#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i6b s LEU 8 N 0.00 2.85 0.11 1.04 2.01 -0.23 -4.98 118.68 119.48 3i6b s LEU 8 Ca 0.00 -0.34 -0.30 0.00 0.01 0.00 0.00 54.13 53.50 3i6b s LEU 8 Cb 0.00 -1.69 -0.06 0.00 0.01 0.00 0.00 46.19 44.45 3i6b s LEU 8 CO 0.00 0.07 1.08 0.00 1.01 0.00 0.00 176.35 178.51 3i6b s ALA 9 N 0.93 3.31 0.40 4.21 0.00 -1.26 0.08 121.76 129.43 3i6b s ALA 9 Ca -0.01 0.73 0.03 0.00 0.00 0.00 0.00 51.96 52.71 3i6b s ALA 9 Cb -0.15 -3.36 -0.03 0.00 0.00 0.00 0.00 23.12 19.58 3i6b s ALA 9 CO 0.00 -0.23 0.09 0.95 0.00 0.00 0.00 175.76 176.57 3i6b s THR 10 N 0.33 0.89 -1.35 0.00 -4.23 -0.86 -4.90 115.64 105.52 3i6b s THR 10 Ca 0.52 -2.00 0.28 0.00 -1.18 0.00 0.00 61.69 59.31 3i6b s THR 10 Cb -0.27 -2.46 0.44 0.00 1.34 0.00 0.00 72.50 71.55 3i6b s THR 10 CO 0.31 0.00 1.96 0.00 -0.54 0.00 0.00 174.62 176.35 3i6b n TYR 12 N -1.33 0.00 0.00 0.00 4.02 -1.26 -5.09 117.16 113.50 3i6b n TYR 12 Ca 0.12 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 58.01 3i6b n TYR 12 Cb 0.24 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.56 3i6b n TYR 12 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 3i6b n GLY 13 N 1.32 1.78 3.75 2.72 0.00 -0.84 -4.92 105.19 109.00 3i6b n GLY 13 Ca 0.05 -2.06 -0.41 0.00 0.00 0.00 0.00 46.02 43.60 3i6b n GLY 13 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 3i6b s PRO 14 N -1.43 4.19 0.14 1.61 0.02 -1.26 -2.02 135.00 136.25 3i6b s PRO 14 Ca 0.00 2.45 0.10 0.00 0.02 0.00 0.00 61.00 63.57 3i6b s PRO 14 Cb 0.00 -3.06 -0.04 0.00 0.02 0.00 0.00 34.50 31.42 3i6b s PRO 14 CO 0.00 -0.53 -0.24 0.14 -0.33 0.00 0.00 177.00 176.04 3i6b s VAL 15 N -0.04 2.10 0.51 3.83 -7.23 0.11 -4.92 120.40 114.77 3i6b s VAL 15 Ca 0.61 -1.77 -0.20 0.00 -1.81 0.00 0.00 61.98 58.81 3i6b s VAL 15 Cb -0.45 -1.90 -0.07 0.00 0.56 0.00 0.00 36.38 34.52 3i6b s VAL 15 CO 0.46 -0.03 1.07 -0.94 -0.31 0.00 0.00 175.10 175.36 3i6b s SER 16 N -2.20 6.07 0.52 4.85 1.04 -1.26 -1.07 113.70 121.65 3i6b s SER 16 Ca 0.14 2.02 0.18 0.00 0.48 0.00 0.00 55.95 58.77 3i6b s SER 16 Cb -0.09 -2.57 1.29 0.00 0.10 0.00 0.00 66.02 64.75 3i6b s SER 16 CO 0.06 -0.97 2.11 0.00 0.98 0.00 0.00 173.24 175.42 3i6b h ALA 17 N 1.36 2.12 -0.19 5.32 0.00 -1.94 -2.25 119.26 123.69 3i6b h ALA 17 Ca -0.50 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.39 3i6b h ALA 17 Cb 1.24 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 19.02 3i6b h ALA 17 CO 0.58 -0.17 0.05 -0.44 0.00 0.00 0.00 179.25 179.28 3i6b h ASP 18 N 0.02 0.28 -0.86 0.00 5.19 -1.99 -0.42 116.42 118.63 3i6b h ASP 18 Ca 0.07 -0.22 -0.03 0.00 -0.62 0.00 0.00 57.03 56.24 3i6b h ASP 18 Cb 0.27 -0.07 -0.04 0.00 0.18 0.00 0.00 39.33 39.66 3i6b h ASP 18 CO -0.00 0.42 0.43 0.58 -3.12 0.00 0.00 179.24 177.55 3i6b h VAL 19 N 0.12 1.26 -0.54 -1.35 2.07 -1.78 -1.78 116.25 114.24 3i6b h VAL 19 Ca 0.06 -0.70 -0.07 0.00 0.82 0.00 0.00 66.70 66.80 3i6b h VAL 19 Cb 0.25 0.14 -0.02 0.00 -1.52 0.00 0.00 31.29 30.13 3i6b h VAL 19 CO -0.00 0.31 0.05 -0.03 0.02 0.00 0.00 177.57 177.92 3i6b h MET 20 N 1.22 0.92 -0.56 1.57 -1.53 -1.24 -1.02 114.93 114.29 3i6b h MET 20 Ca 0.30 -0.27 -0.02 0.00 -3.44 0.00 0.00 59.70 56.27 3i6b h MET 20 Cb 0.09 -0.10 -0.03 0.00 -0.55 0.00 0.00 31.60 31.02 3i6b h MET 20 CO -0.04 0.91 0.28 0.00 0.14 0.00 0.00 176.91 178.20 3i6b h ALA 21 N 0.98 0.72 -0.81 0.39 0.00 -0.85 -0.77 119.26 118.91 3i6b h ALA 21 Ca 0.16 -0.12 0.02 0.00 0.00 0.00 0.00 54.91 54.97 3i6b h ALA 21 Cb 0.46 -0.22 -0.04 0.00 0.00 0.00 0.00 17.79 17.98 3i6b h ALA 21 CO 0.02 0.27 0.53 0.87 0.00 0.00 0.00 179.25 180.94 3i6b h LYS 22 N 0.75 1.03 -0.03 0.00 1.57 -1.15 -3.04 116.57 115.71 3i6b h LYS 22 Ca 0.19 -0.06 -0.12 0.00 -1.87 0.00 0.00 60.65 58.79 3i6b h LYS 22 Cb 0.10 -0.23 -0.02 0.00 0.08 0.00 0.00 32.23 32.16 3i6b h LYS 22 CO -0.03 0.68 -0.56 0.00 -0.57 0.00 0.00 179.45 178.97 3i6b h ALA 23 N 1.31 1.01 0.00 3.86 0.00 -0.80 -2.77 119.26 121.88 3i6b h ALA 23 Ca 0.31 -0.51 -0.02 0.00 0.00 0.00 0.00 54.91 54.69 3i6b h ALA 23 Cb -0.08 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 17.62 3i6b h ALA 23 CO -0.08 0.70 -0.08 1.49 0.00 0.00 0.00 179.25 181.28 3i6b h GLU 24 N 0.06 0.00 -0.25 0.00 4.22 -1.03 -3.00 114.58 114.58 3i6b h GLU 24 Ca -0.00 0.00 0.00 0.00 0.08 0.00 0.00 59.36 59.44 3i6b h GLU 24 Cb 1.01 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.26 3i6b h GLU 24 CO 0.08 0.08 0.00 -1.71 -2.18 0.00 0.00 179.01 175.28 3i6b n ASN 25 N -4.41 2.46 -4.67 1.04 4.05 -1.04 -4.78 115.26 107.91 3i6b n ASN 25 Ca -0.03 -1.84 -0.42 0.00 0.45 0.00 0.00 54.58 52.74 3i6b n ASN 25 Cb 0.16 -0.16 -0.03 0.00 1.23 0.00 0.00 39.78 40.97 3i6b n ASN 25 CO 0.00 0.00 0.00 -0.63 -3.05 0.00 0.00 177.26 173.58 3i6b s ILE 26 N -1.68 4.84 -0.68 -1.44 -1.09 -1.13 -4.39 121.20 115.62 3i6b s ILE 26 Ca 0.35 1.78 0.09 0.00 -2.23 0.00 0.00 60.65 60.63 3i6b s ILE 26 Cb 0.20 -4.20 -0.04 0.00 -1.58 0.00 0.00 42.46 36.84 3i6b s ILE 26 CO 0.28 0.00 0.51 0.54 -1.23 0.00 0.00 174.94 175.05 3i6b n ARG 27 N 5.28 2.88 -3.70 2.79 5.12 0.15 -4.88 116.66 124.30 3i6b n ARG 27 Ca 0.06 -0.36 -0.12 0.00 -1.93 0.00 0.00 57.85 55.50 3i6b n ARG 27 Cb 0.48 -1.00 -0.13 0.00 -1.16 0.00 0.00 32.46 30.66 3i6b n ARG 27 CO 0.00 0.00 0.00 -1.17 -1.93 0.00 0.00 177.63 174.53 3i6b s LEU 28 N -1.87 0.08 -0.32 0.55 2.96 -1.05 -1.73 118.68 117.29 3i6b s LEU 28 Ca 0.06 0.62 -0.09 0.00 -0.22 0.00 0.00 54.13 54.51 3i6b s LEU 28 Cb 0.07 0.85 0.01 0.00 0.50 0.00 0.00 46.19 47.62 3i6b s LEU 28 CO 0.28 -0.19 0.14 -0.22 -1.32 0.00 0.00 176.35 175.03 3i6b s LEU 29 N 1.68 4.19 -0.17 -0.68 2.96 0.11 -0.85 118.68 125.93 3i6b s LEU 29 Ca -0.06 -0.73 -0.11 0.00 -0.22 0.00 