#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 0.10 4.04 7.08 -1.91 -3.11 115.58 121.78 1p89 h ASN 26 Ca 0.00 0.00 -0.00 0.00 -3.08 0.00 0.00 56.30 53.22 1p89 h ASN 26 Cb 0.00 0.00 0.00 0.00 -2.08 0.00 0.00 38.32 36.24 1p89 h ASN 26 CO 0.00 0.19 -0.05 0.03 -2.08 0.00 0.00 177.43 175.53 1p89 h ARG 27 N 0.00 -0.13 -0.57 4.14 3.08 -1.99 -0.38 114.38 118.54 1p89 h ARG 27 Ca -0.00 0.01 -0.08 0.00 0.07 0.00 0.00 59.98 59.97 1p89 h ARG 27 Cb 0.97 0.03 -0.02 0.00 0.08 0.00 0.00 29.97 31.03 1p89 h ARG 27 CO 0.03 0.01 0.03 0.00 -1.07 0.00 0.00 179.97 178.96 1p89 h ALA 28 N 0.66 0.76 0.05 0.04 0.00 -1.97 0.16 119.26 118.96 1p89 h ALA 28 Ca -0.01 -0.28 -0.00 0.00 0.00 0.00 0.00 54.91 54.61 1p89 h ALA 28 Cb 0.19 -0.21 -0.00 0.00 0.00 0.00 0.00 17.79 17.77 1p89 h ALA 28 CO 0.02 0.56 -0.03 -0.07 0.00 0.00 0.00 179.25 179.73 1p89 h LEU 29 N 0.87 -0.08 -0.17 0.00 3.38 -1.45 0.19 115.31 118.05 1p89 h LEU 29 Ca 0.16 0.01 -0.06 0.00 0.09 0.00 0.00 57.88 58.08 1p89 h LEU 29 Cb 0.50 0.02 -0.00 0.00 0.09 0.00 0.00 40.66 41.27 1p89 h LEU 29 CO 0.02 -0.05 -0.12 0.25 0.09 0.00 0.00 178.44 178.63 1p89 h LEU 30 N -0.08 0.39 -2.02 1.67 5.85 -1.02 -2.08 115.31 118.02 1p89 h LEU 30 Ca -0.00 -0.45 -0.01 0.00 0.84 0.00 0.00 57.88 58.26 1p89 h LEU 30 Cb 0.07 -0.11 -0.00 0.00 0.37 0.00 0.00 40.66 40.99 1p89 h LEU 30 CO 0.00 0.76 -0.04 -0.07 -0.34 0.00 0.00 178.44 178.75 1p89 h LEU 31 N 0.03 0.00 -0.31 2.25 3.38 -0.60 -0.50 115.31 119.57 1p89 h LEU 31 Ca 0.03 0.00 -0.16 0.00 0.09 0.00 0.00 57.88 57.85 1p89 h LEU 31 Cb 0.63 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.36 1p89 h LEU 31 CO 0.03 0.04 -0.75 0.00 0.09 0.00 0.00 178.44 177.86 1p89 h ALA 32 N 1.96 0.64 -0.05 1.53 0.00 -0.45 -3.00 119.26 119.89 1p89 h ALA 32 Ca -0.00 -0.68 -0.10 0.00 0.00 0.00 0.00 54.91 54.14 1p89 h ALA 32 Cb 0.08 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.74 1p89 h ALA 32 CO 0.01 0.93 -0.41 0.00 0.00 0.00 0.00 179.25 179.78 1p89 h ALA 33 N 1.25 1.22 0.00 0.00 0.00 -0.37 -2.68 119.26 118.69 1p89 h ALA 33 Ca -0.01 -0.39 0.00 0.00 0.00 0.00 0.00 54.91 54.51 1p89 h ALA 33 Cb 1.43 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 19.14 1p89 h ALA 33 CO 0.10 0.55 -0.57 1.28 0.00 0.00 0.00 179.25 180.61 1p89 n LEU 34 N -4.04 0.55 -4.89 0.00 4.77 -1.08 0.15 117.00 112.48 1p89 n LEU 34 Ca -0.02 0.06 -0.29 0.00 -0.03 0.00 0.00 56.01 55.73 1p89 n LEU 34 Cb 0.46 -0.22 0.07 0.00 -2.33 0.00 0.00 43.42 41.40 1p89 n LEU 34 CO 0.40 0.07 0.77 0.00 -1.33 0.00 0.00 177.39 177.31 1p89 s ALA 35 N -3.06 2.73 -0.56 -1.18 0.00 -1.02 -3.18 121.76 115.49 1p89 s ALA 35 Ca 0.09 -0.52 -0.14 0.00 0.00 0.00 0.00 51.96 51.39 1p89 s ALA 35 Cb 0.16 -2.99 0.14 0.00 0.00 0.00 0.00 23.12 20.43 1p89 s ALA 35 CO 0.71 -1.48 0.50 -1.01 0.00 0.00 0.00 175.76 174.48 1p89 s HIS 36 N -3.48 3.33 0.00 0.00 3.76 0.13 0.04 115.29 119.07 1p89 s HIS 36 Ca 0.60 -1.48 0.00 0.00 -0.15 0.00 0.00 55.06 54.04 1p89 s HIS 36 Cb -0.11 -3.74 0.00 0.00 1.11 0.00 0.00 32.58 29.83 1p89 s HIS 36 CO 0.50 -1.01 0.00 0.41 -0.85 0.00 0.00 174.74 173.79 1p89 n GLY 37 N 5.05 3.14 3.71 -2.22 0.00 -1.21 -1.99 105.19 111.67 1p89 n GLY 37 Ca -0.10 -1.59 -0.42 0.00 0.00 0.00 0.00 46.02 43.91 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 -4.78 4.21 0.25 1.61 2.20 -1.24 -2.34 119.74 119.65 1p89 s LYS 38 Ca 0.00 2.36 0.09 0.00 -0.36 0.00 0.00 55.97 58.07 1p89 s LYS 38 Cb 0.00 -3.27 -0.05 0.00 -1.51 0.00 0.00 37.83 33.00 1p89 s LYS 38 CO 0.00 -0.64 -0.15 0.99 -0.36 0.00 0.00 175.35 175.18 1p89 s THR 39 N 1.54 2.03 -0.05 3.43 2.01 0.14 -4.72 115.64 120.02 1p89 s THR 39 Ca 0.71 -2.27 0.02 0.00 0.31 0.00 0.00 61.69 60.45 1p89 s THR 39 Cb -0.43 -2.23 -0.03 0.00 0.01 0.00 0.00 72.50 69.82 1p89 s THR 39 CO 0.32 -0.46 -0.08 -0.69 -0.69 0.00 0.00 174.62 173.02 1p89 s VAL 40 N -2.78 3.61 -0.20 3.82 1.01 0.15 -0.13 120.40 125.88 1p89 s VAL 40 Ca 0.27 -0.56 -0.01 0.00 0.00 0.00 0.00 61.98 61.68 1p89 s VAL 40 Cb -0.02 -2.49 0.06 0.00 0.00 0.00 0.00 36.38 33.93 1p89 s VAL 40 CO 0.11 0.56 -0.02 -1.48 0.00 0.00 0.00 175.10 174.27 1p89 s LEU 41 N -0.91 1.89 0.54 3.92 2.34 0.49 0.11 118.68 127.06 1p89 s LEU 41 Ca 0.13 -0.94 0.04 0.00 0.06 0.00 0.00 54.13 53.43 1p89 s LEU 41 Cb -0.11 -0.92 0.05 0.00 -0.56 0.00 0.00 46.19 44.64 1p89 s LEU 41 CO 0.02 -0.25 0.74 0.28 -1.06 0.00 0.00 176.35 176.09 1p89 s THR 42 N 1.60 2.63 -1.30 5.48 -1.32 0.62 -1.02 115.64 122.34 1p89 s THR 42 Ca -0.03 -0.80 0.00 0.00 -1.21 0.00 0.00 61.69 59.65 1p89 s THR 42 Cb -0.17 -2.83 0.00 0.00 -1.51 0.00 0.00 72.50 67.99 1p89 s THR 42 CO -0.07 0.00 0.00 -3.20 -2.21 0.00 0.00 174.62 169.14 1p89 n ASN 43 N -2.24 -4.71 -4.54 8.08 4.05 0.47 0.11 115.26 116.48 1p89 n ASN 43 Ca 0.10 0.30 -0.30 0.00 0.45 0.00 0.00 54.58 55.13 1p89 n ASN 43 Cb 0.60 -3.29 0.20 0.00 1.23 0.00 0.00 39.78 38.52 1p89 n ASN 43 CO 0.00 0.00 0.00 -0.11 -3.05 0.00 0.00 177.26 174.10 1p89 n LEU 44 N -1.39 0.63 -4.50 1.20 7.94 0.18 -3.98 117.00 117.08 1p89 n LEU 44 Ca -0.12 0.13 -0.42 0.00 -1.11 0.00 0.00 56.01 54.49 1p89 n LEU 44 Cb 0.44 -1.33 -0.10 0.00 0.53 0.00 0.00 43.42 42.96 1p89 n LEU 44 CO 0.19 -2.83 -0.06 -0.22 -1.11 0.00 0.00 177.39 173.35 1p89 s LEU 45 N -6.02 4.78 -0.87 -1.96 2.96 -1.26 -4.44 118.68 111.87 1p89 s LEU 45 Ca 0.66 -0.62 -0.18 0.00 -0.22 0.00 0.00 54.13 53.77 1p89 s LEU 45 Cb -0.23 -2.19 -0.12 0.00 0.50 0.00 0.00 46.19 44.15 1p89 s LEU 45 CO 0.62 -0.37 2.00 -0.90 -1.32 0.00 0.00 176.35 176.39 1p89 n ASP 46 N 5.21 3.14 -0.54 3.68 5.75 -1.21 -4.60 116.55 127.97 1p89 n ASP 46 Ca -0.11 -2.63 0.00 0.00 -0.01 0.00 0.00 54.79 52.04 1p89 n ASP 46 Cb 0.48 -1.17 0.00 0.00 -1.03 0.00 0.00 41.12 39.41 1p89 n ASP 46 CO 0.00 0.00 0.00 -0.24 -0.11 0.00 0.00 177.20 176.85 1p89 n SER 47 N 6.72 1.05 -0.02 -1.12 2.88 -1.26 -5.06 113.62 116.81 1p89 n SER 47 Ca 0.49 -0.35 0.05 0.00 -1.33 0.00 0.00 58.87 57.73 1p89 n SER 47 Cb 0.35 0.00 -0.15 0.00 -0.75 0.00 0.00 64.21 63.66 1p89 n SER 47 CO 0.00 0.00 0.00 -0.67 -1.23 0.00 0.00 175.04 173.14 1p89 n ASP 48 N -0.69 0.12 0.22 -3.46 -0.08 -1.26 -3.39 116.55 108.00 1p89 n ASP 48 Ca 0.00 0.05 0.08 0.00 -1.51 0.00 0.00 54.79 53.41 1p89 n ASP 48 Cb 0.00 1.51 0.48 0.00 2.34 0.00 0.00 41.12 45.45 1p89 n ASP 48 CO 0.00 0.00 0.00 -2.24 0.12 0.00 0.00 177.20 175.08 1p89 h ASP 49 N 0.00 0.00 0.00 1.67 3.04 -1.90 -2.03 116.42 117.20 1p89 h ASP 49 Ca -0.15 0.00 -0.06 0.00 -3.24 0.00 0.00 57.03 53.58 1p89 h ASP 49 Cb 1.35 0.00 -0.01 0.00 -1.04 0.00 0.00 39.33 39.63 1p89 h ASP 49 CO 0.01 0.27 -0.62 0.58 -2.04 0.00 0.00 179.24 177.45 1p89 h VAL 50 N 0.00 0.37 -0.32 4.15 2.07 -1.82 -3.06 116.25 117.65 1p89 h VAL 50 Ca -0.00 -1.41 0.09 0.00 0.82 0.00 0.00 66.70 66.20 1p89 h VAL 50 Cb 0.66 0.83 -0.01 0.00 -1.52 0.00 0.00 31.29 31.25 1p89 h VAL 50 CO 0.04 0.12 0.43 0.08 0.02 0.00 0.00 177.57 178.26 1p89 h ARG 51 N -1.00 0.00 -0.02 1.57 0.11 -1.62 1.43 114.38 114.86 1p89 h ARG 51 Ca -0.10 0.00 -0.24 0.00 0.10 0.00 0.00 59.98 59.74 1p89 h ARG 51 Cb 0.69 0.00 0.01 0.00 1.11 0.00 0.00 29.97 