#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wrj n PHE 12 N 0.00 0.00 0.00 5.58 1.16 -1.26 -4.89 117.46 118.06 2wrj n PHE 12 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 57.45 55.58 2wrj n PHE 12 Cb 0.00 -0.01 0.00 0.00 -1.61 0.00 0.00 39.48 37.86 2wrj n PHE 12 CO 0.00 0.00 0.00 2.89 -1.87 0.00 0.00 176.76 177.78 2wrj n ARG 13 N 0.36 0.00 0.00 3.97 1.85 -1.26 -4.70 116.66 116.88 2wrj n ARG 13 Ca 0.18 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 57.03 2wrj n ARG 13 Cb 0.40 0.00 0.00 0.00 -1.05 0.00 0.00 32.46 31.81 2wrj n ARG 13 CO 0.00 0.00 0.00 0.28 -0.01 0.00 0.00 177.63 177.90 2wrj n VAL 14 N 0.00 0.00 -2.48 8.89 0.31 -1.26 -4.80 118.33 118.98 2wrj n VAL 14 Ca 0.00 0.00 -0.04 0.00 -0.01 0.00 0.00 64.34 64.29 2wrj n VAL 14 Cb 0.00 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 32.93 2wrj n VAL 14 CO 0.00 0.00 0.00 0.54 -1.32 0.00 0.00 176.83 176.05 2wrj n ARG 15 N 0.00 -0.22 -0.01 5.55 1.74 -1.26 -4.75 116.66 117.71 2wrj n ARG 15 Ca 0.00 0.12 0.08 0.00 -0.77 0.00 0.00 57.85 57.28 2wrj n ARG 15 Cb 0.00 -0.30 -0.12 0.00 -1.02 0.00 0.00 32.46 31.02 2wrj n ARG 15 CO 0.00 0.00 0.00 0.27 -1.52 0.00 0.00 177.63 176.38 2wrj n ASN 16 N 0.18 1.08 0.00 0.55 0.23 -1.26 -4.07 115.26 111.97 2wrj n ASN 16 Ca -0.04 -0.17 0.04 0.00 -0.53 0.00 0.00 54.58 53.88 2wrj n ASN 16 Cb 0.10 1.62 0.22 0.00 -2.08 0.00 0.00 39.78 39.63 2wrj n ASN 16 CO 0.00 0.00 0.00 -2.11 -0.93 0.00 0.00 177.26 174.22 2wrj n ARG 17 N -1.95 0.10 0.00 -3.83 1.85 -1.26 0.18 116.66 111.75 2wrj n ARG 17 Ca -0.02 0.23 0.11 0.00 -1.00 0.00 0.00 57.85 57.17 2wrj n ARG 17 Cb 0.40 -1.50 0.63 0.00 -1.05 0.00 0.00 32.46 30.94 2wrj n ARG 17 CO 0.00 0.00 0.00 -0.89 -0.01 0.00 0.00 177.63 176.73 2wrj n ILE 18 N -1.33 0.00 -0.15 8.89 5.41 -1.26 -2.44 119.36 128.49 2wrj n ILE 18 Ca 0.04 0.00 -0.05 0.00 1.00 0.00 0.00 62.75 63.74 2wrj n ILE 18 Cb 0.08 -0.41 0.16 0.00 -0.71 0.00 0.00 39.64 38.76 2wrj n ILE 18 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 176.55 177.72 2wrj n LYS 19 N -0.86 2.41 -3.30 0.38 4.81 0.13 -4.85 118.16 116.87 2wrj n LYS 19 Ca 0.16 -1.71 -0.42 0.00 -0.87 0.00 0.00 58.31 55.47 2wrj n LYS 19 Cb 0.07 -1.79 -0.08 0.00 0.02 0.00 0.00 35.03 33.25 2wrj n LYS 19 CO 0.00 0.00 0.00 1.03 1.17 0.00 0.00 177.40 179.60 2wrj s ARG 20 N -1.90 3.26 -0.30 1.64 1.81 -1.02 -4.97 118.95 117.47 2wrj s ARG 20 Ca 0.31 -0.59 0.04 0.00 -1.72 0.00 0.00 55.73 53.77 2wrj s ARG 20 Cb 0.25 -3.92 0.17 0.00 -0.45 0.00 0.00 34.95 31.01 2wrj s ARG 20 CO 0.07 -0.79 0.48 0.99 -0.68 0.00 0.00 175.30 175.38 2wrj s THR 21 N 2.22 -0.76 0.00 0.02 2.01 -1.26 -4.88 115.64 112.99 2wrj s THR 21 Ca 0.14 -0.22 0.00 0.00 0.31 0.00 0.00 61.69 61.92 2wrj s THR 21 Cb -0.16 -0.92 0.00 0.00 0.01 0.00 0.00 72.50 71.43 2wrj s THR 21 CO 0.14 -0.19 0.00 0.61 -0.69 0.00 0.00 174.62 174.49 2wrj n GLY 22 N 5.26 0.00 0.37 4.40 0.00 -1.26 -5.14 105.19 108.82 2wrj n GLY 22 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.05 2wrj n GLY 22 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2wrj n ARG 23 N 0.00 0.00 -2.99 1.61 1.74 -1.26 -4.94 116.66 110.82 2wrj n ARG 23 Ca 0.00 0.00 -0.12 0.00 -0.77 0.00 0.00 57.85 56.96 2wrj n ARG 23 Cb 0.00 -0.37 0.01 0.00 -1.02 0.00 0.00 32.46 31.09 2wrj n ARG 23 