0.00 54.13 53.00 3i6b s LEU 29 Cb -0.11 -1.96 -0.05 0.00 0.50 0.00 0.00 46.19 44.58 3i6b s LEU 29 CO -0.09 -0.25 0.20 -0.63 -1.32 0.00 0.00 176.35 174.26 3i6b s ILE 30 N 1.55 5.37 0.01 6.68 1.01 0.11 -0.70 121.20 135.22 3i6b s ILE 30 Ca 0.03 0.34 0.08 0.00 0.00 0.00 0.00 60.65 61.11 3i6b s ILE 30 Cb -0.18 -3.53 -0.02 0.00 0.01 0.00 0.00 42.46 38.74 3i6b s ILE 30 CO 0.05 0.45 -0.26 -0.76 0.00 0.00 0.00 174.94 174.42 3i6b s LEU 31 N 0.17 2.10 0.61 2.97 1.43 0.55 -1.74 118.68 124.78 3i6b s LEU 31 Ca 0.12 -0.52 -0.15 0.00 -1.03 0.00 0.00 54.13 52.55 3i6b s LEU 31 Cb -0.12 -1.28 -0.03 0.00 0.03 0.00 0.00 46.19 44.79 3i6b s LEU 31 CO 0.01 0.28 1.06 -1.81 0.23 0.00 0.00 176.35 176.13 3i6b s ASP 32 N -0.90 5.69 0.00 2.29 1.11 -1.09 -2.53 116.67 121.24 3i6b s ASP 32 Ca 0.10 1.82 0.00 0.00 0.18 0.00 0.00 52.55 54.65 3i6b s ASP 32 Cb -0.10 -2.53 0.00 0.00 1.07 0.00 0.00 42.92 41.36 3i6b s ASP 32 CO 0.00 -1.23 0.00 0.52 1.18 0.00 0.00 175.17 175.64 3i6b n VAL 33 N -2.16 0.00 -2.00 -1.27 0.31 -1.26 -3.66 118.33 108.29 3i6b n VAL 33 Ca 0.09 0.30 -0.42 0.00 -0.01 0.00 0.00 64.34 64.29 3i6b n VAL 33 Cb 0.53 -1.02 -0.03 0.00 -0.91 0.00 0.00 33.84 32.41 3i6b n VAL 33 CO 0.00 0.00 0.00 -1.81 -1.32 0.00 0.00 176.83 173.70 3i6b s ASP 34 N -2.38 5.81 0.00 4.52 1.01 -1.26 -0.44 116.67 123.93 3i6b s ASP 34 Ca 0.00 1.20 0.00 0.00 0.71 0.00 0.00 52.55 54.46 3i6b s ASP 34 Cb 0.00 -2.53 0.00 0.00 1.01 0.00 0.00 42.92 41.40 3i6b s ASP 34 CO 0.00 -1.79 0.00 0.61 0.21 0.00 0.00 175.17 174.20 3i6b n GLY 35 N 5.45 0.25 1.00 0.21 0.00 -1.03 -4.78 105.19 106.29 3i6b n GLY 35 Ca 0.23 0.00 -0.00 0.00 0.00 0.00 0.00 46.02 46.24 3i6b n GLY 35 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 3i6b n VAL 36 N -1.92 0.54 0.06 1.61 0.31 -0.75 -4.06 118.33 114.12 3i6b n VAL 36 Ca 0.00 0.17 -0.00 0.00 -0.01 0.00 0.00 64.34 64.49 3i6b n VAL 36 Cb 0.00 -1.55 -0.06 0.00 -0.91 0.00 0.00 33.84 31.32 3i6b n VAL 36 CO 0.00 0.00 0.00 -0.07 -1.32 0.00 0.00 176.83 175.44 3i6b h LEU 37 N -0.02 0.00-10.06 7.52 3.38 -0.82 -2.51 115.31 112.80 3i6b h LEU 37 Ca -0.01 0.00 -0.65 0.00 0.09 0.00 0.00 57.88 57.31 3i6b h LEU 37 Cb 0.60 0.00 -0.11 0.00 0.09 0.00 0.00 40.66 41.23 3i6b h LEU 37 CO -0.00 0.60 -0.48 -0.94 0.09 0.00 0.00 178.44 177.70 3i6b s SER 38 N -6.03 4.22 0.00 -0.43 1.04 -1.05 -3.66 113.70 107.79 3i6b s SER 38 Ca -0.01 -1.53 0.19 0.00 0.48 0.00 0.00 55.95 55.09 3i6b s SER 38 Cb 0.08 0.38 0.65 0.00 0.10 0.00 0.00 66.02 67.23 3i6b s SER 38 CO 0.80 -0.85 1.49 -0.90 0.98 0.00 0.00 173.24 174.75 3i6b n ASP 39 N -1.33 1.88 0.00 7.02 3.85 -1.26 -2.18 116.55 124.53 3i6b n ASP 39 Ca -0.14 -1.78 0.00 0.00 -0.71 0.00 0.00 54.79 52.16 3i6b n ASP 39 Cb 0.66 -0.14 0.00 0.00 -1.35 0.00 0.00 41.12 40.29 3i6b n ASP 39 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 3i6b n GLY 40 N 1.16 0.38 3.80 6.12 0.00 -1.26 -4.70 105.19 110.68 3i6b n GLY 40 Ca 0.16 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.80 3i6b n GLY 40 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3i6b s LEU 41 N 0.00 4.49 -0.23 0.99 1.43 -1.26 -4.85 118.68 119.25 3i6b s LEU 41 Ca 0.00 1.49 0.02 0.00 -1.03 0.00 0.00 54.13 54.61 3i6b s LEU 41 Cb 0.00 -3.34 0.05 0.00 0.03 0.00 0.00 46.19 42.93 3i6b s LEU 41 CO 0.00 0.15 -0.11 -0.63 0.23 0.00 0.00 176.35 176.00 3i6b s ILE 42 N -1.28 1.87 -0.22 -0.59 -1.09 -1.26 -4.63 121.20 114.00 3i6b s ILE 42 Ca 0.37 -1.27 -0.24 0.00 -2.23 0.00 0.00 60.65 57.29 3i6b s ILE 42 Cb -0.20 -1.95 -0.01 0.00 -1.58 0.00 0.00 42.46 38.71 3i6b s ILE 42 CO 0.23 0.09 0.77 -0.31 -1.23 0.00 0.00 174.94 174.49 3i6b s TYR 43 N 1.27 3.35 -0.03 3.97 1.51 -0.92 -4.96 117.35 121.54 3i6b s TYR 43 Ca -0.04 1.09 0.05 0.00 -1.01 0.00 0.00 57.07 57.16 3i6b s TYR 43 Cb -0.18 -2.97 -0.01 0.00 -0.11 0.00 0.00 41.96 38.69 3i6b s TYR 43 CO -0.07 -0.31 -0.19 -1.64 -1.11 0.00 0.00 175.55 172.23 3i6b s MET 44 N 2.46 1.73 0.41 -0.62 -1.94 -1.26 -0.74 119.30 119.35 3i6b s MET 44 Ca 0.34 -0.67 0.06 0.00 -1.71 0.00 0.00 55.69 53.71 3i6b s MET 44 Cb -0.16 -1.58 -0.07 0.00 2.01 0.00 0.00 34.83 35.04 3i6b s MET 44 CO 0.09 0.33 0.01 0.20 -0.01 0.00 0.00 175.02 175.65 3i6b s GLY 45 N -0.21 2.53 0.00 -0.03 0.00 -0.69 -4.97 107.32 103.95 3i6b s GLY 45 Ca 0.02 -2.07 0.20 0.00 0.00 0.00 0.00 44.72 42.87 3i6b s GLY 45 CO 0.01 -2.08 1.61 0.70 0.00 0.00 0.00 173.10 173.34 3i6b n ASN 46 N -0.98 0.00 -0.73 1.64 3.02 -1.26 -2.26 115.26 114.69 3i6b n ASN 46 Ca -0.06 -0.01 0.08 0.00 -0.03 0.00 0.00 54.58 54.56 3i6b n ASN 46 Cb 0.67 -0.28 0.11 0.00 -0.61 0.00 0.00 39.78 39.67 3i6b n ASN 46 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 3i6b n ASN 47 N -1.28 2.61 0.00 6.41 5.03 -1.26 -4.95 115.26 121.82 3i6b n ASN 47 Ca 0.09 -1.76 0.00 0.00 0.87 0.00 0.00 54.58 53.79 3i6b n ASN 47 Cb 0.15 -0.08 0.00 0.00 -1.02 0.00 0.00 39.78 38.83 3i6b n ASN 47 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 3i6b n GLY 48 N 0.94 0.88 3.76 7.41 0.00 -0.96 -5.07 105.19 112.16 3i6b n GLY 48 Ca 0.11 -0.03 -0.39 0.00 0.00 0.00 0.00 46.02 45.71 3i6b n GLY 48 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3i6b s GLU 49 N -0.73 3.61 -0.04 1.61 8.01 -1.25 -4.83 118.70 125.07 3i6b s GLU 49 Ca 0.00 2.33 -0.01 0.00 0.01 0.00 0.00 54.97 57.30 3i6b s GLU 49 Cb 0.00 -2.58 0.03 0.00 -4.31 0.00 0.00 34.13 27.27 3i6b s GLU 49 CO 0.00 -0.85 0.02 -2.00 0.01 0.00 0.00 175.26 172.45 3i6b s GLU 50 N -2.52 0.23 0.23 1.61 2.12 -1.26 -1.70 118.70 117.40 3i6b s GLU 50 Ca 0.63 0.20 0.11 0.00 0.36 0.00 0.00 54.97 56.26 3i6b s GLU 50 Cb -0.42 -0.61 -0.05 0.00 0.26 0.00 0.00 34.13 33.32 3i6b s GLU 50 CO 0.53 -0.25 -0.20 -0.51 -0.54 0.00 0.00 175.26 174.29 3i6b s LEU 51 N 