#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1i8u s VAL 1 N 0.00 1.35 0.24 1.12 -7.23 -1.26 0.02 120.40 114.64 1i8u s VAL 1 Ca 0.00 -0.73 0.00 0.00 -1.81 0.00 0.00 61.98 59.45 1i8u s VAL 1 Cb 0.00 -1.13 -0.03 0.00 0.56 0.00 0.00 36.38 35.78 1i8u s VAL 1 CO 0.00 0.38 0.20 0.00 -0.31 0.00 0.00 175.10 175.37 1i8u s ALA 2 N -0.35 1.24 0.10 1.32 0.00 0.17 -4.97 121.76 119.28 1i8u s ALA 2 Ca 0.05 -1.74 0.04 0.00 0.00 0.00 0.00 51.96 50.32 1i8u s ALA 2 Cb -0.07 1.39 -0.03 0.00 0.00 0.00 0.00 23.12 24.40 1i8u s ALA 2 CO -0.00 -0.63 -0.12 0.95 0.00 0.00 0.00 175.76 175.96 1i8u s THR 3 N -3.95 1.06 -0.06 0.00 -4.23 -1.26 -0.55 115.64 106.65 1i8u s THR 3 Ca 0.38 -1.60 -0.00 0.00 -1.18 0.00 0.00 61.69 59.29 1i8u s THR 3 Cb 0.05 -1.34 0.02 0.00 1.34 0.00 0.00 72.50 72.57 1i8u s THR 3 CO 0.16 -0.47 -0.03 0.00 -0.54 0.00 0.00 174.62 173.74 1i8u s ALA 4 N -2.16 0.75 0.45 3.99 0.00 -0.30 -4.43 121.76 120.06 1i8u s ALA 4 Ca 0.05 -0.13 -0.20 0.00 0.00 0.00 0.00 51.96 51.67 1i8u s ALA 4 Cb -0.05 -0.60 -0.10 0.00 0.00 0.00 0.00 23.12 22.37 1i8u s ALA 4 CO 0.01 -0.24 0.97 0.15 0.00 0.00 0.00 175.76 176.65 1i8u s LYS 5 N 1.42 4.12 0.33 0.00 -0.14 -1.19 -1.66 119.74 122.63 1i8u s LYS 5 Ca -0.03 1.14 -0.29 0.00 -1.36 0.00 0.00 55.97 55.43 1i8u s LYS 5 Cb -0.13 -2.16 -0.10 0.00 -1.68 0.00 0.00 37.83 33.75 1i8u s LYS 5 CO -0.03 -0.13 1.31 -0.47 -0.76 0.00 0.00 175.35 175.28 1i8u s TYR 6 N -2.21 3.03 0.00 3.18 5.04 -0.50 -1.83 117.35 124.06 1i8u s TYR 6 Ca 0.62 1.40 0.00 0.00 -2.44 0.00 0.00 57.07 56.65 1i8u s TYR 6 Cb -0.10 -3.69 0.00 0.00 0.35 0.00 0.00 41.96 38.51 1i8u s TYR 6 CO 0.17 -1.91 0.00 0.41 -1.34 0.00 0.00 175.55 172.88 1i8u n GLY 7 N 0.83 2.55 2.85 8.97 0.00 0.11 -4.78 105.19 115.71 1i8u n GLY 7 Ca 0.00 -0.69 -0.30 0.00 0.00 0.00 0.00 46.02 45.03 1i8u n GLY 7 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1i8u s THR 8 N -2.00 1.56 0.66 2.61 2.01 -1.26 -3.70 115.64 115.52 1i8u s THR 8 Ca 0.00 -2.02 -0.06 0.00 0.31 0.00 0.00 61.69 59.93 1i8u s THR 8 Cb 0.00 -2.15 0.04 0.00 0.01 0.00 0.00 72.50 70.40 1i8u s THR 8 CO 0.00 -0.68 0.96 -2.16 -0.69 0.00 0.00 174.62 172.04 1i8u s PRO 9 N 1.07 2.42 -0.18 4.92 0.04 -1.26 -5.06 135.00 136.95 1i8u s PRO 9 Ca 0.12 -0.25 -0.14 0.00 0.04 0.00 0.00 61.00 60.77 1i8u s PRO 9 Cb -0.19 -2.23 -0.04 0.00 0.04 0.00 0.00 34.50 32.07 1i8u s PRO 9 CO -0.14 -1.05 0.30 0.08 0.04 0.00 0.00 177.00 176.24 1i8u s VAL 10 N -3.13 5.29 -0.60 -0.36 1.01 -1.26 -5.03 120.40 116.32 1i8u s VAL 10 Ca 0.58 0.54 -0.27 0.00 0.00 0.00 0.00 61.98 62.83 1i8u s VAL 10 Cb -0.11 -3.64 0.03 0.00 0.00 0.00 0.00 36.38 32.67 1i8u s VAL 10 CO 0.44 0.35 1.14 -0.63 0.00 0.00 0.00 175.10 176.40 1i8u s ILE 11 N 0.74 4.07 0.00 2.22 -1.09 -1.26 -4.60 121.20 121.28 1i8u s ILE 11 Ca 0.16 0.66 0.00 0.00 -2.23 0.00 0.00 60.65 59.24 1i8u s ILE 11 Cb -0.13 -4.71 0.00 0.00 -1.58 0.00 0.00 42.46 36.03 1i8u s ILE 11 CO 0.05 -1.37 0.00 -0.90 -1.23 0.00 0.00 174.94 171.49 1i8u n ASP 12 N 8.33 0.00 0.00 3.58 5.68 -1.26 -4.84 116.55 128.04 1i8u n ASP 12 Ca 0.06 -0.86 0.00 0.00 -0.50 0.00 0.00 54.79 53.49 1i8u n ASP 12 Cb 0.49 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.47 1i8u n ASP 12 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1i8u n GLY 13 N 0.00 1.12 3.88 6.12 0.00 -1.26 -4.77 105.19 110.28 1i8u n GLY 13 Ca 0.00 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.68 1i8u n GLY 13 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1i8u s GLU 14 N -0.47 3.63 -0.58 1.61 0.41 -1.26 -4.69 118.70 117.35 1i8u s GLU 14 Ca 0.00 -0.03 -0.24 0.00 -0.41 0.00 0.00 54.97 54.30 1i8u s GLU 14 Cb 0.00 -3.01 0.05 0.00 -1.78 0.00 0.00 34.13 29.39 1i8u s GLU 14 CO 0.00 0.58 0.95 0.42 -0.49 0.00 0.00 175.26 176.73 1i8u s ILE 15 N -1.41 4.36 0.64 -1.63 1.01 -1.26 -4.97 121.20 117.94 1i8u s ILE 15 Ca 0.32 0.14 -0.17 0.00 0.00 0.00 0.00 60.65 60.94 1i8u s ILE 15 Cb -0.13 -4.58 -0.01 0.00 0.01 0.00 0.00 42.46 37.75 1i8u s ILE 15 CO 0.19 -1.21 1.20 -1.81 0.00 0.00 0.00 174.94 173.31 1i8u s ASP 16 N 3.05 4.88 0.33 3.58 1.11 -1.26 -4.91 116.67 123.45 1i8u s ASP 16 Ca 0.29 2.33 0.01 0.00 0.18 0.00 0.00 52.55 55.36 1i8u s ASP 16 Cb -0.13 -2.59 0.57 0.00 1.07 0.00 0.00 42.92 41.84 1i8u s ASP 16 CO 0.17 -1.80 1.97 -0.08 1.18 0.00 0.00 175.17 176.62 1i8u h GLU 17 N 0.42 0.93 -0.72 8.23 4.81 -2.03 -2.50 114.58 123.71 1i8u h GLU 17 Ca -0.49 -0.06 0.21 0.00 -0.13 0.00 0.00 59.36 58.89 1i8u h GLU 17 Cb 1.29 -0.21 -0.03 0.00 0.63 0.00 0.00 28.75 30.43 1i8u h GLU 17 CO 0.53 0.61 0.52 0.97 -0.73 0.00 0.00 179.01 180.91 1i8u h ILE 18 N 0.95 0.65 -0.06 2.32 2.10 -2.00 -1.13 117.51 120.35 1i8u h ILE 18 Ca 0.29 -0.01 0.02 0.00 1.08 0.00 0.00 64.86 66.24 1i8u h ILE 18 Cb -0.00 0.63 -0.00 0.00 -1.09 0.00 0.00 36.82 36.35 1i8u h ILE 18 CO -0.08 0.00 0.06 -0.50 -1.08 0.00 0.00 178.15 176.55 1i8u h TRP 19 N 0.02 0.00 0.00 2.19 4.06 -1.82 -0.87 115.95 119.54 1i8u h TRP 19 Ca 0.34 0.00 0.00 0.00 2.06 0.00 0.00 58.89 61.29 1i8u h TRP 19 Cb 1.35 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 29.51 1i8u h TRP 19 CO -0.00 0.00 0.00 0.09 -3.56 0.00 0.00 178.44 174.97 1i8u n ASN 20 N -3.91 0.50 -0.10 -3.49 3.02 -0.43 -2.97 115.26 107.88 1i8u n ASN 20 Ca -0.02 0.60 0.14 0.00 -0.03 0.00 0.00 54.58 55.28 1i8u n ASN 20 Cb 0.15 -0.72 0.58 0.00 -0.61 0.00 0.00 39.78 39.18 1i8u n ASN 20 CO 0.00 0.00 0.00 0.35 -2.62 0.00 0.00 177.26 174.99 1i8u n THR 21 N -2.03 0.00 -4.39 3.41 -2.24 -0.33 -4.87 114.28 103.84 1i8u n THR 21 Ca 0.03 -0.05 -0.25 0.00 -2.27 0.00 0.00 64.05 61.51 1i8u n THR 21 Cb 0.25 -0.09 -0.10 0.00 -2.10 0.00 0.00 70.33 68.29 1i8u n THR 21 CO 0.00 0.00 0.00 0.28 -0.57 0.00 0.00 175.07 174.78 1i8u s THR 22 N -2.56 2.76 0.67 4.28 -1.32 -1.16 -4.86 115.64 113.45 1i8u s THR 22 Ca 0.26 -2.06 -0.15 0.00 -1.21 0.00 0.00 61.69 58.53 1i8u s THR 22 Cb 0.20 -2.40 0.01 0.00 -1.51 0.00 0.00 72.50 68.79 1i8u s THR 22 CO 0.50 -0.25 1.12 -1.83 -2.21 0.00 0.00 174.62 171.95 1i8u s GLU 23 N -3.15 2.70 -0.16 7.08 -1.05 -1.26 -4.92 118.70 117.94 1i8u s GLU 23 Ca 0.26 1.43 -0.05 0.00 -0.15 0.00 0.00 54.97 56.46 1i8u s GLU 23 Cb -0.07 -1.93 -0.03 0.00 -0.44 0.00 0.00 34.13 31.65 1i8u s GLU 23 CO 0.14 -1.33 0.02 -2.00 0.95 0.00 0.00 175.26 173.04 1i8u s GLU 24 N -4.09 3.71 0.29 -4.83 2.12 -1.26 -4.25 118.70 110.40 1i8u s GLU 24 Ca 0.68 -0.41 0.09 0.00 0.36 0.00 0.00 54.97 55.69 1i8u s