#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wdn s PHE 12 N 0.00 3.40 0.10 5.58 -0.12 -1.26 -5.00 117.98 120.68 2wdn s PHE 12 Ca 0.00 0.38 -0.16 0.00 -0.05 0.00 0.00 56.93 57.10 2wdn s PHE 12 Cb 0.00 -2.24 -0.06 0.00 -0.63 0.00 0.00 43.02 40.09 2wdn s PHE 12 CO 0.00 0.22 1.50 0.00 -0.05 0.00 0.00 175.22 176.88 2wdn h ARG 13 N 6.89 0.64 0.00 1.99 -0.00 -2.06 -3.48 114.38 118.35 2wdn h ARG 13 Ca -0.40 -0.25 0.00 0.00 -0.50 0.00 0.00 59.98 58.83 2wdn h ARG 13 Cb 1.16 -0.03 0.00 0.00 0.00 0.00 0.00 29.97 31.10 2wdn h ARG 13 CO 0.74 0.82 0.00 0.28 0.00 0.00 0.00 179.97 181.81 2wdn n VAL 14 N -4.43 0.00 -1.81 2.04 0.31 -1.26 -4.87 118.33 108.32 2wdn n VAL 14 Ca -0.03 0.00 -0.20 0.00 -0.01 0.00 0.00 64.34 64.10 2wdn n VAL 14 Cb 0.34 0.00 -0.07 0.00 -0.91 0.00 0.00 33.84 33.21 2wdn n VAL 14 CO 0.00 0.00 0.00 0.54 -1.32 0.00 0.00 176.83 176.05 2wdn n ARG 15 N 12.40 -1.52 0.19 5.55 5.12 -1.26 -4.72 116.66 132.42 2wdn n ARG 15 Ca 0.00 1.13 0.08 0.00 -1.93 0.00 0.00 57.85 57.13 2wdn n ARG 15 Cb 0.00 -5.58 0.18 0.00 -1.16 0.00 0.00 32.46 25.90 2wdn n ARG 15 CO 0.00 0.00 0.00 -0.91 -1.93 0.00 0.00 177.63 174.79 2wdn h ASN 16 N 0.00 0.00 -0.25 0.55 4.21 -1.89 -3.40 115.58 114.79 2wdn h ASN 16 Ca -0.43 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.08 2wdn h ASN 16 Cb 1.32 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 38.52 2wdn h ASN 16 CO 0.59 0.25 0.00 -2.11 -1.29 0.00 0.00 177.43 174.88 2wdn n ARG 17 N -3.20 1.90 0.00 0.81 1.85 -1.26 -3.96 116.66 112.80 2wdn n ARG 17 Ca 0.02 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 56.87 2wdn n ARG 17 Cb 0.59 0.00 0.00 0.00 -1.05 0.00 0.00 32.46 32.00 2wdn n ARG 17 CO 0.00 0.00 0.00 -0.89 -0.01 0.00 0.00 177.63 176.73 2wdn n ILE 18 N 0.00 0.00 -0.39 8.89 2.08 -1.26 -4.49 119.36 124.19 2wdn n ILE 18 Ca 0.00 0.00 -0.02 0.00 0.56 0.00 0.00 62.75 63.29 2wdn n ILE 18 Cb 0.00 0.00 -0.03 0.00 -0.75 0.00 0.00 39.64 38.86 2wdn n ILE 18 CO 0.00 0.00 0.00 1.17 0.56 0.00 0.00 176.55 178.28 2wdn n LYS 19 N 0.00 0.79 -3.80 0.38 4.81 -1.25 -4.66 118.16 114.42 2wdn n LYS 19 Ca 0.00 -0.17 -0.36 0.00 -0.87 0.00 0.00 58.31 56.91 2wdn n LYS 19 Cb 0.00 -1.36 -0.12 0.00 0.02 0.00 0.00 35.03 33.56 2wdn n LYS 19 CO 0.00 0.00 0.00 1.03 1.17 0.00 0.00 177.40 179.60 2wdn s ARG 20 N 1.05 2.25 -0.04 1.64 1.81 -1.26 -4.88 118.95 119.52 2wdn s ARG 20 Ca 0.11 -1.55 0.23 0.00 -1.72 0.00 0.00 55.73 52.80 2wdn s ARG 20 Cb 0.05 -3.47 0.42 0.00 -0.45 0.00 0.00 34.95 31.50 2wdn s ARG 20 CO 0.00 -0.88 1.17 2.41 -0.68 0.00 0.00 175.30 177.32 2wdn n THR 21 N 4.66 0.37 -2.72 0.02 -1.04 -1.26 -4.85 114.28 109.45 2wdn n THR 21 Ca -0.07 -1.35 -0.01 0.00 -2.04 0.00 0.00 64.05 60.57 2wdn n THR 21 Cb 0.42 0.78 0.05 0.00 -1.82 0.00 0.00 70.33 69.76 2wdn n THR 21 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 2wdn n GLY 22 N 0.21 2.07 0.64 3.41 0.00 -1.26 -5.14 105.19 105.13 2wdn n GLY 22 Ca 0.08 -1.16 0.02 0.00 0.00 0.00 0.00 46.02 44.97 2wdn n GLY 22 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2wdn n ARG 23 N -0.48 -0.48 -2.95 1.61 1.74 -1.26 -4.66 116.66 110.18 2wdn n ARG 23 Ca 0.10 0.39 -0.01 0.00 -0.77 0.00 0.00 57.85 57.56 2wdn n ARG 23 Cb 0.85 -0.99 -0.01 0.00 -1.02 0.00 0.00 32.46 31.30 2wdn n ARG 23 