#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1agr h SER 6 N 0.00 0.00 0.13 1.96 0.87 -2.03 0.22 113.55 114.70 1agr h SER 6 Ca 0.00 0.00 -0.01 0.00 -1.23 0.00 0.00 61.79 60.55 1agr h SER 6 Cb 0.00 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 61.96 1agr h SER 6 CO 0.00 0.00 -0.06 0.00 -0.53 0.00 0.00 176.83 176.24 1agr h ALA 7 N 1.84 -0.18 -0.62 6.23 0.00 -2.04 1.00 119.26 125.51 1agr h ALA 7 Ca 0.10 -0.15 -0.02 0.00 0.00 0.00 0.00 54.91 54.84 1agr h ALA 7 Cb 0.46 0.07 -0.03 0.00 0.00 0.00 0.00 17.79 18.29 1agr h ALA 7 CO -0.00 -0.46 0.32 1.49 0.00 0.00 0.00 179.25 180.60 1agr h GLU 8 N -0.45 0.87 0.00 0.00 4.81 -1.56 0.23 114.58 118.48 1agr h GLU 8 Ca -0.02 -0.11 -0.14 0.00 -0.13 0.00 0.00 59.36 58.96 1agr h GLU 8 Cb 0.36 -0.16 -0.02 0.00 0.63 0.00 0.00 28.75 29.56 1agr h GLU 8 CO 0.03 0.68 -0.66 0.22 -0.73 0.00 0.00 179.01 178.55 1agr h ASP 9 N 0.84 0.00 0.60 1.04 3.58 -0.65 0.06 116.42 121.89 1agr h ASP 9 Ca 0.21 0.00 -0.18 0.00 0.42 0.00 0.00 57.03 57.48 1agr h ASP 9 Cb 0.07 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 41.11 1agr h ASP 9 CO -0.03 0.66 -0.82 0.50 -2.88 0.00 0.00 179.24 176.66 1agr h LYS 10 N 0.00 0.16 0.72 0.28 3.64 0.12 0.27 116.57 121.77 1agr h LYS 10 Ca -0.01 -0.16 -0.04 0.00 -1.27 0.00 0.00 60.65 59.18 1agr h LYS 10 Cb 1.47 0.04 0.01 0.00 -0.41 0.00 0.00 32.23 33.34 1agr h LYS 10 CO 0.09 0.89 -0.35 0.00 -2.27 0.00 0.00 179.45 177.81 1agr h ALA 11 N 1.05 -0.97 -0.70 5.00 0.00 -0.32 0.25 119.26 123.58 1agr h ALA 11 Ca -0.03 -0.22 0.13 0.00 0.00 0.00 0.00 54.91 54.78 1agr h ALA 11 Cb 1.43 0.37 -0.09 0.00 0.00 0.00 0.00 17.79 19.50 1agr h ALA 11 CO 0.12 -1.01 0.25 0.00 0.00 0.00 0.00 179.25 178.62 1agr h ALA 12 N -0.80 0.94 -0.33 0.00 0.00 -0.90 0.13 119.26 118.30 1agr h ALA 12 Ca -0.10 0.11 -0.09 0.00 0.00 0.00 0.00 54.91 54.83 1agr h ALA 12 Cb 0.76 0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.63 1agr h ALA 12 CO 0.16 -0.22 -0.19 0.28 0.00 0.00 0.00 179.25 179.28 1agr h VAL 13 N 0.41 1.26 -0.03 0.00 2.07 -0.87 -2.55 116.25 116.54 1agr h VAL 13 Ca 0.37 -1.22 -0.18 0.00 0.82 0.00 0.00 66.70 66.49 1agr h VAL 13 Cb 0.54 1.22 -0.01 0.00 -1.52 0.00 0.00 31.29 31.52 1agr h VAL 13 CO -0.38 0.40 -0.79 -0.33 0.02 0.00 0.00 177.57 176.49 1agr h GLU 14 N 0.55 0.25 0.88 1.57 4.39 0.66 -2.78 114.58 120.10 1agr h GLU 14 Ca 0.09 -0.24 -0.04 0.00 0.34 0.00 0.00 59.36 59.51 1agr h GLU 14 Cb 0.63 0.06 0.01 0.00 -0.10 0.00 0.00 28.75 29.35 1agr h GLU 14 CO 0.04 0.92 -0.42 -0.09 -1.16 0.00 0.00 179.01 178.30 1agr h ARG 15 N 0.16 -1.14 -0.87 2.33 9.65 -0.57 -2.59 114.38 121.35 1agr h ARG 15 Ca -0.03 0.08 0.23 0.00 -1.10 0.00 0.00 59.98 59.15 1agr h ARG 15 Cb 1.37 0.26 -0.14 0.00 -1.39 0.00 0.00 29.97 30.07 1agr h ARG 15 CO 0.12 -0.76 0.24 1.03 2.80 0.00 0.00 179.97 183.40 1agr h SER 16 N -1.30 0.01 -0.68 -3.80 0.87 -1.53 0.65 113.55 107.77 1agr h SER 16 Ca -0.12 0.19 0.09 0.00 -1.23 0.00 0.00 61.79 60.72 1agr h SER 16 Cb 0.90 0.26 -0.07 0.00 -0.44 0.00 0.00 62.40 63.06 1agr h SER 16 CO 0.20 -0.15 0.33 0.11 -0.53 0.00 0.00 176.83 176.79 1agr h LYS 17 N 0.21 0.56 0.02 2.24 1.57 -1.39 -0.98 116.57 118.80 1agr h LYS 17 Ca 0.55 -0.03 -0.00 0.00 -1.87 0.00 0.00 60.65 59.29 1agr h LYS 17 Cb 1.10 -0.13 0.00 0.00 0.08 0.00 0.00 32.23 33.28 1agr h LYS 17 CO -0.65 0.37 -0.01 1.98 -0.57 0.00 0.00 179.45 180.57 1agr h MET 18 N 0.57 -0.02 -0.00 3.15 4.05 0.59 0.82 114.93 124.09 1agr h MET 18 Ca 0.33 0.00 0.02 0.00 -0.28 0.00 0.00 59.70 59.77 1agr h MET 18 Cb 0.34 0.01 -0.06 0.00 -0.80 0.00 0.00 31.60 31.09 1agr h MET 18 CO -0.26 0.24 -0.52 0.82 0.23 0.00 0.00 176.91 177.42 1agr h ILE 19 N -0.28 0.02 -0.26 1.77 2.04 -0.62 -0.48 117.51 119.70 1agr h ILE 19 Ca -0.00 0.00 0.06 0.00 1.00 0.00 0.00 64.86 65.92 1agr h ILE 19 Cb 0.27 0.02 -0.07 0.00 -0.74 0.00 0.00 36.82 36.30 1agr h ILE 19 CO 0.00 0.00 -0.22 -0.78 0.00 0.00 0.00 178.15 177.15 1agr h ASP 20 N -0.66 -0.73 -0.82 1.72 1.82 -1.05 0.98 116.42 117.68 1agr h ASP 20 Ca 0.02 0.14 0.13 0.00 -0.39 0.00 0.00 57.03 56.92 1agr h ASP 20 Cb 0.72 0.35 -0.06 0.00 0.68 0.00 0.00 39.33 41.02 1agr h ASP 20 CO -0.36 -0.26 0.53 -0.09 -1.61 0.00 0.00 179.24 177.46 1agr h ARG 21 N -0.22 0.61 0.00 0.28 2.43 -0.31 -2.45 114.38 114.72 1agr h ARG 21 Ca 0.14 -0.04 -0.00 0.00 -0.81 0.00 0.00 59.98 59.28 1agr h ARG 21 Cb 0.44 -0.14 0.00 0.00 -0.42 0.00 0.00 29.97 29.85 1agr h ARG 21 CO -0.39 0.40 -0.00 -0.91 -1.51 0.00 0.00 179.97 177.56 1agr h ASN 22 N 0.63 -0.00 -1.04 -3.80 -0.26 0.69 -1.85 115.58 109.94 1agr h ASN 22 Ca 0.40 -0.47 0.39 0.00 -0.56 0.00 0.00 56.30 56.05 1agr h ASN 22 Cb 0.66 0.00 -0.16 0.00 -1.06 0.00 0.00 38.32 37.75 1agr h ASN 22 CO -0.16 0.73 0.58 -0.07 -1.06 0.00 0.00 177.43 177.45 1agr h LEU 23 N -1.00 0.37 0.01 1.61 4.07 -0.78 0.17 115.31 119.77 1agr h LEU 23 Ca -0.00 0.23 -0.06 0.00 0.08 0.00 0.00 57.88 58.12 1agr h LEU 23 Cb 0.48 0.21 0.01 0.00 1.08 0.00 0.00 40.66 42.44 1agr h LEU 23 CO 0.00 -0.32 -0.26 -0.09 -1.08 0.00 0.00 178.44 176.70 1agr h ARG 24 N 0.11 0.15 -0.78 1.13 2.43 -1.47 -2.17 114.38 113.78 1agr h ARG 24 Ca 0.81 -0.18 -0.01 0.00 -0.81 0.00 0.00 59.98 59.79 1agr h ARG 24 Cb 2.11 0.05 -0.04 0.00 -0.42 0.00 0.00 29.97 31.67 1agr h ARG 24 CO -0.68 0.95 0.44 0.93 -1.51 0.00 0.00 179.97 180.10 1agr h GLU 25 N -0.57 1.08 0.43 0.20 5.08 -0.27 0.21 114.58 120.74 1agr h GLU 25 Ca -0.04 -0.12 -0.02 0.00 -1.00 0.00 0.00 59.36 58.19 1agr h GLU 25 Cb 1.05 -0.22 0.00 0.00 0.50 0.00 0.00 28.75 30.09 1agr h GLU 25 CO 0.05 0.79 -0.21 -0.44 -1.00 0.00 0.00 179.01 178.20 1agr h ASP 26 N 1.08 -0.49 -0.98 1.42 3.32 -0.81 -1.86 116.42 118.10 1agr h ASP 26 Ca 0.28 0.02 0.29 0.00 0.02 0.00 0.00 57.03 57.63 1agr h ASP 26 Cb 0.01 0.13 -0.14 0.00 0.22 0.00 0.00 39.33 39.55 1agr h ASP 26 CO -0.05 -0.34 0.52 1.23 -1.72 0.00 0.00 179.24 178.88 1agr h GLY 27 N -0.59 1.91 1.05 2.75 0.00 -1.26 0.31 103.07 107.23 1agr h GLY 27 Ca -0.06 -0.22 -0.05 0.00 0.00 0.00 0.00 47.33 47.00 1agr h GLY 27 CO 0.10 -0.41 0.30 -2.09 0.00 0.00 0.00 176.54 174.43 1agr h GLU 28 N 0.37 1.17 0.02 4.80 4.57 -0.48 -1.79 114.58 123.23 1agr h GLU 28 Ca 0.68 -0.22 -0.00 0.00 -1.18 0.00 0.00 59.36 58.64 1agr h GLU 28 Cb 1.47 -0.19 0.00 0.00 -0.16 0.00 0.00 28.75 29.87 1agr h GLU 28 CO -0.58 0.96 -0.01 0.87 -1.18 0.00 0.00 179.01 179.07 1agr h LYS 29 N 1.13 -0.02 -0.75 1.92 1.57 0.42 -3.15 116.57 117.69 1agr h LYS 29 Ca 0.26 0.00 0.14 0.00 -1.87 0.00 0.00 60.65 59.18 1agr h LYS 29 Cb 0.24 0.00 -0.14 0.00 0.08 0.00 0.00 32.23 32.41 1agr h LYS 29 CO -0.02 0.50 -0.29 0.00 -0.57 0.00 0.00 179.45 179.07 1agr h ALA 30 N 0.42 0.22 -0.23 3.86 0.00 -1.12 -0.12 119.26 122.29 1agr h ALA 30 Ca -0.00 0.25 0.07 0.00 0.00 0.00 0.00 54.91 55.22 1agr h ALA 30 Cb 0.53 0.76 -0.01 0.00 0.00 0.00 0.00 17.79 19.07 1agr h ALA 30 CO 0.00 -0.56 0.17 0.00 0.00 0.00 0.00 179.25 178.87 1agr h ALA 31 N 1.39 2.15 -0.01 0.00 0.00 -1.30 0.34 119.26 121.84 1agr h ALA 31 Ca 0.32 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.22 1agr h ALA 31 Cb 0.57 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.38 1agr h ALA 31 CO -0.80 -0.29 -0.02 0.54 0.00 0.00 0.00 179.25 178.68 1agr n ARG 32 N -4.35 1.15 -3.43 0.00 5.12 -0.07 -4.67 116.66 110.42 1agr n ARG 32 Ca 0.03 -0.34 -0.41 0.00 -1.93 0.00 0.00 57.85 55.19 1agr n ARG 32 Cb 0.32 -1.49 -0.10 0.00 -1.16 0.00 0.00 32.46 30.03 1agr n ARG 32 CO 0.00 0.00 0.00 -1.21 -1.93 0.00 0.00 177.63 174.49 1agr s GLU 33 N -2.08 3.42 -0.20 5.56 0.41 0.12 0.16 118.70 126.09 1agr s GLU 33 Ca 0.41 -0.58 0.01 0.00 -0.41 0.00 0.00 54.97 54.40 1agr s GLU 33 Cb 0.21 -3.84 0.04 0.00 -1.78 0.00 0.00 34.13 28.76 1agr s GLU 33 CO 0.38 -0.57 -0.09 0.08 -0.49 0.00 0.00 175.26 174.57 1agr s VAL 34 N 1.92 1.58 -0.43 2.63 1.01 -0.13 -4.92 120.40 122.05 1agr s VAL 34 Ca 0.10 -1.00 -0.21 0.00 0.00 0.00 0.00 61.98 60.86 1agr s VAL 34 Cb -0.17 -1.69 0.02 0.00 0.00 0.00 0.00 36.38 34.55 1agr s VAL 34 CO 0.11 0.13 0.68 -0.75 0.00 0.00 0.00 175.10 175.27 1agr s LYS 35 N 1.42 3.36 -0.16 2.72 2.20 -1.26 -0.74 119.74 127.28 1agr s LYS 35 Ca -0.02 -0.25 -0.02 0.00 -0.36 0.00 0.00 55.97 55.32 1agr s LYS 35 Cb -0.16 -3.93 -0.02 0.00 -1.51 0.00 0.00 37.83 32.21 1agr s LYS 35 CO -0.08 -1.00 -0.07 -1.17 -0.36 0.00 0.00 175.35 172.66 1agr s LEU 36 N 2.92 2.95 -0.24 5.43 2.96 0.34 -0.91 118.68 132.13 1agr s LEU 36 Ca 0.25 -0.28 -0.08 0.00 -0.22 0.00 0.00 54.13 53.80 1agr s LEU 36 Cb -0.14 -1.70 -0.04 0.00 0.50 0.00 0.00 46.19 44.81 1agr s LEU 36 CO 0.19 0.12 0.10 -0.76 -1.32 0.00 0.00 176.35 174.68 1agr s LEU 37 N 0.66 3.72 -0.33 -0.68 1.43 -0.36 -0.37 118.68 122.74 1agr s LEU 37 Ca -0.04 -0.06 -0.22 0.00 -1.03 0.00 0.00 54.13 52.78 1agr s LEU 37 Cb -0.15 -1.99 0.00 0.00 0.03 0.00 0.00 46.19 44.08 1agr s LEU 37 CO 0.02 0.03 0.73 -0.76 0.23 0.00 0.00 176.35 176.61 1agr s LEU 38 N 1.24 4.14 0.00 1.79 1.43 -0.80 -1.31 118.68 125.17 1agr s LEU 38 Ca 0.05 0.43 0.00 0.00 -1.03 0.00 0.00 54.13 53.59 1agr s LEU 38 Cb -0.14 -2.97 0.00 0.00 0.03 0.00 0.00 46.19 43.11 1agr s LEU 38 CO 0.04 -0.63 0.00 0.18 0.23 0.00 0.00 176.35 176.17 1agr n LEU 39 N 6.20 0.00 0.00 1.79 4.77 -0.49 -3.82 117.00 125.46 1agr n LEU 39 Ca 0.02 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.00 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 0.50 -0.04 0.00 0.61 -1.33 0.00 0.00 177.39 177.13 1agr n GLY 40 N 5.00 2.75 3.10 -0.72 0.00 -1.26 -2.94 105.19 111.11 1agr n GLY 40 Ca 0.00 -1.72 -0.26 0.00 0.00 0.00 0.00 46.02 44.05 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 0.68 -2.54 -1.91 4.61 0.00 -1.26 -4.38 120.51 115.71 1agr n ALA 41 Ca 0.00 -1.14 -0.33 0.00 0.00 0.00 0.00 53.44 51.96 1agr n ALA 41 Cb 0.00 -1.05 -0.07 0.00 0.00 0.00 0.00 19.45 18.33 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 -1.73 2.41 -0.80 0.00 0.00 -1.22 -3.42 107.32 102.56 1agr s GLY 42 Ca 0.42 0.30 0.00 0.00 0.00 0.00 0.00 44.72 45.44 1agr s GLY 42 CO 0.49 0.58 0.00 1.18 0.00 0.00 0.00 173.10 175.35 1agr n GLU 43 N -0.43 -0.89 0.02 2.90 1.02 -1.26 -4.92 120.64 117.08 1agr n GLU 43 Ca 0.05 0.69 -0.14 0.00 -0.02 0.00 0.00 57.16 57.74 1agr n GLU 43 Cb 0.53 -4.61 -0.03 0.00 -0.02 0.00 0.00 31.44 27.31 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 0.70 0.00 1.62 4.64 -1.89 -3.46 113.55 115.15 1agr h SER 44 Ca -0.15 -0.48 0.00 0.00 -0.47 0.00 0.00 61.79 60.69 1agr h SER 44 Cb 0.68 -0.21 0.00 0.00 -0.31 0.00 0.00 62.40 62.56 1agr h SER 44 CO 0.23 1.25 0.00 0.61 -0.87 0.00 0.00 176.83 178.05 1agr n GLY 45 N 0.70 0.52 0.32 -0.77 0.00 -1.26 -4.29 105.19 100.41 1agr n GLY 45 Ca -0.06 0.00 0.15 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 0.07 0.00 1.61 1.57 -1.92 0.57 116.57 118.48 1agr h LYS 46 Ca 0.00 -0.00 -0.14 0.00 -1.87 0.00 0.00 60.65 58.63 1agr h LYS 46 Cb 0.00 -0.02 -0.02 0.00 0.08 0.00 0.00 32.23 32.27 1agr h LYS 46 CO 0.00 0.05 -0.67 0.77 -0.57 0.00 0.00 179.45 179.03 1agr h SER 47 N 0.08 0.00 -0.21 0.86 0.02 -1.96 -2.64 113.55 109.69 1agr h SER 47 Ca 0.60 0.00 -0.06 0.00 -0.84 0.00 0.00 61.79 61.49 1agr h SER 47 Cb 1.28 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.81 1agr h SER 47 CO -0.81 0.67 -0.12 0.74 -1.14 0.00 0.00 176.83 176.18 1agr h THR 48 N 0.00 1.31 -0.21 -2.27 2.02 -0.27 -0.78 112.91 112.71 1agr h THR 48 Ca -0.01 -1.20 0.05 0.00 0.77 0.00 0.00 66.41 66.03 1agr h THR 48 Cb 1.20 1.65 -0.07 0.00 -1.74 0.00 0.00 68.15 69.19 1agr h THR 48 CO 0.09 0.36 -0.39 0.40 0.37 0.00 0.00 175.52 176.35 1agr h ILE 49 N 0.14 0.17 -0.94 3.11 1.08 -1.25 -0.69 117.51 119.13 1agr h ILE 49 Ca 0.04 0.00 0.19 0.00 -0.39 0.00 0.00 64.86 64.70 1agr h ILE 49 Cb 0.62 0.17 -0.11 0.00 -3.07 0.00 0.00 36.82 34.43 1agr h ILE 49 CO 0.03 0.00 0.53 0.58 -0.69 0.00 0.00 178.15 178.60 1agr h VAL 50 N -0.42 0.65 -0.68 1.67 2.07 -1.23 0.35 116.25 118.67 1agr h VAL 50 Ca 0.10 -0.22 -0.03 0.00 0.82 0.00 0.00 66.70 67.37 1agr h VAL 50 Cb 0.60 -0.05 -0.03 0.00 -1.52 0.00 0.00 31.29 30.29 1agr h VAL 50 CO -0.44 0.12 0.29 0.11 0.02 0.00 0.00 177.57 177.67 1agr h LYS 51 N 0.64 1.00 -0.28 1.57 1.57 -0.45 -2.09 116.57 118.53 1agr h LYS 51 Ca 0.55 -0.17 0.05 0.00 -1.87 0.00 0.00 60.65 59.21 1agr h LYS 51 Cb 0.90 -0.17 -0.05 0.00 0.08 0.00 0.00 32.23 32.99 1agr h LYS 51 CO -0.41 0.82 -0.00 1.96 -0.57 0.00 0.00 179.45 181.25 1agr h GLN 52 N 0.95 0.08 -0.47 3.15 1.08 0.11 0.24 115.11 120.25 1agr h GLN 52 Ca 0.23 -0.00 0.10 0.00 -1.45 0.00 0.00 58.65 57.52 1agr h GLN 52 Cb 0.18 -0.02 -0.02 0.00 -0.05 0.00 0.00 27.48 27.57 1agr h GLN 52 CO -0.02 0.05 0.33 0.52 -0.95 0.00 0.00 178.83 178.76 1agr h MET 53 N 0.08 0.20 -0.04 1.46 2.86 -0.80 0.44 114.93 119.12 1agr h MET 53 Ca 0.14 -0.01 -0.16 0.00 -2.06 0.00 0.00 59.70 57.61 1agr h MET 53 Cb 0.18 -0.04 -0.01 0.00 0.06 0.00 0.00 31.60 31.78 1agr h MET 53 CO -0.23 0.13 -0.68 -0.22 1.06 0.00 0.00 176.91 176.97 1agr h LYS 54 N 0.20 0.20 0.03 1.72 3.11 0.02 -1.47 116.57 120.39 1agr h LYS 54 Ca 0.22 -0.16 -0.05 0.00 -2.81 0.00 0.00 60.65 57.85 1agr h LYS 54 Cb 0.61 0.03 0.01 0.00 -1.00 0.00 0.00 32.23 31.88 1agr h LYS 54 CO -0.04 0.81 -0.23 0.82 -2.81 0.00 0.00 179.45 178.00 1agr h ILE 55 N 0.14 1.68 0.31 2.00 2.04 0.24 -0.92 117.51 122.99 1agr h ILE 55 Ca -0.02 -2.28 -0.02 0.00 1.00 0.00 0.00 64.86 63.55 1agr h ILE 55 Cb 1.22 3.20 0.00 0.00 -0.74 0.00 0.00 36.82 40.50 1agr h ILE 55 CO 0.10 0.61 -0.15 0.40 0.00 0.00 0.00 178.15 179.12 1agr h ILE 56 N -0.75 0.00 0.04 -0.67 2.04 -0.49 -3.13 117.51 114.55 1agr h ILE 56 Ca -0.04 -0.66 -0.13 0.00 1.00 0.00 0.00 64.86 65.03 1agr h ILE 56 Cb 1.13 0.00 -0.01 0.00 -0.74 0.00 0.00 36.82 37.21 1agr h ILE 56 CO 0.04 0.00 -0.68 0.45 0.00 0.00 0.00 178.15 177.97 1agr h HIS 57 N -1.07 0.16 0.00 1.37 3.86 -1.46 -3.44 115.15 114.58 1agr h HIS 57 Ca -0.04 -0.12 0.00 0.00 -1.16 0.00 0.00 60.37 59.05 1agr h HIS 57 Cb 0.32 -0.01 0.00 0.00 1.06 0.00 0.00 27.41 28.78 1agr h HIS 57 CO 0.00 1.26 0.00 0.39 0.86 0.00 0.00 177.93 180.45 1agr n GLU 58 N -4.37 0.00 0.00 2.45 -0.58 -1.08 -4.95 120.64 112.10 1agr n GLU 58 Ca -0.19 0.07 0.00 0.00 -0.42 0.00 0.00 57.16 56.62 1agr n GLU 58 Cb 0.66 -0.76 0.00 0.00 -0.57 0.00 0.00 31.44 30.77 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 -0.71 0.00 0.00 0.62 0.00 -0.85 -5.03 120.51 114.54 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 -1.79 3.36 0.00 0.00 -0.41 -4.88 105.19 101.47 1agr n GLY 60 Ca 0.00 -1.90 -0.36 0.00 0.00 0.00 0.00 46.02 43.75 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 3.06 0.85 1.61 2.02 -1.26 -4.76 117.35 118.87 1agr s TYR 61 Ca 0.00 -0.82 -0.10 0.00 -0.37 0.00 0.00 57.07 55.78 1agr s TYR 61 Cb 0.00 -2.19 0.10 0.00 -0.40 0.00 0.00 41.96 39.47 1agr s TYR 61 CO 0.00 -0.51 1.12 -1.54 -1.57 0.00 0.00 175.55 173.05 1agr s SER 62 N 1.52 3.67 0.37 2.29 1.04 -1.26 -4.81 113.70 116.52 1agr s SER 62 Ca 0.05 2.02 0.06 0.00 0.48 0.00 0.00 55.95 58.56 1agr s SER 62 Cb -0.16 -2.55 0.75 0.00 0.10 0.00 0.00 66.02 64.17 1agr s SER 62 CO 0.01 -2.60 1.99 -0.08 0.98 0.00 0.00 173.24 173.54 1agr h GLU 63 N -1.51 0.70 -0.50 4.02 4.81 -1.98 -0.99 114.58 119.13 1agr h GLU 63 Ca -0.43 -0.04 -0.10 0.00 -0.13 0.00 0.00 59.36 58.66 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 0.46 0.47 -0.08 1.49 -0.73 0.00 0.00 179.01 180.62 1agr h GLU 64 N 0.72 0.91 -0.27 1.92 4.57 -1.99 -2.36 114.58 118.09 1agr h GLU 64 Ca 0.26 -0.31 -0.06 0.00 -1.18 0.00 0.00 59.36 58.07 1agr h GLU 64 Cb 0.12 -0.07 -0.02 0.00 -0.16 0.00 0.00 28.75 28.62 1agr h GLU 64 CO -0.07 0.95 -0.09 0.93 -1.18 0.00 0.00 179.01 179.54 1agr h GLU 65 N 0.82 0.44 -0.02 1.92 5.08 -1.56 -2.50 114.58 118.76 1agr h GLU 65 Ca 0.14 -0.11 -0.14 0.00 -1.00 0.00 0.00 59.36 58.25 1agr h GLU 65 Cb 0.60 -0.05 -0.02 0.00 0.50 0.00 0.00 28.75 29.78 1agr h GLU 65 CO 0.04 0.54 -0.63 0.00 -1.00 0.00 0.00 179.01 177.95 1agr h LYS 67 N 0.05 0.49 0.00 0.00 1.57 -0.98 -1.89 116.57 115.81 1agr h LYS 67 Ca -0.01 -0.07 0.00 0.00 -1.87 0.00 0.00 60.65 58.70 1agr h LYS 67 Cb 1.13 -0.09 0.00 0.00 0.08 0.00 0.00 32.23 33.35 1agr h LYS 67 CO 0.09 0.44 0.04 1.04 -0.57 0.00 0.00 179.45 180.49 1agr n GLN 68 N -4.75 0.00 -0.00 3.15 6.02 -1.13 -0.59 117.38 120.08 1agr n GLN 68 Ca -0.01 0.33 0.08 0.00 -0.01 0.00 0.00 57.00 57.39 1agr n GLN 68 Cb 0.10 -1.54 -0.10 0.00 1.02 0.00 0.00 30.24 29.72 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 -1.32 0.00 -0.29 1.08 4.02 -0.72 -4.47 117.16 115.46 1agr n TYR 69 Ca 0.00 0.00 0.06 0.00 -0.01 0.00 0.00 57.90 57.95 1agr n TYR 69 Cb 0.04 -0.04 0.21 0.00 -0.02 0.00 0.00 39.34 39.54 1agr n TYR 69 CO 0.00 0.00 0.00 -0.22 -1.01 0.00 0.00 176.86 175.63 1agr h LYS 70 N 0.00 0.61 -0.59 -0.72 3.64 -0.80 0.24 116.57 118.95 1agr h LYS 70 Ca 0.00 -0.04 0.04 0.00 -1.27 0.00 0.00 60.65 59.39 1agr h LYS 70 Cb 0.42 -0.14 -0.05 0.00 -0.41 0.00 0.00 32.23 32.06 1agr h LYS 70 CO 0.00 0.40 0.33 0.00 -2.27 0.00 0.00 179.45 177.92 1agr h ALA 71 N 1.54 0.78 -0.14 5.00 0.00 -1.78 -2.13 119.26 122.52 1agr h ALA 71 Ca 0.45 0.01 -0.12 0.00 0.00 0.00 0.00 54.91 55.24 1agr h ALA 71 Cb 0.61 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.26 1agr h ALA 71 CO -0.35 0.02 -0.45 0.28 0.00 0.00 0.00 179.25 178.75 1agr h VAL 72 N 0.64 1.32 0.55 0.00 2.07 -1.02 -0.91 116.25 118.90 1agr h VAL 72 Ca 0.26 -1.63 -0.03 0.00 0.82 0.00 0.00 66.70 66.12 1agr h VAL 72 Cb 0.11 1.71 0.01 0.00 -1.52 0.00 0.00 31.29 31.60 1agr h VAL 72 CO -0.15 0.50 -0.26 0.58 0.02 0.00 0.00 177.57 178.26 1agr h VAL 73 N 0.28 0.44 -0.10 2.57 2.07 -0.19 0.76 116.25 122.08 1agr h VAL 73 Ca 0.02 -0.16 0.02 0.00 0.82 0.00 0.00 66.70 67.40 1agr h VAL 73 Cb 0.91 0.50 -0.02 0.00 -1.52 0.00 0.00 31.29 31.16 1agr h VAL 73 CO 0.08 0.02 -0.01 1.88 0.02 0.00 0.00 177.57 179.56 1agr h TYR 74 N -0.83 -0.03 -0.54 1.57 0.05 -1.34 0.97 116.97 116.82 1agr h TYR 74 Ca -0.07 0.01 0.10 0.00 0.05 0.00 0.00 58.73 58.81 1agr h TYR 74 Cb 0.60 0.03 -0.08 0.00 1.01 0.00 0.00 36.73 38.29 1agr h TYR 74 CO -0.02 -0.03 0.10 1.03 -1.05 0.00 0.00 178.16 178.19 1agr h SER 75 N 0.02 -0.02 -0.65 3.88 0.87 -1.15 0.59 113.55 117.08 1agr h SER 75 Ca 0.05 0.10 -0.02 0.00 -1.23 0.00 0.00 61.79 60.69 1agr h SER 75 Cb 0.06 0.15 -0.03 0.00 -0.44 0.00 0.00 62.40 62.14 1agr h SER 75 CO -0.09 0.01 0.34 0.78 -0.53 0.00 0.00 176.83 177.34 1agr h ASN 76 N 0.23 0.83 0.28 6.23 -0.26 0.21 -0.50 115.58 122.60 1agr h ASN 76 Ca 0.28 -0.11 -0.01 0.00 -0.56 0.00 0.00 56.30 55.89 1agr h ASN 76 Cb 0.39 -0.21 0.00 0.00 -1.06 0.00 0.00 38.32 37.44 1agr h ASN 76 CO -0.37 0.70 -0.13 0.74 -1.06 0.00 0.00 177.43 177.31 1agr h THR 77 N 0.90 0.72 0.01 2.81 2.02 -0.41 -2.60 112.91 116.35 1agr h THR 77 Ca 0.23 -0.67 0.03 0.00 0.77 0.00 0.00 66.41 66.76 1agr h THR 77 Cb 0.07 1.06 -0.04 0.00 -1.74 0.00 0.00 68.15 67.51 1agr h THR 77 CO -0.03 0.13 -0.20 0.40 0.37 0.00 0.00 175.52 176.19 1agr h ILE 78 N -0.76 0.54 -0.63 3.11 2.04 -0.82 -1.59 117.51 119.38 1agr h ILE 78 Ca -0.04 0.00 0.11 0.00 1.00 0.00 0.00 64.86 65.93 1agr h ILE 78 Cb 0.50 0.54 -0.04 0.00 -0.74 0.00 0.00 36.82 37.08 1agr h ILE 78 CO 0.06 0.00 0.43 1.56 0.00 0.00 0.00 178.15 180.20 1agr h GLN 79 N -0.32 0.38 -0.15 2.37 1.08 -1.16 -1.89 115.11 115.42 1agr h GLN 79 Ca 0.06 -0.02 -0.10 0.00 -1.45 0.00 0.00 58.65 57.13 1agr h GLN 79 Cb 0.39 -0.09 0.00 0.00 -0.05 0.00 0.00 27.48 27.73 1agr h GLN 79 CO -0.18 0.25 -0.29 0.77 -0.95 0.00 0.00 178.83 178.43 1agr h SER 80 N 0.40 0.52 -0.07 1.46 0.02 -0.91 0.17 113.55 115.14 1agr h SER 80 Ca 0.30 -0.55 -0.01 0.00 -0.84 0.00 0.00 61.79 60.69 1agr h SER 80 Cb 0.63 -0.15 -0.00 0.00 0.14 0.00 0.00 62.40 63.02 1agr h SER 80 CO -0.08 0.97 -0.00 -0.29 -1.14 0.00 0.00 176.83 176.29 1agr h ILE 81 N 0.09 1.26 -0.89 3.27 6.09 -1.02 -2.27 117.51 124.03 1agr h ILE 81 Ca 0.01 -0.80 0.17 0.00 -1.37 0.00 0.00 64.86 62.87 1agr h ILE 81 Cb 0.88 1.65 -0.10 0.00 0.47 0.00 0.00 36.82 39.72 1agr h ILE 81 CO 0.07 0.22 0.46 0.40 -3.07 0.00 0.00 178.15 176.23 1agr h ILE 82 N -0.17 0.66 -0.76 2.19 2.04 -1.33 0.77 117.51 120.91 1agr h ILE 82 Ca 0.02 -0.21 -0.03 0.00 1.00 0.00 0.00 64.86 65.64 1agr h ILE 82 Cb 0.35 0.01 -0.03 0.00 -0.74 0.00 0.00 36.82 36.41 1agr h ILE 82 CO 0.00 0.11 0.36 0.00 0.00 0.00 0.00 178.15 178.62 1agr h ALA 83 N 1.61 0.98 -0.22 1.87 0.00 -0.39 -0.84 119.26 122.27 1agr h ALA 83 Ca 0.51 -0.16 -0.04 0.00 0.00 0.00 0.00 54.91 55.22 1agr h ALA 83 Cb 0.80 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 18.29 1agr h ALA 83 CO -0.41 0.55 -0.03 0.82 0.00 0.00 0.00 179.25 180.18 1agr h ILE 84 N 1.07 1.28 0.54 0.00 2.04 -0.38 -2.42 117.51 119.63 1agr h ILE 84 Ca 0.26 -0.99 -0.03 0.00 1.00 0.00 0.00 64.86 65.10 1agr h ILE 84 Cb 0.13 1.48 0.01 0.00 -0.74 0.00 0.00 36.82 37.69 1agr h ILE 84 CO -0.03 0.31 -0.26 0.40 0.00 0.00 0.00 178.15 178.56 1agr h ILE 85 N 0.16 0.47 -1.01 -0.67 2.04 -0.75 -1.39 117.51 116.37 1agr h ILE 85 Ca 0.06 -0.01 0.25 0.00 1.00 0.00 0.00 64.86 66.17 1agr h ILE 85 Cb 0.47 0.47 -0.08 0.00 -0.74 0.00 0.00 36.82 36.95 1agr h ILE 85 CO 0.02 0.00 0.66 0.03 0.00 0.00 0.00 178.15 178.86 1agr h ARG 86 N -0.73 0.35 -0.06 2.37 3.08 -1.21 0.32 114.38 118.50 1agr h ARG 86 Ca -0.07 -0.02 -0.08 0.00 0.07 0.00 0.00 59.98 59.88 1agr h ARG 86 Cb 0.56 -0.08 -0.01 0.00 0.08 0.00 0.00 29.97 30.52 1agr h ARG 86 CO 0.12 0.23 -0.33 0.00 -1.07 0.00 0.00 179.97 178.92 1agr h ALA 87 N 1.60 1.34 -0.04 0.04 0.00 -0.77 -2.72 119.26 118.71 1agr h ALA 87 Ca 0.55 -0.33 0.01 0.00 0.00 0.00 0.00 54.91 55.15 1agr h ALA 87 Cb 1.48 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 19.18 1agr h ALA 87 CO -0.23 0.47 -0.03 0.52 0.00 0.00 0.00 179.25 179.98 1agr h MET 88 N 0.10 -0.03 0.01 0.00 2.86 0.58 -0.38 114.93 118.07 1agr h MET 88 Ca 0.01 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.66 1agr h MET 88 Cb 0.64 0.01 -0.00 0.00 0.06 0.00 0.00 31.60 32.30 1agr h MET 88 CO 0.05 -0.02 -0.05 0.78 1.06 0.00 0.00 176.91 178.72 1agr h GLY 89 N -0.03 -1.23 0.94 8.32 0.00 -1.29 -0.21 103.07 109.56 1agr h GLY 89 Ca 0.03 0.54 0.08 0.00 0.00 0.00 0.00 47.33 47.98 1agr h GLY 89 CO -0.06 -0.45 0.45 3.21 0.00 0.00 0.00 176.54 179.69 1agr h ARG 90 N -0.07 0.00 0.00 4.80 3.08 -1.38 -2.12 114.38 118.69 1agr h ARG 90 Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 1agr h ARG 90 Cb 0.08 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.13 1agr h ARG 90 CO -0.03 0.00 -1.02 1.28 -1.07 0.00 0.00 179.97 179.13 1agr n LEU 91 N -3.36 0.72 -1.89 3.04 4.77 -0.16 -5.01 117.00 115.11 1agr n LEU 91 Ca 0.04 -0.42 -0.05 0.00 -0.03 0.00 0.00 56.01 55.56 1agr n LEU 91 Cb 0.58 0.00 0.02 0.00 -2.33 0.00 0.00 43.42 41.70 1agr n LEU 91 CO 0.21 0.18 0.02 1.17 -1.33 0.00 0.00 177.39 177.64 1agr n LYS 92 N -1.55 -1.22 -3.96 3.23 4.81 -0.15 -5.04 118.16 114.27 1agr n LYS 92 Ca 0.02 0.26 -0.31 0.00 -0.87 0.00 0.00 58.31 57.41 1agr n LYS 92 Cb 0.32 -3.09 -0.15 0.00 0.02 0.00 0.00 35.03 32.12 1agr n LYS 92 CO 0.00 0.00 0.00 0.42 