GLU 24 Cb -0.21 -3.04 -0.05 0.00 0.26 0.00 0.00 34.13 31.09 1i8u s GLU 24 CO 0.42 0.34 0.01 0.96 -0.54 0.00 0.00 175.26 176.45 1i8u s ILE 25 N 0.15 3.17 0.09 -3.70 -4.36 0.91 -4.90 121.20 112.55 1i8u s ILE 25 Ca 0.02 -1.91 0.09 0.00 -0.26 0.00 0.00 60.65 58.58 1i8u s ILE 25 Cb -0.13 -2.83 -0.03 0.00 1.25 0.00 0.00 42.46 40.72 1i8u s ILE 25 CO 0.02 -0.31 -0.23 -1.61 0.24 0.00 0.00 174.94 173.05 1i8u s GLU 26 N -3.70 1.34 -0.55 0.37 0.41 -1.26 -0.16 118.70 115.16 1i8u s GLU 26 Ca 0.33 -1.14 -0.24 0.00 -0.41 0.00 0.00 54.97 53.51 1i8u s GLU 26 Cb -0.04 -1.62 0.04 0.00 -1.78 0.00 0.00 34.13 30.73 1i8u s GLU 26 CO 0.20 0.39 0.91 0.95 -0.49 0.00 0.00 175.26 177.22 1i8u s THR 27 N -1.00 4.44 0.00 3.63 -4.23 -1.05 -4.62 115.64 112.82 1i8u s THR 27 Ca 0.09 0.18 0.00 0.00 -1.18 0.00 0.00 61.69 60.79 1i8u s THR 27 Cb -0.10 -4.51 0.00 0.00 1.34 0.00 0.00 72.50 69.23 1i8u s THR 27 CO 0.04 -1.08 0.48 0.29 -0.54 0.00 0.00 174.62 173.81 1i8u n LYS 28 N 7.31 0.08 -2.79 3.99 5.02 -0.87 -4.64 118.16 126.26 1i8u n LYS 28 Ca 0.01 -0.58 -0.43 0.00 -2.02 0.00 0.00 58.31 55.29 1i8u n LYS 28 Cb 0.47 -0.84 -0.03 0.00 -0.02 0.00 0.00 35.03 34.61 1i8u n LYS 28 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1i8u s ALA 29 N -0.19 3.10 0.02 7.82 0.00 0.38 -4.94 121.76 127.95 1i8u s ALA 29 Ca 0.00 -2.28 -0.30 0.00 0.00 0.00 0.00 51.96 49.38 1i8u s ALA 29 Cb 0.00 -4.12 -0.04 0.00 0.00 0.00 0.00 23.12 18.96 1i8u s ALA 29 CO 0.00 -3.09 1.04 0.08 0.00 0.00 0.00 175.76 173.79 1i8u s VAL 30 N 3.84 4.62 -0.08 0.00 1.01 -1.26 -1.68 120.40 126.84 1i8u s VAL 30 Ca 0.33 1.90 0.04 0.00 0.00 0.00 0.00 61.98 64.24 1i8u s VAL 30 Cb -0.07 -4.22 -0.08 0.00 0.00 0.00 0.00 36.38 32.02 1i8u s VAL 30 CO -0.02 0.16 -0.03 0.00 0.00 0.00 0.00 175.10 175.21 1i8u n ALA 31 N 3.84 1.81 -3.38 5.51 0.00 0.09 -4.62 120.51 123.76 1i8u n ALA 31 Ca 0.07 -0.44 -0.12 0.00 0.00 0.00 0.00 53.44 52.94 1i8u n ALA 31 Cb 0.50 0.19 -0.11 0.00 0.00 0.00 0.00 19.45 20.03 1i8u n ALA 31 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 177.50 178.91 1i8u s MET 32 N -2.18 0.40 0.98 0.00 -2.45 -0.67 -4.91 119.30 110.47 1i8u s MET 32 Ca -0.08 0.56 0.00 0.00 -1.25 0.00 0.00 55.69 54.92 1i8u s MET 32 Cb 0.03 0.13 0.00 0.00 1.25 0.00 0.00 34.83 36.24 1i8u s MET 32 CO 0.26 -0.08 0.00 0.41 1.05 0.00 0.00 175.02 176.66 1i8u n GLY 33 N 3.26 -1.72 3.10 2.11 0.00 -1.22 -0.62 105.19 110.10 1i8u n GLY 33 Ca -0.16 -1.66 -0.09 0.00 0.00 0.00 0.00 46.02 44.11 1i8u n GLY 33 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1i8u s SER 34 N -4.00 0.25 0.28 1.61 1.04 -1.26 -4.99 113.70 106.62 1i8u s SER 34 Ca 0.00 -0.63 -0.04 0.00 0.48 0.00 0.00 55.95 55.76 1i8u s SER 34 Cb 0.00 0.21 0.36 0.00 0.10 0.00 0.00 66.02 66.70 1i8u s SER 34 CO 0.00 -0.52 1.95 -0.07 0.98 0.00 0.00 173.24 175.58 1i8u h LEU 35 N 3.61 1.05 -0.12 2.42 3.38 -1.95 0.11 115.31 123.80 1i8u h LEU 35 Ca -0.33 -0.03 0.00 0.00 0.09 0.00 0.00 57.88 57.62 1i8u h LEU 35 Cb 1.18 -0.26 0.00 0.00 0.09 0.00 0.00 40.66 41.67 1i8u h LEU 35 CO 0.53 0.75 -0.07 -0.90 0.09 0.00 0.00 178.44 178.84 1i8u n ASP 36 N -4.40 0.26 0.00 -0.43 5.75 -1.26 -4.12 116.55 112.36 1i8u n ASP 36 Ca 0.11 -0.37 0.00 0.00 -0.01 0.00 0.00 54.79 54.51 1i8u n ASP 36 Cb 0.03 -0.16 0.00 0.00 -1.03 0.00 0.00 41.12 39.96 1i8u n ASP 36 CO 0.00 0.00 0.00 0.29 -0.11 0.00 0.00 177.20 177.38 1i8u n LYS 37 N -1.12 2.23 -4.56 0.11 4.01 -0.98 -5.10 118.16 112.75 1i8u n LYS 37 Ca 0.14 0.00 -0.28 0.00 -0.51 0.00 0.00 58.31 57.66 1i8u n LYS 37 Cb 0.26 -0.78 -0.10 0.00 -0.51 0.00 0.00 35.03 33.91 1i8u n LYS 37 CO 0.00 0.00 0.00 -0.80 -1.11 0.00 0.00 177.40 175.49 1i8u s ASN 38 N -1.34 4.00 0.18 4.39 -0.87 0.33 -4.92 114.94 116.71 1i8u s ASN 38 Ca 0.00 -1.36 -0.32 0.00 -1.57 0.00 0.00 52.86 49.61 1i8u s ASN 38 Cb 0.00 -0.28 -0.11 0.00 -0.02 0.00 0.00 41.25 40.84 1i8u s ASN 38 CO 0.00 -0.53 1.76 0.00 -2.57 0.00 0.00 177.10 175.76 1i8u s ALA 39 N -2.72 3.88 0.17 0.60 0.00 -1.26 -4.80 121.76 117.63 1i8u s ALA 39 Ca 0.32 1.54 0.01 0.00 0.00 0.00 0.00 51.96 53.84 1i8u s ALA 39 Cb 0.08 -3.72 -0.05 0.00 0.00 0.00 0.00 23.12 19.44 1i8u s ALA 39 CO 0.17 -1.02 0.02 0.95 0.00 0.00 0.00 175.76 175.87 1i8u s THR 40 N 1.68 0.56 0.04 0.00 -4.23 -1.19 -4.70 115.64 107.80 1i8u s THR 40 Ca 0.77 -1.97 0.02 0.00 -1.18 0.00 0.00 61.69 59.34 1i8u s THR 40 Cb -0.48 -2.12 -0.02 0.00 1.34 0.00 0.00 72.50 71.21 1i8u s THR 40 CO 0.33 -0.46 -0.08 0.00 -0.54 0.00 0.00 174.62 173.87 1i8u s ALA 41 N -3.74 0.61 -0.21 3.99 0.00 -1.26 -1.11 121.76 120.04 1i8u s ALA 41 Ca 0.24 -0.78 -0.08 0.00 0.00 0.00 0.00 51.96 51.35 1i8u s ALA 41 Cb 0.06 0.04 -0.04 0.00 0.00 0.00 0.00 23.12 23.18 1i8u s ALA 41 CO 0.04 -0.01 0.07 0.15 0.00 0.00 0.00 175.76 176.01 1i8u s LYS 42 N -1.60 3.85 -0.03 0.00 1.02 -0.52 -2.51 119.74 119.95 1i8u s LYS 42 Ca -0.09 -0.39 0.06 0.00 0.02 0.00 0.00 55.97 55.57 1i8u s LYS 42 Cb -0.10 -3.29 -0.01 0.00 -0.52 0.00 0.00 37.83 33.91 1i8u s LYS 42 CO 0.00 0.07 -0.22 0.08 -0.92 0.00 0.00 175.35 174.36 1i8u s VAL 43 N 0.93 1.78 0.02 3.17 1.01 0.78 -1.09 120.40 127.00 1i8u s VAL 43 Ca 0.04 -0.95 0.08 0.00 0.00 0.00 0.00 61.98 61.15 1i8u s VAL 43 Cb -0.14 -1.49 -0.02 0.00 0.00 0.00 0.00 36.38 34.73 1i8u s VAL 43 CO 0.03 0.50 -0.23 -0.13 0.00 0.00 0.00 175.10 175.27 1i8u s ARG 44 N -0.39 1.72 -0.04 2.72 1.81 -0.35 -0.06 118.95 124.36 1i8u s ARG 44 Ca 0.05 -0.93 0.02 0.00 -1.72 0.00 0.00 55.73 53.15 1i8u s ARG 44 Cb -0.10 -1.77 0.01 0.00 -0.45 0.00 0.00 34.95 32.65 1i8u s ARG 44 CO 0.00 0.47 -0.08 0.08 -0.68 0.00 0.00 175.30 175.10 1i8u s VAL 45 N -0.68 0.73 0.32 3.52 1.01 -1.26 -0.96 120.40 123.08 1i8u s VAL 45 Ca 0.09 -0.28 0.04 0.00 0.00 0.00 0.00 61.98 61.83 1i8u s VAL 45 Cb -0.09 -0.68 -0.06 0.00 0.00 0.00 0.00 36.38 35.54 1i8u s VAL 45 CO 0.01 0.25 0.04 -0.76 0.00 0.00 0.00 175.10 174.64 1i8u s LEU 46 N 0.52 2.25 0.10 3.92 1.43 -0.22 -3.17 118.68 123.52 1i8u s LEU 46 Ca -0.08 -1.36 -0.24 0.00 -1.03 0.00 0.00 54.13 51.42 1i8u s LEU 46 Cb -0.12 -0.43 0.06 0.00 0.03 0.00 0.00 46.19 45.74 1i8u s LEU 46 CO 0.01 -0.57 0.59 -1.66 0.23 0.00 0.00 176.35 174.94 1i8u s TRP 47 N -3.24 -0.52 0.35 0.29 1.48 -0.76 -0.14 118.94 116.39 1i8u s TRP 47 Ca 0.36 0.46 0.02 0.00 -1.06 0.00 0.00 56.10 55.87 1i8u s TRP 47 Cb 0.08 0.48 -0.00 0.00 -1.16 0.00 0.00 33.47 32.87 1i8u s TRP 47 CO 0.15 -0.77 0.42 -0.40 -4.06 0.00 0.00 176.95 172.30 1i8u