#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1p89 h ASN 26 N 0.00 0.00 -0.40 4.04 7.08 -1.91 -3.04 115.58 121.35 1p89 h ASN 26 Ca 0.00 0.00 -0.10 0.00 -3.08 0.00 0.00 56.30 53.12 1p89 h ASN 26 Cb 0.00 0.00 -0.01 0.00 -2.08 0.00 0.00 38.32 36.23 1p89 h ASN 26 CO 0.00 0.58 -0.15 0.03 -2.08 0.00 0.00 177.43 175.81 1p89 h ARG 27 N 0.00 0.81 -0.02 4.14 3.08 -2.00 -2.29 114.38 118.10 1p89 h ARG 27 Ca -0.08 -0.34 -0.18 0.00 0.07 0.00 0.00 59.98 59.45 1p89 h ARG 27 Cb 1.51 -0.03 -0.01 0.00 0.08 0.00 0.00 29.97 31.52 1p89 h ARG 27 CO 0.06 0.96 -0.79 0.00 -1.07 0.00 0.00 179.97 179.13 1p89 h ALA 28 N 0.83 0.62 -0.10 0.04 0.00 -1.98 -1.37 119.26 117.29 1p89 h ALA 28 Ca 0.09 -0.66 -0.00 0.00 0.00 0.00 0.00 54.91 54.34 1p89 h ALA 28 Cb 0.69 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 18.40 1p89 h ALA 28 CO 0.05 0.85 0.05 -0.07 0.00 0.00 0.00 179.25 180.13 1p89 h LEU 29 N 0.14 0.13 -0.08 0.00 3.38 -1.44 0.15 115.31 117.60 1p89 h LEU 29 Ca -0.03 -0.11 -0.14 0.00 0.09 0.00 0.00 57.88 57.69 1p89 h LEU 29 Cb 1.38 -0.03 0.01 0.00 0.09 0.00 0.00 40.66 42.10 1p89 h LEU 29 CO 0.12 0.20 -0.51 0.25 0.09 0.00 0.00 178.44 178.60 1p89 h LEU 30 N 0.06 0.58 -1.81 1.67 5.85 -1.46 -2.12 115.31 118.07 1p89 h LEU 30 Ca 0.04 -0.67 0.00 0.00 0.84 0.00 0.00 57.88 58.09 1p89 h LEU 30 Cb 0.10 -0.17 -0.01 0.00 0.37 0.00 0.00 40.66 40.95 1p89 h LEU 30 CO -0.01 1.16 0.13 -0.07 -0.34 0.00 0.00 178.44 179.31 1p89 h LEU 31 N 0.04 0.22 -0.12 2.25 3.38 -1.21 -0.91 115.31 118.96 1p89 h LEU 31 Ca -0.04 -0.01 -0.20 0.00 0.09 0.00 0.00 57.88 57.72 1p89 h LEU 31 Cb 1.17 -0.05 -0.02 0.00 0.09 0.00 0.00 40.66 41.84 1p89 h LEU 31 CO 0.10 0.16 -0.96 0.00 0.09 0.00 0.00 178.44 177.84 1p89 h ALA 32 N 1.88 0.43 -0.09 1.53 0.00 -0.66 -2.81 119.26 119.54 1p89 h ALA 32 Ca 0.07 -0.84 -0.11 0.00 0.00 0.00 0.00 54.91 54.03 1p89 h ALA 32 Cb -0.01 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.64 1p89 h ALA 32 CO -0.02 1.13 -0.44 0.00 0.00 0.00 0.00 179.25 179.92 1p89 h ALA 33 N 1.02 1.09 0.00 0.00 0.00 -0.48 -2.79 119.26 118.10 1p89 h ALA 33 Ca -0.02 -0.43 0.00 0.00 0.00 0.00 0.00 54.91 54.46 1p89 h ALA 33 Cb 1.67 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 19.37 1p89 h ALA 33 CO 0.13 0.61 -0.54 1.28 0.00 0.00 0.00 179.25 180.73 1p89 n LEU 34 N -4.00 0.56 -4.89 0.00 4.77 -0.78 0.19 117.00 112.84 1p89 n LEU 34 Ca -0.02 0.13 -0.30 0.00 -0.03 0.00 0.00 56.01 55.80 1p89 n LEU 34 Cb 0.50 -0.23 0.06 0.00 -2.33 0.00 0.00 43.42 41.41 1p89 n LEU 34 CO 0.42 0.04 0.75 0.00 -1.33 0.00 0.00 177.39 177.26 1p89 s ALA 35 N -3.08 2.85 -0.59 -1.18 0.00 -1.06 -3.37 121.76 115.33 1p89 s ALA 35 Ca 0.09 -0.46 -0.14 0.00 0.00 0.00 0.00 51.96 51.45 1p89 s ALA 35 Cb 0.16 -2.98 0.15 0.00 0.00 0.00 0.00 23.12 20.45 1p89 s ALA 35 CO 0.70 -1.28 0.53 -1.01 0.00 0.00 0.00 175.76 174.71 1p89 s HIS 36 N -3.40 3.38 0.00 0.00 3.76 0.60 -0.40 115.29 119.23 1p89 s HIS 36 Ca 0.59 -1.54 0.00 0.00 -0.15 0.00 0.00 55.06 53.96 1p89 s HIS 36 Cb -0.11 -3.75 0.00 0.00 1.11 0.00 0.00 32.58 29.83 1p89 s HIS 36 CO 0.51 -1.01 0.00 0.41 -0.85 0.00 0.00 174.74 173.80 1p89 n GLY 37 N 4.91 3.45 3.76 -2.22 0.00 -1.25 -2.75 105.19 111.10 1p89 n GLY 37 Ca -0.07 -1.58 -0.41 0.00 0.00 0.00 0.00 46.02 43.96 1p89 n GLY 37 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1p89 s LYS 38 N -4.77 4.35 0.10 1.61 2.20 -1.25 -2.42 119.74 119.56 1p89 s LYS 38 Ca 0.00 2.21 0.04 0.00 -0.36 0.00 0.00 55.97 57.86 1p89 s LYS 38 Cb 0.00 -3.09 -0.04 0.00 -1.51 0.00 0.00 37.83 33.20 1p89 s LYS 38 CO 0.00 -0.22 -0.10 0.99 -0.36 0.00 0.00 175.35 175.66 1p89 s THR 39 N -0.89 0.96 -0.06 3.43 2.01 0.16 -4.66 115.64 116.59 1p89 s THR 39 Ca 0.51 -1.71 -0.03 0.00 0.31 0.00 0.00 61.69 60.77 1p89 s THR 39 Cb -0.40 -1.44 -0.04 0.00 0.01 0.00 0.00 72.50 70.64 1p89 s THR 39 CO 0.50 -0.60 0.10 -0.69 -0.69 0.00 0.00 174.62 173.25 1p89 s VAL 40 N -2.61 5.01 -0.21 3.82 1.01 0.24 0.86 120.40 128.52 1p89 s VAL 40 Ca 0.07 -0.15 -0.00 0.00 0.00 0.00 0.00 61.98 61.90 1p89 s VAL 40 Cb -0.02 -3.24 0.05 0.00 0.00 0.00 0.00 36.38 33.18 1p89 s VAL 40 CO -0.00 0.48 -0.04 -1.48 0.00 0.00 0.00 175.10 174.05 1p89 s LEU 41 N -1.40 2.07 0.43 3.92 2.34 0.38 0.14 118.68 126.56 1p89 s LEU 41 Ca 0.19 -0.95 0.05 0.00 0.06 0.00 0.00 54.13 53.48 1p89 s LEU 41 Cb -0.12 -1.02 0.01 0.00 -0.56 0.00 0.00 46.19 44.49 1p89 s LEU 41 CO 0.10 -0.22 0.60 0.28 -1.06 0.00 0.00 176.35 176.04 1p89 s THR 42 N 1.53 3.38 -2.00 5.48 -1.32 0.19 -0.33 115.64 122.57 1p89 s THR 42 Ca -0.03 -0.86 0.00 0.00 -1.21 0.00 0.00 61.69 59.59 1p89 s THR 42 Cb -0.17 -3.19 0.00 0.00 -1.51 0.00 0.00 72.50 67.63 1p89 s THR 42 CO -0.07 -0.09 0.00 -3.20 -2.21 0.00 0.00 174.62 169.05 1p89 n ASN 43 N -1.92 -5.37 -4.64 8.08 5.15 0.31 -0.04 115.26 116.83 1p89 n ASN 43 Ca 0.05 0.41 -0.32 0.00 -0.60 0.00 0.00 54.58 54.12 1p89 n ASN 43 Cb 0.59 -4.55 0.16 0.00 -0.53 0.00 0.00 39.78 35.44 1p89 n ASN 43 CO 0.00 0.00 0.00 -0.11 1.40 0.00 0.00 177.26 178.55 1p89 n LEU 44 N -2.28 2.99 -4.56 1.20 7.94 0.57 -4.51 117.00 118.34 1p89 n LEU 44 Ca -0.20 0.43 -0.42 0.00 -1.11 0.00 0.00 56.01 54.72 1p89 n LEU 44 Cb 0.64 -1.44 -0.07 0.00 0.53 0.00 0.00 43.42 43.07 1p89 n LEU 44 CO 0.29 -2.30 0.29 -0.22 -1.11 0.00 0.00 177.39 174.34 1p89 s LEU 45 N -5.69 4.33 -1.24 -1.96 2.96 -1.26 -4.38 118.68 111.43 1p89 s LEU 45 Ca 0.67 0.02 -0.13 0.00 -0.22 0.00 0.00 54.13 54.46 1p89 s LEU 45 Cb -0.24 -2.66 -0.06 0.00 0.50 0.00 0.00 46.19 43.74 1p89 s LEU 45 CO 0.58 -0.53 2.32 -0.67 -1.32 0.00 0.00 176.35 176.73 1p89 n ASP 46 N 5.87 5.02 -0.38 3.68 -0.08 -1.21 -4.56 116.55 124.88 1p89 n ASP 46 Ca -0.03 -2.63 0.00 0.00 -1.51 0.00 0.00 54.79 50.62 1p89 n ASP 46 Cb 0.49 -1.40 0.00 0.00 2.34 0.00 0.00 41.12 42.55 1p89 n ASP 46 CO 0.00 0.00 0.00 -1.20 0.12 0.00 0.00 177.20 176.12 1p89 n SER 47 N 5.39 1.17 0.02 1.67 7.64 -1.26 -5.06 113.62 123.20 1p89 n SER 47 Ca 0.57 -0.24 0.11 0.00 1.01 0.00 0.00 58.87 60.32 1p89 n SER 47 Cb 0.30 0.00 -0.12 0.00 -1.01 0.00 0.00 64.21 63.38 1p89 n SER 47 CO 0.00 0.00 0.00 -0.67 -3.01 0.00 0.00 175.04 171.36 1p89 n ASP 48 N -0.44 0.26 0.18 6.43 2.03 -1.26 -3.18 116.55 120.57 1p89 n ASP 48 Ca 0.00 0.09 0.03 0.00 0.52 0.00 0.00 54.79 55.43 1p89 n ASP 48 Cb 0.00 1.52 0.32 0.00 -0.72 0.00 0.00 41.12 42.25 1p89 n ASP 48 CO 0.00 0.00 0.00 0.44 -1.92 0.00 0.00 177.20 175.72 1p89 h ASP 49 N 0.00 0.00 0.00 1.67 3.32 -1.91 -2.59 116.42 116.91 1p89 h ASP 49 Ca 0.00 0.00 -0.21 0.00 0.02 0.00 0.00 57.03 56.84 1p89 h ASP 49 Cb 1.00 0.00 -0.03 0.00 0.22 0.00 0.00 39.33 40.52 1p89 h ASP 49 CO 0.00 0.43 -1.18 0.58 -1.72 0.00 0.00 179.24 177.35 1p89 h VAL 50 N 0.00 0.84 -0.98 -1.35 2.07 -1.81 -3.24 116.25 111.78 1p89 h VAL 50 Ca -0.00 -2.07 0.28 0.00 0.82 0.00 0.00 66.70 65.73 1p89 h VAL 50 Cb 0.83 2.03 -0.04 0.00 -1.52 0.00 0.00 31.29 32.59 1p89 h VAL 50 CO 0.06 0.29 0.75 0.08 0.02 0.00 0.00 177.57 178.77 1p89 h ARG 51 N -1.00 0.00 -0.12 1.57 -0.00 -1.60 1.77 114.38 114.99 1p89 h ARG 51 Ca -0.32 0.00 -0.20 0.00 -0.00 0.00 0.00 59.98 59.46 1p89 h ARG 51 Cb 1.23 0.00 0.00 0.00 -0.00 0.00 0.00 29.97 31.20 1p89 h ARG 51 CO -0.19 0.00 -0.74 0.45 -0.00 0.00 0.00 179.97 179.49 1p89 h HIS 52 N 0.00 0.82 -0.15 4.08 3.86 -1.59 0.90 115.15 123.07 1p89 h HIS 52 Ca 0.47 -0.36 -0.02 0.00 -1.16 0.00 0.00 60.37 59.30 1p89 h HIS 52 Cb 1.97 -0.13 -0.01 0.00 1.06 0.00 0.00 27.41 30.31 1p89 h HIS 52 CO 0.00 1.15 0.03 1.98 0.86 0.00 0.00 177.93 181.96 1p89 h MET 53 N 0.42 0.25 -0.29 2.45 1.85 0.25 0.59 114.93 120.44 1p89 h MET 53 Ca -0.04 -0.06 -0.08 0.00 -0.61 0.00 0.00 59.70 58.91 1p89 h MET 53 Cb 1.34 -0.03 -0.01 0.00 0.43 0.00 0.00 31.60 33.34 1p89 h MET 53 CO 0.14 0.40 -0.15 -0.07 -0.40 0.00 0.00 176.91 176.84 1p89 h LEU 54 N 0.05 0.63 -2.56 3.39 4.07 -0.62 -2.37 115.31 117.88 1p89 h LEU 54 Ca 0.05 -0.41 0.01 0.00 0.08 0.00 0.00 57.88 57.61 1p89 h LEU 54 Cb 0.27 -0.17 -0.00 0.00 1.08 0.00 0.00 40.66 41.84 1p89 h LEU 54 CO 0.00 0.90 0.08 0.78 -1.08 0.00 0.00 178.44 179.13 1p89 h ASN 55 N 0.35 0.00 -0.00 -0.43 2.35 0.99 -1.17 115.58 117.67 1p89 h ASN 55 Ca 0.06 0.00 -0.04 0.00 -0.55 0.00 0.00 56.30 55.78 1p89 h ASN 55 Cb 0.67 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.04 1p89 h ASN 55 CO 0.04 0.00 -0.15 0.00 -1.65 0.00 0.00 177.43 175.68 1p89 h ALA 56 N 1.87 0.02 -0.10 -0.83 0.00 -0.36 -3.04 119.26 116.82 1p89 h ALA 56 Ca 0.02 -0.44 -0.02 0.00 0.00 0.00 0.00 54.91 54.47 1p89 h ALA 56 Cb 0.19 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 17.98 1p89 h ALA 56 CO -0.00 0.01 -0.02 -0.07 0.00 0.00 0.00 179.25 179.16 1p89 h LEU 57 N -0.62 0.20 -1.93 0.00 3.38 -1.10 -2.73 115.31 112.51 1p89 h LEU 57 Ca -0.02 -0.37 0.22 0.00 0.09 0.00 0.00 57.88 57.80 1p89 h LEU 57 Cb 0.92 -0.05 -0.04 0.00 0.09 0.00 0.00 40.66 41.58 1p89 h LEU 57 CO 0.03 0.52 0.55 0.00 0.09 0.00 0.00 178.44 179.63 1p89 h THR 58 N -0.13 0.63 -0.18 0.22 1.03 -1.38 0.93 112.91 114.03 1p89 h THR 58 Ca 0.03 -0.02 -0.00 0.00 -0.01 0.00 0.00 66.41 66.40 1p89 h THR 58 Cb 0.43 0.57 -0.01 0.00 -1.07 0.00 0.00 68.15 68.07 1p89 h THR 58 CO 0.01 0.01 0.10 0.00 -0.01 0.00 0.00 175.52 175.63 1p89 h ALA 59 N 1.62 0.23 0.00 0.00 0.00 -1.35 -2.03 119.26 117.73 1p89 h ALA 59 Ca 0.37 -0.06 -0.06 0.00 0.00 0.00 0.00 54.91 55.16 1p89 h ALA 59 Cb 1.41 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 19.12 1p89 h ALA 59 CO -0.03 -0.23 -0.27 -0.07 0.00 0.00 0.00 179.25 178.65 1p89 h LEU 60 N 0.18 0.00 0.00 0.00 4.07 -0.86 -3.46 115.31 115.24 1p89 h LEU 60 Ca 0.06 0.00 0.00 0.00 0.08 0.00 0.00 57.88 58.02 1p89 h LEU 60 Cb 0.08 0.00 0.00 0.00 1.08 0.00 0.00 40.66 41.82 1p89 h LEU 60 CO -0.01 0.27 0.00 0.61 -1.08 0.00 0.00 178.44 178.23 1p89 n GLY 61 N 0.11 0.35 3.59 0.83 0.00 -0.20 -4.76 105.19 105.11 1p89 n GLY 61 Ca -0.00 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.68 1p89 n GLY 61 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1p89 n VAL 62 N 0.00 1.47 -3.88 1.61 0.31 -0.30 -4.88 118.33 112.66 1p89 n VAL 62 Ca 0.00 -0.23 -0.35 0.00 -0.01 0.00 0.00 64.34 63.75 1p89 n VAL 62 Cb 0.00 -0.98 -0.13 0.00 -0.91 0.00 0.00 33.84 31.81 1p89 n VAL 62 CO 0.00 0.00 0.00 -0.44 -1.32 0.00 0.00 176.83 175.07 1p89 s SER 63 N -2.00 4.97 0.08 4.52 0.01 -1.26 -4.15 113.70 115.86 1p89 s SER 63 Ca 0.68 -1.23 0.04 0.00 1.31 0.00 0.00 55.95 56.75 1p89 s SER 63 Cb -0.28 -1.74 -0.03 0.00 0.21 0.00 0.00 66.02 64.17 1p89 s SER 63 CO 0.56 -0.27 -0.11 -0.72 0.41 0.00 0.00 173.24 173.11 1p89 s TYR 64 N 1.29 1.06 -0.17 2.43 -0.85 -1.25 0.13 117.35 119.98 1p89 s TYR 64 Ca -0.04 -0.55 -0.04 0.00 -0.52 0.00 0.00 57.07 55.91 1p89 s TYR 64 Cb -0.20 -0.59 0.09 0.00 0.38 0.00 0.00 41.96 41.64 1p89 s TYR 64 CO -0.00 0.01 0.29 0.99 -1.52 0.00 0.00 175.55 175.32 1p89 s THR 65 N -1.82 -0.46 0.83 -3.49 2.01 -1.02 -4.89 115.64 106.80 1p89 s THR 65 Ca 0.00 0.12 -0.10 0.00 0.31 0.00 0.00 61.69 62.03 1p89 s THR 65 Cb -0.07 -0.58 0.14 0.00 0.01 0.00 0.00 72.50 72.00 1p89 s THR 65 CO 0.01 0.00 1.16 -0.76 -0.69 0.00 0.00 174.62 174.34 1p89 s LEU 66 N 2.45 2.79 0.84 4.42 2.01 -1.25 -0.71 118.68 129.23 1p89 s LEU 66 Ca 0.04 0.20 -0.07 0.00 0.01 0.00 0.00 54.13 54.31 1p89 s LEU 66 Cb -0.13 -2.50 0.17 0.00 0.01 0.00 0.00 46.19 43.74 1p89 s LEU 66 CO -0.11 -2.18 1.15 -0.55 1.01 0.00 0.00 176.35 175.67 1p89 s SER 67 N -4.74 3.69 0.30 2.29 0.15 0.31 -4.82 113.70 110.88 1p89 s SER 67 Ca 0.68 -0.20 0.21 0.00 0.70 0.00 0.00 55.95 57.34 1p89 s SER 67 Cb -0.06 0.03 1.09 0.00 -1.71 0.00 0.00 66.02 65.36 1p89 s SER 67 CO 0.49 -2.33 1.64 0.00 1.20 0.00 0.00 173.24 174.24 1p89 n ALA 68 N -3.27 1.15 -0.00 5.45 0.00 -1.26 -0.96 120.51 121.62 1p89 n ALA 68 Ca 0.16 0.17 0.00 0.00 0.00 0.00 0.00 53.44 53.77 1p89 n ALA 68 Cb 0.60 -1.32 0.00 0.00 0.00 0.00 0.00 19.45 18.74 1p89 n ALA 68 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1p89 n ASP 69 N -2.22 1.82 -3.54 0.00 9.92 -1.26 -5.00 116.55 116.28 1p89 n ASP 69 Ca -0.01 -1.81 -0.20 0.00 -0.53 0.00 0.00 54.79 52.25 1p89 n ASP 69 Cb 0.07 -0.00 0.08 0.00 -0.64 0.00 0.00 41.12 40.62 1p89 n ASP 69 CO 0.00 0.00 0.00 0.54 0.13 0.00 0.00 177.20 177.87 1p89 n ARG 70 N -0.39 -6.65 0.00 -1.24 1.74 -0.13 -4.63 116.66 105.36 1p89 n ARG 70 Ca 0.00 0.80 0.00 0.00 -0.77 0.00 0.00 57.85 57.88 1p89 n ARG 70 Cb 0.20 -5.75 0.00 0.00 -1.02 0.00 0.00 32.46 25.89 1p89 n ARG 70 CO 0.00 0.00 0.00 0.25 -1.52 0.00 0.00 177.63 176.36 1p89 n THR 71 N -4.40 0.00 -3.63 0.55 -2.24 -1.26 -3.29 114.28 100.01 1p89 n THR 71 Ca -0.20 -0.27 -0.27 0.00 -2.27 0.00 0.00 64.05 61.04 1p89 n THR 71 Cb 0.64 1.37 -0.17 0.00 -2.10 0.00 0.00 70.33 70.07 1p89 n THR 71 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 1p89 s ARG 72 N -0.11 0.20 0.08 -0.78 1.81 -1.25 0.11 118.95 119.02 1p89 s ARG 72 Ca 0.00 -0.20 0.10 0.00 -1.72 0.00 0.00 55.73 53.91 1p89 s ARG 72 Cb 0.00 -1.84 -0.03 0.00 -0.45 0.00 0.00 34.95 32.63 1p89 s ARG 72 CO 0.00 -0.70 -0.27 0.00 -0.68 0.00 0.00 175.30 173.66 1p89 s GLU 74 N -1.60 1.96 -0.22 0.00 8.01 0.11 0.14 118.70 127.11 1p89 s GLU 74 Ca 0.13 -1.70 -0.14 0.00 0.01 0.00 0.00 54.97 53.26 1p89 s GLU 74 Cb -0.10 -3.36 -0.04 0.00 -4.31 0.00 0.00 34.13 26.32 1p89 s GLU 74 CO 0.04 -0.92 0.34 0.42 0.01 0.00 0.00 175.26 175.15 1p89 s ILE 75 N 1.10 5.23 -0.62 -1.63 1.09 0.25 -2.42 121.20 124.20 1p89 s ILE 75 Ca 0.05 0.56 -0.28 0.00 -1.10 0.00 0.00 60.65 59.88 1p89 s ILE 75 Cb -0.21 -3.67 0.03 0.00 -1.06 0.00 0.00 42.46 37.55 1p89 s ILE 75 CO -0.05 0.26 1.26 -0.63 -0.10 0.00 0.00 174.94 175.69 1p89 s ILE 76 N 1.37 3.89 -0.28 2.92 1.09 0.34 0.38 121.20 130.92 1p89 s ILE 76 Ca 0.16 0.72 -0.39 0.00 -1.10 0.00 0.00 60.65 60.04 1p89 s ILE 76 Cb -0.15 -4.72 -0.15 0.00 -1.06 0.00 0.00 42.46 36.39 1p89 s ILE 76 CO 0.07 -1.44 1.83 0.61 -0.10 0.00 0.00 174.94 175.91 1p89 n GLY 77 N 5.19 0.85 0.19 6.18 0.00 -1.02 -4.28 105.19 112.30 1p89 n GLY 77 Ca 0.08 0.93 0.13 0.00 0.00 0.00 0.00 46.02 47.17 1p89 n GLY 77 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 1p89 h ASN 78 N 8.10 0.00 0.00 1.61 2.35 0.22 -3.31 115.58 124.55 1p89 h ASN 78 Ca -0.43 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.32 1p89 h ASN 78 Cb 1.32 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.69 1p89 h ASN 78 CO 0.97 0.00 0.00 0.61 -1.65 0.00 0.00 177.43 177.36 1p89 n GLY 79 N -0.74 3.09 0.00 2.83 0.00 0.47 -4.90 105.19 105.94 1p89 n GLY 79 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1p89 n GLY 79 