#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i9b n THR 6 N 0.00-10.53 -0.01 9.51 -1.04 -1.26 -5.03 114.28 105.91 3i9b n THR 6 Ca 0.00 0.80 -0.02 0.00 -2.04 0.00 0.00 64.05 62.79 3i9b n THR 6 Cb 0.00 -7.00 -0.01 0.00 -1.82 0.00 0.00 70.33 61.50 3i9b n THR 6 CO 0.00 0.00 0.00 0.55 -0.64 0.00 0.00 175.07 174.98 3i9b n VAL 7 N -0.34 0.53 -0.36 12.58 3.14 -1.26 -4.98 118.33 127.63 3i9b n VAL 7 Ca 0.10 0.29 0.00 0.00 -2.96 0.00 0.00 64.34 61.77 3i9b n VAL 7 Cb 0.48 -1.60 0.00 0.00 -1.06 0.00 0.00 33.84 31.66 3i9b n VAL 7 CO 0.00 0.00 0.00 1.17 -6.46 0.00 0.00 176.83 171.54 3i9b n LYS 8 N -3.10 0.00 0.02 1.45 4.81 -1.26 -4.67 118.16 115.41 3i9b n LYS 8 Ca -0.03 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.41 3i9b n LYS 8 Cb 0.12 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.17 3i9b n LYS 8 CO 0.00 0.00 0.00 -1.91 1.17 0.00 0.00 177.40 176.66 3i9b n GLU 9 N -0.06 0.00 -0.56 1.64 4.07 -1.26 -4.58 120.64 119.89 3i9b n GLU 9 Ca 0.00 0.00 0.45 0.00 -0.06 0.00 0.00 57.16 57.55 3i9b n GLU 9 Cb 0.00 -0.04 0.76 0.00 -0.06 0.00 0.00 31.44 32.09 3i9b n GLU 9 CO 0.00 0.00 0.00 1.25 -0.06 0.00 0.00 177.13 178.32 3i9b h LEU 10 N 0.00 0.08 0.00 4.31 7.12 -2.01 0.78 115.31 125.60 3i9b h LEU 10 Ca 0.00 0.05 0.00 0.00 0.13 0.00 0.00 57.88 58.06 3i9b h LEU 10 Cb 0.00 0.04 0.00 0.00 -0.53 0.00 0.00 40.66 40.17 3i9b h LEU 10 CO 0.00 -0.06 -0.78 0.17 -0.13 0.00 0.00 178.44 177.64 3i9b h LEU 11 N 0.03 0.00 0.00 2.25 -0.00 -1.95 -3.32 115.31 112.32 3i9b h LEU 11 Ca 0.84 -0.05 0.00 0.00 -0.00 0.00 0.00 57.88 58.68 3i9b h LEU 11 Cb 3.14 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 43.80 3i9b h LEU 11 CO -0.15 0.02 0.00 -1.84 -0.00 0.00 0.00 178.44 176.47 3i9b n GLU 12 N -2.61 0.17 0.00 0.17 -0.00 0.27 -2.76 120.64 115.88 3i9b n GLU 12 Ca 0.01 0.14 0.00 0.00 -0.00 0.00 0.00 57.16 57.32 3i9b n GLU 12 Cb 0.52 -1.50 0.00 0.00 -0.00 0.00 0.00 31.44 30.46 3i9b n GLU 12 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 3i9b n ALA 13 N -1.20 1.10 -0.80 -1.84 0.00 -1.24 -1.34 120.51 115.19 3i9b n ALA 13 Ca 0.05 0.00 -0.17 0.00 0.00 0.00 0.00 53.44 53.32 3i9b n ALA 13 Cb 0.06 -0.73 0.17 0.00 0.00 0.00 0.00 19.45 18.94 3i9b n ALA 13 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3i9b n GLY 14 N -0.87 3.89 2.44 0.00 0.00 -1.11 -3.76 105.19 105.77 3i9b n GLY 14 Ca 0.00 -0.88 -0.02 0.00 0.00 0.00 0.00 46.02 45.12 3i9b n GLY 14 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87 3i9b n VAL 15 N -0.68 0.00 -0.69 1.61 3.14 -0.45 -5.08 118.33 116.18 3i9b n VAL 15 Ca 0.46 -0.85 -0.29 0.00 -2.96 0.00 0.00 64.34 60.70 3i9b n VAL 15 Cb 1.41 0.87 0.25 0.00 -1.06 0.00 0.00 33.84 35.31 3i9b n VAL 15 CO 0.00 0.00 0.00 -1.38 -6.46 0.00 0.00 176.83 168.99 3i9b s HIS 16 N 0.11 1.09 0.11 1.45 -3.43 -1.25 -4.61 115.29 108.76 3i9b s HIS 16 Ca 0.09 0.95 -0.00 0.00 -0.80 0.00 0.00 55.06 55.29 3i9b s HIS 16 Cb 0.33 -3.13 0.01 0.00 -1.43 0.00 0.00 32.58 28.36 3i9b s HIS 16 CO -0.09 -3.91 0.02 1.19 -2.00 0.00 0.00 174.74 169.95 3i9b n PHE 17 N -4.91 -0.46 0.00 0.38 3.72 -1.26 -4.72 117.46 110.21 3i9b n PHE 17 Ca 0.06 0.09 0.00 0.00 -0.05 0.00 0.00 57.45 57.55 3i9b n PHE 17 Cb 0.56 -0.25 0.00 0.00 -0.94 0.00 0.00 39.48 38.86 3i9b n PHE 17 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3i9b n GLY 18 N 0.37 1.62 3.64 1.37 0.00 -1.23 -4.86 105.19 106.10 3i9b n GLY 18 Ca 0.00 -1.29 -0.05 0.00 0.00 0.00 0.00 46.02 44.68 3i9b n GLY 18 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 3i9b s HIS 19 N 0.00 -0.88 0.11 1.61 5.04 -1.25 -4.78 115.29 115.15 3i9b s HIS 19 Ca 0.00 1.76 0.00 0.00 -1.54 0.00 0.00 55.06 55.28 3i9b s HIS 19 Cb 0.00 0.52 0.00 0.00 0.04 0.00 0.00 32.58 33.14 3i9b s HIS 19 CO 0.00 -0.43 0.00 0.39 -2.34 0.00 0.00 174.74 172.36 3i9b n GLU 20 N 4.05 -2.90 -1.76 2.88 -0.58 -1.26 -4.48 120.64 116.59 3i9b n GLU 20 Ca -0.19 2.04 -0.42 0.00 -0.42 0.00 0.00 57.16 58.17 3i9b n GLU 20 Cb 0.58 -2.46 -0.03 0.00 -0.57 0.00 0.00 31.44 28.96 3i9b n GLU 20 CO 0.00 0.00 0.00 1.03 -0.48 0.00 0.00 177.13 177.68 3i9b s ARG 21 N -0.32 4.15 1.57 3.49 0.52 -1.26 -4.26 118.95 122.84 3i9b s ARG 21 Ca 0.00 2.54 0.00 0.00 -0.52 0.00 0.00 55.73 57.75 3i9b s ARG 21 Cb 0.00 -3.66 0.00 0.00 0.52 0.00 0.00 34.95 31.81 3i9b s ARG 21 CO 0.00 -0.83 0.00 1.63 0.02 0.00 0.00 175.30 176.12 3i9b n LYS 22 N 5.89 0.00 -1.98 3.54 4.01 -1.26 -4.63 118.16 123.73 3i9b n LYS 22 Ca 0.18 0.00 0.00 0.00 -0.51 0.00 0.00 58.31 57.98 3i9b n LYS 22 Cb 0.39 0.00 0.00 0.00 -0.51 0.00 0.00 35.03 34.91 3i9b n LYS 22 CO 0.00 0.00 0.00 0.54 -1.11 0.00 0.00 177.40 176.83 3i9b n ARG 23 N 2.36 -0.99 0.00 1.97 1.74 -1.26 -4.79 116.66 115.70 3i9b n ARG 23 Ca 0.00 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.08 3i9b n ARG 23 Cb 0.00 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 31.44 3i9b n ARG 23 CO 0.00 0.00 0.00 -2.67 -1.52 0.00 0.00 177.63 173.44 3i9b n TRP 24 N -0.75 0.00 -3.19 -1.55 4.27 -1.26 -4.89 117.44 110.08 3i9b n TRP 24 Ca 0.00 0.00 0.01 0.00 -3.89 0.00 0.00 57.50 53.62 3i9b n TRP 24 Cb 0.00 0.00 -0.01 0.00 -1.36 0.00 0.00 31.31 29.94 3i9b n TRP 24 CO 0.00 0.00 0.00 1.21 -2.29 0.00 0.00 177.69 176.61 3i9b s ASN 25 N -1.00 -1.20 0.55 -0.67 3.84 -1.26 -4.77 114.94 110.42 3i9b s ASN 25 Ca 0.00 -0.07 0.15 0.00 0.21 0.00 0.00 52.86 53.15 3i9b s ASN 25 Cb 0.00 1.83 0.51 0.00 -0.55 0.00 0.00 41.25 43.04 3i9b s ASN 25 CO 0.00 -0.29 1.04 -0.81 -2.79 0.00 0.00 177.10 174.25 3i9b n PRO 26 N 5.26 0.02 -0.32 0.43 -0.04 -1.26 -1.69 135.00 137.40 3i9b n PRO 26 Ca 0.05 0.87 0.26 0.00 -0.04 0.00 0.00 63.50 64.64 3i9b n PRO 26 Cb 0.53 -2.23 0.57 0.00 -0.04 0.00 0.00 33.50 32.34 3i9b n PRO 26 CO 0.00 0.00 0.00 0.87 -0.04 0.00 0.00 175.50 176.33 3i9b h LYS 27 N 0.00 0.28 -3.86 0.54 1.79 -1.96 -3.01 116.57 110.34 3i9b h LYS 27 Ca 0.28 -0.02 -0.41 0.00 -2.18 0.00 0.00 60.65 58.32 3i9b h LYS 27 Cb 2.28 -0.06 0.03 0.00 -1.58 0.00 0.00 32.23 32.90 3i9b h LYS 27 CO -0.00 0.18 2.26 1.19 -1.08 0.00 0.00 179.45 182.00 3i9b n PHE 28 N -4.52 1.26 0.00 -1.35 3.72 -0.68 -4.79 117.46 111.10 3i9b n PHE 28 Ca 0.25 -1.66 0.00 0.00 -0.05 0.00 0.00 57.45 55.99 3i9b n PHE 28 Cb 0.98 -1.50 0.00 0.00 -0.94 0.00 0.00 39.48 38.02 3i9b n PHE 28 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 3i9b n ALA 29 N 5.41 0.00 0.58 4.37 0.00 -1.14 -2.91 120.51 126.83 3i9b n ALA 29 Ca 0.40 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.84 3i9b n ALA 29 Cb 0.20 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.65 3i9b n ALA 29 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3i9b n ARG 30 N 0.00 0.34 0.15 0.00 3.00 -1.26 -0.05 116.66 118.84 3i9b n ARG 30 Ca 0.00 0.00 0.13 0.00 -0.01 0.00 0.00 57.85 57.97 3i9b n ARG 30 Cb 0.00 -1.05 0.30 0.00 0.00 0.00 0.00 32.46 31.71 3i9b n ARG 30 CO 0.00 0.00 0.00 -0.92 0.00 0.00 0.00 177.63 176.71 3i9b h TYR 31 N 0.18 0.00 0.00 -1.55 5.03 -1.90 -3.41 116.97 115.32 3i9b h TYR 31 Ca 0.00 0.00 0.00 0.00 2.58 0.00 0.00 58.73 61.31 3i9b h TYR 31 Cb 0.05 0.00 0.00 0.00 1.55 0.00 0.00 36.73 38.33 3i9b h TYR 31 CO 0.00 0.00 0.00 1.51 -1.32 0.00 0.00 178.16 178.35 3i9b n ILE 32 N -2.61 0.00 0.00 1.81 3.06 0.93 -4.64 119.36 117.91 3i9b n ILE 32 Ca 0.05 0.00 0.00 0.00 -2.50 0.00 0.00 62.75 60.30 3i9b n ILE 32 Cb 0.47 0.00 0.00 0.00 0.54 0.00 0.00 39.64 40.65 3i9b n ILE 32 CO 0.00 0.00 0.00 0.00 -2.50 0.00 0.00 176.55 174.05 3i9b n TYR 33 N 0.00 0.00 -4.18 9.51 4.19 -1.26 -1.04 117.16 124.38 3i9b n TYR 33 Ca 0.00 0.00 -0.15 0.00 3.31 0.00 0.00 57.90 61.06 3i9b n TYR 33 Cb 0.00 0.00 -0.07 0.00 0.49 0.00 0.00 39.34 39.76 3i9b n TYR 33 CO 0.00 0.00 0.00 0.00 0.91 0.00 0.00 176.86 177.77 3i9b s ALA 34 N -1.00 1.18 0.03 2.98 0.00 -1.21 -5.00 121.76 118.74 3i9b s ALA 34 Ca 0.00 -1.71 0.07 0.00 0.00 0.00 0.00 51.96 50.31 3i9b s ALA 34 Cb 0.00 1.32 -0.02 0.00 0.00 0.00 0.00 23.12 24.42 3i9b s ALA 34 CO 0.00 -0.71 -0.19 -2.00 0.00 0.00 0.00 175.76 172.86 3i9b s GLU 35 N -3.51 1.35 -0.14 0.00 -6.30 -1.26 -1.14 118.70 107.70 3i9b s GLU 35 Ca 0.35 -0.86 -0.04 0.00 -2.50 0.00 0.00 54.97 51.93 3i9b s GLU 35 Cb 