#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1i8a s VAL 1 N 0.00 1.28 0.29 1.12 -7.23 -1.26 -0.58 120.40 114.02 1i8a s VAL 1 Ca 0.00 -1.00 -0.04 0.00 -1.81 0.00 0.00 61.98 59.12 1i8a s VAL 1 Cb 0.00 -1.13 -0.01 0.00 0.56 0.00 0.00 36.38 35.80 1i8a s VAL 1 CO 0.00 0.11 0.39 0.00 -0.31 0.00 0.00 175.10 175.30 1i8a s ALA 2 N -0.76 0.64 0.11 1.32 0.00 -0.32 -4.97 121.76 117.78 1i8a s ALA 2 Ca 0.04 -1.42 0.03 0.00 0.00 0.00 0.00 51.96 50.62 1i8a s ALA 2 Cb -0.08 1.20 -0.04 0.00 0.00 0.00 0.00 23.12 24.20 1i8a s ALA 2 CO 0.01 -0.76 -0.09 0.95 0.00 0.00 0.00 175.76 175.87 1i8a s THR 3 N -3.56 0.94 -0.06 0.00 -4.23 -1.26 -0.92 115.64 106.54 1i8a s THR 3 Ca 0.31 -1.84 -0.00 0.00 -1.18 0.00 0.00 61.69 58.97 1i8a s THR 3 Cb 0.01 -1.58 0.03 0.00 1.34 0.00 0.00 72.50 72.29 1i8a s THR 3 CO 0.16 -0.70 -0.02 0.00 -0.54 0.00 0.00 174.62 173.52 1i8a s ALA 4 N -3.02 0.64 0.47 3.99 0.00 -0.41 -4.54 121.76 118.90 1i8a s ALA 4 Ca 0.10 -0.06 -0.18 0.00 0.00 0.00 0.00 51.96 51.82 1i8a s ALA 4 Cb 0.01 -0.57 -0.09 0.00 0.00 0.00 0.00 23.12 22.47 1i8a s ALA 4 CO -0.01 -0.24 0.95 0.15 0.00 0.00 0.00 175.76 176.61 1i8a s LYS 5 N 1.43 4.06 0.29 0.00 -0.14 -1.20 -1.02 119.74 123.16 1i8a s LYS 5 Ca -0.03 0.98 -0.29 0.00 -1.36 0.00 0.00 55.97 55.27 1i8a s LYS 5 Cb -0.13 -2.18 -0.10 0.00 -1.68 0.00 0.00 37.83 33.74 1i8a s LYS 5 CO -0.03 -0.14 1.29 -0.47 -0.76 0.00 0.00 175.35 175.24 1i8a s TYR 6 N -2.41 3.16 0.00 3.18 5.04 -0.49 -1.99 117.35 123.85 1i8a s TYR 6 Ca 0.60 1.37 0.00 0.00 -2.44 0.00 0.00 57.07 56.60 1i8a s TYR 6 Cb -0.10 -3.62 0.00 0.00 0.35 0.00 0.00 41.96 38.59 1i8a s TYR 6 CO 0.23 -1.76 0.00 0.41 -1.34 0.00 0.00 175.55 173.09 1i8a n GLY 7 N 1.33 1.98 2.75 8.97 0.00 0.88 -4.80 105.19 116.30 1i8a n GLY 7 Ca 0.02 -0.78 -0.30 0.00 0.00 0.00 0.00 46.02 44.96 1i8a n GLY 7 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1i8a s THR 8 N -2.00 1.17 0.63 2.61 2.01 -1.26 -3.78 115.64 115.02 1i8a s THR 8 Ca 0.00 -1.89 -0.08 0.00 0.31 0.00 0.00 61.69 60.04 1i8a s THR 8 Cb 0.00 -1.86 0.01 0.00 0.01 0.00 0.00 72.50 70.66 1i8a s THR 8 CO 0.00 -0.75 0.97 -2.16 -0.69 0.00 0.00 174.62 171.98 1i8a s PRO 9 N 1.11 2.84 -0.21 4.92 0.04 -1.26 -5.05 135.00 137.39 1i8a s PRO 9 Ca 0.13 0.11 -0.16 0.00 0.04 0.00 0.00 61.00 61.12 1i8a s PRO 9 Cb -0.20 -2.19 -0.04 0.00 0.04 0.00 0.00 34.50 32.11 1i8a s PRO 9 CO -0.14 -0.84 0.38 0.08 0.04 0.00 0.00 177.00 176.52 1i8a s VAL 10 N -3.12 5.20 -0.63 -0.36 1.01 -1.26 -5.02 120.40 116.22 1i8a s VAL 10 Ca 0.56 0.67 -0.28 0.00 0.00 0.00 0.00 61.98 62.93 1i8a s VAL 10 Cb -0.11 -3.72 0.02 0.00 0.00 0.00 0.00 36.38 32.58 1i8a s VAL 10 CO 0.47 0.25 1.33 -0.63 0.00 0.00 0.00 175.10 176.51 1i8a s ILE 11 N 1.36 3.81 0.00 2.22 -1.09 -1.26 -4.58 121.20 121.66 1i8a s ILE 11 Ca 0.18 0.63 0.00 0.00 -2.23 0.00 0.00 60.65 59.23 1i8a s ILE 11 Cb -0.15 -4.66 0.00 0.00 -1.58 0.00 0.00 42.46 36.07 1i8a s ILE 11 CO 0.08 -1.44 0.00 -0.90 -1.23 0.00 0.00 174.94 171.45 1i8a n ASP 12 N 9.34 0.00 0.00 3.58 5.68 -1.26 -4.82 116.55 129.08 1i8a n ASP 12 Ca 0.08 -0.56 0.00 0.00 -0.50 0.00 0.00 54.79 53.81 1i8a n ASP 12 Cb 0.49 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.47 1i8a n ASP 12 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1i8a n GLY 13 N 0.00 0.76 3.88 6.12 0.00 -1.26 -4.71 105.19 109.98 1i8a n GLY 13 Ca 0.00 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.68 1i8a n GLY 13 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1i8a s GLU 14 N -0.71 3.61 -0.60 1.61 0.41 -1.26 -4.65 118.70 117.11 1i8a s GLU 14 Ca 0.00 -0.04 -0.24 0.00 -0.41 0.00 0.00 54.97 54.28 1i8a s GLU 14 Cb 0.00 -3.04 0.05 0.00 -1.78 0.00 0.00 34.13 29.36 1i8a s GLU 14 CO 0.00 0.61 0.98 0.42 -0.49 0.00 0.00 175.26 176.78 1i8a s ILE 15 N -1.36 4.31 0.74 -1.63 1.01 -1.26 -4.96 121.20 118.05 1i8a s ILE 15 Ca 0.30 0.10 -0.15 0.00 0.00 0.00 0.00 60.65 60.91 1i8a s ILE 15 Cb -0.13 -4.62 0.05 0.00 0.01 0.00 0.00 42.46 37.77 1i8a s ILE 15 CO 0.18 -1.28 1.20 -1.81 0.00 0.00 0.00 174.94 173.23 1i8a s ASP 16 N 3.17 4.13 0.33 3.58 1.11 -1.26 -4.91 116.67 122.83 1i8a s ASP 16 Ca 0.28 2.34 0.03 0.00 0.18 0.00 0.00 52.55 55.38 1i8a s ASP 16 Cb -0.13 -2.59 0.59 0.00 1.07 0.00 0.00 42.92 41.86 1i8a s ASP 16 CO 0.16 -2.30 1.92 -0.08 1.18 0.00 0.00 175.17 176.05 1i8a h GLU 17 N -0.40 0.69 -0.07 8.23 4.81 -2.03 -2.79 114.58 123.03 1i8a h GLU 17 Ca -0.47 -0.10 0.02 0.00 -0.13 0.00 0.00 59.36 58.68 1i8a h GLU 17 Cb 1.29 -0.13 -0.00 0.00 0.63 0.00 0.00 28.75 30.54 1i8a h GLU 17 CO 0.49 0.58 0.10 0.97 -0.73 0.00 0.00 179.01 180.42 1i8a h ILE 18 N 0.69 0.38 0.00 2.32 2.10 -1.99 -1.56 117.51 119.45 1i8a h ILE 18 Ca 0.17 0.00 -0.01 0.00 1.08 0.00 0.00 64.86 66.09 1i8a h ILE 18 Cb 0.15 0.92 -0.00 0.00 -1.09 0.00 0.00 36.82 36.80 1i8a h ILE 18 CO -0.01 0.00 -0.05 -0.50 -1.08 0.00 0.00 178.15 176.50 1i8a h TRP 19 N 0.00 0.00 0.00 2.19 4.06 -1.86 -1.58 115.95 118.76 1i8a h TRP 19 Ca 0.03 0.00 0.00 0.00 2.06 0.00 0.00 58.89 60.98 1i8a h TRP 19 Cb 0.22 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.38 1i8a h TRP 19 CO 0.00 0.05 0.00 -0.91 -3.56 0.00 0.00 178.44 174.02 1i8a h ASN 20 N 0.00 0.00 0.65 -3.49 2.35 -1.48 -2.93 115.58 110.68 1i8a h ASN 20 Ca -0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 1i8a h ASN 20 Cb 0.11 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.48 1i8a h ASN 20 CO 0.01 0.00 -0.11 0.35 -1.65 0.00 0.00 177.43 176.03 1i8a n THR 21 N -2.56 0.00 -4.34 2.81 -2.24 -0.59 -4.85 114.28 102.50 1i8a n THR 21 Ca 0.01 -0.02 -0.28 0.00 -2.27 0.00 0.00 64.05 61.48 1i8a n THR 21 Cb 0.20 -0.27 -0.11 0.00 -2.10 0.00 0.00 70.33 68.05 1i8a n THR 21 CO 0.00 0.00 0.00 0.28 -0.57 0.00 0.00 175.07 174.78 1i8a s THR 22 N -2.76 2.73 0.77 4.28 -1.32 -1.11 -4.87 115.64 113.36 1i8a s THR 22 Ca 0.21 -1.67 -0.13 0.00 -1.21 0.00 0.00 61.69 58.89 1i8a s THR 22 Cb 0.19 -2.28 0.06 0.00 -1.51 0.00 0.00 72.50 68.96 1i8a s THR 22 CO 0.53 0.02 1.14 -1.83 -2.21 0.00 0.00 174.62 172.27 1i8a s GLU 23 N -2.36 2.05 -0.13 7.08 -1.05 -1.26 -4.91 118.70 118.12 1i8a s GLU 23 Ca 0.19 1.49 -0.04 0.00 -0.15 0.00 0.00 54.97 56.46 1i8a s GLU 23 Cb -0.10 -1.85 -0.03 0.00 -0.44 0.00 0.00 34.13 31.71 1i8a s GLU 23 CO 0.10 -1.85 -0.00 -2.00 0.95 0.00 0.00 175.26 172.46 1i8a s GLU 24 N -4.36 3.47 0.24 -4.83 2.12 -1.26 -4.29 118.70 109.79 1i8a s GLU 24 Ca 0.68 -0.44 0.11 0.00 0.36 0.00 0.00 54.97 