#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 -0.32 6.43 -0.26 -1.93 -3.00 115.58 116.50 1p89 h ASN 26 Ca 0.00 0.00 -0.13 0.00 -0.56 0.00 0.00 56.30 55.61 1p89 h ASN 26 Cb 0.00 0.00 -0.01 0.00 -1.06 0.00 0.00 38.32 37.25 1p89 h ASN 26 CO 0.00 0.71 -0.26 0.03 -1.06 0.00 0.00 177.43 176.84 1p89 h ARG 27 N 0.00 0.82 0.09 0.81 3.08 -1.99 -1.77 114.38 115.42 1p89 h ARG 27 Ca -0.16 -0.36 -0.26 0.00 0.07 0.00 0.00 59.98 59.27 1p89 h ARG 27 Cb 1.68 -0.02 0.00 0.00 0.08 0.00 0.00 29.97 31.71 1p89 h ARG 27 CO 0.06 0.99 -1.15 0.00 -1.07 0.00 0.00 179.97 178.80 1p89 h ALA 28 N 0.99 0.19 0.34 0.04 0.00 -1.98 -1.80 119.26 117.03 1p89 h ALA 28 Ca 0.09 -0.85 -0.02 0.00 0.00 0.00 0.00 54.91 54.13 1p89 h ALA 28 Cb 0.80 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.58 1p89 h ALA 28 CO 0.07 0.96 -0.16 -0.07 0.00 0.00 0.00 179.25 180.05 1p89 h LEU 29 N 0.10 -0.38 -0.12 0.00 3.38 -1.44 0.17 115.31 117.02 1p89 h LEU 29 Ca -0.11 -0.06 -0.02 0.00 0.09 0.00 0.00 57.88 57.78 1p89 h LEU 29 Cb 1.86 0.10 -0.00 0.00 0.09 0.00 0.00 40.66 42.71 1p89 h LEU 29 CO 0.19 -0.18 -0.02 0.25 0.09 0.00 0.00 178.44 178.77 1p89 h LEU 30 N -0.56 0.22 -1.62 1.67 5.85 -1.44 -1.27 115.31 118.16 1p89 h LEU 30 Ca -0.05 -0.34 0.08 0.00 0.84 0.00 0.00 57.88 58.41 1p89 h LEU 30 Cb 0.42 -0.06 -0.03 0.00 0.37 0.00 0.00 40.66 41.35 1p89 h LEU 30 CO 0.08 0.51 0.39 -0.07 -0.34 0.00 0.00 178.44 179.01 1p89 h LEU 31 N -0.08 0.40 -0.38 2.25 3.38 -1.31 0.38 115.31 119.95 1p89 h LEU 31 Ca 0.03 0.01 -0.15 0.00 0.09 0.00 0.00 57.88 57.85 1p89 h LEU 31 Cb 0.41 -0.08 -0.02 0.00 0.09 0.00 0.00 40.66 41.06 1p89 h LEU 31 CO 0.01 0.25 -0.73 0.00 0.09 0.00 0.00 178.44 178.06 1p89 h ALA 32 N 1.70 0.69 0.00 1.53 0.00 -0.44 -2.75 119.26 119.99 1p89 h ALA 32 Ca 0.26 -0.66 -0.14 0.00 0.00 0.00 0.00 54.91 54.37 1p89 h ALA 32 Cb 0.45 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.10 1p89 h ALA 32 CO -0.07 0.91 -0.65 0.00 0.00 0.00 0.00 179.25 179.43 1p89 h ALA 33 N 1.27 0.89 0.00 0.00 0.00 0.26 -2.90 119.26 118.78 1p89 h ALA 33 Ca -0.01 -0.59 0.00 0.00 0.00 0.00 0.00 54.91 54.31 1p89 h ALA 33 Cb 1.38 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 19.07 1p89 h ALA 33 CO 0.09 0.81 -0.58 1.28 0.00 0.00 0.00 179.25 180.86 1p89 n LEU 34 N -3.71 0.57 -4.90 0.00 4.77 -0.71 0.19 117.00 113.22 1p89 n LEU 34 Ca -0.01 0.11 -0.29 0.00 -0.03 0.00 0.00 56.01 55.79 1p89 n LEU 34 Cb 0.65 -0.22 0.04 0.00 -2.33 0.00 0.00 43.42 41.57 1p89 n LEU 34 CO 0.42 0.04 0.68 0.00 -1.33 0.00 0.00 177.39 177.20 1p89 s ALA 35 N -3.08 3.03 -0.62 -1.18 0.00 -1.04 -3.38 121.76 115.48 1p89 s ALA 35 Ca 0.09 -0.48 -0.16 0.00 0.00 0.00 0.00 51.96 51.40 1p89 s ALA 35 Cb 0.16 -2.87 0.14 0.00 0.00 0.00 0.00 23.12 20.54 1p89 s ALA 35 CO 0.71 -1.05 0.63 -1.01 0.00 0.00 0.00 175.76 175.05 1p89 s HIS 36 N -3.24 3.28 0.00 0.00 3.76 0.13 -0.79 115.29 118.42 1p89 s HIS 36 Ca 0.57 -1.34 0.00 0.00 -0.15 0.00 0.00 55.06 54.13 1p89 s HIS 36 Cb -0.11 -3.88 0.00 0.00 1.11 0.00 0.00 32.58 29.70 1p89 s HIS 36 CO 0.49 -1.11 0.00 0.41 -0.85 0.00 0.00 174.74 173.69 1p89 n GLY 37 N 5.02 3.51 3.75 -2.22 0.00 -1.24 -2.64 105.19 111.37 1p89 n GLY 37 Ca -0.06 -1.58 -0.41 0.00 0.00 0.00 0.00 46.02 43.97 1p89 n GLY 37 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1p89 s LYS 38 N -4.77 4.28 0.16 1.61 2.20 -1.25 -2.27 119.74 119.70 1p89 s LYS 38 Ca 0.00 2.28 0.06 0.00 -0.36 0.00 0.00 55.97 57.95 1p89 s LYS 38 Cb 0.00 -3.11 -0.04 0.00 -1.51 0.00 0.00 37.83 33.16 1p89 s LYS 38 CO 0.00 -0.40 -0.12 0.99 -0.36 0.00 0.00 175.35 175.46 1p89 s THR 39 N -0.06 1.34 -0.06 3.43 2.01 0.21 -4.69 115.64 117.83 1p89 s THR 39 Ca 0.59 -2.06 -0.03 0.00 0.31 0.00 0.00 61.69 60.50 1p89 s THR 39 Cb -0.41 -1.86 -0.04 0.00 0.01 0.00 0.00 72.50 70.20 1p89 s THR 39 CO 0.43 -0.67 0.08 -0.69 -0.69 0.00 0.00 174.62 173.09 1p89 s VAL 40 N -3.08 4.84 -0.20 3.82 1.01 0.30 0.62 120.40 127.70 1p89 s VAL 40 Ca 0.17 -0.19 -0.00 0.00 0.00 0.00 0.00 61.98 61.96 1p89 s VAL 40 Cb 0.01 -3.13 0.05 0.00 0.00 0.00 0.00 36.38 33.31 1p89 s VAL 40 CO 0.03 0.49 -0.04 -1.48 0.00 0.00 0.00 175.10 174.10 1p89 s LEU 41 N -1.31 2.00 0.43 3.92 2.34 0.40 0.12 118.68 126.58 1p89 s LEU 41 Ca 0.18 -0.94 0.08 0.00 0.06 0.00 0.00 54.13 53.51 1p89 s LEU 41 Cb -0.12 -0.99 0.01 0.00 -0.56 0.00 0.00 46.19 44.54 1p89 s LEU 41 CO 0.08 -0.23 0.56 0.28 -1.06 0.00 0.00 176.35 175.98 1p89 s THR 42 N 1.56 2.88 -1.63 5.48 -1.32 0.13 0.59 115.64 123.32 1p89 s THR 42 Ca -0.03 -1.05 0.00 0.00 -1.21 0.00 0.00 61.69 59.40 1p89 s THR 42 Cb -0.17 -2.93 0.00 0.00 -1.51 0.00 0.00 72.50 67.89 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 -1.84 -4.88 -4.69 8.08 4.05 0.61 -0.67 115.26 115.92 1p89 n ASN 43 Ca 0.08 0.34 -0.33 0.00 0.45 0.00 0.00 54.58 55.12 1p89 n ASN 43 Cb 0.60 -3.79 0.14 0.00 1.23 0.00 0.00 39.78 37.95 1p89 n ASN 43 CO 0.00 0.00 0.00 -0.22 -3.05 0.00 0.00 177.26 173.99 1p89 s LEU 44 N -3.71 3.03 -0.37 1.20 2.96 0.30 -4.59 118.68 117.50 1p89 s LEU 44 Ca 0.00 2.31 -0.19 0.00 -0.22 0.00 0.00 54.13 56.03 1p89 s LEU 44 Cb 0.00 -4.58 0.00 0.00 0.50 0.00 0.00 46.19 42.11 1p89 s LEU 44 CO 0.00 -2.83 0.55 -0.22 -1.32 0.00 0.00 176.35 172.53 1p89 s LEU 45 N -6.03 4.39 -1.01 -0.68 2.96 -1.26 -4.39 118.68 112.66 1p89 s LEU 45 Ca 0.71 -0.09 -0.10 0.00 -0.22 0.00 0.00 54.13 54.42 1p89 s LEU 45 Cb -0.27 -2.63 -0.07 0.00 0.50 0.00 0.00 46.19 43.73 1p89 s LEU 45 CO 0.53 -0.55 2.19 -0.90 -1.32 0.00 0.00 176.35 176.30 1p89 n ASP 46 N 5.86 4.82 -0.39 3.68 5.75 -1.23 -4.52 116.55 130.51 1p89 n ASP 46 Ca -0.04 -2.47 0.00 0.00 -0.01 0.00 0.00 54.79 52.27 1p89 n ASP 46 Cb 0.49 -1.20 0.00 0.00 -1.03 0.00 0.00 41.12 39.38 1p89 n ASP 46 CO 0.00 0.00 0.00 -1.20 -0.11 0.00 0.00 177.20 175.89 1p89 n SER 47 N 4.98 1.51 0.01 -1.12 7.64 -1.26 -5.06 113.62 120.33 1p89 n SER 47 Ca 0.51 -0.22 0.10 0.00 1.01 0.00 0.00 58.87 60.26 1p89 n SER 47 Cb 0.22 0.00 -0.13 0.00 -1.01 0.00 0.00 64.21 63.29 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 -0.33 0.20 0.18 6.43 8.00 -1.26 -3.23 116.55 126.53 1p89 n ASP 48 Ca 0.00 0.08 0.04 0.00 0.71 0.00 0.00 54.79 55.62 1p89 n ASP 48 Cb 0.00 1.59 0.31 0.00 -0.02 0.00 0.00 41.12 43.00 1p89 n ASP 48 CO 0.00 0.00 0.00 -2.24 -0.39 0.00 0.00 177.20 174.57 1p89 h ASP 49 N 0.00 0.00 0.00 -2.24 2.03 -1.90 -2.58 116.42 111.73 1p89 h ASP 49 Ca -0.02 0.00 -0.14 0.00 -0.73 0.00 0.00 57.03 56.13 1p89 h ASP 49 Cb 1.06 0.00 -0.02 0.00 -0.83 0.00 0.00 39.33 39.54 1p89 h ASP 49 CO 0.00 0.43 -0.93 0.58 -1.03 0.00 0.00 179.24 178.29 1p89 h VAL 50 N 0.00 0.66 -1.00 4.15 2.07 -1.80 -3.13 116.25 117.21 1p89 h VAL 50 Ca -0.00 -1.80 0.29 0.00 0.82 0.00 0.00 66.70 66.00 1p89 h VAL 50 Cb 0.89 1.56 -0.04 0.00 -1.52 0.00 0.00 31.29 32.18 1p89 h VAL 50 CO 0.06 0.22 0.71 0.08 0.02 0.00 0.00 177.57 178.67 1p89 h ARG 51 N -1.00 0.02 -0.11 1.57 0.11 -1.63 1.79 114.38 115.12 1p89 h ARG 51 Ca -0.22 -0.00 -0.18 0.00 0.10 0.00 0.00 59.98 59.69 1p89 h ARG 51 Cb 1.01 -0.00 -0.00 0.00 1.11 0.00 0.00 29.97 