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1p89 n GLY 80 N -1.85 5.47 3.79 -0.02 0.00 -1.22 -4.63 105.19 106.72 1p89 n GLY 80 Ca 0.00 -1.38 -0.30 0.00 0.00 0.00 0.00 46.02 44.35 1p89 n GLY 80 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 1p89 s PRO 81 N 1.46 1.70 -0.84 1.61 0.02 -1.26 -3.42 135.00 134.26 1p89 s PRO 81 Ca 0.00 0.56 -0.25 0.00 0.02 0.00 0.00 61.00 61.32 1p89 s PRO 81 Cb 0.00 -1.88 -0.10 0.00 0.02 0.00 0.00 34.50 32.54 1p89 s PRO 81 CO 0.00 -1.87 2.20 -0.51 -0.33 0.00 0.00 177.00 176.49 1p89 s LEU 82 N -5.91 3.00 -0.27 -5.54 2.01 -1.25 -4.86 118.68 105.86 1p89 s LEU 82 Ca 0.62 -0.29 -0.27 0.00 0.01 0.00 0.00 54.13 54.21 1p89 s LEU 82 Cb -0.15 -2.55 0.01 0.00 0.01 0.00 0.00 46.19 43.50 1p89 s LEU 82 CO 0.54 -3.36 0.95 -1.00 1.01 0.00 0.00 176.35 174.49 1p89 s HIS 83 N 12.63 3.26 -0.19 0.29 3.76 -1.26 -4.33 115.29 129.45 1p89 s HIS 83 Ca 0.82 1.19 -0.04 0.00 -0.15 0.00 0.00 55.06 56.88 1p89 s HIS 83 Cb -0.10 -3.31 0.08 0.00 1.11 0.00 0.00 32.58 30.37 1p89 s HIS 83 CO 0.04 -0.55 0.17 0.00 -0.85 0.00 0.00 174.74 173.55 1p89 s ALA 84 N 3.17 0.04 -0.56 -1.40 0.00 -1.26 -4.77 121.76 116.98 1p89 s ALA 84 Ca 0.40 -0.03 -0.03 0.00 0.00 0.00 0.00 51.96 52.30 1p89 s ALA 84 Cb -0.14 -1.22 0.14 0.00 0.00 0.00 0.00 23.12 21.90 1p89 s ALA 84 CO 0.10 -1.22 0.37 -2.00 0.00 0.00 0.00 175.76 173.00 1p89 s GLU 85 N 2.24 2.38 0.00 0.00 2.12 -1.26 -1.28 118.70 122.91 1p89 s GLU 85 Ca 0.05 -2.31 0.00 0.00 0.36 0.00 0.00 54.97 53.07 1p89 s GLU 85 Cb -0.16 -3.68 0.00 0.00 0.26 0.00 0.00 34.13 30.55 1p89 s GLU 85 CO -0.12 -1.14 0.00 0.41 -0.54 0.00 0.00 175.26 173.87 1p89 n GLY 86 N 3.82 0.00 3.57 -1.50 0.00 -1.26 -4.95 105.19 104.88 1p89 n GLY 86 Ca 0.05 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.87 1p89 n GLY 86 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1p89 n ALA 87 N 0.00 -2.03 -1.95 4.61 0.00 -0.52 -4.94 120.51 115.68 1p89 n ALA 87 Ca 0.00 -0.12 -0.40 0.00 0.00 0.00 0.00 53.44 52.92 1p89 n ALA 87 Cb 0.00 -2.23 -0.05 0.00 0.00 0.00 0.00 19.45 17.17 1p89 n ALA 87 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 1p89 s LEU 88 N -6.51 4.59 -0.16 0.00 2.96 0.24 -4.70 118.68 115.10 1p89 s LEU 88 Ca 0.01 1.90 0.00 0.00 -0.22 0.00 0.00 54.13 55.83 1p89 s LEU 88 Cb -0.00 -3.60 0.00 0.00 0.50 0.00 0.00 46.19 43.09 1p89 s LEU 88 CO 0.77 0.06 -0.16 -0.70 -1.32 0.00 0.00 176.35 175.01 1p89 s GLU 89 N -0.74 3.17 0.30 1.98 -6.30 -1.25 0.16 118.70 116.01 1p89 s GLU 89 Ca 0.43 -0.77 0.07 0.00 -2.50 0.00 0.00 54.97 52.21 1p89 s GLU 89 Cb -0.25 -2.62 -0.03 0.00 0.00 0.00 0.00 34.13 31.22 1p89 s GLU 89 CO 0.31 -0.04 0.27 -0.51 0.02 0.00 0.00 175.26 175.31 1p89 s LEU 90 N 0.95 3.73 -0.26 2.70 1.43 -0.36 -4.90 118.68 121.96 1p89 s LEU 90 Ca -0.03 -0.36 0.00 0.00 -1.03 0.00 0.00 54.13 52.71 1p89 s LEU 90 Cb -0.15 -2.32 0.07 0.00 0.03 0.00 0.00 46.19 43.83 1p89 s LEU 90 CO -0.03 -0.23 -0.00 0.12 0.23 0.00 0.00 176.35 176.44 1p89 s PHE 91 N -2.22 2.27 -2.23 0.29 2.19 -1.24 0.12 117.98 117.16 1p89 s PHE 91 Ca 0.38 -1.80 0.20 0.00 0.33 0.00 0.00 56.93 56.03 1p89 s PHE 91 Cb -0.07 -1.71 0.54 0.00 -1.31 0.00 0.00 43.02 40.47 1p89 s PHE 91 CO 0.26 -0.80 1.44 1.28 1.83 0.00 0.00 175.22 179.24 1p89 n LEU 92 N 4.70 2.70 0.00 6.12 7.99 0.10 -4.77 117.00 133.84 1p89 n LEU 92 Ca -0.08 -1.23 0.00 0.00 -0.01 0.00 0.00 56.01 54.69 1p89 n LEU 92 Cb 0.44 -0.25 0.00 0.00 -0.11 0.00 0.00 43.42 43.50 1p89 n LEU 92 CO 0.17 0.62 0.00 0.61 -1.51 0.00 0.00 177.39 177.27 1p89 n GLY 93 N 1.34 1.86 2.76 -0.72 0.00 -1.25 -2.53 105.19 106.64 1p89 n GLY 93 Ca 0.18 -0.24 -0.37 0.00 0.00 0.00 0.00 46.02 45.58 1p89 n GLY 93 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1p89 n ASN 94 N -0.67 6.81 -0.03 1.61 2.85 -1.26 -2.73 115.26 121.85 1p89 n ASN 94 Ca 0.00 -3.75 -0.03 0.00 -0.11 0.00 0.00 54.58 50.69 1p89 n ASN 94 Cb 0.00 -0.99 -0.01 0.00 1.24 0.00 0.00 39.78 40.02 1p89 n ASN 94 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 1p89 n ALA 95 N -0.31 0.30 0.00 5.20 0.00 -1.05 -4.87 120.51 119.78 1p89 n ALA 95 Ca 0.47 -0.43 0.00 0.00 0.00 0.00 0.00 53.44 53.48 1p89 n ALA 95 Cb 0.31 0.01 0.00 0.00 0.00 0.00 0.00 19.45 19.77 1p89 n ALA 95 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1p89 n GLY 96 N 1.51 2.77 0.19 0.00 0.00 -1.26 -4.72 105.19 103.68 1p89 n GLY 96 Ca -0.05 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.09 1p89 n GLY 96 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1p89 n THR 97 N -1.95 0.00 0.00 2.61 -2.24 -1.26 -4.11 114.28 107.34 1p89 n THR 97 Ca 0.00 -0.10 0.00 0.00 -2.27 0.00 0.00 64.05 61.68 1p89 n THR 97 Cb 0.00 0.55 0.00 0.00 -2.10 0.00 0.00 70.33 68.78 1p89 n THR 97 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1p89 n ALA 98 N -0.89 0.85 0.04 6.98 0.00 -1.26 -4.71 120.51 121.52 1p89 n ALA 98 Ca 0.09 0.00 -0.13 0.00 0.00 0.00 0.00 53.44 53.40 1p89 n ALA 98 Cb 0.36 0.01 -0.09 0.00 0.00 0.00 0.00 19.45 19.73 1p89 n ALA 98 CO 0.00 0.00 0.00 1.98 0.00 0.00 0.00 177.50 179.48 1p89 h MET 99 N 0.00 -0.12 0.29 0.00 -1.53 -1.88 -0.08 114.93 111.62 1p89 h MET 99 Ca 0.00 0.01 -0.01 0.00 -3.44 0.00 0.00 59.70 56.26 1p89 h MET 99 Cb 0.03 0.03 -0.01 0.00 -0.55 0.00 0.00 31.60 31.10 1p89 h MET 99 CO 0.00 0.27 -0.19 0.00 0.14 0.00 0.00 176.91 177.13 1p89 h ARG 100 N -0.53 -0.46 -0.23 0.39 -0.00 -1.85 0.39 114.38 112.09 1p89 h ARG 100 Ca -0.01 0.03 -0.02 0.00 -0.50 0.00 0.00 59.98 59.48 1p89 h ARG 100 Cb 0.44 0.10 -0.01 0.00 0.00 0.00 0.00 29.97 30.50 1p89 h ARG 100 CO 0.02 -0.30 0.06 -1.35 0.00 0.00 0.00 179.97 178.39 1p89 h PRO 101 N -0.47 0.38 -0.59 0.04 0.11 -1.64 -2.56 132.00 127.27 1p89 h PRO 101 Ca -0.03 -0.09 -0.06 0.00 0.11 0.00 0.00 66.00 65.94 1p89 h PRO 101 Cb 0.40 -0.05 -0.03 0.00 0.11 0.00 0.00 31.00 31.43 1p89 h PRO 101 CO 0.02 0.48 0.14 1.25 -0.21 0.00 0.00 178.00 179.69 1p89 h LEU 102 N 0.20 0.86 -0.14 2.35 7.12 -1.00 0.11 115.31 124.80 1p89 h LEU 102 Ca 0.07 -0.16 -0.00 0.00 0.13 0.00 0.00 57.88 57.92 1p89 h LEU 102 Cb 0.28 -0.22 -0.01 0.00 -0.53 0.00 0.00 40.66 40.18 1p89 h LEU 102 CO 0.00 0.84 0.07 0.00 -0.13 0.00 0.00 178.44 179.22 1p89 h ALA 103 N 1.28 0.18 -0.50 1.25 0.00 -0.85 -2.83 119.26 117.78 1p89 h ALA 103 Ca 0.19 -0.07 -0.11 0.00 0.00 0.00 0.00 54.91 54.92 1p89 h ALA 103 Cb 0.32 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.04 1p89 h ALA 103 CO -0.00 -0.26 -0.11 0.00 0.00 0.00 0.00 179.25 178.88 1p89 h ALA 104 N 0.95 0.69 -0.73 0.00 0.00 -1.22 -3.16 119.26 115.79 1p89 h ALA 104 Ca 0.05 -0.34 0.03 0.00 0.00 0.00 0.00 54.91 54.64 1p89 h ALA 104 Cb 0.11 -0.18 -0.04 0.00 0.00 0.00 0.00 17.79 17.67 1p89 h ALA 104 CO -0.01 0.60 0.46 0.00 0.00 0.00 0.00 179.25 180.30 1p89 h ALA 105 N 0.90 0.95 0.00 0.00 0.00 -0.70 -1.15 119.26 119.26 1p89 h ALA 105 Ca 0.13 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 55.00 1p89 h ALA 105 Cb 0.67 -0.24 -0.00 0.00 0.00 0.00 0.00 17.79 18.22 1p89 h ALA 105 CO 0.05 0.25 -0.06 -0.07 0.00 0.00 0.00 179.25 179.42 1p89 h LEU 106 N 0.90 0.00 -0.09 0.00 3.38 -1.52 -2.57 115.31 115.41 1p89 h LEU 106 Ca 0.29 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.26 1p89 h LEU 106 Cb 0.01 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.76 1p89 