#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 -0.27 4.04 7.08 -1.91 -3.11 115.58 121.40 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 -0.01 0.00 -2.08 0.00 0.00 38.32 36.23 1p89 h ASN 26 CO 0.00 0.46 0.17 0.03 -2.08 0.00 0.00 177.43 176.01 1p89 h ARG 27 N 0.00 0.37 -0.14 4.14 3.08 -2.00 -0.74 114.38 119.10 1p89 h ARG 27 Ca -0.00 -0.03 -0.12 0.00 0.07 0.00 0.00 59.98 59.90 1p89 h ARG 27 Cb 1.31 -0.08 -0.01 0.00 0.08 0.00 0.00 29.97 31.27 1p89 h ARG 27 CO 0.06 0.28 -0.43 0.00 -1.07 0.00 0.00 179.97 178.80 1p89 h ALA 28 N 1.07 1.01 0.44 0.04 0.00 -1.98 -0.94 119.26 118.90 1p89 h ALA 28 Ca 0.10 -0.43 -0.02 0.00 0.00 0.00 0.00 54.91 54.55 1p89 h ALA 28 Cb 0.00 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.70 1p89 h ALA 28 CO -0.02 0.62 -0.21 -0.07 0.00 0.00 0.00 179.25 179.57 1p89 h LEU 29 N 0.26 -0.50 0.09 0.00 3.38 -1.36 0.53 115.31 117.71 1p89 h LEU 29 Ca 0.02 -0.02 -0.00 0.00 0.09 0.00 0.00 57.88 57.97 1p89 h LEU 29 Cb 0.87 0.13 0.00 0.00 0.09 0.00 0.00 40.66 41.75 1p89 h LEU 29 CO 0.07 -0.31 -0.04 0.25 0.09 0.00 0.00 178.44 178.50 1p89 h LEU 30 N -0.65 -0.11 -1.42 1.67 5.85 -1.15 -1.75 115.31 117.76 1p89 h LEU 30 Ca -0.06 -0.29 0.13 0.00 0.84 0.00 0.00 57.88 58.51 1p89 h LEU 30 Cb 0.48 0.03 -0.06 0.00 0.37 0.00 0.00 40.66 41.48 1p89 h LEU 30 CO 0.10 0.24 0.53 -0.07 -0.34 0.00 0.00 178.44 178.90 1p89 h LEU 31 N -0.46 0.55 -0.71 2.25 3.38 -1.20 0.18 115.31 119.30 1p89 h LEU 31 Ca -0.01 0.03 -0.14 0.00 0.09 0.00 0.00 57.88 57.85 1p89 h LEU 31 Cb 0.39 -0.08 -0.02 0.00 0.09 0.00 0.00 40.66 41.04 1p89 h LEU 31 CO 0.02 0.29 -0.64 0.00 0.09 0.00 0.00 178.44 178.20 1p89 h ALA 32 N 1.62 0.93 -0.06 1.53 0.00 -0.77 -2.27 119.26 120.25 1p89 h ALA 32 Ca 0.40 -0.59 -0.14 0.00 0.00 0.00 0.00 54.91 54.58 1p89 h ALA 32 Cb 0.71 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.38 1p89 h ALA 32 CO -0.16 0.80 -0.57 0.00 0.00 0.00 0.00 179.25 179.33 1p89 h ALA 33 N 1.36 0.91 0.00 0.00 0.00 0.27 -2.97 119.26 118.82 1p89 h ALA 33 Ca -0.01 -0.52 0.00 0.00 0.00 0.00 0.00 54.91 54.38 1p89 h ALA 33 Cb 1.14 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.84 1p89 h ALA 33 CO 0.08 0.71 -0.55 1.28 0.00 0.00 0.00 179.25 180.78 1p89 n LEU 34 N -3.89 0.53 -4.88 0.00 4.77 -0.71 0.16 117.00 112.99 1p89 n LEU 34 Ca -0.02 0.05 -0.30 0.00 -0.03 0.00 0.00 56.01 55.71 1p89 n LEU 34 Cb 0.59 -0.23 0.03 0.00 -2.33 0.00 0.00 43.42 41.48 1p89 n LEU 34 CO 0.44 0.08 0.71 0.00 -1.33 0.00 0.00 177.39 177.29 1p89 s ALA 35 N -3.04 3.01 -0.65 -1.18 0.00 -0.86 -3.46 121.76 115.57 1p89 s ALA 35 Ca 0.10 -0.32 -0.17 0.00 0.00 0.00 0.00 51.96 51.56 1p89 s ALA 35 Cb 0.17 -2.98 0.13 0.00 0.00 0.00 0.00 23.12 20.44 1p89 s ALA 35 CO 0.71 -0.96 0.70 -1.01 0.00 0.00 0.00 175.76 175.21 1p89 s HIS 36 N -3.25 3.21 0.00 0.00 3.76 0.16 -1.15 115.29 118.02 1p89 s HIS 36 Ca 0.56 -1.27 0.00 0.00 -0.15 0.00 0.00 55.06 54.20 1p89 s HIS 36 Cb -0.11 -3.95 0.00 0.00 1.11 0.00 0.00 32.58 29.63 1p89 s HIS 36 CO 0.51 -1.19 0.00 0.41 -0.85 0.00 0.00 174.74 173.62 1p89 n GLY 37 N 5.05 3.40 3.75 -2.22 0.00 -1.24 -2.44 105.19 111.50 1p89 n GLY 37 Ca -0.03 -1.68 -0.41 0.00 0.00 0.00 0.00 46.02 43.90 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 -4.30 4.51 0.21 1.61 2.20 -1.26 -2.06 119.74 120.65 1p89 s LYS 38 Ca 0.00 1.94 0.03 0.00 -0.36 0.00 0.00 55.97 57.59 1p89 s LYS 38 Cb 0.00 -3.18 -0.05 0.00 -1.51 0.00 0.00 37.83 33.09 1p89 s LYS 38 CO 0.00 -0.01 -0.02 0.99 -0.36 0.00 0.00 175.35 175.96 1p89 s THR 39 N -0.72 1.00 -0.02 3.43 2.01 0.46 -4.70 115.64 117.10 1p89 s THR 39 Ca 0.49 -2.03 0.02 0.00 0.31 0.00 0.00 61.69 60.48 1p89 s THR 39 Cb -0.34 -2.24 -0.03 0.00 0.01 0.00 0.00 72.50 69.90 1p89 s THR 39 CO 0.42 -0.41 -0.06 -0.69 -0.69 0.00 0.00 174.62 173.19 1p89 s VAL 40 N -3.44 3.72 -0.21 3.82 1.01 0.12 -0.07 120.40 125.35 1p89 s VAL 40 Ca 0.26 -0.65 -0.01 0.00 0.00 0.00 0.00 61.98 61.58 1p89 s VAL 40 Cb 0.05 -2.59 0.06 0.00 0.00 0.00 0.00 36.38 33.90 1p89 s VAL 40 CO 0.07 0.47 -0.01 -1.48 0.00 0.00 0.00 175.10 174.14 1p89 s LEU 41 N -1.21 1.82 0.41 3.92 2.34 0.23 0.27 118.68 126.47 1p89 s LEU 41 Ca 0.16 -0.95 0.08 0.00 0.06 0.00 0.00 54.13 53.47 1p89 s LEU 41 Cb -0.11 -0.88 0.01 0.00 -0.56 0.00 0.00 46.19 44.65 1p89 s LEU 41 CO 0.05 -0.26 0.55 0.28 -1.06 0.00 0.00 176.35 175.91 1p89 s THR 42 N 1.64 3.07 -1.39 5.48 -1.32 0.43 -0.47 115.64 123.08 1p89 s THR 42 Ca -0.03 -1.03 0.00 0.00 -1.21 0.00 0.00 61.69 59.42 1p89 s THR 42 Cb -0.18 -3.04 0.00 0.00 -1.51 0.00 0.00 72.50 67.78 1p89 s THR 42 CO -0.07 -0.01 0.00 -3.20 -2.21 0.00 0.00 174.62 169.12 1p89 n ASN 43 N -1.81 -4.56 -4.70 8.08 5.15 0.46 0.82 115.26 118.70 1p89 n ASN 43 Ca 0.07 0.29 -0.34 0.00 -0.60 0.00 0.00 54.58 54.00 1p89 n ASN 43 Cb 0.59 -3.30 0.12 0.00 -0.53 0.00 0.00 39.78 36.66 1p89 n ASN 43 CO 0.00 0.00 0.00 -0.22 1.40 0.00 0.00 177.26 178.44 1p89 s LEU 44 N -3.14 3.23 -0.36 1.20 2.96 0.11 -4.17 118.68 118.51 1p89 s LEU 44 Ca 0.00 2.43 -0.20 0.00 -0.22 0.00 0.00 54.13 56.14 1p89 s LEU 44 Cb 0.00 -4.60 0.00 0.00 0.50 0.00 0.00 46.19 42.10 1p89 s LEU 44 CO 0.00 -2.55 0.62 -0.22 -1.32 0.00 0.00 176.35 172.89 1p89 s LEU 45 N -5.43 4.29 -1.18 -0.68 2.96 -1.26 -4.40 118.68 112.98 1p89 s LEU 45 Ca 0.75 0.08 -0.20 0.00 -0.22 0.00 0.00 54.13 54.54 1p89 s LEU 45 Cb -0.31 -2.76 -0.04 0.00 0.50 0.00 0.00 46.19 43.58 1p89 s LEU 45 CO 0.48 -0.60 1.90 -0.67 -1.32 0.00 0.00 176.35 176.14 1p89 n ASP 46 N 6.03 3.62 -0.44 3.68 -0.08 -1.25 -4.59 116.55 123.51 1p89 n ASP 46 Ca -0.02 -2.77 0.00 0.00 -1.51 0.00 0.00 54.79 50.49 1p89 n ASP 46 Cb 0.49 -1.64 0.00 0.00 2.34 0.00 0.00 41.12 42.30 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 10.94 0.26 0.02 1.67 7.64 -1.26 -5.06 113.62 127.83 1p89 n SER 47 Ca 0.47 -0.39 0.11 0.00 1.01 0.00 0.00 58.87 60.08 1p89 n SER 47 Cb 0.45 0.00 -0.11 0.00 -1.01 0.00 0.00 64.21 63.54 1p89 n SER 47 CO 0.00 0.00 0.00 0.47 -3.01 0.00 0.00 175.04 172.50 1p89 n ASP 48 N -1.06 0.32 0.18 6.43 9.92 -1.26 -3.25 116.55 127.82 1p89 n ASP 48 Ca 0.00 0.02 0.04 0.00 -0.53 0.00 0.00 54.79 54.32 1p89 n ASP 48 Cb 0.00 1.45 0.28 0.00 -0.64 0.00 0.00 41.12 42.21 1p89 n ASP 48 CO 0.00 0.00 0.00 0.44 0.13 0.00 0.00 177.20 177.77 1p89 h ASP 49 N 0.00 0.00 0.00 -2.24 5.19 -1.91 -2.85 116.42 114.61 1p89 h ASP 49 Ca 0.00 0.00 -0.18 0.00 -0.62 0.00 0.00 57.03 56.23 1p89 h ASP 49 Cb 0.95 0.00 -0.03 0.00 0.18 0.00 0.00 39.33 40.44 1p89 h ASP 49 CO 0.00 0.43 -1.10 0.52 -3.12 0.00 0.00 179.24 175.97 1p89 n VAL 50 N -3.53 1.51 0.06 -1.35 0.31 -1.26 -3.55 118.33 110.52 1p89 n VAL 50 Ca -0.00 0.03 0.21 0.00 -0.01 0.00 0.00 64.34 64.57 1p89 n VAL 50 Cb 0.55 -2.13 0.74 0.00 -0.91 0.00 0.00 33.84 32.09 1p89 n VAL 50 CO 0.00 0.00 0.00 0.08 -1.32 0.00 0.00 176.83 175.59 1p89 h ARG 51 N -1.00 0.00 -0.12 5.55 0.11 -1.65 0.73 114.38 118.00 1p89 h ARG 51 Ca -0.27 0.00 -0.20 0.00 0.10 0.00 0.00 59.98 59.61 1p89 h ARG 51 Cb 1.12 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.20 1p89 h ARG 51 CO -0.16 