#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 4.26 0.16 -0.89 1.43 -1.26 -4.99 118.68 117.39 1wsj s LEU 2 Ca 0.00 2.06 -0.30 0.00 -1.03 0.00 0.00 54.13 54.86 1wsj s LEU 2 Cb 0.00 -4.03 -0.08 0.00 0.03 0.00 0.00 46.19 42.11 1wsj s LEU 2 CO 0.00 -0.35 1.29 -0.54 0.23 0.00 0.00 176.35 176.97 1wsj s LYS 3 N -2.18 4.40 -0.39 1.70 1.02 -1.26 -4.75 119.74 118.27 1wsj s LYS 3 Ca 0.54 1.98 -0.15 0.00 0.02 0.00 0.00 55.97 58.36 1wsj s LYS 3 Cb -0.24 -3.24 0.01 0.00 -0.52 0.00 0.00 37.83 33.84 1wsj s LYS 3 CO 0.30 -0.26 0.29 -1.14 -0.92 0.00 0.00 175.35 173.63 1wsj s GLN 4 N 0.31 3.13 -0.08 1.68 0.74 -1.26 -1.72 119.66 122.46 1wsj s GLN 4 Ca 0.58 -0.89 -0.03 0.00 0.05 0.00 0.00 55.36 55.07 1wsj s GLN 4 Cb -0.35 -3.93 -0.04 0.00 1.10 0.00 0.00 33.01 29.80 1wsj s GLN 4 CO 0.35 -0.67 0.04 0.08 -0.55 0.00 0.00 175.29 174.54 1wsj s VAL 5 N 1.72 4.63 -0.19 1.34 1.01 0.58 -4.79 120.40 124.71 1wsj s VAL 5 Ca 0.06 -0.19 -0.13 0.00 0.00 0.00 0.00 61.98 61.72 1wsj s VAL 5 Cb -0.18 -2.99 -0.05 0.00 0.00 0.00 0.00 36.38 33.16 1wsj s VAL 5 CO 0.10 0.56 0.26 -0.70 0.00 0.00 0.00 175.10 175.33 1wsj s GLU 6 N -1.07 4.20 -0.13 2.72 2.12 -0.12 -0.97 118.70 125.46 1wsj s GLU 6 Ca 0.15 0.01 0.01 0.00 0.36 0.00 0.00 54.97 55.50 1wsj s GLU 6 Cb -0.12 -3.46 0.02 0.00 0.26 0.00 0.00 34.13 30.83 1wsj s GLU 6 CO 0.05 0.17 -0.16 0.42 -0.54 0.00 0.00 175.26 175.20 1wsj s ILE 7 N 0.70 1.61 -0.13 -3.70 1.01 -0.40 -0.48 121.20 119.81 1wsj s ILE 7 Ca 0.14 -0.69 -0.01 0.00 0.00 0.00 0.00 60.65 60.09 1wsj s ILE 7 Cb -0.13 -1.48 -0.02 0.00 0.01 0.00 0.00 42.46 40.84 1wsj s ILE 7 CO 0.04 0.46 -0.09 -0.36 0.00 0.00 0.00 174.94 174.99 1wsj s PHE 8 N 1.14 2.89 0.06 3.97 0.08 -0.02 0.24 117.98 126.34 1wsj s PHE 8 Ca -0.03 -0.42 -0.04 0.00 0.12 0.00 0.00 56.93 56.57 1wsj s PHE 8 Cb -0.14 -1.86 -0.03 0.00 -0.57 0.00 0.00 43.02 40.42 1wsj s PHE 8 CO -0.05 -0.07 0.04 0.95 -0.10 0.00 0.00 175.22 176.00 1wsj s THR 9 N 0.16 0.19 -0.16 0.64 -4.23 -0.98 -0.51 115.64 110.75 1wsj s THR 9 Ca -0.05 -1.57 -0.33 0.00 -1.18 0.00 0.00 61.69 58.56 1wsj s THR 9 Cb -0.14 -1.43 0.14 0.00 1.34 0.00 0.00 72.50 72.40 1wsj s THR 9 CO 0.04 -0.87 1.14 -0.62 -0.54 0.00 0.00 174.62 173.77 1wsj s ASP 10 N -2.86 -0.20 0.10 3.99 3.68 -0.74 -4.58 116.67 116.06 1wsj s ASP 10 Ca 0.06 0.06 0.07 0.00 2.13 0.00 0.00 52.55 54.87 1wsj s ASP 10 Cb 0.06 0.20 -0.03 0.00 -1.45 0.00 0.00 42.92 41.70 1wsj s ASP 10 CO -0.10 -0.29 -0.17 -0.83 0.13 0.00 0.00 175.17 173.91 1wsj s GLY 11 N -1.94 1.07 0.04 2.66 0.00 -1.26 -1.03 107.32 106.86 1wsj s GLY 11 Ca 0.07 -1.17 0.04 0.00 0.00 0.00 0.00 44.72 43.66 1wsj s GLY 11 CO -0.05 -1.20 -0.13 -0.45 0.00 0.00 0.00 173.10 171.28 1wsj s SER 12 N -1.99 1.49 -0.30 1.64 0.15 0.84 -4.73 113.70 110.80 1wsj s SER 12 Ca 0.04 -0.45 -0.07 0.00 0.70 0.00 0.00 55.95 56.17 1wsj s SER 12 Cb -0.09 -0.08 0.15 0.00 -1.71 0.00 0.00 66.02 64.29 1wsj s SER 12 CO 0.03 0.00 0.65 0.00 1.20 0.00 0.00 173.24 175.12 1wsj s LEU 14 N 2.88 3.23 0.27 0.00 1.43 -1.12 -4.63 118.68 120.74 1wsj s LEU 14 Ca 0.03 0.01 0.00 0.00 -1.03 0.00 0.00 54.13 53.14 1wsj s LEU 14 Cb -0.13 -2.54 0.00 0.00 0.03 0.00 0.00 46.19 43.55 1wsj s LEU 14 CO -0.20 -2.62 0.00 0.61 0.23 0.00 0.00 176.35 174.37 1wsj n GLY 15 N 6.19 -3.59 3.34 -3.19 0.00 -1.26 -4.49 105.19 102.19 1wsj n GLY 15 Ca 0.30 -1.02 -0.38 0.00 0.00 0.00 0.00 46.02 44.93 1wsj n GLY 15 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1wsj s ASN 16 N -3.44 5.22 0.67 1.61 0.01 -1.26 -3.25 114.94 114.49 1wsj s ASN 16 Ca 0.00 -0.78 0.04 0.00 -0.71 0.00 0.00 52.86 51.41 1wsj s ASN 16 Cb 0.00 -1.90 0.11 0.00 0.41 0.00 0.00 41.25 39.88 1wsj s ASN 16 CO 0.00 -0.22 0.92 -2.16 -1.51 0.00 0.00 177.10 174.12 1wsj s PRO 17 N 1.50 1.91 0.00 -0.60 0.04 -1.26 -5.08 135.00 131.50 1wsj s PRO 17 Ca 0.02 -1.35 0.00 0.00 0.04 0.00 0.00 61.00 59.71 1wsj s PRO 17 Cb -0.18 -2.46 0.00 0.00 0.04 0.00 0.00 34.50 31.90 1wsj s PRO 17 CO 0.03 -1.23 0.00 0.41 0.04 0.00 0.00 177.00 176.25 1wsj n GLY 18 N -2.60 -1.27 3.74 0.56 0.00 -0.43 -4.94 105.19 100.25 1wsj n GLY 18 Ca 0.16 -1.29 -0.41 0.00 0.00 0.00 0.00 46.02 44.48 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 -0.06 2.15 -3.90 1.61 -0.02 -1.14 -0.90 135.00 132.75 1wsj n PRO 19 Ca 0.00 0.76 -0.09 0.00 -2.02 0.00 0.00 63.50 62.15 1wsj n PRO 19 Cb 0.00 -2.52 -0.01 0.00 -0.02 0.00 0.00 33.50 30.94 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 -0.47 0.36 0.25 -1.23 0.00 -0.71 -2.78 107.32 102.75 1wsj s GLY 20 Ca 0.60 -0.70 -0.22 0.00 0.00 0.00 0.00 44.72 44.41 1wsj s GLY 20 CO 0.58 -0.37 0.72 -0.32 0.00 0.00 0.00 173.10 173.72 1wsj s GLY 21 N -3.02 -0.18 0.18 0.20 0.00 0.26 0.28 107.32 105.04 1wsj s GLY 21 Ca 0.17 -0.16 0.07 0.00 0.00 0.00 0.00 44.72 44.81 1wsj s GLY 21 CO 0.10 -0.05 -0.15 -2.52 0.00 0.00 0.00 173.10 170.49 1wsj s TYR 22 N -3.84 1.66 -0.01 1.90 -0.85 -0.72 -0.11 117.35 115.37 1wsj s TYR 22 Ca 0.10 -0.55 0.01 0.00 -0.52 0.00 0.00 57.07 56.10 1wsj s TYR 22 Cb -0.05 -0.80 0.01 0.00 0.38 0.00 0.00 41.96 41.49 1wsj s TYR 22 CO 0.04 0.30 -0.02 0.20 -1.52 0.00 0.00 175.55 174.54 1wsj s GLY 23 N -2.99 0.19 -0.06 5.49 0.00 -0.19 -2.97 107.32 106.77 1wsj s GLY 23 Ca 0.18 -0.06 -0.06 0.00 0.00 0.00 0.00 44.72 44.78 1wsj s GLY 23 CO 0.06 0.07 0.17 0.00 0.00 0.00 0.00 173.10 173.39 1wsj s ALA 24 N 0.21 -0.41 -0.10 3.20 0.00 0.10 -1.79 121.76 122.98 1wsj s ALA 24 Ca -0.02 0.45 0.02 0.00 0.00 0.00 0.00 51.96 52.41 1wsj s ALA 24 Cb -0.05 -0.26 0.02 0.00 0.00 0.00 0.00 23.12 22.83 1wsj s ALA 24 CO -0.00 -0.08 -0.13 0.42 0.00 0.00 0.00 175.76 175.96 1wsj s ILE 25 N 0.04 1.33 -0.08 0.00 1.01 0.33 -1.20 121.20 122.63 1wsj s ILE 25 Ca -0.00 -0.55 -0.02 0.00 0.00 0.00 0.00 60.65 60.08 1wsj s ILE 25 Cb -0.01 -1.23 -0.03 0.00 0.01 0.00 0.00 42.46 41.20 1wsj s ILE 25 CO 0.00 0.41 0.01 -0.76 0.00 0.00 0.00 174.94 174.60 1wsj s LEU 26 N 0.98 3.62 -0.03 2.97 1.02 0.70 -0.84 118.68 127.11 1wsj s LEU 26 Ca -0.08 0.14 -0.01 0.00 0.02 0.00 0.00 54.13 54.21 1wsj s LEU 26 Cb -0.15 -1.87 0.03 0.00 0.02 0.00 0.00 46.19 44.22 1wsj s LEU 26 CO -0.01 0.37 0.03 -0.60 0.02 0.00 0.00 176.35 176.16 1wsj s ARG 27 N -0.99 0.02 -0.11 1.70 3.52 0.36 -1.34 118.95 122.11 1wsj s ARG 27 Ca 0.14 0.22 -0.04 0.00 -0.13 0.00 0.00 55.73 55.93 1wsj s ARG 27 Cb -0.11 -0.38 0.06 0.00 -1.56 0.00 0.00 34.95 32.95 1wsj s ARG 27 CO 0.04 -0.21 0.23 -0.47 -0.81 0.00 0.00 175.30 174.07 1wsj s TYR 28 N 1.41 -0.33 -1.49 5.12 6.14 -0.55 -0.94 117.35 126.71 1wsj s TYR 28 Ca -0.05 0.82 -0.07 0.00 0.64 0.00 0.00 57.07 58.42 1wsj s TYR 28 Cb -0.13 -0.09 0.01 0.00 0.42 0.00 0.00 41.96 42.17 1wsj s TYR 28 CO -0.03 -0.31 0.80 -2.13 0.64 0.00 0.00 175.55 174.53 1wsj n ARG 29 N 5.13 -5.85 0.00 4.97 3.00 -1.26 -1.50 116.66 121.16 1wsj n ARG 29 Ca -0.09 0.86 0.00 0.00 -0.00 0.00 0.00 57.85 58.62 1wsj n ARG 29 Cb 0.50 -5.78 0.00 0.00 0.00 0.00 0.00 32.46 27.18 1wsj n ARG 29 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1wsj n GLY 30 N -1.67 2.29 3.77 5.14 0.00 -1.26 -4.99 105.19 108.47 1wsj n GLY 30 Ca -0.07 -0.02 -0.38 0.00 0.00 0.00 0.00 46.02 45.55 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 4.05 0.19 1.61 0.52 -0.56 -5.04 118.95 119.73 1wsj s ARG 31 Ca 0.00 1.87 0.11 0.00 -0.52 0.00 0.00 55.73 57.19 1wsj s ARG 31 Cb 0.00 -2.69 -0.04 0.00 0.52 0.00 0.00 34.95 32.74 1wsj s ARG 31 CO 0.00 -0.33 -0.19 -1.21 0.02 0.00 0.00 175.30 173.59 1wsj s GLU 32 N -2.28 1.71 -0.01 3.54 2.02 -1.26 -1.48 118.70 120.93 1wsj s GLU 32 Ca 0.57 -1.45 0.00 0.00 0.02 0.00 0.00 54.97 54.11 1wsj s GLU 32 Cb -0.31 -1.95 0.02 0.00 0.10 0.00 0.00 34.13 31.99 1wsj s GLU 32 CO 0.40 0.41 0.01 0.15 0.02 0.00 0.00 175.26 176.24 1wsj s LYS 33 N -2.76 0.05 0.10 1.61 1.02 -0.45 -4.98 119.74 114.32 1wsj s LYS 33 Ca 0.23 0.08 0.10 0.00 0.02 0.00 0.00 55.97 56.40 1wsj s LYS 33 Cb -0.08 -0.21 -0.04 0.00 -0.52 0.00 0.00 37.83 36.98 1wsj s LYS 33 CO 0.12 -0.09 -0.26 0.99 -0.92 0.00 0.00 175.35 175.19 1wsj s THR 34 N 0.63 2.11 -0.03 2.17 2.01 -1.26 -0.21 115.64 121.05 1wsj s THR 34 Ca -0.05 -1.59 -0.04 0.00 0.31 0.00 0.00 61.69 60.32 1wsj s THR 34 Cb -0.08 -1.85 0.01 0.00 0.01 0.00 0.00 72.50 70.59 1wsj s THR 34 CO -0.02 0.15 0.10 -0.36 -0.69 0.00 0.00 174.62 173.81 1wsj s PHE 35 N -0.98 -0.08 -0.05 4.92 0.08 -0.34 -5.01 117.98 116.52 1wsj s PHE 35 Ca 0.12 0.19 -0.29 0.00 0.12 0.00 0.00 56.93 57.07 1wsj s PHE 35 Cb -0.10 0.02 0.10 0.00 -0.57 0.00 0.00 43.02 42.47 1wsj s PHE 35 CO 0.04 -0.08 0.83 -1.54 -0.10 0.00 0.00 175.22 174.37 1wsj s SER 36 N -0.17 -0.48 -0.08 1.36 1.04 -1.26 -0.72 113.70 113.38 1wsj s SER 36 Ca -0.02 0.36 -0.30 0.00 0.48 0.00 0.00 55.95 56.48 1wsj s SER 36 Cb -0.02 0.43 0.11 0.00 0.10 0.00 0.00 66.02 66.64 1wsj s SER 36 CO 0.00 -0.56 0.88 0.00 0.98 0.00 0.00 173.24 174.54 1wsj s ALA 37 N -1.89 -1.85 0.08 5.32 0.00 -1.16 -4.99 121.76 117.27 1wsj s ALA 37 Ca -0.03 1.33 0.09 0.00 0.00 0.00 0.00 51.96 53.36 1wsj s ALA 37 Cb -0.00 -0.19 -0.03 0.00 0.00 0.00 0.00 23.12 22.89 1wsj s ALA 37 CO 0.00 -0.44 -0.25 0.20 0.00 0.00 0.00 175.76 175.27 1wsj s GLY 38 N -1.55 1.39 0.07 0.00 0.00 -1.26 -1.76 107.32 104.22 1wsj s GLY 38 Ca -0.02 -1.29 0.10 0.00 0.00 0.00 0.00 44.72 43.50 1wsj s GLY 38 CO 0.00 -1.22 -0.26 -0.19 0.00 0.00 0.00 173.10 171.43 1wsj s TYR 39 N -0.92 2.25 0.17 1.90 1.51 0.14 -1.93 117.35 120.48 1wsj s TYR 39 Ca 0.11 -0.40 -0.12 0.00 -1.01 0.00 0.00 57.07 55.65 1wsj s TYR 39 Cb -0.10 -1.30 0.07 0.00 -0.11 0.00 0.00 41.96 40.52 1wsj s TYR 39 CO 0.03 0.19 1.73 1.79 -1.11 0.00 0.00 175.55 178.18 1wsj h THR 40 N 4.13 1.22 -2.77 -0.71 1.35 -1.38 -1.89 112.91 112.86 1wsj h THR 40 Ca -0.47 -0.69 -0.30 0.00 -0.55 0.00 0.00 66.41 64.39 1wsj h THR 40 Cb 1.15 0.60 -0.36 0.00 -1.73 0.00 0.00 68.15 67.82 1wsj h THR 40 CO 0.42 0.27 -0.62 -0.60 -0.25 0.00 0.00 175.52 174.74 1wsj s ARG 41 N -5.56 0.13 0.00 4.72 3.52 -1.26 -2.86 118.95 