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 2wrj n LEU 24 N -1.58 -6.45 -4.87 0.55 7.99 -1.26 -4.60 117.00 106.78 2wrj n LEU 24 Ca 0.00 0.59 -0.30 0.00 -0.01 0.00 0.00 56.01 56.29 2wrj n LEU 24 Cb 0.48 -2.86 0.18 0.00 -0.11 0.00 0.00 43.42 41.11 2wrj n LEU 24 CO 0.00 -1.99 0.82 -0.60 -1.51 0.00 0.00 177.39 174.10 2wrj s ARG 25 N -2.21 0.55 -0.46 3.23 3.52 -0.46 -2.57 118.95 120.56 2wrj s ARG 25 Ca 0.20 -0.24 0.06 0.00 -0.13 0.00 0.00 55.73 55.62 2wrj s ARG 25 Cb -0.04 -1.82 0.21 0.00 -1.56 0.00 0.00 34.95 31.74 2wrj s ARG 25 CO 0.72 -2.50 0.65 -0.11 -0.81 0.00 0.00 175.30 173.25 2wrj n LEU 26 N -3.87 -1.91 -4.60 -0.88 0.00 -1.09 -3.17 117.00 101.49 2wrj n LEU 26 Ca 0.13 -3.71 -0.29 0.00 0.00 0.00 0.00 56.01 52.14 2wrj n LEU 26 Cb 0.60 0.71 0.21 0.00 0.00 0.00 0.00 43.42 44.93 2wrj n LEU 26 CO 0.48 1.97 0.59 -0.44 0.00 0.00 0.00 177.39 179.99 2wrj s SER 27 N -0.47 1.99 0.00 1.96 0.01 -1.23 -2.61 113.70 113.34 2wrj s SER 27 Ca 0.32 1.41 0.00 0.00 1.31 0.00 0.00 55.95 59.00 2wrj s SER 27 Cb 0.11 -2.12 0.00 0.00 0.21 0.00 0.00 66.02 64.22 2wrj s SER 27 CO -0.15 -3.56 0.00 0.52 0.41 0.00 0.00 173.24 170.46 2wrj n VAL 28 N -4.48 0.00 -3.21 3.43 0.31 -1.26 -2.20 118.33 110.92 2wrj n VAL 28 Ca 0.05 0.00 0.04 0.00 -0.01 0.00 0.00 64.34 64.42 2wrj n VAL 28 Cb 0.55 0.00 -0.03 0.00 -0.91 0.00 0.00 33.84 33.46 2wrj n VAL 28 CO 0.00 0.00 0.00 0.12 -1.32 0.00 0.00 176.83 175.63 2wrj s PHE 29 N -5.05 -0.35 -1.01 3.52 5.99 -1.07 -4.73 117.98 115.28 2wrj s PHE 29 Ca 0.00 0.48 -0.14 0.00 0.00 0.00 0.00 56.93 57.26 2wrj s PHE 29 Cb 0.00 0.16 0.20 0.00 0.00 0.00 0.00 43.02 43.38 2wrj s PHE 29 CO 0.00 -0.18 1.10 0.50 -0.00 0.00 0.00 175.22 176.64 2wrj s ARG 30 N 2.62 3.85 0.55 10.12 6.06 -1.26 -1.15 118.95 139.74 2wrj s ARG 30 Ca -0.03 -2.47 -0.20 0.00 -2.50 0.00 0.00 55.73 50.54 2wrj s ARG 30 Cb -0.06 -4.74 -0.05 0.00 0.06 0.00 0.00 34.95 30.15 2wrj s ARG 30 CO -0.13 -1.53 1.20 0.45 -2.50 0.00 0.00 175.30 172.80 2wrj s SER 31 N 2.54 5.48 0.19 -2.12 0.15 -0.69 -4.88 113.70 114.37 2wrj s SER 31 Ca 0.31 2.38 -0.12 0.00 0.70 0.00 0.00 55.95 59.22 2wrj s SER 31 Cb -0.07 -2.60 0.20 0.00 -1.71 0.00 0.00 66.02 61.84 2wrj s SER 31 CO -0.07 -1.39 1.76 -0.07 1.20 0.00 0.00 173.24 174.67 2wrj h LEU 32 N 1.24 0.26 0.00 3.45 3.38 -2.05 -3.31 115.31 118.29 2wrj h LEU 32 Ca -0.50 0.06 0.00 0.00 0.09 0.00 0.00 57.88 57.52 2wrj h LEU 32 Cb 1.28 0.02 0.00 0.00 0.09 0.00 0.00 40.66 42.05 2wrj h LEU 32 CO 0.57 0.17 -0.00 0.50 0.09 0.00 0.00 178.44 179.77 2wrj h LYS 33 N 0.42 0.00 0.00 1.13 3.64 -2.01 -3.49 116.57 116.26 2wrj h LYS 33 Ca 0.26 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.64 2wrj h LYS 33 Cb 0.26 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.08 2wrj h LYS 33 CO -0.24 0.00 0.00 0.72 -2.27 0.00 0.00 179.45 177.66 2wrj n HIS 34 N -3.44 0.00 -3.67 1.91 8.25 -1.25 -4.99 115.22 112.03 2wrj n HIS 34 Ca -0.00 0.00 -0.09 0.00 -0.26 0.00 0.00 57.72 57.37 2wrj n HIS 34 Cb 0.00 0.00 -0.09 0.00 1.12 0.00 0.00 29.99 31.02 2wrj n HIS 34 CO 0.00 0.00 0.00 -1.50 0.64 0.00 0.00 176.34 175.48 2wrj s ILE 35 N 1.83 -0.01 0.52 1.59 2.07 -1.26 -1.71 121.20 124.23 2wrj s ILE 35 Ca 0.00 0.05 0.02 0.00 -1.41 0.00 0.00 60.65 59.32 2wrj s ILE 35 Cb 0.00 -0.77 0.02 0.00 0.13 0.00 0.00 42.46 41.84 2wrj s