#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wsj n LEU 2 N 0.00 -1.36 -4.74 -0.89 4.77 -1.26 -4.96 117.00 108.56 1wsj n LEU 2 Ca 0.00 0.00 -0.41 0.00 -0.03 0.00 0.00 56.01 55.57 1wsj n LEU 2 Cb 0.00 0.76 -0.03 0.00 -2.33 0.00 0.00 43.42 41.82 1wsj n LEU 2 CO 0.00 0.00 0.88 -0.54 -1.33 0.00 0.00 177.39 176.40 1wsj s LYS 3 N -4.57 4.49 -0.34 3.23 1.02 -1.26 -4.76 119.74 117.56 1wsj s LYS 3 Ca 0.00 1.87 -0.11 0.00 0.02 0.00 0.00 55.97 57.75 1wsj s LYS 3 Cb 0.00 -3.24 0.00 0.00 -0.52 0.00 0.00 37.83 34.07 1wsj s LYS 3 CO 0.00 -0.09 0.19 -1.14 -0.92 0.00 0.00 175.35 173.39 1wsj s GLN 4 N -0.21 3.19 0.03 1.68 0.74 -1.26 -1.18 119.66 122.65 1wsj s GLN 4 Ca 0.53 -0.83 0.04 0.00 0.05 0.00 0.00 55.36 55.14 1wsj s GLN 4 Cb -0.32 -3.67 -0.04 0.00 1.10 0.00 0.00 33.01 30.08 1wsj s GLN 4 CO 0.36 -0.52 -0.04 0.08 -0.55 0.00 0.00 175.29 174.62 1wsj s VAL 5 N 1.62 3.80 -0.17 1.34 1.01 0.10 -4.72 120.40 123.39 1wsj s VAL 5 Ca 0.04 -0.84 -0.10 0.00 0.00 0.00 0.00 61.98 61.09 1wsj s VAL 5 Cb -0.18 -2.71 -0.05 0.00 0.00 0.00 0.00 36.38 33.44 1wsj s VAL 5 CO 0.07 0.30 0.16 -1.61 0.00 0.00 0.00 175.10 174.03 1wsj s GLU 6 N -1.72 4.00 -0.09 2.72 2.02 0.12 -1.40 118.70 124.34 1wsj s GLU 6 Ca 0.20 -0.13 0.01 0.00 0.02 0.00 0.00 54.97 55.07 1wsj s GLU 6 Cb -0.11 -3.36 0.02 0.00 0.10 0.00 0.00 34.13 30.78 1wsj s GLU 6 CO 0.11 0.42 -0.12 0.42 0.02 0.00 0.00 175.26 176.11 1wsj s ILE 7 N -0.02 1.25 -0.10 -1.63 1.01 -0.10 -0.21 121.20 121.41 1wsj s ILE 7 Ca 0.11 -0.50 0.02 0.00 0.00 0.00 0.00 60.65 60.29 1wsj s ILE 7 Cb -0.12 -1.17 -0.01 0.00 0.01 0.00 0.00 42.46 41.17 1wsj s ILE 7 CO 0.01 0.39 -0.17 -0.36 0.00 0.00 0.00 174.94 174.81 1wsj s PHE 8 N 1.06 2.69 0.08 3.97 0.08 0.60 0.64 117.98 127.09 1wsj s PHE 8 Ca -0.06 -0.66 -0.10 0.00 0.12 0.00 0.00 56.93 56.23 1wsj s PHE 8 Cb -0.15 -1.74 0.01 0.00 -0.57 0.00 0.00 43.02 40.57 1wsj s PHE 8 CO -0.02 -0.19 0.23 0.95 -0.10 0.00 0.00 175.22 176.09 1wsj s THR 9 N 0.09 0.12 -0.22 0.64 -4.23 -0.80 -0.79 115.64 110.45 1wsj s THR 9 Ca -0.08 -1.01 -0.34 0.00 -1.18 0.00 0.00 61.69 59.08 1wsj s THR 9 Cb -0.15 -1.21 0.15 0.00 1.34 0.00 0.00 72.50 72.63 1wsj s THR 9 CO 0.05 -0.56 1.24 -0.62 -0.54 0.00 0.00 174.62 174.19 1wsj s ASP 10 N -2.64 -0.12 0.11 3.99 -1.08 -1.01 -4.53 116.67 111.38 1wsj s ASP 10 Ca 0.02 0.04 0.07 0.00 -0.52 0.00 0.00 52.55 52.16 1wsj s ASP 10 Cb 0.03 0.12 -0.03 0.00 -1.46 0.00 0.00 42.92 41.58 1wsj s ASP 10 CO -0.09 -0.18 -0.17 -0.83 0.52 0.00 0.00 175.17 174.42 1wsj s GLY 11 N -1.86 1.12 -0.03 2.66 0.00 -1.26 -1.36 107.32 106.59 1wsj s GLY 11 Ca 0.09 -1.22 -0.00 0.00 0.00 0.00 0.00 44.72 43.58 1wsj s GLY 11 CO -0.04 -1.25 0.01 -0.45 0.00 0.00 0.00 173.10 171.36 1wsj s SER 12 N -2.09 0.55 -0.01 1.64 0.15 0.55 -4.74 113.70 109.74 1wsj s SER 12 Ca 0.06 -0.01 0.01 0.00 0.70 0.00 0.00 55.95 56.71 1wsj s SER 12 Cb -0.08 -0.21 0.01 0.00 -1.71 0.00 0.00 66.02 64.03 1wsj s SER 12 CO 0.04 -0.13 -0.03 0.00 1.20 0.00 0.00 173.24 174.32 1wsj s LEU 14 N 0.23 4.36 0.00 0.00 1.43 -0.55 -4.79 118.68 119.36 1wsj s LEU 14 Ca -0.02 -1.81 0.00 0.00 -1.03 0.00 0.00 54.13 51.27 1wsj s LEU 14 Cb -0.05 -2.48 0.00 0.00 0.03 0.00 0.00 46.19 43.69 1wsj s LEU 14 CO -0.01 -1.25 0.00 0.61 0.23 0.00 0.00 176.35 175.93 1wsj n GLY 15 N 6.08 -2.70 2.60 -3.19 0.00 -1.26 -4.17 105.19 102.54 1wsj n GLY 15 Ca 0.28 -1.83 -0.29 0.00 0.00 0.00 0.00 46.02 44.19 1wsj n GLY 15 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1wsj s ASN 16 N -2.38 3.57 0.00 1.61 2.47 -1.26 -4.21 114.94 114.74 1wsj s ASN 16 Ca 0.00 -1.72 0.00 0.00 0.42 0.00 0.00 52.86 51.56 1wsj s ASN 16 Cb 0.00 -0.58 0.00 0.00 -1.45 0.00 0.00 41.25 39.22 1wsj s ASN 16 CO 0.00 -0.39 0.00 -0.81 -3.72 0.00 0.00 177.10 172.18 1wsj n PRO 17 N 4.70 3.36 0.00 0.43 -0.04 -1.26 -5.13 135.00 137.06 1wsj n PRO 17 Ca 0.01 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.47 1wsj n PRO 17 Cb 0.40 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.86 1wsj n PRO 17 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1wsj n GLY 18 N 5.00 4.18 3.64 0.55 0.00 -0.69 -4.81 105.19 113.07 1wsj n GLY 18 Ca 0.00 -1.56 -0.44 0.00 0.00 0.00 0.00 46.02 44.02 1wsj n GLY 18 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1wsj n PRO 19 N -1.94 1.73 -4.12 1.61 -0.02 -1.18 -2.10 135.00 128.99 1wsj n PRO 19 Ca 0.00 0.61 -0.12 0.00 -2.02 0.00 0.00 63.50 61.97 1wsj n PRO 19 Cb 0.00 -2.12 -0.07 0.00 -0.02 0.00 0.00 33.50 31.28 1wsj n PRO 19 CO 0.00 0.00 0.00 0.20 1.98 0.00 0.00 175.50 177.68 1wsj s GLY 20 N -0.23 1.18 0.26 -1.23 0.00 -0.67 -1.48 107.32 105.15 1wsj s GLY 20 Ca 0.61 -1.41 -0.22 0.00 0.00 0.00 0.00 44.72 43.71 1wsj s GLY 20 CO 0.57 -1.07 0.75 -0.32 0.00 0.00 0.00 173.10 173.04 1wsj s GLY 21 N -3.13 -0.12 0.14 0.20 0.00 0.63 0.61 107.32 105.64 1wsj s GLY 21 Ca 0.32 -0.23 0.05 0.00 0.00 0.00 0.00 44.72 44.86 1wsj s GLY 21 CO 0.13 -0.07 -0.11 -2.52 