#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 3.63 0.25 3.17 1.43 -1.26 -5.04 118.68 120.85 1wsj s LEU 2 Ca 0.00 0.75 -0.30 0.00 -1.03 0.00 0.00 54.13 53.55 1wsj s LEU 2 Cb 0.00 -3.66 -0.09 0.00 0.03 0.00 0.00 46.19 42.47 1wsj s LEU 2 CO 0.00 -0.63 1.04 -0.54 0.23 0.00 0.00 176.35 176.45 1wsj s LYS 3 N -4.70 4.71 -0.31 1.70 1.02 -1.26 -4.83 119.74 116.07 1wsj s LYS 3 Ca 0.47 1.67 -0.07 0.00 0.02 0.00 0.00 55.97 58.06 1wsj s LYS 3 Cb -0.10 -3.24 0.02 0.00 -0.52 0.00 0.00 37.83 33.98 1wsj s LYS 3 CO 0.43 0.30 0.10 -1.14 -0.92 0.00 0.00 175.35 174.12 1wsj s GLN 4 N -1.15 2.98 -0.08 1.68 0.74 -1.26 -1.01 119.66 121.56 1wsj s GLN 4 Ca 0.44 -0.94 0.01 0.00 0.05 0.00 0.00 55.36 54.92 1wsj s GLN 4 Cb -0.29 -3.43 -0.03 0.00 1.10 0.00 0.00 33.01 30.36 1wsj s GLN 4 CO 0.37 -0.51 -0.08 0.08 -0.55 0.00 0.00 175.29 174.59 1wsj s VAL 5 N 1.49 3.55 -0.08 1.34 1.01 0.56 -4.79 120.40 123.48 1wsj s VAL 5 Ca 0.02 -0.53 -0.17 0.00 0.00 0.00 0.00 61.98 61.30 1wsj s VAL 5 Cb -0.18 -2.45 -0.05 0.00 0.00 0.00 0.00 36.38 33.70 1wsj s VAL 5 CO 0.03 0.58 0.44 -1.61 0.00 0.00 0.00 175.10 174.54 1wsj s GLU 6 N -0.56 4.20 -0.05 2.72 2.02 -0.31 -0.95 118.70 125.77 1wsj s GLU 6 Ca 0.08 0.42 0.03 0.00 0.02 0.00 0.00 54.97 55.53 1wsj s GLU 6 Cb -0.12 -3.36 0.00 0.00 0.10 0.00 0.00 34.13 30.76 1wsj s GLU 6 CO 0.02 0.35 -0.14 0.42 0.02 0.00 0.00 175.26 175.93 1wsj s ILE 7 N 0.01 1.19 -0.07 -1.63 1.01 0.01 -0.16 121.20 121.57 1wsj s ILE 7 Ca 0.25 -0.56 0.04 0.00 0.00 0.00 0.00 60.65 60.38 1wsj s ILE 7 Cb -0.16 -1.05 -0.00 0.00 0.01 0.00 0.00 42.46 41.27 1wsj s ILE 7 CO 0.11 0.36 -0.20 -0.36 0.00 0.00 0.00 174.94 174.84 1wsj s PHE 8 N 0.28 2.10 0.02 3.97 0.08 -0.42 0.23 117.98 124.24 1wsj s PHE 8 Ca -0.07 -0.73 -0.00 0.00 0.12 0.00 0.00 56.93 56.24 1wsj s PHE 8 Cb -0.12 -1.42 -0.02 0.00 -0.57 0.00 0.00 43.02 40.89 1wsj s PHE 8 CO 0.02 -0.28 -0.02 0.95 -0.10 0.00 0.00 175.22 175.79 1wsj s THR 9 N 0.21 0.12 -0.04 0.64 -4.23 -0.81 -1.18 115.64 110.35 1wsj s THR 9 Ca -0.11 -1.00 -0.30 0.00 -1.18 0.00 0.00 61.69 59.10 1wsj s THR 9 Cb -0.15 -0.40 0.08 0.00 1.34 0.00 0.00 72.50 73.37 1wsj s THR 9 CO 0.05 -0.55 0.72 -0.62 -0.54 0.00 0.00 174.62 173.68 1wsj s ASP 10 N -1.62 -0.60 0.05 3.99 3.68 -0.51 -4.35 116.67 117.31 1wsj s ASP 10 Ca -0.13 0.58 -0.00 0.00 2.13 0.00 0.00 52.55 55.13 1wsj s ASP 10 Cb -0.08 0.51 -0.03 0.00 -1.45 0.00 0.00 42.92 41.86 1wsj s ASP 10 CO -0.02 -0.61 -0.04 -0.83 0.13 0.00 0.00 175.17 173.80 1wsj s GLY 11 N -1.37 0.47 0.19 2.66 0.00 -1.26 -1.12 107.32 106.89 1wsj s GLY 11 Ca -0.08 -1.05 -0.17 0.00 0.00 0.00 0.00 44.72 43.42 1wsj s GLY 11 CO 0.06 -1.15 0.50 -1.35 0.00 0.00 0.00 173.10 171.16 1wsj s SER 12 N -2.48 -0.24 -0.15 1.64 1.04 -0.66 -4.66 113.70 108.19 1wsj s SER 12 Ca 0.01 -0.50 -0.14 0.00 0.48 0.00 0.00 55.95 55.80 1wsj s SER 12 Cb 0.02 0.56 0.04 0.00 0.10 0.00 0.00 66.02 66.74 1wsj s SER 12 CO -0.06 -1.03 0.40 0.00 0.98 0.00 0.00 173.24 173.52 1wsj n LEU 14 N 2.84 0.00 0.00 0.00 4.77 0.08 -4.85 117.00 119.84 1wsj n LEU 14 Ca -0.13 0.38 -0.00 0.00 -0.03 0.00 0.00 56.01 56.23 1wsj n LEU 14 Cb 0.57 -0.38 0.00 0.00 -2.33 0.00 0.00 43.42 41.28 1wsj n LEU 14 CO 0.13 -0.06 0.06 0.61 -1.33 0.00 0.00 177.39 176.80 1wsj n GLY 15 N 0.92 1.37 2.43 -0.72 0.00 -1.26 -4.92 105.19 103.01 1wsj n GLY 15 Ca 0.09 -0.95 -0.27 0.00 0.00 0.00 0.00 46.02 44.89 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 -1.18 1.73 0.81 1.61 2.47 -1.26 -3.63 114.94 115.50 1wsj s ASN 16 Ca 0.02 -3.08 -0.06 0.00 0.42 0.00 0.00 52.86 50.15 1wsj s ASN 16 Cb -0.00 -0.52 0.16 0.00 -1.45 0.00 0.00 41.25 39.44 1wsj s ASN 16 CO 0.00 -0.17 1.12 -2.16 -3.72 0.00 0.00 177.10 172.17 1wsj s PRO 17 N -0.00 1.27 0.00 0.43 0.04 -1.26 -5.09 135.00 130.39 1wsj s PRO 17 Ca 0.32 -0.88 0.00 0.00 0.04 0.00 0.00 61.00 60.48 1wsj s PRO 17 Cb 0.02 -2.15 0.00 0.00 0.04 0.00 0.00 34.50 32.41 1wsj s PRO 17 CO -0.19 -1.82 0.00 0.41 0.04 0.00 0.00 177.00 175.44 1wsj n GLY 18 N -3.18 -1.20 3.76 0.56 0.00 -0.83 -4.92 105.19 99.37 1wsj n GLY 18 Ca 0.15 -0.99 -0.38 0.00 0.00 0.00 0.00 46.02 44.80 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 -1.65 3.46 0.31 1.61 0.02 -1.20 -0.80 135.00 136.75 1wsj s PRO 19 Ca 0.00 2.02 -0.13 0.00 0.02 0.00 0.00 61.00 62.91 1wsj s PRO 19 Cb 0.00 -2.35 0.02 0.00 0.02 0.00 0.00 34.50 32.19 1wsj s PRO 19 CO 0.00 -0.86 0.60 0.20 -0.33 0.00 0.00 177.00 176.61 1wsj s GLY 20 N -1.13 0.57 0.23 0.52 0.00 -0.66 -0.74 107.32 106.11 1wsj s GLY 20 Ca 0.67 -0.87 -0.22 0.00 0.00 0.00 0.00 44.72 44.30 1wsj s GLY 20 CO 0.42 -0.52 0.90 -0.32 0.00 0.00 0.00 173.10 173.57 1wsj s GLY 21 N -3.06 -0.01 0.22 0.20 0.00 -0.50 -0.23 107.32 103.94 1wsj s GLY 21 Ca 0.20 -0.24 0.04 0.00 0.00 0.00 0.00 44.72 44.73 1wsj s GLY 21 CO 0.12 0.45 -0.04 -2.52 0.00 0.00 0.00 173.10 171.11 1wsj s TYR 22 N -2.98 1.56 -0.10 1.90 -0.85 -0.89 -1.66 117.35 114.33 1wsj s TYR 22 Ca 0.15 -0.83 -0.07 0.00 -0.52 0.00 0.00 57.07 55.80 1wsj s TYR 22 Cb -0.03 -0.87 0.04 0.00 0.38 