#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wsj s LEU 2 N 0.00 3.82 0.09 -0.89 1.43 -1.26 -5.02 118.68 116.84 1wsj s LEU 2 Ca 0.00 1.51 -0.30 0.00 -1.03 0.00 0.00 54.13 54.31 1wsj s LEU 2 Cb 0.00 -4.40 -0.06 0.00 0.03 0.00 0.00 46.19 41.77 1wsj s LEU 2 CO 0.00 -0.43 1.15 -0.54 0.23 0.00 0.00 176.35 176.76 1wsj s LYS 3 N -3.60 4.49 -0.39 1.70 1.02 -1.26 -4.74 119.74 116.96 1wsj s LYS 3 Ca 0.58 1.72 -0.16 0.00 0.02 0.00 0.00 55.97 58.13 1wsj s LYS 3 Cb -0.10 -3.34 0.01 0.00 -0.52 0.00 0.00 37.83 33.88 1wsj s LYS 3 CO 0.23 -0.15 0.38 -1.14 -0.92 0.00 0.00 175.35 173.75 1wsj s GLN 4 N 0.67 3.23 -0.00 1.68 0.74 -1.26 -1.21 119.66 123.52 1wsj s GLN 4 Ca 0.56 -0.70 0.00 0.00 0.05 0.00 0.00 55.36 55.27 1wsj s GLN 4 Cb -0.29 -3.91 -0.04 0.00 1.10 0.00 0.00 33.01 29.87 1wsj s GLN 4 CO 0.31 -0.72 0.05 0.08 -0.55 0.00 0.00 175.29 174.46 1wsj s VAL 5 N 2.01 4.53 -0.21 1.34 1.01 0.59 -4.76 120.40 124.91 1wsj s VAL 5 Ca 0.10 -0.49 -0.08 0.00 0.00 0.00 0.00 61.98 61.52 1wsj s VAL 5 Cb -0.17 -3.06 -0.04 0.00 0.00 0.00 0.00 36.38 33.11 1wsj s VAL 5 CO 0.12 0.35 0.09 -0.70 0.00 0.00 0.00 175.10 174.96 1wsj s GLU 6 N -1.70 3.93 -0.06 2.72 2.12 -0.29 -1.33 118.70 124.09 1wsj s GLU 6 Ca 0.22 -0.36 0.05 0.00 0.36 0.00 0.00 54.97 55.24 1wsj s GLU 6 Cb -0.12 -3.31 -0.00 0.00 0.26 0.00 0.00 34.13 30.95 1wsj s GLU 6 CO 0.13 0.12 -0.21 0.42 -0.54 0.00 0.00 175.26 175.19 1wsj s ILE 7 N 0.80 1.73 -0.03 -3.70 1.01 -0.34 -0.07 121.20 120.61 1wsj s ILE 7 Ca 0.05 -0.87 0.07 0.00 0.00 0.00 0.00 60.65 59.90 1wsj s ILE 7 Cb -0.13 -1.49 -0.02 0.00 0.01 0.00 0.00 42.46 40.83 1wsj s ILE 7 CO 0.02 0.49 -0.24 -0.36 0.00 0.00 0.00 174.94 174.85 1wsj s PHE 8 N 0.10 2.23 0.04 3.97 0.08 -0.08 0.20 117.98 124.52 1wsj s PHE 8 Ca -0.08 -0.48 -0.08 0.00 0.12 0.00 0.00 56.93 56.41 1wsj s PHE 8 Cb -0.14 -1.44 0.00 0.00 -0.57 0.00 0.00 43.02 40.87 1wsj s PHE 8 CO 0.04 -0.08 0.17 0.95 -0.10 0.00 0.00 175.22 176.21 1wsj s THR 9 N -0.48 0.11 -0.13 0.64 -4.23 -0.91 -1.11 115.64 109.52 1wsj s THR 9 Ca 0.07 -0.92 -0.30 0.00 -1.18 0.00 0.00 61.69 59.36 1wsj s THR 9 Cb -0.10 -0.87 0.10 0.00 1.34 0.00 0.00 72.50 72.97 1wsj s THR 9 CO 0.00 -0.51 0.87 -1.81 -0.54 0.00 0.00 174.62 172.63 1wsj s ASP 10 N -2.03 -0.50 0.17 3.99 1.01 -0.65 -4.43 116.67 114.22 1wsj s ASP 10 Ca -0.06 0.61 0.09 0.00 0.71 0.00 0.00 52.55 53.90 1wsj s ASP 10 Cb -0.02 0.49 -0.04 0.00 1.01 0.00 0.00 42.92 44.37 1wsj s ASP 10 CO -0.04 -0.42 -0.19 -0.83 0.21 0.00 0.00 175.17 173.90 1wsj s GLY 11 N -0.96 1.44 -0.03 0.21 0.00 -1.26 -1.09 107.32 105.63 1wsj s GLY 11 Ca -0.05 -1.51 -0.08 0.00 0.00 0.00 0.00 44.72 43.09 1wsj s GLY 11 CO 0.04 -1.55 0.18 -0.45 0.00 0.00 0.00 173.10 171.32 1wsj s SER 12 N -2.64 -0.10 -0.14 1.64 0.15 -0.11 -4.80 113.70 107.71 1wsj s SER 12 Ca 0.16 0.09 -0.10 0.00 0.70 0.00 0.00 55.95 56.80 1wsj s SER 12 Cb -0.06 0.31 0.04 0.00 -1.71 0.00 0.00 66.02 64.59 1wsj s SER 12 CO 0.07 -0.25 0.35 0.00 1.20 0.00 0.00 173.24 174.61 1wsj n LEU 14 N 3.43 6.88 0.00 0.00 4.77 0.11 -4.85 117.00 127.34 1wsj n LEU 14 Ca -0.17 -4.54 0.00 0.00 -0.03 0.00 0.00 56.01 51.27 1wsj n LEU 14 Cb 0.56 -1.51 0.00 0.00 -2.33 0.00 0.00 43.42 40.14 1wsj n LEU 14 CO 0.13 1.39 0.00 0.61 -1.33 0.00 0.00 177.39 178.19 1wsj n GLY 15 N 3.05 2.67 3.08 -0.72 0.00 -1.26 -4.27 105.19 107.74 1wsj n GLY 15 Ca 0.45 -1.85 -0.35 0.00 0.00 0.00 0.00 46.02 44.28 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 0.00 5.10 0.53 1.61 2.47 -1.26 -2.81 114.94 120.58 1wsj s ASN 16 Ca 0.00 -2.42 0.00 0.00 0.42 0.00 0.00 52.86 50.86 1wsj s ASN 16 Cb 0.00 -1.80 0.00 0.00 -1.45 0.00 0.00 41.25 38.00 1wsj s ASN 16 CO 0.00 -0.44 0.00 -0.81 -3.72 0.00 0.00 177.10 172.13 1wsj n PRO 17 N 4.03 0.61 -3.05 0.43 -0.04 -1.26 -5.14 135.00 130.59 1wsj n PRO 17 Ca 0.03 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.49 1wsj n PRO 17 Cb 0.39 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.85 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 -1.66 3.75 0.55 0.00 0.20 -4.90 105.19 108.13 1wsj n GLY 18 Ca 0.00 -1.45 -0.41 0.00 0.00 0.00 0.00 46.02 44.15 1wsj n GLY 18 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 1wsj s PRO 19 N -1.83 4.16 0.26 1.61 0.02 -0.92 -0.34 135.00 137.96 1wsj s PRO 19 Ca 0.00 2.50 -0.06 0.00 0.02 0.00 0.00 61.00 63.46 1wsj s PRO 19 Cb 0.00 -3.04 -0.02 0.00 0.02 0.00 0.00 34.50 31.47 1wsj s PRO 19 CO 0.00 -0.55 0.36 0.20 -0.33 0.00 0.00 177.00 176.67 1wsj s GLY 20 N 0.33 1.13 0.24 0.52 0.00 0.04 -0.71 107.32 108.87 1wsj s GLY 20 Ca 0.60 -1.35 -0.22 0.00 0.00 0.00 0.00 44.72 43.76 1wsj s GLY 20 CO 0.49 -1.00 0.71 -0.32 0.00 0.00 0.00 173.10 172.98 1wsj s GLY 21 N -3.13 -0.22 0.19 0.20 0.00 -0.01 0.10 107.32 104.46 1wsj s GLY 21 Ca 0.30 -0.10 0.04 0.00 0.00 0.00 0.00 44.72 44.96 1wsj