h LEU 106 CO -0.11 0.06 0.00 0.00 0.09 0.00 0.00 178.44 178.48 1p89 s LEU 108 N -3.11 2.75 0.00 0.00 1.43 -0.97 0.24 118.68 119.03 1p89 s LEU 108 Ca 0.01 0.88 0.00 0.00 -1.03 0.00 0.00 54.13 53.99 1p89 s LEU 108 Cb 0.02 -3.53 0.00 0.00 0.03 0.00 0.00 46.19 42.70 1p89 s LEU 108 CO 0.06 -1.58 0.00 0.61 0.23 0.00 0.00 176.35 175.66 1p89 n GLY 109 N -3.09 1.87 3.15 -3.19 0.00 -1.26 -3.98 105.19 98.68 1p89 n GLY 109 Ca 0.07 0.44 0.04 0.00 0.00 0.00 0.00 46.02 46.57 1p89 n GLY 109 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1p89 s SER 110 N -4.00 -1.42 -0.01 1.61 0.01 -1.26 0.53 113.70 109.15 1p89 s SER 110 Ca 0.00 0.13 0.00 0.00 1.31 0.00 0.00 55.95 57.39 1p89 s SER 110 Cb 0.00 1.90 0.01 0.00 0.21 0.00 0.00 66.02 68.14 1p89 s SER 110 CO 0.00 -0.26 -0.00 0.20 0.41 0.00 0.00 173.24 173.59 1p89 s ASN 111 N 2.81 0.19 -0.39 2.44 0.01 -1.24 -4.65 114.94 114.11 1p89 s ASN 111 Ca 0.13 -0.01 -0.14 0.00 -0.71 0.00 0.00 52.86 52.13 1p89 s ASN 111 Cb -0.08 -0.07 0.01 0.00 0.41 0.00 0.00 41.25 41.52 1p89 s ASN 111 CO -0.25 -0.03 0.28 -1.81 -1.51 0.00 0.00 177.10 173.78 1p89 s ASP 112 N 0.39 6.08 -0.04 -1.22 1.11 -0.40 -1.60 116.67 120.98 1p89 s ASP 112 Ca -0.03 -0.80 -0.06 0.00 0.18 0.00 0.00 52.55 51.84 1p89 s ASP 112 Cb -0.05 -2.15 0.01 0.00 1.07 0.00 0.00 42.92 41.80 1p89 s ASP 112 CO -0.01 -0.40 0.14 -0.63 1.18 0.00 0.00 175.17 175.46 1p89 s ILE 113 N 1.68 0.02 -0.28 0.77 1.09 -0.64 -0.59 121.20 123.25 1p89 s ILE 113 Ca 0.05 -0.19 -0.01 0.00 -1.10 0.00 0.00 60.65 59.40 1p89 s ILE 113 Cb -0.19 -0.27 0.04 0.00 -1.06 0.00 0.00 42.46 40.99 1p89 s ILE 113 CO 0.10 -0.11 -0.03 -0.69 -0.10 0.00 0.00 174.94 174.11 1p89 s VAL 114 N -0.32 2.86 0.57 2.92 1.01 0.42 0.21 120.40 128.06 1p89 s VAL 114 Ca -0.04 -1.32 -0.14 0.00 0.00 0.00 0.00 61.98 60.48 1p89 s VAL 114 Cb -0.03 -2.60 -0.06 0.00 0.00 0.00 0.00 36.38 33.69 1p89 s VAL 114 CO 0.01 -0.02 1.01 -0.76 0.00 0.00 0.00 175.10 175.34 1p89 s LEU 115 N 1.25 3.44 0.08 3.92 1.43 0.55 -1.23 118.68 128.13 1p89 s LEU 115 Ca -0.04 1.51 -0.25 0.00 -1.03 0.00 0.00 54.13 54.32 1p89 s LEU 115 Cb -0.19 -4.49 0.07 0.00 0.03 0.00 0.00 46.19 41.61 1p89 s LEU 115 CO -0.02 -0.74 0.61 -0.89 0.23 0.00 0.00 176.35 175.54 1p89 s THR 116 N -2.87 0.00 0.00 5.49 2.01 0.12 -2.61 115.64 117.78 1p89 s THR 116 Ca 0.57 -0.04 0.00 0.00 0.31 0.00 0.00 61.69 62.54 1p89 s THR 116 Cb -0.11 -1.00 0.00 0.00 0.01 0.00 0.00 72.50 71.40 1p89 s THR 116 CO 0.42 -0.02 0.00 0.61 -0.69 0.00 0.00 174.62 174.94 1p89 n GLY 117 N 0.11 4.06 3.64 4.40 0.00 -1.26 0.02 105.19 116.15 1p89 n GLY 117 Ca -0.18 -1.47 -0.30 0.00 0.00 0.00 0.00 46.02 44.07 1p89 n GLY 117 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1p89 s GLU 118 N -1.03 -0.86 0.34 1.61 0.41 -1.10 -4.69 118.70 113.37 1p89 s GLU 118 Ca 0.00 -0.05 0.03 0.00 -0.41 0.00 0.00 54.97 54.54 1p89 s GLU 118 Cb 0.00 -1.64 0.61 0.00 -1.78 0.00 0.00 34.13 31.32 1p89 s GLU 118 CO 0.00 -3.48 1.93 -1.35 -0.49 0.00 0.00 175.26 171.87 1p89 h PRO 119 N -2.41 0.68 0.09 0.39 0.11 -2.01 -2.68 132.00 126.17 1p89 h PRO 119 Ca -0.46 -0.10 -0.26 0.00 0.11 0.00 0.00 66.00 65.30 1p89 h PRO 119 Cb 1.29 -0.12 -0.00 0.00 0.11 0.00 0.00 31.00 32.27 1p89 h PRO 119 CO 0.37 0.57 -1.17 -0.09 -0.21 0.00 0.00 178.00 177.47 1p89 h ARG 120 N 0.68 0.22 0.00 1.05 9.65 -1.94 -3.13 114.38 120.90 1p89 h ARG 120 Ca 0.16 -0.36 0.00 0.00 -1.10 0.00 0.00 59.98 58.68 1p89 h ARG 120 Cb 0.14 0.13 0.00 0.00 -1.39 0.00 0.00 29.97 28.86 1p89 h ARG 120 CO -0.02 1.16 0.00 1.98 2.80 0.00 0.00 179.97 185.90 1p89 h MET 121 N 0.07 0.00 0.00 0.20 4.05 -1.72 -0.71 114.93 116.82 1p89 h MET 121 Ca -0.10 0.00 0.00 0.00 -0.28 0.00 0.00 59.70 59.32 1p89 h MET 121 Cb 1.90 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 32.70 1p89 h MET 121 CO 0.19 0.00 0.00 1.63 0.23 0.00 0.00 176.91 178.96 1p89 n LYS 122 N -2.78 0.25 -0.45 0.39 4.76 -1.13 -2.25 118.16 116.94 1p89 n LYS 122 Ca -0.02 0.13 0.07 0.00 -2.87 0.00 0.00 58.31 55.61 1p89 n LYS 122 Cb 0.06 -1.50 0.19 0.00 -1.84 0.00 0.00 35.03 31.94 1p89 n LYS 122 CO 0.00 0.00 0.00 -0.85 -1.37 0.00 0.00 177.40 175.18 1p89 n GLU 123 N -1.24 1.49 -3.55 1.97 0.28 -0.27 -4.70 120.64 114.61 1p89 n GLU 123 Ca 0.08 -3.09 -0.40 0.00 -0.16 0.00 0.00 57.16 53.58 1p89 n GLU 123 Cb 0.11 -1.57 -0.06 0.00 1.43 0.00 0.00 31.44 31.35 1p89 n GLU 123 CO 0.00 0.00 0.00 1.03 -0.16 0.00 0.00 177.13 178.00 1p89 s ARG 124 N -3.11 3.19 -0.15 3.44 1.81 -0.95 -5.05 118.95 118.13 1p89 s ARG 124 Ca 0.36 -2.75 -0.39 0.00 -1.72 0.00 0.00 55.73 51.23 1p89 s ARG 124 Cb 0.34 -4.07 -0.16 0.00 -0.45 0.00 0.00 34.95 30.62 1p89 s ARG 124 CO -0.04 -1.23 1.59 -0.35 -0.68 0.00 0.00 175.30 174.58 1p89 n PRO 125 N 3.29 1.12 -0.72 3.54 -0.04 -1.18 -4.38 135.00 136.62 1p89 n PRO 125 Ca 0.14 0.41 0.06 0.00 -0.04 0.00 0.00 63.50 64.07 1p89 n PRO 125 Cb 0.40 -2.07 0.15 0.00 -0.04 0.00 0.00 33.50 31.95 1p89 n PRO 125 CO 0.00 0.00 0.00 1.51 -0.04 0.00 0.00 175.50 176.97 1p89 n ILE 126 N 3.80 1.61 0.04 0.52 3.06 -0.90 -4.81 119.36 122.68 1p89 n ILE 126 Ca 0.24 -2.51 -0.13 0.00 -2.50 0.00 0.00 62.75 57.84 1p89 n ILE 126 Cb 0.15 0.05 -0.09 0.00 0.54 0.00 0.00 39.64 40.29 1p89 n ILE 126 CO 0.00 0.00 0.00 1.23 -2.50 0.00 0.00 176.55 175.28 1p89 h GLY 127 N 0.83 -0.11 0.48 4.50 0.00 -1.89 -0.38 103.07 106.50 1p89 h GLY 127 Ca -0.05 0.04 0.21 0.00 0.00 0.00 0.00 47.33 47.53 1p89 h GLY 127 CO 0.02 -0.04 0.55 0.45 0.00 0.00 0.00 176.54 177.52 1p89 h HIS 128 N -0.45 0.18 0.02 5.60 3.86 -1.95 0.83 115.15 123.24 1p89 h HIS 128 Ca -0.01 0.01 -0.00 0.00 -1.16 0.00 0.00 60.37 59.20 1p89 h HIS 128 Cb 0.39 -0.06 0.00 0.00 1.06 0.00 0.00 27.41 28.81 1p89 h HIS 128 CO 0.04 0.05 -0.01 1.25 0.86 0.00 0.00 177.93 180.12 1p89 h LEU 129 N 0.14 -0.02 -1.94 2.43 5.85 -1.84 -3.06 115.31 116.86 1p89 h LEU 129 Ca 0.38 0.00 0.14 0.00 0.84 0.00 0.00 57.88 59.24 1p89 h LEU 129 Cb 1.30 0.01 -0.02 0.00 0.37 0.00 0.00 40.66 42.32 1p89 h LEU 129 CO -0.06 0.22 0.49 0.58 -0.34 0.00 0.00 178.44 179.33 1p89 h VAL 130 N -0.50 0.38 -0.05 1.05 2.07 -0.71 -0.47 116.25 118.01 1p89 h VAL 130 Ca -0.00 0.00 -0.04 0.00 0.82 0.00 0.00 66.70 67.47 1p89 h VAL 130 Cb 0.02 0.62 0.00 0.00 -1.52 0.00 0.00 31.29 30.41 1p89 h VAL 130 CO 0.00 0.00 -0.14 -0.78 0.02 0.00 0.00 177.57 176.68 1p89 h ASP 131 N 0.00 0.22 -0.11 0.57 3.58 0.57 -1.91 116.42 119.33 1p89 h ASP 131 Ca 0.23 -0.59 -0.00 0.00 0.42 0.00 0.00 57.03 57.08 1p89 h ASP 131 Cb 1.20 -0.06 -0.01 0.00 1.72 0.00 0.00 39.33 42.18 1p89 h ASP 131 CO -0.00 0.77 0.07 0.00 -2.88 0.00 0.00 179.24 177.20 1p89 h ALA 132 N 0.45 0.14 -0.62 -0.78 0.00 -0.99 0.52 119.26 117.98 1p89 h ALA 132 Ca -0.00 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.87 1p89 h ALA 132 Cb 0.74 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 18.46 1p89 h ALA 132 CO 0.03 -0.35 0.35 -0.07 0.00 0.00 0.00 179.25 179.21 1p89 h LEU 133 N 0.13 0.77 -1.53 0.00 3.38 -1.51 -1.59 115.31 114.95 1p89 h LEU 133 Ca 0.04 -0.08 -0.02 0.00 0.09 0.00 0.00 57.88 57.91 1p89 h LEU 133 Cb 0.02 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 40.55 1p89 h LEU 133 CO -0.01 0.63 0.12 0.03 0.09 0.00 0.00 178.44 179.30 1p89 h ARG 134 N 0.84 0.43 -0.00 1.13 3.08 -1.01 -0.72 