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 2wdn n LEU 24 N -3.19 -5.27 0.00 0.55 7.99 -1.25 -4.03 117.00 111.79 2wdn n LEU 24 Ca -0.01 1.15 -0.18 0.00 -0.01 0.00 0.00 56.01 56.96 2wdn n LEU 24 Cb 0.10 -2.25 0.11 0.00 -0.11 0.00 0.00 43.42 41.27 2wdn n LEU 24 CO 0.01 -2.71 0.50 0.54 -1.51 0.00 0.00 177.39 174.21 2wdn n ARG 25 N 1.64 -0.45 -2.85 3.23 1.74 0.06 -0.69 116.66 119.34 2wdn n ARG 25 Ca -0.08 -1.55 -0.11 0.00 -0.77 0.00 0.00 57.85 55.34 2wdn n ARG 25 Cb 0.29 -0.71 0.05 0.00 -1.02 0.00 0.00 32.46 31.06 2wdn n ARG 25 CO 0.00 0.00 0.00 -0.11 -1.52 0.00 0.00 177.63 176.00 2wdn n LEU 26 N 0.00 -1.78 -4.70 0.55 0.00 -0.95 -3.21 117.00 106.91 2wdn n LEU 26 Ca 0.11 -3.89 -0.42 0.00 0.00 0.00 0.00 56.01 51.81 2wdn n LEU 26 Cb 0.39 0.85 -0.03 0.00 0.00 0.00 0.00 43.42 44.63 2wdn n LEU 26 CO 0.27 2.09 1.26 -0.55 0.00 0.00 0.00 177.39 180.46 2wdn s SER 27 N -1.56 6.65 -0.09 1.96 0.15 -0.90 -3.76 113.70 116.14 2wdn s SER 27 Ca 0.29 2.46 0.01 0.00 0.70 0.00 0.00 55.95 59.40 2wdn s SER 27 Cb 0.27 -2.57 -0.02 0.00 -1.71 0.00 0.00 66.02 61.99 2wdn s SER 27 CO -0.11 -0.83 -0.11 -0.69 1.20 0.00 0.00 173.24 172.70 2wdn s VAL 28 N 2.15 3.34 -0.17 4.45 1.01 -1.26 -1.26 120.40 128.65 2wdn s VAL 28 Ca 0.71 -0.59 -0.02 0.00 0.00 0.00 0.00 61.98 62.08 2wdn s VAL 28 Cb -0.39 -2.37 -0.01 0.00 0.00 0.00 0.00 36.38 33.61 2wdn s VAL 28 CO 0.31 0.56 -0.10 0.12 0.00 0.00 0.00 175.10 176.00 2wdn s PHE 29 N -0.31 2.88 -0.16 5.22 5.99 0.36 -4.36 117.98 127.59 2wdn s PHE 29 Ca 0.03 -0.83 -0.01 0.00 0.00 0.00 0.00 56.93 56.12 2wdn s PHE 29 Cb -0.13 -1.96 -0.01 0.00 0.00 0.00 0.00 43.02 40.92 2wdn s PHE 29 CO 0.02 -0.39 -0.10 0.50 -0.00 0.00 0.00 175.22 175.25 2wdn s ARG 30 N 0.89 3.41 0.25 10.12 6.06 -1.26 0.03 118.95 138.45 2wdn s ARG 30 Ca -0.02 -0.66 0.07 0.00 -2.50 0.00 0.00 55.73 52.63 2wdn s ARG 30 Cb -0.15 -2.75 -0.05 0.00 0.06 0.00 0.00 34.95 32.06 2wdn s ARG 30 CO 0.00 0.11 -0.10 -1.54 -2.50 0.00 0.00 175.30 171.27 2wdn s SER 31 N 0.65 2.73 0.44 -2.12 1.04 -1.09 -5.00 113.70 110.35 2wdn s SER 31 Ca -0.06 -1.11 0.30 0.00 0.48 0.00 0.00 55.95 55.56 2wdn s SER 31 Cb -0.15 -0.16 1.39 0.00 0.10 0.00 0.00 66.02 67.20 2wdn s SER 31 CO 0.03 -0.25 1.66 -0.07 0.98 0.00 0.00 173.24 175.59 2wdn h LEU 32 N 2.39 0.25 0.00 2.42 3.38 -2.06 -3.01 115.31 118.68 2wdn h LEU 32 Ca -0.39 0.11 -0.04 0.00 0.09 0.00 0.00 57.88 57.64 2wdn h LEU 32 Cb 1.23 0.09 -0.01 0.00 0.09 0.00 0.00 40.66 42.06 2wdn h LEU 32 CO 0.65 -0.11 -1.27 0.29 0.09 0.00 0.00 178.44 178.09 2wdn n LYS 33 N -4.60 1.86 0.00 1.13 4.76 -1.26 -5.10 118.16 114.96 2wdn n LYS 33 Ca 0.35 -0.02 0.00 0.00 -2.87 0.00 0.00 58.31 55.76 2wdn n LYS 33 Cb 1.35 -1.11 0.00 0.00 -1.84 0.00 0.00 35.03 33.43 2wdn n LYS 33 CO 0.00 0.00 0.00 0.72 -1.37 0.00 0.00 177.40 176.75 2wdn n HIS 34 N -1.94 0.00 -3.60 2.13 8.25 -1.14 -4.88 115.22 114.04 2wdn n HIS 34 Ca -0.04 0.00 -0.01 0.00 -0.26 0.00 0.00 57.72 57.41 2wdn n HIS 34 Cb 0.41 0.00 -0.06 0.00 1.12 0.00 0.00 29.99 31.46 2wdn n HIS 34 CO 0.00 0.00 0.00 -1.50 0.64 0.00 0.00 176.34 175.48 2wdn s ILE 35 N 1.01 -0.06 0.08 1.59 2.07 -1.26 -2.67 121.20 121.95 2wdn s ILE 35 Ca 0.00 0.00 0.07 0.00 -1.41 0.00 0.00 60.65 59.31 2wdn s ILE 35 Cb 0.00 -1.00 -0.03 0.00 0.13 0.00 0.00 42.46 41.56 2wdn