n ASP 48 N -0.03 -1.15 0.11 -2.66 5.68 -0.67 0.05 116.55 117.88 1i8u n ASP 48 Ca -0.17 -3.03 0.19 0.00 -0.50 0.00 0.00 54.79 51.28 1i8u n ASP 48 Cb 0.63 2.27 0.76 0.00 -1.14 0.00 0.00 41.12 43.64 1i8u n ASP 48 CO 0.00 0.00 0.00 -0.33 -1.33 0.00 0.00 177.20 175.54 1i8u h GLU 49 N 0.00 0.00 0.00 0.11 3.07 -1.96 -3.15 114.58 112.65 1i8u h GLU 49 Ca -0.26 0.00 -0.04 0.00 -0.50 0.00 0.00 59.36 58.56 1i8u h GLU 49 Cb 1.21 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 29.11 1i8u h GLU 49 CO 0.36 0.00 -1.56 0.09 -1.40 0.00 0.00 179.01 176.51 1i8u n ASN 50 N -3.90 2.42 -4.07 1.42 3.02 -1.26 -4.47 115.26 108.42 1i8u n ASN 50 Ca 0.06 0.00 -0.09 0.00 -0.03 0.00 0.00 54.58 54.52 1i8u n ASN 50 Cb 0.52 1.36 -0.09 0.00 -0.61 0.00 0.00 39.78 40.96 1i8u n ASN 50 CO 0.00 0.00 0.00 -0.31 -2.62 0.00 0.00 177.26 174.33 1i8u s TYR 51 N -2.68 0.61 -0.12 3.10 1.51 -1.19 -1.59 117.35 117.00 1i8u s TYR 51 Ca -0.04 -1.05 -0.01 0.00 -1.01 0.00 0.00 57.07 54.96 1i8u s TYR 51 Cb 0.06 -0.35 -0.02 0.00 -0.11 0.00 0.00 41.96 41.54 1i8u s TYR 51 CO 0.46 -0.49 -0.08 -1.17 -1.11 0.00 0.00 175.55 173.15 1i8u s LEU 52 N -2.97 3.02 -0.08 -1.29 2.96 0.46 -1.67 118.68 119.10 1i8u s LEU 52 Ca 0.15 -0.17 0.03 0.00 -0.22 0.00 0.00 54.13 53.92 1i8u s LEU 52 Cb 0.07 -1.69 -0.02 0.00 0.50 0.00 0.00 46.19 45.06 1i8u s LEU 52 CO -0.04 0.23 -0.17 -0.31 -1.32 0.00 0.00 176.35 174.74 1i8u s TYR 53 N -0.01 2.67 -0.08 5.38 1.51 0.80 -0.20 117.35 127.42 1i8u s TYR 53 Ca -0.01 -0.52 0.02 0.00 -1.01 0.00 0.00 57.07 55.55 1i8u s TYR 53 Cb -0.14 -1.70 0.02 0.00 -0.11 0.00 0.00 41.96 40.02 1i8u s TYR 53 CO 0.03 -0.09 -0.12 0.08 -1.11 0.00 0.00 175.55 174.34 1i8u s VAL 54 N -0.14 1.19 -0.29 0.71 1.01 -0.03 -1.05 120.40 121.79 1i8u s VAL 54 Ca -0.02 -0.48 -0.03 0.00 0.00 0.00 0.00 61.98 61.45 1i8u s VAL 54 Cb -0.14 -1.11 0.04 0.00 0.00 0.00 0.00 36.38 35.17 1i8u s VAL 54 CO 0.04 0.38 0.01 -0.22 0.00 0.00 0.00 175.10 175.30 1i8u s LEU 55 N 0.92 3.80 -0.23 3.92 2.96 -0.14 -0.60 118.68 129.30 1i8u s LEU 55 Ca -0.09 -1.10 -0.00 0.00 -0.22 0.00 0.00 54.13 52.71 1i8u s LEU 55 Cb -0.15 -1.74 0.03 0.00 0.50 0.00 0.00 46.19 44.83 1i8u s LEU 55 CO 0.01 -0.23 -0.11 0.00 -1.32 0.00 0.00 176.35 174.70 1i8u s ALA 56 N 1.32 2.58 -0.45 5.97 0.00 0.92 -1.21 121.76 130.89 1i8u s ALA 56 Ca -0.03 -1.45 -0.17 0.00 0.00 0.00 0.00 51.96 50.32 1i8u s ALA 56 Cb -0.19 -1.54 0.05 0.00 0.00 0.00 0.00 23.12 21.44 1i8u s ALA 56 CO -0.01 -0.75 0.43 0.42 0.00 0.00 0.00 175.76 175.85 1i8u s ILE 57 N 1.28 5.14 -0.17 0.00 1.01 -0.25 -0.34 121.20 127.87 1i8u s ILE 57 Ca -0.00 -0.69 -0.13 0.00 0.00 0.00 0.00 60.65 59.83 1i8u s ILE 57 Cb -0.16 -4.09 -0.05 0.00 0.01 0.00 0.00 42.46 38.17 1i8u s ILE 57 CO -0.07 -0.52 0.26 -0.69 0.00 0.00 0.00 174.94 173.92 1i8u s VAL 58 N 1.96 5.33 -0.36 2.92 1.01 0.21 -1.44 120.40 130.03 1i8u s VAL 58 Ca 0.08 0.48 -0.18 0.00 0.00 0.00 0.00 61.98 62.37 1i8u s VAL 58 Cb -0.20 -3.60 -0.00 0.00 0.00 0.00 0.00 36.38 32.57 1i8u s VAL 58 CO 0.10 0.39 0.48 -0.75 0.00 0.00 0.00 175.10 175.33 1i8u s LYS 59 N 0.48 3.56 -0.30 2.72 2.20 -0.26 -1.56 119.74 126.57 1i8u s LYS 59 Ca 0.15 -0.26 -0.00 0.00 -0.36 0.00 0.00 55.97 55.49 1i8u s LYS 59 Cb -0.13 -3.83 0.19 0.00 -1.51 0.00 0.00 37.83 32.56 1i8u s LYS 59 CO 0.03 -0.65 0.61 0.34 -0.36 0.00 0.00 175.35 175.32 1i8u s ASP 60 N 1.77 -1.41 0.49 1.43 -1.08 0.12 -3.20 116.67 114.79 1i8u s ASP 60 Ca 0.17 0.72 0.28 0.00 -0.52 0.00 0.00 52.55 53.21 1i8u s ASP 60 Cb -0.16 2.12 1.05 0.00 -1.46 0.00 0.00 42.92 44.47 1i8u s ASP 60 CO 0.13 -0.26 1.87 1.55 0.52 0.00 0.00 175.17 178.98 1i8u h PRO 61 N 8.00 0.00 -4.20 4.34 0.13 -1.95 -3.15 132.00 135.16 1i8u h PRO 61 Ca -0.18 0.00 -0.58 0.00 -0.87 0.00 0.00 66.00 64.37 1i8u h PRO 61 Cb 1.17 0.00 -0.38 0.00 0.13 0.00 0.00 31.00 31.92 1i8u h PRO 61 CO 0.23 0.10 -0.79 0.08 -0.23 0.00 0.00 178.00 177.39 1i8u s VAL 62 N -3.60 1.25 -0.21 1.56 1.01 -1.26 -4.95 120.40 114.19 1i8u s VAL 62 Ca 0.02 -0.87 -0.12 0.00 0.00 0.00 0.00 61.98 61.00 1i8u s VAL 62 Cb 0.09 -1.48 -0.05 0.00 0.00 0.00 0.00 36.38 34.94 1i8u s VAL 62 CO 0.60 0.01 0.23 -0.76 0.00 0.00 0.00 175.10 175.18 1i8u s LEU 63 N 1.55 4.16 -0.03 3.92 1.43 -1.26 -4.83 118.68 123.61 1i8u s LEU 63 Ca -0.02 0.27 -0.05 0.00 -1.03 0.00 0.00 54.13 53.30 1i8u s LEU 63 Cb -0.17 -2.23 0.01 0.00 0.03 0.00 0.00 46.19 43.83 1i8u s LEU 63 CO -0.07 0.05 0.12 0.21 0.23 0.00 0.00 176.35 176.90 1i8u s ASN 64 N 0.87 -0.07 0.00 2.29 2.47 -1.26 -4.98 114.94 114.26 1i8u s ASN 64 Ca 0.11 0.09 0.18 0.00 0.42 0.00 0.00 52.86 53.66 1i8u s ASN 64 Cb -0.13 0.24 0.30 0.00 -1.45 0.00 0.00 41.25 40.21 1i8u s ASN 64 CO 0.04 -0.15 1.11 2.29 -3.72 0.00 0.00 177.10 176.66 1i8u n LYS 65 N 2.48 0.00 0.16 0.43 2.85 -1.26 -1.32 118.16 121.50 1i8u n LYS 65 Ca -0.16 -1.67 0.01 0.00 -1.05 0.00 0.00 58.31 55.43 1i8u n LYS 65 Cb 0.58 -0.01 0.26 0.00 -0.65 0.00 0.00 35.03 35.21 1i8u n LYS 65 CO 0.00 0.00 0.00 -0.44 -0.05 0.00 0.00 177.40 176.91 1i8u h ASP 66 N 0.70 0.00 -3.56 -5.58 3.32 -1.89 -3.45 116.42 105.96 1i8u h ASP 66 Ca -0.23 0.00 -0.52 0.00 0.02 0.00 0.00 57.03 56.29 1i8u h ASP 66 Cb 1.74 0.00 0.06 0.00 0.22 0.00 0.00 39.33 41.35 1i8u h ASP 66 CO 0.03 0.50 0.70 0.21 -1.72 0.00 0.00 179.24 178.96 1i8u s ASN 67 N -6.86 6.73 0.46 6.45 3.84 -1.26 -4.92 114.94 119.39 1i8u s ASN 67 Ca -0.02 2.64 0.19 0.00 0.21 0.00 0.00 52.86 55.89 1i8u s ASN 67 Cb 0.13 -2.63 1.12 0.00 -0.55 0.00 0.00 41.25 39.32 1i8u s ASN 67 CO 0.74 -0.62 1.99 0.77 -2.79 0.00 0.00 177.10 177.19 1i8u h SER 68 N 4.48 0.00 -3.20 -4.21 4.64 -1.91 -3.42 113.55 109.94 1i8u h SER 68 Ca -0.47 0.00 -0.57 0.00 -0.47 0.00 0.00 61.79 60.28 1i8u h SER 68 Cb 1.22 0.00 -0.05 0.00 -0.31 0.00 0.00 62.40 63.26 1i8u h SER 68 CO 0.73 0.20 0.62 0.20 -0.87 0.00 0.00 176.83 177.71 1i8u s ASN 69 N -6.63 7.14 0.48 4.97 0.01 -1.26 -4.93 114.94 114.72 1i8u s ASN 69 Ca -0.03 1.41 0.17 0.00 -0.71 0.00 0.00 52.86 53.70 1i8u s ASN 69 Cb 0.14 -2.53 1.18 0.00 0.41 0.00 0.00 41.25 40.45 1i8u s ASN 69 CO 0.66 -0.53 2.04 1.55 -1.51 0.00 0.00 177.10 179.32 1i8u h PRO 70 N 7.28 0.19 0.00 -0.60 0.13 -1.97 -0.61 132.00 136.41 1i8u h PRO 70 Ca -0.26 -0.01 0.00 0.00 -0.87 0.00 0.00 66.00 64.86 1i8u h PRO 70 Cb 1.11 -0.04 0.00 0.00 0.13 0.00 0.00 31.00 32.20 1i8u h PRO 70 CO 0.90 0.12 0.00 -2.67 -0.23 0.00 0.00 178.00 176.12 1i8u n TRP 71 N -4.47 0.00 -1.03 1.56 2.14 -1.26 -2.51 117.44 111.87 1i8u n TRP 71 Ca 0.05 0.00 0.05 0.00 2.07 0.00 0.00 57.50 59.67 1i8u n TRP 71 Cb 0.31 -0.43 0.29 0.00 -0.81 0.00 0.00 31.31 30.68 1i8u n TRP 71 CO 0.00 0.00 0.00 0.39 2.07 0.00 0.00 177.69 180.15 1i8u n GLU 72 N -1.43 3.39 -4.25 -2.67 1.02 -0.24 -4.85 120.64 111.60 1i8u n GLU 72 Ca 0.07 -2.99 -0.27 0.00 -0.02 0.00 0.00 57.16 53.95 1i8u n GLU 72 Cb 0.24 -2.00 -0.09 0.00 -0.02 0.00 0.00 31.44 29.57 1i8u n GLU 72 CO 0.00 0.00 0.00 -0.65 1.18 0.00 0.00 177.13 177.66 1i8u s GLN 73 N -2.89 2.17 -0.17 3.49 -0.21 -1.04 -4.42 119.66 116.59 1i8u s GLN 73 Ca 0.47 -1.18 -0.29 0.00 0.02 0.00 0.00 55.36 54.39 1i8u s GLN 73 Cb 0.38 -2.24 -0.05 0.00 1.00 0.00 0.00 33.01 32.10 1i8u s GLN 73 CO 0.10 0.45 1.96 -0.51 -2.12 0.00 0.00 175.29 175.17 1i8u s ASP 74 N -2.74 5.99 0.24 5.90 1.01 -0.43 -4.66 116.67 121.98 1i8u s ASP 74 Ca 0.25 1.96 -0.22 0.00 0.71 0.00 0.00 52.55 55.25 1i8u s ASP 74 Cb -0.09 -2.52 0.03 0.00 1.01 0.00 0.00 42.92 41.35 1i8u s ASP 74 CO 0.16 -1.52 0.80 -0.94 0.21 0.00 0.00 175.17 173.87 1i8u s SER 75 N 6.04 -0.23 -0.03 0.27 1.04 -1.14 -2.66 113.70 117.00 1i8u s SER 75 Ca 0.88 -0.54 0.07 0.00 0.48 0.00 0.00 55.95 56.84 1i8u s SER 75 Cb -0.32 0.65 -0.02 0.00 0.10 0.00 0.00 66.02 66.43 1i8u s SER 75 CO 0.35 -1.20 -0.24 -0.69 0.98 0.00 0.00 173.24 172.44 1i8u s VAL 76 N -3.71 2.25 -0.06 5.02 1.01 -0.42 -0.57 120.40 123.92 1i8u s VAL 76 Ca 0.11 -1.03 0.06 0.00 0.00 0.00 0.00 61.98 61.12 1i8u s VAL 76 Cb -0.04 -1.80 -0.01 0.00 0.00 0.00 0.00 36.38 34.52 1i8u s VAL 76 CO 0.05 0.58 -0.25 -1.61 0.00 0.00 0.00 175.10 173.88 1i8u s GLU 77 N -0.58 2.55 -0.11 2.72 2.02 0.88 -1.81 118.70 124.38 1i8u s GLU 77 Ca 0.09 -0.90 0.03 0.00 0.02 0.00 0.00 54.97 54.21 1i8u s GLU 77 Cb -0.11 -2.17 -0.00 0.00 0.10 0.00 0.00 34.13 31.95 1i8u s GLU 77 CO -0.00 0.39 -0.22 0.42 0.02 0.00 0.00 175.26 175.87 1i8u s ILE 78 N -0.18 2.23 -0.06 -1.63 1.01 0.21 -0.05 121.20 122.73 1i8u s ILE 78 Ca -0.03 -0.96 0.03 0.00 0.00 0.00 0.00 60.65 59.70 1i8u s ILE 78 Cb -0.14 -1.87 -0.02 0.00 0.01 0.00 0.00 42.46 40.44 1i8u s ILE 78 CO 0.04 0.55 -0.14 -0.36 0.00 0.00 0.00 174.94 175.03 1i8u s PHE 79 N 0.37 2.71 -0.02 3.97 0.40 0.31 -1.11 117.98 124.62 1i8u s PHE 79 Ca -0.17 -0.22 0.03 0.00 -0.60 0.00 0.00 56.93 55.97 1i8u s PHE 79 Cb -0.17 -1.66 -0.00 0.00 0.51 0.00 0.00 43.02 41.70 1i8u s PHE 79 CO 0.08 0.14 -0.09 0.42 0.70 0.00 0.00 175.22 176.46 1i8u s ILE 80 N -0.59 0.78 -0.42 0.64 -1.09 -0.41 -2.49 121.20 117.61 1i8u s ILE 80 Ca 0.09 -0.38 0.02 0.00 -2.23 0.00 0.00 60.65 58.14 1i8u s ILE 80 Cb -0.11 -0.67 0.13 0.00 -1.58 0.00 0.00 42.46 40.23 1i8u s ILE 80 CO 0.01 0.23 0.22 -0.62 -1.23 0.00 0.00 174.94 173.56 1i8u s ASP 81 N 0.00 3.61 0.26 3.58 -1.08 -0.25 -1.26 116.67 121.52 1i8u s ASP 81 Ca 0.00 -2.50 -0.05 0.00 -0.52 0.00 0.00 52.55 49.48 1i8u s ASP 81 Cb -0.06 -0.96 0.29 0.00 -1.46 0.00 0.00 42.92 40.73 1i8u s ASP 81 CO 0.00 -0.28 1.93 -0.33 0.52 0.00 0.00 175.17 177.00 1i8u h GLU 82 N 6.87 1.29 -0.23 4.34 5.08 -1.83 0.30 114.58 130.40 1i8u h GLU 82 Ca -0.01 -0.08 0.00 0.00 -1.00 0.00 0.00 59.36 58.27 1i8u h GLU 82 Cb 0.94 -0.29 0.00 0.00 0.50 0.00 0.00 28.75 29.90 1i8u h GLU 82 CO 0.46 0.85 0.00 0.27 -1.00 0.00 0.00 179.01 179.59 1i8u n ASN 83 N -4.40 2.34 -4.28 1.42 0.23 -1.26 -4.69 115.26 104.62 1i8u n ASN 83 Ca 0.12 -1.82 -0.37 0.00 -0.53 0.00 0.00 54.58 51.98 1i8u n ASN 83 Cb 0.04 -0.15 -0.04 0.00 -2.08 0.00 0.00 39.78 37.55 1i8u n ASN 83 CO 0.00 0.00 0.00 -3.20 -0.93 0.00 0.00 177.26 173.13 1i8u n ASN 84 N 0.77 -2.71 0.22 0.53 5.15 -0.90 -4.84 115.26 113.48 1i8u n ASN 84 Ca 0.17 -1.07 0.15 0.00 -0.60 0.00 0.00 54.58 53.23 1i8u n ASN 84 Cb 0.44 -2.49 0.55 0.00 -0.53 0.00 0.00 39.78 37.74 1i8u n ASN 84 CO 0.00 0.00 0.00 0.45 1.40 0.00 0.00 177.26 179.11 1i8u h HIS 85 N -1.39 0.00 -6.08 1.20 3.86 -1.93 -3.47 115.15 107.34 1i8u h HIS 85 Ca -0.60 0.00 -0.42 0.00 -1.16 0.00 0.00 60.37 58.19 1i8u h HIS 85 Cb 1.38 0.00 0.05 0.00 1.06 0.00 0.00 27.41 29.90 1i8u h HIS 85 CO 0.64 0.00 -0.79 1.63 0.86 0.00 0.00 177.93 180.27 1i8u n LYS 86 N -2.84 -5.55 -1.53 2.45 4.76 -1.26 -4.97 118.16 109.21 1i8u n LYS 86 Ca 0.02 0.66 -0.29 0.00 -2.87 0.00 0.00 58.31 55.82 1i8u n LYS 86 Cb 0.33 -5.40 0.12 0.00 -1.84 0.00 0.00 35.03 28.23 1i8u n LYS 86 CO 0.00 0.00 0.00 0.95 -1.37 0.00 0.00 177.40 176.98 1i8u s THR 87 N -3.50 2.38 -2.37 -0.18 -4.23 -1.26 -4.06 115.64 102.42 1i8u s THR 87 Ca 0.24 0.12 0.22 0.00 -1.18 0.00 0.00 61.69 61.10 1i8u s THR 87 Cb -0.12 -2.86 0.46 0.00 1.34 0.00 0.00 72.50 71.31 1i8u s THR 87 CO 0.80 -0.16 1.55 0.61 -0.54 0.00 0.00 174.62 176.88 1i8u n GLY 88 N -2.14 0.43 3.41 3.99 0.00 -1.26 -0.58 105.19 109.04 1i8u n GLY 88 Ca 0.07 -0.47 -0.10 0.00 0.00 0.00 0.00 46.02 45.52 1i8u n GLY 88 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1i8u s TYR 89 N -1.80 0.28 -0.03 1.61 -0.85 -1.25 -4.41 117.35 110.90 1i8u s TYR 89 Ca 0.34 -0.64 -0.30 0.00 -0.52 0.00 0.00 57.07 55.95 1i8u s TYR 89 Cb 0.19 0.07 -0.03 0.00 0.38 0.00 0.00 41.96 42.57 1i8u s TYR 89 CO 0.28 -0.80 1.03 0.71 -1.52 0.00 0.00 175.55 175.25 1i8u s TYR 90 N -3.96 3.56 0.65 -3.49 1.51 -1.26 -4.55 117.35 109.81 1i8u s TYR 90 Ca 0.16 1.59 0.01 0.00 -1.01 0.00 0.00 57.07 57.83 1i8u s TYR 90 Cb 0.02 -3.19 0.09 0.00 -0.11 0.00 0.00 41.96 38.77 1i8u s TYR 90 CO 0.01 -0.29 0.90 -1.21 -1.11 0.00 0.00 175.55 173.84 1i8u s GLU 91 N 1.43 2.02 0.53 -0.62 2.02 -1.26 -4.95 118.70 117.87 1i8u s GLU 91 Ca 0.52 -1.07 0.22 0.00 0.02 0.00 0.00 54.97 54.66 1i8u s GLU 91 Cb -0.21 -2.42 1.35 0.00 0.10 0.00 0.00 34.13 32.96 1i8u s GLU 91 CO 0.24 -1.15 2.06 -0.44 0.02 0.00 0.00 175.26 175.99 1i8u h ASP 92 N -0.26 0.00 0.57 -0.19 3.32 -2.03 -1.75 116.42 116.08 1i8u h ASP 92 Ca -0.37 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.68 1i8u h ASP 92 Cb 1.28 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.83 1i8u h ASP 92 CO 0.44 0.00 -0.26 -0.90 -1.72 0.00 0.00 179.24 176.80 1i8u n ASP 93 N -4.43 0.42 -4.85 6.45 5.68 -1.26 -4.90 116.55 113.67 1i8u n ASP 93 Ca 0.05 -0.20 -0.33 0.00 -0.50 0.00 0.00 54.79 53.81 1i8u n ASP 93 Cb 0.41 -0.02 -0.06 0.00 -1.14 0.00 0.00 41.12 40.30 1i8u n ASP 93 CO 0.00 0.00 0.00 -1.81 -1.33 0.00 0.00 177.20 174.06 1i8u s ASP 94 N -2.83 6.81 0.02 -1.12 1.01 -0.66 -3.78 116.67 116.12 1i8u s ASP 94 Ca 0.17 1.23 -0.22 0.00 0.71 0.00 0.00 52.55 54.44 1i8u s ASP 94 Cb 