0.00 0.00 0.00 173.10 170.53 1wsj s TYR 22 N -3.82 1.29 -0.01 1.90 -0.85 -0.93 -0.33 117.35 114.59 1wsj s TYR 22 Ca 0.11 -0.72 0.00 0.00 -0.52 0.00 0.00 57.07 55.94 1wsj s TYR 22 Cb -0.05 -0.65 0.02 0.00 0.38 0.00 0.00 41.96 41.65 1wsj s TYR 22 CO 0.06 0.10 0.02 0.20 -1.52 0.00 0.00 175.55 174.40 1wsj s GLY 23 N -3.05 0.09 -0.03 5.49 0.00 -0.46 -3.22 107.32 106.14 1wsj s GLY 23 Ca 0.15 0.20 -0.01 0.00 0.00 0.00 0.00 44.72 45.06 1wsj s GLY 23 CO 0.01 0.47 0.05 0.00 0.00 0.00 0.00 173.10 173.63 1wsj s ALA 24 N 0.74 -0.01 -0.11 3.20 0.00 -0.48 -2.41 121.76 122.69 1wsj s ALA 24 Ca -0.06 0.32 0.02 0.00 0.00 0.00 0.00 51.96 52.23 1wsj s ALA 24 Cb -0.09 -0.23 0.01 0.00 0.00 0.00 0.00 23.12 22.81 1wsj s ALA 24 CO -0.02 -0.09 -0.17 0.42 0.00 0.00 0.00 175.76 175.89 1wsj s ILE 25 N 0.84 1.65 -0.10 0.00 1.01 0.03 -0.96 121.20 123.66 1wsj s ILE 25 Ca -0.07 -0.74 -0.00 0.00 0.00 0.00 0.00 60.65 59.84 1wsj s ILE 25 Cb -0.10 -1.48 -0.02 0.00 0.01 0.00 0.00 42.46 40.87 1wsj s ILE 25 CO -0.03 0.47 -0.09 -0.76 0.00 0.00 0.00 174.94 174.53 1wsj s LEU 26 N 0.86 2.97 -0.09 2.97 1.02 -0.06 -0.29 118.68 126.06 1wsj s LEU 26 Ca -0.09 -0.17 0.02 0.00 0.02 0.00 0.00 54.13 53.91 1wsj s LEU 26 Cb -0.15 -1.66 0.01 0.00 0.02 0.00 0.00 46.19 44.41 1wsj s LEU 26 CO -0.00 0.25 -0.13 -0.13 0.02 0.00 0.00 176.35 176.36 1wsj s ARG 27 N -0.16 1.90 -0.07 1.70 0.52 0.71 -1.36 118.95 122.20 1wsj s ARG 27 Ca 0.01 -0.46 -0.02 0.00 -0.52 0.00 0.00 55.73 54.74 1wsj s ARG 27 Cb -0.13 -1.63 0.03 0.00 0.52 0.00 0.00 34.95 33.74 1wsj s ARG 27 CO 0.03 -0.04 0.04 -0.47 0.02 0.00 0.00 175.30 174.88 1wsj s TYR 28 N 0.92 0.30 -1.49 -0.53 6.14 -0.52 -0.70 117.35 121.47 1wsj s TYR 28 Ca -0.09 0.04 -0.02 0.00 0.64 0.00 0.00 57.07 57.63 1wsj s TYR 28 Cb -0.15 -0.62 0.02 0.00 0.42 0.00 0.00 41.96 41.63 1wsj s TYR 28 CO 0.00 -0.28 0.31 0.54 0.64 0.00 0.00 175.55 176.77 1wsj n ARG 29 N 5.24 -2.45 0.00 4.97 1.74 -1.26 -0.49 116.66 124.41 1wsj n ARG 29 Ca -0.05 0.29 0.00 0.00 -0.77 0.00 0.00 57.85 57.32 1wsj n ARG 29 Cb 0.50 -4.27 0.00 0.00 -1.02 0.00 0.00 32.46 27.67 1wsj n ARG 29 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1wsj n GLY 30 N -2.11 1.75 3.66 -0.13 0.00 -1.26 -4.99 105.19 102.10 1wsj n GLY 30 Ca -0.28 -0.21 -0.35 0.00 0.00 0.00 0.00 46.02 45.18 1wsj n GLY 30 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1wsj n ARG 31 N 0.00 0.58 -3.92 1.61 5.12 0.36 -5.02 116.66 115.39 1wsj n ARG 31 Ca 0.00 0.26 -0.10 0.00 -1.93 0.00 0.00 57.85 56.08 1wsj n ARG 31 Cb 0.00 -2.35 -0.11 0.00 -1.16 0.00 0.00 32.46 28.84 1wsj n ARG 31 CO 0.00 0.00 0.00 -2.00 -1.93 0.00 0.00 177.63 173.70 1wsj s GLU 32 N -3.52 0.29 -0.00 5.56 2.12 -1.26 -1.44 118.70 120.45 1wsj s GLU 32 Ca 0.76 -0.39 0.01 0.00 0.36 0.00 0.00 54.97 55.70 1wsj s GLU 32 Cb -0.34 0.11 -0.00 0.00 0.26 0.00 0.00 34.13 34.16 1wsj s GLU 32 CO 0.48 -0.06 -0.02 0.15 -0.54 0.00 0.00 175.26 175.27 1wsj s LYS 33 N -1.08 0.21 0.09 4.30 1.02 -0.46 -5.01 119.74 118.81 1wsj s LYS 33 Ca -0.12 -0.08 0.08 0.00 0.02 0.00 0.00 55.97 55.87 1wsj s LYS 33 Cb -0.07 -0.21 -0.03 0.00 -0.52 0.00 0.00 37.83 36.99 1wsj s LYS 33 CO -0.00 0.04 -0.21 0.99 -0.92 0.00 0.00 175.35 175.25 1wsj s THR 34 N 0.01 1.69 0.02 2.17 2.01 -1.26 -0.88 115.64 119.40 1wsj s THR 34 Ca 0.00 -1.47 0.01 0.00 0.31 0.00 0.00 61.69 60.54 1wsj s THR 34 Cb -0.02 -1.53 -0.01 0.00 0.01 0.00 0.00 72.50 70.95 1wsj s THR 34 CO -0.00 -0.01 -0.05 -0.36 -0.69 0.00 0.00 174.62 173.51 1wsj s PHE 35 N -1.09 0.41 -0.15 4.92 0.08 -0.13 -5.01 117.98 117.01 1wsj s PHE 35 Ca 0.06 -0.34 -0.29 0.00 0.12 0.00 0.00 56.93 56.48 1wsj s PHE 35 Cb -0.10 -0.26 0.10 0.00 -0.57 0.00 0.00 43.02 42.20 1wsj s PHE 35 CO 0.04 -0.08 0.87 0.45 -0.10 0.00 0.00 175.22 176.40 1wsj s SER 36 N -0.99 -0.51 -0.22 1.36 0.15 -1.26 -1.38 113.70 110.85 1wsj s SER 36 Ca -0.08 0.66 -0.27 0.00 0.70 0.00 0.00 55.95 56.96 1wsj s SER 36 Cb -0.07 0.56 0.11 0.00 -1.71 0.00 0.00 66.02 64.91 1wsj s SER 36 CO -0.00 -0.40 0.95 0.00 1.20 0.00 0.00 173.24 174.99 1wsj s ALA 37 N -0.83 -1.92 -0.06 5.45 0.00 -1.20 -5.00 121.76 118.21 1wsj s ALA 37 Ca -0.04 1.76 0.04 0.00 0.00 0.00 0.00 51.96 53.72 1wsj s ALA 37 Cb -0.01 -1.05 -0.02 0.00 0.00 0.00 0.00 23.12 22.03 1wsj s ALA 37 CO 0.03 -0.28 -0.17 0.20 0.00 0.00 0.00 175.76 175.54 1wsj s GLY 38 N -0.28 1.47 -0.06 0.00 0.00 -1.26 -2.20 107.32 104.99 1wsj s GLY 38 Ca -0.00 -1.00 0.01 0.00 0.00 0.00 0.00 44.72 43.73 1wsj s GLY 38 CO -0.01 -0.71 -0.06 -0.19 0.00 0.00 0.00 173.10 172.13 1wsj s TYR 39 N -0.52 2.95 0.20 1.90 1.51 0.20 -1.29 117.35 122.30 1wsj s TYR 39 Ca 0.07 0.03 -0.11 0.00 -1.01 0.00 0.00 57.07 56.05 1wsj s TYR 39 Cb -0.12 -1.70 0.21 0.00 -0.11 0.00 0.00 41.96 40.24 1wsj s TYR 39 CO 0.01 0.35 1.78 1.79 -1.11 0.00 0.00 175.55 178.38 1wsj h THR 40 N 4.16 0.91 -3.17 -0.71 1.35 -1.29 -1.77 112.91 112.39 1wsj h THR 40 Ca -0.49 -0.18 -0.42 0.00 -0.55 