0.00 0.00 41.96 41.48 1wsj s TYR 22 CO 0.06 0.06 0.25 0.20 -1.52 0.00 0.00 175.55 174.60 1wsj s GLY 23 N -3.30 -0.16 -0.04 5.49 0.00 -0.28 -3.23 107.32 105.80 1wsj s GLY 23 Ca 0.26 0.91 -0.07 0.00 0.00 0.00 0.00 44.72 45.81 1wsj s GLY 23 CO 0.07 1.03 0.18 0.00 0.00 0.00 0.00 173.10 174.38 1wsj s ALA 24 N 0.86 -0.43 -0.07 3.20 0.00 -0.23 -1.42 121.76 123.67 1wsj s ALA 24 Ca -0.06 0.24 0.03 0.00 0.00 0.00 0.00 51.96 52.17 1wsj s ALA 24 Cb -0.07 -0.11 0.01 0.00 0.00 0.00 0.00 23.12 22.95 1wsj s ALA 24 CO -0.06 -0.15 -0.14 0.42 0.00 0.00 0.00 175.76 175.83 1wsj s ILE 25 N -0.62 1.26 -0.17 0.00 1.01 -0.33 -0.94 121.20 121.40 1wsj s ILE 25 Ca -0.07 -0.56 -0.04 0.00 0.00 0.00 0.00 60.65 59.98 1wsj s ILE 25 Cb -0.04 -1.13 -0.02 0.00 0.01 0.00 0.00 42.46 41.28 1wsj s ILE 25 CO 0.01 0.38 -0.03 -0.76 0.00 0.00 0.00 174.94 174.54 1wsj s LEU 26 N 0.55 3.17 -0.13 2.97 1.02 0.09 -1.30 118.68 125.05 1wsj s LEU 26 Ca -0.14 -0.19 0.03 0.00 0.02 0.00 0.00 54.13 53.85 1wsj s LEU 26 Cb -0.15 -1.78 0.01 0.00 0.02 0.00 0.00 46.19 44.29 1wsj s LEU 26 CO 0.04 0.12 -0.22 -0.60 0.02 0.00 0.00 176.35 175.71 1wsj s ARG 27 N 0.66 3.00 -0.13 1.70 3.52 0.77 -1.42 118.95 127.05 1wsj s ARG 27 Ca -0.02 -0.85 -0.05 0.00 -0.13 0.00 0.00 55.73 54.68 1wsj s ARG 27 Cb -0.14 -2.40 0.06 0.00 -1.56 0.00 0.00 34.95 30.91 1wsj s ARG 27 CO 0.02 0.01 0.28 -0.47 -0.81 0.00 0.00 175.30 174.34 1wsj s TYR 28 N 0.75 -0.45 -1.47 5.12 6.14 -0.36 -1.16 117.35 125.91 1wsj s TYR 28 Ca -0.09 1.01 -0.06 0.00 0.64 0.00 0.00 57.07 58.57 1wsj s TYR 28 Cb -0.16 0.04 0.05 0.00 0.42 0.00 0.00 41.96 42.30 1wsj s TYR 28 CO -0.00 -0.34 0.64 0.54 0.64 0.00 0.00 175.55 177.03 1wsj n ARG 29 N 5.05 -3.98 0.00 4.97 5.12 -1.26 -0.36 116.66 126.19 1wsj n ARG 29 Ca -0.12 0.47 0.00 0.00 -1.93 0.00 0.00 57.85 56.28 1wsj n ARG 29 Cb 0.51 -4.94 0.00 0.00 -1.16 0.00 0.00 32.46 26.87 1wsj n ARG 29 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1wsj n GLY 30 N -1.74 2.50 3.85 -0.13 0.00 -1.26 -4.99 105.19 103.42 1wsj n GLY 30 Ca -0.17 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.53 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 3.96 -0.01 1.61 0.52 0.51 -5.08 118.95 120.46 1wsj s ARG 31 Ca 0.00 0.70 0.01 0.00 -0.52 0.00 0.00 55.73 55.93 1wsj s ARG 31 Cb 0.00 -2.35 -0.00 0.00 0.52 0.00 0.00 34.95 33.12 1wsj s ARG 31 CO 0.00 0.02 -0.05 -2.00 0.02 0.00 0.00 175.30 173.30 1wsj s GLU 32 N -3.40 0.40 -0.06 3.54 2.12 -1.26 -1.22 118.70 118.82 1wsj s GLU 32 Ca 0.55 -0.16 0.03 0.00 0.36 0.00 0.00 54.97 55.75 1wsj s GLU 32 Cb -0.10 -0.40 0.01 0.00 0.26 0.00 0.00 34.13 33.90 1wsj s GLU 32 CO 0.23 0.08 -0.15 0.15 -0.54 0.00 0.00 175.26 175.03 1wsj s LYS 33 N -0.02 1.87 0.08 4.30 1.02 -0.50 -4.99 119.74 121.51 1wsj s LYS 33 Ca 0.01 -0.54 0.07 0.00 0.02 0.00 0.00 55.97 55.53 1wsj s LYS 33 Cb -0.03 -1.55 -0.04 0.00 -0.52 0.00 0.00 37.83 35.69 1wsj s LYS 33 CO -0.00 0.13 -0.10 0.99 -0.92 0.00 0.00 175.35 175.44 1wsj s THR 34 N 0.38 3.36 -0.01 2.17 2.01 -1.26 -0.73 115.64 121.55 1wsj s THR 34 Ca -0.11 -1.19 0.00 0.00 0.31 0.00 0.00 61.69 60.70 1wsj s THR 34 Cb -0.14 -2.54 0.02 0.00 0.01 0.00 0.00 72.50 69.84 1wsj s THR 34 CO 0.04 0.17 0.01 -0.36 -0.69 0.00 0.00 174.62 173.79 1wsj s PHE 35 N -1.16 0.09 -0.18 4.92 0.08 -0.12 -5.00 117.98 116.62 1wsj s PHE 35 Ca 0.20 0.05 -0.25 0.00 0.12 0.00 0.00 56.93 57.06 1wsj s PHE 35 Cb -0.11 -0.19 0.06 0.00 -0.57 0.00 0.00 43.02 42.21 1wsj s PHE 35 CO 0.12 -0.06 0.64 0.45 -0.10 0.00 0.00 175.22 176.27 1wsj s SER 36 N 0.65 -0.65 0.04 1.36 0.15 -1.26 -1.07 113.70 112.91 1wsj s SER 36 Ca -0.06 1.09 -0.26 0.00 0.70 0.00 0.00 55.95 57.43 1wsj s SER 36 Cb -0.08 1.07 0.06 0.00 -1.71 0.00 0.00 66.02 65.36 1wsj s SER 36 CO -0.02 -0.34 0.61 0.00 1.20 0.00 0.00 173.24 174.69 1wsj s ALA 37 N -0.15 -1.59 0.06 5.45 0.00 -1.20 -5.00 121.76 119.33 1wsj s ALA 37 Ca -0.04 0.87 0.08 0.00 0.00 0.00 0.00 51.96 52.87 1wsj s ALA 37 Cb -0.03 0.37 -0.03 0.00 0.00 0.00 0.00 23.12 23.42 1wsj s ALA 37 CO 0.04 -0.52 -0.21 0.20 0.00 0.00 0.00 175.76 175.26 1wsj s GLY 38 N -1.86 1.17 -0.04 0.00 0.00 -1.26 -2.10 107.32 103.23 1wsj s GLY 38 Ca -0.06 -1.13 0.07 0.00 0.00 0.00 0.00 44.72 43.60 1wsj s GLY 38 CO -0.00 -1.08 -0.25 -0.19 0.00 0.00 0.00 173.10 171.58 1wsj s TYR 39 N -0.92 2.31 0.26 1.90 1.51 0.68 -1.21 117.35 121.87 1wsj s TYR 39 Ca 0.07 -0.55 -0.04 0.00 -1.01 0.00 0.00 57.07 55.54 1wsj s TYR 39 Cb -0.09 -1.50 0.33 0.00 -0.11 0.00 0.00 41.96 40.59 1wsj s TYR 39 CO 0.03 -0.11 1.90 1.79 -1.11 0.00 0.00 175.55 178.04 1wsj h THR 40 N 4.76 1.16 -2.84 -0.71 1.35 -1.26 -1.75 112.91 113.61 1wsj h THR 40 Ca -0.38 -0.43 -0.33 0.00 -0.55 0.00 0.00 66.41 64.73 1wsj h THR 40 Cb 1.15 -0.19 -0.37 0.00 -1.73 0.00 0.00 68.15 67.01 1wsj h THR 40 CO 0.47 0.23 -0.65 -0.60 -0.25 0.00 0.00 175.52 174.72 1wsj s ARG 41 N -6.08 0.11 0.00 4.72 3.52 -1.26 -3.23 118.95 116.72 1wsj s ARG 41 Ca -0.13 0.32 0.00 0.00 -0.13 0.00 0.00 55.73 55.79 1wsj s ARG 41 Cb 0.19 -0.90 0.00 0.00 -1.56 