0.00 -0.75 0.45 0.10 0.00 0.00 179.97 179.61 1p89 h HIS 52 N 0.00 0.82 -0.18 4.08 3.86 -1.65 0.16 115.15 122.24 1p89 h HIS 52 Ca 0.22 -0.36 -0.02 0.00 -1.16 0.00 0.00 60.37 59.04 1p89 h HIS 52 Cb 1.11 -0.13 -0.01 0.00 1.06 0.00 0.00 27.41 29.44 1p89 h HIS 52 CO 0.00 1.16 0.03 1.98 0.86 0.00 0.00 177.93 181.96 1p89 h MET 53 N 0.42 0.30 -0.25 2.45 1.85 0.34 0.76 114.93 120.79 1p89 h MET 53 Ca -0.04 -0.08 -0.01 0.00 -0.61 0.00 0.00 59.70 58.96 1p89 h MET 53 Cb 1.35 -0.04 -0.01 0.00 0.43 0.00 0.00 31.60 33.34 1p89 h MET 53 CO 0.14 0.45 0.13 -0.07 -0.40 0.00 0.00 176.91 177.17 1p89 h LEU 54 N 0.10 0.32 -2.17 3.39 4.07 -1.01 -1.43 115.31 118.58 1p89 h LEU 54 Ca 0.06 -0.10 0.01 0.00 0.08 0.00 0.00 57.88 57.92 1p89 h LEU 54 Cb 0.30 -0.08 -0.00 0.00 1.08 0.00 0.00 40.66 41.95 1p89 h LEU 54 CO 0.00 0.33 0.03 0.78 -1.08 0.00 0.00 178.44 178.51 1p89 h ASN 55 N 0.29 0.00 -0.28 -0.43 4.21 -0.52 -1.62 115.58 117.23 1p89 h ASN 55 Ca 0.09 0.00 -0.09 0.00 1.21 0.00 0.00 56.30 57.51 1p89 h ASN 55 Cb 0.09 0.00 -0.01 0.00 -1.12 0.00 0.00 38.32 37.28 1p89 h ASN 55 CO -0.01 0.00 -0.17 0.00 -1.29 0.00 0.00 177.43 175.96 1p89 h ALA 56 N 1.97 0.40 0.02 -0.83 0.00 0.21 -2.57 119.26 118.46 1p89 h ALA 56 Ca 0.02 -0.34 -0.00 0.00 0.00 0.00 0.00 54.91 54.59 1p89 h ALA 56 Cb 0.07 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.77 1p89 h ALA 56 CO -0.00 0.31 -0.01 -0.07 0.00 0.00 0.00 179.25 179.48 1p89 h LEU 57 N 0.35 -0.02 -2.00 0.00 3.38 -0.77 -3.04 115.31 113.21 1p89 h LEU 57 Ca 0.06 -0.57 0.22 0.00 0.09 0.00 0.00 57.88 57.69 1p89 h LEU 57 Cb 0.70 0.01 -0.03 0.00 0.09 0.00 0.00 40.66 41.42 1p89 h LEU 57 CO 0.05 0.56 0.56 0.00 0.09 0.00 0.00 178.44 179.70 1p89 h THR 58 N -0.62 0.60 -0.51 0.22 1.03 -1.41 0.18 112.91 112.39 1p89 h THR 58 Ca -0.00 0.00 0.01 0.00 -0.01 0.00 0.00 66.41 66.41 1p89 h THR 58 Cb 0.59 0.61 -0.03 0.00 -1.07 0.00 0.00 68.15 68.25 1p89 h THR 58 CO 0.00 0.00 0.33 0.00 -0.01 0.00 0.00 175.52 175.85 1p89 h ALA 59 N 1.60 0.65 0.00 0.00 0.00 -1.34 -1.31 119.26 118.86 1p89 h ALA 59 Ca 0.37 -0.03 -0.07 0.00 0.00 0.00 0.00 54.91 55.18 1p89 h ALA 59 Cb 1.48 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 19.07 1p89 h ALA 59 CO -0.00 0.08 -0.33 -0.07 0.00 0.00 0.00 179.25 178.93 1p89 h LEU 60 N 0.68 0.00 0.00 0.00 4.07 -0.74 -3.47 115.31 115.85 1p89 h LEU 60 Ca 0.19 0.00 0.00 0.00 0.08 0.00 0.00 57.88 58.15 1p89 h LEU 60 Cb -0.07 0.00 0.00 0.00 1.08 0.00 0.00 40.66 41.67 1p89 h LEU 60 CO -0.05 0.33 0.00 0.61 -1.08 0.00 0.00 178.44 178.25 1p89 n GLY 61 N 0.57 0.07 3.74 0.83 0.00 -0.41 -4.73 105.19 105.26 1p89 n GLY 61 Ca 0.01 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.66 1p89 n GLY 61 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1p89 s VAL 62 N -1.06 2.21 -0.38 1.61 1.01 -0.50 -4.87 120.40 118.42 1p89 s VAL 62 Ca 0.00 0.13 -0.05 0.00 0.00 0.00 0.00 61.98 62.06 1p89 s VAL 62 Cb 0.00 -3.04 0.08 0.00 0.00 0.00 0.00 36.38 33.42 1p89 s VAL 62 CO 0.00 -0.03 0.16 -0.44 0.00 0.00 0.00 175.10 174.79 1p89 s SER 63 N -1.47 5.29 0.26 3.32 0.01 -1.26 -3.81 113.70 116.04 1p89 s SER 63 Ca 0.81 -1.60 0.11 0.00 1.31 0.00 0.00 55.95 56.58 1p89 s SER 63 Cb -0.35 -1.85 -0.05 0.00 0.21 0.00 0.00 66.02 63.98 1p89 s SER 63 CO 0.38 -0.45 -0.15 -0.72 0.41 0.00 0.00 173.24 172.71 1p89 s TYR 64 N 1.28 2.42 -0.23 2.43 -0.85 -1.26 -0.55 117.35 120.60 1p89 s TYR 64 Ca 0.02 -0.30 -0.05 0.00 -0.52 0.00 0.00 57.07 56.23 1p89 s TYR 64 Cb -0.22 -1.07 0.12 0.00 0.38 0.00 0.00 41.96 41.17 1p89 s TYR 64 CO -0.01 0.66 0.42 0.99 -1.52 0.00 0.00 175.55 176.10 1p89 s THR 65 N -2.34 -0.67 0.89 -3.49 2.01 -0.96 -4.91 115.64 106.17 1p89 s THR 65 Ca 0.29 0.05 -0.11 0.00 0.31 0.00 0.00 61.69 62.23 1p89 s THR 65 Cb -0.06 -0.77 0.18 0.00 0.01 0.00 0.00 72.50 71.87 1p89 s THR 65 CO 0.16 -0.02 1.22 -0.76 -0.69 0.00 0.00 174.62 174.53 1p89 s LEU 66 N 2.61 2.81 0.00 4.42 2.01 -1.25 -0.60 118.68 128.68 1p89 s LEU 66 Ca 0.06 -0.00 0.02 0.00 0.01 0.00 0.00 54.13 54.22 1p89 s LEU 66 Cb -0.14 -2.10 0.14 0.00 0.01 0.00 0.00 46.19 44.10 1p89 s LEU 66 CO -0.15 -2.50 0.97 -0.24 1.01 0.00 0.00 176.35 175.44 1p89 n SER 67 N -3.48 1.58 0.31 2.29 2.88 0.24 -4.83 113.62 112.61 1p89 n SER 67 Ca 0.16 -2.27 0.21 0.00 -1.33 0.00 0.00 58.87 55.64 1p89 n SER 67 Cb 0.60 -0.61 1.11 0.00 -0.75 0.00 0.00 64.21 64.56 1p89 n SER 67 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1p89 h ALA 68 N -0.43 1.00 -0.11 -1.46 0.00 -1.99 -0.49 119.26 115.77 1p89 h ALA 68 Ca -0.32 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.59 1p89 h ALA 68 Cb 1.26 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.05 1p89 h ALA 68 CO 0.37 0.00 0.00 -0.25 0.00 0.00 0.00 179.25 179.37 1p89 n ASP 69 N -2.99 2.08 -3.60 0.00 9.92 -1.26 -4.99 116.55 115.71 1p89 n ASP 69 Ca -0.02 -1.69 -0.24 0.00 -0.53 0.00 0.00 54.79 52.30 1p89 n ASP 69 Cb 0.09 -0.07 0.08 0.00 -0.64 0.00 0.00 41.12 40.57 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 0.14 -7.61 0.00 -1.24 1.74 -0.19 -4.73 116.66 104.77 1p89 n ARG 70 Ca 0.05 0.81 0.00 0.00 -0.77 0.00 0.00 57.85 57.94 1p89 n ARG 70 Cb 0.26 -5.85 0.00 0.00 -1.02 0.00 0.00 32.46 25.85 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 -4.87 0.00 -3.60 0.55 -2.24 -1.26 -3.87 114.28 98.98 1p89 n THR 71 Ca -0.03 -0.45 -0.19 0.00 -2.27 0.00 0.00 64.05 61.11 1p89 n THR 71 Cb 0.57 1.10 -0.15 0.00 -2.10 0.00 0.00 70.33 69.75 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 -0.00 0.09 0.13 -0.78 1.04 -1.25 0.17 118.95 118.35 1p89 s ARG 72 Ca 0.00 0.36 0.10 0.00 -1.04 0.00 0.00 55.73 55.15 1p89 s ARG 72 Cb 0.00 -0.80 -0.04 0.00 -2.04 0.00 0.00 34.95 32.08 1p89 s ARG 72 CO 0.00 -0.47 -0.26 0.00 -0.04 0.00 0.00 175.30 174.53 1p89 s GLU 74 N -2.06 1.88 -0.22 0.00 2.02 0.23 0.78 118.70 121.33 1p89 s GLU 74 Ca 0.13 -1.66 -0.11 0.00 0.02 0.00 0.00 54.97 53.35 1p89 s GLU 74 Cb -0.10 -3.19 -0.05 0.00 0.10 0.00 0.00 34.13 30.89 1p89 s GLU 74 CO 0.06 -0.83 0.18 0.42 0.02 0.00 0.00 175.26 175.11 1p89 s ILE 75 N 1.04 5.35 -0.44 -1.63 1.09 0.90 -2.27 121.20 125.24 1p89 s ILE 75 Ca 0.03 0.26 -0.29 0.00 -1.10 0.00 0.00 60.65 59.55 1p89 s ILE 75 Cb -0.20 -3.52 0.02 0.00 -1.06 0.00 0.00 42.46 37.70 1p89 s ILE 75 CO -0.06 0.36 1.21 -0.63 -0.10 0.00 0.00 174.94 175.73 1p89 s ILE 76 N 0.85 4.15 -0.25 2.92 1.01 0.29 -0.40 121.20 129.77 1p89 s ILE 76 Ca 0.09 1.19 -0.33 0.00 0.00 0.00 0.00 60.65 61.60 1p89 s ILE 76 Cb -0.13 -4.47 -0.10 0.00 0.01 0.00 0.00 42.46 37.77 1p89 s ILE 76 CO 0.03 -0.88 2.11 0.61 0.00 0.00 0.00 174.94 176.81 1p89 n GLY 77 N 4.80 0.89 0.32 6.18 0.00 -0.88 -4.41 105.19 112.09 1p89 n GLY 77 Ca 0.13 0.88 0.21 0.00 0.00 0.00 0.00 46.02 47.24 1p89 n GLY 77 CO 0.00 0.00 0.00 -0.57 0.00 0.00 0.00 173.32 172.75 1p89 h ASN 78 N 12.19 0.00 0.00 1.61 -1.24 0.16 -3.29 115.58 125.01 1p89 h ASN 78 Ca -0.37 0.00 0.00 0.00 0.71 0.00 0.00 56.30 56.64 1p89 h ASN 78 Cb 1.29 0.00 0.00 0.00 0.73 0.00 0.00 38.32 40.34 1p89 h ASN 78 CO 0.98 0.00 0.00 0.61 -1.29 0.00 