ILE 35 CO 0.00 0.02 0.17 -1.22 -1.91 0.00 0.00 174.94 172.00 2wrj n TYR 36 N 4.26 0.42 0.00 3.50 4.02 -0.30 -1.85 117.16 127.21 2wrj n TYR 36 Ca -0.22 -2.40 0.00 0.00 -0.01 0.00 0.00 57.90 55.27 2wrj n TYR 36 Cb 0.57 -0.38 0.00 0.00 -0.02 0.00 0.00 39.34 39.51 2wrj n TYR 36 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 2wrj n ALA 37 N -1.61 0.00 -3.00 -0.72 0.00 -1.22 -2.59 120.51 111.37 2wrj n ALA 37 Ca -0.19 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.25 2wrj n ALA 37 Cb 0.63 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.08 2wrj n ALA 37 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 2wrj n GLN 38 N -0.81 1.89 -3.32 0.00 6.02 -0.94 -2.55 117.38 117.68 2wrj n GLN 38 Ca 0.00 0.00 -0.09 0.00 -0.01 0.00 0.00 57.00 56.90 2wrj n GLN 38 Cb 0.00 0.00 -0.07 0.00 1.02 0.00 0.00 30.24 31.19 2wrj n GLN 38 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 2wrj s ILE 39 N -0.06 -0.63 0.35 5.09 1.01 -1.25 -3.53 121.20 122.18 2wrj s ILE 39 Ca 0.00 -0.17 0.08 0.00 0.00 0.00 0.00 60.65 60.57 2wrj s ILE 39 Cb 0.00 -0.90 -0.05 0.00 0.01 0.00 0.00 42.46 41.52 2wrj s ILE 39 CO 0.00 -0.19 0.07 -0.63 0.00 0.00 0.00 174.94 174.19 2wrj s ILE 40 N 2.55 2.66 -0.09 2.92 1.01 -1.19 -0.62 121.20 128.45 2wrj s ILE 40 Ca 0.12 -1.86 -0.04 0.00 0.00 0.00 0.00 60.65 58.87 2wrj s ILE 40 Cb -0.14 -2.88 0.05 0.00 0.01 0.00 0.00 42.46 39.50 2wrj s ILE 40 CO -0.22 -0.16 0.17 -0.62 0.00 0.00 0.00 174.94 174.11 2wrj s ASP 41 N -3.78 0.55 1.08 3.58 2.15 -1.11 -1.35 116.67 117.81 2wrj s ASP 41 Ca 0.36 0.37 -0.18 0.00 0.43 0.00 0.00 52.55 53.54 2wrj s ASP 41 Cb 0.00 0.33 0.25 0.00 -0.30 0.00 0.00 42.92 43.20 2wrj s ASP 41 CO 0.21 -0.23 1.23 0.47 -0.17 0.00 0.00 175.17 176.68 2wrj n ASP 42 N 5.15 -0.65 0.00 -0.34 9.92 -1.26 0.79 116.55 130.15 2wrj n ASP 42 Ca -0.08 -1.37 0.00 0.00 -0.53 0.00 0.00 54.79 52.81 2wrj n ASP 42 Cb 0.50 -1.00 0.00 0.00 -0.64 0.00 0.00 41.12 39.98 2wrj n ASP 42 CO 0.00 0.00 0.00 -0.62 0.13 0.00 0.00 177.20 176.71 2wrj n GLU 43 N -4.13 0.00 0.00 -1.24 1.02 -1.26 -3.87 120.64 111.15 2wrj n GLU 43 Ca 0.16 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.30 2wrj n GLU 43 Cb 0.57 -1.20 0.00 0.00 -0.02 0.00 0.00 31.44 30.80 2wrj n GLU 43 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 2wrj n LYS 44 N -1.88 2.92 -3.98 3.49 4.76 -1.24 -5.06 118.16 117.16 2wrj n LYS 44 Ca 0.00 0.00 -0.38 0.00 -2.87 0.00 0.00 58.31 55.06 2wrj n LYS 44 Cb 0.00 -0.63 0.01 0.00 -1.84 0.00 0.00 35.03 32.57 2wrj n LYS 44 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2wrj n GLY 45 N 0.86 -0.70 3.22 0.72 0.00 0.24 -4.97 105.19 104.56 2wrj n GLY 45 Ca 0.00 0.32 -0.24 0.00 0.00 0.00 0.00 46.02 46.11 2wrj n GLY 45 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2wrj s VAL 46 N -3.68 1.50 -0.49 1.61 1.01 -0.94 -4.93 120.40 114.47 2wrj s VAL 46 Ca 0.36 -1.18 -0.27 0.00 0.00 0.00 0.00 61.98 60.89 2wrj s VAL 46 Cb -0.17 -1.32 0.03 0.00 0.00 0.00 0.00 36.38 34.91 2wrj s VAL 46 CO 0.93 0.11 1.04 -0.89 0.00 0.00 0.00 175.10 176.29 2wrj s THR 47 N -0.86 4.31 -0.81 3.92 2.01 -1.26 -2.74 115.64 120.20 2wrj s THR 47 Ca 0.05 0.89 0.26 0.00 0.31 0.00 0.00 61.69 63.20 2wrj s THR 47 Cb -0.09 -4.55 0.13 0.00 0.01 0.00 0.00 72.50 68.01 2wrj s THR 47 CO 0.02 -0.99 1.57 0.18 -0.69 0.00 0.00 174.62 174.70 2wrj n LEU 48 N 7.61 0.54 0.00 4.42 4.32 0.21 -4.94 117.00 129.15 2wrj n LEU 48 Ca 0.08 0.31 -0.10 0.00 -0.02 0.00 0.00 56.01 56.28 2wrj n LEU 48 Cb 0.49 -0.29 0.02 0.00 -1.62 0.00 0.00 43.42 42.01 2wrj n LEU 48 CO 0.68 -0.03 0.47 0.52 -1.22 0.00 0.00 177.39 177.80 2wrj n VAL 49 N -1.89 0.00 -3.63 4.08 0.31 -1.23 -4.99 118.33 110.98 2wrj n VAL 49 Ca 0.05 -1.16 -0.05 0.00 -0.01 0.00 0.00 64.34 63.17 2wrj n VAL 49 Cb 0.39 1.03 -0.06 0.00 -0.91 0.00 0.00 33.84 34.29 2wrj n VAL 49 CO 0.00 0.00 0.00 -0.94 -1.32 0.00 0.00 176.83 174.57 2wrj s SER 50 N -3.12 -0.15 -0.30 4.52 1.04 -1.26 -3.93 113.70 110.49 2wrj s SER 50 Ca 0.19 0.24 -0.14 0.00 0.48 0.00 0.00 55.95 56.72 2wrj s SER 50 Cb -0.04 0.22 0.16 0.00 0.10 0.00 0.00 66.02 66.46 2wrj s SER 50 CO 0.14 -0.09 0.94 0.00 0.98 0.00 0.00 173.24 175.21 2wrj s ALA 51 N -0.48 -2.67 0.00 5.32 0.00 -1.06 -4.85 121.76 118.03 2wrj s ALA 51 Ca 0.06 2.04 0.00 0.00 0.00 0.00 0.00 51.96 54.06 2wrj s ALA 51 Cb -0.03 -2.05 0.00 0.00 0.00 0.00 0.00 23.12 21.04 2wrj s ALA 51 CO -0.09 -0.99 0.00 0.43 0.00 0.00 0.00 175.76 175.11 2wrj n SER 52 N 5.07 0.25 0.00 0.00 7.64 -1.26 -3.46 113.62 121.86 2wrj n SER 52 Ca -0.09 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.79 2wrj n SER 52 Cb 0.52 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.72 2wrj n SER 52 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 2wrj n SER 53 N 0.00 0.00 0.30 6.43 2.88 -0.77 -4.62 113.62 117.84 2wrj n SER 53 Ca 0.00 0.00 0.16 0.00 -1.33 0.00 0.00 58.87 57.70 2wrj n SER 53 Cb 0.00 0.00 0.92 0.00 -0.75 0.00 0.00 64.21 64.38 2wrj n SER 53 CO 0.00 0.00 0.00 0.25 -1.23 0.00 0.00 175.04 174.06 2wrj h LEU 54 N 0.00 0.00 -1.73 2.46 7.12 -1.78 1.24 115.31 122.63 2wrj h LEU 54 Ca 0.00 0.00 0.07 0.00 0.13 0.00 0.00 57.88 58.08 2wrj h LEU 54 Cb 0.00 0.00 -0.02 0.00 -0.53 0.00 0.00 40.66 40.11 2wrj h LEU 54 CO 0.00 0.03 0.30 0.00 -0.13 0.00 0.00 178.44 178.64 2wrj h ALA 55 N 1.97 1.99 -0.96 1.25 0.00 -1.91 0.11 119.26 121.71 2wrj h ALA 55 Ca -0.00 -0.01 -0.62 0.00 0.00 0.00 0.00 54.91 54.27 2wrj h ALA 55 Cb 0.09 -0.08 -0.30 0.00 0.00 0.00 0.00 17.79 17.51 2wrj h ALA 55 CO 0.00 -0.08 0.69 -0.11 0.00 0.00 0.00 179.25 179.76 2wrj n LEU 56 N -4.47 7.22 0.00 0.00 0.00 0.42 -4.90 117.00 115.28 2wrj n LEU 56 Ca 0.06 -4.17 0.00 0.00 0.00 0.00 0.00 56.01 51.90 2wrj n LEU 56 Cb 0.28 -0.90 0.00 0.00 0.00 0.00 0.00 43.42 42.80 2wrj n LEU 56 CO 0.35 1.42 0.00 0.29 0.00 0.00 0.00 177.39 179.45 2wrj n LYS 57 N -0.96 -0.09 -0.58 1.96 4.76 0.39 -4.89 118.16 118.75 2wrj n LYS 57 Ca 0.60 0.01 -0.30 0.00 -2.87 0.00 0.00 58.31 55.75 2wrj n LYS 57 Cb 0.90 -2.75 0.21 0.00 -1.84 0.00 0.00 35.03 31.55 2wrj n LYS 57 CO 0.00 0.00 0.00 -0.11 -1.37 0.00 0.00 177.40 175.92 2wrj n LEU 58 N 0.00 -1.40 -4.13 -0.35 7.94 -1.05 -4.91 117.00 113.10 2wrj n LEU 58 Ca 0.00 -0.08 -0.36 0.00 -1.11 0.00 0.00 56.01 54.46 2wrj n LEU 58 Cb 0.01 -1.16 0.08 0.00 0.53 0.00 0.00 43.42 42.88 2wrj n LEU 58 CO 0.00 -3.18 -1.25 1.17 -1.11 0.00 0.00 177.39 173.02 2wrj n LYS 59 N -3.64 -0.43 -1.74 1.96 4.81 -1.26 -4.36 118.16 113.51 2wrj n LYS 59 Ca 0.03 -0.12 -0.34 0.00 -0.87 0.00 0.00 58.31 57.02 2wrj n LYS 59 Cb 0.57 -1.30 0.05 0.00 0.02 0.00 0.00 35.03 34.37 2wrj n LYS 59 