.00 0.00 179.01 179.01 1agr h ALA 299 N 0.67 -0.28 -1.14 2.92 0.00 -1.12 -1.99 119.26 118.32 1agr h ALA 299 Ca 0.03 -0.19 0.33 0.00 0.00 0.00 0.00 54.91 55.08 1agr h ALA 299 Cb 0.93 0.11 -0.10 0.00 0.00 0.00 0.00 17.79 18.73 1agr h ALA 299 CO 0.08 -0.46 0.74 0.00 0.00 0.00 0.00 179.25 179.61 1agr h ALA 300 N 0.02 2.45 0.01 0.00 0.00 -1.01 0.29 119.26 121.01 1agr h ALA 300 Ca -0.03 0.08 -0.23 0.00 0.00 0.00 0.00 54.91 54.72 1agr h ALA 300 Cb 0.47 0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.36 1agr h ALA 300 CO 0.05 -0.93 -0.97 0.00 0.00 0.00 0.00 179.25 177.40 1agr h ALA 301 N 1.60 0.33 -0.26 0.00 0.00 -1.26 -1.03 119.26 118.65 1agr h ALA 301 Ca 0.67 -0.71 -0.02 0.00 0.00 0.00 0.00 54.91 54.85 1agr h ALA 301 Cb 1.91 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 19.68 1agr h ALA 301 CO -0.33 0.81 0.09 -0.92 0.00 0.00 0.00 179.25 178.90 1agr h TYR 302 N 0.24 0.41 -0.01 0.00 3.20 0.25 -0.80 116.97 120.27 1agr h TYR 302 Ca -0.09 -0.04 0.02 0.00 3.14 0.00 0.00 58.73 61.76 1agr h TYR 302 Cb 1.61 -0.12 -0.02 0.00 1.54 0.00 0.00 36.73 39.74 1agr h TYR 302 CO 0.07 0.44 -0.09 0.82 -1.64 0.00 0.00 178.16 177.76 1agr h ILE 303 N 0.26 0.78 -0.80 1.81 2.04 -0.99 -0.10 117.51 120.50 1agr h ILE 303 Ca 0.08 0.00 0.16 0.00 1.00 0.00 0.00 64.86 66.10 1agr h ILE 303 Cb 0.22 0.78 -0.10 0.00 -0.74 0.00 0.00 36.82 36.98 1agr h ILE 303 CO -0.00 0.00 0.35 -0.61 0.00 0.00 0.00 178.15 177.88 1agr h GLN 304 N -0.14 0.46 -0.40 2.37 4.15 -0.90 -1.57 115.11 119.08 1agr h GLN 304 Ca 0.04 -0.03 -0.05 0.00 0.77 0.00 0.00 58.65 59.37 1agr h GLN 304 Cb 0.19 -0.10 -0.01 0.00 0.21 0.00 0.00 27.48 27.76 1agr h GLN 304 CO -0.09 0.30 0.03 0.00 -1.93 0.00 0.00 178.83 177.15 1agr h GLN 306 N 0.52 0.05 -0.48 0.00 1.08 -0.13 0.03 115.11 116.18 1agr h GLN 306 Ca 0.12 -0.00 -0.05 0.00 -1.45 0.00 0.00 58.65 57.27 1agr h GLN 306 Cb 0.42 -0.01 -0.02 0.00 -0.05 0.00 0.00 27.48 27.82 1agr h GLN 306 CO 0.01 0.03 0.12 0.74 -0.95 0.00 0.00 178.83 178.78 1agr h PHE 307 N 0.05 0.81 -0.19 2.96 -1.00 -1.18 -3.26 116.94 115.13 1agr h PHE 307 Ca 0.15 -0.10 -0.13 0.00 2.81 0.00 0.00 57.97 60.70 1agr h PHE 307 Cb 0.22 -0.23 -0.01 0.00 3.61 0.00 0.00 35.95 39.54 1agr h PHE 307 CO -0.26 0.73 -0.45 0.93 -1.61 0.00 0.00 178.31 177.66 1agr h GLU 308 N 0.66 0.48 -0.01 1.51 5.08 -0.71 -2.18 114.58 119.41 1agr h GLU 308 Ca 0.15 -0.26 0.00 0.00 -1.00 0.00 0.00 59.36 58.26 1agr