55.67 1i8a s GLU 24 Cb -0.23 -2.93 -0.05 0.00 0.26 0.00 0.00 34.13 31.19 1i8a s GLU 24 CO 0.50 0.42 -0.13 0.96 -0.54 0.00 0.00 175.26 176.47 1i8a s ILE 25 N -0.10 2.87 0.14 -3.70 -4.36 0.46 -4.92 121.20 111.58 1i8a s ILE 25 Ca 0.04 -2.03 0.10 0.00 -0.26 0.00 0.00 60.65 58.50 1i8a s ILE 25 Cb -0.13 -2.47 -0.04 0.00 1.25 0.00 0.00 42.46 41.07 1i8a s ILE 25 CO 0.02 -0.27 -0.22 -1.61 0.24 0.00 0.00 174.94 173.10 1i8a s GLU 26 N -3.23 1.61 -0.67 0.37 0.41 -1.26 -0.77 118.70 115.17 1i8a s GLU 26 Ca 0.27 -1.31 -0.21 0.00 -0.41 0.00 0.00 54.97 53.31 1i8a s GLU 26 Cb -0.07 -1.99 0.09 0.00 -1.78 0.00 0.00 34.13 30.38 1i8a s GLU 26 CO 0.15 0.45 0.90 0.95 -0.49 0.00 0.00 175.26 177.22 1i8a s THR 27 N -1.25 4.53 0.00 3.63 -4.23 -1.07 -4.56 115.64 112.70 1i8a s THR 27 Ca 0.17 -0.70 0.00 0.00 -1.18 0.00 0.00 61.69 59.98 1i8a s THR 27 Cb -0.10 -4.63 0.00 0.00 1.34 0.00 0.00 72.50 69.11 1i8a s THR 27 CO 0.09 -1.36 0.69 0.29 -0.54 0.00 0.00 174.62 173.79 1i8a n LYS 28 N 7.13 0.63 -2.91 3.99 5.02 -0.73 -4.65 118.16 126.65 1i8a n LYS 28 Ca -0.03 -0.89 -0.43 0.00 -2.02 0.00 0.00 58.31 54.94 1i8a n LYS 28 Cb 0.45 -0.98 -0.04 0.00 -0.02 0.00 0.00 35.03 34.43 1i8a n LYS 28 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1i8a s ALA 29 N -0.40 3.19 -0.11 7.82 0.00 0.62 -4.94 121.76 127.94 1i8a s ALA 29 Ca 0.00 -1.64 -0.21 0.00 0.00 0.00 0.00 51.96 50.12 1i8a s ALA 29 Cb 0.00 -3.72 -0.04 0.00 0.00 0.00 0.00 23.12 19.36 1i8a s ALA 29 CO 0.00 -2.50 0.60 0.08 0.00 0.00 0.00 175.76 173.93 1i8a s VAL 30 N 3.74 5.10 -0.14 0.00 1.01 -1.26 -0.79 120.40 128.07 1i8a s VAL 30 Ca 0.23 1.20 0.07 0.00 0.00 0.00 0.00 61.98 63.48 1i8a s VAL 30 Cb -0.16 -3.93 -0.13 0.00 0.00 0.00 0.00 36.38 32.15 1i8a s VAL 30 CO 0.13 0.25 -0.03 0.00 0.00 0.00 0.00 175.10 175.45 1i8a n ALA 31 N 3.99 1.68 -3.30 5.51 0.00 0.30 -4.63 120.51 124.06 1i8a n ALA 31 Ca -0.04 -0.77 -0.13 0.00 0.00 0.00 0.00 53.44 52.50 1i8a n ALA 31 Cb 0.51 0.04 -0.10 0.00 0.00 0.00 0.00 19.45 19.91 1i8a n ALA 31 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 177.50 178.91 1i8a s MET 32 N -2.31 0.49 1.35 0.00 -2.45 -0.75 -4.92 119.30 110.71 1i8a s MET 32 Ca -0.13 0.51 0.00 0.00 -1.25 0.00 0.00 55.69 54.83 1i8a s MET 32 Cb 0.04 0.24 0.00 0.00 1.25 0.00 0.00 34.83 36.36 1i8a s MET 32 CO 0.45 -0.07 0.00 0.41 1.05 0.00 0.00 175.02 176.87 1i8a n GLY 33 N 2.75 -1.52 3.13 2.11 0.00 -1.21 -0.99 105.19 109.45 1i8a n GLY 33 Ca -0.14 -1.54 -0.10 0.00 0.00 0.00 0.00 46.02 44.24 1i8a n GLY 33 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1i8a s SER 34 N -4.00 0.11 0.36 1.61 1.04 -1.26 -4.99 113.70 106.56 1i8a s SER 34 Ca 0.00 -0.42 0.06 0.00 0.48 0.00 0.00 55.95 56.07 1i8a s SER 34 Cb 0.00 0.23 0.73 0.00 0.10 0.00 0.00 66.02 67.09 1i8a s SER 34 CO 0.00 -0.48 1.96 -0.07 0.98 0.00 0.00 173.24 175.62 1i8a h LEU 35 N 3.77 0.67 0.00 2.42 3.38 -1.94 0.21 115.31 123.82 1i8a h LEU 35 Ca -0.32 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.65 1i8a h LEU 35 Cb 1.19 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 41.80 1i8a h LEU 35 CO 0.47 0.44 -0.36 -2.24 0.09 0.00 0.00 178.44 176.84 1i8a h ASP 36 N 0.76 0.00 0.00 -0.43 2.03 -2.00 -3.37 116.42 113.42 1i8a h ASP 36 Ca 0.31 -0.05 -0.03 0.00 -0.73 0.00 0.00 57.03 56.53 1i8a h ASP 36 Cb 0.25 0.00 -0.01 0.00 -0.83 0.00 0.00 39.33 38.74 1i8a h ASP 36 CO -0.10 0.03 -1.49 0.29 -1.03 0.00 0.00 179.24 176.93 1i8a n LYS 37 N -2.56 0.70 -4.31 4.15 4.01 -0.94 -5.06 118.16 114.15 1i8a n LYS 37 Ca 0.03 -0.08 -0.25 0.00 -0.51 0.00 0.00 58.31 57.51 1i8a n LYS 37 Cb 0.49 -1.24 -0.09 0.00 -0.51 0.00 0.00 35.03 33.68 1i8a n LYS 37 CO 0.00 0.00 0.00 -0.80 -1.11 0.00 0.00 177.40 175.49 1i8a s ASN 38 N -3.34 4.21 0.25 4.39 -0.87 0.70 -4.93 114.94 115.36 1i8a s ASN 38 Ca -0.04 -1.07 -0.31 0.00 -1.57 0.00 0.00 52.86 49.87 1i8a s ASN 38 Cb 0.06 -0.50 -0.12 0.00 -0.02 0.00 0.00 41.25 40.66 1i8a s ASN 38 CO 0.41 -0.36 1.55 0.00 -2.57 0.00 0.00 177.10 176.14 1i8a n ALA 39 N -1.04 2.01 -2.17 0.60 0.00 -1.26 -4.75 120.51 113.90 1i8a n ALA 39 Ca -0.03 0.40 -0.09 0.00 0.00 0.00 0.00 53.44 53.71 1i8a n ALA 39 Cb 0.64 -2.40 -0.10 0.00 0.00 0.00 0.00 19.45 17.59 1i8a n ALA 39 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 1i8a s THR 40 N 0.23 0.12 0.05 0.00 -4.23 -1.17 -4.70 115.64 105.94 1i8a s THR 40 Ca 0.68 -1.86 0.02 0.00 -1.18 0.00 0.00 61.69 59.36 1i8a s THR 40 Cb -0.57 -1.92 -0.03 0.00 1.34 0.00 0.00 72.50 71.33 1i8a s THR 40 CO 0.46 -0.57 -0.08 0.00 -0.54 0.00 0.00 174.62 173.89 1i8a s ALA 41 N -4.02 0.61 -0.23 3.99 0.00 -1.26 -0.58 121.76 120.27 1i8a s ALA 41 Ca 0.20 -0.82 -0.09 0.00 0.00 0.00 0.00 51.96 51.26 1i8a s ALA 41 Cb 0.07 0.05 -0.04 0.00 0.00 0.00 0.00 23.12 23.21 1i8a s ALA 41 CO -0.01 -0.04 0.10 0.15 0.00 0.00 0.00 175.76 175.97 1i8a s LYS 42 N -1.77 3.91 -0.00 0.00 1.02 -0.13 -2.59 119.74 120.17 1i8a s LYS 42 Ca -0.08 -0.36 0.07 0.00 0.02 0.00 0.00 55.97 55.61 1i8a s LYS 42 Cb -0.09 -3.37 -0.02 0.00 -0.52 0.00 0.00 37.83 33.83 1i8a s LYS 42 CO -0.00 0.04 -0.21 0.08 -0.92 0.00 0.00 175.35 174.35 1i8a s VAL 43 N 1.04 1.64 0.03 3.17 1.01 0.05 -0.52 120.40 126.82 1i8a s VAL 43 Ca 0.05 -0.96 0.06 0.00 0.00 0.00 0.00 61.98 61.13 1i8a s VAL 43 Cb -0.14 -1.38 -0.02 0.00 0.00 0.00 0.00 36.38 34.85 1i8a s VAL 43 CO 0.04 0.40 -0.16 -0.13 0.00 0.00 0.00 175.10 175.24 1i8a s ARG 44 N -0.66 1.13 -0.01 2.72 0.52 -0.24 -0.41 118.95 122.00 1i8a s ARG 44 Ca 0.08 -0.78 0.03 0.00 -0.52 0.00 0.00 55.73 54.54 1i8a s ARG 44 Cb -0.08 -1.16 -0.01 0.00 0.52 0.00 0.00 34.95 34.22 1i8a s ARG 44 CO -0.00 0.30 -0.11 0.08 0.02 0.00 0.00 175.30 175.58 1i8a s VAL 45 N -0.75 0.92 0.25 3.52 1.01 -1.26 -1.02 120.40 123.07 1i8a s VAL 45 Ca 0.04 -0.48 0.02 0.00 0.00 0.00 0.00 61.98 61.56 1i8a s VAL 45 Cb -0.08 -0.78 -0.05 0.00 0.00 0.00 0.00 36.38 35.47 1i8a s VAL 45 CO 0.01 0.26 0.07 -0.76 0.00 0.00 0.00 175.10 174.69 1i8a s LEU 46 N -0.15 1.78 0.16 3.92 1.43 -0.23 -3.26 118.68 122.34 1i8a s LEU 46 Ca 0.02 -1.35 -0.20 0.00 -1.03 0.00 0.00 54.13 51.58 1i8a s LEU 46 Cb -0.06 -0.05 0.05 0.00 0.03 0.00 0.00 46.19 46.16 1i8a s LEU 46 CO -0.00 -0.68 0.53 -1.66 0.23 0.00 0.00 176.35 174.77 1i8a s TRP 47 N -3.67 -0.33 0.32 0.29 1.48 -0.84 0.48 118.94 116.66 1i8a s TRP 47 Ca 0.35 0.05 -0.04 0.00 -1.06 0.00 0.00 56.10 55.41 1i8a s TRP 47 Cb 0.08 0.44 0.01 0.00 -1.16 0.00 0.00 33.47 32.84 1i8a s TRP 47 CO 0.12 -0.84 0.48 -0.40 -4.06 0.00 0.00 176.95 172.25 1i8a n ASP 48 N -0.33 -1.35 0.21 -2.66 5.68 -0.64 -0.08 116.55 117.37 1i8a n ASP 48 Ca -0.14 -2.65 0.17 0.00 -0.50 0.00 0.00 54.79 51.67 1i8a n ASP 48 Cb 0.64 2.46 0.84 0.00 -1.14 0.00 0.00 41.12 43.91 1i8a n ASP 48 CO 0.00 0.00 0.00 -0.33 -1.33 0.00 0.00 177.20 175.54 1i8a h GLU 49 N 0.00 0.00 0.00 0.11 3.07 -1.96 -3.22 114.58 112.59 1i8a h GLU 49 Ca -0.25 0.00 -0.16 0.00 -0.50 0.00 0.00 59.36 58.45 1i8a h GLU 49 Cb 1.07 0.00 -0.03 0.00 -0.84 0.00 0.00 28.75 28.95 1i8a h GLU 49 CO 0.34 0.00 -1.78 0.09 -1.40 0.00 0.00 179.01 176.26 1i8a n ASN 50 N -3.76 1.93 -4.15 1.42 3.02 -1.26 -4.47 115.26 107.99 1i8a n ASN 50 Ca 0.01 0.00 -0.10 0.00 -0.03 0.00 0.00 54.58 54.46 1i8a n ASN 50 Cb 0.32 1.05 -0.10 0.00 -0.61 0.00 0.00 39.78 40.44 1i8a n ASN 50 CO 0.00 0.00 0.00 -0.31 -2.62 0.00 0.00 177.26 174.33 1i8a s TYR 51 N -2.49 0.90 -0.10 3.10 1.51 -1.22 -1.60 117.35 117.45 1i8a s TYR 51 Ca -0.06 -1.25 0.01 0.00 -1.01 0.00 0.00 57.07 54.76 1i8a s TYR 51 Cb 0.05 -0.49 -0.02 0.00 -0.11 0.00 0.00 41.96 41.39 1i8a s TYR 51 CO 0.52 -0.54 -0.12 -1.17 -1.11 0.00 0.00 175.55 173.14 1i8a s LEU 52 N -3.06 2.83 -0.07 -1.29 2.96 -0.36 -1.63 118.68 118.06 1i8a s LEU 52 Ca 0.26 -0.23 0.03 0.00 -0.22 0.00 0.00 54.13 53.97 1i8a s LEU 52 Cb 0.07 -1.62 -0.02 0.00 0.50 0.00 0.00 46.19 45.12 1i8a s LEU 52 CO 0.03 0.24 -0.13 -0.31 -1.32 0.00 0.00 176.35 174.86 1i8a s TYR 53 N -0.11 2.74 -0.06 5.38 1.51 0.18 -0.99 117.35 126.00 1i8a s TYR 53 Ca -0.01 -0.23 0.02 0.00 -1.01 0.00 0.00 57.07 55.84 1i8a s TYR 53 Cb -0.14 -1.68 0.02 0.00 -0.11 0.00 0.00 41.96 40.05 1i8a s TYR 53 CO 0.03 0.12 -0.09 0.08 -1.11 0.00 0.00 175.55 174.59 1i8a s VAL 54 N -0.53 0.88 -0.25 0.71 1.01 -0.23 -1.07 120.40 120.93 1i8a s VAL 54 Ca 0.07 -0.33 -0.00 0.00 0.00 0.00 0.00 61.98 61.72 1i8a s VAL 54 Cb -0.12 -0.83 0.04 0.00 0.00 0.00 0.00 36.38 35.47 1i8a s VAL 54 CO 0.02 0.30 -0.09 -0.22 0.00 0.00 0.00 175.10 175.11 1i8a s LEU 55 N 0.75 3.18 -0.21 3.92 2.96 -0.18 -0.57 118.68 128.52 1i8a s LEU 55 Ca -0.13 -1.01 0.02 0.00 -0.22 0.00 0.00 54.13 52.78 1i8a s LEU 55 Cb -0.15 -1.62 0.04 0.00 0.50 0.00 0.00 46.19 44.96 1i8a s LEU 55 CO 0.02 -0.14 -0.16 0.00 -1.32 0.00 0.00 176.35 174.76 1i8a s ALA 56 N 1.26 2.38 -0.40 5.97 0.00 0.41 -1.08 121.76 130.30 1i8a s ALA 56 Ca -0.02 -1.41 -0.17 0.00 0.00 0.00 0.00 51.96 50.36 1i8a s ALA 56 Cb -0.17 -1.33 0.01 0.00 0.00 0.00 0.00 23.12 21.63 1i8a s ALA 56 CO -0.05 -0.69 0.44 0.42 0.00 0.00 0.00 175.76 175.87 1i8a s ILE 57 N 1.24 5.09 -0.20 0.00 1.01 0.32 -0.77 121.20 127.88 1i8a s ILE 57 Ca -0.01 -0.20 -0.11 0.00 0.00 0.00 0.00 60.65 60.33 1i8a s ILE 57 Cb -0.16 -4.00 -0.05 0.00 0.01 0.00 0.00 42.46 38.26 1i8a s ILE 57 CO -0.10 -0.35 0.18 -0.69 0.00 0.00 0.00 174.94 173.98 1i8a s VAL 58 N 2.16 5.37 -0.30 2.92 1.01 0.28 -0.96 120.40 130.88 1i8a s VAL 58 Ca 0.13 0.27 -0.20 0.00 0.00 0.00 0.00 61.98 62.19 1i8a s VAL 58 Cb -0.17 -3.52 -0.01 0.00 0.00 0.00 0.00 36.38 32.68 1i8a s VAL 58 CO 0.13 0.40 0.59 -0.75 0.00 0.00 0.00 175.10 175.47 1i8a s LYS 59 N 0.62 3.90 -0.29 2.72 2.20 0.25 -1.93 119.74 127.21 1i8a s LYS 59 Ca 0.10 0.25 -0.01 0.00 -0.36 0.00 0.00 55.97 55.95 1i8a s LYS 59 Cb -0.12 -3.72 0.19 0.00 -1.51 0.00 0.00 37.83 32.67 1i8a s LYS 59 CO 0.01 -0.54 0.76 0.34 -0.36 0.00 0.00 175.35 175.57 1i8a s ASP 60 N 1.63 -1.17 0.36 1.43 -1.08 0.20 -3.02 116.67 115.03 1i8a s ASP 60 Ca 0.24 0.17 0.27 0.00 -0.52 0.00 0.00 52.55 52.71 1i8a s ASP 60 Cb -0.15 1.75 1.06 0.00 -1.46 0.00 0.00 42.92 44.12 1i8a s ASP 60 CO 0.11 -0.21 1.80 1.55 0.52 0.00 0.00 175.17 178.94 1i8a h PRO 61 N 7.74 0.00 -4.25 4.34 0.13 -1.94 -3.28 132.00 134.74 1i8a h PRO 61 Ca -0.05 0.00 -0.58 0.00 -0.87 0.00 0.00 66.00 64.50 1i8a h PRO 61 Cb 1.18 0.00 -0.38 0.00 0.13 0.00 0.00 31.00 31.93 1i8a h PRO 61 CO 0.06 0.00 -0.79 0.08 -0.23 0.00 0.00 178.00 177.12 1i8a s VAL 62 N -3.40 1.30 -0.12 1.56 1.01 -1.26 -4.97 120.40 114.52 1i8a s VAL 62 Ca 0.04 -0.90 -0.11 0.00 0.00 0.00 0.00 61.98 61.01 1i8a s VAL 62 Cb 0.09 -1.52 -0.05 0.00 0.00 0.00 0.00 36.38 34.90 1i8a s VAL 62 CO 0.48 0.03 0.24 -0.76 0.00 0.00 0.00 175.10 175.08 1i8a s LEU 63 N 1.53 4.34 -0.15 3.92 1.43 -1.26 -4.83 118.68 123.65 1i8a s LEU 63 Ca -0.02 0.55 -0.22 0.00 -1.03 0.00 0.00 54.13 53.41 1i8a s LEU 63 Cb -0.17 -2.27 0.05 0.00 0.03 0.00 0.00 46.19 43.83 1i8a s LEU 63 CO -0.07 0.27 0.56 0.21 0.23 0.00 0.00 176.35 177.55 1i8a s ASN 64 N -0.39 -0.56 -0.01 2.29 2.47 -1.26 -4.93 114.94 112.55 1i8a s ASN 64 Ca 0.16 0.91 0.19 0.00 0.42 0.00 0.00 52.86 54.55 1i8a s ASN 64 Cb -0.13 0.92 0.33 0.00 -1.45 0.00 0.00 41.25 40.91 1i8a s ASN 64 CO 0.05 -0.33 1.13 2.29 -3.72 0.00 0.00 177.10 176.52 1i8a n LYS 65 N 2.14 0.08 0.14 0.43 2.85 -1.26 -1.32 118.16 121.22 1i8a n LYS 65 Ca -0.16 -1.80 -0.00 0.00 -1.05 0.00 0.00 58.31 55.30 1i8a n LYS 65 Cb 0.56 0.07 0.26 0.00 -0.65 0.00 0.00 35.03 35.27 1i8a n LYS 65 CO 0.00 0.00 0.00 -0.44 -0.05 0.00 0.00 177.40 176.91 1i8a h ASP 66 N 0.81 0.10 -3.64 -5.58 3.32 -1.89 -3.45 116.42 106.10 1i8a h ASP 66 Ca -0.31 -0.04 -0.53 0.00 0.02 0.00 0.00 57.03 56.17 1i8a h ASP 66 Cb 1.75 -0.03 0.07 0.00 0.22 0.00 0.00 39.33 41.34 1i8a h ASP 66 CO 0.00 0.54 0.72 0.21 -1.72 0.00 0.00 179.24 178.99 1i8a s ASN 67 N -6.89 6.66 0.52 6.45 3.84 -1.26 -4.91 114.94 119.34 1i8a s ASN 67 Ca -0.03 2.73 0.29 0.00 0.21 0.00 0.00 52.86 56.06 1i8a s ASN 67 Cb 0.14 -2.64 1.34 0.00 -0.55 0.00 0.00 41.25 39.54 1i8a s ASN 67 CO 0.75 -0.66 2.00 0.77 -2.79 0.00 0.00 177.10 177.17 1i8a h SER 68 N 4.16 0.00 -3.20 -4.21 4.64 -1.91 -3.42 113.55 109.61 1i8a h SER 68 Ca -0.48 0.00 -0.58 0.00 -0.47 0.00 0.00 61.79 60.26 1i8a h SER 68 Cb 1.22 0.00 -0.06 0.00 -0.31 0.00 0.00 62.40 63.25 1i8a h SER 68 CO 0.71 0.12 0.60 0.20 -0.87 0.00 0.00 176.83 177.59 1i8a s ASN 69 N -5.97 7.04 0.44 4.97 0.01 -1.26 -4.93 114.94 115.24 1i8a s ASN 69 Ca -0.01 1.29 0.11 0.00 -0.71 0.00 0.00 52.86 53.54 1i8a s ASN 69 Cb 0.11 -2.50 1.01 0.00 0.41 0.00 0.00 41.25 40.28 1i8a s ASN 69 CO 0.58 -0.54 2.05 1.55 -1.51 0.00 0.00 177.10 179.23 1i8a h PRO 70 N 7.41 0.37 0.00 -0.60 0.13 -1.96 -0.32 132.00 137.03 1i8a h PRO 70 Ca -0.24 -0.02 0.00 0.00 -0.87 0.00 0.00 66.00 64.87 1i8a h PRO 70 Cb 1.10 -0.08 0.00 0.00 0.13 0.00 0.00 31.00 32.14 1i8a h PRO 70 CO 0.90 0.25 0.00 -2.67 -0.23 0.00 0.00 178.00 176.25 1i8a n TRP 71 N -4.48 