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 2wrj n GLY 60 N 2.85 5.88 3.67 3.14 0.00 -1.26 -4.44 105.19 115.02 2wrj n GLY 60 Ca -0.00 -2.47 -0.24 0.00 0.00 0.00 0.00 46.02 43.31 2wrj n GLY 60 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 2wrj s ASN 61 N -2.10 4.41 0.00 1.61 3.84 -1.26 -5.14 114.94 116.30 2wrj s ASN 61 Ca 0.57 -0.88 0.00 0.00 0.21 0.00 0.00 52.86 52.76 2wrj s ASN 61 Cb 0.46 -0.63 0.00 0.00 -0.55 0.00 0.00 41.25 40.53 2wrj s ASN 61 CO -0.14 -0.24 0.00 0.29 -2.79 0.00 0.00 177.10 174.22 2wrj n LYS 62 N -1.03 0.00 -0.01 0.43 4.76 -1.26 -4.42 118.16 116.63 2wrj n LYS 62 Ca -0.04 0.00 -0.07 0.00 -2.87 0.00 0.00 58.31 55.33 2wrj n LYS 62 Cb 0.62 0.00 -0.05 0.00 -1.84 0.00 0.00 35.03 33.76 2wrj n LYS 62 CO 0.00 0.00 0.00 1.79 -1.37 0.00 0.00 177.40 177.82 2wrj h THR 63 N 0.00 0.00 -0.67 -0.18 1.35 -2.00 -2.65 112.91 108.76 2wrj h THR 63 Ca 0.00 0.00 0.10 0.00 -0.55 0.00 0.00 66.41 65.96 2wrj h THR 63 Cb 0.00 0.00 -0.10 0.00 -1.73 0.00 0.00 68.15 66.32 2wrj h THR 63 CO 0.00 0.00 -0.29 -0.62 -0.25 0.00 0.00 175.52 174.36 2wrj n GLU 64 N -3.92 -0.18 -0.32 4.72 4.71 -1.26 0.17 120.64 124.56 2wrj n GLU 64 Ca -0.03 1.03 0.18 0.00 -0.01 0.00 0.00 57.16 58.33 2wrj n GLU 64 Cb 0.18 -1.53 0.38 0.00 -1.01 0.00 0.00 31.44 29.45 2wrj n GLU 64 CO 0.00 0.00 0.00 0.28 0.09 0.00 0.00 177.13 177.50 2wrj h VAL 65 N 0.00 0.32 0.00 2.62 2.07 -1.68 0.94 116.25 120.52 2wrj h VAL 65 Ca 0.21 -0.10 0.00 0.00 0.82 0.00 0.00 66.70 67.63 2wrj h VAL 65 Cb 0.38 0.01 0.00 0.00 -1.52 0.00 0.00 31.29 30.16 2wrj h VAL 65 CO -0.66 0.05 0.00 0.00 0.02 0.00 0.00 177.57 176.99 2wrj n ALA 66 N -2.50 1.33 -0.04 1.67 0.00 0.45 -1.01 120.51 120.42 2wrj n ALA 66 Ca 0.26 0.00 -0.07 0.00 0.00 0.00 0.00 53.44 53.63 2wrj n ALA 66 Cb 0.82 -0.96 -0.02 0.00 0.00 0.00 0.00 19.45 19.28 2wrj n ALA 66 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2wrj n ARG 67 N -1.10 0.31 -0.03 0.00 1.74 0.32 -3.16 116.66 114.75 2wrj n ARG 67 Ca 0.00 0.13 -0.07 0.00 -0.77 0.00 0.00 57.85 57.13 2wrj n ARG 67 Cb 0.00 -1.04 -0.05 0.00 -1.02 0.00 0.00 32.46 30.35 2wrj n ARG 67 CO 0.00 0.00 0.00 1.96 -1.52 0.00 0.00 177.63 178.07 2wrj h GLN 68 N -0.58 -0.25 -0.53 5.56 4.20 -1.03 1.21 115.11 123.70 2wrj h GLN 68 Ca -0.06 0.02 0.15 0.00 0.06 0.00 0.00 58.65 58.82 2wrj h GLN 68 Cb 0.70 0.06 -0.02 0.00 0.30 0.00 0.00 27.48 28.51 2wrj h GLN 68 CO -0.04 -0.17 0.74 -0.24 -0.67 0.00 0.00 178.83 178.45 2wrj h VAL 69 N -0.26 0.16 0.00 -0.54 3.04 -1.36 -1.35 116.25 115.94 2wrj h VAL 69 Ca 0.02 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.71 2wrj h VAL 69 Cb 0.32 0.38 0.00 0.00 -2.01 0.00 0.00 31.29 29.98 2wrj h VAL 69 CO -0.25 0.00 0.00 0.61 -1.01 0.00 0.00 177.57 176.92 2wrj n GLY 70 N -1.53 -0.64 0.00 3.17 0.00 0.41 -1.80 105.19 104.80 2wrj n GLY 70 Ca 0.11 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.13 2wrj n GLY 70 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2wrj n ARG 71 N -0.66 0.00 -0.10 1.61 1.74 -0.43 -0.81 116.66 118.00 2wrj n ARG 71 Ca 0.00 0.06 -0.16 0.00 -0.77 0.00 0.00 57.85 56.99 2wrj n ARG 71 Cb 0.00 -1.53 -0.07 0.00 -1.02 0.00 0.00 32.46 29.84 2wrj n ARG 71 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2wrj n ALA 72 N -0.92 0.73 0.04 7.54 0.00 -0.55 -2.59 120.51 124.75 