114.38 118.13 1p89 h ARG 134 Ca 0.22 -0.05 -0.10 0.00 0.07 0.00 0.00 59.98 60.12 1p89 h ARG 134 Cb 0.03 -0.08 -0.01 0.00 0.08 0.00 0.00 29.97 29.98 1p89 h ARG 134 CO -0.04 0.36 -0.47 -0.07 -1.07 0.00 0.00 179.97 178.69 1p89 h LEU 135 N 0.43 0.00 -0.45 3.04 3.38 0.05 -2.59 115.31 119.17 1p89 h LEU 135 Ca 0.11 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.08 1p89 h LEU 135 Cb 0.09 -0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.84 1p89 h LEU 135 CO -0.01 0.47 0.00 1.23 0.09 0.00 0.00 178.44 180.22 1p89 h GLY 136 N 1.40 0.00 0.00 0.83 0.00 -0.55 -3.46 103.07 101.28 1p89 h GLY 136 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1p89 h GLY 136 CO 0.06 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.21 1p89 n GLY 137 N 0.75 -0.11 3.78 4.60 0.00 -0.97 -0.68 105.19 112.56 1p89 n GLY 137 Ca 0.03 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.69 1p89 n GLY 137 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1p89 s ALA 138 N -0.86 2.97 -0.49 4.61 0.00 -0.47 -3.36 121.76 124.16 1p89 s ALA 138 Ca 0.00 0.85 0.00 0.00 0.00 0.00 0.00 51.96 52.81 1p89 s ALA 138 Cb 0.00 -3.35 0.13 0.00 0.00 0.00 0.00 23.12 19.90 1p89 s ALA 138 CO 0.00 -0.54 0.26 0.15 0.00 0.00 0.00 175.76 175.63 1p89 s LYS 139 N -2.74 2.05 0.52 0.00 1.02 -0.68 -4.27 119.74 115.65 1p89 s LYS 139 Ca 0.63 -2.27 0.02 0.00 0.02 0.00 0.00 55.97 54.37 1p89 s LYS 139 Cb -0.26 -3.48 0.01 0.00 -0.52 0.00 0.00 37.83 33.58 1p89 s LYS 139 CO 0.31 -1.09 0.13 0.42 -0.92 0.00 0.00 175.35 174.20 1p89 s ILE 140 N 0.33 1.29 0.18 2.17 1.01 -1.25 0.11 121.20 125.03 1p89 s ILE 140 Ca 0.14 -1.84 -0.08 0.00 0.00 0.00 0.00 60.65 58.87 1p89 s ILE 140 Cb -0.22 -2.13 0.03 0.00 0.01 0.00 0.00 42.46 40.15 1p89 s ILE 140 CO -0.04 0.00 0.40 1.07 0.00 0.00 0.00 174.94 176.38 1p89 n THR 141 N -1.43 0.00 -3.97 2.92 5.66 -0.50 -4.89 114.28 112.07 1p89 n THR 141 Ca -0.14 -0.45 -0.31 0.00 -3.05 0.00 0.00 64.05 60.10 1p89 n THR 141 Cb 0.66 0.46 -0.15 0.00 -1.55 0.00 0.00 70.33 69.75 1p89 n THR 141 CO 0.00 0.00 0.00 -0.31 -3.05 0.00 0.00 175.07 171.71 1p89 s TYR 142 N -5.43 2.71 -0.70 1.09 2.02 -1.26 -2.82 117.35 112.96 1p89 s TYR 142 Ca 0.08 -2.01 0.25 0.00 -0.37 0.00 0.00 57.07 55.03 1p89 s TYR 142 Cb -0.02 -1.78 0.53 0.00 -0.40 0.00 0.00 41.96 40.29 1p89 s TYR 142 CO 0.05 -0.82 1.49 1.28 -1.57 0.00 0.00 175.55 175.98 1p89 n LEU 143 N 4.58 0.70 0.00 -1.29 7.99 -1.17 -4.75 117.00 123.06 1p89 n LEU 143 Ca -0.11 0.34 0.00 0.00 -0.01 0.00 0.00 56.01 56.23 1p89 n LEU 143 Cb 0.43 -0.24 0.00 0.00 -0.11 0.00 0.00 43.42 43.50 1p89 n LEU 143 CO 0.19 -0.08 0.00 1.21 -1.51 0.00 0.00 177.39 177.19 1p89 n GLU 144 N -2.11 0.00 -4.71 3.23 2.13 -1.26 -5.07 120.64 112.85 1p89 n GLU 144 Ca 0.04 0.00 -0.30 0.00 0.66 0.00 0.00 57.16 57.56 1p89 n GLU 144 Cb 0.43 -0.00 -0.13 0.00 0.27 0.00 0.00 31.44 32.00 1p89 n GLU 144 CO 0.00 0.00 0.00 -0.65 -0.41 0.00 0.00 177.13 176.07 1p89 s GLN 145 N -1.02 1.87 0.01 5.31 -0.21 -1.26 -5.09 119.66 119.26 1p89 s GLN 145 Ca 0.00 -1.09 -0.30 0.00 0.02 0.00 0.00 55.36 53.99 1p89 s GLN 145 Cb 0.00 -2.06 -0.04 0.00 1.00 0.00 0.00 33.01 31.91 1p89 s GLN 145 CO 0.00 0.51 1.11 -1.21 -2.12 0.00 0.00 175.29 173.59 1p89 s GLU 146 N -1.47 4.46 -0.89 2.91 2.02 -1.26 -3.42 118.70 121.05 1p89 s GLU 146 Ca 0.14 1.61 -0.00 0.00 0.02 0.00 0.00 54.97 56.73 1p89 s GLU 146 Cb -0.10 -3.44 0.00 0.00 0.10 0.00 0.00 34.13 30.69 1p89 s GLU 146 CO 0.04 -0.22 0.75 0.09 0.02 0.00 0.00 175.26 175.93 1p89 n ASN 147 N 4.22 -2.20 -3.16 -0.19 3.02 -1.26 -4.90 115.26 110.79 1p89 n ASN 147 Ca 0.08 -0.46 -0.14 0.00 -0.03 0.00 0.00 54.58 54.03 1p89 n ASN 147 Cb 0.48 -3.92 -0.03 0.00 -0.61 0.00 0.00 39.78 35.70 1p89 n ASN 147 CO 0.00 0.00 0.00 -0.31 -2.62 0.00 0.00 177.26 174.33 1p89 s TYR 148 N -3.26 1.00 0.30 3.10 2.02 -1.22 -2.11 117.35 117.18 1p89 s TYR 148 Ca 0.02 -1.27 0.04 0.00 -0.37 0.00 0.00 57.07 55.49 1p89 s TYR 148 Cb -0.01 -0.00 0.79 0.00 -0.40 0.00 0.00 41.96 42.34 1p89 s TYR 148 CO 0.54 -1.19 1.62 -1.00 -1.57 0.00 0.00 175.55 173.95 1p89 h PRO 149 N 2.08 0.15 -5.88 -1.71 0.13 -1.80 -3.39 132.00 121.58 1p89 h PRO 149 Ca -0.29 -0.01 -0.51 0.00 -0.87 0.00 0.00 66.00 64.33 1p89 h PRO 149 Cb 1.24 -0.03 -0.01 0.00 0.13 0.00 0.00 31.00 32.33 1p89 h PRO 149 CO 0.39 0.10 1.47 -1.25 -0.23 0.00 0.00 178.00 178.47 1p89 s PRO 150 N -5.91 2.58 -0.04 1.56 0.04 -1.24 -3.35 135.00 128.65 1p89 s PRO 150 Ca -0.12 1.21 -0.01 0.00 0.04 0.00 0.00 61.00 62.12 1p89 s PRO 150 Cb 0.27 -4.44 0.03 0.00 0.04 0.00 0.00 34.50 30.41 1p89 s PRO 150 CO 0.77 -2.75 0.04 -0.51 0.04 0.00 0.00 177.00 174.59 1p89 s LEU 151 N 9.92 0.57 -0.35 -3.56 1.43 -1.07 -3.04 118.68 122.57 1p89 s LEU 151 Ca 0.85 0.04 -0.10 0.00 -1.03 0.00 0.00 54.13 53.89 1p89 s LEU 151 Cb -0.18 -0.15 0.01 0.00 0.03 0.00 0.00 46.19 45.90 1p89 s LEU 151 CO 0.26 -0.19 0.19 -0.60 0.23 0.00 0.00 176.35 176.24 1p89 s ARG 152 N 1.70 3.05 0.36 1.70 3.52 -1.13 0.21 118.95 128.36 1p89 s ARG 152 Ca -0.01 -0.92 -0.00 0.00 -0.13 0.00 0.00 55.73 54.67 1p89 s ARG 152 Cb -0.12 -3.67 -0.03 0.00 -1.56 0.00 0.00 34.95 29.57 1p89 s ARG 152 CO -0.03 -0.58 0.57 -0.51 -0.81 0.00 0.00 175.30 173.95 1p89 s LEU 153 N 1.58 3.97 0.00 -0.88 1.43 0.55 -1.41 118.68 123.93 1p89 s LEU 153 Ca 0.03 0.50 0.06 0.00 -1.03 0.00 0.00 54.13 53.70 1p89 s LEU 153 Cb -0.18 -3.37 0.11 0.00 0.03 0.00 0.00 46.19 42.77 1p89 s LEU 153 CO 0.07 -0.32 0.93 0.00 0.23 0.00 0.00 176.35 177.25 1p89 n GLN 154 N -1.83 0.00 0.00 1.70 6.02 0.29 -1.63 117.38 121.93 1p89 n GLN 154 Ca -0.04 -1.02 0.00 0.00 -0.01 0.00 0.00 57.00 55.93 1p89 n GLN 154 Cb 0.56 -0.11 0.00 0.00 1.02 0.00 0.00 30.24 31.71 1p89 n GLN 154 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1p89 n GLY 155 N 0.12 -0.10 0.00 1.08 0.00 -1.01 -3.64 105.19 101.64 1p89 n GLY 155 Ca -0.03 -0.80 0.00 0.00 0.00 0.00 0.00 46.02 45.20 1p89 n GLY 155 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1p89 n GLY 156 N 0.00 0.56 3.60 -0.02 0.00 0.19 -1.68 105.19 107.84 1p89 n GLY 156 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 1p89 n GLY 156 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1p89 s PHE 157 N -2.00 1.38 -0.18 1.61 5.36 0.14 -3.89 117.98 120.40 1p89 s PHE 157 Ca 0.00 0.65 -0.07 0.00 -0.96 0.00 0.00 56.93 56.55 1p89 s PHE 157 Cb 0.00 -3.97 -0.09 0.00 -0.34 0.00 0.00 43.02 38.62 1p89 s PHE 157 CO 0.00 -3.56 -0.22 0.25 -1.46 0.00 0.00 175.22 170.23 1p89 n THR 158 N 7.66 0.99 -0.71 0.12 -2.24 -0.95 -4.30 114.28 114.85 1p89 n THR 158 Ca 0.28 -0.28 0.00 0.00 -2.27 0.00 0.00 64.05 61.78 1p89 n THR 158 Cb 0.46 -1.60 0.00 0.00 -2.10 0.00 0.00 70.33 67.09 1p89 n THR 158 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1p89 n GLY 159 N 2.05 0.60 0.00 3.38 0.00 0.15 0.44 105.19 111.80 1p89 n GLY 159 Ca -0.35 -1.78 0.00 0.00 0.00 0.00 0.00 46.02 43.89 1p89 n GLY 159 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1p89 n GLY 160 N 0.00 2.56 3.69 -0.02 0.00 -0.34 -4.42 105.19 106.66 1p89 n GLY 160 Ca 0.00 -2.10 -0.42 0.00 0.00 0.00 0.00 46.02 43.50 1p89 n GLY 160 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1p89 s ASN 161 N 0.00 6.60 0.06 1.61 -0.87 -1.26 -1.16 114.94 119.91 1p89 s ASN 161 Ca 0.00 2.49 0.02 