#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wdn n HIS 3 N 0.00 0.00 -0.34 2.89 8.25 -1.26 -4.48 115.22 120.28 2wdn n HIS 3 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.46 2wdn n HIS 3 Cb 0.00 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.11 2wdn n HIS 3 CO 0.00 0.00 0.00 -0.11 0.64 0.00 0.00 176.34 176.87 2wdn n LEU 4 N 0.00 0.00 0.01 2.41 -0.00 -1.26 -3.92 117.00 114.24 2wdn n LEU 4 Ca 0.00 -0.34 0.10 0.00 -0.00 0.00 0.00 56.01 55.77 2wdn n LEU 4 Cb 0.00 0.00 -0.14 0.00 -0.00 0.00 0.00 43.42 43.28 2wdn n LEU 4 CO 0.00 -0.39 -0.62 0.29 -0.00 0.00 0.00 177.39 176.67 2wdn n LYS 5 N 2.02 0.65 0.00 1.96 4.01 -1.26 -4.75 118.16 120.79 2wdn n LYS 5 Ca 0.00 -0.12 0.00 0.00 -0.51 0.00 0.00 58.31 57.68 2wdn n LYS 5 Cb 0.00 -1.58 0.00 0.00 -0.51 0.00 0.00 35.03 32.94 2wdn n LYS 5 CO 0.00 0.00 0.00 -1.13 -1.11 0.00 0.00 177.40 175.16 2wdn n SER 6 N -2.37 0.00 0.00 4.39 3.41 -1.25 -5.12 113.62 112.67 2wdn n SER 6 Ca -0.04 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.57 2wdn n SER 6 Cb 0.59 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.54 2wdn n SER 6 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2wdn n GLY 7 N 1.80 4.25 0.00 5.00 0.00 -1.26 -5.15 105.19 109.83 2wdn n GLY 7 Ca 0.00 -1.04 0.00 0.00 0.00 0.00 0.00 46.02 44.98 2wdn n GLY 7 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2wdn n ARG 8 N -0.49 0.00 -1.33 1.61 5.12 -1.26 -5.14 116.66 115.17 2wdn n ARG 8 Ca 0.00 0.00 -0.34 0.00 -1.93 0.00 0.00 57.85 55.58 2wdn n ARG 8 Cb 0.00 0.00 0.11 0.00 -1.16 0.00 0.00 32.46 31.41 2wdn n ARG 8 CO 0.00 0.00 0.00 -1.59 -1.93 0.00 0.00 177.63 174.11 2wdn s LYS 9 N -0.01 1.96 -0.30 5.56 -2.85 -1.26 -5.06 119.74 117.79 2wdn s LYS 9 Ca 0.00 1.81 -0.15 0.00 -1.00 0.00 0.00 55.97 56.64 2wdn s LYS 9 Cb 0.00 -1.81 0.18 0.00 -2.06 0.00 0.00 37.83 34.14 2wdn s LYS 9 CO 0.00 -1.98 1.06 -0.51 0.10 0.00 0.00 175.35 174.01 2wdn s LEU 10 N -5.29 -0.46 0.43 2.77 1.43 -1.26 -5.09 118.68 111.21 2wdn s LEU 10 Ca 0.75 0.48 0.08 0.00 -1.03 0.00 0.00 54.13 54.41 2wdn s LEU 10 Cb -0.30 1.46 -0.00 0.00 0.03 0.00 0.00 46.19 47.38 2wdn s LEU 10 CO 0.47 -0.09 0.48 0.21 0.23 0.00 0.00 176.35 177.65 2wdn s ASN 11 N 2.58 5.28 0.00 2.29 3.84 -1.26 -4.99 114.94 122.68 2wdn s ASN 11 Ca -0.01 -0.64 0.00 0.00 0.21 0.00 0.00 52.86 52.42 2wdn s ASN 11 Cb -0.07 -0.53 0.00 0.00 -0.55 0.00 0.00 41.25 40.10 2wdn s ASN 11 CO -0.15 -0.75 0.00 0.54 -2.79 0.00 0.00 177.10 173.95 2wdn n ARG 12 N -1.71 0.00 -3.96 0.43 1.74 -1.26 -4.66 116.66 107.24 2wdn n ARG 12 Ca 0.06 0.00 -0.22 0.00 -0.77 0.00 0.00 57.85 56.92 2wdn n ARG 12 Cb 0.61 0.00 -0.05 0.00 -1.02 0.00 0.00 32.46 32.00 2wdn n ARG 12 CO 0.00 0.00 0.00 -3.38 -1.52 0.00 0.00 177.63 172.73 2wdn s HIS 13 N -0.66 2.79 0.00 -1.55 -3.43 -1.26 -4.82 115.29 106.36 2wdn s HIS 13 Ca 0.00 -0.35 0.00 0.00 -0.80 0.00 0.00 55.06 53.91 2wdn s HIS 13 Cb 0.00 -1.73 0.00 0.00 -1.43 0.00 0.00 32.58 29.42 2wdn s HIS 13 CO 0.00 0.26 0.08 -1.13 -2.00 0.00 0.00 174.74 171.94 2wdn n SER 14 N -1.26 0.00 -0.40 7.38 3.41 -1.26 0.74 113.62 122.24 2wdn n SER 14 Ca -0.02 0.08 0.32 0.00 -0.26 0.00 0.00 58.87 58.98 2wdn n SER 14 Cb 0.61 0.00 0.60 0.00 -0.26 0.00 0.00 64.21 65.16 2wdn n SER 14 CO 0.00 0.00 0.00 0.77 -0.16 0.00 0.00 175.04 175.65 2wdn h SER 15 N 0.00 0.31 0.09 4.04 4.64 -1.98 0.20 113.55 120.85 2wdn h SER 15 Ca 0.00 0.11 -0.00 0.00 -0.47 0.00 0.00 61.79 61.43 2wdn h SER 15 Cb 0.00 0.08 0.00 0.00 -0.31 0.00 0.00 62.40 62.17 2wdn h SER 15 CO 0.00 -0.08 -0.04 -0.74 -0.87 0.00 0.00 176.83 175.10 2wdn h HIS 16 N 0.19 -0.11 -0.49 4.77 -0.00 -1.69 -1.39 115.15 116.43 2wdn h HIS 16 Ca 0.73 -0.00 -0.00 0.00 -0.00 0.00 0.00 60.37 61.09 2wdn h HIS 16 Cb 2.18 0.04 -0.02 0.00 -0.00 0.00 0.00 27.41 29.61 2wdn h HIS 16 CO -0.00 0.42 0.29 -0.09 -0.00 0.00 0.00 177.93 178.54 2wdn h ARG 17 N -0.76 0.67 -0.65 5.26 2.43 0.17 0.21 114.38 121.71 2wdn