0.19 -2.35 0.05 0.00 1.01 0.00 0.00 42.92 41.82 1i8u s ASP 94 CO 0.59 -0.11 0.51 0.00 0.21 0.00 0.00 175.17 176.37 1i8u s ALA 95 N -1.82 -1.30 -0.11 5.23 0.00 -0.39 -4.04 121.76 119.33 1i8u s ALA 95 Ca 0.49 0.66 0.01 0.00 0.00 0.00 0.00 51.96 53.12 1i8u s ALA 95 Cb -0.12 0.27 0.02 0.00 0.00 0.00 0.00 23.12 23.29 1i8u s ALA 95 CO 0.19 -0.44 -0.11 -1.14 0.00 0.00 0.00 175.76 174.25 1i8u s GLN 96 N -2.09 1.84 0.10 0.00 0.74 -0.62 -1.29 119.66 118.34 1i8u s GLN 96 Ca -0.07 -0.41 0.10 0.00 0.05 0.00 0.00 55.36 55.02 1i8u s GLN 96 Cb -0.01 -1.69 -0.04 0.00 1.10 0.00 0.00 33.01 32.37 1i8u s GLN 96 CO 0.01 -0.14 -0.23 -0.06 -0.55 0.00 0.00 175.29 174.31 1i8u s PHE 97 N 1.25 2.41 -0.00 1.67 0.40 -0.27 -1.52 117.98 121.92 1i8u s PHE 97 Ca -0.02 -0.34 -0.02 0.00 -0.60 0.00 0.00 56.93 55.95 1i8u s PHE 97 Cb -0.14 -1.33 -0.00 0.00 0.51 0.00 0.00 43.02 42.06 1i8u s PHE 97 CO -0.04 0.30 0.03 0.50 0.70 0.00 0.00 175.22 176.71 1i8u s ARG 98 N -1.83 0.16 -0.12 0.44 3.52 -0.70 -0.62 118.95 119.80 1i8u s ARG 98 Ca 0.15 -0.17 -0.08 0.00 -0.13 0.00 0.00 55.73 55.50 1i8u s ARG 98 Cb -0.10 0.07 0.04 0.00 -1.56 0.00 0.00 34.95 33.40 1i8u s ARG 98 CO 0.06 -0.03 0.29 0.54 -0.81 0.00 0.00 175.30 175.36 1i8u s VAL 99 N -0.52 -0.02 0.68 7.11 0.11 -0.75 -1.05 120.40 125.96 1i8u s VAL 99 Ca -0.06 0.08 0.03 0.00 -2.93 0.00 0.00 61.98 59.10 1i8u s VAL 99 Cb -0.04 -0.44 0.12 0.00 -1.53 0.00 0.00 36.38 34.50 1i8u s VAL 99 CO -0.00 0.03 0.94 0.54 -3.33 0.00 0.00 175.10 173.29 1i8u s ASN 100 N 0.87 4.52 0.05 3.54 2.20 -0.87 -1.30 114.94 123.95 1i8u s ASN 100 Ca -0.06 -0.57 0.08 0.00 -0.94 0.00 0.00 52.86 51.37 1i8u s ASN 100 Cb -0.07 0.18 0.37 0.00 -2.00 0.00 0.00 41.25 39.74 1i8u s ASN 100 CO -0.06 -1.75 1.26 0.00 -2.94 0.00 0.00 177.10 173.61 1i8u n TYR 101 N -2.67 0.12 -0.31 1.54 0.18 -1.09 -0.82 117.16 114.10 1i8u n TYR 101 Ca 0.16 0.06 0.12 0.00 1.88 0.00 0.00 57.90 60.11 1i8u n TYR 101 Cb 0.61 -0.59 0.32 0.00 -0.38 0.00 0.00 39.34 39.30 1i8u n TYR 101 CO 0.00 0.00 0.00 -1.33 -2.08 0.00 0.00 176.86 173.45 1i8u n MET 102 N -1.62 2.70 -2.47 -3.48 2.81 -1.26 -4.87 117.12 108.95 1i8u n MET 102 Ca 0.01 -2.64 -0.16 0.00 -1.81 0.00 0.00 57.70 53.09 1i8u n MET 102 Cb 0.07 -1.57 0.00 0.00 -0.71 0.00 0.00 33.22 31.01 1i8u n MET 102 CO 0.00 0.00 0.00 -1.71 1.51 0.00 0.00 175.97 175.77 1i8u n ASN 103 N 1.66 -4.88 -4.64 7.83 5.15 -0.00 -5.00 115.26 115.39 1i8u n ASN 103 Ca 0.24 -0.08 -0.38 0.00 -0.60 0.00 0.00 54.58 53.77 1i8u n ASN 103 Cb 0.63 -3.92 -0.09 0.00 -0.53 0.00 0.00 39.78 35.87 1i8u n ASN 103 CO 0.00 0.00 0.00 -1.61 1.40 0.00 0.00 177.26 177.05 1i8u s GLU 104 N -4.99 4.07 0.09 1.20 2.02 -1.26 -4.87 118.70 114.97 1i8u s GLU 104 Ca 0.07 -0.06 -0.10 0.00 0.02 0.00 0.00 54.97 54.90 1i8u s GLU 104 Cb -0.03 -3.58 -0.06 0.00 0.10 0.00 0.00 34.13 30.56 1i8u s GLU 104 CO 0.09 -0.09 0.42 -0.65 0.02 0.00 0.00 175.26 175.05 1i8u s GLN 105 N 1.48 3.79 0.11 1.61 -0.21 -1.26 -2.05 119.66 123.13 1i8u s GLN 105 Ca 0.13 0.21 -0.00 0.00 0.02 0.00 0.00 55.36 55.72 1i8u s GLN 105 Cb -0.15 -2.99 -0.04 0.00 1.00 0.00 0.00 33.01 30.83 1i8u s GLN 105 CO 0.08 0.55 0.01 0.95 -2.12 0.00 0.00 175.29 174.76 1i8u s THR 106 N -1.41 0.29 0.02 -0.19 -4.23 -0.22 -4.99 115.64 104.92 1i8u s THR 106 Ca 0.34 -1.90 0.01 0.00 -1.18 0.00 0.00 61.69 58.96 1i8u s THR 106 Cb -0.14 -1.89 -0.02 0.00 1.34 0.00 0.00 72.50 71.79 1i8u s THR 106 CO 0.18 -0.64 -0.05 -0.36 -0.54 0.00 0.00 174.62 173.21 1i8u s PHE 107 N -3.90 0.43 0.00 3.99 0.40 -1.26 -1.72 117.98 115.92 1i8u s PHE 107 Ca 0.19 -0.34 0.00 0.00 -0.60 0.00 0.00 56.93 56.18 1i8u s PHE 107 Cb 0.07 -0.27 0.00 0.00 0.51 0.00 0.00 43.02 43.33 1i8u s PHE 107 CO -0.01 -0.08 0.00 0.41 0.70 0.00 0.00 175.22 176.24 1i8u n GLY 108 N 2.07 2.91 3.73 4.36 0.00 -0.57 -4.93 105.19 112.76 1i8u n GLY 108 Ca -0.19 -2.05 -0.42 0.00 0.00 0.00 0.00 46.02 43.36 1i8u n GLY 108 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1i8u n THR 109 N -0.06 1.34 0.00 2.61 -1.04 -1.26 -2.21 114.28 113.65 1i8u n THR 109 Ca 0.00 -0.33 0.00 0.00 -2.04 0.00 0.00 64.05 61.68 1i8u n THR 109 Cb 0.00 -1.84 0.00 0.00 -1.82 0.00 0.00 70.33 66.67 1i8u n THR 109 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1i8u n GLY 110 N 1.62 2.70 3.82 3.41 0.00 -1.26 -1.60 105.19 113.89 1i8u n GLY 110 Ca 0.07 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.76 1i8u n GLY 110 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1i8u s GLY 111 N -1.44 2.38 -0.17 -0.02 0.00 -0.94 -4.69 107.32 102.43 1i8u s GLY 111 Ca 0.00 0.40 -0.15 0.00 0.00 0.00 0.00 44.72 44.97 1i8u s GLY 111 CO 0.00 0.68 0.45 -0.45 0.00 0.00 0.00 173.10 173.78 1i8u s SER 112 N -2.23 -0.49 0.60 1.64 0.15 -1.26 -4.78 113.70 107.34 1i8u s SER 112 Ca 0.62 0.92 0.38 0.00 0.70 0.00 0.00 55.95 58.57 1i8u s SER 112 Cb -0.10 0.91 1.86 0.00 -1.71 0.00 0.00 66.02 66.98 1i8u s SER 112 CO 0.15 -0.16 2.17 1.55 1.20 0.00 0.00 173.24 178.15 1i8u h PRO 113 N 5.68 0.00 0.00 5.44 0.13 -1.97 -0.89 132.00 140.39 1i8u h PRO 113 Ca -0.28 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.85 1i8u h PRO 113 Cb 1.18 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.31 1i8u h PRO 113 CO 0.23 0.02 0.00 0.00 -0.23 0.00 0.00 178.00 178.02 1i8u h ALA 114 N 1.98 1.00 0.00 -0.56 0.00 -2.02 -2.93 119.26 116.73 1i8u h ALA 114 Ca -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.91 1i8u h ALA 114 Cb 0.26 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.04 1i8u h ALA 114 CO 0.00 0.00 -0.12 0.54 0.00 0.00 0.00 179.25 179.67 1i8u n ARG 115 N -2.39 1.08 -3.77 0.00 1.74 -0.36 -4.94 116.66 108.02 1i8u n ARG 115 Ca 0.02 -2.36 -0.25 0.00 -0.77 0.00 0.00 57.85 54.49 1i8u n ARG 115 Cb 0.25 -1.33 -0.17 0.00 -1.02 0.00 0.00 32.46 30.19 1i8u n ARG 115 CO 0.00 0.00 0.00 0.12 -1.52 0.00 0.00 177.63 176.23 1i8u s PHE 116 N -2.41 0.88 -0.13 -1.55 5.36 -1.10 -1.15 117.98 117.89 1i8u s PHE 116 Ca 0.27 -0.46 0.02 0.00 -0.96 0.00 0.00 56.93 55.81 1i8u s PHE 116 Cb 0.24 -0.92 0.01 0.00 -0.34 0.00 0.00 43.02 42.01 1i8u s PHE 116 CO 0.02 -0.44 -0.20 0.21 -1.46 0.00 0.00 175.22 173.35 1i8u s LYS 117 N 1.91 2.76 0.07 10.12 2.20 -0.67 -4.87 119.74 131.24 1i8u s LYS 117 Ca 0.03 -0.76 0.01 0.00 -0.36 0.00 0.00 55.97 54.89 1i8u s LYS 117 Cb -0.14 -2.24 -0.04 0.00 -1.51 0.00 0.00 37.83 33.91 1i8u s LYS 117 CO -0.06 -0.01 -0.05 0.95 -0.36 0.00 0.00 175.35 175.81 1i8u s THR 