0.00 -1.57 0.00 0.00 52.86 53.79 1p89 s ASN 161 Cb 0.00 -2.56 -0.03 0.00 -0.02 0.00 0.00 41.25 38.64 1p89 s ASN 161 CO 0.00 -0.89 -0.07 -0.69 -2.57 0.00 0.00 177.10 172.88 1p89 s VAL 162 N 2.69 0.52 -0.20 1.60 1.01 0.51 -4.87 120.40 121.65 1p89 s VAL 162 Ca 0.74 -1.38 0.01 0.00 0.00 0.00 0.00 61.98 61.35 1p89 s VAL 162 Cb -0.40 -0.97 0.02 0.00 0.00 0.00 0.00 36.38 35.04 1p89 s VAL 162 CO 0.32 -0.59 -0.16 -1.81 0.00 0.00 0.00 175.10 172.86 1p89 s ASP 163 N -2.11 3.52 0.08 3.32 1.11 -1.26 0.18 116.67 121.50 1p89 s ASP 163 Ca -0.03 -0.77 0.09 0.00 0.18 0.00 0.00 52.55 52.02 1p89 s ASP 163 Cb -0.04 -1.53 -0.03 0.00 1.07 0.00 0.00 42.92 42.39 1p89 s ASP 163 CO -0.02 -0.04 -0.21 0.54 1.18 0.00 0.00 175.17 176.61 1p89 s VAL 164 N 1.28 2.58 0.08 -1.27 0.11 0.17 -4.55 120.40 118.80 1p89 s VAL 164 Ca 0.02 -1.40 -0.27 0.00 -2.93 0.00 0.00 61.98 57.40 1p89 s VAL 164 Cb -0.14 -2.11 -0.06 0.00 -1.53 0.00 0.00 36.38 32.54 1p89 s VAL 164 CO -0.10 0.24 0.84 -0.62 -3.33 0.00 0.00 175.10 172.13 1p89 s ASP 165 N -1.68 7.33 -0.02 3.54 -1.08 -1.26 0.43 116.67 123.94 1p89 s ASP 165 Ca 0.15 1.59 -0.21 0.00 -0.52 0.00 0.00 52.55 53.57 1p89 s ASP 165 Cb -0.10 -2.52 -0.28 0.00 -1.46 0.00 0.00 42.92 38.56 1p89 s ASP 165 CO 0.06 -0.01 1.00 1.23 0.52 0.00 0.00 175.17 177.98 1p89 h GLY 166 N 5.55 0.41 -1.51 2.66 0.00 -1.75 -3.42 103.07 105.02 1p89 h GLY 166 Ca -0.44 -0.87 -0.48 0.00 0.00 0.00 0.00 47.33 45.55 1p89 h GLY 166 CO 0.71 0.76 -0.67 -1.26 0.00 0.00 0.00 176.54 176.09 1p89 n SER 167 N -4.15 -2.00 -2.45 0.19 2.88 -0.62 -2.92 113.62 104.55 1p89 n SER 167 Ca -0.12 0.02 -0.09 0.00 -1.33 0.00 0.00 58.87 57.34 1p89 n SER 167 Cb 0.76 -1.11 0.05 0.00 -0.75 0.00 0.00 64.21 63.15 1p89 n SER 167 CO 0.00 0.00 0.00 0.52 -1.23 0.00 0.00 175.04 174.33 1p89 n VAL 168 N -4.33 -4.48 -1.60 2.46 0.31 -1.26 -4.79 118.33 104.65 1p89 n VAL 168 Ca 0.03 -0.51 0.00 0.00 -0.01 0.00 0.00 64.34 63.85 1p89 n VAL 168 Cb 0.58 -4.43 0.00 0.00 -0.91 0.00 0.00 33.84 29.07 1p89 n VAL 168 CO 0.00 0.00 0.00 -0.24 -1.32 0.00 0.00 176.83 175.27 1p89 n SER 169 N -2.35 -8.66 0.00 4.52 2.88 -1.26 -4.54 113.62 104.21 1p89 n SER 169 Ca -0.11 1.33 0.07 0.00 -1.33 0.00 0.00 58.87 58.83 1p89 n SER 169 Cb 0.58 -4.89 0.38 0.00 -0.75 0.00 0.00 64.21 59.53 1p89 n SER 169 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 1p89 n SER 170 N -1.09 0.00 0.14 -3.46 7.64 -1.26 -3.28 113.62 112.30 1p89 n SER 170 Ca 0.00 0.01 0.19 0.00 1.01 0.00 0.00 58.87 60.08 1p89 n SER 170 Cb 0.06 -0.25 0.68 0.00 -1.01 0.00 0.00 64.21 63.69 1p89 n SER 170 CO 0.00 0.00 0.00 1.56 -3.01 0.00 0.00 175.04 173.59 1p89 h GLN 171 N 0.00 0.00 0.27 1.43 1.08 -1.87 1.13 115.11 117.15 1p89 h GLN 171 Ca 0.00 0.00 -0.01 0.00 -1.45 0.00 0.00 58.65 57.19 1p89 h GLN 171 Cb 0.12 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.55 1p89 h GLN 171 CO 0.00 0.00 -0.13 0.74 -0.95 0.00 0.00 178.83 178.49 1p89 h PHE 172 N 0.00 -0.33 0.00 2.96 -1.00 -1.80 -1.73 116.94 115.04 1p89 h PHE 172 Ca 0.16 -0.01 -0.19 0.00 2.81 0.00 0.00 57.97 60.75 1p89 h PHE 172 Cb 1.25 0.11 -0.02 0.00 3.61 0.00 0.00 35.95 40.90 1p89 h PHE 172 CO 0.00 0.02 -0.86 1.25 -1.61 0.00 0.00 178.31 177.11 1p89 h LEU 173 N -0.80 0.08 -1.57 1.54 5.85 -1.20 -3.03 115.31 116.18 1p89 h LEU 173 Ca -0.04 -0.07 -0.01 0.00 0.84 0.00 0.00 57.88 58.60 1p89 h LEU 173 Cb 0.51 -0.03 -0.02 0.00 0.37 0.00 0.00 40.66 41.50 1p89 h LEU 173 CO 0.06 0.90 0.15 0.74 -0.34 0.00 0.00 178.44 179.96 1p89 h THR 174 N 0.03 1.11 0.08 1.05 2.02 0.12 0.77 112.91 118.09 1p89 h THR 174 Ca -0.02 -0.32 -0.00 0.00 0.77 0.00 0.00 66.41 66.84 1p89 h THR 174 Cb 1.51 0.71 0.00 0.00 -1.74 0.00 0.00 68.15 68.63 1p89 h THR 174 CO 0.12 0.13 -0.04 0.00 0.37 0.00 0.00 175.52 176.10 1p89 h ALA 175 N 1.73 -0.11 -0.33 6.16 0.00 -1.22 -1.74 119.26 123.75 1p89 h ALA 175 Ca 0.11 -0.23 -0.10 0.00 0.00 0.00 0.00 54.91 54.69 1p89 h ALA 175 Cb 0.05 0.04 -0.02 0.00 0.00 0.00 0.00 17.79 17.87 1p89 h ALA 175 CO -0.02 -0.31 -0.20 -0.07 0.00 0.00 0.00 179.25 178.65 1p89 h LEU 176 N -0.61 0.62 -1.33 0.00 3.38 -1.36 0.44 115.31 116.45 1p89 h LEU 176 Ca -0.01 -0.20 -0.05 0.00 0.09 0.00 0.00 57.88 57.70 1p89 h LEU 176 Cb 0.50 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 41.08 1p89 h LEU 176 CO 0.02 0.82 -0.26 -0.07 0.09 0.00 0.00 178.44 179.04 1p89 h LEU 177 N 0.55 0.00 0.00 1.67 3.38 0.54 1.10 115.31 122.55 1p89 h LEU 177 Ca 0.08 0.00 -0.23 0.00 0.09 0.00 0.00 57.88 57.82 1p89 h LEU 177 Cb 0.65 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.36 1p89 h LEU 177 CO 0.05 0.26 -1.90 0.23 0.09 0.00 0.00 178.44 177.16 1p89 n MET 178 N -3.61 0.65 -0.09 1.13 2.81 -0.66 -4.13 117.12 113.23 1p89 n MET 178 Ca -0.01 0.08 -0.23 0.00 -1.81 0.00 0.00 57.70 55.74 1p89 n MET 178 Cb 0.39 -1.66 -0.12 0.00 -0.71 0.00 0.00 33.22 31.12 1p89 n MET 178 CO 0.00 0.00 0.00 2.41 1.51 0.00 0.00 175.97 179.89 1p89 n THR 179 N -2.76 1.59 -0.13 2.03 -1.04 0.15 -4.43 114.28 109.69 1p89 n THR 179 Ca -0.18 -0.25 0.01 0.00 -2.04 0.00 0.00 64.05 61.59 1p89 n THR 179 Cb 0.95 -1.92 0.29 0.00 -1.82 0.00 0.00 70.33 67.83 1p89 n THR 179 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1p89 h ALA 180 N -0.41 1.49 -0.92 2.41 0.00 0.11 -2.34 119.26 119.60 1p89 h ALA 180 Ca -0.43 -0.08 0.14 0.00 0.00 0.00 0.00 54.91 54.54 1p89 h ALA 180 Cb 1.55 -0.24 -0.07 0.00 0.00 0.00 0.00 17.79 19.02 1p89 h ALA 180 CO -0.17 0.44 0.59 -1.00 0.00 0.00 0.00 179.25 179.11 1p89 h PRO 181 N 0.82 0.75 -0.00 0.00 0.13 -1.72 0.26 132.00 132.24 1p89 h PRO 181 Ca 0.21 -0.04 0.00 0.00 -0.87 0.00 0.00 66.00 65.30 1p89 h PRO 181 Cb -0.01 -0.17 0.00 0.00 0.13 0.00 0.00 31.00 30.95 1p89 h PRO 181 CO -0.04 0.49 -0.16 1.28 -0.23 0.00 0.00 178.00 179.35 1p89 n LEU 182 N -4.58 0.22 -4.66 1.56 4.32 -0.91 0.16 117.00 113.10 1p89 n LEU 182 Ca 0.18 0.27 -0.42 0.00 -0.02 0.00 0.00 56.01 56.01 1p89 n LEU 182 Cb 0.44 -0.36 -0.03 0.00 -1.62 0.00 0.00 43.42 41.85 1p89 n LEU 182 CO 0.29 0.05 1.36 0.00 -1.22 0.00 0.00 177.39 177.86 1p89 s ALA 183 N -2.89 3.62 0.54 -1.18 0.00 0.92 -4.17 121.76 118.60 1p89 s ALA 183 Ca 0.17 0.93 0.43 0.00 0.00 0.00 0.00 51.96 53.48 1p89 s ALA 183 Cb 0.19 -3.74 1.47 0.00 0.00 0.00 0.00 23.12 21.04 1p89 s ALA 183 CO 0.56 -1.38 1.42 -2.30 0.00 0.00 0.00 175.76 174.06 1p89 n PRO 184 N 7.07 0.00 -4.11 0.00 -0.01 -1.22 0.27 135.00 137.00 1p89 n PRO 184 Ca 0.17 1.01 -0.29 0.00 -0.01 0.00 0.00 63.50 64.38 1p89 n PRO 184 Cb 0.43 -2.37 -0.07 0.00 -0.01 0.00 0.00 33.50 31.47 1p89 n PRO 184 CO 0.00 0.00 0.00 -1.21 -0.01 0.00 0.00 175.50 174.28 1p89 s GLU 185 N -4.65 2.68 -0.12 -0.52 2.02 0.17 -3.86 118.70 114.42 1p89 s GLU 185 Ca -0.04 -0.84 -0.29 0.00 0.02 0.00 0.00 54.97 53.82 1p89 s GLU 185 Cb 0.23 -2.59 -0.05 0.00 0.10 0.00 0.00 34.13 31.82 1p89 s GLU 185 CO 0.75 0.53 1.73 0.34 0.02 0.00 0.00 175.26 178.63 1p89 s ASP 186 N -2.55 6.41 -0.14 -0.19 2.15 -1.26 -3.70 116.67 117.39 1p89 s ASP 186 Ca 0.28 2.01 -0.06 0.00 0.43 0.00 0.00 52.55 55.21 1p89 s ASP 186 Cb -0.11 -2.53 -0.04 0.00 -0.30 0.00 0.00 42.92 39.94 1p89 s ASP 186 CO 0.20 -1.17 0.07 -0.89 -0.17 0.00 0.00 175.17 173.21 1p89 s THR 187 N 4.96 4.89 -0.34 1.71 2.01 -0.64 -1.19 115.64 127.04 1p89 s THR 187 Ca 0.77 -0.01 0.02 0.00 0.31 0.00 0.00 61.69 62.78 1p89 s THR 187 Cb -0.31 -3.14 0.10 0.00 0.01 0.00 0.00 72.50 69.16 1p89 s THR 187 CO 0.31 0.54 0.09 -0.69 -0.69 0.00 0.00 174.62 174.19 1p89 s VAL 188 N -0.36 1.65 0.10 3.82 1.01 -0.31 0.12 120.40 126.42 1p89 s VAL 188 Ca 0.09 -2.01 -0.18 0.00 0.00 0.00 0.00 61.98 59.88 1p89 s VAL 188 Cb -0.12 -2.22 -0.07 0.00 0.00 0.00 0.00 36.38 33.97 1p89 s VAL 188 CO 0.02 -0.66 0.56 -0.63 0.00 0.00 0.00 175.10 174.39 1p89 s ILE 189 N 1.11 4.78 0.43 2.22 1.09 -0.79 0.19 121.20 130.23 1p89 s ILE 189 Ca 0.11 1.09 0.07 0.00 -1.10 0.00 0.00 60.65 60.82 1p89 s ILE 189 Cb -0.19 -3.84 -0.04 0.00 -1.06 0.00 0.00 42.46 37.34 1p89 s ILE 189 CO -0.14 0.45 0.24 0.00 -0.10 0.00 0.00 174.94 175.39 1p89 s ARG 190 N -1.39 2.29 -0.49 2.79 1.70 0.47 0.35 118.95 124.67 1p89 s ARG 190 Ca 0.32 -1.81 -0.06 0.00 -0.47 0.00 0.00 55.73 53.71 1p89 s ARG 190 Cb -0.18 -2.06 0.13 0.00 -0.57 0.00 0.00 34.95 32.27 1p89 s ARG 190 CO 0.19 -0.19 0.33 0.42 -1.08 0.00 0.00 175.30 174.97 1p89 s ILE 191 N -2.60 3.81 0.00 4.99 -1.09 0.65 0.46 121.20 127.41 1p89 s ILE 191 Ca 0.41 -2.17 0.00 0.00 -2.23 0.00 0.00 60.65 56.66 1p89 s ILE 191 Cb 0.02 -3.53 0.00 0.00 -1.58 0.00 0.00 42.46 37.37 1p89 s ILE 191 CO 0.23 -0.78 0.40 0.29 -1.23 0.00 0.00 174.94 173.85 1p89 n LYS 192 N 4.45 0.00 -1.97 2.79 5.02 0.17 -4.85 118.16 123.76 1p89 n LYS 192 Ca -0.01 0.00 -0.29 0.00 -2.02 0.00 0.00 58.31 55.99 1p89 n LYS 192 Cb 0.41 -0.90 0.14 0.00 -0.02 0.00 0.00 35.03 34.67 1p89 n LYS 192 CO 0.00 0.00 0.00 0.20 -0.52 0.00 0.00 177.40 177.08 1p89 s GLY 193 N 0.00 1.72 0.07 0.72 0.00 -1.26 -4.89 107.32 103.67 1p89 s GLY 193 Ca 0.00 -1.04 -0.31 0.00 0.00 0.00 0.00 44.72 43.37 1p89 s GLY 193 CO 0.00 -0.39 1.68 0.99 0.00 0.00 0.00 173.10 175.38 1p89 s ASP 194 N -4.76 6.59 0.59 1.64 1.01 -1.26 -3.27 116.67 117.20 1p89 s ASP 194 Ca 0.69 2.50 -0.20 0.00 0.71 0.00 0.00 52.55 56.25 1p89 s ASP 194 Cb -0.07 -2.56 -0.03 0.00 1.01 0.00 0.00 42.92 41.27 1p89 s ASP 194 CO 0.51 -0.90 1.32 -0.22 0.21 0.00 0.00 175.17 176.08 1p89 s LEU 195 N 2.77 3.72 -0.02 1.23 2.96 -1.26 -1.59 118.68 126.49 1p89 s LEU 195 Ca 0.75 2.67 0.17 0.00 -0.22 0.00 0.00 54.13 57.49 1p89 s LEU 195 Cb -0.40 -4.45 -0.25 0.00 0.50 0.00 0.00 46.19 41.59 1p89 s LEU 195 CO 0.33 -1.76 0.38 0.55 -1.32 0.00 0.00 176.35 174.53 1p89 n VAL 196 N -1.45 0.00 -2.54 1.68 3.14 -1.15 -4.52 118.33 113.50 1p89 n VAL 196 Ca 0.13 -0.36 -0.14 0.00 -2.96 0.00 0.00 64.34 61.01 1p89 n VAL 196 Cb 0.47 0.18 0.03 0.00 -1.06 0.00 0.00 33.84 33.45 1p89 n VAL 196 CO 0.00 0.00 0.00 -1.20 -6.46 0.00 0.00 176.83 169.17 1p89 n SER 197 N -2.03 2.93 -0.15 6.55 7.64 -1.26 -4.89 113.62 122.42 1p89 n SER 197 Ca -0.03 -2.97 -0.06 0.00 1.01 0.00 0.00 58.87 56.82 1p89 n SER 197 Cb 0.42 -0.46 -0.05 0.00 -1.01 0.00 0.00 64.21 63.11 1p89 n SER 197 CO 0.00 0.00 0.00 0.50 -3.01 0.00 0.00 175.04 172.53 1p89 h LYS 198 N 2.64 -0.06 0.00 1.43 3.64 -1.95 0.38 116.57 122.65 1p89 h LYS 198 Ca 0.08 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.46 1p89 h LYS 198 Cb 1.21 0.01 0.00 0.00 -0.41 0.00 0.00 32.23 33.05 1p89 h LYS 198 CO 0.55 -0.04 0.00 -1.35 -2.27 0.00 0.00 179.45 176.34 1p89 h PRO 199 N -0.06 0.00 0.00 1.90 0.11 -1.98 -2.21 132.00 129.75 1p89 h PRO 199 Ca 0.06 0.00 -0.15 0.00 0.11 0.00 0.00 66.00 66.02 1p89 h PRO 199 Cb 0.22 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 31.31 1p89 h PRO 199 CO -0.38 0.00 -0.70 1.88 -0.21 0.00 0.00 178.00 178.59 1p89 h TYR 200 N 0.00 0.00 -0.04 0.65 0.05 -1.08 -3.02 116.97 113.53 1p89 h TYR 200 Ca 0.00 0.00 -0.11 0.00 0.05 0.00 0.00 58.73 58.67 1p89 h TYR 200 Cb 0.36 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 38.09 1p89 h TYR 200 CO 0.00 0.70 -0.47 0.97 -1.05 0.00 0.00 178.16 178.31 1p89 h ILE 201 N 0.00 1.34 -0.20 -2.88 6.09 0.26 -2.39 117.51 119.72 1p89 h ILE 201 Ca -0.01 -1.65 -0.04 0.00 -1.37 0.00 0.00 64.86 61.79 1p89 h ILE 201 Cb 1.30 1.84 -0.01 0.00 0.47 0.00 0.00 36.82 40.42 1p89 h ILE 201 CO 0.09 0.48 -0.06 -0.78 -3.07 0.00 0.00 178.15 174.81 1p89 h ASP 202 N 0.07 0.29 -0.00 2.19 3.58 -1.56 -1.18 116.42 119.81 1p89 h ASP 202 Ca 0.00 -0.05 -0.06 0.00 0.42 0.00 0.00 57.03 57.34 1p89 h ASP 202 Cb 0.87 -0.07 -0.01 0.00 1.72 0.00 0.00 39.33 41.83 1p89 h ASP 202 CO 0.07 0.39 -0.15 0.40 -2.88 0.00 0.00 179.24 177.07 1p89 h ILE 203 N 0.30 1.20 0.38 2.25 2.04 -1.45 0.31 117.51 122.53 1p89 h ILE 203 Ca 0.06 -0.89 -0.02 0.00 1.00 0.00 0.00 64.86 65.01 1p89 h ILE 203 Cb 0.31 1.23 0.00 0.00 -0.74 0.00 0.00 36.82 37.62 1p89 h ILE 203 CO 0.01 0.28 -0.18 0.74 0.00 0.00 0.00 178.15 179.00 1p89 h THR 204 N 0.28 0.63 -0.35 -0.27 2.02 -1.15 0.10 112.91 114.17 1p89 h THR 204 Ca 0.05 -0.01 -0.13 0.00 0.77 0.00 0.00 66.41 67.10 1p89 h THR 204 Cb 0.43 0.63 -0.01 0.00 -1.74 0.00 0.00 68.15 67.46 1p89 h THR 204 CO 0.03 0.00 -0.30 -0.07 0.37 0.00 0.00 175.52 175.55 1p89 h LEU 205 N -0.51 0.78 -1.86 2.58 3.38 -1.39 -0.82 115.31 117.46 1p89 h LEU 205 Ca -0.05 -0.31 -0.02 0.00 0.09 0.00 0.00 57.88 57.59 1p89 h LEU 205 Cb 0.39 -0.22 -0.00 0.00 0.09 0.00 0.00 40.66 40.92 1p89 h LEU 205 CO 0.09 1.03 -0.10 -1.13 0.09 0.00 0.00 178.44 178.42 1p89 h ASN 206 N 0.64 0.00 0.04 -0.43 -1.24 -0.17 0.26 115.58 114.68 1p89 h ASN 206 Ca 0.07 0.00 -0.22 0.00 0.71 0.00 0.00 56.30 56.86 1p89 h ASN 206 Cb 0.82 0.00 0.02 0.00 0.73 0.00 0.00 38.32 39.89 1p89 h ASN 206 CO 0.07 0.10 -0.90 -0.07 -1.29 0.00 0.00 177.43 175.34 1p89 h LEU 207 N 0.00 0.72 -0.72 0.34 -0.00 -0.29 -2.49 115.31 112.87 1p89 h LEU 207 Ca -0.00 -0.78 0.02 0.00 -0.00 0.00 0.00 57.88 57.11 1p89 h LEU 207 Cb 0.18 -0.22 -0.04 0.00 -0.00 0.00 0.00 40.66 40.57 1p89 h LEU 207 CO 0.01 1.42 0.47 0.24 -0.00 0.00 0.00 178.44 180.58 1p89 h MET 208 N 0.11 0.92 0.43 1.13 2.86 0.22 -1.29 114.93 119.30 1p89 h MET 208 Ca -0.12 -0.06 -0.02 0.00 -2.06 0.00 0.00 59.70 57.44 1p89 h MET 208 Cb 1.59 -0.21 0.00 0.00 0.06 0.00 0.00 31.60 33.05 1p89 h MET 208 CO 0.17 0.61 -0.20 0.87 1.06 0.00 0.00 176.91 179.42 1p89 h LYS 209 N 0.95 -0.55 -0.69 1.72 1.57 0.15 0.38 116.57 120.10 1p89 h LYS 209 Ca 0.27 0.04 0.20 0.00 -1.87 0.00 0.00 60.65 59.29 1p89 h LYS 209 Cb -0.07 0.13 -0.03 0.00 0.08 0.00 0.00 32.23 32.34 1p89 h LYS 209 CO -0.08 -0.26 0.61 0.00 -0.57 0.00 0.00 179.45 179.16 1p89 h THR 210 N -0.82 0.40 0.00 -0.16 1.03 -1.29 0.14 112.91 112.20 1p89 h THR 210 Ca -0.06 0.00 -0.00 0.00 -0.01 0.00 0.00 66.41 66.34 1p89 h THR 210 Cb 0.55 0.54 0.00 0.00 -1.07 0.00 0.00 68.15 68.17 1p89 h THR 210 CO 0.10 0.00 -0.00 -0.26 -0.01 0.00 0.00 175.52 175.35 1p89 h PHE 211 N 0.00 -0.00 0.00 0.00 -1.00 -0.83 -3.43 116.94 111.67 1p89 h PHE 211 Ca 0.33 -0.00 0.00 0.00 2.81 0.00 0.00 57.97 61.11 1p89 h PHE 211 Cb 1.55 0.00 0.00 0.00 3.61 0.00 0.00 35.95 41.11 1p89 h PHE 211 CO 0.00 0.92 0.00 0.41 -1.61 0.00 0.00 178.31 178.03 1p89 n GLY 212 N 1.46 -0.37 3.34 -1.45 0.00 0.04 -2.64 105.19 105.56 1p89 n GLY 212 Ca -0.10 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.61 1p89 n GLY 212 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1p89 s VAL 213 N 0.00 2.26 0.12 1.61 1.01 0.11 -4.77 120.40 120.75 1p89 s VAL 213 Ca 0.00 -1.03 0.04 0.00 0.00 0.00 0.00 61.98 60.99 1p89 s VAL 213 