0.00 0.00 66.41 64.77 1wsj h THR 40 Cb 1.17 0.33 -0.40 0.00 -1.73 0.00 0.00 68.15 67.52 1wsj h THR 40 CO 0.53 0.10 -0.75 -0.60 -0.25 0.00 0.00 175.52 174.55 1wsj s ARG 41 N -6.11 0.02 0.00 4.72 3.52 -1.26 -3.08 118.95 116.76 1wsj s ARG 41 Ca -0.13 0.12 0.00 0.00 -0.13 0.00 0.00 55.73 55.59 1wsj s ARG 41 Cb 0.15 -1.25 0.00 0.00 -1.56 0.00 0.00 34.95 32.30 1wsj s ARG 41 CO 0.75 -0.51 0.00 -2.37 -0.81 0.00 0.00 175.30 172.35 1wsj n THR 42 N 5.28 0.00 -4.38 4.11 5.66 -0.89 -4.48 114.28 119.57 1wsj n THR 42 Ca -0.05 0.00 -0.19 0.00 -3.05 0.00 0.00 64.05 60.75 1wsj n THR 42 Cb 0.49 0.00 -0.10 0.00 -1.55 0.00 0.00 70.33 69.17 1wsj n THR 42 CO 0.00 0.00 0.00 0.42 -3.05 0.00 0.00 175.07 172.44 1wsj s THR 43 N -2.94 1.26 0.15 1.09 -4.23 -1.26 -1.70 115.64 108.01 1wsj s THR 43 Ca 0.00 -2.06 -0.15 0.00 -1.18 0.00 0.00 61.69 58.30 1wsj s THR 43 Cb 0.00 -2.46 0.03 0.00 1.34 0.00 0.00 72.50 71.41 1wsj s THR 43 CO 0.00 -0.26 1.77 -1.13 -0.54 0.00 0.00 174.62 174.46 1wsj h ASN 44 N 2.34 0.56 -0.29 3.99 -1.24 -1.87 -2.38 115.58 116.70 1wsj h ASN 44 Ca -0.39 -0.08 0.03 0.00 0.71 0.00 0.00 56.30 56.57 1wsj h ASN 44 Cb 1.23 -0.14 -0.03 0.00 0.73 0.00 0.00 38.32 40.10 1wsj h ASN 44 CO 0.66 0.47 0.09 0.78 -1.29 0.00 0.00 177.43 178.14 1wsj h ASN 45 N 0.60 0.08 -0.01 1.15 -0.26 -1.96 0.06 115.58 115.24 1wsj h ASN 45 Ca 0.16 0.03 -0.04 0.00 -0.56 0.00 0.00 56.30 55.90 1wsj h ASN 45 Cb 0.03 0.03 -0.01 0.00 -1.06 0.00 0.00 38.32 37.31 1wsj h ASN 45 CO -0.03 0.08 -0.08 0.03 -1.06 0.00 0.00 177.43 176.37 1wsj h ARG 46 N 0.21 0.22 -0.11 0.81 3.08 -1.95 -2.07 114.38 114.57 1wsj h ARG 46 Ca 0.13 -0.04 -0.19 0.00 0.07 0.00 0.00 59.98 59.95 1wsj h ARG 46 Cb 0.11 -0.03 -0.00 0.00 0.08 0.00 0.00 29.97 30.12 1wsj h ARG 46 CO -0.14 0.31 -0.71 0.52 -1.07 0.00 0.00 179.97 178.87 1wsj h MET 47 N 0.21 0.49 -0.59 0.04 2.86 -0.85 -1.47 114.93 115.62 1wsj h MET 47 Ca 0.05 -0.39 -0.06 0.00 -2.06 0.00 0.00 59.70 57.23 1wsj h MET 47 Cb 0.28 0.08 -0.02 0.00 0.06 0.00 0.00 31.60 31.99 1wsj h MET 47 CO 0.01 1.02 0.12 0.93 1.06 0.00 0.00 176.91 180.05 1wsj h GLU 48 N 0.34 0.97 -0.11 1.72 5.08 -0.45 -1.86 114.58 120.27 1wsj h GLU 48 Ca -0.03 -0.25 -0.02 0.00 -1.00 0.00 0.00 59.36 58.06 1wsj h GLU 48 Cb 1.29 -0.12 -0.00 0.00 0.50 0.00 0.00 28.75 30.42 1wsj h GLU 48 CO 0.13 0.90 -0.02 -0.07 -1.00 0.00 0.00 179.01 178.95 1wsj h LEU 49 N 0.87 0.21 -1.38 1.33 3.38 -1.37 -3.13 115.31 115.22 1wsj h LEU 49 Ca 0.18 -0.36 0.12 0.00 0.09 0.00 0.00 57.88 57.91 1wsj h LEU 49 Cb 0.39 -0.06 -0.06 0.00 0.09 0.00 0.00 40.66 41.03 1wsj h LEU 49 CO 0.01 0.52 0.53 -0.03 0.09 0.00 0.00 178.44 179.56 1wsj h MET 50 N -0.11 0.62 -0.39 1.13 4.05 -1.13 -0.32 114.93 118.79 1wsj h MET 50 Ca 0.03 -0.04 0.01 0.00 -0.28 0.00 0.00 59.70 59.42 1wsj h MET 50 Cb 0.43 -0.14 -0.02 0.00 -0.80 0.00 0.00 31.60 31.07 1wsj h MET 50 CO 0.01 0.41 0.25 0.00 0.23 0.00 0.00 176.91 177.81 1wsj h ALA 51 N 1.61 0.49 -0.09 0.39 0.00 -1.28 -0.28 119.26 120.09 1wsj h ALA 51 Ca 0.39 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 55.26 1wsj h ALA 51 Cb 0.63 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 18.28 1wsj h ALA 51 CO -0.16 -0.07 -0.03 0.00 0.00 0.00 0.00 179.25 179.00 1wsj h ALA 52 N 1.15 0.13 -0.14 0.00 0.00 -1.30 -2.56 119.26 116.54 1wsj h ALA 52 Ca 0.15 -0.22 0.05 0.00 0.00 0.00 0.00 54.91 54.88 1wsj h ALA 52 Cb -0.04 -0.03 -0.06 0.00 0.00 0.00 0.00 17.79 17.66 1wsj h ALA 52 CO -0.04 -0.13 -0.25 0.82 0.00 0.00 0.00 179.25 179.64 1wsj h ILE 53 N -0.15 0.40 -0.60 0.00 2.04 -0.87 -0.35 117.51 117.99 1wsj h ILE 53 Ca 0.02 0.00 -0.01 0.00 1.00 0.00 0.00 64.86 65.87 1wsj h ILE 53 Cb 0.44 0.40 -0.03 0.00 -0.74 0.00 0.00 36.82 36.90 1wsj h ILE 53 CO 0.01 0.00 0.33 0.58 0.00 0.00 0.00 178.15 179.07 1wsj h VAL 54 N -0.31 1.19 -0.55 1.67 2.07 -1.10 -0.42 116.25 118.81 1wsj h VAL 54 Ca 0.10 -0.47 -0.04 0.00 0.82 0.00 0.00 66.70 67.11 1wsj h VAL 54 Cb 0.47 0.41 -0.02 0.00 -1.52 0.00 0.00 31.29 30.63 1wsj h VAL 54 CO -0.32 0.21 0.19 0.00 0.02 0.00 0.00 177.57 177.66 1wsj h ALA 55 N 1.16 0.71 -0.38 1.67 0.00 -1.15 -2.42 119.26 118.85 1wsj h ALA 55 Ca 0.21 -0.18 -0.15 0.00 0.00 0.00 0.00 54.91 54.79 1wsj h ALA 55 Cb 0.03 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.60 1wsj h ALA 55 CO -0.04 0.36 -0.36 -0.07 0.00 0.00 0.00 179.25 179.15 1wsj h LEU 56 N 0.75 0.97 -1.85 0.00 3.38 -0.88 -3.04 115.31 114.64 1wsj h LEU 56 Ca 0.18 -0.46 -0.01 0.00 0.09 0.00 0.00 57.88 57.68 1wsj h LEU 56 Cb 0.25 -0.27 -0.00 0.00 0.09 0.00 0.00 40.66 40.73 1wsj h LEU 56 CO -0.01 1.23 -0.06 -0.33 0.09 0.00 0.00 178.44 179.37 1wsj h GLU 57 N 0.72 0.00 0.00 1.13 5.08 -0.97 -2.35 114.58 118.20 1wsj h GLU 57 Ca 0.06 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.41 1wsj h GLU 57 Cb 0.95 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.20 1wsj h GLU 57 CO 0.09 0.06 -0.07 0.00 -1.00 0.00 0.00 179.01 178.08 