0.00 -0.80 1.56 2.14 -1.26 -2.39 117.44 112.20 1i8a n TRP 71 Ca 0.04 0.00 0.08 0.00 2.07 0.00 0.00 57.50 59.69 1i8a n TRP 71 Cb 0.17 -0.35 0.30 0.00 -0.81 0.00 0.00 31.31 30.63 1i8a n TRP 71 CO 0.00 0.00 0.00 0.39 2.07 0.00 0.00 177.69 180.15 1i8a n GLU 72 N -1.35 3.55 -4.27 -2.67 1.02 -0.13 -4.84 120.64 111.95 1i8a n GLU 72 Ca 0.09 -2.83 -0.29 0.00 -0.02 0.00 0.00 57.16 54.10 1i8a n GLU 72 Cb 0.19 -1.88 -0.11 0.00 -0.02 0.00 0.00 31.44 29.62 1i8a n GLU 72 CO 0.00 0.00 0.00 -0.65 1.18 0.00 0.00 177.13 177.66 1i8a s GLN 73 N -2.40 1.91 -0.17 3.49 -0.21 -1.01 -4.37 119.66 116.90 1i8a s GLN 73 Ca 0.44 -1.12 -0.32 0.00 0.02 0.00 0.00 55.36 54.38 1i8a s GLN 73 Cb 0.33 -2.18 -0.09 0.00 1.00 0.00 0.00 33.01 32.06 1i8a s GLN 73 CO 0.14 0.49 2.07 -0.25 -2.12 0.00 0.00 175.29 175.62 1i8a n ASP 74 N 0.75 3.17 -3.61 5.90 8.00 -0.43 -4.73 116.55 125.60 1i8a n ASP 74 Ca -0.15 0.61 -0.07 0.00 0.71 0.00 0.00 54.79 55.89 1i8a n ASP 74 Cb 0.53 -1.42 -0.01 0.00 -0.02 0.00 0.00 41.12 40.20 1i8a n ASP 74 CO 0.00 0.00 0.00 -0.94 -0.39 0.00 0.00 177.20 175.87 1i8a s SER 75 N 6.14 -0.17 -0.05 -2.24 1.04 -1.09 -2.50 113.70 114.83 1i8a s SER 75 Ca 0.99 -0.70 0.06 0.00 0.48 0.00 0.00 55.95 56.78 1i8a s SER 75 Cb -0.60 0.70 -0.01 0.00 0.10 0.00 0.00 66.02 66.22 1i8a s SER 75 CO 0.45 -1.33 -0.24 -0.69 0.98 0.00 0.00 173.24 172.41 1i8a s VAL 76 N -3.37 1.92 -0.04 5.02 1.01 -0.35 -1.03 120.40 123.56 1i8a s VAL 76 Ca 0.13 -1.01 0.06 0.00 0.00 0.00 0.00 61.98 61.16 1i8a s VAL 76 Cb -0.05 -1.62 -0.02 0.00 0.00 0.00 0.00 36.38 34.69 1i8a s VAL 76 CO 0.07 0.54 -0.21 -1.61 0.00 0.00 0.00 175.10 173.89 1i8a s GLU 77 N -0.24 2.33 -0.10 2.72 2.02 0.49 -1.73 118.70 124.19 1i8a s GLU 77 Ca -0.00 -0.83 0.04 0.00 0.02 0.00 0.00 54.97 54.19 1i8a s GLU 77 Cb -0.12 -2.19 0.00 0.00 0.10 0.00 0.00 34.13 31.91 1i8a s GLU 77 CO 0.02 0.56 -0.23 0.42 0.02 0.00 0.00 175.26 176.05 1i8a s ILE 78 N -0.59 2.02 -0.07 -1.63 1.01 0.44 -0.65 121.20 121.72 1i8a s ILE 78 Ca 0.09 -1.00 0.03 0.00 0.00 0.00 0.00 60.65 59.77 1i8a s ILE 78 Cb -0.11 -1.74 -0.02 0.00 0.01 0.00 0.00 42.46 40.60 1i8a s ILE 78 CO 0.00 0.55 -0.15 -0.36 0.00 0.00 0.00 174.94 174.99 1i8a s PHE 79 N 0.33 2.72 -0.02 3.97 0.40 0.44 -0.97 117.98 124.85 1i8a s PHE 79 Ca -0.18 -0.32 0.03 0.00 -0.60 0.00 0.00 56.93 55.85 1i8a s PHE 79 Cb -0.18 -1.69 -0.00 0.00 0.51 0.00 0.00 43.02 41.67 1i8a s PHE 79 CO 0.08 0.05 -0.09 0.42 0.70 0.00 0.00 175.22 176.39 1i8a s ILE 80 N -0.40 0.76 -0.40 0.64 -1.09 -0.55 -2.34 121.20 117.80 1i8a s ILE 80 Ca 0.04 -0.38 0.01 0.00 -2.23 0.00 0.00 60.65 58.10 1i8a s ILE 80 Cb -0.12 -0.66 0.13 0.00 -1.58 0.00 0.00 42.46 40.23 1i8a s ILE 80 CO 0.02 0.23 0.20 -0.62 -1.23 0.00 0.00 174.94 173.54 1i8a s ASP 81 N 0.01 3.70 0.22 3.58 -1.08 -0.45 -1.34 116.67 121.30 1i8a s ASP 81 Ca -0.00 -2.38 -0.09 0.00 -0.52 0.00 0.00 52.55 49.57 1i8a s ASP 81 Cb -0.06 -0.96 0.18 0.00 -1.46 0.00 0.00 42.92 40.61 1i8a s ASP 81 CO 0.00 -0.30 1.85 -0.33 0.52 0.00 0.00 175.17 176.91 1i8a h GLU 82 N 7.05 1.13 -0.01 4.34 5.08 -1.83 0.18 114.58 130.51 1i8a h GLU 82 Ca -0.03 -0.11 0.00 0.00 -1.00 0.00 0.00 59.36 58.22 1i8a h GLU 82 Cb 0.95 -0.23 0.00 0.00 0.50 0.00 0.00 28.75 29.97 1i8a h GLU 82 CO 0.46 0.81 -0.15 0.27 -1.00 0.00 0.00 179.01 179.40 1i8a n ASN 83 N -4.43 1.27 -4.01 1.42 0.23 -1.26 -4.69 115.26 103.79 1i8a n ASN 83 Ca 0.08 -1.16 -0.30 0.00 -0.53 0.00 0.00 54.58 52.67 1i8a n ASN 83 Cb 0.07 0.08 -0.01 0.00 -2.08 0.00 0.00 39.78 37.85 1i8a n ASN 83 CO 0.00 0.00 0.00 -3.20 -0.93 0.00 0.00 177.26 173.13 1i8a n ASN 84 N -0.27 -2.41 0.23 0.53 5.15 -1.00 -4.86 115.26 112.63 1i8a n ASN 84 Ca 0.15 -0.94 0.15 0.00 -0.60 0.00 0.00 54.58 53.34 1i8a n ASN 84 Cb 0.36 -3.26 0.49 0.00 -0.53 0.00 0.00 39.78 36.84 1i8a n ASN 84 CO 0.00 0.00 0.00 0.45 1.40 0.00 0.00 177.26 179.11 1i8a h HIS 85 N -1.79 0.00 -6.09 1.20 3.86 -1.93 -3.47 115.15 106.93 1i8a h HIS 85 Ca -0.60 0.00 -0.43 0.00 -1.16 0.00 0.00 60.37 58.18 1i8a h HIS 85 Cb 1.38 0.00 0.04 0.00 1.06 0.00 0.00 27.41 29.89 1i8a h HIS 85 CO 0.55 0.00 -0.77 1.63 0.86 0.00 0.00 177.93 180.20 1i8a n LYS 86 N -2.90 -5.80 -1.39 2.45 4.76 -1.26 -4.97 118.16 109.04 1i8a n LYS 86 Ca 0.02 0.67 -0.29 0.00 -2.87 0.00 0.00 58.31 55.84 1i8a n LYS 86 Cb 0.37 -5.48 0.13 0.00 -1.84 0.00 0.00 35.03 28.22 1i8a n LYS 86 CO 0.00 0.00 0.00 0.95 -1.37 0.00 0.00 177.40 176.98 1i8a s THR 87 N -3.44 2.40 -2.22 -0.18 -4.23 -1.26 -4.14 115.64 102.56 1i8a s THR 87 Ca 0.35 0.13 0.19 0.00 -1.18 0.00 0.00 61.69 61.18 1i8a s THR 87 Cb -0.17 -2.77 0.42 0.00 1.34 0.00 0.00 72.50 71.32 1i8a s THR 87 CO 0.80 -0.17 1.46 0.61 -0.54 0.00 0.00 174.62 176.78 1i8a n GLY 88 N -1.73 0.58 3.48 3.99 0.00 -1.26 -1.25 105.19 109.01 1i8a n GLY 88 Ca 0.06 -0.45 -0.09 0.00 0.00 0.00 0.00 46.02 45.54 1i8a n GLY 88 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1i8a s TYR 89 N -1.67 0.25 -0.00 1.61 -0.85 -1.25 -4.40 117.35 111.04 1i8a s TYR 89 Ca 0.31 -0.61 -0.30 0.00 -0.52 0.00 0.00 57.07 55.95 1i8a s TYR 89 Cb 0.17 0.16 -0.03 0.00 0.38 0.00 0.00 41.96 42.63 1i8a s TYR 89 CO 0.24 -0.88 1.05 0.71 -1.52 0.00 0.00 175.55 175.15 1i8a s TYR 90 N -3.96 3.57 0.64 -3.49 1.51 -1.25 -4.54 117.35 109.82 1i8a s TYR 90 Ca 0.17 1.57 0.05 0.00 -1.01 0.00 0.00 57.07 57.85 1i8a s TYR 90 Cb 0.01 -3.21 0.11 0.00 -0.11 0.00 0.00 41.96 38.75 1i8a s TYR 90 CO 0.03 -0.40 0.88 -1.21 -1.11 0.00 0.00 175.55 173.74 1i8a s GLU 91 N 1.21 2.01 0.46 -0.62 2.02 -1.26 -4.96 118.70 117.55 1i8a s GLU 91 Ca 0.53 -1.44 0.13 0.00 0.02 0.00 0.00 54.97 54.21 1i8a s GLU 91 Cb -0.23 -2.51 1.06 0.00 0.10 0.00 0.00 34.13 32.55 1i8a s GLU 91 CO 0.27 -1.13 2.06 -0.44 0.02 0.00 0.00 175.26 176.04 1i8a h ASP 92 N -0.14 0.27 1.14 -0.19 3.32 -2.03 -2.38 116.42 116.42 1i8a h ASP 92 Ca -0.32 -0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.72 1i8a h ASP 92 Cb 1.28 -0.06 0.00 0.00 0.22 0.00 0.00 39.33 40.77 1i8a h ASP 92 CO 0.40 0.19 -0.08 -0.90 -1.72 0.00 0.00 179.24 177.13 1i8a n ASP 93 N -4.49 0.40 -4.82 6.45 5.68 -1.26 -4.88 116.55 113.64 1i8a n ASP 93 Ca 0.03 0.45 -0.36 0.00 -0.50 0.00 0.00 54.79 54.42 1i8a n ASP 93 Cb 0.18 -0.52 -0.06 0.00 -1.14 0.00 0.00 41.12 39.58 1i8a n ASP 93 CO 0.00 0.00 0.00 -1.81 -1.33 0.00 0.00 177.20 174.06 1i8a s ASP 94 N -3.69 7.05 0.00 -1.12 1.01 -0.90 -3.94 116.67 115.08 1i8a s ASP 94 Ca 0.12 1.41 -0.19 0.00 0.71 0.00 0.00 52.55 54.60 1i8a