s ILE 35 CO 0.00 0.00 -0.18 -0.31 -1.91 0.00 0.00 174.94 172.54 2wdn s TYR 36 N 1.44 1.58 -0.03 3.50 1.51 0.10 0.99 117.35 126.45 2wdn s TYR 36 Ca -0.08 -0.42 0.00 0.00 -1.01 0.00 0.00 57.07 55.57 2wdn s TYR 36 Cb -0.04 -0.89 0.02 0.00 -0.11 0.00 0.00 41.96 40.95 2wdn s TYR 36 CO -0.14 0.13 0.00 0.00 -1.11 0.00 0.00 175.55 174.43 2wdn s ALA 37 N -1.11 0.27 -0.03 3.71 0.00 -0.87 0.13 121.76 123.87 2wdn s ALA 37 Ca 0.04 0.16 0.07 0.00 0.00 0.00 0.00 51.96 52.23 2wdn s ALA 37 Cb -0.10 -0.28 -0.02 0.00 0.00 0.00 0.00 23.12 22.73 2wdn s ALA 37 CO 0.03 -0.06 -0.24 -0.65 0.00 0.00 0.00 175.76 174.84 2wdn s GLN 38 N 0.92 2.14 -0.70 0.00 -0.21 -0.39 -2.78 119.66 118.64 2wdn s GLN 38 Ca -0.09 -0.86 -0.16 0.00 0.02 0.00 0.00 55.36 54.27 2wdn s GLN 38 Cb -0.12 -1.97 0.17 0.00 1.00 0.00 0.00 33.01 32.09 2wdn s GLN 38 CO -0.02 0.46 0.69 0.42 -2.12 0.00 0.00 175.29 174.72 2wdn s ILE 39 N -0.40 5.30 0.03 1.08 -1.09 -0.40 -2.12 121.20 123.60 2wdn s ILE 39 Ca 0.04 -1.86 -0.14 0.00 -2.23 0.00 0.00 60.65 56.47 2wdn s ILE 39 Cb -0.11 -4.45 -0.06 0.00 -1.58 0.00 0.00 42.46 36.26 2wdn s ILE 39 CO 0.01 -1.02 0.42 -0.63 -1.23 0.00 0.00 174.94 172.49 2wdn s ILE 40 N 1.20 5.02 -0.38 2.92 1.01 -1.20 -1.40 121.20 128.38 2wdn s ILE 40 Ca 0.13 0.76 0.03 0.00 0.00 0.00 0.00 60.65 61.57 2wdn s ILE 40 Cb -0.19 -3.70 0.11 0.00 0.01 0.00 0.00 42.46 38.69 2wdn s ILE 40 CO -0.03 0.49 0.11 -0.62 0.00 0.00 0.00 174.94 174.89 2wdn s ASP 41 N -1.27 4.80 0.74 3.58 2.15 -0.08 -0.76 116.67 125.83 2wdn s ASP 41 Ca 0.27 -2.26 0.00 0.00 0.43 0.00 0.00 52.55 50.99 2wdn s ASP 41 Cb -0.16 -1.67 0.00 0.00 -0.30 0.00 0.00 42.92 40.79 2wdn s ASP 41 CO 0.15 -0.39 0.00 0.47 -0.17 0.00 0.00 175.17 175.23 2wdn n ASP 42 N 4.15 -1.24 0.00 -0.34 9.92 -1.26 -2.13 116.55 125.65 2wdn n ASP 42 Ca 0.03 -0.12 0.00 0.00 -0.53 0.00 0.00 54.79 54.17 2wdn n ASP 42 Cb 0.41 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 40.89 2wdn n ASP 42 CO 0.00 0.00 0.00 -0.62 0.13 0.00 0.00 177.20 176.71 2wdn n GLU 43 N -1.36 0.00 0.09 -1.24 -0.58 -1.26 -3.50 120.64 112.78 2wdn n GLU 43 Ca 0.00 0.00 0.13 0.00 -0.42 0.00 0.00 57.16 56.87 2wdn n GLU 43 Cb 0.00 0.00 0.45 0.00 -0.57 0.00 0.00 31.44 31.32 2wdn n GLU 43 CO 0.00 0.00 0.00 1.63 -0.48 0.00 0.00 177.13 178.28 2wdn n LYS 44 N 0.00 0.20 -3.56 3.49 5.02 -1.24 -4.96 118.16 117.10 2wdn n LYS 44 Ca 0.00 0.20 -0.24 0.00 -2.02 0.00 0.00 58.31 56.26 2wdn n LYS 44 Cb 0.00 -1.75 0.05 0.00 -0.02 0.00 0.00 35.03 33.31 2wdn n LYS 44 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2wdn n GLY 45 N 1.15 -0.81 3.26 0.72 0.00 -0.90 -5.02 105.19 103.59 2wdn n GLY 45 Ca 0.05 0.39 -0.10 0.00 0.00 0.00 0.00 46.02 46.36 2wdn n GLY 45 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2wdn s VAL 46 N -3.51 0.11 -0.00 1.61 1.01 -1.11 -5.03 120.40 113.48 2wdn s VAL 46 Ca 0.32 -0.87 0.02 0.00 0.00 0.00 0.00 61.98 61.45 2wdn s VAL 46 Cb -0.08 -1.22 -0.04 0.00 0.00 0.00 0.00 36.38 35.04 2wdn s VAL 46 CO 0.81 -0.48 -0.02 -0.89 0.00 0.00 0.00 175.10 174.52 2wdn s THR 47 N -3.71 4.00 -0.10 3.92 2.01 -1.26 -0.90 115.64 119.59 2wdn s THR 47 Ca 0.03 -0.65 0.01 0.00 0.31 0.00 0.00 61.69 61.39 2wdn s THR 47 Cb 0.03 -2.77 -0.07 0.00 0.01 0.00 0.00 72.50 69.70 2wdn s THR 47 CO -0.11 0.39 -0.09 