1wsj h ALA 58 N 1.94 1.06 -2.34 3.43 0.00 -1.31 -3.42 119.26 118.61 1wsj h ALA 58 Ca -0.00 -0.07 -0.55 0.00 0.00 0.00 0.00 54.91 54.29 1wsj h ALA 58 Cb 0.39 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.15 1wsj h ALA 58 CO 0.01 0.09 0.54 -0.51 0.00 0.00 0.00 179.25 179.38 1wsj s LEU 59 N -6.52 4.31 -0.12 0.00 1.43 -0.89 -4.96 118.68 111.92 1wsj s LEU 59 Ca -0.01 1.70 -0.12 0.00 -1.03 0.00 0.00 54.13 54.67 1wsj s LEU 59 Cb 0.10 -3.56 -0.10 0.00 0.03 0.00 0.00 46.19 42.66 1wsj s LEU 59 CO 0.56 -0.43 0.25 0.07 0.23 0.00 0.00 176.35 177.03 1wsj h LYS 60 N 7.05 0.00 -6.76 1.70 2.10 -1.88 -3.48 116.57 115.30 1wsj h LYS 60 Ca -0.36 0.00 -0.45 0.00 -2.00 0.00 0.00 60.65 57.84 1wsj h LYS 60 Cb 1.18 0.00 0.04 0.00 -0.90 0.00 0.00 32.23 32.55 1wsj h LYS 60 CO 0.82 0.40 -0.07 -1.83 -2.00 0.00 0.00 179.45 176.77 1wsj s GLU 61 N -1.89 2.81 0.21 0.07 -1.05 -1.26 -5.04 118.70 112.55 1wsj s GLU 61 Ca -0.10 -0.64 -0.31 0.00 -0.15 0.00 0.00 54.97 53.78 1wsj s GLU 61 Cb -0.00 -2.53 -0.10 0.00 -0.44 0.00 0.00 34.13 31.06 1wsj s GLU 61 CO 0.29 -0.48 1.47 -1.01 0.95 0.00 0.00 175.26 176.48 1wsj s HIS 62 N -2.65 3.06 0.11 4.83 3.76 -1.26 -4.99 115.29 118.15 1wsj s HIS 62 Ca 0.53 0.91 0.01 0.00 -0.15 0.00 0.00 55.06 56.36 1wsj s HIS 62 Cb -0.10 -3.83 -0.04 0.00 1.11 0.00 0.00 32.58 29.71 1wsj s HIS 62 CO 0.38 -2.84 -0.03 0.00 -0.85 0.00 0.00 174.74 171.39 1wsj s GLU 64 N -3.89 4.11 -0.07 0.00 2.02 -0.32 -1.14 118.70 119.41 1wsj s GLU 64 Ca 0.16 0.33 0.05 0.00 0.02 0.00 0.00 54.97 55.53 1wsj s GLU 64 Cb 0.06 -3.62 -0.01 0.00 0.10 0.00 0.00 34.13 30.66 1wsj s GLU 64 CO -0.03 -0.27 -0.24 0.08 0.02 0.00 0.00 175.26 174.83 1wsj s VAL 65 N 2.04 2.13 -0.45 2.63 1.01 0.11 -0.72 120.40 127.14 1wsj s VAL 65 Ca 0.22 -1.03 -0.06 0.00 0.00 0.00 0.00 61.98 61.11 1wsj s VAL 65 Cb -0.15 -1.79 0.12 0.00 0.00 0.00 0.00 36.38 34.56 1wsj s VAL 65 CO 0.09 0.57 0.28 -0.63 0.00 0.00 0.00 175.10 175.41 1wsj s ILE 66 N -0.01 3.73 -0.29 2.22 1.01 -0.50 -0.18 121.20 127.18 1wsj s ILE 66 Ca -0.08 -1.99 -0.15 0.00 0.00 0.00 0.00 60.65 58.42 1wsj s ILE 66 Cb -0.15 -3.50 -0.03 0.00 0.01 0.00 0.00 42.46 38.79 1wsj s ILE 66 CO 0.05 -0.74 0.39 -0.22 0.00 0.00 0.00 174.94 174.42 1wsj s LEU 67 N 1.16 4.13 -0.17 2.97 0.20 -0.73 -0.92 118.68 125.32 1wsj s LEU 67 Ca 0.08 0.18 -0.03 0.00 0.69 0.00 0.00 54.13 55.04 1wsj s LEU 67 Cb -0.24 -2.43 -0.02 0.00 -0.43 0.00 0.00 46.19 43.07 1wsj s LEU 67 CO -0.03 -0.24 -0.04 -0.55 -0.29 0.00 0.00 176.35 175.20 1wsj s SER 68 N 1.67 4.62 -0.21 3.68 0.15 0.21 -0.61 113.70 123.20 1wsj s SER 68 Ca 0.15 -0.21 -0.27 0.00 0.70 0.00 0.00 55.95 56.32 1wsj s SER 68 Cb -0.16 -1.76 0.09 0.00 -1.71 0.00 0.00 66.02 62.48 1wsj s SER 68 CO 0.11 0.12 0.80 0.28 1.20 0.00 0.00 173.24 175.75 1wsj s THR 69 N 0.65 0.00 -2.05 6.45 -1.32 -1.02 -1.91 115.64 116.44 1wsj s THR 69 Ca -0.03 0.00 0.20 0.00 -1.21 0.00 0.00 61.69 60.66 1wsj s THR 69 Cb -0.15 -1.00 0.55 0.00 -1.51 0.00 0.00 72.50 70.39 1wsj s THR 69 CO 0.02 0.00 1.47 -0.90 -2.21 0.00 0.00 174.62 173.00 1wsj n ASP 70 N 2.01 3.38 -4.63 8.08 5.68 -1.26 -3.17 116.55 126.64 1wsj n ASP 70 Ca -0.14 -1.99 -0.43 0.00 -0.50 0.00 0.00 54.79 51.73 1wsj n ASP 70 Cb 0.56 -0.40 -0.03 0.00 -1.14 0.00 0.00 41.12 40.11 1wsj n ASP 70 CO 0.00 0.00 0.00 -0.55 -1.33 0.00 0.00 177.20 175.32 1wsj s SER 71 N -1.06 6.25 0.26 -1.12 0.15 -1.26 -4.86 113.70 112.05 1wsj s SER 71 Ca 0.42 1.79 0.03 0.00 0.70 0.00 0.00 55.95 58.90 1wsj s SER 71 Cb 0.22 -2.53 0.35 0.00 -1.71 0.00 0.00 66.02 62.35 1wsj s SER 71 CO 0.29 -1.34 1.65 -0.61 1.20 0.00 0.00 173.24 174.44 1wsj h GLN 72 N 11.38 0.38 0.83 5.44 4.15 -1.96 -1.99 115.11 133.34 1wsj h GLN 72 Ca -0.37 -0.19 -0.04 0.00 0.77 0.00 0.00 58.65 58.83 1wsj h GLN 72 Cb 1.18 -0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.87 1wsj h GLN 72 CO 0.99 0.73 -0.44 -0.92 -1.93 0.00 0.00 178.83 177.25 1wsj h TYR 73 N 0.32 -1.16 -0.71 3.99 3.20 -1.99 0.13 116.97 120.74 1wsj h TYR 73 Ca 0.03 -0.02 0.04 0.00 3.14 0.00 0.00 58.73 61.92 1wsj h TYR 73 Cb 0.85 0.40 -0.05 0.00 1.54 0.00 0.00 36.73 39.47 1wsj h TYR 73 CO 0.02 -0.69 0.43 0.28 -1.64 0.00 0.00 178.16 176.57 1wsj h VAL 74 N -1.17 1.05 -0.25 1.81 2.07 -1.94 -1.36 116.25 116.46 1wsj h VAL 74 Ca -0.11 -0.28 0.03 0.00 0.82 0.00 0.00 66.70 67.16 1wsj h VAL 74 Cb 0.91 0.15 -0.03 0.00 -1.52 0.00 0.00 31.29 30.80 1wsj h VAL 74 CO 0.16 0.15 0.05 -0.09 0.02 0.00 0.00 177.57 177.86 1wsj h ARG 75 N 0.82 0.15 -0.10 1.57 2.43 -1.16 -0.28 114.38 117.81 1wsj h ARG 75 Ca 0.30 -0.01 -0.00 0.00 -0.81 0.00 0.00 59.98 59.46 1wsj h ARG 75 Cb 0.09 -0.03 -0.00 0.00 -0.42 0.00 0.00 29.97 29.60 1wsj h ARG 75 CO -0.14 0.10 0.05 1.96 -1.51 0.00 0.00 179.97 180.43 1wsj h GLN 76 N 0.15 0.14 -0.89 0.20 4.20 -0.38 -2.00 115.11 116.53 1wsj h GLN 76 Ca 0.12 -0.02 0.05 0.00 0.06 0.00 0.00 58.65 58.86 1wsj h GLN 76 Cb 0.11 -0.03 -0.06 0.00 0.30 0.00 0.00 27.48 