h ARG 17 Ca -0.01 -0.06 0.02 0.00 -0.81 0.00 0.00 59.98 59.12 2wdn h ARG 17 Cb 0.58 -0.14 -0.04 0.00 -0.42 0.00 0.00 29.97 29.95 2wdn h ARG 17 CO 0.02 0.49 0.41 1.25 -1.51 0.00 0.00 179.97 180.63 2wdn h LEU 18 N 0.65 0.67 -0.76 3.80 7.12 -0.73 -0.54 115.31 125.51 2wdn h LEU 18 Ca 0.17 -0.00 0.03 0.00 0.13 0.00 0.00 57.88 58.21 2wdn h LEU 18 Cb 0.00 -0.15 -0.05 0.00 -0.53 0.00 0.00 40.66 39.94 2wdn h LEU 18 CO -0.03 0.47 0.48 0.00 -0.13 0.00 0.00 178.44 179.23 2wdn h ALA 19 N 1.27 1.00 -0.02 1.25 0.00 -0.50 -2.35 119.26 119.91 2wdn h ALA 19 Ca 0.26 -0.03 0.03 0.00 0.00 0.00 0.00 54.91 55.17 2wdn h ALA 19 Cb -0.00 -0.25 -0.05 0.00 0.00 0.00 0.00 17.79 17.48 2wdn h ALA 19 CO -0.09 0.28 -0.35 1.25 0.00 0.00 0.00 179.25 180.34 2wdn h LEU 20 N 0.94 -1.06 -0.81 0.00 5.85 0.96 -0.92 115.31 120.27 2wdn h LEU 20 Ca 0.30 0.14 0.15 0.00 0.84 0.00 0.00 57.88 59.31 2wdn h LEU 20 Cb 0.02 0.43 -0.10 0.00 0.37 0.00 0.00 40.66 41.38 2wdn h LEU 20 CO -0.11 -0.40 0.38 1.88 -0.34 0.00 0.00 178.44 179.85 2wdn h TYR 21 N -0.49 0.66 -0.71 1.25 0.99 -1.01 -0.95 116.97 116.71 2wdn h TYR 21 Ca 0.06 0.04 -0.07 0.00 2.00 0.00 0.00 58.73 60.76 2wdn h TYR 21 Cb 0.59 -0.17 -0.03 0.00 1.00 0.00 0.00 36.73 38.12 2wdn h TYR 21 CO -0.38 0.12 0.18 0.00 -0.00 0.00 0.00 178.16 178.09 2wdn h ARG 22 N 0.54 1.13 0.00 4.88 3.08 -0.84 -0.90 114.38 122.26 2wdn h ARG 22 Ca 0.45 -0.27 0.00 0.00 0.07 0.00 0.00 59.98 60.23 2wdn h ARG 22 Cb 0.66 -0.15 0.00 0.00 0.08 0.00 0.00 29.97 30.56 2wdn h ARG 22 CO -0.38 0.99 0.00 0.09 -1.07 0.00 0.00 179.97 179.59 2wdn n ASN 23 N -4.25 0.00 -0.12 7.04 5.03 -0.42 -0.81 115.26 121.72 2wdn n ASN 23 Ca 0.05 -0.16 -0.17 0.00 0.87 0.00 0.00 54.58 55.17 2wdn n ASN 23 Cb 0.25 -0.25 -0.13 0.00 -1.02 0.00 0.00 39.78 38.63 2wdn n ASN 23 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 2wdn n GLN 24 N -1.25 0.66 -0.08 3.52 6.02 -0.73 -3.52 117.38 121.99 2wdn n GLN 24 Ca 0.13 0.14 -0.12 0.00 -0.01 0.00 0.00 57.00 57.14 2wdn n GLN 24 Cb 0.19 -1.54 -0.05 0.00 1.02 0.00 0.00 30.24 29.87 2wdn n GLN 24 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 2wdn h ALA 25 N 0.13 0.34 -0.55 -1.58 0.00 -1.05 0.35 119.26 116.89 2wdn h ALA 25 Ca -0.56 -0.26 0.11 0.00 0.00 0.00 0.00 54.91 54.19 2wdn h ALA 25 Cb 1.95 -0.09 -0.09 0.00 0.00 0.00 0.00 17.79 19.56 2wdn h ALA 25 CO -0.06 0.13 -0.03 0.87 0.00 0.00 0.00 179.25 180.16 2wdn h LYS 26 N 0.21 0.09 0.25 0.00 1.57 -1.16 0.76 116.57 118.29 2wdn h LYS 26 Ca 0.06 -0.01 -0.01 0.00 -1.87 0.00 0.00 60.65 58.83 2wdn h LYS 26 Cb 0.52 -0.02 0.00 0.00 0.08 0.00 0.00 32.23 32.81 2wdn h LYS 26 CO 0.02 0.06 -0.12 0.77 -0.57 0.00 0.00 179.45 179.61 2wdn h SER 27 N 0.09 -0.28 -1.08 0.86 0.02 -1.54 0.67 113.55 112.29 2wdn h SER 27 Ca 0.28 -0.24 0.33 0.00 -0.84 0.00 0.00 61.79 61.32 2wdn h SER 27 Cb 0.43 0.07 -0.13 0.00 0.14 0.00 0.00 62.40 62.91 2wdn h SER 27 CO -0.49 0.15 0.65 0.25 -1.14 0.00 0.00 176.83 176.26 2wdn h LEU 28 N -0.78 0.46 0.16 5.07 7.12 0.10 0.10 115.31 127.54 2wdn h LEU 28 Ca -0.03 0.15 -0.22 0.00 0.13 0.00 0.00 57.88 57.91 2wdn h LEU 28 Cb 0.51 0.10 0.02 0.00 -0.53 0.00 0.00 40.66 40.76 2wdn h LEU 28 CO 0.06 -0.09 -0.98 -0.07 -0.13 0.00 0.00 178.44 177.23 2wdn h LEU 29 N 0.31 0.53 0.40 2.25 4.07 -0.79 -3.31 115.31 118.77 2wdn h LEU 29 Ca 0.72 -0.94 -0.01 0.00 0.08 0.00 0.00 57.88 57.73 2wdn h LEU 29 Cb 1.80 -0.17 -0.03 0.00 1.08 0.00 0.00 40.66 43.34 2wdn h LEU 29 CO -0.50 1.47 -0.48 0.74 -1.08 0.00 0.00 178.44 178.60 2wdn h THR 30 N -0.27 0.00 -0.22 0.22 2.02 0.13 -3.42 112.91 111.36 2wdn h THR 30 Ca -0.17 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.01 2wdn h THR 30 Cb 1.75 0.00 0.00 0.00 -1.74 0.00 0.00 68.15 68.16 2wdn h THR 30 CO 0.17 0.00 0.00 1.41 0.37 0.00 0.00 175.52 177.47 2wdn n HIS 31 N -5.29 0.00 0.00 3.16 8.25 0.14 -5.08 115.22 116.40 2wdn n HIS 31 Ca -0.11 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.35 