117.64 1wsj s ARG 41 Ca -0.13 0.38 0.00 0.00 -0.13 0.00 0.00 55.73 55.85 1wsj s ARG 41 Cb 0.13 -0.79 0.00 0.00 -1.56 0.00 0.00 34.95 32.73 1wsj s ARG 41 CO 0.79 -0.50 0.00 -2.37 -0.81 0.00 0.00 175.30 172.41 1wsj n THR 42 N 5.32 0.00 -4.26 4.11 5.66 -0.08 -4.31 114.28 120.73 1wsj n THR 42 Ca -0.05 0.00 -0.14 0.00 -3.05 0.00 0.00 64.05 60.81 1wsj n THR 42 Cb 0.50 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 -2.71 0.78 0.11 1.09 -4.23 -1.26 -1.31 115.64 108.11 1wsj s THR 43 Ca 0.00 -1.99 -0.27 0.00 -1.18 0.00 0.00 61.69 58.25 1wsj s THR 43 Cb 0.00 -2.13 -0.08 0.00 1.34 0.00 0.00 72.50 71.63 1wsj s THR 43 CO 0.00 -0.48 1.64 -1.13 -0.54 0.00 0.00 174.62 174.11 1wsj h ASN 44 N 2.67 -0.72 -0.90 3.99 -1.24 -1.86 -2.28 115.58 115.24 1wsj h ASN 44 Ca -0.37 0.08 0.09 0.00 0.71 0.00 0.00 56.30 56.82 1wsj h ASN 44 Cb 1.21 0.27 -0.06 0.00 0.73 0.00 0.00 38.32 40.47 1wsj h ASN 44 CO 0.63 -0.34 0.58 0.78 -1.29 0.00 0.00 177.43 177.79 1wsj h ASN 45 N -0.46 0.83 -0.09 1.15 -0.26 -1.97 -1.48 115.58 113.29 1wsj h ASN 45 Ca 0.03 0.02 -0.11 0.00 -0.56 0.00 0.00 56.30 55.68 1wsj h ASN 45 Cb 0.49 -0.15 -0.01 0.00 -1.06 0.00 0.00 38.32 37.58 1wsj h ASN 45 CO -0.15 0.49 -0.29 0.03 -1.06 0.00 0.00 177.43 176.46 1wsj h ARG 46 N 0.92 0.56 -0.10 0.81 3.08 -1.90 -2.23 114.38 115.52 1wsj h ARG 46 Ca 0.41 -0.23 -0.15 0.00 0.07 0.00 0.00 59.98 60.08 1wsj h ARG 46 Cb 0.37 -0.02 -0.01 0.00 0.08 0.00 0.00 29.97 30.39 1wsj h ARG 46 CO -0.17 0.79 -0.58 0.52 -1.07 0.00 0.00 179.97 179.46 1wsj h MET 47 N 0.48 0.32 -0.34 0.04 2.86 -0.79 0.13 114.93 117.63 1wsj h MET 47 Ca 0.06 -0.21 -0.09 0.00 -2.06 0.00 0.00 59.70 57.40 1wsj h MET 47 Cb 0.75 0.03 -0.02 0.00 0.06 0.00 0.00 31.60 32.42 1wsj h MET 47 CO 0.06 0.81 -0.16 0.93 1.06 0.00 0.00 176.91 179.60 1wsj h GLU 48 N 0.24 0.61 -0.10 1.72 5.08 -1.12 -1.65 114.58 119.37 1wsj h GLU 48 Ca -0.00 -0.21 -0.24 0.00 -1.00 0.00 0.00 59.36 57.92 1wsj h GLU 48 Cb 1.08 -0.05 0.01 0.00 0.50 0.00 0.00 28.75 30.30 1wsj h GLU 48 CO 0.09 0.75 -0.87 -0.07 -1.00 0.00 0.00 179.01 177.92 1wsj h LEU 49 N 0.55 0.91 -0.95 1.33 3.38 -1.10 -3.29 115.31 116.14 1wsj h LEU 49 Ca 0.09 -0.64 -0.04 0.00 0.09 0.00 0.00 57.88 57.38 1wsj h LEU 49 Cb 0.60 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 41.04 1wsj h LEU 49 CO 0.04 1.44 0.26 -0.03 0.09 0.00 0.00 178.44 180.24 1wsj h MET 50 N 0.48 1.03 -0.74 1.13 4.05 -0.46 -1.59 114.93 118.82 1wsj h MET 50 Ca -0.08 -0.18 0.01 0.00 -0.28 0.00 0.00 59.70 59.17 1wsj h MET 50 Cb 1.50 -0.17 -0.04 0.00 -0.80 0.00 0.00 31.60 32.09 1wsj h MET 50 CO 0.17 0.85 0.49 0.00 0.23 0.00 0.00 176.91 178.65 1wsj h ALA 51 N 1.28 0.94 -0.41 0.39 0.00 -1.38 0.69 119.26 120.78 1wsj h ALA 51 Ca 0.23 -0.05 -0.15 0.00 0.00 0.00 0.00 54.91 54.94 1wsj h ALA 51 Cb 0.21 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.70 1wsj h ALA 51 CO -0.02 0.35 -0.33 0.00 0.00 0.00 0.00 179.25 179.24 1wsj h ALA 52 N 1.28 0.59 0.42 0.00 0.00 -1.57 -1.85 119.26 118.13 1wsj h ALA 52 Ca 0.27 -0.44 -0.02 0.00 0.00 0.00 0.00 54.91 54.73 1wsj h ALA 52 Cb -0.10 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 17.56 1wsj h ALA 52 CO -0.07 0.66 -0.20 0.82 0.00 0.00 0.00 179.25 180.46 1wsj h ILE 53 N 0.77 0.59 -0.94 0.00 2.04 -0.75 -1.33 117.51 117.89 1wsj h ILE 53 Ca 0.07 -0.15 -0.00 0.00 1.00 0.00 0.00 64.86 65.78 1wsj h ILE 53 Cb 0.93 0.66 -0.05 0.00 -0.74 0.00 0.00 36.82 37.62 1wsj h ILE 53 CO 0.09 0.03 0.58 0.58 0.00 0.00 0.00 178.15 179.43 1wsj h VAL 54 N -0.65 1.25 -0.16 1.67 2.07 -0.92 -0.24 116.25 119.28 1wsj h VAL 54 Ca -0.06 -0.53 -0.01 0.00 0.82 0.00 0.00 66.70 66.92 1wsj h VAL 54 Cb 0.48 -0.09 -0.01 0.00 -1.52 0.00 0.00 31.29 30.15 1wsj h VAL 54 CO 0.09 0.26 0.05 0.00 0.02 0.00 0.00 177.57 178.00 1wsj h ALA 55 N 1.32 0.21 -0.50 1.67 0.00 -1.25 -2.22 119.26 118.50 1wsj h ALA 55 Ca 0.34 -0.13 -0.05 0.00 0.00 0.00 0.00 54.91 55.07 1wsj h ALA 55 Cb -0.08 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 17.63 1wsj h ALA 55 CO -0.07 -0.17 0.11 -0.07 0.00 0.00 0.00 179.25 179.05 1wsj h LEU 56 N 0.08 0.77 -1.43 0.00 3.38 -1.02 -2.74 115.31 114.35 1wsj h LEU 56 Ca 0.05 -0.24 0.00 0.00 0.09 0.00 0.00 57.88 57.78 1wsj h LEU 56 Cb 0.23 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 40.78 1wsj h LEU 56 CO -0.00 0.81 0.00 -0.33 0.09 0.00 0.00 178.44 179.01 1wsj h GLU 57 N 0.69 0.00 0.00 1.13 5.08 -0.95 -1.80 114.58 118.72 1wsj h GLU 57 Ca 0.15 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.49 1wsj h GLU 57 Cb 0.35 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.60 1wsj h GLU 57 CO 0.00 0.00 -0.09 0.00 -1.00 0.00 0.00 179.01 177.92 1wsj h ALA 58 N 2.10 0.98 -2.35 3.43 0.00 -1.08 -3.43 119.26 118.90 1wsj h ALA 58 Ca 0.00 -0.08 -0.55 0.00 0.00 0.00 0.00 54.91 54.28 1wsj h ALA 58 Cb 0.25 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.01 1wsj h ALA 58 CO 0.00 0.12 0.58 -0.51 0.00 0.00 0.00 179.25 179.44 1wsj s LEU 59 N -6.34 4.31 0.07 0.00 1.43 -0.68 -4.93 118.68 112.53 1wsj s LEU 59 Ca 0.03 1.76 0.24 0.00 -1.03 0.00 0.00 54.13 55.13 1wsj s LEU 59 Cb 0.08 -3.56 0.29 0.00 0.03 0.00 0.00 46.19 43.02 1wsj s LEU 59 CO 0.62 -0.47 1.25 0.29 0.23 0.00 0.00 176.35 178.27 1wsj n LYS 60 N 4.67 0.23 -4.29 1.70 4.76 -1.26 -4.93 118.16 119.04 1wsj n LYS 60 Ca 0.09 0.04 -0.16 0.00 -2.87 0.00 0.00 58.31 55.42 1wsj n LYS 60 Cb 0.48 -1.62 -0.10 0.00 -1.84 0.00 0.00 35.03 31.95 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 -3.14 1.19 0.06 1.97 -1.05 -1.26 -5.11 118.70 111.36 1wsj s GLU 61 Ca 0.06 -1.55 -0.31 0.00 -0.15 0.00 0.00 54.97 53.03 1wsj s GLU 61 Cb 0.14 -0.66 -0.07 0.00 -0.44 0.00 0.00 34.13 33.10 1wsj s GLU 61 CO 0.74 0.02 1.48 -1.01 0.95 0.00 0.00 175.26 177.44 1wsj s HIS 62 N -3.33 2.84 0.35 4.83 3.76 -1.26 -4.99 115.29 117.48 1wsj s HIS 62 Ca 0.22 0.70 0.03 0.00 -0.15 0.00 0.00 55.06 55.86 1wsj s HIS 62 Cb 0.04 -3.77 -0.05 0.00 1.11 0.00 0.00 32.58 29.91 1wsj s HIS 62 CO 0.04 -2.89 0.08 0.00 -0.85 0.00 0.00 174.74 171.13 1wsj s GLU 64 N -3.86 3.99 -0.10 0.00 2.02 -0.70 -1.09 118.70 118.96 1wsj s GLU 64 Ca 0.32 -0.18 0.03 0.00 0.02 0.00 0.00 54.97 55.16 1wsj s GLU 64 Cb 0.07 -3.65 -0.01 0.00 0.10 0.00 0.00 34.13 30.64 1wsj s GLU 64 CO 0.15 -0.20 -0.18 0.08 0.02 0.00 0.00 175.26 175.13 1wsj s VAL 65 N 1.82 2.63 -0.58 2.63 1.01 0.13 -0.31 120.40 127.73 1wsj s VAL 65 Ca 0.10 -0.83 -0.08 0.00 0.00 0.00 0.00 61.98 61.17 1wsj s VAL 65 Cb -0.16 -2.05 0.15 0.00 0.00 0.00 0.00 36.38 34.33 1wsj s VAL 65 CO 0.10 0.55 0.44 -0.51 0.00 0.00 0.00 175.10 175.69 1wsj s ILE 66 N 0.08 4.24 -0.41 2.22 1.10 -0.14 -0.95 121.20 127.33 1wsj s ILE 66 Ca -0.08 -2.32 -0.23 0.00 -0.51 0.00 0.00 60.65 57.51 1wsj s ILE 66 Cb -0.15 -3.75 0.02 0.00 0.15 0.00 0.00 42.46 38.73 1wsj s ILE 66 CO 0.05 -0.85 0.81 -0.22 -2.11 0.00 0.00 174.94 172.62 1wsj s LEU 67 N 0.66 4.16 -0.19 8.50 0.20 -0.61 -1.27 118.68 130.12 1wsj s LEU 67 Ca 0.12 0.14 -0.05 0.00 0.69 0.00 0.00 54.13 55.03 1wsj s LEU 67 Cb -0.21 -3.03 -0.02 0.00 -0.43 0.00 0.00 46.19 42.50 1wsj s LEU 67 CO -0.03 -0.85 -0.01 -0.55 -0.29 0.00 0.00 176.35 174.62 1wsj s SER 68 N 2.02 4.80 -0.06 3.68 0.15 0.14 -0.74 113.70 123.68 1wsj s SER 68 Ca 0.32 -0.20 -0.28 0.00 0.70 0.00 0.00 55.95 56.49 1wsj s SER 68 Cb -0.12 -1.81 0.06 0.00 -1.71 0.00 0.00 66.02 62.44 1wsj s SER 68 CO 0.20 0.08 0.62 0.28 1.20 0.00 0.00 173.24 175.62 1wsj s THR 69 N 0.93 0.01 -0.62 6.45 -1.32 -1.06 -2.31 115.64 117.71 1wsj s THR 69 Ca 0.01 -0.07 0.00 0.00 -1.21 0.00 0.00 61.69 60.42 1wsj s THR 69 Cb -0.14 -0.94 0.42 0.00 -1.51 0.00 0.00 72.50 70.33 1wsj s THR 69 CO 0.02 -0.04 1.78 -0.90 -2.21 0.00 0.00 174.62 173.26 1wsj n ASP 70 N 1.10 6.82 -4.59 8.08 5.75 -1.26 -1.91 116.55 130.54 1wsj n ASP 70 Ca -0.19 -3.79 -0.37 0.00 -0.01 0.00 0.00 54.79 50.43 1wsj n ASP 70 Cb 0.57 -0.83 -0.11 0.00 -1.03 0.00 0.00 41.12 39.72 1wsj n ASP 70 CO 0.00 0.00 0.00 -0.55 -0.11 0.00 0.00 177.20 176.54 1wsj s SER 71 N -2.15 5.86 0.19 -1.12 0.15 -1.26 -4.94 113.70 110.44 1wsj s SER 71 Ca 0.57 0.00 -0.00 0.00 0.70 0.00 0.00 55.95 57.22 1wsj s SER 71 Cb 0.46 -2.07 0.11 0.00 -1.71 0.00 0.00 66.02 62.81 1wsj s SER 71 CO -0.13 0.01 1.47 1.56 1.20 0.00 0.00 173.24 177.35 1wsj h GLN 72 N 7.93 0.37 -0.07 5.44 1.08 -1.96 -1.61 115.11 126.30 1wsj h GLN 72 Ca -0.37 -0.29 -0.01 0.00 -1.45 0.00 0.00 58.65 56.54 1wsj h GLN 72 Cb 1.18 0.05 -0.00 0.00 -0.05 0.00 0.00 27.48 28.66 1wsj h GLN 72 CO 0.60 0.92 0.02 -0.92 -0.95 0.00 0.00 178.83 178.50 1wsj h TYR 73 N 0.26 0.11 -0.47 2.96 3.20 -1.99 0.20 116.97 121.25 1wsj h TYR 73 Ca -0.02 -0.01 -0.10 0.00 3.14 0.00 0.00 58.73 61.74 1wsj h TYR 73 Cb 1.24 -0.03 -0.01 0.00 1.54 0.00 0.00 36.73 39.46 1wsj h TYR 73 CO 0.04 0.28 -0.11 0.28 -1.64 0.00 0.00 178.16 177.00 1wsj h VAL 74 N -0.09 1.27 0.23 1.81 2.07 -1.95 -1.25 116.25 118.34 1wsj h VAL 74 Ca 0.02 -1.24 -0.01 0.00 0.82 0.00 0.00 66.70 66.30 1wsj h VAL 74 Cb 0.22 1.10 -0.00 0.00 -1.52 0.00 0.00 31.29 31.09 1wsj h VAL 74 CO -0.00 0.43 -0.12 -0.09 0.02 0.00 0.00 177.57 177.80 1wsj h ARG 75 N 0.75 -0.32 -0.50 1.57 2.43 -1.15 0.22 114.38 117.37 1wsj h ARG 75 Ca 0.12 0.02 -0.01 0.00 -0.81 0.00 0.00 59.98 59.30 1wsj h ARG 75 Cb 0.66 0.07 -0.02 0.00 -0.42 0.00 0.00 29.97 30.26 1wsj h ARG 75 CO 0.05 -0.21 0.29 0.37 -1.51 0.00 0.00 179.97 178.95 1wsj h GLN 76 N -0.33 0.70 -0.59 0.20 4.15 -0.59 0.16 115.11 118.80 1wsj h GLN 76 Ca -0.03 -0.07 -0.05 0.00 0.77 0.00 0.00 58.65 59.27 1wsj h GLN 76 Cb 0.26 -0.14 -0.02 0.00 0.21 0.00 0.00 27.48 27.79 1wsj h GLN 76 CO 0.04 0.53 0.18 0.78 -1.93 0.00 0.00 178.83 178.42 1wsj h GLY 77 N 0.67 0.98 0.79 2.39 0.00 -1.05 0.18 103.07 107.04 1wsj h GLY 77 Ca 0.18 -0.59 -0.12 0.00 0.00 0.00 0.00 47.33 46.80 1wsj h GLY 77 CO -0.03 0.55 -0.42 -2.22 0.00 0.00 0.00 176.54 174.42 1wsj h ILE 78 N 0.83 1.39 0.00 2.60 1.08 -0.34 0.10 117.51 123.18 1wsj h ILE 78 Ca 0.19 -1.78 0.00 0.00 -0.39 0.00 0.00 64.86 62.88 1wsj h ILE 78 Cb 0.30 2.25 0.00 0.00 -3.07 0.00 0.00 36.82 36.29 1wsj h ILE 78 CO -0.00 0.52 -0.29 0.35 -0.69 0.00 0.00 178.15 178.04 1wsj n THR 79 N -4.32 0.05 0.00 -0.27 -2.24 0.53 -4.53 114.28 103.51 1wsj n THR 79 Ca -0.08 -0.03 0.00 0.00 -2.27 0.00 0.00 64.05 61.67 1wsj n THR 79 Cb 0.55 -0.11 0.00 0.00 -2.10 0.00 0.00 70.33 68.67 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 -1.57 0.44 -0.05 -0.78 6.02 0.63 -4.99 117.38 117.09 1wsj n GLN 80 Ca 0.06 0.00 -0.06 0.00 -0.01 0.00 0.00 57.00 56.99 1wsj n GLN 80 Cb 0.35 -0.86 -0.06 0.00 1.02 0.00 0.00 30.24 30.69 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 -2.11 0.00 -0.30 1.08 8.01 -1.04 -4.79 117.44 118.29 1wsj n TRP 81 Ca 0.00 0.00 0.04 0.00 -1.31 0.00 0.00 57.50 56.23 1wsj n TRP 81 Cb 0.36 -0.42 0.12 0.00 -2.01 0.00 0.00 31.31 29.35 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 0.16 0.03 -0.99 6.09 -1.03 -0.92 117.51 120.86 1wsj h ILE 82 Ca -0.24 -0.00 0.01 0.00 -1.37 0.00 0.00 64.86 63.26 1wsj h ILE 82 Cb 1.47 0.15 -0.02 0.00 0.47 0.00 0.00 36.82 38.89 1wsj h ILE 82 CO -0.01 0.00 -0.10 -0.74 -3.07 0.00 0.00 178.15 174.24 1wsj h HIS 83 N 0.01 -0.25 -0.59 2.19 2.76 -1.85 -2.25 115.15 115.17 1wsj h HIS 83 Ca 0.42 0.01 -0.03 0.00 -2.20 0.00 0.00 60.37 58.56 1wsj h HIS 83 Cb 0.66 0.11 -0.03 0.00 1.55 0.00 0.00 27.41 29.70 1wsj h HIS 83 CO -0.64 -0.15 0.25 -0.91 -1.30 0.00 0.00 177.93 175.18 1wsj h ASN 84 N -0.19 0.80 -0.09 3.26 -0.26 -1.67 -1.99 115.58 115.44 1wsj h ASN 84 Ca 0.03 -0.16 0.04 0.00 -0.56 0.00 0.00 56.30 55.65 1wsj h ASN 84 Cb 0.21 -0.21 -0.05 0.00 -1.06 0.00 0.00 38.32 37.21 1wsj h ASN 84 CO -0.08 0.74 -0.25 -0.50 -1.06 0.00 0.00 177.43 176.29 1wsj h TRP 85 N 0.81 -0.66 -0.25 1.19 6.55 -1.03 -0.43 115.95 122.13 1wsj h TRP 85 Ca 0.20 0.03 0.06 0.00 0.95 0.00 0.00 58.89 60.13 1wsj h TRP 85 Cb 0.17 0.31 -0.06 0.00 -0.86 0.00 0.00 29.16 28.72 1wsj h TRP 85 CO 0.01 -0.33 -0.15 0.87 -1.05 0.00 0.00 178.44 177.79 1wsj h LYS 86 N -0.33 -0.13 -0.61 0.49 1.57 -1.24 0.39 116.57 116.71 1wsj h LYS 86 Ca 0.09 0.01 0.15 0.00 -1.87 0.00 0.00 60.65 59.03 1wsj h LYS 86 Cb 0.46 0.03 -0.03 0.00 0.08 0.00 0.00 32.23 32.77 1wsj h LYS 86 CO -0.28 -0.08 0.43 0.00 -0.57 0.00 0.00 179.45 178.94 1wsj h ALA 87 N 1.04 2.37 -0.98 3.86 0.00 -0.67 -1.06 119.26 123.83 1wsj h ALA 87 Ca 0.14 -0.01 -0.54 0.00 0.00 0.00 0.00 54.91 54.49 1wsj h ALA 87 Cb 0.34 0.00 -0.30 0.00 0.00 0.00 0.00 17.79 17.83 1wsj h ALA 87 CO -0.33 -0.53 0.67 0.54 0.00 0.00 0.00 179.25 179.60 1wsj n ARG 88 N -4.41 2.33 -3.00 0.00 1.74 -0.23 -4.90 116.66 108.19 1wsj n ARG 88 Ca 0.11 -3.07 -0.22 0.00 -0.77 0.00 0.00 57.85 53.90 1wsj n ARG 88 Cb 0.58 -2.19 0.02 0.00 -1.02 0.00 0.00 32.46 29.85 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 -1.10 -0.51 2.87 -0.13 0.00 -0.40 -2.96 105.19 102.95 1wsj n GLY 89 Ca 0.60 0.10 -0.11 0.00 0.00 0.00 0.00 46.02 46.60 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 -4.24 -1.95 -3.92 1.61 7.02 0.12 -4.99 117.44 111.08 1wsj n TRP 90 Ca -0.10 0.68 -0.09 0.00 -1.02 0.00 0.00 57.50 56.97 1wsj n TRP 90 Cb 0.61 -3.77 -0.08 0.00 -2.42 0.00 0.00 31.31 25.64 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 -4.06 0.71 0.91 -0.99 1.02 -1.16 -4.33 119.74 111.85 1wsj s LYS 91 Ca 0.35 -0.93 -0.14 0.00 0.02 0.00 0.00 55.97 55.28 1wsj s LYS 91 Cb -0.05 0.28 0.18 0.00 -0.52 0.00 0.00 37.83 37.72 1wsj s LYS 91 CO 0.58 -0.19 1.27 0.95 -0.92 0.00 0.00 175.35 177.03 1wsj s THR 92 N -3.41 2.02 0.00 2.17 -4.23 -0.65 -4.53 115.64 107.01 1wsj s THR 92 Ca 0.02 -0.08 0.00 0.00 -1.18 0.00 0.00 61.69 60.45 1wsj s THR 92 Cb 0.03 -2.95 0.00 0.00 1.34 0.00 0.00 72.50 70.93 1wsj s THR 92 CO -0.08 0.00 0.91 0.00 -0.54 0.00 0.00 174.62 174.90 1wsj n ALA 93 N -3.60 2.57 -2.54 3.99 0.00 -1.26 -2.73 120.51 116.94 1wsj n ALA 93 Ca 0.14 0.00 -0.01 0.00 0.00 0.00 0.00 53.44 53.58 1wsj n ALA 93 Cb 0.60 -1.24 0.00 0.00 0.00 0.00 0.00 19.45 18.81 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 1.28 -0.33 -3.12 0.00 5.68 -1.26 -5.07 116.55 113.72 1wsj n ASP 94 Ca 0.00 -1.21 -0.00 0.00 -0.50 0.00 0.00 54.79 53.08 1wsj n ASP 94 Cb 0.29 0.26 -0.00 0.00 -1.14 0.00 0.00 41.12 40.53 1wsj n ASP 94 CO 0.00 0.00 0.00 0.29 -1.33 0.00 0.00 177.20 176.16 1wsj n LYS 95 N -0.22 -0.77 -3.64 0.11 4.76 -1.10 -5.03 118.16 112.26 1wsj n LYS 95 Ca -0.07 1.07 -0.05 0.00 -2.87 0.00 0.00 58.31 56.39 1wsj n LYS 95 Cb 0.55 -1.55 -0.07 0.00 -1.84 0.00 0.00 35.03 32.13 1wsj n LYS 95 CO 0.00 0.00 0.00 0.21 -1.37 0.00 0.00 177.40 176.24 1wsj s LYS 96 N -1.01 0.41 0.22 1.97 2.36 -1.26 -4.92 119.74 117.51 1wsj s LYS 96 Ca -0.00 0.59 -0.32 0.00 -2.55 0.00 0.00 55.97 53.69 1wsj s LYS 96 Cb 0.00 0.15 -0.14 0.00 -1.05 0.00 0.00 37.83 36.79 1wsj s LYS 96 CO 0.11 -0.07 1.40 -2.30 1.55 0.00 0.00 175.35 176.04 1wsj n PRO 97 N 2.91 1.93 -2.73 4.03 -0.02 -1.26 -1.63 135.00 138.23 1wsj n PRO 97 Ca -0.15 0.69 -0.40 0.00 -2.02 0.00 0.00 63.50 61.61 1wsj n PRO 97 Cb 0.57 -2.34 -0.05 0.00 -0.02 0.00 0.00 33.50 31.66 1wsj n PRO 97 CO 0.00 0.00 0.00 0.14 1.98 0.00 0.00 175.50 177.62 1wsj s VAL 98 N 0.05 4.18 0.30 -1.45 -7.23 -1.26 -4.83 120.40 110.17 1wsj s VAL 98 Ca 0.70 2.05 -0.30 0.00 -1.81 0.00 0.00 61.98 62.63 1wsj s VAL 98 Cb -0.68 -4.31 -0.11 0.00 0.56 0.00 0.00 36.38 31.84 1wsj s VAL 98 CO 0.48 0.43 1.54 -0.54 -0.31 0.00 0.00 175.10 176.71 1wsj s LYS 99 N -0.79 4.15 -1.89 4.82 -0.14 -1.26 -2.27 119.74 122.36 1wsj s LYS 99 Ca 0.43 2.53 0.00 0.00 -1.36 0.00 0.00 55.97 57.57 1wsj s LYS 99 Cb -0.25 -3.03 0.00 0.00 -1.68 0.00 0.00 37.83 32.87 1wsj s LYS 99 CO 0.32 -0.57 0.00 0.09 -0.76 0.00 0.00 175.35 174.43 1wsj n ASN 100 N 1.81 -5.75 -0.21 2.83 3.02 -1.26 -4.88 115.26 110.81 1wsj n ASN 100 Ca 0.06 0.14 0.23 0.00 -0.03 0.00 0.00 54.58 54.97 1wsj n ASN 100 Cb 0.38 -4.85 0.59 0.00 -0.61 0.00 0.00 39.78 35.30 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 0.00 0.63 -0.23 2.41 3.04 -1.86 -0.31 116.25 119.93 1wsj h VAL 101 Ca -0.47 -0.08 0.01 0.00 -1.01 0.00 0.00 66.70 65.14 1wsj h VAL 101 Cb 1.36 0.36 -0.01 0.00 -2.01 0.00 0.00 31.29 30.98 1wsj h VAL 101 CO 0.59 0.05 0.14 -2.24 -1.01 0.00 0.00 177.57 175.09 1wsj h ASP 102 N 0.25 0.22 -0.10 3.17 2.03 -1.90 -1.02 116.42 119.09 1wsj h ASP 102 Ca 0.45 -0.00 -0.18 0.00 -0.73 0.00 0.00 57.03 56.57 1wsj h ASP 102 Cb 1.37 -0.05 -0.00 0.00 -0.83 0.00 0.00 39.33 39.82 1wsj h ASP 102 CO -0.12 0.17 -0.61 -0.07 -1.03 0.00 0.00 179.24 177.58 1wsj h LEU 103 N 0.28 0.80 -0.80 0.15 3.38 -1.50 -2.60 115.31 115.02 1wsj h LEU 103 Ca 0.09 -0.45 -0.04 0.00 0.09 0.00 0.00 57.88 57.56 1wsj h LEU 103 Cb -0.01 -0.23 -0.04 0.00 0.09 0.00 0.00 40.66 40.47 1wsj h LEU 103 CO -0.04 1.22 0.34 -0.50 0.09 0.00 0.00 178.44 179.55 1wsj h TRP 104 N 0.52 1.20 -0.58 1.13 4.06 -1.09 0.14 115.95 121.34 1wsj h TRP 104 Ca -0.00 -0.08 -0.07 0.00 2.06 0.00 0.00 58.89 60.79 1wsj h TRP 104 Cb 1.20 -0.36 -0.02 0.00 -1.00 0.00 0.00 29.16 28.97 1wsj h TRP 104 CO 0.06 0.90 0.07 1.96 -3.56 0.00 0.00 178.44 177.87 1wsj h GLN 105 N 1.16 0.97 -0.50 0.49 4.20 -1.16 0.12 115.11 120.39 1wsj h GLN 105 Ca 0.27 -0.27 -0.04 0.00 0.06 0.00 0.00 58.65 58.67 1wsj h GLN 105 Cb 0.19 -0.11 -0.02 0.00 0.30 0.00 0.00 27.48 27.84 1wsj h GLN 105 CO -0.03 0.93 0.14 -0.09 -0.67 0.00 0.00 178.83 179.12 1wsj h ARG 106 N 0.86 0.79 -0.35 1.46 2.43 -1.11 -0.63 114.38 117.82 1wsj h ARG 106 Ca 0.17 -0.18 -0.03 0.00 -0.81 0.00 0.00 59.98 59.13 1wsj h ARG 106 Cb 0.45 -0.11 -0.01 0.00 -0.42 0.00 0.00 29.97 29.87 1wsj h ARG 106 CO 0.02 0.74 0.10 1.25 -1.51 0.00 0.00 179.97 180.57 1wsj h LEU 107 N 0.68 0.52 -0.76 3.80 5.85 -0.44 -1.97 115.31 123.00 1wsj h LEU 107 Ca 0.16 -0.22 0.06 0.00 0.84 0.00 0.00 57.88 58.73 1wsj h LEU 107 Cb 0.30 -0.14 -0.06 0.00 0.37 0.00 0.00 40.66 41.13 1wsj h LEU 107 CO -0.00 0.60 0.45 -0.78 -0.34 0.00 0.00 178.44 178.36 1wsj h ASP 108 N 0.41 0.68 -0.34 1.25 1.82 -0.55 -0.56 116.42 119.14 1wsj h ASP 108 Ca 0.11 0.03 -0.00 0.00 -0.39 0.00 0.00 57.03 56.78 1wsj h ASP 108 Cb 0.27 -0.11 -0.02 0.00 0.68 0.00 0.00 39.33 40.15 1wsj h ASP 108 CO -0.00 0.43 0.20 0.00 -1.61 0.00 0.00 179.24 178.27 1wsj h ALA 109 N 1.38 0.43 -0.34 -0.78 0.00 -0.79 -2.59 119.26 116.56 1wsj h ALA 109 Ca 0.34 -0.05 -0.09 0.00 0.00 0.00 0.00 54.91 55.10 1wsj h ALA 109 Cb 0.19 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.83 1wsj h ALA 109 CO -0.18 -0.08 -0.17 0.00 0.00 0.00 0.00 179.25 178.82 1wsj h ALA 110 N 1.09 1.06 0.00 0.00 0.00 -0.82 -2.87 119.26 117.72 1wsj h ALA 110 Ca 0.12 -0.32 -0.06 0.00 0.00 0.00 0.00 54.91 54.65 1wsj h ALA 110 Cb 0.00 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.64 1wsj h ALA 110 CO -0.02 0.57 -0.29 -0.07 0.00 0.00 0.00 179.25 179.43 1wsj h LEU 111 N 0.56 0.00 0.00 0.00 3.38 -0.95 -2.43 115.31 115.87 1wsj h LEU 111 Ca 0.09 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.06 1wsj h LEU 111 Cb 0.61 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.36 1wsj h LEU 111 CO 0.04 0.29 0.00 0.61 0.09 0.00 0.00 178.44 179.48 1wsj n GLY 112 N -0.68 -0.94 0.49 0.83 0.00 -0.99 -2.64 105.19 101.26 1wsj n GLY 112 Ca -0.02 -0.12 0.12 0.00 0.00 0.00 0.00 46.02 46.00 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 -1.20 1.34 -4.14 1.61 1.13 -0.92 -4.98 117.38 110.22 1wsj n GLN 113 Ca 0.13 -0.98 -0.11 0.00 -1.94 0.00 0.00 57.00 54.10 1wsj n GLN 113 Cb 0.15 -1.48 -0.09 0.00 0.11 0.00 0.00 30.24 28.93 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 -2.34 0.93 -0.37 1.08 3.76 -1.08 -4.33 115.29 112.94 1wsj s HIS 114 Ca 0.25 -1.19 -0.17 0.00 -0.15 0.00 0.00 55.06 53.80 1wsj s HIS 114 Cb 0.19 -0.34 -0.00 0.00 1.11 0.00 0.00 32.58 33.54 1wsj s HIS 114 CO 0.48 -0.74 0.43 -0.65 -0.85 0.00 0.00 174.74 173.41 1wsj s GLN 115 N -4.12 3.47 -0.11 1.40 -0.21 -0.25 -4.96 119.66 114.88 1wsj s GLN 115 Ca 0.34 -0.41 -0.03 0.00 0.02 0.00 0.00 55.36 