#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wdk s ARG 3 N 0.00 1.44 0.00 0.00 1.70 -1.26 -4.58 118.95 116.25 2wdk s ARG 3 Ca 0.00 -0.45 0.00 0.00 -0.47 0.00 0.00 55.73 54.81 2wdk s ARG 3 Cb 0.00 -5.00 0.00 0.00 -0.57 0.00 0.00 34.95 29.38 2wdk s ARG 3 CO 0.00 -5.14 0.82 -0.89 -1.08 0.00 0.00 175.30 169.01 2wdk n ILE 4 N 8.81 0.00 -0.17 4.99 5.41 -0.55 -4.70 119.36 133.15 2wdk n ILE 4 Ca 0.42 1.32 -0.05 0.00 1.00 0.00 0.00 62.75 65.44 2wdk n ILE 4 Cb 0.46 -2.29 0.05 0.00 -0.71 0.00 0.00 39.64 37.16 2wdk n ILE 4 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 2wdk n ALA 5 N -1.50 -0.82 -0.39 -1.39 0.00 -1.24 -4.87 120.51 110.29 2wdk n ALA 5 Ca 0.00 -0.26 -0.09 0.00 0.00 0.00 0.00 53.44 53.08 2wdk n ALA 5 Cb 0.00 -0.02 -0.08 0.00 0.00 0.00 0.00 19.45 19.35 2wdk n ALA 5 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2wdk n GLY 6 N -0.46 -2.40 2.76 0.00 0.00 -1.26 -3.58 105.19 100.25 2wdk n GLY 6 Ca 0.02 1.12 -0.01 0.00 0.00 0.00 0.00 46.02 47.16 2wdk n GLY 6 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 2wdk n VAL 7 N -5.22 0.90 -4.18 1.61 0.31 -1.26 -5.09 118.33 105.39 2wdk n VAL 7 Ca 0.03 -2.35 -0.34 0.00 -0.01 0.00 0.00 64.34 61.67 2wdk n VAL 7 Cb 0.27 1.22 -0.15 0.00 -0.91 0.00 0.00 33.84 34.26 2wdk n VAL 7 CO 0.00 0.00 0.00 -1.61 -1.32 0.00 0.00 176.83 173.90 2wdk s GLU 8 N -2.66 3.21 -0.42 5.55 2.02 -1.23 -5.04 118.70 120.13 2wdk s GLU 8 Ca 0.22 -0.73 0.04 0.00 0.02 0.00 0.00 54.97 54.52 2wdk s GLU 8 Cb 0.35 -2.75 0.11 0.00 0.10 0.00 0.00 34.13 31.95 2wdk s GLU 8 CO -0.07 -0.12 0.15 0.42 0.02 0.00 0.00 175.26 175.65 2wdk s ILE 9 N 1.19 2.33 1.42 -1.63 1.09 -1.26 -1.48 121.20 122.86 2wdk s ILE 9 Ca 0.02 -2.73 -0.23 0.00 -1.10 0.00 0.00 60.65 56.61 2wdk s ILE 9 Cb -0.14 -2.68 0.36 0.00 -1.06 0.00 0.00 42.46 38.95 2wdk s ILE 9 CO -0.05 -0.70 0.94 -2.16 -0.10 0.00 0.00 174.94 172.88 2wdk s PRO 10 N 0.41 -2.90 0.26 2.79 0.04 -1.26 -4.94 135.00 129.39 2wdk s PRO 10 Ca 0.14 0.07 -0.20 0.00 0.04 0.00 0.00 61.00 61.04 2wdk s PRO 10 Cb -0.22 -1.39 0.06 0.00 0.04 0.00 0.00 34.50 32.99 2wdk s PRO 10 CO -0.05 -4.84 0.89 1.03 0.04 0.00 0.00 177.00 174.07 2wdk s ARG 11 N -5.15 1.66 0.00 4.56 0.52 -1.26 -4.75 118.95 114.53 2wdk s ARG 11 Ca 0.69 -1.02 0.00 0.00 -0.52 0.00 0.00 55.73 54.88 2wdk s ARG 11 Cb -0.12 0.50 0.00 0.00 0.52 0.00 0.00 34.95 35.85 2wdk s ARG 11 CO 0.57 -0.77 0.00 -1.71 0.02 0.00 0.00 175.30 173.41 2wdk n ASN 12 N -1.00 0.00 -2.39 0.23 2.85 -1.26 -4.74 115.26 108.95 2wdk n ASN 12 Ca -0.06 0.00 -0.12 0.00 -0.11 0.00 0.00 54.58 54.29 2wdk n ASN 12 Cb 0.60 0.00 -0.05 0.00 1.24 0.00 0.00 39.78 41.57 2wdk n ASN 12 CO 0.00 0.00 0.00 0.29 -2.11 0.00 0.00 177.26 175.44 2wdk n LYS 13 N 0.00 0.31 -2.34 1.20 5.02 -1.26 -4.91 118.16 116.18 2wdk n LYS 13 Ca 