27.81 1wsj h GLN 76 CO -0.15 0.18 0.57 0.78 -0.67 0.00 0.00 178.83 179.54 1wsj h GLY 77 N 0.06 1.33 1.37 3.46 0.00 -0.98 0.89 103.07 109.20 1wsj h GLY 77 Ca 0.03 -0.43 -0.16 0.00 0.00 0.00 0.00 47.33 46.78 1wsj h GLY 77 CO -0.01 0.33 -0.49 -2.22 0.00 0.00 0.00 176.54 174.16 1wsj h ILE 78 N 1.08 1.30 -0.02 2.60 1.08 -0.92 1.17 117.51 123.80 1wsj h ILE 78 Ca 0.37 -1.70 0.00 0.00 -0.39 0.00 0.00 64.86 63.14 1wsj h ILE 78 Cb 0.08 1.64 0.00 0.00 -3.07 0.00 0.00 36.82 35.47 1wsj h ILE 78 CO -0.14 0.54 -0.03 0.35 -0.69 0.00 0.00 178.15 178.18 1wsj n THR 79 N -4.00 0.00 0.00 -0.27 -2.24 -0.76 -4.58 114.28 102.43 1wsj n THR 79 Ca -0.03 -0.48 0.00 0.00 -2.27 0.00 0.00 64.05 61.27 1wsj n THR 79 Cb 0.58 1.29 0.00 0.00 -2.10 0.00 0.00 70.33 70.10 1wsj n THR 79 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1wsj n GLN 80 N 0.72 1.91 -0.02 -0.78 6.02 0.31 -4.98 117.38 120.56 1wsj n GLN 80 Ca 0.08 0.00 -0.02 0.00 -0.01 0.00 0.00 57.00 57.05 1wsj n GLN 80 Cb 0.36 -0.77 -0.01 0.00 1.02 0.00 0.00 30.24 30.83 1wsj n GLN 80 CO 0.00 0.00 0.00 0.91 -1.01 0.00 0.00 177.06 176.96 1wsj n TRP 81 N -1.42 0.00 -0.32 1.08 8.01 -1.03 -4.73 117.44 119.03 1wsj n TRP 81 Ca 0.00 0.00 0.22 0.00 -1.31 0.00 0.00 57.50 56.41 1wsj n TRP 81 Cb 0.27 -0.12 0.44 0.00 -2.01 0.00 0.00 31.31 29.90 1wsj n TRP 81 CO 0.00 0.00 0.00 0.97 -1.01 0.00 0.00 177.69 177.65 1wsj h ILE 82 N -0.00 0.23 -0.37 -0.99 6.09 0.11 0.78 117.51 123.36 1wsj h ILE 82 Ca -0.07 -0.08 -0.04 0.00 -1.37 0.00 0.00 64.86 63.30 1wsj h ILE 82 Cb 1.10 -0.01 -0.01 0.00 0.47 0.00 0.00 36.82 38.37 1wsj h ILE 82 CO -0.01 0.04 0.07 -0.74 -3.07 0.00 0.00 178.15 174.44 1wsj h HIS 83 N 0.22 0.65 -0.06 2.19 2.76 -1.84 -2.98 115.15 116.10 1wsj h HIS 83 Ca 0.71 -0.09 -0.02 0.00 -2.20 0.00 0.00 60.37 58.77 1wsj h HIS 83 Cb 1.62 -0.18 -0.00 0.00 1.55 0.00 0.00 27.41 30.40 1wsj h HIS 83 CO -0.10 0.65 -0.05 -0.91 -1.30 0.00 0.00 177.93 176.22 1wsj h ASN 84 N 0.46 0.15 -0.17 3.26 2.35 -1.20 -2.74 115.58 117.69 1wsj h ASN 84 Ca 0.11 -0.47 0.05 0.00 -0.55 0.00 0.00 56.30 55.45 1wsj h ASN 84 Cb 0.35 -0.04 -0.07 0.00 0.05 0.00 0.00 38.32 38.61 1wsj h ASN 84 CO 0.01 0.59 -0.42 -0.50 -1.65 0.00 0.00 177.43 175.45 1wsj h TRP 85 N -0.28 -1.20 -0.42 1.19 6.55 -1.22 -0.39 115.95 120.17 1wsj h TRP 85 Ca 0.01 0.05 0.08 0.00 0.95 0.00 0.00 58.89 59.98 1wsj h TRP 85 Cb 0.54 0.55 -0.07 0.00 -0.86 0.00 0.00 29.16 29.32 1wsj h TRP 85 CO 0.08 -0.47 -0.05 0.87 -1.05 0.00 0.00 178.44 177.83 1wsj h LYS 86 N -0.46 0.05 -0.93 0.49 1.57 -1.61 1.58 116.57 117.25 1wsj h LYS 86 Ca 0.09 -0.00 0.20 0.00 -1.87 0.00 0.00 60.65 59.06 1wsj h LYS 86 Cb 0.62 -0.01 -0.08 0.00 0.08 0.00 0.00 32.23 32.84 1wsj h LYS 86 CO -0.42 0.03 0.60 0.00 -0.57 0.00 0.00 179.45 179.10 1wsj h ALA 87 N 1.40 2.06 -0.53 3.86 0.00 -0.94 0.49 119.26 125.59 1wsj h ALA 87 Ca 0.21 0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.15 1wsj h ALA 87 Cb 0.31 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.05 1wsj h ALA 87 CO -0.39 -0.36 0.00 0.54 0.00 0.00 0.00 179.25 179.04 1wsj n ARG 88 N -4.57 2.27 -2.31 0.00 1.74 -0.11 -4.91 116.66 108.78 1wsj n ARG 88 Ca 0.20 -1.98 -0.08 0.00 -0.77 0.00 0.00 57.85 55.23 1wsj n ARG 88 Cb 0.66 -1.43 0.00 0.00 -1.02 0.00 0.00 32.46 30.67 1wsj n ARG 88 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1wsj n GLY 89 N 1.38 0.13 2.06 -0.13 0.00 0.17 -3.92 105.19 104.88 1wsj n GLY 89 Ca 0.19 -0.52 -0.06 0.00 0.00 0.00 0.00 46.02 45.63 1wsj n GLY 89 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 1wsj n TRP 90 N -3.88 -0.85 -3.98 1.61 7.02 0.52 -4.94 117.44 112.93 1wsj n TRP 90 Ca -0.07 0.31 -0.09 0.00 -1.02 0.00 0.00 57.50 56.63 1wsj n TRP 90 Cb 0.56 -3.08 -0.11 0.00 -2.42 0.00 0.00 31.31 26.25 1wsj n TRP 90 CO 0.00 0.00 0.00 0.15 -2.02 0.00 0.00 177.69 175.82 1wsj s LYS 91 N -3.74 0.32 0.00 -0.99 -0.14 -1.23 -4.43 119.74 109.53 1wsj s LYS 91 Ca 0.12 -0.62 0.00 0.00 -1.36 0.00 0.00 55.97 54.11 1wsj s LYS 91 Cb -0.02 0.10 0.00 0.00 -1.68 0.00 0.00 37.83 36.23 1wsj s LYS 91 CO 0.26 -0.05 0.00 0.25 -0.76 0.00 0.00 175.35 175.06 1wsj n THR 92 N 1.58 0.00 0.00 2.17 -2.24 -0.53 -4.47 114.28 110.78 1wsj n THR 92 Ca -0.24 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.54 1wsj n THR 92 Cb 0.55 -1.86 0.00 0.00 -2.10 0.00 0.00 70.33 66.92 1wsj n THR 92 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1wsj n ALA 93 N -3.00 -0.18 0.20 6.98 0.00 -1.26 -2.18 120.51 121.08 1wsj n ALA 93 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1wsj n ALA 93 Cb 0.00 0.09 0.00 0.00 0.00 0.00 0.00 19.45 19.54 1wsj n ALA 93 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 1wsj n ASP 94 N -1.36 2.46 0.00 0.00 3.85 -1.26 -4.70 116.55 115.54 1wsj n ASP 94 Ca 0.00 -1.50 0.00 0.00 -0.71 0.00 0.00 54.79 52.58 1wsj n ASP 94 Cb 0.00 -0.47 0.00 0.00 -1.35 0.00 0.00 41.12 39.30 1wsj n ASP 94 CO 0.00 0.00 0.00 2.29 -1.01 