0.00 177.43 177.73 1p89 n GLY 79 N -0.89 3.08 0.00 1.57 0.00 -0.30 -4.92 105.19 103.73 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 -1.36 5.39 3.86 -0.02 0.00 -1.23 -4.62 105.19 107.22 1p89 n GLY 80 Ca 0.00 -1.25 -0.30 0.00 0.00 0.00 0.00 46.02 44.47 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 2.06 2.69 -0.71 1.61 0.02 -1.26 -3.57 135.00 135.84 1p89 s PRO 81 Ca 0.00 0.52 -0.26 0.00 0.02 0.00 0.00 61.00 61.28 1p89 s PRO 81 Cb 0.00 -2.00 -0.09 0.00 0.02 0.00 0.00 34.50 32.44 1p89 s PRO 81 CO 0.00 -1.17 2.25 -0.51 -0.33 0.00 0.00 177.00 177.24 1p89 s LEU 82 N -5.46 3.12 -0.25 -5.54 2.01 -1.25 -4.87 118.68 106.44 1p89 s LEU 82 Ca 0.59 0.21 -0.22 0.00 0.01 0.00 0.00 54.13 54.72 1p89 s LEU 82 Cb -0.12 -2.54 -0.01 0.00 0.01 0.00 0.00 46.19 43.53 1p89 s LEU 82 CO 0.52 -3.20 0.71 -1.00 1.01 0.00 0.00 176.35 174.39 1p89 s HIS 83 N 12.45 3.30 -0.23 0.29 3.76 -1.26 -4.42 115.29 129.17 1p89 s HIS 83 Ca 0.86 0.95 -0.03 0.00 -0.15 0.00 0.00 55.06 56.69 1p89 s HIS 83 Cb -0.13 -2.92 0.12 0.00 1.11 0.00 0.00 32.58 30.77 1p89 s HIS 83 CO 0.13 -0.35 0.33 0.00 -0.85 0.00 0.00 174.74 173.99 1p89 s ALA 84 N 2.60 -0.81 -0.67 -1.40 0.00 -1.26 -4.74 121.76 115.48 1p89 s ALA 84 Ca 0.30 0.64 -0.07 0.00 0.00 0.00 0.00 51.96 52.83 1p89 s ALA 84 Cb -0.15 -1.58 0.17 0.00 0.00 0.00 0.00 23.12 21.56 1p89 s ALA 84 CO 0.08 -1.27 0.53 -2.00 0.00 0.00 0.00 175.76 173.10 1p89 s GLU 85 N 2.47 2.87 0.00 0.00 2.12 -1.26 -1.49 118.70 123.41 1p89 s GLU 85 Ca 0.11 -2.41 0.00 0.00 0.36 0.00 0.00 54.97 53.03 1p89 s GLU 85 Cb -0.15 -3.97 0.00 0.00 0.26 0.00 0.00 34.13 30.26 1p89 s GLU 85 CO -0.16 -1.21 0.03 0.41 -0.54 0.00 0.00 175.26 173.79 1p89 n GLY 86 N 3.82 0.05 3.61 -1.50 0.00 -1.26 -4.97 105.19 104.94 1p89 n GLY 86 Ca 0.08 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.89 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 -2.06 -2.08 4.61 0.00 -0.52 -4.93 120.51 115.54 1p89 n ALA 87 Ca 0.00 -0.13 -0.41 0.00 0.00 0.00 0.00 53.44 52.90 1p89 n ALA 87 Cb 0.03 -2.32 -0.04 0.00 0.00 0.00 0.00 19.45 17.11 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 -6.52 4.51 -0.14 0.00 2.96 0.68 -4.67 118.68 115.50 1p89 s LEU 88 Ca 0.04 2.00 0.01 0.00 -0.22 0.00 0.00 54.13 55.96 1p89 s LEU 88 Cb -0.01 -3.60 -0.00 0.00 0.50 0.00 0.00 46.19 43.08 1p89 s LEU 88 CO 0.79 -0.14 -0.17 -0.70 -1.32 0.00 0.00 176.35 174.81 1p89 s GLU 89 N -0.38 3.22 0.31 1.98 2.12 -1.26 0.14 118.70 124.84 1p89 s GLU 89 Ca 0.48 -0.76 0.08 0.00 0.36 0.00 0.00 54.97 55.13 1p89 s GLU 89 Cb -0.27 -2.56 -0.04 0.00 0.26 0.00 0.00 34.13 31.52 1p89 s GLU 89 CO 0.33 0.10 0.16 -0.51 -0.54 0.00 0.00 175.26 174.80 1p89 s LEU 90 N 0.60 3.42 -0.27 2.70 1.43 -0.07 -4.90 118.68 121.60 1p89 s LEU 90 Ca -0.09 -0.60 0.01 0.00 -1.03 0.00 0.00 54.13 52.41 1p89 s LEU 90 Cb -0.16 -1.94 0.07 0.00 0.03 0.00 0.00 46.19 44.19 1p89 s LEU 90 CO 0.03 -0.22 -0.01 0.12 0.23 0.00 0.00 176.35 176.50 1p89 s PHE 91 N -2.33 2.55 -2.26 0.29 2.19 -1.25 -0.17 117.98 116.99 1p89 s PHE 91 Ca 0.37 -1.98 0.20 0.00 0.33 0.00 0.00 56.93 55.84 1p89 s PHE 91 Cb -0.05 -1.84 0.57 0.00 -1.31 0.00 0.00 43.02 40.39 1p89 s PHE 91 CO 0.23 -0.82 1.45 1.28 1.83 0.00 0.00 175.22 179.19 1p89 n LEU 92 N 4.62 2.38 0.00 6.12 7.99 0.26 -4.87 117.00 133.50 1p89 n LEU 92 Ca -0.08 -1.06 0.00 0.00 -0.01 0.00 0.00 56.01 54.86 1p89 n LEU 92 Cb 0.43 -0.20 0.00 0.00 -0.11 0.00 0.00 43.42 43.54 1p89 n LEU 92 CO 0.18 0.53 0.00 0.61 -1.51 0.00 0.00 177.39 177.20 1p89 n GLY 93 N 1.26 1.34 2.75 -0.72 0.00 -1.25 -1.89 105.19 106.68 1p89 n GLY 93 Ca 0.17 -0.34 -0.37 0.00 0.00 0.00 0.00 46.02 45.48 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 -1.97 7.25 0.00 1.61 2.85 -1.26 -2.62 115.26 121.12 1p89 n ASN 94 Ca 0.00 -3.61 0.00 0.00 -0.11 0.00 0.00 54.58 50.86 1p89 n ASN 94 Cb 0.00 -1.14 0.00 0.00 1.24 0.00 0.00 39.78 39.88 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 0.03 0.00 0.00 5.20 0.00 -0.79 -4.86 120.51 120.09 1p89 n ALA 95 Ca 0.52 -0.07 0.00 0.00 0.00 0.00 0.00 53.44 53.89 1p89 n ALA 95 Cb 0.32 0.00 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 2.05 3.02 0.06 0.00 0.00 -1.26 -4.73 105.19 104.33 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 -1.30 0.00 0.00 0.00 173.32 172.02 1p89 n THR 97 N -2.00 0.00 0.00 2.61 -2.24 -1.26 -4.21 114.28 107.18 1p89 n THR 97 Ca 0.00 -0.03 0.00 0.00 -2.27 0.00 0.00 64.05 61.75 1p89 n THR 97 Cb 0.00 0.80 0.00 0.00 -2.10 0.00 0.00 70.33 69.03 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 -1.30 1.34 0.11 6.98 0.00 -1.26 -4.61 120.51 121.76 1p89 n ALA 98 Ca 0.05 0.00 -0.18 0.00 0.00 0.00 0.00 53.44 53.32 1p89 n ALA 98 Cb 0.35 0.00 -0.13 0.00 0.00 0.00 0.00 19.45 19.67 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 0.36 0.01 0.00 -1.53 -1.90 -2.61 114.93 109.27 1p89 h MET 99 Ca 0.00 -0.58 -0.03 0.00 -3.44 0.00 0.00 59.70 55.65 1p89 h MET 99 Cb 0.00 0.21 0.00 0.00 -0.55 0.00 0.00 31.60 31.26 1p89 h MET 99 CO 0.00 1.26 -0.14 0.00 0.14 0.00 0.00 176.91 178.17 1p89 h ARG 100 N 0.12 0.07 -0.52 0.39 -0.00 -1.86 -2.60 114.38 109.98 1p89 h ARG 100 Ca -0.16 -0.09 -0.04 0.00 -0.50 0.00 0.00 59.98 59.19 1p89 h ARG 100 Cb 1.96 0.03 -0.02 0.00 0.00 0.00 0.00 29.97 31.94 1p89 h ARG 100 CO 0.22 0.95 0.15 -1.35 0.00 0.00 0.00 179.97 179.94 1p89 h PRO 101 N -0.77 0.81 -0.01 0.04 0.11 -1.72 -2.76 132.00 127.70 1p89 h PRO 101 Ca -0.02 -0.18 -0.12 0.00 0.11 0.00 0.00 66.00 65.79 1p89 h PRO 101 Cb 1.01 -0.11 -0.02 0.00 0.11 0.00 0.00 31.00 31.99 1p89 h PRO 101 CO 0.03 0.76 -0.55 1.25 -0.21 0.00 0.00 178.00 179.28 1p89 h LEU 102 N 0.71 0.04 -0.06 2.35 7.12 -1.61 -1.81 115.31 122.05 1p89 h LEU 102 Ca 0.17 -0.02 -0.00 0.00 0.13 0.00 0.00 57.88 58.15 1p89 h LEU 102 Cb 0.29 -0.01 -0.00 0.00 -0.53 0.00 0.00 40.66 40.41 1p89 h LEU 102 CO -0.00 0.58 0.02 0.00 -0.13 0.00 0.00 178.44 178.91 1p89 h ALA 103 N 1.42 0.08 -0.10 1.25 0.00 -1.28 -3.12 119.26 117.51 1p89 h ALA 103 Ca -0.00 -0.10 -0.17 0.00 0.00 0.00 0.00 54.91 54.64 1p89 h ALA 103 Cb 0.98 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.74 1p89 h ALA 103 CO 0.07 -0.33 -0.65 0.00 0.00 0.00 0.00 179.25 178.35 1p89 h ALA 104 N 0.84 0.69 -0.63 0.00 0.00 -1.46 -3.25 119.26 115.46 1p89 h ALA 104 Ca 0.02 -0.57 0.04 0.00 0.00 0.00 0.00 54.91 54.41 1p89 h ALA 104 Cb 0.19 -0.07 -0.05 0.00 0.00 0.00 0.00 17.79 17.86 1p89 h ALA 104 CO -0.00 0.73 0.36 0.00 0.00 0.00 0.00 179.25 180.35 1p89 h ALA 105 N 1.01 0.82 0.00 0.00 0.00 -1.31 -1.58 119.26 118.21 1p89 h ALA 105 Ca -0.01 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.88 1p89 h ALA 105 Cb 1.20 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 18.84 1p89 h ALA 105 CO 0.11 0.07 -0.07 -0.07 0.00 0.00 0.00 179.25 179.30 1p89 h LEU 106 N 0.70 0.00 -0.70 0.00 3.38 -1.61 -2.97 115.31 114.10 1p89 h LEU 106 Ca 0.27 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.24 1p89 h LEU 106 Cb 0.10 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.85 1p89 h LEU 106 CO -0.14 0.07 