#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wdi n ALA 4 N 0.00 0.00 0.92 6.98 0.00 -1.26 -4.52 120.51 122.63 2wdi n ALA 4 Ca 0.00 0.00 0.09 0.00 0.00 0.00 0.00 53.44 53.53 2wdi n ALA 4 Cb 0.00 0.00 0.27 0.00 0.00 0.00 0.00 19.45 19.72 2wdi n ALA 4 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 2wdi n TYR 5 N 0.00 0.38 0.77 0.00 0.53 -1.26 -3.51 117.16 114.07 2wdi n TYR 5 Ca 0.00 -0.19 0.11 0.00 -1.02 0.00 0.00 57.90 56.80 2wdi n TYR 5 Cb 0.00 0.00 0.09 0.00 -1.03 0.00 0.00 39.34 38.40 2wdi n TYR 5 CO 0.00 0.00 0.00 -0.25 -1.02 0.00 0.00 176.86 175.59 2wdi n ASP 6 N 0.58 0.64 0.00 7.72 8.00 -1.26 -4.31 116.55 127.92 2wdi n ASP 6 Ca 0.15 -0.31 -0.17 0.00 0.71 0.00 0.00 54.79 55.17 2wdi n ASP 6 Cb 0.36 0.60 -0.11 0.00 -0.02 0.00 0.00 41.12 41.95 2wdi n ASP 6 CO 0.00 0.00 0.00 0.58 -0.39 0.00 0.00 177.20 177.39 2wdi h VAL 7 N 0.00 1.45 -3.31 2.53 2.07 -1.94 -3.41 116.25 113.63 2wdi h VAL 7 Ca 0.00 -2.08 -0.75 0.00 0.82 0.00 0.00 66.70 64.69 2wdi h VAL 7 Cb 0.63 2.65 -0.23 0.00 -1.52 0.00 0.00 31.29 32.82 2wdi h VAL 7 CO 0.00 0.60 0.22 -0.63 0.02 0.00 0.00 177.57 177.78 2wdi s ILE 8 N -3.16 5.27 0.00 4.57 1.01 -1.26 -0.80 121.20 126.83 2wdi s ILE 8 Ca -0.14 -1.97 0.00 0.00 0.00 0.00 0.00 60.65 58.54 2wdi s ILE 8 Cb 0.03 -4.52 0.00 0.00 0.01 0.00 0.00 42.46 37.97 2wdi s ILE 8 CO 0.81 -1.13 0.69 0.18 0.00 0.00 0.00 174.94 175.50 2wdi n LEU 9 N 4.99 0.00 0.00 2.97 4.77 -0.20 -4.98 117.00 124.55 2wdi n LEU 9 Ca 0.10 0.69 0.00 0.00 -0.03 0.00 0.00 56.01 56.77 2wdi n LEU 9 Cb 0.46 -0.19 0.00 0.00 -2.33 0.00 0.00 43.42 41.36 2wdi n LEU 9 CO 0.43 -0.19 0.00 0.00 -1.33 0.00 0.00 177.39 176.29 2wdi n ALA 10 N -1.15 0.00 -2.66 -1.18 0.00 -1.01 -5.00 120.51 109.51 2wdi n ALA 10 Ca 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 53.44 53.15 2wdi n ALA 10 Cb 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 19.35 2wdi n ALA 10 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 2wdi s PRO 11 N -1.07 2.02 0.00 0.00 0.04 -1.26 -2.10 135.00 132.63 2wdi s PRO 11 Ca 0.00 -2.21 0.00 0.00 0.04 0.00 0.00 61.00 58.83 2wdi s PRO 11 Cb 0.00 -1.50 0.00 0.00 0.04 0.00 0.00 34.50 33.04 2wdi s PRO 11 CO 0.00 -0.19 0.00 1.33 0.04 0.00 0.00 177.00 178.18 2wdi n VAL 12 N -1.06 0.00 -3.08 -0.36 0.24 0.15 -4.61 118.33 109.62 2wdi n VAL 12 Ca -0.10 0.00 -0.10 0.00 -2.04 0.00 0.00 64.34 62.10 2wdi n VAL 12 Cb 0.67 0.00 0.05 0.00 -1.47 0.00 0.00 33.84 33.08 2wdi n VAL 12 CO 0.00 0.00 0.00 0.18 -2.14 0.00 0.00 176.83 174.87 2wdi n LEU 13 N 0.00 -5.73 -3.57 1.34 4.77 -1.26 -4.93 117.00 107.62 2wdi n LEU 13 Ca 0.00 -0.48 -0.10 0.00 -0.03 0.00 0.00 56.01 55.40 2wdi n LEU 13 Cb 0.00 -3.07 -0.04 0.00 -2.33 0.00 0.00 43.42 37.97 2wdi n LEU 13 CO 0.00 -0.25 0.77 -0.94 -1.33 0.00 0.00 177.39 175.64 2wdi s SER 14 N -3.23 -0.36 0.10 -1.43 1.04 -1.26 -5.02 113.70 103.54 2wdi s SER 14 Ca 0.30 0.32 -0.20 0.00 0.48 0.00 0.00 55.95 56.85 2wdi s SER 14 Cb -0.04 0.31 -0.05 0.00 0.10 0.00 0.00 66.02 66.35 2wdi s SER 14 CO 0.69 -0.38 1.13 1.21 0.98 0.00 0.00 173.24 176.87 2wdi n GLU 15 N 