1.68 2.52 0.02 2.70 1.43 0.09 -4.99 118.68 122.12 3i6b s LEU 51 Ca -0.01 -0.95 -0.02 0.00 -1.03 0.00 0.00 54.13 52.12 3i6b s LEU 51 Cb -0.13 -1.03 -0.02 0.00 0.03 0.00 0.00 46.19 45.04 3i6b s LEU 51 CO -0.03 0.03 0.01 -0.75 0.23 0.00 0.00 176.35 175.84 3i6b s LYS 52 N -3.16 0.40 -0.32 1.70 2.20 -1.26 -2.17 119.74 117.14 3i6b s LYS 52 Ca 0.24 -0.64 -0.08 0.00 -0.36 0.00 0.00 55.97 55.13 3i6b s LYS 52 Cb -0.06 0.15 0.01 0.00 -1.51 0.00 0.00 37.83 36.42 3i6b s LYS 52 CO 0.11 -0.08 0.12 0.00 -0.36 0.00 0.00 175.35 175.15 3i6b s ALA 53 N -1.80 3.16 0.10 3.13 0.00 -1.26 -5.07 121.76 120.02 3i6b s ALA 53 Ca -0.12 -1.50 -0.01 0.00 0.00 0.00 0.00 51.96 50.33 3i6b s ALA 53 Cb -0.07 -2.30 -0.04 0.00 0.00 0.00 0.00 23.12 20.71 3i6b s ALA 53 CO -0.02 -1.02 0.27 -0.06 0.00 0.00 0.00 175.76 174.93 3i6b s PHE 54 N 1.53 3.50 -0.15 0.00 0.40 -1.26 -4.22 117.98 117.78 3i6b s PHE 54 Ca 0.03 0.31 -0.16 0.00 -0.60 0.00 0.00 56.93 56.51 3i6b s PHE 54 Cb -0.18 -1.81 -0.04 0.00 0.51 0.00 0.00 43.02 41.50 3i6b s PHE 54 CO 0.04 0.53 0.37 1.21 0.70 0.00 0.00 175.22 178.07 3i6b s ASN 55 N -2.64 6.54 0.24 1.36 2.47 -1.24 -4.99 114.94 116.67 3i6b s ASN 55 Ca 0.37 0.63 0.08 0.00 0.42 0.00 0.00 52.86 54.35 3i6b s ASN 55 Cb -0.12 -2.23 0.26 0.00 -1.45 0.00 0.00 41.25 37.71 3i6b s ASN 55 CO 0.27 0.05 1.56 -0.37 -3.72 0.00 0.00 177.10 174.89 3i6b h VAL 56 N 4.72 1.44 -0.24 -5.21 -1.51 -1.96 -3.09 116.25 110.40 3i6b h VAL 56 Ca -0.41 -2.18 -0.09 0.00 -1.23 0.00 0.00 66.70 62.79 3i6b h VAL 56 Cb 1.17 2.16 -0.01 0.00 -2.13 0.00 0.00 31.29 32.47 3i6b h VAL 56 CO 0.76 0.63 -0.26 0.03 -1.23 0.00 0.00 177.57 177.50 3i6b h ARG 57 N 0.07 0.46 -0.77 5.19 3.08 -1.97 -1.86 114.38 118.57 3i6b h ARG 57 Ca -0.01 -0.17 0.06 0.00 0.07 0.00 0.00 59.98 59.93 3i6b h ARG 57 Cb 1.17 -0.03 -0.05 0.00 0.08 0.00 0.00 29.97 31.14 3i6b h ARG 57 CO 0.09 0.68 0.51 -0.44 -1.07 0.00 0.00 179.97 179.74 3i6b h ASP 58 N 0.40 0.73 -0.03 7.04 3.32 -1.89 -2.77 116.42 123.22 3i6b h ASP 58 Ca 0.06 0.00 -0.00 0.00 0.02 0.00 0.00 57.03 57.11 3i6b h ASP 58 Cb 0.66 -0.15 -0.00 0.00 0.22 0.00 0.00 39.33 40.06 3i6b h ASP 58 CO 0.05 0.47 0.02 1.23 -1.72 0.00 0.00 179.24 179.29 3i6b h GLY 59 N 0.83 0.05 0.79 2.75 0.00 -1.32 -0.64 103.07 105.52 3i6b h GLY 59 Ca 0.33 -0.02 0.04 0.00 0.00 0.00 0.00 47.33 47.68 3i6b h GLY 59 CO -0.11 0.02 0.41 -1.82 0.00 0.00 0.00 176.54 175.04 3i6b h TYR 60 N -0.01 0.76 -0.09 5.60 5.03 -1.38 0.66 116.97 127.54 3i6b h TYR 60 Ca 0.01 0.02 0.02 0.00 2.58 0.00 0.00 58.73 61.37 3i6b h TYR 60 Cb 0.05 -0.24 -0.02 0.00 1.55 0.00 0.00 36.73 38.07 3i6b h TYR 60 CO -0.06 0.41 -0.04 0.78 -1.32 0.00 0.00 178.16 177.93 3i6b h GLY 61 N 0.78 0.05 0.62 1.82 0.00 -1.27 -0.31 103.07 104.77 3i6b h GLY 61 Ca 0.29 0.05 0.08 0.00 0.00 0.00 0.00 47.33 47.74 3i6b h GLY 61 CO -0.14 -0.05 0.51 -2.22 0.00 0.00 0.00 176.54 174.65 3i6b h ILE 62 N -0.02 0.98 -0.49 2.60 2.04 -0.67 -0.24 117.51 121.70 3i6b h ILE 62 Ca 0.05 -0.31 -0.09 0.00 1.00 0.00 0.00 64.86 65.51 3i6b h ILE 62 Cb 0.10 0.00 -0.02 0.00 -0.74 0.00 0.00 36.82 36.16 3i6b h ILE 62 CO -0.11 0.16 -0.07 0.03 0.00 0.00 0.00 178.15 178.17 3i6b h ARG 63 N 0.90 0.88 -0.45 2.37 2.47 -0.50 -1.86 114.38 118.19 3i6b h ARG 63 Ca 0.39 -0.28 -0.05 0.00 -1.26 0.00 0.00 59.98 58.78 3i6b h ARG 63 Cb 0.27 -0.08 -0.02 0.00 -1.65 0.00 0.00 29.97 28.50 3i6b h ARG 63 CO -0.21 0.92 0.07 0.00 0.56 0.00 0.00 179.97 181.31 3i6b h ALA 65 N 0.95 0.30 -0.47 0.00 0.00 -0.84 -1.54 119.26 117.66 3i6b h ALA 65 Ca 0.14 0.08 -0.07 0.00 0.00 0.00 0.00 54.91 55.06 3i6b h ALA 65 Cb 0.38 0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.28 3i6b h ALA 65 CO 0.01 -0.39 0.01 -0.07 0.00 0.00 0.00 179.25 178.81 3i6b h LEU 66 N 0.11 0.72 -0.25 0.00 3.38 -1.29 -1.07 115.31 116.91 3i6b h LEU 66 Ca 0.15 -0.16 0.00 0.00 0.09 0.00 0.00 57.88 57.96 3i6b h LEU 66 Cb 0.19 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 40.75 3i6b h LEU 66 CO -0.24 0.78 -0.01 0.35 0.09 0.00 0.00 178.44 179.42 3i6b n THR 67 N -4.23 0.00 -1.74 0.22 -2.24 -0.86 -3.69 114.28 101.73 3i6b n THR 67 Ca 0.03 -0.07 -0.04 0.00 -2.27 0.00 0.00 64.05 61.70 3i6b n THR 67 Cb 0.28 -0.23 0.14 0.00 -2.10 0.00 0.00 70.33 68.43 3i6b n THR 67 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 3i6b n SER 68 N -0.71 2.83 -0.94 3.42 7.64 -0.49 -4.97 113.62 120.39 3i6b n SER 68 Ca 0.22 -3.85 -0.12 0.00 1.01 0.00 0.00 58.87 56.12 3i6b n SER 68 Cb 0.18 -0.47 -0.05 0.00 -1.01 0.00 0.00 64.21 62.86 3i6b n SER 68 CO 0.00 0.00 0.00 -0.90 -3.01 0.00 0.00 175.04 171.13 3i6b n ASP 69 N -0.98 -4.58 -4.27 6.43 3.85 -1.19 -4.97 116.55 110.84 3i6b n ASP 69 Ca 0.28 0.30 -0.35 0.00 -0.71 0.00 0.00 54.79 54.31 3i6b n ASP 69 Cb 0.79 -3.16 -0.14 0.00 -1.35 0.00 0.00 41.12 37.26 3i6b n ASP 69 CO 0.00 0.00 0.00 -0.63 -1.01 0.00 0.00 177.20 175.56 3i6b s ILE 70 N -2.42 3.30 0.47 2.12 1.01 -0.70 -4.85 121.20 120.13 3i6b s ILE 70 Ca 0.00 -0.75 -0.21 0.00 0.00 0.00 0.00 60.65 59.69 3i6b s ILE 70 Cb 0.00 -2.62 -0.08 0.00 0.01 0.00 0.00 42.46 39.77 3i6b s ILE 70 CO 0.00 0.25 1.05 -1.61 0.00 0.00 0.00 174.94 174.64 3i6b s GLU 71 N 1.42 3.83 -0.08 2.79 0.41 -0.70 -3.27 118.70 123.09 3i6b s GLU 71 Ca 0.03 1.43 0.02 0.00 -0.41 0.00 0.00 54.97 56.04 3i6b s GLU 71 Cb -0.16 -2.18 0.01 0.00 -1.78 0.00 0.00 34.13 30.02 3i6b s GLU 71 CO -0.02 -0.42 -0.15 0.08 -0.49 0.00 0.00 175.26 174.26 3i6b s VAL 72 N -1.89 1.37 0.13 2.63 1.01 -1.26 0.10 120.40 122.48 3i6b s VAL 72 Ca 0.66 -0.60 0.06 0.00 0.00 0.00 0.00 61.98 62.10 3i6b s VAL 72 Cb -0.18 -1.24 -0.04 0.00 0.00 0.00 0.00 36.38 34.92 3i6b s VAL 72 CO 0.22 0.41 -0.14 0.00 0.00 0.00 0.00 175.10 175.59 3i6b s ALA 73 N 0.71 1.52 -0.13 