0.02 -1.42 0.06 0.00 0.00 0.00 0.00 34.13 32.79 3i9b s GLU 35 CO 0.20 0.37 0.12 0.50 0.02 0.00 0.00 175.26 176.47 3i9b s ARG 36 N -1.02 0.06 -0.60 4.30 3.52 -1.26 -4.96 118.95 118.99 3i9b s ARG 36 Ca 0.07 0.18 -0.19 0.00 -0.13 0.00 0.00 55.73 55.65 3i9b s ARG 36 Cb -0.08 -1.18 0.03 0.00 -1.56 0.00 0.00 34.95 32.15 3i9b s ARG 36 CO 0.01 -0.54 0.64 0.27 -0.81 0.00 0.00 175.30 174.87 3i9b n ASN 37 N 5.30 -5.88 -0.79 -2.12 0.23 -1.26 -4.72 115.26 106.01 3i9b n ASN 37 Ca -0.06 -0.32 0.07 0.00 -0.53 0.00 0.00 54.58 53.74 3i9b n ASN 37 Cb 0.49 -2.59 -0.04 0.00 -2.08 0.00 0.00 39.78 35.57 3i9b n ASN 37 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 3i9b n GLY 38 N -0.85 -3.17 1.61 4.83 0.00 -1.26 -5.04 105.19 101.30 3i9b n GLY 38 Ca -0.13 -1.18 0.00 0.00 0.00 0.00 0.00 46.02 44.71 3i9b n GLY 38 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 3i9b n ILE 39 N -2.91 -3.59 -2.59 -0.61 5.41 -1.26 -4.83 119.36 108.98 3i9b n ILE 39 Ca -0.04 1.66 -0.41 0.00 1.00 0.00 0.00 62.75 64.96 3i9b n ILE 39 Cb 0.34 -2.21 -0.04 0.00 -0.71 0.00 0.00 39.64 37.02 3i9b n ILE 39 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 176.55 175.55 3i9b s HIS 40 N -2.56 3.64 -0.73 1.39 3.76 -1.26 -4.09 115.29 115.44 3i9b s HIS 40 Ca 0.00 1.62 -0.15 0.00 -0.15 0.00 0.00 55.06 56.38 3i9b s HIS 40 Cb 0.00 -3.21 0.19 0.00 1.11 0.00 0.00 32.58 30.66 3i9b s HIS 40 CO 0.00 -0.40 0.68 0.42 -0.85 0.00 0.00 174.74 174.59 3i9b s ILE 41 N 0.26 5.45 1.06 0.60 1.09 -0.29 -3.47 121.20 125.90 3i9b s ILE 41 Ca 0.51 -2.10 -0.16 0.00 -1.10 0.00 0.00 60.65 57.79 3i9b s ILE 41 Cb -0.26 -4.43 0.09 0.00 -1.06 0.00 0.00 42.46 36.80 3i9b s ILE 41 CO 0.31 -0.98 0.22 2.30 -0.10 0.00 0.00 174.94 176.70 3i9b n ILE 42 N 4.46 0.00 -2.94 2.92 -5.35 -1.26 -3.28 119.36 113.89 3i9b n ILE 42 Ca 0.04 -0.26 -0.40 0.00 -0.27 0.00 0.00 62.75 61.86 3i9b n ILE 42 Cb 0.45 -0.64 -0.06 0.00 -1.74 0.00 0.00 39.64 37.65 3i9b n ILE 42 CO 0.00 0.00 0.00 -0.62 -1.76 0.00 0.00 176.55 174.17 3i9b s ASP 43 N -1.95 7.37 -0.13 7.28 2.15 -0.21 -4.79 116.67 126.40 3i9b s ASP 43 Ca 0.57 1.63 -0.11 0.00 0.43 0.00 0.00 52.55 55.07 3i9b s ASP 43 Cb -0.16 -2.51 -0.09 0.00 -0.30 0.00 0.00 42.92 39.86 3i9b s ASP 43 CO 0.66 0.14 0.18 0.17 -0.17 0.00 0.00 175.17 176.15 3i9b h LEU 44 N 4.75 0.00 0.00 -1.34 8.10 -1.92 -3.16 115.31 121.74 3i9b h LEU 44 Ca -0.46 -0.30 0.00 0.00 0.11 0.00 0.00 57.88 57.23 3i9b h LEU 44 Cb 1.21 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 41.43 3i9b h LEU 44 CO 0.68 0.78 0.00 1.67 -4.11 0.00 0.00 178.44 177.46 3i9b n GLN 45 N -4.67 0.00 -0.34 0.17 7.27 -1.26 -0.84 117.38 117.71 3i9b n GLN 45 Ca -0.07 0.64 0.18 0.00 0.07 0.00 0.00 57.00 57.81 3i9b n GLN 45 Cb 0.24 -1.15 0.40 0.00 2.41 0.00 0.00 30.24 32.14 3i9b n GLN 45 CO 0.00 0.00 0.00 0.87 0.07 0.00 0.00 177.06 178.00 3i9b h LYS 46 N 0.00 0.55 -0.89 3.69 1.57 -1.96 0.49 116.57 120.01 3i9b h LYS 46 Ca 0.00 -0.03 0.25 0.00 -1.87 0.00 0.00 60.65 58.99 3i9b h LYS 46 Cb 0.00 -0.12 -0.15 0.00 0.08 0.00 0.00 32.23 32.04 3i9b h LYS 46 CO 0.00 0.36 0.21 1.15 -0.57 0.00 0.00 179.45 180.61 3i9b h THR 47 N 0.57 0.26 0.43 -0.16 2.02 -0.95 0.41 112.91 115.49 3i9b h THR 47 Ca 0.63 -0.06 -0.02 0.00 0.77 0.00 0.00 66.41 67.74 3i9b h THR 47 Cb 1.25 0.08 0.00 0.00 -1.74 0.00 0.00 68.15 67.74 3i9b h THR 47 CO -0.44 0.03 -0.20 -0.03 0.37 0.00 0.00 175.52 175.24 3i9b h MET 48 N 0.17 -0.55 -0.98 6.66 1.85 0.85 -2.20 114.93 120.72 3i9b h MET 48 Ca 0.57 0.04 0.34 0.00 -0.61 0.00 0.00 59.70 60.04 3i9b h MET 48 Cb 1.16 0.13 -0.17 0.00 0.43 0.00 0.00 31.60 33.15 3i9b h MET 48 CO -0.70 -0.24 0.42 0.93 -0.40 0.00 0.00 176.91 176.92 3i9b h GLU 49 N -0.94 0.12 0.25 0.39 3.07 -0.03 0.37 114.58 117.80 3i9b h GLU 49 Ca -0.06 -0.01 -0.01 0.00 -0.50 0.00 0.00 59.36 58.78 3i9b h GLU 49 Cb 0.56 -0.03 0.00 0.00 -0.84 0.00 0.00 28.75 28.45 3i9b h GLU 49 CO 0.10 0.08 -0.12 1.49 -1.40 0.00 0.00 179.01 179.16 3i9b h GLU 50 N 0.13 -0.32 -1.06 2.33 4.22 -0.26 -2.99 114.58 116.62 3i9b h GLU 50 Ca 0.73 0.02 0.29 0.00 0.08 0.00 0.00 59.36 60.49 3i9b h GLU 50 Cb 1.76 0.07 -0.11 0.00 0.50 0.00 0.00 28.75 30.97 3i9b h GLU 50 CO -0.73 -0.00 0.67 -0.07 -2.18 0.00 0.00 179.01 176.69 3i9b h LEU 51 N -0.67 0.48 0.24 1.64 3.38 0.31 0.20 115.31 120.89 3i9b h LEU 51 Ca -0.03 0.11 0.01 0.00 0.09 0.00 0.00 57.88 58.06 3i9b h LEU 51 Cb 0.47 0.04 -0.03 0.00 0.09 0.00 0.00 40.66 41.23 3i9b h LEU 51 CO 0.06 0.03 -0.37 -0.08 0.09 0.00 0.00 178.44 178.16 3i9b h GLU 52 N 0.39 -0.66 0.00 1.13 4.81 -0.98 -1.85 114.58 117.43 3i9b h GLU 52 Ca 0.65 0.04 0.00 0.00 -0.13 0.00 0.00 59.36 59.92 3i9b h GLU 52 Cb 1.60 0.15 0.00 0.00 0.63 0.00 0.00 28.75 31.13 3i9b h GLU 52 CO -0.38 -0.44 0.00 -2.13 -0.73 0.00 0.00 179.01 175.33 3i9b n ARG 53 N -5.46 0.00 -0.32 1.92 0.63 0.64 -2.93 116.66 111.14 3i9b n ARG 53 Ca -0.08 0.18 -0.07 0.00 -0.92 0.00 0.00 57.85 56.95 3i9b n ARG 53 Cb 0.37 -1.10 -0.06 0.00 0.45 0.00 0.00 32.46 32.12 3i9b n ARG 53 CO 0.00 0.00 0.00 2.41 -2.51 0.00 0.00 177.63 177.53 3i9b n THR 54 N -0.89 -0.51 -0.10 5.15 -1.04 -0.78 0.10 114.28 116.19 3i9b n THR 54 Ca 0.00 1.89 0.24 0.00 -2.04 0.00 0.00 64.05 64.14 3i9b n THR 54 Cb 0.00 -2.36 0.70 0.00 -1.82 0.00 0.00 70.33 66.85 3i9b n THR 54 CO 0.00 0.00 0.00 -0.26 -0.64 0.00 0.00 175.07 174.17 3i9b h PHE 55 N 0.00 0.03 -0.45 -1.42 0.04 -1.43 0.38 116.94 114.09 3i9b h PHE 55 Ca 0.15 0.00 -0.09 0.00 2.80 0.00 0.00 57.97 60.83 3i9b h PHE 55 Cb 0.35 -0.01 -0.02 0.00 2.20 0.00 0.00 35.95 38.47 3i9b h PHE 55 CO -0.79 0.01 -0.10 0.00 -0.60 0.00 0.00 178.31 176.83 3i9b h ARG 56 N 0.02 0.80 -0.05 1.51 3.08 -0.22 -0.56 114.38 118.97 3i9b h ARG 56 Ca 0.35 -0.26 -0.06 0.00 0.07 0.00 0.00 59.98 60.08 3i9b h ARG 56 Cb 1.37 -0.07 -0.01 0.00 0.08 0.00 0.00 29.97 31.34 3i9b h ARG 56 CO -0.01 0.87 -0.25 0.35 -1.07 0.00 0.00 179.97 179.86 3i9b h PHE 57 N 0.73 0.09 -0.13 3.04 3.57 -0.13 -1.07 116.94 123.04 3i9b h PHE 57 Ca 0.12 -0.01 -0.17 0.00 3.53 0.00 0.00 57.97 61.44 3i9b h PHE 57 Cb 0.58 -0.02 0.01 0.00 2.79 0.00 0.00 35.95 39.31 3i9b h PHE 57 CO 0.03 0.33 -0.59 0.82 -2.23 0.00 0.00 178.31 176.67 3i9b h ILE 58 N 0.07 1.33 0.03 1.41 1.08 -0.82 -0.37 117.51 120.25 3i9b h ILE 58 Ca 0.01 -1.87 0.01 0.00 -0.39 0.00 0.00 64.86 62.63 3i9b h ILE 58 Cb 0.49 2.10 -0.02 0.00 -3.07 0.00 0.00 36.82 36.32 3i9b h ILE 58 CO 0.03 0.57 -0.11 -0.08 -0.69 0.00 0.00 178.15 177.88 3i9b h GLU 59 N 0.28 -0.19 -0.31 2.37 4.81 -0.64 0.85 114.58 121.74 3i9b h GLU 59 Ca -0.04 0.01 -0.05 0.00 -0.13 0.00 0.00 59.36 59.16 3i9b h GLU 59 Cb 1.23 0.04 -0.02 0.00 0.63 0.00 0.00 28.75 30.64 3i9b h GLU 59 CO 0.12 -0.13 -0.00 0.22 -0.73 0.00 0.00 179.01 178.49 3i9b h ASP 60 N -0.20 0.44 0.49 1.04 -0.00 -1.21 1.93 116.42 118.92 3i9b h ASP 60 Ca 0.03 -0.08 -0.16 0.00 -0.00 0.00 0.00 57.03 56.82 3i9b h ASP 60 Cb 0.23 -0.12 -0.01 0.00 -0.00 0.00 0.00 39.33 39.43 3i9b h ASP 60 CO -0.08 0.51 -0.70 0.25 -0.00 0.00 0.00 179.24 179.22 3i9b h LEU 61 N 0.46 0.22 0.02 2.28 5.85 -0.42 -3.02 115.31 120.70 3i9b h LEU 61 Ca 0.10 -0.15 -0.00 0.00 0.84 0.00 0.00 57.88 58.67 3i9b h LEU 61 Cb 0.31 -0.07 0.00 0.00 0.37 0.00 0.00 40.66 41.27 3i9b h LEU 61 CO 0.01 0.85 -0.01 0.00 -0.34 0.00 0.00 178.44 178.95 3i9b h ALA 62 N 1.14 -0.08 0.00 1.25 0.00 0.18 0.14 119.26 121.89 3i9b h ALA 62 Ca -0.02 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.88 3i9b h ALA 62 Cb 1.25 0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.05 3i9b h ALA 62 CO 0.11 -0.08 0.00 -1.33 0.00 0.00 0.00 179.25 177.94 3i9b n MET 63 N -2.90 0.00 -0.57 0.00 2.81 0.65 0.14 117.12 117.25 3i9b n MET 63 Ca -0.00 0.00 0.05 0.00 -1.81 0.00 0.00 57.70 55.94 3i9b n MET 63 Cb 0.01 -1.00 0.09 0.00 -0.71 0.00 0.00 33.22 31.61 3i9b n MET 63 CO 0.00 0.00 0.00 -2.13 1.51 0.00 0.00 175.97 175.35 3i9b n ARG 64 N -0.36 0.69 -3.86 0.03 0.63 -1.14 -4.98 116.66 107.68 3i9b n ARG 64 Ca 0.00 -2.10 -0.31 0.00 -0.92 0.00 0.00 57.85 54.52 3i9b n ARG 64 Cb 0.00 -0.92 0.01 0.00 0.45 0.00 0.00 32.46 31.99 3i9b n ARG 64 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 3i9b n GLY 65 N -0.56 -1.15 0.00 5.14 0.00 0.37 -4.95 105.19 104.03 3i9b n GLY 65 Ca 0.10 0.51 0.00 0.00 0.00 0.00 0.00 46.02 46.63 3i9b n GLY 65 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3i9b n GLY 66 N -1.80 3.22 2.82 -0.02 0.00 0.49 -5.02 105.19 104.87 3i9b n GLY 66 Ca -0.24 -2.02 -0.14 0.00 0.00 0.00 0.00 46.02 43.62 3i9b n GLY 66 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 3i9b s THR 67 N 1.89 -0.45 0.06 2.61 -1.32 -1.26 -4.96 115.64 112.21 3i9b s THR 67 Ca 0.00 -0.12 -0.07 0.00 -1.21 0.00 0.00 61.69 60.29 3i9b s THR 67 Cb 0.00 -0.75 -0.05 0.00 -1.51 0.00 0.00 72.50 70.18 3i9b s THR 67 CO 0.00 -0.18 0.33 -0.63 -2.21 0.00 0.00 174.62 171.93 3i9b s ILE 68 N 2.42 5.21 -0.13 5.08 1.09 -1.26 -2.08 121.20 131.53 3i9b s ILE 68 Ca 0.09 0.21 0.00 0.00 -1.10 0.00 0.00 60.65 59.86 3i9b s ILE 68 Cb -0.15 -3.61 0.02 0.00 -1.06 0.00 0.00 42.46 37.66 3i9b s ILE 68 CO -0.15 0.26 -0.13 -0.22 -0.10 0.00 0.00 174.94 174.61 3i9b s LEU 69 N -2.02 1.57 0.08 2.97 1.98 -1.17 -3.79 118.68 118.29 3i9b s LEU 69 Ca 0.32 -0.42 0.02 0.00 -2.89 0.00 0.00 54.13 51.16 3i9b s LEU 69 Cb -0.13 -1.07 -0.04 0.00 0.66 0.00 0.00 46.19 45.61 3i9b s LEU 69 CO 0.19 -0.05 0.11 -0.36 -1.89 0.00 0.00 176.35 174.34 3i9b s PHE 70 N 1.41 3.26 -0.05 5.38 0.40 -1.16 0.21 117.98 127.43 3i9b s PHE 70 Ca 0.02 0.11 0.01 0.00 -0.60 0.00 0.00 56.93 56.47 3i9b s PHE 70 Cb -0.13 -1.65 0.02 0.00 0.51 0.00 0.00 43.02 41.77 3i9b s PHE 70 CO -0.08 0.54 -0.04 0.08 0.70 0.00 0.00 175.22 176.42 3i9b s VAL 71 N -1.42 0.53 -0.50 -0.44 1.01 0.06 -1.77 120.40 117.87 3i9b s VAL 71 Ca 0.30 -0.11 0.07 0.00 0.00 0.00 0.00 61.98 62.24 3i9b s VAL 71 Cb -0.12 -0.57 0.19 0.00 0.00 0.00 0.00 36.38 35.88 3i9b s VAL 71 CO 0.23 0.23 0.67 -0.83 0.00 0.00 0.00 175.10 175.41 3i9b s GLY 72 N 0.98 -0.94 -0.19 4.51 0.00 -0.84 -3.18 107.32 107.67 3i9b s GLY 72 Ca -0.10 -0.67 0.09 0.00 0.00 0.00 0.00 44.72 44.04 3i9b s GLY 72 CO -0.00 3.46 1.42 -1.30 0.00 0.00 0.00 173.10 176.68 3i9b n THR 73 N 2.98 2.04 0.00 0.90 -2.24 -1.26 -4.26 114.28 112.44 3i9b n THR 73 Ca 0.19 -1.04 0.00 0.00 -2.27 0.00 0.00 64.05 60.93 3i9b n THR 73 Cb 0.55 -0.38 0.00 0.00 -2.10 0.00 0.00 70.33 68.40 3i9b n THR 73 CO 0.00 0.00 0.00 1.17 -0.57 0.00 0.00 175.07 175.67 3i9b n LYS 74 N 0.30 0.00 0.00 -0.78 3.00 -1.26 -4.85 118.16 114.56 3i9b n LYS 74 Ca 0.23 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.54 3i9b n LYS 74 Cb 0.98 0.00 0.00 0.00 0.00 0.00 0.00 35.03 36.01 3i9b n LYS 74 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.40 178.57 3i9b n LYS 75 N 0.00 0.00 -0.03 1.64 0.00 -1.26 -4.64 118.16 113.87 3i9b n LYS 75 Ca 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 58.31 58.25 3i9b n LYS 75 Cb 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 35.03 34.89 3i9b n LYS 75 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.40 178.34 3i9b n GLN 76 N -0.10 0.65 -0.00 1.64 -0.06 -1.26 -4.12 117.38 114.13 3i9b n GLN 76 Ca 0.00 0.17 0.05 0.00 -2.00 0.00 0.00 57.00 55.22 3i9b n GLN 76 Cb 0.00 -1.71 -0.06 0.00 -4.06 0.00 0.00 30.24 24.41 3i9b n GLN 76 CO 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 177.06 176.86 3i9b n ALA 77 N -2.56 3.21 -0.16 1.69 0.00 -1.26 -4.61 120.51 116.82 3i9b n ALA 77 Ca -0.19 -0.29 -0.02 0.00 0.00 0.00 0.00 53.44 52.93 3i9b n ALA 77 Cb 1.02 -0.38 0.05 0.00 0.00 0.00 0.00 19.45 20.14 3i9b n ALA 77 CO 0.00 0.00 0.00 0.37 0.00 0.00 0.00 177.50 177.87 3i9b h GLN 78 N 0.00 0.09 0.79 0.00 4.15 -1.74 -2.91 115.11 115.48 3i9b h GLN 78 Ca 0.00 -0.01 -0.04 0.00 0.77 0.00 0.00 58.65 59.38 3i9b h GLN 78 Cb 0.29 -0.02 0.01 0.00 0.21 0.00 0.00 27.48 27.96 3i9b h GLN 78 CO 0.00 0.06 -0.38 -0.44 -1.93 0.00 0.00 178.83 176.14 3i9b h ASP 79 N 0.09 -0.90 0.00 -0.69 3.32 -1.81 -3.15 116.42 113.28 3i9b h ASP 79 Ca 0.25 0.02 0.00 0.00 0.02 0.00 0.00 57.03 57.32 3i9b h ASP 79 Cb 0.38 0.23 0.00 0.00 0.22 0.00 0.00 39.33 40.16 3i9b h ASP 79 CO -0.43 -0.55 0.12 2.30 -1.72 0.00 0.00 179.24 178.96 3i9b n ILE 80 N -5.49 1.02 0.00 0.35 -6.64 -1.20 -2.59 119.36 104.81 3i9b n ILE 80 Ca -0.14 0.69 0.00 0.00 -1.77 0.00 0.00 62.75 61.54 3i9b n ILE 80 Cb 0.42 -1.69 0.00 0.00 -1.44 0.00 0.00 39.64 36.93 3i9b n ILE 80 CO 0.00 0.00 0.00 0.52 -1.77 0.00 0.00 176.55 175.30 3i9b n VAL 81 N -2.02 0.00 -0.31 7.28 0.31 -1.11 -2.89 118.33 119.58 3i9b n VAL 81 Ca -0.01 0.50 0.35 0.00 -0.01 0.00 0.00 64.34 65.16 3i9b n VAL 81 Cb 0.14 -1.49 0.64 0.00 -0.91 0.00 0.00 33.84 32.22 3i9b n VAL 81 CO 0.00 0.00 0.00 0.08 -1.32 0.00 0.00 176.83 175.59 3i9b h ARG 82 N 0.00 0.00 0.05 5.55 0.11 -1.50 0.69 114.38 119.28 3i9b h ARG 82 Ca 0.00 0.00 -0.10 0.00 0.10 0.00 0.00 59.98 59.98 3i9b h ARG 82 Cb 0.00 0.00 0.01 0.00 1.11 0.00 0.00 29.97 31.09 3i9b h ARG 82 CO 0.00 0.00 -0.42 1.98 0.10 0.00 0.00 179.97 181.63 3i9b h MET 83 N 0.00 0.20 -0.76 0.08 4.05 -1.64 -3.28 114.93 113.57 3i9b h MET 83 Ca 0.57 -0.28 -0.03 0.00 -0.28 0.00 0.00 59.70 59.69 3i9b h MET 83 Cb 2.74 0.09 -0.04 0.00 -0.80 0.00 0.00 31.60 33.60 3i9b h MET 83 CO -0.01 1.07 0.38 0.93 0.23 0.00 0.00 176.91 179.51 3i9b h GLU 84 N -0.54 1.10 -0.46 0.39 4.39 0.51 -2.49 114.58 117.48 3i9b h GLU 84 Ca -0.07 -0.16 -0.08 0.00 0.34 0.00 0.00 59.36 59.40 3i9b h GLU 84 Cb 1.25 -0.20 -0.02 0.00 -0.10 0.00 0.00 28.75 29.68 3i9b h GLU 84 CO 0.08 0.85 -0.02 0.00 -1.16 0.00 0.00 179.01 178.75 3i9b h ALA 85 N 1.19 1.10 0.05 3.43 0.00 -1.57 -2.04 119.26 121.42 3i9b h ALA 85 Ca 0.26 -0.27 0.02 0.00 0.00 0.00 0.00 54.91 54.93 3i9b h ALA 85 Cb 0.11 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 17.68 3i9b h ALA 85 CO -0.03 0.57 -0.22 0.93 0.00 0.00 0.00 179.25 180.50 3i9b h GLU 86 N 0.71 -0.35 -2.11 0.00 4.39 -1.55 1.03 114.58 116.68 3i9b h GLU 86 Ca 0.14 0.02 -0.02 0.00 0.34 0.00 0.00 59.36 59.84 3i9b h GLU 86 Cb 0.47 0.08 -0.01 0.00 -0.10 0.00 0.00 28.75 29.20 3i9b h GLU 86 CO 0.02 -0.24 0.02 -2.13 -1.16 0.00 0.00 179.01 175.53 3i9b n ARG 87 N -5.34 0.54 0.00 2.33 0.00 -0.77 -2.40 116.66 111.02 3i9b n ARG 87 Ca -0.06 -0.09 0.00 0.00 -0.00 0.00 0.00 57.85 57.70 3i9b n ARG 87 Cb 0.25 -1.37 0.00 0.00 0.00 0.00 0.00 32.46 31.35 3i9b n ARG 87 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 3i9b n ALA 88 N 1.98 0.00 -0.39 5.13 0.00 -0.52 -4.96 120.51 121.76 3i9b n ALA 88 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.48 3i9b n ALA 88 Cb 0.26 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.71 3i9b n ALA 88 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3i9b n GLY 89 N -1.30 1.57 2.22 0.00 0.00 0.34 -5.05 105.19 102.97 3i9b n GLY 89 Ca 0.00 -0.19 -0.12 0.00 0.00 0.00 0.00 46.02 45.72 3i9b n GLY 89 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 3i9b n MET 90 N -1.14 0.81 -2.98 1.61 2.81 -1.18 -5.06 117.12 111.99 3i9b n MET 90 Ca 0.00 -1.80 -0.21 0.00 -1.81 0.00 0.00 57.70 53.88 3i9b n MET 90 Cb 0.09 -0.09 0.02 0.00 -0.71 0.00 0.00 33.22 32.53 3i9b n MET 90 CO 0.00 0.00 0.00 -2.14 1.51 0.00 0.00 175.97 175.34 3i9b s PRO 91 N -3.47 2.89 0.00 0.03 0.02 -1.25 -4.84 135.00 128.39 3i9b s PRO 91 Ca 0.32 -0.77 0.00 0.00 0.02 0.00 0.00 61.00 60.57 3i9b s PRO 91 Cb -0.03 -2.61 0.00 0.00 0.02 0.00 0.00 34.50 31.88 3i9b s PRO 91 CO 0.20 -0.34 0.00 2.48 -0.33 0.00 0.00 177.00 179.02 3i9b n TYR 92 N -2.04 -0.28 -3.70 6.54 -0.00 0.44 -2.98 117.16 115.13 3i9b n TYR 92 Ca 0.04 0.00 -0.11 0.00 -0.00 0.00 0.00 57.90 57.83 3i9b n TYR 92 Cb 0.58 0.00 -0.10 0.00 -0.00 0.00 0.00 39.34 39.82 3i9b n TYR 92 CO 0.00 0.00 0.00 0.08 -0.00 0.00 0.00 176.86 176.94 3i9b s VAL 93 N -2.28 -0.02 0.00 -3.48 1.01 -0.73 -4.10 120.40 110.80 3i9b s VAL 93 Ca 0.00 0.06 0.00 0.00 0.00 0.00 0.00 61.98 62.04 3i9b s VAL 93 Cb 0.00 -0.61 0.00 0.00 0.00 0.00 0.00 36.38 35.77 3i9b s VAL 93 CO 0.00 0.03 0.00 -3.20 0.00 0.00 0.00 175.10 171.93 3i9b n ASN 94 N 3.82 1.00 -3.99 3.32 5.15 -1.26 -1.99 115.26 121.30 3i9b n ASN 94 Ca -0.20 -0.26 -0.18 0.00 -0.60 0.00 0.00 54.58 53.34 3i9b n ASN 94 Cb 0.56 0.72 0.01 0.00 -0.53 0.00 0.00 39.78 40.53 3i9b n ASN 94 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 3i9b n GLN 95 N -0.82 0.89 -1.53 