0.54 -0.28 0.02 4.02 4.07 -1.26 -1.00 120.64 126.75 2wdi n GLU 15 Ca -0.10 1.11 -0.10 0.00 -0.06 0.00 0.00 57.16 58.01 2wdi n GLU 15 Cb 0.59 -1.64 -0.04 0.00 -0.06 0.00 0.00 31.44 30.28 2wdi n GLU 15 CO 0.00 0.00 0.00 -0.22 -0.06 0.00 0.00 177.13 176.85 2wdi h LYS 16 N 0.00 -0.12 -0.91 5.31 3.64 -2.00 -2.90 116.57 119.59 2wdi h LYS 16 Ca 0.10 0.01 0.10 0.00 -1.27 0.00 0.00 60.65 59.59 2wdi h LYS 16 Cb 0.26 0.03 -0.12 0.00 -0.41 0.00 0.00 32.23 31.99 2wdi h LYS 16 CO -0.61 -0.08 -0.49 0.00 -2.27 0.00 0.00 179.45 176.00 2wdi n ALA 17 N -2.38 -0.46 -0.25 5.00 0.00 -0.17 -0.73 120.51 121.52 2wdi n ALA 17 Ca -0.05 0.81 -0.05 0.00 0.00 0.00 0.00 53.44 54.15 2wdi n ALA 17 Cb 0.15 -0.20 0.05 0.00 0.00 0.00 0.00 19.45 19.45 2wdi n ALA 17 CO 0.00 0.00 0.00 1.88 0.00 0.00 0.00 177.50 179.38 2wdi h TYR 18 N 0.00 0.92 -0.32 0.00 0.05 -1.35 -2.61 116.97 113.66 2wdi h TYR 18 Ca 0.19 0.00 0.09 0.00 0.05 0.00 0.00 58.73 59.06 2wdi h TYR 18 Cb 0.42 -0.30 -0.01 0.00 1.01 0.00 0.00 36.73 37.84 2wdi h TYR 18 CO -0.90 0.62 0.55 0.00 -1.05 0.00 0.00 178.16 177.38 2wdi h ALA 19 N 1.23 1.95 0.00 3.88 0.00 -0.73 0.35 119.26 125.93 2wdi h ALA 19 Ca 0.25 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.15 2wdi h ALA 19 Cb -0.04 0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.77 2wdi h ALA 19 CO -0.05 -0.71 -0.28 0.41 0.00 0.00 0.00 179.25 178.62 2wdi n GLY 20 N -1.43 -1.45 0.34 0.00 0.00 -0.98 -3.77 105.19 97.89 2wdi n GLY 20 Ca 0.06 -0.19 0.22 0.00 0.00 0.00 0.00 46.02 46.11 2wdi n GLY 20 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 173.32 174.06 2wdi h PHE 21 N 0.00 0.00 0.00 1.61 0.05 -0.29 -2.70 116.94 115.61 2wdi h PHE 21 Ca 0.00 0.00 0.00 0.00 3.82 0.00 0.00 57.97 61.79 2wdi h PHE 21 Cb 0.60 0.00 0.00 0.00 2.00 0.00 0.00 35.95 38.55 2wdi h PHE 21 CO 0.00 0.00 0.00 0.00 -0.18 0.00 0.00 178.31 178.13 2wdi n ALA 22 N -2.09 -0.34 -1.24 2.45 0.00 -1.25 -4.65 120.51 113.39 2wdi n ALA 22 Ca -0.03 0.00 -0.30 0.00 0.00 0.00 0.00 53.44 53.11 2wdi n ALA 22 Cb 0.07 0.08 0.24 0.00 0.00 0.00 0.00 19.45 19.85 2wdi n ALA 22 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 2wdi s GLU 23 N -2.63 -1.21 0.00 0.00 8.01 -1.04 -4.82 118.70 117.01 2wdi s GLU 23 Ca 0.00 -0.27 0.00 0.00 0.01 0.00 0.00 54.97 54.71 2wdi s GLU 23 Cb 0.00 -1.62 0.00 0.00 -4.31 0.00 0.00 34.13 28.20 2wdi s GLU 23 CO 0.00 -3.67 1.26 0.41 0.01 0.00 0.00 175.26 173.27 2wdi n GLY 24 N -1.52 1.84 3.33 -1.39 0.00 -1.26 -4.78 105.19 101.41 2wdi n GLY 24 Ca 0.16 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.73 2wdi n GLY 24 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2wdi s LYS 25 N 0.41 2.93 -0.11 1.61 1.02 -1.09 -1.15 119.74 123.36 2wdi s LYS 25 Ca 0.00 -1.55 0.02 0.00 0.02 0.00 0.00 55.97 54.45 2wdi s LYS 25 Cb 0.00 -4.18 -0.01 0.00 -0.52 0.00 0.00 37.83 33.12 2wdi s LYS 25 CO 0.00 -1.18 -0.16 0.71 -0.92 0.00 0.00 175.35 173.80 2wdi s TYR 26 N 1.59 2.72 -0.09 3.18 1.51 -0.59 -3.31 117.35 122.35 2wdi s TYR 26 Ca 0.04 -0.66 -0.01 0.00 -1.01 0.00 0.00 57.07 55.43 2wdi s TYR 26 Cb -0.27 -1.77 -0.03 0.00 -0.11 0.00 0.00 41.96 39.78 2wdi s TYR 26 CO 0.04 -0.20 -0.05 0.95 -1.11 0.00 0.00 175.55 175.18 2wdi s THR 27 N 0.16 3.81 0.04 -0.71 -4.23 -1.26 -0.59 115.64 112.86 2wdi s THR 27 Ca -0.09 -0.42 0.05 0.00 -1.18 0.00 0.00 61.69 60.05 2wdi s THR 27 Cb -0.15 -2.59 -0.02 0.00 1.34 0.00 0.00 72.50 71.07 2wdi s THR 27 CO 0.05 0.57 -0.15 -0.36 -0.54 0.00 0.00 174.62 174.20 2wdi s PHE 28 N -0.50 1.28 -0.36 3.99 0.40 0.16 0.32 117.98 123.27 2wdi s PHE 28 Ca 0.08 -0.37 -0.29 0.00 -0.60 0.00 0.00 56.93 55.75 2wdi s PHE 28 Cb -0.12 -0.75 0.01 0.00 0.51 0.00 0.00 43.02 42.67 2wdi s PHE 28 CO 0.02 0.04 1.24 -1.58 0.70 0.00 0.00 175.22 175.65 2wdi s TRP 29 N -0.90 2.75 0.41 0.36 0.23 -0.89 -1.01 118.94 119.89 2wdi s TRP 29 Ca 0.02 0.86 0.08 0.00 -2.03 0.00 0.00 56.10 55.02 2wdi s TRP 29 Cb -0.08 -4.06 -0.04 0.00 0.03 0.00 0.00 33.47 29.32 2wdi s TRP 29 CO 0.01 -1.48 0.23 0.14 0.96 0.00 0.00 176.95 176.81 2wdi s VAL 30 N 4.45 2.48 0.05 4.03 -7.23 -0.82 -1.03 120.40 122.33 2wdi s VAL 30 Ca 0.53 -1.60 -0.30 0.00 -1.81 0.00 0.00 61.98 58.79 2wdi s VAL 30 Cb -0.13 -3.00 -0.08 0.00 0.56 0.00 0.00 36.38 33.73 2wdi s VAL 30 CO 0.25 -0.02 1.77 -2.28 -0.31 0.00 0.00 175.10 174.51 2wdi s HIS 31 N -2.55 2.00 0.58 2.82 2.46 0.02 -4.07 115.29 116.55 2wdi s HIS 31 Ca 0.43 0.02 0.31 0.00 0.47 0.00 0.00 55.06 56.28 2wdi s HIS 31 Cb 0.01 -4.08 1.38 0.00 -0.13 0.00 0.00 32.58 29.77 2wdi s HIS 31 CO 0.24 -4.52 1.74 -1.00 -2.47 0.00 0.00 174.74 168.72 2wdi h PRO 32 N 9.16 0.00 -0.01 2.88 0.13 -1.92 0.65 132.00 142.89 2wdi h PRO 32 Ca -0.45 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.68 2wdi h PRO 32 Cb 1.21 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.34 2wdi h PRO 32 CO 0.94 0.00 -0.23 1.63 -0.23 0.00 0.00 178.00 180.11 2wdi n LYS 33 N -3.72 1.27 -0.42 0.86 4.76 -1.26 -4.85 118.16 114.80 2wdi n LYS 33 Ca 0.16 -0.88 -0.28 0.00 -2.87 0.00 0.00 58.31 54.45 2wdi n LYS 33 Cb 1.02 -1.48 0.24 0.00 -1.84 0.00 0.00 35.03 32.97 2wdi n LYS 33 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 2wdi n ALA 34 N -0.10 -3.60 -2.37 7.82 0.00 0.23 -5.04 120.51 117.45 2wdi n ALA 34 Ca 0.13 -1.48 -0.17 0.00 0.00 0.00 0.00 53.44 51.92 2wdi n ALA 34 Cb 0.41 -1.54 -0.10 0.00 0.00 0.00 0.00 19.45 18.21 2wdi n ALA 34 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 2wdi s THR 35 N -2.20 1.44 0.31 0.00 2.01 -1.26 -4.97 115.64 110.98 2wdi s THR 35 Ca 0.60 -1.98 0.03 0.00 0.31 0.00 0.00 61.69 60.64 2wdi s THR 35 Cb -0.15 -1.80 0.29 0.00 0.01 0.00 0.00 72.50 70.85 2wdi s THR 35 CO 0.56 -0.56 1.90 0.11 -0.69 0.00 0.00 174.62 175.94 2wdi h LYS 36 N 2.99 0.91 0.16 4.92 1.79 -1.96 0.55 116.57 125.93 2wdi h LYS 36 Ca -0.38 -0.05 -0.29 0.00 -2.18 0.00 0.00 60.65 57.74 2wdi h LYS 36 Cb 1.20 -0.20 0.01 0.00 -1.58 0.00 0.00 32.23 31.66 2wdi h LYS 36 CO 0.58 0.60 -1.30 1.15 -1.08 0.00 0.00 179.45 179.40 2wdi h THR 37 N 0.94 1.43 -0.70 -0.16 2.02 -1.96 -2.30 112.91 112.17 2wdi h THR 37 Ca 0.41 -2.94 -0.05 0.00 0.77 0.00 0.00 66.41 64.59 2wdi h THR 37 Cb 0.34 2.96 -0.03 0.00 -1.74 0.00 0.00 68.15 