1.17 0.00 0.00 177.40 178.99 1agr s ILE 93 N -3.11 1.71 0.53 3.15 1.01 -0.83 -5.07 121.20 118.60 1agr s ILE 93 Ca 0.08 -1.44 -0.16 0.00 0.00 0.00 0.00 60.65 59.12 1agr s ILE 93 Cb -0.01 -1.99 -0.07 0.00 0.01 0.00 0.00 42.46 40.40 1agr s ILE 93 CO 0.22 -0.17 1.00 -1.81 0.00 0.00 0.00 174.94 174.17 1agr s ASP 94 N 1.29 6.48 1.19 3.58 1.01 -1.26 -4.66 116.67 124.30 1agr s ASP 94 Ca -0.04 1.60 -0.14 0.00 0.71 0.00 0.00 52.55 54.69 1agr s ASP 94 Cb -0.19 -2.51 0.30 0.00 1.01 0.00 0.00 42.92 41.52 1agr s ASP 94 CO -0.07 -0.69 1.02 -0.36 0.21 0.00 0.00 175.17 175.28 1agr s PHE 95 N -2.62 1.22 -0.03 4.23 0.08 -1.26 -4.17 117.98 115.43 1agr s PHE 95 Ca 0.59 1.09 -0.01 0.00 0.12 0.00 0.00 56.93 58.73 1agr s PHE 95 Cb -0.11 -3.08 -0.00 0.00 -0.57 0.00 0.00 43.02 39.26 1agr s PHE 95 CO 0.33 -3.99 -0.01 0.78 -0.10 0.00 0.00 175.22 172.22 1agr h GLY 96 N -2.71 0.00 -5.74 4.36 0.00 -1.91 -3.42 103.07 93.65 1agr h GLY 96 Ca -0.61 0.00 -0.59 0.00 0.00 0.00 0.00 47.33 46.13 1agr h GLY 96 CO 0.50 0.00 0.17 -0.35 0.00 0.00 0.00 176.54 176.86 1agr s ASP 97 N -3.87 6.78 0.41 0.19 -1.08 -1.26 -4.94 116.67 112.90 1agr s ASP 97 Ca -0.01 0.95 0.28 0.00 -0.52 0.00 0.00 52.55 53.25 1agr s ASP 97 Cb 0.00 -2.38 1.46 0.00 -1.46 0.00 0.00 42.92 40.55 1agr s ASP 97 CO 0.02 -0.28 1.87 0.00 0.52 0.00 0.00 175.17 177.30 1agr h ALA 98 N 7.35 1.00 -0.03 3.66 0.00 -2.01 -1.18 119.26 128.05 1agr h ALA 98 Ca -0.32 0.00 0.01 0.00 0.00 0.00 0.00 54.91 54.60 1agr h ALA 98 Cb 1.15 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.94 1agr h ALA 98 CO 0.79 0.00 0.03 0.00 0.00 0.00 0.00 179.25 180.07 1agr h ALA 99 N 2.04 1.67 -0.22 0.00 0.00 -1.99 -2.97 119.26 117.79 1agr h ALA 99 Ca 0.00 -0.00 0.06 0.00 0.00 0.00 0.00 54.91 54.97 1agr h ALA 99 Cb 0.10 0.00 -0.07 0.00 0.00 0.00 0.00 17.79 17.82 1agr h ALA 99 CO 0.00 -0.05 -0.29 0.00 0.00 0.00 0.00 179.25 178.92 1agr h ARG 100 N 0.00 -0.30 -1.61 0.00 2.47 -1.62 -2.52 114.38 110.79 1agr h ARG 100 Ca 0.01 0.02 0.49 0.00 -1.26 0.00 0.00 59.98 59.25 1agr h ARG 100 Cb 0.08 0.07 -0.10 0.00 -1.65 0.00 0.00 29.97 28.37 1agr h ARG 100 CO -0.00 -0.20 1.12 0.00 0.56 0.00 0.00 179.97 181.45 1agr h ALA 101 N 0.63 3.31 0.10 0.04 0.00 -1.74 1.50 119.26 123.09 1agr h ALA 101 Ca 0.12 0.01 -0.00 0.00 0.00 0.00 0.00 54.91 55.04 1agr h ALA 101 Cb 0.51 0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.47 1agr h ALA 101 CO -0.40 -1.88 -0.05 0.22 0.00 0.00 0.00 179.25 177.15 1agr h ASP 102 N 0.03 -0.11 -0.38 0.00 3.58 -1.66 -1.62 116.42 116.26 1agr h ASP 102 Ca 0.85 -0.43 0.08 0.00 0.42 0.00 0.00 57.03 57.95 1agr h ASP 102 Cb 3.11 0.03 -0.07 0.00 1.72 0.00 0.00 39.33 44.11 1agr h ASP 102 CO -0.19 0.41 -0.09 0.44 -2.88 0.00 0.00 179.24 176.93 1agr h ASP 103 N -0.67 -0.34 -0.58 2.28 3.32 0.18 -1.12 116.42 119.48 1agr h ASP 103 Ca -0.01 0.11 0.07 0.00 0.02 0.00 0.00 57.03 57.22 1agr h ASP 103 Cb 0.53 0.23 -0.06 0.00 0.22 0.00 0.00 39.33 40.25 1agr h ASP 103 CO 0.02 -0.12 0.26 0.00 -1.72 0.00 0.00 179.24 177.68 1agr h ALA 104 N 1.38 0.75 -0.48 3.45 0.00 -0.13 -0.50 119.26 123.74 1agr h ALA 104 Ca 0.18 0.05 -0.11 0.00 0.00 0.00 0.00 54.91 55.03 1agr h ALA 104 Cb 0.28 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.03 1agr h ALA 104 CO -0.39 -0.12 -0.14 -0.09 0.00 0.00 0.00 179.25 178.51 1agr h ARG 105 N 0.49 0.91 0.00 0.00 2.43 -0.43 -2.21 114.38 115.57 1agr h ARG 105 Ca 0.27 -0.34 -0.10 0.00 -0.81 0.00 0.00 59.98 59.01 1agr h ARG 105 Cb 0.26 -0.06 -0.01 0.00 -0.42 0.00 0.00 29.97 29.74 1agr h ARG 105 CO -0.23 0.99 -0.47 0.37 -1.51 0.00 0.00 179.97 179.12 1agr h GLN 106 N 0.81 0.00 -0.95 0.20 5.75 -0.86 -3.18 115.11 116.87 1agr h GLN 106 Ca 0.12 0.00 0.21 0.00 -0.15 0.00 0.00 58.65 58.83 1agr h GLN 106 Cb 0.68 0.00 -0.08 0.00 1.07 0.00 0.00 27.48 29.15 1agr h GLN 106 CO 0.05 0.47 0.61 1.25 -2.65 0.00 0.00 178.83 178.56 1agr h LEU 107 N 0.00 0.51 0.14 -2.39 5.85 -0.43 0.19 115.31 119.18 1agr h LEU 107 Ca -0.00 0.06 -0.31 0.00 0.84 0.00 0.00 57.88 58.47 1agr h LEU 107 Cb 0.84 -0.03 -0.00 0.00 0.37 0.00 0.00 40.66 41.84 1agr h LEU 107 CO 0.06 0.19 -1.51 -0.26 -0.34 0.00 0.00 178.44 176.58 1agr h PHE 108 N 0.50 0.52 -0.96 1.25 -1.00 -1.63 0.19 116.94 115.80 1agr h PHE 108 Ca 0.51 -0.38 0.16 0.00 2.81 0.00 0.00 57.97 61.07 1agr h PHE 108 Cb 1.14 -0.02 -0.10 0.00 3.61 0.00 0.00 35.95 40.58 1agr h PHE 108 CO -0.00 1.41 0.57 0.28 -1.61 0.00 0.00 178.31 178.96 1agr h VAL 109 N 0.08 0.78 0.00 -0.55 2.07 -1.05 -0.22 116.25 117.36 1agr h VAL 109 Ca -0.24 -0.27 -0.03 0.00 0.82 0.00 0.00 66.70 66.98 1agr h VAL 109 Cb 2.03 -0.09 -0.00 0.00 -1.52 0.00 0.00 31.29 31.70 1agr h VAL 109 CO 0.18 0.15 -0.18 -0.07 0.02 0.00 0.00 177.57 177.66 1agr h LEU 110 N 0.80 0.00 -1.09 2.57 3.38 -0.71 -3.22 115.31 117.04 1agr h LEU 110 Ca 0.53 -0.60 0.08 0.00 0.09 0.00 0.00 57.88 57.97 1agr h LEU 110 Cb 0.71 0.00 -0.07 0.00 0.09 0.00 0.00 40.66 41.40 1agr h LEU 110 CO -0.34 0.90 0.61 0.00 0.09 0.00 0.00 178.44 179.71 1agr h ALA 111 N -0.40 1.50 0.00 1.53 0.00 -0.54 -0.71 119.26 120.64 1agr h ALA 111 Ca -0.04 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.85 1agr h ALA 111 Cb 0.73 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 18.25 1agr h ALA 111 CO -0.03 0.34 0.00 0.41 0.00 0.00 0.00 179.25 179.97 1agr n GLY 112 N -1.38 -1.31 0.54 0.00 0.00 -0.10 -2.80 105.19 100.13 1agr n GLY 112 Ca 0.15 0.08 0.07 0.00 0.00 0.00 0.00 46.02 46.32 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 -1.78 3.06 -2.75 4.61 0.00 -0.33 -5.03 120.51 118.28 1agr n ALA 113 Ca 0.02 -2.90 -0.37 0.00 0.00 0.00 0.00 53.44 50.19 1agr n ALA 113 Cb 0.25 -0.41 -0.06 0.00 0.00 0.00 0.00 19.45 19.23 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 -2.64 3.80 0.58 0.00 0.00 -0.81 -5.01 121.76 117.67 1agr s ALA 114 Ca 0.34 -0.51 -0.12 0.00 0.00 0.00 0.00 51.96 51.67 1agr s ALA 114 Cb 0.33 -2.13 -0.05 0.00 0.00 0.00 0.00 23.12 21.27 1agr s ALA 114 CO -0.05 0.52 1.01 -1.21 0.00 0.00 0.00 175.76 176.02 1agr s GLU 115 N -0.85 3.69 -0.64 0.00 2.02 -1.26 -4.98 118.70 116.68 1agr s GLU 115 Ca 0.17 0.78 -0.27 0.00 0.02 0.00 0.00 54.97 55.68 1agr s GLU 115 Cb -0.13 -2.11 -0.01 0.00 0.10 0.00 0.00 34.13 31.98 1agr s GLU 115 CO 0.06 -0.47 1.71 -1.21 0.02 0.00 0.00 175.26 175.37 1agr s GLU 116 N -4.86 2.79 0.00 1.61 2.02 -1.26 -4.13 118.70 114.87 1agr s GLU 116 Ca 0.56 0.40 0.00 0.00 0.02 0.00 0.00 54.97 55.95 1agr s GLU 116 Cb -0.11 -4.33 0.00 0.00 0.10 0.00 0.00 34.13 29.79 1agr s GLU 116 CO 0.47 -2.56 0.00 0.41 0.02 0.00 0.00 175.26 173.60 1agr n GLY 117 N 5.61 -0.62 2.93 -1.39 0.00 -1.26 -4.96 105.19 105.49 1agr n GLY 117 Ca 0.16 0.36 -0.13 0.00 0.00 0.00 0.00 46.02 46.40 1agr n GLY 117 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1agr s PHE 118 N 0.00 -0.11 -0.19 1.61 -0.12 -1.26 -4.59 117.98 113.32 1agr s PHE 118 Ca 0.00 0.34 -0.29 0.00 -0.05 0.00 0.00 56.93 56.92 1agr s PHE 118 Cb 0.00 -0.05 -0.00 0.00 -0.63 0.00 0.00 43.02 42.34 1agr s PHE 118 CO 0.00 -0.10 1.09 1.41 -0.05 0.00 0.00 175.22 177.57 1agr s MET 119 N 0.63 4.28 0.56 1.99 -2.45 -1.26 -4.78 119.30 118.27 1agr s MET 119 Ca -0.05 1.44 -0.19 0.00 -1.25 0.00 0.00 55.69 55.65 1agr s MET 119 Cb -0.07 -3.65 -0.05 0.00 1.25 0.00 0.00 34.83 32.32 1agr s MET 119 CO -0.03 -0.59 1.16 0.95 1.05 0.00 0.00 175.02 177.55 1agr s THR 120 N 3.05 2.98 0.44 10.11 -4.23 -1.26 -4.85 115.64 121.88 1agr s THR 120 Ca 0.47 0.61 0.16 0.00 -1.18 0.00 0.00 61.69 61.76 1agr s THR 120 Cb -0.17 -3.24 0.36 0.00 1.34 0.00 0.00 72.50 70.78 1agr s THR 120 CO 0.10 -0.14 1.93 0.00 -0.54 0.00 0.00 174.62 175.98 1agr h ALA 121 N 1.06 2.14 0.49 3.99 0.00 -1.95 -1.55 119.26 123.44 1agr h ALA 121 Ca -0.50 -0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.38 1agr h ALA 121 Cb 1.27 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 19.01 1agr h ALA 121 CO 0.56 -0.33 -0.24 1.49 0.00 0.00 0.00 179.25 180.73 1agr h GLU 122 N 0.38 -0.63 -0.98 0.00 4.81 -2.00 -2.94 114.58 113.22 1agr h GLU 122 Ca 0.35 0.04 0.17 0.00 -0.13 0.00 0.00 59.36 59.80 1agr h GLU 122 Cb 0.84 0.14 -0.09 0.00 0.63 0.00 0.00 28.75 30.27 1agr h GLU 122 CO -0.11 -0.33 0.61 1.25 -0.73 0.00 0.00 179.01 179.70 1agr h LEU 123 N -1.03 0.76 -1.20 1.64 5.85 -1.69 0.28 115.31 119.93 1agr h LEU 123 Ca -0.07 0.07 -0.08 0.00 0.84 0.00 0.00 57.88 58.65 1agr h LEU 123 Cb 0.59 -0.07 -0.01 0.00 0.37 0.00 0.00 40.66 41.54 1agr h LEU 123 CO 0.11 0.31 -0.28 0.00 -0.34 0.00 0.00 178.44 178.25 1agr h ALA 124 N 1.61 1.33 -0.37 1.25 0.00 -1.37 -2.33 119.26 119.38 1agr h ALA 124 Ca 0.54 -0.31 -0.11 0.00 0.00 0.00 0.00 54.91 55.03 1agr h ALA 124 Cb 0.83 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.53 1agr h ALA 124 CO -0.31 0.46 -0.22 0.78 0.00 0.00 0.00 179.25 179.96 1agr h GLY 125 N 0.99 0.87 0.87 0.00 0.00 -0.27 0.33 103.07 105.85 1agr h GLY 125 Ca 0.03 -0.80 -0.01 0.00 0.00 0.00 0.00 47.33 46.54 1agr h GLY 125 CO 0.04 0.73 -0.23 -2.08 0.00 0.00 0.00 176.54 175.01 1agr h VAL 126 N 0.59 0.53 -0.39 4.60 2.07 -1.20 -1.41 116.25 121.03 1agr h VAL 126 Ca 0.08 0.00 0.02 0.00 0.82 0.00 0.00 66.70 67.62 1agr h VAL 126 Cb 0.78 0.53 -0.03 0.00 -1.52 0.00 0.00 31.29 31.04 1agr h VAL 126 CO 0.06 0.00 0.22 0.40 0.02 0.00 0.00 177.57 178.27 1agr h ILE 127 N -0.55 1.02 -0.04 4.57 2.04 -1.38 0.43 117.51 123.59 1agr h ILE 127 Ca -0.03 -0.15 0.02 0.00 1.00 0.00 0.00 64.86 65.70 1agr h ILE 127 Cb 0.46 0.54 -0.02 0.00 -0.74 0.00 0.00 36.82 37.06 1agr h ILE 127 CO 0.02 0.08 -0.09 0.50 0.00 0.00 0.00 178.15 178.66 1agr h LYS 128 N 0.44 -0.13 -0.35 2.37 3.64 -0.82 0.15 116.57 121.86 1agr h LYS 128 Ca 0.16 0.01 -0.01 0.00 -1.27 0.00 0.00 60.65 59.54 1agr h LYS 128 Cb 0.03 0.03 -0.02 0.00 -0.41 0.00 0.00 32.23 31.86 1agr h LYS 128 CO -0.09 -0.08 0.18 0.00 -2.27 0.00 0.00 179.45 177.19 1agr h ARG 129 N -0.13 0.50 0.01 1.90 3.08 -1.03 -1.76 114.38 116.95 1agr h ARG 129 Ca 0.05 -0.07 0.01 0.00 0.07 0.00 0.00 59.98 60.04 1agr h ARG 129 Cb 0.20 -0.09 -0.01 0.00 0.08 0.00 0.00 29.97 30.14 1agr h ARG 129 CO -0.12 0.44 -0.06 -0.07 -1.07 0.00 0.00 179.97 179.09 1agr h LEU 130 N 0.44 -0.16 -1.06 3.04 3.38 -0.66 -2.50 115.31 117.80 1agr h LEU 130 Ca 0.12 0.02 0.00 0.00 0.09 0.00 0.00 57.88 58.12 1agr h LEU 130 Cb 0.09 0.07 -0.04 0.00 0.09 0.00 0.00 40.66 40.87 1agr h LEU 130 CO -0.02 -0.09 0.57 -0.25 0.09 0.00 0.00 178.44 178.74 1agr h TRP 131 N -0.11 1.16 -0.37 1.13 -0.00 -0.52 -2.10 115.95 115.15 1agr h TRP 131 Ca 0.02 0.01 -0.07 0.00 -0.00 0.00 0.00 58.89 58.85 1agr h TRP 131 Cb 0.13 -0.39 -0.02 0.00 -0.00 0.00 0.00 29.16 28.88 1agr h TRP 131 CO -0.12 0.76 -0.05 0.87 -0.00 0.00 0.00 178.44 179.90 1agr h LYS 132 N 1.24 0.61 -6.73 2.65 1.79 -1.26 -3.41 116.57 111.46 1agr h LYS 132 Ca 0.33 -0.16 -0.57 0.00 -2.18 0.00 0.00 60.65 58.07 1agr h LYS 132 Cb -0.09 -0.07 0.17 0.00 -1.58 0.00 0.00 32.23 30.66 1agr h LYS 132 CO -0.07 0.67 -0.15 -3.47 -1.08 0.00 0.00 179.45 175.35 1agr n ASP 133 N -4.23 -0.27 0.08 0.86 2.03 -0.79 -4.88 116.55 109.36 1agr n ASP 133 Ca 0.01 0.70 -0.17 0.00 0.52 0.00 0.00 54.79 55.86 1agr n ASP 133 Cb 0.29 -1.29 -0.09 0.00 -0.72 0.00 0.00 41.12 39.31 1agr n ASP 133 CO 0.00 0.00 0.00 0.77 -1.92 0.00 0.00 177.20 176.05 1agr h SER 134 N 0.04 0.62 0.11 1.67 4.64 -1.88 -2.43 113.55 116.31 1agr h SER 134 Ca -0.47 -0.55 -0.01 0.00 -0.47 0.00 0.00 61.79 60.29 1agr h SER 134 Cb 1.36 -0.19 0.00 0.00 -0.31 0.00 0.00 62.40 63.26 1agr h SER 134 CO 0.47 1.38 -0.05 1.23 -0.87 0.00 0.00 176.83 178.98 1agr h GLY 135 N 1.03 -0.15 0.16 -0.77 0.00 -1.81 0.78 103.07 102.31 1agr h GLY 135 Ca -0.13 0.06 0.02 0.00 0.00 0.00 0.00 47.33 47.28 1agr h GLY 135 CO 0.20 -0.06 -0.48 -2.08 0.00 0.00 0.00 176.54 174.12 1agr h VAL 136 N -0.31 0.07 -0.85 4.60 2.07 -1.82 -0.94 116.25 119.08 1agr h VAL 136 Ca -0.01 0.00 0.18 0.00 0.82 0.00 0.00 66.70 67.69 1agr h VAL 136 Cb 0.25 0.07 -0.11 0.00 -1.52 0.00 0.00 31.29 29.98 1agr h VAL 136 CO 0.02 0.00 0.38 1.56 0.02 0.00 0.00 177.57 179.55 1agr h GLN 137 N -0.69 0.45 -0.97 1.57 1.08 -1.39 0.41 115.11 115.57 1agr h GLN 137 Ca 0.01 -0.03 0.04 0.00 -1.45 0.00 0.00 58.65 57.23 1agr h GLN 137 Cb 0.72 -0.10 -0.06 0.00 -0.05 0.00 0.00 27.48 27.99 1agr h GLN 137 CO -0.29 0.30 0.63 0.00 -0.95 0.00 0.00 178.83 178.53 1agr h ALA 138 N 1.63 1.39 0.03 3.87 0.00 0.20 0.60 119.26 126.98 1agr h ALA 138 Ca 0.50 -0.04 -0.00 0.00 0.00 0.00 0.00 54.91 55.37 1agr h ALA 138 Cb 0.84 -0.33 0.00 0.00 0.00 0.00 0.00 17.79 18.30 1agr h ALA 138 CO -0.46 0.51 -0.01 0.00 0.00 0.00 0.00 179.25 179.29 1agr h PHE 140 N -0.47 -0.08 0.00 0.00 3.57 0.12 0.51 116.94 120.60 1agr h PHE 140 Ca -0.00 0.05 0.00 0.00 3.53 0.00 0.00 57.97 61.55 1agr h PHE 140 Cb 0.44 0.15 0.00 0.00 2.79 0.00 0.00 35.95 39.33 1agr h PHE 140 CO 0.07 -0.23 0.00 0.09 -2.23 0.00 0.00 178.31 176.02 1agr n ASN 141 N -5.34 0.00 -0.42 0.41 3.02 0.16 -1.45 115.26 111.64 1agr n ASN 141 Ca 0.12 -0.15 0.07 0.00 -0.03 0.00 0.00 54.58 54.59 1agr n ASN 141 Cb 0.43 -0.15 0.16 0.00 -0.61 0.00 0.00 39.78 39.60 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 -1.15 2.38 0.07 3.52 1.74 0.18 -4.78 116.66 118.61 1agr n ARG 142 Ca 0.08 -2.40 0.04 0.00 -0.77 0.00 0.00 57.85 54.80 1agr n ARG 142 Cb 0.08 -1.49 0.19 0.00 -1.02 0.00 0.00 32.46 30.22 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 -0.66 0.18 0.16 0.55 3.41 -0.53 -0.80 113.62 115.94 1agr n SER 143 Ca 0.14 0.49 0.13 0.00 -0.26 0.00 0.00 58.87 59.37 1agr n SER 143 Cb 0.62 -0.48 0.55 0.00 -0.26 0.00 0.00 64.21 64.63 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 0.15 4.33 0.11 -1.86 -2.68 114.38 114.43 1agr h ARG 144 Ca 0.00 0.00 -0.20 0.00 0.10 0.00 0.00 59.98 59.88 1agr h ARG 144 Cb 0.29 0.00 0.02 0.00 1.11 0.00 0.00 29.97 31.40 1agr h ARG 144 CO 0.00 0.00 -0.90 0.93 0.10 0.00 0.00 179.97 180.10 1agr h GLU 145 N 0.00 0.31 0.00 0.08 5.08 -1.30 -3.42 114.58 115.32 1agr h GLU 145 Ca 0.00 -0.52 0.00 0.00 -1.00 0.00 0.00 59.36 57.84 1agr h GLU 145 Cb 0.37 0.20 0.00 0.00 0.50 0.00 0.00 28.75 29.82 1agr h GLU 145 CO 0.00 1.25 0.00 2.48 -1.00 0.00 0.00 179.01 181.74 1agr n TYR 146 N -4.09 0.00 -3.39 4.33 4.11 -1.01 -5.05 117.16 112.07 1agr n TYR 146 Ca -0.15 0.00 -0.13 0.00 -0.00 0.00 0.00 57.90 57.62 1agr n TYR 146 Cb 0.84 0.00 -0.09 0.00 -0.00 0.00 0.00 39.34 40.09 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 2.41 0.32 0.11 -3.48 -1.52 -1.25 -4.90 119.66 111.35 1agr s GLN 147 Ca 0.00 0.18 0.09 0.00 -1.95 0.00 0.00 55.36 53.68 1agr s GLN 147 Cb 0.00 -0.65 -0.04 0.00 -0.22 0.00 0.00 33.01 32.11 1agr s GLN 147 CO 0.00 -0.84 -0.24 -1.17 -0.25 0.00 0.00 175.29 172.79 1agr s LEU 148 N 2.44 2.30 0.10 2.90 2.96 -1.26 -4.97 118.68 123.14 1agr s LEU 148 Ca 0.10 -0.70 -0.31 0.00 -0.22 0.00 0.00 54.13 53.00 1agr s LEU 148 Cb -0.14 -1.05 -0.07 0.00 0.50 0.00 0.00 46.19 45.42 1agr s LEU 148 CO -0.23 0.13 1.28 0.20 -1.32 0.00 0.00 176.35 176.40 1agr s ASN 149 N -1.90 6.97 0.34 3.68 0.01 -1.26 -4.93 114.94 117.85 1agr s ASN 149 Ca 0.10 2.17 0.13 0.00 -0.71 0.00 0.00 52.86 54.56 1agr s ASN 149 Cb -0.10 -2.59 1.05 0.00 0.41 0.00 0.00 41.25 40.02 1agr s ASN 149 CO 0.05 -0.53 1.68 0.44 -1.51 0.00 0.00 177.10 177.22 1agr h ASP 150 N 6.56 0.55 -0.19 -1.22 3.32 -1.99 0.42 116.42 123.89 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 0.11 0.00 0.00 0.22 0.00 0.00 39.33 40.88 1agr h ASP 150 CO 0.82 -0.08 0.00 -1.20 -1.72 0.00 0.00 179.24 177.06 1agr n SER 151 N -5.01 2.23 0.07 6.45 7.64 -1.26 -4.44 113.62 119.29 1agr n SER 151 Ca 0.31 -2.23 -0.04 0.00 1.01 0.00 0.00 58.87 57.91 1agr n SER 151 Cb 0.93 -0.48 -0.02 0.00 -1.01 0.00 0.00 64.21 63.63 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 2.77 -0.84 -0.60 -0.43 0.00 -0.51 -1.30 119.26 118.34 1agr h ALA 152 Ca 0.00 -0.05 0.04 0.00 0.00 0.00 0.00 54.91 54.90 1agr h ALA 152 Cb 0.84 0.37 -0.03 0.00 0.00 0.00 0.00 17.79 18.96 1agr h ALA 152 CO 0.12 -0.85 0.40 0.00 0.00 0.00 0.00 179.25 178.92 1agr h ALA 153 N -1.55 1.70 -0.51 0.00 0.00 -1.82 -0.38 119.26 116.70 1agr h ALA 153 Ca -0.01 -0.03 0.07 0.00 0.00 0.00 0.00 54.91 54.94 1agr h ALA 153 Cb 0.21 -0.19 -0.06 0.00 0.00 0.00 0.00 17.79 17.75 1agr h ALA 153 CO -0.02 0.23 0.19 -0.92 0.00 0.00 0.00 179.25 178.73 1agr h TYR 154 N 0.69 0.33 0.23 0.00 5.03 -1.75 0.13 116.97 121.63 1agr h TYR 154 Ca 0.25 0.03 -0.33 0.00 2.58 0.00 0.00 58.73 61.25 1agr h TYR 154 Cb 0.12 -0.07 0.03 0.00 1.55 0.00 0.00 36.73 38.36 1agr h TYR 154 CO -0.00 0.11 -1.43 1.88 -1.32 0.00 0.00 178.16 177.39 1agr h TYR 155 N 0.37 0.91 -0.45 -3.82 0.05 -0.57 -3.25 116.97 110.22 1agr h TYR 155 Ca 0.25 -0.66 -0.03 0.00 0.05 0.00 0.00 58.73 58.33 1agr h TYR 155 Cb 0.27 -0.04 -0.02 0.00 1.01 0.00 0.00 36.73 37.95 1agr h TYR 155 CO -0.16 1.51 0.15 -0.07 -1.05 0.00 0.00 178.16 178.54 1agr h LEU 156 N 0.14 0.65 -0.88 3.88 3.38 -0.67 -1.36 115.31 120.45 1agr h LEU 156 Ca -0.23 -0.20 0.00 0.00 0.09 0.00 0.00 57.88 57.54 1agr h LEU 156 Cb 2.13 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 42.71 1agr h LEU 156 CO 0.26 0.67 0.00 0.78 0.09 0.00 0.00 178.44 180.25 1agr h ASN 157 N 0.58 0.00 -0.33 -0.43 2.35 -0.90 -2.48 115.58 114.38 1agr h ASN 157 Ca 0.14 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.89 1agr h ASN 157 Cb 0.25 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.62 1agr h ASN 157 CO -0.01 0.00 0.00 0.47 -1.65 0.00 0.00 177.43 176.24 1agr n ASP 158 N -2.43 4.12 -0.05 5.81 9.92 -0.60 -4.76 116.55 128.55 1agr n ASP 158 Ca 0.02 -2.90 -0.12 0.00 -0.53 0.00 0.00 54.79 51.25 1agr n ASP 158 Cb 0.25 -0.54 -0.07 0.00 -0.64 0.00 0.00 41.12 40.12 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 2.23 -1.48 -1.54 0.64 5.85 -0.83 -2.08 115.31 118.10 1agr h LEU 159 Ca 0.00 0.20 0.29 0.00 0.84 0.00 0.00 57.88 59.21 1agr h LEU 159 Cb 1.47 0.61 -0.08 0.00 0.37 0.00 0.00 40.66 43.02 1agr h LEU 159 CO 0.25 -0.42 0.72 0.44 -0.34 0.00 0.00 178.44 179.08 1agr h ASP 160 N -0.46 0.32 0.05 1.25 3.32 -1.86 0.31 116.42 119.35 1agr h ASP 160 Ca 0.08 0.06 -0.00 0.00 0.02 0.00 0.00 57.03 57.19 1agr h ASP 160 Cb 0.63 0.01 0.00 0.00 0.22 0.00 0.00 39.33 40.19 1agr h ASP 160 CO -0.47 0.05 -0.02 -0.09 -1.72 0.00 0.00 179.24 176.98 1agr h ARG 161 N 0.27 -0.06 0.00 3.56 2.43 -1.77 -3.18 114.38 115.63 1agr h ARG 161 Ca 0.59 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.76 1agr h ARG 161 Cb 1.73 0.01 0.00 0.00 -0.42 0.00 0.00 29.97 31.29 1agr h ARG 161 CO -0.22 0.56 0.00 -0.84 -1.51 0.00 0.00 179.97 177.96 1agr h ILE 162 N -0.81 0.00 0.16 1.20 3.07 -0.55 -3.12 117.51 117.46 1agr h ILE 162 Ca -0.01 -0.33 -0.30 0.00 1.55 0.00 0.00 64.86 65.78 1agr h ILE 162 Cb 0.65 1.18 0.03 0.00 -0.27 0.00 0.00 36.82 38.41 1agr h ILE 162 CO 0.01 0.00 -1.26 0.00 -1.05 0.00 0.00 178.15 175.85 1agr h ALA 163 N 2.12 -0.06 -1.53 0.16 0.00 -0.49 -3.46 119.26 116.00 1agr h ALA 163 Ca 0.00 -0.78 -0.72 0.00 0.00 0.00 0.00 54.91 53.41 1agr h ALA 163 Cb 0.39 0.13 0.04 0.00 0.00 0.00 0.00 17.79 18.35 1agr h ALA 163 CO 0.00 0.65 0.54 1.04 0.00 0.00 0.00 179.25 181.48 1agr n GLN 164 N -3.82 0.96 -0.35 0.00 1.13 -1.18 -4.78 117.38 109.35 1agr n GLN 164 Ca -0.15 0.35 0.23 0.00 -1.94 0.00 0.00 57.00 55.50 1agr n GLN 164 Cb 1.00 -1.98 0.49 0.00 0.11 0.00 0.00 30.24 29.85 1agr n GLN 164 CO 0.00 0.00 0.00 -1.00 -1.44 0.00 0.00 177.06 174.62 1agr h PRO 165 N 5.14 0.38 -0.53 -1.09 0.13 -1.90 -0.65 132.00 133.47 1agr h PRO 165 Ca -0.48 -0.02 0.00 0.00 -0.87 0.00 0.00 66.00 64.63 1agr h PRO 165 Cb 1.34 -0.08 0.00 0.00 0.13 0.00 0.00 31.00 32.39 1agr h PRO 165 CO 0.82 0.25 0.00 0.09 -0.23 0.00 0.00 178.00 178.93 1agr n ASN 166 N -4.81 1.74 -4.76 1.44 4.13 -1.26 -4.93 115.26 106.81 1agr n ASN 166 Ca 0.29 -2.13 -0.41 0.00 1.68 0.00 0.00 54.58 54.01 1agr n ASN 166 Cb 0.94 -0.34 -0.02 0.00 -1.54 0.00 0.00 39.78 38.82 1agr n ASN 166 CO 0.00 0.00 0.00 -0.47 0.28 0.00 0.00 177.26 177.07 1agr s TYR 167 N -1.62 2.93 -0.10 3.10 6.14 -0.26 -5.04 117.35 122.51 1agr s TYR 167 Ca 0.15 1.21 0.01 0.00 0.64 0.00 0.00 57.07 59.07 1agr s TYR 167 Cb 0.10 -3.81 0.02 0.00 0.42 0.00 0.00 41.96 38.68 1agr s TYR 167 CO 0.07 -2.44 -0.10 0.42 0.64 0.00 0.00 175.55 174.15 1agr s ILE 168 N -0.70 1.16 0.29 3.14 1.01 -1.26 -5.04 121.20 119.80 1agr s ILE 168 Ca 0.54 -0.41 -0.30 0.00 0.00 0.00 0.00 60.65 60.48 1agr s ILE 168 Cb -0.42 -1.13 -0.13 0.00 0.01 0.00 0.00 42.46 40.80 1agr s ILE 168 CO 0.51 0.38 1.36 -2.65 0.00 0.00 0.00 174.94 174.54 1agr n PRO 169 N 4.57 2.10 -2.10 2.79 -0.02 -1.26 -4.98 135.00 136.10 1agr n PRO 169 Ca -0.16 0.74 -0.27 0.00 -2.02 0.00 0.00 63.50 61.79 1agr n PRO 169 Cb 0.51 -2.37 0.08 0.00 -0.02 0.00 0.00 33.50 31.70 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 -0.54 2.17 0.46 3.45 -4.23 -1.26 -4.73 115.64 110.96 1agr s THR 170 Ca 0.62 -0.18 0.13 0.00 -1.18 0.00 0.00 61.69 61.08 1agr s THR 170 Cb -0.60 -2.99 0.22 0.00 1.34 0.00 0.00 72.50 70.47 1agr s THR 170 CO 0.55 0.00 2.05 1.56 -0.54 0.00 0.00 174.62 178.24 1agr h GLN 171 N -0.80 0.13 -0.22 3.99 4.20 -1.94 -1.03 115.11 119.44 1agr h GLN 171 Ca -0.45 -0.02 -0.18 0.00 0.06 0.00 0.00 58.65 58.06 1agr h GLN 171 Cb 1.32 -0.03 -0.00 0.00 0.30 0.00 0.00 27.48 29.07 1agr h GLN 171 CO 0.60 0.18 -0.60 0.37 -0.67 0.00 0.00 178.83 178.71 1agr h GLN 172 N 0.13 0.73 0.38 1.46 5.75 -1.94 -1.11 115.11 120.52 1agr h GLN 172 Ca 0.03 -0.49 -0.01 0.00 -0.15 0.00 0.00 58.65 58.03 1agr h GLN 172 Cb 0.15 0.07 -0.02 0.00 1.07 0.00 0.00 27.48 28.75 1agr h GLN 172 CO 0.01 1.12 -0.41 -0.44 -2.65 0.00 0.00 178.83 176.45 1agr h ASP 173 N 0.55 -1.13 -1.10 -0.69 3.32 -1.75 -0.41 116.42 115.21 1agr h ASP 173 Ca -0.00 0.09 0.30 0.00 0.02 0.00 0.00 57.03 57.45 1agr h ASP 173 Cb 1.19 0.38 -0.08 0.00 0.22 0.00 0.00 39.33 41.04 1agr h ASP 173 CO 0.12 -0.53 0.75 0.58 -1.72 0.00 0.00 179.24 178.44 1agr h VAL 174 N -0.80 0.46 0.00 -1.35 2.07 -1.16 0.34 116.25 115.81 1agr h VAL 174 Ca -0.05 -0.08 -0.06 0.00 0.82 0.00 0.00 66.70 67.34 1agr h VAL 174 Cb 0.70 0.22 -0.01 0.00 -1.52 0.00 0.00 31.29 30.68 1agr h VAL 174 CO -0.06 0.04 -0.31 -0.07 0.02 0.00 0.00 177.57 177.18 1agr h LEU 175 N 0.22 0.00 0.00 2.57 3.38 -0.60 -3.19 115.31 117.69 1agr h LEU 175 Ca 0.59 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.56 1agr h LEU 175 Cb 1.85 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.60 1agr h LEU 175 CO -0.19 0.28 -0.44 0.03 0.09 0.00 0.00 178.44 178.21 1agr h ARG 176 N 0.00 0.00 -6.99 1.13 2.47 0.14 -3.47 114.38 107.65 1agr h ARG 176 Ca -0.01 0.00 -0.55 0.00 -1.26 0.00 0.00 59.98 58.16 1agr h ARG 176 Cb 1.22 0.00 0.18 0.00 -1.65 0.00 0.00 29.97 29.71 1agr h ARG 176 CO 0.04 0.00 0.17 0.25 0.56 0.00 0.00 179.97 180.99 1agr n THR 177 N -2.48 3.03 -5.04 2.04 -2.24 -0.79 -4.63 114.28 104.16 1agr n THR 177 Ca 0.03 -0.37 -0.32 0.00 -2.27 0.00 0.00 64.05 61.12 1agr n THR 177 Cb 0.48 -1.16 -0.15 0.00 -2.10 0.00 0.00 70.33 67.41 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 -3.40 2.61 -0.35 -0.78 6.06 -1.26 -5.06 118.95 116.78 1agr s ARG 178 Ca 0.75 -0.79 0.05 0.00 -2.50 0.00 0.00 55.73 53.24 1agr s ARG 178 Cb -0.35 -2.31 0.19 0.00 0.06 0.00 0.00 34.95 32.54 1agr s ARG 178 CO 0.49 0.47 0.65 0.08 -2.50 0.00 0.00 175.30 174.50 1agr s VAL 179 N -0.36 -0.92 0.25 7.11 1.01 -1.26 -4.96 120.40 121.26 1agr s VAL 179 Ca 0.03 0.00 -0.29 0.00 0.00 0.00 0.00 61.98 61.72 1agr s VAL 179 Cb -0.12 -0.43 -0.15 0.00 0.00 0.00 0.00 36.38 35.68 1agr s VAL 179 CO 0.02 0.00 1.00 1.17 0.00 0.00 0.00 175.10 177.29 1agr n LYS 180 N 4.83 1.14 -3.86 2.72 4.81 -1.26 -4.92 118.16 121.62 1agr n LYS 180 Ca 0.08 0.40 -0.35 0.00 -0.87 0.00 0.00 58.31 57.57 1agr n LYS 180 Cb 0.56 -1.77 -0.10 0.00 0.02 0.00 0.00 35.03 33.75 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 -0.81 4.99 -0.07 3.15 2.01 -1.26 -5.08 115.64 118.58 1agr s THR 181 Ca 0.63 0.04 0.03 0.00 0.31 0.00 0.00 61.69 62.71 1agr s THR 181 Cb -0.77 -3.28 -0.02 0.00 0.01 0.00 0.00 72.50 68.44 1agr s THR 181 CO 0.57 0.42 -0.16 0.28 -0.69 0.00 0.00 174.62 175.04 1agr s THR 182 N 0.63 2.89 0.00 -0.82 -1.32 -1.26 -4.10 115.64 111.66 1agr s THR 182 Ca 0.05 -0.77 0.00 0.00 -1.21 0.00 0.00 61.69 59.76 1agr s THR 182 Cb -0.13 -2.14 0.00 0.00 -1.51 0.00 0.00 72.50 68.73 1agr s THR 182 CO 0.01 0.57 0.00 0.61 -2.21 0.00 0.00 174.62 173.60 1agr n GLY 183 N 2.68 0.75 2.78 6.08 0.00 -1.26 -4.85 105.19 111.37 1agr n GLY 183 Ca -0.17 -1.55 -0.16 0.00 0.00 0.00 0.00 46.02 44.14 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 -0.39 -0.15 -0.61 1.01 -1.26 -2.61 121.20 117.20 1agr s ILE 184 Ca 0.00 -0.17 -0.07 0.00 0.00 0.00 0.00 60.65 60.41 1agr s ILE 184 Cb 0.00 -0.75 -0.04 0.00 0.01 0.00 0.00 42.46 41.68 1agr s ILE 184 CO 0.00 -0.23 0.10 -0.69 0.00 0.00 0.00 174.94 174.11 1agr s VAL 185 N 2.37 5.12 -0.13 2.92 1.01 -0.08 -4.96 120.40 126.65 1agr s VAL 185 Ca 0.08 0.07 -0.01 0.00 0.00 0.00 0.00 61.98 62.12 1agr s VAL 185 Cb -0.15 -3.26 -0.02 0.00 0.00 0.00 0.00 36.38 32.94 1agr s VAL 185 CO -0.16 0.54 -0.09 -0.70 0.00 0.00 0.00 175.10 174.69 1agr s GLU 186 N -0.35 3.40 0.02 2.72 2.12 -1.26 -0.08 118.70 125.28 1agr s GLU 186 Ca 0.10 -0.61 0.05 0.00 0.36 0.00 0.00 54.97 54.87 1agr s GLU 186 Cb -0.12 -2.73 -0.02 0.00 0.26 0.00 0.00 34.13 31.53 1agr s GLU 186 CO 0.01 0.29 -0.14 0.99 -0.54 0.00 0.00 175.26 175.87 1agr s THR 187 N 0.19 1.14 -0.08 -1.70 2.01 0.73 -4.98 115.64 112.96 1agr s THR 187 Ca -0.05 -0.88 0.04 0.00 0.31 0.00 0.00 61.69 61.11 1agr s THR 187 Cb -0.15 -1.01 -0.01 0.00 0.01 0.00 0.00 72.50 71.35 1agr s THR 187 CO 0.04 0.11 -0.20 -1.00 -0.69 0.00 0.00 174.62 172.88 1agr s HIS 188 N -0.68 2.58 0.01 4.92 3.76 -1.26 0.06 115.29 124.68 1agr s HIS 188 Ca 0.03 -0.62 -0.24 0.00 -0.15 0.00 0.00 55.06 54.08 1agr s HIS 188 Cb -0.07 -1.67 0.05 0.00 1.11 0.00 0.00 32.58 32.00 1agr s HIS 188 CO 0.01 -0.15 0.53 -0.59 -0.85 0.00 0.00 174.74 173.69 1agr s PHE 189 N -0.12 -0.45 -0.17 1.40 -0.71 -0.89 -5.02 117.98 112.01 1agr s PHE 189 Ca -0.04 0.62 -0.07 0.00 -1.04 0.00 0.00 56.93 56.40 1agr s PHE 189 Cb -0.14 0.33 -0.04 0.00 -1.21 0.00 0.00 43.02 41.96 1agr s PHE 189 CO 0.04 -0.60 0.04 0.99 -1.34 0.00 0.00 175.22 174.35 1agr s THR 190 N -1.97 4.64 -0.03 -4.49 2.01 -1.26 -0.57 115.64 113.97 1agr s THR 190 Ca -0.08 -0.09 -0.01 0.00 0.31 0.00 0.00 61.69 61.82 1agr s THR 190 Cb -0.01 -3.08 0.02 0.00 0.01 0.00 0.00 72.50 69.45 1agr s THR 190 CO 0.02 0.47 0.07 0.12 -0.69 0.00 0.00 174.62 174.61 1agr s PHE 191 N 0.31 -0.05 0.00 4.92 5.36 -0.05 -4.90 117.98 123.57 1agr s PHE 191 Ca 0.02 0.22 0.00 0.00 -0.96 0.00 0.00 56.93 56.21 1agr s PHE 191 Cb -0.13 -0.12 0.00 0.00 -0.34 0.00 0.00 43.02 42.43 1agr s PHE 191 CO 0.01 -0.09 0.00 1.63 -1.46 0.00 0.00 175.22 175.31 1agr n LYS 192 N 3.84 0.00 -0.37 10.12 5.02 -1.26 -0.75 118.16 134.76 1agr n LYS 192 Ca -0.23 0.00 0.09 0.00 -2.02 0.00 0.00 58.31 56.15 1agr n LYS 192 Cb 0.53 0.00 0.28 0.00 -0.02 0.00 0.00 35.03 35.82 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 2.62 3.48 -4.75 4.39 8.00 -1.26 -4.96 116.55 124.08 1agr n ASP 193 Ca 0.00 -2.11 -0.40 0.00 0.71 0.00 0.00 54.79 52.99 1agr n ASP 193 Cb 0.00 -0.44 -0.06 0.00 -0.02 0.00 0.00 41.12 40.60 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 -1.17 4.61 -0.34 0.64 1.43 0.07 -4.87 118.68 119.05 1agr s LEU 194 Ca 0.41 1.90 -0.07 0.00 -1.03 0.00 0.00 54.13 55.34 1agr s LEU 194 Cb 0.23 -3.59 0.03 0.00 0.03 0.00 0.00 46.19 42.89 1agr s LEU 194 CO 0.26 0.11 0.11 -1.00 0.23 0.00 0.00 176.35 176.06 1agr s HIS 195 N -0.89 3.23 -0.19 0.29 3.76 0.12 -0.87 115.29 120.74 1agr s HIS 195 Ca 0.42 -1.29 -0.10 0.00 -0.15 0.00 0.00 55.06 53.95 1agr s HIS 195 Cb -0.25 -2.29 -0.05 0.00 1.11 0.00 0.00 32.58 31.10 1agr s HIS 195 CO 0.31 -0.69 0.13 -0.06 -0.85 0.00 0.00 174.74 173.58 1agr s PHE 196 N 1.44 3.42 -0.38 1.40 0.08 0.27 -0.96 117.98 123.25 1agr s PHE 196 Ca -0.00 0.35 -0.03 0.00 0.12 0.00 0.00 56.93 57.36 1agr s PHE 196 Cb -0.19 -2.14 0.09 0.00 -0.57 0.00 0.00 43.02 40.21 1agr s PHE 196 CO 0.03 0.32 0.16 0.15 -0.10 0.00 0.00 175.22 175.79 1agr s LYS 197 N 0.26 2.14 -0.15 0.44 1.02 0.08 -2.10 119.74 121.44 1agr s LYS 197 Ca 0.09 -1.66 -0.06 0.00 0.02 0.00 0.00 55.97 54.35 1agr s LYS 197 Cb -0.11 -3.51 -0.04 0.00 -0.52 0.00 0.00 37.83 33.65 1agr s LYS 197 CO -0.02 -0.96 0.07 1.41 -0.92 0.00 0.00 175.35 174.94 1agr s MET 198 N 1.19 3.64 -0.42 1.68 1.75 0.11 -0.50 119.30 126.74 1agr s MET 198 Ca 0.05 -0.29 0.02 0.00 -1.25 0.00 0.00 55.69 54.21 1agr s MET 198 Cb -0.22 -3.13 0.11 0.00 2.84 0.00 0.00 34.83 34.43 1agr s MET 198 CO -0.03 0.50 0.17 -0.06 -0.65 0.00 0.00 175.02 174.95 1agr s PHE 199 N -0.27 3.57 0.32 4.11 0.40 0.50 -0.19 117.98 126.41 1agr s PHE 199 Ca 0.09 -2.88 -0.27 0.00 -0.60 0.00 0.00 56.93 53.27 1agr s PHE 199 Cb -0.12 -3.00 -0.09 0.00 0.51 0.00 0.00 43.02 40.31 1agr s PHE 199 CO 0.01 -0.90 1.00 0.34 0.70 0.00 0.00 175.22 176.37 1agr s ASP 200 N 0.85 7.25 0.12 1.36 2.15 0.89 -1.90 116.67 127.39 1agr s ASP 200 Ca 0.12 1.99 0.01 0.00 0.43 0.00 0.00 52.55 55.10 1agr s ASP 200 Cb -0.21 -2.60 -0.04 0.00 -0.30 0.00 0.00 42.92 39.77 1agr s ASP 200 CO -0.05 -0.14 -0.02 0.68 -0.17 0.00 0.00 175.17 175.48 1agr s VAL 201 N -1.45 0.48 0.28 1.11 -7.23 -1.25 -0.90 120.40 111.44 1agr s VAL 201 Ca 0.49 -1.92 -0.29 0.00 -1.81 0.00 0.00 61.98 58.45 1agr s VAL 201 Cb -0.23 -1.85 -0.09 0.00 0.56 0.00 0.00 36.38 34.76 1agr s VAL 201 CO 0.30 -0.70 1.00 -0.83 -0.31 0.00 0.00 175.10 174.56 1agr s GLY 202 N -3.06 3.02 0.03 2.32 0.00 -1.07 -4.92 107.32 103.64 1agr s GLY 202 Ca 0.17 0.70 0.21 0.00 0.00 0.00 0.00 44.72 45.80 1agr s GLY 202 CO -0.02 1.25 0.64 0.61 0.00 0.00 0.00 173.10 175.58 1agr n GLY 203 N 1.15 -1.15 3.67 0.20 0.00 -1.26 -4.52 105.19 103.28 1agr n GLY 203 Ca -0.01 -0.38 -0.38 0.00 0.00 0.00 0.00 46.02 45.26 1agr n GLY 203 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1agr n GLN 204 N -2.49 1.12 -0.33 1.61 3.00 -1.26 -3.44 117.38 115.59 1agr n GLN 204 Ca -0.06 0.43 0.15 0.00 -0.01 0.00 0.00 57.00 57.51 1agr n GLN 204 Cb 0.65 -2.33 0.35 0.00 0.00 0.00 0.00 30.24 28.91 1agr n GLN 204 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 1agr h ARG 205 N 0.73 0.52 0.00 -1.09 3.08 -1.99 0.53 114.38 116.16 1agr h ARG 205 Ca -0.49 -0.03 -0.05 0.00 0.07 0.00 0.00 59.98 59.47 1agr h ARG 205 Cb 1.35 -0.12 -0.01 0.00 0.08 0.00 0.00 29.97 31.27 1agr h ARG 205 CO 0.53 0.34 -0.26 0.66 -1.07 0.00 0.00 179.97 180.17 1agr h SER 206 N 0.53 0.00 1.40 7.04 4.64 -1.98 -2.75 113.55 122.44 1agr h SER 206 Ca 0.61 0.00 -0.10 0.00 -0.47 0.00 0.00 61.79 61.82 1agr h SER 206 Cb 1.13 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.20 1agr h SER 206 CO -0.48 0.26 -0.49 -0.33 -0.87 0.00 0.00 176.83 174.91 1agr h GLU 207 N 0.00 0.00 0.00 4.77 4.39 -0.25 -3.37 114.58 120.12 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 0.51 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 29.16 1agr h GLU 207 CO 0.03 0.49 -0.11 0.00 -1.16 0.00 0.00 179.01 178.27 1agr h ARG 208 N 0.00 0.00 0.00 2.33 3.08 -1.11 -1.04 114.38 117.65 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 1.33 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.38 1agr h ARG 208 CO 0.06 0.11 0.00 1.57 -1.07 0.00 0.00 179.97 180.64 1agr h LYS 209 N 0.00 0.00 0.00 0.04 2.10 -1.75 -1.62 116.57 115.34 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 0.38 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.71 1agr h LYS 209 CO 0.01 0.00 -0.46 0.87 -2.00 0.00 0.00 179.45 177.88 1agr h LYS 210 N 0.00 0.00 -0.47 0.07 1.57 -1.47 -3.39 116.57 112.89 1agr h LYS 210 Ca 0.00 0.00 0.05 0.00 -1.87 0.00 0.00 60.65 58.83 1agr h LYS 210 Cb 0.24 0.00 -0.05 0.00 0.08 0.00 0.00 32.23 32.50 1agr h LYS 210 CO 0.00 0.00 0.19 -1.49 -0.57 0.00 0.00 179.45 177.58 1agr h TRP 211 N 0.00 0.34 0.00 -1.35 4.06 -1.40 -2.33 115.95 115.27 1agr h TRP 211 Ca 0.00 0.02 0.00 0.00 2.06 0.00 0.00 58.89 60.97 1agr h TRP 211 Cb 0.76 -0.08 0.00 0.00 -1.00 0.00 0.00 29.16 28.84 1agr h TRP 211 CO 0.00 0.14 0.09 1.51 -3.56 0.00 0.00 178.44 176.61 1agr n ILE 212 N -4.97 1.23 0.32 1.49 3.06 -1.26 -0.57 119.36 118.65 1agr n ILE 212 Ca 0.04 0.65 0.12 0.00 -2.50 0.00 0.00 62.75 61.05 1agr n ILE 212 Cb 0.16 -1.65 0.53 0.00 0.54 0.00 0.00 39.64 39.22 1agr n ILE 212 CO 0.00 0.00 0.00 1.41 -2.50 0.00 0.00 176.55 175.46 1agr n HIS 213 N -1.89 0.80 -0.59 9.51 8.25 -0.88 -3.01 115.22 127.40 1agr n HIS 213 Ca -0.01 0.34 0.03 0.00 -0.26 0.00 0.00 57.72 57.82 1agr n HIS 213 Cb 0.10 -1.05 0.04 0.00 1.12 0.00 0.00 29.99 30.20 1agr n HIS 213 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1agr n PHE 215 N -0.62 0.00 -3.84 0.00 3.01 -1.16 -4.83 117.46 110.02 1agr n PHE 215 Ca 0.04 0.00 -0.36 0.00 1.01 0.00 0.00 57.45 58.14 1agr n PHE 215 Cb 0.43 0.00 -0.10 0.00 -0.01 0.00 0.00 39.48 39.79 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 3.94 -0.77 -1.08 2.12 -1.26 -4.48 118.70 115.16 1agr s GLU 216 Ca 0.16 -0.35 -0.00 0.00 0.36 0.00 0.00 54.97 55.14 1agr s GLU 216 Cb 0.07 -3.35 -0.00 0.00 0.26 0.00 0.00 34.13 31.11 1agr s GLU 216 CO 0.12 0.10 0.64 0.41 -0.54 0.00 0.00 175.26 175.99 1agr n GLY 217 N 4.11 -0.10 3.58 -1.50 0.00 -1.26 -4.98 105.19 105.04 1agr n GLY 217 Ca -0.16 -0.08 -0.41 0.00 0.00 0.00 0.00 46.02 45.37 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 -3.23 4.99 0.01 1.61 1.01 -1.26 -4.61 120.40 118.92 1agr s VAL 218 Ca 0.02 0.55 -0.17 0.00 0.00 0.00 0.00 61.98 62.37 1agr s VAL 218 Cb -0.00 -3.97 -0.10 0.00 0.00 0.00 0.00 36.38 32.31 1agr s VAL 218 CO 0.47 -0.18 1.01 0.74 0.00 0.00 0.00 175.10 177.15 1agr h THR 219 N 5.58 0.00 -3.91 3.92 2.02 -1.38 -3.42 112.91 115.72 1agr h THR 219 Ca -0.28 -0.15 -0.26 0.00 0.77 0.00 0.00 66.41 66.49 1agr h THR 219 Cb 1.12 0.00 -0.19 0.00 -1.74 0.00 0.00 68.15 67.35 1agr h THR 219 CO 0.78 0.00 -0.72 0.00 0.37 0.00 0.00 175.52 175.95 1agr s ALA 220 N -4.30 0.73 -0.12 6.16 0.00 -0.95 -1.77 121.76 121.50 1agr s ALA 220 Ca -0.09 -0.99 0.03 0.00 0.00 0.00 0.00 51.96 50.91 1agr s ALA 220 Cb 0.01 0.09 0.01 0.00 0.00 0.00 0.00 23.12 23.22 1agr s ALA 220 CO 0.28 -0.10 -0.22 0.42 0.00 0.00 0.00 175.76 176.14 1agr s ILE 221 N -2.22 1.98 -0.34 0.00 1.01 -0.66 -1.22 121.20 119.75 1agr s ILE 221 Ca -0.02 -0.95 -0.15 0.00 0.00 0.00 0.00 60.65 59.53 1agr s ILE 221 Cb -0.04 -1.74 -0.01 0.00 0.01 0.00 0.00 42.46 40.67 1agr s ILE 221 CO -0.02 0.54 0.37 -0.63 0.00 