0.00 -1.97 -0.42 0.00 -2.02 0.00 0.00 58.31 53.90 2wdk n LYS 13 Cb 0.00 1.53 -0.03 0.00 -0.02 0.00 0.00 35.03 36.51 2wdk n LYS 13 CO 0.00 0.00 0.00 -0.98 -0.52 0.00 0.00 177.40 175.90 2wdk s ARG 14 N -2.81 4.39 0.57 1.97 1.70 -1.24 -0.40 118.95 123.12 2wdk s ARG 14 Ca 0.22 1.87 0.45 0.00 -0.47 0.00 0.00 55.73 57.79 2wdk s ARG 14 Cb 0.01 -3.35 1.56 0.00 -0.57 0.00 0.00 34.95 32.60 2wdk s ARG 14 CO 0.15 -0.34 1.52 -0.39 -1.08 0.00 0.00 175.30 175.17 2wdk h VAL 15 N 4.49 0.02 -0.38 4.99 -1.51 -1.60 -1.97 116.25 120.29 2wdk h VAL 15 Ca -0.41 0.00 -0.13 0.00 -1.23 0.00 0.00 66.70 64.93 2wdk h VAL 15 Cb 1.21 0.02 -0.01 0.00 -2.13 0.00 0.00 31.29 30.38 2wdk h VAL 15 CO 0.84 0.00 -0.25 -2.24 -1.23 0.00 0.00 177.57 174.69 2wdk h ASP 16 N 0.00 0.88 1.16 4.19 -0.00 -1.90 -3.05 116.42 117.71 2wdk h ASP 16 Ca 0.83 -0.43 0.00 0.00 -0.00 0.00 0.00 57.03 57.43 2wdk h ASP 16 Cb 3.54 -0.25 0.00 0.00 -0.00 0.00 0.00 39.33 42.62 2wdk h ASP 16 CO -0.01 1.12 -0.10 0.52 -0.00 0.00 0.00 179.24 180.77 2wdk n VAL 17 N -4.20 0.30 0.02 4.15 0.31 -0.75 -3.78 118.33 114.39 2wdk n VAL 17 Ca -0.02 -0.16 -0.12 0.00 -0.01 0.00 0.00 64.34 64.04 2wdk n VAL 17 Cb 0.46 -0.44 -0.06 0.00 -0.91 0.00 0.00 33.84 32.88 2wdk n VAL 17 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2wdk h ALA 18 N 2.74 0.04 0.00 3.52 0.00 -1.49 -1.18 119.26 122.89 2wdk h ALA 18 Ca 0.00 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.89 2wdk h ALA 18 Cb 0.63 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.41 2wdk h ALA 18 CO 0.00 -0.45 -0.02 -0.07 0.00 0.00 0.00 179.25 178.71 2wdk h LEU 19 N 0.03 0.00 -0.55 0.00 -0.00 -1.66 -0.51 115.31 112.62 2wdk h LEU 19 Ca 0.01 0.00 0.05 0.00 -0.00 0.00 0.00 57.88 57.94 2wdk h LEU 19 Cb 0.02 0.00 -0.05 0.00 -0.00 0.00 0.00 40.66 40.63 2wdk h LEU 19 CO -0.00 0.02 0.29 0.74 -0.00 0.00 0.00 178.44 179.49 2wdk h THR 20 N 0.00 0.97 0.00 0.22 2.02 -1.37 0.01 112.91 114.75 2wdk h THR 20 Ca -0.00 -0.19 0.00 0.00 0.77 0.00 0.00 66.41 66.99 2wdk h THR 20 Cb 0.07 0.36 0.00 0.00 -1.74 0.00 0.00 68.15 66.84 2wdk h THR 20 CO 0.00 0.10 0.00 -1.22 0.37 0.00 0.00 175.52 174.77 2wdk n TYR 21 N -4.85 0.00 -4.63 3.16 0.53 -0.20 -4.61 117.16 106.57 2wdk n TYR 21 Ca 0.05 -0.23 -0.23 0.00 -1.02 0.00 0.00 57.90 56.48 2wdk n TYR 21 Cb 0.14 -0.17 -0.15 0.00 -1.03 0.00 0.00 39.34 38.13 2wdk n TYR 21 CO 0.00 0.00 0.00 0.42 -1.02 0.00 0.00 176.86 176.26 2wdk s ILE 22 N 0.43 1.20 -0.34 -0.72 1.01 -0.01 -4.91 121.20 117.87 2wdk s ILE 22 Ca 0.00 -0.75 -0.29 0.00 0.00 0.00 0.00 60.65 59.61 2wdk s ILE 22 Cb 0.00 -1.02 0.01 0.00 0.01 0.00 0.00 42.46 41.46 2wdk s ILE 22 CO 0.00 0.26 1.26 -0.47 0.00 0.00 0.00 174.94 175.99 2wdk s TYR 23 N -0.48 2.74 0.00 3.97 6.14 -1.26 -2.46 117.35 126.00 2wdk s TYR 23 Ca 0.05 0.88 0.00 0.00 0.64 