69.68 2wdi h THR 37 CO -0.17 0.87 0.23 -0.08 0.37 0.00 0.00 175.52 176.73 2wdi h GLU 38 N 0.10 1.07 0.00 6.66 4.81 -1.77 -2.67 114.58 122.79 2wdi h GLU 38 Ca -0.17 -0.21 0.00 0.00 -0.13 0.00 0.00 59.36 58.85 2wdi h GLU 38 Cb 2.02 -0.16 0.00 0.00 0.63 0.00 0.00 28.75 31.24 2wdi h GLU 38 CO 0.23 0.91 0.00 -0.89 -0.73 0.00 0.00 179.01 178.52 2wdi n ILE 39 N -4.26 0.00 -0.29 2.32 2.08 0.19 -2.31 119.36 117.08 2wdi n ILE 39 Ca 0.06 1.49 -0.05 0.00 0.56 0.00 0.00 62.75 64.80 2wdi n ILE 39 Cb 0.22 -2.42 -0.04 0.00 -0.75 0.00 0.00 39.64 36.65 2wdi n ILE 39 CO 0.00 0.00 0.00 1.17 0.56 0.00 0.00 176.55 178.28 2wdi n LYS 40 N -2.11 -0.26 0.08 0.38 4.81 -0.87 -0.93 118.16 119.26 2wdi n LYS 40 Ca 0.00 1.09 -0.08 0.00 -0.87 0.00 0.00 58.31 58.45 2wdi n LYS 40 Cb 0.00 -1.61 -0.04 0.00 0.02 0.00 0.00 35.03 33.40 2wdi n LYS 40 CO 0.00 0.00 0.00 -0.91 1.17 0.00 0.00 177.40 177.66 2wdi h ASN 41 N 0.00 -0.67 -0.96 3.14 -0.26 -1.49 -1.46 115.58 113.89 2wdi h ASN 41 Ca 0.16 0.06 0.30 0.00 -0.56 0.00 0.00 56.30 56.27 2wdi h ASN 41 Cb 0.34 0.24 -0.15 0.00 -1.06 0.00 0.00 38.32 37.68 2wdi h ASN 41 CO -0.69 -0.26 0.40 0.00 -1.06 0.00 0.00 177.43 175.82 2wdi h ALA 42 N -1.22 1.68 0.57 -0.83 0.00 -0.80 0.88 119.26 119.54 2wdi h ALA 42 Ca -0.01 0.23 -0.02 0.00 0.00 0.00 0.00 54.91 55.10 2wdi h ALA 42 Cb 0.35 0.28 -0.00 0.00 0.00 0.00 0.00 17.79 18.42 2wdi h ALA 42 CO -0.09 -0.59 -0.37 0.28 0.00 0.00 0.00 179.25 178.49 2wdi h VAL 43 N 0.21 0.00 0.04 0.00 2.07 -0.52 -3.17 116.25 114.88 2wdi h VAL 43 Ca 0.68 0.00 0.00 0.00 0.82 0.00 0.00 66.70 68.20 2wdi h VAL 43 Cb 1.52 0.00 -0.02 0.00 -1.52 0.00 0.00 31.29 31.27 2wdi h VAL 43 CO -0.68 0.00 -0.17 -0.33 0.02 0.00 0.00 177.57 176.41 2wdi h GLU 44 N -0.89 -0.24 -1.98 1.57 5.08 -0.05 -0.94 114.58 117.13 2wdi h GLU 44 Ca -0.08 0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.30 2wdi h GLU 44 Cb 0.71 0.05 0.00 0.00 0.50 0.00 0.00 28.75 30.02 2wdi h GLU 44 CO 0.07 -0.16 0.00 0.25 -1.00 0.00 0.00 179.01 178.17 2wdi n THR 45 N -3.44 0.19 0.00 1.13 -2.24 0.14 0.97 114.28 111.04 2wdi n THR 45 Ca -0.03 -0.04 0.00 0.00 -2.27 0.00 0.00 64.05 61.71 2wdi n THR 45 Cb 0.13 -0.97 0.00 0.00 -2.10 0.00 0.00 70.33 67.40 2wdi n THR 45 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2wdi n ALA 46 N 1.78 0.12 -0.12 6.98 0.00 -1.03 -4.84 120.51 123.40 2wdi n ALA 46 Ca 0.00 0.00 0.08 0.00 0.00 0.00 0.00 53.44 53.52 2wdi n ALA 46 Cb 0.05 0.00 0.19 0.00 0.00 0.00 0.00 19.45 19.69 2wdi n ALA 46 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 2wdi n PHE 47 N -1.82 0.54 -3.34 0.00 3.01 -0.39 -5.00 117.46 110.46 2wdi n PHE 47 Ca 0.00 -0.43 -0.17 0.00 1.01 0.00 0.00 57.45 57.86 2wdi n PHE 47 Cb 0.00 -0.02 0.00 0.00 -0.01 0.00 0.00 39.48 39.45 2wdi n PHE 47 CO 0.00 0.00 0.00 1.63 1.01 0.00 0.00 176.76 179.40 2wdi n LYS 48 N 0.87 -1.03 -4.14 -1.08 5.02 0.27 -4.96 118.16 113.11 2wdi n LYS 48 Ca 0.15 0.50 -0.11 0.00 -2.02 0.00 0.00 58.31 56.83 2wdi n LYS 48 Cb 0.47 -1.45 -0.08 0.00 -0.02 0.00 0.00 35.03 33.94 2wdi n LYS 48 CO 0.00 0.00 0.00 0.14 -0.52 0.00 