#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1uiy s GLN 3 N 0.00 3.06 -0.17 7.34 -0.21 -0.46 -4.91 119.66 124.32 1uiy s GLN 3 Ca 0.00 -0.53 0.01 0.00 0.02 0.00 0.00 55.36 54.86 1uiy s GLN 3 Cb 0.00 -2.70 0.03 0.00 1.00 0.00 0.00 33.01 31.33 1uiy s GLN 3 CO 0.00 0.54 -0.15 0.08 -2.12 0.00 0.00 175.29 173.64 1uiy s VAL 4 N -0.45 1.73 -0.69 1.09 1.01 -1.26 -0.50 120.40 121.32 1uiy s VAL 4 Ca 0.07 -0.80 -0.14 0.00 0.00 0.00 0.00 61.98 61.11 1uiy s VAL 4 Cb -0.12 -1.64 0.18 0.00 0.00 0.00 0.00 36.38 34.80 1uiy s VAL 4 CO 0.02 0.42 0.62 -1.61 0.00 0.00 0.00 175.10 174.55 1uiy s GLU 5 N 1.41 3.23 0.86 2.72 2.02 -0.31 -4.96 118.70 123.67 1uiy s GLU 5 Ca 0.04 -2.16 -0.13 0.00 0.02 0.00 0.00 54.97 52.74 1uiy s GLU 5 Cb -0.14 -4.30 0.08 0.00 0.10 0.00 0.00 34.13 29.88 1uiy s GLU 5 CO -0.11 -1.29 0.95 1.63 0.02 0.00 0.00 175.26 176.46 1uiy n LYS 6 N 4.44 -0.10 0.00 1.61 5.02 -1.26 -2.34 118.16 125.53 1uiy n LYS 6 Ca 0.02 0.04 0.00 0.00 -2.02 0.00 0.00 58.31 56.35 1uiy n LYS 6 Cb 0.43 -2.23 0.00 0.00 -0.02 0.00 0.00 35.03 33.21 1uiy n LYS 6 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1uiy n GLY 7 N 0.79 2.21 0.33 0.72 0.00 -1.26 -4.84 105.19 103.13 1uiy n GLY 7 Ca 0.11 -1.13 0.14 0.00 0.00 0.00 0.00 46.02 45.15 1uiy n GLY 7 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 173.32 173.77 1uiy h HIS 8 N 0.00 0.81 -3.51 1.61 3.86 -1.92 -2.76 115.15 113.23 1uiy h HIS 8 Ca 0.00 0.04 -0.70 0.00 -1.16 0.00 0.00 60.37 58.55 1uiy h HIS 8 Cb 0.00 -0.21 -0.35 0.00 1.06 0.00 0.00 27.41 27.91 1uiy h HIS 8 CO 0.00 0.03 -0.45 0.08 0.86 0.00 0.00 177.93 178.45 1uiy s VAL 9 N -5.86 3.52 0.63 2.45 1.01 -1.26 0.70 120.40 121.60 1uiy s VAL 9 Ca -0.11 -2.56 -0.15 0.00 0.00 0.00 0.00 61.98 59.16 1uiy s VAL 9 Cb 0.25 -3.35 -0.02 0.00 0.00 0.00 0.00 36.38 33.27 1uiy s VAL 9 CO 0.79 -0.80 1.07 0.00 0.00 0.00 0.00 175.10 176.16 1uiy s ALA 10 N 0.47 2.63 -0.06 5.51 0.00 0.29 -4.81 121.76 125.79 1uiy s ALA 10 Ca 0.13 0.39 0.01 0.00 0.00 0.00 0.00 51.96 52.49 1uiy s ALA 10 Cb -0.22 -3.25 0.02 0.00 0.00 0.00 0.00 23.12 19.67 1uiy s ALA 10 CO -0.04 -1.04 -0.07 0.08 0.00 0.00 0.00 175.76 174.69 1uiy s VAL 11 N -2.52 0.77 -0.15 0.00 1.01 -0.99 0.62 120.40 119.15 1uiy s VAL 11 Ca 0.64 -0.23 -0.01 0.00 0.00 0.00 0.00 61.98 62.37 1uiy s VAL 11 Cb -0.17 -0.77 -0.01 0.00 0.00 0.00 0.00 36.38 35.42 1uiy s VAL 11 CO 0.41 0.29 -0.11 -0.69 0.00 0.00 0.00 175.10 175.01 1uiy s VAL 12 N 1.05 3.17 -0.15 2.92 1.01 -0.52 -1.16 120.40 126.72 1uiy s VAL 12 Ca -0.08 -0.61 -0.03 0.00 0.00 0.00 0.00 61.98 61.26 1uiy s VAL 12 Cb -0.14 -2.36 -0.03 0.00 0.00 0.00 0.00 36.38 33.85 1uiy s VAL 12 CO -0.00 0.50 -0.04 -0.36 0.00 0.00 0.00 175.10 175.20 1uiy s PHE 13 N 0.58 3.02 -0.46 5.22 0.40 0.34 -1.21 117.98 125.88 1uiy s PHE 13 Ca -0.07 -0.26 -0.29 0.00 -0.60 0.00 0.00 56.93 55.72 1uiy s PHE 13 Cb -0.15 -1.93 0.02 0.00 0.51 0.00 0.00 43.02 41.46 1uiy s PHE 13 CO 0.03 0.01 1.31 -0.51 0.70 0.00 0.00 175.22 176.76 1uiy s LEU 14 N 0.22 3.57 -0.88 -0.37 1.02 -0.60 -1.35 118.68 120.30 1uiy s LEU 14 Ca -0.02 0.61 -0.15 0.00 0.02 0.00 0.00 54.13 54.58 1uiy s LEU 14 Cb -0.14 -3.48 0.19 0.00 0.02 0.00 0.00 46.19 42.79 1uiy s LEU 14 CO 0.03 -1.41 0.91 0.21 0.02 0.00 0.00 176.35 176.11 1uiy s ASN 15 N 3.46 6.75 -0.21 2.29 3.04 -1.26 -2.02 114.94 126.99 1uiy s ASN 15 Ca 0.55 -2.52 0.08 0.00 0.04 0.00 0.00 52.86 51.01 1uiy s ASN 15 Cb -0.11 -2.28 0.25 0.00 -1.54 0.00 0.00 41.25 37.58 1uiy s ASN 15 CO 0.31 -0.72 1.14 -0.67 -3.04 0.00 0.00 177.10 174.12 1uiy n ASP 16 N 4.79 -0.90 -0.02 -4.21 -0.08 -1.26 -4.68 116.55 110.20 1uiy n ASP 16 Ca 0.18 -1.75 -0.00 0.00 -1.51 0.00 0.00 54.79 51.71 1uiy n ASP 16 Cb 0.47 0.42 -0.00 0.00 2.34 0.00 0.00 41.12 44.35 1uiy n ASP 16 CO 0.00 0.00 0.00 -2.65 0.12 0.00 0.00 177.20 174.67 1uiy n PRO 17 N -0.96 -0.02 0.05 -0.67 -0.02 -1.22 -1.21 135.00 130.95 1uiy n PRO 17 Ca -0.11 0.45 0.05 0.00 -2.02 0.00 0.00 63.50 61.87 1uiy n PRO 17 Cb 0.73 -0.67 0.47 0.00 -0.02 0.00 0.00 33.50 34.01 1uiy n PRO 17 CO 0.00 0.00 0.00 0.93 1.98 0.00 0.00 175.50 178.41 1uiy h GLU 18 N 0.00 0.43 0.00 -0.52 3.07 -1.98 0.25 114.58 115.82 1uiy h GLU 18 Ca 0.01 -0.03 0.00 0.00 -0.50 0.00 0.00 59.36 58.84 1uiy h GLU 18 Cb 0.02 -0.10 0.00 0.00 -0.84 0.00 0.00 28.75 27.83 1uiy h GLU 18 CO -0.04 0.28 0.00 -0.09 -1.40 0.00 0.00 179.01 177.76 1uiy h ARG 19 N 0.44 0.00 0.00 2.33 2.43 -1.65 -3.47 114.38 114.47 1uiy h ARG 19 Ca 0.12 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.29 1uiy h ARG 19 Cb -0.04 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.51 1uiy h ARG 19 CO -0.03 0.00 0.00 0.54 -1.51 0.00 0.00 179.97 178.97 1uiy n ARG 20 N -2.75 0.00 -3.25 0.20 1.74 0.86 -4.50 116.66 108.96 1uiy n ARG 20 Ca 0.04 0.06 -0.14 0.00 -0.77 0.00 0.00 57.85 57.03 1uiy n ARG 20 Cb 0.42 -2.90 0.06 0.00 -1.02 0.00 0.00 32.46 29.02 1uiy n ARG 20 CO 0.00 0.00 0.00 0.09 -1.52 0.00 0.00 177.63 176.20 1uiy n ASN 21 N 1.63 -6.70 -4.77 0.55 5.03 -0.94 -2.30 115.26 107.77 1uiy n ASN 21 Ca 0.00 -0.67 -0.39 0.00 0.87 0.00 0.00 54.58 54.39 1uiy n ASN 21 Cb 0.35 -5.14 -0.04 0.00 -1.02 0.00 0.00 39.78 33.93 1uiy n ASN 21 CO 0.00 0.00 0.00 -2.84 -1.83 0.00 0.00 177.26 172.59 1uiy s PRO 22 N -4.34 4.32 0.00 3.52 0.02 -1.26 -4.16 135.00 133.10 1uiy s PRO 22 Ca 0.42 1.73 -0.06 0.00 0.02 0.00 0.00 61.00 63.11 1uiy s PRO 22 Cb -0.06 -2.84 -0.26 0.00 0.02 0.00 0.00 34.50 31.36 1uiy s PRO 22 CO 0.75 -0.06 3.59 1.28 -0.33 0.00 0.00 177.00 182.23 1uiy n LEU 23 N 0.47 5.23 -4.71 -5.54 4.77 -1.26 -4.83 117.00 111.13 1uiy n LEU 23 Ca 0.02 -3.16 -0.32 0.00 -0.03 0.00 0.00 56.01 52.52 1uiy n LEU 23 Cb 0.47 -1.41 0.13 0.00 -2.33 0.00 0.00 43.42 40.27 1uiy n LEU 23 CO 0.50 1.68 0.73 -0.94 -1.33 0.00 0.00 177.39 178.03 1uiy s SER 24 N 2.00 3.63 0.27 -1.43 1.04 -1.26 -4.58 113.70 113.38 1uiy s SER 24 Ca 0.65 2.20 0.00 0.00 0.48 0.00 0.00 55.95 59.29 1uiy s SER 24 Cb 0.31 -2.57 0.63 0.00 0.10 0.00 0.00 66.02 64.50 1uiy s SER 24 CO 0.00 -2.63 1.67 -0.65 0.98 0.00 0.00 173.24 172.60 1uiy h PRO 25 N -1.17 0.25 -0.04 4.02 0.11 -2.02 0.15 132.00 133.31 1uiy h PRO 25 Ca -0.45 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.65 1uiy h PRO 25 Cb 1.27 -0.06 0.00 0.00 0.11 0.00 0.00 31.00 32.33 1uiy h PRO 25 CO 0.46 0.17 0.00 0.39 -0.21 0.00 0.00 178.00 178.81 1uiy n GLU 26 N -5.18 0.04 0.00 1.05 1.02 -1.26 -1.40 120.64 114.91 1uiy n GLU 26 Ca 0.19 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.33 1uiy n GLU 26 Cb 0.61 -1.02 0.00 0.00 -0.02 0.00 0.00 31.44 31.01 1uiy n GLU 26 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1uiy n ALA 28 N 0.39 0.00 -0.10 0.62 0.00 0.53 -1.32 120.51 120.63 1uiy n ALA 28 Ca 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 53.44 53.33 1uiy n ALA 28 Cb 0.01 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.43 1uiy n ALA 28 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 1uiy h LEU 29 N 0.00 0.54 -1.08 0.00 3.38 -1.48 -2.44 115.31 114.23 1uiy h LEU 29 Ca 0.00 -0.32 0.00 0.00 0.09 0.00 0.00 57.88 57.65 1uiy h LEU 29 Cb 0.00 -0.15 -0.04 0.00 0.09 0.00 0.00 40.66 40.56 1uiy h LEU 29 CO 0.00 0.73 0.57 0.77 0.09 0.00 0.00 178.44 180.60 1uiy h SER 30 N 0.34 1.04 -0.36 -0.43 4.64 -1.47 -1.64 113.55 115.66 1uiy h SER 30 Ca 0.09 -0.04 -0.05 0.00 -0.47 0.00 0.00 61.79 61.32 1uiy h SER 30 Cb 0.46 -0.26 -0.02 0.00 -0.31 0.00 0.00 62.40 62.26 1uiy h SER 30 CO 0.02 0.78 0.08 0.25 -0.87 0.00 0.00 176.83 177.09 1uiy h LEU 31 N 1.22 0.62 0.31 5.97 5.85 -1.79 -2.54 115.31 124.95 1uiy h LEU 31 Ca 0.32 -0.11 -0.01 0.00 0.84 0.00 0.00 57.88 58.92 1uiy h LEU 31 Cb -0.10 -0.16 0.00 0.00 0.37 0.00 0.00 40.66 40.77 1uiy h LEU 31 CO -0.07 0.64 -0.15 -0.07 -0.34 0.00 0.00 178.44 178.46 1uiy h LEU 32 N 0.65 -0.35 -0.97 2.25 3.38 -0.84 -2.42 115.31 117.01 1uiy h LEU 32 Ca 0.14 -0.17 0.28 0.00 0.09 0.00 0.00 57.88 58.23 1uiy h LEU 32 Cb 0.28 0.09 -0.14 0.00 0.09 0.00 0.00 40.66 40.98 1uiy h LEU 32 CO 0.00 0.00 0.50 -0.61 0.09 0.00 0.00 178.44 178.43 1uiy h GLN 33 N -0.74 0.36 0.56 1.13 5.75 -1.20 0.50 115.11 121.47 1uiy h GLN 33 Ca -0.04 -0.02 -0.03 0.00 -0.15 0.00 0.00 58.65 58.41 1uiy h GLN 33 Cb 0.50 -0.08 0.01 0.00 1.07 0.00 0.00 27.48 28.97 1uiy h GLN 33 CO 0.07 0.24 -0.27 0.00 -2.65 0.00 0.00 178.83 176.22 1uiy h ALA 34 N 1.80 -0.75 -1.03 3.38 0.00 -1.33 -2.39 119.26 118.94 1uiy