0.18 -0.69 0.00 0.00 174.62 174.30 2wdn n LEU 48 N 1.46 2.88 -4.39 4.42 4.32 -0.49 -4.98 117.00 120.22 2wdn n LEU 48 Ca -0.15 -0.05 -0.24 0.00 -0.02 0.00 0.00 56.01 55.55 2wdn n LEU 48 Cb 0.53 -0.35 -0.11 0.00 -1.62 0.00 0.00 43.42 41.87 2wdn n LEU 48 CO 0.33 0.66 -0.49 -0.69 -1.22 0.00 0.00 177.39 175.97 2wdn s VAL 49 N -2.21 2.10 -0.03 4.08 1.01 -1.23 -5.00 120.40 119.13 2wdn s VAL 49 Ca -0.14 -2.07 -0.30 0.00 0.00 0.00 0.00 61.98 59.47 2wdn s VAL 49 Cb 0.04 -2.04 0.11 0.00 0.00 0.00 0.00 36.38 34.49 2wdn s VAL 49 CO 0.25 -0.29 0.93 -0.94 0.00 0.00 0.00 175.10 175.04 2wdn s SER 50 N -2.88 -0.34 -0.29 3.32 1.04 -1.26 -1.27 113.70 112.02 2wdn s SER 50 Ca 0.21 0.00 -0.26 0.00 0.48 0.00 0.00 55.95 56.38 2wdn s SER 50 Cb -0.06 0.35 0.18 0.00 0.10 0.00 0.00 66.02 66.60 2wdn s SER 50 CO 0.09 -0.57 1.38 0.00 0.98 0.00 0.00 173.24 175.12 2wdn s ALA 51 N -3.01 -2.17 0.11 5.32 0.00 -1.12 -4.64 121.76 116.25 2wdn s ALA 51 Ca 0.05 1.75 -0.14 0.00 0.00 0.00 0.00 51.96 53.62 2wdn s ALA 51 Cb -0.01 -1.65 0.02 0.00 0.00 0.00 0.00 23.12 21.48 2wdn s ALA 51 CO -0.08 -0.15 0.34 -1.54 0.00 0.00 0.00 175.76 174.32 2wdn s SER 52 N -0.29 -0.13 0.88 0.00 1.04 -1.26 -2.04 113.70 111.90 2wdn s SER 52 Ca 0.07 -0.40 -0.14 0.00 0.48 0.00 0.00 55.95 55.96 2wdn s SER 52 Cb -0.04 0.43 0.02 0.00 0.10 0.00 0.00 66.02 66.53 2wdn s SER 52 CO -0.12 -0.80 -0.32 -0.24 0.98 0.00 0.00 173.24 172.74 2wdn n SER 53 N -0.13 -2.64 0.00 7.02 2.88 0.28 -3.90 113.62 117.14 2wdn n SER 53 Ca -0.16 -0.14 0.00 0.00 -1.33 0.00 0.00 58.87 57.24 2wdn n SER 53 Cb 0.63 -0.65 0.00 0.00 -0.75 0.00 0.00 64.21 63.44 2wdn n SER 53 CO 0.00 0.00 0.00 0.18 -1.23 0.00 0.00 175.04 173.99 2wdn n LEU 54 N 1.13 0.00 -3.17 2.46 7.99 -1.04 -2.60 117.00 121.76 2wdn n LEU 54 Ca 0.01 0.00 -0.24 0.00 -0.01 0.00 0.00 56.01 55.77 2wdn n LEU 54 Cb 0.40 0.00 -0.02 0.00 -0.11 0.00 0.00 43.42 43.69 2wdn n LEU 54 CO 0.26 0.00 2.50 0.00 -1.51 0.00 0.00 177.39 178.64 2wdn n ALA 55 N 0.00 5.15 0.00 -1.18 0.00 -1.26 0.30 120.51 123.51 2wdn n ALA 55 Ca 0.00 -2.21 0.00 0.00 0.00 0.00 0.00 53.44 51.23 2wdn n ALA 55 Cb 0.00 -3.04 0.00 0.00 0.00 0.00 0.00 19.45 16.41 2wdn n ALA 55 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 2wdn n LEU 56 N 4.07 0.00 0.00 0.00 0.00 -1.07 -4.55 117.00 115.45 2wdn n LEU 56 Ca 0.49 0.00 0.00 0.00 0.00 0.00 0.00 56.01 56.50 2wdn n LEU 56 Cb 0.15 0.00 0.00 0.00 0.00 0.00 0.00 43.42 43.57 2wdn n LEU 56 CO 0.72 0.00 0.00 1.17 0.00 0.00 0.00 177.39 179.28 2wdn n LYS 57 N 0.00 0.00 -1.25 1.96 4.81 0.86 -5.05 118.16 119.49 2wdn n LYS 57 Ca 0.00 0.00 0.14 0.00 -0.87 0.00 0.00 58.31 57.58 2wdn n LYS 57 Cb 0.00 0.00 -0.06 0.00 0.02 0.00 0.00 35.03 34.99 2wdn n LYS 57 CO 0.00 0.00 0.00 -0.11 1.17 0.00 0.00 177.40 178.46 2wdn n LEU 58 N 0.00 -0.74 -3.15 3.14 7.94 -1.26 -2.49 117.00 120.44 2wdn n LEU 58 Ca 0.00 1.70 -0.30 0.00 -1.11 0.00 0.00 56.01 56.30 2wdn n LEU 58 Cb 0.00 -3.58 0.03 0.00 0.53 0.00 0.00 43.42 40.40 2wdn n LEU 58 CO 0.00 -2.13 -1.49 0.29 -1.11 0.00 0.00 177.39 172.96 2wdn n LYS 59 N -3.90 0.00 -0.41 1.96 5.02 -1.26 -4.64 118.16 114.93 2wdn n LYS 59 Ca -0.05 0.00 0.08 0.00 -2.02 0.00 0.00 58.31 56.32 2wdn n LYS 59 Cb 0.61 -0.79 0.26 0.00 -0.02 0.00 0.00 35.03 35.09 2wdn n LYS 59 