0.00 0.00 177.20 178.48 1wsj n LYS 95 N 1.14 -1.67 -1.77 0.11 2.85 -0.93 -4.95 118.16 112.95 1wsj n LYS 95 Ca 0.00 0.34 -0.36 0.00 -1.05 0.00 0.00 58.31 57.24 1wsj n LYS 95 Cb 0.30 -4.44 0.06 0.00 -0.65 0.00 0.00 35.03 30.31 1wsj n LYS 95 CO 0.00 0.00 0.00 0.15 -0.05 0.00 0.00 177.40 177.50 1wsj s LYS 96 N -1.50 2.61 0.50 -1.58 3.01 -1.26 -4.43 119.74 117.08 1wsj s LYS 96 Ca 0.00 1.94 -0.23 0.00 -1.01 0.00 0.00 55.97 56.67 1wsj s LYS 96 Cb 0.00 -1.87 -0.06 0.00 -1.01 0.00 0.00 37.83 34.89 1wsj s LYS 96 CO 0.00 -1.52 1.34 -2.14 0.51 0.00 0.00 175.35 173.55 1wsj s PRO 97 N -3.46 3.44 0.04 -1.68 0.02 -1.26 -1.46 135.00 130.65 1wsj s PRO 97 Ca 0.80 2.21 -0.26 0.00 0.02 0.00 0.00 61.00 63.77 1wsj s PRO 97 Cb -0.34 -2.43 -0.05 0.00 0.02 0.00 0.00 34.50 31.70 1wsj s PRO 97 CO 0.39 -0.94 0.79 0.14 -0.33 0.00 0.00 177.00 177.05 1wsj s VAL 98 N -1.30 4.75 0.28 3.83 -7.23 -1.26 -4.80 120.40 114.67 1wsj s VAL 98 Ca 0.66 1.68 -0.30 0.00 -1.81 0.00 0.00 61.98 62.21 1wsj s VAL 98 Cb -0.39 -4.14 -0.11 0.00 0.56 0.00 0.00 36.38 32.30 1wsj s VAL 98 CO 0.48 0.33 1.54 -0.75 -0.31 0.00 0.00 175.10 176.40 1wsj s LYS 99 N 0.11 4.16 -1.73 4.82 2.20 -1.26 -2.20 119.74 125.84 1wsj s LYS 99 Ca 0.40 2.50 -0.01 0.00 -0.36 0.00 0.00 55.97 58.49 1wsj s LYS 99 Cb -0.20 -3.05 0.00 0.00 -1.51 0.00 0.00 37.83 33.07 1wsj s LYS 99 CO 0.23 -0.56 0.16 0.09 -0.36 0.00 0.00 175.35 174.91 1wsj n ASN 100 N 2.13 -6.00 -0.18 1.43 3.02 -1.26 -4.87 115.26 109.53 1wsj n ASN 100 Ca 0.07 -0.09 0.16 0.00 -0.03 0.00 0.00 54.58 54.69 1wsj n ASN 100 Cb 0.38 -4.95 0.50 0.00 -0.61 0.00 0.00 39.78 35.11 1wsj n ASN 100 CO 0.00 0.00 0.00 1.62 -2.62 0.00 0.00 177.26 176.26 1wsj h VAL 101 N -0.37 0.78 -0.66 2.41 3.04 -1.86 -0.34 116.25 119.25 1wsj h VAL 101 Ca -0.51 -0.14 -0.03 0.00 -1.01 0.00 0.00 66.70 65.01 1wsj h VAL 101 Cb 1.37 0.32 -0.03 0.00 -2.01 0.00 0.00 31.29 30.94 1wsj h VAL 101 CO 0.58 0.08 0.32 -2.24 -1.01 0.00 0.00 177.57 175.30 1wsj h ASP 102 N 0.42 0.87 0.07 3.17 2.03 -1.89 -1.45 116.42 119.63 1wsj h ASP 102 Ca 0.39 -0.13 -0.27 0.00 -0.73 0.00 0.00 57.03 56.28 1wsj h ASP 102 Cb 0.89 -0.22 0.03 0.00 -0.83 0.00 0.00 39.33 39.19 1wsj h ASP 102 CO -0.13 0.76 -1.11 -0.07 -1.03 0.00 0.00 179.24 177.67 1wsj h LEU 103 N 0.92 0.86 -1.18 0.15 3.38 -1.52 -2.93 115.31 114.99 1wsj h LEU 103 Ca 0.23 -0.79 -0.00 0.00 0.09 0.00 0.00 57.88 57.40 1wsj h LEU 103 Cb 0.12 -0.27 -0.04 0.00 0.09 0.00 0.00 40.66 40.57 1wsj h LEU 103 CO -0.03 1.55 0.45 -0.50 0.09 0.00 0.00 178.44 180.00 1wsj h TRP 104 N 0.27 0.98 -0.47 1.13 4.06 -1.04 -0.35 115.95 120.53 1wsj h TRP 104 Ca -0.16 0.00 -0.12 0.00 2.06 0.00 0.00 58.89 60.68 1wsj h TRP 104 Cb 1.78 -0.32 -0.01 0.00 -1.00 0.00 0.00 29.16 29.60 1wsj h TRP 104 CO 0.12 0.65 -0.17 1.96 -3.56 0.00 0.00 178.44 177.44 1wsj h GLN 105 N 1.03 0.95 -0.45 0.49 4.20 -1.32 -0.54 115.11 119.47 1wsj h GLN 105 Ca 0.27 -0.39 -0.13 0.00 0.06 0.00 0.00 58.65 58.47 1wsj h GLN 105 Cb -0.04 -0.04 -0.01 0.00 0.30 0.00 0.00 27.48 27.68 1wsj h GLN 105 CO -0.05 1.05 -0.22 -0.09 -0.67 0.00 0.00 178.83 178.85 1wsj h ARG 106 N 0.79 0.91 -0.31 1.46 2.43 -1.26 -2.12 114.38 116.29 1wsj h ARG 106 Ca 0.11 -0.38 -0.06 0.00 -0.81 0.00 0.00 59.98 58.85 1wsj h ARG 106 Cb 0.73 -0.04 -0.01 0.00 -0.42 0.00 0.00 29.97 30.24 1wsj h ARG 106 CO 0.06 1.03 -0.03 1.25 -1.51 0.00 0.00 179.97 180.77 1wsj h LEU 107 N 0.79 0.56 -1.23 3.80 5.85 -0.96 -2.40 115.31 121.72 1wsj h LEU 107 Ca 0.11 -0.33 0.06 0.00 0.84 0.00 0.00 57.88 58.55 1wsj h LEU 107 Cb 0.77 -0.15 -0.05 0.00 0.37 0.00 0.00 40.66 41.59 1wsj h LEU 107 CO 0.06 0.76 0.55 -0.78 -0.34 0.00 0.00 178.44 178.69 1wsj h ASP 108 N 0.35 0.83 -0.23 1.25 1.82 -0.96 -0.07 116.42 119.42 1wsj h ASP 108 Ca 0.08 0.00 -0.05 0.00 -0.39 0.00 0.00 57.03 56.68 1wsj h ASP 108 Cb 0.48 -0.18 -0.01 0.00 0.68 0.00 0.00 39.33 40.31 1wsj h ASP 108 CO 0.02 0.54 -0.05 0.00 -1.61 0.00 0.00 179.24 178.15 1wsj h ALA 109 N 1.54 0.31 -0.72 -0.78 0.00 -1.23 -2.28 119.26 116.10 1wsj h ALA 109 Ca 0.35 -0.26 -0.06 0.00 0.00 0.00 0.00 54.91 54.95 1wsj h ALA 109 Cb 0.18 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 17.86 1wsj h ALA 109 CO -0.12 0.10 0.21 0.00 0.00 0.00 0.00 179.25 179.44 1wsj h ALA 110 N 0.76 1.01 -0.78 0.00 0.00 -0.95 -2.70 119.26 116.60 1wsj h ALA 110 Ca 0.06 -0.23 -0.02 0.00 0.00 0.00 0.00 54.91 54.72 1wsj h ALA 110 Cb 0.50 -0.28 -0.04 0.00 0.00 0.00 0.00 17.79 17.97 1wsj h ALA 110 CO 0.02 0.66 0.42 -0.07 0.00 0.00 0.00 179.25 180.28 1wsj h LEU 111 N 1.08 0.97 0.00 0.00 3.38 -0.94 -1.89 115.31 117.91 1wsj h LEU 111 Ca 0.23 -0.08 0.00 0.00 0.09 0.00 0.00 57.88 58.12 1wsj h LEU 111 Cb 0.32 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 40.82 1wsj h LEU 111 CO -0.01 0.79 0.00 0.61 0.09 0.00 0.00 178.44 179.92 1wsj n GLY 112 N -1.17 -0.67 0.29 0.83 0.00 -0.87 -2.18 105.19 101.41 1wsj n GLY 112 Ca 0.08 -0.05 0.12 0.00 0.00 