31.78 1p89 h ARG 51 CO -0.06 0.00 -0.96 0.45 0.10 0.00 0.00 179.97 179.50 1p89 h HIS 52 N 0.00 0.86 0.47 4.08 3.86 -1.50 1.24 115.15 124.15 1p89 h HIS 52 Ca 0.15 -0.45 -0.02 0.00 -1.16 0.00 0.00 60.37 58.89 1p89 h HIS 52 Cb 1.01 -0.10 0.00 0.00 1.06 0.00 0.00 27.41 29.38 1p89 h HIS 52 CO 0.00 1.28 -0.22 1.98 0.86 0.00 0.00 177.93 181.82 1p89 h MET 53 N 0.34 -0.61 -0.23 2.45 1.85 0.19 -0.70 114.93 118.23 1p89 h MET 53 Ca -0.10 0.04 0.01 0.00 -0.61 0.00 0.00 59.70 59.04 1p89 h MET 53 Cb 1.60 0.14 -0.02 0.00 0.43 0.00 0.00 31.60 33.75 1p89 h MET 53 CO 0.18 -0.40 0.13 -0.07 -0.40 0.00 0.00 176.91 176.35 1p89 h LEU 54 N -0.64 0.21 -1.93 3.39 4.07 -0.78 -1.56 115.31 118.07 1p89 h LEU 54 Ca -0.06 0.00 0.33 0.00 0.08 0.00 0.00 57.88 58.23 1p89 h LEU 54 Cb 0.49 -0.04 -0.05 0.00 1.08 0.00 0.00 40.66 42.14 1p89 h LEU 54 CO 0.11 0.15 0.81 0.78 -1.08 0.00 0.00 178.44 179.21 1p89 h ASN 55 N 0.27 0.05 0.07 -0.43 4.21 0.19 0.11 115.58 120.05 1p89 h ASN 55 Ca 0.09 0.01 -0.00 0.00 1.21 0.00 0.00 56.30 57.61 1p89 h ASN 55 Cb 0.00 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.21 1p89 h ASN 55 CO -0.05 0.01 -0.04 0.00 -1.29 0.00 0.00 177.43 176.06 1p89 h ALA 56 N 1.45 -0.10 -0.08 -0.83 0.00 -0.08 -2.60 119.26 117.02 1p89 h ALA 56 Ca 0.55 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 55.24 1p89 h ALA 56 Cb 2.13 0.04 -0.00 0.00 0.00 0.00 0.00 17.79 19.95 1p89 h ALA 56 CO -0.04 -0.33 0.05 -0.07 0.00 0.00 0.00 179.25 178.87 1p89 h LEU 57 N -0.56 0.10 -1.92 0.00 4.07 -0.76 -1.55 115.31 114.68 1p89 h LEU 57 Ca -0.01 -0.01 0.18 0.00 0.08 0.00 0.00 57.88 58.12 1p89 h LEU 57 Cb 0.47 -0.02 -0.03 0.00 1.08 0.00 0.00 40.66 42.16 1p89 h LEU 57 CO 0.02 0.08 0.46 0.00 -1.08 0.00 0.00 178.44 177.91 1p89 h THR 58 N 0.11 0.70 0.09 0.22 1.03 -1.23 0.62 112.91 114.45 1p89 h THR 58 Ca 0.03 -0.03 -0.00 0.00 -0.01 0.00 0.00 66.41 66.40 1p89 h THR 58 Cb -0.01 0.62 0.00 0.00 -1.07 0.00 0.00 68.15 67.70 1p89 h THR 58 CO -0.01 0.01 -0.04 0.00 -0.01 0.00 0.00 175.52 175.47 1p89 h ALA 59 N 1.68 -0.12 0.00 0.00 0.00 -0.87 -1.78 119.26 118.17 1p89 h ALA 59 Ca 0.31 -0.03 -0.05 0.00 0.00 0.00 0.00 54.91 55.14 1p89 h ALA 59 Cb 1.14 0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.97 1p89 h ALA 59 CO -0.03 -0.56 -0.23 -0.07 0.00 0.00 0.00 179.25 178.37 1p89 h LEU 60 N -0.14 0.00 0.00 0.00 4.07 -0.91 -3.46 115.31 114.88 1p89 h LEU 60 Ca -0.01 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.95 1p89 h LEU 60 Cb 0.11 0.00 0.00 0.00 1.08 0.00 0.00 40.66 41.85 1p89 h LEU 60 CO 0.02 0.23 0.00 0.61 -1.08 0.00 0.00 178.44 178.22 1p89 n GLY 61 N -0.64 0.31 3.51 0.83 0.00 -0.32 -4.80 105.19 104.08 1p89 n GLY 61 Ca -0.02 0.00 -0.32 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 0.00 -4.02 1.61 0.31 0.03 -4.88 118.33 111.39 1p89 n VAL 62 Ca 0.00 -0.12 -0.31 0.00 -0.01 0.00 0.00 64.34 63.90 1p89 n VAL 62 Cb 0.00 -0.76 -0.15 0.00 -0.91 0.00 0.00 33.84 32.02 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 -2.24 4.24 0.19 4.52 0.01 -1.26 -4.16 113.70 114.99 1p89 s SER 63 Ca 0.61 -1.35 0.08 0.00 1.31 0.00 0.00 55.95 56.59 1p89 s SER 63 Cb -0.22 -1.41 -0.05 0.00 0.21 0.00 0.00 66.02 64.56 1p89 s SER 63 CO 0.64 -0.22 -0.15 -0.72 0.41 0.00 0.00 173.24 173.20 1p89 s TYR 64 N 1.21 1.70 -0.20 2.43 -0.85 -1.25 -0.22 117.35 120.17 1p89 s TYR 64 Ca -0.07 -0.56 -0.05 0.00 -0.52 0.00 0.00 57.07 55.87 1p89 s TYR 64 Cb -0.20 -0.80 0.10 0.00 0.38 0.00 0.00 41.96 41.44 1p89 s TYR 64 CO -0.06 0.34 0.37 0.99 -1.52 0.00 0.00 175.55 175.67 1p89 s THR 65 N -2.79 -0.58 0.84 -3.49 2.01 -0.49 -4.87 115.64 106.26 1p89 s THR 65 Ca 0.21 0.11 -0.08 0.00 0.31 0.00 0.00 61.69 62.24 1p89 s THR 65 Cb -0.02 -0.66 0.16 0.00 0.01 0.00 0.00 72.50 71.99 1p89 s THR 65 CO 0.06 0.02 1.15 -0.76 -0.69 0.00 0.00 174.62 174.40 1p89 s LEU 66 N 2.55 2.85 0.77 4.42 2.01 -1.26 0.32 118.68 130.34 1p89 s LEU 66 Ca 0.03 -0.08 -0.03 0.00 0.01 0.00 0.00 54.13 54.06 1p89 s LEU 66 Cb -0.13 -2.10 0.15 0.00 0.01 0.00 0.00 46.19 44.11 1p89 s LEU 66 CO -0.13 -2.29 1.06 -0.55 1.01 0.00 0.00 176.35 175.46 1p89 s SER 67 N -4.82 4.07 0.11 2.29 0.15 0.58 -4.85 113.70 111.24 1p89 s SER 67 Ca 0.70 -0.31 0.14 0.00 0.70 0.00 0.00 55.95 57.17 1p89 s SER 67 Cb -0.04 0.03 0.62 0.00 -1.71 0.00 0.00 66.02 64.92 1p89 s SER 67 CO 0.48 -2.06 1.42 0.00 1.20 0.00 0.00 173.24 174.28 1p89 n ALA 68 N -3.02 1.36 0.06 5.45 0.00 -1.26 -1.29 120.51 121.81 1p89 n ALA 68 Ca 0.16 0.04 0.01 0.00 0.00 0.00 0.00 53.44 53.65 1p89 n ALA 68 Cb 0.60 -1.21 0.01 0.00 0.00 0.00 0.00 19.45 18.85 1p89 n ALA 68 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 1p89 n ASP 69 N -1.80 1.30 -3.32 0.00 -0.08 -1.26 -5.00 116.55 106.40 1p89 n ASP 69 Ca 0.01 -1.21 -0.20 0.00 -1.51 0.00 0.00 54.79 51.88 1p89 n ASP 69 Cb 0.11 -0.01 0.08 0.00 2.34 0.00 0.00 41.12 43.64 1p89 n ASP 69 CO 0.00 0.00 0.00 0.54 0.12 0.00 0.00 177.20 177.86 1p89 n ARG 70 N 0.05 -6.97 0.00 -0.67 1.74 -0.42 -4.63 116.66 105.77 1p89 n ARG 70 Ca 0.01 0.77 0.00 0.00 -0.77 0.00 0.00 57.85 57.86 1p89 n ARG 70 Cb 0.08 -5.62 0.00 0.00 -1.02 0.00 0.00 32.46 25.90 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 -4.52 0.00 -3.56 0.55 -2.24 -1.26 -3.31 114.28 99.94 1p89 n THR 71 Ca -0.08 -0.40 -0.21 0.00 -2.27 0.00 0.00 64.05 61.09 1p89 n THR 71 Cb 0.59 1.16 -0.15 0.00 -2.10 0.00 0.00 70.33 69.83 1p89 n THR 71 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1p89 s ARG 72 N -0.18 0.12 0.20 -0.78 1.04 -1.25 0.18 118.95 118.28 1p89 s ARG 72 Ca 0.00 0.13 0.09 0.00 -1.04 0.00 0.00 55.73 54.91 1p89 s ARG 72 Cb 0.00 -1.34 -0.04 0.00 -2.04 0.00 0.00 34.95 31.53 1p89 s ARG 72 CO 0.00 -0.62 -0.05 0.00 -0.04 0.00 0.00 175.30 174.59 1p89 s GLU 74 N -3.08 1.72 -0.19 0.00 2.02 0.15 -0.38 118.70 118.94 1p89 s GLU 74 Ca 0.27 -1.72 -0.08 0.00 0.02 0.00 0.00 54.97 53.46 1p89 s GLU 74 Cb -0.08 -3.13 -0.04 0.00 0.10 0.00 0.00 34.13 30.97 1p89 s GLU 74 CO 0.17 -0.84 0.09 0.42 0.02 0.00 0.00 175.26 175.13 1p89 s ILE 75 N 0.97 5.01 -0.66 -1.63 1.09 0.82 -1.40 121.20 125.40 1p89 s ILE 75 Ca 0.05 0.05 -0.26 0.00 -1.10 0.00 0.00 60.65 59.39 1p89 s ILE 75 Cb -0.19 -3.28 0.04 0.00 -1.06 0.00 0.00 42.46 37.97 1p89 s ILE 75 CO -0.07 0.44 1.16 -0.63 -0.10 0.00 0.00 174.94 175.74 1p89 s ILE 76 N 0.46 3.98 -0.36 2.92 1.01 0.69 0.24 121.20 130.13 1p89 s ILE 76 Ca 0.05 0.39 -0.38 0.00 0.00 0.00 0.00 60.65 60.71 1p89 s ILE 76 Cb -0.12 -4.78 -0.14 0.00 0.01 0.00 0.00 42.46 37.43 1p89 s ILE 76 CO -0.00 -1.57 2.10 0.61 0.00 0.00 0.00 174.94 176.08 1p89 n GLY 77 N 5.26 0.45 0.26 6.18 0.00 -0.99 -4.51 105.19 111.84 1p89 n GLY 77 Ca 0.03 0.97 0.15 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 10.77 0.00 0.00 1.61 4.21 0.17 -3.21 115.58 129.13 1p89 h ASN 78 Ca -0.28 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.23 1p89 h ASN 78 Cb 1.34 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 38.54 1p89 h ASN 78 CO 1.02 0.00 0.00 0.61 -1.29 0.00 0.00 177.43 177.77 1p89 n GLY 79 N -1.21 3.09 0.00 2.83 0.00 0.11 -4.89 105.19 105.11 