5.51 0.00 0.12 -4.34 121.76 125.15 3i6b s ALA 73 Ca -0.13 -1.32 0.01 0.00 0.00 0.00 0.00 51.96 50.52 3i6b s ALA 73 Cb -0.16 -0.07 0.02 0.00 0.00 0.00 0.00 23.12 22.91 3i6b s ALA 73 CO 0.03 0.09 -0.15 0.42 0.00 0.00 0.00 175.76 176.15 3i6b s ILE 74 N -2.22 1.60 -0.18 0.00 1.01 -0.16 -0.33 121.20 120.92 3i6b s ILE 74 Ca 0.10 -0.67 -0.01 0.00 0.00 0.00 0.00 60.65 60.07 3i6b s ILE 74 Cb -0.04 -1.47 0.00 0.00 0.01 0.00 0.00 42.46 40.96 3i6b s ILE 74 CO 0.03 0.46 -0.14 -0.63 0.00 0.00 0.00 174.94 174.67 3i6b s ILE 75 N 1.25 2.66 0.02 2.92 1.01 -1.05 -0.08 121.20 127.93 3i6b s ILE 75 Ca -0.00 -0.75 0.01 0.00 0.00 0.00 0.00 60.65 59.91 3i6b s ILE 75 Cb -0.14 -2.15 -0.02 0.00 0.01 0.00 0.00 42.46 40.16 3i6b s ILE 75 CO -0.07 0.50 -0.05 0.28 0.00 0.00 0.00 174.94 175.60 3i6b s THR 76 N 1.19 0.27 0.17 2.92 -1.32 -0.00 -4.44 115.64 114.43 3i6b s THR 76 Ca 0.02 -0.84 0.07 0.00 -1.21 0.00 0.00 61.69 59.73 3i6b s THR 76 Cb -0.14 -0.37 -0.15 0.00 -1.51 0.00 0.00 72.50 70.33 3i6b s THR 76 CO -0.06 -0.37 1.39 1.23 -2.21 0.00 0.00 174.62 174.60 3i6b h GLY 77 N 4.83 0.04 -1.53 6.08 0.00 -1.86 -0.73 103.07 109.89 3i6b h GLY 77 Ca -0.32 -0.09 -0.48 0.00 0.00 0.00 0.00 47.33 46.44 3i6b h GLY 77 CO 0.42 0.08 0.22 0.50 0.00 0.00 0.00 176.54 177.76 3i6b s ARG 78 N -3.06 3.02 -0.09 4.80 0.52 -1.26 -3.44 118.95 119.43 3i6b s ARG 78 Ca -0.00 0.13 0.01 0.00 -0.52 0.00 0.00 55.73 55.35 3i6b s ARG 78 Cb 0.11 -2.23 0.02 0.00 0.52 0.00 0.00 34.95 33.36 3i6b s ARG 78 CO 0.81 -0.69 -0.11 0.21 0.02 0.00 0.00 175.30 175.53 3i6b s LYS 79 N -5.03 1.77 -0.26 3.54 2.20 -1.26 -2.07 119.74 118.63 3i6b s LYS 79 Ca 0.54 -0.40 -0.23 0.00 -0.36 0.00 0.00 55.97 55.52 3i6b s LYS 79 Cb -0.11 -1.58 0.07 0.00 -1.51 0.00 0.00 37.83 34.70 3i6b s LYS 79 CO 0.47 -0.09 0.68 0.00 -0.36 0.00 0.00 175.35 176.05 3i6b s ALA 80 N 1.08 -1.71 0.44 3.13 0.00 -1.26 -5.03 121.76 118.40 3i6b s ALA 80 Ca -0.06 1.99 0.11 0.00 0.00 0.00 0.00 51.96 54.00 3i6b s ALA 80 Cb -0.15 -1.16 0.97 0.00 0.00 0.00 0.00 23.12 22.78 3i6b s ALA 80 CO -0.02 -0.33 2.03 -0.22 0.00 0.00 0.00 175.76 177.23 3i6b h LYS 81 N 5.31 0.24 -0.32 0.00 1.63 -1.99 -2.78 116.57 118.66 3i6b h LYS 81 Ca -0.29 -0.03 -0.00 0.00 -0.85 0.00 0.00 60.65 59.48 3i6b h LYS 81 Cb 1.17 -0.05 -0.02 0.00 -0.60 0.00 0.00 32.23 32.74 3i6b h LYS 81 CO 0.08 0.24 0.20 1.37 -3.45 0.00 0.00 179.45 177.90 3i6b h LEU 82 N 0.24 0.37 -0.23 5.20 8.10 -1.96 0.14 115.31 127.18 3i6b h LEU 82 Ca 0.06 -0.01 -0.17 0.00 0.11 0.00 0.00 57.88 57.87 3i6b h LEU 82 Cb 0.13 -0.09 0.00 0.00 -0.44 0.00 0.00 40.66 40.26 3i6b h LEU 82 CO -0.00 0.28 -0.52 0.58 -4.11 0.00 0.00 178.44 174.68 3i6b h VAL 83 N 0.44 1.30 -0.87 0.15 2.07 -1.92 -1.49 116.25 115.92 3i6b h VAL 83 Ca 0.12 -1.73 0.02 0.00 0.82 0.00 0.00 66.70 65.93 3i6b h VAL 83 Cb -0.03 1.80 -0.05 0.00 -1.52 0.00 0.00 31.29 31.50 3i6b h VAL 83 CO -0.02 0.55 0.57 -0.33 0.02 0.00 0.00 177.57 178.36 3i6b h GLU 84 N 0.48 1.12 -0.43 1.57 5.08 -1.27 -1.08 114.58 120.06 3i6b h GLU 84 Ca -0.00 -0.07 -0.04 0.00 -1.00 0.00 0.00 59.36 58.25 3i6b h GLU 84 Cb 1.13 -0.25 -0.02 0.00 0.50 0.00 0.00 28.75 30.11 3i6b h GLU 84 CO 0.11 0.74 0.11 -0.44 -1.00 0.00 0.00 179.01 178.53 3i6b h ASP 85 N 1.15 0.64 -0.79 1.42 3.32 -0.64 -1.72 116.42 119.80 3i6b h ASP 85 Ca 0.33 -0.23 -0.03 0.00 0.02 0.00 0.00 57.03 57.12 3i6b h ASP 85 Cb -0.08 -0.17 -0.04 0.00 0.22 0.00 0.00 39.33 39.26 3i6b h ASP 85 CO -0.09 0.70 0.39 -0.09 -1.72 0.00 0.00 179.24 178.43 3i6b h ARG 86 N 0.55 1.14 -0.39 3.56 9.65 -1.04 -2.10 114.38 125.74 3i6b h ARG 86 Ca 0.13 -0.16 -0.04 0.00 -1.10 0.00 0.00 59.98 58.81 3i6b h ARG 86 Cb 0.31 -0.21 -0.02 0.00 -1.39 0.00 0.00 29.97 28.67 3i6b h ARG 86 CO 0.00 0.87 0.07 0.00 2.80 0.00 0.00 179.97 183.71 3i6b h ALA 88 N 0.93 0.93 -0.36 0.00 0.00 -1.12 0.99 119.26 120.64 3i6b h ALA 88 Ca 0.12 -0.03 0.04 0.00 0.00 0.00 0.00 54.91 55.04 3i6b h ALA 88 Cb 0.36 -0.24 -0.04 0.00 0.00 0.00 0.00 17.79 17.87 3i6b h ALA 88 CO 0.01 0.25 0.13 1.15 0.00 0.00 0.00 179.25 180.79 3i6b h THR 89 N 0.89 0.91 0.00 0.00 2.02 -1.29 -2.98 112.91 112.46 3i6b h THR 89 Ca 0.28 -0.10 0.00 0.00 0.77 0.00 0.00 66.41 67.36 3i6b h THR 89 Cb -0.00 0.60 0.00 0.00 -1.74 0.00 0.00 68.15 67.00 3i6b h THR 89 CO -0.10 0.05 -0.14 0.18 0.37 0.00 0.00 175.52 175.89 3i6b n LEU 90 N -5.00 0.59 0.00 2.58 4.77 -0.93 -4.92 117.00 114.07 3i6b n LEU 90 Ca 0.01 0.46 0.00 0.00 -0.03 0.00 0.00 56.01 56.45 3i6b n LEU 90 Cb 0.12 -0.33 0.00 0.00 -2.33 0.00 0.00 43.42 40.88 3i6b n LEU 90 CO 0.28 -0.10 0.00 0.61 -1.33 0.00 0.00 177.39 176.85 3i6b n GLY 91 N 1.37 0.46 3.67 -0.72 0.00 0.17 -4.73 105.19 105.42 3i6b n GLY 91 Ca 0.06 -0.89 -0.43 0.00 0.00 0.00 0.00 46.02 44.76 3i6b n GLY 91 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3i6b s ILE 92 N -2.00 4.62 -0.06 -0.61 1.01 -0.21 -4.92 121.20 119.02 3i6b s ILE 92 Ca 0.00 1.93 0.16 0.00 0.00 0.00 0.00 60.65 62.74 3i6b s ILE 92 Cb 0.00 -4.24 -0.24 0.00 0.01 0.00 0.00 42.46 37.99 3i6b s ILE 92 CO 0.00 -0.09 0.28 0.35 0.00 0.00 0.00 174.94 175.47 3i6b n THR 93 N 5.00 0.33 -3.06 2.92 -2.24 -1.26 -4.38 114.28 111.58 3i6b n THR 93 Ca 0.11 -0.47 -0.44 0.00 -2.27 0.00 0.00 64.05 60.97 3i6b n THR 93 Cb 0.47 -0.10 -0.04 0.00 -2.10 0.00 0.00 70.33 68.56 3i6b n THR 93 CO 0.00 0.00 0.00 -1.00 -0.57 0.00 0.00 175.07 173.50 3i6b s HIS 94 N -2.94 2.99 -0.07 4.78 3.76 -1.26 -5.01 115.29 117.54 3i6b s HIS 94 Ca -0.07 -0.99 0.01 0.00 -0.15 0.00 0.00 55.06 53.87 3i6b s HIS 94 Cb 0.09 -4.08 0.02 0.00 1.11 0.00 0.00 32.58 29.71 3i6b s HIS 94 CO 0.69 -1.36 -0.09 -1.17 -0.85 0.00 0.00 174.74 171.96 3i6b s LEU 95 N 2.80 1.44 -0.20 0.89 2.96 -1.26 -0.99 118.68 124.33 3i6b s