2wdn n HIS 31 Cb 0.42 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.53 2wdn n HIS 31 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2wdn n GLY 32 N 5.00 0.00 3.59 -1.41 0.00 -1.24 -4.83 105.19 106.30 2wdn n GLY 32 Ca 0.00 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.71 2wdn n GLY 32 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2wdn s ARG 33 N -1.93 2.34 0.12 1.61 3.00 -1.26 -3.46 118.95 119.38 2wdn s ARG 33 Ca 0.00 -0.88 0.01 0.00 0.00 0.00 0.00 55.73 54.86 2wdn s ARG 33 Cb 0.00 -2.40 -0.04 0.00 0.00 0.00 0.00 34.95 32.50 2wdn s ARG 33 CO 0.00 0.55 -0.03 0.42 0.00 0.00 0.00 175.30 176.24 2wdn s ILE 34 N -1.12 0.58 -0.13 1.52 -1.09 0.05 -4.93 121.20 116.10 2wdn s ILE 34 Ca 0.20 -1.94 -0.03 0.00 -2.23 0.00 0.00 60.65 56.65 2wdn s ILE 34 Cb -0.11 -1.84 0.05 0.00 -1.58 0.00 0.00 42.46 38.98 2wdn s ILE 34 CO 0.11 -0.72 0.05 -0.89 -1.23 0.00 0.00 174.94 172.26 2wdn s THR 35 N -3.70 0.15 0.00 2.92 2.01 -1.26 0.49 115.64 116.24 2wdn s THR 35 Ca 0.16 -0.06 0.00 0.00 0.31 0.00 0.00 61.69 62.10 2wdn s THR 35 Cb 0.06 -0.57 0.00 0.00 0.01 0.00 0.00 72.50 72.00 2wdn s THR 35 CO -0.02 -0.05 0.00 0.35 -0.69 0.00 0.00 174.62 174.21 2wdn n THR 36 N 5.20 0.00 -2.56 -0.82 -2.24 -0.70 -4.97 114.28 108.19 2wdn n THR 36 Ca -0.07 0.00 -0.32 0.00 -2.27 0.00 0.00 64.05 61.39 2wdn n THR 36 Cb 0.49 0.00 -0.04 0.00 -2.10 0.00 0.00 70.33 68.68 2wdn n THR 36 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 2wdn s THR 37 N -0.65 4.51 0.13 4.28 -4.23 -1.26 -0.69 115.64 117.73 2wdn s THR 37 Ca 0.00 1.25 -0.26 0.00 -1.18 0.00 0.00 61.69 61.51 2wdn s THR 37 Cb 0.00 -3.68 -0.06 0.00 1.34 0.00 0.00 72.50 70.10 2wdn s THR 37 CO 0.00 -0.57 1.43 0.52 -0.54 0.00 0.00 174.62 175.47 2wdn n VAL 38 N -1.27 -0.56 0.17 2.29 0.31 -1.18 -1.03 118.33 117.06 2wdn n VAL 38 Ca 0.06 2.24 -0.14 0.00 -0.01 0.00 0.00 64.34 66.49 2wdn n VAL 38 Cb 0.54 -2.79 -0.07 0.00 -0.91 0.00 0.00 33.84 30.61 2wdn n VAL 38 CO 0.00 0.00 0.00 -0.65 -1.32 0.00 0.00 176.83 174.86 2wdn h PRO 39 N 0.00 -0.46 -0.63 5.55 0.11 -1.93 0.98 132.00 135.62 2wdn h PRO 39 Ca 0.13 0.03 0.18 0.00 0.11 0.00 0.00 66.00 66.46 2wdn h PRO 39 Cb 0.34 0.11 -0.03 0.00 0.11 0.00 0.00 31.00 31.53 2wdn h PRO 39 CO -0.78 -0.31 0.63 -0.22 -0.21 0.00 0.00 178.00 177.11 2wdn h LYS 40 N -0.48 0.00 0.00 1.05 3.64 -1.76 -1.28 116.57 117.75 2wdn h LYS 40 Ca -0.01 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.37 2wdn h LYS 40 Cb 0.43 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.25 2wdn h LYS 40 CO -0.02 0.00 -0.04 0.00 -2.27 0.00 0.00 179.45 177.12 2wdn h ALA 41 N 1.33 0.00 -1.45 5.00 0.00 -0.30 -3.23 119.26 120.61 2wdn h ALA 41 Ca 0.30 -0.13 0.42 0.00 0.00 0.00 0.00 54.91 55.51 2wdn h ALA 41 Cb 1.56 0.04 -0.06 0.00 0.00 0.00 0.00 17.79 19.33 2wdn h ALA 41 CO -0.00 0.04 1.12 1.63 0.00 0.00 0.00 179.25 182.04 2wdn n LYS 42 N -2.60 0.00 0.03 0.00 5.02 0.27 0.15 118.16 121.03 2wdn n LYS 42 Ca -0.01 0.87 -0.21 0.00 -2.02 0.00 0.00 58.31 56.94 2wdn n LYS 42 Cb 0.02 -2.03 -0.14 0.00 -0.02 0.00 0.00 35.03 32.86 2wdn n LYS 42 CO 0.00 0.00 0.00 1.49 -0.52 0.00 0.00 177.40 178.37 2wdn h GLU 43 N 0.00 0.27 -0.89 1.97 4.57 -1.42 -3.35 114.58 115.73 2wdn h GLU 43 Ca 0.69 -0.47 0.17 0.00 -1.18 0.00 0.00 59.36 58.57 2wdn h GLU 43 Cb 2.93 0.17 -0.10 0.00 -0.16 0.00 0.00 28.75 31.59 2wdn h GLU 43 CO -0.01 1.22 0.47 1.25 -1.18 0.00 0.00 179.01 180.77 2wdn h LEU 44 N -0.31 0.56 0.00 1.64 7.12 0.14 -3.23 115.31 121.23 2wdn h LEU 44 Ca -0.25 0.10 0.00 0.00 0.13 0.00 0.00 57.88 57.86 2wdn h LEU 44 Cb 1.74 0.01 0.00 0.00 -0.53 0.00 0.00 40.66 41.89 2wdn h LEU 44 CO 0.10 0.21 0.00 -2.11 -0.13 0.00 0.00 178.44 176.50 2wdn n ARG 45 N -4.87 0.00 -0.33 1.25 1.85 -0.92 -1.83 116.66 111.80 2wdn n ARG 45 Ca 0.19 0.62 0.13 0.00 -1.00 0.00 0.00 57.85 57.79 2wdn n ARG 45 Cb 0.49 -1.08 0.32 0.00 -1.05 0.00 0.00 32.46 31.14 2wdn n ARG 45 CO 0.00 0.00 