s ASP 94 Cb 0.16 -2.42 0.04 0.00 1.01 0.00 0.00 42.92 41.71 1i8a s ASP 94 CO 0.58 0.02 0.42 0.00 0.21 0.00 0.00 175.17 176.41 1i8a s ALA 95 N -1.54 -1.06 -0.14 5.23 0.00 -0.45 -4.04 121.76 119.76 1i8a s ALA 95 Ca 0.43 0.51 0.02 0.00 0.00 0.00 0.00 51.96 52.93 1i8a s ALA 95 Cb -0.16 0.17 0.01 0.00 0.00 0.00 0.00 23.12 23.14 1i8a s ALA 95 CO 0.21 -0.36 -0.20 -1.14 0.00 0.00 0.00 175.76 174.27 1i8a s GLN 96 N -1.76 2.82 0.11 0.00 0.74 -0.48 -1.49 119.66 119.60 1i8a s GLN 96 Ca -0.10 -0.78 0.10 0.00 0.05 0.00 0.00 55.36 54.63 1i8a s GLN 96 Cb -0.02 -2.32 -0.04 0.00 1.10 0.00 0.00 33.01 31.73 1i8a s GLN 96 CO 0.03 -0.05 -0.25 -0.06 -0.55 0.00 0.00 175.29 174.41 1i8a s PHE 97 N 0.91 2.36 -0.02 1.67 0.40 -0.15 -1.81 117.98 121.34 1i8a s PHE 97 Ca -0.06 -0.36 -0.04 0.00 -0.60 0.00 0.00 56.93 55.87 1i8a s PHE 97 Cb -0.15 -1.30 0.00 0.00 0.51 0.00 0.00 43.02 42.08 1i8a s PHE 97 CO -0.03 0.30 0.09 0.50 0.70 0.00 0.00 175.22 176.78 1i8a s ARG 98 N -1.89 0.21 -0.12 0.44 3.52 -0.84 -0.42 118.95 119.86 1i8a s ARG 98 Ca 0.14 -0.07 -0.08 0.00 -0.13 0.00 0.00 55.73 55.59 1i8a s ARG 98 Cb -0.10 0.09 0.04 0.00 -1.56 0.00 0.00 34.95 33.42 1i8a s ARG 98 CO 0.06 -0.04 0.29 0.54 -0.81 0.00 0.00 175.30 175.34 1i8a s VAL 99 N -0.44 -0.02 0.65 7.11 0.11 -0.71 -1.18 120.40 125.92 1i8a s VAL 99 Ca -0.05 0.09 0.04 0.00 -2.93 0.00 0.00 61.98 59.13 1i8a s VAL 99 Cb -0.03 -0.44 0.11 0.00 -1.53 0.00 0.00 36.38 34.49 1i8a s VAL 99 CO 0.00 0.03 0.89 0.54 -3.33 0.00 0.00 175.10 173.24 1i8a s ASN 100 N 0.90 4.72 0.00 3.54 2.20 -0.69 -1.22 114.94 124.40 1i8a s ASN 100 Ca -0.06 -0.59 0.04 0.00 -0.94 0.00 0.00 52.86 51.31 1i8a s ASN 100 Cb -0.07 0.11 0.22 0.00 -2.00 0.00 0.00 41.25 39.51 1i8a s ASN 100 CO -0.06 -1.60 0.94 0.00 -2.94 0.00 0.00 177.10 173.44 1i8a n TYR 101 N -2.54 0.00 -0.28 1.54 0.18 -1.04 -0.46 117.16 114.56 1i8a n TYR 101 Ca 0.15 0.00 0.09 0.00 1.88 0.00 0.00 57.90 60.02 1i8a n TYR 101 Cb 0.61 -0.26 0.24 0.00 -0.38 0.00 0.00 39.34 39.55 1i8a n TYR 101 CO 0.00 0.00 0.00 -1.33 -2.08 0.00 0.00 176.86 173.45 1i8a n MET 102 N -1.26 2.80 -2.48 -3.48 2.81 -1.26 -4.90 117.12 109.36 1i8a n MET 102 Ca 0.02 -2.37 -0.18 0.00 -1.81 0.00 0.00 57.70 53.36 1i8a n MET 102 Cb 0.03 -1.42 0.00 0.00 -0.71 0.00 0.00 33.22 31.12 1i8a n MET 102 CO 0.00 0.00 0.00 -1.71 1.51 0.00 0.00 175.97 175.77 1i8a n ASN 103 N 1.10 -5.35 -4.69 7.83 5.15 0.39 -4.99 115.26 114.71 1i8a n ASN 103 Ca 0.18 -0.07 -0.37 0.00 -0.60 0.00 0.00 54.58 53.72 1i8a n ASN 103 Cb 0.53 -4.36 -0.07 0.00 -0.53 0.00 0.00 39.78 35.34 1i8a n ASN 103 CO 0.00 0.00 0.00 -1.61 1.40 0.00 0.00 177.26 177.05 1i8a s GLU 104 N -5.05 4.20 -0.02 1.20 2.02 -1.25 -4.86 118.70 114.94 1i8a s GLU 104 Ca 0.06 0.15 -0.09 0.00 0.02 0.00 0.00 54.97 55.11 1i8a s GLU 104 Cb -0.03 -3.50 -0.05 0.00 0.10 0.00 0.00 34.13 30.65 1i8a s GLU 104 CO 0.08 0.06 0.28 -0.65 0.02 0.00 0.00 175.26 175.05 1i8a s GLN 105 N 1.01 3.64 0.14 1.61 -0.21 -1.26 -1.71 119.66 122.88 1i8a s GLN 105 Ca 0.18 0.05 0.01 0.00 0.02 0.00 0.00 55.36 55.62 1i8a s GLN 105 Cb -0.14 -3.13 -0.04 0.00 1.00 0.00 0.00 33.01 30.70 1i8a s GLN 105 CO 0.07 0.68 -0.01 0.95 -2.12 0.00 0.00 175.29 174.85 1i8a s THR 106 N -1.19 0.58 -0.00 -0.19 -4.23 -0.32 -4.99 115.64 105.29 1i8a s THR 106 Ca 0.24 -1.95 0.01 0.00 -1.18 0.00 0.00 61.69 58.82 1i8a s THR 106 Cb -0.14 -1.95 -0.00 0.00 1.34 0.00 0.00 72.50 71.76 1i8a s THR 106 CO 0.13 -0.62 -0.04 -0.36 -0.54 0.00 0.00 174.62 173.18 1i8a s PHE 107 N -3.71 0.37 0.00 3.99 0.40 -1.26 -1.98 117.98 115.79 1i8a s PHE 107 Ca 0.19 -0.07 0.00 0.00 -0.60 0.00 0.00 56.93 56.45 1i8a s PHE 107 Cb 0.06 -0.25 0.00 0.00 0.51 0.00 0.00 43.02 43.34 1i8a s PHE 107 CO 0.00 -0.01 0.00 0.41 0.70 0.00 0.00 175.22 176.32 1i8a n GLY 108 N 3.03 1.55 3.72 4.36 0.00 -0.75 -4.92 105.19 112.17 1i8a n GLY 108 Ca -0.13 -2.00 -0.43 0.00 0.00 0.00 0.00 46.02 43.46 1i8a n GLY 108 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1i8a n THR 109 N -0.15 1.26 0.00 2.61 -1.04 -1.26 -2.38 114.28 113.32 1i8a n THR 109 Ca 0.00 -0.31 0.00 0.00 -2.04 0.00 0.00 64.05 61.70 1i8a n THR 109 Cb 0.00 -1.74 0.00 0.00 -1.82 0.00 0.00 70.33 66.77 1i8a n THR 109 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1i8a n GLY 110 N 1.76 2.63 3.78 3.41 0.00 -1.26 -1.38 105.19 114.13 1i8a n GLY 110 Ca 0.08 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.74 1i8a n GLY 110 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1i8a s GLY 111 N -1.08 2.73 -0.09 -0.02 0.00 -1.00 -4.71 107.32 103.14 1i8a s GLY 111 Ca 0.00 0.65 -0.09 0.00 0.00 0.00 0.00 44.72 45.28 1i8a s GLY 111 CO 0.00 1.08 0.27 -0.45 0.00 0.00 0.00 173.10 174.00 1i8a s SER 112 N -1.60 -0.27 0.56 1.64 0.15 -1.26 -4.76 113.70 108.16 1i8a s SER 112 Ca 0.56 0.50 0.33 0.00 0.70 0.00 0.00 55.95 58.05 1i8a s SER 112 Cb -0.21 0.53 1.59 0.00 -1.71 0.00 0.00 66.02 66.22 1i8a s SER 112 CO 0.26 -0.12 2.08 1.55 1.20 0.00 0.00 173.24 178.22 1i8a h PRO 113 N 5.60 0.00 0.00 5.44 0.13 -1.97 -1.31 132.00 139.89 1i8a h PRO 113 Ca -0.26 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.87 1i8a h PRO 113 Cb 1.19 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.32 1i8a h PRO 113 CO 0.34 0.06 0.00 0.00 -0.23 0.00 0.00 178.00 178.17 1i8a n ALA 114 N -2.16 1.69 -1.34 -0.56 0.00 -1.26 -2.62 120.51 114.26 1i8a n ALA 114 Ca -0.01 0.05 0.08 0.00 0.00 0.00 0.00 53.44 53.55 1i8a n ALA 114 Cb 0.25 -1.35 0.12 0.00 0.00 0.00 0.00 19.45 18.46 1i8a n ALA 114 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1i8a n ARG 115 N -2.05 1.07 -3.72 0.00 1.74 -0.51 -4.91 116.66 108.27 1i8a n ARG 115 Ca 0.03 -2.40 -0.25 0.00 -0.77 0.00 0.00 57.85 54.46 1i8a n ARG 115 Cb 0.22 -1.30 -0.17 0.00 -1.02 0.00 0.00 32.46 30.19 1i8a n ARG 115 CO 0.00 0.00 0.00 0.12 -1.52 0.00 0.00 177.63 176.23 1i8a s PHE 116 N -2.36 0.64 -0.12 -1.55 5.36 -1.08 -1.24 117.98 117.64 1i8a s PHE 116 Ca 0.28 -0.38 0.03 0.00 -0.96 0.00 0.00 56.93 55.90 1i8a s PHE 116 Cb 0.25 -0.82 0.00 0.00 -0.34 0.00 0.00 43.02 42.11 1i8a s PHE 116 CO 0.01 -0.44 -0.23 0.21 -1.46 0.00 0.00 175.22 173.31 1i8a s LYS 117 N 1.99 3.04 0.05 10.12 2.20 -0.56 -4.88 119.74 131.71 1i8a s LYS 117 Ca 0.02 -0.86 -0.01 0.00 -0.36 0.00 0.00 55.97 54.76 1i8a s LYS 117 Cb -0.15 -2.37 -0.04 0.00 -1.51 0.00 0.00 37.83 33.76 1i8a s LYS 117 CO -0.07 0.09 -0.03 0.95 -0.36 0.00 0.00 175.35 175.93 1i8a s THR 118 N 0.57 0.27 -0.05 3.43 -4.23 -1.26 -0.92 115.64 113.44 1i8a s THR 118 Ca -0.13 -1.77 -0.09 0.00 -1.18 0.00 0.00 61.69 58.52 1i8a s THR 118 Cb -0.17 -1.47 0.02 0.00 1.34 0.00 0.00 72.50 72.22 1i8a s THR 118 CO 0.04 -0.96 0.21 0.00 -0.54 0.00 0.00 174.62 173.37 1i8a s ALA 119 N -3.75 -0.52 -0.03 3.99 0.00 -0.80 -4.97 121.76 115.68 1i8a s ALA 119 Ca 0.06 0.39 0.02 0.00 0.00 0.00 0.00 51.96 52.44 1i8a s ALA 119 Cb 0.07 -0.19 0.01 0.00 0.00 0.00 0.00 23.12 23.01 1i8a s ALA 119 CO -0.09 -0.15 -0.08 0.08 0.00 0.00 0.00 175.76 175.52 1i8a s VAL 120 N -0.46 0.74 -0.10 0.00 1.01 -1.26 -1.84 120.40 118.48 1i8a s VAL 120 Ca -0.06 -0.32 0.01 0.00 0.00 0.00 0.00 61.98 61.62 1i8a s VAL 120 Cb -0.04 -0.67 0.02 0.00 0.00 0.00 0.00 36.38 35.69 1i8a s VAL 120 CO 0.01 0.24 -0.13 -0.75 0.00 0.00 0.00 175.10 174.47 1i8a s LYS 121 N 0.34 2.01 0.29 2.72 2.20 -0.66 -4.92 119.74 121.72 1i8a s LYS 121 Ca -0.05 -0.48 -0.28 0.00 -0.36 0.00 0.00 55.97 54.79 1i8a s LYS 121 Cb -0.10 -1.76 -0.09 0.00 -1.51 0.00 0.00 37.83 34.37 1i8a s LYS 121 CO 0.01 -0.09 1.02 -0.51 -0.36 0.00 0.00 175.35 175.42 1i8a s LEU 122 N 1.06 4.48 0.27 5.43 1.43 -1.26 -0.35 118.68 129.73 1i8a s LEU 122 Ca -0.06 2.06 0.02 0.00 -1.03 0.00 0.00 54.13 55.13 1i8a s LEU 122 Cb -0.15 -3.78 -0.05 0.00 0.03 0.00 0.00 46.19 42.24 1i8a s LEU 122 CO -0.02 -0.10 0.08 0.27 0.23 0.00 0.00 176.35 176.81 1i8a s ILE 123 N -1.32 0.72 0.09 -0.59 -4.36 -0.59 -4.90 121.20 110.25 1i8a s ILE 123 Ca 0.47 -2.00 -0.31 0.00 -0.26 0.00 0.00 60.65 58.55 1i8a s ILE 123 Cb -0.26 -2.63 -0.10 0.00 1.25 0.00 0.00 42.46 40.72 1i8a s ILE 123 CO 0.33 -0.04 1.82 -0.70 0.24 0.00 0.00 174.94 176.59 1i8a s GLU 124 N -3.99 4.15 0.00 0.37 2.12 -1.26 -2.00 118.70 118.09 1i8a s GLU 124 Ca 0.36 2.55 0.00 0.00 0.36 0.00 0.00 54.97 58.24 1i8a s GLU 124 Cb 0.08 -3.72 0.00 0.00 0.26 0.00 0.00 34.13 30.75 1i8a s GLU 124 CO 0.13 -0.85 0.00 0.41 -0.54 0.00 0.00 175.26 174.41 1i8a n GLY 125 N 4.26 0.74 0.00 -1.50 0.00 -1.26 -4.90 105.19 102.52 1i8a n GLY 125 Ca 0.18 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.20 1i8a n GLY 125 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1i8a n GLY 126 N -2.48 -0.71 3.34 -0.02 0.00 -0.85 -0.63 105.19 103.86 1i8a n GLY 126 Ca 0.00 -0.39 -0.12 0.00 0.00 0.00 0.00 46.02 45.51 1i8a n GLY 126 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1i8a s TYR 127 N -4.00 -0.30 -0.16 1.61 -0.85 -0.81 -1.54 117.35 111.29 1i8a s TYR 127 Ca 0.00 0.12 -0.02 0.00 -0.52 0.00 0.00 57.07 56.65 1i8a s TYR 127 Cb 0.00 0.30 -0.01 0.00 0.38 0.00 0.00 41.96 42.63 1i8a s TYR 127 CO 0.00 -0.68 -0.09 0.42 -1.52 0.00 0.00 175.55 173.68 1i8a s ILE 128 N -3.27 3.26 -0.16 -3.49 1.01 0.52 -0.55 121.20 118.52 1i8a s ILE 128 Ca -0.01 -0.57 -0.05 0.00 0.00 0.00 0.00 60.65 60.03 1i8a s ILE 128 Cb 0.01 -2.42 -0.03 0.00 0.01 0.00 0.00 42.46 40.03 1i8a s ILE 128 CO -0.08 0.49 -0.01 -0.69 0.00 0.00 0.00 174.94 174.65 1i8a s VAL 129 N 0.72 4.11 -0.14 2.92 1.01 0.05 -1.65 120.40 127.43 1i8a s VAL 129 Ca -0.04 -0.28 -0.00 0.00 0.00 0.00 0.00 61.98 61.66 1i8a s VAL 129 Cb -0.15 -2.82 0.02 0.00 0.00 0.00 0.00 36.38 33.44 1i8a s VAL 129 CO 0.02 0.48 -0.11 -0.70 0.00 0.00 0.00 175.10 174.79 1i8a s GLU 130 N 0.39 1.93 0.14 2.72 2.12 -0.77 -0.44 118.70 124.78 1i8a s GLU 130 Ca -0.02 -0.44 0.05 0.00 0.36 0.00 0.00 54.97 54.92 1i8a s GLU 130 Cb -0.14 -1.89 -0.04 0.00 0.26 0.00 0.00 34.13 32.32 1i8a s GLU 130 CO 0.02 -0.26 -0.12 0.00 -0.54 0.00 0.00 175.26 174.36 1i8a s ALA 131 N 1.58 1.49 -0.08 6.30 0.00 0.26 -1.91 121.76 129.41 1i8a s ALA 131 Ca 0.05 -1.39 0.00 0.00 0.00 0.00 0.00 51.96 50.62 1i8a s ALA 131 Cb -0.13 -0.02 0.02 0.00 0.00 0.00 0.00 23.12 22.99 1i8a s ALA 131 CO -0.09 0.01 -0.07 0.00 0.00 0.00 0.00 175.76 175.61 1i8a s ALA 132 N -2.69 1.03 -0.21 0.00 0.00 -0.10 -1.07 121.76 118.72 1i8a s ALA 132 Ca 0.13 -0.31 -0.00 0.00 0.00 0.00 0.00 51.96 51.77 1i8a s ALA 132 Cb -0.02 -0.67 0.02 0.00 0.00 0.00 0.00 23.12 22.46 1i8a s ALA 132 CO 0.02 -0.19 -0.13 0.42 0.00 0.00 0.00 175.76 175.89 1i8a s ILE 133 N 1.29 2.53 0.13 0.00 1.01 -0.16 -1.49 121.20 124.51 1i8a s ILE 133 Ca -0.04 -0.93 -0.30 0.00 0.00 0.00 0.00 60.65 59.37 1i8a s ILE 133 Cb -0.14 -2.18 -0.07 0.00 0.01 0.00 0.00 42.46 40.08 1i8a s ILE 133 CO -0.03 0.38 1.26 -0.75 0.00 0.00 0.00 174.94 175.81 1i8a s LYS 134 N 1.32 4.41 0.45 2.79 2.20 -0.37 -1.23 119.74 129.32 1i8a s LYS 134 Ca 0.03 1.92 -0.25 0.00 -0.36 0.00 0.00 55.97 57.31 1i8a s LYS 134 Cb -0.15 -3.26 -0.08 0.00 -1.51 0.00 0.00 37.83 32.83 1i8a s LYS 134 CO -0.08 -0.25 1.37 -1.58 -0.36 0.00 0.00 175.35 174.44 1i8a s TRP 135 N 0.58 2.56 -0.23 4.03 0.52 -0.63 -4.92 118.94 120.85 1i8a s TRP 135 Ca 0.58 1.34 -0.05 0.00 0.02 0.00 0.00 56.10 57.98 1i8a s TRP 135 Cb -0.33 -3.80 -0.12 0.00 -1.15 0.00 0.00 33.47 28.06 1i8a s TRP 135 CO 0.33 -2.60 -0.26 1.17 0.02 0.00 0.00 176.95 175.61 1i8a n LYS 136 N -0.24 0.53 0.00 4.98 4.81 -1.26 -4.80 118.16 122.19 1i8a n LYS 136 Ca 0.06 0.18 0.00 0.00 -0.87 0.00 0.00 58.31 57.68 1i8a n LYS 136 Cb 0.43 -1.40 0.00 0.00 0.02 0.00 0.00 35.03 34.08 1i8a n LYS 136 CO 0.00 0.00 0.00 0.25 1.17 0.00 0.00 177.40 178.82 1i8a n THR 137 N -3.63 0.00 -4.28 3.15 -2.24 -1.26 -5.07 114.28 100.96 1i8a n THR 137 Ca -0.44 -0.49 -0.15 0.00 -2.27 0.00 0.00 64.05 60.70 1i8a n THR 137 Cb 0.88 1.01 -0.10 0.00 -2.10 0.00 0.00 70.33 70.02 1i8a n THR 137 CO 0.00 0.00 0.00 0.27 -0.57 0.00 0.00 175.07 174.77 1i8a s ILE 138 N -0.35 1.16 -0.48 2.28 -4.36 -1.26 -5.08 121.20 113.10 1i8a s ILE 138 Ca 0.01 -2.06 0.03 0.00 -0.26 0.00 0.00 60.65 58.37 1i8a s ILE 138 Cb 0.01 -2.00 0.14 0.00 1.25 0.00 0.00 42.46 41.85 1i8a s ILE 138 CO 0.02 -0.62 0.26 -0.54 0.24 0.00 0.00 174.94 174.30 1i8a s LYS 139 N -3.78 1.61 0.54 0.37 3.01 -1.26 -4.82 119.74 115.42 1i8a s LYS 139 Ca 0.20 -2.32 -0.20 0.00 -1.01 0.00 0.00 55.97 52.64 1i8a s LYS 139 Cb 0.03 -2.76 -0.07 0.00 -1.01 0.00 0.00 37.83 34.03 1i8a s LYS 139 CO 0.03 -1.15 1.01 -0.35 0.51 0.00 0.00 175.35 175.40 1i8a n PRO 140 N 3.27 1.12 -4.31 -1.68 -0.04 -1.26 -5.06 135.00 127.05 1i8a n PRO 140 Ca 0.08 0.42 -0.16 0.00 -0.04 0.00 0.00 63.50 63.80 1i8a n PRO 140 Cb 0.34 -2.17 -0.10 0.00 -0.04 0.00 0.00 33.50 31.52 1i8a n PRO 140 CO 0.00 0.00 0.00 0.95 -0.04 0.00 0.00 175.50 176.41 1i8a s THR 141 N -1.43 1.05 0.40 0.52 -4.23 -1.26 -4.75 115.64 105.94 1i8a s THR 141 Ca 0.71 -2.04 -0.26 0.00 -1.18 