0.00 0.00 57.07 58.64 2wdk s TYR 23 Cb -0.06 -3.98 0.00 0.00 0.42 0.00 0.00 41.96 38.33 2wdk s TYR 23 CO -0.00 -1.54 0.00 0.41 0.64 0.00 0.00 175.55 175.06 2wdk n GLY 24 N 4.39 1.07 2.86 8.97 0.00 -1.26 -1.81 105.19 119.41 2wdk n GLY 24 Ca 0.14 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.90 2wdk n GLY 24 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2wdk s ILE 25 N -2.00 0.85 0.05 -0.61 1.09 -1.03 -4.98 121.20 114.57 2wdk s ILE 25 Ca 0.00 -0.26 0.00 0.00 -1.10 0.00 0.00 60.65 59.30 2wdk s ILE 25 Cb 0.00 -0.96 0.00 0.00 -1.06 0.00 0.00 42.46 40.45 2wdk s ILE 25 CO 0.00 0.27 0.03 0.61 -0.10 0.00 0.00 174.94 175.75 2wdk n GLY 26 N 4.99 3.09 0.37 6.18 0.00 -1.26 -4.27 105.19 114.29 2wdk n GLY 26 Ca -0.11 -2.18 0.12 0.00 0.00 0.00 0.00 46.02 43.85 2wdk n GLY 26 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 2wdk h LYS 27 N 0.00 0.73 0.00 1.61 1.63 -1.96 -2.50 116.57 116.09 2wdk h LYS 27 Ca -0.03 -0.04 0.00 0.00 -0.85 0.00 0.00 60.65 59.72 2wdk h LYS 27 Cb 0.12 -0.17 0.00 0.00 -0.60 0.00 0.00 32.23 31.58 2wdk h LYS 27 CO 0.05 0.49 0.00 0.00 -3.45 0.00 0.00 179.45 176.54 2wdk n ALA 28 N -2.37 0.00 0.00 5.00 0.00 -1.26 -1.80 120.51 120.08 2wdk n ALA 28 Ca 0.21 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.65 2wdk n ALA 28 Cb 0.53 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.98 2wdk n ALA 28 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2wdk n ARG 29 N -0.37 0.00 -0.01 0.00 1.74 -1.22 -0.95 116.66 115.86 2wdk n ARG 29 Ca 0.00 0.16 -0.00 0.00 -0.77 0.00 0.00 57.85 57.24 2wdk n ARG 29 Cb 0.00 -1.85 -0.00 0.00 -1.02 0.00 0.00 32.46 29.59 2wdk n ARG 29 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2wdk h ALA 30 N 0.62 0.00 0.00 7.54 0.00 -1.29 -2.48 119.26 123.64 2wdk h ALA 30 Ca 0.00 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.87 2wdk h ALA 30 Cb 0.69 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.49 2wdk h ALA 30 CO 0.00 0.01 0.00 1.63 0.00 0.00 0.00 179.25 180.89 2wdk n LYS 31 N -2.33 0.50 -0.07 0.00 5.02 -0.15 -2.92 118.16 118.20 2wdk n LYS 31 Ca -0.00 0.00 -0.11 0.00 -2.02 0.00 0.00 58.31 56.18 2wdk n LYS 31 Cb 0.00 -1.08 -0.04 0.00 -0.02 0.00 0.00 35.03 33.90 2wdk n LYS 31 CO 0.00 0.00 0.00 -1.91 -0.52 0.00 0.00 177.40 174.97 2wdk n GLU 32 N -0.58 0.40 0.00 1.97 0.00 -0.13 -4.53 120.64 117.77 2wdk n GLU 32 Ca 0.02 0.16 0.06 0.00 0.00 0.00 0.00 57.16 57.41 2wdk n GLU 32 Cb 0.01 -1.19 0.33 0.00 0.00 0.00 0.00 31.44 30.58 2wdk n GLU 32 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 2wdk n ALA 33 N -4.12 1.79 0.09 4.31 0.00 -0.93 -2.12 120.51 119.53 2wdk n ALA 33 Ca -0.19 -0.06 0.06 0.00 0.00 0.00 0.00 53.44 53.25 2wdk n ALA 33 Cb 0.50 -1.20 -0.01 0.00 0.00 0.00 0.00 19.45 18.73 2wdk n ALA 33 