s GLY 21 CO 0.13 -0.03 -0.04 -2.52 0.00 0.00 0.00 173.10 170.65 1wsj s TYR 22 N -3.84 1.41 -0.05 1.90 -0.85 -0.83 -0.93 117.35 114.15 1wsj s TYR 22 Ca 0.09 -0.88 -0.04 0.00 -0.52 0.00 0.00 57.07 55.72 1wsj s TYR 22 Cb -0.05 -0.78 0.02 0.00 0.38 0.00 0.00 41.96 41.53 1wsj s TYR 22 CO 0.02 -0.02 0.13 0.20 -1.52 0.00 0.00 175.55 174.36 1wsj s GLY 23 N -3.24 -0.09 -0.08 5.49 0.00 -0.25 -3.04 107.32 106.11 1wsj s GLY 23 Ca 0.24 0.41 -0.09 0.00 0.00 0.00 0.00 44.72 45.28 1wsj s GLY 23 CO 0.05 0.42 0.25 0.00 0.00 0.00 0.00 173.10 173.82 1wsj s ALA 24 N 0.23 -0.63 -0.09 3.20 0.00 0.26 -1.64 121.76 123.09 1wsj s ALA 24 Ca -0.01 0.63 0.01 0.00 0.00 0.00 0.00 51.96 52.59 1wsj s ALA 24 Cb -0.02 -0.34 0.02 0.00 0.00 0.00 0.00 23.12 22.77 1wsj s ALA 24 CO -0.01 -0.14 -0.11 0.42 0.00 0.00 0.00 175.76 175.92 1wsj s ILE 25 N -0.10 1.17 -0.14 0.00 1.01 -0.27 -0.70 121.20 122.18 1wsj s ILE 25 Ca -0.02 -0.45 -0.02 0.00 0.00 0.00 0.00 60.65 60.16 1wsj s ILE 25 Cb -0.03 -1.11 -0.02 0.00 0.01 0.00 0.00 42.46 41.31 1wsj s ILE 25 CO 0.01 0.38 -0.06 -0.76 0.00 0.00 0.00 174.94 174.50 1wsj s LEU 26 N 1.10 3.11 -0.06 2.97 1.02 0.59 -0.90 118.68 126.49 1wsj s LEU 26 Ca -0.06 -0.17 0.04 0.00 0.02 0.00 0.00 54.13 53.96 1wsj s LEU 26 Cb -0.14 -1.73 0.00 0.00 0.02 0.00 0.00 46.19 44.34 1wsj s LEU 26 CO -0.02 0.19 -0.18 -0.60 0.02 0.00 0.00 176.35 175.76 1wsj s ARG 27 N 0.25 2.13 -0.07 1.70 3.52 0.90 -0.28 118.95 127.09 1wsj s ARG 27 Ca -0.05 -0.65 -0.03 0.00 -0.13 0.00 0.00 55.73 54.87 1wsj s ARG 27 Cb -0.14 -1.75 0.04 0.00 -1.56 0.00 0.00 34.95 31.54 1wsj s ARG 27 CO 0.04 0.19 0.11 -0.47 -0.81 0.00 0.00 175.30 174.36 1wsj s TYR 28 N 0.24 -0.04 -1.43 5.12 5.04 -0.06 -1.13 117.35 125.08 1wsj s TYR 28 Ca -0.10 0.36 -0.03 0.00 -2.44 0.00 0.00 57.07 54.87 1wsj s TYR 28 Cb -0.14 -0.40 0.00 0.00 0.35 0.00 0.00 41.96 41.77 1wsj s TYR 28 CO 0.04 -0.26 0.31 0.54 -1.34 0.00 0.00 175.55 174.85 1wsj n ARG 29 N 5.31 -2.26 0.00 4.97 1.74 -1.26 -0.60 116.66 124.55 1wsj n ARG 29 Ca -0.04 0.29 0.00 0.00 -0.77 0.00 0.00 57.85 57.33 1wsj n ARG 29 Cb 0.50 -4.10 0.00 0.00 -1.02 0.00 0.00 32.46 27.84 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 -2.17 1.95 3.76 -0.13 0.00 -1.26 -4.99 105.19 102.35 1wsj n GLY 30 Ca -0.30 -0.08 -0.41 0.00 0.00 0.00 0.00 46.02 45.24 1wsj n GLY 30 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1wsj s ARG 31 N 0.00 4.24 0.01 1.61 0.52 0.23 -5.02 118.95 120.54 1wsj s ARG 31 Ca 0.00 2.38 0.07 0.00 -0.52 0.00 0.00 55.73 57.66 1wsj s ARG 31 Cb 0.00 -3.04 -0.02 0.00 0.52 0.00 0.00 34.95 32.41 1wsj s ARG 31 CO 0.00 -0.39 -0.21 -2.00 0.02 0.00 0.00 175.30 172.72 1wsj s GLU 32 N -1.41 1.58 -0.04 3.54 2.12 -1.26 -0.89 118.70 122.33 1wsj s GLU 32 Ca 0.54 -0.84 0.03 0.00 0.36 0.00 0.00 54.97 55.06 1wsj s GLU 32 Cb -0.43 -1.60 0.00 0.00 0.26 0.00 0.00 34.13 32.36 1wsj s GLU 32 CO 0.53 0.43 -0.13 0.15 -0.54 0.00 0.00 175.26 175.70 1wsj s LYS 33 N -0.80 1.49 0.06 4.30 1.02 0.61 -4.98 119.74 121.45 1wsj s LYS 33 Ca 0.08 -0.44 0.08 0.00 0.02 0.00 0.00 55.97 55.71 1wsj s LYS 33 Cb -0.08 -1.29 -0.03 0.00 -0.52 0.00 0.00 37.83 35.90 1wsj s LYS 33 CO 0.00 0.13 -0.20 0.99 -0.92 0.00 0.00 175.35 175.35 1wsj s THR 34 N 0.30 2.67 -0.01 2.17 2.01 -1.26 -0.30 115.64 121.21 1wsj s THR 34 Ca -0.07 -1.33 -0.01 0.00 0.31 0.00 0.00 61.69 60.59 1wsj s THR 34 Cb -0.12 -2.14 0.00 0.00 0.01 0.00 0.00 72.50 70.26 1wsj s THR 34 CO 0.02 0.27 0.03 -0.36 -0.69 0.00 0.00 174.62 173.89 1wsj s PHE 35 N -0.96 -0.03 -0.16 4.92 0.08 0.13 -5.00 117.98 116.95 1wsj s PHE 35 Ca 0.15 0.09 -0.29 0.00 0.12 0.00 0.00 56.93 56.99 1wsj s PHE 35 Cb -0.10 -0.00 0.11 0.00 -0.57 0.00 0.00 43.02 42.46 1wsj s PHE 35 CO 0.06 -0.02 0.92 -1.54 -0.10 0.00 0.00 175.22 174.54 1wsj s SER 36 N 0.09 -0.46 -0.04 1.36 1.04 -1.26 -0.58 113.70 113.86 1wsj s SER 36 Ca -0.01 0.59 -0.29 0.00 0.48 0.00 0.00 55.95 56.72 1wsj s SER 36 Cb -0.01 0.49 0.09 0.00 0.10 0.00 0.00 66.02 66.69 1wsj s SER 36 CO -0.00 -0.36 0.79 0.00 0.98 0.00 0.00 173.24 174.64 1wsj s ALA 37 N -0.85 -1.79 0.21 5.32 0.00 -1.17 -4.98 121.76 118.49 1wsj s ALA 37 Ca -0.03 1.19 0.11 0.00 0.00 0.00 0.00 51.96 53.23 1wsj s ALA 37 Cb -0.01 0.04 -0.04 0.00 0.00 0.00 0.00 23.12 23.10 1wsj s ALA 37 CO 0.02 -0.48 -0.19 0.20 0.00 0.00 0.00 175.76 175.31 1wsj s GLY 38 N -1.68 1.74 -0.02 0.00 0.00 -1.26 -1.97 107.32 104.14 1wsj s GLY 38 Ca -0.03 -1.64 0.05 0.00 0.00 0.00 0.00 44.72 43.10 1wsj s GLY 38 CO 0.00 -1.67 -0.17 -0.19 0.00 0.00 0.00 173.10 171.07 1wsj s TYR 39 N -1.82 1.52 0.15 1.90 1.51 0.28 -1.39 117.35 119.50 1wsj s TYR 39 Ca 0.23 -0.31 -0.16 0.00 -1.01 0.00 0.00 57.07 55.83 1wsj s TYR 39 Cb -0.08 -0.98 0.02 0.00 -0.11 0.00 0.00 41.96 40.81 1wsj s TYR 39 CO 0.12 -0.04 1.81 1.79 -1.11 0.00 0.00 175.55 178.11 1wsj h THR 40 