LEU 95 Ca 0.16 -0.24 0.00 0.00 -0.22 0.00 0.00 54.13 53.83 3i6b s LEU 95 Cb -0.20 -0.70 0.05 0.00 0.50 0.00 0.00 46.19 45.83 3i6b s LEU 95 CO 0.05 -0.02 -0.06 -0.31 -1.32 0.00 0.00 176.35 174.68 3i6b s TYR 96 N 0.95 2.10 0.22 5.38 1.51 0.88 -4.99 117.35 123.40 3i6b s TYR 96 Ca -0.10 -1.45 0.09 0.00 -1.01 0.00 0.00 57.07 54.60 3i6b s TYR 96 Cb -0.15 -1.48 -0.04 0.00 -0.11 0.00 0.00 41.96 40.18 3i6b s TYR 96 CO 0.00 -0.71 -0.04 -0.65 -1.11 0.00 0.00 175.55 173.05 3i6b s GLN 97 N 1.50 2.22 -0.90 -0.62 -0.21 -1.26 -0.82 119.66 119.56 3i6b s GLN 97 Ca -0.02 -1.32 -0.00 0.00 0.02 0.00 0.00 55.36 54.04 3i6b s GLN 97 Cb -0.17 -2.19 0.00 0.00 1.00 0.00 0.00 33.01 31.65 3i6b s GLN 97 CO -0.07 0.40 0.05 0.41 -2.12 0.00 0.00 175.29 173.96 3i6b n GLY 98 N -0.43 -0.05 3.43 3.09 0.00 -0.85 -4.95 105.19 105.44 3i6b n GLY 98 Ca -0.08 -0.42 -0.44 0.00 0.00 0.00 0.00 46.02 45.08 3i6b n GLY 98 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3i6b s GLN 99 N -4.62 3.11 0.10 1.61 -1.52 -0.34 -4.89 119.66 113.11 3i6b s GLN 99 Ca 0.02 -0.96 -0.13 0.00 -1.95 0.00 0.00 55.36 52.35 3i6b s GLN 99 Cb -0.01 -4.14 -0.16 0.00 -0.22 0.00 0.00 33.01 28.48 3i6b s GLN 99 CO 0.03 -1.34 1.30 0.66 -0.25 0.00 0.00 175.29 175.69 3i6b h SER 100 N 9.08 0.96 -3.66 5.90 4.64 -1.87 -3.33 113.55 125.28 3i6b h SER 100 Ca -0.28 -0.63 -0.69 0.00 -0.47 0.00 0.00 61.79 59.72 3i6b h SER 100 Cb 1.09 -0.28 -0.29 0.00 -0.31 0.00 0.00 62.40 62.61 3i6b h SER 100 CO 1.01 1.43 -0.64 0.21 -0.87 0.00 0.00 176.83 177.98 3i6b s ASN 101 N -7.12 5.11 0.30 4.97 2.47 -1.26 -4.99 114.94 114.42 3i6b s ASN 101 Ca -0.10 -1.04 0.26 0.00 0.42 0.00 0.00 52.86 52.39 3i6b s ASN 101 Cb 0.09 -1.83 0.81 0.00 -1.45 0.00 0.00 41.25 38.87 3i6b s ASN 101 CO 0.91 -0.27 1.75 0.11 -3.72 0.00 0.00 177.10 175.88 3i6b h LYS 102 N 8.17 0.00 0.00 0.43 1.57 -1.88 -3.21 116.57 121.65 3i6b h LYS 102 Ca -0.26 0.00 -0.05 0.00 -1.87 0.00 0.00 60.65 58.47 3i6b h LYS 102 Cb 1.09 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.39 3i6b h LYS 102 CO 0.59 0.00 -0.24 -0.07 -0.57 0.00 0.00 179.45 179.16 3i6b h LEU 103 N 0.00 0.00 -0.23 2.94 3.38 -1.94 -2.27 115.31 117.20 3i6b h LEU 103 Ca 0.00 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 57.90 3i6b h LEU 103 Cb 0.68 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.43 3i6b h LEU 103 CO 0.00 0.24 -0.13 0.40 0.09 0.00 0.00 178.44 179.04 3i6b h ILE 104 N 0.00 1.31 -0.60 1.22 2.04 -2.00 -0.96 117.51 118.53 3i6b h ILE 104 Ca -0.00 -1.22 -0.10 0.00 1.00 0.00 0.00 64.86 64.53 3i6b h ILE 104 Cb 0.45 1.63 -0.02 0.00 -0.74 0.00 0.00 36.82 38.13 3i6b h ILE 104 CO 0.03 0.38 -0.02 0.00 0.00 0.00 0.00 178.15 178.53 3i6b h ALA 105 N 0.70 0.83 -0.16 1.87 0.00 -1.73 -2.55 119.26 118.22 3i6b h ALA 105 Ca 0.05 -0.32 0.04 0.00 0.00 0.00 0.00 54.91 54.68 3i6b h ALA 105 Cb 0.64 -0.22 -0.05 0.00 0.00 0.00 0.00 17.79 18.16 3i6b h ALA 105 CO 0.04 0.67 -0.13 0.35 0.00 0.00 0.00 179.25 180.18 3i6b h PHE 106 N 0.97 -0.32 -0.65 0.00 3.04 -1.30 -0.98 116.94 117.69 3i6b h PHE 106 Ca 0.17 0.02 0.09 0.00 3.98 0.00 0.00 57.97 62.22 3i6b h PHE 106 Cb 0.59 0.17 -0.07 0.00 2.56 0.00 0.00 35.95 39.20 3i6b h PHE 106 CO 0.04 -0.19 0.30 0.77 -2.02 0.00 0.00 178.31 177.21 3i6b h SER 107 N -0.14 0.37 -0.74 0.41 0.02 -1.12 -2.15 113.55 110.20 3i6b h SER 107 Ca 0.10 0.06 -0.01 0.00 -0.84 0.00 0.00 61.79 61.10 3i6b h SER 107 Cb 0.29 0.00 -0.04 0.00 0.14 0.00 0.00 62.40 62.80 3i6b h SER 107 CO -0.24 0.22 0.44 -0.78 -1.14 0.00 0.00 176.83 175.32 3i6b h ASP 108 N 0.53 0.90 -0.60 3.07 3.58 -0.96 -2.72 116.42 120.22 3i6b h ASP 108 Ca 0.32 -0.07 -0.08 0.00 0.42 0.00 0.00 57.03 57.62 3i6b h ASP 108 Cb 0.34 -0.23 -0.02 0.00 1.72 0.00 0.00 39.33 41.14 3i6b h ASP 108 CO -0.27 0.71 0.06 -0.07 -2.88 0.00 0.00 179.24 176.80 3i6b h LEU 109 N 1.02 0.98 -0.50 2.28 3.38 -0.76 -1.34 115.31 120.36 3i6b h LEU 109 Ca 0.26 -0.28 0.05 0.00 0.09 0.00 0.00 57.88 58.00 3i6b h LEU 109 Cb -0.01 -0.26 -0.05 0.00 0.09 0.00 0.00 40.66 40.43 3i6b h LEU 109 CO -0.05 1.01 0.24 -0.07 0.09 0.00 0.00 178.44 179.67 3i6b h LEU 110 N 0.91 0.33 -0.07 1.67 3.38 -1.15 -0.28 115.31 120.12 3i6b h LEU 110 Ca 0.18 0.03 -0.16 0.00 0.09 0.00 0.00 57.88 58.02 3i6b h LEU 110 Cb 0.47 -0.02 0.01 0.00 0.09 0.00 0.00 40.66 41.21 3i6b h LEU 110 CO 0.02 0.23 -0.59 -0.33 0.09 0.00 0.00 178.44 177.86 3i6b h GLU 111 N 0.47 0.52 -0.69 1.13 4.39 -1.39 -0.78 114.58 118.22 3i6b h GLU 111 Ca 0.22 -0.47 -0.01 0.00 0.34 0.00 0.00 59.36 59.45 3i6b h GLU 111 Cb 0.16 0.11 -0.03 0.00 -0.10 0.00 0.00 28.75 28.88 3i6b h GLU 111 CO -0.17 1.10 0.41 0.87 -1.16 0.00 0.00 179.01 180.06 3i6b h LYS 112 N 0.10 0.95 -0.01 2.33 1.57 -1.15 -2.92 116.57 117.44 3i6b h LYS 112 Ca -0.05 -0.09 0.00 0.00 -1.87 0.00 0.00 60.65 58.63 3i6b h LYS 112 Cb 1.25 -0.20 0.00 0.00 0.08 0.00 0.00 32.23 33.37 3i6b h LYS 112 CO 0.12 0.68 -0.26 1.28 -0.57 0.00 0.00 179.45 180.70 3i6b n LEU 113 N -4.53 1.37 -3.78 2.94 4.77 -0.12 -4.97 117.00 112.68 3i6b n LEU 113 Ca 0.06 -0.42 -0.26 0.00 -0.03 0.00 0.00 56.01 55.35 3i6b n LEU 113 Cb 0.06 -0.08 0.04 0.00 -2.33 0.00 0.00 43.42 41.12 3i6b n LEU 113 CO 0.37 0.25 0.10 0.00 -1.33 0.00 0.00 177.39 176.78 3i6b n ALA 114 N -0.33 -1.48 -2.53 -1.18 0.00 -0.37 -5.01 120.51 109.60 3i6b n ALA 114 Ca 0.13 0.15 -0.27 0.00 0.00 0.00 0.00 53.44 53.45 3i6b n ALA 114 Cb 0.38 -4.09 -0.09 0.00 0.00 0.00 0.00 19.45 15.66 3i6b n ALA 114 CO 0.00 0.00 0.00 0.96 0.00 0.00 0.00 177.50 178.46 3i6b s ILE 115 N -3.38 2.07 0.24 0.00 -4.36 -0.78 -5.04 121.20 109.95 3i6b s ILE 115 Ca 0.48 -1.84 0.07 0.00 -0.26 0.00 0.00 60.65 59.10 3i6b s ILE 115 Cb -0.23 -2.91 -0.04 0.00 1.25 0.00 0.00 42.46 40.53 3i6b s