h GLU 308 Cb 0.33 0.01 -0.00 0.00 0.50 0.00 0.00 28.75 29.59 1agr h GLU 308 CO 0.00 0.83 0.13 -0.44 -1.00 0.00 0.00 179.01 178.53 1agr h ASP 309 N 0.39 0.00 0.27 1.42 3.32 -1.04 -0.84 116.42 119.94 1agr h ASP 309 Ca 0.03 0.00 -0.03 0.00 0.02 0.00 0.00 57.03 57.04 1agr h ASP 309 Cb 0.94 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 40.49 1agr h ASP 309 CO 0.08 0.00 -0.16 -0.07 -1.72 0.00 0.00 179.24 177.38 1agr h LEU 310 N 0.00 0.00 -9.18 1.55 3.38 -1.47 -3.42 115.31 106.17 1agr h LEU 310 Ca 0.01 0.00 -0.56 0.00 0.09 0.00 0.00 57.88 57.42 1agr h LEU 310 Cb 0.26 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.02 1agr h LEU 310 CO -0.00 0.16 1.30 0.21 0.09 0.00 0.00 178.44 180.19 1agr s ASN 311 N -6.55 6.12 0.00 -0.43 2.47 -0.32 -4.84 114.94 111.38 1agr s ASN 311 Ca -0.03 2.24 0.25 0.00 0.42 0.00 0.00 52.86 55.73 1agr s ASN 311 Cb 0.14 -2.52 0.96 0.00 -1.45 0.00 0.00 41.25 38.38 1agr s ASN 311 CO 0.64 -1.38 1.68 0.29 -3.72 0.00 0.00 177.10 174.61 1agr n LYS 312 N 7.94 1.65 -3.20 0.43 5.02 -1.26 -4.15 118.16 124.59 1agr n LYS 312 Ca 0.23 -0.96 -0.23 0.00 -2.02 0.00 0.00 58.31 55.33 1agr n LYS 312 Cb 0.43 -1.44 -0.06 0.00 -0.02 0.00 0.00 35.03 33.94 1agr n LYS 312 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 1agr n ARG 313 N 0.16 1.19 0.19 1.97 1.74 -1.26 -4.93 116.66 115.72 1agr n ARG 313 Ca 0.18 -3.57 0.04 0.00 -0.77 0.00 0.00 57.85 53.73 1agr n ARG 313 Cb 0.33 -1.55 0.38 0.00 -1.02 0.00 0.00 32.46 30.60 1agr n ARG 313 CO 0.00 0.00 0.00 0.87 -1.52 0.00 0.00 177.63 176.98 1agr h LYS 314 N 3.70 0.00 -0.11 5.56 1.57 -1.75 1.01 116.57 126.55 1agr h LYS 314 Ca 0.10 0.00 -0.11 0.00 -1.87 0.00 0.00 60.65 58.77 1agr h LYS 314 Cb 0.85 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.15 1agr h LYS 314 CO 0.55 0.37 -0.43 -0.44 -0.57 0.00 0.00 179.45 178.92 1agr h ASP 315 N 0.00 0.27 0.00 0.86 3.32 -1.95 -3.34 116.42 115.58 1agr h ASP 315 Ca -0.00 -0.12 -0.31 0.00 0.02 0.00 0.00 57.03 56.62 1agr h ASP 315 Cb 0.73 -0.08 -0.06 0.00 0.22 0.00 0.00 39.33 40.15 1agr h ASP 315 CO 0.05 0.67 -2.17 0.41 -1.72 0.00 0.00 179.24 176.48 1agr n THR 316 N -4.01 1.18 -4.36 0.35 -1.04 -1.07 -5.02 114.28 100.31 1agr n THR 316 Ca -0.02 -0.52 -0.34 0.00 -2.04 0.00 0.00 64.05 61.13 1agr n THR 316 Cb 0.49 -1.05 -0.11 0.00 -1.82 0.00 0.00 70.33 67.84 1agr n THR 316 CO 0.00 0.00 0.00 -0.75 -0.64 0.00 0.00 175.07 173.68 1agr s LYS 