0.05 0.00 0.09 0.00 0.00 178.44 178.51 1p89 s LEU 108 N -3.72 2.69 0.00 0.00 1.43 -1.12 0.71 118.68 118.67 1p89 s LEU 108 Ca -0.01 0.88 0.00 0.00 -1.03 0.00 0.00 54.13 53.97 1p89 s LEU 108 Cb 0.03 -3.50 0.00 0.00 0.03 0.00 0.00 46.19 42.75 1p89 s LEU 108 CO 0.10 -1.65 0.00 0.61 0.23 0.00 0.00 176.35 175.63 1p89 n GLY 109 N -3.15 1.72 3.15 -3.19 0.00 -1.26 -3.97 105.19 98.48 1p89 n GLY 109 Ca 0.07 0.48 0.04 0.00 0.00 0.00 0.00 46.02 46.62 1p89 n GLY 109 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1p89 s SER 110 N -4.00 -1.39 -0.01 1.61 1.04 -1.26 -0.40 113.70 109.28 1p89 s SER 110 Ca 0.00 0.32 0.00 0.00 0.48 0.00 0.00 55.95 56.75 1p89 s SER 110 Cb 0.00 1.95 0.01 0.00 0.10 0.00 0.00 66.02 68.08 1p89 s SER 110 CO 0.00 -0.26 -0.00 0.20 0.98 0.00 0.00 173.24 174.16 1p89 s ASN 111 N 2.86 0.20 -0.40 7.02 0.01 -1.25 -4.61 114.94 118.78 1p89 s ASN 111 Ca 0.14 -0.01 -0.13 0.00 -0.71 0.00 0.00 52.86 52.15 1p89 s ASN 111 Cb -0.10 -0.07 0.03 0.00 0.41 0.00 0.00 41.25 41.52 1p89 s ASN 111 CO -0.24 -0.03 0.25 -1.81 -1.51 0.00 0.00 177.10 173.76 1p89 s ASP 112 N 0.40 5.88 -0.04 -1.22 1.11 -0.56 -1.73 116.67 120.51 1p89 s ASP 112 Ca -0.04 -1.01 -0.04 0.00 0.18 0.00 0.00 52.55 51.64 1p89 s ASP 112 Cb -0.06 -2.08 0.01 0.00 1.07 0.00 0.00 42.92 41.87 1p89 s ASP 112 CO -0.01 -0.43 0.12 -0.63 1.18 0.00 0.00 175.17 175.40 1p89 s ILE 113 N 1.59 0.01 -0.29 0.77 1.09 -0.78 -0.23 121.20 123.36 1p89 s ILE 113 Ca 0.03 -0.06 -0.04 0.00 -1.10 0.00 0.00 60.65 59.48 1p89 s ILE 113 Cb -0.20 -0.20 0.03 0.00 -1.06 0.00 0.00 42.46 41.04 1p89 s ILE 113 CO 0.08 -0.04 0.02 -0.69 -0.10 0.00 0.00 174.94 174.21 1p89 s VAL 114 N -0.06 3.36 0.57 2.92 1.01 0.38 0.16 120.40 128.74 1p89 s VAL 114 Ca -0.01 -1.06 -0.12 0.00 0.00 0.00 0.00 61.98 60.80 1p89 s VAL 114 Cb -0.01 -2.81 -0.05 0.00 0.00 0.00 0.00 36.38 33.50 1p89 s VAL 114 CO 0.00 0.01 0.98 -0.76 0.00 0.00 0.00 175.10 175.34 1p89 s LEU 115 N 1.37 3.38 0.18 3.92 1.43 0.37 -0.89 118.68 128.44 1p89 s LEU 115 Ca -0.01 1.39 -0.23 0.00 -1.03 0.00 0.00 54.13 54.25 1p89 s LEU 115 Cb -0.18 -4.40 0.06 0.00 0.03 0.00 0.00 46.19 41.70 1p89 s LEU 115 CO -0.00 -0.76 0.67 -0.89 0.23 0.00 0.00 176.35 175.59 1p89 s THR 116 N -2.98 0.00 0.00 5.49 2.01 0.76 -2.80 115.64 118.12 1p89 s THR 116 Ca 0.55 -0.29 0.00 0.00 0.31 0.00 0.00 61.69 62.26 1p89 s THR 116 Cb -0.11 -1.30 0.00 0.00 0.01 0.00 0.00 72.50 71.11 1p89 s THR 116 CO 0.47 0.00 0.00 0.61 -0.69 0.00 0.00 174.62 175.01 1p89 n GLY 117 N -0.39 3.28 3.67 4.40 0.00 -1.26 0.91 105.19 115.80 1p89 n GLY 117 Ca -0.13 -1.15 -0.30 0.00 0.00 0.00 0.00 46.02 44.45 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 -0.62 -0.49 0.32 1.61 0.41 -1.08 -4.65 118.70 114.20 1p89 s GLU 118 Ca 0.00 0.00 -0.00 0.00 -0.41 0.00 0.00 54.97 54.56 1p89 s GLU 118 Cb 0.00 -1.68 0.51 0.00 -1.78 0.00 0.00 34.13 31.19 1p89 s GLU 118 CO 0.00 -3.24 1.97 -1.35 -0.49 0.00 0.00 175.26 172.15 1p89 h PRO 119 N -2.24 0.96 0.02 0.39 0.11 -2.01 -2.54 132.00 126.67 1p89 h PRO 119 Ca -0.47 -0.07 -0.24 0.00 0.11 0.00 0.00 66.00 65.32 1p89 h PRO 119 Cb 1.30 -0.21 0.01 0.00 0.11 0.00 0.00 31.00 32.21 1p89 h PRO 119 CO 0.41 0.66 -1.01 -0.09 -0.21 0.00 0.00 178.00 177.76 1p89 h ARG 120 N 0.98 0.48 -0.03 1.05 9.65 -1.95 -3.08 114.38 121.49 1p89 h ARG 120 Ca 0.26 -0.54 0.01 0.00 -1.10 0.00 0.00 59.98 58.60 1p89 h ARG 120 Cb -0.07 0.16 -0.00 0.00 -1.39 0.00 0.00 29.97 28.67 1p89 h ARG 120 CO -0.05 1.18 0.08 1.98 2.80 0.00 0.00 179.97 185.96 1p89 h MET 121 N 0.26 0.00 0.00 0.20 4.05 -1.72 -0.41 114.93 117.32 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 1.66 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 32.46 1p89 h MET 121 CO 0.18 0.00 0.00 1.63 0.23 0.00 0.00 176.91 178.95 1p89 n LYS 122 N -3.38 0.01 -0.55 0.39 4.76 -1.07 -1.73 118.16 116.59 1p89 n LYS 122 Ca -0.02 0.42 0.07 0.00 -2.87 0.00 0.00 58.31 55.91 1p89 n LYS 122 Cb 0.16 -1.53 0.19 0.00 -1.84 0.00 0.00 35.03 32.00 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 -1.56 1.44 -3.37 1.97 0.28 -0.16 -4.71 120.64 114.53 1p89 n GLU 123 Ca 0.01 -3.10 -0.45 0.00 -0.16 0.00 0.00 57.16 53.46 1p89 n GLU 123 Cb 0.07 -1.51 -0.04 0.00 1.43 0.00 0.00 31.44 31.39 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 -2.98 3.19 0.04 3.44 1.81 -0.71 -5.04 118.95 118.70 1p89 s ARG 124 Ca 0.36 -2.10 -0.37 0.00 -1.72 0.00 0.00 55.73 51.90 1p89 s ARG 124 Cb 0.35 -4.29 -0.17 0.00 -0.45 0.00 0.00 34.95 30.39 1p89 s ARG 124 CO -0.06 -1.29 1.36 -0.35 -0.68 0.00 0.00 175.30 174.28 1p89 n PRO 125 N 4.55 1.04 -1.63 3.54 -0.04 -1.19 -4.36 135.00 136.91 1p89 n PRO 125 Ca 0.00 0.38 0.03 0.00 -0.04 0.00 0.00 63.50 63.87 1p89 n PRO 125 Cb 0.43 -2.01 0.04 0.00 -0.04 0.00 0.00 33.50 31.92 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 2.63 0.36 -0.04 0.52 3.06 -0.70 -4.89 119.36 120.31 1p89 n ILE 126 Ca 0.19 -1.46 -0.14 0.00 -2.50 0.00 0.00 62.75 58.85 1p89 n ILE 126 Cb 0.17 0.93 -0.11 0.00 0.54 0.00 0.00 39.64 41.17 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 1.23 0.04 0.62 4.50 0.00 -1.90 -2.01 103.07 105.56 1p89 h GLY 127 Ca -0.19 -0.07 0.17 0.00 0.00 0.00 0.00 47.33 47.24 1p89 h GLY 127 CO 0.11 0.06 0.51 0.45 0.00 0.00 0.00 176.54 177.67 1p89 h HIS 128 N -0.69 0.34 0.13 5.60 3.86 -1.94 0.42 115.15 122.87 1p89 h HIS 128 Ca -0.01 0.01 -0.01 0.00 -1.16 0.00 0.00 60.37 59.21 1p89 h HIS 128 Cb 0.79 -0.11 0.00 0.00 1.06 0.00 0.00 27.41 29.15 1p89 h HIS 128 CO 0.18 0.12 -0.06 1.25 0.86 0.00 0.00 177.93 180.28 1p89 h LEU 129 N 0.28 -0.15 -1.93 2.43 5.85 -1.90 -3.10 115.31 116.79 1p89 h LEU 129 Ca 0.37 0.01 0.16 0.00 0.84 0.00 0.00 57.88 59.25 1p89 h LEU 129 Cb 1.03 0.04 -0.02 0.00 0.37 0.00 0.00 40.66 42.08 1p89 h LEU 129 CO -0.09 0.19 0.53 0.58 -0.34 0.00 0.00 178.44 179.30 1p89 h VAL 130 N -0.76 0.41 -0.11 1.05 2.07 -1.03 -1.25 116.25 116.63 1p89 h VAL 130 Ca -0.02 0.00 -0.09 0.00 0.82 0.00 0.00 66.70 67.41 1p89 h VAL 130 Cb 0.13 0.60 0.00 0.00 -1.52 0.00 0.00 31.29 30.50 1p89 h VAL 130 CO 0.03 0.00 -0.28 -0.78 0.02 0.00 0.00 177.57 176.56 1p89 h ASP 131 N 0.00 0.45 0.35 0.57 1.82 -0.24 -2.20 116.42 117.16 1p89 h ASP 131 Ca 0.26 -0.58 -0.02 0.00 -0.39 0.00 0.00 57.03 56.31 1p89 h ASP 131 Cb 1.31 -0.13 0.00 0.00 0.68 0.00 0.00 39.33 41.20 1p89 h ASP 131 CO -0.00 0.95 -0.17 0.00 -1.61 0.00 0.00 179.24 178.41 1p89 h ALA 132 N 0.51 -0.46 -0.64 -0.78 0.00 -1.15 -0.23 119.26 116.51 1p89 h ALA 132 Ca -0.00 -0.16 0.08 0.00 0.00 0.00 0.00 54.91 54.83 1p89 h ALA 132 Cb 0.89 0.18 -0.06 0.00 0.00 0.00 0.00 17.79 18.79 1p89 h ALA 132 CO 0.06 -0.67 0.30 -0.07 0.00 0.00 0.00 179.25 178.88 1p89 h LEU 133 N -0.66 0.39 -1.00 0.00 3.38 -1.61 0.25 115.31 116.06 1p89 h LEU 133 Ca -0.05 0.06 0.06 0.00 0.09 0.00 0.00 57.88 58.03 1p89 h LEU 133 Cb 0.47 -0.01 -0.06 0.00 0.09 0.00 0.00 40.66 41.15 1p89 h LEU 133 CO 0.08 0.24 0.65 0.03 0.09 0.00 0.00 178.44 179.52 1p89 h ARG 134 N 0.54 1.17 -0.22 1.13 3.08 -1.25 -0.28 114.38 118.54 1p89 h ARG 134 Ca 0.31 -0.07 -0.05 