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 2wdk h LEU 34 N 0.00 0.00 0.09 0.00 3.38 -1.77 -3.12 115.31 113.90 2wdk h LEU 34 Ca 0.00 0.00 -0.28 0.00 0.09 0.00 0.00 57.88 57.69 2wdk h LEU 34 Cb 0.09 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.83 2wdk h LEU 34 CO 0.00 0.28 -1.38 1.05 0.09 0.00 0.00 178.44 178.48 2wdk h GLU 35 N 0.00 0.19 0.00 1.13 4.11 -1.66 -1.44 114.58 116.91 2wdk h GLU 35 Ca -0.06 -0.33 0.00 0.00 0.07 0.00 0.00 59.36 59.04 2wdk h GLU 35 Cb 1.27 0.12 0.00 0.00 0.50 0.00 0.00 28.75 30.64 2wdk h GLU 35 CO 0.03 1.07 0.00 1.63 0.07 0.00 0.00 179.01 181.80 2wdk n LYS 36 N -3.42 0.27 -0.03 1.06 4.76 -1.22 -3.20 118.16 116.38 2wdk n LYS 36 Ca -0.12 0.05 -0.02 0.00 -2.87 0.00 0.00 58.31 55.35 2wdk n LYS 36 Cb 1.02 -1.50 -0.07 0.00 -1.84 0.00 0.00 35.03 32.64 2wdk n LYS 36 CO 0.00 0.00 0.00 0.25 -1.37 0.00 0.00 177.40 176.28 2wdk n THR 37 N -1.35 0.40 -1.55 -0.18 -2.24 -1.18 -5.04 114.28 103.16 2wdk n THR 37 Ca 0.11 -0.31 -0.00 0.00 -2.27 0.00 0.00 64.05 61.57 2wdk n THR 37 Cb 0.23 -0.47 0.00 0.00 -2.10 0.00 0.00 70.33 68.00 2wdk n THR 37 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2wdk n GLY 38 N 2.34 0.73 2.66 3.38 0.00 -0.58 -4.92 105.19 108.82 2wdk n GLY 38 Ca -0.10 -0.25 -0.23 0.00 0.00 0.00 0.00 46.02 45.45 2wdk n GLY 38 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2wdk s ILE 39 N -3.01 -0.04 -0.42 -0.61 1.01 -1.01 -5.07 121.20 112.06 2wdk s ILE 39 Ca 0.01 0.17 -0.35 0.00 0.00 0.00 0.00 60.65 60.48 2wdk s ILE 39 Cb -0.00 -0.36 -0.13 0.00 0.01 0.00 0.00 42.46 41.99 2wdk s ILE 39 CO 0.02 0.02 2.24 -3.20 0.00 0.00 0.00 174.94 174.02 2wdk n ASN 40 N 5.27 1.84 -0.25 3.58 5.15 -1.26 -4.77 115.26 124.81 2wdk n ASN 40 Ca -0.05 0.37 0.04 0.00 -0.60 0.00 0.00 54.58 54.34 2wdk n ASN 40 Cb 0.50 -1.21 0.17 0.00 -0.53 0.00 0.00 39.78 38.70 2wdk n ASN 40 CO 0.00 0.00 0.00 -0.65 1.40 0.00 0.00 177.26 178.01 2wdk h PRO 41 N 12.41 0.50 0.00 1.20 0.11 -1.98 -1.93 132.00 142.31 2wdk h PRO 41 Ca -0.23 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.85 2wdk h PRO 41 Cb 1.33 -0.11 0.00 0.00 0.11 0.00 0.00 31.00 32.33 2wdk h PRO 41 CO 1.06 0.33 0.15 0.00 -0.21 0.00 0.00 178.00 179.34 2wdk n ALA 42 N -2.46 0.66 -1.00 -0.75 0.00 -1.26 -3.54 120.51 112.16 2wdk n ALA 42 Ca 0.13 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.57 2wdk n ALA 42 Cb 0.36 -0.58 0.00 0.00 0.00 0.00 0.00 19.45 19.23 2wdk n ALA 42 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 2wdk n THR 43 N -1.15 0.00 -4.34 0.00 -2.24 -0.73 -4.88 114.28 100.94 2wdk n THR 43 Ca 0.00 0.00 -0.21 0.00 -2.27 0.00 0.00 64.05 61.57 2wdk n THR 43 Cb 0.15 -0.85 -0.13 0.00 -2.10 0.00 0.00 70.33 67.40 2wdk n THR 43 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 2wdk s ARG 44 N -0.18 0.98 0.29 -0.78 1.81 -1.26 -3.54 118.95 116.27 2wdk s ARG 44 Ca 0.00 -0.86 0.10 0.00 -1.72 0.00 0.00 55.73 53.25 2wdk s ARG 44 Cb 0.00 -1.03 0.42 0.00 -0.45 0.00 0.00 34.95 33.89 2wdk s ARG 44 CO 0.00 0.25 1.65 0.28 -0.68 0.00 0.00 175.30 176.80 2wdk h VAL 45 N 4.40 1.39 0.00 3.52 2.07 -1.05 -3.19 116.25 123.39 2wdk h VAL 45 Ca -0.40 -1.88 0.00 0.00 0.82 0.00 0.00 66.70 65.24 2wdk h VAL 45 Cb 1.18 2.00 0.00 0.00 -1.52 0.00 0.00 31.29 32.95 2wdk h VAL 45 CO 0.43 0.54 0.00 2.29 0.02 0.00 0.00 177.57 180.85 2wdk n LYS 46 N -3.89 0.00 0.00 1.57 2.85 -1.26 -4.51 118.16 112.92 2wdk n LYS 46 Ca -0.02 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.24 2wdk n LYS 46 Cb 0.56 -0.98 0.00 0.00 -0.65 0.00 0.00 35.03 33.96 2wdk n LYS 46 CO 0.00 0.00 0.00 -0.40 -0.05 0.00 0.00 177.40 176.95 2wdk n ASP 47 N 0.12 0.00 0.00 -5.58 5.68 -1.21 -5.12 116.55 110.44 2wdk n ASP 47 Ca 0.00 0.00 0.00 0.00 -0.50 0.00 0.00 54.79 54.29 2wdk n ASP 47 Cb 0.00 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 39.98 2wdk n ASP 47 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 2wdk n LEU 48 N 0.00 0.00 -4.50 -2.12 -0.00 -1.26 -4.70 117.00 104.42 2wdk n LEU 48 Ca 0.00 0.00 -0.37 0.00 -0.00 0.00 0.00 56.01 55.64 2wdk n LEU 48 Cb 0.00 0.00 0.06 0.00 -0.00 0.00 0.00 43.42 43.48 2wdk n LEU 48 CO 0.00 0.00 0.17 0.41 -0.00 0.00 0.00 177.39 177.97 2wdk n THR 49 N -0.21 2.39 0.22 1.47 -1.04 -1.26 -4.81 114.28 111.05 2wdk n THR 49 Ca 0.00 -0.46 0.10 0.00 -2.04 0.00 0.00 64.05 61.65 2wdk n THR 49 Cb 0.00 -0.81 0.45 0.00 -1.82 0.00 0.00 70.33 68.15 2wdk n THR 49 CO 0.00 0.00 0.00 -0.33 -0.64 0.00 0.00 175.07 174.10 2wdk h GLU 50 N 0.01 0.00 -0.04 -2.82 4.39 -2.01 -1.93 114.58 112.18 2wdk h GLU 50 Ca -0.46 0.00 -0.04 0.00 0.34 0.00 0.00 59.36 59.20 2wdk h GLU 50 Cb 1.37 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 30.02 2wdk h GLU 50 CO 0.46 0.23 -0.14 0.00 -1.16 0.00 0.00 179.01 178.40 2wdk h ALA 51 N 1.77 0.07 -0.21 3.43 0.00 -1.98 -1.92 119.26 120.42 2wdk h ALA 51 Ca -0.00 -0.37 0.05 0.00 0.00 0.00 0.00 54.91 54.59 2wdk h ALA 51 Cb 0.75 -0.01 -0.07 0.00 0.00 0.00 0.00 17.79 18.46 2wdk h ALA 51 CO 0.03 -0.02 -0.43 0.93 0.00 0.00 0.00 179.25 179.77 2wdk h GLU 52 N -0.41 -0.43 -0.64 0.00 5.08 -1.78 1.41 114.58 117.81 2wdk h GLU 52 Ca -0.01 0.03 0.11 0.00 -1.00 0.00 0.00 59.36 58.49 2wdk h GLU 52 Cb 0.77 0.10 -0.12 0.00 0.50 0.00 0.00 28.75 30.00 2wdk h GLU 52 CO 0.03 -0.29 -0.37 0.28 -1.00 0.00 0.00 179.01 177.66 2wdk h VAL 53 N -0.45 0.13 0.00 3.13 2.07 -1.38 1.07 116.25 120.81 2wdk h VAL 53 Ca 0.09 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.61 2wdk h VAL 53 Cb 0.62 0.13 0.00 0.00 -1.52 0.00 0.00 31.29 30.51 2wdk h VAL 53 CO -0.45 0.00 0.00 0.52 0.02 0.00 0.00 177.57 177.66 2wdk n VAL 54 N -5.43 0.00 -0.58 2.57 0.31 