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2wdn n GLY 60 N 2.76 3.04 3.71 0.72 0.00 -1.26 -4.60 105.19 109.56 2wdn n GLY 60 Ca -0.02 -0.73 -0.33 0.00 0.00 0.00 0.00 46.02 44.94 2wdn n GLY 60 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 2wdn s ASN 61 N -1.18 5.30 0.00 1.61 3.84 -1.26 -5.10 114.94 118.15 2wdn s ASN 61 Ca 0.39 0.08 0.00 0.00 0.21 0.00 0.00 52.86 53.54 2wdn s ASN 61 Cb 0.26 -1.45 0.00 0.00 -0.55 0.00 0.00 41.25 39.50 2wdn s ASN 61 CO 0.19 0.31 0.00 0.29 -2.79 0.00 0.00 177.10 175.10 2wdn n LYS 62 N 1.58 0.00 -0.25 0.43 4.76 -1.26 -2.82 118.16 120.60 2wdn n LYS 62 Ca -0.16 0.00 0.10 0.00 -2.87 0.00 0.00 58.31 55.39 2wdn n LYS 62 Cb 0.53 0.00 0.20 0.00 -1.84 0.00 0.00 35.03 33.92 2wdn n LYS 62 CO 0.00 0.00 0.00 0.25 -1.37 0.00 0.00 177.40 176.28 2wdn n THR 63 N 0.00 -0.30 -0.10 -0.18 -2.24 -1.26 -0.74 114.28 109.45 2wdn n THR 63 Ca 0.00 1.60 -0.06 0.00 -2.27 0.00 0.00 64.05 63.32 2wdn n THR 63 Cb 0.00 -2.32 0.01 0.00 -2.10 0.00 0.00 70.33 65.92 2wdn n THR 63 CO 0.00 0.00 0.00 -0.33 -0.57 0.00 0.00 175.07 174.17 2wdn h GLU 64 N 0.00 -0.07 -0.84 -0.78 3.07 -2.00 -0.98 114.58 112.98 2wdn h GLU 64 Ca 0.43 0.00 0.01 0.00 -0.50 0.00 0.00 59.36 59.31 2wdn h GLU 64 Cb 0.87 0.02 -0.04 0.00 -0.84 0.00 0.00 28.75 28.75 2wdn h GLU 64 CO -0.69 -0.04 0.56 0.28 -1.40 0.00 0.00 179.01 177.72 2wdn h VAL 65 N -0.07 1.21 0.00 3.13 2.07 -0.77 -1.27 116.25 120.55 2wdn h VAL 65 Ca 0.18 -0.39 0.00 0.00 0.82 0.00 0.00 66.70 67.31 2wdn h VAL 65 Cb 0.35 -0.02 0.00 0.00 -1.52 0.00 0.00 31.29 30.09 2wdn h VAL 65 CO -0.42 0.21 0.00 0.00 0.02 0.00 0.00 177.57 177.38 2wdn n ALA 66 N -2.33 0.85 -0.30 1.67 0.00 -0.38 -0.22 120.51 119.80 2wdn n ALA 66 Ca 0.09 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.53 2wdn n ALA 66 Cb 0.02 -0.56 0.00 0.00 0.00 0.00 0.00 19.45 18.91 2wdn n ALA 66 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2wdn n ARG 67 N -0.77 0.00 -0.31 0.00 5.12 -0.48 -3.90 116.66 116.32 2wdn n ARG 67 Ca 0.00 0.00 0.12 0.00 -1.93 0.00 0.00 57.85 56.04 2wdn n ARG 67 Cb 0.00 -0.32 0.29 0.00 -1.16 0.00 0.00 32.46 31.27 2wdn n ARG 67 CO 0.00 0.00 0.00 1.96 -1.93 0.00 0.00 177.63 177.66 2wdn h GLN 68 N 0.00 0.52 -0.35 5.56 4.20 -1.37 0.94 115.11 124.62 2wdn h GLN 68 Ca 0.00 -0.03 0.08 0.00 0.06 0.00 0.00 58.65 58.76 2wdn h GLN 68 Cb 0.00 -0.12 -0.02 0.00 0.30 0.00 0.00 27.48 27.65 2wdn h GLN 68 CO 0.00 0.35 0.25 -0.24 -0.67 0.00 0.00 178.83 178.51 2wdn h VAL 69 N 0.54 0.87 0.16 -0.54 3.04 -0.86 1.38 116.25 120.84 2wdn h VAL 69 Ca 0.54 -0.03 -0.01 0.00 -1.01 0.00 0.00 66.70 66.19 2wdn h VAL 69 Cb 0.92 0.76 0.00 0.00 -2.01 0.00 0.00 31.29 30.97 2wdn h VAL 69 CO -0.45 0.02 -0.08 1.23 -1.01 0.00 0.00 177.57 177.28 2wdn h GLY 70 N 0.10 -0.22 -0.14 3.17 0.00 0.69 -2.41 103.07 104.26 2wdn h GLY 70 Ca 0.16 0.08 0.27 0.00 0.00 0.00 0.00 47.33 47.85 2wdn h GLY 70 CO -0.02 -0.08 0.69 3.21 0.00 0.00 0.00 176.54 180.34 2wdn h ARG 71 N -0.79 0.33 0.00 4.80 3.08 -0.84 0.42 114.38 121.38 2wdn h ARG 71 Ca -0.02 -0.02 0.00 0.00 0.07 0.00 0.00 59.98 60.01 2wdn h ARG 71 Cb 0.16 -0.07 0.00 0.00 0.08 0.00 0.00 29.97 30.14 2wdn h ARG 71 CO 0.04 0.22 0.00 0.00 -1.07 0.00 0.00 179.97 179.15 2wdn n ALA 72 N -2.51 -0.10 -0.29 0.04 0.00 0.47 0.11 120.51 118.22 2wdn n