1.20 1.13 -1.26 -4.55 117.38 112.45 3i9b n GLN 95 Ca 0.00 -2.38 -0.13 0.00 -1.94 0.00 0.00 57.00 52.55 3i9b n GLN 95 Cb 0.00 0.20 -0.10 0.00 0.11 0.00 0.00 30.24 30.45 3i9b n GLN 95 CO 0.00 0.00 0.00 0.54 -1.44 0.00 0.00 177.06 176.16 3i9b n ARG 96 N -1.47 0.19 -0.70 -1.09 1.74 -1.26 -4.69 116.66 109.38 3i9b n ARG 96 Ca 0.00 -1.32 -0.17 0.00 -0.77 0.00 0.00 57.85 55.59 3i9b n ARG 96 Cb 0.44 -3.58 -0.08 0.00 -1.02 0.00 0.00 32.46 28.22 3i9b n ARG 96 CO 0.00 0.00 0.00 1.87 -1.52 0.00 0.00 177.63 177.98 3i9b n TRP 97 N 18.17 0.21 -0.70 -1.55 -0.00 -1.26 -4.83 117.44 127.48 3i9b n TRP 97 Ca 0.40 0.14 -0.32 0.00 -0.00 0.00 0.00 57.50 57.73 3i9b n TRP 97 Cb 0.45 -0.94 0.16 0.00 -0.00 0.00 0.00 31.31 30.98 3i9b n TRP 97 CO 0.00 0.00 0.00 1.28 -0.00 0.00 0.00 177.69 178.97 3i9b n LEU 98 N 4.46 -0.27 -4.80 5.87 4.77 -1.26 -4.95 117.00 120.82 3i9b n LEU 98 Ca 0.31 0.16 -0.38 0.00 -0.03 0.00 0.00 56.01 56.08 3i9b n LEU 98 Cb 0.02 -1.20 -0.06 0.00 -2.33 0.00 0.00 43.42 39.85 3i9b n LEU 98 CO 0.46 -3.18 0.07 -0.83 -1.33 0.00 0.00 177.39 172.57 3i9b s GLY 99 N -2.14 2.39 0.00 -0.72 0.00 -1.26 -3.98 107.32 101.61 3i9b s GLY 99 Ca 0.60 -0.29 0.00 0.00 0.00 0.00 0.00 44.72 45.03 3i9b s GLY 99 CO 0.65 0.27 0.00 0.61 0.00 0.00 0.00 173.10 174.63 3i9b n GLY 100 N 2.38 1.23 0.00 0.20 0.00 -1.26 -4.96 105.19 102.78 3i9b n GLY 100 Ca -0.13 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.89 3i9b n GLY 100 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 3i9b n MET 101 N -1.40 0.00 0.00 1.61 0.00 -1.26 -0.68 117.12 115.40 3i9b n MET 101 Ca 0.00 0.34 0.00 0.00 0.00 0.00 0.00 57.70 58.04 3i9b n MET 101 Cb 0.00 -0.57 0.00 0.00 0.00 0.00 0.00 33.22 32.65 3i9b n MET 101 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 175.97 177.25 3i9b n LEU 102 N -1.46 0.00 0.00 4.03 4.32 -1.26 -3.42 117.00 119.21 3i9b n LEU 102 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 56.01 55.99 3i9b n LEU 102 Cb 0.00 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 41.80 3i9b n LEU 102 CO 0.00 0.00 0.00 0.41 -1.22 0.00 0.00 177.39 176.58 3i9b n THR 103 N 0.00 0.00 -2.16 -5.08 -1.04 -1.25 0.17 114.28 104.93 3i9b n THR 103 Ca 0.00 0.00 -0.42 0.00 -2.04 0.00 0.00 64.05 61.59 3i9b n THR 103 Cb 0.00 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 68.51 3i9b n THR 103 CO 0.00 0.00 0.00 -3.20 -0.64 0.00 0.00 175.07 171.23 3i9b n ASN 104 N 0.00 4.88 -0.04 8.00 5.15 0.15 -4.69 115.26 128.71 3i9b n ASN 104 Ca 0.00 -3.04 -0.13 0.00 -0.60 0.00 0.00 54.58 50.81 3i9b n ASN 104 Cb 0.00 -1.52 -0.11 0.00 -0.53 0.00 0.00 39.78 37.62 3i9b n ASN 104 CO 0.00 0.00 0.00 0.15 1.40 0.00 0.00 177.26 178.81 3i9b h PHE 105 N 5.76 -0.02 -0.14 1.20 3.57 0.20 -2.53 116.94 124.98 3i9b h PHE 105 Ca 0.45 -0.00 0.04 0.00 3.53 0.00 0.00 57.97 61.99 3i9b h PHE 105 Cb 0.62 0.01 -0.01 0.00 2.79 0.00 0.00 35.95 39.36 3i9b h PHE 105 CO 1.32 0.71 0.16 -0.22 -2.23 0.00 0.00 178.31 178.06 3i9b h LYS 106 N -0.81 0.00 0.00 1.11 3.11 -1.84 -0.92 116.57 117.22 3i9b h LYS 106 Ca -0.00 0.00 -0.24 0.00 -2.81 0.00 0.00 60.65 57.60 3i9b h LYS 106 Cb 0.74 0.00 -0.04 0.00 -1.00 0.00 0.00 32.23 31.93 3i9b h LYS 106 CO 0.00 0.00 -2.17 2.41 -2.81 0.00 0.00 179.45 176.89 3i9b n THR 107 N -3.78 0.96 0.82 1.00 -1.04 -1.25 -3.50 114.28 107.49 3i9b n THR 107 Ca 0.01 -0.73 0.13 0.00 -2.04 0.00 0.00 64.05 61.41 3i9b n THR 107 Cb 0.28 -0.36 0.52 0.00 -1.82 0.00 0.00 70.33 68.95 3i9b n THR 107 CO 0.00 0.00 0.00 -0.38 -0.64 0.00 0.00 175.07 174.05 3i9b n ILE 108 N -2.62 0.29 0.94 12.58 2.08 -0.93 -2.79 119.36 128.90 3i9b n ILE 108 Ca -0.22 -0.09 0.10 0.00 0.56 0.00 0.00 62.75 63.10 3i9b n ILE 108 Cb 0.95 -0.57 -0.02 0.00 -0.75 0.00 0.00 39.64 39.25 3i9b n ILE 108 CO 0.00 0.00 0.00 -1.20 0.56 0.00 0.00 176.55 175.91 3i9b n SER 109 N -1.81 1.81 0.21 4.38 7.64 -0.39 -3.94 113.62 121.52 3i9b n SER 109 Ca 0.06 -1.41 0.15 0.00 1.01 0.00 0.00 58.87 58.68 3i9b n SER 109 Cb 0.37 0.55 0.58 0.00 -1.01 0.00 0.00 64.21 64.69 3i9b n SER 109 CO 0.00 0.00 0.00 1.56 -3.01 0.00 0.00 175.04 173.59 3i9b h GLN 110 N 2.00 0.00 -0.68 1.43 4.20 -1.56 -1.30 115.11 119.20 3i9b h GLN 110 Ca 0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 3i9b h GLN 110 Cb 0.68 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.46 3i9b h GLN 110 CO 0.00 0.00 0.00 0.54 -0.67 0.00 0.00 178.83 178.70 3i9b n ARG 111 N -2.74 2.79 -0.01 1.46 5.12 -1.25 -3.85 116.66 118.18 3i9b n ARG 111 Ca 0.02 -2.50 0.05 0.00 -1.93 0.00 0.00 57.85 53.48 3i9b n ARG 111 Cb 0.29 -1.60 -0.13 0.00 -1.16 0.00 0.00 32.46 29.86 3i9b n ARG 111 CO 0.00 0.00 0.00 0.28 -1.93 0.00 0.00 177.63 175.98 3i9b n VAL 112 N 1.40 0.55 0.12 1.55 0.31 -0.49 -4.08 118.33 117.69 3i9b n VAL 112 Ca 0.23 -0.61 -0.23 0.00 -0.01 0.00 0.00 64.34 63.72 3i9b n VAL 112 Cb 0.63 -0.24 -0.14 0.00 -0.91 0.00 0.00 33.84 33.18 3i9b n VAL 112 CO 0.00 0.00 0.00 0.45 -1.32 0.00 0.00 176.83 175.96 3i9b h HIS 113 N 0.00 0.95 0.00 3.52 3.86 -1.66 -3.00 115.15 118.81 3i9b h HIS 113 Ca -0.14 -0.65 0.00 0.00 -1.16 0.00 0.00 60.37 58.42 3i9b h HIS 113 Cb 1.36 -0.06 0.00 0.00 1.06 0.00 0.00 27.41 29.77 3i9b h HIS 113 CO 0.00 1.50 0.00 -2.13 0.86 0.00 0.00 177.93 178.16 3i9b n ARG 114 N -3.73 0.28 -0.01 2.45 0.00 -1.25 -0.76 116.66 113.63 3i9b n ARG 114 Ca -0.15 0.00 -0.00 0.00 -0.00 0.00 0.00 57.85 57.70 3i9b n ARG 114 Cb 1.05 -1.45 -0.00 0.00 0.00 0.00 0.00 32.46 32.06 3i9b n ARG 114 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.63 177.52 3i9b n LEU 115 N -0.95 0.15 -0.17 6.15 7.94 -1.14 -3.93 117.00 125.06 3i9b n LEU 115 Ca 0.06 0.22 0.23 0.00 -1.11 0.00 0.00 56.01 55.41 3i9b n LEU 115 Cb 0.03 -0.53 0.64 0.00 0.53 0.00 0.00 43.42 44.09 3i9b n LEU 115 CO 0.04 -0.49 1.23 1.05 -1.11 0.00 0.00 177.39 178.11 3i9b h GLU 116 N -0.08 0.15 -0.72 1.96 4.11 -1.47 0.81 114.58 119.34 3i9b h GLU 116 Ca 0.00 -0.01 0.04 0.00 0.07 0.00 0.00 59.36 59.46 3i9b h GLU 116 Cb 0.05 -0.03 -0.05 0.00 0.50 0.00 0.00 28.75 29.22 3i9b h GLU 116 CO 0.00 0.10 0.45 1.49 0.07 0.00 0.00 179.01 181.12 3i9b h GLU 117 N 0.16 0.83 0.00 1.06 4.57 -1.15 0.61 114.58 120.65 3i9b h GLU 117 Ca 0.41 -0.05 -0.06 0.00 -1.18 0.00 0.00 59.36 58.48 3i9b h GLU 117 Cb 1.38 -0.19 -0.01 0.00 -0.16 0.00 0.00 28.75 29.77 3i9b h GLU 117 CO -0.07 0.55 -0.29 -0.07 -1.18 0.00 0.00 179.01 177.95 3i9b h LEU 118 N 0.86 0.00 0.00 1.64 3.38 0.48 -0.72 115.31 120.94 3i9b h LEU 118 Ca 0.30 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.27 3i9b h LEU 118 Cb 0.06 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.81 3i9b h LEU 118 CO -0.13 0.29 -0.15 1.21 0.09 0.00 0.00 178.44 179.75 3i9b n GLU 119 N -3.99 0.19 -0.26 1.13 4.07 0.42 -2.34 120.64 119.87 3i9b n GLU 119 Ca -0.02 0.13 0.03 0.00 -0.06 0.00 0.00 57.16 57.24 3i9b n GLU 119 Cb 0.35 -1.70 0.13 0.00 -0.06 0.00 0.00 31.44 30.17 3i9b n GLU 119 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 3i9b n ALA 120 N -1.71 2.86 -0.05 4.31 0.00 0.18 -3.13 120.51 122.97 3i9b n ALA 120 Ca 0.05 -0.58 0.00 0.00 0.00 0.00 0.00 53.44 52.91 3i9b n ALA 120 Cb 0.41 -1.03 0.00 0.00 0.00 0.00 0.00 19.45 18.83 3i9b n ALA 120 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 3i9b n LEU 121 N 0.20 0.00 0.00 0.00 4.77 -1.04 -4.78 117.00 116.15 3i9b n LEU 121 Ca 0.09 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.07 3i9b n LEU 121 Cb 0.49 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.58 3i9b n LEU 121 CO 0.10 0.00 0.20 0.33 -1.33 0.00 0.00 177.39 176.69 3i9b n PHE 122 N 0.00 0.00 -1.15 -1.77 7.35 -0.99 -4.01 117.46 116.89 3i9b n PHE 122 Ca 0.00 0.00 -0.28 0.00 -0.76 0.00 0.00 57.45 56.41 3i9b n PHE 122 Cb 0.00 -0.29 0.07 0.00 0.35 0.00 0.00 39.48 39.61 3i9b n PHE 122 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 3i9b n ALA 123 N -1.38 5.85 -2.47 3.13 0.00 -1.26 -4.93 120.51 119.46 3i9b n ALA 123 Ca 0.00 -2.82 -0.23 0.00 0.00 0.00 0.00 53.44 50.39 3i9b n ALA 123 Cb 0.00 -1.62 -0.10 0.00 0.00 0.00 0.00 19.45 17.73 3i9b n ALA 123 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 3i9b s SER 124 N -1.13 2.94 0.00 0.00 0.15 -1.26 -5.10 113.70 109.30 3i9b s SER 124 Ca 0.53 -1.24 0.00 0.00 0.70 0.00 0.00 55.95 55.94 3i9b s SER 124 Cb 0.42 -0.20 0.00 0.00 -1.71 0.00 0.00 66.02 64.53 3i9b s SER 124 CO 0.00 -0.38 0.00 -0.81 1.20 0.00 0.00 173.24 173.25 3i9b n PRO 125 N -0.67 0.00 0.00 5.44 -0.04 -1.26 -4.51 135.00 133.96 3i9b n PRO 125 Ca -0.05 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.41 3i9b n PRO 125 Cb 0.64 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 34.10 3i9b n PRO 125 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 3i9b n GLU 126 N 0.00 0.00 0.00 0.54 1.02 -1.26 -3.30 120.64 117.63 3i9b n GLU 126 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.14 3i9b n GLU 126 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.42 3i9b n GLU 126 CO 0.00 0.00 0.00 -0.89 1.18 0.00 0.00 177.13 177.42 3i9b n ILE 127 N 0.00 0.00 -0.08 -3.67 2.08 -1.26 0.90 119.36 117.33 3i9b n ILE 127 Ca 0.00 0.00 -0.07 0.00 0.56 0.00 0.00 62.75 63.24 3i9b n ILE 127 Cb 0.00 0.00 -0.00 0.00 -0.75 0.00 0.00 39.64 38.89 3i9b n ILE 127 CO 0.00 0.00 0.00 -0.08 0.56 0.00 0.00 176.55 177.03 3i9b h GLU 128 N 0.00 -0.08 -0.26 0.38 4.57 -1.88 0.66 114.58 117.97 3i9b h GLU 128 Ca 0.00 0.01 0.00 0.00 -1.18 0.00 0.00 59.36 58.19 3i9b h GLU 128 Cb 0.00 0.02 0.00 0.00 -0.16 0.00 0.00 28.75 28.61 3i9b h GLU 128 CO 0.00 -0.05 0.00 -1.91 -1.18 0.00 0.00 179.01 175.87 3i9b n GLU 129 N -5.31 0.48 -3.80 1.92 0.00 0.26 -4.23 120.64 109.96 3i9b n GLU 129 Ca 0.00 0.00 -0.35 0.00 0.00 0.00 0.00 57.16 56.82 3i9b n GLU 129 Cb 0.22 -1.13 -0.11 0.00 0.00 0.00 0.00 31.44 30.42 3i9b n GLU 129 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.13 178.16 3i9b s ARG 130 N -1.45 2.28 0.00 5.31 1.81 0.23 -5.09 118.95 122.04 3i9b s ARG 130 Ca 0.00 -2.40 0.00 0.00 -1.72 0.00 0.00 55.73 51.61 3i9b s ARG 130 Cb 0.00 -3.58 0.00 0.00 -0.45 0.00 0.00 34.95 30.92 3i9b s ARG 130 CO 0.00 -1.13 0.00 -0.35 -0.68 0.00 0.00 175.30 173.14 3i9b n PRO 131 N 3.62 1.66 -0.07 3.54 -0.04 -1.26 -4.76 135.00 137.68 3i9b n PRO 131 Ca 0.05 0.00 -0.06 0.00 -0.04 0.00 0.00 63.50 63.46 3i9b n PRO 131 Cb 0.37 0.00 0.05 0.00 -0.04 0.00 0.00 33.50 33.89 3i9b n PRO 131 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 3i9b n LYS 132 N 0.00 -1.90 0.00 0.54 4.76 -1.26 -3.80 118.16 116.50 3i9b n LYS 132 Ca 0.00 -0.27 0.00 0.00 -2.87 0.00 0.00 58.31 55.17 3i9b n LYS 132 Cb 0.00 -0.38 0.00 0.00 -1.84 0.00 0.00 35.03 32.81 3i9b n LYS 132 CO 0.00 0.00 0.00 1.63 -1.37 0.00 0.00 177.40 177.66 3i9b n LYS 133 N -2.29 0.00 -0.27 1.97 4.76 -1.26 -3.78 118.16 117.30 3i9b n LYS 133 Ca 0.03 0.00 0.24 0.00 -2.87 0.00 0.00 58.31 55.70 3i9b n LYS 133 Cb 0.11 0.00 0.41 0.00 -1.84 0.00 0.00 35.03 33.71 3i9b n LYS 133 CO 0.00 0.00 0.00 0.39 -1.37 0.00 0.00 177.40 176.42 3i9b n GLU 134 N 0.00 -0.03 0.15 1.97 -0.58 -1.26 0.15 120.64 121.04 3i9b n GLU 134 Ca 0.00 0.82 -0.13 0.00 -0.42 0.00 0.00 57.16 57.43 3i9b n GLU 134 Cb 0.00 -1.57 -0.07 0.00 -0.57 0.00 0.00 31.44 29.24 3i9b n GLU 134 CO 0.00 0.00 0.00 -0.56 -0.48 0.00 0.00 177.13 176.09 3i9b h GLN 135 N 0.00 -0.42 -0.04 3.49 3.07 -1.66 0.31 115.11 119.86 3i9b h GLN 135 Ca 0.55 0.03 0.00 0.00 0.09 0.00 0.00 58.65 59.32 3i9b h GLN 135 Cb 1.68 0.10 0.00 0.00 0.08 0.00 0.00 27.48 29.33 3i9b h GLN 135 CO -0.36 -0.28 0.00 0.28 0.09 0.00 0.00 178.83 178.56 3i9b n VAL 136 N -5.32 0.04 -0.09 1.86 0.31 0.39 -2.11 118.33 113.40 3i9b n VAL 136 Ca -0.08 -0.11 -0.14 0.00 -0.01 0.00 0.00 64.34 64.00 3i9b n VAL 136 Cb 0.24 -0.08 -0.05 0.00 -0.91 0.00 0.00 33.84 33.04 3i9b n VAL 136 CO 0.00 0.00 0.00 -1.14 -1.32 0.00 0.00 176.83 174.37 3i9b n ARG 137 N -0.46 0.51 0.15 5.55 0.63 -0.59 -3.77 116.66 118.67 3i9b n ARG 137 Ca 0.18 0.21 0.04 0.00 -0.92 0.00 0.00 57.85 57.35 3i9b n ARG 137 Cb 0.18 -1.38 0.44 0.00 0.45 0.00 0.00 32.46 32.15 3i9b n ARG 137 CO 0.00 0.00 0.00 -0.07 -2.51 0.00 0.00 177.63 175.05 3i9b h LEU 138 N -0.93 0.17 0.00 6.15 3.38 -0.55 -0.85 115.31 122.68 3i9b h LEU 138 Ca -0.18 -0.03 0.00 0.00 0.09 0.00 0.00 57.88 57.76 3i9b h LEU 138 Cb 1.10 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 41.81 3i9b h LEU 138 CO -0.11 0.30 0.00 1.17 0.09 0.00 0.00 178.44 179.89 3i9b n LYS 139 N -4.32 0.00 -0.37 1.13 4.81 -0.90 -0.89 118.16 117.62 3i9b n LYS 139 Ca -0.01 0.45 -0.10 0.00 -0.87 0.00 0.00 58.31 57.78 3i9b n LYS 139 Cb 0.23 -1.33 -0.09 0.00 0.02 0.00 0.00 35.03 33.87 3i9b n LYS 139 CO 0.00 0.00 0.00 0.72 1.17 0.00 0.00 177.40 179.29 3i9b n HIS 140 N -1.68 -0.38 0.00 5.64 8.25 -1.13 -2.06 115.22 123.85 3i9b n HIS 140 Ca 0.00 1.09 0.00 0.00 -0.26 0.00 0.00 57.72 58.55 3i9b n HIS 140 Cb 0.00 -0.57 0.00 0.00 1.12 0.00 0.00 29.99 30.54 3i9b n HIS 140 CO 0.00 0.00 0.00 -1.91 0.64 0.00 0.00 176.34 175.07 3i9b n GLU 141 N -5.04 0.00 -0.33 -0.41 2.13 -0.34 -1.51 120.64 115.14 3i9b n GLU 141 Ca 0.02 0.07 0.27 0.00 0.66 0.00 0.00 57.16 58.18 3i9b n GLU 141 Cb 0.23 -0.45 0.50 0.00 0.27 0.00 0.00 31.44 31.99 3i9b n GLU 141 CO 0.00 0.00 0.00 1.25 -0.41 0.00 0.00 177.13 177.97 3i9b h LEU 142 N 0.00 0.16 -0.82 4.31 6.46 -0.87 0.63 115.31 125.18 3i9b h LEU 142 Ca 0.00 0.25 0.10 0.00 -0.12 0.00 0.00 57.88 58.11 3i9b h LEU 142 Cb 0.00 0.30 -0.12 0.00 -0.73 0.00 0.00 40.66 40.11 3i9b h LEU 142 CO 0.00 -0.37 -0.51 -0.08 -0.62 0.00 0.00 178.44 176.86 3i9b h GLU 143 N 0.05 -0.10 0.62 1.25 4.81 -0.68 0.73 114.58 121.25 3i9b h GLU 143 Ca 0.77 0.01 -0.03 0.00 -0.13 0.00 0.00 59.36 59.98 3i9b h GLU 143 Cb 1.92 0.02 0.01 0.00 0.63 0.00 0.00 28.75 31.33 3i9b h GLU 143 CO -0.78 -0.07 -0.30 -0.09 -0.73 0.00 0.00 179.01 177.04 3i9b h ARG 144 N -0.11 -0.80 -0.62 1.92 2.43 -0.67 -2.43 114.38 114.10 3i9b h ARG 144 Ca 0.19 0.05 0.19 0.00 -0.81 0.00 0.00 59.98 59.61 3i9b h ARG 144 Cb 0.51 0.18 -0.12 0.00 -0.42 0.00 0.00 29.97 30.13 3i9b h ARG 144 CO -0.84 -0.49 0.09 -0.11 -1.51 0.00 0.00 179.97 177.11 3i9b n LEU 145 N -5.38 -0.00 0.11 3.80 -0.00 -0.19 -0.99 117.00 114.33 3i9b n LEU 145 Ca -0.12 1.06 -0.05 0.00 -0.00 0.00 0.00 56.01 56.89 3i9b n LEU 145 Cb 0.36 -0.41 -0.02 0.00 -0.00 0.00 0.00 43.42 43.34 3i9b n LEU 145 CO 0.33 -1.10 0.21 -0.61 -0.00 0.00 0.00 177.39 176.23 3i9b h GLN 146 N 0.00 -0.31 -0.87 1.96 4.15 0.64 -2.20 115.11 118.47 3i9b h GLN 146 Ca 0.41 0.02 0.18 0.00 0.77 0.00 0.00 58.65 60.04 3i9b h GLN 146 Cb 0.93 0.07 -0.16 0.00 0.21 0.00 0.00 27.48 28.52 3i9b h GLN 146 CO -0.56 -0.21 -0.19 1.63 -1.93 0.00 0.00 178.83 177.56 3i9b n LYS 147 N -3.83 -0.08 -0.00 1.69 4.01 -0.17 0.14 118.16 119.93 3i9b n LYS 147 Ca -0.04 1.35 -0.00 0.00 -0.51 0.00 0.00 58.31 59.11 3i9b n LYS 147 Cb 0.13 -2.03 -0.00 0.00 -0.51 0.00 0.00 35.03 32.62 3i9b n LYS 147 CO 0.00 0.00 0.00 1.88 -1.11 0.00 0.00 177.40 178.17 3i9b h TYR 148 N 0.00 -0.00 0.00 2.13 0.05 -1.59 -3.38 116.97 114.18 3i9b h TYR 148 Ca 0.43 -0.00 0.00 0.00 0.05 0.00 0.00 58.73 59.21 3i9b h TYR 148 Cb 0.68 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.42 3i9b h TYR 148 CO -0.65 -0.00 0.00 1.28 -1.05 0.00 0.00 178.16 177.74 3i9b n LEU 149 N -2.07 0.00 0.00 3.88 4.77 -0.83 -4.48 117.00 118.27 3i9b n LEU 149 Ca -0.00 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.98 3i9b n LEU 149 Cb 0.00 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.09 3i9b n LEU 149 CO 0.00 0.00 0.07 -0.24 -1.33 0.00 0.00 177.39 175.89 3i9b n SER 150 N -0.83 0.00 -1.24 -1.43 2.88 0.12 -1.60 113.62 111.52 3i9b n SER 150 Ca 0.05 0.14 -0.02 0.00 -1.33 0.00 0.00 58.87 57.72 3i9b n SER 150 Cb 0.02 0.00 0.01 0.00 -0.75 0.00 0.00 64.21 63.49 3i9b n SER 150 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 3i9b n GLY 151 N -0.30 2.35 0.00 0.46 0.00 -1.26 -2.78 105.19 103.66 3i9b n GLY 151 Ca 0.00 -0.10 0.02 0.00 0.00 0.00 0.00 46.02 45.94 3i9b n GLY 151 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 3i9b n PHE 152 N 0.72 0.00 -0.04 1.61 -0.00 -0.63 -0.42 117.46 118.71 3i9b n PHE 152 Ca 0.04 0.00 -0.11 0.00 -0.00 0.00 0.00 57.45 57.38 3i9b n PHE 152 Cb 0.55 -0.04 -0.05 0.00 -0.00 0.00 0.00 39.48 39.94 3i9b n PHE 152 CO 0.00 0.00 0.00 -0.09 -0.00 0.00 0.00 176.76 176.67 3i9b h ARG 153 N 0.00 0.24 0.00 -4.13 9.65 -1.23 -3.02 114.38 115.88 3i9b h ARG 153 Ca 0.00 -0.04 0.00 0.00 -1.10 0.00 0.00 59.98 58.84 3i9b h ARG 153 Cb 0.11 -0.04 0.00 0.00 -1.39 0.00 0.00 29.97 28.65 3i9b h ARG 153 CO 0.00 0.32 0.78 1.37 2.80 0.00 0.00 179.97 185.24 3i9b h LEU 154 N 0.10 0.00-10.46 3.80 -0.00 -1.83 -3.41 115.31 103.52 3i9b h LEU 154 Ca 0.05 0.00 -0.43 0.00 -0.00 0.00 0.00 57.88 57.50 3i9b h LEU 154 Cb 0.17 0.00 0.17 0.00 -0.00 0.00 0.00 40.66 41.00 3i9b h LEU 154 CO -0.00 0.00 0.21 -0.76 -0.00 0.00 0.00 178.44 177.88 3i9b s LEU 155 N -4.72 1.35 0.00 0.17 1.43 -1.14 -4.89 118.68 110.87 3i9b s LEU 155 Ca -0.01 0.76 0.00 0.00 -1.03 0.00 0.00 54.13 53.85 3i9b s LEU 155 Cb 0.02 -2.72 0.00 0.00 0.03 0.00 0.00 46.19 43.52 3i9b s LEU 155 CO 0.06 -3.49 0.00 1.17 0.23 0.00 0.00 176.35 174.32 3i9b n LYS 156 N -4.35 0.00 -4.11 1.70 3.00 -1.26 -5.13 118.16 108.00 3i9b n LYS 156 Ca 0.10 0.00 -0.09 0.00 -0.00 0.00 0.00 58.31 58.32 3i9b n LYS 156 Cb 0.59 0.00 -0.10 0.00 0.00 0.00 0.00 35.03 35.52 3i9b n LYS 156 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.40 177.90 3i9b s ARG 157 N 0.00 0.67 -0.30 1.64 3.52 -1.26 -5.11 118.95 118.10 3i9b s ARG 157 Ca 0.00 -1.16 -0.29 0.00 -0.13 0.00 0.00 55.73 54.15 3i9b s ARG 157 Cb 0.00 -0.04 -0.01 0.00 -1.56 0.00 0.00 34.95 33.34 3i9b s ARG 157 CO 0.00 -0.04 1.61 -0.48 -0.81 0.00 0.00 175.30 175.58 3i9b s LEU 158 N -2.68 3.69 0.16 -0.88 0.05 -1.26 -4.94 118.68 112.82 3i9b s LEU 158 Ca 0.05 1.31 -0.33 0.00 0.05 0.00 0.00 54.13 55.22 3i9b s LEU 158 Cb 0.03 -3.53 -0.16 0.00 -2.05 0.00 0.00 46.19 40.47 3i9b s LEU 158 CO -0.06 -1.44 1.02 -2.65 -0.55 0.00 0.00 176.35 172.68 3i9b n PRO 159 N 7.99 0.79 0.00 1.48 -0.02 -1.26 -4.83 135.00 139.15 3i9b n PRO 159 Ca 0.19 0.28 0.14 0.00 -2.02 0.00 0.00 63.50 62.10 3i9b n PRO 159 Cb 0.46 -1.68 0.82 0.00 -0.02 0.00 0.00 33.50 33.09 3i9b n PRO 159 CO 0.00 0.00 0.00 -3.47 1.98 0.00 0.00 175.50 174.01 3i9b n ASP 160 N 1.87 0.00 -2.20 2.55 2.03 -0.88 -4.88 116.55 115.03 3i9b n ASP 160 Ca 0.16 -0.73 -0.07 0.00 0.52 0.00 0.00 54.79 54.67 3i9b n ASP 160 Cb 0.23 -0.06 -0.00 0.00 -0.72 0.00 0.00 41.12 40.56 3i9b n ASP 160 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 3i9b n ALA 161 N -1.06 -0.67 -3.43 -1.67 0.00 -1.05 -4.00 120.51 108.61 3i9b n ALA 161 Ca 0.20 -0.92 0.01 0.00 0.00 0.00 0.00 53.44 52.73 3i9b n ALA 161 Cb 0.13 0.74 -0.03 0.00 0.00 0.00 0.00 19.45 20.28 3i9b n ALA 161 CO 0.00 0.00 0.00 0.96 0.00 0.00 0.00 177.50 178.46 3i9b s ILE 162 N -2.56 -0.94 -0.21 0.00 -4.36 -1.22 -3.07 121.20 108.85 3i9b s ILE 162 Ca 0.14 0.00 -0.04 0.00 -0.26 0.00 0.00 60.65 60.49 3i9b s ILE 162 Cb -0.02 -1.00 -0.01 0.00 1.25 0.00 0.00 42.46 42.68 3i9b s ILE 162 CO 0.10 0.00 -0.04 0.12 0.24 0.00 0.00 174.94 175.37 3i9b s PHE 163 N 2.85 2.97 0.14 1.37 2.19 0.55 -0.52 117.98 127.54 3i9b s PHE 163 Ca 0.04 -0.77 -0.00 0.00 0.33 0.00 0.00 56.93 56.52 3i9b s PHE 163 Cb -0.13 -2.08 -0.04 0.00 -1.31 0.00 0.00 43.02 39.46 3i9b s PHE 163 CO -0.19 -0.44 0.03 0.08 1.83 0.00 0.00 175.22 176.53 3i9b s VAL 164 N 1.27 0.30 0.00 3.12 1.01 -0.60 -0.76 120.40 124.74 3i9b s VAL 164 Ca 0.03 -1.93 0.00 0.00 0.00 0.00 0.00 61.98 60.09 3i9b s VAL 164 Cb -0.14 -2.04 0.00 0.00 0.00 0.00 0.00 36.38 34.20 3i9b s VAL 164 CO -0.01 -0.50 0.00 1.33 0.00 0.00 0.00 175.10 175.92 3i9b n VAL 165 N -0.13 0.00 -2.31 2.92 0.24 -1.19 0.13 118.33 117.99 3i9b n VAL 165 Ca -0.06 0.00 -0.41 0.00 -2.04 0.00 0.00 64.34 61.82 3i9b n VAL 165 Cb 0.63 -0.04 -0.03 0.00 -1.47 0.00 0.00 33.84 32.94 3i9b n VAL 165 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 3i9b s ASP 166 N -1.29 6.01 0.15 -1.34 3.68 -1.25 -3.06 116.67 119.56 3i9b s ASP 166 Ca 0.00 0.42 -0.22 0.00 2.13 0.00 0.00 52.55 54.87 3i9b s ASP 166 Cb 0.00 -2.54 0.02 0.00 -1.45 0.00 0.00 42.92 38.95 3i9b s ASP 166 CO 0.00 -1.78 1.64 1.55 0.13 0.00 0.00 175.17 176.71 3i9b h PRO 167 N 11.70 -0.23 -0.31 4.34 0.13 -1.86 -1.71 132.00 144.07 3i9b h PRO 167 Ca -0.27 0.02 -0.02 0.00 -0.87 0.00 0.00 66.00 64.85 3i9b h PRO 167 Cb 1.11 0.05 -0.02 0.00 0.13 0.00 0.00 31.00 32.27 3i9b h PRO 167 CO 1.16 -0.15 0.11 1.79 -0.23 0.00 0.00 178.00 180.69 3i9b h THR 168 N -0.23 1.13 -0.12 1.56 1.35 -1.90 1.75 112.91 116.45 3i9b h THR 168 Ca 0.13 -0.42 0.03 0.00 -0.55 0.00 0.00 66.41 65.61 3i9b h THR 168 Cb 0.43 0.78 -0.00 0.00 -1.73 0.00 0.00 68.15 67.62 3i9b h THR 168 CO -0.36 0.16 0.22 0.50 -0.25 0.00 0.00 175.52 175.79 3i9b h LYS 169 N 0.44 0.00 -0.11 4.72 3.11 -1.70 -2.88 116.57 120.15 3i9b h LYS 169 Ca 0.11 0.00 -0.19 0.00 -2.81 0.00 0.00 60.65 57.76 3i9b h LYS 169 Cb 0.11 0.00 -0.21 0.00 -1.00 0.00 0.00 32.23 31.13 3i9b h LYS 169 CO -0.01 0.00 -0.48 -1.91 -2.81 0.00 0.00 179.45 174.24 3i9b n GLU 170 N -3.41 1.45 0.00 1.90 4.07 -0.66 -4.92 120.64 119.08 3i9b n GLU 170 Ca 0.00 -1.78 0.01 0.00 -0.06 0.00 0.00 57.16 55.33 3i9b n GLU 170 Cb 0.32 -0.08 0.08 0.00 -0.06 0.00 0.00 31.44 31.70 3i9b n GLU 170 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 3i9b n ALA 171 N -1.31 1.41 -0.29 4.31 0.00 0.59 -2.16 120.51 123.07 3i9b n ALA 171 Ca -0.12 -0.02 -0.02 0.00 0.00 0.00 0.00 53.44 53.29 3i9b n ALA 171 Cb 0.86 -1.05 0.10 0.00 0.00 0.00 0.00 19.45 19.36 3i9b n ALA 171 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.50 178.32 3i9b h ILE 172 N 0.00 1.11 -0.03 0.00 5.03 -1.85 -0.71 117.51 121.06 3i9b h ILE 172 Ca 0.00 -0.34 -0.07 0.00 -0.12 0.00 0.00 64.86 64.34 3i9b h ILE 172 Cb 0.02 0.05 0.00 0.00 -3.03 0.00 0.00 36.82 33.86 3i9b h ILE 172 CO 0.00 0.18 -0.24 0.00 -0.68 0.00 0.00 178.15 177.41 3i9b h ALA 173 N 1.34 0.07 -1.36 1.87 0.00 -1.81 -3.06 119.26 116.31 3i9b h ALA 173 Ca 0.32 -0.43 0.41 0.00 0.00 0.00 0.00 54.91 55.22 3i9b h ALA 173 Cb 0.02 0.00 -0.10 0.00 0.00 0.00 0.00 17.79 17.71 3i9b h ALA 173 CO -0.12 0.09 0.91 0.28 0.00 0.00 0.00 179.25 180.41 3i9b h VAL 174 N -0.36 0.21 0.35 0.00 2.07 -1.53 1.42 116.25 118.42 3i9b h VAL 174 Ca -0.02 -0.04 -0.02 0.00 0.82 0.00 0.00 66.70 67.44 3i9b h VAL 174 Cb 0.92 0.09 0.00 0.00 -1.52 0.00 0.00 31.29 30.79 3i9b h VAL 174 CO 0.05 0.02 -0.17 -0.09 0.02 0.00 0.00 177.57 177.40 3i9b h ARG 175 N 0.11 -0.46 -1.15 1.57 2.43 -1.06 -0.89 114.38 114.94 3i9b h ARG 175 Ca 0.76 0.03 0.34 0.00 -0.81 0.00 0.00 59.98 60.30 3i9b h ARG 175 Cb 2.54 0.10 -0.11 0.00 -0.42 0.00 0.00 29.97 32.09 3i9b h ARG 175 CO -0.27 -0.14 0.74 0.93 -1.51 0.00 0.00 179.97 179.72 3i9b h GLU 176 N -0.90 0.25 0.00 0.20 5.08 0.18 -2.66 114.58 116.74 3i9b h GLU 176 Ca -0.05 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.30 3i9b h GLU 176 Cb 0.53 -0.06 0.00 0.00 0.50 0.00 0.00 28.75 29.73 3i9b h GLU 176 CO 0.08 0.16 0.00 0.00 -1.00 0.00 0.00 179.01 178.25 3i9b n ALA 177 N -2.50 -0.01 0.00 3.43 0.00 0.80 -3.59 120.51 118.65 3i9b n ALA 177 Ca 0.30 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.74 3i9b n ALA 177 Cb 1.11 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.56 3i9b n ALA 177 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 3i9b n ARG 178 N -0.68 0.00 -0.07 0.00 3.00 -0.36 0.24 116.66 118.79 3i9b n ARG 178 Ca 0.00 0.00 -0.10 0.00 -0.00 0.00 0.00 57.85 57.75 3i9b n ARG 178 Cb 0.00 -1.02 -0.07 0.00 0.00 0.00 0.00 32.46 31.38 3i9b n ARG 178 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.63 178.80 3i9b n LYS 179 N 0.52 0.41 -0.07 -0.14 4.81 -1.01 -4.48 118.16 118.20 3i9b n LYS 179 Ca 0.00 0.08 0.10 0.00 -0.87 0.00 0.00 58.31 57.62 3i9b n LYS 179 Cb 0.00 -1.29 0.39 0.00 0.02 0.00 0.00 35.03 34.15 3i9b n LYS 179 CO 0.00 0.00 0.00 1.28 1.17 0.00 0.00 177.40 179.85 3i9b n LEU 180 N -2.90 1.45 -0.01 3.14 4.77 0.14 -4.90 117.00 118.68 3i9b n LEU 180 Ca -0.25 -0.61 -0.00 0.00 -0.03 0.00 0.00 56.01 55.12 3i9b n LEU 180 Cb 0.77 -0.09 -0.00 0.00 -2.33 0.00 0.00 43.42 41.77 3i9b n LEU 180 CO 0.15 0.30 -0.00 0.49 -1.33 0.00 0.00 177.39 177.00 3i9b n PHE 181 N 0.18 0.00 -2.52 -1.77 3.72 -1.15 -5.01 117.46 110.91 3i9b n PHE 181 Ca 0.16 0.00 -0.43 0.00 -0.05 0.00 0.00 57.45 57.13 3i9b n PHE 181 Cb 0.29 -0.25 -0.02 0.00 -0.94 0.00 0.00 39.48 38.56 3i9b n PHE 181 CO 0.00 0.00 0.00 0.42 -0.05 0.00 0.00 176.76 177.13 3i9b s ILE 182 N -2.00 4.38 0.79 4.37 1.01 -1.21 -5.00 121.20 123.55 3i9b s ILE 182 Ca 0.00 1.63 -0.16 0.00 0.00 0.00 0.00 60.65 62.12 3i9b s ILE 182 Cb 0.00 -4.19 -0.06 0.00 0.01 0.00 0.00 42.46 38.22 3i9b s ILE 182 CO 0.00 -0.29 0.15 -2.65 0.00 0.00 0.00 174.94 172.15 3i9b n PRO 183 N 6.76 0.09 -4.42 2.79 -0.02 -1.26 -4.11 135.00 134.83 3i9b n PRO 183 Ca 0.13 0.06 -0.19 0.00 -2.02 0.00 0.00 63.50 61.48 3i9b n PRO 183 Cb 0.46 -1.55 -0.14 0.00 -0.02 0.00 0.00 33.50 32.24 3i9b n PRO 183 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 3i9b s VAL 184 N -2.03 0.85 -0.05 -1.45 1.01 -1.26 -3.46 120.40 114.01 3i9b s VAL 184 Ca 0.58 -0.55 -0.05 0.00 0.00 0.00 0.00 61.98 61.96 3i9b s VAL 184 Cb -0.31 -0.73 0.02 0.00 0.00 0.00 0.00 36.38 35.36 3i9b s VAL 184 CO 0.66 0.18 0.14 0.27 0.00 0.00 0.00 175.10 176.35 3i9b s ILE 185 N -0.37 -0.01 -0.01 2.22 -4.36 0.33 0.27 121.20 119.27 3i9b s ILE 185 Ca 0.03 0.02 -0.30 0.00 -0.26 0.00 0.00 60.65 60.15 3i9b s ILE 185 Cb -0.05 -0.21 0.11 0.00 1.25 0.00 0.00 42.46 43.56 3i9b s ILE 185 CO -0.00 0.01 1.08 0.00 0.24 0.00 0.00 174.94 176.26 3i9b s ALA 186 N 0.22 -1.94 -0.97 2.27 0.00 -0.76 -1.56 121.76 119.02 3i9b s ALA 186 Ca -0.01 0.85 -0.17 0.00 0.00 0.00 0.00 51.96 52.63 3i9b s ALA 186 Cb -0.02 0.33 0.16 0.00 0.00 0.00 0.00 23.12 23.59 3i9b s ALA 186 CO -0.01 -0.84 1.12 -1.17 0.00 0.00 0.00 175.76 174.86 3i9b s LEU 187 N -2.64 5.41 0.48 0.00 1.98 0.34 -0.49 118.68 123.77 3i9b s LEU 187 Ca 0.10 -2.41 0.01 0.00 -2.89 0.00 0.00 54.13 48.94 3i9b s LEU 187 Cb 0.00 -2.36 0.01 0.00 0.66 0.00 0.00 46.19 44.51 3i9b s LEU 187 CO -0.04 -0.88 0.70 0.00 -1.89 0.00 0.00 176.35 174.24 3i9b s ALA 188 N 1.85 3.84 0.00 5.97 0.00 -0.08 -3.87 121.76 129.46 3i9b s ALA 188 Ca 0.32 -1.18 0.00 0.00 0.00 0.00 0.00 51.96 51.10 3i9b s ALA 188 Cb -0.06 -2.09 0.00 0.00 0.00 0.00 0.00 23.12 20.97 3i9b s ALA 188 CO -0.08 -0.50 0.00 -0.40 0.00 0.00 0.00 175.76 174.78 3i9b n ASP 189 N -2.16 0.00 -3.49 0.00 5.75 -1.26 -2.93 116.55 112.46 3i9b n ASP 189 Ca 0.04 -0.64 -0.37 0.00 -0.01 0.00 0.00 54.79 53.81 3i9b n ASP 189 Cb 0.58 0.00 -0.03 0.00 -1.03 0.00 0.00 41.12 40.64 3i9b n ASP 189 CO 0.00 0.00 0.00 0.35 -0.11 0.00 0.00 177.20 177.44 3i9b n THR 190 N 0.00 2.50 0.00 2.12 -2.24 -1.26 -0.32 114.28 115.08 3i9b n THR 190 Ca 0.00 -1.89 0.00 0.00 -2.27 0.00 0.00 64.05 59.89 3i9b n THR 190 Cb 0.00 -2.35 0.00 0.00 -2.10 0.00 0.00 70.33 65.88 3i9b n THR 190 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 3i9b n ASP 191 N 5.97 0.00 -4.37 3.42 -0.08 -1.26 -4.43 116.55 115.80 3i9b n ASP 191 Ca 0.51 0.00 -0.32 0.00 -1.51 0.00 0.00 54.79 53.47 3i9b n ASP 191 Cb 0.31 0.00 -0.15 0.00 2.34 0.00 0.00 41.12 43.62 3i9b n ASP 191 CO 0.00 0.00 0.00 -0.44 0.12 0.00 0.00 177.20 176.88 3i9b s SER 192 N 0.00 3.76 -0.18 1.67 0.01 0.56 -4.72 113.70 114.80 3i9b s SER 192 Ca 0.00 -0.34 -0.18 0.00 1.31 0.00 0.00 55.95 56.74 3i9b s SER 192 Cb 0.00 -1.22 -0.04 0.00 0.21 0.00 0.00 66.02 64.98 3i9b s SER 192 CO 0.00 0.23 0.48 1.51 0.41 0.00 0.00 173.24 175.87 3i9b s ASP 193 N -0.07 6.56 0.00 2.44 3.84 -1.26 -4.42 116.67 123.76 3i9b s ASP 193 Ca -0.04 0.67 0.00 0.00 -0.00 0.00 0.00 52.55 53.18 3i9b s ASP 193 Cb -0.14 -2.28 0.00 0.00 -1.38 0.00 0.00 42.92 39.12 3i9b s ASP 193 CO 0.04 -0.11 0.00 -0.81 -0.00 0.00 0.00 175.17 174.29 3i9b n PRO 194 N 4.46 0.00 0.00 2.11 -0.04 -1.26 -3.97 135.00 136.30 3i9b n PRO 194 Ca -0.06 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.40 3i9b n PRO 194 Cb 0.51 -0.34 0.00 0.00 -0.04 0.00 0.00 33.50 33.63 3i9b n PRO 194 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 3i9b n ASP 195 N 0.00 0.00 0.20 3.54 9.92 -1.26 0.50 116.55 129.46 3i9b n ASP 195 Ca 0.00 0.00 0.10 0.00 -0.53 0.00 0.00 54.79 54.36 3i9b n ASP 195 Cb 0.00 0.00 0.16 0.00 -0.64 0.00 0.00 41.12 40.64 3i9b n ASP 195 CO 0.00 0.00 0.00 0.17 0.13 0.00 0.00 177.20 177.50 3i9b h LEU 196 N 0.00 0.00 -9.37 0.64 8.10 -2.02 -3.43 115.31 109.22 3i9b h LEU 196 Ca 0.00 0.00 -0.64 0.00 0.11 0.00 0.00 57.88 57.35 3i9b h LEU 196 Cb 0.00 0.00 -0.11 0.00 -0.44 0.00 0.00 40.66 40.11 3i9b h LEU 196 CO 0.00 0.14 -0.52 -0.69 -4.11 0.00 0.00 178.44 173.26 3i9b s VAL 197 N -3.18 5.19 0.01 0.15 1.01 0.18 -4.96 120.40 118.80 3i9b s VAL 197 Ca 0.06 0.10 -0.20 0.00 0.00 0.00 0.00 61.98 61.93 3i9b s VAL 197 Cb 0.06 -3.30 -0.11 0.00 0.00 0.00 0.00 36.38 33.03 3i9b s VAL 197 CO 0.68 0.53 0.99 0.44 0.00 0.00 0.00 175.10 177.74 3i9b h ASP 198 N 5.89 -0.62 -3.71 3.32 3.45 -1.81 -3.41 116.42 119.52 3i9b h ASP 198 Ca -0.46 0.02 -0.70 0.00 0.43 0.00 0.00 57.03 56.32 3i9b h ASP 198 Cb 1.19 0.16 -0.35 0.00 -0.56 0.00 0.00 39.33 39.77 3i9b h ASP 198 CO 0.66 -0.32 -0.48 -0.31 -1.57 0.00 0.00 179.24 177.22 3i9b s TYR 199 N -4.11 3.52 0.93 4.55 1.51 0.76 -4.97 117.35 119.54 3i9b s TYR 199 Ca -0.11 -2.51 -0.10 0.00 -1.01 0.00 0.00 57.07 53.34 3i9b s TYR 199 Cb 0.01 -3.22 0.16 0.00 -0.11 0.00 0.00 41.96 38.79 3i9b s TYR 199 CO 0.32 -0.93 1.14 -0.89 -1.11 0.00 0.00 175.55 174.09 3i9b n ILE 200 N 4.20 0.00 -2.97 2.71 -0.00 -1.26 -1.82 119.36 120.21 3i9b n ILE 200 Ca 0.01 -0.02 -0.06 0.00 -0.00 0.00 0.00 62.75 62.68 3i9b n ILE 200 Cb 0.40 -1.00 -0.01 0.00 -0.00 0.00 0.00 39.64 39.03 3i9b n ILE 200 CO 0.00 0.00 0.00 -0.63 -0.00 0.00 0.00 176.55 175.92 3i9b s ILE 201 N -2.63 -0.81 0.92 1.39 -1.09 0.36 -4.70 121.20 114.64 3i9b s ILE 201 Ca 0.67 -0.96 -0.13 0.00 -2.23 0.00 0.00 60.65 58.00 3i9b s ILE 201 Cb -0.23 -0.18 0.21 0.00 -1.58 0.00 0.00 42.46 40.68 3i9b s ILE 201 CO 0.58 -0.18 0.48 -0.81 -1.23 0.00 0.00 174.94 173.78 3i9b n PRO 202 N 3.35 -2.43 0.00 2.79 -0.04 -1.25 -0.90 135.00 136.52 3i9b n PRO 202 Ca 0.17 -0.80 0.00 0.00 -0.04 0.00 0.00 63.50 62.83 3i9b n PRO 202 Cb 0.55 -1.27 0.00 0.00 -0.04 0.00 0.00 33.50 32.74 3i9b n PRO 202 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3i9b n GLY 203 N -2.51 2.56 3.17 0.55 0.00 -1.15 -4.59 105.19 103.22 3i9b n GLY 203 Ca 0.08 -2.04 -0.26 0.00 0.00 0.00 0.00 46.02 43.80 3i9b n GLY 203 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3i9b n ASN 204 N 0.00 -2.95 0.00 1.61 4.13 -1.26 -4.42 115.26 112.37 3i9b n ASN 204 Ca 0.00 -0.39 0.00 0.00 1.68 0.00 0.00 54.58 55.87 3i9b n ASN 204 Cb 0.00 -0.91 0.00 0.00 -1.54 0.00 0.00 39.78 37.33 3i9b n ASN 204 CO 0.00 0.00 0.00 -0.90 0.28 0.00 0.00 177.26 176.64 3i9b n ASP 205 N -2.63 0.09 -0.05 6.41 5.75 -1.26 -4.87 116.55 119.98 3i9b n ASP 205 Ca 0.05 -0.00 -0.08 0.00 -0.01 0.00 0.00 54.79 54.75 3i9b n ASP 205 Cb 0.50 0.02 -0.04 0.00 -1.03 0.00 0.00 41.12 40.57 3i9b n ASP 205 CO 0.00 0.00 0.00 -0.67 -0.11 0.00 0.00 177.20 176.42 3i9b n ASP 206 N -0.03 2.68 -4.54 -1.12 4.64 -1.26 -4.82 116.55 112.11 3i9b n ASP 206 Ca 0.00 -0.01 -0.36 0.00 -1.38 0.00 0.00 54.79 53.04 3i9b n ASP 206 Cb 0.00 -0.19 -0.06 0.00 -1.04 0.00 0.00 41.12 39.83 3i9b n ASP 206 CO 0.00 0.00 0.00 0.00 -0.82 0.00 0.00 177.20 176.38 3i9b n ALA 207 N -2.94 0.64 -0.22 -1.67 0.00 -1.26 -4.78 120.51 110.28 3i9b n ALA 207 Ca -0.18 -0.80 0.30 0.00 0.00 0.00 0.00 53.44 52.76 3i9b n ALA 207 Cb 0.68 -2.97 0.72 0.00 0.00 0.00 0.00 19.45 17.88 3i9b n ALA 207 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.50 178.32 3i9b h ILE 208 N 7.77 0.52 0.00 0.00 1.08 -1.92 0.35 117.51 125.31 3i9b h ILE 208 Ca -0.18 -0.01 0.00 0.00 -0.39 0.00 0.00 64.86 64.29 3i9b h ILE 208 Cb 1.27 0.50 0.00 0.00 -3.07 0.00 0.00 36.82 35.52 3i9b h ILE 208 CO 1.22 0.00 0.00 0.03 -0.69 0.00 0.00 178.15 178.71 3i9b h ARG 209 N 0.02 0.00 0.00 2.37 3.08 -1.96 -2.25 114.38 115.63 3i9b h ARG 209 Ca 0.46 0.00 -0.07 0.00 0.07 0.00 0.00 59.98 60.44 3i9b h ARG 209 Cb 1.83 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 31.87 3i9b h ARG 209 CO -0.01 0.00 -1.53 0.45 -1.07 0.00 0.00 179.97 177.81 3i9b n SER 210 N -2.82 2.73 0.50 7.04 2.88 0.05 -4.07 113.62 119.93 3i9b n SER 210 Ca -0.01 0.00 -0.20 0.00 -1.33 0.00 0.00 58.87 57.32 3i9b n SER 210 Cb 0.13 1.16 -0.10 0.00 -0.75 0.00 0.00 64.21 64.65 3i9b n SER 210 CO 0.00 0.00 0.00 0.40 -1.23 0.00 0.00 175.04 174.21 3i9b h ILE 