0.00 0.07 0.00 0.00 59.98 60.24 1p89 h ARG 134 Cb 0.31 -0.26 -0.01 0.00 0.08 0.00 0.00 29.97 30.08 1p89 h ARG 134 CO -0.25 0.77 -0.07 -0.07 -1.07 0.00 0.00 179.97 179.29 1p89 h LEU 135 N 1.20 0.32 -0.20 3.04 3.38 0.89 -1.83 115.31 122.11 1p89 h LEU 135 Ca 0.42 -0.06 0.00 0.00 0.09 0.00 0.00 57.88 58.33 1p89 h LEU 135 Cb 0.11 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 40.78 1p89 h LEU 135 CO -0.16 0.44 0.00 0.61 0.09 0.00 0.00 178.44 179.42 1p89 n GLY 136 N -0.91 -1.52 0.00 0.83 0.00 -0.26 -4.85 105.19 98.47 1p89 n GLY 136 Ca 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1p89 n GLY 136 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1p89 n GLY 137 N 0.88 0.44 3.78 -0.02 0.00 -0.69 -0.14 105.19 109.44 1p89 n GLY 137 Ca 0.05 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.72 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 -1.29 2.72 -0.44 4.61 0.00 -0.34 -3.07 121.76 123.94 1p89 s ALA 138 Ca 0.00 0.75 0.00 0.00 0.00 0.00 0.00 51.96 52.72 1p89 s ALA 138 Cb 0.00 -3.33 0.12 0.00 0.00 0.00 0.00 23.12 19.91 1p89 s ALA 138 CO 0.00 -0.70 0.20 0.15 0.00 0.00 0.00 175.76 175.41 1p89 s LYS 139 N -3.34 1.92 0.34 0.00 1.02 -0.43 -4.40 119.74 114.85 1p89 s LYS 139 Ca 0.71 -2.09 0.06 0.00 0.02 0.00 0.00 55.97 54.67 1p89 s LYS 139 Cb -0.22 -3.45 -0.07 0.00 -0.52 0.00 0.00 37.83 33.58 1p89 s LYS 139 CO 0.26 -1.05 0.00 0.42 -0.92 0.00 0.00 175.35 174.06 1p89 s ILE 140 N 0.62 1.63 0.30 2.17 1.01 -1.26 0.13 121.20 125.80 1p89 s ILE 140 Ca 0.12 -2.04 -0.08 0.00 0.00 0.00 0.00 60.65 58.64 1p89 s ILE 140 Cb -0.22 -2.77 0.00 0.00 0.01 0.00 0.00 42.46 39.49 1p89 s ILE 140 CO -0.05 -0.09 0.49 0.28 0.00 0.00 0.00 174.94 175.58 1p89 s THR 141 N -3.00 0.00 -0.30 2.92 -1.32 -0.64 -4.92 115.64 108.37 1p89 s THR 141 Ca 0.34 -1.48 0.00 0.00 -1.21 0.00 0.00 61.69 59.34 1p89 s THR 141 Cb 0.07 -2.47 0.06 0.00 -1.51 0.00 0.00 72.50 68.66 1p89 s THR 141 CO 0.16 0.00 -0.01 -0.31 -2.21 0.00 0.00 174.62 172.25 1p89 s TYR 142 N -3.45 3.35 -0.04 9.09 2.02 -1.26 -2.63 117.35 124.42 1p89 s TYR 142 Ca 0.26 -2.18 0.22 0.00 -0.37 0.00 0.00 57.07 55.00 1p89 s TYR 142 Cb -0.01 -2.26 0.60 0.00 -0.40 0.00 0.00 41.96 39.90 1p89 s TYR 142 CO 0.14 -0.86 1.69 -0.07 -1.57 0.00 0.00 175.55 174.88 1p89 h LEU 143 N 7.90 0.00 0.00 -1.29 -0.00 -1.84 -3.43 115.31 116.66 1p89 h LEU 143 Ca -0.18 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.70 1p89 h LEU 143 Cb 1.05 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.71 1p89 h LEU 143 CO 0.53 0.26 0.00 -0.62 -0.00 0.00 0.00 178.44 178.61 1p89 n GLU 144 N -3.28 0.00 -4.34 1.13 1.02 -1.26 -5.09 120.64 108.81 1p89 n GLU 144 Ca 0.01 0.00 -0.20 0.00 -0.02 0.00 0.00 57.16 56.95 1p89 n GLU 144 Cb 0.53 -0.06 -0.11 0.00 -0.02 0.00 0.00 31.44 31.78 1p89 n GLU 144 CO 0.00 0.00 0.00 -0.65 1.18 0.00 0.00 177.13 177.66 1p89 s GLN 145 N -1.24 1.32 0.08 3.49 -0.21 -1.26 -5.12 119.66 116.71 1p89 s GLN 145 Ca 0.00 -1.51 -0.30 0.00 0.02 0.00 0.00 55.36 53.56 1p89 s GLN 145 Cb 0.00 -1.24 -0.06 0.00 1.00 0.00 0.00 33.01 32.71 1p89 s GLN 145 CO 0.00 0.23 1.14 -1.21 -2.12 0.00 0.00 175.29 173.33 1p89 s GLU 146 N -3.25 4.49 -0.81 2.91 2.02 -1.26 -3.55 118.70 119.25 1p89 s GLU 146 Ca 0.20 1.71 -0.03 0.00 0.02 0.00 0.00 54.97 56.86 1p89 s GLU 146 Cb -0.03 -3.34 0.00 0.00 0.10 0.00 0.00 34.13 30.86 1p89 s GLU 146 CO 0.07 -0.15 0.69 0.09 0.02 0.00 0.00 175.26 175.99 1p89 n ASN 147 N 3.53 -3.59 -4.12 -0.19 3.02 -1.26 -4.89 115.26 107.76 1p89 n ASN 147 Ca 0.07 -0.36 -0.09 0.00 -0.03 0.00 0.00 54.58 54.17 1p89 n ASN 147 Cb 0.47 -3.37 -0.10 0.00 -0.61 0.00 0.00 39.78 36.17 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 -3.21 0.76 0.30 3.10 2.02 -1.23 -1.72 117.35 117.36 1p89 s TYR 148 Ca 0.21 -1.17 0.08 0.00 -0.37 0.00 0.00 57.07 55.82 1p89 s TYR 148 Cb -0.09 -0.43 0.87 0.00 -0.40 0.00 0.00 41.96 41.91 1p89 s TYR 148 CO 0.46 -0.50 1.39 -2.30 -1.57 0.00 0.00 175.55 173.03 1p89 n PRO 149 N -0.06 -0.06 -1.63 -1.71 -0.01 -1.26 -4.21 135.00 126.06 1p89 n PRO 149 Ca -0.07 1.29 -0.26 0.00 -0.01 0.00 0.00 63.50 64.45 1p89 n PRO 149 Cb 0.63 -2.14 -0.05 0.00 -0.01 0.00 0.00 33.50 31.93 1p89 n PRO 149 CO 0.00 0.00 0.00 -1.25 -0.01 0.00 0.00 175.50 174.24 1p89 s PRO 150 N -5.66 1.94 -0.08 0.52 0.04 -1.24 -3.67 135.00 126.85 1p89 s PRO 150 Ca -0.10 0.86 -0.00 0.00 0.04 0.00 0.00 61.00 61.80 1p89 s PRO 150 Cb 0.28 -4.69 0.02 0.00 0.04 0.00 0.00 34.50 30.15 1p89 s PRO 150 CO 0.69 -3.75 -0.05 -0.51 0.04 0.00 0.00 177.00 173.42 1p89 s LEU 151 N 13.00 1.08 -0.39 -3.56 1.43 -1.12 -2.30 118.68 126.82 1p89 s LEU 151 Ca 0.92 -0.19 -0.13 0.00 -1.03 0.00 0.00 54.13 53.69 1p89 s LEU 151 Cb -0.14 -0.63 0.02 0.00 0.03 0.00 0.00 46.19 45.47 1p89 s LEU 151 CO 0.16 -0.11 0.26 -0.60 0.23 0.00 0.00 176.35 176.29 1p89 s ARG 152 N 1.49 2.99 0.34 1.70 3.52 -1.08 0.14 118.95 128.06 1p89 s ARG 152 Ca -0.01 -0.99 -0.02 0.00 -0.13 0.00 0.00 55.73 54.58 1p89 s ARG 152 Cb -0.13 -3.86 -0.04 0.00 -1.56 0.00 0.00 34.95 29.36 1p89 s ARG 152 CO -0.04 -0.69 0.58 -0.51 -0.81 0.00 0.00 175.30 173.83 1p89 s LEU 153 N 1.64 3.98 0.00 -0.88 1.43 0.41 -1.63 118.68 123.63 1p89 s LEU 153 Ca 0.04 0.59 0.05 0.00 -1.03 0.00 0.00 54.13 53.78 1p89 s LEU 153 Cb -0.19 -3.44 0.08 0.00 0.03 0.00 0.00 46.19 42.67 1p89 s LEU 153 CO 0.09 -0.29 0.92 0.00 0.23 0.00 0.00 176.35 177.29 1p89 n GLN 154 N -1.57 0.00 0.00 1.70 6.02 0.34 -1.86 117.38 122.01 1p89 n GLN 154 Ca -0.03 -0.97 0.00 0.00 -0.01 0.00 0.00 57.00 55.99 1p89 n GLN 154 Cb 0.55 -0.21 0.00 0.00 1.02 0.00 0.00 30.24 31.61 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 0.10 -0.29 0.00 1.08 0.00 -1.04 -3.76 105.19 101.27 1p89 n GLY 155 Ca -0.01 -0.82 0.00 0.00 0.00 0.00 0.00 46.02 45.19 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 0.79 3.60 -0.02 0.00 0.46 -1.32 105.19 108.71 1p89 n GLY 156 Ca 0.00 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.59 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 1.36 -0.14 1.61 5.36 0.22 -3.86 117.98 120.53 1p89 s PHE 157 Ca 0.00 0.53 -0.07 0.00 -0.96 0.00 0.00 56.93 56.42 1p89 s PHE 157 Cb 0.00 -3.99 -0.06 0.00 -0.34 0.00 0.00 43.02 38.63 1p89 s PHE 157 CO 0.00 -3.82 -0.19 0.25 -1.46 0.00 0.00 175.22 170.00 1p89 n THR 158 N 7.55 0.84 -1.20 0.12 -2.24 -0.81 -4.31 114.28 114.24 1p89 n THR 158 Ca 0.27 -0.17 0.00 0.00 -2.27 0.00 0.00 64.05 61.88 1p89 n THR 158 Cb 0.45 -1.72 0.00 0.00 -2.10 0.00 0.00 70.33 66.96 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 2.10 0.49 0.00 3.38 0.00 0.80 0.11 105.19 112.07 1p89 n GLY 159 Ca -0.27 -1.66 0.00 0.00 0.00 0.00 0.00 46.02 44.08 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 2.27 3.72 -0.02 0.00 0.60 -4.29 105.19 107.47 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 -2.01 0.00 0.00 0.00 173.32 171.31 1p89 n ASN 161 N 0.00 4.01 -4.12 1.61 5.15 -1.26 -1.89 115.26 118.76 1p89 n ASN 161 Ca 0.00 1.06 -0.11 0.00 -0.60 0.00 0.00 54.58 54.93 1p89 n ASN 161 Cb 0.00 -1.58 -0.10 0.00 -0.53 0.00 0.00 