1p89 n GLY 79 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.00 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 -1.53 5.58 3.88 -0.02 0.00 -1.19 -4.64 105.19 107.26 1p89 n GLY 80 Ca 0.00 -1.03 -0.29 0.00 0.00 0.00 0.00 46.02 44.70 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 3.46 2.11 -0.83 1.61 0.02 -1.26 -3.52 135.00 136.58 1p89 s PRO 81 Ca 0.00 0.25 -0.25 0.00 0.02 0.00 0.00 61.00 61.02 1p89 s PRO 81 Cb 0.00 -1.95 -0.07 0.00 0.02 0.00 0.00 34.50 32.49 1p89 s PRO 81 CO 0.00 -1.52 2.10 -0.51 -0.33 0.00 0.00 177.00 176.74 1p89 s LEU 82 N -5.58 3.09 -0.27 -5.54 2.01 -1.25 -4.87 118.68 106.27 1p89 s LEU 82 Ca 0.61 -0.33 -0.26 0.00 0.01 0.00 0.00 54.13 54.17 1p89 s LEU 82 Cb -0.12 -2.55 0.00 0.00 0.01 0.00 0.00 46.19 43.53 1p89 s LEU 82 CO 0.51 -3.07 0.88 -1.00 1.01 0.00 0.00 176.35 174.68 1p89 s HIS 83 N 11.52 3.27 -0.22 0.29 3.76 -1.26 -4.39 115.29 128.26 1p89 s HIS 83 Ca 0.78 1.12 -0.03 0.00 -0.15 0.00 0.00 55.06 56.77 1p89 s HIS 83 Cb -0.09 -3.21 0.11 0.00 1.11 0.00 0.00 32.58 30.51 1p89 s HIS 83 CO 0.04 -0.50 0.32 0.00 -0.85 0.00 0.00 174.74 173.75 1p89 s ALA 84 N 3.03 -0.77 -0.70 -1.40 0.00 -1.26 -4.82 121.76 115.84 1p89 s ALA 84 Ca 0.37 0.68 -0.03 0.00 0.00 0.00 0.00 51.96 52.98 1p89 s ALA 84 Cb -0.15 -1.51 0.18 0.00 0.00 0.00 0.00 23.12 21.64 1p89 s ALA 84 CO 0.09 -1.21 0.54 -2.00 0.00 0.00 0.00 175.76 173.18 1p89 s GLU 85 N 2.46 2.80 0.00 0.00 2.12 -1.26 -1.29 118.70 123.52 1p89 s GLU 85 Ca 0.10 -2.72 0.00 0.00 0.36 0.00 0.00 54.97 52.71 1p89 s GLU 85 Cb -0.15 -3.82 0.00 0.00 0.26 0.00 0.00 34.13 30.41 1p89 s GLU 85 CO -0.14 -1.20 0.18 0.41 -0.54 0.00 0.00 175.26 173.96 1p89 n GLY 86 N 3.21 0.14 3.50 -1.50 0.00 -1.26 -4.95 105.19 104.33 1p89 n GLY 86 Ca 0.12 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.94 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 -2.20 -2.38 4.61 0.00 -0.91 -4.95 120.51 114.68 1p89 n ALA 87 Ca -0.02 -0.07 -0.39 0.00 0.00 0.00 0.00 53.44 52.96 1p89 n ALA 87 Cb 0.21 -3.33 -0.05 0.00 0.00 0.00 0.00 19.45 16.27 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 -6.23 4.46 -0.12 0.00 2.96 -0.13 -4.77 118.68 114.85 1p89 s LEU 88 Ca 0.18 1.38 0.01 0.00 -0.22 0.00 0.00 54.13 55.48 1p89 s LEU 88 Cb -0.04 -3.14 -0.01 0.00 0.50 0.00 0.00 46.19 43.50 1p89 s LEU 88 CO 0.78 0.07 -0.15 -0.70 -1.32 0.00 0.00 176.35 175.02 1p89 s GLU 89 N -0.23 3.31 0.15 1.98 2.12 -1.26 0.16 118.70 124.93 1p89 s GLU 89 Ca 0.36 -0.72 0.06 0.00 0.36 0.00 0.00 54.97 55.03 1p89 s GLU 89 Cb -0.20 -2.56 -0.04 0.00 0.26 0.00 0.00 34.13 31.59 1p89 s GLU 89 CO 0.22 0.22 0.05 -0.51 -0.54 0.00 0.00 175.26 174.69 1p89 s LEU 90 N 0.33 3.51 -0.30 2.70 1.43 0.37 -4.88 118.68 121.84 1p89 s LEU 90 Ca -0.12 -0.26 0.02 0.00 -1.03 0.00 0.00 54.13 52.74 1p89 s LEU 90 Cb -0.16 -2.16 0.07 0.00 0.03 0.00 0.00 46.19 43.97 1p89 s LEU 90 CO 0.06 0.10 -0.02 0.12 0.23 0.00 0.00 176.35 176.84 1p89 s PHE 91 N -1.65 3.43 -2.37 0.29 2.19 -1.25 -0.18 117.98 118.42 1p89 s PHE 91 Ca 0.28 -2.43 0.22 0.00 0.33 0.00 0.00 56.93 55.33 1p89 s PHE 91 Cb -0.10 -2.32 0.72 0.00 -1.31 0.00 0.00 43.02 40.01 1p89 s PHE 91 CO 0.20 -0.89 1.54 1.28 1.83 0.00 0.00 175.22 179.18 1p89 n LEU 92 N 4.43 1.95 0.00 6.12 7.99 0.53 -4.86 117.00 133.16 1p89 n LEU 92 Ca -0.08 -0.79 0.00 0.00 -0.01 0.00 0.00 56.01 55.13 1p89 n LEU 92 Cb 0.42 -0.10 0.00 0.00 -0.11 0.00 0.00 43.42 43.63 1p89 n LEU 92 CO 0.23 0.39 0.00 0.61 -1.51 0.00 0.00 177.39 177.11 1p89 n GLY 93 N 1.20 1.47 2.60 -0.72 0.00 -1.26 -1.96 105.19 106.53 1p89 n GLY 93 Ca 0.17 -0.31 -0.33 0.00 0.00 0.00 0.00 46.02 45.55 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 -1.61 7.01 0.00 1.61 2.85 -1.26 -2.95 115.26 120.91 1p89 n ASN 94 Ca 0.00 -3.39 0.00 0.00 -0.11 0.00 0.00 54.58 51.08 1p89 n ASN 94 Cb 0.00 -1.21 0.00 0.00 1.24 0.00 0.00 39.78 39.81 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 0.58 0.00 0.00 5.20 0.00 -0.83 -4.80 120.51 120.66 1p89 n ALA 95 Ca 0.52 -0.08 0.00 0.00 0.00 0.00 0.00 53.44 53.88 1p89 n ALA 95 Cb 0.41 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.86 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 2.12 3.04 0.04 0.00 0.00 -1.26 -4.71 105.19 104.41 1p89 n GLY 96 Ca 0.00 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.13 1p89 n GLY 96 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1p89 n THR 97 N -2.00 0.00 0.00 2.61 -1.04 -1.26 -4.24 114.28 108.35 1p89 n THR 97 Ca 0.00 -0.02 0.00 0.00 -2.04 0.00 0.00 64.05 61.99 1p89 n THR 97 Cb 0.00 0.76 0.00 0.00 -1.82 0.00 0.00 70.33 69.27 1p89 n THR 97 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1p89 n ALA 98 N -1.39 1.70 0.08 2.41 0.00 -1.26 -4.63 120.51 117.41 1p89 n ALA 98 Ca 0.05 0.00 -0.12 0.00 0.00 0.00 0.00 53.44 53.37 1p89 n ALA 98 Cb 0.34 0.00 -0.08 0.00 0.00 0.00 0.00 19.45 19.71 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 -0.26 0.21 0.00 -1.53 -1.89 -1.82 114.93 109.63 1p89 h MET 99 Ca 0.00 0.02 0.00 0.00 -3.44 0.00 0.00 59.70 56.28 1p89 h MET 99 Cb 0.00 0.06 -0.02 0.00 -0.55 0.00 0.00 31.60 31.09 1p89 h MET 99 CO 0.00 0.14 -0.20 0.00 0.14 0.00 0.00 176.91 177.00 1p89 h ARG 100 N -0.80 -0.41 -0.29 0.39 -0.00 -1.85 0.11 114.38 111.52 1p89 h ARG 100 Ca -0.03 0.03 0.01 0.00 -0.50 0.00 0.00 59.98 59.49 1p89 h ARG 100 Cb 0.52 0.09 -0.02 0.00 0.00 0.00 0.00 29.97 30.56 1p89 h ARG 100 CO 0.04 -0.28 0.17 -1.35 0.00 0.00 0.00 179.97 178.56 1p89 h PRO 101 N -0.43 0.34 -0.23 0.04 0.11 -1.67 -2.60 132.00 127.56 1p89 h PRO 101 Ca -0.00 -0.02 -0.08 0.00 0.11 0.00 0.00 66.00 66.00 1p89 h PRO 101 Cb 0.40 -0.08 -0.01 0.00 0.11 0.00 0.00 31.00 31.42 1p89 h PRO 101 CO -0.04 0.23 -0.22 1.25 -0.21 0.00 0.00 178.00 179.00 1p89 h LEU 102 N 0.35 0.42 -0.24 2.35 7.12 -1.25 -1.06 115.31 123.00 1p89 h LEU 102 Ca 0.12 -0.13 -0.01 0.00 0.13 0.00 0.00 57.88 57.99 1p89 h LEU 102 Cb -0.00 -0.11 -0.01 0.00 -0.53 0.00 0.00 40.66 40.00 1p89 h LEU 102 CO -0.05 0.65 0.13 0.00 -0.13 0.00 0.00 178.44 179.04 1p89 h ALA 103 N 1.39 0.31 -0.21 1.25 0.00 -0.51 -2.89 119.26 118.59 1p89 h ALA 103 Ca 0.06 -0.07 -0.17 0.00 0.00 0.00 0.00 54.91 54.73 1p89 h ALA 103 Cb 0.60 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.29 1p89 h ALA 103 CO 0.04 -0.16 -0.57 0.00 0.00 0.00 0.00 179.25 178.56 1p89 h ALA 104 N 1.01 0.61 -0.71 0.00 0.00 -1.32 -3.13 119.26 115.71 1p89 h ALA 104 Ca 0.08 -0.52 0.06 0.00 0.00 0.00 0.00 54.91 54.53 1p89 h ALA 104 Cb 0.07 -0.08 -0.05 0.00 0.00 0.00 0.00 17.79 17.73 1p89 h ALA 104 CO -0.01 0.69 0.42 0.00 0.00 0.00 0.00 179.25 180.35 1p89 h ALA 105 N 0.87 0.96 0.00 0.00 0.00 -1.08 -0.73 119.26 119.29 1p89 h ALA 105 Ca 0.01 0.00 -0.03 0.00 0.00 0.00 0.00 54.91 54.89 1p89 h ALA 105 Cb 1.14 -0.16 -0.00 0.00 0.00 0.00 0.00 17.79 18.76 1p89 h ALA 105 CO 0.11 0.12 -0.16 -0.07 0.00 0.00 0.00 179.25 179.25 1p89 h LEU 106 N 0.77 0.00 -0.32 0.00 3.38 -1.55 -2.92 115.31 114.67 1p89 h LEU 106 Ca 0.31 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.28 1p89 h LEU 106 Cb 0.16 