#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1twh n ASN 3 N 0.00 0.00 -2.69 4.04 3.02 -1.26 -5.09 115.26 113.28 1twh n ASN 3 Ca 0.00 -0.60 -0.14 0.00 -0.03 0.00 0.00 54.58 53.80 1twh n ASN 3 Cb 0.00 0.00 -0.05 0.00 -0.61 0.00 0.00 39.78 39.12 1twh n ASN 3 CO 0.00 0.00 0.00 1.07 -2.62 0.00 0.00 177.26 175.71 1twh n THR 4 N 0.00 0.00 -0.89 3.41 5.66 -1.26 -4.47 114.28 116.73 1twh n THR 4 Ca 0.00 -1.58 0.00 0.00 -3.05 0.00 0.00 64.05 59.42 1twh n THR 4 Cb 0.00 0.70 0.00 0.00 -1.55 0.00 0.00 70.33 69.48 1twh n THR 4 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1twh n LEU 5 N 0.00 0.00 -3.60 1.09 -0.00 -0.84 -4.90 117.00 108.76 1twh n LEU 5 Ca 0.02 0.00 -0.11 0.00 -0.00 0.00 0.00 56.01 55.92 1twh n LEU 5 Cb 0.40 0.00 -0.03 0.00 -0.00 0.00 0.00 43.42 43.78 1twh n LEU 5 CO 0.21 0.11 0.28 0.12 -0.00 0.00 0.00 177.39 178.10 1twh s PHE 6 N 0.00 -0.29 0.00 1.47 5.36 -1.01 -4.83 117.98 118.68 1twh s PHE 6 Ca 0.00 -0.01 0.00 0.00 -0.96 0.00 0.00 56.93 55.96 1twh s PHE 6 Cb 0.00 0.41 0.00 0.00 -0.34 0.00 0.00 43.02 43.09 1twh s PHE 6 CO 0.00 -0.83 0.00 -3.47 -1.46 0.00 0.00 175.22 169.46 1twh n ASP 7 N -0.32 0.00 -0.19 6.13 -0.08 -1.25 -2.47 116.55 118.38 1twh n ASP 7 Ca -0.14 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.14 1twh n ASP 7 Cb 0.64 0.00 0.00 0.00 2.34 0.00 0.00 41.12 44.10 1twh n ASP 7 CO 0.00 0.00 0.00 -0.67 0.12 0.00 0.00 177.20 176.65 1twh n ASP 8 N 0.00 0.00 -3.80 1.67 4.64 -1.17 -4.96 116.55 112.93 1twh n ASP 8 Ca 0.00 -0.19 -0.13 0.00 -1.38 0.00 0.00 54.79 53.09 1twh n ASP 8 Cb 0.00 0.00 -0.12 0.00 -1.04 0.00 0.00 41.12 39.96 1twh n ASP 8 CO 0.00 0.00 0.00 -0.63 -0.82 0.00 0.00 177.20 175.75 1twh s ILE 9 N -2.04 0.00 0.14 5.18 1.09 -1.26 -2.51 121.20 121.81 1twh s ILE 9 Ca 0.00 -0.02 0.00 0.00 -1.10 0.00 0.00 60.65 59.54 1twh s ILE 9 Cb 0.00 -0.31 -0.04 0.00 -1.06 0.00 0.00 42.46 41.05 1twh s ILE 9 CO 0.00 -0.01 0.02 -0.36 -0.10 0.00 0.00 174.94 174.49 1twh s PHE 10 N 0.07 1.01 -0.19 3.97 0.40 0.18 -2.47 117.98 120.95 1twh s PHE 10 Ca -0.00 -1.11 0.00 0.00 -0.60 0.00 0.00 56.93 55.22 1twh s PHE 10 Cb -0.02 -0.58 0.04 0.00 0.51 0.00 0.00 43.02 42.98 1twh s PHE 10 CO 0.00 -0.35 -0.07 -1.14 0.70 0.00 0.00 175.22 174.37 1twh s GLN 11 N -3.97 1.64 -0.43 0.44 2.00 0.49 0.29 119.66 120.13 1twh s GLN 11 Ca 0.22 -0.68 -0.28 0.00 -2.00 0.00 0.00 55.36 52.62 1twh s GLN 11 Cb 0.07 -2.21 0.02 0.00 0.80 0.00 0.00 33.01 31.69 1twh s GLN 11 CO 0.02 -0.45 1.07 0.08 -0.50 0.00 0.00 175.29 175.51 1twh s VAL 12 N 1.53 4.35 0.18 1.34 1.01 -1.04 -0.23 120.40 127.54 1twh s VAL 12 Ca -0.01 1.28 -0.04 0.00 0.00 0.00 0.00 61.98 63.21 1twh s VAL 12 Cb -0.16 -4.51 -0.07 0.00 0.00 0.00 0.00 36.38 31.64 1twh s VAL 12 CO -0.08 -0.82 1.48 0.28 0.00 0.00 0.00 175.10 175.97 1twh h SER 13 N 8.87 0.66 -4.40 3.32 0.02 1.40 0.24 113.55 123.65 1twh h SER 13 Ca -0.23 -0.36 -0.03 0.00 -0.84 0.00 0.00 61.79 60.33 1twh h SER 13 Cb 1.06 -0.19 -0.21 0.00 0.14 0.00 0.00 62.40 63.21 1twh h SER 13 CO 1.08 1.09 0.23 -1.61 -1.14 0.00 0.00 176.83 176.48 1twh s GLU 14 N -3.97 0.89 -0.22 3.45 2.02 -0.89 -4.68 118.70 115.29 1twh s GLU 14 Ca -0.08 0.54 -0.04 0.00 0.02 0.00 0.00 54.97 55.41 1twh s GLU 14 Cb 0.11 0.42 0.08 0.00 0.10 0.00 0.00 34.13 34.84 1twh s GLU 14 CO 0.85 -0.21 0.10 0.08 0.02 0.00 0.00 175.26 176.10 1twh s VAL 15 N -0.50 -0.01 -0.08 2.63 1.01 -1.26 -2.03 120.40 120.16 1twh s VAL 15 Ca -0.05 -0.44 -0.25 0.00 0.00 0.00 0.00 61.98 61.24 1twh s VAL 15 Cb -0.02 -0.78 -0.03 0.00 0.00 0.00 0.00 36.38 35.54 1twh s VAL 15 CO 0.05 -0.45 0.77 -0.62 0.00 0.00 0.00 175.10 174.85 1twh s ASP 16 N 2.09 7.03 -0.13 3.32 2.15 -1.09 -4.98 116.67 125.07 1twh s ASP 16 Ca 0.05 1.25 0.16 0.00 0.43 0.00 0.00 52.55 54.44 1twh s ASP 16 Cb -0.16 -2.44 0.62 0.00 -0.30 0.00 0.00 42.92 40.64 1twh s ASP 16 CO -0.19 -0.21 1.54 -0.81 -0.17 0.00 0.00 175.17 175.32 1twh n PRO 17 N 4.19 3.56 -1.10 4.34 -0.04 -1.26 0.11 135.00 144.80 1twh n PRO 17 Ca 0.01 -2.78 -0.29 0.00 -0.04 0.00 0.00 63.50 60.40 1twh n PRO 17 Cb 0.51 -1.83 -0.11 0.00 -0.04 0.00 0.00 33.50 32.02 1twh n PRO 17 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1twh n GLY 18 N 0.58 -0.36 0.84 0.55 0.00 -1.26 -2.92 105.19 102.62 1twh n GLY 18 Ca 0.23 0.81 0.00 0.00 0.00 0.00 0.00 46.02 47.05 1twh n GLY 18 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1twh n ARG 19 N 6.12 0.00 -2.06 1.61 5.12 -1.26 -4.98 116.66 121.21 1twh