h ALA 34 Ca 0.67 -0.20 0.27 0.00 0.00 0.00 0.00 54.91 55.65 1uiy h ALA 34 Cb 1.42 0.29 -0.07 0.00 0.00 0.00 0.00 17.79 19.43 1uiy h ALA 34 CO -0.58 -0.83 0.69 -0.07 0.00 0.00 0.00 179.25 178.46 1uiy h LEU 35 N -0.94 0.28 0.54 0.00 3.38 -0.46 0.27 115.31 118.38 1uiy h LEU 35 Ca -0.08 0.05 -0.03 0.00 0.09 0.00 0.00 57.88 57.91 1uiy h LEU 35 Cb 0.64 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.39 1uiy h LEU 35 CO 0.13 0.07 -0.26 0.44 0.09 0.00 0.00 178.44 178.91 1uiy h ASP 36 N 0.26 -0.61 0.01 -0.43 5.19 -0.95 0.17 116.42 120.06 1uiy h ASP 36 Ca 0.54 -0.04 0.02 0.00 -0.62 0.00 0.00 57.03 56.94 1uiy h ASP 36 Cb 1.63 0.16 -0.06 0.00 0.18 0.00 0.00 39.33 41.25 1uiy h ASP 36 CO -0.18 -0.22 -0.50 0.44 -3.12 0.00 0.00 179.24 175.67 1uiy h ASP 37 N -1.09 -1.52 -0.65 6.45 3.45 -0.69 -0.30 116.42 122.07 1uiy h ASP 37 Ca -0.07 0.17 0.17 0.00 0.43 0.00 0.00 57.03 57.73 1uiy h ASP 37 Cb 0.61 0.58 -0.03 0.00 -0.56 0.00 0.00 39.33 39.93 1uiy h ASP 37 CO 0.12 -0.51 0.45 -0.07 -1.57 0.00 0.00 179.24 177.67 1uiy h LEU 38 N -0.65 0.09 -0.53 1.55 3.38 -0.56 0.34 115.31 118.94 1uiy h LEU 38 Ca 0.02 0.01 -0.11 0.00 0.09 0.00 0.00 57.88 57.89 1uiy h LEU 38 Cb 0.71 -0.01 -0.02 0.00 0.09 0.00 0.00 40.66 41.43 1uiy h LEU 38 CO -0.34 0.05 -0.52 -0.08 0.09 0.00 0.00 178.44 177.64 1uiy h GLU 39 N 0.10 0.00 -0.00 1.13 4.81 0.96 -3.10 114.58 118.48 1uiy h GLU 39 Ca 0.31 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.54 1uiy h GLU 39 Cb 1.09 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.47 1uiy h GLU 39 CO -0.03 0.52 -0.30 0.00 -0.73 0.00 0.00 179.01 178.46 1uiy n ALA 40 N -2.29 3.15 -2.79 2.92 0.00 0.11 -4.77 120.51 116.83 1uiy n ALA 40 Ca 0.00 -0.35 -0.44 0.00 0.00 0.00 0.00 53.44 52.66 1uiy n ALA 40 Cb 0.64 -1.17 -0.06 0.00 0.00 0.00 0.00 19.45 18.86 1uiy n ALA 40 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1uiy s ASP 41 N -2.68 6.23 0.00 0.00 3.68 -0.47 -4.91 116.67 118.52 1uiy s ASP 41 Ca 0.20 -0.89 0.00 0.00 2.13 0.00 0.00 52.55 54.00 1uiy s ASP 41 Cb 0.19 -2.32 0.00 0.00 -1.45 0.00 0.00 42.92 39.34 1uiy s ASP 41 CO 0.57 -0.99 0.90 -0.81 0.13 0.00 0.00 175.17 174.97 1uiy n PRO 42 N 6.46 0.00 0.06 4.34 -0.04 -1.26 -0.62 135.00 143.93 1uiy n PRO 42 Ca -0.05 0.40 0.04 0.00 -0.04 0.00 0.00 63.50 63.85 1uiy n PRO 42 Cb 0.45 -1.57 -0.05 0.00 -0.04 0.00 0.00 33.50 32.30 1uiy n PRO 42 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1uiy n GLY 43 N -1.40 -1.29 3.66 0.55 0.00 -1.26 -4.83 105.19 100.61 1uiy n GLY 43 Ca 0.00 -0.16 -0.42 0.00 0.00 0.00 0.00 46.02 45.45 1uiy n GLY 43 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1uiy s VAL 44 N -3.08 4.86 -0.02 1.61 1.01 0.21 -3.71 120.40 121.27 1uiy s VAL 44 Ca -0.02 1.61 0.12 0.00 0.00 0.00 0.00 61.98 63.69 1uiy s VAL 44 Cb 0.09 -4.13 -0.19 0.00 0.00 0.00 0.00 36.38 32.15 1uiy s VAL 44 CO 0.80 -0.02 0.27 0.54 0.00 0.00 0.00 175.10 176.69 1uiy n ARG 45 N 5.58 0.40 -3.69 2.72 5.12 0.22 -4.91 116.66 122.10 1uiy n ARG 45 Ca 0.05 -0.11 -0.10 0.00 -1.93 0.00 0.00 57.85 55.76 1uiy n ARG 45 Cb 0.48 -1.29 -0.05 0.00 -1.16 0.00 0.00 32.46 30.44 1uiy n ARG 45 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1uiy s ALA 46 N -2.84 -0.78 -0.12 7.54 0.00 -0.68 -4.22 121.76 120.67 1uiy s ALA 46 Ca -0.04 -0.12 -0.02 0.00 0.00 0.00 0.00 51.96 51.78 1uiy s ALA 46 Cb 0.08 0.58 0.04 0.00 0.00 0.00 0.00 23.12 23.82 1uiy s ALA 46 CO 0.51 -0.58 -0.00 0.08 0.00 0.00 0.00 175.76 175.77 1uiy s VAL 47 N -3.57 0.55 0.23 0.00 1.01 -0.71 -0.55 120.40 117.36 1uiy s VAL 47 Ca 0.02 -0.17 -0.10 0.00 0.00 0.00 0.00 61.98 61.73 1uiy s VAL 47 Cb 0.02 -0.79 -0.07 0.00 0.00 0.00 0.00 36.38 35.54 1uiy s VAL 47 CO -0.10 0.13 0.56 -0.69 0.00 0.00 0.00 175.10 175.00 1uiy s VAL 48 N 1.89 4.92 -0.06 2.92 1.01 0.20 -1.32 120.40 129.97 1uiy s VAL 48 Ca 0.03 0.49 0.00 0.00 0.00 0.00 0.00 61.98 62.51 1uiy s VAL 48 Cb -0.14 -3.62 0.02 0.00 0.00 0.00 0.00 36.38 32.65 1uiy s VAL 48 CO -0.07 -0.07 -0.04 -0.22 0.00 0.00 0.00 175.10 174.71 1uiy s LEU 49 N -2.81 1.18 0.00 3.92 0.20 0.11 -1.44 118.68 119.85 1uiy s LEU 49 Ca 0.47 -0.14 -0.00 0.00 0.69 0.00 0.00 54.13 55.15 1uiy s LEU 49 Cb -0.11 -0.49 0.00 0.00 -0.43 0.00 0.00 46.19 45.16 1uiy s LEU 49 CO 0.21 -0.08 0.47 1.07 -0.29 0.00 0.00 176.35 177.72 1uiy n THR 50 N 4.33 0.00 -4.49 3.68 5.66 -0.35 0.60 114.28 123.71 1uiy n THR 50 Ca -0.20 -1.91 -0.29 0.00 -3.05 0.00 0.00 64.05 58.60 1uiy n THR 50 Cb 0.51 1.13 -0.13 0.00 -1.55 0.00 0.00 70.33 70.29 1uiy n THR 50 CO 0.00 0.00 0.00 -0.83 -3.05 0.00 0.00 175.07 171.19 1uiy s GLY 51 N -3.23 1.57 -0.32 1.09 0.00 -1.26 -1.56 107.32 103.61 1uiy s GLY 51 Ca 0.31 -1.39 -0.21 0.00 0.00 0.00 0.00 44.72 43.44 1uiy s GLY 51 CO 0.22 -1.34 0.66 0.50 0.00 0.00 0.00 173.10 173.14 1uiy s ARG 52 N -1.87 3.84 0.00 2.90 1.81 -0.85 -4.82 118.95 119.96 1uiy s ARG 52 Ca 0.14 0.27 0.00 0.00 -1.72 0.00 0.00 55.73 54.43 1uiy s ARG 52 Cb -0.10 -3.75 0.00 0.00 -0.45 0.00 0.00 34.95 30.65 1uiy s ARG 52 CO 0.06 -0.64 0.00 0.41 -0.68 0.00 0.00 175.30 174.45 1uiy n GLY 53 N 4.47 0.70 0.06 -3.53 0.00 -1.26 -3.40 105.19 102.22 1uiy n GLY 53 Ca -0.00 -2.13 0.13 0.00 0.00 0.00 0.00 46.02 44.01 1uiy n GLY 53 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1uiy n LYS 54 N 0.00 0.14 -4.49 1.61 5.02 -1.26 -4.85 118.16 114.33 1uiy n LYS 54 Ca 0.00 0.18 -0.24 0.00 -2.02 0.00 0.00 58.31 56.23 1uiy n LYS 54 Cb 0.00 -1.69 -0.09 0.00 -0.02 0.00 0.00 35.03 33.24 1uiy n LYS 54 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1uiy s ALA 55 N -3.09 2.75 -0.21 7.82 0.00 -1.26 -4.01 121.76 123.75 1uiy s ALA 55 Ca 0.10 -1.43 -0.16 0.00 0.00 0.00 0.00 51.96 50.47 1uiy s ALA 55 Cb 0.14 0.74 -0.12 0.00 0.00 0.00 0.00 23.12 23.88 1uiy s ALA 55 CO 0.51 -0.34 -0.13 0.34 0.00 0.00 0.00 175.76 176.14 1uiy n PHE 56 N -0.84 0.51 -3.15 0.00 7.35 -0.46 -4.31 117.46 116.57 1uiy n PHE 56 Ca -0.05 0.22 0.05 0.00 -0.76 0.00 0.00 57.45 56.92 1uiy n PHE 56 Cb 0.65 -0.91 -0.01 0.00 0.35 0.00 0.00 39.48 39.56 1uiy n PHE 56 CO 0.00 0.00 0.00 0.45 -0.76 0.00 0.00 176.76 176.45 1uiy s SER 57 N -6.71 -0.44 -0.35 -2.13 0.15 -0.84 -4.33 113.70 99.04 1uiy s SER 57 Ca -0.30 0.18 -0.05 0.00 0.70 0.00 0.00 55.95 56.48 1uiy s SER 57 Cb 0.08 1.33 0.19 0.00 -1.71 0.00 0.00 66.02 65.91 1uiy s SER 57 CO 0.47 -0.08 0.96 0.00 1.20 0.00 0.00 173.24 175.78 1uiy s ALA 58 N 2.95 -3.97 -0.29 5.45 0.00 -0.97 -1.46 121.76 123.47 1uiy s ALA 58 Ca 0.09 1.00 0.01 0.00 0.00 0.00 0.00 51.96 53.06 1uiy s ALA 58 Cb -0.07 -2.95 0.19 0.00 0.00 0.00 0.00 23.12 20.29 1uiy s ALA 58 CO -0.15 -2.43 0.69 0.20 0.00 0.00 0.00 175.76 174.06 1uiy s GLY 59 N 1.88 -1.12 -0.47 0.00 0.00 -1.26 -4.84 107.32 101.51 1uiy s GLY 59 Ca 0.15 1.46 -0.46 0.00 0.00 0.00 0.00 44.72 45.88 1uiy s GLY 59 CO -0.13 3.72 1.67 0.00 0.00 0.00 0.00 173.10 178.36 1uiy n ALA 60 N 5.37 -1.04 -2.71 3.20 0.00 -1.26 -4.57 120.51 119.50 1uiy n ALA 60 Ca 0.04 0.45 -0.43 0.00 0.00 0.00 0.00 53.44 53.51 1uiy n ALA 60 Cb 0.54 -1.98 -0.02 0.00 0.00 0.00 0.00 19.45 17.99 1uiy n ALA 60 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1uiy s ASP 61 N 3.39 6.68 0.49 0.00 -1.08 -1.26 -4.80 116.67 120.08 1uiy s ASP 61 Ca 1.06 -2.03 0.23 0.00 -0.52 0.00 0.00 52.55 51.29 1uiy s ASP 61 Cb -1.44 -2.51 1.28 0.00 -1.46 0.00 0.00 42.92 38.79 1uiy s ASP 61 CO 0.78 -1.22 1.93 -0.07 0.52 0.00 0.00 175.17 177.11 1uiy h LEU 62 N 11.75 0.17 -1.73 -1.34 3.38 -1.99 0.88 115.31 126.43 1uiy h LEU 62 Ca 0.26 0.01 -0.00 0.00 0.09 0.00 0.00 57.88 58.24 1uiy h LEU 62 Cb 0.96 -0.02 -0.01 0.00 0.09 0.00 0.00 40.66 41.68 1uiy h LEU 62 CO 1.33 0.08 0.13 0.00 0.09 0.00 0.00 178.44 180.07 1uiy h ALA 63 N 1.65 1.80 0.00 1.53 0.00 -2.00 -2.01 119.26 120.23 1uiy h ALA 63 Ca 0.36 -0.03 -0.05 0.00 0.00 0.00 0.00 54.91 55.19 1uiy h ALA 63 Cb 1.17 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.86 1uiy h ALA 63 CO -0.06 0.18 -0.26 0.35 0.00 0.00 0.00 179.25 179.45 1uiy h PHE 64 N 0.31 0.00 -0.76 0.00 3.57 0.31 -3.29 116.94 117.08 1uiy h PHE 64 Ca 0.08 0.00 0.15 0.00 3.53 0.00 0.00 57.97 61.73 1uiy h PHE 64 Cb 0.00 0.00 -0.05 0.00 2.79 0.00 0.00 35.95 38.69 1uiy h PHE 64 CO 0.00 0.96 0.51 -0.07 -2.23 0.00 0.00 178.31 177.48 1uiy h LEU 65 N -1.00 0.41 -0.37 0.59 4.07 -0.99 -0.91 115.31 117.11 1uiy h LEU 65 Ca -0.07 0.02 -0.07 0.00 0.08 0.00 0.00 57.88 57.85 1uiy h LEU 65 Cb 