317 N -2.41 3.51 -0.13 -2.82 2.47 0.35 -5.10 119.74 115.61 1agr s LYS 317 Ca -0.22 -0.48 0.02 0.00 -1.56 0.00 0.00 55.97 53.73 1agr s LYS 317 Cb 0.07 -2.91 0.01 0.00 -1.46 0.00 0.00 37.83 33.54 1agr s LYS 317 CO 0.54 0.37 -0.19 -2.00 0.16 0.00 0.00 175.35 174.23 1agr s GLU 318 N 0.03 2.67 0.16 4.03 2.12 -1.26 -4.31 118.70 122.13 1agr s GLU 318 Ca 0.01 -0.72 -0.24 0.00 0.36 0.00 0.00 54.97 54.39 1agr s GLU 318 Cb -0.13 -2.22 -0.08 0.00 0.26 0.00 0.00 34.13 31.96 1agr s GLU 318 CO 0.02 -0.06 0.74 0.42 -0.54 0.00 0.00 175.26 175.84 1agr s ILE 319 N 0.97 4.45 -0.92 -3.70 1.01 -1.26 -4.45 121.20 117.29 1agr s ILE 319 Ca -0.05 1.58 -0.02 0.00 0.00 0.00 0.00 60.65 62.16 1agr s ILE 319 Cb -0.15 -4.07 0.24 0.00 0.01 0.00 0.00 42.46 38.50 1agr s ILE 319 CO -0.03 0.49 0.89 -1.22 0.00 0.00 0.00 174.94 175.07 1agr n TYR 320 N 1.50 4.07 -2.01 3.97 4.01 -0.42 -4.94 117.16 123.34 1agr n TYR 320 Ca -0.06 -3.95 -0.35 0.00 -0.16 0.00 0.00 57.90 53.38 1agr n TYR 320 Cb 0.49 -1.15 0.03 0.00 -0.31 0.00 0.00 39.34 38.40 1agr n TYR 320 CO 0.00 0.00 0.00 0.99 -0.46 0.00 0.00 176.86 177.39 1agr s THR 321 N -1.64 2.75 0.10 -0.72 2.01 -1.26 -2.07 115.64 114.81 1agr s THR 321 Ca 0.30 0.46 -0.12 0.00 0.31 0.00 0.00 61.69 62.63 1agr s THR 321 Cb -0.04 -3.15 0.02 0.00 0.01 0.00 0.00 72.50 69.33 1agr s THR 321 CO -0.09 -0.12 0.29 -1.00 -0.69 0.00 0.00 174.62 173.02 1agr s HIS 322 N -1.70 -0.03 -0.51 4.92 3.76 0.21 -4.86 115.29 117.09 1agr s HIS 322 Ca 0.76 -0.31 0.02 0.00 -0.15 0.00 0.00 55.06 55.38 1agr s HIS 322 Cb -0.28 0.09 0.13 0.00 1.11 0.00 0.00 32.58 33.63 1agr s HIS 322 CO 0.33 -0.60 0.27 -0.06 -0.85 0.00 0.00 174.74 173.83 1agr s PHE 323 N -3.64 3.33 0.34 1.40 0.40 -1.26 -1.16 117.98 117.38 1agr s PHE 323 Ca 0.03 -3.02 0.03 0.00 -0.60 0.00 0.00 56.93 53.37 1agr s PHE 323 Cb 0.03 -2.94 -0.02 0.00 0.51 0.00 0.00 43.02 40.60 1agr s PHE 323 CO -0.10 -0.80 0.51 0.95 0.70 0.00 0.00 175.22 176.47 1agr s THR 324 N -0.02 4.62 -0.34 0.64 -4.23 -0.84 -4.95 115.64 110.52 1agr s THR 324 Ca 0.16 -0.75 0.01 0.00 -1.18 0.00 0.00 61.69 59.93 1agr s THR 324 Cb -0.24 -3.65 0.11 0.00 1.34 0.00 0.00 72.50 70.06 1agr s THR 324 CO -0.02 -0.34 0.12 0.00 -0.54 0.00 0.00 174.62 173.84 1agr h ALA 326 N 7.70 1.12 0.00 0.00 0.00 -1.96 0.16 119.26 126.30 1agr h ALA 326 Ca -0.09 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.79 1agr h ALA 326 Cb 1.00 