ALA 72 Ca 0.25 0.00 0.11 0.00 0.00 0.00 0.00 53.44 53.80 2wdn n ALA 72 Cb 0.91 0.18 0.25 0.00 0.00 0.00 0.00 19.45 20.80 2wdn n ALA 72 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 2wdn h LEU 73 N 0.00 -0.19 0.00 0.00 6.46 -0.63 -1.62 115.31 119.33 2wdn h LEU 73 Ca 0.00 0.21 0.00 0.00 -0.12 0.00 0.00 57.88 57.97 2wdn h LEU 73 Cb 0.00 0.33 0.00 0.00 -0.73 0.00 0.00 40.66 40.26 2wdn h LEU 73 CO 0.00 -0.20 0.00 0.00 -0.62 0.00 0.00 178.44 177.62 2wdn n ALA 74 N -2.85 -0.03 -0.31 1.25 0.00 0.13 0.86 120.51 119.56 2wdn n ALA 74 Ca 0.20 0.00 0.12 0.00 0.00 0.00 0.00 53.44 53.76 2wdn n ALA 74 Cb 0.64 0.10 0.25 0.00 0.00 0.00 0.00 19.45 20.44 2wdn n ALA 74 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 2wdn n GLU 75 N -0.85 -0.07 0.34 0.00 1.02 0.29 -0.07 120.64 121.30 2wdn n GLU 75 Ca 0.00 1.33 -0.13 0.00 -0.02 0.00 0.00 57.16 58.34 2wdn n GLU 75 Cb 0.00 -2.10 -0.06 0.00 -0.02 0.00 0.00 31.44 29.25 2wdn n GLU 75 CO 0.00 0.00 0.00 0.87 1.18 0.00 0.00 177.13 179.18 2wdn h LYS 76 N 0.00 -0.83 0.00 3.49 1.57 -1.17 -3.28 116.57 116.35 2wdn h LYS 76 Ca 0.53 0.06 0.00 0.00 -1.87 0.00 0.00 60.65 59.36 2wdn h LYS 76 Cb 1.06 0.19 0.00 0.00 0.08 0.00 0.00 32.23 33.56 2wdn h LYS 76 CO -0.84 -0.56 0.00 0.00 -0.57 0.00 0.00 179.45 177.48 2wdn n ALA 77 N -2.48 0.00 -0.21 3.86 0.00 0.25 -0.73 120.51 121.19 2wdn n ALA 77 Ca -0.11 0.00 0.16 0.00 0.00 0.00 0.00 53.44 53.49 2wdn n ALA 77 Cb 0.34 0.26 0.29 0.00 0.00 0.00 0.00 19.45 20.34 2wdn n ALA 77 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 2wdn n LEU 78 N -1.84 0.09 -0.24 0.00 4.77 -0.74 -0.23 117.00 118.81 2wdn n LEU 78 Ca 0.00 1.06 -0.03 0.00 -0.03 0.00 0.00 56.01 57.02 2wdn n LEU 78 Cb 0.00 -0.46 0.04 0.00 -2.33 0.00 0.00 43.42 40.67 2wdn n LEU 78 CO 0.00 -1.14 0.65 0.00 -1.33 0.00 0.00 177.39 175.57 2wdn h ALA 79 N 1.27 0.15 -0.53 -1.18 0.00 -0.99 0.07 119.26 118.05 2wdn h ALA 79 Ca 0.47 0.22 -0.07 0.00 0.00 0.00 0.00 54.91 55.53 2wdn h ALA 79 Cb 1.15 0.74 -0.02 0.00 0.00 0.00 0.00 17.79 19.66 2wdn h ALA 79 CO -0.54 -0.58 0.05 -0.07 0.00 0.00 0.00 179.25 178.11 2wdn h LEU 80 N -0.09 0.87 0.00 0.00 4.07 -0.70 -3.47 115.31 115.99 2wdn h LEU 80 Ca 0.29 -0.28 0.00 0.00 0.08 0.00 0.00 57.88 57.97 2wdn h LEU 80 Cb 0.56 -0.23 0.00 0.00 1.08 0.00 0.00 40.66 42.06 2wdn h LEU 80 CO -0.74 0.93 0.00 0.61 -1.08 0.00 0.00 178.44 178.16 2wdn n GLY 81 N -0.48 -0.96 3.69 0.83 0.00 0.01 -5.14 105.19 103.15 2wdn n GLY 81 Ca 0.02 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.71 2wdn n GLY 81 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2wdn s ILE 82 N 0.00 2.09 0.00 -0.61 -1.09 -1.25 -4.90 121.20 115.44 2wdn s ILE 82 Ca 0.00 0.04 0.00 0.00 -2.23 0.00 0.00 60.65 58.46 2wdn s ILE 82 Cb 0.00 -2.36 0.00 0.00 -1.58 0.00 0.00 42.46 38.52 2wdn s ILE 82 CO 0.00 -0.03 0.00 1.17 -1.23 0.00 0.00 174.94 174.85 2wdn n LYS 83 N -3.51 0.00 -2.36 2.79 4.81 -1.26 -4.25 118.16 114.38 2wdn n LYS 83 Ca 0.13 0.00 -0.43 0.00 -0.87 0.00 0.00 58.31 57.14 2wdn n LYS 83 Cb 0.51 0.00 -0.02 0.00 0.02 0.00 0.00 35.03 35.54 2wdn n LYS 83 CO 0.00 0.00 0.00 -1.14 1.17 0.00 0.00 177.40 177.43 2wdn s GLN 84 N 0.00 3.96 0.13 1.64 2.00 -1.26 -0.77 119.66 125.37 2wdn s GLN 84 Ca 0.00 1.42 -0.08 0.00 -2.00 0.00 0.00 55.36 54.70 