0.94 -0.06 -0.01 0.00 1.08 0.00 0.00 40.66 42.61 1uiy h LEU 65 CO -0.04 0.21 -0.03 -0.33 -1.08 0.00 0.00 178.44 177.17 1uiy h GLU 66 N 0.44 0.67 0.05 1.13 4.39 -1.50 -3.38 114.58 116.39 1uiy h GLU 66 Ca 0.37 -0.23 -0.00 0.00 0.34 0.00 0.00 59.36 59.84 1uiy h GLU 66 Cb 0.82 -0.05 0.00 0.00 -0.10 0.00 0.00 28.75 29.42 1uiy h GLU 66 CO -0.12 0.80 -0.02 0.00 -1.16 0.00 0.00 179.01 178.50 1uiy h ARG 67 N 0.48 -0.06 0.00 2.33 2.47 -1.38 -3.40 114.38 114.82 1uiy h ARG 67 Ca 0.10 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.83 1uiy h ARG 67 Cb 0.51 0.01 0.00 0.00 -1.65 0.00 0.00 29.97 28.85 1uiy h ARG 67 CO 0.03 -0.04 0.00 1.55 0.56 0.00 0.00 179.97 182.06 1uiy n VAL 68 N -2.89 0.00 0.00 2.04 3.14 -0.44 0.11 118.33 120.29 1uiy n VAL 68 Ca -0.01 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.37 1uiy n VAL 68 Cb 0.03 0.00 0.00 0.00 -1.06 0.00 0.00 33.84 32.81 1uiy n VAL 68 CO 0.00 0.00 0.00 0.35 -6.46 0.00 0.00 176.83 170.72 1uiy n THR 69 N -2.78 0.45 -0.00 1.55 -2.24 -1.26 -1.87 114.28 108.12 1uiy n THR 69 Ca 0.00 0.11 0.00 0.00 -2.27 0.00 0.00 64.05 61.89 1uiy n THR 69 Cb 0.00 -1.11 0.00 0.00 -2.10 0.00 0.00 70.33 67.12 1uiy n THR 69 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1uiy n GLU 70 N -1.11 5.91 -1.02 -0.78 4.71 0.29 -5.06 120.64 123.59 1uiy n GLU 70 Ca 0.00 -0.06 -0.31 0.00 -0.01 0.00 0.00 57.16 56.79 1uiy n GLU 70 Cb 0.00 -0.54 0.13 0.00 -1.01 0.00 0.00 31.44 30.02 1uiy n GLU 70 CO 0.00 0.00 0.00 -0.51 0.09 0.00 0.00 177.13 176.71 1uiy s LEU 71 N -1.72 2.68 0.30 -4.62 1.43 -0.78 -5.01 118.68 110.96 1uiy s LEU 71 Ca 0.00 1.86 -0.11 0.00 -1.03 0.00 0.00 54.13 54.85 1uiy s LEU 71 Cb 0.00 -4.35 -0.08 0.00 0.03 0.00 0.00 46.19 41.79 1uiy s LEU 71 CO 0.00 -2.64 0.66 -0.83 0.23 0.00 0.00 176.35 173.77 1uiy s GLY 72 N -3.11 2.20 0.25 -3.19 0.00 -1.26 -4.86 107.32 97.35 1uiy s GLY 72 Ca 0.64 -0.16 -0.13 0.00 0.00 0.00 0.00 44.72 45.06 1uiy s GLY 72 CO 0.57 0.01 1.57 0.00 0.00 0.00 0.00 173.10 175.25 1uiy h ALA 73 N 2.11 0.40 -0.18 3.20 0.00 -1.99 0.64 119.26 123.45 1uiy h ALA 73 Ca -0.47 0.32 -0.01 0.00 0.00 0.00 0.00 54.91 54.75 1uiy h ALA 73 Cb 1.18 0.82 -0.01 0.00 0.00 0.00 0.00 17.79 19.78 1uiy h ALA 73 CO 0.66 -0.49 0.07 1.05 0.00 0.00 0.00 179.25 180.54 1uiy h GLU 74 N -0.01 0.24 0.10 0.00 9.09 -2.00 -1.06 114.58 120.94 1uiy h GLU 74 Ca 0.40 -0.02 -0.29 0.00 0.05 0.00 0.00 59.36 59.49 1uiy h GLU 74 Cb 0.64 -0.05 0.03 0.00 -1.65 0.00 0.00 28.75 27.72 1uiy h GLU 74 CO -0.95 0.21 -1.21 1.49 0.05 0.00 0.00 179.01 178.60 1uiy h GLU 75 N 0.24 0.62 -0.34 1.06 4.81 -0.24 -2.48 114.58 118.25 1uiy h GLU 75 Ca 0.06 -0.80 -0.00 0.00 -0.13 0.00 0.00 59.36 58.49 1uiy h GLU 75 Cb 0.06 0.26 -0.02 0.00 0.63 0.00 0.00 28.75 29.68 1uiy h GLU 75 CO -0.01 1.36 0.20 -0.91 -0.73 0.00 0.00 179.01 178.92 1uiy h ASN 76 N 0.29 0.41 -0.44 1.04 2.35 -0.10 -0.79 115.58 118.33 1uiy h ASN 76 Ca -0.18 -0.06 -0.02 0.00 -0.55 0.00 0.00 56.30 55.50 1uiy h ASN 76 Cb 1.88 -0.10 -0.02 0.00 0.05 0.00 0.00 38.32 40.13 1uiy h ASN 76 CO 0.23 0.34 0.21 0.22 -1.65 0.00 0.00 177.43 176.79 1uiy h TYR 77 N 0.43 0.63 -0.81 1.19 -0.00 -1.29 -0.19 116.97 116.94 1uiy h TYR 77 Ca 0.12 -0.03 0.09 0.00 -0.00 0.00 0.00 58.73 58.91 1uiy h TYR 77 Cb 0.01 -0.19 -0.06 0.00 -0.00 0.00 0.00 36.73 36.49 1uiy h TYR 77 CO -0.04 0.51 0.53 -0.09 -0.00 0.00 0.00 178.16 179.07 1uiy h ARG 78 N 0.56 0.75 0.00 1.82 2.43 -1.08 -1.53 114.38 117.33 1uiy h ARG 78 Ca 0.15 -0.05 -0.08 0.00 -0.81 0.00 0.00 59.98 59.19 1uiy h ARG 78 Cb 0.11 -0.17 0.01 0.00 -0.42 0.00 0.00 29.97 29.50 1uiy h ARG 78 CO -0.02 0.50 -0.33 0.45 -1.51 0.00 0.00 179.97 179.06 1uiy h HIS 79 N 0.78 0.33 -0.85 2.20 3.86 -0.54 -3.01 115.15 117.91 1uiy h HIS 79 Ca 0.37 -0.18 0.13 0.00 -1.16 0.00 0.00 60.37 59.53 1uiy h HIS 79 Cb 0.40 -0.04 -0.09 0.00 1.06 0.00 0.00 27.41 28.75 1uiy h HIS 79 CO -0.00 0.99 0.47 0.77 0.86 0.00 0.00 177.93 181.02 1uiy h SER 80 N -0.43 0.61 -0.49 2.45 0.02 -0.69 0.24 113.55 115.25 1uiy h SER 80 Ca -0.04 0.07 0.01 0.00 -0.84 0.00 0.00 61.79 60.99 1uiy h SER 80 Cb 1.09 -0.03 -0.02 0.00 0.14 0.00 0.00 62.40 63.57 1uiy h SER 80 CO 0.06 0.29 0.33 -0.07 -1.14 0.00 0.00 176.83 176.31 1uiy h LEU 81 N 0.70 0.57 -0.02 5.07 3.38 -1.32 -2.57 115.31 121.12 1uiy h LEU 81 Ca 0.45 -0.01 -0.01 0.00 0.09 0.00 0.00 57.88 58.39 1uiy h LEU 81 Cb 0.56 -0.14 -0.00 0.00 0.09 0.00 0.00 40.66 41.16 1uiy h LEU 81 CO -0.32 0.41 -0.03 0.28 0.09 0.00 0.00 178.44 178.87 1uiy h SER 82 N 0.67 0.07 0.00 -0.43 0.02 -0.44 -1.29 113.55 112.15 1uiy h SER 82 Ca 0.18 -0.54 0.00 0.00 -0.84 0.00 0.00 61.79 60.60 1uiy h SER 82 Cb -0.08 -0.02 0.00 0.00 0.14 0.00 0.00 62.40 62.44 1uiy h SER 82 CO -0.04 0.59 0.00 -0.11 -1.14 0.00 0.00 176.83 176.13 1uiy n LEU 83 N -4.78 0.06 0.00 5.07 7.94 -0.37 -2.41 117.00 122.51 1uiy n LEU 83 Ca -0.08 -0.03 0.00 0.00 -1.11 0.00 0.00 56.01 54.79 1uiy n LEU 83 Cb 0.29 -0.01 0.00 0.00 0.53 0.00 0.00 43.42 44.23 1uiy n LEU 83 CO 0.35 0.01 0.00 0.54 -1.11 0.00 0.00 177.39 177.18 1uiy n ARG 85 N 0.96 0.00 0.10 1.96 1.74 -0.49 -2.41 116.66 118.52 1uiy n ARG 85 Ca 0.00 0.00 -0.07 0.00 -0.77 0.00 0.00 57.85 57.01 1uiy n ARG 85 Cb 0.01 0.00 -0.04 0.00 -1.02 0.00 0.00 32.46 31.41 1uiy n ARG 85 CO 0.00 0.00 0.00 1.25 -1.52 0.00 0.00 177.63 177.36 1uiy h LEU 86 N 0.00 -0.29 -0.48 0.55 5.85 -1.76 -1.79 115.31 117.39 1uiy h LEU 86 Ca 0.00 -0.09 0.09 0.00 0.84 0.00 0.00 57.88 58.72 1uiy h LEU 86 Cb 0.00 0.07 -0.10 0.00 0.37 0.00 0.00 40.66 41.00 1uiy h LEU 86 CO 0.00 0.20 -0.32 -0.26 -0.34 0.00 0.00 178.44 177.72 1uiy h PHE 87 N -1.05 -0.88 -0.18 1.25 0.04 -1.79 -0.26 116.94 114.07 1uiy h PHE 87 Ca -0.03 0.06 0.03 0.00 2.80 0.00 0.00 57.97 60.83 1uiy h PHE 87 Cb 0.36 0.46 -0.03 0.00 2.20 0.00 0.00 35.95 38.94 1uiy h PHE 87 CO 0.03 -0.38 -0.04 1.25 -0.60 0.00 0.00 178.31 178.57 1uiy h HIS 88 N -0.21 -0.08 -1.01 -0.55 2.76 -1.84 0.15 115.15 114.37 1uiy h HIS 88 Ca 0.20 0.02 0.15 0.00 -2.20 0.00 0.00 60.37 58.53 1uiy h HIS 88 Cb 0.54 0.06 -0.09 0.00 1.55 0.00 0.00 27.41 29.47 1uiy h HIS 88 CO -0.57 -0.07 0.63 -0.09 -1.30 0.00 0.00 177.93 176.53 1uiy h ARG 89 N 0.01 0.89 0.02 5.26 9.65 -0.33 0.50 114.38 130.38 1uiy h ARG 89 Ca 0.09 -0.05 -0.00 0.00 -1.10 0.00 0.00 59.98 58.91 1uiy h ARG 89 Cb 0.13 -0.20 0.00 0.00 -1.39 0.00 0.00 29.97 28.51 1uiy h ARG 89 CO -0.18 0.59 -0.01 0.28 2.80 0.00 0.00 179.97 183.45 1uiy h VAL 90 N 0.91 1.40 0.00 0.20 2.07 -0.27 0.01 116.25 120.58 1uiy h VAL 90 Ca 0.53 -1.38 -0.02 0.00 0.82 0.00 0.00 66.70 66.65 1uiy h VAL 90 Cb 0.64 2.32 -0.00 0.00 -1.52 0.00 0.00 31.29 32.72 1uiy h VAL 90 CO -0.31 0.35 -0.12 0.22 0.02 0.00 0.00 177.57 177.73 1uiy h TYR 91 N -0.64 0.00 0.00 1.57 5.03 -0.26 -2.55 116.97 120.13 1uiy h TYR 91 Ca -0.00 0.00 0.00 0.00 2.58 0.00 0.00 58.73 61.31 1uiy h TYR 91 Cb 0.59 0.00 0.00 0.00 1.55 0.00 0.00 36.73 38.87 1uiy h TYR 91 CO 0.13 0.12 -0.78 2.41 -1.32 0.00 0.00 178.16 178.71 1uiy n THR 92 N -4.18 0.03 -1.33 1.81 -1.04 0.17 -4.97 114.28 104.78 1uiy n THR 92 Ca -0.03 -0.05 -0.52 0.00 -2.04 0.00 0.00 64.05 61.42 1uiy n THR 92 Cb 0.20 0.51 -0.07 0.00 -1.82 0.00 0.00 70.33 69.15 1uiy n THR 92 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1uiy n TYR 93 N -1.59 0.50 0.20 -1.42 -0.00 -0.01 -4.84 117.16 109.99 1uiy n TYR 93 Ca 0.04 0.94 0.05 0.00 -0.00 0.00 0.00 57.90 58.93 1uiy n TYR 93 Cb 0.35 -1.85 0.49 0.00 -0.00 0.00 0.00 39.34 38.33 1uiy n TYR 93 CO 0.00 0.00 0.00 -1.35 -0.00 0.00 0.00 176.86 175.51 1uiy h PRO 94 N 2.55 0.05 -6.15 2.98 0.11 -1.92 -3.44 132.00 126.18 1uiy h PRO 94 Ca -0.44 -0.01 -0.53 0.00 0.11 0.00 0.00 66.00 65.13 1uiy h PRO 94 Cb 1.27 -0.01 -0.04 0.00 0.11 0.00 0.00 31.00 32.33 1uiy h PRO 94 CO 0.57 0.21 -0.51 0.15 -0.21 0.00 0.00 178.00 178.22 1uiy s LYS 95 N -4.69 3.16 0.18 1.05 1.02 -1.26 -4.45 119.74 114.74 1uiy s LYS 95 Ca -0.04 -0.80 -0.32 0.00 0.02 0.00 0.00 55.97 54.83 1uiy s LYS 95 Cb 0.16 -2.77 -0.11 0.00 -0.52 0.00 0.00 37.83 34.59 1uiy s LYS 95 CO 0.70 0.47 1.61 -2.14 -0.92 0.00 0.00 175.35 175.07 1uiy s PRO 96 N -3.41 4.19 0.06 -1.68 0.02 -1.26 -4.89 135.00 128.02 1uiy s PRO 96 Ca 0.33 2.43 0.07 0.00 0.02 0.00 0.00 61.00 63.85 1uiy s PRO 96 Cb -0.10 -3.13 -0.04 0.00 0.02 0.00 0.00 34.50 31.26 1uiy s PRO 96 CO 0.26 -0.64 -0.15 0.95 -0.33 0.00 0.00 177.00 177.09 1uiy s THR 97 N 1.10 3.04 -0.04 0.99 -4.23 -1.26 -1.73 115.64 113.50 1uiy s THR 97 Ca 0.71 -1.19 -0.01 0.00 -1.18 0.00 0.00 61.69 60.02 1uiy s THR 97 Cb -0.45 -2.33 0.03 0.00 1.34 0.00 0.00 72.50 71.08 1uiy s THR 97 CO 0.32 0.26 0.03 -0.69 -0.54 0.00 0.00 174.62 174.00 1uiy s VAL 98 N -1.03 0.10 -0.13 2.29 1.01 -0.43 -2.27 120.40 119.94 1uiy s VAL 98 Ca 0.17 0.24 -0.20 0.00 0.00 0.00 0.00 61.98 62.19 1uiy s VAL 98 Cb -0.11 -0.28 -0.04 0.00 0.00 0.00 0.00 36.38 35.96 1uiy s VAL 98 CO 0.08 0.19 0.59 0.00 0.00 0.00 0.00 175.10 175.95 1uiy s ALA 99 N 1.75 3.45 -0.66 5.51 0.00 -0.34 0.10 121.76 131.57 1uiy s ALA 99 Ca 0.00 -0.12 -0.08 0.00 0.00 0.00 0.00 51.96 51.77 1uiy s ALA 99 Cb -0.13 -2.83 0.17 0.00 0.00 0.00 0.00 23.12 20.33 1uiy s ALA 99 CO -0.03 -0.19 0.53 0.00 0.00 0.00 0.00 175.76 176.07 1uiy s ALA 100 N 1.06 3.72 -1.22 0.00 0.00 0.20 -0.85 121.76 124.66 1uiy s ALA 100 Ca 0.30 -3.14 -0.21 0.00 0.00 0.00 0.00 51.96 48.91 1uiy s ALA 100 Cb -0.16 -2.98 -0.02 0.00 0.00 0.00 0.00 23.12 19.95 1uiy s ALA 100 CO 0.13 -2.12 1.84 0.08 0.00 0.00 0.00 175.76 175.69 1uiy s VAL 101 N 0.30 3.78 0.11 0.00 1.01 0.67 -4.37 120.40 121.89 1uiy s VAL 101 Ca 0.15 -1.29 -0.17 0.00 0.00 0.00 0.00 61.98 60.67 1uiy s VAL 101 Cb -0.18 -4.81 -0.04 0.00 0.00 0.00 0.00 36.38 31.34 1uiy s VAL 101 CO -0.05 -1.42 1.61 -0.55 0.00 0.00 0.00 175.10 174.69 1uiy h ASN 102 N 8.93 0.50 -0.37 3.32 -1.07 -1.88 0.17 115.58 125.17 1uiy h ASN 102 Ca 0.30 -0.23 0.00 0.00 0.07 0.00 0.00 56.30 56.45 1uiy h ASN 102 Cb 0.92 -0.13 0.00 0.00 -2.07 0.00 0.00 38.32 37.03 1uiy h ASN 102 CO 1.32 0.60 0.00 0.61 0.07 0.00 0.00 177.43 180.03 1uiy n GLY 103 N -0.57 6.20 3.71 9.14 0.00 -1.26 -4.54 105.19 117.86 1uiy n GLY 103 Ca -0.02 -1.65 -0.40 0.00 0.00 0.00 0.00 46.02 43.95 1uiy n GLY 103 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1uiy n PRO 104 N 0.00 1.75 -3.67 1.61 -0.02 -1.26 -3.81 135.00 129.60 1uiy n PRO 104 Ca 0.00 0.63 -0.27 0.00 -2.02 0.00 0.00 63.50 61.84 1uiy n PRO 104 Cb 0.00 -2.43 -0.16 0.00 -0.02 0.00 0.00 33.50 30.88 1uiy n PRO 104 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1uiy s ALA 105 N -1.27 0.83 -0.05 3.55 0.00 -0.36 -1.35 121.76 123.12 1uiy s ALA 105 Ca 0.66 -0.71 0.04 0.00 0.00 0.00 0.00 51.96 51.95 1uiy s ALA 105 Cb -0.46 -1.20 0.00 0.00 0.00 0.00 0.00 23.12 21.46 1uiy s ALA 105 CO 0.54 -1.28 -0.15 0.08 0.00 0.00 0.00 175.76 174.95 1uiy s VAL 106 N 1.95 1.33 0.00 0.00 1.01 -0.53 -1.88 120.40 122.27 1uiy s VAL 106 Ca 0.02 -0.64 0.00 0.00 0.00 0.00 0.00 61.98 61.36 1uiy s VAL 106 Cb -0.17 -1.16 0.00 0.00 0.00 0.00 0.00 36.38 35.06 1uiy s VAL 106 CO -0.13 0.39 0.00 0.00 0.00 0.00 0.00 175.10 175.36 1uiy n ALA 107 N 3.35 0.00 -0.15 5.51 0.00 0.98 -3.29 120.51 126.92 1uiy n ALA 107 Ca -0.19 0.00 -0.04 0.00 0.00 0.00 0.00 53.44 53.21 1uiy n ALA 107 Cb 0.53 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.94 1uiy n ALA 107 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1uiy n GLY 108 N 0.00 -1.15 0.37 0.00 0.00 -1.26 0.17 105.19 103.31 1uiy n GLY 108 Ca 0.00 0.47 0.05 0.00 0.00 0.00 0.00 46.02 46.54 1uiy n GLY 108 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1uiy h GLY 109 N 0.00 1.43 0.85 -0.02 0.00 -1.68 0.71 103.07 104.36 1uiy h GLY 109 Ca 0.06 -0.42 0.04 0.00 0.00 0.00 0.00 47.33 47.01 1uiy h GLY 109 CO -0.34 0.25 0.65 0.00 0.00 0.00 0.00 176.54 177.10 1uiy h ALA 110 N 1.52 1.34 -0.20 3.60 0.00 0.15 0.32 119.26 125.98 1uiy h ALA 110 Ca 0.43 -0.04 -0.14 0.00 0.00 0.00 0.00 54.91 55.16 1uiy h ALA 110 Cb 0.32 -0.35 0.00 0.00 0.00 0.00 0.00 17.79 17.77 1uiy h ALA 110 CO -0.19 0.53 -0.42 0.78 0.00 0.00 0.00 179.25 179.96 1uiy h GLY 111 N 1.25 0.69 0.50 0.00 0.00 -0.50 -1.43 103.07 103.57 1uiy h GLY 111 Ca 0.40 -0.83 0.11 0.00 0.00 0.00 0.00 47.33 47.01 1uiy h GLY 111 CO -0.13 0.74 0.60 -2.00 0.00 0.00 0.00 176.54 175.75 1uiy h LEU 112 N 0.32 0.88 -0.34 3.11 6.46 0.19 0.24 115.31 126.16 1uiy h LEU 112 Ca 0.00 0.05 -0.10 0.00 -0.12 0.00 0.00 57.88 57.71 1uiy h LEU 112 Cb 1.02 -0.13 -0.01 0.00 -0.73 0.00 0.00 40.66 40.81 1uiy h LEU 112 CO 0.09 0.48 -0.16 0.00 -0.62 0.00 0.00 178.44 178.23 1uiy h ALA 113 N 1.51 0.47 0.00 1.25 0.00 -0.30 -2.95 119.26 119.25 1uiy h ALA 113 Ca 0.47 -0.34 -0.04 0.00 0.00 0.00 0.00 54.91 55.00 1uiy h ALA 113 Cb 0.44 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.11 1uiy h ALA 113 CO -0.26 0.39 -0.20 1.25 0.00 0.00 0.00 179.25 180.43 1uiy h LEU 114 N 0.48 0.00 0.00 0.00 5.85 0.10 -2.27 115.31 119.47 1uiy h LEU 114 Ca 0.07 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.79 1uiy h LEU 114 Cb 0.70 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.73 1uiy h LEU 114 CO 0.05 0.20 0.00 0.00 -0.34 0.00 0.00 178.44 178.35 1uiy n ALA 115 N -2.44 1.69 -1.95 1.25 0.00 0.65 -4.76 120.51 114.94 1uiy n ALA 115 Ca -0.02 -0.05 -0.31 0.00 0.00 0.00 0.00 53.44 53.05 1uiy n ALA 115 Cb 0.27 -1.23 -0.03 0.00 0.00 0.00 0.00 19.45 18.47 1uiy n ALA 115 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1uiy h ASP 117 N 0.90 -0.47 -4.16 0.00 3.45 -1.75 -3.44 116.42 110.94 1uiy h ASP 117 Ca -0.47 0.09 -0.32 0.00 0.43 0.00 0.00 57.03 56.77 1uiy h ASP 117 Cb 1.19 0.23 -0.16 0.00 -0.56 0.00 0.00 39.33 40.03 1uiy h ASP 117 CO 0.62 -0.20 -0.72 -0.76 -1.57 0.00 0.00 179.24 176.62 1uiy s LEU 118 N -10.41 2.49 -0.04 1.55 1.43 -1.03 -5.04 118.68 107.63 1uiy s LEU 118 Ca -0.14 -0.95 0.01 0.00 -1.03 0.00 0.00 54.13 52.02 1uiy s LEU 118 Cb 0.10 -0.31 0.02 0.00 0.03 0.00 0.00 46.19 46.03 1uiy s LEU 118 CO 0.68 -0.32 -0.04 -0.69 0.23 0.00 0.00 176.35 176.21 1uiy s VAL 119 N -3.06 0.49 0.40 -1.59 1.01 -1.26 -1.19 120.40 115.19 1uiy s VAL 119 Ca 0.13 -0.12 0.07 0.00 0.00 0.00 0.00 61.98 62.06 1uiy s VAL 119 Cb 0.01 -0.51 -0.07 0.00 0.00 0.00 0.00 36.38 35.81 1uiy s VAL 119 CO -0.00 0.21 0.04 -0.69 0.00 0.00 0.00 175.10 174.65 1uiy s VAL 120 N 0.80 2.12 -0.11 2.92 1.01 -0.03 -1.22 120.40 125.89 1uiy s VAL 120 Ca -0.10 -1.95 0.02 0.00 0.00 0.00 0.00 61.98 59.95 1uiy s VAL 120 Cb -0.13 -2.96 -0.01 0.00 0.00 0.00 0.00 36.38 33.28 1uiy s VAL 120 CO 0.00 -0.03 -0.17 -0.62 0.00 0.00 0.00 175.10 174.28 1uiy s ASP 122 N -3.74 3.66 0.25 3.32 2.15 0.59 -0.24 116.67 122.65 1uiy s ASP 122 Ca 0.36 -0.40 0.10 0.00 0.43 0.00 0.00 52.55 53.04 1uiy s ASP 122 Cb 0.07 -1.41 0.55 0.00 -0.30 0.00 0.00 42.92 41.83 1uiy s ASP 122 CO 0.19 0.19 1.18 1.21 -0.17 0.00 0.00 175.17 177.77 1uiy n GLU 123 N 3.36 0.07 -0.02 4.34 2.13 -0.10 0.04 120.64 130.46 1uiy n GLU 123 Ca -0.18 0.51 0.02 0.00 0.66 0.00 0.00 57.16 58.17 1uiy n GLU 123 Cb 0.53 -2.00 0.03 0.00 0.27 0.00 0.00 31.44 30.27 1uiy n GLU 123 CO 0.00 0.00 0.00 0.39 -0.41 0.00 0.00 177.13 177.11 1uiy n GLU 124 N -1.88 0.52 -1.84 5.31 1.02 -1.26 -4.69 120.64 117.82 1uiy n GLU 124 Ca -0.01 -1.03 -0.30 0.00 -0.02 0.00 0.00 57.16 55.80 1uiy n GLU 124 Cb 0.29 -1.10 0.06 0.00 -0.02 0.00 0.00 31.44 30.67 1uiy n GLU 124 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1uiy s ALA 125 N -0.55 2.76 0.15 0.62 0.00 0.11 -4.94 121.76 119.91 1uiy s ALA 125 Ca 0.07 -0.39 0.06 0.00 0.00 0.00 0.00 51.96 51.70 1uiy s ALA 125 Cb 0.04 -3.02 -0.04 0.00 0.00 0.00 0.00 23.12 20.10 1uiy s ALA 125 CO 0.06 -1.32 -0.13 1.03 0.00 0.00 0.00 175.76 175.40 1uiy s ARG 126 N -5.38 1.14 -0.06 0.00 0.52 -1.26 -3.70 118.95 110.20 1uiy s ARG 126 Ca 0.59 -1.40 -0.07 0.00 -0.52 0.00 0.00 55.73 54.33 1uiy s ARG 126 Cb -0.11 -0.92 0.02 0.00 0.52 0.00 0.00 34.95 34.45 1uiy s ARG 126 CO 0.52 0.16 0.19 -1.17 0.02 0.00 0.00 175.30 175.01 1uiy s LEU 127 N -2.89 1.28 -0.25 2.53 2.96 -0.80 -1.22 118.68 120.28 1uiy s LEU 127 Ca 0.15 0.33 -0.29 0.00 -0.22 0.00 0.00 54.13 54.10 1uiy s LEU 127 Cb -0.02 0.68 0.17 0.00 0.50 0.00 0.00 46.19 47.52 1uiy s LEU 127 CO 0.04 -0.10 1.25 -0.83 -1.32 0.00 0.00 176.35 175.39 1uiy s GLY 128 N -0.06 0.01 -0.51 7.98 0.00 -0.79 0.62 107.32 114.57 1uiy s GLY 128 Ca -0.02 2.67 -0.07 0.00 0.00 0.00 0.00 44.72 47.30 1uiy s GLY 128 CO 0.00 1.20 0.37 -0.19 0.00 0.00 0.00 173.10 174.48 1uiy s TYR 129 N -0.89 3.48 -2.56 1.90 1.51 -1.26 -0.01 117.35 119.53 1uiy s TYR 129 Ca 0.05 -2.11 0.27 0.00 -1.01 0.00 0.00 57.07 54.27 1uiy s TYR 129 Cb -0.01 -3.43 0.89 0.00 -0.11 0.00 0.00 41.96 39.30 1uiy s TYR 129 CO -0.06 -0.97 1.65 0.25 -1.11 0.00 0.00 175.55 175.32 1uiy n THR 130 N 4.56 0.02 -0.34 -0.71 -2.24 -1.26 -4.22 114.28 110.10 1uiy n THR 130 Ca -0.03 -0.30 -0.01 0.00 -2.27 0.00 0.00 64.05 61.44 1uiy n THR 130 Cb 0.41 0.64 0.03 0.00 -2.10 0.00 0.00 70.33 69.31 1uiy n THR 130 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1uiy n GLU 131 N 0.38 -0.22 -0.10 -0.78 4.71 -1.26 -0.76 120.64 122.62 1uiy n GLU 131 Ca 0.18 1.33 0.08 0.00 -0.01 0.00 0.00 57.16 58.75 1uiy n GLU 131 Cb 0.39 -1.98 0.44 0.00 -1.01 0.00 0.00 31.44 29.28 1uiy n GLU 131 CO 0.00 0.00 0.00 -0.39 0.09 0.00 0.00 177.13 176.83 1uiy h VAL 132 N 0.00 0.98 -0.69 2.62 -1.51 -1.68 0.47 116.25 116.44 1uiy h VAL 132 Ca 0.29 -0.19 0.19 0.00 -1.23 0.00 0.00 66.70 65.76 1uiy h VAL 132 Cb 0.51 0.38 -0.03 0.00 -2.13 0.00 0.00 31.29 30.02 1uiy h VAL 132 CO -0.86 0.10 0.49 0.11 -1.23 0.00 0.00 177.57 176.18 1uiy h LYS 133 N 0.55 0.08 -0.00 5.19 1.79 -1.25 -2.68 116.57 120.24 1uiy h LYS 133 Ca 0.26 -0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.73 1uiy h LYS 133 Cb 0.32 -0.02 0.00 0.00 -1.58 0.00 0.00 32.23 30.95 1uiy h LYS 133 CO -0.08 0.05 -0.17 1.51 -1.08 0.00 0.00 179.45 179.69 1uiy n ILE 134 N -4.37 0.00 0.00 1.86 3.06 -0.81 -5.00 119.36 114.11 1uiy n ILE 134 Ca 0.13 -0.42 0.00 0.00 -2.50 0.00 0.00 62.75 59.97 1uiy n ILE 134 Cb 0.71 1.05 0.00 0.00 0.54 0.00 0.00 39.64 41.93 1uiy n ILE 134 CO 0.00 0.00 0.00 0.61 -2.50 0.00 0.00 176.55 174.66 1uiy n GLY 135 N 0.85 1.04 3.97 4.50 0.00 -0.64 -5.12 105.19 109.78 1uiy n GLY 135 Ca 0.02 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.82 1uiy n GLY 135 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1uiy s PHE 136 N -2.00 2.87 -0.08 1.61 2.99 0.16 -4.91 117.98 118.62 1uiy s PHE 136 Ca 0.00 0.04 0.01 0.00 0.00 0.00 0.00 56.93 56.99 1uiy s PHE 136 Cb 0.00 -2.80 0.02 0.00 0.00 0.00 0.00 43.02 40.24 1uiy s PHE 136 CO 0.00 -0.93 -0.11 0.08 -0.00 0.00 0.00 175.22 174.26 1uiy s VAL 137 N -2.81 1.11 0.00 -0.44 1.01 -1.26 -2.07 120.40 115.94 1uiy s VAL 137 Ca 0.58 -0.43 -0.02 0.00 0.00 0.00 0.00 61.98 62.10 1uiy s VAL 137 Cb -0.10 -1.05 -0.10 0.00 0.00 0.00 0.00 36.38 35.12 1uiy s VAL 137 CO 0.39 0.36 2.41 0.00 0.00 0.00 0.00 175.10 178.26 1uiy n ALA 138 N 4.15 4.58 0.01 5.51 0.00 -1.26 -4.58 120.51 128.93 1uiy n ALA 138 Ca -0.20 -0.70 -0.13 0.00 0.00 0.00 0.00 53.44 52.41 1uiy n ALA 138 Cb 0.51 -1.64 -0.07 0.00 0.00 0.00 0.00 19.45 18.25 1uiy n ALA 138 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1uiy h ALA 139 N 2.23 -0.70 -0.47 0.00 0.00 -2.00 -0.76 119.26 117.56 1uiy h ALA 139 Ca 0.07 -0.03 0.14 0.00 0.00 0.00 0.00 54.91 55.09 1uiy h ALA 139 Cb 1.08 0.84 -0.02 0.00 0.00 0.00 0.00 17.79 19.69 1uiy h ALA 139 CO 0.11 -0.98 0.34 -0.07 0.00 0.00 0.00 179.25 178.65 1uiy h LEU 140 N -0.54 0.00 0.15 0.00 3.38 -2.02 -1.66 115.31 114.61 1uiy h LEU 140 Ca 0.06 0.00 -0.31 0.00 0.09 0.00 0.00 57.88 57.72 1uiy h LEU 140 Cb 0.66 0.00 0.03 0.00 0.09 0.00 0.00 40.66 41.44 1uiy h LEU 140 CO -0.39 0.00 -1.29 0.58 0.09 0.00 0.00 178.44 177.43 1uiy h VAL 141 N 0.00 1.28 -0.95 1.22 2.07 -1.67 -3.29 116.25 114.91 1uiy h VAL 141 Ca 0.22 -2.50 0.29 0.00 0.82 0.00 0.00 66.70 65.53 1uiy h VAL 141 Cb 0.90 2.76 -0.15 0.00 -1.52 0.00 0.00 31.29 33.27 1uiy h VAL 141 CO -0.00 0.76 0.37 0.28 0.02 0.00 0.00 177.57 178.99 1uiy h SER 142 N 0.25 0.17 -0.50 0.57 0.02 -0.18 0.96 113.55 114.85 1uiy h SER 142 Ca -0.20 0.21 0.10 0.00 -0.84 0.00 0.00 61.79 61.06 1uiy h SER 142 Cb 1.97 0.25 -0.09 0.00 0.14 0.00 0.00 62.40 64.66 1uiy h SER 142 CO 0.25 -0.20 -0.10 0.58 -1.14 0.00 0.00 176.83 176.21 1uiy h VAL 143 N 0.20 0.52 0.13 2.27 2.07 -1.62 -1.98 116.25 117.83 1uiy h VAL 143 Ca 0.66 -0.01 -0.23 0.00 0.82 0.00 0.00 66.70 67.94 1uiy h VAL 143 Cb 1.45 0.50 0.02 0.00 -1.52 0.00 0.00 31.29 31.75 1uiy h VAL 143 CO -0.68 0.00 -0.97 0.40 0.02 0.00 0.00 177.57 176.34 1uiy h ILE 144 N 0.02 1.41 -0.80 4.57 2.04 -1.08 -3.37 117.51 120.30 1uiy h ILE 144 Ca 0.24 -2.46 0.11 0.00 1.00 0.00 0.00 64.86 63.75 1uiy h ILE 144 Cb 0.37 2.96 -0.08 0.00 -0.74 0.00 0.00 36.82 39.33 1uiy h ILE 144 CO -0.50 0.72 0.44 0.25 0.00 0.00 0.00 178.15 179.06 1uiy h LEU 145 N -0.10 0.59 -2.42 1.44 5.85 -0.75 -0.32 115.31 119.60 1uiy h LEU 145 Ca -0.16 0.06 0.02 0.00 0.84 0.00 0.00 57.88 58.64 1uiy h LEU 145 Cb 1.72 -0.05 -0.00 0.00 0.37 0.00 0.00 40.66 42.70 1uiy h LEU 145 CO 0.18 0.32 0.09 -0.37 -0.34 0.00 0.00 178.44 178.32 1uiy h VAL 146 N 0.71 0.42 0.00 1.05 -1.51 -1.53 0.13 116.25 115.52 1uiy h VAL 146 Ca 0.40 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.87 1uiy h VAL 146 Cb 0.43 0.92 0.00 0.00 -2.13 0.00 0.00 31.29 30.52 1uiy h VAL 146 CO -0.28 0.00 -0.90 0.03 -1.23 0.00 0.00 177.57 175.19 1uiy h ARG 147 N 0.00 0.00 0.04 5.19 3.08 -1.27 -3.39 114.38 118.04 1uiy h ARG 147 Ca 0.03 0.00 -0.32 0.00 0.07 0.00 0.00 59.98 59.76 1uiy h ARG 147 Cb 0.22 0.00 -0.04 0.00 0.08 0.00 0.00 29.97 30.23 1uiy h ARG 147 CO -0.00 0.00 -1.87 0.00 -1.07 0.00 0.00 179.97 177.03 1uiy n ALA 148 N -2.15 1.29 -2.24 0.04 0.00 0.34 -5.00 120.51 112.79 1uiy n ALA 148 Ca 0.01 -0.76 -0.13 0.00 0.00 0.00 0.00 53.44 52.56 1uiy n ALA 148 Cb 0.54 -0.73 -0.10 0.00 0.00 0.00 0.00 19.45 19.16 1uiy n ALA 148 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.50 177.64 1uiy s VAL 149 N -2.58 0.42 0.70 0.00 -7.23 -0.45 -4.72 120.40 106.55 1uiy s VAL 149 Ca -0.12 -1.97 -0.14 0.00 -1.81 0.00 0.00 61.98 57.93 1uiy s VAL 149 Cb 0.07 -2.31 0.02 0.00 0.56 0.00 0.00 36.38 34.73 1uiy s VAL 149 CO 0.80 -0.26 1.15 -0.83 -0.31 0.00 0.00 175.10 175.64 1uiy s GLY 150 N -3.19 2.18 0.18 2.32 0.00 -1.26 -4.66 107.32 102.89 1uiy s GLY 150 Ca 0.30 0.66 -0.15 0.00 0.00 0.00 0.00 44.72 45.53 1uiy s GLY 150 CO 0.08 1.03 1.67 -2.09 0.00 0.00 0.00 173.10 173.79 1uiy h GLU 151 N -0.25 0.06 -0.12 2.90 4.22 -1.95 -0.49 114.58 118.94 1uiy h GLU 151 Ca -0.47 -0.00 0.01 0.00 0.08 0.00 0.00 59.36 58.98 1uiy h GLU 151 Cb 1.26 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 30.50 1uiy h GLU 151 CO 0.52 0.04 0.08 0.87 -2.18 0.00 0.00 179.01 178.34 1uiy h LYS 152 N 0.06 0.10 0.01 1.92 1.79 -2.00 -0.26 116.57 118.19 1uiy h LYS 152 Ca 0.22 -0.01 -0.21 0.00 -2.18 0.00 0.00 60.65 58.48 1uiy h LYS 152 Cb 0.34 -0.02 -0.01 0.00 -1.58 0.00 0.00 32.23 30.95 1uiy h LYS 152 CO -0.42 0.07 -0.92 0.00 -1.08 0.00 0.00 179.45 177.10 1uiy h ALA 153 N 1.93 0.47 0.15 3.86 0.00 -1.50 -2.65 119.26 121.51 1uiy h ALA 153 Ca 0.05 -0.75 -0.01 0.00 0.00 0.00 0.00 54.91 54.20 1uiy h ALA 153 Cb 0.08 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.80 1uiy h ALA 153 CO -0.01 0.94 -0.07 0.00 0.00 0.00 0.00 179.25 180.11 1uiy h ALA 154 N 0.93 -0.20 -0.34 0.00 0.00 0.27 -2.46 119.26 117.48 1uiy h ALA 154 Ca -0.05 -0.14 0.06 0.00 0.00 0.00 0.00 54.91 54.78 1uiy h ALA 154 Cb 1.57 0.08 -0.05 0.00 0.00 0.00 0.00 17.79 19.38 1uiy h ALA 154 CO 0.14 -0.49 -0.00 0.87 0.00 0.00 0.00 179.25 179.77 1uiy h LYS 155 N -0.44 0.09 0.01 0.00 1.79 -1.24 -0.62 116.57 116.16 1uiy h LYS 155 Ca -0.02 -0.01 0.01 0.00 -2.18 0.00 0.00 60.65 58.45 1uiy h LYS 155 Cb 0.34 -0.02 -0.02 0.00 -1.58 0.00 0.00 32.23 30.96 1uiy h LYS 155 CO 0.03 0.06 -0.17 0.22 -1.08 0.00 0.00 179.45 178.51 1uiy h ASP 156 N 0.09 -0.52 -0.90 0.86 1.82 -1.41 0.37 116.42 116.72 1uiy h ASP 156 Ca 0.16 0.06 0.16 0.00 -0.39 0.00 0.00 57.03 57.02 1uiy h ASP 156 Cb 0.22 0.20 -0.10 0.00 0.68 0.00 0.00 39.33 40.33 1uiy h ASP 156 CO -0.28 -0.17 0.50 -0.07 -1.61 0.00 0.00 179.24 177.62 1uiy h LEU 157 N -0.22 0.63 0.00 2.28 3.38 -1.25 -1.62 115.31 118.52 1uiy h LEU 157 Ca 0.00 0.09 -0.15 0.00 0.09 0.00 0.00 57.88 57.92 1uiy h LEU 157 Cb 0.23 -0.02 -0.02 0.00 0.09 0.00 0.00 40.66 40.94 1uiy h LEU 157 CO -0.11 0.26 -0.93 -0.07 0.09 0.00 0.00 178.44 177.68 1uiy h LEU 158 N 0.70 0.00 0.07 1.67 3.38 -0.81 -2.57 115.31 117.75 1uiy h LEU 158 Ca 0.50 0.00 -0.29 0.00 0.09 0.00 0.00 57.88 58.17 1uiy h LEU 158 Cb 0.70 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.43 1uiy h LEU 158 CO -0.36 0.60 -1.55 -0.07 0.09 0.00 0.00 178.44 177.16 1uiy h LEU 159 N 0.00 0.23 0.07 1.67 3.38 0.02 -3.37 115.31 117.31 1uiy h LEU 159 Ca -0.07 -0.36 -0.32 0.00 0.09 0.00 0.00 57.88 57.22 1uiy h LEU 159 Cb 1.52 -0.08 -0.03 0.00 0.09 0.00 0.00 40.66 42.17 1uiy h LEU 159 CO 0.07 1.31 -1.74 0.71 0.09 0.00 0.00 178.44 178.88 1uiy h THR 160 N 0.04 0.88 -0.09 0.22 1.35 -1.46 -3.48 112.91 110.37 1uiy h THR 160 Ca -0.24 -2.63 -0.04 0.00 -0.55 0.00 0.00 66.41 62.95 1uiy h THR 160 