0.00 0.00 34.95 32.68 1wsj s ARG 41 CO 0.81 -0.51 0.00 -2.37 -0.81 0.00 0.00 175.30 172.43 1wsj n THR 42 N 5.32 0.00 -4.15 4.11 5.66 0.02 -4.28 114.28 120.95 1wsj n THR 42 Ca -0.05 0.00 -0.10 0.00 -3.05 0.00 0.00 64.05 60.85 1wsj n THR 42 Cb 0.50 0.00 -0.10 0.00 -1.55 0.00 0.00 70.33 69.18 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 -2.83 0.46 0.16 1.09 -4.23 -1.26 -1.97 115.64 107.05 1wsj s THR 43 Ca 0.00 -1.90 -0.17 0.00 -1.18 0.00 0.00 61.69 58.44 1wsj s THR 43 Cb 0.00 -1.73 0.05 0.00 1.34 0.00 0.00 72.50 72.15 1wsj s THR 43 CO 0.00 -0.81 1.70 -1.13 -0.54 0.00 0.00 174.62 173.84 1wsj h ASN 44 N 2.98 -0.15 -0.64 3.99 -1.24 -1.85 -1.77 115.58 116.90 1wsj h ASN 44 Ca -0.35 0.08 0.02 0.00 0.71 0.00 0.00 56.30 56.76 1wsj h ASN 44 Cb 1.17 0.15 -0.04 0.00 0.73 0.00 0.00 38.32 40.33 1wsj h ASN 44 CO 0.64 -0.04 0.41 0.78 -1.29 0.00 0.00 177.43 177.93 1wsj h ASN 45 N 0.10 0.68 -0.16 1.15 -0.26 -1.96 0.34 115.58 115.47 1wsj h ASN 45 Ca 0.17 -0.01 -0.07 0.00 -0.56 0.00 0.00 56.30 55.84 1wsj h ASN 45 Cb 0.24 -0.16 -0.02 0.00 -1.06 0.00 0.00 38.32 37.32 1wsj h ASN 45 CO -0.29 0.48 -0.11 0.03 -1.06 0.00 0.00 177.43 176.49 1wsj h ARG 46 N 0.82 0.51 -0.14 0.81 3.08 -1.90 -1.76 114.38 115.80 1wsj h ARG 46 Ca 0.25 -0.14 -0.15 0.00 0.07 0.00 0.00 59.98 60.00 1wsj h ARG 46 Cb -0.03 -0.06 -0.01 0.00 0.08 0.00 0.00 29.97 29.96 1wsj h ARG 46 CO -0.08 0.62 -0.57 0.52 -1.07 0.00 0.00 179.97 179.39 1wsj h MET 47 N 0.47 0.44 -0.78 0.04 2.86 -0.60 0.02 114.93 117.39 1wsj h MET 47 Ca 0.09 -0.29 -0.05 0.00 -2.06 0.00 0.00 59.70 57.39 1wsj h MET 47 Cb 0.48 0.04 -0.03 0.00 0.06 0.00 0.00 31.60 32.14 1wsj h MET 47 CO 0.03 0.89 0.29 0.93 1.06 0.00 0.00 176.91 180.10 1wsj h GLU 48 N 0.34 1.19 0.04 1.72 5.08 -0.50 -1.82 114.58 120.63 1wsj h GLU 48 Ca 0.00 -0.23 -0.00 0.00 -1.00 0.00 0.00 59.36 58.13 1wsj h GLU 48 Cb 1.09 -0.18 0.00 0.00 0.50 0.00 0.00 28.75 30.16 1wsj h GLU 48 CO 0.10 0.98 -0.02 -0.07 -1.00 0.00 0.00 179.01 179.00 1wsj h LEU 49 N 1.15 -0.05 -1.10 1.33 3.38 -1.19 -3.22 115.31 115.61 1wsj h LEU 49 Ca 0.26 -0.36 0.09 0.00 0.09 0.00 0.00 57.88 57.95 1wsj h LEU 49 Cb 0.26 0.01 -0.07 0.00 0.09 0.00 0.00 40.66 40.95 1wsj h LEU 49 CO -0.02 0.34 0.61 -0.03 0.09 0.00 0.00 178.44 179.44 1wsj h MET 50 N -0.45 0.98 -0.33 1.13 4.05 -0.84 -0.29 114.93 119.17 1wsj h MET 50 Ca -0.01 -0.06 0.04 0.00 -0.28 0.00 0.00 59.70 59.39 1wsj h MET 50 Cb 0.41 -0.22 -0.04 0.00 -0.80 0.00 0.00 31.60 30.95 1wsj h MET 50 CO 0.01 0.65 0.12 0.00 0.23 0.00 0.00 176.91 177.91 1wsj h ALA 51 N 1.52 0.38 -0.38 0.39 0.00 -1.37 0.24 119.26 120.05 1wsj h ALA 51 Ca 0.43 0.04 -0.09 0.00 0.00 0.00 0.00 54.91 55.29 1wsj h ALA 51 Cb 0.33 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.13 1wsj h ALA 51 CO -0.19 -0.28 -0.13 0.00 0.00 0.00 0.00 179.25 178.66 1wsj h ALA 52 N 1.21 0.52 -0.08 0.00 0.00 -1.41 -1.81 119.26 117.69 1wsj h ALA 52 Ca 0.15 -0.33 -0.00 0.00 0.00 0.00 0.00 54.91 54.73 1wsj h ALA 52 Cb 0.12 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 17.77 1wsj h ALA 52 CO -0.15 0.42 0.05 0.82 0.00 0.00 0.00 179.25 180.38 1wsj h ILE 53 N 0.55 1.07 -0.74 0.00 2.04 -0.70 -1.42 117.51 118.31 1wsj h ILE 53 Ca 0.09 -0.19 -0.05 0.00 1.00 0.00 0.00 64.86 65.71 1wsj h ILE 53 Cb 0.66 1.05 -0.03 0.00 -0.74 0.00 0.00 36.82 37.76 1wsj h ILE 53 CO 0.04 0.06 0.25 0.58 0.00 0.00 0.00 178.15 179.09 1wsj h VAL 54 N 0.05 1.26 0.03 1.67 2.07 -0.51 -0.37 116.25 120.46 1wsj h VAL 54 Ca 0.03 -0.87 -0.00 0.00 0.82 0.00 0.00 66.70 66.68 1wsj h VAL 54 Cb 0.06 0.43 0.00 0.00 -1.52 0.00 0.00 31.29 30.26 1wsj h VAL 54 CO -0.00 0.34 -0.02 0.00 0.02 0.00 0.00 177.57 177.91 1wsj h ALA 55 N 1.13 -0.04 -0.45 1.67 0.00 -1.17 -2.28 119.26 118.13 1wsj h ALA 55 Ca 0.24 -0.07 -0.09 0.00 0.00 0.00 0.00 54.91 55.00 1wsj h ALA 55 Cb 0.28 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.07 1wsj h ALA 55 CO -0.01 -0.46 -0.05 -0.07 0.00 0.00 0.00 179.25 178.65 1wsj h LEU 56 N -0.16 0.82 -2.13 0.00 3.38 -1.19 -2.76 115.31 113.27 1wsj h LEU 56 Ca -0.00 -0.34 0.00 0.00 0.09 0.00 0.00 57.88 57.63 1wsj h LEU 56 Cb 0.15 -0.22 0.00 0.00 0.09 0.00 0.00 40.66 40.68 1wsj h LEU 56 CO 0.01 0.96 0.00 -0.33 0.09 0.00 0.00 178.44 179.17 1wsj h GLU 57 N 0.66 0.00 0.00 1.13 5.08 -1.05 -1.95 114.58 118.46 1wsj h GLU 57 Ca 0.12 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.48 1wsj h GLU 57 Cb 0.57 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.82 1wsj h GLU 57 CO 0.03 0.00 0.00 0.00 -1.00 0.00 0.00 179.01 178.04 1wsj n ALA 58 N -2.05 1.83 -2.64 3.43 0.00 -0.86 -4.61 120.51 115.61 1wsj n ALA 58 Ca -0.01 0.04 -0.41 0.00 0.00 0.00 0.00 53.44 53.06 1wsj n ALA 58 Cb 0.18 -1.39 -0.06 0.00 0.00 0.00 0.00 19.45 18.18 1wsj n ALA 58 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1wsj s LEU 59 N -4.25 4.08 0.00 0.00 1.43 -0.73 -4.94 118.68 114.27 1wsj s LEU 59 Ca 0.06 0.84 0.19 0.00 -1.03 0.00 0.00 54.13 54.20 1wsj s LEU 59 Cb 0.10 -2.97 0.59 0.00 0.03 0.00 0.00 46.19 43.94 1wsj s LEU 