0.00 0.00 46.02 46.17 1wsj n GLY 112 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1wsj n GLN 113 N -1.31 0.83 -4.19 1.61 1.13 -0.71 -4.98 117.38 109.75 1wsj n GLN 113 Ca 0.05 -0.58 -0.13 0.00 -1.94 0.00 0.00 57.00 54.40 1wsj n GLN 113 Cb 0.09 -1.49 -0.09 0.00 0.11 0.00 0.00 30.24 28.86 1wsj n GLN 113 CO 0.00 0.00 0.00 -1.01 -1.44 0.00 0.00 177.06 174.61 1wsj s HIS 114 N -2.57 1.17 -0.34 1.08 3.76 -0.93 -4.36 115.29 113.10 1wsj s HIS 114 Ca 0.20 -1.36 -0.15 0.00 -0.15 0.00 0.00 55.06 53.60 1wsj s HIS 114 Cb 0.18 -0.51 -0.01 0.00 1.11 0.00 0.00 32.58 33.36 1wsj s HIS 114 CO 0.58 -0.71 0.37 -0.65 -0.85 0.00 0.00 174.74 173.47 1wsj s GLN 115 N -4.03 3.57 -0.11 1.40 -0.21 -0.29 -4.96 119.66 115.03 1wsj s GLN 115 Ca 0.38 -0.40 -0.02 0.00 0.02 0.00 0.00 55.36 55.34 1wsj s GLN 115 Cb 0.06 -3.80 -0.03 0.00 1.00 0.00 0.00 33.01 30.23 1wsj s GLN 115 CO 0.14 -0.53 -0.02 0.42 -2.12 0.00 0.00 175.29 173.19 1wsj s ILE 116 N 2.03 4.10 -0.30 1.08 -1.09 -1.26 0.08 121.20 125.84 1wsj s ILE 116 Ca 0.12 -0.31 0.03 0.00 -2.23 0.00 0.00 60.65 58.26 1wsj s ILE 116 Cb -0.16 -2.74 0.08 0.00 -1.58 0.00 0.00 42.46 38.06 1wsj s ILE 116 CO 0.12 0.56 -0.00 -0.75 -1.23 0.00 0.00 174.94 173.64 1wsj s LYS 117 N -0.44 1.62 0.17 2.79 2.20 0.74 -4.96 119.74 121.86 1wsj s LYS 117 Ca 0.07 -1.53 -0.30 0.00 -0.36 0.00 0.00 55.97 53.85 1wsj s LYS 117 Cb -0.12 -2.91 -0.07 0.00 -1.51 0.00 0.00 37.83 33.21 1wsj s LYS 117 CO 0.02 -0.80 1.00 -1.58 -0.36 0.00 0.00 175.35 173.63 1wsj s TRP 118 N 1.10 3.78 -0.35 4.03 0.52 -1.26 -1.78 118.94 124.97 1wsj s TRP 118 Ca 0.03 1.77 0.01 0.00 0.02 0.00 0.00 56.10 57.93 1wsj s TRP 118 Cb -0.19 -3.11 0.11 0.00 -1.15 0.00 0.00 33.47 29.12 1wsj s TRP 118 CO -0.09 -0.01 0.12 -2.00 0.02 0.00 0.00 176.95 175.00 1wsj s GLU 119 N -0.50 1.05 0.19 4.98 2.12 0.22 -4.93 118.70 121.83 1wsj s GLU 119 Ca 0.46 -1.50 -0.23 0.00 0.36 0.00 0.00 54.97 54.06 1wsj s GLU 119 Cb -0.26 -2.38 -0.08 0.00 0.26 0.00 0.00 34.13 31.67 1wsj s GLU 119 CO 0.33 -1.02 0.76 -1.58 -0.54 0.00 0.00 175.26 173.21 1wsj s TRP 120 N 1.13 3.80 0.00 5.30 0.52 -1.26 -2.42 118.94 126.00 1wsj s TRP 120 Ca 0.12 1.54 0.00 0.00 0.02 0.00 0.00 56.10 57.78 1wsj s TRP 120 Cb -0.19 -2.71 0.00 0.00 -1.15 0.00 0.00 33.47 29.41 1wsj s TRP 120 CO -0.15 0.44 0.00 1.33 0.02 0.00 0.00 176.95 178.59 1wsj n VAL 121 N 1.23 0.00 -2.68 4.03 0.24 -1.19 -4.95 118.33 115.00 1wsj n VAL 121 Ca -0.04 0.00 -0.05 0.00 -2.04 0.00 0.00 64.34 62.20 1wsj n VAL 121 Cb 0.50 0.00 0.06 0.00 -1.47 0.00 0.00 33.84 32.93 1wsj n VAL 121 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1wsj n GLY 126 N 1.69 0.42 3.51 7.63 0.00 -1.26 -4.36 105.19 112.81 1wsj n GLY 126 Ca 0.00 -0.07 -0.24 0.00 0.00 0.00 0.00 46.02 45.70 1wsj n GLY 126 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1wsj s HIS 127 N 0.12 2.23 0.41 1.61 3.76 -1.26 -5.05 115.29 117.12 1wsj s HIS 127 Ca 0.14 -0.64 0.12 0.00 -0.15 0.00 0.00 55.06 54.53 1wsj s HIS 127 Cb 0.25 -1.35 0.94 0.00 1.11 0.00 0.00 32.58 33.53 1wsj s HIS 127 CO -0.06 0.41 1.95 -1.35 -0.85 0.00 0.00 174.74 174.84 1wsj h PRO 128 N 2.07 0.51 0.13 8.40 0.11 -2.05 -2.91 132.00 138.26 1wsj h PRO 128 Ca -0.42 -0.03 0.01 0.00 0.11 0.00 0.00 66.00 65.68 1wsj h PRO 128 Cb 1.24 -0.12 -0.03 0.00 0.11 0.00 0.00 31.00 32.21 1wsj h PRO 128 CO 0.71 0.34 -0.23 0.93 -0.21 0.00 0.00 178.00 179.54 1wsj h GLU 129 N 0.53 -0.42 -0.51 1.05 3.07 -1.98 0.20 114.58 116.51 1wsj h GLU 129 Ca 0.33 0.03 0.00 0.00 -0.50 0.00 0.00 59.36 59.22 1wsj h GLU 129 Cb 0.57 0.10 -0.03 0.00 -0.84 0.00 0.00 28.75 28.55 1wsj h GLU 129 CO -0.11 -0.28 0.33 -0.91 -1.40 0.00 0.00 179.01 176.64 1wsj h ASN 130 N -0.44 0.60 -0.76 1.42 -0.26 -1.91 -2.04 115.58 112.21 1wsj h ASN 130 Ca 0.02 -0.04 0.03 0.00 -0.56 0.00 0.00 56.30 55.75 1wsj h ASN 130 Cb 0.45 -0.15 -0.04 0.00 -1.06 0.00 0.00 38.32 37.52 1wsj h ASN 130 CO -0.12 0.46 0.48 -0.33 -1.06 0.00 0.00 177.43 176.86 1wsj h GLU 131 N 0.69 0.92 0.00 0.81 5.08 -1.33 -0.52 114.58 120.23 1wsj h GLU 131 Ca 0.19 -0.06 -0.02 0.00 -1.00 0.00 0.00 59.36 58.47 1wsj h GLU 131 Cb -0.05 -0.21 -0.00 0.00 0.50 0.00 0.00 28.75 28.99 1wsj h GLU 131 CO -0.04 0.61 -0.09 -0.09 -1.00 0.00 0.00 179.01 178.41 1wsj h ARG 132 N 0.95 0.00 -0.02 2.33 2.43 -0.19 -1.35 114.38 118.54 1wsj h ARG 132 Ca 0.30 0.00 -0.03 0.00 -0.81 0.00 0.00 59.98 59.43 1wsj h ARG 132 Cb -0.01 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.54 1wsj h ARG 132 CO -0.10 0.09 -0.12 0.00 -1.51 0.00 0.00 179.97 178.33 1wsj h ASP 134 N -0.54 0.95 0.02 0.00 3.32 -0.96 0.25 116.42 119.47 1wsj h ASP 134 Ca -0.01 0.02 0.00 0.00 0.02 0.00 0.00 57.03 57.06 1wsj h ASP 134 Cb 0.82 -0.18 -0.00 0.00 0.22 0.00 0.00 39.33 40.19 1wsj h ASP 134 CO 0.02 0.58 -0.02 -0.08 -1.72 0.00 0.00 179.24 178.03 1wsj h GLU 135 N 1.07 -0.04 -0.48 3.56 4.81 -1.24 0.25 114.58 122.51 1wsj h GLU 135 Ca 0.43 0.00 0.04 0.00 -0.13 0.00 