n ARG 19 Ca 0.48 0.00 -0.34 0.00 -1.93 0.00 0.00 57.85 56.07 1twh n ARG 19 Cb 0.03 0.00 0.02 0.00 -1.16 0.00 0.00 32.46 31.34 1twh n ARG 19 CO 0.00 0.00 0.00 0.71 -1.93 0.00 0.00 177.63 176.41 1twh s TYR 20 N -0.78 2.79 -0.27 -1.55 4.12 -1.15 -5.03 117.35 115.48 1twh s TYR 20 Ca 0.00 1.54 0.17 0.00 0.02 0.00 0.00 57.07 58.80 1twh s TYR 20 Cb 0.00 -3.14 -0.24 0.00 -1.52 0.00 0.00 41.96 37.06 1twh s TYR 20 CO 0.00 -1.38 0.49 0.09 0.02 0.00 0.00 175.55 174.77 1twh n ASN 21 N -1.86 0.95 -0.04 2.29 3.02 -1.26 -4.65 115.26 113.71 1twh n ASN 21 Ca 0.10 -0.29 0.04 0.00 -0.03 0.00 0.00 54.58 54.40 1twh n ASN 21 Cb 0.52 1.54 -0.04 0.00 -0.61 0.00 0.00 39.78 41.19 1twh n ASN 21 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 1twh n LYS 22 N -1.88 3.81 -4.65 3.52 5.02 -1.26 -4.98 118.16 117.74 1twh n LYS 22 Ca -0.01 -0.12 -0.27 0.00 -2.02 0.00 0.00 58.31 55.89 1twh n LYS 22 Cb 0.39 -0.92 -0.14 0.00 -0.02 0.00 0.00 35.03 34.34 1twh n LYS 22 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1twh s VAL 23 N -1.67 1.82 0.07 -0.18 1.01 -1.26 -1.47 120.40 118.73 1twh s VAL 23 Ca 0.04 -1.32 -0.08 0.00 0.00 0.00 0.00 61.98 60.62 1twh s VAL 23 Cb 0.06 -1.59 -0.00 0.00 0.00 0.00 0.00 36.38 34.85 1twh s VAL 23 CO 0.31 0.21 0.17 0.00 0.00 0.00 0.00 175.10 175.80 1twh s ARG 25 N -3.31 2.83 -0.23 0.00 3.52 0.31 -1.44 118.95 120.63 1twh s ARG 25 Ca 0.01 -1.03 -0.29 0.00 -0.13 0.00 0.00 55.73 54.28 1twh s ARG 25 Cb 0.02 -3.43 -0.00 0.00 -1.56 0.00 0.00 34.95 29.98 1twh s ARG 25 CO -0.08 -0.57 1.21 0.42 -0.81 0.00 0.00 175.30 175.47 1twh s ILE 26 N 1.45 4.34 -0.57 4.11 1.01 0.34 -2.68 121.20 129.20 1twh s ILE 26 Ca 0.00 1.59 -0.28 0.00 0.00 0.00 0.00 60.65 61.96 1twh s ILE 26 Cb -0.18 -4.15 0.03 0.00 0.01 0.00 0.00 42.46 38.17 1twh s ILE 26 CO 0.03 -0.27 1.20 -1.61 0.00 0.00 0.00 174.94 174.28 1twh s GLU 27 N 3.64 3.53 0.02 2.79 2.02 -0.86 -0.29 118.70 129.54 1twh s GLU 27 Ca 0.52 0.28 0.04 0.00 0.02 0.00 0.00 54.97 55.83 1twh s GLU 27 Cb -0.18 -4.01 -0.04 0.00 0.10 0.00 0.00 34.13 30.01 1twh s GLU 27 CO 0.15 -1.67 -0.06 0.00 0.02 0.00 0.00 175.26 173.71 1twh s ALA 28 N 4.95 3.07 0.25 5.21 0.00 -0.86 0.55 121.76 134.94 1twh s ALA 28 Ca 0.44 -1.05 0.07 0.00 0.00 0.00 0.00 51.96 51.42 1twh s ALA 28 Cb -0.07 -1.14 -0.04 0.00 0.00 0.00 0.00 23.12 21.87 1twh s ALA 28 CO 0.26 0.63 0.21 0.00 0.00 0.00 0.00 175.76 176.86 1twh s ALA 29 N -1.06 3.62 0.06 0.00 0.00 0.68 -2.07 121.76 122.98 1twh s ALA 29 Ca 0.19 -1.41 -0.21 0.00 0.00 0.00 0.00 51.96 50.53 1twh s ALA 29 Cb -0.11 -1.33 -0.06 0.00 0.00 0.00 0.00 23.12 21.61 1twh s ALA 29 CO 0.10 0.25 0.61 0.45 0.00 0.00 0.00 175.76 177.16 1twh s SER 30 N -3.86 7.08 -0.47 0.00 0.15 -0.90 -0.38 113.70 115.33 1twh s SER 30 Ca 0.33 1.28 -0.21 0.00 0.70 0.00 0.00 55.95 58.06 1twh s SER 30 Cb -0.08 -2.38 0.03 0.00 -1.71 0.00 0.00 66.02 61.88 1twh s SER 30 CO 0.25 0.20 0.66 0.42 1.20 0.00 0.00 173.24 175.98 1twh s THR 31 N -0.78 4.81 0.00 6.45 -4.23 -1.03 -4.15 115.64 116.70 1twh s THR 31 Ca 0.31 -0.04 0.00 0.00 -1.18 0.00 0.00 61.69 60.78 1twh s THR 31 Cb -0.20 -4.26 0.00 0.00 1.34 0.00 0.00 72.50 69.39 1twh s THR 31 CO 0.19 -0.69 0.00 0.41 -0.54 0.00 0.00 174.62 173.99 1twh n THR 32 N 5.81 0.00 -1.74 3.99 -1.04 -1.26 -4.75 114.28 115.29 1twh n THR 32 Ca -0.03 0.00 -0.41 0.00 -2.04 0.00 0.00 64.05 61.58 1twh n THR 32 Cb 0.47 0.00 -0.03 0.00 -1.82 0.00 0.00 70.33 68.95 1twh n THR 32 CO 0.00 0.00 0.00 -1.10 -0.64 0.00 0.00 175.07 173.33 1twh s GLN 33 N 0.00 2.83 0.33 -2.82 1.11 -1.26 -4.91 119.66 114.94 1twh s GLN 33 Ca 0.00 1.53 0.29 0.00 0.01 0.00 0.00 55.36 57.19 1twh s GLN 33 Cb 0.00 -4.39 1.06 0.00 -1.01 0.00 0.00 33.01 28.67 1twh s GLN 33 CO 0.00 -2.45 0.98 -0.25 0.01 0.00 0.00 175.29 173.58 1twh n ASP 34 N 12.66 0.03 0.00 5.90 9.92 -1.26 -4.09 116.55 139.71 1twh n ASP 34 Ca 0.29 0.69 0.00 0.00 -0.53 0.00 0.00 54.79 55.24 1twh n ASP 34 Cb 0.49 -0.34 0.00 0.00 -0.64 0.00 0.00 41.12 40.63 1twh n ASP 34 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1twh n GLN 35 N -3.39 0.00 -1.68 -1.24 6.02 -1.26 -4.98 117.38 110.85 1twh n GLN 35 Ca 0.28 0.11 -0.50 0.00 -0.01 0.00 0.00 57.00 56.88 1twh n GLN 35 Cb 1.21 -0.54 -0.05 0.00 1.02 0.00 0.00 30.24 31.88 1twh n GLN 35 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1twh s LYS 37 N 3.22 1.41 -0.03 0.00 2.20 -0.40 -2.12 119.74 124.01 1twh s LYS 37 Ca 0.91 -1.66 -0.01 0.00 -0.36 0.00 0.00 55.97 