0.00 0.78 -0.01 0.00 0.00 177.63 178.40 2wdn h GLY 46 N 0.00 1.71 0.67 2.89 0.00 -1.80 -0.62 103.07 105.91 2wdn h GLY 46 Ca 0.00 -0.29 0.11 0.00 0.00 0.00 0.00 47.33 47.14 2wdn h GLY 46 CO 0.00 -0.14 0.58 -2.75 0.00 0.00 0.00 176.54 174.23 2wdn h PHE 47 N 0.63 0.94 0.05 5.60 3.57 -1.43 -2.15 116.94 124.16 2wdn h PHE 47 Ca 0.57 0.03 -0.00 0.00 3.53 0.00 0.00 57.97 62.10 2wdn h PHE 47 Cb 0.97 -0.30 0.00 0.00 2.79 0.00 0.00 35.95 39.41 2wdn h PHE 47 CO -0.04 0.41 -0.03 0.28 -2.23 0.00 0.00 178.31 176.71 2wdn h VAL 48 N 0.86 1.14 -0.32 1.41 2.07 -0.38 -3.30 116.25 117.73 2wdn h VAL 48 Ca 0.42 -1.60 0.03 0.00 0.82 0.00 0.00 66.70 66.37 2wdn h VAL 48 Cb 0.47 2.06 -0.04 0.00 -1.52 0.00 0.00 31.29 32.26 2wdn h VAL 48 CO -0.19 0.35 -0.19 0.47 0.02 0.00 0.00 177.57 178.03 2wdn n ASP 49 N -4.77 -0.34 -0.26 0.57 10.43 -0.58 0.37 116.55 121.98 2wdn n ASP 49 Ca -0.07 1.21 -0.02 0.00 2.57 0.00 0.00 54.79 58.47 2wdn n ASP 49 Cb 0.31 -0.39 0.01 0.00 1.84 0.00 0.00 41.12 42.89 2wdn n ASP 49 CO 0.00 0.00 0.00 1.57 -1.07 0.00 0.00 177.20 177.70 2wdn n HIS 50 N -3.71 -0.04 -0.19 1.24 -0.00 -0.84 0.17 115.22 111.85 2wdn n HIS 50 Ca 0.01 0.81 -0.04 0.00 0.46 0.00 0.00 57.72 58.96 2wdn n HIS 50 Cb 0.08 -0.71 0.06 0.00 -0.12 0.00 0.00 29.99 29.31 2wdn n HIS 50 CO 0.00 0.00 0.00 -0.07 0.46 0.00 0.00 176.34 176.73 2wdn h LEU 51 N 0.00 0.46 -0.55 0.27 3.38 -0.16 -0.93 115.31 117.79 2wdn h LEU 51 Ca 0.20 0.02 -0.03 0.00 0.09 0.00 0.00 57.88 58.17 2wdn h LEU 51 Cb 0.37 -0.07 -0.02 0.00 0.09 0.00 0.00 40.66 41.03 2wdn h LEU 51 CO -0.64 0.31 0.23 0.40 0.09 0.00 0.00 178.44 178.83 2wdn h ILE 52 N 0.59 1.21 -0.04 1.22 1.08 0.41 -1.70 117.51 120.28 2wdn h ILE 52 Ca 0.25 -0.64 -0.06 0.00 -0.39 0.00 0.00 64.86 64.02 2wdn h ILE 52 Cb 0.12 0.62 -0.01 0.00 -3.07 0.00 0.00 36.82 34.49 2wdn h ILE 52 CO -0.15 0.25 -0.23 -0.74 -0.69 0.00 0.00 178.15 176.58 2wdn h HIS 53 N 0.74 0.08 0.00 1.37 2.76 -0.02 -0.78 115.15 119.29 2wdn h HIS 53 Ca 0.18 -0.01 -0.10 0.00 -2.20 0.00 0.00 60.37 58.24 2wdn h HIS 53 Cb 0.17 -0.02 -0.01 0.00 1.55 0.00 0.00 27.41 29.10 2wdn h HIS 53 CO 0.00 0.30 -0.47 -0.07 -1.30 0.00 0.00 177.93 176.39 2wdn h LEU 54 N 0.07 0.00 -0.12 0.26 4.07 -0.70 -2.76 115.31 116.13 2wdn h LEU 54 Ca 0.01 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.97 2wdn h LEU 54 Cb 0.46 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.20 2wdn h LEU 54 CO 0.03 0.47 0.00 0.00 -1.08 0.00 0.00 178.44 177.87 2wdn h ALA 55 N 1.53 1.00 -0.02 1.53 0.00 -0.25 -2.95 119.26 120.10 2wdn h ALA 55 Ca -0.00 0.00 -0.16 0.00 0.00 0.00 0.00 54.91 54.75 2wdn h ALA 55 Cb 1.06 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.83 2wdn h ALA 55 CO 0.06 0.00 -0.72 0.87 0.00 0.00 0.00 179.25 179.46 2wdn h LYS 56 N 0.00 0.10 -7.36 0.00 1.57 -1.11 -3.42 116.57 106.36 2wdn h LYS 56 Ca 0.00 -0.09 -0.46 0.00 -1.87 0.00 0.00 60.65 58.23 2wdn h LYS 56 Cb 0.70 0.02 0.08 0.00 0.08 0.00 0.00 32.23 33.11 2wdn h LYS 56 CO 0.00 0.78 0.27 1.03 -0.57 0.00 0.00 179.45 180.96 2wdn s ARG 57 N -3.44 2.23 0.00 3.15 0.52 -1.11 -5.02 118.95 115.28 2wdn s ARG 57 Ca -0.02 -0.13 0.00 0.00 -0.52 0.00 0.00 55.73 55.06 2wdn s ARG 57 Cb 0.12 -2.13 0.00 0.00 0.52 0.00 0.00 34.95 33.46 2wdn s ARG 57 CO 0.79 -1.26 0.00 0.41 0.02 0.00 0.00 175.30 175.26 2wdn n GLY 58 N -2.98 0.11 3.12 -3.53 0.00 -1.26 -4.93 105.19 95.72 2wdn n GLY 58 Ca 0.08 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.67 2wdn n GLY 58 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2wdn n ASP 59 N -1.03 -1.49 -0.27 1.61 3.85 -1.26 -4.62 116.55 113.33 2wdn n ASP 59 Ca 0.00 0.98 0.00 0.00 -0.71 0.00 0.00 54.79 55.06 2wdn n ASP 59 Cb 0.00 -0.86 0.07 0.00 -1.35 0.00 0.00 41.12 38.98 2wdn n ASP 59 CO 0.00 0.00 0.00 0.25 -1.01 0.00 0.00 177.20 176.44 2wdn h LEU 60 N 0.78 -0.92 -0.97 -2.12 6.46 -1.99 -0.37 115.31 116.17 2wdn h LEU 60 Ca -0.28 0.25 0.21 0.00 -0.12 0.00 0.00 