0.00 59.36 59.70 1wsj h GLU 135 Cb 0.24 0.01 -0.04 0.00 0.63 0.00 0.00 28.75 29.59 1wsj h GLU 135 CO -0.19 -0.02 0.25 -0.07 -0.73 0.00 0.00 179.01 178.24 1wsj h LEU 136 N -0.04 0.38 -0.68 1.64 3.38 -0.47 -0.84 115.31 118.68 1wsj h LEU 136 Ca 0.00 0.02 -0.02 0.00 0.09 0.00 0.00 57.88 57.97 1wsj h LEU 136 Cb 0.04 -0.05 -0.03 0.00 0.09 0.00 0.00 40.66 40.70 1wsj h LEU 136 CO -0.00 0.26 0.36 0.00 0.09 0.00 0.00 178.44 179.15 1wsj h ALA 137 N 1.25 0.87 -0.12 1.53 0.00 -0.16 -1.17 119.26 121.45 1wsj h ALA 137 Ca 0.21 -0.12 -0.01 0.00 0.00 0.00 0.00 54.91 54.99 1wsj h ALA 137 Cb 0.10 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.61 1wsj h ALA 137 CO -0.13 0.41 0.05 0.00 0.00 0.00 0.00 179.25 179.57 1wsj h ARG 138 N 0.94 0.18 -0.75 0.00 3.08 -0.01 -0.97 114.38 116.85 1wsj h ARG 138 Ca 0.24 -0.03 0.07 0.00 0.07 0.00 0.00 59.98 60.33 1wsj h ARG 138 Cb 0.07 -0.03 -0.06 0.00 0.08 0.00 0.00 29.97 30.02 1wsj h ARG 138 CO -0.04 0.27 0.43 0.00 -1.07 0.00 0.00 179.97 179.56 1wsj h ALA 139 N 0.90 1.02 -0.73 0.04 0.00 -0.97 -1.21 119.26 118.32 1wsj h ALA 139 Ca 0.04 0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.96 1wsj h ALA 139 Cb 0.15 -0.14 -0.04 0.00 0.00 0.00 0.00 17.79 17.76 1wsj h ALA 139 CO -0.00 0.10 0.44 0.00 0.00 0.00 0.00 179.25 179.79 1wsj h ALA 140 N 1.39 0.93 -0.57 0.00 0.00 -0.94 -2.48 119.26 117.58 1wsj h ALA 140 Ca 0.34 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 55.17 1wsj h ALA 140 Cb 0.23 -0.29 -0.03 0.00 0.00 0.00 0.00 17.79 17.70 1wsj h ALA 140 CO -0.20 0.40 0.36 0.00 0.00 0.00 0.00 179.25 179.80 1wsj h ALA 141 N 1.23 1.55 0.00 0.00 0.00 -0.00 -0.86 119.26 121.18 1wsj h ALA 141 Ca 0.26 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 55.11 1wsj h ALA 141 Cb -0.03 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 17.53 1wsj h ALA 141 CO -0.05 0.40 0.00 -1.33 0.00 0.00 0.00 179.25 178.27 1wsj n MET 142 N -4.43 0.54 -2.67 0.00 2.81 -0.80 -3.80 117.12 108.76 1wsj n MET 142 Ca 0.05 0.02 -0.09 0.00 -1.81 0.00 0.00 57.70 55.87 1wsj n MET 142 Cb 0.06 -1.50 0.04 0.00 -0.71 0.00 0.00 33.22 31.11 1wsj n MET 142 CO 0.00 0.00 0.00 -1.71 1.51 0.00 0.00 175.97 175.77 1wsj n ASN 143 N -1.21 1.28 -4.58 7.83 4.05 -0.37 -5.11 115.26 117.15 1wsj n ASN 143 Ca 0.16 -2.68 -0.38 0.00 0.45 0.00 0.00 54.58 52.13 1wsj n ASN 143 Cb 0.19 -0.45 0.05 0.00 1.23 0.00 0.00 39.78 40.80 1wsj n ASN 143 CO 0.00 0.00 0.00 -0.81 -3.05 0.00 0.00 177.26 173.40 1wsj n PRO 144 N -0.10 0.83 0.00 1.20 -0.04 -0.94 -4.72 135.00 131.22 1wsj n PRO 144 Ca 0.08 0.32 0.00 0.00 -0.04 0.00 0.00 63.50 63.86 1wsj n PRO 144 Cb 0.82 -2.04 0.00 0.00 -0.04 0.00 0.00 33.50 32.24 1wsj n PRO 144 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 1wsj n THR 145 N -1.64 0.00 -4.43 0.52 -2.24 -0.41 -4.89 114.28 101.19 1wsj n THR 145 Ca 0.13 0.00 -0.25 0.00 -2.27 0.00 0.00 64.05 61.65 1wsj n THR 145 Cb 0.47 1.05 -0.11 0.00 -2.10 0.00 0.00 70.33 69.64 1wsj n THR 145 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 1wsj s LEU 146 N 0.00 2.56 -0.27 3.22 1.43 -0.72 -4.99 118.68 119.92 1wsj s LEU 146 Ca 0.00 -0.92 -0.06 0.00 -1.03 0.00 0.00 54.13 52.12 1wsj s LEU 146 Cb 0.00 -1.19 -0.00 0.00 0.03 0.00 0.00 46.19 45.03 1wsj s LEU 146 CO 0.00 0.08 0.05 -0.70 0.23 0.00 0.00 176.35 176.01 1wsj s GLU 147 N -3.10 3.30 -0.90 1.70 2.56 -1.26 -0.86 118.70 120.14 1wsj s GLU 147 Ca 0.26 -0.71 -0.24 0.00 0.00 0.00 0.00 54.97 54.27 1wsj s GLU 147 Cb -0.07 -3.29 -0.03 0.00 2.00 0.00 0.00 34.13 32.74 1wsj s GLU 147 CO 0.13 -0.32 1.87 0.34 -0.56 0.00 0.00 175.26 176.72 1wsj s ASP 148 N 1.53 5.33 0.17 -1.70 3.68 -1.26 -4.79 116.67 119.63 1wsj s ASP 148 Ca 0.04 -0.72 0.11 0.00 2.13 0.00 0.00 52.55 54.11 1wsj s ASP 148 Cb -0.16 -2.56 0.58 0.00 -1.45 0.00 0.00 42.92 39.33 1wsj s ASP 148 CO 0.02 -2.56 1.30 0.41 0.13 0.00 0.00 175.17 174.47 1wsj n THR 149 N 7.70 1.37 -0.07 1.71 -1.04 -1.26 -2.43 114.28 120.27 1wsj n THR 149 Ca 0.38 0.63 -0.03 0.00 -2.04 0.00 0.00 64.05 62.99 1wsj n THR 149 Cb 0.48 -1.63 -0.16 0.00 -1.82 0.00 0.00 70.33 67.20 1wsj n THR 149 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1wsj n GLY 150 N -1.37 -1.01 3.56 3.41 0.00 -1.26 -4.99 105.19 103.53 1wsj n GLY 150 Ca -0.01 -0.38 -0.44 0.00 0.00 0.00 0.00 46.02 45.19 1wsj n GLY 150 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 1wsj n TYR 151 N -2.61 0.94 -4.42 1.61 -0.00 -1.02 -4.99 117.16 106.67 1wsj n TYR 151 Ca -0.23 0.70 -0.21 0.00 -0.00 0.00 0.00 57.90 58.16 1wsj n TYR 151 Cb 0.97 -2.20 -0.16 0.00 -0.00 0.00 0.00 39.34 37.95 1wsj n TYR 151 CO 0.00 0.00 0.00 -0.65 -0.00 0.00 0.00 176.86 176.21 1wsj s GLN 152 N -1.56 1.09 0.00 2.98 -0.21 -1.26 -5.09 119.66 115.61 1wsj s GLN 152 Ca 0.60 -0.31 0.00 0.00 0.02 0.00 0.00 55.36 55.67 1wsj s GLN 152 Cb -0.70 -1.00 0.00 0.00 1.00 0.00 0.00 33.01 32.32 1wsj s GLN 152 CO 0.59 0.09 0.49 0.28 -2.12 0.00 0.00 175.29 174.62