2wrj n ALA 72 Ca 0.00 -0.57 0.02 0.00 0.00 0.00 0.00 53.44 52.88 2wrj n ALA 72 Cb 0.03 -0.21 0.36 0.00 0.00 0.00 0.00 19.45 19.63 2wrj n ALA 72 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 2wrj h LEU 73 N -1.00 0.40 0.21 0.00 6.46 -0.17 -1.83 115.31 119.39 2wrj h LEU 73 Ca -0.24 -0.06 -0.01 0.00 -0.12 0.00 0.00 57.88 57.45 2wrj h LEU 73 Cb 1.03 -0.10 0.00 0.00 -0.73 0.00 0.00 40.66 40.86 2wrj h LEU 73 CO -0.14 0.45 -0.10 0.00 -0.62 0.00 0.00 178.44 178.03 2wrj h ALA 74 N 1.60 -0.28 -0.47 1.25 0.00 -1.40 -2.95 119.26 117.02 2wrj h ALA 74 Ca 0.10 -0.21 0.09 0.00 0.00 0.00 0.00 54.91 54.88 2wrj h ALA 74 Cb 0.25 0.11 -0.10 0.00 0.00 0.00 0.00 17.79 18.05 2wrj h ALA 74 CO 0.00 -0.38 -0.34 1.49 0.00 0.00 0.00 179.25 180.02 2wrj h GLU 75 N -0.82 -0.22 -0.06 0.00 4.81 -1.29 -0.52 114.58 116.49 2wrj h GLU 75 Ca -0.03 0.01 0.01 0.00 -0.13 0.00 0.00 59.36 59.22 2wrj h GLU 75 Cb 0.51 0.05 -0.01 0.00 0.63 0.00 0.00 28.75 29.94 2wrj h GLU 75 CO 0.05 -0.15 -0.05 0.87 -0.73 0.00 0.00 179.01 179.00 2wrj h LYS 76 N -0.23 -0.02 -0.81 1.92 1.57 -1.40 -1.52 116.57 116.08 2wrj h LYS 76 Ca 0.19 0.00 0.23 0.00 -1.87 0.00 0.00 60.65 59.20 2wrj h LYS 76 Cb 0.55 0.01 -0.03 0.00 0.08 0.00 0.00 32.23 32.83 2wrj h LYS 76 CO -0.59 -0.02 0.58 0.00 -0.57 0.00 0.00 179.45 178.85 2wrj h ALA 77 N -1.08 2.76 0.00 3.86 0.00 -1.24 0.26 119.26 123.82 2wrj h ALA 77 Ca 0.01 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.89 2wrj h ALA 77 Cb 0.05 0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.90 2wrj h ALA 77 CO -0.07 -0.99 0.00 1.28 0.00 0.00 0.00 179.25 179.47 2wrj n LEU 78 N -4.30 0.00 -0.08 0.00 4.77 -0.25 -1.29 117.00 115.86 2wrj n LEU 78 Ca 0.16 0.46 -0.17 0.00 -0.03 0.00 0.00 56.01 56.42 2wrj n LEU 78 Cb 0.87 -0.46 -0.13 0.00 -2.33 0.00 0.00 43.42 41.38 2wrj n LEU 78 CO 0.38 -0.34 -1.10 0.00 -1.33 0.00 0.00 177.39 175.01 2wrj n ALA 79 N -1.46 1.27 0.89 -1.18 0.00 0.90 -4.08 120.51 116.85 2wrj n ALA 79 Ca 0.02 -0.95 0.07 0.00 0.00 0.00 0.00 53.44 52.59 2wrj n ALA 79 Cb 0.08 -0.35 0.43 0.00 0.00 0.00 0.00 19.45 19.62 2wrj n ALA 79 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 2wrj n LEU 80 N -3.26 0.00 0.00 0.00 4.77 -0.41 -4.80 117.00 113.30 2wrj n LEU 80 Ca -0.38 0.04 0.00 0.00 -0.03 0.00 0.00 56.01 55.65 2wrj n LEU 80 Cb 1.03 -0.04 0.00 0.00 -2.33 0.00 0.00 43.42 42.08 2wrj n LEU 80 CO 0.35 -0.02 0.00 0.61 -1.33 0.00 0.00 177.39 176.99 2wrj n GLY 81 N -0.07 0.58 3.77 -0.72 0.00 -1.00 -5.05 105.19 102.70 2wrj n GLY 81 Ca 0.11 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.75 2wrj n GLY 81 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2wrj s ILE 82 N -2.22 3.21 0.00 -0.61 -1.09 -0.61 -4.96 121.20 114.92 2wrj s ILE 82 Ca 0.00 1.00 0.00 0.00 -2.23 0.00 0.00 60.65 59.42 2wrj s ILE 82 Cb 0.00 -3.55 0.00 0.00 -1.58 0.00 0.00 42.46 37.33 2wrj s ILE 82 CO 0.00 0.08 0.00 1.17 -1.23 0.00 0.00 174.94 174.96 2wrj n LYS 83 N 0.03 0.00 -3.82 2.79 4.81 -1.26 -3.96 118.16 116.75 2wrj n LYS 83 Ca 0.05 0.00 -0.33 0.00 -0.87 0.00 0.00 58.31 57.16 2wrj n LYS 83 Cb 0.47 0.00 -0.05 0.00 0.02 0.00 0.00 35.03 35.47 2wrj n LYS 83 CO 0.00 0.00 0.00 1.14 1.17 0.00 0.00 177.40 179.71 2wrj s GLN 84 N 0.00 3.52 0.00 1.64 -2.07 -1.26 -1.36 119.66 120.13 2wrj s GLN 84 Ca 0.00 -0.22 