59 CO 0.43 -0.40 1.46 0.29 0.23 0.00 0.00 176.35 178.36 1wsj n LYS 60 N 5.68 1.93 -3.89 1.70 4.76 -1.26 -4.91 118.16 122.17 1wsj n LYS 60 Ca 0.01 -1.42 -0.09 0.00 -2.87 0.00 0.00 58.31 53.95 1wsj n LYS 60 Cb 0.49 -1.40 -0.08 0.00 -1.84 0.00 0.00 35.03 32.20 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 -1.64 0.79 0.19 1.97 -1.05 -1.26 -5.12 118.70 112.58 1wsj s GLU 61 Ca 0.32 -0.97 -0.32 0.00 -0.15 0.00 0.00 54.97 53.85 1wsj s GLU 61 Cb 0.18 0.32 -0.11 0.00 -0.44 0.00 0.00 34.13 34.07 1wsj s GLU 61 CO 0.25 -0.24 1.62 -1.01 0.95 0.00 0.00 175.26 176.84 1wsj s HIS 62 N -3.75 2.99 0.26 4.83 3.76 -1.26 -4.98 115.29 117.14 1wsj s HIS 62 Ca 0.04 0.55 0.01 0.00 -0.15 0.00 0.00 55.06 55.51 1wsj s HIS 62 Cb 0.05 -4.01 -0.05 0.00 1.11 0.00 0.00 32.58 29.69 1wsj s HIS 62 CO -0.10 -3.72 0.11 0.00 -0.85 0.00 0.00 174.74 170.18 1wsj s GLU 64 N -4.01 4.11 -0.04 0.00 2.02 -0.18 -1.85 118.70 118.75 1wsj s GLU 64 Ca 0.37 -0.26 0.04 0.00 0.02 0.00 0.00 54.97 55.15 1wsj s GLU 64 Cb 0.07 -3.44 -0.00 0.00 0.10 0.00 0.00 34.13 30.86 1wsj s GLU 64 CO 0.14 0.19 -0.16 0.08 0.02 0.00 0.00 175.26 175.53 1wsj s VAL 65 N 0.66 1.34 -0.48 2.63 1.01 0.20 -0.32 120.40 125.44 1wsj s VAL 65 Ca 0.07 -0.68 -0.05 0.00 0.00 0.00 0.00 61.98 61.32 1wsj s VAL 65 Cb -0.12 -1.15 0.13 0.00 0.00 0.00 0.00 36.38 35.23 1wsj s VAL 65 CO 0.01 0.39 0.31 -0.63 0.00 0.00 0.00 175.10 175.18 1wsj s ILE 66 N -0.01 3.73 -0.38 2.22 1.01 -0.13 -0.53 121.20 127.12 1wsj s ILE 66 Ca -0.02 -2.16 -0.18 0.00 0.00 0.00 0.00 60.65 58.29 1wsj s ILE 66 Cb -0.10 -3.49 0.01 0.00 0.01 0.00 0.00 42.46 38.88 1wsj s ILE 66 CO 0.02 -0.76 0.52 -0.22 0.00 0.00 0.00 174.94 174.49 1wsj s LEU 67 N 0.95 4.49 -0.25 2.97 0.20 -0.39 -0.81 118.68 125.84 1wsj s LEU 67 Ca 0.09 -0.23 -0.06 0.00 0.69 0.00 0.00 54.13 54.62 1wsj s LEU 67 Cb -0.23 -2.57 -0.02 0.00 -0.43 0.00 0.00 46.19 42.95 1wsj s LEU 67 CO -0.03 -0.56 0.04 -0.55 -0.29 0.00 0.00 176.35 174.96 1wsj s SER 68 N 1.82 4.90 0.09 3.68 0.15 0.14 -0.59 113.70 123.89 1wsj s SER 68 Ca 0.18 -0.32 -0.18 0.00 0.70 0.00 0.00 55.95 56.33 1wsj s SER 68 Cb -0.15 -1.87 0.04 0.00 -1.71 0.00 0.00 66.02 62.33 1wsj s SER 68 CO 0.15 -0.05 0.43 0.28 1.20 0.00 0.00 173.24 175.24 1wsj s THR 69 N 1.57 0.06 -0.26 6.45 -1.32 -1.00 -1.92 115.64 119.21 1wsj s THR 69 Ca 0.06 -0.47 0.12 0.00 -1.21 0.00 0.00 61.69 60.19 1wsj s THR 69 Cb -0.15 -1.07 0.56 0.00 -1.51 0.00 0.00 72.50 70.34 1wsj s THR 69 CO 0.02 -0.26 1.53 -0.90 -2.21 0.00 0.00 174.62 172.79 1wsj n ASP 70 N 0.08 3.50 -4.57 8.08 5.75 -1.26 -1.27 116.55 126.86 1wsj n ASP 70 Ca -0.17 -3.37 -0.42 0.00 -0.01 0.00 0.00 54.79 50.83 1wsj n ASP 70 Cb 0.62 -0.63 -0.03 0.00 -1.03 0.00 0.00 41.12 40.06 1wsj n ASP 70 CO 0.00 0.00 0.00 -0.44 -0.11 0.00 0.00 177.20 176.65 1wsj s SER 71 N -1.99 6.19 0.17 -1.12 0.01 -1.26 -4.88 113.70 110.82 1wsj s SER 71 Ca 0.46 0.11 -0.12 0.00 1.31 0.00 0.00 55.95 57.71 1wsj s SER 71 Cb 0.39 -2.55 0.07 0.00 0.21 0.00 0.00 66.02 64.14 1wsj s SER 71 CO 0.06 -1.70 1.71 1.56 0.41 0.00 0.00 173.24 175.29 1wsj h GLN 72 N 10.62 0.90 -0.32 12.44 1.08 -1.96 -1.53 115.11 136.35 1wsj h GLN 72 Ca -0.26 -0.18 0.04 0.00 -1.45 0.00 0.00 58.65 56.79 1wsj h GLN 72 Cb 1.08 -0.14 -0.04 0.00 -0.05 0.00 0.00 27.48 28.33 1wsj h GLN 72 CO 1.20 0.79 0.09 -0.92 -0.95 0.00 0.00 178.83 179.05 1wsj h TYR 73 N 0.83 0.17 -0.27 2.96 3.20 -1.97 -0.60 116.97 121.28 1wsj h TYR 73 Ca 0.19 0.02 -0.01 0.00 3.14 0.00 0.00 58.73 62.08 1wsj h TYR 73 Cb 0.25 -0.03 -0.01 0.00 1.54 0.00 0.00 36.73 38.48 1wsj h TYR 73 CO 0.01 0.06 0.15 0.28 -1.64 0.00 0.00 178.16 177.02 1wsj h VAL 74 N 0.22 1.12 -0.12 1.81 2.07 -1.89 -2.22 116.25 117.25 1wsj h VAL 74 Ca 0.14 -0.32 0.04 0.00 0.82 0.00 0.00 66.70 67.38 1wsj h VAL 74 Cb 0.13 0.85 -0.04 0.00 -1.52 0.00 0.00 31.29 30.71 1wsj h VAL 74 CO -0.16 0.12 -0.13 -0.09 0.02 0.00 0.00 177.57 177.33 1wsj h ARG 75 N 0.32 -0.16 -1.00 1.57 2.43 -0.82 0.62 114.38 117.34 1wsj h ARG 75 Ca 0.09 0.01 0.03 0.00 -0.81 0.00 0.00 59.98 59.30 1wsj h ARG 75 Cb 0.07 0.04 -0.06 0.00 -0.42 0.00 0.00 29.97 29.60 1wsj h ARG 75 CO -0.01 -0.11 0.66 1.96 -1.51 0.00 0.00 179.97 180.96 1wsj h GLN 76 N -0.16 1.26 -0.28 0.20 4.20 -1.05 0.11 115.11 119.39 1wsj h GLN 76 Ca 0.09 -0.08 -0.06 0.00 0.06 0.00 0.00 58.65 58.66 1wsj h GLN 76 Cb 0.29 -0.28 -0.01 0.00 0.30 0.00 0.00 27.48 27.78 1wsj h GLN 76 CO -0.22 0.83 -0.07 0.78 -0.67 0.00 0.00 178.83 179.48 1wsj h GLY 77 N 1.30 0.58 0.99 3.46 0.00 -0.98 -0.70 103.07 107.72 1wsj h GLY 77 Ca 0.39 -0.49 -0.07 0.00 0.00 0.00 0.00 47.33 47.17 1wsj h GLY 77 CO -0.11 0.44 0.04 -2.22 0.00 0.00 0.00 176.54 174.70 1wsj h ILE 78 N 0.29 1.26 -0.31 2.60 1.08 -0.34 0.28 117.51 122.38 1wsj h ILE 78 Ca 0.07 -0.99 0.00 0.00 -0.39 0.00 0.00 64.86 63.55 1wsj h ILE 78 Cb 0.55 0.95 0.00 0.00 -3.07 0.00 0.00 36.82 35.25 1wsj h ILE 78 CO 0.03 0.35 0.00 0.35 -0.69 0.00 0.00 178.15 178.19 1wsj n THR 79 N -4.39 0.38 0.07 -0.27 -2.24 0.34 -4.72 114.28 103.46 1wsj n THR 79 Ca 0.01 -0.69 0.00 