N 4.80 1.07 -3.26 -0.71 1.35 -1.57 0.15 112.91 114.74 1wsj h THR 40 Ca -0.36 -0.17 -0.50 0.00 -0.55 0.00 0.00 66.41 64.82 1wsj h THR 40 Cb 1.15 0.52 -0.40 0.00 -1.73 0.00 0.00 68.15 67.70 1wsj h THR 40 CO 0.48 0.09 -0.76 -0.60 -0.25 0.00 0.00 175.52 174.48 1wsj s ARG 41 N -6.16 0.62 0.00 4.72 3.52 -1.26 -2.16 118.95 118.23 1wsj s ARG 41 Ca -0.13 -0.34 0.00 0.00 -0.13 0.00 0.00 55.73 55.13 1wsj s ARG 41 Cb 0.11 -1.96 0.00 0.00 -1.56 0.00 0.00 34.95 31.54 1wsj s ARG 41 CO 0.72 -0.60 0.00 -2.37 -0.81 0.00 0.00 175.30 172.24 1wsj n THR 42 N 5.07 0.00 -4.21 4.11 5.66 0.54 -4.16 114.28 121.29 1wsj n THR 42 Ca -0.09 0.00 -0.14 0.00 -3.05 0.00 0.00 64.05 60.78 1wsj n THR 42 Cb 0.48 0.00 -0.10 0.00 -1.55 0.00 0.00 70.33 69.15 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 -2.93 0.99 0.10 1.09 -4.23 -1.26 -0.63 115.64 108.78 1wsj s THR 43 Ca 0.00 -1.87 -0.30 0.00 -1.18 0.00 0.00 61.69 58.34 1wsj s THR 43 Cb 0.00 -1.62 -0.12 0.00 1.34 0.00 0.00 72.50 72.10 1wsj s THR 43 CO 0.00 -0.69 1.62 -1.13 -0.54 0.00 0.00 174.62 173.87 1wsj h ASN 44 N 3.13 -0.92 -1.00 3.99 -1.24 -1.86 -0.81 115.58 116.87 1wsj h ASN 44 Ca -0.37 0.09 0.18 0.00 0.71 0.00 0.00 56.30 56.91 1wsj h ASN 44 Cb 1.19 0.32 -0.10 0.00 0.73 0.00 0.00 38.32 40.46 1wsj h ASN 44 CO 0.59 -0.46 0.62 0.78 -1.29 0.00 0.00 177.43 177.67 1wsj h ASN 45 N -0.66 0.79 0.12 1.15 4.21 -1.97 0.18 115.58 119.40 1wsj h ASN 45 Ca -0.01 0.09 -0.12 0.00 1.21 0.00 0.00 56.30 57.47 1wsj h ASN 45 Cb 0.62 -0.06 -0.01 0.00 -1.12 0.00 0.00 38.32 37.75 1wsj h ASN 45 CO -0.10 0.30 -0.42 0.03 -1.29 0.00 0.00 177.43 175.96 1wsj h ARG 46 N 0.78 0.38 0.00 0.81 3.08 -1.83 -2.71 114.38 114.90 1wsj h ARG 46 Ca 0.56 -0.19 -0.12 0.00 0.07 0.00 0.00 59.98 60.30 1wsj h ARG 46 Cb 0.85 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.89 1wsj h ARG 46 CO -0.35 0.74 -0.58 0.52 -1.07 0.00 0.00 179.97 179.23 1wsj h MET 47 N 0.32 0.00 -0.21 0.04 2.86 0.66 -1.13 114.93 117.47 1wsj h MET 47 Ca 0.03 0.00 -0.11 0.00 -2.06 0.00 0.00 59.70 57.56 1wsj h MET 47 Cb 0.87 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.52 1wsj h MET 47 CO 0.07 0.58 -0.35 0.93 1.06 0.00 0.00 176.91 179.20 1wsj h GLU 48 N 0.00 0.44 0.01 1.72 5.08 -0.53 -2.13 114.58 119.17 1wsj h GLU 48 Ca -0.01 -0.20 -0.14 0.00 -1.00 0.00 0.00 59.36 58.01 1wsj h GLU 48 Cb 1.02 -0.01 0.01 0.00 0.50 0.00 0.00 28.75 30.28 1wsj h GLU 48 CO 0.08 0.73 -0.56 -0.07 -1.00 0.00 0.00 179.01 178.19 1wsj h LEU 49 N 0.37 0.48 -0.84 1.33 3.38 -1.26 -3.31 115.31 115.47 1wsj h LEU 49 Ca 0.04 -0.78 0.08 0.00 0.09 0.00 0.00 57.88 57.31 1wsj h LEU 49 Cb 0.79 -0.15 -0.07 0.00 0.09 0.00 0.00 40.66 41.33 1wsj h LEU 49 CO 0.06 1.20 0.50 -0.03 0.09 0.00 0.00 178.44 180.26 1wsj h MET 50 N -0.18 0.86 -0.50 1.13 4.05 -1.13 0.20 114.93 119.35 1wsj h MET 50 Ca -0.07 -0.05 0.07 0.00 -0.28 0.00 0.00 59.70 59.36 1wsj h MET 50 Cb 1.29 -0.19 -0.06 0.00 -0.80 0.00 0.00 31.60 31.84 1wsj h MET 50 CO 0.11 0.57 0.19 0.00 0.23 0.00 0.00 176.91 178.01 1wsj h ALA 51 N 1.43 0.62 -0.33 0.39 0.00 -1.48 0.35 119.26 120.24 1wsj h ALA 51 Ca 0.38 0.06 -0.13 0.00 0.00 0.00 0.00 54.91 55.22 1wsj h ALA 51 Cb 0.26 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.07 1wsj h ALA 51 CO -0.21 -0.20 -0.30 0.00 0.00 0.00 0.00 179.25 178.55 1wsj h ALA 52 N 1.33 0.48 0.21 0.00 0.00 -1.52 -1.82 119.26 117.94 1wsj h ALA 52 Ca 0.24 -0.41 -0.00 0.00 0.00 0.00 0.00 54.91 54.74 1wsj h ALA 52 Cb 0.25 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.93 1wsj h ALA 52 CO -0.24 0.51 -0.14 0.82 0.00 0.00 0.00 179.25 180.20 1wsj h ILE 53 N 0.56 0.70 -0.63 0.00 2.04 -0.15 -0.22 117.51 119.81 1wsj h ILE 53 Ca 0.06 0.00 -0.04 0.00 1.00 0.00 0.00 64.86 65.87 1wsj h ILE 53 Cb 0.87 0.70 -0.03 0.00 -0.74 0.00 0.00 36.82 37.62 1wsj h ILE 53 CO 0.08 0.00 0.23 0.58 0.00 0.00 0.00 178.15 179.03 1wsj h VAL 54 N -0.34 1.24 -0.12 1.67 2.07 -0.37 -0.20 116.25 120.19 1wsj h VAL 54 Ca -0.02 -0.79 0.02 0.00 0.82 0.00 0.00 66.70 66.73 1wsj h VAL 54 Cb 0.30 0.56 -0.02 0.00 -1.52 0.00 0.00 31.29 30.61 1wsj h VAL 54 CO 0.01 0.30 0.01 0.00 0.02 0.00 0.00 177.57 177.92 1wsj h ALA 55 N 1.09 0.11 -0.09 1.67 0.00 -1.18 -2.22 119.26 118.64 1wsj h ALA 55 Ca 0.21 0.03 -0.01 0.00 0.00 0.00 0.00 54.91 55.13 1wsj h ALA 55 Cb 0.25 0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.07 1wsj h ALA 55 CO -0.01 -0.44 0.01 -0.07 0.00 0.00 0.00 179.25 178.74 1wsj h LEU 56 N 0.06 0.15 -1.87 0.00 3.38 -0.76 -2.69 115.31 113.59 1wsj h LEU 56 Ca 0.05 -0.27 0.00 0.00 0.09 0.00 0.00 57.88 57.75 1wsj h LEU 56 Cb 0.05 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 40.76 1wsj h LEU 56 CO -0.08 0.38 0.00 -0.33 0.09 0.00 0.00 178.44 178.50 1wsj h GLU 57 N -0.08 0.00 0.00 1.13 5.08 -0.96 -0.42 114.58 119.32 1wsj h GLU 57 Ca 0.03 