ILE 115 CO 0.80 0.00 0.19 0.00 0.24 0.00 0.00 174.94 176.17 3i6b s ALA 116 N -2.67 3.59 0.28 2.27 0.00 -1.26 -4.73 121.76 119.23 3i6b s ALA 116 Ca 0.36 -1.39 0.01 0.00 0.00 0.00 0.00 51.96 50.94 3i6b s ALA 116 Cb 0.06 -1.31 0.57 0.00 0.00 0.00 0.00 23.12 22.44 3i6b s ALA 116 CO 0.19 0.28 1.79 -1.35 0.00 0.00 0.00 175.76 176.68 3i6b h PRO 117 N 1.60 0.77 0.00 0.00 0.11 -1.97 -0.49 132.00 132.02 3i6b h PRO 117 Ca -0.48 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 65.58 3i6b h PRO 117 Cb 1.23 -0.17 0.00 0.00 0.11 0.00 0.00 31.00 32.17 3i6b h PRO 117 CO 0.61 0.51 0.00 1.05 -0.21 0.00 0.00 178.00 179.96 3i6b h GLU 118 N 0.80 0.00 -0.26 1.05 9.09 -1.87 0.59 114.58 123.97 3i6b h GLU 118 Ca 0.50 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.91 3i6b h GLU 118 Cb 0.63 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.73 3i6b h GLU 118 CO -0.32 0.00 0.00 0.09 0.05 0.00 0.00 179.01 178.83 3i6b n ASN 119 N -2.37 1.79 -4.49 3.06 3.02 -0.19 -4.07 115.26 112.01 3i6b n ASN 119 Ca -0.01 -1.85 -0.32 0.00 -0.03 0.00 0.00 54.58 52.37 3i6b n ASN 119 Cb 0.08 -0.17 -0.12 0.00 -0.61 0.00 0.00 39.78 38.95 3i6b n ASN 119 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 3i6b s VAL 120 N -1.66 3.06 0.01 2.41 1.01 0.14 -0.67 120.40 124.70 3i6b s VAL 120 Ca 0.28 -0.93 0.08 0.00 0.00 0.00 0.00 61.98 61.42 3i6b s VAL 120 Cb 0.15 -2.26 -0.02 0.00 0.00 0.00 0.00 36.38 34.25 3i6b s VAL 120 CO 0.21 0.45 -0.25 0.00 0.00 0.00 0.00 175.10 175.51 3i6b s ALA 121 N -0.86 2.24 -0.07 5.51 0.00 -0.03 -1.64 121.76 126.91 3i6b s ALA 121 Ca 0.14 -1.18 0.01 0.00 0.00 0.00 0.00 51.96 50.93 3i6b s ALA 121 Cb -0.11 -0.55 0.02 0.00 0.00 0.00 0.00 23.12 22.49 3i6b s ALA 121 CO 0.04 0.53 -0.08 -0.47 0.00 0.00 0.00 175.76 175.78 3i6b s TYR 122 N -0.70 1.17 -0.25 0.00 5.04 -0.62 0.04 117.35 122.02 3i6b s TYR 122 Ca 0.11 -0.44 -0.06 0.00 -2.44 0.00 0.00 57.07 54.24 3i6b s TYR 122 Cb -0.10 -0.94 -0.01 0.00 0.35 0.00 0.00 41.96 41.25 3i6b s TYR 122 CO 0.00 -0.30 0.03 0.08 -1.34 0.00 0.00 175.55 174.03 3i6b s VAL 123 N 1.03 3.85 0.32 3.14 1.01 -0.71 -0.19 120.40 128.85 3i6b s VAL 123 Ca -0.08 -0.43 0.03 0.00 0.00 0.00 0.00 61.98 61.49 3i6b s VAL 123 Cb -0.14 -2.83 -0.05 0.00 0.00 0.00 0.00 36.38 33.35 3i6b s VAL 123 CO -0.00 0.31 0.08 -0.83 0.00 0.00 0.00 175.10 174.66 3i6b s GLY 124 N 1.53 2.05 0.00 4.51 0.00 0.35 -2.69 107.32 113.07 3i6b s GLY 124 Ca 0.05 -1.87 0.00 0.00 0.00 0.00 0.00 44.72 42.90 3i6b s GLY 124 CO 0.01 -1.74 0.00 1.34 0.00 0.00 0.00 173.10 172.71 3i6b n ASP 125 N -0.72 0.53 -4.05 1.64 2.03 -1.26 -2.33 116.55 112.39 3i6b n ASP 125 Ca -0.02 -0.01 -0.12 0.00 0.52 0.00 0.00 54.79 55.16 3i6b n ASP 125 Cb 0.66 0.13 -0.08 0.00 -0.72 0.00 0.00 41.12 41.11 3i6b n ASP 125 CO 0.00 0.00 0.00 -0.62 -1.92 0.00 0.00 177.20 174.66 3i6b s ASP 126 N -0.24 0.21 0.44 1.67 -1.08 -1.26 -0.43 116.67 115.99 3i6b s ASP 126 Ca 0.00 -1.29 0.13 0.00 -0.52 0.00 0.00 52.55 50.87 3i6b s ASP 126 Cb 0.00 0.46 0.98 0.00 -1.46 0.00 0.00 42.92 42.90 3i6b s ASP 126 CO 0.00 -0.96 2.00 -0.07 0.52 0.00 0.00 175.17 176.67 3i6b h LEU 127 N 2.47 0.08 -2.07 -1.34 3.38 -1.99 -1.95 115.31 113.89 3i6b h LEU 127 Ca -0.32 -0.01 0.10 0.00 0.09 0.00 0.00 57.88 57.74 3i6b h LEU 127 Cb 1.25 -0.02 -0.01 0.00 0.09 0.00 0.00 40.66 41.96 3i6b h LEU 127 CO 0.47 0.21 0.34 -0.29 0.09 0.00 0.00 178.44 179.26 3i6b h ILE 128 N 0.08 0.49 0.00 1.22 6.09 -2.00 -1.58 117.51 121.81 3i6b h ILE 128 Ca 0.02 0.00 -0.02 0.00 -1.37 0.00 0.00 64.86 63.48 3i6b h ILE 128 Cb 0.27 0.74 -0.00 0.00 0.47 0.00 0.00 36.82 38.29 3i6b h ILE 128 CO 0.02 0.00 -0.11 0.44 -3.07 0.00 0.00 178.15 175.42 3i6b h ASP 129 N 0.00 0.00 -0.83 2.19 3.32 -1.78 -3.38 116.42 115.94 3i6b h ASP 129 Ca 0.17 0.00 -0.00 0.00 0.02 0.00 0.00 57.03 57.21 3i6b h ASP 129 Cb 0.85 0.00 -0.04 0.00 0.22 0.00 0.00 39.33 40.36 3i6b h ASP 129 CO -0.00 0.11 0.50 -0.25 -1.72 0.00 0.00 179.24 177.88 3i6b h TRP 130 N 0.00 1.09 -0.97 4.55 2.91 -1.42 -0.47 115.95 121.65 3i6b h TRP 130 Ca -0.00 -0.00 0.21 0.00 1.13 0.00 0.00 58.89 60.23 3i6b h TRP 130 Cb 0.96 -0.36 -0.09 0.00 -0.51 0.00 0.00 29.16 29.16 3i6b h TRP 130 CO 0.00 0.73 0.62 -1.35 -1.03 0.00 0.00 178.44 177.41 3i6b h PRO 131 N 1.14 0.52 0.04 2.65 0.11 -1.77 0.13 132.00 134.82 3i6b h PRO 131 Ca 0.30 -0.03 -0.08 0.00 0.11 0.00 0.00 66.00 66.30 3i6b h PRO 131 Cb -0.05 -0.12 0.00 0.00 0.11 0.00 0.00 31.00 30.95 3i6b h PRO 131 CO -0.06 0.35 -0.38 0.28 -0.21 0.00 0.00 178.00 177.98 3i6b h VAL 132 N 0.54 1.62 -0.77 3.15 2.07 -1.72 -3.36 116.25 117.77 3i6b h VAL 132 Ca 0.53 -2.39 0.14 0.00 0.82 0.00 0.00 66.70 65.81 3i6b h VAL 132 Cb 1.14 3.23 -0.05 0.00 -1.52 0.00 0.00 31.29 34.08 3i6b h VAL 132 CO -0.27 0.62 0.51 0.24 0.02 0.00 0.00 177.57 178.69 3i6b h MET 133 N -0.80 0.46 0.00 1.57 2.86 -0.60 0.36 114.93 118.78 3i6b h MET 133 Ca -0.08 -0.03 -0.00 0.00 -2.06 0.00 0.00 59.70 57.53 3i6b h MET 133 Cb 1.23 -0.10 -0.00 0.00 0.06 0.00 0.00 31.60 32.78 3i6b h MET 133 CO 0.03 0.30 -0.01 1.49 1.06 0.00 0.00 176.91 179.78 3i6b h GLU 134 N 0.47 0.00 0.00 1.72 4.81 -0.90 -3.12 114.58 117.56 3i6b h GLU 134 Ca 0.38 0.00 -0.04 0.00 -0.13 0.00 0.00 59.36 59.56 3i6b h GLU 134 Cb 0.80 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.17 3i6b h GLU 134 CO -0.13 0.01 -1.98 1.63 -0.73 0.00 0.00 179.01 177.81 3i6b n LYS 135 N -3.52 0.66 -1.98 1.92 5.02 0.11 -5.02 118.16 115.35 3i6b n LYS 135 Ca -0.03 -0.15 -0.29 0.00 -2.02 0.00 0.00 58.31 55.82 3i6b n LYS 135 Cb 0.09 -1.54 0.07 0.00 -0.02 0.00 0.00 35.03 33.62 3i6b n LYS 135 CO 0.00 0.00 0.00 0.14 -0.52 0.00 0.00 177.40 177.02 3i6b s VAL 136 N -3.38 2.69 0.15 -0.18 -7.23 -1.18 -4.52 120.40 106.74 