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.78 1agr h ALA 326 CO 0.48 0.04 0.00 0.25 0.00 0.00 0.00 179.25 180.02 1agr n THR 327 N -3.30 0.40 -3.09 0.00 -2.24 -1.26 -4.49 114.28 100.30 1agr n THR 327 Ca -0.02 -0.16 -0.43 0.00 -2.27 0.00 0.00 64.05 61.18 1agr n THR 327 Cb 0.16 -0.58 -0.07 0.00 -2.10 0.00 0.00 70.33 67.75 1agr n THR 327 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1agr s ASP 328 N -3.95 6.36 0.16 3.42 -1.08 0.58 -4.96 116.67 117.20 1agr s ASP 328 Ca 0.12 -0.21 -0.13 0.00 -0.52 0.00 0.00 52.55 51.81 1agr s ASP 328 Cb 0.14 -2.33 0.06 0.00 -1.46 0.00 0.00 42.92 39.33 1agr s ASP 328 CO 0.56 -0.76 1.72 0.74 0.52 0.00 0.00 175.17 177.95 1agr h THR 329 N 5.85 1.22 -0.21 1.71 2.02 -1.83 -1.36 112.91 120.31 1agr h THR 329 Ca -0.26 -0.69 -0.01 0.00 0.77 0.00 0.00 66.41 66.22 1agr h THR 329 Cb 1.10 0.65 -0.01 0.00 -1.74 0.00 0.00 68.15 68.15 1agr h THR 329 CO 0.89 0.27 0.10 0.11 0.37 0.00 0.00 175.52 177.26 1agr h LYS 330 N 0.75 0.31 -0.79 6.66 1.57 -1.94 0.51 116.57 123.64 1agr h LYS 330 Ca 0.18 -0.05 0.03 0.00 -1.87 0.00 0.00 60.65 58.95 1agr h LYS 330 Cb 0.21 -0.06 -0.05 0.00 0.08 0.00 0.00 32.23 32.41 1agr h LYS 330 CO -0.01 0.33 0.51 -0.97 -0.57 0.00 0.00 179.45 178.74 1agr h ASN 331 N 0.21 0.84 -0.12 0.86 -0.73 -1.83 0.03 115.58 114.84 1agr h ASN 331 Ca 0.07 -0.01 -0.12 0.00 1.87 0.00 0.00 56.30 58.11 1agr h ASN 331 Cb 0.13 -0.19 0.00 0.00 0.27 0.00 0.00 38.32 38.53 1agr h ASN 331 CO -0.01 0.58 -0.41 0.58 -0.37 0.00 0.00 177.43 177.80 1agr h VAL 332 N 0.99 1.37 -0.01 2.57 2.07 -0.67 0.11 116.25 122.69 1agr h VAL 332 Ca 0.31 -1.73 0.03 0.00 0.82 0.00 0.00 66.70 66.14 1agr h VAL 332 Cb -0.00 2.14 -0.04 0.00 -1.52 0.00 0.00 31.29 31.86 1agr h VAL 332 CO -0.11 0.52 -0.22 -0.61 0.02 0.00 0.00 177.57 177.17 1agr h GLN 333 N 0.08 -0.33 0.18 1.57 4.15 0.22 0.25 115.11 121.23 1agr h GLN 333 Ca -0.02 0.02 0.01 0.00 0.77 0.00 0.00 58.65 59.43 1agr h GLN 333 Cb 1.04 0.08 -0.04 0.00 0.21 0.00 0.00 27.48 28.77 1agr h GLN 333 CO 0.09 -0.22 -0.52 0.35 -1.93 0.00 0.00 178.83 176.59 1agr h PHE 334 N -0.35 -1.51 -0.02 3.99 3.57 -0.86 -1.73 116.94 120.04 1agr h PHE 334 Ca 0.06 0.04 0.01 0.00 3.53 0.00 0.00 57.97 61.60 1agr h PHE 334 Cb 0.43 0.63 -0.00 0.00 2.79 0.00 0.00 35.95 39.80 1agr h PHE 334 CO -0.27 -0.60 0.02 0.28 -2.23 0.00 0.00 178.31 175.51 1agr h VAL 335 N -0.79 0.48 0.03 1.41 2.07 -0.44 -2.60 116.25 116.42 1agr h VAL 