0.00 -2.27 0.00 0.00 64.05 61.10 1wsj n THR 79 Cb 0.28 1.10 0.00 0.00 -2.10 0.00 0.00 70.33 69.61 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 1.46 0.00 0.01 -0.78 6.02 -0.30 -5.02 117.38 118.78 1wsj n GLN 80 Ca 0.18 0.00 -0.18 0.00 -0.01 0.00 0.00 57.00 56.99 1wsj n GLN 80 Cb 0.61 -0.03 -0.12 0.00 1.02 0.00 0.00 30.24 31.72 1wsj n GLN 80 CO 0.00 0.00 0.00 -1.49 -1.01 0.00 0.00 177.06 174.56 1wsj h TRP 81 N 0.00 0.55 -0.84 1.08 6.55 -1.30 -3.39 115.95 118.60 1wsj h TRP 81 Ca 0.00 -0.33 0.19 0.00 0.95 0.00 0.00 58.89 59.70 1wsj h TRP 81 Cb 0.00 -0.05 -0.16 0.00 -0.86 0.00 0.00 29.16 28.09 1wsj h TRP 81 CO 0.00 1.18 -0.14 1.51 -1.05 0.00 0.00 178.44 179.94 1wsj n ILE 82 N -4.22 -0.35 0.27 1.49 0.13 0.98 -1.41 119.36 116.24 1wsj n ILE 82 Ca -0.11 1.90 -0.16 0.00 -1.10 0.00 0.00 62.75 63.27 1wsj n ILE 82 Cb 0.70 -2.67 -0.08 0.00 -0.84 0.00 0.00 39.64 36.75 1wsj n ILE 82 CO 0.00 0.00 0.00 -0.74 2.80 0.00 0.00 176.55 178.61 1wsj h HIS 83 N 0.00 -0.75 -0.28 9.51 2.76 -1.82 -2.61 115.15 121.96 1wsj h HIS 83 Ca 0.43 -0.01 0.05 0.00 -2.20 0.00 0.00 60.37 58.65 1wsj h HIS 83 Cb 0.74 0.27 -0.05 0.00 1.55 0.00 0.00 27.41 29.92 1wsj h HIS 83 CO -0.58 -0.44 -0.06 -0.91 -1.30 0.00 0.00 177.93 174.64 1wsj h ASN 84 N -0.71 -0.24 -0.25 3.26 2.35 -1.46 -1.51 115.58 117.02 1wsj h ASN 84 Ca -0.05 0.08 0.07 0.00 -0.55 0.00 0.00 56.30 55.85 1wsj h ASN 84 Cb 0.58 0.16 -0.01 0.00 0.05 0.00 0.00 38.32 39.11 1wsj h ASN 84 CO 0.05 -0.08 0.19 -0.50 -1.65 0.00 0.00 177.43 175.44 1wsj h TRP 85 N 0.01 0.00 0.00 1.19 6.55 -1.38 0.49 115.95 122.80 1wsj h TRP 85 Ca 0.13 0.00 -0.01 0.00 0.95 0.00 0.00 58.89 59.96 1wsj h TRP 85 Cb 0.20 0.00 -0.00 0.00 -0.86 0.00 0.00 29.16 28.50 1wsj h TRP 85 CO -0.26 0.00 -0.05 0.87 -1.05 0.00 0.00 178.44 177.94 1wsj h LYS 86 N 0.00 0.00 -0.02 0.49 1.57 -0.90 0.44 116.57 118.15 1wsj h LYS 86 Ca 0.12 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.90 1wsj h LYS 86 Cb 0.49 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.80 1wsj h LYS 86 CO -0.00 0.05 -0.21 0.00 -0.57 0.00 0.00 179.45 178.73 1wsj n ALA 87 N -2.11 2.96 -0.57 3.86 0.00 0.16 -4.08 120.51 120.72 1wsj n ALA 87 Ca 0.03 -0.56 0.03 0.00 0.00 0.00 0.00 53.44 52.94 1wsj n ALA 87 Cb 0.51 -0.95 0.04 0.00 0.00 0.00 0.00 19.45 19.05 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 0.23 1.94 -1.94 0.00 1.74 -0.44 -4.99 116.66 113.20 1wsj n ARG 88 Ca 0.13 -1.70 -0.10 0.00 -0.77 0.00 0.00 57.85 55.41 1wsj n ARG 88 Cb 0.45 -1.07 -0.02 0.00 -1.02 0.00 0.00 32.46 30.80 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 -0.71 0.29 3.10 -0.13 0.00 -1.15 -3.12 105.19 103.47 1wsj n GLY 89 Ca 0.05 -0.50 -0.22 0.00 0.00 0.00 0.00 46.02 45.36 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 -3.65 -2.12 -3.98 1.61 7.02 0.15 -5.00 117.44 111.47 1wsj n TRP 90 Ca -0.11 0.64 -0.13 0.00 -1.02 0.00 0.00 57.50 56.87 1wsj n TRP 90 Cb 0.52 -4.46 -0.14 0.00 -2.42 0.00 0.00 31.31 24.81 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 -5.82 0.18 1.01 -0.99 1.02 -1.18 -2.48 119.74 111.47 1wsj s LYS 91 Ca 0.37 -0.14 -0.11 0.00 0.02 0.00 0.00 55.97 56.11 1wsj s LYS 91 Cb -0.16 -0.13 0.19 0.00 -0.52 0.00 0.00 37.83 37.21 1wsj s LYS 91 CO 0.46 0.03 1.09 0.95 -0.92 0.00 0.00 175.35 176.95 1wsj s THR 92 N -0.21 2.22 0.52 2.17 -4.23 0.44 -4.77 115.64 111.78 1wsj s THR 92 Ca -0.01 0.07 0.27 0.00 -1.18 0.00 0.00 61.69 60.84 1wsj s THR 92 Cb -0.02 -2.22 0.44 0.00 1.34 0.00 0.00 72.50 72.03 1wsj s THR 92 CO -0.00 -0.09 1.93 0.00 -0.54 0.00 0.00 174.62 175.92 1wsj h ALA 93 N -2.08 2.63 -0.29 3.99 0.00 -1.96 0.54 119.26 122.10 1wsj h ALA 93 Ca -0.52 -0.02 -0.03 0.00 0.00 0.00 0.00 54.91 54.35 1wsj h ALA 93 Cb 1.30 0.04 -0.02 0.00 0.00 0.00 0.00 17.79 19.12 1wsj h ALA 93 CO 0.48 -0.84 0.03 -0.40 0.00 0.00 0.00 179.25 178.52 1wsj n ASP 94 N -4.34 3.21 0.00 0.00 5.75 -1.26 -4.88 116.55 115.03 1wsj n ASP 94 Ca 0.15 -2.46 0.00 0.00 -0.01 0.00 0.00 54.79 52.46 1wsj n ASP 94 Cb 0.78 -0.59 0.00 0.00 -1.03 0.00 0.00 41.12 40.27 1wsj n ASP 94 CO 0.00 0.00 0.00 0.29 -0.11 0.00 0.00 177.20 177.38 1wsj n LYS 95 N 0.23 0.00 -2.43 0.11 4.76 0.19 -4.96 118.16 116.06 1wsj n LYS 95 Ca 0.14 0.00 -0.41 0.00 -2.87 0.00 0.00 58.31 55.17 1wsj n LYS 95 Cb 0.73 -3.48 -0.04 0.00 -1.84 0.00 0.00 35.03 30.40 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 -0.30 4.54 0.54 1.97 1.02 -1.26 -4.57 119.74 121.69 1wsj s LYS 96 Ca 0.00 1.81 -0.21 0.00 0.02 0.00 0.00 55.97 57.60 1wsj s LYS 96 Cb 0.00 -3.24 -0.06 0.00 -0.52 0.00 0.00 37.83 34.00 1wsj s LYS 96 CO 0.00 0.01 1.09 -2.30 -0.92 0.00 0.00 175.35 173.23 1wsj n PRO 97 N 2.27 1.25 -2.11 -1.68 -0.02 -1.26 0.17 135.00 133.61 1wsj n PRO 97 Ca 0.03 0.47 -0.38 0.00 -2.02 0.00 0.00 63.50 61.60 1wsj n PRO 97 Cb 0.45 -2.26 0.00 0.00 -0.02 0.00 0.00 33.50 31.67 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 -1.39 2.78 0.31 -1.45 -7.23 -1.04 -4.60 120.40 107.78 1wsj s VAL 98 Ca 0.71 0.61 -0.30 0.00 -1.81 0.00 0.00 61.98 61.20 1wsj