32.08 1p89 h ARG 51 CO -0.13 0.01 -0.67 0.45 0.10 0.00 0.00 179.97 179.74 1p89 h HIS 52 N 0.02 0.60 -0.14 4.08 3.86 -1.59 0.90 115.15 122.88 1p89 h HIS 52 Ca 0.48 -0.25 -0.02 0.00 -1.16 0.00 0.00 60.37 59.42 1p89 h HIS 52 Cb 1.88 -0.10 -0.01 0.00 1.06 0.00 0.00 27.41 30.24 1p89 h HIS 52 CO -0.00 0.99 0.01 1.98 0.86 0.00 0.00 177.93 181.77 1p89 h MET 53 N 0.33 0.24 -0.08 2.45 1.85 0.26 0.11 114.93 120.10 1p89 h MET 53 Ca -0.02 -0.07 -0.01 0.00 -0.61 0.00 0.00 59.70 58.99 1p89 h MET 53 Cb 1.23 -0.02 -0.00 0.00 0.43 0.00 0.00 31.60 33.23 1p89 h MET 53 CO 0.12 0.46 0.01 -0.07 -0.40 0.00 0.00 176.91 177.02 1p89 h LEU 54 N -0.01 0.12 -1.99 3.39 4.07 -0.60 -1.90 115.31 118.39 1p89 h LEU 54 Ca 0.04 -0.27 0.11 0.00 0.08 0.00 0.00 57.88 57.84 1p89 h LEU 54 Cb 0.34 -0.03 -0.02 0.00 1.08 0.00 0.00 40.66 42.04 1p89 h LEU 54 CO 0.01 0.36 0.42 -1.13 -1.08 0.00 0.00 178.44 177.02 1p89 h ASN 55 N -0.12 0.00 -0.02 -0.43 -1.24 0.96 0.26 115.58 114.98 1p89 h ASN 55 Ca 0.02 0.00 -0.15 0.00 0.71 0.00 0.00 56.30 56.88 1p89 h ASN 55 Cb 0.29 0.00 0.01 0.00 0.73 0.00 0.00 38.32 39.36 1p89 h ASN 55 CO 0.00 0.00 -0.57 0.00 -1.29 0.00 0.00 177.43 175.58 1p89 h ALA 56 N 1.51 0.10 -0.02 1.57 0.00 0.03 -2.77 119.26 119.67 1p89 h ALA 56 Ca 0.18 -0.55 -0.01 0.00 0.00 0.00 0.00 54.91 54.53 1p89 h ALA 56 Cb 1.03 0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.84 1p89 h ALA 56 CO -0.00 0.35 -0.02 -0.07 0.00 0.00 0.00 179.25 179.51 1p89 h LEU 57 N -0.07 0.05 -1.77 0.00 3.38 -0.60 -2.87 115.31 113.44 1p89 h LEU 57 Ca -0.06 -0.49 0.22 0.00 0.09 0.00 0.00 57.88 57.64 1p89 h LEU 57 Cb 1.26 -0.01 -0.05 0.00 0.09 0.00 0.00 40.66 41.95 1p89 h LEU 57 CO 0.11 0.53 0.58 0.00 0.09 0.00 0.00 178.44 179.75 1p89 h THR 58 N -0.42 0.64 -0.43 0.22 1.03 -1.28 0.17 112.91 112.83 1p89 h THR 58 Ca 0.00 -0.07 0.02 0.00 -0.01 0.00 0.00 66.41 66.35 1p89 h THR 58 Cb 0.51 0.43 -0.03 0.00 -1.07 0.00 0.00 68.15 67.99 1p89 h THR 58 CO 0.00 0.04 0.26 0.00 -0.01 0.00 0.00 175.52 175.81 1p89 h ALA 59 N 1.61 0.55 0.00 0.00 0.00 -1.26 -0.59 119.26 119.57 1p89 h ALA 59 Ca 0.42 -0.01 -0.09 0.00 0.00 0.00 0.00 54.91 55.23 1p89 h ALA 59 Cb 1.35 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 19.00 1p89 h ALA 59 CO -0.09 -0.06 -0.42 -0.07 0.00 0.00 0.00 179.25 178.62 1p89 h LEU 60 N 0.52 0.00 0.00 0.00 4.07 -0.72 -3.46 115.31 115.71 1p89 h LEU 60 Ca 0.17 0.00 0.00 0.00 0.08 0.00 0.00 57.88 58.13 1p89 h LEU 60 Cb 0.01 0.00 0.00 0.00 1.08 0.00 0.00 40.66 41.75 1p89 h LEU 60 CO -0.08 0.42 0.00 0.61 -1.08 0.00 0.00 178.44 178.31 1p89 n GLY 61 N 0.24 -0.10 3.67 0.83 0.00 -0.13 -4.69 105.19 105.00 1p89 n GLY 61 Ca -0.00 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.66 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 3.48 -3.94 1.61 0.31 -0.08 -4.85 118.33 114.85 1p89 n VAL 62 Ca 0.00 -0.39 -0.34 0.00 -0.01 0.00 0.00 64.34 63.60 1p89 n VAL 62 Cb 0.00 -1.26 -0.14 0.00 -0.91 0.00 0.00 33.84 31.53 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 -1.63 4.80 0.14 4.52 0.01 -1.26 -3.83 113.70 116.45 1p89 s SER 63 Ca 0.77 -1.41 0.07 0.00 1.31 0.00 0.00 55.95 56.69 1p89 s SER 63 Cb -0.35 -1.68 -0.04 0.00 0.21 0.00 0.00 66.02 64.16 1p89 s SER 63 CO 0.46 -0.27 -0.16 -0.72 0.41 0.00 0.00 173.24 172.97 1p89 s TYR 64 N 1.19 1.58 -0.15 2.43 -0.85 -1.25 0.88 117.35 121.18 1p89 s TYR 64 Ca -0.04 -0.52 -0.04 0.00 -0.52 0.00 0.00 57.07 55.95 1p89 s TYR 64 Cb -0.20 -0.81 0.07 0.00 0.38 0.00 0.00 41.96 41.40 1p89 s TYR 64 CO -0.03 0.22 0.23 0.99 -1.52 0.00 0.00 175.55 175.44 1p89 s THR 65 N -2.06 -0.35 0.82 -3.49 2.01 -0.77 -4.87 115.64 106.93 1p89 s THR 65 Ca 0.11 0.16 -0.09 0.00 0.31 0.00 0.00 61.69 62.19 1p89 s THR 65 Cb -0.05 -0.49 0.14 0.00 0.01 0.00 0.00 72.50 72.11 1p89 s THR 65 CO 0.04 0.01 1.15 -0.76 -0.69 0.00 0.00 174.62 174.37 1p89 s LEU 66 N 2.36 2.82 0.85 4.42 2.01 -1.25 -0.20 118.68 129.69 1p89 s LEU 66 Ca 0.04 0.11 -0.08 0.00 0.01 0.00 0.00 54.13 54.20 1p89 s LEU 66 Cb -0.13 -2.38 0.18 0.00 0.01 0.00 0.00 46.19 43.86 1p89 s LEU 66 CO -0.09 -2.19 1.17 -0.94 1.01 0.00 0.00 176.35 175.31 1p89 s SER 67 N -4.76 3.62 0.23 2.29 1.04 0.92 -4.85 113.70 112.19 1p89 s SER 67 Ca 0.68 -0.13 0.17 0.00 0.48 0.00 0.00 55.95 57.15 1p89 s SER 67 Cb -0.06 -0.02 0.87 0.00 0.10 0.00 0.00 66.02 66.91 1p89 s SER 67 CO 0.48 -2.37 1.52 0.00 0.98 0.00 0.00 173.24 173.85 1p89 n ALA 68 N -3.33 1.15 0.01 5.32 0.00 -1.26 -0.95 120.51 121.46 1p89 n ALA 68 Ca 0.16 0.13 0.00 0.00 0.00 0.00 0.00 53.44 53.73 1p89 n ALA 68 Cb 0.60 -1.26 0.01 0.00 0.00 0.00 0.00 19.45 18.80 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 -2.06 1.44 -3.25 0.00 2.03 -1.26 -5.00 116.55 108.45 1p89 n ASP 69 Ca -0.00 -1.40 -0.18 0.00 0.52 0.00 0.00 54.79 53.73 1p89 n ASP 69 Cb 0.06 -0.01 0.08 0.00 -0.72 0.00 0.00 41.12 40.53 1p89 n ASP 69 CO 0.00 0.00 0.00 0.54 -1.92 0.00 0.00 177.20 175.82 1p89 n ARG 70 N -0.14 -6.55 0.00 -0.67 5.12 -0.12 -4.68 116.66 109.62 1p89 n ARG 70 Ca 0.01 0.76 0.00 0.00 -1.93 0.00 0.00 57.85 56.69 1p89 n ARG 70 Cb 0.11 -5.57 0.00 0.00 -1.16 0.00 0.00 32.46 25.84 1p89 n ARG 70 CO 0.00 0.00 0.00 0.25 -1.93 0.00 0.00 177.63 175.95 1p89 n THR 71 N -4.24 0.00 -3.59 0.55 -2.24 -1.26 -3.58 114.28 99.92 1p89 n THR 71 Ca -0.15 -0.36 -0.22 0.00 -2.27 0.00 0.00 64.05 61.06 1p89 n THR 71 Cb 0.61 1.20 -0.16 0.00 -2.10 0.00 0.00 70.33 69.88 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 -0.22 0.08 0.16 -0.78 1.04 -1.24 0.22 118.95 118.21 1p89 s ARG 72 Ca 0.00 0.15 0.09 0.00 -1.04 0.00 0.00 55.73 54.94 1p89 s ARG 72 Cb 0.00 -1.26 -0.04 0.00 -2.04 0.00 0.00 34.95 31.61 1p89 s ARG 72 CO 0.00 -0.57 -0.16 0.00 -0.04 0.00 0.00 175.30 174.53 1p89 s GLU 74 N -2.50 1.93 -0.19 0.00 2.02 0.72 0.15 118.70 120.83 1p89 s GLU 74 Ca 0.21 -1.70 -0.14 0.00 0.02 0.00 0.00 54.97 53.36 1p89 s GLU 74 Cb -0.09 -3.33 -0.04 0.00 0.10 0.00 0.00 34.13 30.76 1p89 s GLU 74 CO 0.12 -0.91 0.31 0.42 0.02 0.00 0.00 175.26 175.22 1p89 s ILE 75 N 1.08 5.28 -0.65 -1.63 1.09 0.20 -1.85 121.20 124.71 1p89 s ILE 75 Ca 0.05 0.55 -0.26 0.00 -1.10 0.00 0.00 60.65 59.90 1p89 s ILE 75 Cb -0.21 -3.65 0.04 0.00 -1.06 0.00 0.00 42.46 37.58 1p89 s ILE 75 CO -0.05 0.33 1.15 -0.63 -0.10 0.00 0.00 174.94 175.64 1p89 s ILE 76 N 0.86 4.01 -0.39 2.92 1.01 0.25 0.63 121.20 130.50 1p89 s ILE 76 Ca 0.16 0.41 -0.41 0.00 0.00 0.00 0.00 60.65 60.81 1p89 s ILE 76 Cb -0.14 -4.76 -0.16 0.00 0.01 0.00 0.00 42.46 37.41 1p89 s ILE 76 CO 0.05 -1.52 1.91 0.61 0.00 0.00 0.00 174.94 175.99 1p89 n GLY 77 N 5.24 0.43 0.23 6.18 0.00 -0.96 -4.36 105.19 111.95 1p89 n GLY 77 Ca 0.03 0.99 0.16 0.00 0.00 0.00 0.00 46.02 47.20 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 8.36 0.00 0.00 1.61 -0.00 0.23 -3.30 115.58 122.48 1p89 h ASN 78 Ca -0.34 0.00 0.00 0.00 -0.00 0.00 0.00 56.30 55.96 1p89 h ASN 78 Cb 1.35 0.00 0.00 0.00 -0.00 0.00 0.00 38.32 39.67 1p89 h ASN 78 CO 1.01 0.00 0.00 0.61 -0.00 0.00 0.00 177.43 179.05 1p89 n GLY 79 N -1.06 3.15 0.00 1.57 0.00 0.03 -4.89 105.19 103.99 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 -1.99 5.41 3.84 -0.02 0.00 -1.22 -4.64 105.19 106.57 1p89 n GLY 80 Ca 0.00 -1.08 -0.29 0.00 0.00 0.00 0.00 46.02 44.65 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 2.52 1.35 -0.83 1.61 0.02 -1.26 -3.44 135.00 134.96 1p89 s PRO 81 Ca 0.00 0.15 -0.25 0.00 0.02 0.00 0.00 61.00 60.92 1p89 s PRO 81 Cb 0.00 -1.88 -0.05 0.00 0.02 0.00 0.00 34.50 32.60 1p89 s PRO 81 CO 0.00 -2.03 1.95 -0.51 -0.33 0.00 0.00 177.00 176.08 1p89 s LEU 82 N -5.87 3.18 -0.28 -5.54 2.01 -1.25 -4.88 118.68 106.05 1p89 s LEU 82 Ca 0.64 -0.42 -0.26 0.00 0.01 0.00 0.00 54.13 54.10 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 0.52 -2.71 0.90 -1.00 1.01 0.00 0.00 176.35 175.07 1p89 s HIS 83 N 10.07 3.23 -0.21 0.29 3.76 -1.26 -4.29 115.29 126.89 1p89 s HIS 83 Ca 0.71 1.08 -0.04 0.00 -0.15 0.00 0.00 55.06 56.65 1p89 s HIS 83 Cb -0.08 -3.30 0.09 0.00 1.11 0.00 0.00 32.58 30.40 1p89 s HIS 83 CO 0.04 -0.56 0.21 0.00 -0.85 0.00 0.00 174.74 173.58 1p89 s ALA 84 N 3.13 -0.16 -0.61 -1.40 0.00 -1.26 -4.69 121.76 116.77 1p89 s ALA 84 Ca 0.38 0.10 -0.04 0.00 0.00 0.00 0.00 51.96 52.40 1p89 s ALA 84 Cb -0.14 -1.32 0.16 0.00 0.00 0.00 0.00 23.12 21.82 1p89 s ALA 84 CO 0.11 -1.25 0.44 -2.00 0.00 0.00 0.00 175.76 173.05 1p89 s GLU 85 N 2.30 2.58 0.00 0.00 2.12 -1.26 -0.97 118.70 123.46 1p89 s GLU 85 Ca 0.07 -2.44 0.00 0.00 0.36 0.00 0.00 54.97 52.96 1p89 s GLU 85 Cb -0.16 -3.77 0.00 0.00 0.26 0.00 0.00 34.13 30.47 1p89 s GLU 85 CO -0.14 -1.17 0.06 0.41 -0.54 0.00 0.00 175.26 173.88 1p89 n GLY 86 N 3.66 0.10 3.67 -1.50 0.00 -1.25 -4.94 105.19 104.92 1p89 n GLY 86 Ca 0.07 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.88 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 -1.97 -2.20 4.61 0.00 -0.34 -4.93 120.51 115.68 1p89 n ALA 87 Ca -0.00 -0.13 -0.40 0.00 0.00 0.00 0.00 53.44 52.91 1p89 n ALA 87 Cb 0.07 -2.18 -0.05 0.00 0.00 0.00 0.00 19.45 17.29 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 -6.66 4.52 -0.14 0.00 2.96 0.42 -4.68 118.68 115.09 1p89 s LEU 88 Ca 0.04 1.70 -0.00 0.00 -0.22 0.00 0.00 54.13 55.65 1p89 s LEU 88 Cb -0.02 -3.46 -0.01 0.00 0.50 0.00 0.00 46.19 43.20 1p89 s LEU 88 CO 0.80 0.02 -0.13 -0.70 -1.32 0.00 0.00 176.35 175.02 1p89 s GLU 89 N -0.31 3.36 0.25 1.98 2.12 -1.25 0.18 118.70 125.02 1p89 s GLU 89 Ca 0.42 -0.69 0.09 0.00 0.36 0.00 0.00 54.97 55.15 1p89 s GLU 89 Cb -0.23 -2.65 -0.04 0.00 0.26 0.00 0.00 34.13 31.47 1p89 s GLU 89 CO 0.28 0.16 0.04 -0.51 -0.54 0.00 0.00 175.26 174.69 1p89 s LEU 90 N 0.49 3.34 -0.30 2.70 1.43 0.07 -4.89 118.68 121.52 1p89 s LEU 90 Ca -0.09 -0.52 0.02 0.00 -1.03 0.00 0.00 54.13 52.51 1p89 s LEU 90 Cb -0.16 -1.89 0.09 0.00 0.03 0.00 0.00 46.19 44.26 1p89 s LEU 90 CO 0.04 0.01 0.02 0.12 0.23 0.00 0.00 176.35 176.77 1p89 s PHE 91 N -2.17 2.96 -2.18 0.29 2.19 -1.25 -0.17 117.98 117.66 1p89 s PHE 91 Ca 0.31 -2.38 0.17 0.00 0.33 0.00 0.00 56.93 55.36 1p89 s PHE 91 Cb -0.07 -2.25 0.58 0.00 -1.31 0.00 0.00 43.02 39.97 1p89 s PHE 91 CO 0.21 -0.89 1.44 1.28 1.83 0.00 0.00 175.22 179.09 1p89 n LEU 92 N 4.49 1.83 0.00 6.12 7.99 0.52 -4.88 117.00 133.07 1p89 n LEU 92 Ca -0.03 -0.83 0.00 0.00 -0.01 0.00 0.00 56.01 55.14 1p89 n LEU 92 Cb 0.42 -0.16 0.00 0.00 -0.11 0.00 0.00 43.42 43.57 1p89 n LEU 92 CO 0.19 0.41 0.00 0.61 -1.51 0.00 0.00 177.39 177.09 1p89 n GLY 93 N 1.13 1.26 2.20 -0.72 0.00 -1.25 -2.03 105.19 105.78 1p89 n GLY 93 Ca 0.15 -0.47 -0.19 0.00 0.00 0.00 0.00 46.02 45.51 1p89 n GLY 93 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1p89 n ASN 94 N -2.58 6.03 0.00 1.61 3.02 -1.26 -3.21 115.26 118.87 1p89 n ASN 94 Ca 0.00 -2.92 0.00 0.00 -0.03 0.00 0.00 54.58 51.63 1p89 n ASN 94 Cb 0.00 -1.26 0.00 0.00 -0.61 0.00 0.00 39.78 37.91 1p89 n ASN 94 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1p89 n ALA 95 N 1.33 0.00 0.00 5.41 0.00 -0.86 -4.89 120.51 121.50 1p89 n ALA 95 Ca 0.41 -0.05 0.00 0.00 0.00 0.00 0.00 53.44 53.81 1p89 n ALA 95 Cb 0.66 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.11 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 2.22 2.88 0.17 0.00 0.00 -1.26 -4.76 105.19 104.45 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 -0.09 0.00 0.00 -2.27 0.00 0.00 64.05 61.69 1p89 n THR 97 Cb 0.00 0.86 0.00 0.00 -2.10 0.00 0.00 70.33 69.09 1p89 n THR 97 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1p89 n ALA 98 N -0.97 1.37 0.02 6.98 0.00 -1.26 -4.60 120.51 122.05 1p89 n ALA 98 Ca 0.07 0.00 -0.13 0.00 0.00 0.00 0.00 53.44 53.38 1p89 n ALA 98 Cb 0.37 0.03 -0.09 0.00 0.00 0.00 0.00 19.45 19.76 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 -0.04 0.36 0.00 -1.53 -1.91 0.00 114.93 111.82 1p89 h MET 99 Ca 0.00 0.00 -0.02 0.00 -3.44 0.00 0.00 59.70 56.24 1p89 h MET 99 Cb 0.11 0.01 0.00 0.00 -0.55 0.00 0.00 31.60 31.17 1p89 h MET 99 CO 0.00 0.28 -0.17 0.00 0.14 0.00 0.00 176.91 177.16 1p89 h ARG 100 N -0.36 -0.47 -0.43 0.39 -0.00 -1.86 0.18 114.38 111.83 1p89 h ARG 100 Ca -0.00 0.03 -0.01 0.00 -0.50 0.00 0.00 59.98 59.50 1p89 h ARG 100 Cb 0.34 0.11 -0.02 0.00 0.00 0.00 0.00 29.97 30.39 1p89 h ARG 100 CO 0.01 -0.26 0.25 -1.35 0.00 0.00 0.00 179.97 178.61 1p89 h PRO 101 N -0.57 0.60 -0.14 0.04 0.11 -1.64 -2.84 132.00 127.56 1p89 h PRO 101 Ca -0.05 -0.06 -0.14 0.00 0.11 0.00 0.00 66.00 65.85 1p89 h PRO 101 Cb 0.42 -0.12 -0.01 0.00 0.11 0.00 0.00 31.00 31.40 1p89 h PRO 101 CO 0.08 0.46 -0.52 1.25 -0.21 0.00 0.00 178.00 179.06 1p89 h LEU 102 N 0.57 0.44 -0.22 2.35 7.12 -0.99 -2.15 115.31 122.42 1p89 h LEU 102 Ca 0.15 -0.23 0.00 0.00 0.13 0.00 0.00 57.88 57.94 1p89 h LEU 102 Cb 0.03 -0.13 -0.01 0.00 -0.53 0.00 0.00 40.66 40.03 1p89 h LEU 102 CO -0.03 0.88 0.14 0.00 -0.13 0.00 0.00 178.44 179.31 1p89 h ALA 103 N 1.13 0.29 -0.11 1.25 0.00 -0.49 -2.94 119.26 118.39 1p89 h ALA 103 Ca 0.01 -0.03 -0.16 0.00 0.00 0.00 0.00 54.91 54.74 1p89 h ALA 103 Cb 1.02 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.71 1p89 h ALA 103 CO 0.09 -0.22 -0.61 0.00 0.00 0.00 0.00 179.25 178.51 1p89 h ALA 104 N 1.06 0.76 -0.48 0.00 0.00 -1.49 -3.20 119.26 115.91 1p89 h ALA 104 Ca 0.08 -0.54 0.00 0.00 0.00 0.00 0.00 54.91 54.45 1p89 h ALA 104 Cb -0.01 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 17.68 1p89 h ALA 104 CO -0.02 0.72 0.31 0.00 0.00 0.00 0.00 179.25 180.26 1p89 h ALA 105 N 1.08 0.61 0.00 0.00 0.00 -1.23 -1.96 119.26 117.76 1p89 h ALA 105 Ca -0.01 -0.04 -0.00 0.00 0.00 0.00 0.00 54.91 54.85 1p89 h ALA 105 Cb 1.14 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 18.73 1p89 h ALA 105 CO 0.10 0.07 -0.02 -0.07 0.00 0.00 0.00 179.25 179.33 1p89 h LEU 106 N 0.65 0.00 0.00 0.00 3.38 -1.58 -2.85 115.31 114.90 1p89 h LEU 106 Ca 0.17 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.14 1p89 h LEU 106 Cb -0.05 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.70 1p89 h LEU 106 CO -0.04 0.02 0.00 0.00 0.09 0.00 0.00 178.44 178.52 1p89 s LEU 108 N -2.81 3.24 0.00 0.00 