0.47 0.18 118.33 115.85 2wdk n VAL 54 Ca 0.04 1.32 0.46 0.00 -0.01 0.00 0.00 64.34 66.16 2wdk n VAL 54 Cb 0.36 -2.31 0.77 0.00 -0.91 0.00 0.00 33.84 31.75 2wdk n VAL 54 CO 0.00 0.00 0.00 -0.09 -1.32 0.00 0.00 176.83 175.42 2wdk h ARG 55 N 0.00 0.02 0.13 5.55 2.43 0.20 3.53 114.38 126.24 2wdk h ARG 55 Ca 0.00 -0.00 -0.01 0.00 -0.81 0.00 0.00 59.98 59.16 2wdk h ARG 55 Cb 0.00 -0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.55 2wdk h ARG 55 CO 0.00 0.01 -0.06 1.25 -1.51 0.00 0.00 179.97 179.66 2wdk h LEU 56 N 0.02 -0.15 -2.08 3.80 7.12 0.15 -2.33 115.31 121.85 2wdk h LEU 56 Ca 0.86 0.01 0.10 0.00 0.13 0.00 0.00 57.88 58.97 2wdk h LEU 56 Cb 3.24 0.04 -0.01 0.00 -0.53 0.00 0.00 40.66 43.40 2wdk h LEU 56 CO -0.13 0.01 0.29 -0.09 -0.13 0.00 0.00 178.44 178.39 2wdk h ARG 57 N -0.40 0.00 0.37 1.25 2.43 0.54 0.79 114.38 119.36 2wdk h ARG 57 Ca -0.02 0.00 -0.02 0.00 -0.81 0.00 0.00 59.98 59.14 2wdk h ARG 57 Cb 0.13 0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 29.68 2wdk h ARG 57 CO 0.03 0.00 -0.24 0.93 -1.51 0.00 0.00 179.97 179.18 2wdk h GLU 58 N 0.00 -0.56 0.30 0.20 4.39 0.64 0.24 114.58 119.79 2wdk h GLU 58 Ca 0.16 0.04 -0.01 0.00 0.34 0.00 0.00 59.36 59.89 2wdk h GLU 58 Cb 0.73 0.13 -0.02 0.00 -0.10 0.00 0.00 28.75 29.48 2wdk h GLU 58 CO -0.00 -0.37 -0.38 -0.92 -1.16 0.00 0.00 179.01 176.18 2wdk h TYR 59 N -0.58 -1.07 0.00 4.33 3.20 -0.75 -2.07 116.97 120.03 2wdk h TYR 59 Ca -0.05 0.01 0.00 0.00 3.14 0.00 0.00 58.73 61.83 2wdk h TYR 59 Cb 0.47 0.43 0.00 0.00 1.54 0.00 0.00 36.73 39.17 2wdk h TYR 59 CO -0.03 -0.48 0.00 0.28 -1.64 0.00 0.00 178.16 176.29 2wdk n VAL 60 N -4.68 0.00 0.29 1.81 0.31 0.19 0.18 118.33 116.43 2wdk n VAL 60 Ca -0.08 1.45 0.18 0.00 -0.01 0.00 0.00 64.34 65.88 2wdk n VAL 60 Cb 0.33 -2.01 0.79 0.00 -0.91 0.00 0.00 33.84 32.05 2wdk n VAL 60 CO 0.00 0.00 0.00 -0.08 -1.32 0.00 0.00 176.83 175.43 2wdk h GLU 61 N 0.00 0.00 0.00 5.55 4.81 -0.61 -3.27 114.58 121.06 2wdk h GLU 61 Ca 0.00 0.00 -0.36 0.00 -0.13 0.00 0.00 59.36 58.87 2wdk h GLU 61 Cb 0.00 0.00 -0.07 0.00 0.63 0.00 0.00 28.75 29.31 2wdk h GLU 61 CO 0.00 0.03 -2.37 0.09 -0.73 0.00 0.00 179.01 176.03 2wdk n ASN 62 N -3.17 1.65 0.02 1.04 4.13 -0.78 -4.67 115.26 113.48 2wdk n ASN 62 Ca -0.00 -0.10 -0.03 0.00 1.68 0.00 0.00 54.58 56.12 2wdk n ASN 62 Cb 0.26 -0.05 -0.02 0.00 -1.54 0.00 0.00 39.78 38.43 2wdk n ASN 62 CO 0.00 0.00 0.00 0.74 0.28 0.00 0.00 177.26 178.28 2wdk h THR 63 N 0.00 0.00 -3.21 3.41 2.02 0.19 -3.47 112.91 111.85 2wdk h THR 63 Ca -0.54 0.00 0.00 0.00 0.77 0.00 0.00 66.41 66.64 2wdk h THR 63 Cb 1.93 0.00 0.00 0.00 -1.74 0.00 0.00 68.15 68.34 2wdk h THR 63 CO -0.06 0.00 0.00 -2.67 0.37 0.00 0.00 175.52 173.16 2wdk n TRP 64 N -3.05 0.00 -4.44 3.16 2.14 -1.24 -5.09 117.44 108.92 2wdk