118 N 0.82 0.46 -0.08 3.43 -4.23 -1.26 -0.87 115.64 113.91 1i8u s THR 118 Ca -0.08 -1.72 -0.07 0.00 -1.18 0.00 0.00 61.69 58.65 1i8u s THR 118 Cb -0.16 -1.40 0.03 0.00 1.34 0.00 0.00 72.50 72.32 1i8u s THR 118 CO -0.01 -0.84 0.21 0.00 -0.54 0.00 0.00 174.62 173.45 1i8u s ALA 119 N -3.31 -0.52 -0.04 3.99 0.00 -0.63 -4.96 121.76 116.29 1i8u s ALA 119 Ca 0.06 0.68 0.04 0.00 0.00 0.00 0.00 51.96 52.73 1i8u s ALA 119 Cb 0.03 -0.41 -0.00 0.00 0.00 0.00 0.00 23.12 22.74 1i8u s ALA 119 CO -0.06 -0.12 -0.16 0.08 0.00 0.00 0.00 175.76 175.51 1i8u s VAL 120 N 0.39 1.29 -0.10 0.00 1.01 -1.26 -1.48 120.40 120.26 1i8u s VAL 120 Ca -0.02 -0.65 0.00 0.00 0.00 0.00 0.00 61.98 61.32 1i8u s VAL 120 Cb -0.04 -1.11 0.02 0.00 0.00 0.00 0.00 36.38 35.25 1i8u s VAL 120 CO -0.02 0.38 -0.09 -0.75 0.00 0.00 0.00 175.10 174.62 1i8u s LYS 121 N 0.02 1.57 0.47 2.72 2.20 -0.51 -4.92 119.74 121.28 1i8u s LYS 121 Ca -0.02 -0.30 -0.21 0.00 -0.36 0.00 0.00 55.97 55.07 1i8u s LYS 121 Cb -0.10 -1.51 -0.09 0.00 -1.51 0.00 0.00 37.83 34.62 1i8u s LYS 121 CO 0.01 -0.17 1.03 -0.51 -0.36 0.00 0.00 175.35 175.36 1i8u s LEU 122 N 1.34 3.90 0.23 5.43 1.43 -1.26 -0.16 118.68 129.59 1i8u s LEU 122 Ca -0.02 1.93 -0.01 0.00 -1.03 0.00 0.00 54.13 55.00 1i8u s LEU 122 Cb -0.14 -4.50 -0.03 0.00 0.03 0.00 0.00 46.19 41.55 1i8u s LEU 122 CO -0.04 -0.70 0.20 0.27 0.23 0.00 0.00 176.35 176.31 1i8u s ILE 123 N -1.95 0.00 0.01 -0.59 -4.36 -0.24 -4.86 121.20 109.22 1i8u s ILE 123 Ca 0.65 -1.93 -0.30 0.00 -0.26 0.00 0.00 60.65 58.82 1i8u s ILE 123 Cb -0.17 -2.48 -0.08 0.00 1.25 0.00 0.00 42.46 40.99 1i8u s ILE 123 CO 0.20 0.00 1.89 -0.70 0.24 0.00 0.00 174.94 176.57 1i8u s GLU 124 N -3.97 4.15 -0.01 0.37 2.12 -1.26 -1.98 118.70 118.12 1i8u s GLU 124 Ca 0.37 2.50 0.00 0.00 0.36 0.00 0.00 54.97 58.21 1i8u s GLU 124 Cb 0.05 -4.12 0.00 0.00 0.26 0.00 0.00 34.13 30.32 1i8u s GLU 124 CO 0.15 -0.93 0.00 0.41 -0.54 0.00 0.00 175.26 174.35 1i8u n GLY 125 N 4.44 0.47 0.00 -1.50 0.00 -1.26 -4.92 105.19 102.42 1i8u n GLY 125 Ca 0.19 -0.32 0.00 0.00 0.00 0.00 0.00 46.02 45.89 1i8u n GLY 125 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1i8u n GLY 126 N -2.95 -0.58 3.32 -0.02 0.00 -0.84 0.15 105.19 104.26 1i8u n GLY 126 Ca -0.00 -0.64 -0.13 0.00 0.00 0.00 0.00 46.02 45.24 1i8u n GLY 126 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1i8u s TYR 127 N -3.96 -0.26 -0.18 1.61 -0.85 -0.60 -1.08 117.35 112.03 1i8u s TYR 127 Ca 0.00 0.28 -0.05 0.00 -0.52 0.00 0.00 57.07 56.77 1i8u s TYR 127 Cb 0.00 0.20 -0.03 0.00 0.38 0.00 0.00 41.96 42.51 1i8u s TYR 127 CO 0.00 -0.54 0.00 0.42 -1.52 0.00 0.00 175.55 173.92 1i8u s ILE 128 N -2.18 4.09 -0.16 -3.49 1.01 0.77 -0.62 121.20 120.62 1i8u s ILE 128 Ca -0.07 -0.28 -0.03 0.00 0.00 0.00 0.00 60.65 60.27 1i8u s ILE 128 Cb -0.02 -2.83 -0.02 0.00 0.01 0.00 0.00 42.46 39.60 1i8u s ILE 128 CO -0.00 0.45 -0.05 -0.69 0.00 0.00 0.00 174.94 174.65 1i8u s VAL 129 N 0.71 3.75 -0.12 2.92 1.01 0.54 -1.43 120.40 127.79 1i8u s VAL 129 Ca 0.00 -0.40 0.01 0.00 0.00 0.00 0.00 61.98 61.58 1i8u s VAL 129 Cb -0.14 -2.64 0.02 0.00 0.00 0.00 0.00 36.38 33.62 1i8u s VAL 129 CO 0.02 0.49 -0.11 -0.70 0.00 0.00 0.00 175.10 174.80 1i8u s GLU 130 N 0.45 1.90 0.10 2.72 2.12 -0.55 -0.05 118.70 125.38 1i8u s GLU 130 Ca -0.04 -0.42 0.03 0.00 0.36 0.00 0.00 54.97 54.90 1i8u s GLU 130 Cb -0.14 -1.77 -0.04 0.00 0.26 0.00 0.00 34.13 32.44 1i8u s GLU 130 CO 0.03 -0.18 -0.08 0.00 -0.54 0.00 0.00 175.26 174.49 1i8u s ALA 131 N 1.38 1.03 -0.08 6.30 0.00 0.23 -1.60 121.76 129.02 1i8u s ALA 131 Ca 0.00 -1.27 0.01 0.00 0.00 0.00 0.00 51.96 50.70 1i8u s ALA 131 Cb -0.13 0.10 0.02 0.00 0.00 0.00 0.00 23.12 23.11 1i8u s ALA 131 CO -0.06 -0.14 -0.08 0.00 0.00 0.00 0.00 175.76 175.47 1i8u s ALA 132 N -3.06 1.16 -0.21 0.00 0.00 -0.05 -0.85 121.76 118.75 1i8u s ALA 132 Ca 0.09 -0.39 -0.01 0.00 0.00 0.00 0.00 51.96 51.64 1i8u s ALA 132 Cb 0.01 -0.69 0.01 0.00 0.00 0.00 0.00 23.12 22.45 1i8u s ALA 132 CO -0.02 -0.15 -0.11 0.42 0.00 0.00 0.00 175.76 175.90 1i8u s ILE 133 N 1.20 2.76 0.05 0.00 1.01 0.72 -1.68 121.20 125.27 1i8u s ILE 133 Ca -0.05 -0.77 -0.30 0.00 0.00 0.00 0.00 60.65 59.52 1i8u s ILE 133 Cb -0.14 -2.26 -0.05 0.00 0.01 0.00 0.00 42.46 40.02 1i8u s ILE 133 CO -0.02 0.42 1.14 -0.75 0.00 0.00 0.00 174.94 175.73 1i8u s LYS 134 N 1.37 4.47 0.45 2.79 2.20 -0.30 -0.40 119.74 130.32 1i8u s LYS 134 Ca 0.04 1.68 -0.25 0.00 -0.36 0.00 0.00 55.97 57.08 1i8u s LYS 134 Cb -0.14 -3.37 -0.08 0.00 -1.51 0.00 0.00 37.83 32.72 1i8u s LYS 134 CO -0.07 -0.19 1.45 -1.58 -0.36 0.00 0.00 175.35 174.59 1i8u s TRP 135 N 0.99 2.43 -0.20 4.03 0.52 -0.62 -4.91 118.94 121.17 1i8u s TRP 135 Ca 0.57 1.24 0.00 0.00 0.02 0.00 0.00 56.10 57.93 1i8u s TRP 135 Cb -0.27 -3.96 -0.13 0.00 -1.15 0.00 0.00 33.47 27.96 1i8u s TRP 135 CO 0.29 -3.04 -0.19 1.17 0.02 0.00 0.00 176.95 175.20 1i8u n LYS 136 N -0.18 0.50 0.00 4.98 4.81 -1.26 -4.79 118.16 122.22 1i8u n LYS 136 Ca 0.05 0.12 0.00 0.00 -0.87 0.00 0.00 58.31 57.61 1i8u n LYS 136 Cb 0.41 -1.39 0.00 0.00 0.02 0.00 0.00 35.03 34.08 1i8u n LYS 136 CO 0.00 0.00 0.00 0.25 1.17 0.00 0.00 177.40 178.82 1i8u n THR 137 N -3.18 0.00 -4.23 3.15 -2.24 -1.26 -5.08 114.28 101.44 1i8u n THR 137 Ca -0.36 -0.46 -0.15 0.00 -2.27 0.00 0.00 64.05 60.81 1i8u n THR 137 Cb 0.87 1.06 -0.10 0.00 -2.10 0.00 0.00 70.33 70.06 1i8u n THR 137 CO 0.00 0.00 0.00 0.27 -0.57 0.00 0.00 175.07 174.77 1i8u s ILE 138 N -0.21 1.15 -0.64 2.28 -4.36 -1.26 -5.07 121.20 113.09 1i8u s ILE 138 Ca 0.00 -1.89 0.05 0.00 -0.26 0.00 0.00 60.65 58.55 1i8u s ILE 138 Cb 0.00 -1.67 0.18 0.00 1.25 0.00 0.00 42.46 42.23 1i8u s ILE 138 CO 0.00 -0.64 0.51 0.29 0.24 0.00 0.00 174.94 175.34 1i8u n LYS 139 N 0.13 1.63 -1.50 0.37 4.01 -1.26 -4.81 118.16 116.73 1i8u n LYS 139 Ca -0.13 -4.26 -0.40 0.00 -0.51 0.00 0.00 58.31 53.01 1i8u n LYS 139 Cb 0.59 -2.15 0.02 0.00 -0.51 0.00 0.00 35.03 32.99 1i8u n LYS 139 CO 0.00 0.00 0.00 -0.35 -1.11 0.00 0.00 177.40 175.94 1i8u n PRO 140 N 1.92 0.71 -4.28 1.97 -0.04 -1.26 -5.06 135.00 128.96 1i8u n PRO 140 Ca 0.23 0.27 -0.15 0.00 -0.04 0.00 0.00 63.50 63.80 1i8u n PRO 140 Cb 0.39 -1.73 -0.10 0.00 -0.04 0.00 0.00 33.50 32.01 1i8u n PRO 140 CO 0.00 0.00 0.00 0.95 -0.04 0.00 0.00 175.50 176.41 1i8u s THR 141 N -1.54 1.01 0.23 0.52 -4.23 -1.26 -4.73 115.64 105.64 1i8u s THR 141 Ca 0.66 -2.03 -0.31 0.00 -1.18 0.00 0.00 61.69 58.83 1i8u s THR 141 Cb -0.51 -2.11 -0.14 0.00 1.34 0.00 0.00 72.50 71.07 1i8u s THR 141 CO 0.55 -0.51 1.26 -2.65 -0.54 0.00 0.00 174.62 172.73 1i8u n PRO 142 N -0.30 1.63 -0.93 3.99 -0.02 -1.26 -1.86 135.00 136.24 1i8u n PRO 142 Ca -0.07 0.58 0.00 0.00 -2.02 0.00 0.00 63.50 61.98 1i8u n PRO 142 Cb 0.62 -2.13 0.00 0.00 -0.02 0.00 0.00 33.50 31.97 1i8u n PRO 142 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 1i8u n ASN 143 N 1.89 -2.18 -4.78 2.55 3.02 0.23 -5.00 115.26 111.00 1i8u n ASN 143 Ca 0.12 0.00 -0.37 0.00 -0.03 0.00 0.00 54.58 54.30 1i8u n ASN 143 Cb 0.29 -0.36 -0.03 0.00 -0.61 0.00 0.00 39.78 39.07 1i8u n ASN 143 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 1i8u s THR 144 N -2.41 3.41 -0.10 3.41 2.01 -0.78 -4.76 115.64 116.42 1i8u s THR 144 Ca 0.00 1.09 0.02 0.00 0.31 0.00 0.00 61.69 63.11 1i8u s THR 144 Cb 0.00 -3.57 0.01 0.00 0.01 0.00 0.00 72.50 68.95 1i8u s THR 144 CO 0.00 0.02 -0.15 -0.69 -0.69 0.00 0.00 174.62 173.11 1i8u s VAL 145 N -1.57 1.45 0.39 3.82 1.01 -1.26 -0.60 120.40 123.65 1i8u s VAL 145 Ca 0.59 -0.63 0.08 0.00 0.00 0.00 0.00 61.98 62.02 1i8u s VAL 145 Cb -0.26 -1.32 -0.07 0.00 0.00 0.00 0.00 36.38 34.73 1i8u s VAL 145 CO 0.32 0.43 0.06 0.27 0.00 0.00 0.00 175.10 176.18 1i8u s ILE 146 N 0.87 2.23 0.09 2.22 -4.36 -0.67 -4.48 121.20 117.09 1i8u s ILE 146 Ca -0.09 -1.91 -0.21 0.00 -0.26 0.00 0.00 60.65 58.18 1i8u s ILE 146 Cb -0.15 -2.94 -0.07 0.00 1.25 0.00 0.00 42.46 40.55 1i8u s ILE 146 CO 0.00 -0.05 0.63 -0.83 0.24 0.00 0.00 174.94 174.94 1i8u s GLY 147 N -3.77 2.74 -0.07 6.27 0.00 0.10 -1.29 107.32 111.29 1i8u s GLY 147 Ca 0.37 0.13 -0.19 0.00 0.00 0.00 0.00 44.72 45.02 1i8u s GLY 147 CO 0.20 0.61 0.45 -0.12 0.00 0.00 0.00 173.10 174.24 1i8u s PHE 148 N -1.01 -0.40 0.06 1.90 5.36 -0.39 -1.09 117.98 122.41 1i8u s PHE 148 Ca 0.31 0.79 -0.27 0.00 -0.96 0.00 0.00 56.93 56.81 1i8u s PHE 148 Cb -0.20 0.20 0.07 0.00 -0.34 0.00 0.00 43.02 42.75 1i8u s PHE 148 CO 0.21 -0.40 0.65 1.21 -1.46 0.00 0.00 175.22 175.43 1i8u s ASN 149 N -0.81 -0.60 -0.02 6.13 2.47 -1.04 -0.09 114.94 120.97 1i8u s ASN 149 Ca -0.09 0.30 -0.00 0.00 0.42 0.00 0.00 52.86 53.49 1i8u s ASN 149 Cb -0.03 0.56 0.03 0.00 -1.45 0.00 0.00 41.25 40.36 1i8u s ASN 149 CO 0.05 -0.80 0.03 -0.51 -3.72 0.00 0.00 177.10 172.15 1i8u s ILE 150 N -2.64 -0.04 0.02 -5.21 2.07 -1.26 -0.53 121.20 113.60 1i8u s ILE 150 Ca -0.04 0.22 0.08 0.00 -1.41 0.00 0.00 60.65 59.51 1i8u s ILE 150 Cb -0.01 -0.10 -0.03 0.00 0.13 0.00 0.00 42.46 42.46 1i8u s ILE 150 CO -0.03 0.10 -0.25 -1.58 -1.91 0.00 0.00 174.94 171.27 1i8u s GLN 151 N 1.13 1.97 -0.18 3.50 0.74 0.93 -1.94 119.66 125.81 1i8u s GLN 151 Ca -0.08 -1.01 -0.01 0.00 0.05 0.00 0.00 55.36 54.30 1i8u s GLN 151 Cb -0.13 -2.05 0.00 0.00 1.10 0.00 0.00 33.01 31.94 1i8u s GLN 151 CO -0.03 0.54 -0.12 0.08 -0.55 0.00 0.00 175.29 175.20 1i8u s VAL 152 N -0.75 2.78 -0.08 1.34 1.01 0.36 -0.09 120.40 124.98 1i8u s VAL 152 Ca 0.11 -0.71 -0.13 0.00 0.00 0.00 0.00 61.98 61.26 1i8u s VAL 152 Cb -0.10 -2.21 -0.05 0.00 0.00 0.00 0.00 36.38 34.02 1i8u s VAL 152 CO 0.01 0.49 0.32 0.20 0.00 0.00 0.00 175.10 176.12 1i8u s ASN 153 N 1.16 6.60 -0.21 3.32 0.01 0.26 -2.39 114.94 123.69 1i8u s ASN 153 Ca 0.01 0.71 0.01 0.00 -0.71 0.00 0.00 52.86 52.89 1i8u s ASN 153 Cb -0.14 -2.19 0.04 0.00 0.41 0.00 0.00 41.25 39.36 1i8u s ASN 153 CO -0.05 0.25 -0.13 -0.62 -1.51 0.00 0.00 177.10 175.04 1i8u s ASP 154 N -0.48 3.61 0.02 -1.22 2.15 0.09 -2.87 116.67 117.96 1i8u s ASP 154 Ca 0.20 -0.96 0.03 0.00 0.43 0.00 0.00 52.55 52.25 1i8u s ASP 154 Cb -0.14 -1.39 -0.04 0.00 -0.30 0.00 0.00 42.92 41.05 1i8u s ASP 154 CO 0.08 -0.12 -0.03 0.00 -0.17 0.00 0.00 175.17 174.94 1i8u s ALA 155 N 1.28 3.16 0.60 3.66 0.00 -1.26 0.23 121.76 129.44 1i8u s ALA 155 Ca -0.02 -1.01 0.01 0.00 0.00 0.00 0.00 51.96 50.94 1i8u s ALA 155 Cb -0.16 -1.22 0.10 0.00 0.00 0.00 0.00 23.12 21.84 1i8u s ALA 155 CO -0.09 0.64 0.69 0.27 0.00 0.00 0.00 175.76 177.27 1i8u n ASN 156 N 1.33 1.03 0.11 0.00 0.23 -0.37 -4.48 115.26 113.11 1i8u n ASN 156 Ca -0.14 -1.84 0.09 0.00 -0.53 0.00 0.00 54.58 52.15 1i8u n ASN 156 Cb 0.52 -0.43 0.43 0.00 -2.08 0.00 0.00 39.78 38.22 1i8u n ASN 156 CO 0.00 0.00 0.00 -1.84 -0.93 0.00 0.00 177.26 174.49 1i8u n GLU 157 N -2.25 0.11 -0.18 -3.83 0.00 -1.26 -1.42 120.64 111.82 1i8u n GLU 157 Ca 0.12 0.55 0.11 0.00 0.00 0.00 0.00 57.16 57.93 1i8u n GLU 157 Cb 0.42 -1.82 0.27 0.00 0.00 0.00 0.00 31.44 30.31 1i8u n GLU 157 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.13 178.76 1i8u n LYS 158 N -2.05 2.20 -1.33 3.44 5.02 -1.26 -4.93 118.16 119.25 1i8u n LYS 158 Ca -0.00 -1.83 -0.08 0.00 -2.02 0.00 0.00 58.31 54.38 1i8u n LYS 158 Cb 0.07 -1.45 -0.03 0.00 -0.02 0.00 0.00 35.03 33.60 1i8u n LYS 158 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1i8u n GLY 159 N 1.35 0.94 3.63 0.72 0.00 -0.50 -4.93 105.19 106.40 1i8u n GLY 159 Ca 0.18 -0.65 -0.34 0.00 0.00 0.00 0.00 46.02 45.21 1i8u n GLY 159 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1i8u s GLN 160 N -2.87 3.07 -0.17 1.61 -0.21 -1.26 -4.12 119.66 115.70 1i8u s GLN 160 Ca 0.00 -0.45 -0.29 0.00 0.02 0.00 0.00 55.36 54.64 1i8u s GLN 160 Cb 0.00 -2.78 0.00 0.00 1.00 0.00 0.00 33.01 31.23 1i8u s GLN 160 CO 0.00 0.61 1.03 0.50 -2.12 0.00 0.00 175.29 175.31 1i8u s ARG 161 N -0.64 4.33 0.00 2.91 3.52 -1.26 -1.24 118.95 126.57 1i8u s ARG 161 Ca 0.10 1.38 0.06 0.00 -0.13 0.00 0.00 55.73 57.14 1i8u s ARG 161 Cb -0.12 -3.60 -0.04 0.00 -1.56 0.00 0.00 34.95 29.64 1i8u s ARG 161 CO 0.02 -0.49 0.34 1.33 -0.81 0.00 0.00 175.30 175.69 1i8u n VAL 162 N 4.98 0.00 -3.84 7.11 0.24 0.14 -4.97 118.33 121.99 1i8u n VAL 162 Ca 0.11 -0.40 -0.13 0.00 -2.04 0.00 0.00 64.34 61.88 1i8u n VAL 162 Cb 0.47 1.03 -0.14 0.00 -1.47 0.00 0.00 33.84 33.73 1i8u n VAL 162 CO 0.00 0.00 0.00 -0.83 -2.14 0.00 0.00 176.83 173.86 1i8u s GLY 163 N -1.32 0.02 -0.23 7.63 0.00 -0.73 -3.45 107.32 109.25 1i8u s GLY 163 Ca 0.03 0.12 -0.04 0.00 0.00 0.00 0.00 44.72 44.83 1i8u s GLY 163 CO 0.20 0.22 0.12 -0.42 0.00 0.00 0.00 173.10 173.22 1i8u s ILE 164 N 0.30 -0.10 -0.02 0.90 1.01 0.21 -0.74 121.20 122.76 1i8u s ILE 164 Ca -0.02 -0.42 0.00 0.00 0.00 0.00 0.00 60.65 60.21 1i8u s ILE 164 Cb -0.04 -0.76 0.02 0.00 0.01 0.00 0.00 42.46 41.69 1i8u s ILE 164 CO -0.01 -0.47 -0.00 -0.63 0.00 0.00 0.00 174.94 173.83 