Cb 0.00 -1.81 -0.04 0.00 0.00 0.00 0.00 36.38 34.53 1p89 s VAL 213 CO 0.00 0.58 -0.10 -1.61 0.00 0.00 0.00 175.10 173.97 1p89 s GLU 214 N -0.62 0.97 0.29 2.72 2.02 -1.26 -0.81 118.70 122.01 1p89 s GLU 214 Ca 0.10 -1.31 0.04 0.00 0.02 0.00 0.00 54.97 53.81 1p89 s GLU 214 Cb -0.10 -0.60 -0.04 0.00 0.10 0.00 0.00 34.13 33.49 1p89 s GLU 214 CO -0.01 0.08 0.19 0.96 0.02 0.00 0.00 175.26 176.51 1p89 s ILE 215 N -2.88 0.14 -0.22 -1.63 -5.25 -1.26 -4.27 121.20 105.83 1p89 s ILE 215 Ca 0.11 -2.00 -0.18 0.00 -0.99 0.00 0.00 60.65 57.59 1p89 s ILE 215 Cb -0.00 -2.50 -0.03 0.00 2.95 0.00 0.00 42.46 42.88 1p89 s ILE 215 CO 0.00 0.00 0.51 -0.70 -1.79 0.00 0.00 174.94 172.96 1p89 s GLU 216 N -3.76 4.16 -0.53 0.37 2.12 0.40 -4.94 118.70 116.51 1p89 s GLU 216 Ca 0.38 0.38 -0.16 0.00 0.36 0.00 0.00 54.97 55.92 1p89 s GLU 216 Cb 0.04 -3.58 0.12 0.00 0.26 0.00 0.00 34.13 30.97 1p89 s GLU 216 CO 0.20 -0.20 0.50 1.21 -0.54 0.00 0.00 175.26 176.43 1p89 s ASN 217 N 1.25 6.18 0.88 -1.70 2.47 -1.26 -0.58 114.94 122.18 1p89 s ASN 217 Ca 0.23 -1.69 0.00 0.00 0.42 0.00 0.00 52.86 51.82 1p89 s ASN 217 Cb -0.15 -2.21 0.00 0.00 -1.45 0.00 0.00 41.25 37.43 1p89 s ASN 217 CO 0.09 -0.85 0.00 0.00 -3.72 0.00 0.00 177.10 172.63 1p89 n GLN 218 N 5.33 -0.99 -0.60 0.43 1.13 -0.77 -4.75 117.38 117.16 1p89 n GLN 218 Ca -0.13 0.00 -0.06 0.00 -1.94 0.00 0.00 57.00 54.86 1p89 n GLN 218 Cb 0.41 0.00 -0.09 0.00 0.11 0.00 0.00 30.24 30.67 1p89 n GLN 218 CO 0.00 0.00 0.00 1.58 -1.44 0.00 0.00 177.06 177.20 1p89 n HIS 219 N -2.39 0.00 -1.55 1.08 -0.00 -1.26 -4.50 115.22 106.60 1p89 n HIS 219 Ca 0.00 -0.94 -0.19 0.00 -0.00 0.00 0.00 57.72 56.59 1p89 n HIS 219 Cb 0.00 -1.03 -0.08 0.00 -0.00 0.00 0.00 29.99 28.88 1p89 n HIS 219 CO 0.00 0.00 0.00 0.66 -0.00 0.00 0.00 176.34 177.00 1p89 n TYR 220 N 2.43 -0.08 -0.01 1.57 4.01 -1.26 -4.74 117.16 119.07 1p89 n TYR 220 Ca 0.22 0.00 0.03 0.00 -0.16 0.00 0.00 57.90 57.99 1p89 n TYR 220 Cb 0.56 -3.27 -0.07 0.00 -0.31 0.00 0.00 39.34 36.25 1p89 n TYR 220 CO 0.00 0.00 0.00 1.04 -0.46 0.00 0.00 176.86 177.44 1p89 n GLN 221 N -2.21 0.82 -3.78 -0.72 6.02 -1.26 -4.80 117.38 111.46 1p89 n GLN 221 Ca -0.19 -0.06 -0.13 0.00 -0.01 0.00 0.00 57.00 56.61 1p89 n GLN 221 Cb 0.63 -1.22 -0.11 0.00 1.02 0.00 0.00 30.24 30.57 1p89 n GLN 221 CO 0.00 0.00 0.00 -0.65 -1.01 0.00 0.00 177.06 175.40 1p89 s GLN 222 N -2.53 0.39 -0.50 -1.09 -0.21 -1.26 0.24 119.66 114.70 1p89 s GLN 222 Ca -0.04 0.29 -0.03 0.00 0.02 0.00 0.00 55.36 55.60 1p89 s GLN 222 Cb 0.05 0.19 0.13 0.00 1.00 0.00 0.00 33.01 34.38 1p89 s GLN 222 CO 0.37 -0.06 0.31 -0.06 -2.12 0.00 0.00 175.29 173.73 1p89 s PHE 223 N -0.12 3.50 -0.45 0.91 0.40 1.08 -1.85 117.98 121.45 1p89 s PHE 223 Ca -0.03 -2.52 -0.29 0.00 -0.60 0.00 0.00 56.93 53.49 1p89 s PHE 223 Cb -0.03 -3.23 0.03 0.00 0.51 0.00 0.00 43.02 40.30 1p89 s PHE 223 CO 0.01 -0.92 1.12 0.08 0.70 0.00 0.00 175.22 176.21 1p89 s VAL 224 N 0.63 4.27 -0.45 -0.44 1.01 0.25 -1.89 120.40 123.78 1p89 s VAL 224 Ca 0.12 1.27 -0.17 0.00 0.00 0.00 0.00 61.98 63.19 1p89 s VAL 224 Cb -0.22 -4.57 0.04 0.00 0.00 0.00 0.00 36.38 31.64 1p89 s VAL 224 CO -0.04 -0.93 0.47 0.68 0.00 0.00 0.00 175.10 175.29 1p89 s VAL 225 N 4.30 5.07 -0.53 2.92 -7.23 0.32 0.15 120.40 125.40 1p89 s VAL 225 Ca 0.47 -0.57 -0.27 0.00 -1.81 0.00 0.00 61.98 59.80 1p89 s VAL 225 Cb -0.08 -4.12 -0.09 0.00 0.56 0.00 0.00 36.38 32.65 1p89 s VAL 225 CO 0.29 -0.56 2.43 0.29 -0.31 0.00 0.00 175.10 177.25 1p89 n LYS 226 N 5.64 0.98 -1.23 4.82 4.01 -1.26 -1.61 118.16 129.51 1p89 n LYS 226 Ca -0.08 0.04 -0.35 0.00 -0.51 0.00 0.00 58.31 57.40 1p89 n LYS 226 Cb 0.46 -3.19 0.10 0.00 -0.51 0.00 0.00 35.03 31.89 1p89 n LYS 226 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 1p89 n GLY 227 N 6.07 -0.73 1.01 0.72 0.00 -1.24 -3.54 105.19 107.47 1p89 n GLY 227 Ca 0.40 -0.42 0.00 0.00 0.00 0.00 0.00 46.02 46.00 1p89 n GLY 227 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1p89 n GLY 228 N 1.13 0.76 3.84 -0.02 0.00 0.14 -4.66 105.19 106.38 1p89 n GLY 228 Ca 0.12 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.84 1p89 n GLY 228 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1p89 s GLN 229 N -0.52 0.29 -0.30 1.61 -1.52 0.41 -4.93 119.66 114.71 1p89 s GLN 229 Ca 0.00 -0.25 -0.13 0.00 -1.95 0.00 0.00 55.36 53.02 1p89 s GLN 229 Cb 0.00 -1.79 0.18 0.00 -0.22 0.00 0.00 33.01 31.18 1p89 s GLN 229 CO 0.00 -2.67 1.09 -1.12 -0.25 0.00 0.00 175.29 172.34 1p89 s SER 230 N -4.57 -0.33 0.69 5.90 0.01 -1.26 -4.14 113.70 109.99 1p89 s SER 230 Ca 0.72 0.12 -0.17 0.00 1.31 0.00 0.00 55.95 57.93 1p89 s SER 230 Cb -0.06 1.24 -0.03 0.00 0.21 0.00 0.00 66.02 67.38 1p89 s SER 230 CO 0.54 -0.06 0.76 -1.22 0.41 0.00 0.00 173.24 173.67 1p89 n TYR 231 N 5.29 0.03 -5.00 2.43 4.01 -1.26 -4.71 117.16 117.95 1p89 n TYR 231 Ca 0.01 0.39 -0.29 0.00 -0.16 0.00 0.00 57.90 57.84 1p89 n TYR 231 Cb 0.56 -2.02 -0.15 0.00 -0.31 0.00 0.00 39.34 37.42 1p89 n TYR 231 CO 0.00 0.00 0.00 1.14 -0.46 0.00 0.00 176.86 177.54 1p89 s GLN 232 N -2.92 1.80 -0.72 -0.72 -2.07 -1.08 -0.29 119.66 113.65 1p89 s GLN 232 Ca 0.71 -0.97 -0.28 0.00 -1.82 0.00 0.00 55.36 52.99 1p89 s GLN 232 Cb -0.37 -1.86 -0.14 0.00 -1.09 0.00 0.00 33.01 29.55 1p89 s GLN 232 CO 0.53 0.49 2.53 0.45 -1.32 0.00 0.00 175.29 177.98 1p89 n SER 233 N 2.10 1.39 0.18 12.60 2.88 -1.11 -4.45 113.62 127.21 1p89 n SER 233 Ca -0.16 -0.24 0.03 0.00 -1.33 0.00 0.00 58.87 57.16 1p89 n SER 233 Cb 0.52 -1.29 0.35 0.00 -0.75 0.00 0.00 64.21 63.04 1p89 n SER 233 CO 0.00 0.00 0.00 -0.65 -1.23 0.00 0.00 175.04 173.16 1p89 h PRO 234 N 16.15 0.00 0.00 -1.46 0.11 -1.84 -3.49 132.00 141.46 1p89 h PRO 234 Ca -0.15 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.96 1p89 h PRO 234 Cb 1.28 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.39 1p89 h PRO 234 CO 1.26 0.40 0.00 0.41 -0.21 0.00 0.00 178.00 179.86 1p89 n GLY 235 N -0.25 0.29 3.58 -0.55 0.00 -1.26 -4.95 105.19 102.03 1p89 n GLY 235 Ca -0.02 -1.30 -0.41 0.00 0.00 0.00 0.00 46.02 44.29 1p89 n GLY 235 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1p89 s THR 236 N 0.00 4.97 -0.04 2.61 2.01 -1.26 0.80 115.64 124.73 1p89 s THR 236 Ca 0.00 0.59 0.04 0.00 0.31 0.00 0.00 61.69 62.63 1p89 s THR 236 Cb 0.00 -3.98 -0.03 0.00 0.01 0.00 0.00 72.50 68.50 1p89 s THR 236 CO 0.00 -0.19 -0.13 -0.47 -0.69 0.00 0.00 174.62 173.14 1p89 s TYR 237 N 2.52 2.74 -0.44 4.92 5.04 0.38 -4.92 117.35 127.59 1p89 s TYR 237 Ca 0.22 -0.13 -0.15 0.00 -2.44 0.00 0.00 57.07 54.57 1p89 s TYR 237 Cb -0.15 -1.62 0.04 0.00 0.35 0.00 0.00 41.96 40.58 1p89 s TYR 237 CO 0.13 0.23 0.35 -1.17 -1.34 0.00 0.00 175.55 173.75 1p89 s LEU 238 N -0.89 5.29 0.25 6.97 1.98 -1.26 0.56 118.68 131.58 1p89 s LEU 238 Ca 0.13 -1.05 -0.04 0.00 -2.89 0.00 0.00 54.13 50.28 1p89 s LEU 238 Cb -0.11 -2.19 0.48 0.00 0.66 0.00 0.00 46.19 45.04 1p89 s LEU 238 CO 0.02 -0.54 1.72 0.58 -1.89 0.00 0.00 176.35 176.23 1p89 h VAL 239 N 5.69 0.61 0.00 1.68 2.07 -0.76 -3.47 116.25 122.07 1p89 h VAL 239 Ca -0.28 -0.14 0.00 0.00 0.82 0.00 0.00 66.70 67.11 1p89 h VAL 239 Cb 1.12 0.17 0.00 0.00 -1.52 0.00 0.00 31.29 31.06 1p89 h VAL 239 CO 0.80 0.07 0.00 -1.84 0.02 0.00 0.00 177.57 176.62