0.00 0.00 -1.82 0.00 0.00 55.36 53.32 2wrj s GLN 84 Cb 0.00 -3.04 0.00 0.00 -1.09 0.00 0.00 33.01 28.88 2wrj s GLN 84 CO 0.00 0.62 0.00 1.33 -1.32 0.00 0.00 175.29 175.92 2wrj n VAL 85 N 0.72 0.00 -3.73 3.63 0.24 -1.26 -4.84 118.33 113.09 2wrj n VAL 85 Ca -0.08 0.00 -0.14 0.00 -2.04 0.00 0.00 64.34 62.08 2wrj n VAL 85 Cb 0.52 0.00 -0.08 0.00 -1.47 0.00 0.00 33.84 32.81 2wrj n VAL 85 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2wrj s ALA 86 N -1.49 -0.93 0.80 2.33 0.00 -1.06 -4.77 121.76 116.64 2wrj s ALA 86 Ca 0.00 0.54 -0.09 0.00 0.00 0.00 0.00 51.96 52.41 2wrj s ALA 86 Cb 0.00 -0.02 0.12 0.00 0.00 0.00 0.00 23.12 23.23 2wrj s ALA 86 CO 0.00 -0.27 1.13 0.12 0.00 0.00 0.00 175.76 176.74 2wrj s PHE 87 N -1.14 2.19 0.00 0.00 5.36 -1.26 -2.67 117.98 120.46 2wrj s PHE 87 Ca -0.12 0.27 0.00 0.00 -0.96 0.00 0.00 56.93 56.12 2wrj s PHE 87 Cb -0.04 -3.49 0.00 0.00 -0.34 0.00 0.00 43.02 39.15 2wrj s PHE 87 CO 0.05 -1.92 0.00 -3.47 -1.46 0.00 0.00 175.22 168.41 2wrj n ASP 88 N -3.22 0.00 -1.72 6.13 4.64 -1.07 -4.63 116.55 116.67 2wrj n ASP 88 Ca 0.12 0.00 0.00 0.00 -1.38 0.00 0.00 54.79 53.53 2wrj n ASP 88 Cb 0.60 0.00 0.00 0.00 -1.04 0.00 0.00 41.12 40.68 2wrj n ASP 88 CO 0.00 0.00 0.00 -1.14 -0.82 0.00 0.00 177.20 175.24 2wrj n ARG 89 N 0.00 -3.74 0.00 -0.67 3.00 -1.26 -4.73 116.66 109.26 2wrj n ARG 89 Ca 0.00 2.83 0.00 0.00 -0.00 0.00 0.00 57.85 60.68 2wrj n ARG 89 Cb 0.00 -3.13 0.00 0.00 0.00 0.00 0.00 32.46 29.33 2wrj n ARG 89 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 2wrj n GLY 90 N 1.29 -2.51 0.52 5.14 0.00 -1.26 -2.98 105.19 105.39 2wrj n GLY 90 Ca 0.00 0.02 0.00 0.00 0.00 0.00 0.00 46.02 46.04 2wrj n GLY 90 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2wrj n PRO 91 N -0.15 0.32 -0.02 1.61 -0.04 -1.26 -4.59 135.00 130.87 2wrj n PRO 91 Ca 0.00 0.00 -0.01 0.00 -0.04 0.00 0.00 63.50 63.45 2wrj n PRO 91 Cb 0.00 -1.17 -0.01 0.00 -0.04 0.00 0.00 33.50 32.29 2wrj n PRO 91 CO 0.00 0.00 0.00 2.48 -0.04 0.00 0.00 175.50 177.94 2wrj n TYR 92 N 0.36 -0.02 -3.35 0.54 4.11 -1.16 -4.86 117.16 112.78 2wrj n TYR 92 Ca 0.00 0.06 -0.17 0.00 -0.00 0.00 0.00 57.90 57.80 2wrj n TYR 92 Cb 0.08 -0.24 0.08 0.00 -0.00 0.00 0.00 39.34 39.27 2wrj n TYR 92 CO 0.00 0.00 0.00 1.17 -0.00 0.00 0.00 176.86 178.03 2wrj n LYS 93 N -2.66 -6.32 0.00 -3.48 3.00 -1.26 -4.46 118.16 102.98 2wrj n LYS 93 Ca 0.00 0.78 0.00 0.00 -0.00 0.00 0.00 58.31 59.09 2wrj n LYS 93 Cb 0.01 -5.60 0.00 0.00 0.00 0.00 0.00 35.03 29.44 2wrj n LYS 93 CO 0.00 0.00 0.00 0.98 0.00 0.00 0.00 177.40 178.38 2wrj n TYR 94 N -4.05 0.00 -3.57 5.64 9.36 -1.26 -4.72 117.16 118.56 2wrj n TYR 94 Ca -0.22 0.00 -0.00 0.00 3.32 0.00 0.00 57.90 61.00 2wrj n TYR 94 Cb 0.64 0.00 0.00 0.00 -0.63 0.00 0.00 39.34 39.35 2wrj n TYR 94 CO 0.00 0.00 0.00 1.58 0.22 0.00 0.00 176.86 178.66 2wrj n HIS 95 N 0.00 -0.67 0.00 2.98 -0.00 -1.26 -5.12 115.22 111.15 2wrj n HIS 95 Ca 0.00 -0.26 0.00 0.00 0.46 0.00 0.00 57.72 57.92 2wrj n HIS 95 Cb 0.00 0.13 0.00 0.00 -0.12 0.00 0.00 29.99 30.00 2wrj n HIS 95 CO 0.00 0.00 0.00 0.41 0.46 0.00 0.00 176.34 177.21 2wrj n GLY 96 N -0.16 1.80 1.74 1.57 0.00 -1.26 -3.67 105.19 105.20 2wrj n GLY 96 Ca -0.00 -0.08 0.00 0.00 0.00 0.00 0.00 46.02 45.93 2wrj n GLY 96 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 