Cb 1.98 2.55 -0.02 0.00 -1.73 0.00 0.00 68.15 70.93 1uiy h THR 160 CO 0.13 0.72 -0.04 0.61 -0.25 0.00 0.00 175.52 176.69 1uiy n GLY 161 N 1.72 0.53 3.68 5.82 0.00 -0.97 -4.86 105.19 111.11 1uiy n GLY 161 Ca -0.21 -0.31 -0.30 0.00 0.00 0.00 0.00 46.02 45.21 1uiy n GLY 161 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1uiy s ARG 162 N -1.21 0.86 -0.20 1.61 1.70 -1.26 -4.22 118.95 116.23 1uiy s ARG 162 Ca 0.00 0.89 -0.06 0.00 -0.47 0.00 0.00 55.73 56.09 1uiy s ARG 162 Cb 0.00 -1.76 -0.03 0.00 -0.57 0.00 0.00 34.95 32.59 1uiy s ARG 162 CO 0.00 -2.53 0.04 -0.51 -1.08 0.00 0.00 175.30 171.21 1uiy s LEU 163 N -6.42 3.51 0.46 -1.89 1.43 -1.26 -4.13 118.68 110.37 1uiy s LEU 163 Ca 0.65 -0.09 0.00 0.00 -1.03 0.00 0.00 54.13 53.66 1uiy s LEU 163 Cb -0.20 -1.90 -0.00 0.00 0.03 0.00 0.00 46.19 44.13 1uiy s LEU 163 CO 0.58 0.09 0.68 0.68 0.23 0.00 0.00 176.35 178.61 1uiy s VAL 164 N 0.84 3.91 0.20 -1.59 -7.23 0.20 -4.84 120.40 111.89 1uiy s VAL 164 Ca 0.02 -0.51 0.09 0.00 -1.81 0.00 0.00 61.98 59.78 1uiy s VAL 164 Cb -0.14 -3.45 -0.04 0.00 0.56 0.00 0.00 36.38 33.31 1uiy s VAL 164 CO 0.02 -0.31 -0.06 -1.61 -0.31 0.00 0.00 175.10 172.83 1uiy s GLU 165 N -4.57 2.16 0.21 4.82 2.02 -1.26 -1.91 118.70 120.17 1uiy s GLU 165 Ca 0.49 -1.29 0.05 0.00 0.02 0.00 0.00 54.97 54.24 1uiy s GLU 165 Cb -0.10 -2.18 0.60 0.00 0.10 0.00 0.00 34.13 32.55 1uiy s GLU 165 CO 0.38 0.42 1.01 0.00 0.02 0.00 0.00 175.26 177.09 1uiy n ALA 166 N -0.22 0.42 -0.05 5.21 0.00 -1.24 -0.05 120.51 124.58 1uiy n ALA 166 Ca -0.09 0.68 -0.10 0.00 0.00 0.00 0.00 53.44 53.92 1uiy n ALA 166 Cb 0.56 -0.55 -0.04 0.00 0.00 0.00 0.00 19.45 19.43 1uiy n ALA 166 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.50 177.41 1uiy h ARG 167 N 0.00 0.27 -0.11 0.00 2.43 -1.94 -2.79 114.38 112.24 1uiy h ARG 167 Ca 0.43 -0.03 -0.21 0.00 -0.81 0.00 0.00 59.98 59.37 1uiy h ARG 167 Cb 0.99 -0.05 0.01 0.00 -0.42 0.00 0.00 29.97 30.49 1uiy h ARG 167 CO -0.58 0.26 -0.74 1.49 -1.51 0.00 0.00 179.97 178.89 1uiy h GLU 168 N 0.22 0.69 -0.96 0.20 4.81 -0.86 -3.03 114.58 115.64 1uiy h GLU 168 Ca 0.07 -0.60 0.16 0.00 -0.13 0.00 0.00 59.36 58.86 1uiy h GLU 168 Cb 0.06 0.14 -0.10 0.00 0.63 0.00 0.00 28.75 29.48 1uiy h GLU 168 CO -0.01 1.21 0.57 0.00 -0.73 0.00 0.00 179.01 180.05 1uiy h ALA 169 N 0.49 1.54 -0.02 2.92 0.00 -1.05 -0.22 119.26 122.92 1uiy h ALA 169 Ca -0.06 0.07 -0.04 0.00 0.00 0.00 0.00 54.91 54.87 1uiy h ALA 169 Cb 1.39 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 19.09 1uiy h ALA 169 CO 0.15 -0.00 -0.16 -0.22 0.00 0.00 0.00 179.25 179.02 1uiy h LYS 170 N 0.78 0.14 -1.01 0.00 3.64 -1.55 0.16 116.57 118.72 1uiy h LYS 170 Ca 0.53 -0.12 0.24 0.00 -1.27 0.00 0.00 60.65 60.03 1uiy h LYS 170 Cb 0.75 0.03 -0.11 0.00 -0.41 0.00 0.00 32.23 32.49 1uiy h LYS 170 CO -0.35 0.82 0.62 0.00 -2.27 0.00 0.00 179.45 178.26 1uiy h ALA 171 N 0.32 1.89 0.00 5.00 0.00 -1.24 0.76 119.26 125.98 1uiy h ALA 171 Ca -0.01 0.10 -0.04 0.00 0.00 0.00 0.00 54.91 54.96 1uiy h ALA 171 Cb 0.86 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.64 1uiy h ALA 171 CO 0.03 -0.32 -0.31 -0.07 0.00 0.00 0.00 179.25 178.58 1uiy h LEU 172 N 0.57 0.00 0.00 0.00 3.38 -1.08 -3.48 115.31 114.70 1uiy h LEU 172 Ca 0.62 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.59 1uiy h LEU 172 Cb 1.23 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.98 1uiy h LEU 172 CO -0.41 0.17 0.00 0.61 0.09 0.00 0.00 178.44 178.90 1uiy n GLY 173 N 1.16 1.31 0.08 0.83 0.00 0.26 -4.66 105.19 104.16 1uiy n GLY 173 Ca 0.02 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.96 1uiy n GLY 173 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1uiy h LEU 174 N 0.00 0.00 -8.29 0.99 3.38 -0.89 -3.44 115.31 107.07 1uiy h LEU 174 Ca 0.00 -0.00 -0.34 0.00 0.09 0.00 0.00 57.88 57.62 1uiy h LEU 174 Cb 0.00 -0.00 -0.21 0.00 0.09 0.00 0.00 40.66 40.54 1uiy h LEU 174 CO 0.00 1.00 -0.76 0.68 0.09 0.00 0.00 178.44 179.46 1uiy s VAL 175 N -2.62 0.82 -0.10 1.22 -7.23 -1.09 -4.81 120.40 106.59 1uiy s VAL 175 Ca -0.03 -1.19 -0.19 0.00 -1.81 0.00 0.00 61.98 58.76 1uiy s VAL 175 Cb 0.08 -0.84 -0.27 0.00 0.56 0.00 0.00 36.38 35.92 1uiy s VAL 175 CO 0.82 -0.30 0.62 0.78 -0.31 0.00 0.00 175.10 176.71 1uiy h ASN 176 N 4.41 0.33 -4.46 4.85 4.21 -1.52 -3.39 115.58 120.00 1uiy h ASN 176 Ca -0.38 -0.86 -0.28 0.00 1.21 0.00 0.00 56.30 55.99 1uiy h ASN 176 Cb 1.20 -0.11 -0.17 0.00 -1.12 0.00 0.00 38.32 38.12 1uiy h ASN 176 CO 0.40 1.50 -0.72 -0.13 -1.29 0.00 0.00 177.43 177.20 1uiy s ARG 177 N -2.43 0.83 -0.19 0.81 3.00 -1.02 -5.04 118.95 114.90 1uiy s ARG 177 Ca -0.19 -1.21 0.01 0.00 0.00 0.00 0.00 55.73 54.34 1uiy s ARG 177 Cb 0.03 -0.39 0.03 0.00 0.00 0.00 0.00 34.95 34.62 1uiy s ARG 177 CO 0.76 0.04 -0.18 0.42 0.00 0.00 0.00 175.30 176.33 1uiy s ILE 178 N -2.87 2.07 0.08 1.52 1.01 -1.26 -4.30 121.20 117.45 1uiy s ILE 178 Ca 0.07 -1.06 -0.13 0.00 0.00 0.00 0.00 60.65 59.54 1uiy s ILE 178 Cb 0.00 -1.93 -0.06 0.00 0.01 0.00 0.00 42.46 40.48 1uiy s ILE 178 CO -0.02 0.44 0.45 0.00 0.00 0.00 0.00 174.94 175.81 1uiy s ALA 179 N 1.26 3.67 0.54 9.38 0.00 -1.26 -4.90 121.76 130.46 1uiy s ALA 179 Ca 0.02 -0.25 -0.22 0.00 0.00 0.00 0.00 51.96 51.52 1uiy s ALA 179 Cb -0.14 -2.39 -0.05 0.00 0.00 0.00 0.00 23.12 20.54 1uiy s ALA 179 CO -0.12 0.51 1.32 -0.35 0.00 0.00 0.00 175.76 177.12 1uiy n PRO 180 N 1.12 1.62 -1.49 0.00 -0.04 -1.26 -0.92 135.00 134.02 1uiy n PRO 180 Ca -0.09 0.60 -0.59 0.00 -0.04 0.00 0.00 63.50 63.39 1uiy n PRO 180 Cb 0.52 -2.52 -0.09 0.00 -0.04 0.00 0.00 33.50 31.36 1uiy n PRO 180 CO 0.00 0.00 0.00 -0.35 -0.04 0.00 0.00 175.50 175.11 1uiy n PRO 181 N -0.96 0.52 0.00 0.54 -0.04 -1.26 -3.37 135.00 130.43 1uiy n PRO 181 Ca 0.11 0.17 0.00 0.00 -0.04 0.00 0.00 63.50 63.73 1uiy n PRO 181 Cb 0.44 -1.87 0.00 0.00 -0.04 0.00 0.00 33.50 32.03 1uiy n PRO 181 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1uiy n GLY 182 N 5.91 1.86 2.41 0.55 0.00 -1.26 -5.03 105.19 109.62 1uiy n GLY 182 Ca 0.41 -0.21 -0.26 0.00 0.00 0.00 0.00 46.02 45.96 1uiy n GLY 182 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1uiy n LYS 183 N 0.00 1.15 -0.07 1.61 4.01 -1.22 -4.85 118.16 118.80 1uiy n LYS 183 Ca 0.00 -3.73 -0.04 0.00 -0.51 0.00 0.00 58.31 54.02 1uiy n LYS 183 Cb 0.00 -1.74 0.17 0.00 -0.51 0.00 0.00 35.03 32.95 1uiy n LYS 183 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 1uiy h ALA 184 N 4.71 1.09 0.67 7.82 0.00 -1.89 -2.47 119.26 129.18 1uiy h ALA 184 Ca 0.17 -0.29 -0.03 0.00 0.00 0.00 0.00 54.91 54.75 1uiy h ALA 184 Cb 0.82 -0.16 0.01 0.00 0.00 0.00 0.00 17.79 18.45 1uiy h ALA 184 CO 0.56 0.57 -0.32 1.25 0.00 0.00 0.00 179.25 181.30 1uiy h LEU 185 N 0.63 -0.76 -0.74 0.00 5.85 -1.88 0.40 115.31 118.81 1uiy h LEU 185 Ca 0.11 0.00 0.17 0.00 0.84 0.00 0.00 57.88 59.00 1uiy h LEU 185 Cb 0.54 0.20 -0.13 0.00 0.37 0.00 0.00 40.66 41.64 1uiy h LEU 185 CO 0.03 -0.49 -0.01 -0.08 -0.34 0.00 0.00 178.44 177.55 1uiy h GLU 186 N -0.98 0.09 -0.39 1.25 4.81 -1.91 0.59 114.58 118.04 1uiy h GLU 186 Ca -0.09 -0.01 -0.10 0.00 -0.13 0.00 0.00 59.36 59.03 1uiy h GLU 186 Cb 0.71 -0.02 -0.02 0.00 0.63 0.00 0.00 28.75 30.06 1uiy h GLU 186 CO 0.15 0.06 -0.17 1.49 -0.73 0.00 0.00 179.01 179.81 1uiy h GLU 187 N 0.09 0.73 -0.34 1.92 4.81 -1.29 -1.31 114.58 119.20 1uiy h GLU 187 Ca 0.40 -0.27 -0.07 0.00 -0.13 0.00 0.00 59.36 59.29 1uiy h GLU 187 Cb 0.70 -0.05 -0.01 0.00 0.63 0.00 0.00 28.75 30.02 1uiy h GLU 187 CO -0.66 0.86 -0.07 0.00 -0.73 0.00 0.00 179.01 178.41 1uiy h ALA 188 N 1.15 0.47 -0.37 2.92 0.00 0.15 0.06 119.26 123.63 1uiy h ALA 188 Ca 0.10 -0.29 -0.00 0.00 0.00 0.00 0.00 54.91 54.72 1uiy h ALA 188 Cb 0.66 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.31 1uiy h ALA 188 CO 0.05 0.30 0.23 0.87 0.00 0.00 0.00 179.25 180.69 1uiy h LYS 189 N 0.44 0.50 0.69 0.00 1.57 0.21 0.41 116.57 120.38 1uiy h LYS 189 Ca 0.09 -0.03 -0.03 0.00 -1.87 0.00 0.00 60.65 58.80 1uiy h LYS 189 Cb 0.56 -0.11 0.01 0.00 0.08 0.00 0.00 32.23 32.77 1uiy h LYS 189 CO 0.03 0.34 -0.33 0.00 -0.57 0.00 0.00 179.45 178.92 1uiy h ALA 190 N 1.75 -0.92 -0.62 3.86 0.00 -0.66 -1.88 119.26 120.79 1uiy h ALA 190 Ca 0.14 -0.22 0.12 0.00 0.00 0.00 0.00 54.91 54.95 1uiy h ALA 190 Cb -0.03 0.36 -0.12 0.00 0.00 0.00 0.00 17.79 18.00 1uiy h ALA 190 CO -0.03 -0.90 -0.17 1.25 0.00 0.00 0.00 179.25 