n TRP 64 Ca -0.02 0.00 -0.21 0.00 2.07 0.00 0.00 57.50 59.34 2wdk n TRP 64 Cb 0.08 0.00 -0.10 0.00 -0.81 0.00 0.00 31.31 30.48 2wdk n TRP 64 CO 0.00 0.00 0.00 0.21 2.07 0.00 0.00 177.69 179.97 2wdk s LYS 65 N -1.47 1.60 0.00 -2.67 2.20 -1.26 -4.76 119.74 113.37 2wdk s LYS 65 Ca 0.00 -1.85 0.00 0.00 -0.36 0.00 0.00 55.97 53.76 2wdk s LYS 65 Cb 0.00 -0.98 0.00 0.00 -1.51 0.00 0.00 37.83 35.34 2wdk s LYS 65 CO 0.00 -0.09 0.00 1.28 -0.36 0.00 0.00 175.35 176.18 2wdk n LEU 66 N -0.63 0.00 -1.52 5.43 4.77 0.33 -4.84 117.00 120.53 2wdk n LEU 66 Ca -0.04 0.00 -0.22 0.00 -0.03 0.00 0.00 56.01 55.73 2wdk n LEU 66 Cb 0.65 0.00 -0.04 0.00 -2.33 0.00 0.00 43.42 41.70 2wdk n LEU 66 CO 0.41 0.00 0.50 1.21 -1.33 0.00 0.00 177.39 178.18 2wdk n GLU 67 N 0.00 0.00 0.00 3.23 4.07 -0.75 -2.13 120.64 125.06 2wdk n GLU 67 Ca 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 57.10 2wdk n GLU 67 Cb 0.00 -0.51 0.00 0.00 -0.06 0.00 0.00 31.44 30.87 2wdk n GLU 67 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 2wdk n GLY 68 N 2.00 1.18 2.90 8.31 0.00 -1.26 -4.71 105.19 113.61 2wdk n GLY 68 Ca 0.15 0.38 -0.29 0.00 0.00 0.00 0.00 46.02 46.26 2wdk n GLY 68 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2wdk s GLU 69 N 0.00 1.45 0.00 1.61 2.56 -0.90 0.22 118.70 123.64 2wdk s GLU 69 Ca 0.00 -0.66 0.00 0.00 0.00 0.00 0.00 54.97 54.31 2wdk s GLU 69 Cb 0.00 -2.22 0.00 0.00 2.00 0.00 0.00 34.13 33.91 2wdk s GLU 69 CO 0.00 -0.50 0.00 -0.11 -0.56 0.00 0.00 175.26 174.09 2wdk n LEU 70 N 4.82 0.00 0.33 2.70 0.00 -1.20 0.12 117.00 123.78 2wdk n LEU 70 Ca -0.12 0.00 0.14 0.00 0.00 0.00 0.00 56.01 56.04 2wdk n LEU 70 Cb 0.47 0.00 0.77 0.00 0.00 0.00 0.00 43.42 44.66 2wdk n LEU 70 CO 0.17 0.00 1.11 -0.09 0.00 0.00 0.00 177.39 178.57 2wdk h ARG 71 N 0.00 0.00 0.00 1.96 2.43 0.25 1.89 114.38 120.91 2wdk h ARG 71 Ca 0.00 0.00 -0.05 0.00 -0.81 0.00 0.00 59.98 59.12 2wdk h ARG 71 Cb 0.00 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 29.54 2wdk h ARG 71 CO 0.00 0.00 -0.57 0.00 -1.51 0.00 0.00 179.97 177.89 2wdk h ALA 72 N 1.29 0.75 0.05 2.80 0.00 -0.14 -3.14 119.26 120.86 2wdk h ALA 72 Ca 0.00 -0.23 -0.36 0.00 0.00 0.00 0.00 54.91 54.32 2wdk h ALA 72 Cb 0.71 0.02 -0.05 0.00 0.00 0.00 0.00 17.79 18.47 2wdk h ALA 72 CO 0.00 0.29 -2.13 -1.91 0.00 0.00 0.00 179.25 175.50 2wdk n GLU 73 N -3.00 0.69 0.30 0.00 2.13 0.58 -3.05 120.64 118.30 2wdk n GLU 73 Ca 0.01 0.20 0.17 0.00 0.66 0.00 0.00 57.16 58.19 2wdk n GLU 73 Cb 0.63 -1.65 0.97 0.00 0.27 0.00 0.00 31.44 31.66 2wdk n GLU 73 CO 0.00 0.00 0.00 0.28 -0.41 0.00 0.00 177.13 177.00 2wdk h VAL 74 N 0.03 0.39 0.00 6.31 2.07 0.14 1.60 116.25 126.79 2wdk h VAL 74 Ca -0.46 -0.07 0.00 0.00 0.82 0.00 0.00 66.70 66.99 2wdk h VAL 74 Cb 2.03 1.05 0.00 0.00 -1.52 0.00 0.00 31.29 