1.43 -1.08 0.74 118.68 120.20 1p89 s LEU 108 Ca 0.02 0.59 0.00 0.00 -1.03 0.00 0.00 54.13 53.71 1p89 s LEU 108 Cb 0.02 -3.41 0.00 0.00 0.03 0.00 0.00 46.19 42.83 1p89 s LEU 108 CO 0.05 -1.08 0.00 0.61 0.23 0.00 0.00 176.35 176.16 1p89 n GLY 109 N -2.54 1.35 3.14 -3.19 0.00 -1.26 -4.04 105.19 98.66 1p89 n GLY 109 Ca 0.05 0.44 0.04 0.00 0.00 0.00 0.00 46.02 46.55 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 -1.16 -0.01 1.61 1.04 -1.26 -0.27 113.70 109.65 1p89 s SER 110 Ca 0.00 0.10 0.00 0.00 0.48 0.00 0.00 55.95 56.53 1p89 s SER 110 Cb 0.00 1.72 0.01 0.00 0.10 0.00 0.00 66.02 67.85 1p89 s SER 110 CO 0.00 -0.21 -0.01 0.20 0.98 0.00 0.00 173.24 174.20 1p89 s ASN 111 N 2.83 0.27 -0.38 7.02 0.02 -1.24 -4.62 114.94 118.84 1p89 s ASN 111 Ca 0.17 -0.02 -0.12 0.00 -1.02 0.00 0.00 52.86 51.86 1p89 s ASN 111 Cb -0.07 -0.09 0.02 0.00 0.02 0.00 0.00 41.25 41.13 1p89 s ASN 111 CO -0.24 -0.04 0.24 -1.81 0.02 0.00 0.00 177.10 175.27 1p89 s ASP 112 N 0.44 5.86 -0.04 -1.22 1.11 -0.14 -1.39 116.67 121.29 1p89 s ASP 112 Ca -0.04 -0.91 -0.05 0.00 0.18 0.00 0.00 52.55 51.73 1p89 s ASP 112 Cb -0.07 -2.07 0.01 0.00 1.07 0.00 0.00 42.92 41.86 1p89 s ASP 112 CO -0.01 -0.39 0.13 -0.63 1.18 0.00 0.00 175.17 175.45 1p89 s ILE 113 N 1.61 0.02 -0.29 0.77 1.09 -0.55 -0.44 121.20 123.41 1p89 s ILE 113 Ca 0.03 -0.17 -0.03 0.00 -1.10 0.00 0.00 60.65 59.39 1p89 s ILE 113 Cb -0.19 -0.25 0.04 0.00 -1.06 0.00 0.00 42.46 41.00 1p89 s ILE 113 CO 0.08 -0.09 -0.00 -0.69 -0.10 0.00 0.00 174.94 174.14 1p89 s VAL 114 N -0.26 3.14 0.54 2.92 1.01 0.47 0.16 120.40 128.38 1p89 s VAL 114 Ca -0.03 -1.16 -0.12 0.00 0.00 0.00 0.00 61.98 60.66 1p89 s VAL 114 Cb -0.03 -2.71 -0.06 0.00 0.00 0.00 0.00 36.38 33.59 1p89 s VAL 114 CO 0.00 0.01 0.95 -0.76 0.00 0.00 0.00 175.10 175.30 1p89 s LEU 115 N 1.32 3.50 0.18 3.92 1.43 0.55 -0.75 118.68 128.83 1p89 s LEU 115 Ca -0.02 1.38 -0.24 0.00 -1.03 0.00 0.00 54.13 54.22 1p89 s LEU 115 Cb -0.18 -4.35 0.05 0.00 0.03 0.00 0.00 46.19 41.74 1p89 s LEU 115 CO -0.01 -0.67 0.80 -0.89 0.23 0.00 0.00 176.35 175.81 1p89 s THR 116 N -2.81 0.00 0.00 5.49 2.01 0.77 -2.55 115.64 118.55 1p89 s THR 116 Ca 0.55 -0.58 0.00 0.00 0.31 0.00 0.00 61.69 61.97 1p89 s THR 116 Cb -0.10 -1.69 0.00 0.00 0.01 0.00 0.00 72.50 70.71 1p89 s THR 116 CO 0.41 0.00 0.00 0.61 -0.69 0.00 0.00 174.62 174.95 1p89 n GLY 117 N -0.42 2.94 3.57 4.40 0.00 -1.26 -0.36 105.19 114.06 1p89 n GLY 117 Ca -0.08 -1.09 -0.30 0.00 0.00 0.00 0.00 46.02 44.56 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 -0.84 -1.43 0.24 1.61 0.41 -1.20 -4.71 118.70 112.78 1p89 s GLU 118 Ca 0.00 -0.08 -0.06 0.00 -0.41 0.00 0.00 54.97 54.42 1p89 s GLU 118 Cb 0.00 -1.57 0.24 0.00 -1.78 0.00 0.00 34.13 31.02 1p89 s GLU 118 CO 0.00 -3.85 1.86 -1.35 -0.49 0.00 0.00 175.26 171.43 1p89 h PRO 119 N -2.68 1.21 0.01 0.39 0.11 -2.01 -2.44 132.00 126.59 1p89 h PRO 119 Ca -0.44 -0.15 -0.20 0.00 0.11 0.00 0.00 66.00 65.31 1p89 h PRO 119 Cb 1.29 -0.23 -0.01 0.00 0.11 0.00 0.00 31.00 32.16 1p89 h PRO 119 CO 0.32 0.90 -0.89 -0.09 -0.21 0.00 0.00 178.00 178.03 1p89 h ARG 120 N 1.21 0.21 0.00 1.05 9.65 -1.96 -2.91 114.38 121.64 1p89 h ARG 120 Ca 0.30 -0.24 0.00 0.00 -1.10 0.00 0.00 59.98 58.94 1p89 h ARG 120 Cb 0.05 0.07 0.00 0.00 -1.39 0.00 0.00 29.97 28.70 1p89 h ARG 120 CO -0.05 0.97 0.00 1.98 2.80 0.00 0.00 179.97 185.68 1p89 h MET 121 N 0.12 0.00 0.00 0.20 4.05 -1.71 -0.84 114.93 116.75 1p89 h MET 121 Ca -0.05 0.00 0.00 0.00 -0.28 0.00 0.00 59.70 59.37 1p89 h MET 121 Cb 1.53 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 32.33 1p89 h MET 121 CO 0.14 0.00 0.00 1.63 0.23 0.00 0.00 176.91 178.91 1p89 n LYS 122 N -2.65 0.29 -1.16 0.39 4.76 -1.04 -2.71 118.16 116.04 1p89 n LYS 122 Ca -0.02 0.10 0.00 0.00 -2.87 0.00 0.00 58.31 55.53 1p89 n LYS 122 Cb 0.07 -1.50 0.13 0.00 -1.84 0.00 0.00 35.03 31.89 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 -1.25 1.59 -3.45 1.97 0.28 -0.32 -4.63 120.64 114.83 1p89 n GLU 123 Ca 0.09 -3.18 -0.43 0.00 -0.16 0.00 0.00 57.16 53.48 1p89 n GLU 123 Cb 0.13 -1.38 -0.04 0.00 1.43 0.00 0.00 31.44 31.58 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 -2.64 3.44 0.03 3.44 1.81 -1.10 -5.05 118.95 118.88 1p89 s ARG 124 Ca 0.39 -2.70 -0.39 0.00 -1.72 0.00 0.00 55.73 51.31 1p89 s ARG 124 Cb 0.38 -4.24 -0.18 0.00 -0.45 0.00 0.00 34.95 30.45 1p89 s ARG 124 CO -0.07 -1.25 1.21 -0.35 -0.68 0.00 0.00 175.30 174.15 1p89 n PRO 125 N 3.47 0.55 -1.49 3.54 -0.04 -1.14 -4.44 135.00 135.45 1p89 n PRO 125 Ca 0.15 0.20 0.04 0.00 -0.04 0.00 0.00 63.50 63.85 1p89 n PRO 125 Cb 0.43 -1.77 0.02 0.00 -0.04 0.00 0.00 33.50 32.14 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 2.04 0.00 -0.02 0.52 3.06 -0.58 -4.91 119.36 119.47 1p89 n ILE 126 Ca 0.19 -0.97 -0.13 0.00 -2.50 0.00 0.00 62.75 59.34 1p89 n ILE 126 Cb 0.13 0.99 -0.10 0.00 0.54 0.00 0.00 39.64 41.20 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 0.97 0.05 1.28 4.50 0.00 -1.90 -1.47 103.07 106.50 1p89 h GLY 127 Ca -0.24 -0.05 0.07 0.00 0.00 0.00 0.00 47.33 47.11 1p89 h GLY 127 CO 0.09 0.05 0.29 0.45 0.00 0.00 0.00 176.54 177.42 1p89 h HIS 128 N -0.45 0.00 0.00 5.60 3.86 -1.93 0.49 115.15 122.72 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 0.53 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.00 1p89 h HIS 128 CO 0.10 0.00 -0.08 1.25 0.86 0.00 0.00 177.93 180.06 1p89 h LEU 129 N 0.00 0.00 -1.89 2.43 5.85 -1.87 -3.15 115.31 116.69 1p89 h LEU 129 Ca 0.12 0.00 0.17 0.00 0.84 0.00 0.00 57.88 59.01 1p89 h LEU 129 Cb 0.70 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 41.71 1p89 h LEU 129 CO -0.00 0.25 0.57 0.58 -0.34 0.00 0.00 178.44 179.50 1p89 h VAL 130 N -0.43 0.36 -0.06 1.05 2.07 -1.02 -0.17 116.25 118.05 1p89 h VAL 130 Ca 0.00 0.00 -0.08 0.00 0.82 0.00 0.00 66.70 67.44 1p89 h VAL 130 Cb 0.08 0.56 0.00 0.00 -1.52 0.00 0.00 31.29 30.41 1p89 h VAL 130 CO 0.00 0.00 -0.27 0.44 0.02 0.00 0.00 177.57 177.76 1p89 h ASP 131 N 0.00 0.35 -0.10 0.57 5.19 -0.17 -2.27 116.42 119.99 1p89 h ASP 131 Ca 0.27 -0.64 -0.01 0.00 -0.62 0.00 0.00 57.03 56.03 1p89 h ASP 131 Cb 1.41 -0.10 -0.00 0.00 0.18 0.00 0.00 39.33 40.81 1p89 h ASP 131 CO -0.00 0.94 0.04 0.00 -3.12 0.00 0.00 179.24 177.09 1p89 h ALA 132 N 0.42 0.13 -0.57 3.45 0.00 -0.99 -1.03 119.26 120.67 1p89 h ALA 132 Ca -0.02 -0.10 0.01 0.00 0.00 0.00 0.00 54.91 54.80 1p89 h ALA 132 Cb 0.92 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 18.64 1p89 h ALA 132 CO 0.06 -0.27 0.38 -0.07 0.00 0.00 0.00 179.25 179.34 1p89 h LEU 133 N -0.00 0.65 -1.51 0.00 3.38 -1.52 -1.77 115.31 114.53 1p89 h LEU 133 Ca 0.03 -0.01 0.03 0.00 0.09 0.00 0.00 57.88 58.01 1p89 h LEU 133 Cb 0.18 -0.16 -0.03 0.00 0.09 0.00 0.00 40.66 40.74 1p89 h LEU 133 CO -0.00 0.47 0.36 0.03 0.09 0.00 0.00 178.44 179.38 1p89 h ARG 134 N 0.77 0.63 0.00 1.13 3.08 -1.20 -0.16 114.38 118.62 1p89 h ARG 134 Ca 0.21 -0.04 -0.07 0.00 0.07 0.00 0.00 59.98 60.15 1p89 h ARG 134 Cb -0.08 -0.14 -0.01 0.00 