55.28 1wsj s GLN 115 Cb 0.05 -3.85 -0.03 0.00 1.00 0.00 0.00 33.01 30.18 1wsj s GLN 115 CO 0.11 -0.65 -0.00 0.42 -2.12 0.00 0.00 175.29 173.05 1wsj s ILE 116 N 2.19 4.28 -0.21 1.08 -1.09 -1.26 0.20 121.20 126.38 1wsj s ILE 116 Ca 0.14 -0.25 -0.02 0.00 -2.23 0.00 0.00 60.65 58.30 1wsj s ILE 116 Cb -0.16 -2.83 0.06 0.00 -1.58 0.00 0.00 42.46 37.95 1wsj s ILE 116 CO 0.13 0.57 0.01 -0.75 -1.23 0.00 0.00 174.94 173.67 1wsj s LYS 117 N -0.52 0.94 0.17 2.79 2.20 -0.13 -4.96 119.74 120.23 1wsj s LYS 117 Ca 0.09 -0.63 -0.26 0.00 -0.36 0.00 0.00 55.97 54.81 1wsj s LYS 117 Cb -0.12 -2.25 -0.08 0.00 -1.51 0.00 0.00 37.83 33.87 1wsj s LYS 117 CO 0.02 -0.65 0.81 -1.58 -0.36 0.00 0.00 175.35 173.59 1wsj s TRP 118 N 1.71 3.91 -0.31 4.03 0.52 -1.26 -1.57 118.94 125.97 1wsj s TRP 118 Ca -0.02 1.68 0.01 0.00 0.02 0.00 0.00 56.10 57.80 1wsj s TRP 118 Cb -0.18 -2.81 0.09 0.00 -1.15 0.00 0.00 33.47 29.42 1wsj s TRP 118 CO -0.08 0.49 0.05 -2.00 0.02 0.00 0.00 176.95 175.43 1wsj s GLU 119 N -1.08 1.19 -0.29 4.98 2.12 0.08 -4.93 118.70 120.77 1wsj s GLU 119 Ca 0.37 -1.38 -0.29 0.00 0.36 0.00 0.00 54.97 54.03 1wsj s GLU 119 Cb -0.24 -2.59 0.01 0.00 0.26 0.00 0.00 34.13 31.58 1wsj s GLU 119 CO 0.27 -0.89 1.08 -1.58 -0.54 0.00 0.00 175.26 173.60 1wsj s TRP 120 N 1.29 3.17 0.45 5.30 0.52 -1.26 -2.55 118.94 125.86 1wsj s TRP 120 Ca 0.07 1.25 0.07 0.00 0.02 0.00 0.00 56.10 57.52 1wsj s TRP 120 Cb -0.18 -3.58 -0.00 0.00 -1.15 0.00 0.00 33.47 28.55 1wsj s TRP 120 CO -0.15 -0.76 0.42 0.14 0.02 0.00 0.00 176.95 176.63 1wsj s VAL 121 N 3.56 2.47 0.29 4.03 -7.23 -0.80 -4.98 120.40 117.73 1wsj s VAL 121 Ca 0.46 -1.32 0.04 0.00 -1.81 0.00 0.00 61.98 59.34 1wsj s VAL 121 Cb -0.13 -2.79 -0.06 0.00 0.56 0.00 0.00 36.38 33.96 1wsj s VAL 121 CO 0.13 0.00 0.03 -0.54 -0.31 0.00 0.00 175.10 174.41 1wsj s LYS 122 N -4.21 1.54 0.00 4.82 -0.14 -1.26 -4.33 119.74 116.16 1wsj s LYS 122 Ca 0.47 -1.82 0.05 0.00 -1.36 0.00 0.00 55.97 53.31 1wsj s LYS 122 Cb -0.04 -0.81 0.23 0.00 -1.68 0.00 0.00 37.83 35.54 1wsj s LYS 122 CO 0.28 -0.13 0.95 0.41 -0.76 0.00 0.00 175.35 176.10 1wsj n GLY 123 N -0.59 -0.41 3.54 -3.33 0.00 -1.26 -4.67 105.19 98.47 1wsj n GLY 123 Ca -0.03 -0.02 -0.51 0.00 0.00 0.00 0.00 46.02 45.46 1wsj n GLY 123 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1wsj n ALA 124 N -1.26 0.89 -1.21 4.61 0.00 -1.26 -4.83 120.51 117.45 1wsj n ALA 124 Ca 0.02 0.06 -0.39 0.00 0.00 0.00 0.00 53.44 53.14 1wsj n ALA 124 Cb 0.03 -2.51 0.00 0.00 0.00 0.00 0.00 19.45 16.97 1wsj n ALA 124 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1wsj n ALA 125 N 8.68 -2.92 0.00 0.00 0.00 -1.26 -4.27 120.51 120.73 1wsj n ALA 125 Ca 0.35 0.06 0.00 0.00 0.00 0.00 0.00 53.44 53.85 1wsj n ALA 125 Cb 0.24 -1.37 0.00 0.00 0.00 0.00 0.00 19.45 18.32 1wsj n ALA 125 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1wsj n GLY 126 N 2.25 1.73 2.28 0.00 0.00 -1.26 -5.06 105.19 105.13 1wsj n GLY 126 Ca 0.10 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.87 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 -0.12 0.99 -0.12 1.61 -0.00 -1.26 -4.94 115.22 111.39 1wsj n HIS 127 Ca 0.00 -3.77 -0.04 0.00 -0.00 0.00 0.00 57.72 53.92 1wsj n HIS 127 Cb 0.00 -0.42 0.17 0.00 -0.00 0.00 0.00 29.99 29.74 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 3.98 0.81 -0.75 -0.41 0.11 -1.97 -2.96 132.00 130.81 1wsj h PRO 128 Ca 0.11 -0.19 -0.05 0.00 0.11 0.00 0.00 66.00 65.98 1wsj h PRO 128 Cb 0.81 -0.11 -0.03 0.00 0.11 0.00 0.00 31.00 31.78 1wsj h PRO 128 CO 0.59 0.78 0.27 0.93 -0.21 0.00 0.00 178.00 180.35 1wsj h GLU 129 N 0.77 1.14 -0.02 1.05 3.07 -1.99 -1.15 114.58 117.45 1wsj h GLU 129 Ca 0.16 -0.23 -0.10 0.00 -0.50 0.00 0.00 59.36 58.69 1wsj h GLU 129 Cb 0.38 -0.17 -0.01 0.00 -0.84 0.00 0.00 28.75 28.10 1wsj h GLU 129 CO 0.01 0.95 -0.47 -0.91 -1.40 0.00 0.00 179.01 177.19 1wsj h ASN 130 N 1.09 0.06 0.52 1.42 4.21 -1.92 0.81 115.58 121.78 1wsj h ASN 130 Ca 0.25 -0.03 -0.17 0.00 1.21 0.00 0.00 56.30 57.56 1wsj h ASN 130 Cb 0.26 -0.02 -0.01 0.00 -1.12 0.00 0.00 38.32 37.43 1wsj h ASN 130 CO -0.01 0.52 -0.73 -0.33 -1.29 0.00 0.00 177.43 175.59 1wsj h GLU 131 N 0.05 0.17 -0.19 0.81 5.08 -1.33 -1.92 114.58 117.25 1wsj h GLU 131 Ca -0.00 -0.15 -0.14 0.00 -1.00 0.00 0.00 59.36 58.08 1wsj h GLU 131 Cb 0.84 0.03 -0.01 0.00 0.50 0.00 0.00 28.75 30.12 1wsj h GLU 131 CO 0.06 0.82 -0.45 0.00 -1.00 0.00 0.00 179.01 178.45 1wsj h ARG 132 N 0.11 0.48 -0.65 2.33 3.08 -0.50 -1.86 114.38 117.38 1wsj h ARG 132 Ca -0.02 -0.26 -0.06 0.00 0.07 0.00 0.00 59.98 59.71 1wsj h ARG 132 Cb 1.29 0.01 -0.03 0.00 0.08 0.00 0.00 29.97 31.32 1wsj h ARG 132 CO 0.11 0.84 0.17 0.00 -1.07 0.00 0.00 179.97 180.01 1wsj h ASP 134 N 0.97 0.71 -0.34 0.00 3.45 -1.08 -0.96 116.42 119.18 1wsj h ASP 134 Ca 0.21 -0.18 0.03 0.00 0.43 0.00 0.00 57.03 57.51 1wsj h ASP 134 Cb 0.33 -0.18 -0.03 0.00 -0.56 0.00 0.00 39.33 38.88 1wsj h ASP 134 CO -0.00 0.70 