54.85 1twh s LYS 37 Cb -0.79 -1.11 0.03 0.00 -1.51 0.00 0.00 37.83 34.44 1twh s LYS 37 CO 0.52 0.12 0.04 -1.17 -0.36 0.00 0.00 175.35 174.51 1twh s LEU 38 N -3.36 0.51 -0.14 5.43 2.96 -0.88 -1.94 118.68 121.26 1twh s LEU 38 Ca 0.25 0.05 0.01 0.00 -0.22 0.00 0.00 54.13 54.23 1twh s LEU 38 Cb 0.01 -0.14 -0.00 0.00 0.50 0.00 0.00 46.19 46.56 1twh s LEU 38 CO 0.09 -0.20 -0.18 -0.89 -1.32 0.00 0.00 176.35 173.85 1twh s THR 39 N 1.75 2.48 -0.26 3.68 2.01 -0.73 -2.02 115.64 122.55 1twh s THR 39 Ca -0.00 -0.85 -0.27 0.00 0.31 0.00 0.00 61.69 60.88 1twh s THR 39 Cb -0.12 -2.02 0.16 0.00 0.01 0.00 0.00 72.50 70.53 1twh s THR 39 CO -0.03 0.53 1.24 -0.22 -0.69 0.00 0.00 174.62 175.45 1twh s LEU 40 N 0.67 -0.19 -0.26 4.42 2.96 0.60 -2.40 118.68 124.48 1twh s LEU 40 Ca -0.09 0.29 -0.11 0.00 -0.22 0.00 0.00 54.13 54.01 1twh s LEU 40 Cb -0.16 1.41 -0.05 0.00 0.50 0.00 0.00 46.19 47.90 1twh s LEU 40 CO 0.02 -0.12 0.17 -1.81 -1.32 0.00 0.00 176.35 173.29 1twh s ASP 41 N -0.49 6.02 -0.01 3.68 1.01 -1.07 -0.50 116.67 125.30 1twh s ASP 41 Ca 0.05 0.04 0.02 0.00 0.71 0.00 0.00 52.55 53.37 1twh s ASP 41 Cb -0.03 -2.10 -0.00 0.00 1.01 0.00 0.00 42.92 41.80 1twh s ASP 41 CO -0.08 0.01 -0.07 -0.63 0.21 0.00 0.00 175.17 174.61 1twh s ILE 42 N 1.41 0.57 -0.75 0.77 1.01 -0.52 -4.72 121.20 118.97 1twh s ILE 42 Ca 0.07 -0.30 -0.26 0.00 0.00 0.00 0.00 60.65 60.17 1twh s ILE 42 Cb -0.15 -0.49 -0.00 0.00 0.01 0.00 0.00 42.46 41.83 1twh s ILE 42 CO 0.08 0.17 1.65 0.21 0.00 0.00 0.00 174.94 177.04 1twh s ASN 43 N -0.09 5.68 0.00 3.58 3.84 -1.26 -1.57 114.94 125.12 1twh s ASN 43 Ca 0.02 -0.31 0.10 0.00 0.21 0.00 0.00 52.86 52.88 1twh s ASN 43 Cb -0.04 -2.55 0.57 0.00 -0.55 0.00 0.00 41.25 38.69 1twh s ASN 43 CO -0.00 -2.17 1.38 0.55 -2.79 0.00 0.00 177.10 174.07 1twh n VAL 44 N 7.03 0.04 -0.11 -5.21 3.14 -0.54 -2.26 118.33 120.42 1twh n VAL 44 Ca 0.20 -0.05 -0.21 0.00 -2.96 0.00 0.00 64.34 61.33 1twh n VAL 44 Cb 0.50 -0.10 -0.12 0.00 -1.06 0.00 0.00 33.84 33.06 1twh n VAL 44 CO 0.00 0.00 0.00 -0.62 -6.46 0.00 0.00 176.83 169.75 1twh n GLU 45 N -0.53 0.65 0.00 1.45 1.02 -1.25 -3.25 120.64 118.74 1twh n GLU 45 Ca 0.08 0.20 0.15 0.00 -0.02 0.00 0.00 57.16 57.58 1twh n GLU 45 Cb 0.06 -1.55 0.82 0.00 -0.02 0.00 0.00 31.44 30.76 1twh n GLU 45 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 1twh n LEU 46 N -3.52 0.21 -2.68 -4.62 4.77 -1.20 -4.73 117.00 105.22 1twh n LEU 46 Ca -0.45 0.01 -0.03 0.00 -0.03 0.00 0.00 56.01 55.51 1twh n LEU 46 Cb 0.97 -0.08 0.03 0.00 -2.33 0.00 0.00 43.42 42.01 1twh n LEU 46 CO 0.24 0.04 0.43 0.33 -1.33 0.00 0.00 177.39 177.10 1twh n PHE 47 N -0.93 -1.18 -1.14 -1.77 7.35 -0.96 -5.02 117.46 113.81 1twh n PHE 47 Ca 0.20 -0.77 -0.30 0.00 -0.76 0.00 0.00 57.45 55.83 1twh n PHE 47 Cb 0.18 1.15 0.23 0.00 0.35 0.00 0.00 39.48 41.39 1twh n PHE 47 CO 0.00 0.00 0.00 -2.14 -0.76 0.00 0.00 176.76 173.86 1twh s PRO 48 N 0.94 -0.89 -0.29 -7.13 0.02 -1.20 -4.26 135.00 122.20 1twh s PRO 48 Ca 0.25 -0.01 -0.17 0.00 0.02 0.00 0.00 61.00 61.09 1twh s PRO 48 Cb 0.11 -1.63 0.12 0.00 0.02 0.00 0.00 34.50 33.12 1twh s PRO 48 CO -0.10 -3.50 0.88 0.08 -0.33 0.00 0.00 177.00 174.03 1twh s VAL 49 N -3.05 0.00 0.28 3.83 1.01 -1.26 -5.01 120.40 116.19 1twh s VAL 49 Ca 0.70 0.00 0.09 0.00 0.00 0.00 0.00 61.98 62.77 1twh s VAL 49 Cb -0.11 -1.00 -0.05 0.00 0.00 0.00 0.00 36.38 35.22 1twh s VAL 49 CO 0.56 0.00 -0.13 0.00 0.00 0.00 0.00 175.10 175.53 1twh s ALA 50 N 1.37 2.53 0.98 5.51 0.00 -1.26 -4.99 121.76 125.91 1twh s ALA 50 Ca -0.09 -1.89 -0.12 0.00 0.00 0.00 0.00 51.96 49.86 1twh s ALA 50 Cb -0.04 -0.05 0.13 0.00 0.00 0.00 0.00 23.12 23.15 1twh s ALA 50 CO -0.16 0.10 0.79 0.00 0.00 0.00 0.00 175.76 176.48 1twh n ALA 51 N -0.60 -1.99 0.00 0.00 0.00 -1.26 -1.15 120.51 115.50 1twh n ALA 51 Ca -0.06 -0.73 0.00 0.00 0.00 0.00 0.00 53.44 52.66 1twh n ALA 51 Cb 0.62 -1.98 0.00 0.00 0.00 0.00 0.00 19.45 18.09 1twh n ALA 51 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.50 178.44 1twh n GLN 52 N -3.33 0.00 -0.65 0.00 7.27 0.07 -4.97 117.38 115.77 1twh n GLN 52 Ca 0.08 0.00 -0.19 0.00 0.07 0.00 0.00 57.00 56.96 1twh n GLN 52 Cb 0.54 -0.45 0.10 0.00 2.41 0.00 0.00 30.24 32.84 1twh n GLN 52 CO 0.00 0.00 0.00 -0.25 0.07 0.00 0.00 177.06 176.88 1twh n ASP 53 N 0.00 -2.72 -3.99 1.69 8.00 -0.30 -4.33 116.55 114.90 1twh n ASP 53 Ca 0.00 -0.22 -0.10 0.00 0.71 0.00 0.00 54.79 55.18 1twh n ASP 53 Cb 