0.08 0.00 0.00 29.97 29.82 1p89 h ARG 134 CO -0.05 0.42 -0.35 -0.07 -1.07 0.00 0.00 179.97 178.84 1p89 h LEU 135 N 0.65 0.00 -0.07 3.04 3.38 -0.32 -2.26 115.31 119.72 1p89 h LEU 135 Ca 0.21 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.18 1p89 h LEU 135 Cb 0.05 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.80 1p89 h LEU 135 CO -0.05 0.35 0.00 0.61 0.09 0.00 0.00 178.44 179.44 1p89 n GLY 136 N -0.23 -1.39 0.00 0.83 0.00 -0.13 -4.82 105.19 99.45 1p89 n GLY 136 Ca -0.01 -0.05 0.00 0.00 0.00 0.00 0.00 46.02 45.95 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 0.94 1.16 3.80 -0.02 0.00 -0.85 0.90 105.19 111.12 1p89 n GLY 137 Ca 0.05 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.73 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 -1.88 2.95 -0.47 4.61 0.00 -0.88 -3.26 121.76 122.84 1p89 s ALA 138 Ca 0.00 0.57 -0.00 0.00 0.00 0.00 0.00 51.96 52.53 1p89 s ALA 138 Cb 0.00 -3.23 0.12 0.00 0.00 0.00 0.00 23.12 20.01 1p89 s ALA 138 CO 0.00 -0.18 0.24 0.15 0.00 0.00 0.00 175.76 175.97 1p89 s LYS 139 N -3.07 2.04 0.50 0.00 -0.14 -0.71 -4.38 119.74 113.98 1p89 s LYS 139 Ca 0.64 -2.15 0.03 0.00 -1.36 0.00 0.00 55.97 53.13 1p89 s LYS 139 Cb -0.16 -3.51 -0.02 0.00 -1.68 0.00 0.00 37.83 32.47 1p89 s LYS 139 CO 0.20 -1.08 0.07 0.42 -0.76 0.00 0.00 175.35 174.20 1p89 s ILE 140 N 0.55 1.38 0.00 2.17 1.01 -1.26 0.93 121.20 125.98 1p89 s ILE 140 Ca 0.12 -1.91 0.00 0.00 0.00 0.00 0.00 60.65 58.86 1p89 s ILE 140 Cb -0.22 -2.30 0.00 0.00 0.01 0.00 0.00 42.46 39.96 1p89 s ILE 140 CO -0.04 0.00 0.00 1.07 0.00 0.00 0.00 174.94 175.97 1p89 n THR 141 N -1.30 0.00 -3.66 2.92 5.66 -0.68 -4.90 114.28 112.31 1p89 n THR 141 Ca -0.14 0.00 -0.29 0.00 -3.05 0.00 0.00 64.05 60.57 1p89 n THR 141 Cb 0.66 0.00 -0.15 0.00 -1.55 0.00 0.00 70.33 69.29 1p89 n THR 141 CO 0.00 0.00 0.00 -0.31 -3.05 0.00 0.00 175.07 171.71 1p89 s TYR 142 N -5.89 1.03 -0.69 1.09 2.02 -1.26 -3.69 117.35 109.96 1p89 s TYR 142 Ca 0.00 -1.19 0.25 0.00 -0.37 0.00 0.00 57.07 55.75 1p89 s TYR 142 Cb 0.00 -1.25 0.90 0.00 -0.40 0.00 0.00 41.96 41.22 1p89 s TYR 142 CO 0.00 -0.79 1.75 1.28 -1.57 0.00 0.00 175.55 176.22 1p89 n LEU 143 N 5.04 0.61 0.00 -1.29 7.99 -1.09 -4.60 117.00 123.67 1p89 n LEU 143 Ca -0.05 0.59 0.00 0.00 -0.01 0.00 0.00 56.01 56.54 1p89 n LEU 143 Cb 0.43 -0.44 0.00 0.00 -0.11 0.00 0.00 43.42 43.30 1p89 n LEU 143 CO 0.09 -0.30 0.00 1.21 -1.51 0.00 0.00 177.39 176.88 1p89 n GLU 144 N -2.12 0.00 -4.29 3.23 4.07 -1.26 -5.06 120.64 115.22 1p89 n GLU 144 Ca 0.04 0.00 -0.15 0.00 -0.06 0.00 0.00 57.16 56.99 1p89 n GLU 144 Cb 0.33 -0.00 -0.10 0.00 -0.06 0.00 0.00 31.44 31.61 1p89 n GLU 144 CO 0.00 0.00 0.00 -0.65 -0.06 0.00 0.00 177.13 176.42 1p89 s GLN 145 N -1.02 1.21 0.35 5.31 -1.52 -1.26 -5.12 119.66 117.60 1p89 s GLN 145 Ca 0.00 -1.58 -0.26 0.00 -1.95 0.00 0.00 55.36 51.56 1p89 s GLN 145 Cb 0.00 -0.53 -0.09 0.00 -0.22 0.00 0.00 33.01 32.16 1p89 s GLN 145 CO 0.00 -0.06 1.07 -1.21 -0.25 0.00 0.00 175.29 174.84 1p89 s GLU 146 N -3.85 4.37 -1.53 2.91 2.02 -1.26 -3.59 118.70 117.78 1p89 s GLU 146 Ca 0.24 1.63 -0.12 0.00 0.02 0.00 0.00 54.97 56.74 1p89 s GLU 146 Cb 0.05 -2.82 0.08 0.00 0.10 0.00 0.00 34.13 31.54 1p89 s GLU 146 CO 0.05 0.01 0.86 0.27 0.02 0.00 0.00 175.26 176.47 1p89 n ASN 147 N 0.47 -3.61 -4.24 -0.19 6.94 -1.26 -4.89 115.26 108.48 1p89 n ASN 147 Ca 0.02 -0.85 -0.23 0.00 -0.02 0.00 0.00 54.58 53.50 1p89 n ASN 147 Cb 0.48 -3.60 -0.09 0.00 -2.36 0.00 0.00 39.78 34.21 1p89 n ASN 147 CO 0.00 0.00 0.00 -0.31 -1.03 0.00 0.00 177.26 175.92 1p89 s TYR 148 N -3.41 1.80 0.30 -2.53 2.02 -1.24 -1.52 117.35 112.77 1p89 s TYR 148 Ca 0.53 -1.18 0.05 0.00 -0.37 0.00 0.00 57.07 56.11 1p89 s TYR 148 Cb -0.27 -1.15 0.72 0.00 -0.40 0.00 0.00 41.96 40.86 1p89 s TYR 148 CO 0.85 -0.22 1.76 -1.00 -1.57 0.00 0.00 175.55 175.37 1p89 h PRO 149 N 1.98 0.67 -5.66 -1.71 0.13 -1.79 -3.40 132.00 122.23 1p89 h PRO 149 Ca -0.37 -0.04 -0.47 0.00 -0.87 0.00 0.00 66.00 64.25 1p89 h PRO 149 Cb 1.26 -0.15 0.01 0.00 0.13 0.00 0.00 31.00 32.24 1p89 h PRO 149 CO 0.61 0.44 1.61 -1.25 -0.23 0.00 0.00 178.00 179.18 1p89 s PRO 150 N -5.87 2.16 -0.05 1.56 0.04 -1.24 -3.48 135.00 128.13 1p89 s PRO 150 Ca -0.11 1.36 -0.01 0.00 0.04 0.00 0.00 61.00 62.27 1p89 s PRO 150 Cb 0.25 -4.56 0.03 0.00 0.04 0.00 0.00 34.50 30.25 1p89 s PRO 150 CO 0.80 -3.21 0.02 -0.51 0.04 0.00 0.00 177.00 174.14 1p89 s LEU 151 N 11.87 0.60 -0.34 -3.56 1.43 -1.06 -2.67 118.68 124.95 1p89 s LEU 151 Ca 0.95 -0.00 -0.09 0.00 -1.03 0.00 0.00 54.13 53.95 1p89 s LEU 151 Cb -0.17 -0.26 0.02 0.00 0.03 0.00 0.00 46.19 45.81 1p89 s LEU 151 CO 0.26 -0.19 0.16 -0.60 0.23 0.00 0.00 176.35 176.21 1p89 s ARG 152 N 1.75 2.95 0.32 1.70 3.52 -1.24 0.21 118.95 128.16 1p89 s ARG 152 Ca 0.00 -0.98 -0.01 0.00 -0.13 0.00 0.00 55.73 54.62 1p89 s ARG 152 Cb -0.13 -3.61 -0.04 0.00 -1.56 0.00 0.00 34.95 29.62 1p89 s ARG 152 CO -0.03 -0.59 0.54 -0.51 -0.81 0.00 0.00 175.30 173.89 1p89 s LEU 153 N 1.54 4.04 0.00 -0.88 1.43 0.43 -1.69 118.68 123.55 1p89 s LEU 153 Ca 0.02 0.51 0.08 0.00 -1.03 0.00 0.00 54.13 53.72 1p89 s LEU 153 Cb -0.18 -3.36 0.14 0.00 0.03 0.00 0.00 46.19 42.81 1p89 s LEU 153 CO 0.05 -0.25 0.97 0.00 0.23 0.00 0.00 176.35 177.36 1p89 n GLN 154 N -1.49 0.00 0.00 1.70 6.02 0.26 -1.49 117.38 122.39 1p89 n GLN 154 Ca -0.04 -1.16 0.00 0.00 -0.01 0.00 0.00 57.00 55.79 1p89 n GLN 154 Cb 0.55 -0.13 0.00 0.00 1.02 0.00 0.00 30.24 31.68 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 -0.01 0.00 1.08 0.00 -0.95 -3.59 105.19 101.87 1p89 n GLY 155 Ca -0.02 -0.75 0.00 0.00 0.00 0.00 0.00 46.02 45.26 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 0.57 3.59 -0.02 0.00 0.63 -1.74 105.19 108.21 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 1.27 -0.23 1.61 2.19 0.23 -3.92 117.98 117.11 1p89 s PHE 157 Ca 0.00 0.80 -0.12 0.00 0.33 0.00 0.00 56.93 57.94 1p89 s PHE 157 Cb 0.00 -3.89 -0.10 0.00 -1.31 0.00 0.00 43.02 37.72 1p89 s PHE 157 CO 0.00 -3.48 -0.31 0.25 1.83 0.00 0.00 175.22 173.52 1p89 n THR 158 N 7.74 1.31 -1.25 0.12 -2.24 -0.26 -4.41 114.28 115.29 1p89 n THR 158 Ca 0.30 -0.31 0.00 0.00 -2.27 0.00 0.00 64.05 61.77 1p89 n THR 158 Cb 0.48 -1.84 0.00 0.00 -2.10 0.00 0.00 70.33 66.87 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 1.53 0.38 0.00 3.38 0.00 0.26 0.12 105.19 110.86 1p89 n GLY 159 Ca -0.45 -1.67 0.00 0.00 0.00 0.00 0.00 46.02 43.90 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 2.63 3.69 -0.02 0.00 -0.80 -4.36 105.19 106.33 1p89 n GLY 160 Ca 0.00 -2.12 -0.42 0.00 0.00 0.00 0.00 46.02 43.48 1p89 n GLY 160 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1p89 s ASN 161 N 0.00 6.50 0.07 1.61 3.84 -1.26 -1.83 114.94 123.87 1p89 s ASN 161 Ca 0.00 2.65 0.03 0.00 0.21 0.00 0.00 52.86 55.74 1p89 s ASN 161 Cb 0.00 -2.57 -0.03 0.00 -0.55 0.00 0.00 41.25 38.10 1p89 s ASN 161 CO 0.00 -0.94 -0.08 -0.69 -2.79 0.00 0.00 177.10 172.59 1p89 s VAL 162 N 2.47 0.69 -0.22 -5.21 1.01 0.48 -4.88 