0.00 0.00 61.69 58.92 1i8a s THR 141 Cb -0.45 -2.24 -0.11 0.00 1.34 0.00 0.00 72.50 71.04 1i8a s THR 141 CO 0.50 -0.41 1.26 -2.65 -0.54 0.00 0.00 174.62 172.78 1i8a n PRO 142 N -0.37 1.96 -1.03 3.99 -0.02 -1.26 -2.07 135.00 136.20 1i8a n PRO 142 Ca -0.06 0.69 -0.01 0.00 -2.02 0.00 0.00 63.50 62.10 1i8a n PRO 142 Cb 0.63 -2.34 -0.00 0.00 -0.02 0.00 0.00 33.50 31.76 1i8a n PRO 142 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 1i8a n ASN 143 N 0.40 -4.10 -4.77 2.55 3.02 0.26 -5.00 115.26 107.62 1i8a n ASN 143 Ca 0.06 0.02 -0.38 0.00 -0.03 0.00 0.00 54.58 54.25 1i8a n ASN 143 Cb 0.38 -1.68 -0.03 0.00 -0.61 0.00 0.00 39.78 37.84 1i8a n ASN 143 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 1i8a s THR 144 N -1.70 3.46 -0.14 3.41 2.01 -0.88 -4.76 115.64 117.04 1i8a s THR 144 Ca 0.00 1.25 0.02 0.00 0.31 0.00 0.00 61.69 63.27 1i8a s THR 144 Cb 0.00 -3.71 0.01 0.00 0.01 0.00 0.00 72.50 68.81 1i8a s THR 144 CO 0.00 0.14 -0.22 -0.69 -0.69 0.00 0.00 174.62 173.16 1i8a s VAL 145 N -1.43 2.05 0.31 3.82 1.01 -1.26 -0.41 120.40 124.49 1i8a s VAL 145 Ca 0.54 -0.97 0.10 0.00 0.00 0.00 0.00 61.98 61.64 1i8a s VAL 145 Cb -0.28 -1.82 -0.05 0.00 0.00 0.00 0.00 36.38 34.23 1i8a s VAL 145 CO 0.35 0.55 -0.02 0.27 0.00 0.00 0.00 175.10 176.24 1i8a s ILE 146 N 0.87 2.88 0.17 2.22 -4.36 -0.54 -4.52 121.20 117.92 1i8a s ILE 146 Ca -0.06 -2.02 -0.24 0.00 -0.26 0.00 0.00 60.65 58.08 1i8a s ILE 146 Cb -0.15 -2.73 -0.08 0.00 1.25 0.00 0.00 42.46 40.75 1i8a s ILE 146 CO -0.03 -0.29 0.76 -0.83 0.24 0.00 0.00 174.94 174.79 1i8a s GLY 147 N -3.67 2.85 -0.08 6.27 0.00 0.59 -0.70 107.32 112.57 1i8a s GLY 147 Ca 0.33 0.31 -0.18 0.00 0.00 0.00 0.00 44.72 45.18 1i8a s GLY 147 CO 0.19 0.79 0.44 -0.12 0.00 0.00 0.00 173.10 174.39 1i8a s PHE 148 N -1.22 -0.39 0.06 1.90 5.36 0.28 -1.35 117.98 122.62 1i8a s PHE 148 Ca 0.37 0.78 -0.25 0.00 -0.96 0.00 0.00 56.93 56.87 1i8a s PHE 148 Cb -0.22 0.19 0.07 0.00 -0.34 0.00 0.00 43.02 42.71 1i8a s PHE 148 CO 0.25 -0.38 0.60 1.21 -1.46 0.00 0.00 175.22 175.44 1i8a s ASN 149 N -0.74 -0.56 -0.02 6.13 2.47 -0.99 -0.75 114.94 120.48 1i8a s ASN 149 Ca -0.08 0.27 0.00 0.00 0.42 0.00 0.00 52.86 53.47 1i8a s ASN 149 Cb -0.03 0.55 0.03 0.00 -1.45 0.00 0.00 41.25 40.35 1i8a s ASN 149 CO 0.04 -0.79 0.03 -0.51 -3.72 0.00 0.00 177.10 172.14 1i8a s ILE 150 N -2.62 -0.04 0.04 -5.21 2.07 -1.26 -0.42 121.20 113.76 1i8a s ILE 150 Ca -0.04 0.20 0.08 0.00 -1.41 0.00 0.00 60.65 59.49 1i8a s ILE 150 Cb -0.01 -0.10 -0.03 0.00 0.13 0.00 0.00 42.46 42.46 1i8a s ILE 150 CO -0.03 0.09 -0.24 -1.58 -1.91 0.00 0.00 174.94 171.27 1i8a s GLN 151 N 1.06 1.69 -0.19 3.50 0.74 0.17 -2.03 119.66 124.60 1i8a s GLN 151 Ca -0.09 -1.02 -0.01 0.00 0.05 0.00 0.00 55.36 54.29 1i8a s GLN 151 Cb -0.13 -1.81 0.00 0.00 1.10 0.00 0.00 33.01 32.17 1i8a s GLN 151 CO -0.03 0.47 -0.12 0.08 -0.55 0.00 0.00 175.29 175.14 1i8a s VAL 152 N -0.77 2.73 -0.15 1.34 1.01 0.76 -0.38 120.40 124.95 1i8a s VAL 152 Ca 0.10 -0.72 -0.14 0.00 0.00 0.00 0.00 61.98 61.22 1i8a s VAL 152 Cb -0.09 -2.20 -0.05 0.00 0.00 0.00 0.00 36.38 34.04 1i8a s VAL 152 CO 0.02 0.49 0.32 0.20 0.00 0.00 0.00 175.10 176.12 1i8a s ASN 153 N 1.29 6.48 -0.22 3.32 0.01 -0.20 -2.46 114.94 123.17 1i8a s ASN 153 Ca 0.04 0.56 -0.01 0.00 -0.71 0.00 0.00 52.86 52.75 1i8a s ASN 153 Cb -0.14 -2.20 0.02 0.00 0.41 0.00 0.00 41.25 39.34 1i8a s ASN 153 CO -0.07 0.09 -0.12 -0.62 -1.51 0.00 0.00 177.10 174.88 1i8a s ASP 154 N 0.44 3.86 0.05 -1.22 2.15 0.57 -2.68 116.67 119.84 1i8a s ASP 154 Ca 0.18 -0.75 0.04 0.00 0.43 0.00 0.00 52.55 52.45 1i8a s ASP 154 Cb -0.13 -1.59 -0.04 0.00 -0.30 0.00 0.00 42.92 40.86 1i8a s ASP 154 CO 0.05 -0.06 -0.05 0.00 -0.17 0.00 0.00 175.17 174.94 1i8a s ALA 155 N 1.32 3.11 0.44 3.66 0.00 -1.26 0.21 121.76 129.24 1i8a s ALA 155 Ca 0.02 -1.09 0.05 0.00 0.00 0.00 0.00 51.96 50.94 1i8a s ALA 155 Cb -0.15 -1.12 0.07 0.00 0.00 0.00 0.00 23.12 21.92 1i8a s ALA 155 CO -0.08 0.65 0.55 0.27 0.00 0.00 0.00 175.76 177.15 1i8a n ASN 156 N 1.08 1.24 0.31 0.00 0.23 -0.47 -4.53 115.26 113.12 1i8a n ASN 156 Ca -0.14 -1.93 0.21 0.00 -0.53 0.00 0.00 54.58 52.19 1i8a n ASN 156 Cb 0.52 -0.31 1.10 0.00 -2.08 0.00 0.00 39.78 39.01 1i8a n ASN 156 CO 0.00 0.00 0.00 1.05 -0.93 0.00 0.00 177.26 177.38 1i8a h GLU 157 N 0.00 0.00 -0.16 -3.83 9.09 -1.90 -1.08 114.58 116.70 1i8a h GLU 157 Ca -0.19 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.22 1i8a h GLU 157 Cb 0.80 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.90 1i8a h GLU 157 CO 0.25 0.00 0.00 1.63 0.05 0.00 0.00 179.01 180.94 1i8a n LYS 158 N -2.95 1.79 -1.42 1.06 5.02 -1.26 -4.93 118.16 115.48 1i8a n LYS 158 Ca -0.03 -1.19 -0.07 0.00 -2.02 0.00 0.00 58.31 55.01 1i8a n LYS 158 Cb 0.07 -1.42 -0.02 0.00 -0.02 0.00 0.00 35.03 33.64 1i8a n LYS 158 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1i8a n GLY 159 N 1.17 0.71 3.49 0.72 0.00 -0.41 -4.95 105.19 105.93 1i8a n GLY 159 Ca 0.17 -0.71 -0.33 0.00 0.00 0.00 0.00 46.02 45.14 1i8a n GLY 159 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1i8a s GLN 160 N -2.99 2.64 -0.09 1.61 -0.21 -1.26 -4.09 119.66 115.26 1i8a s GLN 160 Ca 0.00 -0.66 -0.30 0.00 0.02 0.00 0.00 55.36 54.43 1i8a s GLN 160 Cb 0.00 -2.45 -0.02 0.00 1.00 0.00 0.00 33.01 31.54 1i8a s GLN 160 CO 0.00 0.60 1.09 0.50 -2.12 0.00 0.00 175.29 175.36 1i8a s ARG 161 N -0.66 4.39 0.00 2.91 3.52 -1.26 -1.36 118.95 126.49 1i8a s ARG 161 Ca 0.10 1.51 0.02 0.00 -0.13 0.00 0.00 55.73 57.23 1i8a s ARG 161 Cb -0.11 -3.55 -0.01 0.00 -1.56 0.00 0.00 34.95 29.72 1i8a s ARG 161 CO 0.01 -0.38 0.23 1.33 -0.81 0.00 0.00 175.30 175.68 1i8a n VAL 162 N 4.60 0.00 -3.80 7.11 0.24 0.13 -4.97 118.33 121.64 1i8a n VAL 162 Ca 0.10 -0.46 -0.13 0.00 -2.04 0.00 0.00 64.34 61.80 1i8a n VAL 162 Cb 0.48 1.01 -0.14 0.00 -1.47 0.00 0.00 33.84 33.72 1i8a n VAL 162 CO 0.00 0.00 0.00 -0.83 -2.14 0.00 0.00 176.83 173.86 1i8a s GLY 163 N -0.93 -0.01 -0.26 7.63 0.00 -0.85 -3.33 107.32 109.57 1i8a s GLY 163 Ca 0.01 0.34 -0.04 0.00 0.00 0.00 0.00 44.72 45.04 1i8a s GLY 163 CO 0.07 0.50 0.10 -0.42 0.00 0.00 0.00 173.10 173.35 1i8a s ILE 164 N 0.56 0.16 -0.03 0.90 1.01 -0.17 -0.31 121.20 123.33 1i8a s ILE 164 Ca -0.04 -0.72 0.02 0.00 0.00 0.00 0.00 60.65 59.90 1i8a s ILE 164 Cb -0.06 -1.02 0.01 0.00 0.01 0.00 0.00 42.46 41.40 1i8a s ILE 164 CO -0.02 -0.56 -0.07 -0.63 0.00 0.00 0.00 174.94 