57.88 57.94 2wdn h LEU 60 Cb 1.33 0.54 -0.18 0.00 -0.73 0.00 0.00 40.66 41.62 2wdn h LEU 60 CO 0.51 -0.28 -0.19 -0.74 -0.62 0.00 0.00 178.44 177.12 2wdn h HIS 61 N -0.04 -0.42 -0.54 1.25 2.76 -1.99 0.77 115.15 116.95 2wdn h HIS 61 Ca 0.34 0.08 -0.08 0.00 -2.20 0.00 0.00 60.37 58.52 2wdn h HIS 61 Cb 0.58 0.34 -0.02 0.00 1.55 0.00 0.00 27.41 29.85 2wdn h HIS 61 CO -0.66 -0.42 0.03 0.00 -1.30 0.00 0.00 177.93 175.58 2wdn h ALA 62 N 1.97 1.03 -0.26 5.26 0.00 -1.37 0.54 119.26 126.42 2wdn h ALA 62 Ca 0.49 -0.27 -0.00 0.00 0.00 0.00 0.00 54.91 55.13 2wdn h ALA 62 Cb 0.82 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.38 2wdn h ALA 62 CO -0.98 0.61 0.15 -0.09 0.00 0.00 0.00 179.25 178.94 2wdn h ARG 63 N 0.84 0.36 -0.18 0.00 2.43 0.71 0.41 114.38 118.96 2wdn h ARG 63 Ca 0.16 -0.04 -0.19 0.00 -0.81 0.00 0.00 59.98 59.11 2wdn h ARG 63 Cb 0.46 -0.07 0.00 0.00 -0.42 0.00 0.00 29.97 29.94 2wdn h ARG 63 CO 0.02 0.29 -0.65 0.00 -1.51 0.00 0.00 179.97 178.12 2wdn h ARG 64 N 0.32 0.67 -0.07 0.20 3.08 -0.50 0.27 114.38 118.35 2wdn h ARG 64 Ca 0.09 -0.48 -0.06 0.00 0.07 0.00 0.00 59.98 59.60 2wdn h ARG 64 Cb 0.03 0.08 -0.01 0.00 0.08 0.00 0.00 29.97 30.15 2wdn h ARG 64 CO -0.02 1.10 -0.23 1.25 -1.07 0.00 0.00 179.97 181.00 2wdn h LEU 65 N 0.49 0.12 0.03 3.04 5.85 0.32 -2.58 115.31 122.57 2wdn h LEU 65 Ca -0.02 -0.03 -0.29 0.00 0.84 0.00 0.00 57.88 58.38 2wdn h LEU 65 Cb 1.24 -0.03 -0.04 0.00 0.37 0.00 0.00 40.66 42.20 2wdn h LEU 65 CO 0.13 0.36 -1.64 0.58 -0.34 0.00 0.00 178.44 177.53 2wdn h VAL 66 N 0.11 0.96 0.00 1.05 2.07 -0.02 -3.30 116.25 117.12 2wdn h VAL 66 Ca 0.02 -2.76 0.00 0.00 0.82 0.00 0.00 66.70 64.78 2wdn h VAL 66 Cb 0.48 2.52 0.00 0.00 -1.52 0.00 0.00 31.29 32.76 2wdn h VAL 66 CO 0.03 0.63 0.00 -0.11 0.02 0.00 0.00 177.57 178.14 2wdn n LEU 67 N -3.18 0.00 0.19 2.57 7.94 0.94 -2.39 117.00 123.08 2wdn n LEU 67 Ca -0.17 0.50 -0.08 0.00 -1.11 0.00 0.00 56.01 55.15 2wdn n LEU 67 Cb 1.04 -0.50 -0.04 0.00 0.53 0.00 0.00 43.42 44.45 2wdn n LEU 67 CO 0.46 -0.39 0.22 0.03 -1.11 0.00 0.00 177.39 176.60 2wdn h ARG 68 N 0.00 -0.53 0.51 1.96 3.08 -1.58 -3.39 114.38 114.44 2wdn h ARG 68 Ca 0.00 0.04 -0.02 0.00 0.07 0.00 0.00 59.98 60.06 2wdn h ARG 68 Cb 0.11 0.12 0.00 0.00 0.08 0.00 0.00 29.97 30.28 2wdn h ARG 68 CO 0.00 -0.35 -0.24 -0.44 -1.07 0.00 0.00 179.97 177.87 2wdn h ASP 69 N -1.10 -0.58 -3.45 7.04 3.45 -1.71 -3.40 116.42 116.67 2wdn h ASP 69 Ca -0.06 0.02 -0.52 0.00 0.43 0.00 0.00 57.03 56.90 2wdn h ASP 69 Cb 0.42 0.15 0.02 0.00 -0.56 0.00 0.00 39.33 39.36 2wdn h ASP 69 CO 0.09 -0.31 0.56 -0.76 -1.57 0.00 0.00 179.24 177.26 2wdn s LEU 70 N -7.92 4.44 -0.01 1.55 1.43 -1.00 -4.90 118.68 112.26 2wdn s LEU 70 Ca -0.10 2.23 0.22 0.00 -1.03 0.00 0.00 54.13 55.45 2wdn s LEU 70 Cb 0.01 -3.60 -0.26 0.00 0.03 0.00 0.00 46.19 42.36 2wdn s LEU 70 CO 0.30 -0.39 0.69 1.67 0.23 0.00 0.00 176.35 178.85 2wdn n GLN 71 N 2.62 0.38 -2.78 1.70 -0.06 -1.26 -4.31 117.38 113.67 2wdn n GLN 71 Ca 0.05 -0.10 -0.40 0.00 -2.00 0.00 0.00 57.00 54.54 2wdn n GLN 71 Cb 0.45 -1.52 -0.05 0.00 -4.06 0.00 0.00 30.24 25.05 2wdn n GLN 71 CO 0.00 0.00 0.00 0.34 -0.20 0.00 0.00 177.06 177.20 2wdn s ASP 72 N -3.92 7.50 -0.12 1.69 3.68 -1.26 -4.98 116.67 119.26 2wdn s ASP 72 Ca -0.01 1.79 -0.14 0.00 2.13 0.00 0.00 52.55 56.32 2wdn s ASP 72 Cb 0.15 -2.57 -0.12 0.00 -1.45 0.00 0.00 42.92 38.92 2wdn s ASP 72 CO 0.88 0.03 0.36 0.58 0.13 0.00 0.00 175.17 177.16 2wdn h VAL 73 N 3.72 0.84 -0.95 1.11 2.07 -1.97 -2.60 116.25 118.47 2wdn h VAL 73 Ca -0.44 -1.63 0.25 0.00 0.82 0.00 0.00 66.70 65.69 2wdn h VAL 73 Cb 1.21 1.59 -0.06 0.00 -1.52 0.00 0.00 31.29 32.51 2wdn h VAL 73 CO 0.70 0.29 0.65 0.50 0.02 0.00 0.00 177.57 179.72 2wdn h LYS 74 N -1.00 0.24 0.10 1.57 1.63 -1.99 0.40 116.57 117.51 2wdn h LYS 74 Ca -0.00 -0.01 -0.28 0.00 -0.85 0.00 0.00 60.65 59.51 2wdn h LYS 74 Cb 0.47 -0.05 0.02 0.00 -0.60 0.00 0.00 32.23 