3i6b s VAL 136 Ca -0.08 0.13 -0.08 0.00 -1.81 0.00 0.00 61.98 60.14 3i6b s VAL 136 Cb 0.13 -3.20 -0.09 0.00 0.56 0.00 0.00 36.38 33.77 3i6b s VAL 136 CO 0.89 -0.26 1.42 1.23 -0.31 0.00 0.00 175.10 178.08 3i6b h GLY 137 N -0.78 0.81 -7.20 2.32 0.00 -0.65 -3.42 103.07 94.14 3i6b h GLY 137 Ca -0.45 -0.99 -0.55 0.00 0.00 0.00 0.00 47.33 45.34 3i6b h GLY 137 CO 0.64 0.88 -0.76 -2.27 0.00 0.00 0.00 176.54 175.03 3i6b s LEU 138 N -8.48 1.56 -0.02 3.11 2.96 -0.92 -4.89 118.68 112.00 3i6b s LEU 138 Ca -0.09 -1.17 -0.15 0.00 -0.22 0.00 0.00 54.13 52.49 3i6b s LEU 138 Cb 0.10 -0.70 -0.06 0.00 0.50 0.00 0.00 46.19 46.04 3i6b s LEU 138 CO 0.88 -0.35 0.42 -0.94 -1.32 0.00 0.00 176.35 175.03 3i6b s SER 139 N 1.77 6.79 -0.05 3.68 1.04 -1.26 -1.59 113.70 124.09 3i6b s SER 139 Ca 0.03 0.94 0.01 0.00 0.48 0.00 0.00 55.95 57.42 3i6b s SER 139 Cb -0.17 -2.26 0.02 0.00 0.10 0.00 0.00 66.02 63.71 3i6b s SER 139 CO -0.17 0.27 -0.06 -0.69 0.98 0.00 0.00 173.24 173.57 3i6b s VAL 140 N -0.80 0.69 -0.14 5.02 1.01 0.73 -1.60 120.40 125.32 3i6b s VAL 140 Ca 0.24 -0.21 -0.05 0.00 0.00 0.00 0.00 61.98 61.96 3i6b s VAL 140 Cb -0.16 -0.69 -0.04 0.00 0.00 0.00 0.00 36.38 35.49 3i6b s VAL 140 CO 0.13 0.26 0.04 0.00 0.00 0.00 0.00 175.10 175.53 3i6b s ALA 141 N 0.88 3.37 0.76 5.51 0.00 -0.59 -0.49 121.76 131.19 3i6b s ALA 141 Ca -0.11 -0.76 -0.12 0.00 0.00 0.00 0.00 51.96 50.97 3i6b s ALA 141 Cb -0.15 -1.72 0.05 0.00 0.00 0.00 0.00 23.12 21.31 3i6b s ALA 141 CO 0.01 0.39 1.10 0.14 0.00 0.00 0.00 175.76 177.40 3i6b s VAL 142 N -0.26 3.19 0.27 0.00 -7.23 -0.99 -1.63 120.40 113.75 3i6b s VAL 142 Ca 0.07 0.43 -0.00 0.00 -1.81 0.00 0.00 61.98 60.66 3i6b s VAL 142 Cb -0.12 -2.89 0.25 0.00 0.56 0.00 0.00 36.38 34.18 3i6b s VAL 142 CO 0.02 -0.47 1.79 0.00 -0.31 0.00 0.00 175.10 176.13 3i6b h ALA 143 N -0.91 1.36 -0.66 1.32 0.00 -1.59 -2.19 119.26 116.58 3i6b h ALA 143 Ca -0.44 0.06 -0.34 0.00 0.00 0.00 0.00 54.91 54.19 3i6b h ALA 143 Cb 1.24 -0.09 -0.20 0.00 0.00 0.00 0.00 17.79 18.73 3i6b h ALA 143 CO 0.51 0.03 0.27 -0.40 0.00 0.00 0.00 179.25 179.66 3i6b n ASP 144 N -4.77 3.12 -4.32 0.00 5.75 -1.26 -5.00 116.55 110.08 3i6b n ASP 144 Ca 0.17 -3.69 -0.29 0.00 -0.01 0.00 0.00 54.79 50.98 3i6b n ASP 144 Cb 0.40 -0.73 0.24 0.00 -1.03 0.00 0.00 41.12 39.99 3i6b n ASP 144 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3i6b s ALA 145 N -3.27 -0.05 0.25 2.12 0.00 -0.83 -4.93 121.76 115.05 3i6b s ALA 145 Ca 0.51 -0.42 -0.31 0.00 0.00 0.00 0.00 51.96 51.73 3i6b s ALA 145 Cb 0.44 -3.11 -0.13 0.00 0.00 0.00 0.00 23.12 20.32 3i6b s ALA 145 CO 0.05 -3.68 1.51 1.58 0.00 0.00 0.00 175.76 175.22 3i6b n HIS 146 N -4.82 2.45 -0.32 0.00 -0.00 0.43 -4.87 115.22 108.09 3i6b n HIS 146 Ca 0.06 0.33 0.16 0.00 0.46 0.00 0.00 57.72 58.72 3i6b n HIS 146 Cb 0.57 -2.53 0.35 0.00 -0.12 0.00 0.00 29.99 28.26 3i6b n HIS 146 CO 0.00 0.00 0.00 -1.35 0.46 0.00 0.00 176.34 175.45 3i6b h PRO 147 N 4.75 0.41 0.00 1.57 0.11 -1.91 0.71 132.00 137.65 3i6b h PRO 147 Ca -0.46 -0.02 -0.01 0.00 0.11 0.00 0.00 66.00 65.62 3i6b h PRO 147 Cb 1.25 -0.09 -0.00 0.00 0.11 0.00 0.00 31.00 32.27 3i6b h PRO 147 CO 0.80 0.27 -0.05 -0.07 -0.21 0.00 0.00 178.00 178.74 3i6b h LEU 148 N 0.42 0.00 0.05 2.35 3.38 -1.99 -3.17 115.31 116.35 3i6b h LEU 148 Ca 0.61 0.00 -0.28 0.00 0.09 0.00 0.00 57.88 58.30 3i6b h LEU 148 Cb 1.19 0.00 0.02 0.00 0.09 0.00 0.00 40.66 41.97 3i6b h LEU 148 CO -0.53 0.05 -1.14 0.25 0.09 0.00 0.00 178.44 177.15 3i6b h LEU 149 N 0.00 0.88 -0.40 1.67 5.85 -1.21 -3.39 115.31 118.71 3i6b h LEU 149 Ca -0.00 -0.75 0.08 0.00 0.84 0.00 0.00 57.88 58.05 3i6b h LEU 149 Cb 0.64 -0.27 -0.09 0.00 0.37 0.00 0.00 40.66 41.31 3i6b h LEU 149 CO 0.01 1.56 -0.22 0.40 -0.34 0.00 0.00 178.44 179.85 3i6b h ILE 150 N 0.33 0.39 0.00 4.05 2.04 -1.50 -1.37 117.51 121.45 3i6b h ILE 150 Ca -0.16 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.70 3i6b h ILE 150 Cb 1.80 0.39 0.00 0.00 -0.74 0.00 0.00 36.82 38.26 3i6b h ILE 150 CO 0.22 0.00 0.00 -2.65 0.00 0.00 0.00 178.15 175.72 3i6b n PRO 151 N -5.39 0.10 0.03 2.37 -0.02 -1.26 -2.99 135.00 127.85 3i6b n PRO 151 Ca 0.02 0.48 -0.03 0.00 -2.02 0.00 0.00 63.50 61.94 3i6b n PRO 151 Cb 0.30 -1.76 -0.09 0.00 -0.02 0.00 0.00 33.50 31.93 3i6b n PRO 151 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3i6b h ARG 152 N 0.00 0.00 -7.15 -0.52 3.08 -1.46 -3.48 114.38 104.85 3i6b h ARG 152 Ca 0.00 0.00 -0.48 0.00 0.07 0.00 0.00 59.98 59.57 3i6b h ARG 152 Cb 0.15 0.00 0.03 0.00 0.08 0.00 0.00 29.97 30.24 3i6b h ARG 152 CO 0.00 0.47 0.37 0.00 -1.07 0.00 0.00 179.97 179.74 3i6b s ALA 153 N -2.80 2.90 0.31 0.04 0.00 -1.16 -4.96 121.76 116.08 3i6b s ALA 153 Ca -0.02 0.38 0.03 0.00 0.00 0.00 0.00 51.96 52.35 3i6b s ALA 153 Cb 0.08 -3.19 0.50 0.00 0.00 0.00 0.00 23.12 20.51 3i6b s ALA 153 CO 0.81 -0.43 1.81 -0.44 0.00 0.00 0.00 175.76 177.51 3i6b h ASP 154 N 0.99 0.54 -3.96 0.00 3.45 -1.65 -3.45 116.42 112.35 3i6b h ASP 154 Ca -0.48 -0.13 -0.21 0.00 0.43 0.00 0.00 57.03 56.65 3i6b h ASP 154 Cb 1.21 -0.14 -0.26 0.00 -0.56 0.00 0.00 39.33 39.57 3i6b h ASP 154 CO 0.59 0.66 -0.67 -0.47 -1.57 0.00 0.00 179.24 177.78 3i6b s TYR 155 N -4.84 -0.00 -0.15 4.55 5.04 -0.89 -4.92 117.35 116.13 3i6b s TYR 155 Ca -0.08 0.02 0.02 0.00 -2.44 0.00 0.00 57.07 54.59 3i6b s TYR 155 Cb 0.15 -0.01 0.01 0.00 0.35 0.00 0.00 41.96 42.46 3i6b s TYR 155 CO 0.78 -0.06 -0.21 0.08 -1.34 0.00 0.00 175.55 174.81 3i6b s VAL 156 N -0.23 2.02 0.65 3.14 1.01 -1.26 -1.54 120.40 124.18 3i6b s VAL 156 Ca -0.03 -0.94 -0.16 0.00 0.00 0.00 0.00 61.98 60.85 3i6b s VAL 156 Cb -0.02 -1.80 -0.00 0.00 0.00 0.00 0.00 36.38 34.56 3i6b s VAL 156 CO -0.00 0.54 