0.00 -0.70 -0.07 0.00 -0.02 0.00 0.00 41.12 40.33 1twh n ASP 53 CO 0.00 0.00 0.00 -0.94 -0.39 0.00 0.00 177.20 175.87 1twh s SER 54 N -1.63 0.03 -0.02 -2.24 1.04 -1.26 -2.51 113.70 107.11 1twh s SER 54 Ca 0.31 -0.94 0.00 0.00 0.48 0.00 0.00 55.95 55.81 1twh s SER 54 Cb -0.03 0.46 0.02 0.00 0.10 0.00 0.00 66.02 66.57 1twh s SER 54 CO 0.35 -0.93 -0.00 -0.76 0.98 0.00 0.00 173.24 172.88 1twh s LEU 55 N -3.00 1.40 -0.50 2.42 1.43 0.86 -4.77 118.68 116.52 1twh s LEU 55 Ca 0.21 -0.02 -0.14 0.00 -1.03 0.00 0.00 54.13 53.14 1twh s LEU 55 Cb 0.03 -0.16 0.11 0.00 0.03 0.00 0.00 46.19 46.20 1twh s LEU 55 CO 0.03 -0.07 0.43 -0.89 0.23 0.00 0.00 176.35 176.08 1twh s THR 56 N 0.71 5.02 -0.53 5.49 2.01 -1.11 0.48 115.64 127.70 1twh s THR 56 Ca -0.07 -1.38 -0.17 0.00 0.31 0.00 0.00 61.69 60.38 1twh s THR 56 Cb -0.10 -4.14 0.11 0.00 0.01 0.00 0.00 72.50 68.38 1twh s THR 56 CO -0.01 -0.74 0.52 -0.69 -0.69 0.00 0.00 174.62 173.01 1twh s VAL 57 N 1.57 5.13 -0.38 3.82 1.01 -1.04 -2.16 120.40 128.35 1twh s VAL 57 Ca 0.04 -1.28 -0.09 0.00 0.00 0.00 0.00 61.98 60.65 1twh s VAL 57 Cb -0.27 -4.32 0.05 0.00 0.00 0.00 0.00 36.38 31.84 1twh s VAL 57 CO 0.04 -0.85 0.20 -0.89 0.00 0.00 0.00 175.10 173.60 1twh s THR 58 N 1.84 4.28 0.69 3.92 2.01 -0.48 -3.02 115.64 124.87 1twh s THR 58 Ca 0.05 -1.12 -0.14 0.00 0.31 0.00 0.00 61.69 60.80 1twh s THR 58 Cb -0.27 -3.48 0.01 0.00 0.01 0.00 0.00 72.50 68.77 1twh s THR 58 CO 0.05 -0.32 1.10 -0.63 -0.69 0.00 0.00 174.62 174.13 1twh s ILE 59 N 1.47 3.27 -0.03 1.82 1.09 -1.03 -2.68 121.20 125.11 1twh s ILE 59 Ca 0.01 0.54 -0.30 0.00 -1.10 0.00 0.00 60.65 59.80 1twh s ILE 59 Cb -0.21 -3.05 0.12 0.00 -1.06 0.00 0.00 42.46 38.26 1twh s ILE 59 CO 0.04 -0.42 1.31 0.00 -0.10 0.00 0.00 174.94 175.78 1twh s ALA 60 N -2.49 -2.32 0.00 9.38 0.00 -0.79 -1.98 121.76 123.56 1twh s ALA 60 Ca 0.65 0.65 0.00 0.00 0.00 0.00 0.00 51.96 53.26 1twh s ALA 60 Cb -0.20 0.41 0.00 0.00 0.00 0.00 0.00 23.12 23.33 1twh s ALA 60 CO 0.45 -1.07 0.00 -1.13 0.00 0.00 0.00 175.76 174.01 1twh n SER 61 N -0.57 0.00 0.00 0.00 3.41 -1.26 -0.16 113.62 115.04 1twh n SER 61 Ca -0.07 -0.28 0.00 0.00 -0.26 0.00 0.00 58.87 58.25 1twh n SER 61 Cb 0.62 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.57 1twh n SER 61 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 1twh n SER 62 N 0.00 0.00 0.00 4.04 3.41 -1.26 -4.85 113.62 114.96 1twh n SER 62 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.61 1twh n SER 62 Cb 0.07 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.02 1twh n SER 62 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 1twh n LEU 63 N 0.00 0.00 0.00 1.04 4.32 -1.26 -4.96 117.00 116.14 1twh n LEU 63 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 56.01 55.99 1twh n LEU 63 Cb 0.00 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 41.80 1twh n LEU 63 CO 0.00 0.00 0.00 0.41 -1.22 0.00 0.00 177.39 176.58 1twh n THR 76 N 0.00 0.00 -1.19 -5.08 -1.04 -1.26 -4.55 114.28 101.16 1twh n THR 76 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.01 1twh n THR 76 Cb 0.00 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 68.51 1twh n THR 76 CO 0.00 0.00 0.00 0.54 -0.64 0.00 0.00 175.07 174.97 1twh n ARG 77 N 0.00 -3.28 0.00 -2.82 3.00 -1.26 -4.99 116.66 107.31 1twh n ARG 77 Ca 0.00 2.49 0.00 0.00 -0.01 0.00 0.00 57.85 60.33 1twh n ARG 77 Cb 0.00 -2.93 0.00 0.00 0.00 0.00 0.00 32.46 29.53 1twh n ARG 77 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.63 178.08 1twh n SER 78 N -1.54 0.00 -3.79 0.55 2.88 -1.26 -5.00 113.62 105.45 1twh n SER 78 Ca 0.00 0.00 -0.11 0.00 -1.33 0.00 0.00 58.87 57.43 1twh n SER 78 Cb 0.16 0.00 -0.07 0.00 -0.75 0.00 0.00 64.21 63.54 1twh n SER 78 CO 0.00 0.00 0.00 0.86 -1.23 0.00 0.00 175.04 174.67 1twh s TRP 79 N 0.00 -0.03 0.10 0.66 -0.00 -1.26 -5.16 118.94 113.25 1twh s TRP 79 Ca 0.00 -0.18 -0.06 0.00 -0.00 0.00 0.00 56.10 55.86 1twh s TRP 79 Cb 0.00 0.05 -0.02 0.00 -0.00 0.00 0.00 33.47 33.50 1twh s TRP 79 CO 0.00 -0.49 0.14 1.03 -0.00 0.00 0.00 176.95 177.63 1twh s ARG 80 N -2.77 0.88 0.00 5.86 0.52 -1.26 -5.15 118.95 117.03 1twh s ARG 80 Ca -0.03 -1.14 0.00 0.00 -0.52 0.00 0.00 55.73 54.04 1twh s ARG 80 Cb -0.00 0.31 0.00 0.00 0.52 0.00 0.00 34.95 35.78 1twh s ARG 80 CO -0.05 -0.27 0.00 -2.30 0.02 0.00 0.00 175.30 172.70 1twh n PRO 81 N -0.06 0.00 0.00 3.54 -0.02 -1.26 -5.00 135.00 132.19 1twh n PRO 81 Ca -0.12 