32.06 2wdn h LYS 74 CO -0.00 0.16 -1.19 1.25 -3.45 0.00 0.00 179.45 176.22 2wdn h LEU 75 N 0.24 0.72 -0.81 5.20 7.12 -1.98 -2.16 115.31 123.65 2wdn h LEU 75 Ca 0.49 -0.66 -0.03 0.00 0.13 0.00 0.00 57.88 57.80 2wdn h LEU 75 Cb 1.50 -0.23 -0.04 0.00 -0.53 0.00 0.00 40.66 41.37 2wdn h LEU 75 CO -0.14 1.48 0.37 0.58 -0.13 0.00 0.00 178.44 180.61 2wdn h VAL 76 N 0.23 1.26 0.48 1.05 2.07 0.07 0.36 116.25 121.76 2wdn h VAL 76 Ca -0.16 -0.75 -0.02 0.00 0.82 0.00 0.00 66.70 66.59 2wdn h VAL 76 Cb 1.86 0.25 0.00 0.00 -1.52 0.00 0.00 31.29 31.88 2wdn h VAL 76 CO 0.22 0.31 -0.25 0.03 0.02 0.00 0.00 177.57 177.90 2wdn h ARG 77 N 1.15 -0.65 -1.44 1.57 3.08 -0.85 0.44 114.38 117.69 2wdn h ARG 77 Ca 0.27 0.04 0.43 0.00 0.07 0.00 0.00 59.98 60.80 2wdn h ARG 77 Cb 0.15 0.15 -0.08 0.00 0.08 0.00 0.00 29.97 30.26 2wdn h ARG 77 CO -0.03 -0.43 1.00 -0.22 -1.07 0.00 0.00 179.97 179.22 2wdn h LYS 78 N -0.67 0.07 0.23 0.04 3.64 -1.20 -0.89 116.57 117.78 2wdn h LYS 78 Ca -0.07 -0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 59.30 2wdn h LYS 78 Cb 0.52 -0.02 0.00 0.00 -0.41 0.00 0.00 32.23 32.33 2wdn h LYS 78 CO 0.10 0.04 -0.11 1.25 -2.27 0.00 0.00 179.45 178.46 2wdn h LEU 79 N 0.07 -0.26 0.30 5.20 6.46 0.74 -2.81 115.31 125.02 2wdn h LEU 79 Ca 0.75 0.01 -0.01 0.00 -0.12 0.00 0.00 57.88 58.51 2wdn h LEU 79 Cb 2.71 0.07 -0.01 0.00 -0.73 0.00 0.00 40.66 42.70 2wdn h LEU 79 CO -0.16 0.00 -0.29 -0.26 -0.62 0.00 0.00 178.44 177.11 2wdn h PHE 80 N -0.68 -0.81 -2.29 1.25 0.05 0.10 -0.02 116.94 114.54 2wdn h PHE 80 Ca -0.03 0.00 -0.80 0.00 3.82 0.00 0.00 57.97 60.96 2wdn h PHE 80 Cb 0.23 0.31 -0.25 0.00 2.00 0.00 0.00 35.95 38.25 2wdn h PHE 80 CO 0.03 -0.39 1.17 -0.40 -0.18 0.00 0.00 178.31 178.54 2wdn n ASP 81 N -4.14 7.02 0.00 2.17 3.85 -0.46 -3.86 116.55 121.13 2wdn n ASP 81 Ca -0.07 -3.51 0.00 0.00 -0.71 0.00 0.00 54.79 50.50 2wdn n ASP 81 Cb 0.27 -1.24 0.00 0.00 -1.35 0.00 0.00 41.12 38.80 2wdn n ASP 81 CO 0.00 0.00 0.00 1.21 -1.01 0.00 0.00 177.20 177.40 2wdn n GLU 82 N 0.80 0.00 -0.00 0.11 2.13 -1.22 -4.80 120.64 117.65 2wdn n GLU 82 Ca 0.42 0.00 -0.01 0.00 0.66 0.00 0.00 57.16 58.22 2wdn n GLU 82 Cb 0.29 0.00 -0.00 0.00 0.27 0.00 0.00 31.44 31.99 2wdn n GLU 82 CO 0.00 0.00 0.00 -0.89 -0.41 0.00 0.00 177.13 175.83 2wdn n ILE 83 N 0.00 0.51 -0.36 6.31 2.08 -0.18 -4.68 119.36 123.03 2wdn n ILE 83 Ca 0.00 0.24 0.28 0.00 0.56 0.00 0.00 62.75 63.83 2wdn n ILE 83 Cb 0.00 -1.47 0.56 0.00 -0.75 0.00 0.00 39.64 37.98 2wdn n ILE 83 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 2wdn h ALA 84 N -0.67 2.42 -0.35 -1.39 0.00 -1.23 -0.19 119.26 117.85 2wdn h ALA 84 Ca 0.00 0.08 0.04 0.00 0.00 0.00 0.00 54.91 55.02 2wdn h ALA 84 Cb 0.16 0.09 -0.04 0.00 0.00 0.00 0.00 17.79 18.00 2wdn h ALA 84 CO 0.00 -0.90 0.13 -1.35 0.00 0.00 0.00 179.25 177.13 2wdn h PRO 85 N 0.28 0.28 0.00 0.00 0.11 -1.81 -1.68 132.00 129.18 2wdn h PRO 85 Ca 0.67 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 66.76 2wdn h PRO 85 Cb 1.88 -0.06 0.00 0.00 0.11 0.00 0.00 31.00 32.92 2wdn h PRO 85 CO -0.33 0.18 0.00 0.54 -0.21 0.00 0.00 178.00 178.18 2wdn n ARG 86 N -5.01 0.00 0.00 1.05 1.74 -0.08 -1.14 116.66 113.22 2wdn n ARG 86 Ca 0.01 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.09 2wdn n ARG 86 Cb 0.12 -1.38 0.00 0.00 -1.02 0.00 0.00 32.46 30.18 2wdn n ARG 86 CO 0.00 0.00 0.00 0.66 -1.52 0.00 0.00 177.63 176.77 2wdn n TYR 87 N -0.84 0.00 -0.39 -1.55 4.01 -0.65 -4.86 117.16 112.88 2wdn n TYR 87 Ca 0.00 0.00 0.32 0.00 -0.16 0.00 0.00 57.90 58.06 2wdn n TYR 87 Cb 0.00 0.00 0.49 0.00 -0.31 0.00 0.00 39.34 39.52 2wdn n TYR 87 CO 0.00 0.00 0.00 -2.13 -0.46 0.00 0.00 176.86 174.27 2wdn n ARG 88 N -0.37 0.00 -0.30 -0.72 0.00 -0.29 0.80 116.66 115.78 2wdn n ARG 88 Ca 0.00 0.73 0.07 0.00 -0.00 0.00 0.00 57.85 58.65 2wdn n ARG 88 Cb 0.04 -1.73 0.20 0.00 0.00 0.00 0.00 32.46 30.97 2wdn n ARG 88 