0.00 0.00 174.94 175.20 1agr s ILE 222 N 0.68 5.16 -0.57 2.92 1.01 -0.43 -0.35 121.20 129.62 1agr s ILE 222 Ca -0.11 0.12 -0.12 0.00 0.00 0.00 0.00 60.65 60.54 1agr s ILE 222 Cb -0.16 -3.82 0.14 0.00 0.01 0.00 0.00 42.46 38.63 1agr s ILE 222 CO 0.02 -0.08 0.48 0.12 0.00 0.00 0.00 174.94 175.48 1agr s PHE 223 N 2.05 3.43 0.56 3.97 2.19 0.19 -1.39 117.98 128.98 1agr s PHE 223 Ca 0.12 -1.77 -0.19 0.00 0.33 0.00 0.00 56.93 55.42 1agr s PHE 223 Cb -0.16 -3.63 -0.05 0.00 -1.31 0.00 0.00 43.02 37.87 1agr s PHE 223 CO 0.12 -0.99 1.15 0.00 1.83 0.00 0.00 175.22 177.32 1agr s VAL 225 N -1.77 -0.30 -0.50 0.00 1.01 0.56 -4.48 120.40 114.93 1agr s VAL 225 Ca 0.73 0.25 -0.29 0.00 0.00 0.00 0.00 61.98 62.68 1agr s VAL 225 Cb -0.25 -0.41 0.02 0.00 0.00 0.00 0.00 36.38 35.75 1agr s VAL 225 CO 0.29 0.11 1.24 0.00 0.00 0.00 0.00 175.10 176.74 1agr s ALA 226 N 2.09 3.06 0.42 5.51 0.00 -1.26 0.58 121.76 132.16 1agr s ALA 226 Ca -0.01 -0.51 0.11 0.00 0.00 0.00 0.00 51.96 51.54 1agr s ALA 226 Cb -0.12 -3.96 0.95 0.00 0.00 0.00 0.00 23.12 20.00 1agr s ALA 226 CO -0.08 -2.45 2.02 -0.07 0.00 0.00 0.00 175.76 175.18 1agr h LEU 227 N 11.79 0.41 -0.28 0.00 3.38 -1.31 -2.52 115.31 126.78 1agr h LEU 227 Ca -0.25 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.72 1agr h LEU 227 Cb 1.07 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 41.73 1agr h LEU 227 CO 1.14 0.27 0.00 -1.54 0.09 0.00 0.00 178.44 178.40 1agr n SER 228 N -4.48 0.26 -1.63 -0.43 3.41 -1.26 -3.49 113.62 106.01 1agr n SER 228 Ca 0.06 -1.89 0.08 0.00 -0.26 0.00 0.00 58.87 56.86 1agr n SER 228 Cb 0.21 -0.13 0.36 0.00 -0.26 0.00 0.00 64.21 64.39 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 -0.35 4.85 0.22 4.04 9.92 -0.95 -4.40 116.55 129.87 1agr n ASP 229 Ca 0.00 -2.57 0.10 0.00 -0.53 0.00 0.00 54.79 51.79 1agr n ASP 229 Cb 0.07 -0.60 0.39 0.00 -0.64 0.00 0.00 41.12 40.33 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 3.87 0.00 -0.07 1.24 -0.00 -1.80 -2.56 116.97 117.65 1agr h TYR 230 Ca 0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 58.73 58.72 1agr h TYR 230 Cb 1.56 0.00 -0.01 0.00 -0.00 0.00 0.00 36.73 38.28 1agr h TYR 230 CO 0.83 0.21 -0.06 -0.40 -0.00 0.00 0.00 178.16 178.74 1agr n ASP 231 N -3.29 2.59 -4.59 0.10 5.75 -1.26 -3.54 116.55 112.30 1agr n ASP 231 Ca 0.01 -3.20 -0.25 0.00 -0.01 0.00 0.00 54.79 51.34 1agr n ASP 231 Cb 0.47 -0.47 -0.09 0.00 -1.03 0.00 0.00 41.12 39.99 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 -2.93 2.87 0.22 -2.12 1.43 -1.21 -4.81 118.68 112.13 1agr s LEU 232 Ca 0.35 -1.07 0.11 0.00 -1.03 0.00 0.00 54.13 52.49 1agr s LEU 232 Cb 0.31 -1.21 -0.05 0.00 0.03 0.00 0.00 46.19 45.28 1agr s LEU 232 CO 0.03 -0.21 -0.16 0.68 0.23 0.00 0.00 176.35 176.91 1agr s VAL 233 N -2.55 2.73 0.27 -1.59 -7.23 -1.26 -1.24 120.40 109.53 1agr s VAL 233 Ca 0.34 -2.03 -0.30 0.00 -1.81 0.00 0.00 61.98 58.18 1agr s VAL 233 Cb 0.01 -2.37 -0.11 0.00 0.56 0.00 0.00 36.38 34.46 1agr s VAL 233 CO 0.18 -0.22 1.53 -0.76 -0.31 0.00 0.00 175.10 175.51 1agr s LEU 234 N -3.06 4.36 0.26 1.32 1.43 0.20 -4.70 118.68 118.49 1agr s LEU 234 Ca 0.26 2.83 -0.03 0.00 -1.03 0.00 0.00 54.13 56.16 1agr s LEU 234 Cb -0.07 -3.63 0.41 0.00 0.03 0.00 0.00 46.19 42.93 1agr s LEU 234 CO 0.14 -0.82 1.86 0.00 0.23 0.00 0.00 176.35 177.76 1agr h ALA 235 N 4.92 1.34 -0.00 4.21 0.00 -1.97 -0.83 119.26 126.94 1agr h ALA 235 Ca -0.47 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.43 1agr h ALA 235 Cb 1.22 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 18.74 1agr h ALA 235 CO 0.79 0.35 -0.02 -0.85 0.00 0.00 0.00 179.25 179.52 1agr n GLU 236 N -4.56 0.68 -3.13 0.00 0.00 -1.26 -4.58 120.64 107.79 1agr n GLU 236 Ca 0.15 -0.06 0.02 0.00 0.00 0.00 0.00 57.16 57.27 1agr n GLU 236 Cb 0.21 -1.50 -0.00 0.00 0.00 0.00 0.00 31.44 30.15 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 -2.36 -1.30 0.11 -1.84 -1.08 -0.32 -5.04 116.67 104.84 1agr s ASP 237 Ca 0.35 -0.42 0.05 0.00 -0.52 0.00 0.00 52.55 52.02 1agr s ASP 237 Cb 0.21 1.70 0.29 0.00 -1.46 0.00 0.00 42.92 43.66 1agr s ASP 237 CO 0.43 -0.17 1.04 -0.62 0.52 0.00 0.00 175.17 176.37 1agr n GLU 238 N 4.57 0.04 -0.00 4.34 1.02 -1.17 -1.21 120.64 128.22 1agr n GLU 238 Ca 0.09 0.44 0.11 0.00 -0.02 0.00 0.00 57.16 57.77 1agr n GLU 238 Cb 0.57 -1.79 0.09 0.00 -0.02 0.00 0.00 31.44 30.30 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 -1.62 2.08 -4.57 3.49 1.02 -1.26 -4.84 120.64 114.93 1agr n GLU 239 Ca -0.00 -1.82 -0.33 0.00 -0.02 0.00 0.00 57.16 54.98 1agr n GLU 239 Cb 0.18 -1.42 -0.13 0.00 -0.02 0.00 0.00 31.44 30.05 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 -1.84 3.50 -0.03 3.49 1.75 -0.35 -5.04 119.30 120.78 1agr s MET 240 Ca 0.26 -0.59 -0.30 0.00 -1.25 0.00 0.00 55.69 53.81 1agr s MET 240 Cb 0.18 -2.78 -0.03 0.00 2.84 0.00 0.00 34.83 35.05 1agr s MET 240 CO 0.28 0.26 1.05 1.21 -0.65 0.00 0.00 175.02 177.16 1agr s ASN 241 N 0.29 7.25 0.24 1.11 3.84 -1.26 -0.63 114.94 125.78 1agr s ASN 241 Ca -0.06 1.69 -0.07 0.00 0.21 0.00 0.00 52.86 54.63 1agr s ASN 241 Cb -0.15 -2.57 0.27 0.00 -0.55 0.00 0.00 41.25 38.26 1agr s ASN 241 CO 0.04 -0.39 1.88 0.03 -2.79 0.00 0.00 177.10 175.87 1agr h ARG 242 N 6.98 1.07 -0.11 0.43 3.08 -1.31 0.11 114.38 124.63 1agr h ARG 242 Ca -0.37 -0.06 0.02 0.00 0.07 0.00 0.00 59.98 59.64 1agr h ARG 242 Cb 1.19 -0.24 -0.02 0.00 0.08 0.00 0.00 29.97 30.97 1agr h ARG 242 CO 0.81 0.71 -0.05 1.98 -1.07 0.00 0.00 179.97 182.35 1agr h MET 243 N 1.11 -0.03 -0.30 0.04 4.05 -1.70 0.27 114.93 118.36 1agr h MET 243 Ca 0.35 0.00 -0.01 0.00 -0.28 0.00 0.00 59.70 59.76 1agr h MET 243 Cb 0.01 0.01 -0.02 0.00 -0.80 0.00 0.00 31.60 30.80 1agr h MET 243 CO -0.12 -0.02 0.13 0.45 0.23 0.00 0.00 176.91 177.57 1agr h HIS 244 N -0.04 0.40 0.47 1.39 3.86 -1.74 0.11 115.15 119.60 1agr h HIS 244 Ca 0.06 -0.01 -0.02 0.00 -1.16 0.00 0.00 60.37 59.24 1agr h HIS 244 Cb 0.12 -0.13 0.00 0.00 1.06 0.00 0.00 27.41 28.47 1agr h HIS 244 CO -0.17 0.32 -0.23 1.49 0.86 0.00 0.00 177.93 180.20 1agr h GLU 245 N 0.41 -0.61 -0.37 2.45 4.57 0.68 -2.04 114.58 119.68 1agr h GLU 245 Ca 0.11 0.04 0.06 0.00 -1.18 0.00 0.00 59.36 58.39 1agr h GLU 245 Cb 0.08 0.14 -0.05 0.00 -0.16 0.00 0.00 28.75 28.75 1agr h GLU 245 CO -0.01 -0.39 0.03 0.77 -1.18 0.00 0.00 179.01 178.23 1agr h SER 246 N -0.67 -0.09 -0.35 1.04 0.02 0.20 0.98 113.55 114.69 1agr h SER 246 Ca -0.06 0.08 0.07 0.00 -0.84 0.00 0.00 61.79 61.03 1agr h SER 246 Cb 0.50 0.12 -0.07 0.00 0.14 0.00 0.00 62.40 63.09 1agr h SER 246 CO 0.11 -0.01 -0.12 0.24 -1.14 0.00 0.00 176.83 175.90 1agr h MET 247 N 0.14 -0.05 -0.09 3.45 2.86 -0.77 0.32 114.93 120.78 1agr h MET 247 Ca 0.18 0.00 0.03 0.00 -2.06 0.00 0.00 59.70 57.85 1agr h MET 247 Cb 0.23 0.01 -0.03 0.00 0.06 0.00 0.00 31.60 31.87 1agr h MET 247 CO -0.27 -0.03 -0.09 0.87 1.06 0.00 0.00 176.91 178.45 1agr h LYS 248 N -0.05 -0.11 -0.33 1.72 1.57 -0.51 0.19 116.57 119.05 1agr h LYS 248 Ca 0.17 0.01 0.05 0.00 -1.87 0.00 0.00 60.65 59.01 1agr h LYS 248 Cb 0.32 0.02 -0.05 0.00 0.08 0.00 0.00 32.23 32.60 1agr h LYS 248 CO -0.39 -0.07 0.05 1.25 -0.57 0.00 0.00 179.45 179.72 1agr h LEU 249 N -0.11 -0.02 -0.01 2.94 5.85 0.19 -1.31 115.31 122.83 1agr h LEU 249 Ca 0.07 0.06 -0.00 0.00 0.84 0.00 0.00 57.88 58.84 1agr h LEU 249 Cb 0.20 0.09 -0.00 0.00 0.37 0.00 0.00 40.66 41.32 1agr h LEU 249 CO -0.16 0.02 0.01 0.15 -0.34 0.00 0.00 178.44 178.12 1agr h PHE 250 N 0.16 0.02 -1.03 1.25 3.57 0.18 0.13 116.94 121.22 1agr h PHE 250 Ca 0.16 -0.00 0.26 0.00 3.53 0.00 0.00 57.97 61.92 1agr h PHE 250 Cb 0.18 -0.01 -0.09 0.00 2.79 0.00 0.00 35.95 38.83 1agr h PHE 250 CO -0.19 0.17 0.66 0.22 -2.23 0.00 0.00 178.31 176.94 1agr h ASP 251 N -0.14 0.46 0.39 0.41 1.82 -0.43 0.34 116.42 119.26 1agr h ASP 251 Ca 0.00 0.08 -0.02 0.00 -0.39 0.00 0.00 57.03 56.71 1agr h ASP 251 Cb 0.16 0.01 0.00 0.00 0.68 0.00 0.00 39.33 40.18 1agr h ASP 251 CO -0.00 0.10 -0.19 -1.28 -1.61 0.00 0.00 179.24 176.26 1agr h SER 252 N 0.41 -0.44 0.34 2.28 0.87 0.03 -2.90 113.55 114.14 1agr h SER 252 Ca 0.59 0.02 -0.01 0.00 -1.23 0.00 0.00 61.79 61.16 1agr h SER 252 Cb 1.47 0.11 -0.01 0.00 -0.44 0.00 0.00 62.40 63.53 1agr h SER 252 CO -0.29 -0.01 -0.26 0.40 -0.53 0.00 0.00 176.83 176.13 1agr h ILE 253 N -1.12 0.46 -0.28 2.23 1.08 -0.38 -2.32 117.51 117.17 1agr h ILE 253 Ca -0.05 0.00 0.05 0.00 -0.39 0.00 0.00 64.86 64.46 1agr h ILE 253 Cb 0.40 0.46 -0.08 0.00 -3.07 0.00 0.00 36.82 34.53 1agr h ILE 253 CO 0.09 0.00 -0.51 0.00 -0.69 0.00 0.00 178.15 177.04 1agr n ASN 255 N -5.41 0.00 -4.73 0.00 3.02 -1.09 -4.85 115.26 102.19 1agr n ASN 255 Ca -0.04 -1.34 -0.41 0.00 -0.03 0.00 0.00 54.58 52.76 1agr n ASN 255 Cb 0.36 0.00 -0.03 0.00 -0.61 0.00 0.00 39.78 39.50 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 -1.55 6.93 0.42 6.41 3.84 -0.27 -4.93 114.94 125.80 1agr s ASN 256 Ca 0.21 2.33 0.10 0.00 0.21 0.00 0.00 52.86 55.70 1agr s ASN 256 Cb 0.09 -2.60 0.94 0.00 -0.55 0.00 0.00 41.25 39.13 1agr s ASN 256 CO 0.16 -0.52 2.04 0.50 -2.79 0.00 0.00 177.10 176.49 1agr h LYS 257 N 5.73 0.46 -0.03 0.43 3.64 -1.89 0.69 116.57 125.60 1agr h LYS 257 Ca -0.44 -0.03 0.01 0.00 -1.27 0.00 0.00 60.65 58.92 1agr h LYS 257 Cb 1.21 -0.10 -0.00 0.00 -0.41 0.00 0.00 32.23 32.93 1agr h LYS 257 CO 0.79 0.30 0.04 -1.49 -2.27 0.00 0.00 179.45 176.82 1agr h TRP 258 N 0.47 0.00 -0.38 1.91 4.06 -1.92 -2.77 115.95 117.32 1agr h TRP 258 Ca 0.18 0.00 -0.11 0.00 2.06 0.00 0.00 58.89 61.02 1agr h TRP 258 Cb 0.12 0.00 -0.06 0.00 -1.00 0.00 0.00 29.16 28.21 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 -3.60 1.26 -0.20 0.49 3.72 0.23 -4.69 117.46 114.68 1agr n PHE 259 Ca -0.02 -1.19 -0.03 0.00 -0.05 0.00 0.00 57.45 56.15 1agr n PHE 259 Cb 0.12 -0.44 0.07 0.00 -0.94 0.00 0.00 39.48 38.29 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 1.61 0.97 -1.39 4.37 2.02 -1.52 -2.96 112.91 116.01 1agr h THR 260 Ca 0.13 -0.20 -0.62 0.00 0.77 0.00 0.00 66.41 66.48 1agr h THR 260 Cb 1.68 0.33 -0.38 0.00 -1.74 0.00 0.00 68.15 68.04 1agr h THR 260 CO 0.38 0.11 -0.25 0.47 0.37 0.00 0.00 175.52 176.59 1agr n ASP 261 N -4.83 5.59 -4.31 4.18 8.00 -1.26 -4.99 116.55 118.93 1agr n ASP 261 Ca 0.06 -3.76 -0.29 0.00 0.71 0.00 0.00 54.79 51.51 1agr n ASP 261 Cb 0.15 -0.60 -0.15 0.00 -0.02 0.00 0.00 41.12 40.50 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 -5.17 2.01 -0.66 -3.53 2.01 -1.12 -4.94 115.64 104.24 1agr s THR 262 Ca 0.51 -1.25 -0.27 0.00 0.31 0.00 0.00 61.69 60.99 1agr s THR 262 Cb 0.42 -1.70 0.01 0.00 0.01 0.00 0.00 72.50 71.24 1agr s THR 262 CO -0.17 0.40 1.54 -0.44 -0.69 0.00 0.00 174.62 175.27 1agr s SER 263 N -1.01 5.79 -0.61 3.53 0.01 -0.73 -4.92 113.70 115.77 1agr s SER 263 Ca 0.10 -0.02 -0.24 0.00 1.31 0.00 0.00 55.95 57.11 1agr s SER 263 Cb -0.10 -2.55 0.05 0.00 0.21 0.00 0.00 66.02 63.64 1agr s SER 263 CO 0.01 -2.04 0.97 -0.63 0.41 0.00 0.00 173.24 171.96 1agr s ILE 264 N 7.15 4.32 0.04 1.44 1.01 -1.26 -1.66 121.20 132.24 1agr s ILE 264 Ca 0.51 0.04 -0.15 0.00 0.00 0.00 0.00 60.65 61.04 1agr s ILE 264 Cb -0.10 -4.62 -0.06 0.00 0.01 0.00 0.00 42.46 37.69 1agr s ILE 264 CO 0.19 -1.30 0.46 -0.63 0.00 0.00 0.00 174.94 173.66 1agr s ILE 265 N 4.11 4.95 -0.22 2.92 1.01 0.53 -1.33 121.20 133.17 1agr s ILE 265 Ca 0.27 0.89 -0.01 0.00 0.00 0.00 0.00 60.65 61.81 1agr s ILE 265 Cb -0.14 -3.75 0.02 0.00 0.01 0.00 0.00 42.46 38.60 1agr s ILE 265 CO 