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.91 1p89 h LEU 106 CO -0.17 0.16 0.02 0.00 0.09 0.00 0.00 178.44 178.55 1p89 s LEU 108 N -3.31 2.97 0.00 0.00 1.43 -1.10 0.56 118.68 119.23 1p89 s LEU 108 Ca -0.01 0.82 0.00 0.00 -1.03 0.00 0.00 54.13 53.91 1p89 s LEU 108 Cb 0.01 -3.57 0.00 0.00 0.03 0.00 0.00 46.19 42.66 1p89 s LEU 108 CO 0.04 -1.34 0.00 0.61 0.23 0.00 0.00 176.35 175.90 1p89 n GLY 109 N -2.86 1.94 3.15 -3.19 0.00 -1.26 -4.03 105.19 98.94 1p89 n GLY 109 Ca 0.06 0.41 0.04 0.00 0.00 0.00 0.00 46.02 46.53 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 -0.14 113.70 108.49 1p89 s SER 110 Ca 0.00 -0.03 0.01 0.00 1.31 0.00 0.00 55.95 57.24 1p89 s SER 110 Cb 0.00 1.87 0.00 0.00 0.21 0.00 0.00 66.02 68.10 1p89 s SER 110 CO 0.00 -0.24 -0.02 0.20 0.41 0.00 0.00 173.24 173.60 1p89 s ASN 111 N 2.63 0.27 -0.37 2.44 0.02 -1.24 -4.66 114.94 114.02 1p89 s ASN 111 Ca 0.14 -0.03 -0.11 0.00 -1.02 0.00 0.00 52.86 51.83 1p89 s ASN 111 Cb -0.07 -0.05 0.03 0.00 0.02 0.00 0.00 41.25 41.17 1p89 s ASN 111 CO -0.22 0.00 0.21 -1.81 0.02 0.00 0.00 177.10 175.31 1p89 s ASP 112 N 0.13 5.76 0.01 -1.22 1.11 -0.42 -1.59 116.67 120.45 1p89 s ASP 112 Ca -0.01 -0.97 0.02 0.00 0.18 0.00 0.00 52.55 51.77 1p89 s ASP 112 Cb -0.03 -2.03 -0.01 0.00 1.07 0.00 0.00 42.92 41.92 1p89 s ASP 112 CO -0.00 -0.38 -0.05 -0.63 1.18 0.00 0.00 175.17 175.28 1p89 s ILE 113 N 1.57 0.38 -0.26 0.77 -1.09 -0.70 -0.95 121.20 120.91 1p89 s ILE 113 Ca 0.02 -0.48 -0.01 0.00 -2.23 0.00 0.00 60.65 57.95 1p89 s ILE 113 Cb -0.19 -0.38 0.03 0.00 -1.58 0.00 0.00 42.46 40.34 1p89 s ILE 113 CO 0.07 -0.07 -0.05 -0.69 -1.23 0.00 0.00 174.94 172.97 1p89 s VAL 114 N -0.54 2.87 0.44 2.92 1.01 0.43 0.17 120.40 127.70 1p89 s VAL 114 Ca -0.03 -1.16 -0.16 0.00 0.00 0.00 0.00 61.98 60.64 1p89 s VAL 114 Cb -0.04 -2.52 -0.08 0.00 0.00 0.00 0.00 36.38 33.73 1p89 s VAL 114 CO -0.00 0.10 0.89 -0.76 0.00 0.00 0.00 175.10 175.32 1p89 s LEU 115 N 1.29 3.80 0.20 3.92 1.43 0.47 -0.48 118.68 129.32 1p89 s LEU 115 Ca -0.02 1.44 -0.22 0.00 -1.03 0.00 0.00 54.13 54.30 1p89 s LEU 115 Cb -0.18 -4.33 0.05 0.00 0.03 0.00 0.00 46.19 41.77 1p89 s LEU 115 CO -0.04 -0.44 0.65 0.28 0.23 0.00 0.00 176.35 177.04 1p89 s THR 116 N -2.38 0.00 0.00 5.49 -1.32 0.74 -2.71 115.64 115.46 1p89 s THR 116 Ca 0.57 -0.35 0.00 0.00 -1.21 0.00 0.00 61.69 60.69 1p89 s THR 116 Cb -0.10 -1.36 0.00 0.00 -1.51 0.00 0.00 72.50 69.53 1p89 s THR 116 CO 0.26 0.00 0.00 0.61 -2.21 0.00 0.00 174.62 173.28 1p89 n GLY 117 N -0.41 2.50 3.58 6.08 0.00 -1.26 -0.35 105.19 115.34 1p89 n GLY 117 Ca -0.12 -1.03 -0.29 0.00 0.00 0.00 0.00 46.02 44.58 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 -1.26 -0.65 0.58 1.61 0.41 -1.15 -4.75 118.70 113.50 1p89 s GLU 118 Ca 0.00 0.34 0.32 0.00 -0.41 0.00 0.00 54.97 55.22 1p89 s GLU 118 Cb 0.00 -1.63 1.81 0.00 -1.78 0.00 0.00 34.13 32.53 1p89 s GLU 118 CO 0.00 -3.41 2.21 -1.35 -0.49 0.00 0.00 175.26 172.21 1p89 h PRO 119 N -2.38 0.00 0.18 0.39 0.11 -2.01 -2.41 132.00 125.88 1p89 h PRO 119 Ca -0.52 0.00 -0.35 0.00 0.11 0.00 0.00 66.00 65.24 1p89 h PRO 119 Cb 1.32 0.00 0.01 0.00 0.11 0.00 0.00 31.00 32.44 1p89 h PRO 119 CO 0.47 0.04 -1.74 -0.09 -0.21 0.00 0.00 178.00 176.47 1p89 h ARG 120 N 0.00 0.38 -0.00 1.05 9.65 -1.93 -3.28 114.38 120.24 1p89 h ARG 120 Ca -0.00 -0.64 0.00 0.00 -1.10 0.00 0.00 59.98 58.24 1p89 h ARG 120 Cb 0.13 0.24 -0.00 0.00 -1.39 0.00 0.00 29.97 28.95 1p89 h ARG 120 CO 0.01 1.29 0.03 1.98 2.80 0.00 0.00 179.97 186.07 1p89 h MET 121 N 0.10 0.00 0.00 0.20 4.05 -1.67 -0.18 114.93 117.43 1p89 h MET 121 Ca -0.34 0.00 0.00 0.00 -0.28 0.00 0.00 59.70 59.08 1p89 h MET 121 Cb 2.09 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 32.89 1p89 h MET 121 CO 0.17 0.00 0.00 1.63 0.23 0.00 0.00 176.91 178.94 1p89 n LYS 122 N -3.09 0.13 -0.50 0.39 5.02 -1.06 -2.12 118.16 116.93 1p89 n LYS 122 Ca -0.03 0.20 0.07 0.00 -2.02 0.00 0.00 58.31 56.53 1p89 n LYS 122 Cb 0.10 -1.50 0.20 0.00 -0.02 0.00 0.00 35.03 33.80 1p89 n LYS 122 CO 0.00 0.00 0.00 -0.85 -0.52 0.00 0.00 177.40 176.03 1p89 n GLU 123 N -1.36 1.53 -3.60 1.97 0.28 -0.08 -4.67 120.64 114.71 1p89 n GLU 123 Ca 0.05 -3.18 -0.40 0.00 -0.16 0.00 0.00 57.16 53.48 1p89 n GLU 123 Cb 0.12 -1.60 -0.11 0.00 1.43 0.00 0.00 31.44 31.28 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 -3.17 3.12 0.32 3.44 1.81 -0.90 -5.07 118.95 118.50 1p89 s ARG 124 Ca 0.37 -0.88 -0.29 0.00 -1.72 0.00 0.00 55.73 53.21 1p89 s ARG 124 Cb 0.35 -3.69 -0.11 0.00 -0.45 0.00 0.00 34.95 31.05 1p89 s ARG 124 CO -0.05 -0.56 1.54 -2.14 -0.68 0.00 0.00 175.30 173.41 1p89 s PRO 125 N 1.61 4.13 -0.01 3.54 0.02 -1.22 -3.96 135.00 139.10 1p89 s PRO 125 Ca 0.04 2.56 0.20 0.00 0.02 0.00 0.00 61.00 63.81 1p89 s PRO 125 Cb -0.18 -3.01 0.33 0.00 0.02 0.00 0.00 34.50 31.66 1p89 s PRO 125 CO 0.07 -0.58 1.13 1.51 -0.33 0.00 0.00 177.00 178.80 1p89 n ILE 126 N 1.53 0.03 -0.05 2.83 3.06 -1.04 -4.90 119.36 120.81 1p89 n ILE 126 Ca 0.05 -0.81 -0.13 0.00 -2.50 0.00 0.00 62.75 59.36 1p89 n ILE 126 Cb 0.38 0.89 -0.12 0.00 0.54 0.00 0.00 39.64 41.33 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 0.80 -0.01 1.50 4.50 0.00 -1.91 -1.88 103.07 106.07 1p89 h GLY 127 Ca -0.31 0.00 0.07 0.00 0.00 0.00 0.00 47.33 47.09 1p89 h GLY 127 CO 0.01 -0.00 0.19 0.45 0.00 0.00 0.00 176.54 177.18 1p89 h HIS 128 N -0.86 0.00 0.03 5.60 3.86 -1.94 0.58 115.15 122.42 1p89 h HIS 128 Ca -0.00 0.00 -0.00 0.00 -1.16 0.00 0.00 60.37 59.21 1p89 h HIS 128 Cb 0.82 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.29 1p89 h HIS 128 CO 0.22 0.00 -0.01 1.25 0.86 0.00 0.00 177.93 180.24 1p89 h LEU 129 N 0.00 -0.03 -2.16 2.43 5.85 -1.89 -3.11 115.31 116.40 1p89 h LEU 129 Ca 0.11 0.00 0.06 0.00 0.84 0.00 0.00 57.88 58.89 1p89 h LEU 129 Cb 0.48 0.01 -0.01 0.00 0.37 0.00 0.00 40.66 41.51 1p89 h LEU 129 CO -0.00 0.27 0.28 0.58 -0.34 0.00 0.00 178.44 179.23 1p89 h VAL 130 N -0.62 0.35 -0.16 1.05 2.07 -1.14 -1.16 116.25 116.64 1p89 h VAL 130 Ca -0.00 0.00 -0.08 0.00 0.82 0.00 0.00 66.70 67.43 1p89 h VAL 130 Cb 0.03 0.76 -0.00 0.00 -1.52 0.00 0.00 31.29 30.56 1p89 h VAL 130 CO 0.01 0.00 -0.23 0.44 0.02 0.00 0.00 177.57 177.81 1p89 h ASP 131 N 0.00 0.48 0.24 0.57 3.32 0.07 -1.96 116.42 119.13 1p89 h ASP 131 Ca 0.10 -0.52 -0.01 0.00 0.02 0.00 0.00 57.03 56.63 1p89 h ASP 131 Cb 0.67 -0.14 0.00 0.00 0.22 0.00 0.00 39.33 40.09 1p89 h ASP 131 CO -0.00 0.90 -0.11 0.00 -1.72 0.00 0.00 179.24 178.31 1p89 h ALA 132 N 0.59 -0.32 -0.67 3.45 0.00 -1.15 -1.51 119.26 119.66 1p89 h ALA 132 Ca 0.02 -0.17 0.07 0.00 0.00 0.00 0.00 54.91 54.83 1p89 h ALA 132 Cb 0.79 0.12 -0.06 0.00 0.00 0.00 0.00 17.79 18.65 1p89 h ALA 132 CO 0.05 -0.53 0.35 -0.07 0.00 0.00 0.00 179.25 179.05 1p89 h LEU 133 N -0.61 0.49 -1.11 0.00 3.38 -1.57 -0.20 115.31 115.70 1p89 h LEU 133 Ca -0.03 0.04 0.06 0.00 0.09 0.00 0.00 57.88 58.04 1p89 h LEU 133 Cb 0.44 -0.05 -0.06 0.00 0.09 0.00 0.00 40.66 41.08 1p89 h LEU 133 CO 0.05 0.30 0.61 0.03 0.09 0.00 0.00 178.44 179.52 1p89 h ARG 134 N 0.63 1.05 -0.04 1.13 