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.63 177.38 2wdn n ASP 89 N -3.11 3.34 -4.35 6.15 8.00 -1.26 -4.93 116.55 120.38 2wdn n ASP 89 Ca 0.26 -2.51 -0.36 0.00 0.71 0.00 0.00 54.79 52.89 2wdn n ASP 89 Cb 1.29 -0.38 -0.13 0.00 -0.02 0.00 0.00 41.12 41.89 2wdn n ASP 89 CO 0.00 0.00 0.00 -0.60 -0.39 0.00 0.00 177.20 176.21 2wdn s ARG 90 N -1.92 3.29 -1.12 -1.24 3.52 0.24 -5.03 118.95 116.69 2wdn s ARG 90 Ca 0.32 -0.71 -0.18 0.00 -0.13 0.00 0.00 55.73 55.03 2wdn s ARG 90 Cb 0.23 -3.24 0.11 0.00 -1.56 0.00 0.00 34.95 30.49 2wdn s ARG 90 CO 0.12 -0.31 1.43 -1.14 -0.81 0.00 0.00 175.30 174.58 2wdn s GLN 91 N 1.51 3.83 0.00 5.12 0.74 -1.26 -4.90 119.66 124.70 2wdn s GLN 91 Ca 0.04 -1.92 0.00 0.00 0.05 0.00 0.00 55.36 53.53 2wdn s GLN 91 Cb -0.16 -5.20 0.00 0.00 1.10 0.00 0.00 33.01 28.75 2wdn s GLN 91 CO 0.01 -1.98 0.00 0.41 -0.55 0.00 0.00 175.29 173.18 2wdn n GLY 92 N 5.37 -0.80 3.19 2.59 0.00 -1.26 -5.03 105.19 109.24 2wdn n GLY 92 Ca 0.36 -1.67 -0.08 0.00 0.00 0.00 0.00 46.02 44.63 2wdn n GLY 92 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2wdn n GLY 93 N -0.88 -1.21 0.07 -0.02 0.00 -1.26 -4.92 105.19 96.97 2wdn n GLY 93 Ca 0.00 0.52 0.11 0.00 0.00 0.00 0.00 46.02 46.65 2wdn n GLY 93 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 2wdn n TYR 94 N -2.41 0.00 -4.68 1.61 4.02 -1.26 -4.82 117.16 109.62 2wdn n TYR 94 Ca -0.04 0.00 -0.27 0.00 -0.01 0.00 0.00 57.90 57.58 2wdn n TYR 94 Cb 0.55 -0.13 -0.14 0.00 -0.02 0.00 0.00 39.34 39.60 2wdn n TYR 94 CO 0.00 0.00 0.00 -0.08 -1.01 0.00 0.00 176.86 175.77 2wdn s THR 95 N -2.89 1.84 0.07 -0.72 -1.32 -1.26 -0.49 115.64 110.86 2wdn s THR 95 Ca 0.12 -1.32 0.08 0.00 -1.21 0.00 0.00 61.69 59.37 2wdn s THR 95 Cb 0.17 -1.60 -0.03 0.00 -1.51 0.00 0.00 72.50 69.53 2wdn s THR 95 CO 0.72 0.22 -0.23 -0.60 -2.21 0.00 0.00 174.62 172.53 2wdn s ARG 96 N -1.31 1.45 -0.14 7.08 3.52 -0.15 -4.74 118.95 124.66 2wdn s ARG 96 Ca 0.09 -1.07 -0.03 0.00 -0.13 0.00 0.00 55.73 54.58 2wdn s ARG 96 Cb -0.09 -1.65 0.05 0.00 -1.56 0.00 0.00 34.95 31.70 2wdn s ARG 96 CO 0.02 0.41 0.06 0.08 -0.81 0.00 0.00 175.30 175.06 2wdn s VAL 97 N -0.90 0.14 0.06 7.11 1.01 -1.26 -1.57 120.40 125.00 2wdn s VAL 97 Ca 0.09 -0.15 0.08 0.00 0.00 0.00 0.00 61.98 62.01 2wdn s VAL 97 Cb -0.09 -0.63 -0.03 0.00 0.00 0.00 0.00 36.38 35.62 2wdn s VAL 97 CO 0.03 -0.12 -0.22 -0.76 0.00 0.00 0.00 175.10 174.03 2wdn s LEU 98 N 2.04 2.45 -0.12 3.92 1.43 -0.89 -4.94 118.68 122.58 2wdn s LEU 98 Ca 0.02 -0.53 -0.10 0.00 -1.03 0.00 0.00 54.13 52.49 2wdn s LEU 98 Cb -0.15 -1.41 -0.05 0.00 0.03 0.00 0.00 46.19 44.61 2wdn s LEU 98 CO -0.07 0.24 0.22 -1.59 0.23 0.00 0.00 176.35 175.38 2wdn s LYS 99 N -1.52 3.80 0.09 1.70 0.00 -1.26 0.21 119.74 122.76 2wdn s LYS 99 Ca 0.14 0.00 -0.13 0.00 0.00 0.00 0.00 55.97 55.98 2wdn s LYS 99 Cb -0.10 -3.28 -0.06 0.00 0.00 0.00 0.00 37.83 34.39 2wdn s LYS 99 CO 0.05 0.59 0.47 -0.51 0.00 0.00 0.00 175.35 175.95 2wdn s LEU 100 N -0.54 4.39 0.88 2.77 2.01 -0.36 -4.95 118.68 122.88 2wdn s LEU 100 Ca 0.16 0.98 -0.11 0.00 0.01 0.00 0.00 54.13 55.16 2wdn s LEU 100 Cb -0.13 -3.00 0.12 0.00 0.01 0.00 0.00 46.19 43.19 2wdn s LEU 100 CO 0.05 0.19 1.09 0.00 1.01 0.00 0.00 176.35 178.69 2wdn s ALA 101 N -1.33 1.61 0.01 4.21 0.00 -1.26 -4.42 121.76 120.58 2wdn s ALA 101 Ca 0.33 0.05 0.00 0.00 0.00 0.00 0.00 51.96 52.34 2wdn s ALA 101 Cb -0.15 -3.23 0.00 0.00 0.00 0.00 0.00 23.12 19.74 2wdn s ALA 101 CO 0.18 -2.31 0.00 0.39 0.00 0.00 0.00 175.76 174.01 2wdn n GLU 102 N -3.87 -0.18 -3.00 0.00 1.02 -1.26 -4.95 120.64 108.40 2wdn n GLU 102 Ca 0.08 0.50 -0.20 0.00 -0.02 0.00 0.00 57.16 57.51 2wdn n GLU 102 Cb 0.54 -0.14 0.01 0.00 -0.02 0.00 0.00 31.44 31.84 2wdn n GLU 102 CO 0.00 0.00 0.00 1.03 1.18 0.00 0.00 177.13 179.34 2wdn s ARG 103 N -3.15 2.89 -0.20 3.49 0.52 -1.26 -4.32 118.95 116.92 2wdn s ARG 103 Ca 0.00 -0.82 -0.29 0.00 -0.52 0.00 0.00 55.73 54.10 2wdn s