0.00 177.40 177.02 2wdi s VAL 49 N -2.59 0.00 -0.24 -0.18 -7.23 -1.22 -5.05 120.40 103.88 2wdi s VAL 49 Ca 0.01 -1.80 -0.08 0.00 -1.81 0.00 0.00 61.98 58.30 2wdi s VAL 49 Cb -0.00 -2.41 -0.03 0.00 0.56 0.00 0.00 36.38 34.49 2wdi s VAL 49 CO 0.59 0.00 0.08 -0.75 -0.31 0.00 0.00 175.10 174.72 2wdi s LYS 50 N -4.06 3.73 -0.11 4.82 2.20 -1.26 -4.25 119.74 120.82 2wdi s LYS 50 Ca 0.34 -0.44 -0.08 0.00 -0.36 0.00 0.00 55.97 55.42 2wdi s LYS 50 Cb 0.04 -3.35 -0.04 0.00 -1.51 0.00 0.00 37.83 32.97 2wdi s LYS 50 CO 0.12 -0.13 0.18 0.08 -0.36 0.00 0.00 175.35 175.24 2wdi s VAL 51 N 1.47 5.44 -0.01 4.02 1.01 -1.26 0.21 120.40 131.27 2wdi s VAL 51 Ca 0.06 0.30 0.03 0.00 0.00 0.00 0.00 61.98 62.36 2wdi s VAL 51 Cb -0.15 -3.45 -0.04 0.00 0.00 0.00 0.00 36.38 32.74 2wdi s VAL 51 CO 0.04 0.60 0.06 0.52 0.00 0.00 0.00 175.10 176.33 2wdi n VAL 52 N 2.06 0.00 -3.74 2.92 0.31 0.28 -4.81 118.33 115.35 2wdi n VAL 52 Ca -0.19 -0.10 -0.13 0.00 -0.01 0.00 0.00 64.34 63.91 2wdi n VAL 52 Cb 0.54 0.49 -0.10 0.00 -0.91 0.00 0.00 33.84 33.87 2wdi n VAL 52 CO 0.00 0.00 0.00 -0.75 -1.32 0.00 0.00 176.83 174.76 2wdi s LYS 53 N -2.09 0.51 -0.03 5.55 2.20 -1.22 -5.00 119.74 119.65 2wdi s LYS 53 Ca -0.01 0.39 -0.00 0.00 -0.36 0.00 0.00 55.97 55.98 2wdi s LYS 53 Cb 0.02 0.24 0.03 0.00 -1.51 0.00 0.00 37.83 36.61 2wdi s LYS 53 CO 0.11 -0.09 0.03 0.08 -0.36 0.00 0.00 175.35 175.12 2wdi s VAL 54 N -0.14 0.03 0.03 4.02 1.01 -1.26 -0.11 120.40 123.98 2wdi s VAL 54 Ca -0.03 0.23 0.09 0.00 0.00 0.00 0.00 61.98 62.26 2wdi s VAL 54 Cb -0.03 -0.19 -0.03 0.00 0.00 0.00 0.00 36.38 36.14 2wdi s VAL 54 CO 0.02 0.14 -0.25 0.20 0.00 0.00 0.00 175.10 175.20 2wdi s ASN 55 N 1.40 3.22 0.29 3.32 0.02 -0.69 -4.98 114.94 117.52 2wdi s ASN 55 Ca -0.05 -0.54 0.03 0.00 -1.02 0.00 0.00 52.86 51.28 2wdi s ASN 55 Cb -0.13 -0.34 -0.06 0.00 0.02 0.00 0.00 41.25 40.74 2wdi s ASN 55 CO -0.03 0.27 0.05 0.42 0.02 0.00 0.00 177.10 177.84 2wdi s THR 56 N -0.77 0.99 -0.30 1.60 -4.23 -1.26 -0.44 115.64 111.24 2wdi s THR 56 Ca 0.12 -2.01 -0.19 0.00 -1.18 0.00 0.00 61.69 58.43 2wdi s THR 56 Cb -0.10 -2.65 0.19 0.00 1.34 0.00 0.00 72.50 71.28 2wdi s THR 56 CO 0.02 -0.07 1.24 -1.48 -0.54 0.00 0.00 174.62 173.78 2wdi s LEU 57 N -3.40 -0.16 0.67 4.79 -0.00 -0.81 -5.00 118.68 114.77 2wdi s LEU 57 Ca 0.35 0.27 -0.14 0.00 -0.00 0.00 0.00 54.13 54.61 2wdi s LEU 57 Cb 0.08 1.25 0.00 0.00 -0.00 0.00 0.00 46.19 47.52 2wdi s LEU 57 CO 0.14 -0.04 1.08 -1.00 -0.00 0.00 0.00 176.35 176.53 2wdi s HIS 58 N 0.81 2.78 -0.27 3.48 3.76 -1.26 -1.33 115.29 123.26 2wdi s HIS 58 Ca -0.04 1.52 -0.01 0.00 -0.15 0.00 0.00 55.06 56.39 2wdi s HIS 58 Cb -0.03 -3.06 0.08 0.00 1.11 0.00 0.00 32.58 30.68 2wdi s HIS 58 CO -0.12 -1.49 0.05 0.08 -0.85 0.00 0.00 174.74 172.41 2wdi s VAL 59 N -2.57 1.03 0.02 -0.90 1.01 0.83 -4.86 120.40 114.96 2wdi s VAL 59 Ca 0.64 -1.22 -0.30 0.00 0.00 0.00 0.00 61.98 61.10 2wdi s VAL 59 Cb -0.18 -1.61 -0.08 0.00 0.00 0.00 0.00 36.38 34.51 2wdi s VAL 59 CO 0.45 -0.43 1.88 -0.60 0.00 0.00 0.00 175.10 176.40 2wdi s ARG 60 N 1.58 4.15 -0.04 