3.08 -1.27 0.27 114.38 119.22 1p89 h ARG 134 Ca 0.31 -0.06 -0.05 0.00 0.07 0.00 0.00 59.98 60.25 1p89 h ARG 134 Cb 0.26 -0.24 -0.01 0.00 0.08 0.00 0.00 29.97 30.06 1p89 h ARG 134 CO -0.22 0.70 -0.22 -0.07 -1.07 0.00 0.00 179.97 179.09 1p89 h LEU 135 N 1.09 0.07 -0.22 3.04 3.38 0.03 -1.90 115.31 120.79 1p89 h LEU 135 Ca 0.40 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.35 1p89 h LEU 135 Cb 0.16 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 40.89 1p89 h LEU 135 CO -0.15 0.29 0.00 1.23 0.09 0.00 0.00 178.44 179.91 1p89 h GLY 136 N 0.76 0.00 0.00 0.83 0.00 -0.20 -3.46 103.07 100.99 1p89 h GLY 136 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.34 1p89 h GLY 136 CO 0.03 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.18 1p89 n GLY 137 N 0.97 0.11 3.76 4.60 0.00 -0.71 -0.31 105.19 113.60 1p89 n GLY 137 Ca 0.04 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 -1.04 2.92 -0.63 4.61 0.00 -0.36 -3.33 121.76 123.93 1p89 s ALA 138 Ca 0.00 1.05 -0.00 0.00 0.00 0.00 0.00 51.96 53.01 1p89 s ALA 138 Cb 0.00 -3.44 0.16 0.00 0.00 0.00 0.00 23.12 19.84 1p89 s ALA 138 CO 0.00 -0.88 0.43 0.15 0.00 0.00 0.00 175.76 175.46 1p89 s LYS 139 N -2.78 2.48 0.50 0.00 -0.14 -0.32 -4.39 119.74 115.10 1p89 s LYS 139 Ca 0.66 -2.68 0.04 0.00 -1.36 0.00 0.00 55.97 52.63 1p89 s LYS 139 Cb -0.32 -3.63 -0.01 0.00 -1.68 0.00 0.00 37.83 32.20 1p89 s LYS 139 CO 0.38 -1.17 0.17 0.42 -0.76 0.00 0.00 175.35 174.39 1p89 s ILE 140 N -0.34 1.56 0.19 2.17 1.01 -1.26 0.11 121.20 124.64 1p89 s ILE 140 Ca 0.18 -1.78 -0.04 0.00 0.00 0.00 0.00 60.65 59.01 1p89 s ILE 140 Cb -0.20 -2.34 0.02 0.00 0.01 0.00 0.00 42.46 39.95 1p89 s ILE 140 CO -0.04 0.00 0.32 1.07 0.00 0.00 0.00 174.94 176.29 1p89 n THR 141 N -1.41 0.00 -3.90 2.92 5.66 -0.41 -4.90 114.28 112.23 1p89 n THR 141 Ca -0.10 -0.70 -0.30 0.00 -3.05 0.00 0.00 64.05 59.91 1p89 n THR 141 Cb 0.66 0.53 -0.15 0.00 -1.55 0.00 0.00 70.33 69.81 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 -4.79 2.36 -0.39 1.09 2.02 -1.26 -3.25 117.35 113.13 1p89 s TYR 142 Ca 0.11 -1.85 0.26 0.00 -0.37 0.00 0.00 57.07 55.22 1p89 s TYR 142 Cb -0.02 -1.74 0.68 0.00 -0.40 0.00 0.00 41.96 40.48 1p89 s TYR 142 CO 0.08 -0.80 1.72 -0.07 -1.57 0.00 0.00 175.55 174.91 1p89 h LEU 143 N 7.95 0.00 0.00 -1.29 -0.00 -1.85 -3.43 115.31 116.69 1p89 h LEU 143 Ca -0.15 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.73 1p89 h LEU 143 Cb 1.06 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.72 1p89 h LEU 143 CO 0.43 0.00 0.00 -0.62 -0.00 0.00 0.00 178.44 178.25 1p89 n GLU 144 N -2.88 0.00 -4.34 1.13 -0.58 -1.26 -5.06 120.64 107.65 1p89 n GLU 144 Ca 0.03 0.00 -0.26 0.00 -0.42 0.00 0.00 57.16 56.52 1p89 n GLU 144 Cb 0.45 0.00 -0.13 0.00 -0.57 0.00 0.00 31.44 31.19 1p89 n GLU 144 CO 0.00 0.00 0.00 -0.65 -0.48 0.00 0.00 177.13 176.00 1p89 s GLN 145 N -0.70 1.23 0.21 3.49 1.11 -1.26 -5.12 119.66 118.63 1p89 s GLN 145 Ca 0.00 -1.22 -0.30 0.00 0.01 0.00 0.00 55.36 53.85 1p89 s GLN 145 Cb 0.00 -1.57 -0.09 0.00 -1.01 0.00 0.00 33.01 30.34 1p89 s GLN 145 CO 0.00 0.37 1.30 -1.83 0.01 0.00 0.00 175.29 175.14 1p89 s GLU 146 N -1.93 4.40 -0.94 2.91 -1.05 -1.26 -3.34 118.70 117.49 1p89 s GLU 146 Ca 0.09 2.06 -0.02 0.00 -0.15 0.00 0.00 54.97 56.95 1p89 s GLU 146 Cb -0.10 -3.18 0.00 0.00 -0.44 0.00 0.00 34.13 30.41 1p89 s GLU 146 CO 0.05 -0.23 0.80 0.09 0.95 0.00 0.00 175.26 176.92 1p89 n ASN 147 N 2.41 -3.02 -3.51 0.83 4.13 -1.26 -4.92 115.26 109.92 1p89 n ASN 147 Ca 0.05 -0.45 -0.15 0.00 1.68 0.00 0.00 54.58 55.71 1p89 n ASN 147 Cb 0.43 -3.97 -0.07 0.00 -1.54 0.00 0.00 39.78 34.63 1p89 n ASN 147 CO 0.00 0.00 0.00 -0.31 0.28 0.00 0.00 177.26 177.23 1p89 s TYR 148 N -3.26 1.28 0.30 3.10 2.02 -1.21 -2.51 117.35 117.06 1p89 s TYR 148 Ca 0.13 -1.40 0.05 0.00 -0.37 0.00 0.00 57.07 55.49 1p89 s TYR 148 Cb -0.06 -0.37 0.70 0.00 -0.40 0.00 0.00 41.96 41.83 1p89 s TYR 148 CO 0.55 -0.95 1.79 -1.00 -1.57 0.00 0.00 175.55 174.38 1p89 h PRO 149 N 2.22 0.79 -5.70 -1.71 0.13 -1.75 -3.40 132.00 122.59 1p89 h PRO 149 Ca -0.28 -0.05 -0.47 0.00 -0.87 0.00 0.00 66.00 64.33 1p89 h PRO 149 Cb 1.24 -0.18 0.00 0.00 0.13 0.00 0.00 31.00 32.19 1p89 h PRO 149 CO 0.40 0.52 1.58 -1.25 -0.23 0.00 0.00 178.00 179.02 1p89 s PRO 150 N -5.87 2.22 -0.05 1.56 0.04 -1.24 -3.73 135.00 127.93 1p89 s PRO 150 Ca -0.11 1.29 -0.01 0.00 0.04 0.00 0.00 61.00 62.21 1p89 s PRO 150 Cb 0.24 -4.54 0.03 0.00 0.04 0.00 0.00 34.50 30.27 1p89 s PRO 150 CO 0.80 -3.15 0.01 -0.51 0.04 0.00 0.00 177.00 174.20 1p89 s LEU 151 N 11.53 0.74 -0.35 -3.56 1.43 -1.10 -2.45 118.68 124.93 1p89 s LEU 151 Ca 0.92 -0.04 -0.10 0.00 -1.03 0.00 0.00 54.13 53.89 1p89 s LEU 151 Cb -0.17 -0.31 0.02 0.00 0.03 0.00 0.00 46.19 45.76 1p89 s LEU 151 CO 0.25 -0.16 0.18 -0.60 0.23 0.00 0.00 176.35 176.25 1p89 s ARG 152 N 1.62 2.95 0.34 1.70 3.52 -1.20 0.18 118.95 128.06 1p89 s ARG 152 Ca -0.01 -0.98 0.01 0.00 -0.13 0.00 0.00 55.73 54.62 1p89 s ARG 152 Cb -0.13 -3.65 -0.03 0.00 -1.56 0.00 0.00 34.95 29.58 1p89 s ARG 152 CO -0.03 -0.61 0.53 -0.51 -0.81 0.00 0.00 175.30 173.87 1p89 s LEU 153 N 1.55 4.04 0.00 -0.88 1.43 0.44 -1.29 118.68 123.98 1p89 s LEU 153 Ca 0.02 0.40 0.08 0.00 -1.03 0.00 0.00 54.13 53.61 1p89 s LEU 153 Cb -0.19 -3.26 0.14 0.00 0.03 0.00 0.00 46.19 42.91 1p89 s LEU 153 CO 0.06 -0.28 0.96 0.00 0.23 0.00 0.00 176.35 177.32 1p89 n GLN 154 N -1.75 0.00 0.00 1.70 6.02 0.31 -1.72 117.38 121.93 1p89 n GLN 154 Ca -0.05 -1.13 0.00 0.00 -0.01 0.00 0.00 57.00 55.81 1p89 n GLN 154 Cb 0.56 0.01 0.00 0.00 1.02 0.00 0.00 30.24 31.83 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 0.16 -0.14 0.00 1.08 0.00 -0.87 -3.66 105.19 101.77 1p89 n GLY 155 Ca -0.05 -0.76 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 0.74 3.58 -0.02 0.00 0.80 -1.17 105.19 109.12 1p89 n GLY 156 Ca 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.61 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 1.19 -0.21 1.61 5.36 0.19 -3.84 117.98 120.29 1p89 s PHE 157 Ca 0.00 0.85 -0.09 0.00 -0.96 0.00 0.00 56.93 56.73 1p89 s PHE 157 Cb 0.00 -3.85 -0.10 0.00 -0.34 0.00 0.00 43.02 38.74 1p89 s PHE 157 CO 0.00 -3.53 -0.26 0.25 -1.46 0.00 0.00 175.22 170.23 1p89 n THR 158 N 7.80 1.15 -0.71 0.12 -2.24 -0.62 -4.25 114.28 115.52 1p89 n THR 158 Ca 0.31 -0.31 0.00 0.00 -2.27 0.00 0.00 64.05 61.78 1p89 n THR 158 Cb 0.48 -1.71 0.00 0.00 -2.10 0.00 0.00 70.33 67.01 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 1.80 0.69 0.00 3.38 0.00 0.57 0.10 105.19 111.73 1p89 n GLY 159 Ca -0.40 -1.76 0.00 0.00 0.00 0.00 0.00 46.02 43.86 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 2.29 3.70 -0.02 0.00 -0.22 -4.23 105.19 106.72 1p89 n GLY 160 Ca 0.00 -2.09 -0.42 0.00 0.00 0.00 0.00 46.02 43.51 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 6.53 0.11 1.61 -0.87 -1.26 -1.65 114.94 119.41 1p89 s ASN 161 Ca 0.00 2.61 0.03 0.00 -1.57 0.00 0.00 52.86 53.94 1p89 s ASN 161 Cb 0.00 -2.57 -0.04 0.00 -0.02 0.00 0.00 41.25 38.62 1p89 s ASN 161 CO 0.00 -0.92 -0.09 -0.69 -2.57 0.00 0.00 177.10 172.83 1p89 s VAL 162 N 2.34 0.92 -0.19 1.60 1.01 0.54 -4.87 120.40 121.76 1p89 s VAL 162 Ca 0.75 -1.81 0.01 0.00 0.00 0.00 0.00 61.98 60.93 1p89 s VAL 162 Cb -0.43 -1.55 0.04 0.00 0.00 0.00 0.00 36.38 34.44 1p89 s VAL 162 CO 0.33 -0.69 -0.11 -1.81 0.00 0.00 0.00 175.10 172.82 1p89 s ASP 163 N -2.77 3.20 0.13 3.32 1.11 -1.26 0.11 116.67 120.51 1p89 s ASP 163 Ca 0.10 -0.78 0.08 0.00 0.18 0.00 0.00 52.55 52.13 1p89 s ASP 163 Cb 0.01 -1.22 -0.04 0.00 1.07 0.00 0.00 42.92 42.73 1p89 s ASP 163 CO -0.01 -0.12 -0.14 0.54 1.18 0.00 0.00 175.17 176.62 1p89 s VAL 164 N 1.42 3.05 -0.14 -1.27 0.11 0.86 -4.57 120.40 119.86 1p89 s VAL 164 Ca 0.00 -1.48 -0.20 0.00 -2.93 0.00 0.00 61.98 57.38 1p89 s VAL 164 Cb -0.15 -2.43 -0.03 0.00 -1.53 0.00 0.00 36.38 32.23 1p89 s VAL 164 CO -0.09 0.06 0.58 -0.62 -3.33 0.00 0.00 175.10 171.70 1p89 s ASP 165 N -2.31 6.74 0.06 3.54 -1.08 -1.26 0.69 116.67 123.05 1p89 s ASP 165 Ca 0.20 0.89 -0.18 0.00 -0.52 0.00 0.00 52.55 52.94 1p89 s ASP 165 Cb -0.10 -2.33 -0.13 0.00 -1.46 0.00 0.00 42.92 38.90 1p89 s ASP 165 CO 0.12 -0.13 1.36 1.23 0.52 0.00 0.00 175.17 178.27 1p89 h GLY 166 N 7.31 0.54 -1.80 2.66 0.00 -1.75 -3.44 103.07 106.59 1p89 h GLY 166 Ca -0.37 -0.57 -0.50 0.00 0.00 0.00 0.00 47.33 45.89 1p89 h GLY 166 CO 0.76 0.52 -0.99 1.44 0.00 0.00 0.00 176.54 178.27 1p89 n SER 167 N -4.42 -2.50 -2.41 0.19 7.64 -0.90 -3.11 113.62 108.11 1p89 n SER 167 Ca -0.05 0.10 -0.08 0.00 1.01 0.00 0.00 58.87 59.84 1p89 n SER 167 Cb 0.42 -1.03 0.04 0.00 -1.01 0.00 0.00 64.21 62.63 1p89 n SER 167 CO 0.00 0.00 0.00 0.52 -3.01 0.00 0.00 175.04 172.55 1p89 n VAL 168 N -3.89 -4.74 -1.42 0.44 0.31 -1.26 -4.83 118.33 102.94 1p89 n VAL 168 Ca 0.03 -0.59 0.15 0.00 -0.01 0.00 0.00 64.34 63.93 1p89 n VAL 168 Cb 0.59 -4.58 -0.08 0.00 -0.91 0.00 0.00 33.84 28.86 1p89 n VAL 168 CO 0.00 0.00 0.00 -1.20 -1.32 0.00 0.00 176.83 174.31 1p89 n SER 169 N -2.34 -7.44 -0.13 4.52 7.64 -1.26 -4.47 113.62 110.14 1p89 n SER 169 Ca -0.08 1.42 0.15 0.00 1.01 0.00 0.00 58.87 61.37 1p89 n SER 169 Cb 0.57 -4.84 0.80 0.00 -1.01 0.00 0.00 64.21 59.74 1p89 n SER 169 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 1p89 n SER 170 N -4.16 0.40 0.24 6.43 3.41 -1.26 -3.90 113.62 114.78 1p89 n SER 170 Ca -0.08 -1.17 0.16 0.00 -0.26 0.00 0.00 58.87 57.51 1p89 n SER 170 Cb 0.63 -0.00 0.69 0.00 -0.26 0.00 0.00 64.21 65.27 1p89 n SER 170 CO 0.00 0.00 0.00 1.56 -0.16 0.00 0.00 175.04 176.44 1p89 h GLN 171 N 0.62 0.00 0.02 4.33 7.50 -1.89 0.89 115.11 126.58 1p89 h GLN 171 Ca 0.00 0.00 -0.00 0.00 0.50 0.00 0.00 58.65 59.15 1p89 h GLN 171 Cb 0.13 0.00 0.00 0.00 0.05 0.00 0.00 27.48 27.66 1p89 h GLN 171 CO 0.00 0.00 -0.01 0.74 -1.50 0.00 0.00 178.83 178.06 1p89 h PHE 172 N 0.00 -0.03 -0.07 2.96 -1.00 -1.82 -3.08 116.94 113.90 1p89 h PHE 172 Ca 0.08 -0.00 -0.24 0.00 2.81 0.00 0.00 57.97 60.62 1p89 h PHE 172 Cb 1.04 0.01 0.02 0.00 3.61 0.00 0.00 35.95 40.63 1p89 h PHE 172 CO 0.00 0.56 -0.87 1.25 -1.61 0.00 0.00 178.31 177.63 1p89 h LEU 173 N -0.98 0.89 -1.57 1.54 5.85 -1.41 -2.62 115.31 117.01 1p89 h LEU 173 Ca -0.00 -0.69 0.06 0.00 0.84 0.00 0.00 57.88 58.09 1p89 h LEU 173 Cb 0.60 -0.27 -0.03 0.00 0.37 0.00 0.00 40.66 41.32 1p89 h LEU 173 CO 0.00 1.45 0.37 0.00 -0.34 0.00 0.00 178.44 179.92 1p89 h THR 174 N 0.41 1.00 0.07 1.05 1.03 0.57 1.19 112.91 118.23 1p89 h THR 174 Ca -0.09 -0.18 -0.00 0.00 -0.01 0.00 0.00 66.41 66.13 1p89 h THR 174 Cb 1.52 0.42 0.00 0.00 -1.07 0.00 0.00 68.15 69.02 1p89 h THR 174 CO 0.18 0.10 -0.03 0.00 -0.01 0.00 0.00 175.52 175.75 1p89 h ALA 175 N 1.70 -0.09 -0.36 0.00 0.00 -1.48 -1.58 119.26 117.45 1p89 h ALA 175 Ca 0.24 -0.21 -0.11 0.00 0.00 0.00 0.00 54.91 54.83 1p89 h ALA 175 Cb 0.26 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.07 1p89 h ALA 175 CO -0.07 -0.34 -0.24 -0.07 0.00 0.00 0.00 179.25 178.54 1p89 h LEU 176 N -0.51 0.73 -1.54 0.00 3.38 -1.00 0.71 115.31 117.08 1p89 h LEU 176 Ca -0.01 -0.26 -0.04 0.00 0.09 0.00 0.00 57.88 57.66 1p89 h LEU 176 Cb 0.44 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.98 1p89 h LEU 176 CO 0.01 0.94 -0.18 -0.07 0.09 0.00 0.00 178.44 179.24 1p89 h LEU 177 N 0.63 0.00 0.00 1.67 3.38 0.14 1.21 115.31 122.35 1p89 h LEU 177 Ca 0.09 0.00 -0.31 0.00 0.09 0.00 0.00 57.88 57.75 1p89 h LEU 177 Cb 0.73 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 41.42 1p89 h LEU 177 CO 0.06 0.18 -2.25 1.15 0.09 0.00 0.00 178.44 177.67 1p89 n MET 178 N -3.54 0.68 -0.03 1.13 0.00 -0.60 -4.05 117.12 110.71 1p89 n MET 178 Ca -0.01 -0.00 -0.20 0.00 0.00 0.00 0.00 57.70 57.48 1p89 n MET 178 Cb 0.33 -1.55 -0.13 0.00 0.00 0.00 0.00 33.22 31.87 1p89 n MET 178 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 175.97 177.12 1p89 h THR 179 N 0.00 1.09 -0.69 3.17 2.02 0.59 -3.38 112.91 115.71 1p89 h THR 179 Ca -0.44 -2.33 -0.01 0.00 0.77 0.00 0.00 66.41 64.40 1p89 h THR 179 Cb 2.04 2.67 -0.03 0.00 -1.74 0.00 0.00 68.15 71.08 1p89 h THR 179 CO 0.03 0.59 0.40 0.00 0.37 0.00 0.00 175.52 176.91 1p89 h ALA 180 N -0.16 1.41 -0.85 6.16 0.00 0.13 -2.62 119.26 123.33 1p89 h ALA 180 Ca -0.28 -0.09 0.13 0.00 0.00 0.00 0.00 54.91 54.68 1p89 h ALA 180 Cb 1.53 -0.28 -0.06 0.00 0.00 0.00 0.00 17.79 18.98 1p89 h ALA 180 CO -0.02 0.50 0.55 -1.00 0.00 0.00 0.00 179.25 179.28 1p89 h PRO 181 N 0.95 0.65 -0.00 0.00 0.13 -1.70 0.29 132.00 132.32 1p89 h PRO 181 Ca 0.25 -0.04 0.00 0.00 -0.87 0.00 0.00 66.00 65.34 1p89 h PRO 181 Cb -0.01 -0.15 0.00 0.00 0.13 0.00 0.00 31.00 30.97 1p89 h PRO 181 CO -0.04 0.43 -0.17 1.28 -0.23 0.00 0.00 178.00 179.27 1p89 n LEU 182 N -4.54 0.44 -4.63 1.56 4.32 -1.00 0.12 117.00 113.26 1p89 n LEU 182 Ca 0.16 0.07 -0.43 0.00 -0.02 0.00 0.00 56.01 55.79 1p89 n LEU 182 Cb 0.45 -0.24 -0.03 0.00 -1.62 0.00 0.00 43.42 41.98 1p89 n LEU 182 CO 0.30 0.09 1.47 0.00 -1.22 0.00 0.00 177.39 178.03 1p89 s ALA 183 N -2.65 3.24 0.24 -1.18 0.00 0.10 -4.07 121.76 117.45 1p89 s ALA 183 Ca 0.23 0.64 0.18 0.00 0.00 0.00 0.00 51.96 53.01 1p89 s ALA 183 Cb 0.19 -3.88 0.83 0.00 0.00 0.00 0.00 23.12 20.26 1p89 s ALA 183 CO 0.52 -2.01 0.87 -2.30 0.00 0.00 0.00 175.76 172.84 1p89 n PRO 184 N 7.80 -0.02 -4.07 0.00 -0.02 -1.21 -0.18 135.00 137.30 1p89 n PRO 184 Ca 0.21 0.71 -0.28 0.00 -2.02 0.00 0.00 63.50 62.12 1p89 n PRO 184 Cb 0.45 -1.38 -0.06 0.00 -0.02 0.00 0.00 33.50 32.49 1p89 n PRO 184 CO 0.00 0.00 0.00 -1.21 1.98 0.00 0.00 175.50 176.27 1p89 s GLU 185 N -4.56 2.91 -0.06 -0.52 2.02 0.28 -3.62 118.70 115.15 1p89 s GLU 185 Ca -0.04 -0.80 -0.30 0.00 0.02 0.00 0.00 54.97 53.85 1p89 s GLU 185 Cb 0.17 -2.68 -0.06 0.00 0.10 0.00 0.00 34.13 31.66 1p89 s GLU 185 CO 0.46 0.51 1.83 0.34 0.02 0.00 0.00 175.26 178.42 1p89 s ASP 186 N -2.88 6.41 -0.15 -0.19 -1.08 -1.26 -3.72 116.67 113.81 1p89 s ASP 186 Ca 0.30 2.29 -0.06 0.00 -0.52 0.00 0.00 52.55 54.57 1p89 s ASP 186 Cb -0.11 -2.53 -0.04 0.00 -1.46 0.00 0.00 42.92 38.78 1p89 s ASP 186 CO 0.23 -1.13 0.05 -0.89 0.52 0.00 0.00 175.17 173.95 1p89 s THR 187 N 4.82 4.74 -0.33 1.71 2.01 -0.56 -1.05 115.64 126.97 1p89 s THR 187 Ca 0.82 -0.06 0.02 0.00 0.31 0.00 0.00 61.69 62.78 1p89 s THR 187 Cb -0.36 -3.09 0.10 0.00 0.01 0.00 0.00 72.50 69.16 1p89 s THR 187 CO 0.35 0.52 0.08 -0.69 -0.69 0.00 0.00 174.62 174.19 1p89 s VAL 188 N -0.13 1.65 0.11 3.82 1.01 -0.66 0.85 120.40 127.06 1p89 s VAL 188 Ca 0.07 -1.95 -0.15 0.00 0.00 0.00 0.00 61.98 59.95 1p89 s VAL 188 Cb -0.12 -2.23 -0.07 0.00 0.00 0.00 0.00 36.38 33.96 1p89 s VAL 188 CO 0.01 -0.64 0.52 -0.63 0.00 0.00 0.00 175.10 174.36 1p89 s ILE 189 N 1.18 4.88 0.43 2.22 1.01 -0.64 0.20 121.20 130.48 1p89 s ILE 189 Ca 0.11 0.86 0.07 0.00 0.00 0.00 0.00 60.65 61.68 1p89 s ILE 189 Cb -0.18 -3.75 -0.05 0.00 0.01 0.00 0.00 42.46 38.49 1p89 s ILE 189 CO -0.15 0.34 0.18 0.00 0.00 0.00 0.00 174.94 175.30 1p89 s ARG 190 N -1.71 2.21 -0.51 2.79 1.70 0.29 0.35 118.95 124.07 1p89 s ARG 190 Ca 0.34 -1.90 -0.04 0.00 -0.47 0.00 0.00 55.73 53.66 1p89 s ARG 190 Cb -0.16 -1.94 0.13 0.00 -0.57 0.00 0.00 34.95 32.41 1p89 s ARG 190 CO 0.18 -0.16 0.34 0.42 -1.08 0.00 0.00 175.30 175.00 1p89 s ILE 191 N -2.63 3.68 0.00 4.99 -1.09 0.69 -0.10 121.20 126.73 1p89 s ILE 191 Ca 0.38 -2.37 0.00 0.00 -2.23 0.00 0.00 60.65 56.43 1p89 s ILE 191 Cb 0.04 -3.44 0.00 0.00 -1.58 0.00 0.00 42.46 37.47 1p89 s ILE 191 CO 0.21 -0.79 0.43 0.29 -1.23 0.00 0.00 174.94 173.85 1p89 n LYS 192 N 4.21 0.00 -1.76 2.79 5.02 0.22 -4.83 118.16 123.81 1p89 n LYS 192 Ca 0.01 0.00 -0.29 0.00 -2.02 0.00 0.00 58.31 56.01 1p89 n LYS 192 Cb 0.40 -0.93 0.09 0.00 -0.02 0.00 0.00 35.03 34.58 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 -0.04 1.60 0.07 0.72 0.00 -1.26 -4.89 107.32 103.52 1p89 s GLY 193 Ca 0.00 -0.51 -0.30 0.00 0.00 0.00 0.00 44.72 43.91 1p89 s GLY 193 CO 0.00 -0.03 1.85 0.99 0.00 0.00 0.00 173.10 175.91 1p89 s ASP 194 N -4.32 6.47 0.46 1.64 1.01 -1.26 -3.09 116.67 117.59 1p89 s ASP 194 Ca 0.62 2.65 -0.24 0.00 0.71 0.00 0.00 52.55 56.28 1p89 s ASP 194 Cb -0.12 -2.55 -0.08 0.00 1.01 0.00 0.00 42.92 41.18 1p89 s ASP 194 CO 0.51 -1.01 1.34 -0.11 0.21 0.00 0.00 175.17 176.11 1p89 n LEU 195 N 6.56 4.73 -0.01 1.23 7.94 -1.26 -2.13 117.00 134.06 1p89 n LEU 195 Ca 0.18 1.07 0.09 0.00 -1.11 0.00 0.00 56.01 56.25 1p89 n LEU 195 Cb 0.40 -1.55 -0.13 0.00 0.53 0.00 0.00 43.42 42.66 1p89 n LEU 195 CO 0.66 -0.50 -0.63 0.55 -1.11 0.00 0.00 177.39 176.36 1p89 n VAL 196 N -0.43 0.00 -2.43 1.96 3.14 -1.18 -4.48 118.33 114.90 1p89 n VAL 196 Ca 0.07 -0.37 -0.19 0.00 -2.96 0.00 0.00 64.34 60.89 1p89 n VAL 196 Cb 0.42 0.20 0.02 0.00 -1.06 0.00 0.00 33.84 33.41 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 -2.04 3.71 -0.30 6.55 7.64 -1.26 -4.91 113.62 123.01 1p89 n SER 197 Ca -0.03 -3.30 -0.12 0.00 1.01 0.00 0.00 58.87 56.44 1p89 n SER 197 Cb 0.44 -0.44 -0.10 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 2.54 -0.14 0.00 1.43 3.64 -1.96 0.31 116.57 122.40 1p89 h LYS 198 Ca 0.18 0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.57 1p89 h LYS 198 Cb 1.20 0.03 0.00 0.00 -0.41 0.00 0.00 32.23 33.05 1p89 h LYS 198 CO 0.66 -0.09 0.00 -1.35 -2.27 0.00 0.00 179.45 176.40 1p89 h PRO 199 N -0.14 0.00 0.00 1.90 0.11 -1.98 -2.81 132.00 129.08 1p89 h PRO 199 Ca 0.12 0.00 -0.16 0.00 0.11 0.00 0.00 66.00 66.07 1p89 h PRO 199 Cb 0.46 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 31.54 1p89 h PRO 199 CO -0.78 0.00 -0.78 1.88 -0.21 0.00 0.00 178.00 178.12 1p89 h TYR 200 N 0.00 0.00 -0.19 0.65 -1.99 -0.90 -3.18 116.97 111.36 1p89 h TYR 200 Ca 0.00 0.00 -0.15 0.00 2.00 0.00 0.00 58.73 60.58 1p89 h TYR 200 Cb 0.52 0.00 -0.01 0.00 2.00 0.00 0.00 36.73 39.24 1p89 h TYR 200 CO 0.00 0.78 -0.51 0.97 -0.00 0.00 0.00 178.16 179.40 1p89 h ILE 201 N 0.00 1.32 -0.36 -2.88 6.09 -0.59 -2.78 117.51 118.31 1p89 h ILE 201 Ca -0.01 -1.74 0.02 0.00 -1.37 0.00 0.00 64.86 61.77 1p89 h ILE 201 Cb 1.38 1.73 -0.02 0.00 0.47 0.00 0.00 36.82 40.38 1p89 h ILE 201 CO 0.10 0.54 0.24 0.44 -3.07 0.00 0.00 178.15 176.40 1p89 h ASP 202 N 0.40 0.36 0.13 2.19 3.32 -1.60 0.47 116.42 121.69 1p89 h ASP 202 Ca 0.02 -0.01 -0.09 0.00 0.02 0.00 0.00 57.03 56.97 1p89 h ASP 202 Cb 1.03 -0.09 -0.01 0.00 0.22 0.00 0.00 39.33 40.48 1p89 h ASP 202 CO 0.09 0.25 -0.32 0.40 -1.72 0.00 0.00 179.24 177.94 1p89 h ILE 203 N 0.42 1.27 0.11 0.35 2.04 -1.54 0.29 117.51 120.44 1p89 h ILE 203 Ca 0.14 -1.33 0.01 0.00 1.00 0.00 0.00 64.86 64.69 1p89 h ILE 203 Cb 0.06 1.52 -0.02 0.00 -0.74 0.00 0.00 36.82 37.64 1p89 h ILE 203 CO -0.03 0.40 -0.16 0.74 0.00 0.00 0.00 178.15 179.10 1p89 h THR 204 N 0.26 0.64 -0.07 -0.27 2.02 -0.82 0.65 112.91 115.32 1p89 h THR 204 Ca 0.03 0.00 -0.19 0.00 0.77 0.00 0.00 66.41 67.02 1p89 h THR 204 Cb 0.70 0.64 -0.00 0.00 -1.74 0.00 0.00 68.15 67.75 1p89 h THR 204 CO 0.05 0.00 -0.76 -0.07 0.37 0.00 0.00 175.52 175.11 1p89 h LEU 205 N -0.32 0.52 -1.76 2.58 3.38 -1.38 -0.32 115.31 118.01 1p89 h LEU 205 Ca 0.02 -0.35 -0.03 0.00 0.09 0.00 0.00 57.88 57.60 1p89 h LEU 205 Cb 0.32 -0.15 -0.00 0.00 0.09 0.00 0.00 40.66 40.92 1p89 h LEU 205 CO -0.08 1.10 -0.16 0.78 0.09 0.00 0.00 178.44 180.18 1p89 h ASN 206 N 0.29 0.00 0.12 -0.43 4.21 -0.08 0.67 115.58 120.36 1p89 h ASN 206 Ca -0.04 0.00 -0.19 0.00 1.21 0.00 0.00 56.30 57.28 1p89 h ASN 206 Cb 1.35 0.00 0.02 0.00 -1.12 0.00 0.00 38.32 38.57 1p89 h ASN 206 CO 0.13 0.16 -0.84 0.25 -1.29 0.00 0.00 177.43 175.85 1p89 h LEU 207 N 0.00 0.52 -0.79 1.61 7.12 0.56 -2.95 115.31 121.38 1p89 h LEU 207 Ca -0.00 -0.91 -0.07 0.00 0.13 0.00 0.00 57.88 57.02 1p89 h LEU 207 Cb 0.32 -0.17 -0.03 0.00 -0.53 0.00 0.00 40.66 40.26 1p89 h LEU 207 CO 0.02 1.39 0.09 0.24 -0.13 0.00 0.00 178.44 180.05 1p89 h MET 208 N -0.27 1.00 -0.07 1.25 2.86 -0.32 -2.43 114.93 116.95 1p89 h MET 208 Ca -0.14 -0.26 -0.01 0.00 -2.06 0.00 0.00 59.70 57.23 1p89 h MET 208 Cb 1.63 -0.12 -0.00 0.00 0.06 0.00 0.00 31.60 33.17 1p89 h MET 208 CO 0.16 0.93 0.01 1.57 1.06 0.00 0.00 176.91 180.64 1p89 h LYS 209 N 0.94 0.12 -0.32 1.72 2.10 0.22 -0.28 116.57 121.07 1p89 h LYS 209 Ca 0.19 -0.03 0.09 0.00 -2.00 0.00 0.00 60.65 58.90 1p89 h LYS 209 Cb 0.43 -0.01 -0.01 0.00 -0.90 0.00 0.00 32.23 31.73 1p89 h LYS 209 CO 0.01 0.34 0.24 0.00 -2.00 0.00 0.00 179.45 178.05 1p89 h THR 210 N -0.12 0.77 -0.03 0.07 1.03 -1.44 -1.59 112.91 111.60 1p89 h THR 210 Ca 0.02 0.00 -0.02 0.00 -0.01 0.00 0.00 66.41 66.40 1p89 h THR 210 Cb 0.28 0.83 0.00 0.00 -1.07 0.00 0.00 68.15 68.19 1p89 h THR 210 CO 0.00 0.00 -0.07 -0.26 -0.01 0.00 0.00 175.52 175.19 1p89 h PHE 211 N 0.00 0.13 0.00 0.00 -1.00 -0.92 -3.43 116.94 111.72 1p89 h PHE 211 Ca 0.15 -0.05 0.00 0.00 2.81 0.00 0.00 57.97 60.89 1p89 h PHE 211 Cb 0.64 -0.02 0.00 0.00 3.61 0.00 0.00 35.95 40.18 1p89 h PHE 211 CO 0.00 0.65 0.00 0.41 -1.61 0.00 0.00 178.31 177.76 1p89 n GLY 212 N 0.45 -0.09 3.31 -1.45 0.00 -0.53 -2.66 105.19 104.23 1p89 n GLY 212 Ca -0.08 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.63 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 2.05 0.09 1.61 1.01 -0.23 -4.80 120.40 120.12 1p89 s VAL 213 Ca 0.00 -1.15 0.03 0.00 0.00 0.00 0.00 61.98 60.86 1p89 s VAL 213 Cb 0.00 -1.71 -0.04 0.00 0.00 0.00 0.00 36.38 34.64 1p89 s VAL 213 CO 0.00 0.54 -0.09 -1.61 0.00 0.00 0.00 175.10 173.94 1p89 s GLU 214 N -0.72 0.81 0.35 2.72 2.02 -1.26 -0.92 118.70 121.70 1p89 s GLU 214 Ca 0.10 -1.16 0.04 0.00 0.02 0.00 0.00 54.97 53.97 1p89 s GLU 214 Cb -0.10 -0.42 -0.03 0.00 0.10 0.00 0.00 34.13 33.68 1p89 s GLU 214 CO -0.00 0.05 0.14 0.96 0.02 0.00 0.00 175.26 176.43 1p89 s ILE 215 N -2.64 0.52 -0.18 -1.63 -5.25 -1.26 -4.42 121.20 106.33 1p89 s ILE 215 Ca 0.05 -2.00 -0.20 0.00 -0.99 0.00 0.00 60.65 57.52 1p89 s ILE 215 Cb -0.02 -2.47 -0.03 0.00 2.95 0.00 0.00 42.46 42.89 1p89 s ILE 215 CO -0.01 0.00 0.57 -0.70 -1.79 0.00 0.00 174.94 173.01 1p89 s GLU 216 N -3.76 4.22 -0.52 0.37 2.12 0.36 -4.98 118.70 116.52 1p89 s GLU 216 Ca 0.31 0.53 -0.15 0.00 0.36 0.00 0.00 54.97 56.02 1p89 s GLU 216 Cb 0.04 -3.55 0.12 0.00 0.26 0.00 0.00 34.13 31.00 1p89 s GLU 216 CO 0.17 -0.15 0.46 1.21 -0.54 0.00 0.00 175.26 176.41 1p89 s ASN 217 N 1.11 6.11 0.67 -1.70 3.04 -1.26 -0.93 114.94 121.98 1p89 s ASN 217 Ca 0.27 -1.73 0.00 0.00 0.04 0.00 0.00 52.86 51.44 1p89 s ASN 217 Cb -0.16 -2.18 0.00 0.00 -1.54 0.00 0.00 41.25 37.38 1p89 s ASN 217 CO 0.10 -0.80 0.00 0.00 -3.04 0.00 0.00 177.10 173.36 1p89 n GLN 218 N 5.19 -0.57 -0.68 0.43 1.13 -0.81 -4.74 117.38 117.33 1p89 n GLN 218 Ca -0.13 0.00 -0.08 0.00 -1.94 0.00 0.00 57.00 54.85 1p89 n GLN 218 Cb 0.41 0.00 -0.11 0.00 0.11 0.00 0.00 30.24 30.65 1p89 n GLN 218 CO 0.00 0.00 0.00 0.72 -1.44 0.00 0.00 177.06 176.34 1p89 n HIS 219 N -2.01 0.00 -1.59 1.08 8.25 -1.26 -4.51 115.22 115.17 1p89 n HIS 219 Ca 0.00 -1.05 -0.18 0.00 -0.26 0.00 0.00 57.72 56.22 1p89 n HIS 219 Cb 0.00 -1.16 -0.07 0.00 1.12 0.00 0.00 29.99 29.87 1p89 n HIS 219 CO 0.00 0.00 0.00 0.66 0.64 0.00 0.00 176.34 177.64 1p89 n TYR 220 N 2.49 -0.19 -0.01 4.41 4.01 -1.26 -4.74 117.16 121.86 1p89 n TYR 220 Ca 0.27 0.00 0.03 0.00 -0.16 0.00 0.00 57.90 58.04 1p89 n TYR 220 Cb 0.63 -3.21 -0.06 0.00 -0.31 0.00 0.00 39.34 36.39 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 -2.26 0.64 -3.76 -0.72 6.02 -1.26 -4.80 117.38 111.23 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 0.61 -1.19 -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 -2.50 0.42 -0.48 -1.09 -0.21 -1.26 0.25 119.66 114.79 1p89 s GLN 222 Ca -0.03 0.36 -0.02 0.00 0.02 0.00 0.00 55.36 55.69 1p89 s GLN 222 Cb 0.05 0.20 0.13 0.00 1.00 0.00 0.00 33.01 34.38 1p89 s GLN 222 CO 0.33 -0.06 0.28 -0.06 -2.12 0.00 0.00 175.29 173.66 1p89 s PHE 223 N -0.03 3.52 -0.44 0.91 0.40 1.10 -1.92 117.98 121.52 1p89 s PHE 223 Ca -0.02 -2.56 -0.26 0.00 -0.60 0.00 0.00 56.93 53.49 1p89 s PHE 223 Cb -0.03 -3.20 0.02 0.00 0.51 0.00 0.00 43.02 40.33 1p89 s PHE 223 CO 0.01 -0.92 0.96 0.08 0.70 0.00 0.00 175.22 176.05 1p89 s VAL 224 N 0.69 4.45 -0.31 -0.44 1.01 -0.11 -1.62 120.40 124.07 1p89 s VAL 224 Ca 0.11 0.95 -0.12 0.00 0.00 0.00 0.00 61.98 62.92 1p89 s VAL 224 Cb -0.22 -4.44 -0.03 0.00 0.00 0.00 0.00 36.38 31.69 1p89 s VAL 224 CO -0.04 -0.79 0.23 0.68 0.00 0.00 0.00 175.10 175.18 1p89 s VAL 225 N 3.81 5.29 -0.43 2.92 -7.23 0.25 0.13 120.40 125.14 1p89 s VAL 225 Ca 0.39 -0.01 -0.27 0.00 -1.81 0.00 0.00 61.98 60.28 1p89 s VAL 225 Cb -0.10 -3.64 -0.06 0.00 0.56 0.00 0.00 36.38 33.14 1p89 s VAL 225 CO 0.25 0.10 2.27 -0.54 -0.31 0.00 0.00 175.10 176.87 1p89 s LYS 226 N 1.77 2.48 0.81 4.82 3.01 -1.26 -1.50 119.74 129.86 1p89 s LYS 226 Ca 0.07 1.47 -0.14 0.00 -1.01 0.00 0.00 55.97 56.36 1p89 s LYS 226 Cb -0.17 -4.49 0.04 0.00 -1.01 0.00 0.00 37.83 32.20 1p89 s LYS 226 CO 0.11 -2.85 0.86 0.41 0.51 0.00 0.00 175.35 174.38 1p89 n GLY 227 N 5.88 -0.83 1.78 -3.33 0.00 -1.24 -3.29 105.19 104.16 1p89 n GLY 227 Ca 0.32 -0.50 0.00 0.00 0.00 0.00 0.00 46.02 45.84 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 1.05 0.64 2.36 -0.02 0.00 0.75 -4.66 105.19 105.30 1p89 n GLY 228 Ca 0.11 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.93 1p89 n GLY 228 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1p89 n GLN 229 N -2.70 -2.24 -3.15 1.61 1.13 0.31 -4.92 117.38 107.42 1p89 n GLN 229 Ca 0.00 -1.19 0.06 0.00 -1.94 0.00 0.00 57.00 53.93 1p89 n GLN 229 Cb 0.00 -1.07 -0.01 0.00 0.11 0.00 0.00 30.24 29.27 1p89 n GLN 229 CO 0.00 0.00 0.00 -1.12 -1.44 0.00 0.00 177.06 174.50 1p89 s SER 230 N -3.56 -0.22 0.68 1.08 0.01 -1.26 -4.34 113.70 106.09 1p89 s SER 230 Ca 0.48 0.08 -0.17 0.00 1.31 0.00 0.00 55.95 57.65 1p89 s SER 230 Cb -0.04 1.16 -0.02 0.00 0.21 0.00 0.00 66.02 67.33 1p89 s SER 230 CO 0.36 -0.04 0.94 -1.22 0.41 0.00 0.00 173.24 173.69 1p89 n TYR 231 N 5.27 0.64 -4.37 2.43 4.01 -1.25 -4.68 117.16 119.21 1p89 n TYR 231 Ca 0.01 0.40 -0.24 0.00 -0.16 0.00 0.00 57.90 57.92 1p89 n TYR 231 Cb 0.56 -2.09 -0.11 0.00 -0.31 0.00 0.00 39.34 37.39 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 -3.10 1.37 -0.56 -0.72 -2.07 -1.09 0.17 119.66 113.67 1p89 s GLN 232 Ca 0.74 -1.45 -0.27 0.00 -1.82 0.00 0.00 55.36 52.56 1p89 s GLN 232 Cb -0.37 -1.54 -0.03 0.00 -1.09 0.00 0.00 33.01 29.98 1p89 s GLN 232 CO 0.49 0.32 1.97 -1.54 -1.32 0.00 0.00 175.29 175.21 1p89 s SER 233 N -2.66 5.16 0.40 12.60 1.04 -0.84 -4.46 113.70 124.94 1p89 s SER 233 Ca 0.18 0.60 0.17 0.00 0.48 0.00 0.00 55.95 57.38 1p89 s SER 233 Cb -0.07 -2.52 0.86 0.00 0.10 0.00 0.00 66.02 64.39 1p89 s SER 233 CO 0.08 -2.41 1.85 1.55 0.98 0.00 0.00 173.24 175.29 1p89 h PRO 234 N 15.69 0.00 0.00 4.02 0.13 -1.84 -3.49 132.00 146.50 1p89 h PRO 234 Ca -0.26 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.87 1p89 h PRO 234 Cb 1.18 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.31 1p89 h PRO 234 CO 1.19 0.32 0.00 0.41 -0.23 0.00 0.00 178.00 179.69 1p89 n GLY 235 N -0.33 0.27 3.58 1.56 0.00 -1.26 -4.96 105.19 104.05 1p89 n GLY 235 Ca -0.01 -1.38 -0.41 0.00 0.00 0.00 0.00 46.02 44.22 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 4.98 0.02 2.61 2.01 -1.26 0.34 115.64 124.34 1p89 s THR 236 Ca 0.00 0.63 0.07 0.00 0.31 0.00 0.00 61.69 62.70 1p89 s THR 236 Cb 0.00 -3.97 -0.02 0.00 0.01 0.00 0.00 72.50 68.52 1p89 s THR 236 CO 0.00 -0.15 -0.20 -0.47 -0.69 0.00 0.00 174.62 173.10 1p89 s TYR 237 N 2.49 1.79 -0.30 4.92 5.04 0.30 -4.93 117.35 126.67 1p89 s TYR 237 Ca 0.22 -0.36 -0.15 0.00 -2.44 0.00 0.00 57.07 54.34 1p89 s TYR 237 Cb -0.15 -1.10 -0.03 0.00 0.35 0.00 0.00 41.96 41.03 1p89 s TYR 237 CO 0.12 0.05 0.35 -1.17 -1.34 0.00 0.00 175.55 173.57 1p89 s LEU 238 N -0.93 4.18 0.00 6.97 2.96 -1.26 -0.28 118.68 130.32 1p89 s LEU 238 Ca 0.07 0.07 0.00 0.00 -0.22 0.00 0.00 54.13 54.05 1p89 s LEU 238 Cb -0.08 -2.37 0.00 0.00 0.50 0.00 0.00 46.19 44.24 1p89 s LEU 238 CO 0.01 -0.23 0.30 0.52 -1.32 0.00 0.00 176.35 175.63 1p89 n VAL 239 N 5.17 0.00 -0.18 1.68 0.31 0.31 -4.82 118.33 120.79 1p89 n VAL 239 Ca -0.09 0.80 0.00 0.00 -0.01 0.00 0.00 64.34 65.04 1p89 n VAL 239 Cb 0.50 -1.78 0.00 0.00 -0.91 0.00 0.00 33.84 31.65 1p89 n VAL 239 CO 0.00 0.00 0.00 1.21 -1.32 0.00 0.00 176.83 176.72