1.15 0.42 0.00 0.00 0.00 175.10 177.20 3i6b s THR 157 N 1.00 2.94 0.13 3.92 -4.23 -0.65 -4.91 115.64 113.84 3i6b s THR 157 Ca -0.03 0.48 -0.03 0.00 -1.18 0.00 0.00 61.69 60.94 3i6b s THR 157 Cb -0.15 -3.05 -0.19 0.00 1.34 0.00 0.00 72.50 70.45 3i6b s THR 157 CO -0.06 -0.23 1.29 0.03 -0.54 0.00 0.00 174.62 175.11 3i6b h ARG 158 N 0.24 0.34 -6.19 3.99 -0.00 -1.92 -3.25 114.38 107.59 3i6b h ARG 158 Ca -0.48 -0.40 -0.57 0.00 -0.50 0.00 0.00 59.98 58.03 3i6b h ARG 158 Cb 1.27 0.12 -0.05 0.00 0.00 0.00 0.00 29.97 31.31 3i6b h ARG 158 CO 0.54 1.10 -0.01 0.42 0.00 0.00 0.00 179.97 182.01 3i6b s ILE 159 N -3.14 4.79 0.66 2.04 -1.09 -1.26 -4.79 121.20 118.40 3i6b s ILE 159 Ca -0.05 1.27 -0.13 0.00 -2.23 0.00 0.00 60.65 59.51 3i6b s ILE 159 Cb 0.09 -3.93 -0.01 0.00 -1.58 0.00 0.00 42.46 37.03 3i6b s ILE 159 CO 0.86 0.49 1.06 0.00 -1.23 0.00 0.00 174.94 176.12 3i6b s ALA 160 N -0.71 2.69 0.39 9.38 0.00 -1.26 -3.36 121.76 128.89 3i6b s ALA 160 Ca 0.30 0.20 -0.27 0.00 0.00 0.00 0.00 51.96 52.20 3i6b s ALA 160 Cb -0.19 -3.20 -0.11 0.00 0.00 0.00 0.00 23.12 19.62 3i6b s ALA 160 CO 0.19 -1.09 1.29 0.41 0.00 0.00 0.00 175.76 176.56 3i6b n GLY 161 N -1.59 0.60 3.34 0.00 0.00 -1.26 -2.00 105.19 104.28 3i6b n GLY 161 Ca 0.08 0.25 0.00 0.00 0.00 0.00 0.00 46.02 46.35 3i6b n GLY 161 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3i6b n GLY 162 N 0.77 0.64 0.17 -0.02 0.00 -0.93 -4.02 105.19 101.80 3i6b n GLY 162 Ca 0.06 0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.11 3i6b n GLY 162 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3i6b n ARG 163 N -1.99 2.00 0.00 1.61 5.12 -0.85 -4.39 116.66 118.16 3i6b n ARG 163 Ca 0.00 -0.55 0.00 0.00 -1.93 0.00 0.00 57.85 55.37 3i6b n ARG 163 Cb 0.00 -1.00 0.00 0.00 -1.16 0.00 0.00 32.46 30.31 3i6b n ARG 163 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 3i6b n GLY 164 N 0.70 0.21 0.30 -0.13 0.00 -1.24 -4.88 105.19 100.16 3i6b n GLY 164 Ca 0.03 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.04 3i6b n GLY 164 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3i6b h ALA 165 N 0.00 1.31 -0.27 4.61 0.00 -1.74 -2.00 119.26 121.17 3i6b h ALA 165 Ca 0.00 -0.17 -0.12 0.00 0.00 0.00 0.00 54.91 54.62 3i6b h ALA 165 Cb 0.00 -0.21 -0.00 0.00 0.00 0.00 0.00 17.79 17.58 3i6b h ALA 165 CO 0.00 0.49 -0.29 0.28 0.00 0.00 0.00 179.25 179.74 3i6b h VAL 166 N 0.73 1.31 -0.73 0.00 2.07 -1.91 -2.43 116.25 115.29 3i6b h VAL 166 Ca 0.17 -1.46 0.08 0.00 0.82 0.00 0.00 66.70 66.31 3i6b h VAL 166 Cb 0.23 1.62 -0.07 0.00 -1.52 0.00 0.00 31.29 31.56 3i6b h VAL 166 CO -0.01 0.46 0.39 -0.09 0.02 0.00 0.00 177.57 178.35 3i6b h ARG 167 N 0.41 0.66 -0.81 1.57 9.65 -1.75 0.06 114.38 124.18 3i6b h ARG 167 Ca 0.04 -0.04 -0.01 0.00 -1.10 0.00 0.00 59.98 58.88 3i6b h ARG 167 Cb 0.86 -0.15 -0.04 0.00 -1.39 0.00 0.00 29.97 29.25 3i6b h ARG 167 CO 0.07 0.44 0.49 1.49 2.80 0.00 0.00 179.97 185.25 3i6b h GLU 168 N 0.68 1.10 -0.26 0.20 4.81 -1.23 0.22 114.58 120.11 3i6b h GLU 168 Ca 0.35 -0.10 -0.09 0.00 -0.13 0.00 0.00 59.36 59.38 3i6b h GLU 168 Cb 0.31 -0.23 -0.00 0.00 0.63 0.00 0.00 28.75 29.46 3i6b h GLU 168 CO -0.24 0.78 -0.21 0.28 -0.73 0.00 0.00 179.01 178.90 3i6b h VAL 169 N 1.11 1.31 -0.49 0.32 2.07 -0.90 -1.00 116.25 118.67 3i6b h VAL 169 Ca 0.29 -1.35 0.00 0.00 0.82 0.00 0.00 66.70 66.46 3i6b h VAL 169 Cb -0.04 1.62 -0.02 0.00 -1.52 0.00 0.00 31.29 31.33 3i6b h VAL 169 CO -0.05 0.42 0.31 0.00 0.02 0.00 0.00 177.57 178.27 3i6b h ASP 171 N 0.66 0.97 -0.46 0.00 3.45 -0.46 -1.25 116.42 119.33 3i6b h ASP 171 Ca 0.18 -0.01 -0.06 0.00 0.43 0.00 0.00 57.03 57.58 3i6b h ASP 171 Cb -0.04 -0.22 -0.02 0.00 -0.56 0.00 0.00 39.33 38.49 3i6b h ASP 171 CO -0.04 0.66 0.07 0.25 -1.57 0.00 0.00 179.24 178.62 3i6b h LEU 172 N 1.13 0.74 -0.72 1.55 5.85 -0.71 -1.77 115.31 121.37 3i6b h LEU 172 Ca 0.36 -0.26 -0.06 0.00 0.84 0.00 0.00 57.88 58.75 3i6b h LEU 172 Cb 0.00 -0.20 -0.03 0.00 0.37 0.00 0.00 40.66 40.81 3i6b h LEU 172 CO -0.12 0.81 0.21 -0.07 -0.34 0.00 0.00 178.44 178.93 3i6b h LEU 173 N 0.63 1.06 -0.53 2.25 3.38 -0.69 -1.70 115.31 119.73 3i6b h LEU 173 Ca 0.14 -0.22 -0.14 0.00 0.09 0.00 0.00 57.88 57.75 3i6b h LEU 173 Cb 0.39 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.85 3i6b h LEU 173 CO 0.01 1.00 -0.35 -0.07 0.09 0.00 0.00 178.44 179.12 3i6b h LEU 174 N 1.07 0.86 -0.40 1.67 3.38 -1.20 -2.16 115.31 118.54 3i6b h LEU 174 Ca 0.23 -0.37 -0.02 0.00 0.09 0.00 0.00 57.88 57.80 3i6b h LEU 174 Cb 0.33 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.82 3i6b h LEU 174 CO -0.00 1.12 0.15 0.25 0.09 0.00 0.00 178.44 180.05 3i6b h LEU 175 N 0.68 0.55 -1.37 1.67 5.85 -1.20 0.59 115.31 122.09 3i6b h LEU 175 Ca 0.07 -0.17 -0.06 0.00 0.84 0.00 0.00 57.88 58.55 3i6b h LEU 175 Cb 0.91 -0.14 -0.01 0.00 0.37 0.00 0.00 40.66 41.78 3i6b h LEU 175 CO 0.08 0.57 -0.30 0.00 -0.34 0.00 0.00 178.44 178.45 3i6b h ALA 176 N 1.00 1.32 -0.60 1.25 0.00 -1.24 -2.78 119.26 118.21 3i6b h ALA 176 Ca 0.13 -0.28 0.00 0.00 0.00 0.00 0.00 54.91 54.77 3i6b h ALA 176 Cb 0.20 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.94 3i6b h ALA 176 CO -0.01 0.38 0.00 1.04 0.00 0.00 0.00 179.25 180.66 3i6b n GLN 177 N -3.92 4.11 -3.08 0.00 6.02 -0.82 -4.50 117.38 115.19 3i6b n GLN 177 Ca -0.02 -2.98 -0.13 0.00 -0.01 0.00 0.00 57.00 53.86 3i6b n GLN 177 Cb 0.37 -2.02 0.07 0.00 1.02 0.00 0.00 30.24 29.68 3i6b n GLN 177 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3i6b n GLY 178 N 0.84 -0.33 0.00 1.08 0.00 -0.88 -5.02 105.19 100.88 3i6b n GLY 178 Ca 0.26 0.09 0.00 0.00 0.00 0.00 0.00 46.02 46.37 3i6b n GLY 178 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60