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.39 1wsj h GLU 57 Cb 0.30 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.55 1wsj h GLU 57 CO 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 179.01 178.01 1wsj h ALA 58 N 2.02 1.00 -2.43 3.43 0.00 -1.04 -3.42 119.26 118.82 1wsj h ALA 58 Ca 0.00 0.00 -0.56 0.00 0.00 0.00 0.00 54.91 54.35 1wsj h ALA 58 Cb 0.05 0.00 -0.05 0.00 0.00 0.00 0.00 17.79 17.79 1wsj h ALA 58 CO 0.00 0.00 0.36 -0.51 0.00 0.00 0.00 179.25 179.10 1wsj s LEU 59 N -5.24 4.27 0.11 0.00 1.43 -0.17 -4.94 118.68 114.14 1wsj s LEU 59 Ca 0.04 1.38 0.23 0.00 -1.03 0.00 0.00 54.13 54.75 1wsj s LEU 59 Cb 0.09 -3.36 0.13 0.00 0.03 0.00 0.00 46.19 43.09 1wsj s LEU 59 CO 0.50 -0.32 1.12 0.29 0.23 0.00 0.00 176.35 178.17 1wsj n LYS 60 N 4.54 0.37 -4.27 1.70 4.76 -1.26 -4.93 118.16 119.07 1wsj n LYS 60 Ca 0.05 0.05 -0.15 0.00 -2.87 0.00 0.00 58.31 55.39 1wsj n LYS 60 Cb 0.50 -1.68 -0.10 0.00 -1.84 0.00 0.00 35.03 31.91 1wsj n LYS 60 CO 0.00 0.00 0.00 -1.83 -1.37 0.00 0.00 177.40 174.20 1wsj s GLU 61 N -3.23 1.13 0.22 1.97 -1.05 -1.26 -5.11 118.70 111.37 1wsj s GLU 61 Ca 0.03 -1.51 -0.31 0.00 -0.15 0.00 0.00 54.97 53.03 1wsj s GLU 61 Cb 0.13 -0.65 -0.11 0.00 -0.44 0.00 0.00 34.13 33.05 1wsj s GLU 61 CO 0.77 0.05 1.66 -1.01 0.95 0.00 0.00 175.26 177.68 1wsj s HIS 62 N -3.32 2.90 0.14 4.83 3.76 -1.26 -4.99 115.29 117.35 1wsj s HIS 62 Ca 0.19 0.51 0.01 0.00 -0.15 0.00 0.00 55.06 55.63 1wsj s HIS 62 Cb 0.03 -4.08 -0.04 0.00 1.11 0.00 0.00 32.58 29.60 1wsj s HIS 62 CO 0.03 -3.95 0.00 0.00 -0.85 0.00 0.00 174.74 169.97 1wsj s GLU 64 N -3.93 4.05 -0.08 0.00 2.02 -0.35 -1.33 118.70 119.07 1wsj s GLU 64 Ca 0.21 0.20 0.03 0.00 0.02 0.00 0.00 54.97 55.43 1wsj s GLU 64 Cb 0.06 -3.65 -0.02 0.00 0.10 0.00 0.00 34.13 30.63 1wsj s GLU 64 CO 0.01 -0.31 -0.18 0.08 0.02 0.00 0.00 175.26 174.88 1wsj s VAL 65 N 2.17 2.65 -0.40 2.63 1.01 0.89 -0.30 120.40 129.06 1wsj s VAL 65 Ca 0.18 -0.84 -0.04 0.00 0.00 0.00 0.00 61.98 61.28 1wsj s VAL 65 Cb -0.16 -2.04 0.10 0.00 0.00 0.00 0.00 36.38 34.28 1wsj s VAL 65 CO 0.09 0.56 0.20 -0.51 0.00 0.00 0.00 175.10 175.45 1wsj s ILE 66 N -0.12 3.45 -0.45 2.22 1.10 -0.44 -0.44 121.20 126.52 1wsj s ILE 66 Ca -0.03 -1.88 -0.22 0.00 -0.51 0.00 0.00 60.65 58.01 1wsj s ILE 66 Cb -0.14 -3.28 0.03 0.00 0.15 0.00 0.00 42.46 39.22 1wsj s ILE 66 CO 0.04 -0.61 0.74 -0.76 -2.11 0.00 0.00 174.94 172.24 1wsj s LEU 67 N 1.21 4.33 -0.21 8.50 1.43 -0.20 -1.19 118.68 132.54 1wsj s LEU 67 Ca 0.06 -0.18 -0.07 0.00 -1.03 0.00 0.00 54.13 52.91 1wsj s LEU 67 Cb -0.23 -2.89 -0.03 0.00 0.03 0.00 0.00 46.19 43.07 1wsj s LEU 67 CO -0.03 -0.88 0.05 -0.55 0.23 0.00 0.00 176.35 175.17 1wsj s SER 68 N 2.10 5.23 -0.12 2.29 0.15 0.13 -0.33 113.70 123.15 1wsj s SER 68 Ca 0.28 -0.11 -0.24 0.00 0.70 0.00 0.00 55.95 56.58 1wsj s SER 68 Cb -0.13 -1.91 0.06 0.00 -1.71 0.00 0.00 66.02 62.33 1wsj s SER 68 CO 0.22 0.06 0.59 0.28 1.20 0.00 0.00 173.24 175.59 1wsj s THR 69 N 1.05 0.01 -0.27 6.45 -1.32 -0.83 -2.15 115.64 118.58 1wsj s THR 69 Ca 0.04 -0.08 0.15 0.00 -1.21 0.00 0.00 61.69 60.59 1wsj s THR 69 Cb -0.14 -0.87 0.72 0.00 -1.51 0.00 0.00 72.50 70.70 1wsj s THR 69 CO 0.03 -0.04 1.64 -0.90 -2.21 0.00 0.00 174.62 173.13 1wsj n ASP 70 N 1.79 5.08 -4.59 8.08 5.68 -1.26 -0.93 116.55 130.40 1wsj n ASP 70 Ca -0.17 -2.93 -0.43 0.00 -0.50 0.00 0.00 54.79 50.76 1wsj n ASP 70 Cb 0.56 -0.63 -0.02 0.00 -1.14 0.00 0.00 41.12 39.89 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 -1.17 6.42 0.36 -1.12 0.15 -1.26 -4.90 113.70 112.17 1wsj s SER 71 Ca 0.50 0.46 0.04 0.00 0.70 0.00 0.00 55.95 57.66 1wsj s SER 71 Cb 0.39 -2.55 0.68 0.00 -1.71 0.00 0.00 66.02 62.83 1wsj s SER 71 CO 0.14 -1.44 1.95 -0.61 1.20 0.00 0.00 173.24 174.49 1wsj h GLN 72 N 10.05 0.60 0.23 5.44 4.15 -1.96 -2.05 115.11 131.58 1wsj h GLN 72 Ca -0.25 -0.08 -0.01 0.00 0.77 0.00 0.00 58.65 59.08 1wsj h GLN 72 Cb 1.08 -0.11 0.00 0.00 0.21 0.00 0.00 27.48 28.66 1wsj h GLN 72 CO 1.14 0.50 -0.11 -0.92 -1.93 0.00 0.00 178.83 177.51 1wsj h TYR 73 N 0.60 -0.29 -0.45 3.99 3.20 -1.97 0.21 116.97 122.25 1wsj h TYR 73 Ca 0.15 -0.01 0.06 0.00 3.14 0.00 0.00 58.73 62.07 1wsj h TYR 73 Cb 0.13 0.10 -0.05 0.00 1.54 0.00 0.00 36.73 38.44 1wsj h TYR 73 CO 0.01 0.00 0.16 0.28 -1.64 0.00 0.00 178.16 176.97 1wsj h VAL 74 N -0.58 0.85 0.38 1.81 2.07 -1.90 0.15 116.25 119.03 1wsj h VAL 74 Ca -0.03 -0.11 -0.01 0.00 0.82 0.00 0.00 66.70 67.37 1wsj h VAL 74 Cb 0.42 0.49 -0.01 0.00 -1.52 0.00 0.00 31.29 30.67 1wsj h VAL 74 CO 0.05 0.06 -0.31 -0.09 0.02 0.00 0.00 177.57 177.31 1wsj h ARG 75 N 0.33 -0.67 -0.58 1.57 2.43 -1.26 0.15 114.38 116.35 1wsj h ARG 75 Ca 0.21 0.05 0.10 0.00 -0.81 0.00 0.00 59.98 59.53 1wsj h ARG 75 Cb 0.21 0.15 -0.08 0.00 -0.42 0.00 0.00 29.97 29.84 1wsj h