39.78 37.57 1p89 n ASN 161 CO 0.00 0.00 0.00 -0.69 1.40 0.00 0.00 177.26 177.97 1p89 s VAL 162 N 1.27 0.57 -0.16 3.44 1.01 0.51 -4.83 120.40 122.21 1p89 s VAL 162 Ca 0.75 -1.65 -0.00 0.00 0.00 0.00 0.00 61.98 61.08 1p89 s VAL 162 Cb -0.50 -1.32 0.04 0.00 0.00 0.00 0.00 36.38 34.59 1p89 s VAL 162 CO 0.32 -0.75 -0.07 -1.81 0.00 0.00 0.00 175.10 172.79 1p89 s ASP 163 N -2.58 2.79 0.06 3.32 1.01 -1.26 0.74 116.67 120.75 1p89 s ASP 163 Ca 0.04 -0.61 0.09 0.00 0.71 0.00 0.00 52.55 52.78 1p89 s ASP 163 Cb 0.01 -0.98 -0.03 0.00 1.01 0.00 0.00 42.92 42.93 1p89 s ASP 163 CO -0.04 -0.15 -0.24 0.54 0.21 0.00 0.00 175.17 175.49 1p89 s VAL 164 N 1.59 2.38 -0.05 -1.27 0.11 0.13 -4.53 120.40 118.76 1p89 s VAL 164 Ca 0.02 -1.41 -0.25 0.00 -2.93 0.00 0.00 61.98 57.41 1p89 s VAL 164 Cb -0.15 -1.98 -0.04 0.00 -1.53 0.00 0.00 36.38 32.69 1p89 s VAL 164 CO -0.08 0.30 0.76 -0.62 -3.33 0.00 0.00 175.10 172.13 1p89 s ASP 165 N -1.49 7.08 0.03 3.54 -1.08 -1.26 0.29 116.67 123.78 1p89 s ASP 165 Ca 0.13 1.31 -0.20 0.00 -0.52 0.00 0.00 52.55 53.27 1p89 s ASP 165 Cb -0.10 -2.45 -0.17 0.00 -1.46 0.00 0.00 42.92 38.74 1p89 s ASP 165 CO 0.04 -0.14 1.25 1.23 0.52 0.00 0.00 175.17 178.08 1p89 h GLY 166 N 6.70 0.44 -2.21 2.66 0.00 -1.73 -3.43 103.07 105.49 1p89 h GLY 166 Ca -0.41 -0.55 -0.53 0.00 0.00 0.00 0.00 47.33 45.84 1p89 h GLY 166 CO 0.75 0.49 -1.06 1.44 0.00 0.00 0.00 176.54 178.17 1p89 n SER 167 N -4.42 -3.31 -2.22 0.19 7.64 -0.83 -3.37 113.62 107.31 1p89 n SER 167 Ca -0.07 0.24 -0.06 0.00 1.01 0.00 0.00 58.87 59.99 1p89 n SER 167 Cb 0.48 -1.04 0.03 0.00 -1.01 0.00 0.00 64.21 62.67 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 -3.33 -4.33 -1.50 0.44 0.31 -1.26 -4.85 118.33 103.81 1p89 n VAL 168 Ca 0.03 -0.55 0.07 0.00 -0.01 0.00 0.00 64.34 63.89 1p89 n VAL 168 Cb 0.56 -4.43 -0.04 0.00 -0.91 0.00 0.00 33.84 29.02 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 -2.20 -8.12 -0.15 4.52 7.64 -1.26 -4.51 113.62 109.54 1p89 n SER 169 Ca -0.03 1.70 0.13 0.00 1.01 0.00 0.00 58.87 61.68 1p89 n SER 169 Cb 0.55 -4.98 0.69 0.00 -1.01 0.00 0.00 64.21 59.46 1p89 n SER 169 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 1p89 n SER 170 N -3.30 0.45 0.32 6.43 2.88 -1.26 -3.81 113.62 115.32 1p89 n SER 170 Ca -0.04 -1.30 0.19 0.00 -1.33 0.00 0.00 58.87 56.40 1p89 n SER 170 Cb 0.56 -0.01 1.00 0.00 -0.75 0.00 0.00 64.21 65.01 1p89 n SER 170 CO 0.00 0.00 0.00 1.56 -1.23 0.00 0.00 175.04 175.37 1p89 h GLN 171 N 0.66 0.00 0.34 -1.46 1.08 -1.90 0.85 115.11 114.68 1p89 h GLN 171 Ca 0.00 0.00 -0.02 0.00 -1.45 0.00 0.00 58.65 57.18 1p89 h GLN 171 Cb 0.14 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.57 1p89 h GLN 171 CO 0.00 0.00 -0.16 0.74 -0.95 0.00 0.00 178.83 178.46 1p89 h PHE 172 N 0.00 -0.42 -0.15 2.96 -1.00 -1.81 -2.12 116.94 114.40 1p89 h PHE 172 Ca 0.01 -0.01 -0.11 0.00 2.81 0.00 0.00 57.97 60.68 1p89 h PHE 172 Cb 0.34 0.14 -0.01 0.00 3.61 0.00 0.00 35.95 40.02 1p89 h PHE 172 CO 0.00 -0.26 -0.39 1.25 -1.61 0.00 0.00 178.31 177.30 1p89 h LEU 173 N -0.94 0.34 -1.65 1.54 5.85 -1.73 -2.41 115.31 116.32 1p89 h LEU 173 Ca -0.05 -0.14 0.01 0.00 0.84 0.00 0.00 57.88 58.54 1p89 h LEU 173 Cb 0.35 -0.09 -0.02 0.00 0.37 0.00 0.00 40.66 41.26 1p89 h LEU 173 CO 0.08 0.70 0.25 0.74 -0.34 0.00 0.00 178.44 179.87 1p89 h THR 174 N 0.28 1.08 -0.13 1.05 2.02 0.63 0.44 112.91 118.28 1p89 h THR 174 Ca 0.03 -0.17 -0.10 0.00 0.77 0.00 0.00 66.41 66.95 1p89 h THR 174 Cb 0.81 0.56 0.00 0.00 -1.74 0.00 0.00 68.15 67.77 1p89 h THR 174 CO 0.06 0.09 -0.29 0.00 0.37 0.00 0.00 175.52 175.75 1p89 h ALA 175 N 1.77 0.21 -0.02 6.16 0.00 -0.87 -2.90 119.26 123.61 1p89 h ALA 175 Ca 0.14 -0.41 -0.14 0.00 0.00 0.00 0.00 54.91 54.50 1p89 h ALA 175 Cb -0.02 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 17.72 1p89 h ALA 175 CO -0.03 0.23 -0.65 -0.07 0.00 0.00 0.00 179.25 178.73 1p89 h LEU 176 N 0.03 0.11 -1.45 0.00 3.38 -1.24 0.54 115.31 116.69 1p89 h LEU 176 Ca 0.00 -0.07 -0.06 0.00 0.09 0.00 0.00 57.88 57.85 1p89 h LEU 176 Cb 0.89 -0.03 -0.01 0.00 0.09 0.00 0.00 40.66 41.60 1p89 h LEU 176 CO 0.06 0.73 -0.28 -0.07 0.09 0.00 0.00 178.44 178.98 1p89 h LEU 177 N 0.07 0.00 0.00 1.67 3.38 -0.13 0.94 115.31 121.24 1p89 h LEU 177 Ca -0.01 0.00 -0.34 0.00 0.09 0.00 0.00 57.88 57.62 1p89 h LEU 177 Cb 1.16 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 41.85 1p89 h LEU 177 CO 0.09 0.28 -2.28 0.23 0.09 0.00 0.00 178.44 176.85 1p89 n MET 178 N -3.94 0.68 0.00 1.13 0.00 -1.10 -4.10 117.12 109.80 1p89 n MET 178 Ca -0.02 0.02 -0.19 0.00 0.00 0.00 0.00 57.70 57.51 1p89 n MET 178 Cb 0.35 -1.56 -0.14 0.00 0.00 0.00 0.00 33.22 31.88 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 1.46 -0.91 2.03 2.02 -0.78 -3.37 112.91 113.36 1p89 h THR 179 Ca -0.49 -2.44 0.01 0.00 0.77 0.00 0.00 66.41 64.26 1p89 h THR 179 Cb 2.15 3.10 -0.04 0.00 -1.74 0.00 0.00 68.15 71.61 1p89 h THR 179 CO 0.03 0.66 0.59 0.00 0.37 0.00 0.00 175.52 177.18 1p89 h ALA 180 N -0.00 1.15 -0.81 6.16 0.00 0.73 -2.61 119.26 123.89 1p89 h ALA 180 Ca -0.15 -0.07 0.14 0.00 0.00 0.00 0.00 54.91 54.83 1p89 h ALA 180 Cb 1.48 -0.37 -0.06 0.00 0.00 0.00 0.00 17.79 18.84 1p89 h ALA 180 CO 0.07 0.57 0.53 -1.00 0.00 0.00 0.00 179.25 179.42 1p89 h PRO 181 N 1.24 0.53 0.00 0.00 0.13 -1.71 0.18 132.00 132.37 1p89 h PRO 181 Ca 0.33 -0.03 0.00 0.00 -0.87 0.00 0.00 66.00 65.43 1p89 h PRO 181 Cb -0.13 -0.12 0.00 0.00 0.13 0.00 0.00 31.00 30.88 1p89 h PRO 181 CO -0.07 0.35 -0.29 1.28 -0.23 0.00 0.00 178.00 179.04 1p89 n LEU 182 N -4.51 0.43 -4.68 1.56 4.77 -1.01 0.97 117.00 114.52 1p89 n LEU 182 Ca 0.15 0.29 -0.42 0.00 -0.03 0.00 0.00 56.01 56.01 1p89 n LEU 182 Cb 0.49 -0.33 -0.03 0.00 -2.33 0.00 0.00 43.42 41.22 1p89 n LEU 182 CO 0.31 0.00 1.46 0.00 -1.33 0.00 0.00 177.39 177.83 1p89 s ALA 183 N -3.05 3.71 0.49 -1.18 0.00 0.64 -4.00 121.76 118.38 1p89 s ALA 183 Ca 0.11 1.36 0.35 0.00 0.00 0.00 0.00 51.96 53.78 1p89 s ALA 183 Cb 0.16 -3.76 1.50 0.00 0.00 0.00 0.00 23.12 21.02 1p89 s ALA 183 CO 0.63 -1.26 1.68 -1.00 0.00 0.00 0.00 175.76 175.82 1p89 h PRO 184 N 8.87 0.08 -6.14 0.00 0.13 -1.74 1.13 132.00 134.33 1p89 h PRO 184 Ca -0.46 -0.00 -0.57 0.00 -0.87 0.00 0.00 66.00 64.10 1p89 h PRO 184 Cb 1.22 -0.02 -0.06 0.00 0.13 0.00 0.00 31.00 32.27 1p89 h PRO 184 CO 0.94 0.05 -0.53 -1.21 -0.23 0.00 0.00 178.00 177.02 1p89 s GLU 185 N -5.12 3.08 -0.01 0.86 2.02 0.30 -3.73 118.70 116.10 1p89 s GLU 185 Ca -0.06 -0.77 -0.30 0.00 0.02 0.00 0.00 54.97 53.85 1p89 s GLU 185 Cb 0.27 -2.75 -0.06 0.00 0.10 0.00 0.00 34.13 31.68 1p89 s GLU 185 CO 0.83 0.50 1.59 0.34 0.02 0.00 0.00 175.26 178.54 1p89 s ASP 186 N -3.11 6.70 -0.11 -0.19 -1.08 -1.26 -3.78 116.67 113.84 1p89 s ASP 186 Ca 0.32 2.26 -0.02 0.00 -0.52 0.00 0.00 52.55 54.59 1p89 s ASP 186 Cb -0.10 -2.55 -0.03 0.00 -1.46 0.00 0.00 42.92 38.78 1p89 s ASP 186 CO 0.25 -0.86 -0.01 -0.89 0.52 0.00 0.00 175.17 174.17 1p89 s THR 187 N 3.27 4.16 -0.35 1.71 2.01 -0.77 -0.29 115.64 125.38 1p89 