179.41 1uiy h LEU 191 N -1.17 -0.62 0.21 0.00 5.85 -0.51 -2.26 115.31 116.80 1uiy h LEU 191 Ca -0.09 0.19 0.00 0.00 0.84 0.00 0.00 57.88 58.82 1uiy h LEU 191 Cb 0.73 0.40 -0.03 0.00 0.37 0.00 0.00 40.66 42.14 1uiy h LEU 191 CO 0.15 -0.22 -0.37 0.00 -0.34 0.00 0.00 178.44 177.67 1uiy h ALA 192 N 1.58 -0.94 -0.93 1.25 0.00 -0.90 -2.23 119.26 117.08 1uiy h ALA 192 Ca 0.30 -0.10 0.20 0.00 0.00 0.00 0.00 54.91 55.30 1uiy h ALA 192 Cb 0.47 0.69 -0.18 0.00 0.00 0.00 0.00 17.79 18.77 1uiy h ALA 192 CO -0.65 -1.00 -0.20 1.49 0.00 0.00 0.00 179.25 178.89 1uiy h GLU 193 N -0.61 0.00 -0.00 0.00 4.57 -0.82 0.33 114.58 118.06 1uiy h GLU 193 Ca -0.02 -0.00 0.03 0.00 -1.18 0.00 0.00 59.36 58.19 1uiy h GLU 193 Cb 0.57 -0.00 -0.05 0.00 -0.16 0.00 0.00 28.75 29.11 1uiy h GLU 193 CO -0.13 0.00 -0.32 1.49 -1.18 0.00 0.00 179.01 178.88 1uiy h GLU 194 N 0.00 -0.45 -0.59 1.92 4.81 -1.00 -0.18 114.58 119.10 1uiy h GLU 194 Ca 0.46 0.03 0.07 0.00 -0.13 0.00 0.00 59.36 59.79 1uiy h GLU 194 Cb 0.74 0.10 -0.03 0.00 0.63 0.00 0.00 28.75 30.19 1uiy h GLU 194 CO -0.95 -0.30 0.39 0.28 -0.73 0.00 0.00 179.01 177.71 1uiy h VAL 195 N -0.47 0.98 0.00 0.32 2.07 -0.07 -0.79 116.25 118.29 1uiy h VAL 195 Ca 0.06 -0.18 -0.02 0.00 0.82 0.00 0.00 66.70 67.38 1uiy h VAL 195 Cb 0.55 0.39 -0.00 0.00 -1.52 0.00 0.00 31.29 30.72 1uiy h VAL 195 CO -0.26 0.10 -0.09 0.00 0.02 0.00 0.00 177.57 177.34 1uiy h ALA 196 N 1.68 1.03 -0.18 1.67 0.00 0.12 -2.65 119.26 120.94 1uiy h ALA 196 Ca 0.26 -0.08 -0.07 0.00 0.00 0.00 0.00 54.91 55.02 1uiy h ALA 196 Cb 0.32 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.08 1uiy h ALA 196 CO -0.07 0.11 -0.18 0.87 0.00 0.00 0.00 179.25 179.98 1uiy h LYS 197 N 0.00 0.30 -7.34 0.00 1.57 0.23 -3.45 116.57 107.88 1uiy h LYS 197 Ca -0.00 -0.09 -0.49 0.00 -1.87 0.00 0.00 60.65 58.20 1uiy h LYS 197 Cb 0.57 -0.03 0.14 0.00 0.08 0.00 0.00 32.23 32.98 1uiy h LYS 197 CO 0.01 0.48 0.28 -0.80 -0.57 0.00 0.00 179.45 178.86 1uiy s ASN 198 N -6.85 3.97 -0.12 0.86 0.01 -1.00 -4.95 114.94 106.86 1uiy s ASN 198 Ca -0.06 1.56 -0.34 0.00 -0.71 0.00 0.00 52.86 53.31 1uiy s ASN 198 Cb 0.15 -2.26 -0.11 0.00 0.41 0.00 0.00 41.25 39.44 1uiy s ASN 198 CO 0.75 -2.34 1.92 0.00 -1.51 0.00 0.00 177.10 175.92 1uiy n ALA 199 N -3.69 0.89 -0.31 0.60 0.00 -1.26 -4.91 120.51 111.82 1uiy n ALA 199 Ca 0.08 0.24 0.10 0.00 0.00 0.00 0.00 53.44 53.85 1uiy n ALA 199 Cb 0.55 -2.51 0.32 0.00 0.00 0.00 0.00 19.45 17.80 1uiy n ALA 199 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.50 176.15 1uiy h PRO 200 N 9.69 0.80 0.41 0.00 0.11 -1.92 -0.12 132.00 140.95 1uiy h PRO 200 Ca -0.47 -0.05 -0.02 0.00 0.11 0.00 0.00 66.00 65.58 1uiy h PRO 200 Cb 1.28 -0.18 0.00 0.00 0.11 0.00 0.00 31.00 32.21 1uiy h PRO 200 CO 0.96 0.53 -0.19 1.15 -0.21 0.00 0.00 178.00 180.23 1uiy h THR 201 N 0.82 0.44 -0.83 -1.15 2.02 -2.00 -2.85 112.91 109.36 1uiy h THR 201 Ca 0.48 -0.59 0.16 0.00 0.77 0.00 0.00 66.41 67.23 1uiy h THR 201 Cb 0.65 0.65 -0.06 0.00 -1.74 0.00 0.00 68.15 67.65 1uiy h THR 201 CO -0.25 0.08 0.55 0.28 0.37 0.00 0.00 175.52 176.55 1uiy h SER 202 N -0.95 0.47 0.45 4.18 0.02 -1.82 -2.46 113.55 113.44 1uiy h SER 202 Ca -0.06 0.03 -0.02 0.00 -0.84 0.00 0.00 61.79 60.90 1uiy h SER 202 Cb 0.55 -0.06 0.00 0.00 0.14 0.00 0.00 62.40 63.04 1uiy h SER 202 CO 0.09 0.23 -0.21 -0.07 -1.14 0.00 0.00 176.83 175.72 1uiy h LEU 203 N 0.49 -0.51 -0.07 5.07 3.38 -1.04 -1.70 115.31 120.93 1uiy h LEU 203 Ca 0.42 -0.10 0.03 0.00 0.09 0.00 0.00 57.88 58.32 1uiy h LEU 203 Cb 0.89 0.13 -0.06 0.00 0.09 0.00 0.00 40.66 41.71 1uiy h LEU 203 CO -0.16 -0.13 -0.52 -0.09 0.09 0.00 0.00 178.44 177.63 1uiy h ARG 204 N -0.96 -0.59 -0.66 1.13 2.43 -1.25 -0.91 114.38 113.56 1uiy h ARG 204 Ca -0.06 0.04 0.10 0.00 -0.81 0.00 0.00 59.98 59.25 1uiy h ARG 204 Cb 0.57 0.14 -0.07 0.00 -0.42 0.00 0.00 29.97 30.19 1uiy h ARG 204 CO 0.10 -0.40 0.29 1.25 -1.51 0.00 0.00 179.97 179.70 1uiy h LEU 205 N -0.62 0.33 -0.95 3.80 5.85 -1.53 0.44 115.31 122.64 1uiy h LEU 205 Ca 0.03 0.07 0.10 0.00 0.84 0.00 0.00 57.88 58.92 1uiy h LEU 205 Cb 0.70 0.03 -0.08 0.00 0.37 0.00 0.00 40.66 41.68 1uiy h LEU 205 CO -0.39 0.19 0.59 0.74 -0.34 0.00 0.00 178.44 179.22 1uiy h THR 206 N 0.49 0.96 -0.15 1.05 2.02 -0.75 0.33 112.91 116.87 1uiy h THR 206 Ca 0.33 -0.34 -0.04 0.00 0.77 0.00 0.00 66.41 67.13 1uiy h THR 206 Cb 0.39 -0.11 -0.00 0.00 -1.74 0.00 0.00 68.15 66.69 1uiy h THR 206 CO -0.30 0.18 -0.06 0.11 0.37 0.00 0.00 175.52 175.82 1uiy h LYS 207 N 0.99 0.30 -0.44 6.66 1.57 0.57 -1.74 116.57 124.48 1uiy h LYS 207 Ca 0.45 -0.13 0.09 0.00 -1.87 0.00 0.00 60.65 59.18 1uiy h LYS 207 Cb 0.36 -0.01 -0.08 0.00 0.08 0.00 0.00 32.23 32.58 1uiy h LYS 207 CO -0.23 0.62 -0.03 1.49 -0.57 0.00 0.00 179.45 180.73 1uiy h GLU 208 N -0.02 0.08 -0.05 3.15 4.57 0.11 -2.08 114.58 120.34 1uiy h GLU 208 Ca 0.03 -0.00 0.01 0.00 -1.18 0.00 0.00 59.36 58.22 1uiy h GLU 208 Cb 0.53 -0.02 -0.01 0.00 -0.16 0.00 0.00 28.75 29.09 1uiy h GLU 208 CO 0.02 0.05 -0.03 -0.07 -1.18 0.00 0.00 179.01 177.80 1uiy h LEU 209 N 0.08 -0.09 -1.83 1.64 3.38 -0.33 -2.27 115.31 115.89 1uiy h LEU 209 Ca 0.22 0.02 0.00 0.00 0.09 0.00 0.00 57.88 58.21 1uiy h LEU 209 Cb 0.32 0.05 0.00 0.00 0.09 0.00 0.00 40.66 41.13 1uiy h LEU 209 CO -0.39 -0.04 0.00 -0.07 0.09 0.00 0.00 178.44 178.03 1uiy h LEU 210 N -0.03 0.00 0.16 1.67 3.38 -0.67 -1.85 115.31 117.97 1uiy h LEU 210 Ca 0.03 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.99 1uiy h LEU 210 Cb 0.08 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.83 1uiy h LEU 210 CO -0.07 0.00 -0.08 -0.07 0.09 0.00 0.00 178.44 178.31 1uiy h LEU 211 N 0.00 -0.18 -0.49 1.67 3.38 -0.79 -3.40 115.31 115.50 1uiy h LEU 211 Ca 0.00 -0.01 -0.11 0.00 0.09 0.00 0.00 57.88 57.84 1uiy h LEU 211 Cb 0.04 0.05 -0.01 0.00 0.09 0.00 0.00 40.66 40.82 1uiy h LEU 211 CO 0.00 0.30 -0.13 0.00 0.09 0.00 0.00 178.44 178.69 1uiy h ALA 212 N -1.03 0.67 -0.28 1.53 0.00 -1.36 -3.38 119.26 115.42 1uiy h ALA 212 Ca -0.02 -0.35 0.05 0.00 0.00 0.00 0.00 54.91 54.59 1uiy h ALA 212 Cb 0.18 -0.17 -0.08 0.00 0.00 0.00 0.00 17.79 17.73 1uiy h ALA 212 CO 0.04 0.60 -0.44 -0.07 0.00 0.00 0.00 179.25 179.37 1uiy h LEU 213 N 0.80 -1.44 -1.80 0.00 3.38 -1.56 -1.68 115.31 113.01 1uiy h LEU 213 Ca 0.12 0.20 0.48 0.00 0.09 0.00 0.00 57.88 58.77 1uiy h LEU 213 Cb 0.70 0.60 -0.09 0.00 0.09 0.00 0.00 40.66 41.96 1uiy h LEU 213 CO 0.05 -0.40 1.12 -0.65 0.09 0.00 0.00 178.44 178.65 1uiy h PRO 214 N -0.42 0.03 -2.35 1.13 0.11 -1.81 -3.44 132.00 125.26 1uiy h PRO 214 Ca 0.10 -0.00 -0.70 0.00 0.11 0.00 0.00 66.00 65.51 1uiy h PRO 214 Cb 0.61 -0.01 -0.18 0.00 0.11 0.00 0.00 31.00 31.54 1uiy h PRO 214 CO -0.50 0.02 1.56 0.41 -0.21 0.00 0.00 178.00 179.28 1uiy n GLY 215 N -1.76 5.22 3.88 -0.55 0.00 -0.64 -5.15 105.19 106.19 1uiy n GLY 215 Ca 0.38 -2.15 -0.30 0.00 0.00 0.00 0.00 46.02 43.96 1uiy n GLY 215 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1uiy s GLY 217 N -0.08 1.86 0.13 -0.02 0.00 -1.26 -5.09 107.32 102.85 1uiy s GLY 217 Ca 0.52 -0.30 -0.32 0.00 0.00 0.00 0.00 44.72 44.62 1uiy s GLY 217 CO -0.16 -0.12 1.54 -2.00 0.00 0.00 0.00 173.10 172.36 1uiy h LEU 218 N 1.15 -1.88 -0.35 0.66 5.85 -1.99 0.78 115.31 119.53 1uiy h LEU 218 Ca -0.47 0.25 0.05 0.00 0.84 0.00 0.00 57.88 58.55 1uiy h LEU 218 Cb 1.19 0.78 -0.05 0.00 0.37 0.00 0.00 40.66 42.95 1uiy h LEU 218 CO 0.64 -0.38 0.07 -0.33 -0.34 0.00 0.00 178.44 178.09 1uiy h GLU 219 N -0.36 0.18 -0.66 1.25 3.07 -2.04 -0.13 114.58 115.90 1uiy h GLU 219 Ca 0.08 -0.01 0.01 0.00 -0.50 0.00 0.00 59.36 58.94 1uiy h GLU 219 Cb 0.57 -0.04 -0.03 0.00 -0.84 0.00 0.00 28.75 28.41 1uiy h GLU 219 CO -0.63 0.12 0.44 -0.44 -1.40 0.00 0.00 179.01 177.10 1uiy h ASP 220 N 0.19 0.75 -0.78 1.42 3.45 -1.86 0.14 116.42 119.73 1uiy h ASP 220 Ca 0.17 -0.02 0.09 0.00 0.43 0.00 0.00 57.03 57.70 1uiy h ASP 220 Cb 0.19 -0.19 -0.07 0.00 -0.56 0.00 0.00 39.33 38.70 1uiy h ASP 220 CO -0.22 0.54 0.44 1.23 -1.57 0.00 0.00 179.24 179.66 1uiy h GLY 221 N 0.89 1.20 1.90 2.75 0.00 -0.03 0.18 103.07 109.96 1uiy h GLY 221 Ca 0.24 -0.29 -0.07 0.00 0.00 0.00 0.00 47.33 47.21 1uiy h GLY 221 CO -0.05 0.12 -0.30 0.74 0.00 0.00 0.00 176.54 177.05 1uiy h PHE 222 N 0.74 0.13 -0.53 5.60 0.05 0.00 0.14 116.94 123.07 1uiy h PHE 222 Ca 0.38 -0.02 -0.09 0.00 3.82 0.00 0.00 57.97 62.06 1uiy h PHE 222 