335 Ca -0.02 0.00 -0.23 0.00 0.82 0.00 0.00 66.70 67.28 1agr h VAL 335 Cb 0.77 0.98 0.02 0.00 -1.52 0.00 0.00 31.29 31.54 1agr h VAL 335 CO -0.25 0.00 -0.92 0.15 0.02 0.00 0.00 177.57 176.57 1agr h PHE 336 N 0.00 0.86 -0.60 1.57 3.57 0.38 -1.20 116.94 121.53 1agr h PHE 336 Ca 0.01 -0.49 0.12 0.00 3.53 0.00 0.00 57.97 61.13 1agr h PHE 336 Cb 0.06 -0.09 -0.09 0.00 2.79 0.00 0.00 35.95 38.62 1agr h PHE 336 CO 0.00 1.33 0.09 -0.44 -2.23 0.00 0.00 178.31 177.06 1agr h ASP 337 N 0.16 -0.08 -1.00 0.41 3.32 -1.05 0.44 116.42 118.62 1agr h ASP 337 Ca -0.12 0.12 0.02 0.00 0.02 0.00 0.00 57.03 57.07 1agr h ASP 337 Cb 1.60 0.19 -0.05 0.00 0.22 0.00 0.00 39.33 41.29 1agr h ASP 337 CO 0.18 -0.03 0.66 0.00 -1.72 0.00 0.00 179.24 178.33 1agr h ALA 338 N 1.50 1.31 0.25 3.45 0.00 -1.42 -0.45 119.26 123.90 1agr h ALA 338 Ca 0.32 -0.06 -0.01 0.00 0.00 0.00 0.00 54.91 55.15 1agr h ALA 338 Cb 0.49 -0.39 0.00 0.00 0.00 0.00 0.00 17.79 17.89 1agr h ALA 338 CO -0.44 0.63 -0.12 0.28 0.00 0.00 0.00 179.25 179.61 1agr h VAL 339 N 1.33 0.69 -0.98 0.00 2.07 0.10 -3.04 116.25 116.42 1agr h VAL 339 Ca 0.37 -0.86 0.13 0.00 0.82 0.00 0.00 66.70 67.16 1agr h VAL 339 Cb -0.12 1.09 -0.09 0.00 -1.52 0.00 0.00 31.29 30.66 1agr h VAL 339 CO -0.09 0.15 0.60 0.71 0.02 0.00 0.00 177.57 178.96 1agr h THR 340 N -0.86 0.86 -0.12 2.57 1.35 -0.06 -2.03 112.91 114.63 1agr h THR 340 Ca -0.03 -0.31 0.05 0.00 -0.55 0.00 0.00 66.41 65.56 1agr h THR 340 Cb 0.51 -0.12 -0.06 0.00 -1.73 0.00 0.00 68.15 66.75 1agr h THR 340 CO 0.06 0.16 -0.25 0.44 -0.25 0.00 0.00 175.52 175.68 1agr h ASP 341 N 0.90 -0.77 -0.75 5.36 3.32 -1.05 0.19 116.42 123.62 1agr h ASP 341 Ca 0.50 0.12 0.11 0.00 0.02 0.00 0.00 57.03 57.79 1agr h ASP 341 Cb 0.58 0.34 -0.05 0.00 0.22 0.00 0.00 39.33 40.41 1agr h ASP 341 CO -0.30 -0.30 0.50 0.58 -1.72 0.00 0.00 179.24 178.00 1agr h VAL 342 N -0.32 0.89 0.31 -1.35 2.07 -1.27 -1.56 116.25 115.01 1agr h VAL 342 Ca 0.10 -0.20 -0.02 0.00 0.82 0.00 0.00 66.70 67.40 1agr h VAL 342 Cb 0.47 0.25 0.00 0.00 -1.52 0.00 0.00 31.29 30.49 1agr h VAL 342 CO -0.30 0.11 -0.15 0.40 0.02 0.00 0.00 177.57 177.65 1agr h ILE 343 N 0.59 0.62 -0.48 4.57 2.04 -0.18 0.14 117.51 124.80 1agr h ILE 343 Ca 0.36 -0.72 0.07 0.00 1.00 0.00 0.00 64.86 65.57 1agr h ILE 343 Cb 0.59 0.95 -0.10 0.00 -0.74 0.00 0.00 36.82 37.52 1agr h ILE 343 CO -0.13 0.12 -0.46 0.40 0.00 0.00 0.00 178.15 178.09 1agr h