s VAL 98 Cb -0.45 -3.33 -0.11 0.00 0.56 0.00 0.00 36.38 33.05 1wsj s VAL 98 CO 0.50 0.02 1.56 -0.75 -0.31 0.00 0.00 175.10 176.12 1wsj s LYS 99 N -2.61 4.13 -1.52 4.82 2.20 -1.26 -2.18 119.74 123.32 1wsj s LYS 99 Ca 0.63 2.56 -0.04 0.00 -0.36 0.00 0.00 55.97 58.76 1wsj s LYS 99 Cb -0.33 -3.02 0.01 0.00 -1.51 0.00 0.00 37.83 32.98 1wsj s LYS 99 CO 0.41 -0.59 0.43 0.09 -0.36 0.00 0.00 175.35 175.32 1wsj n ASN 100 N 1.79 -5.53 0.01 1.43 3.02 -1.26 -4.87 115.26 109.85 1wsj n ASN 100 Ca 0.06 -0.21 0.08 0.00 -0.03 0.00 0.00 54.58 54.48 1wsj n ASN 100 Cb 0.38 -4.52 0.50 0.00 -0.61 0.00 0.00 39.78 35.53 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 -0.95 1.00 -0.80 2.41 3.04 -1.82 -0.59 116.25 118.53 1wsj h VAL 101 Ca -0.49 -0.13 -0.03 0.00 -1.01 0.00 0.00 66.70 65.04 1wsj h VAL 101 Cb 1.34 0.58 -0.04 0.00 -2.01 0.00 0.00 31.29 31.16 1wsj h VAL 101 CO 0.55 0.07 0.37 -2.24 -1.01 0.00 0.00 177.57 175.31 1wsj h ASP 102 N 0.38 1.06 0.21 3.17 2.03 -1.89 -1.14 116.42 120.23 1wsj h ASP 102 Ca 0.17 -0.13 -0.33 0.00 -0.73 0.00 0.00 57.03 56.01 1wsj h ASP 102 Cb 0.21 -0.27 0.02 0.00 -0.83 0.00 0.00 39.33 38.46 1wsj h ASP 102 CO -0.04 0.90 -1.56 -0.07 -1.03 0.00 0.00 179.24 177.44 1wsj h LEU 103 N 1.15 0.68 -1.35 0.15 3.38 -1.72 -3.09 115.31 114.51 1wsj h LEU 103 Ca 0.27 -0.93 0.00 0.00 0.09 0.00 0.00 57.88 57.32 1wsj h LEU 103 Cb 0.13 -0.22 -0.03 0.00 0.09 0.00 0.00 40.66 40.63 1wsj h LEU 103 CO -0.03 1.72 0.41 -0.50 0.09 0.00 0.00 178.44 180.13 1wsj h TRP 104 N 0.05 0.81 -0.45 1.13 4.06 -1.09 -1.16 115.95 119.31 1wsj h TRP 104 Ca -0.30 0.01 -0.13 0.00 2.06 0.00 0.00 58.89 60.54 1wsj h TRP 104 Cb 2.07 -0.27 -0.01 0.00 -1.00 0.00 0.00 29.16 29.94 1wsj h TRP 104 CO 0.12 0.52 -0.22 1.96 -3.56 0.00 0.00 178.44 177.26 1wsj h GLN 105 N 0.86 0.91 -0.65 0.49 4.20 -1.29 -0.93 115.11 118.71 1wsj h GLN 105 Ca 0.23 -0.38 -0.07 0.00 0.06 0.00 0.00 58.65 58.49 1wsj h GLN 105 Cb -0.08 -0.04 -0.03 0.00 0.30 0.00 0.00 27.48 27.64 1wsj h GLN 105 CO -0.05 1.03 0.12 0.00 -0.67 0.00 0.00 178.83 179.26 1wsj h ARG 106 N 0.79 1.07 0.02 1.46 3.08 -1.35 -1.82 114.38 117.63 1wsj h ARG 106 Ca 0.10 -0.28 -0.00 0.00 0.07 0.00 0.00 59.98 59.87 1wsj h ARG 106 Cb 0.77 -0.13 0.00 0.00 0.08 0.00 0.00 29.97 30.69 1wsj h ARG 106 CO 0.06 0.98 -0.01 1.25 -1.07 0.00 0.00 179.97 181.18 1wsj h LEU 107 N 0.98 -0.03 -0.54 3.04 5.85 -1.02 -1.89 115.31 121.70 1wsj h LEU 107 Ca 0.20 -0.29 0.10 0.00 0.84 0.00 0.00 57.88 58.72 1wsj h LEU 107 Cb 0.42 0.01 -0.08 0.00 0.37 0.00 0.00 40.66 41.38 1wsj h LEU 107 CO 0.01 0.28 0.08 -0.78 -0.34 0.00 0.00 178.44 177.69 1wsj h ASP 108 N -0.34 -0.07 -0.70 1.25 -0.00 -1.13 0.29 116.42 115.72 1wsj h ASP 108 Ca -0.00 0.11 0.04 0.00 -0.00 0.00 0.00 57.03 57.17 1wsj h ASP 108 Cb 0.32 0.17 -0.05 0.00 -0.00 0.00 0.00 39.33 39.77 1wsj h ASP 108 CO 0.01 -0.02 0.43 0.00 -0.00 0.00 0.00 179.24 179.66 1wsj h ALA 109 N 1.45 0.92 -0.53 -0.78 0.00 -1.24 -2.07 119.26 117.01 1wsj h ALA 109 Ca 0.28 -0.02 -0.11 0.00 0.00 0.00 0.00 54.91 55.07 1wsj h ALA 109 Cb 0.41 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.97 1wsj h ALA 109 CO -0.39 0.19 -0.09 0.00 0.00 0.00 0.00 179.25 178.96 1wsj h ALA 110 N 1.31 0.84 -0.80 0.00 0.00 -0.25 -3.16 119.26 117.20 1wsj h ALA 110 Ca 0.29 -0.34 0.07 0.00 0.00 0.00 0.00 54.91 54.93 1wsj h ALA 110 Cb 0.05 -0.20 -0.06 0.00 0.00 0.00 0.00 17.79 17.58 1wsj h ALA 110 CO -0.12 0.66 0.47 -0.07 0.00 0.00 0.00 179.25 180.19 1wsj h LEU 111 N 0.88 0.71 0.00 0.00 -0.00 0.15 -2.37 115.31 114.68 1wsj h LEU 111 Ca 0.14 0.03 0.00 0.00 -0.00 0.00 0.00 57.88 58.05 1wsj h LEU 111 Cb 0.63 -0.11 0.00 0.00 -0.00 0.00 0.00 40.66 41.18 1wsj h LEU 111 CO 0.04 0.44 0.00 0.61 -0.00 0.00 0.00 178.44 179.53 1wsj n GLY 112 N -1.32 -0.64 0.62 0.83 0.00 -0.89 -2.62 105.19 101.18 1wsj n GLY 112 Ca 0.12 -0.08 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 -1.14 1.58 -3.99 1.61 1.13 -0.89 -4.98 117.38 110.68 1wsj n GLN 113 Ca 0.09 -1.26 -0.09 0.00 -1.94 0.00 0.00 57.00 53.81 1wsj n GLN 113 Cb 0.09 -1.47 -0.08 0.00 0.11 0.00 0.00 30.24 28.88 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 -2.29 0.43 -0.37 1.08 3.76 -1.08 -4.16 115.29 112.67 1wsj s HIS 114 Ca 0.24 -0.87 -0.17 0.00 -0.15 0.00 0.00 55.06 54.11 1wsj s HIS 114 Cb 0.19 -0.23 0.00 0.00 1.11 0.00 0.00 32.58 33.65 1wsj s HIS 114 CO 0.46 -0.53 0.45 -0.65 -0.85 0.00 0.00 174.74 173.62 1wsj s GLN 115 N -3.93 3.47 -0.11 1.40 -0.21 -0.77 -4.97 119.66 114.54 1wsj s GLN 115 Ca 0.11 -0.39 0.00 0.00 0.02 0.00 0.00 55.36 55.10 1wsj s GLN 115 Cb 0.06 -3.85 -0.02 0.00 1.00 0.00 0.00 33.01 30.20 1wsj s GLN 115 CO -0.06 -0.66 -0.11 0.42 -2.12 0.00 0.00 175.29 172.76 1wsj s ILE 116 N 2.23 3.32 -0.26 1.08 -1.09 -1.26 -0.63 121.20 124.58 1wsj s ILE 116 Ca 0.15 -0.59 -0.04 0.00 -2.23 0.00 0.00 60.65 57.93 1wsj s ILE 116 Cb -0.16 -2.38 0.01 0.00 -1.58 0.00 0.00 42.46 38.35 1wsj s ILE 116 CO 0.13 0.55 0.01 -0.75 -1.23 0.00 0.00 174.94 173.64 1wsj s LYS 117 N -0.08 3.10 -0.01 2.79 