ARG 75 CO -0.22 -0.44 0.15 1.96 -1.51 0.00 0.00 179.97 179.91 1wsj h GLN 76 N -0.69 0.29 -0.46 0.20 4.20 -0.13 0.97 115.11 119.49 1wsj h GLN 76 Ca -0.03 -0.02 -0.08 0.00 0.06 0.00 0.00 58.65 58.58 1wsj h GLN 76 Cb 0.60 -0.07 -0.02 0.00 0.30 0.00 0.00 27.48 28.30 1wsj h GLN 76 CO -0.01 0.19 -0.03 0.78 -0.67 0.00 0.00 178.83 179.09 1wsj h GLY 77 N 0.30 0.89 1.28 3.46 0.00 -0.45 0.17 103.07 108.72 1wsj h GLY 77 Ca 0.30 -0.68 -0.17 0.00 0.00 0.00 0.00 47.33 46.77 1wsj h GLY 77 CO -0.35 0.62 -0.53 -2.22 0.00 0.00 0.00 176.54 174.06 1wsj h ILE 78 N 0.67 1.29 0.00 2.60 1.08 -0.24 0.44 117.51 123.35 1wsj h ILE 78 Ca 0.13 -1.74 0.00 0.00 -0.39 0.00 0.00 64.86 62.86 1wsj h ILE 78 Cb 0.54 1.65 0.00 0.00 -3.07 0.00 0.00 36.82 35.94 1wsj h ILE 78 CO 0.03 0.56 -1.26 0.35 -0.69 0.00 0.00 178.15 177.14 1wsj n THR 79 N -3.99 0.19 0.00 -0.27 -2.24 0.29 -4.57 114.28 103.70 1wsj n THR 79 Ca -0.04 -0.34 0.00 0.00 -2.27 0.00 0.00 64.05 61.40 1wsj n THR 79 Cb 0.61 0.12 0.00 0.00 -2.10 0.00 0.00 70.33 68.96 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 -2.12 2.82 0.00 -0.78 6.02 0.60 -4.96 117.38 118.96 1wsj n GLN 80 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.99 1wsj n GLN 80 Cb 0.48 -0.70 0.00 0.00 1.02 0.00 0.00 30.24 31.04 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 -0.98 0.00 -0.40 1.08 8.01 -0.94 -4.82 117.44 119.38 1wsj n TRP 81 Ca 0.00 0.00 0.35 0.00 -1.31 0.00 0.00 57.50 56.54 1wsj n TRP 81 Cb 0.00 0.00 0.67 0.00 -2.01 0.00 0.00 31.31 29.97 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 0.32 0.45 -0.99 6.09 -0.39 -1.95 117.51 121.04 1wsj h ILE 82 Ca 0.00 -0.04 -0.02 0.00 -1.37 0.00 0.00 64.86 63.43 1wsj h ILE 82 Cb 0.76 0.18 0.00 0.00 0.47 0.00 0.00 36.82 38.23 1wsj h ILE 82 CO 0.00 0.02 -0.22 -0.74 -3.07 0.00 0.00 178.15 174.15 1wsj h HIS 83 N 0.12 -0.56 -0.13 2.19 2.76 -1.86 -2.93 115.15 114.75 1wsj h HIS 83 Ca 0.68 -0.01 -0.09 0.00 -2.20 0.00 0.00 60.37 58.75 1wsj h HIS 83 Cb 2.35 0.19 -0.01 0.00 1.55 0.00 0.00 27.41 31.48 1wsj h HIS 83 CO -0.00 -0.26 -0.34 -0.91 -1.30 0.00 0.00 177.93 175.12 1wsj h ASN 84 N -0.79 0.26 -0.76 3.26 2.35 -1.71 -3.04 115.58 115.15 1wsj h ASN 84 Ca -0.06 -0.09 -0.01 0.00 -0.55 0.00 0.00 56.30 55.58 1wsj h ASN 84 Cb 0.55 -0.07 -0.04 0.00 0.05 0.00 0.00 38.32 38.81 1wsj h ASN 84 CO 0.10 0.59 0.44 -0.50 -1.65 0.00 0.00 177.43 176.41 1wsj h TRP 85 N 0.22 1.02 0.00 1.19 6.55 -1.42 -0.48 115.95 123.03 1wsj h TRP 85 Ca 0.03 -0.01 0.00 0.00 0.95 0.00 0.00 58.89 59.85 1wsj h TRP 85 Cb 0.71 -0.33 0.00 0.00 -0.86 0.00 0.00 29.16 28.68 1wsj h TRP 85 CO 0.01 0.70 0.00 0.87 -1.05 0.00 0.00 178.44 178.97 1wsj h LYS 86 N 1.04 0.00 0.00 0.49 1.57 -1.45 0.68 116.57 118.91 1wsj h LYS 86 Ca 0.27 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.05 1wsj h LYS 86 Cb -0.00 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.31 1wsj h LYS 86 CO -0.05 0.00 -0.75 0.00 -0.57 0.00 0.00 179.45 178.08 1wsj n ALA 87 N -1.97 3.20 -1.96 3.86 0.00 -0.62 -4.05 120.51 118.97 1wsj n ALA 87 Ca 0.02 -0.32 -0.21 0.00 0.00 0.00 0.00 53.44 52.93 1wsj n ALA 87 Cb 0.34 -1.09 0.04 0.00 0.00 0.00 0.00 19.45 18.74 1wsj n ALA 87 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1wsj n ARG 88 N -1.96 3.38 -1.58 0.00 1.74 -0.28 -4.93 116.66 113.02 1wsj n ARG 88 Ca 0.03 -4.06 -0.09 0.00 -0.77 0.00 0.00 57.85 52.97 1wsj n ARG 88 Cb 0.42 -2.21 -0.03 0.00 -1.02 0.00 0.00 32.46 29.62 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 -0.76 0.46 1.41 -0.13 0.00 -1.18 0.51 105.19 105.51 1wsj n GLY 89 Ca 0.42 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.44 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 -2.00 0.00 -5.23 1.61 7.02 0.24 -5.02 117.44 114.06 1wsj n TRP 90 Ca -0.09 0.00 -0.31 0.00 -1.02 0.00 0.00 57.50 56.08 1wsj n TRP 90 Cb 0.37 -0.93 -0.16 0.00 -2.42 0.00 0.00 31.31 28.17 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 -4.65 2.14 0.26 -0.99 3.01 0.18 -3.11 119.74 116.58 1wsj s LYS 91 Ca 0.00 -0.91 -0.04 0.00 -1.01 0.00 0.00 55.97 54.01 1wsj s LYS 91 Cb 0.00 -2.08 0.06 0.00 -1.01 0.00 0.00 37.83 34.81 1wsj s LYS 91 CO 0.00 0.56 0.15 0.25 0.51 0.00 0.00 175.35 176.82 1wsj n THR 92 N 2.37 0.00 -0.29 2.17 -2.24 0.27 -4.71 114.28 111.85 1wsj n THR 92 Ca -0.16 0.00 0.34 0.00 -2.27 0.00 0.00 64.05 61.96 1wsj n THR 92 Cb 0.51 -0.17 0.75 0.00 -2.10 0.00 0.00 70.33 69.32 1wsj n THR 92 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1wsj h ALA 93 N -2.16 3.07 -3.00 6.98 0.00 -1.98 -3.35 119.26 118.81 1wsj h ALA 93 Ca -0.07 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.80 1wsj h ALA 93 Cb 0.22 0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.10 1wsj h ALA 93 CO 0.04 -1.39 0.00 -0.40 0.00 0.00 0.00 179.25 177.50 1wsj n ASP 94 N -4.20 0.00 0.00 0.00 3.85 -1.26 -5.03 116.55 109.91 1wsj n ASP 94 Ca 0.24 0.00 0.00 0.00 -0.71 0.00 0.00 54.79 54.32 1wsj n ASP 94 Cb 1.18 0.00 0.00 0.00 -1.35 0.00 0.00 41.12 40.95 1wsj n ASP 94 CO 0.00 0.00 0.00 0.29 -1.01 0.00 0.00 177.20 176.48 1wsj n LYS 95 N 0.00 0.00 -2.28 0.11 4.76 -1.26 -5.02 118.16 114.47 1wsj n LYS 95 Ca 0.00 -0.08 -0.38 0.00 -2.87 0.00 0.00 58.31 54.98 1wsj n LYS 95 Cb 0.00 -0.28 -0.02 0.00 -1.84 0.00 0.00 35.03 32.90 1wsj n LYS 95 CO 0.00 0.00 0.00 0.15 -1.37 0.00 0.00 177.40 176.18 1wsj s LYS 96 N 0.00 3.92 0.87 1.97 1.02 -1.26 -4.64 119.74 121.62 1wsj s LYS 96 Ca 0.00 1.80 -0.11 0.00 0.02 0.00 0.00 55.97 57.68 1wsj s LYS 96 Cb 0.00 -2.55 0.12 0.00 -0.52 0.00 0.00 37.83 34.89 1wsj s LYS 96 CO 0.00 -0.42 1.16 -2.14 -0.92 0.00 0.00 175.35 173.03 1wsj s PRO 97 N -2.49 1.27 -0.01 -1.68 0.02 -1.26 0.96 135.00 131.81 1wsj s PRO 97 Ca 0.60 1.60 -0.12 0.00 0.02 0.00 0.00 61.00 63.11 1wsj s PRO 97 Cb -0.29 -1.75 -0.05 0.00 0.02 0.00 0.00 34.50 32.42 1wsj s PRO 97 CO 0.36 -2.46 0.34 0.14 -0.33 0.00 0.00 177.00 175.06 1wsj s VAL 98 N -2.49 5.16 0.22 3.83 -7.23 -1.18 -4.53 120.40 114.16 1wsj s VAL 98 Ca 0.69 0.59 -0.32 0.00 -1.81 0.00 0.00 61.98 61.13 1wsj s VAL 98 Cb -0.24 -3.63 -0.11 0.00 0.56 0.00 0.00 36.38 32.95 1wsj s VAL 98 CO 0.55 0.51 1.67 -0.54 -0.31 0.00 0.00 175.10 176.99 1wsj s LYS 99 N -1.28 4.14 -1.53 4.82 1.02 -1.26 -2.10 119.74 123.54 1wsj s LYS 99 Ca 0.24 2.56 -0.05 0.00 0.02 0.00 0.00 55.97 58.74 1wsj s LYS 99 Cb -0.15 -3.08 0.01 0.00 -0.52 0.00 0.00 37.83 34.09 1wsj s LYS 99 CO 0.13 -0.70 0.56 0.09 -0.92 0.00 0.00 175.35 174.50 1wsj n ASN 100 N 3.67 -5.80 0.23 2.83 3.02 -1.26 -4.86 115.26 113.09 1wsj n ASN 100 Ca 0.14 -0.28 0.07 0.00 -0.03 0.00 0.00 54.58 54.48 1wsj n ASN 100 Cb 0.36 -4.70 0.57 0.00 -0.61 0.00 0.00 39.78 35.40 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 -1.26 1.06 -0.32 2.41 3.04 -1.84 -0.15 116.25 119.19 1wsj h VAL 101 Ca -0.51 -0.26 -0.02 0.00 -1.01 0.00 0.00 66.70 64.90 1wsj h VAL 101 Cb 1.36 1.10 -0.01 0.00 -2.01 0.00 0.00 31.29 31.72 1wsj h VAL 101 CO 0.56 0.08 0.13 -2.24 -1.01 0.00 0.00 177.57 175.10 1wsj h ASP 102 N 0.04 0.44 -0.01 3.17 2.03 -1.89 -1.15 116.42 119.06 1wsj h ASP 102 Ca 0.01 -0.16 -0.22 0.00 -0.73 0.00 0.00 57.03 55.94 1wsj h ASP 102 Cb 0.12 -0.11 0.01 0.00 -0.83 0.00 0.00 39.33 38.51 1wsj h ASP 102 CO 0.01 0.48 -0.79 -0.07 -1.03 0.00 0.00 179.24 177.83 1wsj h LEU 103 N 0.37 0.80 -1.19 0.15 3.38 -1.79 -2.61 115.31 114.43 1wsj h LEU 103 Ca 0.11 -0.54 -0.01 0.00 0.09 0.00 0.00 57.88 57.53 1wsj h LEU 103 Cb 0.17 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 40.65 1wsj h LEU 103 CO -0.01 1.32 0.37 -0.50 0.09 0.00 0.00 178.44 179.71 1wsj h TRP 104 N 0.45 0.91 -0.05 1.13 4.06 -0.94 0.12 115.95 121.63 1wsj h TRP 104 Ca -0.05 -0.01 -0.14 0.00 2.06 0.00 0.00 58.89 60.74 1wsj h TRP 104 Cb 1.41 -0.29 -0.01 0.00 -1.00 0.00 0.00 29.16 29.26 1wsj h TRP 104 CO 0.08 0.63 -0.62 1.96 -3.56 0.00 0.00 178.44 176.93 1wsj h GLN 105 N 0.94 0.17 -0.13 0.49 4.20 -1.19 -0.39 115.11 119.21 1wsj h GLN 105 Ca 0.24 -0.12 -0.20 0.00 0.06 0.00 0.00 58.65 58.63 1wsj h GLN 105 Cb 0.02 0.02 0.00 0.00 0.30 0.00 0.00 27.48 27.82 1wsj h GLN 105 CO -0.04 0.73 -0.72 -0.09 -0.67 0.00 0.00 178.83 178.05 1wsj h ARG 106 N 0.13 0.59 -0.28 1.46 2.43 -0.96 -1.92 114.38 115.82 1wsj h ARG 106 Ca -0.01 -0.46 -0.07 0.00 -0.81 0.00 0.00 59.98 58.63 1wsj h ARG 106 Cb 1.12 0.09 -0.01 0.00 -0.42 0.00 0.00 29.97 30.75 1wsj h ARG 106 CO 0.09 1.09 -0.08 1.25 -1.51 0.00 0.00 179.97 180.81 1wsj h LEU 107 N 0.41 0.55 -0.52 3.80 5.85 -0.64 -1.57 115.31 123.21 1wsj h LEU 107 Ca -0.03 -0.37 0.06 0.00 0.84 0.00 0.00 57.88 58.37 1wsj h LEU 107 Cb 1.31 -0.15 -0.05 0.00 0.37 0.00 0.00 40.66 42.14 1wsj h LEU 107 CO 0.14 0.80 0.23 -0.78 -0.34 0.00 0.00 178.44 178.48 1wsj h ASP 108 N 0.30 0.29 -0.33 1.25 -0.00 -1.04 0.14 116.42 117.03 1wsj h ASP 108 Ca 0.07 0.05 0.00 0.00 -0.00 0.00 0.00 57.03 57.15 1wsj h ASP 108 Cb 0.56 -0.00 -0.02 0.00 -0.00 0.00 0.00 39.33 39.88 1wsj h ASP 108 CO 0.03 0.20 0.22 0.00 -0.00 0.00 0.00 179.24 179.68 1wsj h ALA 109 N 1.31 0.42 -0.64 -0.78 0.00 -1.22 -1.37 119.26 116.98 1wsj h ALA 109 Ca 0.24 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.12 1wsj h ALA 109 Cb 0.21 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 17.83 1wsj h ALA 109 CO -0.20 -0.11 0.41 0.00 0.00 0.00 0.00 179.25 179.34 1wsj h ALA 110 N 1.11 0.82 -0.76 0.00 0.00 -0.51 -2.36 119.26 117.57 1wsj h ALA 110 Ca 0.12 -0.06 -0.03 0.00 0.00 0.00 0.00 54.91 54.94 1wsj h ALA 110 Cb -0.04 -0.26 -0.04 0.00 0.00 0.00 0.00 17.79 17.45 1wsj h ALA 110 CO -0.03 0.27 0.35 -0.07 0.00 0.00 0.00 179.25 179.77 1wsj h LEU 111 N 0.87 0.99 0.00 0.00 3.38 -0.43 -2.24 115.31 117.88 1wsj h LEU 111 Ca 0.23 -0.12 0.00 0.00 