0.15 0.51 -0.11 -0.22 0.00 0.00 0.00 174.94 175.28 1agr s LEU 266 N -1.25 2.82 -0.67 2.97 2.96 -0.71 -0.63 118.68 124.17 1agr s LEU 266 Ca 0.27 -0.78 -0.16 0.00 -0.22 0.00 0.00 54.13 53.24 1agr s LEU 266 Cb -0.17 -1.60 0.15 0.00 0.50 0.00 0.00 46.19 45.07 1agr s LEU 266 CO 0.16 -0.08 0.66 -0.36 -1.32 0.00 0.00 176.35 175.42 1agr s PHE 267 N 1.31 3.36 -1.05 5.38 0.40 -0.21 -0.57 117.98 126.60 1agr s PHE 267 Ca 0.02 -1.46 -0.23 0.00 -0.60 0.00 0.00 56.93 54.66 1agr s PHE 267 Cb -0.15 -3.88 -0.00 0.00 0.51 0.00 0.00 43.02 39.50 1agr s PHE 267 CO -0.07 -1.09 1.74 -0.51 0.70 0.00 0.00 175.22 175.98 1agr s LEU 268 N 1.41 3.37 0.70 -0.37 1.43 -0.17 -0.32 118.68 124.73 1agr s LEU 268 Ca 0.11 -1.37 -0.03 0.00 -1.03 0.00 0.00 54.13 51.81 1agr s LEU 268 Cb -0.21 -2.57 0.10 0.00 0.03 0.00 0.00 46.19 43.53 1agr s LEU 268 CO -0.01 -2.12 0.98 0.21 0.23 0.00 0.00 176.35 175.64 1agr s ASN 269 N 6.15 4.56 -1.44 2.29 2.47 0.20 -2.07 114.94 127.10 1agr s ASN 269 Ca 0.59 -0.00 0.00 0.00 0.42 0.00 0.00 52.86 53.87 1agr s ASN 269 Cb -0.02 -0.53 0.00 0.00 -1.45 0.00 0.00 41.25 39.25 1agr s ASN 269 CO -0.01 -1.71 0.00 0.29 -3.72 0.00 0.00 177.10 171.95 1agr n LYS 270 N -2.84 -1.33 0.27 0.43 4.76 -1.14 -0.95 118.16 117.36 1agr n LYS 270 Ca 0.12 0.82 0.12 0.00 -2.87 0.00 0.00 58.31 56.50 1agr n LYS 270 Cb 0.60 -5.24 0.75 0.00 -1.84 0.00 0.00 35.03 29.31 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 0.00 0.00 0.10 1.97 2.10 -1.73 0.35 116.57 119.36 1agr h LYS 271 Ca -0.39 0.00 -0.01 0.00 -2.00 0.00 0.00 60.65 58.25 1agr h LYS 271 Cb 1.29 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.62 1agr h LYS 271 CO 0.47 0.09 -0.05 0.38 -2.00 0.00 0.00 179.45 178.34 1agr h ASP 272 N 0.00 -0.12 -0.48 7.07 2.03 -1.90 -1.43 116.42 121.59 1agr h ASP 272 Ca -0.00 -0.18 -0.05 0.00 -0.73 0.00 0.00 57.03 56.06 1agr h ASP 272 Cb 0.24 0.03 -0.02 0.00 -0.83 0.00 0.00 39.33 38.75 1agr h ASP 272 CO 0.01 0.11 0.09 -0.07 -1.03 0.00 0.00 179.24 178.35 1agr h LEU 273 N -0.35 0.76 -1.69 0.15 3.38 -1.71 -2.48 115.31 113.36 1agr h LEU 273 Ca -0.01 -0.25 -0.02 0.00 0.09 0.00 0.00 57.88 57.68 1agr h LEU 273 Cb 0.29 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.83 1agr h LEU 273 CO 0.02 0.82 0.01 0.15 0.09 0.00 0.00 178.44 179.53 1agr h PHE 274 N 0.66 0.20 -0.23 1.13 3.57 -0.29 -0.82 116.94 121.16 1agr h PHE 274 Ca 0.15 -0.00 -0.09 0.00 3.53 0.00 0.00 57.97 61.55 1agr h PHE 274 Cb 0.38 -0.06 -0.00 0.00 2.79 0.00 0.00 35.95 39.05 1agr h PHE 274 CO 0.03 0.20 -0.20 1.49 -2.23 0.00 0.00 178.31 177.60 1agr h GLU 275 N 0.20 0.54 -0.31 1.11 4.81 -0.79 -1.26 114.58 118.87 1agr h GLU 275 Ca 0.05 -0.27 -0.08 0.00 -0.13 0.00 0.00 59.36 58.92 1agr h GLU 275 Cb 0.12 0.01 -0.01 0.00 0.63 0.00 0.00 28.75 29.50 1agr h GLU 275 CO 0.00 0.85 -0.12 1.05 -0.73 0.00 0.00 179.01 180.06 1agr h GLU 276 N 0.23 0.64 -0.68 1.92 4.11 -1.33 -3.23 114.58 116.23 1agr h GLU 276 Ca 0.04 -0.27 -0.00 0.00 0.07 0.00 0.00 59.36 59.20 1agr h GLU 276 Cb 0.74 -0.03 -0.03 0.00 0.50 0.00 0.00 28.75 29.93 1agr h GLU 276 CO 0.05 0.84 0.42 -0.22 0.07 0.00 0.00 179.01 180.18 1agr h LYS 277 N 0.40 0.91 0.00 1.06 3.64 -1.06 -2.26 116.57 119.27 1agr h LYS 277 Ca 0.07 -0.07 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 1agr h LYS 277 Cb 0.64 -0.20 0.00 0.00 -0.41 0.00 0.00 32.23 32.26 1agr h LYS 277 CO 0.04 0.63 0.00 1.51 -2.27 0.00 0.00 179.45 179.36 1agr n ILE 278 N -4.41 0.65 -0.08 2.00 0.13 -0.49 -0.18 119.36 116.98 1agr n ILE 278 Ca 0.07 0.07 -0.14 0.00 -1.10 0.00 0.00 62.75 61.65 1agr n ILE 278 Cb 0.06 -0.85 -0.05 0.00 -0.84 0.00 0.00 39.64 37.96 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 0.71 0.00 9.51 1.57 -1.51 -3.38 116.57 123.47 1agr h LYS 279 Ca 0.00 -0.42 -0.05 0.00 -1.87 0.00 0.00 60.65 58.31 1agr h LYS 279 Cb 0.45 0.04 -0.01 0.00 0.08 0.00 0.00 32.23 32.79 1agr h LYS 279 CO 0.00 1.04 -0.67 1.63 -0.57 0.00 0.00 179.45 180.88 1agr n LYS 280 N -4.20 0.47 -3.25 3.15 4.76 -0.97 -4.92 118.16 113.21 1agr n LYS 280 Ca -0.05 0.53 -0.41 0.00 -2.87 0.00 0.00 58.31 55.51 1agr n LYS 280 Cb 0.53 -1.70 -0.08 0.00 -1.84 0.00 0.00 35.03 31.94 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 -5.96 6.31 0.52 4.39 0.15 0.74 -5.04 113.70 114.82 1agr s SER 281 Ca -0.18 -0.03 -0.22 0.00 0.70 0.00 0.00 55.95 56.23 1agr s SER 281 Cb 0.03 -2.27 -0.07 0.00 -1.71 0.00 0.00 66.02 62.01 1agr s SER 281 CO 0.29 -0.47 1.16 -0.81 1.20 0.00 0.00 173.24 174.61 1agr n PRO 282 N 5.73 1.42 0.00 5.44 -0.04 -1.26 -4.46 135.00 141.82 1agr n PRO 282 Ca -0.05 0.52 0.14 0.00 -0.04 0.00 0.00 63.50 64.07 1agr n PRO 282 Cb 0.49 -2.32 0.63 0.00 -0.04 0.00 0.00 33.50 32.26 1agr n PRO 282 CO 0.00 0.00 0.00 -0.11 -0.04 0.00 0.00 175.50 175.35 1agr n LEU 283 N -0.46 0.10 0.25 1.53 7.94 -1.26 -3.10 117.00 122.01 1agr n LEU 283 Ca 0.11 0.33 0.15 0.00 -1.11 0.00 0.00 56.01 55.48 1agr n LEU 283 Cb 0.44 -0.37 0.51 0.00 0.53 0.00 0.00 43.42 44.53 1agr n LEU 283 CO 0.54 0.02 0.91 0.71 -1.11 0.00 0.00 177.39 178.46 1agr h THR 284 N 0.07 0.08 -0.78 1.96 1.35 -1.89 0.13 112.91 113.83 1agr h THR 284 Ca 0.00 -0.75 0.17 0.00 -0.55 0.00 0.00 66.41 65.28 1agr h THR 284 Cb 0.41 1.69 -0.11 0.00 -1.73 0.00 0.00 68.15 68.41 1agr h THR 284 CO 0.00 0.04 0.25 0.40 -0.25 0.00 0.00 175.52 175.96 1agr h ILE 285 N 0.00 0.53 0.01 6.82 2.04 -1.88 -2.62 117.51 122.40 1agr h ILE 285 Ca -0.00 -0.11 -0.24 0.00 1.00 0.00 0.00 64.86 65.51 1agr h ILE 285 Cb 0.69 0.17 -0.03 0.00 -0.74 0.00 0.00 36.82 36.90 1agr h ILE 285 CO 0.00 0.06 -1.29 0.00 0.00 0.00 0.00 178.15 176.92 1agr s TYR 287 N -2.37 3.46 0.21 0.00 1.51 0.40 -4.96 117.35 115.59 1agr s TYR 287 Ca -0.28 -2.04 -0.10 0.00 -1.01 0.00 0.00 57.07 53.64 1agr s TYR 287 Cb 0.06 -3.08 0.15 0.00 -0.11 0.00 0.00 41.96 38.98 1agr s TYR 287 CO 0.60 -0.93 1.83 -1.35 -1.11 0.00 0.00 175.55 174.60 1agr h PRO 288 N 8.20 1.05 0.00 -1.71 0.11 -1.73 -2.87 132.00 135.06 1agr h PRO 288 Ca -0.18 -0.12 0.00 0.00 0.11 0.00 0.00 66.00 65.82 1agr h PRO 288 Cb 1.06 -0.21 0.00 0.00 0.11 0.00 0.00 31.00 31.96 1agr h PRO 288 CO 0.72 0.77 0.00 0.39 -0.21 0.00 0.00 178.00 179.67 1agr n GLU 289 N -4.46 0.19 -2.05 1.05 -0.58 -1.26 -4.80 120.64 108.73 1agr n GLU 289 Ca 0.07 0.14 -0.43 0.00 -0.42 0.00 0.00 57.16 56.52 1agr n GLU 289 Cb 0.08 -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 -2.68 2.01 -1.43 -0.32 5.04 -1.08 -4.85 117.35 114.03 1agr s TYR 290 Ca 0.15 0.40 0.22 0.00 -2.44 0.00 0.00 57.07 55.40 1agr s TYR 290 Cb 0.12 -3.95 -0.03 0.00 0.35 0.00 0.00 41.96 38.45 1agr s TYR 290 CO 0.28 -3.37 1.05 0.00 -1.34 0.00 0.00 175.55 172.18 1agr n ALA 291 N 8.06 4.12 -1.00 3.97 0.00 -1.26 -4.86 120.51 129.54 1agr n ALA 291 Ca 0.19 -0.58 0.00 0.00 0.00 0.00 0.00 53.44 53.04 1agr n ALA 291 Cb 0.44 -0.83 0.00 0.00 0.00 0.00 0.00 19.45 19.06 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 1.46 -2.04 4.02 0.00 0.00 -1.26 -5.07 105.19 102.30 1agr n GLY 292 Ca 0.07 -1.47 -0.19 0.00 0.00 0.00 0.00 46.02 44.42 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 -1.41 5.29 -0.65 1.61 1.04 -1.26 -5.02 113.70 113.31 1agr s SER 293 Ca 0.00 -0.70 0.01 0.00 0.48 0.00 0.00 55.95 55.74 1agr s SER 293 Cb 0.00 -0.06 0.39 0.00 0.10 0.00 0.00 66.02 66.45 1agr s SER 293 CO 0.00 -1.12 1.64 0.59 0.98 0.00 0.00 173.24 175.33 1agr n ASN 294 N -2.08 6.33 -4.86 7.02 3.02 -1.26 -4.15 115.26 119.28 1agr n ASN 294 Ca 0.12 -3.79 -0.35 0.00 -0.03 0.00 0.00 54.58 50.54 1agr n ASN 294 Cb 0.61 -0.79 -0.05 0.00 -0.61 0.00 0.00 39.78 38.93 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 -5.22 5.05 0.16 3.41 -4.23 -1.26 -4.54 115.64 109.00 1agr s THR 295 Ca 0.51 0.50 -0.28 0.00 -1.18 0.00 0.00 61.69 61.25 1agr s THR 295 Cb 0.43 -3.66 -0.01 0.00 1.34 0.00 0.00 72.50 70.59 1agr s THR 295 CO -0.28 0.26 1.56 0.22 -0.54 0.00 0.00 174.62 175.83 1agr h TYR 296 N 3.61 -1.44 -0.57 3.99 5.03 -1.92 -1.27 116.97 124.39 1agr h TYR 296 Ca -0.49 0.08 0.03 0.00 2.58 0.00 0.00 58.73 60.94 1agr h TYR 296 Cb 1.19 0.70 -0.04 0.00 1.55 0.00 0.00 36.73 40.14 1agr h TYR 296 CO 0.66 -0.44 0.34 0.93 -1.32 0.00 0.00 178.16 178.32 1agr h GLU 297 N -0.27 0.64 -0.12 1.82 3.07 -1.97 0.56 114.58 118.31 1agr h GLU 297 Ca 0.15 -0.04 -0.22 0.00 -0.50 0.00 0.00 59.36 58.75 1agr h GLU 297 Cb 0.57 -0.15 0.01 0.00 -0.84 0.00 0.00 28.75 28.34 1agr h GLU 297 CO -0.67 0.43 -0.78 1.49 -1.40 0.00 0.00 179.01 178.07 1agr h GLU 298 N 0.66 0.74 0.42 2.33 4.81 -1.77 -2.84 114.58 118.93 1agr h GLU 298 Ca 0.23 -0.64 -0.02 0.00 -0.13 0.00 0.00 59.36 58.81 1agr h GLU 298 Cb 0.05 0.14 0.00 0.00 0.63 0.00 0.00 28.75 29.57 1agr h GLU 298 CO -0.11 1.24 -0.20 0.00 -0.73 0.00 0.00 179.01 179.21 1agr h ALA 299 N 0.51 -0.56 -1.11 2.92 0.00 -1.06 -1.85 119.26 118.11 1agr h ALA 299 Ca -0.06 -0.19 0.35 0.00 0.00 0.00 0.00 54.91 55.01 1agr h ALA 299 Cb 1.42 0.22 -0.13 0.00 0.00 0.00 0.00 17.79 19.30 1agr h ALA 299 CO 0.16 -0.65 0.68 0.00 0.00 0.00 0.00 179.25 179.44 1agr h ALA 300 N -0.51 2.27 -0.01 0.00 0.00 -0.99 0.54 119.26 120.55 1agr h ALA 300 Ca -0.06 0.15 -0.21 0.00 0.00 0.00 0.00 54.91 54.79 1agr h ALA 300 Cb 0.56 0.16 -0.00 0.00 0.00 0.00 0.00 17.79 18.50 1agr h ALA 300 CO 0.09 -0.85 -0.89 0.00 0.00 0.00 0.00 179.25 177.60 1agr h ALA 301 N 1.73 0.46 -0.02 0.00 0.00 -1.38 -0.55 119.26 119.50 1agr h ALA 301 Ca 0.74 -0.70 -0.00 0.00 0.00 0.00 0.00 54.91 54.95 1agr h ALA 301 Cb 1.96 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 19.70 1agr h ALA 301 CO -0.50 0.85 0.01 -0.92 0.00 0.00 0.00 179.25 178.69 1agr h TYR 302 N 0.18 0.03 0.01 0.00 3.20 0.88 -0.94 116.97 120.33 1agr h TYR 302 Ca -0.06 -0.00 0.03 0.00 3.14 0.00 0.00 58.73 61.84 1agr h TYR 302 Cb 1.52 -0.01 -0.04 0.00 1.54 0.00 0.00 36.73 39.74 1agr h TYR 302 CO 0.05 0.17 -0.24 0.82 -1.64 0.00 0.00 178.16 177.31 1agr h ILE 303 N -0.12 0.45 -0.95 1.81 2.04 -1.09 0.48 117.51 120.13 1agr h ILE 303 Ca 0.01 0.00 0.22 0.00 1.00 0.00 0.00 64.86 66.09 1agr h ILE 303 Cb 0.15 0.45 -0.12 0.00 -0.74 0.00 0.00 36.82 36.56 1agr h ILE 303 CO -0.00 0.00 0.52 -0.61 0.00 0.00 0.00 178.15 178.06 1agr h GLN 304 N -0.38 0.52 -0.30 2.37 4.15 -0.89 -0.82 115.11 119.76 1agr h GLN 304 Ca 0.06 -0.03 -0.09 0.00 0.77 0.00 0.00 58.65 59.36 1agr h GLN 304 Cb 0.46 -0.12 -0.01 0.00 0.21 0.00 0.00 27.48 28.02 1agr h GLN 304 CO -0.21 0.35 -0.15 0.00 -1.93 0.00 0.00 178.83 176.89 1agr h GLN 306 N 0.38 -0.13 -0.59 0.00 1.08 0.40 0.10 115.11 116.34 1agr h GLN 306 Ca 0.06 0.01 -0.03 0.00 -1.45 0.00 0.00 58.65 57.25 1agr h GLN 306 Cb 0.68 0.03 -0.03 0.00 -0.05 0.00 0.00 27.48 28.11 1agr h GLN 306 CO 0.05 -0.09 0.26 0.74 -0.95 0.00 0.00 178.83 178.84 1agr h PHE 307 N -0.13 0.87 -0.17 2.96 -1.00 -1.22 -3.20 116.94 115.05 1agr h PHE 307 Ca 0.12 -0.05 -0.15 0.00 2.81 0.00 0.00 57.97 60.70 1agr h PHE 307 Cb 0.32 -0.27 -0.01 0.00 3.61 0.00 0.00 35.95 39.61 1agr h PHE 307 CO -0.30 0.68 -0.54 0.93 -1.61 0.00 0.00 178.31 177.47 1agr h GLU 308 N 0.81 0.50 -0.06 1.51 5.08 -0.71 -2.37 114.58 119.35 1agr h GLU 308 Ca 0.20 -0.31 0.02 0.00 -1.00 0.00 0.00 59.36 58.27 1agr h GLU 308 Cb 0.15 0.03 -0.00 0.00 0.50 0.00 0.00 28.75 29.44 1agr h GLU 308 CO -0.02 0.91 0.21 -0.44 -1.00 0.00 0.00 179.01 178.67 1agr h ASP 309 N 0.39 0.00 0.24 1.42 3.32 -0.98 -0.39 116.42 120.41 1agr h ASP 309 Ca 0.01 0.00 -0.02 0.00 0.02 0.00 0.00 57.03 57.04 1agr h ASP 309 Cb 1.06 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 40.61 1agr h ASP 309 CO 0.10 