2wrj n ARG 97 N 12.28 0.00 -1.88 1.61 -4.01 -1.26 -4.80 116.66 118.60 2wrj n ARG 97 Ca 0.00 0.00 -0.42 0.00 -1.04 0.00 0.00 57.85 56.39 2wrj n ARG 97 Cb 0.00 -0.36 -0.03 0.00 -3.04 0.00 0.00 32.46 29.04 2wrj n ARG 97 CO 0.00 0.00 0.00 0.08 -3.04 0.00 0.00 177.63 174.67 2wrj s VAL 98 N 0.00 3.36 -0.61 8.89 1.01 -1.24 -4.78 120.40 127.03 2wrj s VAL 98 Ca 0.00 0.42 0.00 0.00 0.00 0.00 0.00 61.98 62.40 2wrj s VAL 98 Cb 0.00 -3.32 0.00 0.00 0.00 0.00 0.00 36.38 33.06 2wrj s VAL 98 CO 0.00 -0.10 0.27 0.29 0.00 0.00 0.00 175.10 175.57 2wrj n LYS 99 N 7.64 0.39 -1.48 2.72 4.76 -1.19 -4.49 118.16 126.51 2wrj n LYS 99 Ca 0.20 0.00 -0.19 0.00 -2.87 0.00 0.00 58.31 55.45 2wrj n LYS 99 Cb 0.43 -1.24 -0.19 0.00 -1.84 0.00 0.00 35.03 32.20 2wrj n LYS 99 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 2wrj n ALA 100 N 0.50 0.94 -2.48 7.82 0.00 -1.26 -4.81 120.51 121.22 2wrj n ALA 100 Ca 0.00 -0.96 -0.26 0.00 0.00 0.00 0.00 53.44 52.22 2wrj n ALA 100 Cb 0.14 -2.47 -0.13 0.00 0.00 0.00 0.00 19.45 16.99 2wrj n ALA 100 CO 0.00 0.00 0.00 -0.48 0.00 0.00 0.00 177.50 177.02 2wrj s LEU 101 N 2.99 2.28 0.00 0.00 0.05 -1.26 -4.95 118.68 117.79 2wrj s LEU 101 Ca 1.17 -0.67 0.00 0.00 0.05 0.00 0.00 54.13 54.68 2wrj s LEU 101 Cb -0.66 -1.02 0.00 0.00 -2.05 0.00 0.00 46.19 42.47 2wrj s LEU 101 CO 0.44 0.12 0.00 0.00 -0.55 0.00 0.00 176.35 176.36 2wrj n ALA 102 N 1.20 0.00 0.00 1.48 0.00 -1.26 -4.72 120.51 117.21 2wrj n ALA 102 Ca -0.19 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.25 2wrj n ALA 102 Cb 0.53 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.98 2wrj n ALA 102 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 2wrj n GLU 103 N 0.00 0.00 0.00 0.00 -0.58 -1.26 -4.71 120.64 114.09 2wrj n GLU 103 Ca 0.00 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.74 2wrj n GLU 103 Cb 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 31.44 30.87 2wrj n GLU 103 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2wrj n GLY 104 N 0.00 0.00 1.28 0.62 0.00 -1.26 -4.54 105.19 101.28 2wrj n GLY 104 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 2wrj n GLY 104 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2wrj n ALA 105 N 0.00 2.20 -0.22 4.61 0.00 -0.47 -3.80 120.51 122.84 2wrj n ALA 105 Ca 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 53.44 53.36 2wrj n ALA 105 Cb 0.00 -1.19 0.03 0.00 0.00 0.00 0.00 19.45 18.29 2wrj n ALA 105 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.50 177.41 2wrj h ARG 106 N 1.64 0.97 0.00 0.00 1.12 -1.79 -3.38 114.38 112.94 2wrj h ARG 106 Ca 0.00 -0.22 0.00 0.00 -1.11 0.00 0.00 59.98 58.65 2wrj h ARG 106 Cb 0.45 -0.13 0.00 0.00 -0.01 0.00 0.00 29.97 30.28 2wrj h ARG 106 CO 0.00 0.88 0.00 -1.91 -3.11 0.00 0.00 179.97 175.83 2wrj n GLU 107 N -4.36 0.00 -3.40 0.20 4.07 -1.25 -4.47 120.64 111.44 2wrj n GLU 107 Ca 0.04 0.00 -0.17 0.00 -0.06 0.00 0.00 57.16 56.97 2wrj n GLU 107 Cb 0.23 0.00 0.08 0.00 -0.06 0.00 0.00 31.44 31.69 2wrj n GLU 107 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 2wrj n GLY 108 N 1.98 -0.58 0.00 8.31 0.00 -1.26 -4.91 105.19 108.72 2wrj n GLY 108 Ca 0.00 0.24 0.00 0.00 0.00 0.00 0.00 46.02 46.26 2wrj n GLY 108 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93