s THR 187 Ca 0.71 -0.29 0.02 0.00 0.31 0.00 0.00 61.69 62.44 1p89 s THR 187 Cb -0.34 -2.77 0.11 0.00 0.01 0.00 0.00 72.50 69.50 1p89 s THR 187 CO 0.29 0.56 0.11 -0.69 -0.69 0.00 0.00 174.62 174.20 1p89 s VAL 188 N -0.42 1.57 0.14 3.82 1.01 -0.79 0.04 120.40 125.77 1p89 s VAL 188 Ca 0.07 -2.03 -0.16 0.00 0.00 0.00 0.00 61.98 59.86 1p89 s VAL 188 Cb -0.12 -2.16 -0.07 0.00 0.00 0.00 0.00 36.38 34.03 1p89 s VAL 188 CO 0.02 -0.69 0.58 -0.63 0.00 0.00 0.00 175.10 174.38 1p89 s ILE 189 N 1.05 4.79 0.42 2.22 1.01 -0.71 0.19 121.20 130.18 1p89 s ILE 189 Ca 0.12 0.97 0.07 0.00 0.00 0.00 0.00 60.65 61.81 1p89 s ILE 189 Cb -0.19 -3.78 -0.05 0.00 0.01 0.00 0.00 42.46 38.44 1p89 s ILE 189 CO -0.14 0.30 0.16 0.00 0.00 0.00 0.00 174.94 175.27 1p89 s ARG 190 N -1.79 2.20 -0.51 2.79 1.70 0.23 0.30 118.95 123.87 1p89 s ARG 190 Ca 0.37 -1.90 -0.05 0.00 -0.47 0.00 0.00 55.73 53.68 1p89 s ARG 190 Cb -0.16 -1.93 0.13 0.00 -0.57 0.00 0.00 34.95 32.42 1p89 s ARG 190 CO 0.19 -0.14 0.34 0.42 -1.08 0.00 0.00 175.30 175.03 1p89 s ILE 191 N -2.63 3.72 0.00 4.99 -1.09 0.66 0.17 121.20 127.02 1p89 s ILE 191 Ca 0.39 -2.32 0.00 0.00 -2.23 0.00 0.00 60.65 56.49 1p89 s ILE 191 Cb 0.04 -3.47 0.00 0.00 -1.58 0.00 0.00 42.46 37.45 1p89 s ILE 191 CO 0.21 -0.79 0.45 0.29 -1.23 0.00 0.00 174.94 173.88 1p89 n LYS 192 N 4.27 0.00 -1.98 2.79 5.02 0.14 -4.82 118.16 123.58 1p89 n LYS 192 Ca 0.01 0.02 -0.29 0.00 -2.02 0.00 0.00 58.31 56.03 1p89 n LYS 192 Cb 0.40 -0.95 0.06 0.00 -0.02 0.00 0.00 35.03 34.52 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 1.62 0.11 0.72 0.00 -1.26 -4.89 107.32 103.62 1p89 s GLY 193 Ca 0.00 -0.56 -0.32 0.00 0.00 0.00 0.00 44.72 43.84 1p89 s GLY 193 CO 0.00 -0.15 1.77 1.22 0.00 0.00 0.00 173.10 175.94 1p89 n ASP 194 N -3.07 3.75 -4.76 1.64 9.92 -1.26 -2.92 116.55 119.85 1p89 n ASP 194 Ca 0.07 1.02 -0.39 0.00 -0.53 0.00 0.00 54.79 54.96 1p89 n ASP 194 Cb 0.59 -1.50 0.02 0.00 -0.64 0.00 0.00 41.12 39.59 1p89 n ASP 194 CO 0.00 0.00 0.00 -0.22 0.13 0.00 0.00 177.20 177.11 1p89 s LEU 195 N 2.31 4.03 -0.02 0.64 2.96 -1.26 -1.96 118.68 125.37 1p89 s LEU 195 Ca 0.82 2.82 0.21 0.00 -0.22 0.00 0.00 54.13 57.76 1p89 s LEU 195 Cb -0.56 -4.05 -0.31 0.00 0.50 0.00 0.00 46.19 41.77 1p89 s LEU 195 CO 0.39 -1.27 0.55 0.55 -1.32 0.00 0.00 176.35 175.25 1p89 n VAL 196 N -0.45 0.00 -2.55 1.68 3.14 -1.22 -4.44 118.33 114.49 1p89 n VAL 196 Ca 0.07 -0.39 -0.15 0.00 -2.96 0.00 0.00 64.34 60.91 1p89 n VAL 196 Cb 0.43 0.21 0.02 0.00 -1.06 0.00 0.00 33.84 33.45 1p89 n VAL 196 CO 0.00 0.00 0.00 -0.24 -6.46 0.00 0.00 176.83 170.13 1p89 n SER 197 N -2.09 2.88 -0.42 6.55 2.88 -1.26 -4.90 113.62 117.27 1p89 n SER 197 Ca -0.02 -3.01 -0.10 0.00 -1.33 0.00 0.00 58.87 54.40 1p89 n SER 197 Cb 0.51 -0.47 -0.09 0.00 -0.75 0.00 0.00 64.21 63.40 1p89 n SER 197 CO 0.00 0.00 0.00 1.17 -1.23 0.00 0.00 175.04 174.98 1p89 n LYS 198 N -0.37 -0.43 0.16 -1.46 4.81 -1.26 0.24 118.16 119.86 1p89 n LYS 198 Ca 0.22 1.51 0.13 0.00 -0.87 0.00 0.00 58.31 59.31 1p89 n LYS 198 Cb 0.79 -2.22 0.52 0.00 0.02 0.00 0.00 35.03 34.14 1p89 n LYS 198 CO 0.00 0.00 0.00 -1.00 1.17 0.00 0.00 177.40 177.57 1p89 h PRO 199 N 0.00 0.00 0.00 1.64 0.13 -1.98 -2.72 132.00 129.07 1p89 h PRO 199 Ca 0.17 0.00 -0.16 0.00 -0.87 0.00 0.00 66.00 65.15 1p89 h PRO 199 Cb 0.42 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 31.53 1p89 h PRO 199 CO -0.94 0.00 -0.75 1.88 -0.23 0.00 0.00 178.00 177.96 1p89 h TYR 200 N 0.00 0.00 -0.05 1.56 -1.99 -0.60 -3.18 116.97 112.70 1p89 h TYR 200 Ca 0.00 0.00 -0.11 0.00 2.00 0.00 0.00 58.73 60.62 1p89 h TYR 200 Cb 0.45 0.00 -0.01 0.00 2.00 0.00 0.00 36.73 39.17 1p89 h TYR 200 CO 0.00 0.75 -0.48 0.97 -0.00 0.00 0.00 178.16 179.39 1p89 h ILE 201 N 0.00 1.35 -0.18 -2.88 6.09 -0.73 -2.53 117.51 118.62 1p89 h ILE 201 Ca -0.01 -1.69 -0.03 0.00 -1.37 0.00 0.00 64.86 61.76 1p89 h ILE 201 Cb 1.54 1.85 -0.01 0.00 0.47 0.00 0.00 36.82 40.66 1p89 h ILE 201 CO 0.10 0.49 -0.04 -0.78 -3.07 0.00 0.00 178.15 174.85 1p89 h ASP 202 N 0.11 0.25 0.29 2.19 3.58 -1.60 -0.98 116.42 120.25 1p89 h ASP 202 Ca 0.00 -0.04 -0.09 0.00 0.42 0.00 0.00 57.03 57.33 1p89 h ASP 202 Cb 0.90 -0.06 -0.01 0.00 1.72 0.00 0.00 39.33 41.87 1p89 h ASP 202 CO 0.07 0.33 -0.36 0.40 -2.88 0.00 0.00 179.24 176.80 1p89 h ILE 203 N 0.26 1.28 0.23 2.25 2.04 -1.53 0.12 117.51 122.16 1p89 h ILE 203 Ca 0.06 -1.33 -0.01 0.00 1.00 0.00 0.00 64.86 64.58 1p89 h ILE 203 Cb 0.25 1.64 0.00 0.00 -0.74 0.00 0.00 36.82 37.98 1p89 h ILE 203 CO 0.01 0.39 -0.11 0.74 0.00 0.00 0.00 178.15 179.18 1p89 h THR 204 N 0.10 0.79 -0.16 -0.27 2.02 -1.10 0.37 112.91 114.66 1p89 h THR 204 Ca 0.01 -0.07 -0.15 0.00 0.77 0.00 0.00 66.41 66.97 1p89 h THR 204 Cb 0.69 0.83 -0.01 0.00 -1.74 0.00 0.00 68.15 67.93 1p89 h THR 204 CO 0.05 0.02 -0.53 -0.07 0.37 0.00 0.00 175.52 175.36 1p89 h LEU 205 N -0.34 0.51 -1.55 2.58 3.38 -1.40 -0.59 115.31 117.90 1p89 h LEU 205 Ca -0.03 -0.26 -0.04 0.00 0.09 0.00 0.00 57.88 57.63 1p89 h LEU 205 Cb 0.26 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 40.86 1p89 h LEU 205 CO 0.05 0.94 -0.16 -1.13 0.09 0.00 0.00 178.44 178.23 1p89 h ASN 206 N 0.36 0.08 0.04 -0.43 -1.24 -0.49 0.45 115.58 114.34 1p89 h ASN 206 Ca 0.01 -0.01 -0.20 0.00 0.71 0.00 0.00 56.30 56.80 1p89 h ASN 206 Cb 1.05 -0.02 0.02 0.00 0.73 0.00 0.00 38.32 40.09 1p89 h ASN 206 CO 0.09 0.25 -0.82 -0.07 -1.29 0.00 0.00 177.43 175.60 1p89 h LEU 207 N 0.08 0.66 -0.28 0.34 -0.00 0.11 -2.81 115.31 113.40 1p89 h LEU 207 Ca 0.02 -0.79 -0.03 0.00 -0.00 0.00 0.00 57.88 57.08 1p89 h LEU 207 Cb 0.34 -0.20 -0.01 0.00 -0.00 0.00 0.00 40.66 40.78 1p89 h LEU 207 CO 0.02 1.37 0.06 0.24 -0.00 0.00 0.00 178.44 180.13 1p89 h MET 208 N 0.02 0.46 -0.57 1.13 2.86 -0.49 -2.61 114.93 115.72 1p89 h MET 208 Ca -0.11 -0.12 0.00 0.00 -2.06 0.00 0.00 59.70 57.41 1p89 h MET 208 Cb 1.52 -0.06 -0.03 0.00 0.06 0.00 0.00 31.60 33.10 1p89 h MET 208 CO 0.16 0.56 0.36 1.57 1.06 0.00 0.00 176.91 180.62 1p89 h LYS 209 N 0.29 0.77 -0.35 1.72 2.10 0.18 -0.73 116.57 120.55 1p89 h LYS 209 Ca 0.09 -0.06 0.06 0.00 -2.00 0.00 0.00 60.65 58.74 1p89 h LYS 209 Cb 0.31 -0.17 -0.02 0.00 -0.90 0.00 0.00 32.23 31.46 1p89 h LYS 209 CO 0.00 0.53 0.24 0.00 -2.00 0.00 0.00 179.45 178.22 1p89 h THR 210 N 0.77 0.93 0.06 0.07 1.03 -1.40 -2.36 112.91 112.02 1p89 h THR 210 Ca 0.21 -0.07 -0.00 0.00 -0.01 0.00 0.00 66.41 66.53 1p89 h THR 210 Cb -0.05 0.71 0.00 0.00 -1.07 0.00 0.00 68.15 67.73 1p89 h THR 210 CO -0.04 0.04 -0.03 -0.26 -0.01 0.00 0.00 175.52 175.22 1p89 h PHE 211 N 0.21 -0.08 0.00 0.00 -1.00 -0.83 -3.44 116.94 111.80 1p89 h PHE 211 Ca 0.15 -0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.93 1p89 h PHE 211 Cb 0.35 0.03 0.00 0.00 3.61 0.00 0.00 35.95 39.94 1p89 h PHE 211 CO -0.00 0.45 0.00 0.41 -1.61 0.00 0.00 178.31 177.56 1p89 n GLY 212 N 0.49 -0.02 3.30 -1.45 0.00 -0.40 -3.06 105.19 104.04 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 2.02 0.12 1.61 1.01 -0.73 -4.83 120.40 119.60 