ILE 344 N -0.86 0.08 -0.92 -0.67 2.04 -0.88 0.49 117.51 116.80 1agr h ILE 344 Ca -0.04 0.00 0.08 0.00 1.00 0.00 0.00 64.86 65.89 1agr h ILE 344 Cb 0.52 0.08 -0.07 0.00 -0.74 0.00 0.00 36.82 36.61 1agr h ILE 344 CO 0.07 0.00 0.58 0.11 0.00 0.00 0.00 178.15 178.91 1agr h LYS 345 N -0.30 0.99 -0.01 2.37 1.57 -1.27 -1.09 116.57 118.83 1agr h LYS 345 Ca 0.14 -0.06 -0.16 0.00 -1.87 0.00 0.00 60.65 58.70 1agr h LYS 345 Cb 0.58 -0.22 -0.02 0.00 0.08 0.00 0.00 32.23 32.65 1agr h LYS 345 CO -0.63 0.66 -0.73 -0.91 -0.57 0.00 0.00 179.45 177.27 1agr h ASN 346 N 1.02 0.10 0.45 0.86 2.35 0.45 -1.54 115.58 119.27 1agr h ASN 346 Ca 0.41 -0.07 -0.02 0.00 -0.55 0.00 0.00 56.30 56.07 1agr h ASN 346 Cb 0.24 -0.03 0.00 0.00 0.05 0.00 0.00 38.32 38.58 1agr h ASN 346 CO -0.20 0.79 -0.22 0.78 -1.65 0.00 0.00 177.43 176.94 1agr h ASN 347 N 0.05 -0.51 -0.75 5.81 4.21 0.46 -1.86 115.58 122.99 1agr h ASN 347 Ca -0.01 -0.09 0.14 0.00 1.21 0.00 0.00 56.30 57.54 1agr h ASN 347 Cb 1.29 0.13 -0.09 0.00 -1.12 0.00 0.00 38.32 38.52 1agr h ASN 347 CO 0.10 -0.17 0.30 -0.07 -1.29 0.00 0.00 177.43 176.29 1agr h LEU 348 N -0.88 0.27 -0.27 1.61 3.38 -1.21 0.53 115.31 118.74 1agr h LEU 348 Ca -0.06 0.11 0.04 0.00 0.09 0.00 0.00 57.88 58.06 1agr h LEU 348 Cb 0.57 0.09 -0.04 0.00 0.09 0.00 0.00 40.66 41.37 1agr h LEU 348 CO 0.10 0.10 0.02 0.11 0.09 0.00 0.00 178.44 178.87 1agr h LYS 349 N 0.44 0.11 0.10 1.13 1.57 -1.24 0.29 116.57 118.97 1agr h LYS 349 Ca 0.41 -0.01 0.02 0.00 -1.87 0.00 0.00 60.65 59.20 1agr h LYS 349 Cb 0.62 -0.02 -0.05 0.00 0.08 0.00 0.00 32.23 32.85 1agr h LYS 349 CO -0.40 0.07 -0.45 -0.44 -0.57 0.00 0.00 179.45 177.66 1agr h ASP 350 N 0.11 -1.33 0.06 0.86 3.32 0.14 0.11 116.42 119.69 1agr h ASP 350 Ca 0.13 0.15 0.00 0.00 0.02 0.00 0.00 57.03 57.32 1agr h ASP 350 Cb 0.15 0.50 0.00 0.00 0.22 0.00 0.00 39.33 40.20 1agr h ASP 350 CO -0.19 -0.50 0.00 0.00 -1.72 0.00 0.00 179.24 176.82 1agr n GLY 352 N -1.03 -0.06 0.70 0.00 0.00 0.38 -4.93 105.19 100.26 1agr n GLY 352 Ca 0.01 -0.06 0.06 0.00 0.00 0.00 0.00 46.02 46.03 1agr n GLY 352 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1agr n LEU 353 N -3.45 2.44 -0.84 0.99 4.77 0.84 -5.01 117.00 116.73 1agr n LEU 353 Ca -0.02 -3.59 0.11 0.00 -0.03 0.00 0.00 56.01 52.47 1agr n LEU 353 Cb 0.55 -0.45 0.09 0.00 -2.33 0.00 0.00 43.42 41.28 1agr n LEU 353 CO 0.43 1.24 0.58 0.33 -1.33 0.00 0.00 177.39 178.65