0.14 -0.33 -1.57 0.00 0.00 179.24 178.18 1wsj h GLU 135 N 0.67 0.30 -0.49 3.56 5.08 -0.91 0.17 114.58 122.95 1wsj h GLU 135 Ca 0.16 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.51 1wsj h GLU 135 Cb 0.23 -0.07 -0.02 0.00 0.50 0.00 0.00 28.75 29.39 1wsj h GLU 135 CO -0.01 0.20 0.31 -0.07 -1.00 0.00 0.00 179.01 178.44 1wsj h LEU 136 N 0.31 0.58 -0.47 1.33 3.38 -1.04 -0.78 115.31 118.61 1wsj h LEU 136 Ca 0.15 -0.04 -0.07 0.00 0.09 0.00 0.00 57.88 58.01 1wsj h LEU 136 Cb 0.09 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 40.67 1wsj h LEU 136 CO -0.12 0.45 0.02 0.00 0.09 0.00 0.00 178.44 178.87 1wsj h ALA 137 N 1.16 0.63 -0.39 1.53 0.00 -0.85 0.01 119.26 121.36 1wsj h ALA 137 Ca 0.18 -0.27 -0.05 0.00 0.00 0.00 0.00 54.91 54.77 1wsj h ALA 137 Cb -0.04 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.56 1wsj h ALA 137 CO -0.04 0.41 0.05 0.00 0.00 0.00 0.00 179.25 179.68 1wsj h ARG 138 N 0.67 0.65 -0.80 0.00 3.08 -0.54 -1.18 114.38 116.26 1wsj h ARG 138 Ca 0.14 -0.18 -0.02 0.00 0.07 0.00 0.00 59.98 59.98 1wsj h ARG 138 Cb 0.48 -0.07 -0.04 0.00 0.08 0.00 0.00 29.97 30.42 1wsj h ARG 138 CO 0.02 0.71 0.42 0.00 -1.07 0.00 0.00 179.97 180.06 1wsj h ALA 139 N 0.91 1.02 -0.56 0.04 0.00 -1.02 -2.31 119.26 117.33 1wsj h ALA 139 Ca 0.12 -0.13 -0.02 0.00 0.00 0.00 0.00 54.91 54.87 1wsj h ALA 139 Cb 0.39 -0.32 -0.03 0.00 0.00 0.00 0.00 17.79 17.84 1wsj h ALA 139 CO 0.01 0.55 0.27 0.00 0.00 0.00 0.00 179.25 180.08 1wsj h ALA 140 N 1.22 0.72 -0.19 0.00 0.00 -0.70 -2.45 119.26 117.86 1wsj h ALA 140 Ca 0.28 -0.13 -0.02 0.00 0.00 0.00 0.00 54.91 55.04 1wsj h ALA 140 Cb 0.06 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.62 1wsj h ALA 140 CO -0.04 0.29 0.02 0.00 0.00 0.00 0.00 179.25 179.51 1wsj h ALA 141 N 1.10 1.68 0.00 0.00 0.00 -0.89 -0.78 119.26 120.37 1wsj h ALA 141 Ca 0.19 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 55.00 1wsj h ALA 141 Cb 0.12 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.82 1wsj h ALA 141 CO -0.02 0.25 0.00 -1.33 0.00 0.00 0.00 179.25 178.14 1wsj n MET 142 N -4.39 0.01 -2.88 0.00 2.81 -0.90 -3.71 117.12 108.06 1wsj n MET 142 Ca -0.00 0.25 -0.12 0.00 -1.81 0.00 0.00 57.70 56.02 1wsj n MET 142 Cb 0.17 -1.50 0.04 0.00 -0.71 0.00 0.00 33.22 31.22 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 -1.49 -0.69 -4.68 7.83 2.85 -0.33 -5.11 115.26 113.65 1wsj n ASN 143 Ca 0.04 -3.16 -0.44 0.00 -0.11 0.00 0.00 54.58 50.91 1wsj n ASN 143 Cb 0.16 0.60 -0.02 0.00 1.24 0.00 0.00 39.78 41.76 1wsj n ASN 143 CO 0.00 0.00 0.00 -0.81 -2.11 0.00 0.00 177.26 174.34 1wsj n PRO 144 N 0.14 2.12 0.00 1.20 -0.04 -1.00 -4.74 135.00 132.68 1wsj n PRO 144 Ca 0.12 0.75 0.00 0.00 -0.04 0.00 0.00 63.50 64.33 1wsj n PRO 144 Cb 0.72 -2.41 0.00 0.00 -0.04 0.00 0.00 33.50 31.77 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 1.70 0.00 -4.46 0.52 -2.24 -0.81 -4.80 114.28 104.18 1wsj n THR 145 Ca 0.10 -0.33 -0.22 0.00 -2.27 0.00 0.00 64.05 61.33 1wsj n THR 145 Cb 0.33 1.28 -0.10 0.00 -2.10 0.00 0.00 70.33 69.73 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 -0.22 2.47 -0.09 3.22 1.43 -0.82 -5.01 118.68 119.66 1wsj s LEU 146 Ca 0.00 -1.26 0.01 0.00 -1.03 0.00 0.00 54.13 51.86 1wsj s LEU 146 Cb 0.00 -0.62 -0.02 0.00 0.03 0.00 0.00 46.19 45.58 1wsj s LEU 146 CO 0.00 -0.41 -0.13 -0.70 0.23 0.00 0.00 176.35 175.33 1wsj s GLU 147 N -3.76 3.00 -1.20 1.70 2.12 -1.26 -1.03 118.70 118.26 1wsj s GLU 147 Ca 0.32 -0.69 -0.16 0.00 0.36 0.00 0.00 54.97 54.80 1wsj s GLU 147 Cb 0.06 -2.52 0.13 0.00 0.26 0.00 0.00 34.13 32.05 1wsj s GLU 147 CO 0.14 0.40 1.51 0.34 -0.54 0.00 0.00 175.26 177.10 1wsj s ASP 148 N -0.13 6.93 0.45 -1.70 3.68 -1.26 -4.84 116.67 119.79 1wsj s ASP 148 Ca -0.01 -2.66 0.24 0.00 2.13 0.00 0.00 52.55 52.25 1wsj s ASP 148 Cb -0.14 -2.47 1.24 0.00 -1.45 0.00 0.00 42.92 40.10 1wsj s ASP 148 CO 0.03 -0.95 1.80 0.00 0.13 0.00 0.00 175.17 176.18 1wsj h THR 149 N 5.17 0.52 -0.01 1.71 1.03 -1.96 -0.87 112.91 118.51 1wsj h THR 149 Ca 0.34 -0.09 0.00 0.00 -0.01 0.00 0.00 66.41 66.65 1wsj h THR 149 Cb 0.89 0.23 0.00 0.00 -1.07 0.00 0.00 68.15 68.20 1wsj h THR 149 CO 1.31 0.05 -0.03 0.61 -0.01 0.00 0.00 175.52 177.46 1wsj n GLY 150 N -1.57 -0.70 3.69 2.99 0.00 -1.26 -4.88 105.19 103.47 1wsj n GLY 150 Ca 0.24 -0.29 -0.42 0.00 0.00 0.00 0.00 46.02 45.55 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 -2.13 3.03 -0.05 1.61 6.14 -0.33 -4.98 117.35 120.63 1wsj s TYR 151 Ca 0.40 0.97 0.06 0.00 0.64 0.00 0.00 57.07 59.14 1wsj s TYR 151 Cb 0.21 -3.59 -0.01 0.00 0.42 0.00 0.00 41.96 38.99 1wsj s TYR 151 CO 0.39 -2.08 -0.24 -0.65 0.64 0.00 0.00 175.55 173.61 1wsj s GLN 152 N 2.05 2.40 0.00 4.97 1.11 -1.26 -5.09 119.66 123.84 1wsj s GLN 152 Ca 0.62 -0.87 0.00 0.00 0.01 0.00 0.00 55.36 55.12 1wsj s GLN 152 Cb -0.30 -2.07 0.00 0.00 -1.01 0.00 0.00 33.01 29.63 1wsj s GLN 152 CO 0.26 0.39 0.41 0.28 0.01 0.00 0.00 175.29 176.64