2.72 3.52 -1.26 -1.28 118.95 128.34 2wdi s ARG 60 Ca 0.04 2.50 -0.30 0.00 -0.13 0.00 0.00 55.73 57.84 2wdi s ARG 60 Cb -0.18 -4.10 -0.06 0.00 -1.56 0.00 0.00 34.95 29.06 2wdi s ARG 60 CO -0.16 -0.92 1.63 0.20 -0.81 0.00 0.00 175.30 175.24 2wdi s GLY 61 N 4.10 1.56 0.37 8.12 0.00 -1.25 -4.94 107.32 115.28 2wdi s GLY 61 Ca 0.84 0.95 -0.27 0.00 0.00 0.00 0.00 44.72 46.24 2wdi s GLY 61 CO 0.38 2.98 1.36 0.28 0.00 0.00 0.00 173.10 178.11 2wdi n LYS 62 N 6.86 2.29 -3.21 2.90 5.02 -1.26 -4.16 118.16 126.60 2wdi n LYS 62 Ca 0.17 0.80 -0.39 0.00 -2.02 0.00 0.00 58.31 56.87 2wdi n LYS 62 Cb 0.43 -2.47 -0.06 0.00 -0.02 0.00 0.00 35.03 32.91 2wdi n LYS 62 CO 0.00 0.00 0.00 -1.59 -0.52 0.00 0.00 177.40 175.29 2wdi s LYS 63 N -2.04 4.34 0.50 1.97 -2.85 -1.26 -1.63 119.74 118.76 2wdi s LYS 63 Ca 0.56 0.69 0.01 0.00 -1.00 0.00 0.00 55.97 56.23 2wdi s LYS 63 Cb -0.52 -3.38 -0.01 0.00 -2.06 0.00 0.00 37.83 31.86 2wdi s LYS 63 CO 0.62 0.27 0.04 0.15 0.10 0.00 0.00 175.35 176.53 2wdi s LYS 64 N 0.17 2.16 -0.22 1.78 1.02 -0.64 -4.95 119.74 119.06 2wdi s LYS 64 Ca 0.31 -2.38 -0.17 0.00 0.02 0.00 0.00 55.97 53.75 2wdi s LYS 64 Cb -0.17 -1.24 0.06 0.00 -0.52 0.00 0.00 37.83 35.96 2wdi s LYS 64 CO 0.16 -0.44 0.56 0.50 -0.92 0.00 0.00 175.35 175.21 2wdi s ARG 65 N -3.83 0.62 -0.35 1.68 3.52 -1.26 -1.56 118.95 117.76 2wdi s ARG 65 Ca 0.07 0.88 0.00 0.00 -0.13 0.00 0.00 55.73 56.56 2wdi s ARG 65 Cb 0.01 0.22 0.09 0.00 -1.56 0.00 0.00 34.95 33.71 2wdi s ARG 65 CO 0.05 -0.11 0.09 -1.17 -0.81 0.00 0.00 175.30 173.35 2wdi s LEU 66 N 0.80 4.71 0.00 -0.88 0.20 -0.43 -5.00 118.68 118.08 2wdi s LEU 66 Ca -0.04 -1.92 0.00 0.00 0.69 0.00 0.00 54.13 52.86 2wdi s LEU 66 Cb -0.05 -1.71 0.00 0.00 -0.43 0.00 0.00 46.19 44.00 2wdi s LEU 66 CO -0.06 -0.41 0.00 0.61 -0.29 0.00 0.00 176.35 176.20 2wdi n GLY 67 N 4.45 1.46 0.18 7.98 0.00 -1.26 -2.65 105.19 115.35 2wdi n GLY 67 Ca -0.02 -0.54 0.12 0.00 0.00 0.00 0.00 46.02 45.57 2wdi n GLY 67 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 2wdi h ARG 68 N 0.00 0.00 -6.00 1.61 -0.00 -2.04 -3.44 114.38 104.50 2wdi h ARG 68 Ca 0.00 0.00 -0.59 0.00 -0.00 0.00 0.00 59.98 59.39 2wdi h ARG 68 Cb 0.00 0.00 -0.08 0.00 -0.00 0.00 0.00 29.97 29.89 2wdi h ARG 68 CO 0.00 0.00 0.61 0.71 -0.00 0.00 0.00 179.97 181.29 2wdi s TYR 69 N -3.22 3.20 -0.06 4.08 1.51 -1.08 -5.03 117.35 116.74 2wdi s TYR 69 Ca 0.06 1.03 -0.02 0.00 -1.01 0.00 0.00 57.07 57.12 2wdi s TYR 69 Cb 0.07 -3.40 -0.04 0.00 -0.11 0.00 0.00 41.96 38.49 2wdi s TYR 69 CO 0.68 -0.63 0.07 -1.17 -1.11 0.00 0.00 175.55 173.39 2wdi s LEU 70 N 3.24 3.90 0.00 -1.29 0.20 -1.26 -1.32 118.68 122.15 2wdi s LEU 70 Ca 0.38 0.22 -0.02 0.00 0.69 0.00 0.00 54.13 55.40 2wdi s LEU 70 Cb -0.13 -2.08 0.01 0.00 -0.43 0.00 0.00 46.19 43.55 2wdi s LEU 70 CO 0.13 0.34 0.14 0.61 -0.29 0.00 0.00 176.35 177.27 2wdi n GLY 71 N 1.66 2.07 3.31 7.98 0.00 -0.60 -5.01 105.19 114.61 2wdi n GLY 71 Ca -0.16 -1.15 -0.17 0.00 0.00 0.00 0.00 46.02 44.54 2wdi n GLY 71 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2wdi s LYS 72 N -2.05 