120.40 114.73 1p89 s VAL 162 Ca 0.77 -1.37 0.01 0.00 0.00 0.00 0.00 61.98 61.39 1p89 s VAL 162 Cb -0.44 -1.00 0.04 0.00 0.00 0.00 0.00 36.38 34.98 1p89 s VAL 162 CO 0.34 -0.50 -0.15 -1.81 0.00 0.00 0.00 175.10 172.98 1p89 s ASP 163 N -2.05 3.80 0.07 3.32 1.11 -1.26 0.16 116.67 121.81 1p89 s ASP 163 Ca -0.02 -0.96 0.07 0.00 0.18 0.00 0.00 52.55 51.81 1p89 s ASP 163 Cb -0.06 -1.53 -0.04 0.00 1.07 0.00 0.00 42.92 42.37 1p89 s ASP 163 CO -0.01 -0.09 -0.13 0.54 1.18 0.00 0.00 175.17 176.67 1p89 s VAL 164 N 1.22 3.19 0.02 -1.27 0.11 0.16 -4.58 120.40 119.26 1p89 s VAL 164 Ca -0.01 -1.17 -0.24 0.00 -2.93 0.00 0.00 61.98 57.63 1p89 s VAL 164 Cb -0.16 -2.43 -0.05 0.00 -1.53 0.00 0.00 36.38 32.21 1p89 s VAL 164 CO -0.09 0.23 0.73 -0.62 -3.33 0.00 0.00 175.10 172.02 1p89 s ASP 165 N -1.82 7.15 -0.01 3.54 -1.08 -1.26 0.71 116.67 123.90 1p89 s ASP 165 Ca 0.18 1.37 -0.21 0.00 -0.52 0.00 0.00 52.55 53.38 1p89 s ASP 165 Cb -0.11 -2.44 -0.25 0.00 -1.46 0.00 0.00 42.92 38.66 1p89 s ASP 165 CO 0.10 0.02 1.06 1.23 0.52 0.00 0.00 175.17 178.09 1p89 h GLY 166 N 5.78 0.41 -1.93 2.66 0.00 -1.73 -3.43 103.07 104.82 1p89 h GLY 166 Ca -0.44 -0.75 -0.51 0.00 0.00 0.00 0.00 47.33 45.63 1p89 h GLY 166 CO 0.71 0.67 -0.95 -1.26 0.00 0.00 0.00 176.54 175.71 1p89 n SER 167 N -4.24 -2.65 -2.25 0.19 2.88 -0.75 -3.16 113.62 103.65 1p89 n SER 167 Ca -0.11 0.18 -0.07 0.00 -1.33 0.00 0.00 58.87 57.54 1p89 n SER 167 Cb 0.68 -1.06 0.03 0.00 -0.75 0.00 0.00 64.21 63.11 1p89 n SER 167 CO 0.00 0.00 0.00 0.52 -1.23 0.00 0.00 175.04 174.33 1p89 n VAL 168 N -3.69 -4.45 -1.49 2.46 0.31 -1.26 -4.84 118.33 105.37 1p89 n VAL 168 Ca 0.04 -0.57 0.06 0.00 -0.01 0.00 0.00 64.34 63.86 1p89 n VAL 168 Cb 0.57 -4.48 -0.03 0.00 -0.91 0.00 0.00 33.84 28.99 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 -2.23 -7.51 0.00 4.52 7.64 -1.26 -4.50 113.62 110.28 1p89 n SER 169 Ca -0.04 1.58 0.14 0.00 1.01 0.00 0.00 58.87 61.57 1p89 n SER 169 Cb 0.55 -4.79 0.79 0.00 -1.01 0.00 0.00 64.21 59.75 1p89 n SER 169 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 1p89 n SER 170 N -3.17 0.00 0.17 6.43 7.64 -1.26 -3.74 113.62 119.70 1p89 n SER 170 Ca -0.03 -0.57 0.18 0.00 1.01 0.00 0.00 58.87 59.46 1p89 n SER 170 Cb 0.51 -0.12 0.71 0.00 -1.01 0.00 0.00 64.21 64.30 1p89 n SER 170 CO 0.00 0.00 0.00 1.56 -3.01 0.00 0.00 175.04 173.59 1p89 h GLN 171 N 0.00 0.00 0.36 1.43 1.08 -1.91 0.89 115.11 116.96 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 0.11 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.54 1p89 h GLN 171 CO 0.00 0.00 -0.17 0.74 -0.95 0.00 0.00 178.83 178.45 1p89 h PHE 172 N 0.00 -0.45 -0.07 2.96 -1.00 -1.81 -2.75 116.94 113.83 1p89 h PHE 172 Ca 0.13 -0.01 -0.18 0.00 2.81 0.00 0.00 57.97 60.73 1p89 h PHE 172 Cb 1.10 0.15 -0.01 0.00 3.61 0.00 0.00 35.95 40.80 1p89 h PHE 172 CO 0.00 -0.21 -0.72 1.25 -1.61 0.00 0.00 178.31 177.01 1p89 h LEU 173 N -1.09 0.41 -1.87 1.54 5.85 -1.57 -2.77 115.31 115.81 1p89 h LEU 173 Ca -0.05 -0.27 0.00 0.00 0.84 0.00 0.00 57.88 58.40 1p89 h LEU 173 Cb 0.43 -0.12 -0.01 0.00 0.37 0.00 0.00 40.66 41.33 1p89 h LEU 173 CO 0.08 1.00 0.09 0.74 -0.34 0.00 0.00 178.44 180.01 1p89 h THR 174 N 0.23 1.03 0.08 1.05 2.02 0.66 0.71 112.91 118.70 1p89 h THR 174 Ca -0.03 -0.06 -0.00 0.00 0.77 0.00 0.00 66.41 67.09 1p89 h THR 174 Cb 1.29 0.84 0.00 0.00 -1.74 0.00 0.00 68.15 68.54 1p89 h THR 174 CO 0.12 0.03 -0.04 0.00 0.37 0.00 0.00 175.52 176.01 1p89 h ALA 175 N 1.92 -0.10 -0.54 6.16 0.00 -1.30 -2.66 119.26 122.74 1p89 h ALA 175 Ca 0.05 -0.28 -0.08 0.00 0.00 0.00 0.00 54.91 54.60 1p89 h ALA 175 Cb -0.02 0.04 -0.02 0.00 0.00 0.00 0.00 17.79 17.79 1p89 h ALA 175 CO -0.01 -0.23 0.02 -0.07 0.00 0.00 0.00 179.25 178.96 1p89 h LEU 176 N -0.76 0.88 -1.68 0.00 3.38 -1.20 0.81 115.31 116.74 1p89 h LEU 176 Ca -0.01 -0.22 -0.04 0.00 0.09 0.00 0.00 57.88 57.70 1p89 h LEU 176 Cb 0.59 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 41.10 1p89 h LEU 176 CO 0.02 0.93 -0.19 -0.07 0.09 0.00 0.00 178.44 179.22 1p89 h LEU 177 N 0.85 0.00 0.00 1.67 3.38 0.36 1.35 115.31 122.92 1p89 h LEU 177 Ca 0.16 0.00 -0.26 0.00 0.09 0.00 0.00 57.88 57.87 1p89 h LEU 177 Cb 0.48 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 41.18 1p89 h LEU 177 CO 0.02 0.19 -2.09 1.15 0.09 0.00 0.00 178.44 177.80 1p89 n MET 178 N -4.07 0.67 -0.03 1.13 0.00 -0.91 -4.00 117.12 109.91 1p89 n MET 178 Ca -0.02 0.03 -0.20 0.00 0.00 0.00 0.00 57.70 57.51 1p89 n MET 178 Cb 0.27 -1.60 -0.13 0.00 0.00 0.00 0.00 33.22 31.76 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 1.22 -0.80 3.17 2.02 0.88 -3.38 112.91 116.02 1p89 h THR 179 Ca -0.36 -2.35 -0.02 0.00 0.77 0.00 0.00 66.41 64.46 1p89 h THR 179 Cb 1.89 2.79 -0.04 0.00 -1.74 0.00 0.00 68.15 71.06 1p89 h THR 179 CO 0.03 0.59 0.44 0.00 0.37 0.00 0.00 175.52 176.95 1p89 h ALA 180 N -0.13 1.27 -0.84 6.16 0.00 0.16 -2.75 119.26 123.13 1p89 h ALA 180 Ca -0.23 -0.12 0.16 0.00 0.00 0.00 0.00 54.91 54.72 1p89 h ALA 180 Cb 1.47 -0.32 -0.06 0.00 0.00 0.00 0.00 17.79 18.87 1p89 h ALA 180 CO -0.01 0.59 0.55 -1.00 0.00 0.00 0.00 179.25 179.38 1p89 h PRO 181 N 1.11 0.52 -0.00 0.00 0.13 -1.71 0.34 132.00 132.39 1p89 h PRO 181 Ca 0.28 -0.03 0.00 0.00 -0.87 0.00 0.00 66.00 65.38 1p89 h PRO 181 Cb 0.02 -0.12 0.00 0.00 0.13 0.00 0.00 31.00 31.04 1p89 h PRO 181 CO -0.05 0.34 -0.18 1.28 -0.23 0.00 0.00 178.00 179.16 1p89 n LEU 182 N -4.52 0.34 -4.68 1.56 4.77 -1.05 0.14 117.00 113.57 1p89 n LEU 182 Ca 0.17 0.15 -0.42 0.00 -0.03 0.00 0.00 56.01 55.87 1p89 n LEU 182 Cb 0.54 -0.30 -0.03 0.00 -2.33 0.00 0.00 43.42 41.30 1p89 n LEU 182 CO 0.31 0.07 1.32 0.00 -1.33 0.00 0.00 177.39 177.77 1p89 s ALA 183 N -2.78 3.64 0.58 -1.18 0.00 0.12 -4.11 121.76 118.03 1p89 s ALA 183 Ca 0.19 1.05 0.37 0.00 0.00 0.00 0.00 51.96 53.57 1p89 s ALA 183 Cb 0.19 -3.71 1.40 0.00 0.00 0.00 0.00 23.12 21.00 1p89 s ALA 183 CO 0.55 -1.22 1.56 -1.00 0.00 0.00 0.00 175.76 175.66 1p89 h PRO 184 N 8.84 0.00 -6.25 0.00 0.13 -1.76 1.00 132.00 133.96 1p89 h PRO 184 Ca -0.41 0.00 -0.60 0.00 -0.87 0.00 0.00 66.00 64.12 1p89 h PRO 184 Cb 1.19 0.00 -0.09 0.00 0.13 0.00 0.00 31.00 32.23 1p89 h PRO 184 CO 0.94 0.00 -0.61 -1.21 -0.23 0.00 0.00 178.00 176.89 1p89 s GLU 185 N -4.70 2.74 -0.22 0.86 2.02 0.12 -3.91 118.70 115.60 1p89 s GLU 185 Ca -0.04 -0.88 -0.29 0.00 0.02 0.00 0.00 54.97 53.78 1p89 s GLU 185 Cb 0.20 -2.59 -0.02 0.00 0.10 0.00 0.00 34.13 31.82 1p89 s GLU 185 CO 0.69 0.50 1.58 0.34 0.02 0.00 0.00 175.26 178.39 1p89 s ASP 186 N -2.80 6.42 -0.14 -0.19 2.15 -1.26 -3.57 116.67 117.28 1p89 s ASP 186 Ca 0.29 1.59 -0.08 0.00 0.43 0.00 0.00 52.55 54.79 1p89 s ASP 186 Cb -0.11 -2.53 -0.04 0.00 -0.30 0.00 0.00 42.92 39.94 1p89 s ASP 186 CO 0.21 -1.23 0.13 -0.89 -0.17 0.00 0.00 175.17 173.22 1p89 s THR 187 N 5.07 5.38 -0.33 1.71 2.01 -0.41 -1.91 115.64 127.16 1p89 s THR 187 Ca 0.70 0.17 0.02 0.00 0.31 0.00 0.00 61.69 62.88 1p89 s THR 187 Cb -0.24 -3.37 0.10 0.00 0.01 0.00 0.00 72.50 69.00 1p89 s