0.09 0.00 0.00 57.88 58.09 1wsj h LEU 111 Cb -0.07 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 40.43 1wsj h LEU 111 CO -0.05 0.84 0.00 0.61 0.09 0.00 0.00 178.44 179.94 1wsj n GLY 112 N -1.04 -0.42 0.48 0.83 0.00 -0.54 -1.58 105.19 102.92 1wsj n GLY 112 Ca 0.07 -0.01 0.12 0.00 0.00 0.00 0.00 46.02 46.20 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 1.28 -4.15 1.61 1.13 -0.84 -4.99 117.38 110.11 1wsj n GLN 113 Ca 0.01 -0.96 -0.13 0.00 -1.94 0.00 0.00 57.00 53.98 1wsj n GLN 113 Cb 0.03 -1.48 -0.07 0.00 0.11 0.00 0.00 30.24 28.82 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 -2.39 1.08 -0.30 1.08 3.76 -0.61 -4.32 115.29 113.60 1wsj s HIS 114 Ca 0.23 -1.28 -0.13 0.00 -0.15 0.00 0.00 55.06 53.73 1wsj s HIS 114 Cb 0.19 -0.32 -0.03 0.00 1.11 0.00 0.00 32.58 33.52 1wsj s HIS 114 CO 0.50 -0.87 0.29 -0.65 -0.85 0.00 0.00 174.74 173.16 1wsj s GLN 115 N -3.75 3.82 -0.07 1.40 -0.21 -0.44 -4.97 119.66 115.44 1wsj s GLN 115 Ca 0.34 -0.28 -0.01 0.00 0.02 0.00 0.00 55.36 55.43 1wsj s GLN 115 Cb 0.03 -3.71 -0.03 0.00 1.00 0.00 0.00 33.01 30.29 1wsj s GLN 115 CO 0.16 -0.32 0.00 0.42 -2.12 0.00 0.00 175.29 173.43 1wsj s ILE 116 N 1.91 4.28 -0.21 1.08 -1.09 -1.26 -0.07 121.20 125.83 1wsj s ILE 116 Ca 0.10 -0.30 -0.02 0.00 -2.23 0.00 0.00 60.65 58.20 1wsj s ILE 116 Cb -0.16 -2.81 0.06 0.00 -1.58 0.00 0.00 42.46 37.96 1wsj s ILE 116 CO 0.11 0.57 0.01 -0.75 -1.23 0.00 0.00 174.94 173.65 1wsj s LYS 117 N -0.99 0.98 0.15 2.79 2.20 0.42 -4.96 119.74 120.33 1wsj s LYS 117 Ca 0.14 -0.62 -0.24 0.00 -0.36 0.00 0.00 55.97 54.89 1wsj s LYS 117 Cb -0.11 -2.28 -0.08 0.00 -1.51 0.00 0.00 37.83 33.85 1wsj s LYS 117 CO 0.04 -0.63 0.75 -1.58 -0.36 0.00 0.00 175.35 173.56 1wsj s TRP 118 N 1.70 3.89 -0.26 4.03 0.52 -1.26 -1.03 118.94 126.53 1wsj s TRP 118 Ca -0.03 1.58 -0.01 0.00 0.02 0.00 0.00 56.10 57.67 1wsj s TRP 118 Cb -0.18 -2.73 0.08 0.00 -1.15 0.00 0.00 33.47 29.49 1wsj s TRP 118 CO -0.07 0.52 0.05 -2.00 0.02 0.00 0.00 176.95 175.47 1wsj s GLU 119 N -1.13 0.88 -0.37 4.98 2.12 0.55 -4.91 118.70 120.83 1wsj s GLU 119 Ca 0.35 -0.87 -0.27 0.00 0.36 0.00 0.00 54.97 54.54 1wsj s GLU 119 Cb -0.23 -2.17 0.02 0.00 0.26 0.00 0.00 34.13 32.01 1wsj s GLU 119 CO 0.25 -0.80 1.00 -1.58 -0.54 0.00 0.00 175.26 173.59 1wsj s TRP 120 N 1.64 3.07 0.00 5.30 0.52 -1.26 -1.96 118.94 126.24 1wsj s TRP 120 Ca 0.03 0.89 0.00 0.00 0.02 0.00 0.00 56.10 57.05 1wsj s TRP 120 Cb -0.18 -3.76 0.00 0.00 -1.15 0.00 0.00 33.47 28.38 1wsj s TRP 120 CO -0.16 -0.87 0.00 1.33 0.02 0.00 0.00 176.95 177.28 1wsj n VAL 121 N 6.06 0.00 0.00 4.03 0.24 -0.11 -4.95 118.33 123.60 1wsj n VAL 121 Ca 0.09 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.39 1wsj n VAL 121 Cb 0.48 -0.22 0.00 0.00 -1.47 0.00 0.00 33.84 32.62 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 5.00 0.64 2.60 7.63 0.00 -1.26 -4.43 105.19 115.37 1wsj n GLY 126 Ca 0.00 -0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.75 1wsj n GLY 126 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1wsj n HIS 127 N 0.00 1.48 -0.12 1.61 -0.00 -1.26 -4.98 115.22 111.95 1wsj n HIS 127 Ca 0.00 -3.87 -0.05 0.00 -0.00 0.00 0.00 57.72 53.80 1wsj n HIS 127 Cb 0.00 -0.28 0.01 0.00 -0.00 0.00 0.00 29.99 29.73 1wsj n HIS 127 CO 0.00 0.00 0.00 -1.35 -0.00 0.00 0.00 176.34 174.99 1wsj h PRO 128 N 5.20 -0.04 -0.77 -0.41 0.11 -2.05 -0.80 132.00 133.25 1wsj h PRO 128 Ca 0.19 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 66.29 1wsj h PRO 128 Cb 0.81 0.01 -0.04 0.00 0.11 0.00 0.00 31.00 31.89 1wsj h PRO 128 CO 0.58 -0.03 0.43 0.93 -0.21 0.00 0.00 178.00 179.71 1wsj h GLU 129 N -0.04 1.06 -0.47 1.05 3.07 -1.99 -0.49 114.58 116.78 1wsj h GLU 129 Ca 0.20 -0.12 -0.13 0.00 -0.50 0.00 0.00 59.36 58.81 1wsj h GLU 129 Cb 0.34 -0.21 -0.01 0.00 -0.84 0.00 0.00 28.75 28.02 1wsj h GLU 129 CO -0.43 0.78 -0.23 -0.91 -1.40 0.00 0.00 179.01 176.82 1wsj h ASN 130 N 1.06 1.00 -0.84 1.42 4.21 -1.84 -1.37 115.58 119.23 1wsj h ASN 130 Ca 0.27 -0.38 -0.04 0.00 1.21 0.00 0.00 56.30 57.36 1wsj h ASN 130 Cb 0.02 -0.28 -0.04 0.00 -1.12 0.00 0.00 38.32 36.90 1wsj h ASN 130 CO -0.05 1.18 0.38 -0.33 -1.29 0.00 0.00 177.43 177.32 1wsj h GLU 131 N 0.84 1.22 -0.40 0.81 5.08 -0.87 -2.12 114.58 119.14 1wsj h GLU 131 Ca 0.11 -0.20 -0.05 0.00 -1.00 0.00 0.00 59.36 58.22 1wsj h GLU 131 Cb 0.80 -0.21 -0.02 0.00 0.50 0.00 0.00 28.75 29.82 1wsj h GLU 131 CO 0.07 0.96 0.03 0.00 -1.00 0.00 0.00 179.01 179.06 1wsj h ARG 132 N 1.20 0.63 -0.54 2.33 3.08 -0.75 -2.51 114.38 117.82 1wsj h ARG 132 Ca 0.28 -0.14 -0.11 0.00 0.07 0.00 0.00 59.98 60.08 1wsj h ARG 132 Cb 0.16 -0.09 -0.02 0.00 0.08 0.00 0.00 29.97 30.10 1wsj h ARG 132 CO -0.03 0.63 -0.11 0.00 -1.07 0.00 0.00 179.97 179.39 1wsj h ASP 134 N 0.91 0.86 -0.20 0.00 3.58 -1.16 0.90 