Cb 0.34 -0.03 -0.02 0.00 2.00 0.00 0.00 35.95 38.23 1uiy h PHE 222 CO -0.07 0.41 0.00 0.00 -0.18 0.00 0.00 178.31 178.47 1uiy h ARG 223 N 0.11 0.94 0.35 1.51 3.08 0.18 -0.49 114.38 120.06 1uiy h ARG 223 Ca 0.02 -0.30 -0.02 0.00 0.07 0.00 0.00 59.98 59.75 1uiy h ARG 223 Cb 0.59 -0.09 0.00 0.00 0.08 0.00 0.00 29.97 30.56 1uiy h ARG 223 CO 0.04 0.96 -0.17 1.25 -1.07 0.00 0.00 179.97 180.98 1uiy h LEU 224 N 0.81 -0.40 -0.14 3.04 5.85 -0.08 -2.83 115.31 121.56 1uiy h LEU 224 Ca 0.15 -0.13 0.05 0.00 0.84 0.00 0.00 57.88 58.79 1uiy h LEU 224 Cb 0.53 0.10 -0.06 0.00 0.37 0.00 0.00 40.66 41.60 1uiy h LEU 224 CO 0.03 -0.08 -0.33 0.00 -0.34 0.00 0.00 178.44 177.71 1uiy h ALA 225 N -0.20 -0.39 -0.50 1.25 0.00 -0.67 -1.32 119.26 117.43 1uiy h ALA 225 Ca -0.05 0.02 0.09 0.00 0.00 0.00 0.00 54.91 54.98 1uiy h ALA 225 Cb 0.50 0.63 -0.10 0.00 0.00 0.00 0.00 17.79 18.82 1uiy h ALA 225 CO 0.08 -0.81 -0.30 0.00 0.00 0.00 0.00 179.25 178.22 1uiy h ALA 226 N 0.40 -0.03 -0.82 0.00 0.00 -1.14 0.62 119.26 118.28 1uiy h ALA 226 Ca 0.10 0.15 0.09 0.00 0.00 0.00 0.00 54.91 55.24 1uiy h ALA 226 Cb 0.56 0.68 -0.07 0.00 0.00 0.00 0.00 17.79 18.96 1uiy h ALA 226 CO -0.36 -0.65 0.48 1.25 0.00 0.00 0.00 179.25 179.96 1uiy h LEU 227 N -0.18 0.70 0.14 0.00 5.85 -1.17 -0.16 115.31 120.49 1uiy h LEU 227 Ca 0.21 0.04 -0.01 0.00 0.84 0.00 0.00 57.88 58.97 1uiy h LEU 227 Cb 0.52 -0.10 0.00 0.00 0.37 0.00 0.00 40.66 41.46 1uiy h LEU 227 CO -0.60 0.41 -0.07 0.00 -0.34 0.00 0.00 178.44 177.85 1uiy h ALA 228 N 1.44 -0.19 -1.18 1.25 0.00 0.25 -0.51 119.26 120.33 1uiy h ALA 228 Ca 0.39 -0.20 0.34 0.00 0.00 0.00 0.00 54.91 55.43 1uiy h ALA 228 Cb 0.32 0.07 -0.09 0.00 0.00 0.00 0.00 17.79 18.09 1uiy h ALA 228 CO -0.23 -0.40 0.78 -0.97 0.00 0.00 0.00 179.25 178.43 1uiy h ASN 229 N -0.61 0.28 0.19 0.00 -1.24 0.56 -0.18 115.58 114.57 1uiy h ASN 229 Ca -0.02 0.07 -0.01 0.00 0.71 0.00 0.00 56.30 57.05 1uiy h ASN 229 Cb 0.46 0.04 0.00 0.00 0.73 0.00 0.00 38.32 39.55 1uiy h ASN 229 CO 0.03 -0.00 -0.09 0.00 -1.29 0.00 0.00 177.43 176.08 1uiy h ALA 230 N 1.54 -0.46 -0.77 1.57 0.00 -0.66 -3.31 119.26 117.17 1uiy h ALA 230 Ca 0.65 -0.06 0.14 0.00 0.00 0.00 0.00 54.91 55.65 1uiy h ALA 230 Cb 2.03 0.10 -0.14 0.00 0.00 0.00 0.00 17.79 19.77 1uiy h ALA 230 CO -0.25 -0.44 -0.29 2.35 0.00 0.00 0.00 179.25 180.62 1uiy h TRP 231 N -0.54 -0.75 -0.76 0.00 7.01 0.17 0.12 115.95 121.19 1uiy h TRP 231 Ca -0.03 0.08 0.22 0.00 2.11 0.00 0.00 58.89 61.28 1uiy h TRP 231 Cb 0.19 0.45 -0.03 0.00 -2.10 0.00 0.00 29.16 27.67 1uiy h TRP 231 CO 0.05 -0.37 0.70 -0.24 -2.79 0.00 0.00 178.44 175.79 1uiy h VAL 232 N -0.06 0.33 0.00 2.65 3.04 -1.22 -1.10 116.25 119.88 1uiy h VAL 232 Ca 0.32 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 66.01 1uiy h VAL 232 Cb 0.58 0.46 0.00 0.00 -2.01 0.00 0.00 31.29 30.32 1uiy h VAL 232 CO -0.82 0.00 0.00 0.54 -1.01 0.00 0.00 177.57 176.28 1uiy n ARG 233 N -3.79 0.80 -0.41 4.17 1.74 0.41 -2.75 116.66 116.82 1uiy n ARG 233 Ca 0.16 0.00 0.03 0.00 -0.77 0.00 0.00 57.85 57.27 1uiy n ARG 233 Cb 0.97 -1.03 0.05 0.00 -1.02 0.00 0.00 32.46 31.43 1uiy n ARG 233 CO 0.00 0.00 0.00 0.39 -1.52 0.00 0.00 177.63 176.50 1uiy n GLU 234 N -0.46 0.41 -3.69 5.56 1.02 -0.42 -5.02 120.64 118.05 1uiy n GLU 234 Ca 0.00 -1.55 -0.33 0.00 -0.02 0.00 0.00 57.16 55.25 1uiy n GLU 234 Cb 0.01 -0.80 -0.05 0.00 -0.02 0.00 0.00 31.44 30.58 1uiy n GLU 234 CO 0.00 0.00 0.00 0.95 1.18 0.00 0.00 177.13 179.26 1uiy s THR 235 N -0.92 5.20 0.15 2.62 -4.23 -1.11 -5.02 115.64 112.33 1uiy s THR 235 Ca 0.12 0.17 -0.17 0.00 -1.18 0.00 0.00 61.69 60.63 1uiy s THR 235 Cb 0.11 -3.61 0.03 0.00 1.34 0.00 0.00 72.50 70.36 1uiy s THR 235 CO 0.00 0.22 1.72 1.23 -0.54 0.00 0.00 174.62 177.25 1uiy h GLY 236 N 3.45 0.36 0.14 3.99 0.00 -1.98 -2.02 103.07 107.02 1uiy h GLY 236 Ca -0.48 0.01 0.20 0.00 0.00 0.00 0.00 47.33 47.06 1uiy h GLY 236 CO 0.69 -0.05 0.62 -0.55 0.00 0.00 0.00 176.54 177.25 1uiy h ASP 237 N 0.14 0.64 -0.38 0.19 3.45 -1.95 1.19 116.42 119.71 1uiy h ASP 237 Ca 0.16 0.08 -0.08 0.00 0.43 0.00 0.00 57.03 57.62 1uiy h ASP 237 Cb 0.20 -0.03 -0.01 0.00 -0.56 0.00 0.00 39.33 38.92 1uiy h ASP 237 CO -0.24 0.22 -0.10 0.25 -1.57 0.00 0.00 179.24 177.81 1uiy h LEU 238 N 0.62 0.73 0.26 1.55 5.85 -1.68 0.31 115.31 122.96 1uiy h LEU 238 Ca 0.55 -0.37 -0.01 0.00 0.84 0.00 0.00 57.88 58.90 1uiy h LEU 238 Cb 1.05 -0.20 -0.00 0.00 0.37 0.00 0.00 40.66 41.88 1uiy h LEU 238 CO -0.31 0.93 -0.15 0.00 -0.34 0.00 0.00 178.44 178.57 1uiy h ALA 239 N 0.83 -0.37 -0.11 1.25 0.00 0.31 -0.40 119.26 120.76 1uiy h ALA 239 Ca 0.09 -0.08 0.04 0.00 0.00 0.00 0.00 54.91 54.97 1uiy h ALA 239 Cb 0.61 0.17 -0.05 0.00 0.00 0.00 0.00 17.79 18.52 1uiy h ALA 239 CO 0.04 -0.72 -0.20 1.49 0.00 0.00 0.00 179.25 179.86 1uiy h GLU 240 N -0.38 -0.25 0.32 0.00 4.57 0.14 -1.88 114.58 117.09 1uiy h GLU 240 Ca -0.03 0.02 -0.00 0.00 -1.18 0.00 0.00 59.36 58.17 1uiy h GLU 240 Cb 0.31 0.06 -0.02 0.00 -0.16 0.00 0.00 28.75 28.94 1uiy h GLU 240 CO 0.04 -0.17 -0.28 0.78 -1.18 0.00 0.00 179.01 178.20 1uiy h GLY 241 N -0.26 -0.65 0.95 1.92 0.00 -0.19 -1.29 103.07 103.56 1uiy h GLY 241 Ca 0.09 0.31 0.11 0.00 0.00 0.00 0.00 47.33 47.85 1uiy h GLY 241 CO -0.27 -0.25 0.43 -2.22 0.00 0.00 0.00 176.54 174.23 1uiy h ILE 242 N -0.61 0.87 0.40 2.60 2.04 -0.97 -0.75 117.51 121.09 1uiy h ILE 242 Ca -0.02 -0.14 -0.02 0.00 1.00 0.00 0.00 64.86 65.68 1uiy h ILE 242 Cb 0.54 0.42 0.00 0.00 -0.74 0.00 0.00 36.82 37.04 1uiy h ILE 242 CO -0.03 0.08 -0.19 0.03 0.00 0.00 0.00 178.15 178.03 1uiy h ARG 243 N 0.42 -0.52 -1.40 2.37 3.08 -0.96 -2.11 114.38 115.28 1uiy h ARG 243 Ca 0.30 0.04 0.40 0.00 0.07 0.00 0.00 59.98 60.79 1uiy h ARG 243 Cb 0.61 0.12 -0.06 0.00 0.08 0.00 0.00 29.97 30.72 1uiy h ARG 243 CO -0.09 -0.34 1.14 0.00 -1.07 0.00 0.00 179.97 179.61 1uiy h ALA 244 N -1.60 3.30 0.01 0.04 0.00 -0.71 1.36 119.26 121.66 1uiy h ALA 244 Ca -0.05 -0.05 -0.21 0.00 0.00 0.00 0.00 54.91 54.60 1uiy h ALA 244 Cb 0.41 0.10 0.02 0.00 0.00 0.00 0.00 17.79 18.32 1uiy h ALA 244 CO 0.09 -1.86 -0.83 0.35 0.00 0.00 0.00 179.25 177.01 1uiy h PHE 245 N 0.00 0.80 -0.03 0.00 3.04 -0.97 0.39 116.94 120.18 1uiy h PHE 245 Ca 0.66 -0.45 0.00 0.00 3.98 0.00 0.00 57.97 62.16 1uiy h PHE 245 Cb 2.93 -0.09 0.00 0.00 2.56 0.00 0.00 35.95 41.36 1uiy h PHE 245 CO 0.00 1.28 0.00 1.19 -2.02 0.00 0.00 178.31 178.76 1uiy n PHE 246 N -4.05 0.04 -1.11 0.41 3.72 0.45 -2.50 117.46 114.42 1uiy n PHE 246 Ca -0.11 -0.02 0.04 0.00 -0.05 0.00 0.00 57.45 57.32 1uiy n PHE 246 Cb 0.78 0.00 0.06 0.00 -0.94 0.00 0.00 39.48 39.38 1uiy n PHE 246 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 176.76 177.10 1uiy n GLU 247 N -0.55 1.11 -3.73 -1.08 1.02 -0.15 -4.99 120.64 112.28 1uiy n GLU 247 Ca 0.09 -1.74 -0.23 0.00 -0.02 0.00 0.00 57.16 55.27 1uiy n GLU 247 Cb 0.07 -1.03 -0.07 0.00 -0.02 0.00 0.00 31.44 30.39 1uiy n GLU 247 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 1uiy n LYS 248 N -0.73 -0.94 -4.19 3.49 5.02 -0.94 -4.88 118.16 114.99 1uiy n LYS 248 Ca 0.07 0.07 -0.13 0.00 -2.02 0.00 0.00 58.31 56.30 1uiy n LYS 248 Cb 0.57 -2.58 -0.10 0.00 -0.02 0.00 0.00 35.03 32.90 1uiy n LYS 248 CO 0.00 0.00 0.00 -0.98 -0.52 0.00 0.00 177.40 175.90 1uiy s ARG 249 N -5.91 0.89 0.28 1.97 1.70 0.09 -5.05 118.95 112.91 1uiy s ARG 249 Ca 0.08 -1.30 -0.29 0.00 -0.47 0.00 0.00 55.73 53.75 1uiy s ARG 249 Cb -0.05 -0.40 -0.10 0.00 -0.57 0.00 0.00 34.95 33.83 1uiy s ARG 249 CO 0.69 0.03 1.27 -2.14 -1.08 0.00 0.00 175.30 174.07 1uiy s PRO 250 N -3.47 4.42 0.27 3.89 0.02 -1.26 -4.37 135.00 134.50 1uiy s PRO 250 Ca 0.11 2.09 -0.29 0.00 0.02 0.00 0.00 61.00 62.92 1uiy s PRO 250 Cb 0.02 -3.13 -0.10 0.00 0.02 0.00 0.00 34.50 31.31 1uiy s PRO 250 CO -0.02 -0.13 1.31 -2.14 -0.33 0.00 0.00 177.00 175.69 1uiy s PRO 251 N -1.19 4.38 -0.73 5.54 0.02 -1.26 -4.93 135.00 136.84 1uiy s PRO 251 Ca 0.51 2.14 0.04 0.00 0.02 0.00 0.00 61.00 63.71 1uiy s PRO 251 Cb -0.37 -3.13 0.26 0.00 0.02 0.00 0.00 34.50 31.28 1uiy s PRO 251 CO 0.46 -0.21 0.87 0.54 -0.33 0.00 0.00 177.00 178.33 1uiy n ARG 252 N 1.66 2.86 0.00 5.54 1.74 -1.26 -5.09 116.66 122.11 1uiy n ARG 252 Ca 0.03 -4.65 0.04 0.00 -0.77 0.00 0.00 57.85 52.50 1uiy n ARG 252 Cb 0.42 -2.31 0.23 0.00 -1.02 0.00 0.00 32.46 29.79 1uiy n ARG 252 CO 0.00 0.00 0.00 1.19 -1.52 0.00 0.00 177.63 177.30