211 N 0.00 0.06 0.00 2.46 2.04 -0.98 -2.24 117.51 118.85 3i9b h ILE 211 Ca -0.10 0.00 -0.01 0.00 1.00 0.00 0.00 64.86 65.75 3i9b h ILE 211 Cb 0.91 0.06 -0.00 0.00 -0.74 0.00 0.00 36.82 37.05 3i9b h ILE 211 CO 0.01 0.00 -0.03 -0.61 0.00 0.00 0.00 178.15 177.52 3i9b h GLN 212 N -1.27 0.00 0.00 2.37 -0.00 -1.67 -2.21 115.11 112.32 3i9b h GLN 212 Ca -0.13 0.00 -0.02 0.00 -0.00 0.00 0.00 58.65 58.50 3i9b h GLN 212 Cb 0.98 0.00 -0.00 0.00 0.00 0.00 0.00 27.48 28.46 3i9b h GLN 212 CO 0.20 0.03 -0.09 1.25 0.00 0.00 0.00 178.83 180.22 3i9b h LEU 213 N 0.00 0.00 0.00 -2.39 6.46 -1.56 -2.13 115.31 115.69 3i9b h LEU 213 Ca -0.00 0.00 -0.28 0.00 -0.12 0.00 0.00 57.88 57.48 3i9b h LEU 213 Cb 0.33 0.00 -0.04 0.00 -0.73 0.00 0.00 40.66 40.22 3i9b h LEU 213 CO 0.00 0.09 -1.67 -0.38 -0.62 0.00 0.00 178.44 175.87 3i9b n ILE 214 N -3.24 1.52 0.26 4.05 2.08 -0.85 -4.02 119.36 119.17 3i9b n ILE 214 Ca 0.00 -0.13 0.18 0.00 0.56 0.00 0.00 62.75 63.37 3i9b n ILE 214 Cb 0.35 -2.05 0.89 0.00 -0.75 0.00 0.00 39.64 38.08 3i9b n ILE 214 CO 0.00 0.00 0.00 -0.07 0.56 0.00 0.00 176.55 177.04 3i9b h LEU 215 N -1.00 0.00 0.00 1.39 -0.00 -1.61 -2.84 115.31 111.25 3i9b h LEU 215 Ca -0.42 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.46 3i9b h LEU 215 Cb 1.31 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.97 3i9b h LEU 215 CO -0.25 0.00 0.00 -0.24 -0.00 0.00 0.00 178.44 177.95 3i9b n SER 216 N -3.34 0.00 -0.15 -0.43 2.88 -0.80 -1.78 113.62 110.00 3i9b n SER 216 Ca 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 3i9b n SER 216 Cb 0.34 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.80 3i9b n SER 216 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 3i9b n ARG 217 N 0.00 0.00 -0.05 -1.46 1.74 -1.23 -1.63 116.66 114.03 3i9b n ARG 217 Ca 0.00 0.00 -0.04 0.00 -0.77 0.00 0.00 57.85 57.04 3i9b n ARG 217 Cb 0.00 -1.00 -0.01 0.00 -1.02 0.00 0.00 32.46 30.43 3i9b n ARG 217 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3i9b n ALA 218 N -0.21 0.42 0.25 7.54 0.00 -1.07 -4.10 120.51 123.34 3i9b n ALA 218 Ca 0.00 -0.49 0.15 0.00 0.00 0.00 0.00 53.44 53.10 3i9b n ALA 218 Cb 0.00 0.01 0.75 0.00 0.00 0.00 0.00 19.45 20.22 3i9b n ALA 218 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 177.50 177.26 3i9b h VAL 219 N -0.54 0.00 0.00 0.00 3.04 -0.52 -2.98 116.25 115.25 3i9b h VAL 219 Ca 0.00 -0.07 0.00 0.00 -1.01 0.00 0.00 66.70 65.62 3i9b h VAL 219 Cb 0.48 0.75 0.00 0.00 -2.01 0.00 0.00 31.29 30.51 3i9b h VAL 219 CO 0.00 0.00 0.00 0.47 -1.01 0.00 0.00 177.57 177.03 3i9b n ASP 220 N -2.53 0.00 0.16 3.17 9.92 -0.65 -2.61 116.55 124.01 3i9b n ASP 220 Ca -0.01 0.89 0.08 0.00 -0.53 0.00 0.00 54.79 55.22 3i9b n ASP 220 Cb 0.09 -0.44 0.44 0.00 -0.64 0.00 0.00 41.12 40.57 3i9b n ASP 220 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 3i9b n LEU 221 N -1.81 0.42 0.17 0.64 -0.00 -1.14 0.19 117.00 115.47 3i9b n LEU 221 Ca 0.00 0.63 0.02 0.00 -0.00 0.00 0.00 56.01 56.66 3i9b n LEU 221 Cb 0.00 -0.63 0.28 0.00 -0.00 0.00 0.00 43.42 43.08 3i9b n LEU 221 CO 0.00 -0.78 0.62 0.40 -0.00 0.00 0.00 177.39 177.64 3i9b h ILE 222 N 0.00 1.26 0.00 1.47 2.04 -1.39 -2.82 117.51 118.07 3i9b h ILE 222 Ca 0.00 -1.66 -0.11 0.00 1.00 0.00 0.00 64.86 64.08 3i9b h ILE 222 Cb 0.36 1.92 -0.02 0.00 -0.74 0.00 0.00 36.82 38.34 3i9b h ILE 222 CO 0.00 0.46 -1.29 -0.38 0.00 0.00 0.00 178.15 176.95 3i9b n ILE 223 N -3.86 0.99 0.34 -0.67 2.08 0.50 -3.70 119.36 115.04 3i9b n ILE 223 Ca -0.01 -0.64 0.13 0.00 0.56 0.00 0.00 62.75 62.78 3i9b n ILE 223 Cb 0.51 -0.60 0.56 0.00 -0.75 0.00 0.00 39.64 39.36 3i9b n ILE 223 CO 0.00 0.00 0.00 -0.61 0.56 0.00 0.00 176.55 176.50 3i9b h GLN 224 N 0.00 0.00 -0.60 0.38 5.75 -1.10 -1.08 115.11 118.45 3i9b h GLN 224 Ca -0.11 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.39 3i9b h GLN 224 Cb 1.39 0.00 0.00 0.00 1.07 0.00 0.00 27.48 29.94 3i9b h GLN 224 CO 0.03 0.00 0.00 0.00 -2.65 0.00 0.00 178.83 176.21 3i9b n ALA 225 N -1.83 2.70 -2.67 3.38 0.00 -1.17 -4.41 120.51 116.51 3i9b n ALA 225 Ca 0.01 -1.12 -0.05 0.00 0.00 0.00 0.00 53.44 52.28 3i9b n ALA 225 Cb 0.20 -0.99 0.04 0.00 0.00 0.00 0.00 19.45 18.70 3i9b n ALA 225 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 3i9b n ARG 226 N 1.01 0.49 -0.15 0.00 0.00 -0.46 -4.76 116.66 112.78 3i9b n ARG 226 Ca 0.20 -1.06 0.00 0.00 -0.00 0.00 0.00 57.85 56.99 3i9b n ARG 226 Cb 0.61 -0.08 0.00 0.00 0.00 0.00 0.00 32.46 32.99 3i9b n ARG 226 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 3i9b n GLY 227 N -0.40 0.88 4.00 5.14 0.00 -0.91 -4.96 105.19 108.94 3i9b n GLY 227 Ca -0.17 -1.92 -0.18 0.00 0.00 0.00 0.00 46.02 43.75 3i9b n GLY 227 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3i9b s GLY 228 N 0.00 1.89 -0.16 -0.02 0.00 -1.26 -4.30 107.32 103.47 3i9b s GLY 228 Ca 0.00 -1.64 -0.17 0.00 0.00 0.00 0.00 44.72 42.91 3i9b s GLY 228 CO 0.00 -1.48 1.24 1.55 0.00 0.00 0.00 173.10 174.40 3i9b n VAL 229 N -1.79 0.00 -0.22 1.40 3.14 -1.26 -4.70 118.33 114.90 3i9b n VAL 229 Ca 0.06 -0.22 -0.14 0.00 -2.96 0.00 0.00 64.34 61.08 3i9b n VAL 229 Cb 0.59 -1.10 -0.04 0.00 -1.06 0.00 0.00 33.84 32.23 3i9b n VAL 229 CO 0.00 0.00 0.00 0.52 -6.46 0.00 0.00 176.83 170.89 3i9b n VAL 230 N 5.85 0.00 -1.52 1.55 0.31 -1.26 -4.68 118.33 118.59 3i9b n VAL 230 Ca 0.25 -0.02 0.00 0.00 -0.01 0.00 0.00 64.34 64.56 3i9b n VAL 230 Cb 0.38 -1.51 0.00 0.00 -0.91 0.00 0.00 33.84 31.80 3i9b n VAL 230 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 3i9b n GLU 231 N 5.72 -2.51 -0.94 5.55 1.02 -1.26 -4.85 120.64 123.36 3i9b n GLU 231 Ca 0.14 1.84 -0.35 0.00 -0.02 0.00 0.00 57.16 58.78 3i9b n GLU 231 Cb 0.14 -2.31 0.07 0.00 -0.02 0.00 0.00 31.44 29.31 3i9b n GLU 231 CO 0.00 0.00 0.00 -2.30 1.18 0.00 0.00 177.13 176.01 3i9b n PRO 232 N -0.29 -0.09 -3.78 3.49 -0.02 -1.26 -4.98 135.00 128.07 3i9b n PRO 232 Ca 0.00 -0.01 -0.20 0.00 -2.02 0.00 0.00 63.50 61.27 3i9b n PRO 232 Cb 0.00 -1.31 -0.02 0.00 -0.02 0.00 0.00 33.50 32.15 3i9b n PRO 232 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 3i9b s SER 233 N -1.36 5.91 -0.46 2.55 0.15 -1.26 -4.96 113.70 114.28 3i9b s SER 233 Ca 0.47 -0.16 -0.12 0.00 0.70 0.00 0.00 55.95 56.83 3i9b s SER 233 Cb -0.20 -1.42 -0.11 0.00 -1.71 0.00 0.00 66.02 62.58 3i9b s SER 233 CO 0.77 -0.24 1.47 -2.65 1.20 0.00 0.00 173.24 173.79 3i9b n PRO 234 N -1.46 0.04 -0.21 5.44 -0.02 -1.26 -4.72 135.00 132.81 3i9b n PRO 234 Ca -0.04 -0.75 0.21 0.00 -2.02 0.00 0.00 63.50 60.90 3i9b n PRO 234 Cb 0.58 -2.29 0.38 0.00 -0.02 0.00 0.00 33.50 32.15 3i9b n PRO 234 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 3i9b n SER 235 N 11.20 0.22 -1.30 2.55 2.88 -1.26 -4.72 113.62 123.18 3i9b n SER 235 Ca 0.18 1.04 -0.12 0.00 -1.33 0.00 0.00 58.87 58.65 3i9b n SER 235 Cb 0.48 -0.51 -0.01 0.00 -0.75 0.00 0.00 64.21 63.42 3i9b n SER 235 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 3i9b n TYR 236 N -4.41 -0.51 0.64 0.66 9.36 -1.26 -4.84 117.16 116.81 3i9b n TYR 236 Ca 0.24 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.46 3i9b n TYR 236 Cb 0.83 -2.63 0.00 0.00 -0.63 0.00 0.00 39.34 36.91 3i9b n TYR 236 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 3i9b n ALA 237 N -1.34 2.10 -2.05 2.98 0.00 -1.26 -4.47 120.51 116.47 3i9b n ALA 237 Ca -0.14 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.30 3i9b n ALA 237 Cb 0.59 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 19.04 3i9b n ALA 237 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 177.50 178.97 3i9b n LEU 238 N 0.56 0.00 -1.45 0.00 -0.00 -1.26 -5.10 117.00 109.74 3i9b n LEU 238 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 56.01 3i9b n LEU 238 Cb 0.28 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.70 3i9b n LEU 238 CO 0.00 0.00 -0.40 0.52 -0.00 0.00 0.00 177.39 177.51 3i9b n VAL 239 N 0.00 -4.89 -0.51 1.47 0.31 -1.26 -5.18 118.33 108.27 3i9b n VAL 239 Ca 0.00 2.16 0.00 0.00 -0.01 0.00 0.00 64.34 66.49 3i9b n VAL 239 Cb 0.00 -2.97 0.00 0.00 -0.91 0.00 0.00 33.84 29.96 3i9b n VAL 239 CO 0.00 0.00 0.00 1.67 -1.32 0.00 0.00 176.83 177.18