1.24 -0.07 1.61 3.01 -1.26 -1.62 119.74 120.61 2wdi s LYS 72 Ca 0.04 -1.56 -0.03 0.00 -1.01 0.00 0.00 55.97 53.41 2wdi s LYS 72 Cb -0.01 -0.91 -0.04 0.00 -1.01 0.00 0.00 37.83 35.86 2wdi s LYS 72 CO 0.03 0.12 0.09 1.03 0.51 0.00 0.00 175.35 177.13 2wdi s ARG 73 N -3.70 3.23 0.29 1.68 0.52 -0.65 -4.85 118.95 115.47 2wdi s ARG 73 Ca 0.21 -0.31 -0.27 0.00 -0.52 0.00 0.00 55.73 54.84 2wdi s ARG 73 Cb 0.01 -2.99 -0.15 0.00 0.52 0.00 0.00 34.95 32.34 2wdi s ARG 73 CO 0.05 0.71 0.71 -0.35 0.02 0.00 0.00 175.30 176.44 2wdi n PRO 74 N 1.69 0.66 -3.03 3.54 -0.04 -1.26 -3.82 135.00 132.75 2wdi n PRO 74 Ca -0.17 0.23 -0.36 0.00 -0.04 0.00 0.00 63.50 63.17 2wdi n PRO 74 Cb 0.54 -1.44 -0.06 0.00 -0.04 0.00 0.00 33.50 32.49 2wdi n PRO 74 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 2wdi s ASP 75 N -0.81 7.11 0.21 3.54 1.11 -1.26 -3.99 116.67 122.58 2wdi s ASP 75 Ca 0.61 1.51 0.03 0.00 0.18 0.00 0.00 52.55 54.89 2wdi s ASP 75 Cb -0.76 -2.45 -0.05 0.00 1.07 0.00 0.00 42.92 40.72 2wdi s ASP 75 CO 0.58 0.00 -0.02 -0.13 1.18 0.00 0.00 175.17 176.78 2wdi s ARG 76 N -2.03 1.26 -0.08 8.23 3.00 -0.40 -4.92 118.95 124.01 2wdi s ARG 76 Ca 0.45 -1.62 0.04 0.00 0.00 0.00 0.00 55.73 54.61 2wdi s ARG 76 Cb -0.17 -0.56 -0.00 0.00 0.00 0.00 0.00 34.95 34.22 2wdi s ARG 76 CO 0.21 -0.07 -0.22 0.21 0.00 0.00 0.00 175.30 175.43 2wdi s LYS 77 N -3.85 2.55 -0.02 3.54 2.20 -1.26 0.29 119.74 123.19 2wdi s LYS 77 Ca 0.26 -0.79 0.06 0.00 -0.36 0.00 0.00 55.97 55.14 2wdi s LYS 77 Cb 0.05 -2.04 -0.01 0.00 -1.51 0.00 0.00 37.83 34.32 2wdi s LYS 77 CO 0.07 0.22 -0.20 -1.59 -0.36 0.00 0.00 175.35 173.48 2wdi s LYS 78 N 0.20 1.76 0.24 4.03 -2.85 -0.45 -1.95 119.74 120.73 2wdi s LYS 78 Ca -0.12 -0.73 0.11 0.00 -1.00 0.00 0.00 55.97 54.22 2wdi s LYS 78 Cb -0.16 -1.65 -0.05 0.00 -2.06 0.00 0.00 37.83 33.92 2wdi s LYS 78 CO 0.06 0.41 -0.14 0.00 0.10 0.00 0.00 175.35 175.78 2wdi s ALA 79 N -0.38 2.85 -0.19 0.59 0.00 -0.18 -1.93 121.76 122.52 2wdi s ALA 79 Ca 0.05 -1.69 -0.03 0.00 0.00 0.00 0.00 51.96 50.30 2wdi s ALA 79 Cb -0.09 -0.50 0.06 0.00 0.00 0.00 0.00 23.12 22.59 2wdi s ALA 79 CO -0.00 0.35 0.04 -1.50 0.00 0.00 0.00 175.76 174.65 2wdi s ILE 80 N -2.12 0.46 0.16 0.00 -1.16 0.42 0.36 121.20 119.32 2wdi s ILE 80 Ca 0.27 -0.52 -0.04 0.00 -0.51 0.00 0.00 60.65 59.85 2wdi s ILE 80 Cb -0.07 -0.99 -0.05 0.00 0.61 0.00 0.00 42.46 41.96 2wdi s ILE 80 CO 0.15 -0.22 0.38 0.68 -2.81 0.00 0.00 174.94 173.12 2wdi s VAL 81 N 1.89 5.18 -0.32 4.00 -7.23 0.24 -1.71 120.40 122.45 2wdi s VAL 81 Ca -0.01 -0.06 -0.03 0.00 -1.81 0.00 0.00 61.98 60.07 2wdi s VAL 81 Cb -0.17 -3.65 0.05 0.00 0.56 0.00 0.00 36.38 33.17 2wdi s VAL 81 CO -0.08 -0.02 0.04 -1.58 -0.31 0.00 0.00 175.10 173.15 2wdi s GLN 82 N -2.82 2.44 0.24 4.82 2.00 0.85 -1.54 119.66 125.65 2wdi s GLN 82 Ca 0.40 -1.29 -0.30 0.00 -2.00 0.00 0.00 55.36 52.18 2wdi s GLN 82 Cb -0.12 -3.28 -0.09 0.00 0.80 0.00 0.00 33.01 30.32 2wdi s GLN 82 CO 0.26 -0.67 1.01 0.14 -0.50 0.00 0.00 175.29 175.53 2wdi s VAL 83 N 1.28 3.88 0.33 1.34 -7.23 -0.30 0.99 120.40 120.69 2wdi