2wdn s GLN 84 Cb 0.00 -3.88 -0.01 0.00 0.80 0.00 0.00 33.01 29.92 2wdn s GLN 84 CO 0.00 -1.06 0.23 0.14 -0.50 0.00 0.00 175.29 174.10 2wdn s VAL 85 N 4.33 0.10 -0.05 1.34 -7.23 -1.26 -4.81 120.40 112.82 2wdn s VAL 85 Ca 0.59 -1.35 -0.04 0.00 -1.81 0.00 0.00 61.98 59.37 2wdn s VAL 85 Cb -0.19 -1.66 -0.04 0.00 0.56 0.00 0.00 36.38 35.04 2wdn s VAL 85 CO 0.23 -0.45 0.17 0.00 -0.31 0.00 0.00 175.10 174.74 2wdn s ALA 86 N -3.93 3.92 0.85 1.32 0.00 0.13 -4.21 121.76 119.84 2wdn s ALA 86 Ca 0.13 -0.71 0.00 0.00 0.00 0.00 0.00 51.96 51.38 2wdn s ALA 86 Cb 0.04 -1.93 0.00 0.00 0.00 0.00 0.00 23.12 21.24 2wdn s ALA 86 CO -0.04 0.70 0.00 0.34 0.00 0.00 0.00 175.76 176.76 2wdn n PHE 87 N 1.32 0.00 0.00 0.00 7.35 -1.26 -2.24 117.46 122.63 2wdn n PHE 87 Ca -0.14 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.55 2wdn n PHE 87 Cb 0.53 0.00 0.00 0.00 0.35 0.00 0.00 39.48 40.36 2wdn n PHE 87 CO 0.00 0.00 0.00 -3.47 -0.76 0.00 0.00 176.76 172.53 2wdn n ASP 88 N 0.00 0.00 -1.45 -2.13 4.64 -1.25 -3.61 116.55 112.75 2wdn n ASP 88 Ca 0.00 0.00 0.00 0.00 -1.38 0.00 0.00 54.79 53.41 2wdn n ASP 88 Cb 0.00 0.00 0.00 0.00 -1.04 0.00 0.00 41.12 40.08 2wdn n ASP 88 CO 0.00 0.00 0.00 -1.14 -0.82 0.00 0.00 177.20 175.24 2wdn n ARG 89 N 0.00 -1.90 0.00 -0.67 0.00 -1.26 -4.69 116.66 108.14 2wdn n ARG 89 Ca 0.00 1.70 0.00 0.00 -0.00 0.00 0.00 57.85 59.55 2wdn n ARG 89 Cb 0.00 -2.00 0.00 0.00 0.00 0.00 0.00 32.46 30.46 2wdn n ARG 89 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 2wdn n GLY 90 N 0.67 -0.17 1.62 5.14 0.00 -1.26 -2.15 105.19 109.04 2wdn n GLY 90 Ca 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.01 2wdn n GLY 90 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2wdn n PRO 91 N 0.00 0.86 -0.31 1.61 -0.04 -1.26 -4.63 135.00 131.23 2wdn n PRO 91 Ca 0.00 -0.05 -0.08 0.00 -0.04 0.00 0.00 63.50 63.33 2wdn n PRO 91 Cb 0.00 -1.14 -0.07 0.00 -0.04 0.00 0.00 33.50 32.24 2wdn n PRO 91 CO 0.00 0.00 0.00 2.48 -0.04 0.00 0.00 175.50 177.94 2wdn n TYR 92 N 1.65 -0.33 -2.09 0.54 4.11 -0.92 -4.82 117.16 115.30 2wdn n TYR 92 Ca 0.02 0.93 -0.18 0.00 -0.00 0.00 0.00 57.90 58.67 2wdn n TYR 92 Cb 0.43 -0.56 -0.03 0.00 -0.00 0.00 0.00 39.34 39.18 2wdn n TYR 92 CO 0.00 0.00 0.00 1.17 -0.00 0.00 0.00 176.86 178.03 2wdn n LYS 93 N -4.90 -1.36 -0.04 -3.48 3.00 -1.26 -4.38 118.16 105.73 2wdn n LYS 93 Ca 0.01 0.94 0.00 0.00 -0.00 0.00 0.00 58.31 59.26 2wdn n LYS 93 Cb 0.19 -5.36 0.00 0.00 0.00 0.00 0.00 35.03 29.87 2wdn n LYS 93 CO 0.00 0.00 0.00 0.98 0.00 0.00 0.00 177.40 178.38 2wdn n TYR 94 N -3.56 0.00 -3.55 5.64 9.36 -1.26 -4.87 117.16 118.92 2wdn n TYR 94 Ca -0.20 0.00 -0.14 0.00 3.32 0.00 0.00 57.90 60.88 2wdn n TYR 94 Cb 0.64 0.00 -0.06 0.00 -0.63 0.00 0.00 39.34 39.29 2wdn n TYR 94 CO 0.00 0.00 0.00 -1.58 0.22 0.00 0.00 176.86 175.50 2wdn s HIS 95 N 0.00 -0.51 0.00 2.98 2.46 -1.26 -5.10 115.29 113.85 2wdn s HIS 95 Ca 0.00 0.88 0.00 0.00 0.47 0.00 0.00 55.06 56.41 2wdn s HIS 95 Cb 0.00 0.43 0.00 0.00 -0.13 0.00 0.00 32.58 32.88 2wdn s HIS 95 CO 0.00 -0.47 0.00 0.41 -2.47 0.00 0.00 174.74 172.21 2wdn n GLY 96 N 0.82 -0.03 0.74 1.59 0.00 -1.26 -4.32 105.19 102.74 2wdn n GLY 96 Ca -0.15 -0.16 0.00 0.00 0.00 0.00 0.00 46.02 45.71 2wdn n GLY 96 