0.00 -0.11 -0.07 -1.72 0.00 0.00 179.24 177.44 1agr h LEU 310 N 0.00 0.00 -9.21 1.55 3.38 -1.48 -3.42 115.31 106.13 1agr h LEU 310 Ca 0.03 0.00 -0.55 0.00 0.09 0.00 0.00 57.88 57.45 1agr h LEU 310 Cb 0.44 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.19 1agr h LEU 310 CO -0.00 0.11 1.22 0.21 0.09 0.00 0.00 178.44 180.07 1agr s ASN 311 N -6.39 6.32 0.00 -0.43 2.47 -0.16 -4.84 114.94 111.92 1agr s ASN 311 Ca -0.04 2.23 0.26 0.00 0.42 0.00 0.00 52.86 55.74 1agr s ASN 311 Cb 0.14 -2.53 0.98 0.00 -1.45 0.00 0.00 41.25 38.40 1agr s ASN 311 CO 0.61 -1.21 1.70 0.29 -3.72 0.00 0.00 177.10 174.76 1agr n LYS 312 N 7.67 1.67 -3.21 0.43 5.02 -1.26 -4.16 118.16 124.32 1agr n LYS 312 Ca 0.21 -0.98 -0.23 0.00 -2.02 0.00 0.00 58.31 55.28 1agr n LYS 312 Cb 0.43 -1.46 -0.06 0.00 -0.02 0.00 0.00 35.03 33.92 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 0.19 1.15 0.19 1.97 1.74 -1.26 -4.93 116.66 115.70 1agr n ARG 313 Ca 0.18 -3.54 0.03 0.00 -0.77 0.00 0.00 57.85 53.76 1agr n ARG 313 Cb 0.34 -1.52 0.36 0.00 -1.02 0.00 0.00 32.46 30.63 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 3.74 0.00 -0.16 5.56 1.57 -1.75 0.92 116.57 126.45 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 0.54 0.39 -0.38 -0.44 -0.57 0.00 0.00 179.45 178.98 1agr h ASP 315 N 0.00 0.36 0.00 0.86 3.32 -1.95 -3.34 116.42 115.67 1agr h ASP 315 Ca -0.00 -0.15 -0.30 0.00 0.02 0.00 0.00 57.03 56.60 1agr h ASP 315 Cb 0.73 -0.10 -0.06 0.00 0.22 0.00 0.00 39.33 40.13 1agr h ASP 315 CO 0.05 0.71 -2.14 0.41 -1.72 0.00 0.00 179.24 176.56 1agr n THR 316 N -4.04 1.14 -4.40 0.35 -1.04 -1.09 -5.01 114.28 100.18 1agr n THR 316 Ca -0.01 -0.53 -0.34 0.00 -2.04 0.00 0.00 64.05 61.13 1agr n THR 316 Cb 0.47 -0.98 -0.12 0.00 -1.82 0.00 0.00 70.33 67.88 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 -2.40 3.57 -0.14 -2.82 2.47 0.32 -5.10 119.74 115.63 1agr s LYS 317 Ca -0.20 -0.51 0.02 0.00 -1.56 0.00 0.00 55.97 53.72 1agr s LYS 317 Cb 0.06 -2.89 0.01 0.00 -1.46 0.00 0.00 37.83 33.55 1agr s LYS 317 CO 0.54 0.31 -0.21 -2.00 0.16 0.00 0.00 175.35 174.15 1agr s GLU 318 N 0.18 2.95 0.15 4.03 2.12 -1.26 -4.28 118.70 122.59 1agr s GLU 318 Ca -0.01 -0.83 -0.23 0.00 0.36 0.00 0.00 54.97 54.26 1agr s GLU 318 Cb -0.14 -2.41 -0.08 0.00 0.26 0.00 0.00 34.13 31.76 1agr s GLU 318 CO 0.03 -0.05 0.72 0.42 -0.54 0.00 0.00 175.26 175.84 1agr s ILE 319 N 0.90 4.49 -0.90 -3.70 1.01 -1.26 -4.45 121.20 117.29 1agr s ILE 319 Ca -0.05 1.52 -0.01 0.00 0.00 0.00 0.00 60.65 62.11 1agr s ILE 319 Cb -0.15 -4.04 0.23 0.00 0.01 0.00 0.00 42.46 38.51 1agr s ILE 319 CO -0.04 0.48 0.82 -1.22 0.00 0.00 0.00 174.94 174.98 1agr n TYR 320 N 1.47 4.11 -2.09 3.97 4.01 -0.44 -4.94 117.16 123.25 1agr n TYR 320 Ca -0.06 -4.06 -0.36 0.00 -0.16 0.00 0.00 57.90 53.26 1agr n TYR 320 Cb 0.50 -1.11 0.02 0.00 -0.31 0.00 0.00 39.34 38.44 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 -1.52 2.78 0.07 -0.72 2.01 -1.26 -1.74 115.64 115.27 1agr s THR 321 Ca 0.29 0.49 -0.15 0.00 0.31 0.00 0.00 61.69 62.63 1agr s THR 321 Cb -0.05 -3.20 0.03 0.00 0.01 0.00 0.00 72.50 69.29 1agr s THR 321 CO -0.11 -0.10 0.34 -1.00 -0.69 0.00 0.00 174.62 173.06 1agr s HIS 322 N -1.64 -0.14 -0.54 4.92 3.76 0.26 -4.87 115.29 117.05 1agr s HIS 322 Ca 0.76 -0.07 0.00 0.00 -0.15 0.00 0.00 55.06 55.61 1agr s HIS 322 Cb -0.29 0.15 0.14 0.00 1.11 0.00 0.00 32.58 33.70 1agr s HIS 322 CO 0.31 -0.58 0.31 -0.06 -0.85 0.00 0.00 174.74 173.87 1agr s PHE 323 N -3.08 3.38 0.33 1.40 0.40 -1.26 -1.00 117.98 118.15 1agr s PHE 323 Ca -0.01 -2.89 0.04 0.00 -0.60 0.00 0.00 56.93 53.47 1agr s PHE 323 Cb 0.01 -3.04 -0.02 0.00 0.51 0.00 0.00 43.02 40.48 1agr s PHE 323 CO -0.07 -0.83 0.48 0.95 0.70 0.00 0.00 175.22 176.46 1agr s THR 324 N 0.07 4.54 -0.37 0.64 -4.23 -0.88 -4.95 115.64 110.46 1agr s THR 324 Ca 0.15 -0.84 0.01 0.00 -1.18 0.00 0.00 61.69 59.83 1agr s THR 324 Cb -0.22 -3.61 0.12 0.00 1.34 0.00 0.00 72.50 70.12 1agr s THR 324 CO -0.03 -0.29 0.16 0.00 -0.54 0.00 0.00 174.62 173.93 1agr h ALA 326 N 7.43 1.33 0.00 0.00 0.00 -1.95 0.44 119.26 126.51 1agr h ALA 326 Ca -0.07 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.84 1agr h ALA 326 Cb 0.97 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.76 1agr h ALA 326 CO 0.46 0.01 0.00 0.25 0.00 0.00 0.00 179.25 179.97 1agr n THR 327 N -3.58 0.32 -3.14 0.00 -2.24 -1.26 -4.55 114.28 99.83 1agr n THR 327 Ca -0.03 -0.05 -0.42 0.00 -2.27 0.00 0.00 64.05 61.27 1agr n THR 327 Cb 0.09 -0.61 -0.07 0.00 -2.10 0.00 0.00 70.33 67.64 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 -3.54 6.34 0.19 3.42 -1.08 0.15 -4.96 116.67 117.20 1agr s ASP 328 Ca 0.12 -0.20 -0.09 0.00 -0.52 0.00 0.00 52.55 51.86 1agr s ASP 328 Cb 0.16 -2.31 0.10 0.00 -1.46 0.00 0.00 42.92 39.41 1agr s ASP 328 CO 0.52 -0.68 1.69 0.74 0.52 0.00 0.00 175.17 177.97 1agr h THR 329 N 5.78 1.26 0.08 1.71 2.02 -1.83 -1.20 112.91 120.73 1agr h THR 329 Ca -0.26 -1.01 -0.00 0.00 0.77 0.00 0.00 66.41 65.90 1agr h THR 329 Cb 1.10 0.61 0.00 0.00 -1.74 0.00 0.00 68.15 68.13 1agr h THR 329 CO 0.85 0.38 -0.04 0.11 0.37 0.00 0.00 175.52 177.20 1agr h LYS 330 N 1.03 -0.10 -0.78 6.66 1.57 -1.94 0.45 116.57 123.46 1agr h LYS 330 Ca 0.21 0.01 0.07 0.00 -1.87 0.00 0.00 60.65 59.07 1agr h LYS 330 Cb 0.42 0.02 -0.06 0.00 0.08 0.00 0.00 32.23 32.69 1agr h LYS 330 CO 0.01 0.07 0.45 -0.97 -0.57 0.00 0.00 179.45 178.44 1agr h ASN 331 N -0.25 0.68 -0.11 0.86 -0.73 -1.85 0.24 115.58 114.42 1agr h ASN 331 Ca -0.01 0.03 -0.06 0.00 1.87 0.00 0.00 56.30 58.14 1agr h ASN 331 Cb 0.21 -0.10 -0.00 0.00 0.27 0.00 0.00 38.32 38.70 1agr h ASN 331 CO 0.02 0.42 -0.14 0.58 -0.37 0.00 0.00 177.43 177.93 1agr h VAL 332 N 0.81 1.37 -0.30 2.57 2.07 -0.83 0.57 116.25 122.51 1agr h VAL 332 Ca 0.35 -1.35 0.05 0.00 0.82 0.00 0.00 66.70 66.58 1agr h VAL 332 Cb 0.24 1.99 -0.05 0.00 -1.52 0.00 0.00 31.29 31.95 1agr h VAL 332 CO -0.20 0.39 -0.03 -0.61 0.02 0.00 0.00 177.57 177.14 1agr h GLN 333 N -0.11 0.05 0.40 1.57 4.15 0.12 0.36 115.11 121.64 1agr h GLN 333 Ca 0.01 -0.00 -0.01 0.00 0.77 0.00 0.00 58.65 59.43 1agr h GLN 333 Cb 0.69 -0.01 -0.03 0.00 0.21 0.00 0.00 27.48 28.34 1agr h GLN 333 CO 0.03 0.04 -0.46 0.35 -1.93 0.00 0.00 178.83 176.86 1agr h PHE 334 N 0.06 -1.29 0.00 3.99 3.57 -0.81 -2.17 116.94 120.29 1agr h PHE 334 Ca 0.14 0.01 -0.00 0.00 3.53 0.00 0.00 57.97 61.65 1agr h PHE 334 Cb 0.20 0.51 -0.00 0.00 2.79 0.00 0.00 35.95 39.45 1agr h PHE 334 CO -0.24 -0.61 -0.01 0.28 -2.23 0.00 0.00 178.31 175.49 1agr h VAL 335 N -0.89 0.72 -0.06 1.41 2.07 -0.38 -2.61 116.25 116.50 1agr h VAL 335 Ca -0.04 -0.03 -0.24 0.00 0.82 0.00 0.00 66.70 67.21 1agr h VAL 335 Cb 0.80 1.02 0.01 0.00 -1.52 0.00 0.00 31.29 31.60 1agr h VAL 335 CO -0.10 0.01 -0.90 0.15 0.02 0.00 0.00 177.57 176.74 1agr h PHE 336 N 0.00 0.94 -0.05 1.57 3.57 0.34 0.22 116.94 123.53 1agr h PHE 336 Ca -0.00 -0.47 0.03 0.00 3.53 0.00 0.00 57.97 61.06 1agr h PHE 336 Cb 0.02 -0.13 -0.04 0.00 2.79 0.00 0.00 35.95 38.60 1agr h PHE 336 CO 0.00 1.29 -0.15 -0.44 -2.23 0.00 0.00 178.31 176.78 1agr h ASP 337 N 0.41 -0.45 -0.78 0.41 3.32 -1.09 0.47 116.42 118.72 1agr h ASP 337 Ca -0.09 0.07 0.14 0.00 0.02 0.00 0.00 57.03 57.18 1agr h ASP 337 Cb 1.54 0.20 -0.09 0.00 0.22 0.00 0.00 39.33 41.19 1agr h ASP 337 CO 0.18 -0.20 0.34 0.00 -1.72 0.00 0.00 179.24 177.83 1agr h ALA 338 N 0.76 1.12 0.14 3.45 0.00 -1.38 -0.34 119.26 123.00 1agr h ALA 338 Ca 0.07 0.11 -0.01 0.00 0.00 0.00 0.00 54.91 55.08 1agr h ALA 338 Cb 0.32 0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.17 1agr h ALA 338 CO -0.18 -0.18 -0.07 0.28 0.00 0.00 0.00 179.25 179.10 1agr h VAL 339 N 0.49 1.01 -0.98 0.00 2.07 0.15 -3.04 116.25 115.95 1agr h VAL 339 Ca 0.43 -0.77 0.03 0.00 0.82 0.00 0.00 66.70 67.20 1agr h VAL 339 Cb 0.63 1.47 -0.05 0.00 -1.52 0.00 0.00 31.29 31.82 1agr h VAL 339 CO -0.39 0.18 0.64 0.71 0.02 0.00 0.00 177.57 178.73 1agr h THR 340 N -0.57 1.20 -0.89 2.57 1.35 0.12 -1.41 112.91 115.29 1agr h THR 340 Ca -0.02 -0.44 0.10 0.00 -0.55 0.00 0.00 66.41 65.51 1agr h THR 340 Cb 0.44 -0.18 -0.08 0.00 -1.73 0.00 0.00 68.15 66.60 1agr h THR 340 CO 0.03 0.23 0.52 0.44 -0.25 0.00 0.00 175.52 176.50 1agr h ASP 341 N 1.27 0.75 0.37 5.36 3.32 -1.05 0.24 116.42 126.68 1agr h ASP 341 Ca 0.38 0.05 -0.12 0.00 0.02 0.00 0.00 57.03 57.35 1agr h ASP 341 Cb -0.06 -0.10 -0.01 0.00 0.22 0.00 0.00 39.33 39.38 1agr h ASP 341 CO -0.11 0.42 -0.51 0.58 -1.72 0.00 0.00 179.24 177.90 1agr h VAL 342 N 0.85 1.36 0.36 -1.35 2.07 -1.21 -0.23 116.25 118.11 1agr h VAL 342 Ca 0.43 -1.77 -0.02 0.00 0.82 0.00 0.00 66.70 66.17 1agr h VAL 342 Cb 0.41 1.88 0.00 0.00 -1.52 0.00 0.00 31.29 32.07 1agr h VAL 342 CO -0.26 0.52 -0.17 0.40 0.02 0.00 0.00 177.57 178.08 1agr h ILE 343 N 0.13 0.35 -0.87 4.57 2.04 0.02 -1.68 117.51 122.08 1agr h ILE 343 Ca 0.00 -0.70 -0.01 0.00 1.00 0.00 0.00 64.86 65.15 1agr h ILE 343 Cb 0.95 0.56 -0.04 0.00 -0.74 0.00 0.00 36.82 37.55 1agr h ILE 343 CO 0.08 0.08 0.49 -0.29 0.00 0.00 0.00 178.15 178.50 1agr h ILE 344 N -1.01 1.25 0.03 -0.67 6.09 -0.66 0.21 117.51 122.74 1agr h ILE 344 Ca -0.05 -0.60 0.00 0.00 -1.37 0.00 0.00 64.86 62.84 1agr h ILE 344 Cb 0.50 0.06 -0.01 0.00 0.47 0.00 0.00 36.82 37.85 1agr h ILE 344 CO 0.08 0.28 -0.05 0.11 -3.07 0.00 0.00 178.15 175.50 1agr h LYS 345 N 1.21 -0.09 -0.77 2.19 1.57 -1.11 0.12 116.57 119.68 1agr h LYS 345 Ca 0.31 0.01 -0.00 0.00 -1.87 0.00 0.00 60.65 59.09 1agr h LYS 345 Cb 0.01 0.02 -0.04 0.00 0.08 0.00 0.00 32.23 32.30 1agr h LYS 345 CO -0.05 -0.06 0.46 -0.91 -0.57 0.00 0.00 179.45 178.32 1agr h ASN 346 N -0.09 0.92 0.75 0.86 2.35 -0.87 0.53 115.58 120.03 1agr h ASN 346 Ca 0.01 -0.05 -0.03 0.00 -0.55 0.00 0.00 56.30 55.67 1agr h ASN 346 Cb 0.10 -0.23 0.00 0.00 0.05 0.00 0.00 38.32 38.24 1agr h ASN 346 CO -0.03 0.71 -0.40 0.78 -1.65 0.00 0.00 177.43 176.84 1agr h ASN 347 N 1.06 -0.98 -0.38 5.81 2.35 -0.16 -0.70 115.58 122.58 1agr h ASN 347 Ca 0.28 0.05 0.08 0.00 -0.55 0.00 0.00 56.30 56.15 1agr h ASN 347 Cb -0.04 0.27 -0.08 0.00 0.05 0.00 0.00 38.32 38.52 1agr h ASN 347 CO -0.05 -0.65 -0.12 -0.07 -1.65 0.00 0.00 177.43 174.88 1agr h LEU 348 N -1.06 -0.43 -1.50 1.61 3.38 -0.44 0.14 115.31 117.00 1agr h LEU 348 Ca -0.10 0.12 0.14 0.00 0.09 0.00 0.00 57.88 58.13 1agr h LEU 348 Cb 0.83 0.27 -0.05 0.00 0.09 0.00 0.00 40.66 41.80 1agr h LEU 348 CO 0.14 -0.16 0.51 0.11 0.09 0.00 0.00 178.44 179.13 1agr h LYS 349 N -0.04 0.49 0.09 1.13 1.57 0.23 0.33 116.57 120.37 1agr h LYS 349 Ca 0.19 -0.03 -0.00 0.00 -1.87 0.00 0.00 60.65 58.93 1agr h LYS 349 Cb 0.32 -0.11 0.00 0.00 0.08 0.00 0.00 32.23 32.52 1agr h LYS 349 CO -0.42 0.33 -0.04 -0.44 -0.57 0.00 0.00 179.45 178.31 1agr h ASP 350 N 0.51 -0.10 0.00 0.86 3.32 0.79 -2.36 116.42 119.42 1agr h ASP 350 Ca 0.38 -0.48 0.00 0.00 0.02 0.00 0.00 57.03 56.94 1agr h ASP 350 Cb 0.75 0.03 0.00 0.00 0.22 0.00 0.00 39.33 40.33 1agr h ASP 350 CO -0.13 0.50 0.07 0.00 -1.72 0.00 0.00 179.24 177.96 1agr n GLY 352 N -1.31 0.15 1.86 0.00 0.00 0.99 -4.95 105.19 101.94 1agr n GLY 352 Ca -0.01 -0.66 -0.18 0.00 0.00 0.00 0.00 46.02 45.17 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 -0.79 4.33 -0.15 0.99 4.77 -0.25 -5.00 117.00 120.90 1agr n LEU 353 Ca -0.07 -4.48 0.15 0.00 -0.03 0.00 0.00 56.01 51.59 1agr n LEU 353 Cb 0.55 -0.31 0.81 0.00 -2.33 0.00 0.00 43.42 42.14 1agr n LEU 353 CO 0.08 1.92 1.03 0.33 -1.33 0.00 0.00 177.39 179.41