1i8u s ILE 165 N 2.14 0.15 0.29 2.92 1.01 -1.00 -0.73 121.20 125.97 1i8u s ILE 165 Ca 0.05 0.06 0.03 0.00 0.00 0.00 0.00 60.65 60.80 1i8u s ILE 165 Cb -0.16 -0.22 -0.01 0.00 0.01 0.00 0.00 42.46 42.08 1i8u s ILE 165 CO -0.22 0.12 0.12 -1.54 0.00 0.00 0.00 174.94 173.42 1i8u n SER 166 N 3.91 0.98 -0.07 3.58 3.41 -0.68 -0.49 113.62 124.26 1i8u n SER 166 Ca -0.24 -2.58 -0.13 0.00 -0.26 0.00 0.00 58.87 55.66 1i8u n SER 166 Cb 0.52 0.80 -0.12 0.00 -0.26 0.00 0.00 64.21 65.14 1i8u n SER 166 CO 0.00 0.00 0.00 -0.25 -0.16 0.00 0.00 175.04 174.63 1i8u h TRP 167 N 1.52 -0.00 -0.00 7.33 7.01 -1.64 0.12 115.95 130.29 1i8u h TRP 167 Ca -0.22 -0.00 0.00 0.00 2.11 0.00 0.00 58.89 60.78 1i8u h TRP 167 Cb 0.88 0.00 0.00 0.00 -2.10 0.00 0.00 29.16 27.94 1i8u h TRP 167 CO 0.00 0.94 -0.31 -1.13 -2.79 0.00 0.00 178.44 175.16 1i8u n SER 168 N -4.63 0.40 -4.07 2.65 3.41 -1.26 -4.32 113.62 105.81 1i8u n SER 168 Ca -0.10 -0.70 -0.32 0.00 -0.26 0.00 0.00 58.87 57.49 1i8u n SER 168 Cb 0.45 0.94 -0.15 0.00 -0.26 0.00 0.00 64.21 65.19 1i8u n SER 168 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1i8u s ASP 169 N -1.59 4.13 0.00 4.04 2.15 -1.25 -4.82 116.67 119.32 1i8u s ASP 169 Ca 0.03 -1.23 0.20 0.00 0.43 0.00 0.00 52.55 51.98 1i8u s ASP 169 Cb 0.05 -1.50 0.56 0.00 -0.30 0.00 0.00 42.92 41.73 1i8u s ASP 169 CO 0.27 -0.16 1.47 -0.81 -0.17 0.00 0.00 175.17 175.77 1i8u n PRO 170 N 4.49 2.46 0.00 4.34 -0.04 -1.26 -4.26 135.00 140.74 1i8u n PRO 170 Ca -0.15 -2.27 0.05 0.00 -0.04 0.00 0.00 63.50 61.10 1i8u n PRO 170 Cb 0.44 -1.50 0.04 0.00 -0.04 0.00 0.00 33.50 32.44 1i8u n PRO 170 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 1i8u n THR 171 N 1.36 0.00 -3.65 0.52 -2.24 -1.26 -3.89 114.28 105.11 1i8u n THR 171 Ca 0.21 -0.49 -0.24 0.00 -2.27 0.00 0.00 64.05 61.26 1i8u n THR 171 Cb 0.54 1.21 0.06 0.00 -2.10 0.00 0.00 70.33 70.05 1i8u n THR 171 CO 0.00 0.00 0.00 -3.20 -0.57 0.00 0.00 175.07 171.30 1i8u n ASN 172 N 0.52 -4.72 0.00 3.42 5.15 -1.26 -4.91 115.26 113.46 1i8u n ASN 172 Ca 0.06 -0.64 0.00 0.00 -0.60 0.00 0.00 54.58 53.40 1i8u n ASN 172 Cb 0.26 -4.69 0.00 0.00 -0.53 0.00 0.00 39.78 34.82 1i8u n ASN 172 CO 0.00 0.00 0.00 0.59 1.40 0.00 0.00 177.26 179.25 1i8u n ASN 173 N -3.00 1.77 0.22 1.20 3.02 -1.26 -4.74 115.26 112.48 1i8u n ASN 173 Ca -0.07 -1.79 0.09 0.00 -0.03 0.00 0.00 54.58 52.79 1i8u n ASN 173 Cb 0.58 0.00 0.64 0.00 -0.61 0.00 0.00 39.78 40.39 1i8u n ASN 173 CO 0.00 0.00 0.00 0.28 -2.62 0.00 0.00 177.26 174.92 1i8u h SER 174 N 0.00 0.01 0.33 6.41 0.02 -1.91 0.24 113.55 118.65 1i8u h SER 174 Ca 0.00 -0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1i8u h SER 174 Cb 0.41 -0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.95 1i8u h SER 174 CO 0.00 0.01 0.00 -2.67 -1.14 0.00 0.00 176.83 173.03 1i8u n TRP 175 N -4.52 0.42 -0.35 3.45 4.27 -1.26 -3.58 117.44 115.87 1i8u n TRP 175 Ca -0.01 0.19 0.00 0.00 -3.89 0.00 0.00 57.50 53.78 1i8u n TRP 175 Cb 0.15 -0.80 0.00 0.00 -1.36 0.00 0.00 31.31 29.30 1i8u n TRP 175 CO 0.00 0.00 0.00 2.89 -2.29 0.00 0.00 177.69 178.29 1i8u n ARG 176 N -1.90 0.00 -3.72 -2.67 1.85 -0.74 -4.73 116.66 104.74 1i8u n ARG 176 Ca 0.01 0.00 -0.30 0.00 -1.00 0.00 0.00 57.85 56.56 1i8u n ARG 176 Cb 0.11 -0.12 -0.14 0.00 -1.05 0.00 0.00 32.46 31.27 1i8u n ARG 176 CO 0.00 0.00 0.00 0.34 -0.01 0.00 0.00 177.63 177.96 1i8u s ASP 177 N 0.00 3.79 0.63 2.89 -1.08 0.79 -3.80 116.67 119.89 1i8u s ASP 177 Ca 0.00 -2.29 0.35 0.00 -0.52 0.00 0.00 52.55 50.09 1i8u s ASP 177 Cb 0.00 -0.98 1.94 0.00 -1.46 0.00 0.00 42.92 42.42 1i8u s ASP 177 CO 0.00 -0.32 2.18 -0.65 0.52 0.00 0.00 175.17 176.90 1i8u h PRO 178 N 7.19 0.00 0.00 4.34 0.11 -1.73 -1.19 132.00 140.72 1i8u h PRO 178 Ca -0.05 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.06 1i8u h PRO 178 Cb 0.96 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.07 1i8u h PRO 178 CO 0.47 0.00 0.00 -1.13 -0.21 0.00 0.00 178.00 177.13 1i8u n SER 179 N -3.37 0.00 -0.07 -2.05 3.41 0.25 -1.44 113.62 110.35 1i8u n SER 179 Ca -0.01 0.50 0.12 0.00 -0.26 0.00 0.00 58.87 59.22 1i8u n SER 179 Cb 0.22 -0.50 0.21 0.00 -0.26 0.00 0.00 64.21 63.88 1i8u n SER 179 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 1i8u n LYS 180 N -1.50 0.22 -1.69 4.33 4.76 -0.45 -4.92 118.16 118.91 1i8u n LYS 180 Ca 0.02 -0.14 -0.30 0.00 -2.87 0.00 0.00 58.31 55.02 1i8u n LYS 180 Cb 0.11 -1.50 0.07 0.00 -1.84 0.00 0.00 35.03 31.87 1i8u n LYS 180 CO 0.00 0.00 0.00 -0.06 -1.37 0.00 0.00 177.40 175.97 1i8u s PHE 181 N -2.88 3.04 0.00 2.13 0.08 -0.52 -3.89 117.98 115.94 1i8u s PHE 181 Ca 0.14 1.12 0.00 0.00 0.12 0.00 0.00 56.93 58.30 1i8u s PHE 181 Cb 0.18 -3.09 0.00 0.00 -0.57 0.00 0.00 43.02 39.53 1i8u s PHE 181 CO 0.68 -1.52 0.00 0.41 -0.10 0.00 0.00 175.22 174.70 1i8u n GLY 182 N -2.46 1.54 3.47 4.36 0.00 0.86 -4.78 105.19 108.19 1i8u n GLY 182 Ca 0.07 -2.07 -0.33 0.00 0.00 0.00 0.00 46.02 43.69 1i8u n GLY 182 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1i8u s ASN 183 N -1.00 4.49 -0.18 1.61 0.01 0.10 -1.26 114.94 118.71 1i8u s ASN 183 Ca 0.00 -0.17 0.01 0.00 -0.71 0.00 0.00 52.86 51.99 1i8u s ASN 183 Cb 0.00 -1.56 0.02 0.00 0.41 0.00 0.00 41.25 40.12 1i8u s ASN 183 CO 0.00 0.22 -0.17 -0.22 -1.51 0.00 0.00 177.10 175.41 1i8u s LEU 184 N 0.07 2.15 -0.18 0.60 2.96 -0.41 -0.65 118.68 123.21 1i8u s LEU 184 Ca -0.02 -0.69 -0.16 0.00 -0.22 0.00 0.00 54.13 53.04 1i8u s LEU 184 Cb -0.14 -1.41 -0.04 0.00 0.50 0.00 0.00 46.19 45.10 1i8u s LEU 184 CO 0.03 -0.04 0.41 0.00 -1.32 0.00 0.00 176.35 175.44 1i8u s ARG 185 N 1.32 4.22 -0.57 1.98 1.70 0.29 -1.68 118.95 126.22 1i8u s ARG 185 Ca 0.04 0.26 -0.20 0.00 -0.47 0.00 0.00 55.73 55.35 1i8u s ARG 185 Cb -0.14 -3.51 0.07 0.00 -0.57 0.00 0.00 34.95 30.81 1i8u s ARG 185 CO -0.12 0.02 0.75 -0.51 -1.08 0.00 0.00 175.30 174.37 1i8u s LEU 186 N 1.12 4.90 0.19 -1.89 1.43 0.23 -1.15 118.68 123.51 1i8u s LEU 186 Ca 0.21 -1.04 0.06 0.00 -1.03 0.00 0.00 54.13 52.33 1i8u s LEU 186 Cb -0.15 -2.44 -0.04 0.00 0.03 0.00 0.00 46.19 43.60 1i8u s LEU 186 CO 0.08 -1.11 0.11 0.27 0.23 0.00 0.00 176.35 175.92 1i8u s ILE 187 N 3.08 4.22 -2.00 -0.59 -4.36 -0.66 0.77 121.20 121.65 1i8u s ILE 187 Ca 0.17 -1.30 0.07 0.00 -0.26 0.00 0.00 60.65 59.33 1i8u s ILE 187 Cb -0.20 -3.18 0.21 0.00 1.25 0.00 0.00 42.46 40.54 1i8u s ILE 187 CO 0.10 -0.18 0.89 2.29 0.24 0.00 0.00 174.94 178.28