s VAL 83 Ca -0.03 1.84 -0.25 0.00 -1.81 0.00 0.00 61.98 61.73 2wdi s VAL 83 Cb -0.20 -4.17 -0.14 0.00 0.56 0.00 0.00 36.38 32.43 2wdi s VAL 83 CO -0.00 0.42 0.59 0.00 -0.31 0.00 0.00 175.10 175.79 2wdi n ALA 84 N 1.57 -1.77 -1.38 1.32 0.00 0.57 -4.58 120.51 116.23 2wdi n ALA 84 Ca -0.01 0.28 -0.43 0.00 0.00 0.00 0.00 53.44 53.28 2wdi n ALA 84 Cb 0.46 -1.75 -0.01 0.00 0.00 0.00 0.00 19.45 18.16 2wdi n ALA 84 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 2wdi n PRO 85 N 0.82 0.22 0.00 0.00 -0.04 -1.26 -2.22 135.00 132.52 2wdi n PRO 85 Ca 0.13 0.08 0.00 0.00 -0.04 0.00 0.00 63.50 63.67 2wdi n PRO 85 Cb 0.34 -1.18 0.00 0.00 -0.04 0.00 0.00 33.50 32.62 2wdi n PRO 85 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2wdi n GLY 86 N 2.06 1.61 2.49 0.55 0.00 -1.26 -4.98 105.19 105.67 2wdi n GLY 86 Ca 0.13 -0.16 -0.23 0.00 0.00 0.00 0.00 46.02 45.75 2wdi n GLY 86 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2wdi n GLN 87 N 0.00 -3.70 -3.64 1.61 6.02 -0.94 -5.08 117.38 111.65 2wdi n GLN 87 Ca 0.00 -1.18 -0.02 0.00 -0.01 0.00 0.00 57.00 55.78 2wdi n GLN 87 Cb 0.00 -1.38 -0.03 0.00 1.02 0.00 0.00 30.24 29.85 2wdi n GLN 87 CO 0.00 0.00 0.00 -1.59 -1.01 0.00 0.00 177.06 174.46 2wdi s LYS 88 N -4.68 0.08 -0.25 -1.09 -2.85 -1.26 -4.94 119.74 104.75 2wdi s LYS 88 Ca 0.52 -0.01 -0.08 0.00 -1.00 0.00 0.00 55.97 55.40 2wdi s LYS 88 Cb -0.08 0.04 -0.04 0.00 -2.06 0.00 0.00 37.83 35.69 2wdi s LYS 88 CO 0.42 -0.03 0.10 0.42 0.10 0.00 0.00 175.35 176.36 2wdi s ILE 89 N -1.61 4.61 0.01 3.79 1.01 -1.26 -4.99 121.20 122.76 2wdi s ILE 89 Ca 0.10 -0.07 -0.22 0.00 0.00 0.00 0.00 60.65 60.46 2wdi s ILE 89 Cb -0.01 -3.16 -0.17 0.00 0.01 0.00 0.00 42.46 39.14 2wdi s ILE 89 CO -0.05 0.34 1.28 -0.33 0.00 0.00 0.00 174.94 176.18 2wdi h GLU 90 N 8.02 0.27 -0.98 2.79 4.39 -1.97 -2.27 114.58 124.84 2wdi h GLU 90 Ca -0.37 -0.16 0.32 0.00 0.34 0.00 0.00 59.36 59.49 2wdi h GLU 90 Cb 1.18 0.01 -0.17 0.00 -0.10 0.00 0.00 28.75 29.67 2wdi h GLU 90 CO 0.59 0.73 0.27 0.00 -1.16 0.00 0.00 179.01 179.44 2wdi h ALA 91 N 0.53 1.58 0.00 3.43 0.00 -2.00 0.26 119.26 123.07 2wdi h ALA 91 Ca 0.01 0.29 0.00 0.00 0.00 0.00 0.00 54.91 55.21 2wdi h ALA 91 Cb 0.71 0.44 0.00 0.00 0.00 0.00 0.00 17.79 18.93 2wdi h ALA 91 CO 0.03 -0.69 -1.26 1.28 0.00 0.00 0.00 179.25 178.62 2wdi n LEU 92 N -5.34 0.59 0.00 0.00 4.77 -1.23 -4.07 117.00 111.71 2wdi n LEU 92 Ca 0.29 0.18 0.02 0.00 -0.03 0.00 0.00 56.01 56.47 2wdi n LEU 92 Cb 0.94 -0.05 0.13 0.00 -2.33 0.00 0.00 43.42 42.11 2wdi n LEU 92 CO -0.01 -0.10 0.32 -0.62 -1.33 0.00 0.00 177.39 175.65 2wdi n GLU 93 N -2.44 0.21 -0.02 3.23 -0.58 0.92 -3.45 120.64 118.51 2wdi n GLU 93 Ca -0.01 0.00 -0.03 0.00 -0.42 0.00 0.00 57.16 56.71 2wdi n GLU 93 Cb 0.53 -1.33 -0.01 0.00 -0.57 0.00 0.00 31.44 30.06 2wdi n GLU 93 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2wdi n GLY 94 N -0.49 -0.32 0.00 0.62 0.00 -1.22 -5.06 105.19 98.72 2wdi n GLY 94 Ca 0.03 -0.09 0.00 0.00 0.00 0.00 0.00 46.02 45.96 2wdi n GLY 94 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22