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.36 1twh n PRO 81 Cb 0.62 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 34.10 1twh n PRO 81 CO 0.00 0.00 0.00 -0.35 1.98 0.00 0.00 175.50 177.13 1twh n PRO 82 N 0.00 0.32 0.00 0.52 -0.04 -1.26 -4.72 135.00 129.82 1twh n PRO 82 Ca 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.46 1twh n PRO 82 Cb 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.46 1twh n PRO 82 CO 0.00 0.00 0.00 1.04 -0.04 0.00 0.00 175.50 176.50 1twh n GLN 83 N 0.00 0.00 -0.33 0.54 6.02 -1.26 -3.91 117.38 118.44 1twh n GLN 83 Ca 0.00 0.00 0.31 0.00 -0.01 0.00 0.00 57.00 57.30 1twh n GLN 83 Cb 0.00 0.00 0.55 0.00 1.02 0.00 0.00 30.24 31.81 1twh n GLN 83 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1twh n ALA 84 N 0.15 1.01 -2.24 -1.58 0.00 -1.26 -3.74 120.51 112.85 1twh n ALA 84 Ca 0.00 0.86 -0.43 0.00 0.00 0.00 0.00 53.44 53.87 1twh n ALA 84 Cb 0.00 -0.92 0.00 0.00 0.00 0.00 0.00 19.45 18.54 1twh n ALA 84 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1twh n GLY 85 N -1.31 4.38 0.00 0.00 0.00 -1.25 -1.55 105.19 105.46 1twh n GLY 85 Ca 0.34 -1.90 0.00 0.00 0.00 0.00 0.00 46.02 44.46 1twh n GLY 85 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1twh n ASP 86 N 4.99 0.00 -0.00 1.61 3.85 -1.25 -4.76 116.55 120.98 1twh n ASP 86 Ca 0.44 0.00 -0.01 0.00 -0.71 0.00 0.00 54.79 54.51 1twh n ASP 86 Cb 0.38 0.00 -0.00 0.00 -1.35 0.00 0.00 41.12 40.15 1twh n ASP 86 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.20 176.73 1twh n ARG 87 N -0.11 0.02 0.00 0.11 3.00 -1.26 -5.10 116.66 113.31 1twh n ARG 87 Ca 0.00 0.01 0.00 0.00 -0.01 0.00 0.00 57.85 57.85 1twh n ARG 87 Cb 0.00 -0.53 0.00 0.00 0.00 0.00 0.00 32.46 31.93 1twh n ARG 87 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.63 178.06 1twh n SER 88 N -3.05 0.69 -4.57 0.55 7.64 -0.59 -4.95 113.62 109.34 1twh n SER 88 Ca -0.02 -0.91 -0.18 0.00 1.01 0.00 0.00 58.87 58.77 1twh n SER 88 Cb 0.50 -0.23 -0.08 0.00 -1.01 0.00 0.00 64.21 63.39 1twh n SER 88 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 1twh s LEU 89 N 0.00 2.76 0.00 -3.43 1.43 -1.26 -4.80 118.68 113.37 1twh s LEU 89 Ca 0.00 -0.69 0.00 0.00 -1.03 0.00 0.00 54.13 52.41 1twh s LEU 89 Cb 0.00 -2.57 0.00 0.00 0.03 0.00 0.00 46.19 43.65 1twh s LEU 89 CO 0.00 -3.91 0.18 0.00 0.23 0.00 0.00 176.35 172.86 1twh n ALA 90 N 17.67 1.04 -3.56 4.21 0.00 -1.26 -4.12 120.51 134.49 1twh n ALA 90 Ca 0.44 0.00 -0.35 0.00 0.00 0.00 0.00 53.44 53.52 1twh n ALA 90 Cb 0.46 -0.69 -0.14 0.00 0.00 0.00 0.00 19.45 19.08 1twh n ALA 90 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1twh s ASP 91 N -1.54 4.45 -0.44 0.00 -1.08 -1.26 -4.90 116.67 111.90 1twh s ASP 91 Ca 0.00 -0.72 0.04 0.00 -0.52 0.00 0.00 52.55 51.35 1twh s ASP 91 Cb 0.00 -1.72 0.52 0.00 -1.46 0.00 0.00 42.92 40.26 1twh s ASP 91 CO 0.00 -0.11 1.69 0.47 0.52 0.00 0.00 175.17 177.74 1twh n ASP 92 N 4.74 4.65 -4.99 -0.34 8.00 -1.26 -5.04 116.55 122.30 1twh n ASP 92 Ca -0.17 -3.74 -0.20 0.00 0.71 0.00 0.00 54.79 51.39 1twh n ASP 92 Cb 0.48 -0.74 0.03 0.00 -0.02 0.00 0.00 41.12 40.87 1twh n ASP 92 CO 0.00 0.00 0.00 -0.31 -0.39 0.00 0.00 177.20 176.50 1twh s TYR 93 N -3.49 2.04 0.07 1.24 1.51 -1.26 -4.93 117.35 112.53 1twh s TYR 93 Ca 0.54 -0.61 -0.08 0.00 -1.01 0.00 0.00 57.07 55.91 1twh s TYR 93 Cb 0.45 -2.22 -0.28 0.00 -0.11 0.00 0.00 41.96 39.80 1twh s TYR 93 CO 0.03 -0.72 1.12 -0.44 -1.11 0.00 0.00 175.55 174.44 1twh h ASP 94 N 0.50 0.59 -3.03 2.29 3.32 -1.37 -3.49 116.42 115.22 1twh h ASP 94 Ca -0.35 -0.60 -0.30 0.00 0.02 0.00 0.00 57.03 55.79 1twh h ASP 94 Cb 1.28 -0.19 -0.36 0.00 0.22 0.00 0.00 39.33 40.28 1twh h ASP 94 CO 0.46 1.46 -0.64 -0.47 -1.72 0.00 0.00 179.24 178.32 1twh s TYR 95 N -2.75 -0.17 -0.03 4.55 5.04 -0.70 -5.01 117.35 118.28 1twh s TYR 95 Ca -0.06 0.53 0.02 0.00 -2.44 0.00 0.00 57.07 55.12 1twh s TYR 95 Cb 0.06 -0.29 0.01 0.00 0.35 0.00 0.00 41.96 42.09 1twh s TYR 95 CO 0.90 -0.31 -0.09 0.08 -1.34 0.00 0.00 175.55 174.79 1twh s VAL 96 N 2.29 0.79 0.47 3.14 1.01 -1.26 -1.15 120.40 125.69 1twh s VAL 96 Ca 0.03 -0.35 0.07 0.00 0.00 0.00 0.00 61.98 61.73 1twh s VAL 96 Cb -0.13 -0.72 -0.00 0.00 0.00 0.00 0.00 36.38 35.54 1twh s VAL 96 CO -0.06 0.25 0.35 -0.04 0.00 0.00 0.00 175.10 175.60 1twh s MET 97 N 0.30 2.36 -0.04 2.72 -1.94 0.61 -4.97 119.30 118.34 1twh s MET 97 Ca -0.05 -1.79 -0.01 0.00 -1.71 0.00 0.00 55.69 52.13 1twh s MET 97 Cb -0.10 -2.19 0.03 0.00 2.01 0.00 0.00 34.83 34.58 1twh s MET 97 CO 0.01 -0.35 0.03 -0.47 -0.01 0.00 0.00 175.02 174.23 1twh s TYR 98 N -2.62 0.19 0.00 -0.03 5.04 -1.26 -2.01 117.35 116.67 1twh s TYR 98 Ca 0.42 0.12 0.00 0.00 -2.44 0.00 0.00 57.07 55.17 1twh s TYR 98 Cb -0.01 -0.47 0.00 0.00 0.35 0.00 0.00 41.96 41.82 1twh s TYR 98 CO 0.24 -0.18 0.00 0.41 -1.34 0.00 0.00 175.55 174.68 1twh n GLY 99 N 4.86 5.79 3.42 8.97 0.00 -0.79 -4.50 105.19 122.94 1twh n GLY 99 Ca -0.12 -1.54 -0.14 0.00 0.00 0.00 0.00 46.02 44.21 1twh n GLY 99 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1twh s THR 100 N -0.32 0.01 -0.12 2.61 2.01 -0.40 -2.05 115.64 117.37 1twh s THR 100 Ca 0.00 -0.07 -0.03 0.00 0.31 0.00 0.00 61.69 61.90 1twh s THR 100 Cb 0.00 -0.76 -0.03 0.00 0.01 0.00 0.00 72.50 71.71 1twh s THR 100 CO 0.00 -0.04 -0.01 0.00 -0.69 0.00 0.00 174.62 173.88 1twh s ALA 101 N -0.20 3.19 0.00 7.40 0.00 -1.25 0.48 121.76 131.38 1twh s ALA 101 Ca -0.04 -0.81 0.00 0.00 0.00 0.00 0.00 51.96 51.11 1twh s ALA 101 Cb -0.03 -1.54 0.00 0.00 0.00 0.00 0.00 23.12 21.54 1twh s ALA 101 CO 0.03 0.41 0.16 2.48 0.00 0.00 0.00 175.76 178.84 1twh n TYR 102 N 2.78 0.00 0.00 0.00 0.18 -1.26 -4.72 117.16 114.14 1twh n TYR 102 Ca -0.18 0.00 0.00 0.00 1.88 0.00 0.00 57.90 59.60 1twh n TYR 102 Cb 0.53 0.00 0.00 0.00 -0.38 0.00 0.00 39.34 39.49 1twh n TYR 102 CO 0.00 0.00 0.00 1.63 -2.08 0.00 0.00 176.86 176.41 1twh n LYS 103 N -0.38 0.00 -0.73 -3.48 5.02 -1.26 -4.81 118.16 112.52 1twh n LYS 103 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.29 1twh n LYS 103 Cb 0.04 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.05 1twh n LYS 103 CO 0.00 0.00 0.00 1.19 -0.52 0.00 0.00 177.40 178.07 1twh n PHE 104 N 0.00 0.00 0.00 2.13 3.01 -1.26 -1.30 117.46 120.04 1twh n PHE 104 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.46 1twh n PHE 104 Cb 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 39.47 1twh n PHE 104 CO 0.00 0.00 0.00 0.39 1.01 0.00 0.00 176.76 178.16 1twh n GLU 105 N -0.25 0.00 0.00 -1.08 4.71 -1.21 -3.83 120.64 118.98 1twh n GLU 105 Ca 0.00 0.00 0.05 0.00 -0.01 0.00 0.00 57.16 57.20 1twh n GLU 105 Cb 0.00 0.00 0.25 0.00 -1.01 0.00 0.00 31.44 30.68 1twh n GLU 105 CO 0.00 0.00 0.00 -1.91 0.09 0.00 0.00 177.13 175.31 1twh n GLU 106 N 0.00 0.12 -1.35 3.49 2.13 -1.12 -4.74 120.64 119.17 1twh n GLU 106 Ca 0.00 0.21 -0.04 0.00 0.66 0.00 0.00 57.16 58.00 1twh n GLU 106 Cb 0.00 -1.50 0.00 0.00 0.27 0.00 0.00 31.44 30.21 1twh n GLU 106 CO 0.00 0.00 0.00 0.28 -0.41 0.00 0.00 177.13 177.00 1twh n VAL 107 N -1.32 -0.68 -4.37 6.31 0.31 -1.25 -4.84 118.33 112.49 1twh n VAL 107 Ca 0.04 0.09 -0.26 0.00 -0.01 0.00 0.00 64.34 64.20 1twh n VAL 107 Cb 0.09 -0.81 -0.10 0.00 -0.91 0.00 0.00 33.84 32.10 1twh n VAL 107 CO 0.00 0.00 0.00 -0.55 -1.32 0.00 0.00 176.83 174.96 1twh s SER 108 N -0.30 3.85 0.24 4.52 0.15 -0.53 -5.03 113.70 116.61 1twh s SER 108 Ca 0.04 -0.76 0.00 0.00 0.70 0.00 0.00 55.95 55.93 1twh s SER 108 Cb -0.00 -0.49 0.00 0.00 -1.71 0.00 0.00 66.02 63.82 1twh s SER 108 CO 0.08 0.10 0.00 0.29 1.20 0.00 0.00 173.24 174.91 1twh n LYS 109 N -0.00 0.00 -1.18 5.44 4.01 -1.26 -2.43 118.16 122.74 1twh n LYS 109 Ca -0.11 0.00 0.01 0.00 -0.51 0.00 0.00 58.31 57.70 1twh n LYS 109 Cb 0.56 0.00 -0.00 0.00 -0.51 0.00 0.00 35.03 35.08 1twh n LYS 109 CO 0.00 0.00 0.00 -0.25 -1.11 0.00 0.00 177.40 176.04 1twh n ASP 110 N 4.10 0.33 -4.88 4.39 8.00 -1.26 -5.10 116.55 122.13 1twh n ASP 110 Ca 0.00 -1.94 -0.31 0.00 0.71 0.00 0.00 54.79 53.25 1twh n ASP 110 Cb 0.00 -0.13 -0.04 0.00 -0.02 0.00 0.00 41.12 40.93 1twh n ASP 110 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 1twh s LEU 111 N 0.00 4.08 0.35 0.64 1.02 -1.02 -4.97 118.68 118.78 1twh s LEU 111 Ca 0.19 0.91 0.07 0.00 0.02 0.00 0.00 54.13 55.33 1twh s LEU 111 Cb 0.22 -3.71 -0.02 0.00 0.02 0.00 0.00 46.19 42.70 1twh s LEU 111 CO -0.10 -0.16 0.33 -0.63 0.02 0.00 0.00 176.35 175.81 1twh s ILE 112 N -1.99 3.41 -0.03 -0.59 1.09 -1.10 -1.45 121.20 120.54 1twh s ILE 112 Ca 0.47 -1.33 -0.01 0.00 -1.10 0.00 0.00 60.65 58.68 1twh s ILE 112 Cb -0.11 -3.17 0.03 0.00 -1.06 0.00 0.00 42.46 38.16 1twh s ILE 112 CO 0.25 -0.14 0.04 0.00 -0.10 0.00 0.00 174.94 174.99 1twh s ALA 113 N -2.32 0.21 0.14 9.38 0.00 -1.24 0.13 121.76 128.06 1twh s ALA 113 Ca 0.43 0.22 0.07 0.00 0.00 0.00 0.00 51.96 52.68 1twh s ALA 113 Cb -0.06 -0.48 -0.04 0.00 0.00 0.00 0.00 