ARG 103 Cb 0.00 -2.63 -0.02 0.00 0.52 0.00 0.00 34.95 32.82 2wdn s ARG 103 CO 0.00 -0.32 1.43 0.50 0.02 0.00 0.00 175.30 176.93 2wdn s ARG 104 N -4.49 4.03 -0.83 3.54 3.52 -1.07 -4.83 118.95 118.82 2wdn s ARG 104 Ca 0.51 1.64 -0.25 0.00 -0.13 0.00 0.00 55.73 57.50 2wdn s ARG 104 Cb -0.10 -3.90 0.02 0.00 -1.56 0.00 0.00 34.95 29.41 2wdn s ARG 104 CO 0.36 -0.99 1.49 1.03 -0.81 0.00 0.00 175.30 176.38 2wdn s ARG 105 N 4.07 3.16 0.00 5.12 0.52 -1.26 -0.37 118.95 130.19 2wdn s ARG 105 Ca 0.62 -0.39 0.00 0.00 -0.52 0.00 0.00 55.73 55.44 2wdn s ARG 105 Cb -0.23 -4.67 0.00 0.00 0.52 0.00 0.00 34.95 30.57 2wdn s ARG 105 CO 0.23 -2.39 0.00 0.41 0.02 0.00 0.00 175.30 173.57 2wdn n GLY 106 N 6.06 -0.06 0.00 -3.53 0.00 -1.26 -4.88 105.19 101.51 2wdn n GLY 106 Ca 0.19 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.21 2wdn n GLY 106 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2wdn n ASP 107 N 0.00 0.00 -3.63 1.61 3.85 -1.18 -5.03 116.55 112.17 2wdn n ASP 107 Ca 0.00 0.00 -0.24 0.00 -0.71 0.00 0.00 54.79 53.84 2wdn n ASP 107 Cb 0.00 0.00 0.01 0.00 -1.35 0.00 0.00 41.12 39.78 2wdn n ASP 107 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 2wdn n GLY 108 N 0.00 -0.80 3.50 6.12 0.00 0.50 -4.92 105.19 109.59 2wdn n GLY 108 Ca 0.00 0.36 -0.35 0.00 0.00 0.00 0.00 46.02 46.03 2wdn n GLY 108 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2wdn s ALA 109 N -3.17 3.14 0.43 4.61 0.00 -1.23 -4.83 121.76 120.72 2wdn s ALA 109 Ca 0.13 -0.93 -0.25 0.00 0.00 0.00 0.00 51.96 50.91 2wdn s ALA 109 Cb -0.07 -1.84 -0.10 0.00 0.00 0.00 0.00 23.12 21.11 2wdn s ALA 109 CO 0.65 -0.08 1.14 -0.35 0.00 0.00 0.00 175.76 177.12 2wdn n PRO 110 N 4.10 1.61 -5.01 0.00 -0.04 -1.26 -2.61 135.00 131.79 2wdn n PRO 110 Ca -0.17 0.58 -0.31 0.00 -0.04 0.00 0.00 63.50 63.56 2wdn n PRO 110 Cb 0.52 -2.22 -0.14 0.00 -0.04 0.00 0.00 33.50 31.61 2wdn n PRO 110 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 2wdn s LEU 111 N -1.23 2.33 0.17 1.53 1.43 -1.26 -3.10 118.68 118.56 2wdn s LEU 111 Ca 0.63 -0.43 0.04 0.00 -1.03 0.00 0.00 54.13 53.35 2wdn s LEU 111 Cb -0.53 -1.41 -0.05 0.00 0.03 0.00 0.00 46.19 44.24 2wdn s LEU 111 CO 0.57 0.30 -0.07 0.00 0.23 0.00 0.00 176.35 177.37 2wdn s ALA 112 N -0.74 1.58 0.10 4.21 0.00 0.14 -1.22 121.76 125.82 2wdn s ALA 112 Ca 0.12 -1.58 0.10 0.00 0.00 0.00 0.00 51.96 50.59 2wdn s ALA 112 Cb -0.10 0.18 -0.04 0.00 0.00 0.00 0.00 23.12 23.17 2wdn s ALA 112 CO 0.01 -0.14 -0.26 -0.48 0.00 0.00 0.00 175.76 174.89 2wdn s LEU 113 N -3.22 2.27 -0.23 0.00 0.05 0.13 -1.73 118.68 115.96 2wdn s LEU 113 Ca 0.21 -0.69 -0.01 0.00 0.05 0.00 0.00 54.13 53.69 2wdn s LEU 113 Cb 0.03 -1.18 0.06 0.00 -2.05 0.00 0.00 46.19 43.06 2wdn s LEU 113 CO 0.03 0.18 -0.01 -0.69 -0.55 0.00 0.00 176.35 175.32 2wdn s VAL 114 N -0.99 1.15 0.36 1.48 1.01 0.18 -2.09 120.40 121.51 2wdn s VAL 114 Ca 0.12 -1.03 0.08 0.00 0.00 0.00 0.00 61.98 61.15 2wdn s VAL 114 Cb -0.10 -1.54 -0.04 0.00 0.00 0.00 0.00 36.38 34.70 2wdn s VAL 114 CO 0.05 -0.19 0.21 -0.70 0.00 0.00 0.00 175.10 174.46 2wdn s GLU 115 N 1.56 2.42 -0.44 2.72 2.12 -0.61 -0.77 118.70 125.71 2wdn s GLU 115 Ca -0.03 -1.56 -0.17 0.00 0.36 0.00 0.00 54.97 53.57 2wdn s GLU 115 Cb -0.18 -2.22 0.03 0.00 0.26 0.00 0.00 34.13 32.03 2wdn s GLU 115 CO -0.08 0.02 0.46 -0.51 -0.54 0.00 0.00 175.26 174.61 2wdn s LEU 116 N -3.92 4.98 -0.36 2.70 1.43 -1.22 -0.97 118.68 121.31 2wdn s LEU 116 Ca 0.40 -0.80 -0.33 0.00 -1.03 0.00 0.00 54.13 52.38 2wdn s LEU 116 Cb -0.02 -2.37 -0.14 0.00 0.03 0.00 0.00 46.19 43.69 2wdn s LEU 116 CO 0.24 -0.64 1.31 0.52 0.23 0.00 0.00 176.35 178.01 2wdn n VAL 117 N 5.44 0.00 -1.26 -1.59 0.31 0.35 -4.91 118.33 116.67 2wdn n VAL 117 Ca -0.08 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.25 2wdn n VAL 117 Cb 0.47 -0.36 0.00 0.00 -0.91 0.00 0.00 33.84 33.04 2wdn n VAL 117 CO 0.00 0.00 0.00 1.21 -1.32 0.00 0.00 176.83 176.72