116.42 121.30 1wsj h ASP 134 Ca 0.14 -0.08 0.02 0.00 0.42 0.00 0.00 57.03 57.53 1wsj h ASP 134 Cb 0.67 -0.22 -0.02 0.00 1.72 0.00 0.00 39.33 41.49 1wsj h ASP 134 CO 0.05 0.69 0.07 -0.33 -2.88 0.00 0.00 179.24 176.84 1wsj h GLU 135 N 0.95 0.16 -0.64 0.28 4.39 -1.27 0.85 114.58 119.30 1wsj h GLU 135 Ca 0.25 -0.01 -0.04 0.00 0.34 0.00 0.00 59.36 59.90 1wsj h GLU 135 Cb 0.01 -0.04 -0.03 0.00 -0.10 0.00 0.00 28.75 28.59 1wsj h GLU 135 CO -0.04 0.11 0.25 -0.07 -1.16 0.00 0.00 179.01 178.10 1wsj h LEU 136 N 0.17 0.86 -0.03 1.33 3.38 -1.00 -1.99 115.31 118.03 1wsj h LEU 136 Ca 0.09 -0.12 -0.01 0.00 0.09 0.00 0.00 57.88 57.93 1wsj h LEU 136 Cb 0.05 -0.22 -0.00 0.00 0.09 0.00 0.00 40.66 40.58 1wsj h LEU 136 CO -0.09 0.77 -0.01 0.00 0.09 0.00 0.00 178.44 179.21 1wsj h ALA 137 N 1.35 0.04 -0.10 1.53 0.00 -0.32 -2.08 119.26 119.67 1wsj h ALA 137 Ca 0.22 -0.21 0.03 0.00 0.00 0.00 0.00 54.91 54.95 1wsj h ALA 137 Cb 0.18 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 17.94 1wsj h ALA 137 CO -0.02 -0.25 -0.06 0.00 0.00 0.00 0.00 179.25 178.92 1wsj h ARG 138 N -0.32 -0.05 -0.94 0.00 3.08 -0.75 -0.31 114.38 115.08 1wsj h ARG 138 Ca 0.01 0.00 0.09 0.00 0.07 0.00 0.00 59.98 60.15 1wsj h ARG 138 Cb 0.41 0.01 -0.07 0.00 0.08 0.00 0.00 29.97 30.41 1wsj h ARG 138 CO 0.00 -0.04 0.60 0.00 -1.07 0.00 0.00 179.97 179.47 1wsj h ALA 139 N 1.04 1.55 -0.33 0.04 0.00 -1.38 -0.24 119.26 119.94 1wsj h ALA 139 Ca 0.06 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.95 1wsj h ALA 139 Cb 0.15 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.69 1wsj h ALA 139 CO -0.14 0.27 0.14 0.00 0.00 0.00 0.00 179.25 179.52 1wsj h ALA 140 N 1.53 0.43 -0.79 0.00 0.00 -0.58 -2.07 119.26 117.78 1wsj h ALA 140 Ca 0.43 -0.12 0.02 0.00 0.00 0.00 0.00 54.91 55.24 1wsj h ALA 140 Cb 0.35 -0.13 -0.04 0.00 0.00 0.00 0.00 17.79 17.97 1wsj h ALA 140 CO -0.19 0.01 0.52 0.00 0.00 0.00 0.00 179.25 179.59 1wsj h ALA 141 N 0.99 1.48 0.00 0.00 0.00 0.27 -0.61 119.26 121.39 1wsj h ALA 141 Ca 0.11 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.97 1wsj h ALA 141 Cb 0.16 -0.30 0.00 0.00 0.00 0.00 0.00 17.79 17.66 1wsj h ALA 141 CO -0.01 0.46 0.00 -1.33 0.00 0.00 0.00 179.25 178.37 1wsj n MET 142 N -4.43 0.06 -2.85 0.00 2.81 -0.24 -3.96 117.12 108.51 1wsj n MET 142 Ca 0.09 0.18 -0.12 0.00 -1.81 0.00 0.00 57.70 56.04 1wsj n MET 142 Cb 0.07 -1.59 0.02 0.00 -0.71 0.00 0.00 33.22 31.02 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 -1.70 0.58 -4.67 7.83 4.05 -0.33 -5.08 115.26 115.94 1wsj n ASN 143 Ca 0.05 -2.87 -0.36 0.00 0.45 0.00 0.00 54.58 51.85 1wsj n ASN 143 Cb 0.27 -0.21 0.08 0.00 1.23 0.00 0.00 39.78 41.16 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 0.03 0.71 0.00 1.20 -0.04 -0.64 -4.70 135.00 131.56 1wsj n PRO 144 Ca 0.13 0.30 0.00 0.00 -0.04 0.00 0.00 63.50 63.89 1wsj n PRO 144 Cb 0.76 -2.36 0.00 0.00 -0.04 0.00 0.00 33.50 31.86 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 -2.35 0.00 -4.02 0.52 -2.24 -0.97 -4.86 114.28 100.37 1wsj n THR 145 Ca 0.14 0.00 -0.22 0.00 -2.27 0.00 0.00 64.05 61.70 1wsj n THR 145 Cb 0.49 0.34 -0.05 0.00 -2.10 0.00 0.00 70.33 69.01 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 3.45 -0.14 3.22 1.43 -0.49 -4.96 118.68 121.20 1wsj s LEU 146 Ca 0.00 -0.59 -0.04 0.00 -1.03 0.00 0.00 54.13 52.47 1wsj s LEU 146 Cb 0.00 -1.99 -0.03 0.00 0.03 0.00 0.00 46.19 44.19 1wsj s LEU 146 CO 0.00 -0.25 0.02 -0.70 0.23 0.00 0.00 176.35 175.64 1wsj s GLU 147 N -3.88 3.51 -1.21 1.70 2.12 -1.26 -1.53 118.70 118.14 1wsj s GLU 147 Ca 0.38 -0.40 -0.16 0.00 0.36 0.00 0.00 54.97 55.14 1wsj s GLU 147 Cb -0.05 -2.98 0.13 0.00 0.26 0.00 0.00 34.13 31.50 1wsj s GLU 147 CO 0.24 0.45 1.51 0.34 -0.54 0.00 0.00 175.26 177.26 1wsj s ASP 148 N -0.16 6.95 0.38 -1.70 3.68 -1.26 -4.84 116.67 119.72 1wsj s ASP 148 Ca 0.05 -2.70 0.19 0.00 2.13 0.00 0.00 52.55 52.22 1wsj s ASP 148 Cb -0.12 -2.46 1.15 0.00 -1.45 0.00 0.00 42.92 40.03 1wsj s ASP 148 CO 0.02 -0.93 1.69 0.74 0.13 0.00 0.00 175.17 176.82 1wsj h THR 149 N 5.10 0.35 -0.01 1.71 2.02 -1.95 -2.17 112.91 117.96 1wsj h THR 149 Ca 0.34 -0.11 0.00 0.00 0.77 0.00 0.00 66.41 67.42 1wsj h THR 149 Cb 0.89 0.00 0.00 0.00 -1.74 0.00 0.00 68.15 67.30 1wsj h THR 149 CO 1.31 0.06 -0.08 0.61 0.37 0.00 0.00 175.52 177.79 1wsj n GLY 150 N -1.40 -0.43 3.70 2.16 0.00 -1.26 -4.90 105.19 103.07 1wsj n GLY 150 Ca 0.31 -0.37 -0.42 0.00 0.00 0.00 0.00 46.02 45.53 1wsj n GLY 150 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1wsj s TYR 151 N -2.20 3.16 0.00 1.61 6.14 -0.82 -4.99 117.35 120.25 1wsj s TYR 151 Ca 0.34 1.01 0.00 0.00 0.64 0.00 0.00 57.07 59.07 1wsj s TYR 151 Cb 0.21 -3.59 0.00 0.00 0.42 0.00 0.00 41.96 38.99 1wsj s TYR 151 CO 0.41 -2.05 0.07 1.04 0.64 0.00 0.00 175.55 175.65