2.20 0.31 -4.97 119.74 123.08 1wsj s LYS 117 Ca -0.01 -0.83 -0.19 0.00 -0.36 0.00 0.00 55.97 54.58 1wsj s LYS 117 Cb -0.14 -3.17 -0.05 0.00 -1.51 0.00 0.00 37.83 32.96 1wsj s LYS 117 CO 0.03 -0.36 0.56 -1.58 -0.36 0.00 0.00 175.35 173.64 1wsj s TRP 118 N 1.44 3.69 -0.35 4.03 0.52 -1.26 -1.26 118.94 125.74 1wsj s TRP 118 Ca 0.03 1.15 0.03 0.00 0.02 0.00 0.00 56.10 57.33 1wsj s TRP 118 Cb -0.16 -2.55 0.10 0.00 -1.15 0.00 0.00 33.47 29.71 1wsj s TRP 118 CO -0.01 0.39 0.07 -1.21 0.02 0.00 0.00 176.95 176.22 1wsj s GLU 119 N -0.32 1.42 -0.44 4.98 2.02 0.24 -4.94 118.70 121.66 1wsj s GLU 119 Ca 0.29 -1.84 -0.29 0.00 0.02 0.00 0.00 54.97 53.16 1wsj s GLU 119 Cb -0.18 -3.06 0.02 0.00 0.10 0.00 0.00 34.13 31.01 1wsj s GLU 119 CO 0.16 -0.96 1.31 -1.58 0.02 0.00 0.00 175.26 174.21 1wsj s TRP 120 N 0.90 2.56 0.29 1.61 0.52 -1.26 -2.39 118.94 121.16 1wsj s TRP 120 Ca 0.11 0.68 0.06 0.00 0.02 0.00 0.00 56.10 56.98 1wsj s TRP 120 Cb -0.19 -4.37 -0.02 0.00 -1.15 0.00 0.00 33.47 27.74 1wsj s TRP 120 CO -0.09 -1.71 0.40 0.14 0.02 0.00 0.00 176.95 175.71 1wsj s VAL 121 N 5.07 4.65 -0.38 4.03 -7.23 -0.40 -4.97 120.40 121.17 1wsj s VAL 121 Ca 0.56 -1.02 -0.01 0.00 -1.81 0.00 0.00 61.98 59.70 1wsj s VAL 121 Cb -0.11 -3.62 0.10 0.00 0.56 0.00 0.00 36.38 33.31 1wsj s VAL 121 CO 0.32 -0.25 0.14 -0.54 -0.31 0.00 0.00 175.10 174.46 1wsj s LYS 122 N -4.06 1.98 -0.34 4.82 1.02 -1.26 -4.12 119.74 117.78 1wsj s LYS 122 Ca 0.39 -1.73 -0.03 0.00 0.02 0.00 0.00 55.97 54.62 1wsj s LYS 122 Cb -0.09 -3.44 -0.12 0.00 -0.52 0.00 0.00 37.83 33.67 1wsj s LYS 122 CO 0.30 -0.96 1.08 0.41 -0.92 0.00 0.00 175.35 175.26 1wsj n GLY 123 N 4.53 -0.17 0.00 -3.33 0.00 -1.26 -4.51 105.19 100.46 1wsj n GLY 123 Ca -0.03 -0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.99 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 3.46 0.00 -2.82 4.61 0.00 -1.26 -5.17 120.51 119.34 1wsj n ALA 124 Ca 0.23 0.00 -0.24 0.00 0.00 0.00 0.00 53.44 53.43 1wsj n ALA 124 Cb 0.23 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.65 1wsj n ALA 124 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1wsj s ALA 125 N -1.03 3.83 0.00 0.00 0.00 -1.26 -4.42 121.76 118.87 1wsj s ALA 125 Ca 0.00 -1.02 0.00 0.00 0.00 0.00 0.00 51.96 50.94 1wsj s ALA 125 Cb 0.00 -1.92 0.00 0.00 0.00 0.00 0.00 23.12 21.20 1wsj s ALA 125 CO 0.00 0.21 0.00 0.41 0.00 0.00 0.00 175.76 176.38 1wsj n GLY 126 N -1.32 0.69 2.29 0.00 0.00 -1.26 -4.96 105.19 100.63 1wsj n GLY 126 Ca -0.06 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.70 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 -2.60 1.25 -0.02 1.61 -0.00 -1.26 -4.96 115.22 109.24 1wsj n HIS 127 Ca 0.00 -3.80 -0.10 0.00 -0.00 0.00 0.00 57.72 53.82 1wsj n HIS 127 Cb 0.00 -0.43 -0.04 0.00 -0.00 0.00 0.00 29.99 29.52 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 4.08 0.08 -0.69 -0.41 0.11 -1.92 -1.82 132.00 131.43 1wsj h PRO 128 Ca 0.12 -0.00 -0.04 0.00 0.11 0.00 0.00 66.00 66.19 1wsj h PRO 128 Cb 0.79 -0.02 -0.03 0.00 0.11 0.00 0.00 31.00 31.85 1wsj h PRO 128 CO 0.61 0.05 0.26 0.93 -0.21 0.00 0.00 178.00 179.65 1wsj h GLU 129 N 0.09 1.03 -0.54 1.05 3.07 -1.99 -0.48 114.58 116.81 1wsj h GLU 129 Ca 0.06 -0.18 -0.07 0.00 -0.50 0.00 0.00 59.36 58.67 1wsj h GLU 129 Cb 0.05 -0.17 -0.02 0.00 -0.84 0.00 0.00 28.75 27.77 1wsj h GLU 129 CO -0.08 0.85 0.08 -0.91 -1.40 0.00 0.00 179.01 177.55 1wsj h ASN 130 N 1.00 0.87 -0.40 1.42 4.21 -1.89 -0.57 115.58 120.22 1wsj h ASN 130 Ca 0.23 -0.27 -0.02 0.00 1.21 0.00 0.00 56.30 57.46 1wsj h ASN 130 Cb 0.22 -0.23 -0.02 0.00 -1.12 0.00 0.00 38.32 37.16 1wsj h ASN 130 CO -0.02 0.91 0.21 -0.33 -1.29 0.00 0.00 177.43 176.91 1wsj h GLU 131 N 0.79 0.61 -0.67 0.81 5.08 -0.90 -0.58 114.58 119.72 1wsj h GLU 131 Ca 0.16 -0.07 -0.08 0.00 -1.00 0.00 0.00 59.36 58.37 1wsj h GLU 131 Cb 0.42 -0.12 -0.03 0.00 0.50 0.00 0.00 28.75 29.52 1wsj h GLU 131 CO 0.01 0.48 0.10 -0.09 -1.00 0.00 0.00 179.01 178.51 1wsj h ARG 132 N 0.61 1.11 -0.58 2.33 9.65 -0.35 -1.91 114.38 125.25 1wsj h ARG 132 Ca 0.15 -0.30 -0.06 0.00 -1.10 0.00 0.00 59.98 58.67 1wsj h ARG 132 Cb 0.07 -0.13 -0.03 0.00 -1.39 0.00 0.00 29.97 28.50 1wsj h ARG 132 CO -0.02 1.02 0.12 0.00 2.80 0.00 0.00 179.97 183.89 1wsj h ASP 134 N 0.86 0.21 -0.52 0.00 3.58 -0.86 -0.95 116.42 118.73 1wsj h ASP 134 Ca 0.18 -0.12 0.04 0.00 0.42 0.00 0.00 57.03 57.56 1wsj h ASP 134 Cb 0.33 -0.05 -0.04 0.00 1.72 0.00 0.00 39.33 41.29 1wsj h ASP 134 CO 0.00 0.27 0.28 -0.33 -2.88 0.00 0.00 179.24 176.57 1wsj h GLU 135 N 0.13 0.52 -0.33 0.28 5.08 -1.08 0.12 114.58 119.31 1wsj h GLU 135 Ca 0.05 -0.03 0.01 0.00 -1.00 0.00 0.00 59.36 58.39 1wsj h GLU 135 Cb 0.11 -0.12 -0.02 0.00 0.50 0.00 0.00 28.75 29.23 1wsj h GLU 135 CO -0.01 0.34 0.20 -0.07 -1.00 0.00 0.00 179.01 178.48 1wsj h LEU 136 N 0.54 0.34 -0.50 1.33 3.38 -1.13 0.07 115.31 119.34 1wsj h LEU 136 Ca 0.23 -0.00 -0.02 0.00 0.09 0.00 0.00 57.88 58.18 1wsj h LEU 136 Cb 0.12 -0.08 -0.02 0.00 0.09 0.00 0.00 40.66 40.77 1wsj