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 2wdn n ARG 97 N -0.16 -0.81 -2.21 1.61 -4.01 -1.26 -4.72 116.66 105.09 2wdn n ARG 97 Ca 0.00 0.00 -0.42 0.00 -1.04 0.00 0.00 57.85 56.39 2wdn n ARG 97 Cb 0.00 -2.43 -0.03 0.00 -3.04 0.00 0.00 32.46 26.96 2wdn n ARG 97 CO 0.00 0.00 0.00 0.08 -3.04 0.00 0.00 177.63 174.67 2wdn s VAL 98 N -0.68 3.46 -0.70 8.89 1.01 -1.26 -4.86 120.40 126.26 2wdn s VAL 98 Ca 0.00 1.03 -0.05 0.00 0.00 0.00 0.00 61.98 62.96 2wdn s VAL 98 Cb 0.00 -3.66 -0.02 0.00 0.00 0.00 0.00 36.38 32.70 2wdn s VAL 98 CO 0.00 0.07 2.90 0.29 0.00 0.00 0.00 175.10 178.37 2wdn n LYS 99 N 4.06 2.99 -0.65 2.72 4.76 -1.25 -4.54 118.16 126.25 2wdn n LYS 99 Ca 0.11 -2.28 -0.13 0.00 -2.87 0.00 0.00 58.31 53.13 2wdn n LYS 99 Cb 0.43 -2.30 -0.06 0.00 -1.84 0.00 0.00 35.03 31.25 2wdn n LYS 99 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 2wdn n ALA 100 N 1.77 4.39 -2.53 7.82 0.00 -1.26 -4.66 120.51 126.04 2wdn n ALA 100 Ca 0.54 -1.46 -0.31 0.00 0.00 0.00 0.00 53.44 52.21 2wdn n ALA 100 Cb 0.53 -2.59 -0.05 0.00 0.00 0.00 0.00 19.45 17.34 2wdn n ALA 100 CO 0.00 0.00 0.00 -0.48 0.00 0.00 0.00 177.50 177.02 2wdn s LEU 101 N 0.04 4.20 0.00 0.00 -0.00 -1.26 -4.87 118.68 116.79 2wdn s LEU 101 Ca 0.39 0.77 0.00 0.00 -0.00 0.00 0.00 54.13 55.29 2wdn s LEU 101 Cb 0.15 -3.52 0.00 0.00 -0.00 0.00 0.00 46.19 42.82 2wdn s LEU 101 CO -0.01 -0.03 0.00 0.00 -0.00 0.00 0.00 176.35 176.30 2wdn n ALA 102 N -0.11 0.00 -0.11 1.48 0.00 -1.26 -4.59 120.51 115.91 2wdn n ALA 102 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.43 2wdn n ALA 102 Cb 0.52 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.97 2wdn n ALA 102 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 2wdn n GLU 103 N 0.00 0.00 -1.17 0.00 -0.58 -1.26 -4.73 120.64 112.90 2wdn n GLU 103 Ca 0.00 0.00 -0.46 0.00 -0.42 0.00 0.00 57.16 56.28 2wdn n GLU 103 Cb 0.00 0.00 -0.06 0.00 -0.57 0.00 0.00 31.44 30.81 2wdn n GLU 103 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2wdn n GLY 104 N 0.00 -0.02 0.71 0.62 0.00 -1.26 -4.71 105.19 100.52 2wdn n GLY 104 Ca 0.00 0.64 0.00 0.00 0.00 0.00 0.00 46.02 46.66 2wdn n GLY 104 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2wdn n ALA 105 N 2.03 2.19 0.00 4.61 0.00 0.05 -4.00 120.51 125.38 2wdn n ALA 105 Ca 0.19 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.63 2wdn n ALA 105 Cb 0.00 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.45 2wdn n ALA 105 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 2wdn n ARG 106 N 0.33 0.00 -3.10 0.00 0.00 -1.03 -4.28 116.66 108.59 2wdn n ARG 106 Ca 0.00 0.24 -0.00 0.00 -0.00 0.00 0.00 57.85 58.08 2wdn n ARG 106 Cb 0.27 -1.60 -0.00 0.00 0.00 0.00 0.00 32.46 31.13 2wdn n ARG 106 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.63 175.72 2wdn n GLU 107 N -1.19 -1.09 0.00 -0.14 4.07 -1.26 -4.61 120.64 116.42 2wdn n GLU 107 Ca 0.00 1.18 0.00 0.00 -0.06 0.00 0.00 57.16 58.28 2wdn n GLU 107 Cb 0.10 -1.10 0.00 0.00 -0.06 0.00 0.00 31.44 30.38 2wdn n GLU 107 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 2wdn n GLY 108 N 2.05 0.09 0.00 8.31 0.00 -1.26 -4.93 105.19 109.45 2wdn n GLY 108 Ca -0.01 -0.01 0.00 0.00 0.00 0.00 0.00 46.02 46.00 2wdn n GLY 108 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93