173.66 1i8a s ILE 165 N 1.99 0.62 0.06 2.92 1.01 -1.03 -0.54 121.20 126.24 1i8a s ILE 165 Ca 0.06 -0.26 0.01 0.00 0.00 0.00 0.00 60.65 60.47 1i8a s ILE 165 Cb -0.16 -0.57 -0.00 0.00 0.01 0.00 0.00 42.46 41.73 1i8a s ILE 165 CO -0.26 0.21 0.04 -1.54 0.00 0.00 0.00 174.94 173.39 1i8a n SER 166 N 3.43 0.47 -0.09 3.58 3.41 0.03 -0.17 113.62 124.29 1i8a n SER 166 Ca -0.19 -1.37 -0.17 0.00 -0.26 0.00 0.00 58.87 56.88 1i8a n SER 166 Cb 0.54 0.23 -0.11 0.00 -0.26 0.00 0.00 64.21 64.60 1i8a n SER 166 CO 0.00 0.00 0.00 -0.25 -0.16 0.00 0.00 175.04 174.63 1i8a h TRP 167 N 1.15 0.00 -0.00 7.33 7.01 -1.65 0.20 115.95 129.98 1i8a h TRP 167 Ca -0.05 0.00 0.00 0.00 2.11 0.00 0.00 58.89 60.95 1i8a h TRP 167 Cb 0.21 0.00 0.00 0.00 -2.10 0.00 0.00 29.16 27.27 1i8a h TRP 167 CO 0.00 1.16 -0.34 -1.13 -2.79 0.00 0.00 178.44 175.34 1i8a n SER 168 N -4.53 0.61 -4.00 2.65 3.41 -1.26 -4.34 113.62 106.16 1i8a n SER 168 Ca -0.20 -0.81 -0.31 0.00 -0.26 0.00 0.00 58.87 57.30 1i8a n SER 168 Cb 0.55 0.85 -0.16 0.00 -0.26 0.00 0.00 64.21 65.19 1i8a n SER 168 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1i8a s ASP 169 N -1.65 3.35 -0.16 4.04 2.15 -1.25 -4.80 116.67 118.36 1i8a s ASP 169 Ca 0.04 -0.86 0.16 0.00 0.43 0.00 0.00 52.55 52.32 1i8a s ASP 169 Cb 0.07 -1.25 0.74 0.00 -0.30 0.00 0.00 42.92 42.18 1i8a s ASP 169 CO 0.31 -0.13 1.64 -0.81 -0.17 0.00 0.00 175.17 176.01 1i8a n PRO 170 N 4.68 4.10 0.00 4.34 -0.04 -1.26 -4.29 135.00 142.53 1i8a n PRO 170 Ca -0.15 -2.87 0.00 0.00 -0.04 0.00 0.00 63.50 60.44 1i8a n PRO 170 Cb 0.47 -2.03 0.00 0.00 -0.04 0.00 0.00 33.50 31.90 1i8a n PRO 170 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 1i8a n THR 171 N 0.89 0.10 -3.73 0.52 -2.24 -1.26 -3.87 114.28 104.69 1i8a n THR 171 Ca 0.26 -0.55 -0.25 0.00 -2.27 0.00 0.00 64.05 61.24 1i8a n THR 171 Cb 0.99 0.96 0.05 0.00 -2.10 0.00 0.00 70.33 70.22 1i8a n THR 171 CO 0.00 0.00 0.00 -3.20 -0.57 0.00 0.00 175.07 171.30 1i8a n ASN 172 N -0.05 -4.12 -0.00 3.42 5.15 -1.26 -4.89 115.26 113.50 1i8a n ASN 172 Ca 0.00 -0.71 0.00 0.00 -0.60 0.00 0.00 54.58 53.27 1i8a n ASN 172 Cb 0.03 -4.36 0.00 0.00 -0.53 0.00 0.00 39.78 34.92 1i8a n ASN 172 CO 0.00 0.00 0.00 0.59 1.40 0.00 0.00 177.26 179.25 1i8a n ASN 173 N -2.96 1.48 0.13 1.20 3.02 -1.26 -4.71 115.26 112.14 1i8a n ASN 173 Ca -0.08 -1.47 0.14 0.00 -0.03 0.00 0.00 54.58 53.13 1i8a n ASN 173 Cb 0.58 -0.00 0.65 0.00 -0.61 0.00 0.00 39.78 40.41 1i8a n ASN 173 CO 0.00 0.00 0.00 0.28 -2.62 0.00 0.00 177.26 174.92 1i8a h SER 174 N 0.02 0.02 0.32 6.41 0.02 -1.90 0.38 113.55 118.81 1i8a h SER 174 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1i8a h SER 174 Cb 0.24 -0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.77 1i8a h SER 174 CO 0.00 0.02 0.00 -2.67 -1.14 0.00 0.00 176.83 173.04 1i8a n TRP 175 N -4.46 0.16 -0.43 3.45 4.27 -1.26 -3.63 117.44 115.54 1i8a n TRP 175 Ca 0.03 0.07 0.00 0.00 -3.89 0.00 0.00 57.50 53.71 1i8a n TRP 175 Cb 0.33 -0.61 0.00 0.00 -1.36 0.00 0.00 31.31 29.67 1i8a n TRP 175 CO 0.00 0.00 0.00 2.89 -2.29 0.00 0.00 177.69 178.29 1i8a n ARG 176 N -1.65 0.00 -3.72 -2.67 1.85 -0.30 -4.73 116.66 105.44 1i8a n ARG 176 Ca 0.02 0.00 -0.30 0.00 -1.00 0.00 0.00 57.85 56.57 1i8a n ARG 176 Cb 0.11 -0.12 -0.14 0.00 -1.05 0.00 0.00 32.46 31.26 1i8a n ARG 176 CO 0.00 0.00 0.00 0.34 -0.01 0.00 0.00 177.63 177.96 1i8a s ASP 177 N 0.00 3.79 0.66 2.89 -1.08 0.12 -3.79 116.67 119.26 1i8a s ASP 177 Ca 0.00 -2.32 0.39 0.00 -0.52 0.00 0.00 52.55 50.11 1i8a s ASP 177 Cb 0.00 -1.00 2.17 0.00 -1.46 0.00 0.00 42.92 42.63 1i8a s ASP 177 CO 0.00 -0.31 2.24 -0.65 0.52 0.00 0.00 175.17 176.97 1i8a h PRO 178 N 7.16 0.00 0.00 4.34 0.11 -1.76 -1.31 132.00 140.53 1i8a h PRO 178 Ca -0.04 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.07 1i8a h PRO 178 Cb 0.96 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.07 1i8a h PRO 178 CO 0.47 0.00 0.00 -1.13 -0.21 0.00 0.00 178.00 177.13 1i8a n SER 179 N -3.12 0.12 -0.28 -2.05 3.41 -0.38 -1.24 113.62 110.08 1i8a n SER 179 Ca -0.02 0.54 0.13 0.00 -0.26 0.00 0.00 58.87 59.25 1i8a n SER 179 Cb 0.16 -0.56 0.39 0.00 -0.26 0.00 0.00 64.21 63.94 1i8a n SER 179 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 1i8a n LYS 180 N -1.64 0.97 -2.15 4.33 4.76 -0.49 -4.90 118.16 119.03 1i8a n LYS 180 Ca 0.02 -0.57 -0.30 0.00 -2.87 0.00 0.00 58.31 54.59 1i8a n LYS 180 Cb 0.14 -1.49 -0.00 0.00 -1.84 0.00 0.00 35.03 31.84 1i8a n LYS 180 CO 0.00 0.00 0.00 -0.06 -1.37 0.00 0.00 177.40 175.97 1i8a s PHE 181 N -2.43 3.58 0.29 2.13 0.08 -0.37 -3.87 117.98 117.40 1i8a s PHE 181 Ca 0.26 1.21 0.02 0.00 0.12 0.00 0.00 56.93 58.54 1i8a s PHE 181 Cb 0.19 -2.64 0.06 0.00 -0.57 0.00 0.00 43.02 40.06 1i8a s PHE 181 CO 0.49 -0.53 0.40 0.41 -0.10 0.00 0.00 175.22 175.90 1i8a n GLY 182 N -2.40 1.18 3.58 4.36 0.00 0.07 -4.75 105.19 107.22 1i8a n GLY 182 Ca 0.05 -2.06 -0.34 0.00 0.00 0.00 0.00 46.02 43.67 1i8a n GLY 182 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1i8a s ASN 183 N -2.69 5.02 -0.22 1.61 0.01 0.25 -0.56 114.94 118.37 1i8a s ASN 183 Ca 0.28 -0.01 0.02 0.00 -0.71 0.00 0.00 52.86 52.44 1i8a s ASN 183 Cb -0.02 -1.66 0.04 0.00 0.41 0.00 0.00 41.25 40.02 1i8a s ASN 183 CO 0.18 0.25 -0.15 -0.22 -1.51 0.00 0.00 177.10 175.66 1i8a s LEU 184 N -0.11 2.70 -0.17 0.60 2.96 0.12 -1.18 118.68 123.60 1i8a s LEU 184 Ca 0.03 -1.00 -0.20 0.00 -0.22 0.00 0.00 54.13 52.75 1i8a s LEU 184 Cb -0.13 -1.46 -0.03 0.00 0.50 0.00 0.00 46.19 45.07 1i8a s LEU 184 CO 0.02 -0.10 0.57 0.00 -1.32 0.00 0.00 176.35 175.52 1i8a s ARG 185 N 1.23 4.26 -0.54 1.98 1.70 -0.10 -1.47 118.95 126.00 1i8a s ARG 185 Ca -0.02 0.54 -0.23 0.00 -0.47 0.00 0.00 55.73 55.56 1i8a s ARG 185 Cb -0.16 -3.53 0.05 0.00 -0.57 0.00 0.00 34.95 30.73 1i8a s ARG 185 CO -0.09 -0.09 0.86 -0.51 -1.08 0.00 0.00 175.30 174.39 1i8a s LEU 186 N 1.43 4.33 0.20 -1.89 1.43 0.46 -1.28 118.68 123.34 1i8a s LEU 186 Ca 0.28 -0.51 0.06 0.00 -1.03 0.00 0.00 54.13 52.93 1i8a s LEU 186 Cb -0.16 -2.72 -0.04 0.00 0.03 0.00 0.00 46.19 43.30 1i8a s LEU 186 CO 0.11 -1.15 0.12 0.27 0.23 0.00 0.00 176.35 175.93 1i8a s ILE 187 N 3.62 4.26 -2.00 -0.59 -4.36 -0.19 0.90 121.20 122.84 1i8a s ILE 187 Ca 0.26 -1.30 0.09 0.00 -0.26 0.00 0.00 60.65 59.44 1i8a s ILE 187 Cb -0.14 -3.22 0.25 0.00 1.25 0.00 0.00 42.46 40.60 1i8a s ILE 187 CO 0.17 -0.20 0.97 2.29 0.24 0.00 0.00 174.94 178.41