1p89 s VAL 213 Ca 0.00 -1.08 0.05 0.00 0.00 0.00 0.00 61.98 60.94 1p89 s VAL 213 Cb 0.00 -1.68 -0.04 0.00 0.00 0.00 0.00 36.38 34.66 1p89 s VAL 213 CO 0.00 0.57 -0.12 -1.61 0.00 0.00 0.00 175.10 173.94 1p89 s GLU 214 N -0.52 0.98 0.41 2.72 2.02 -1.26 -0.92 118.70 122.13 1p89 s GLU 214 Ca 0.07 -1.27 0.04 0.00 0.02 0.00 0.00 54.97 53.83 1p89 s GLU 214 Cb -0.11 -0.71 -0.03 0.00 0.10 0.00 0.00 34.13 33.39 1p89 s GLU 214 CO -0.00 0.12 0.11 0.96 0.02 0.00 0.00 175.26 176.47 1p89 s ILE 215 N -2.55 0.69 -0.18 -1.63 -5.25 -1.26 -4.47 121.20 106.56 1p89 s ILE 215 Ca 0.10 -2.00 -0.18 0.00 -0.99 0.00 0.00 60.65 57.58 1p89 s ILE 215 Cb -0.02 -2.38 -0.04 0.00 2.95 0.00 0.00 42.46 42.97 1p89 s ILE 215 CO 0.01 0.00 0.48 -0.70 -1.79 0.00 0.00 174.94 172.94 1p89 s GLU 216 N -3.74 4.23 -0.53 0.37 2.12 0.40 -4.99 118.70 116.57 1p89 s GLU 216 Ca 0.24 0.37 -0.14 0.00 0.36 0.00 0.00 54.97 55.80 1p89 s GLU 216 Cb 0.03 -3.52 0.13 0.00 0.26 0.00 0.00 34.13 31.03 1p89 s GLU 216 CO 0.14 -0.03 0.47 1.21 -0.54 0.00 0.00 175.26 176.51 1p89 s ASN 217 N 0.96 6.07 0.64 -1.70 3.84 -1.26 -1.49 114.94 122.00 1p89 s ASN 217 Ca 0.23 -1.86 0.00 0.00 0.21 0.00 0.00 52.86 51.45 1p89 s ASN 217 Cb -0.15 -2.15 0.00 0.00 -0.55 0.00 0.00 41.25 38.39 1p89 s ASN 217 CO 0.09 -0.80 0.00 0.00 -2.79 0.00 0.00 177.10 173.60 1p89 n GLN 218 N 5.11 -0.47 -0.68 0.43 1.13 -0.94 -4.74 117.38 117.22 1p89 n GLN 218 Ca -0.11 0.00 -0.08 0.00 -1.94 0.00 0.00 57.00 54.87 1p89 n GLN 218 Cb 0.40 0.00 -0.11 0.00 0.11 0.00 0.00 30.24 30.64 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 -1.93 0.00 -1.51 1.08 8.25 -1.26 -4.51 115.22 115.34 1p89 n HIS 219 Ca 0.00 -1.04 -0.18 0.00 -0.26 0.00 0.00 57.72 56.24 1p89 n HIS 219 Cb 0.00 -1.19 -0.07 0.00 1.12 0.00 0.00 29.99 29.85 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 2.56 -0.17 -0.02 4.41 4.01 -1.26 -4.74 117.16 121.95 1p89 n TYR 220 Ca 0.28 0.00 0.01 0.00 -0.16 0.00 0.00 57.90 58.03 1p89 n TYR 220 Cb 0.63 -3.09 -0.07 0.00 -0.31 0.00 0.00 39.34 36.50 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 -2.16 1.27 -3.79 -0.72 6.02 -1.26 -4.80 117.38 111.92 1p89 n GLN 221 Ca -0.18 -0.05 -0.13 0.00 -0.01 0.00 0.00 57.00 56.64 1p89 n GLN 221 Cb 0.58 -1.22 -0.11 0.00 1.02 0.00 0.00 30.24 30.51 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 -2.45 0.30 -0.51 -1.09 -0.21 -1.26 0.24 119.66 114.68 1p89 s GLN 222 Ca -0.04 0.27 -0.04 0.00 0.02 0.00 0.00 55.36 55.57 1p89 s GLN 222 Cb 0.04 0.15 0.13 0.00 1.00 0.00 0.00 33.01 34.33 1p89 s GLN 222 CO 0.37 -0.04 0.34 -0.06 -2.12 0.00 0.00 175.29 173.77 1p89 s PHE 223 N -0.01 3.50 -0.44 0.91 0.40 0.89 -2.21 117.98 121.01 1p89 s PHE 223 Ca -0.01 -2.42 -0.24 0.00 -0.60 0.00 0.00 56.93 53.65 1p89 s PHE 223 Cb -0.02 -3.29 0.02 0.00 0.51 0.00 0.00 43.02 40.25 1p89 s PHE 223 CO 0.01 -0.93 0.87 0.08 0.70 0.00 0.00 175.22 175.94 1p89 s VAL 224 N 0.70 4.56 -0.26 -0.44 1.01 -0.56 -1.73 120.40 123.69 1p89 s VAL 224 Ca 0.11 0.68 -0.09 0.00 0.00 0.00 0.00 61.98 62.69 1p89 s VAL 224 Cb -0.22 -4.37 -0.04 0.00 0.00 0.00 0.00 36.38 31.75 1p89 s VAL 224 CO -0.03 -0.74 0.13 0.68 0.00 0.00 0.00 175.10 175.13 1p89 s VAL 225 N 3.52 4.82 -0.19 2.92 -7.23 0.11 0.15 120.40 124.50 1p89 s VAL 225 Ca 0.34 0.00 -0.29 0.00 -1.81 0.00 0.00 61.98 60.23 1p89 s VAL 225 Cb -0.11 -3.27 -0.05 0.00 0.56 0.00 0.00 36.38 33.51 1p89 s VAL 225 CO 0.24 0.31 2.01 -0.54 -0.31 0.00 0.00 175.10 176.81 1p89 s LYS 226 N 1.59 3.45 0.61 4.82 3.01 -1.26 -1.85 119.74 130.11 1p89 s LYS 226 Ca 0.06 1.98 -0.18 0.00 -1.01 0.00 0.00 55.97 56.83 1p89 s LYS 226 Cb -0.15 -4.26 -0.03 0.00 -1.01 0.00 0.00 37.83 32.39 1p89 s LYS 226 CO 0.07 -1.74 1.18 0.20 0.51 0.00 0.00 175.35 175.57 1p89 s GLY 227 N 6.62 2.58 0.00 -3.33 0.00 -1.25 -3.67 107.32 108.27 1p89 s GLY 227 Ca 0.91 0.88 0.00 0.00 0.00 0.00 0.00 44.72 46.51 1p89 s GLY 227 CO 0.35 1.26 0.00 0.61 0.00 0.00 0.00 173.10 175.32 1p89 n GLY 228 N 0.26 0.77 2.00 0.20 0.00 0.39 -4.67 105.19 104.14 1p89 n GLY 228 Ca 0.13 -0.03 -0.16 0.00 0.00 0.00 0.00 46.02 45.95 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 -2.46 -1.70 -3.15 1.61 1.13 0.27 -4.94 117.38 108.14 1p89 n GLN 229 Ca 0.00 -1.02 0.06 0.00 -1.94 0.00 0.00 57.00 54.09 1p89 n GLN 229 Cb 0.00 -0.86 -0.01 0.00 0.11 0.00 0.00 30.24 29.49 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 -3.32 -0.27 0.68 1.08 0.01 -1.26 -4.41 113.70 106.22 1p89 s SER 230 Ca 0.40 0.07 -0.17 0.00 1.31 0.00 0.00 55.95 57.56 1p89 s SER 230 Cb -0.03 1.18 -0.02 0.00 0.21 0.00 0.00 66.02 67.36 1p89 s SER 230 CO 0.30 -0.05 0.86 -1.22 0.41 0.00 0.00 173.24 173.54 1p89 n TYR 231 N 5.21 0.36 -4.38 2.43 4.01 -1.25 -4.75 117.16 118.78 1p89 n TYR 231 Ca 0.04 0.40 -0.25 0.00 -0.16 0.00 0.00 57.90 57.93 1p89 n TYR 231 Cb 0.57 -2.06 -0.12 0.00 -0.31 0.00 0.00 39.34 37.43 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 -3.02 1.40 -0.47 -0.72 -2.07 -1.17 0.38 119.66 113.98 1p89 s GLN 232 Ca 0.73 -1.46 -0.27 0.00 -1.82 0.00 0.00 55.36 52.54 1p89 s GLN 232 Cb -0.37 -1.63 -0.04 0.00 -1.09 0.00 0.00 33.01 29.88 1p89 s GLN 232 CO 0.51 0.35 2.08 0.45 -1.32 0.00 0.00 175.29 177.36 1p89 s SER 233 N -2.61 5.10 0.28 12.60 0.15 -1.02 -4.45 113.70 123.75 1p89 s SER 233 Ca 0.18 0.95 0.05 0.00 0.70 0.00 0.00 55.95 57.83 1p89 s SER 233 Cb -0.07 -2.52 0.41 0.00 -1.71 0.00 0.00 66.02 62.13 1p89 s SER 233 CO 0.08 -2.39 1.68 1.55 1.20 0.00 0.00 173.24 175.36 1p89 h PRO 234 N 16.25 0.31 0.00 5.44 0.13 -1.85 -3.49 132.00 148.79 1p89 h PRO 234 Ca -0.28 -0.15 0.00 0.00 -0.87 0.00 0.00 66.00 64.70 1p89 h PRO 234 Cb 1.21 -0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.34 1p89 h PRO 234 CO 1.13 0.66 0.00 0.41 -0.23 0.00 0.00 178.00 179.98 1p89 n GLY 235 N -0.17 0.17 3.59 1.56 0.00 -1.26 -4.98 105.19 104.10 1p89 n GLY 235 Ca -0.01 -1.31 -0.41 0.00 0.00 0.00 0.00 46.02 44.28 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 0.04 2.61 2.01 -1.26 0.12 115.64 124.13 1p89 s THR 236 Ca 0.00 0.76 0.08 0.00 0.31 0.00 0.00 61.69 62.84 1p89 s THR 236 Cb 0.00 -3.96 -0.03 0.00 0.01 0.00 0.00 72.50 68.52 1p89 s THR 236 CO 0.00 -0.11 -0.23 -0.47 -0.69 0.00 0.00 174.62 173.12 1p89 s TYR 237 N 2.51 2.02 -0.31 4.92 5.04 0.14 -4.93 117.35 126.74 1p89 s TYR 237 Ca 0.23 -0.39 -0.12 0.00 -2.44 0.00 0.00 57.07 54.35 1p89 s TYR 237 Cb -0.15 -1.21 -0.03 0.00 0.35 0.00 0.00 41.96 40.92 1p89 s TYR 237 CO 0.12 0.11 0.24 -1.17 -1.34 0.00 0.00 175.55 173.50 1p89 s LEU 238 N -1.20 4.25 0.00 6.97 2.96 -1.26 -0.42 118.68 129.98 1p89 s LEU 238 Ca 0.09 -0.16 0.00 0.00 -0.22 0.00 0.00 54.13 53.84 1p89 s LEU 238 Cb -0.09 -2.17 0.00 0.00 0.50 0.00 0.00 46.19 44.42 1p89 s LEU 238 CO 0.02 -0.16 0.82 0.52 -1.32 0.00 0.00 176.35 176.23 1p89 n VAL 239 N 5.10 0.00 -0.82 1.68 0.31 0.24 -4.85 118.33 119.99 1p89 n VAL 239 Ca -0.13 1.32 0.00 0.00 -0.01 0.00 0.00 64.34 65.53 1p89 n VAL 239 Cb 0.51 -2.24 0.00 0.00 -0.91 0.00 0.00 33.84 31.20 1p89 n VAL 239 CO 0.00 0.00 0.00 1.21 -1.32 0.00 0.00 176.83 176.72