23.12 22.55 1twh s ALA 113 CO 0.27 -0.33 -0.05 0.54 0.00 0.00 0.00 175.76 176.20 1twh s VAL 114 N 1.70 3.54 -0.18 0.00 0.11 -0.96 -2.81 120.40 121.80 1twh s VAL 114 Ca -0.01 -1.37 -0.01 0.00 -2.93 0.00 0.00 61.98 57.65 1twh s VAL 114 Cb -0.12 -2.73 -0.11 0.00 -1.53 0.00 0.00 36.38 31.89 1twh s VAL 114 CO -0.03 -0.02 -0.18 -1.22 -3.33 0.00 0.00 175.10 170.32 1twh n TYR 115 N 0.24 0.00 -1.91 1.54 4.02 -0.42 -2.59 117.16 118.03 1twh n TYR 115 Ca -0.11 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.78 1twh n TYR 115 Cb 0.54 -0.69 0.00 0.00 -0.02 0.00 0.00 39.34 39.16 1twh n TYR 115 CO 0.00 0.00 0.00 0.66 -1.01 0.00 0.00 176.86 176.51 1twh n TYR 116 N -3.22 -3.79 -3.99 -0.72 4.02 -1.24 -3.36 117.16 104.86 1twh n TYR 116 Ca -0.33 2.16 -0.23 0.00 -0.01 0.00 0.00 57.90 59.49 1twh n TYR 116 Cb 0.82 -2.92 -0.17 0.00 -0.02 0.00 0.00 39.34 37.06 1twh n TYR 116 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 176.86 176.30 1twh s SER 117 N -0.96 1.58 -0.71 7.72 0.15 0.18 -0.16 113.70 121.51 1twh s SER 117 Ca 0.00 -0.17 -0.10 0.00 0.70 0.00 0.00 55.95 56.38 1twh s SER 117 Cb 0.00 -0.59 0.19 0.00 -1.71 0.00 0.00 66.02 63.91 1twh s SER 117 CO 0.00 -0.11 0.60 -0.36 1.20 0.00 0.00 173.24 174.57 1twh s PHE 118 N 1.49 3.58 -1.27 3.44 0.40 0.86 -1.28 117.98 125.21 1twh s PHE 118 Ca -0.01 -2.20 0.00 0.00 -0.60 0.00 0.00 56.93 54.12 1twh s PHE 118 Cb -0.13 -3.57 0.00 0.00 0.51 0.00 0.00 43.02 39.82 1twh s PHE 118 CO -0.04 -0.94 0.00 0.41 0.70 0.00 0.00 175.22 175.35 1twh n GLY 119 N 3.95 1.14 0.34 4.36 0.00 -1.26 -1.57 105.19 112.14 1twh n GLY 119 Ca 0.08 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.10 1twh n GLY 119 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1twh n GLY 120 N -0.11 0.34 3.66 -0.02 0.00 -1.26 -5.04 105.19 102.76 1twh n GLY 120 Ca -0.12 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.48 1twh n GLY 120 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1twh s LEU 121 N 0.00 4.29 0.15 0.99 1.43 -0.61 -5.04 118.68 119.88 1twh s LEU 121 Ca 0.00 2.09 0.05 0.00 -1.03 0.00 0.00 54.13 55.24 1twh s LEU 121 Cb 0.00 -3.54 -0.04 0.00 0.03 0.00 0.00 46.19 42.64 1twh s LEU 121 CO 0.00 -0.87 0.13 -0.76 0.23 0.00 0.00 176.35 175.08 1twh s LEU 122 N 3.75 3.81 0.21 1.79 1.43 -1.26 0.30 118.68 128.70 1twh s LEU 122 Ca 0.68 -0.10 0.02 0.00 -1.03 0.00 0.00 54.13 53.69 1twh s LEU 122 Cb -0.30 -2.43 -0.05 0.00 0.03 0.00 0.00 46.19 43.43 1twh s LEU 122 CO 0.25 0.09 0.04 -0.32 0.23 0.00 0.00 176.35 176.64 1twh s MET 123 N -2.96 1.23 -0.29 1.70 1.75 0.78 -2.58 119.30 118.93 1twh s MET 123 Ca 0.31 -1.63 -0.15 0.00 -1.25 0.00 0.00 55.69 52.97 1twh s MET 123 Cb -0.10 -0.27 0.14 0.00 2.84 0.00 0.00 34.83 37.43 1twh s MET 123 CO 0.23 -0.19 0.87 0.50 -0.65 0.00 0.00 175.02 175.78 1twh s ARG 124 N -3.96 0.45 -0.31 4.11 3.52 -1.01 -4.21 118.95 117.55 1twh s ARG 124 Ca 0.30 0.91 -0.05 0.00 -0.13 0.00 0.00 55.73 56.75 1twh s ARG 124 Cb 0.07 0.30 0.03 0.00 -1.56 0.00 0.00 34.95 33.79 1twh s ARG 124 CO 0.08 -0.12 0.06 -0.51 -0.81 0.00 0.00 175.30 174.00 1twh s LEU 125 N 1.92 3.96 0.33 -0.88 1.43 -1.07 -1.77 118.68 122.60 1twh s LEU 125 Ca -0.07 -0.99 -0.14 0.00 -1.03 0.00 0.00 54.13 51.90 1twh s LEU 125 Cb -0.06 -1.82 -0.08 0.00 0.03 0.00 0.00 46.19 44.26 1twh s LEU 125 CO -0.17 -0.25 0.72 -0.70 0.23 0.00 0.00 176.35 176.18 1twh s GLU 126 N 1.40 3.95 0.00 1.70 2.12 -0.82 -2.28 118.70 124.78 1twh s GLU 126 Ca -0.01 0.61 0.00 0.00 0.36 0.00 0.00 54.97 55.93 1twh s GLU 126 Cb -0.18 -2.44 0.00 0.00 0.26 0.00 0.00 34.13 31.76 1twh s GLU 126 CO 0.01 0.14 0.00 0.41 -0.54 0.00 0.00 175.26 175.28 1twh n GLY 127 N -0.48 -0.41 0.00 -1.50 0.00 0.35 -1.27 105.19 101.89 1twh n GLY 127 Ca 0.03 0.60 0.00 0.00 0.00 0.00 0.00 46.02 46.66 1twh n GLY 127 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1twh n ASN 128 N 0.00 0.00 0.00 1.61 5.15 -1.26 -2.72 115.26 118.04 1twh n ASN 128 Ca 0.00 0.00 0.08 0.00 -0.60 0.00 0.00 54.58 54.06 1twh n ASN 128 Cb 0.00 0.00 0.39 0.00 -0.53 0.00 0.00 39.78 39.64 1twh n ASN 128 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1twh n TYR 129 N -0.57 0.00 -2.89 1.20 0.18 -1.26 -3.18 117.16 110.64 1twh n TYR 129 Ca 0.00 0.00 -0.20 0.00 1.88 0.00 0.00 57.90 59.58 1twh n TYR 129 Cb 0.00 -0.33 -0.02 0.00 -0.38 0.00 0.00 39.34 38.61 1twh n TYR 129 CO 0.00 0.00 0.00 2.89 -2.08 0.00 0.00 176.86 177.67 1twh n ARG 130 N -1.33 2.06 0.00 -3.48 -4.01 -1.26 -4.86 116.66 103.77 1twh n ARG 130 Ca 0.07 -3.96 0.00 0.00 -1.04 0.00 0.00 57.85 52.92 1twh n ARG 130 Cb 0.14 -1.85 0.00 0.00 -3.04 0.00 0.00 32.46 27.71 1twh n ARG 130 CO 0.00 0.00 0.00 0.09 -3.04 0.00 0.00 177.63 174.68 1twh n ASN 131 N -0.07 0.00 -3.08 2.89 5.03 -1.19 -2.77 115.26 116.07 1twh n ASN 131 Ca 0.26 0.88 0.00 0.00 0.87 0.00 0.00 54.58 56.59 1twh n ASN 131 Cb 0.62 -0.43 0.00 0.00 -1.02 0.00 0.00 39.78 38.95 1twh n ASN 131 CO 0.00 0.00 0.00 0.18 -1.83 0.00 0.00 177.26 175.61 1twh n LEU 132 N -1.78 0.00 0.00 3.41 4.77 -1.26 -3.67 117.00 118.47 1twh n LEU 132 Ca 0.00 -0.85 0.00 0.00 -0.03 0.00 0.00 56.01 55.13 1twh n LEU 132 Cb 0.00 -0.36 0.00 0.00 -2.33 0.00 0.00 43.42 40.73 1twh n LEU 132 CO 0.00 -1.03 0.00 -3.20 -1.33 0.00 0.00 177.39 171.83 1twh n ASN 133 N 4.30 0.00 -4.41 -1.43 5.15 -1.13 -5.13 115.26 112.62 1twh n ASN 133 Ca 0.00 0.00 -0.41 0.00 -0.60 0.00 0.00 54.58 53.57 1twh n ASN 133 Cb 0.00 0.00 -0.11 0.00 -0.53 0.00 0.00 39.78 39.14 1twh n ASN 133 CO 0.00 0.00 0.00 0.20 1.40 0.00 0.00 177.26 178.86 1twh s ASN 134 N -1.00 5.85 -0.30 1.20 0.01 -1.12 -4.94 114.94 114.65 1twh s ASN 134 Ca 0.00 -0.94 -0.28 0.00 -0.71 0.00 0.00 52.86 50.93 1twh s ASN 134 Cb 0.00 -2.07 -0.12 0.00 0.41 0.00 0.00 41.25 39.48 1twh s ASN 134 CO 0.00 -0.40 1.01 0.18 -1.51 0.00 0.00 177.10 176.38 1twh n LEU 135 N 5.05 0.67 0.00 0.60 4.77 -1.26 -4.88 117.00 121.95 1twh n LEU 135 Ca -0.12 0.66 0.00 0.00 -0.03 0.00 0.00 56.01 56.52 1twh n LEU 135 Cb 0.46 -0.53 0.00 0.00 -2.33 0.00 0.00 43.42 41.03 1twh n LEU 135 CO 0.38 -0.49 0.09 0.29 -1.33 0.00 0.00 177.39 176.32 1twh n LYS 136 N 2.75 0.00 -4.02 3.23 4.01 -1.26 -4.81 118.16 118.07 1twh n LYS 136 Ca 0.21 0.00 -0.16 0.00 -0.51 0.00 0.00 58.31 57.85 1twh n LYS 136 Cb -0.03 -0.92 -0.04 0.00 -0.51 0.00 0.00 35.03 33.52 1twh n LYS 136 CO 0.00 0.00 0.00 1.04 -1.11 0.00 0.00 177.40 177.33 1twh n GLN 137 N -0.37 0.63 0.00 1.97 3.00 -1.26 -4.98 117.38 116.38 1twh n GLN 137 Ca 0.00 -2.90 0.00 0.00 -0.01 0.00 0.00 57.00 54.09 1twh n GLN 137 Cb 0.09 2.68 0.00 0.00 0.00 0.00 0.00 30.24 33.01 1twh n GLN 137 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.06 175.15 1twh n GLU 138 N -0.59 0.00 -0.35 -1.09 2.13 -1.26 -3.90 120.64 115.59 1twh n GLU 138 Ca 0.02 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.84 1twh n GLU 138 Cb 0.59 0.00 0.00 0.00 0.27 0.00 0.00 31.44 32.30 1twh n GLU 138 CO 0.00 0.00 0.00 0.09 -0.41 0.00 0.00 177.13 176.81 1twh n ASN 139 N 0.00 0.00 -3.88 4.31 3.02 -1.26 -4.58 115.26 112.87 1twh n ASN 139 Ca 0.00 0.00 -0.30 0.00 -0.03 0.00 0.00 54.58 54.25 1twh n ASN 139 Cb 0.00 0.00 -0.16 0.00 -0.61 0.00 0.00 39.78 39.01 1twh n ASN 139 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1twh s ALA 140 N -0.26 1.85 0.45 5.41 0.00 -0.87 -4.80 121.76 123.53 1twh s ALA 140 Ca 0.00 -1.45 -0.12 0.00 0.00 0.00 0.00 51.96 50.40 1twh s ALA 140 Cb 0.00 -1.49 -0.06 0.00 0.00 0.00 0.00 23.12 21.57 1twh s ALA 140 CO 0.00 -1.33 0.84 0.71 0.00 0.00 0.00 175.76 175.98 1twh s TYR 141 N 1.44 3.48 -0.07 0.00 1.51 0.78 -1.88 117.35 122.62 1twh s TYR 141 Ca -0.01 1.14 -0.05 0.00 -1.01 0.00 0.00 57.07 57.14 1twh s TYR 141 Cb -0.18 -2.53 0.02 0.00 -0.11 0.00 0.00 41.96 39.16 1twh s TYR 141 CO -0.10 -0.21 0.17 -1.17 -1.11 0.00 0.00 175.55 173.13 1twh s LEU 142 N -4.03 1.13 -0.03 -1.29 2.96 -0.85 -1.89 118.68 114.68 1twh s LEU 142 Ca 0.53 0.35 -0.03 0.00 -0.22 0.00 0.00 54.13 54.77 1twh s LEU 142 Cb -0.10 0.55 0.01 0.00 0.50 0.00 0.00 46.19 47.15 1twh s LEU 142 CO 0.33 -0.09 0.07 -0.76 -1.32 0.00 0.00 176.35 174.59 1twh s LEU 143 N 0.43 1.73 -0.03 -0.68 1.43 -1.09 -0.28 118.68 120.20 1twh s LEU 143 Ca -0.03 0.12 0.00 0.00 -1.03 0.00 0.00 54.13 53.20 1twh s LEU 143 Cb -0.04 0.25 0.03 0.00 0.03 0.00 0.00 46.19 46.46 1twh s LEU 143 CO -0.02 -0.04 0.01 -0.63 0.23 0.00 0.00 176.35 175.91 1twh s ILE 144 N -0.03 0.06 0.15 -0.59 1.09 -0.30 -1.38 121.20 120.20 1twh s ILE 144 Ca -0.01 0.15 0.07 0.00 -1.10 0.00 0.00 60.65 59.76 1twh s ILE 144 Cb -0.01 -0.18 -0.04 0.00 -1.06 0.00 0.00 42.46 41.17 1twh s ILE 144 CO 0.00 0.12 -0.15 0.00 -0.10 0.00 0.00 174.94 174.81 1twh s ARG 145 N 1.06 1.13 0.00 2.79 1.70 -0.92 -0.83 118.95 123.89 1twh s ARG 145 Ca -0.09 -1.34 0.26 0.00 -0.47 0.00 0.00 55.73 54.09 1twh s ARG 145 Cb -0.13 -1.04 0.65 0.00 -0.57 0.00 0.00 34.95 33.86 1twh s ARG 145 CO -0.02 0.20 1.52 -2.13 -1.08 0.00 0.00 175.30 173.78