THR 187 CO 0.28 0.56 0.08 -0.69 -0.69 0.00 0.00 174.62 174.17 1p89 s VAL 188 N -0.56 1.65 0.12 3.82 1.01 -0.76 0.92 120.40 126.59 1p89 s VAL 188 Ca 0.12 -1.97 -0.15 0.00 0.00 0.00 0.00 61.98 59.99 1p89 s VAL 188 Cb -0.12 -2.22 -0.07 0.00 0.00 0.00 0.00 36.38 33.97 1p89 s VAL 188 CO 0.02 -0.65 0.53 -0.63 0.00 0.00 0.00 175.10 174.37 1p89 s ILE 189 N 1.17 4.86 0.43 2.22 1.01 -0.69 0.18 121.20 130.37 1p89 s ILE 189 Ca 0.11 0.88 0.07 0.00 0.00 0.00 0.00 60.65 61.70 1p89 s ILE 189 Cb -0.19 -3.76 -0.05 0.00 0.01 0.00 0.00 42.46 38.48 1p89 s ILE 189 CO -0.15 0.33 0.15 0.00 0.00 0.00 0.00 174.94 175.27 1p89 s ARG 190 N -1.73 2.17 -0.48 2.79 1.70 0.42 0.32 118.95 124.14 1p89 s ARG 190 Ca 0.35 -1.94 -0.05 0.00 -0.47 0.00 0.00 55.73 53.62 1p89 s ARG 190 Cb -0.16 -1.89 0.13 0.00 -0.57 0.00 0.00 34.95 32.45 1p89 s ARG 190 CO 0.19 -0.14 0.30 0.42 -1.08 0.00 0.00 175.30 174.98 1p89 s ILE 191 N -2.65 3.66 0.00 4.99 -1.09 0.65 0.38 121.20 127.14 1p89 s ILE 191 Ca 0.37 -2.18 0.00 0.00 -2.23 0.00 0.00 60.65 56.61 1p89 s ILE 191 Cb 0.05 -3.45 0.00 0.00 -1.58 0.00 0.00 42.46 37.48 1p89 s ILE 191 CO 0.20 -0.76 0.40 0.29 -1.23 0.00 0.00 174.94 173.84 1p89 n LYS 192 N 4.44 0.00 -1.67 2.79 5.02 0.22 -4.83 118.16 124.12 1p89 n LYS 192 Ca -0.01 0.00 -0.29 0.00 -2.02 0.00 0.00 58.31 55.98 1p89 n LYS 192 Cb 0.41 -0.89 0.10 0.00 -0.02 0.00 0.00 35.03 34.62 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 -0.10 1.60 0.05 0.72 0.00 -1.26 -4.87 107.32 103.45 1p89 s GLY 193 Ca 0.00 -0.44 -0.30 0.00 0.00 0.00 0.00 44.72 43.98 1p89 s GLY 193 CO 0.00 0.04 1.81 -0.35 0.00 0.00 0.00 173.10 174.60 1p89 s ASP 194 N -4.17 6.52 0.53 1.64 -1.08 -1.26 -2.89 116.67 115.97 1p89 s ASP 194 Ca 0.62 2.57 -0.22 0.00 -0.52 0.00 0.00 52.55 55.00 1p89 s ASP 194 Cb -0.13 -2.55 -0.06 0.00 -1.46 0.00 0.00 42.92 38.72 1p89 s ASP 194 CO 0.52 -0.98 1.20 -0.11 0.52 0.00 0.00 175.17 176.33 1p89 n LEU 195 N 6.63 4.55 -0.01 -1.34 7.94 -1.26 -1.81 117.00 131.70 1p89 n LEU 195 Ca 0.18 0.95 0.09 0.00 -1.11 0.00 0.00 56.01 56.12 1p89 n LEU 195 Cb 0.41 -1.49 -0.14 0.00 0.53 0.00 0.00 43.42 42.72 1p89 n LEU 195 CO 0.65 -1.03 -0.72 0.55 -1.11 0.00 0.00 177.39 175.73 1p89 n VAL 196 N -1.07 0.01 -2.50 1.96 3.14 -1.19 -4.49 118.33 114.19 1p89 n VAL 196 Ca 0.11 -0.42 -0.17 0.00 -2.96 0.00 0.00 64.34 60.90 1p89 n VAL 196 Cb 0.44 0.08 0.02 0.00 -1.06 0.00 0.00 33.84 33.32 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 -2.14 3.32 -0.17 6.55 7.64 -1.26 -4.92 113.62 122.64 1p89 n SER 197 Ca -0.04 -3.16 -0.06 0.00 1.01 0.00 0.00 58.87 56.62 1p89 n SER 197 Cb 0.48 -0.46 -0.05 0.00 -1.01 0.00 0.00 64.21 63.17 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 2.62 -0.07 0.00 1.43 3.64 -1.96 0.43 116.57 122.67 1p89 h LYS 198 Ca 0.13 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.51 1p89 h LYS 198 Cb 1.18 0.02 0.00 0.00 -0.41 0.00 0.00 32.23 33.01 1p89 h LYS 198 CO 0.62 -0.04 0.00 -1.00 -2.27 0.00 0.00 179.45 176.76 1p89 h PRO 199 N -0.07 0.00 -0.00 1.90 0.13 -1.98 -2.52 132.00 129.46 1p89 h PRO 199 Ca 0.07 0.00 -0.15 0.00 -0.87 0.00 0.00 66.00 65.05 1p89 h PRO 199 Cb 0.25 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 31.36 1p89 h PRO 199 CO -0.43 0.00 -0.71 1.88 -0.23 0.00 0.00 178.00 178.51 1p89 h TYR 200 N 0.00 0.00 -0.09 1.56 -1.99 -0.97 -3.02 116.97 112.47 1p89 h TYR 200 Ca 0.00 -0.00 -0.10 0.00 2.00 0.00 0.00 58.73 60.63 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 0.71 -0.39 0.97 -0.00 0.00 0.00 178.16 179.45 1p89 h ILE 201 N 0.00 1.30 -0.10 -2.88 6.09 0.14 -2.20 117.51 119.86 1p89 h ILE 201 Ca -0.01 -1.46 0.03 0.00 -1.37 0.00 0.00 64.86 62.06 1p89 h ILE 201 Cb 1.26 1.68 -0.00 0.00 0.47 0.00 0.00 36.82 40.22 1p89 h ILE 201 CO 0.09 0.43 0.08 0.44 -3.07 0.00 0.00 178.15 176.12 1p89 h ASP 202 N 0.16 0.00 0.54 2.19 3.32 -1.59 0.22 116.42 121.25 1p89 h ASP 202 Ca 0.02 0.00 -0.11 0.00 0.02 0.00 0.00 57.03 56.95 1p89 h ASP 202 Cb 0.77 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 40.31 1p89 h ASP 202 CO 0.06 0.00 -0.53 0.40 -1.72 0.00 0.00 179.24 177.45 1p89 h ILE 203 N 0.00 1.37 0.49 0.35 2.04 -1.48 0.16 117.51 120.44 1p89 h ILE 203 Ca 0.05 -1.82 -0.02 0.00 1.00 0.00 0.00 64.86 64.07 1p89 h ILE 203 Cb 0.20 1.98 0.00 0.00 -0.74 0.00 0.00 36.82 38.27 1p89 h ILE 203 CO -0.00 0.52 -0.23 0.74 0.00 0.00 0.00 178.15 179.17 1p89 h THR 204 N 0.00 0.51 -0.16 -0.27 2.02 -0.56 1.05 112.91 115.50 1p89 h THR 204 Ca -0.01 -0.14 -0.12 0.00 0.77 0.00 0.00 66.41 66.92 1p89 h THR 204 Cb 0.94 0.58 -0.01 0.00 -1.74 0.00 0.00 68.15 67.92 1p89 h THR 204 CO 0.07 0.03 -0.41 -0.07 0.37 0.00 0.00 175.52 175.51 1p89 h LEU 205 N -0.74 0.38 -1.40 2.58 3.38 -1.50 0.37 115.31 118.38 1p89 h LEU 205 Ca -0.07 -0.16 -0.04 0.00 0.09 0.00 0.00 57.88 57.70 1p89 h LEU 205 Cb 0.54 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 41.18 1p89 h LEU 205 CO 0.11 0.75 -0.21 -1.13 0.09 0.00 0.00 178.44 178.05 1p89 h ASN 206 N 0.30 0.00 0.16 -0.43 -1.24 -0.43 0.40 115.58 114.34 1p89 h ASN 206 Ca 0.03 0.00 -0.27 0.00 0.71 0.00 0.00 56.30 56.77 1p89 h ASN 206 Cb 0.85 0.00 0.03 0.00 0.73 0.00 0.00 38.32 39.93 1p89 h ASN 206 CO 0.07 0.21 -1.16 0.25 -1.29 0.00 0.00 177.43 175.51 1p89 h LEU 207 N 0.00 0.74 -0.41 0.34 7.12 0.20 -2.95 115.31 120.34 1p89 h LEU 207 Ca -0.00 -0.89 -0.16 0.00 0.13 0.00 0.00 57.88 56.96 1p89 h LEU 207 Cb 0.61 -0.24 -0.00 0.00 -0.53 0.00 0.00 40.66 40.50 1p89 h LEU 207 CO 0.03 1.56 -0.44 0.24 -0.13 0.00 0.00 178.44 179.69 1p89 h MET 208 N 0.03 0.85 -0.53 1.25 2.86 -0.52 -3.05 114.93 115.82 1p89 h MET 208 Ca -0.19 -0.48 -0.06 0.00 -2.06 0.00 0.00 59.70 56.91 1p89 h MET 208 Cb 1.89 0.03 -0.02 0.00 0.06 0.00 0.00 31.60 33.55 1p89 h MET 208 CO 0.22 1.12 0.10 1.57 1.06 0.00 0.00 176.91 180.98 1p89 h LYS 209 N 0.68 0.87 -0.11 1.72 2.10 0.14 -1.05 116.57 120.92 1p89 h LYS 209 Ca 0.04 -0.22 0.01 0.00 -2.00 0.00 0.00 60.65 58.48 1p89 h LYS 209 Cb 1.03 -0.11 -0.01 0.00 -0.90 0.00 0.00 32.23 32.25 1p89 h LYS 209 CO 0.10 0.84 0.07 0.00 -2.00 0.00 0.00 179.45 178.47 1p89 h THR 210 N 0.76 1.00 0.15 0.07 1.03 -1.52 -2.45 112.91 111.95 1p89 h THR 210 Ca 0.16 -0.03 -0.01 0.00 -0.01 0.00 0.00 66.41 66.52 1p89 h THR 210 Cb 0.38 0.89 0.00 0.00 -1.07 0.00 0.00 68.15 68.36 1p89 h THR 210 CO 0.01 0.02 -0.07 -0.26 -0.01 0.00 0.00 175.52 175.20 1p89 h PHE 211 N 0.10 -0.19 0.00 0.00 -1.00 -1.28 -3.43 116.94 111.13 1p89 h PHE 211 Ca 0.04 -0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.82 1p89 h PHE 211 Cb 0.06 0.06 0.00 0.00 3.61 0.00 0.00 35.95 39.69 1p89 h PHE 211 CO -0.00 0.25 0.00 0.41 -1.61 0.00 0.00 178.31 177.36 1p89 n GLY 212 N 0.36 -0.04 3.34 -1.45 0.00 -0.50 -2.82 105.19 104.08 1p89 n GLY 212 Ca -0.08 0.00 -0.30 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 2.15 0.08 1.61 1.01 -0.58 -4.81 120.40 119.85 1p89 s VAL 213 Ca 0.00 -1.29 0.02 0.00 0.00 0.00 0.00 61.98 60.71 1p89 s VAL 213 Cb 0.00 -1.81 -0.04 0.00 0.00 0.00 0.00 36.38 34.54 1p89 s VAL 213 CO 0.00 0.43 -0.07 -1.61 0.00 0.00 0.00 175.10 173.85 1p89 s GLU 214 N -1.05 0.73 0.39 2.72 2.02 -1.26 -1.10 118.70 121.16 1p89 s GLU 214 Ca 0.11 -1.12 0.04 0.00 0.02 0.00 0.00 54.97 54.02 1p89 s GLU 214 Cb -0.10 -0.28 -0.03 0.00 0.10 0.00 0.00 34.13 33.82 1p89 s GLU 214 CO 0.01 0.02 0.11 0.96 0.02 0.00 0.00 175.26 176.38 1p89 s ILE 215 N -2.72 0.76 -0.16 -1.63 -5.25 -1.26 -4.46 121.20 106.47 1p89 s ILE 215 Ca 0.04 -2.00 -0.20 0.00 -0.99 0.00 0.00 60.65 57.50 1p89 s ILE 215 Cb -0.01 -2.44 -0.03 0.00 2.95 0.00 0.00 42.46 42.93 1p89 s ILE 215 CO -0.02 0.00 0.56 -0.70 -1.79 0.00 0.00 174.94 172.99 1p89 s GLU 216 N -3.77 4.27 -0.51 0.37 2.56 0.47 -4.97 118.70 117.12 1p89 s GLU 216 Ca 0.26 0.54 -0.14 0.00 0.00 0.00 0.00 54.97 55.62 1p89 s GLU 216 Cb 0.04 -3.52 0.11 0.00 2.00 0.00 0.00 34.13 32.77 1p89 s GLU 216 CO 0.14 -0.06 0.44 -0.80 -0.56 0.00 0.00 175.26 174.42 1p89 s ASN 217 N 0.98 6.07 0.89 -1.70 0.01 -1.26 -0.52 114.94 119.40 1p89 s ASN 217 Ca 0.28 -1.71 0.00 0.00 -0.71 0.00 0.00 52.86 50.72 1p89 s ASN 217 Cb -0.16 -2.16 0.00 0.00 0.41 0.00 0.00 41.25 39.34 1p89 s ASN 217 CO 0.11 -0.78 0.00 0.00 -1.51 0.00 0.00 177.10 174.92 1p89 n GLN 218 N 5.17 -1.01 -0.64 -0.60 1.13 -0.72 -4.75 117.38 115.96 1p89 n GLN 218 Ca -0.12 0.00 -0.07 0.00 -1.94 0.00 0.00 57.00 54.86 1p89 n GLN 218 Cb 0.41 0.00 -0.10 0.00 0.11 0.00 0.00 30.24 30.66 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 -2.41 0.00 -1.50 1.08 8.25 -1.26 -4.50 115.22 114.88 1p89 n HIS 219 Ca 0.00 -0.99 -0.17 0.00 -0.26 0.00 0.00 57.72 56.30 1p89 n HIS 219 Cb 0.00 -1.11 -0.07 0.00 1.12 0.00 0.00 29.99 29.93 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 2.50 -0.05 -0.01 4.41 4.01 -1.26 -4.74 117.16 122.01 1p89 n TYR 220 Ca 0.25 0.00 0.02 0.00 -0.16 0.00 0.00 57.90 58.02 1p89 n TYR 220 Cb 0.59 -3.18 -0.07 0.00 -0.31 0.00 0.00 39.34 36.37 1p89 n TYR 220 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1p89 n GLN 221 N -1.90 0.88 -3.77 -0.72 10.64 -1.26 -4.80 117.38 116.44 1p89 n GLN 221 Ca -0.17 -0.06 -0.13 0.00 -1.83 0.00 0.00 57.00 54.81 1p89 n GLN 221 Cb 0.63 -1.22 -0.11 0.00 -0.86 0.00 0.00 30.24 28.68 1p89 n GLN 221 CO 0.00 0.00 0.00 -0.65 -1.83 0.00 0.00 177.06 174.58 1p89 s GLN 222 N -2.52 0.34 -0.47 2.61 -0.21 -1.26 0.24 119.66 118.39 1p89 s GLN 222 Ca -0.04 0.40 -0.05 0.00 0.02 0.00 0.00 55.36 55.70 1p89 s GLN 222 Cb 0.05 0.16 0.12 0.00 1.00 0.00 0.00 33.01 34.34 1p89 s GLN 222 CO 0.37 -0.04 0.29 -0.06 -2.12 0.00 0.00 175.29 173.73 1p89 s PHE 223 N 0.17 3.52 -0.44 0.91 0.40 0.97 -1.76 117.98 121.75 1p89 s PHE 223 Ca -0.00 -2.32 -0.27 0.00 -0.60 0.00 0.00 56.93 53.74 1p89 s PHE 223 Cb -0.02 -3.31 0.03 0.00 0.51 0.00 0.00 43.02 40.23 1p89 s PHE 223 CO 0.00 -0.96 1.02 0.08 0.70 0.00 0.00 175.22 176.07 1p89 s VAL 224 N 1.00 4.39 -0.37 -0.44 1.01 0.32 -1.71 120.40 124.60 1p89 s VAL 224 Ca 0.09 1.11 -0.15 0.00 0.00 0.00 0.00 61.98 63.03 1p89 s VAL 224 Cb -0.23 -4.48 -0.00 0.00 0.00 0.00 0.00 36.38 31.66 1p89 s VAL 224 CO -0.03 -0.82 0.33 0.68 0.00 0.00 0.00 175.10 175.25 1p89 s VAL 225 N 3.98 5.21 -0.45 2.92 -7.23 0.26 0.18 120.40 125.26 1p89 s VAL 225 Ca 0.42 -0.22 -0.27 0.00 -1.81 0.00 0.00 61.98 60.11 1p89 s VAL 225 Cb -0.09 -3.84 -0.04 0.00 0.56 0.00 0.00 36.38 32.96 1p89 s VAL 225 CO 0.26 -0.16 2.07 -0.54 -0.31 0.00 0.00 175.10 176.42 1p89 s LYS 226 N 1.89 2.71 0.83 4.82 3.01 -1.26 -1.28 119.74 130.45 1p89 s LYS 226 Ca 0.09 1.25 -0.13 0.00 -1.01 0.00 0.00 55.97 56.17 1p89 s LYS 226 Cb -0.17 -4.40 0.08 0.00 -1.01 0.00 0.00 37.83 32.33 1p89 s LYS 226 CO 0.11 -2.60 1.07 0.41 0.51 0.00 0.00 175.35 174.85 1p89 n GLY 227 N 5.74 -0.37 1.26 -3.33 0.00 -1.23 -3.61 105.19 103.64 1p89 n GLY 227 Ca 0.27 -0.54 0.00 0.00 0.00 0.00 0.00 46.02 45.76 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 0.68 0.68 3.94 -0.02 0.00 0.35 -4.68 105.19 106.14 1p89 n GLY 228 Ca 0.12 -0.06 -0.30 0.00 0.00 0.00 0.00 46.02 45.78 1p89 n GLY 228 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1p89 s GLN 229 N -0.45 0.44 -0.30 1.61 -1.52 0.38 -4.94 119.66 114.88 1p89 s GLN 229 Ca 0.00 -0.54 -0.12 0.00 -1.95 0.00 0.00 55.36 52.75 1p89 s GLN 229 Cb 0.00 -1.85 0.18 0.00 -0.22 0.00 0.00 33.01 31.12 1p89 s GLN 229 CO 0.00 -2.53 1.04 -1.12 -0.25 0.00 0.00 175.29 172.44 1p89 s SER 230 N -4.94 -0.46 0.67 5.90 0.01 -1.26 -4.18 113.70 109.43 1p89 s SER 230 Ca 0.76 0.21 -0.17 0.00 1.31 0.00 0.00 55.95 58.06 1p89 s SER 230 Cb -0.03 1.36 -0.02 0.00 0.21 0.00 0.00 66.02 67.54 1p89 s SER 230 CO 0.53 -0.09 0.89 -1.22 0.41 0.00 0.00 173.24 173.76 1p89 n TYR 231 N 5.37 0.46 -4.96 2.43 4.01 -1.25 -4.69 117.16 118.52 1p89 n TYR 231 Ca -0.02 0.40 -0.28 0.00 -0.16 0.00 0.00 57.90 57.84 1p89 n TYR 231 Cb 0.55 -2.07 -0.15 0.00 -0.31 0.00 0.00 39.34 37.36 1p89 n TYR 231 CO 0.00 0.00 0.00 1.14 -0.46 0.00 0.00 176.86 177.54 1p89 s GLN 232 N -2.99 1.74 -0.80 -0.72 -2.07 -1.13 0.19 119.66 113.88 1p89 s GLN 232 Ca 0.73 -0.94 -0.27 0.00 -1.82 0.00 0.00 55.36 53.06 1p89 s GLN 232 Cb -0.37 -1.79 -0.17 0.00 -1.09 0.00 0.00 33.01 29.59 1p89 s GLN 232 CO 0.50 0.48 2.54 0.45 -1.32 0.00 0.00 175.29 177.93 1p89 n SER 233 N 2.13 1.01 0.23 12.60 2.88 -1.08 -4.39 113.62 127.00 1p89 n SER 233 Ca -0.16 -0.23 0.09 0.00 -1.33 0.00 0.00 58.87 57.24 1p89 n SER 233 Cb 0.52 -1.18 0.56 0.00 -0.75 0.00 0.00 64.21 63.36 1p89 n SER 233 CO 0.00 0.00 0.00 1.55 -1.23 0.00 0.00 175.04 175.36 1p89 h PRO 234 N 14.87 0.00 0.00 -1.46 0.13 -1.84 -3.49 132.00 140.21 1p89 h PRO 234 Ca -0.11 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.02 1p89 h PRO 234 Cb 1.27 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.40 1p89 h PRO 234 CO 1.30 0.21 0.00 0.41 -0.23 0.00 0.00 178.00 179.69 1p89 n GLY 235 N -0.41 0.51 3.57 1.56 0.00 -1.26 -4.94 105.19 104.22 1p89 n GLY 235 Ca -0.01 -1.19 -0.40 0.00 0.00 0.00 0.00 46.02 44.42 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 5.14 -0.11 2.61 2.01 -1.26 0.11 115.64 124.13 1p89 s THR 236 Ca 0.00 0.35 0.02 0.00 0.31 0.00 0.00 61.69 62.37 1p89 s THR 236 Cb 0.00 -3.80 -0.01 0.00 0.01 0.00 0.00 72.50 68.70 1p89 s THR 236 CO 0.00 -0.01 -0.18 -0.47 -0.69 0.00 0.00 174.62 173.27 1p89 s TYR 237 N 2.13 2.70 -0.50 4.92 5.04 0.33 -4.92 117.35 127.05 1p89 s TYR 237 Ca 0.15 -0.78 -0.20 0.00 -2.44 0.00 0.00 57.07 53.80 1p89 s TYR 237 Cb -0.16 -1.78 0.05 0.00 0.35 0.00 0.00 41.96 40.43 1p89 s TYR 237 CO 0.11 -0.27 0.65 -1.17 -1.34 0.00 0.00 175.55 173.53 1p89 s LEU 238 N 0.28 4.84 0.17 6.97 1.98 -1.26 0.17 118.68 131.83 1p89 s LEU 238 Ca -0.13 -0.80 -0.20 0.00 -2.89 0.00 0.00 54.13 50.11 1p89 s LEU 238 Cb -0.16 -2.50 0.10 0.00 0.66 0.00 0.00 46.19 44.28 1p89 s LEU 238 CO 0.07 -0.90 1.61 0.58 -1.89 0.00 0.00 176.35 175.82 1p89 h VAL 239 N 5.87 0.31 0.00 1.68 2.07 -1.21 -3.47 116.25 121.50 1p89 h VAL 239 Ca -0.27 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.25 1p89 h VAL 239 Cb 1.09 0.31 0.00 0.00 -1.52 0.00 0.00 31.29 31.18 1p89 h VAL 239 CO 0.96 0.00 0.00 1.21 0.02 0.00 0.00 177.57 179.76