h LEU 136 CO -0.15 0.25 0.25 0.00 0.09 0.00 0.00 178.44 178.87 1wsj h ALA 137 N 1.13 0.64 -0.23 1.53 0.00 -0.74 -0.92 119.26 120.66 1wsj h ALA 137 Ca 0.12 -0.11 -0.10 0.00 0.00 0.00 0.00 54.91 54.82 1wsj h ALA 137 Cb -0.02 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.56 1wsj h ALA 137 CO -0.04 0.19 -0.29 0.00 0.00 0.00 0.00 179.25 179.10 1wsj h ARG 138 N 0.66 0.47 -0.02 0.00 3.08 -0.49 -1.53 114.38 116.55 1wsj h ARG 138 Ca 0.17 -0.19 -0.13 0.00 0.07 0.00 0.00 59.98 59.90 1wsj h ARG 138 Cb 0.11 -0.02 -0.02 0.00 0.08 0.00 0.00 29.97 30.12 1wsj h ARG 138 CO -0.02 0.72 -0.61 0.00 -1.07 0.00 0.00 179.97 178.99 1wsj h ALA 139 N 1.28 0.95 -0.07 0.04 0.00 -0.74 -2.87 119.26 117.85 1wsj h ALA 139 Ca 0.05 -0.55 -0.19 0.00 0.00 0.00 0.00 54.91 54.22 1wsj h ALA 139 Cb 0.72 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.42 1wsj h ALA 139 CO 0.06 0.75 -0.76 0.00 0.00 0.00 0.00 179.25 179.30 1wsj h ALA 140 N 1.33 0.54 0.00 0.00 0.00 -0.90 -3.04 119.26 117.19 1wsj h ALA 140 Ca -0.01 -0.62 -0.05 0.00 0.00 0.00 0.00 54.91 54.24 1wsj h ALA 140 Cb 1.09 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.82 1wsj h ALA 140 CO 0.08 0.76 -0.22 0.00 0.00 0.00 0.00 179.25 179.88 1wsj h ALA 141 N 0.88 1.43 0.00 0.00 0.00 -1.17 -1.90 119.26 118.50 1wsj h ALA 141 Ca -0.04 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.67 1wsj h ALA 141 Cb 1.35 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.10 1wsj h ALA 141 CO 0.13 0.27 -0.19 -1.33 0.00 0.00 0.00 179.25 178.14 1wsj n MET 142 N -3.98 0.13 -3.19 0.00 2.81 -1.10 -4.16 117.12 107.64 1wsj n MET 142 Ca -0.02 0.08 -0.18 0.00 -1.81 0.00 0.00 57.70 55.77 1wsj n MET 142 Cb 0.30 -1.63 -0.03 0.00 -0.71 0.00 0.00 33.22 31.15 1wsj n MET 142 CO 0.00 0.00 0.00 0.09 1.51 0.00 0.00 175.97 177.57 1wsj n ASN 143 N -1.84 0.86 -4.77 7.83 4.13 -0.76 -5.11 115.26 115.59 1wsj n ASN 143 Ca 0.06 -3.01 -0.41 0.00 1.68 0.00 0.00 54.58 52.90 1wsj n ASN 143 Cb 0.38 -0.62 -0.02 0.00 -1.54 0.00 0.00 39.78 37.99 1wsj n ASN 143 CO 0.00 0.00 0.00 -2.16 0.28 0.00 0.00 177.26 175.38 1wsj s PRO 144 N -2.41 4.33 0.00 3.52 0.04 -0.93 -4.65 135.00 134.90 1wsj s PRO 144 Ca 0.40 2.24 0.00 0.00 0.04 0.00 0.00 61.00 63.68 1wsj s PRO 144 Cb 0.34 -3.05 0.00 0.00 0.04 0.00 0.00 34.50 31.83 1wsj s PRO 144 CO -0.08 -0.22 0.15 0.25 0.04 0.00 0.00 177.00 177.14 1wsj n THR 145 N 0.75 0.00 -4.45 1.26 -2.24 -0.65 -4.80 114.28 104.15 1wsj n THR 145 Ca 0.00 -0.26 -0.23 0.00 -2.27 0.00 0.00 64.05 61.29 1wsj n THR 145 Cb 0.42 1.27 -0.10 0.00 -2.10 0.00 0.00 70.33 69.82 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 -0.45 2.59 -0.17 3.22 1.43 -0.35 -4.99 118.68 119.96 1wsj s LEU 146 Ca 0.00 -1.04 -0.06 0.00 -1.03 0.00 0.00 54.13 51.99 1wsj s LEU 146 Cb 0.00 -1.00 -0.04 0.00 0.03 0.00 0.00 46.19 45.19 1wsj s LEU 146 CO 0.00 -0.03 0.03 -0.70 0.23 0.00 0.00 176.35 175.88 1wsj s GLU 147 N -3.55 3.87 -1.08 1.70 2.12 -1.26 -0.80 118.70 119.70 1wsj s GLU 147 Ca 0.29 -0.41 -0.19 0.00 0.36 0.00 0.00 54.97 55.02 1wsj s GLU 147 Cb -0.03 -3.10 0.10 0.00 0.26 0.00 0.00 34.13 31.35 1wsj s GLU 147 CO 0.13 0.27 1.41 0.34 -0.54 0.00 0.00 175.26 176.87 1wsj s ASP 148 N 0.35 6.69 0.26 -1.70 3.68 -1.26 -4.84 116.67 119.85 1wsj s ASP 148 Ca 0.00 -2.06 -0.02 0.00 2.13 0.00 0.00 52.55 52.61 1wsj s ASP 148 Cb -0.13 -2.50 0.50 0.00 -1.45 0.00 0.00 42.92 39.34 1wsj s ASP 148 CO 0.01 -1.20 1.78 0.74 0.13 0.00 0.00 175.17 176.63 1wsj h THR 149 N 5.95 0.79 0.00 1.71 2.02 -1.95 -2.16 112.91 119.26 1wsj h THR 149 Ca 0.26 -0.24 0.00 0.00 0.77 0.00 0.00 66.41 67.20 1wsj h THR 149 Cb 0.96 0.04 0.00 0.00 -1.74 0.00 0.00 68.15 67.42 1wsj h THR 149 CO 1.32 0.13 0.00 0.61 0.37 0.00 0.00 175.52 177.94 1wsj n GLY 150 N -1.32 -0.83 3.69 2.16 0.00 -1.26 -4.80 105.19 102.82 1wsj n GLY 150 Ca 0.16 -0.10 -0.42 0.00 0.00 0.00 0.00 46.02 45.65 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 -2.38 3.17 -0.16 1.61 6.14 -0.82 -4.96 117.35 119.96 1wsj s TYR 151 Ca 0.22 1.18 -0.01 0.00 0.64 0.00 0.00 57.07 59.11 1wsj s TYR 151 Cb 0.13 -3.45 -0.01 0.00 0.42 0.00 0.00 41.96 39.06 1wsj s TYR 151 CO 0.28 -1.44 -0.13 -0.65 0.64 0.00 0.00 175.55 174.25 1wsj s GLN 152 N 2.16 3.31 0.24 4.97 -0.21 -1.26 -5.08 119.66 123.78 1wsj s GLN 152 Ca 0.57 -0.70 -0.31 0.00 0.02 0.00 0.00 55.36 54.93 1wsj s GLN 152 Cb -0.26 -2.69 -0.13 0.00 1.00 0.00 0.00 33.01 30.93 1wsj s GLN 152 CO 0.23 0.06 1.42 0.28 -2.12 0.00 0.00 175.29 175.16 1wsj n VAL 153 N 3.97 0.90 -1.63 1.09 0.31 -1.26 -4.89 118.33 116.82 1wsj n VAL 153 Ca -0.19 -0.23 -0.43 0.00 -0.01 0.00 0.00 64.34 63.49 1wsj n VAL 153 Cb 0.52 -1.50 -0.00 0.00 -0.91 0.00 0.00 33.84 31.95 1wsj n VAL 153 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 1wsj n GLU 154 N 2.10 1.61 0.00 5.55 4.71 -1.26 -5.24 120.64 128.12 1wsj n GLU 154 Ca 0.12 0.57 0.00 0.00 -0.01 0.00 0.00 57.16 57.84 1wsj n GLU 154 Cb 0.31 -2.08 0.00 0.00 -1.01 0.00 0.00 31.44 28.67 1wsj n GLU 154 CO 0.00 0.00 0.00 1.33 0.09 0.00 0.00 177.13 178.55