32.85 2wdk h VAL 74 CO 0.03 0.01 -0.74 0.00 0.02 0.00 0.00 177.57 176.89 2wdk h ALA 75 N 1.99 0.60 0.13 1.67 0.00 -1.66 -3.30 119.26 118.69 2wdk h ALA 75 Ca -0.00 0.00 -0.17 0.00 0.00 0.00 0.00 54.91 54.74 2wdk h ALA 75 Cb 0.05 0.00 0.02 0.00 0.00 0.00 0.00 17.79 17.86 2wdk h ALA 75 CO 0.00 0.00 -0.75 0.00 0.00 0.00 0.00 179.25 178.51 2wdk h ALA 76 N 2.14 -0.08 -0.29 0.00 0.00 0.21 -1.22 119.26 120.02 2wdk h ALA 76 Ca 0.00 -0.68 0.08 0.00 0.00 0.00 0.00 54.91 54.31 2wdk h ALA 76 Cb 0.93 0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.80 2wdk h ALA 76 CO 0.00 0.35 0.22 -0.91 0.00 0.00 0.00 179.25 178.90 2wdk h ASN 77 N -0.43 0.00 1.34 0.00 2.35 -0.10 0.59 115.58 119.33 2wdk h ASN 77 Ca -0.13 0.00 -0.13 0.00 -0.55 0.00 0.00 56.30 55.49 2wdk h ASN 77 Cb 1.59 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 39.94 2wdk h ASN 77 CO 0.14 0.00 -0.67 0.40 -1.65 0.00 0.00 177.43 175.64 2wdk h ILE 78 N 0.00 0.97 -0.19 2.81 2.04 -1.62 -2.95 117.51 118.57 2wdk h ILE 78 Ca 0.14 -2.40 0.00 0.00 1.00 0.00 0.00 64.86 63.60 2wdk h ILE 78 Cb 0.57 2.46 -0.01 0.00 -0.74 0.00 0.00 36.82 39.10 2wdk h ILE 78 CO -0.00 0.55 0.12 0.11 0.00 0.00 0.00 178.15 178.93 2wdk h LYS 79 N 0.00 0.25 -0.42 2.37 1.57 0.14 -2.71 116.57 117.77 2wdk h LYS 79 Ca -0.02 -0.02 0.08 0.00 -1.87 0.00 0.00 60.65 58.81 2wdk h LYS 79 Cb 1.47 -0.06 -0.07 0.00 0.08 0.00 0.00 32.23 33.66 2wdk h LYS 79 CO 0.07 0.19 0.03 -0.09 -0.57 0.00 0.00 179.45 179.08 2wdk h ARG 80 N 0.24 0.14 -0.03 3.15 2.43 -1.15 -1.35 114.38 117.81 2wdk h ARG 80 Ca 0.07 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.23 2wdk h ARG 80 Cb -0.00 -0.03 0.00 0.00 -0.42 0.00 0.00 29.97 29.51 2wdk h ARG 80 CO -0.01 0.09 0.00 1.28 -1.51 0.00 0.00 179.97 179.82 2wdk n LEU 81 N -5.17 0.03 -1.31 3.80 4.77 -1.02 -0.14 117.00 117.95 2wdk n LEU 81 Ca 0.03 -0.01 0.08 0.00 -0.03 0.00 0.00 56.01 56.08 2wdk n LEU 81 Cb 0.22 -0.01 0.31 0.00 -2.33 0.00 0.00 43.42 41.60 2wdk n LEU 81 CO 0.20 0.01 0.77 1.15 -1.33 0.00 0.00 177.39 178.18 2wdk n MET 82 N -0.18 3.56 0.00 3.23 0.00 -0.51 -4.25 117.12 118.97 2wdk n MET 82 Ca 0.00 -2.78 0.00 0.00 0.00 0.00 0.00 57.70 54.92 2wdk n MET 82 Cb 0.01 -1.83 0.00 0.00 0.00 0.00 0.00 33.22 31.40 2wdk n MET 82 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 175.97 175.57 2wdk n ASP 83 N 0.58 0.00 0.21 3.17 3.85 0.80 -4.57 116.55 120.58 2wdk n ASP 83 Ca 0.23 0.00 0.14 0.00 -0.71 0.00 0.00 54.79 54.45 2wdk n ASP 83 Cb 0.86 0.00 0.72 0.00 -1.35 0.00 0.00 41.12 41.34 2wdk n ASP 83 CO 0.00 0.00 0.00 0.40 -1.01 0.00 0.00 177.20 176.59 2wdk h ILE 84 N 0.00 0.00 0.00 2.12 1.08 -1.90 -3.45 117.51 115.35 2wdk h ILE 84 Ca 0.00 -0.10 0.00 0.00 -0.39 0.00 0.00 64.86 64.37 2wdk h ILE 84 Cb 0.00 0.80 0.00 0.00 -3.07 0.00 0.00 36.82 34.55 2wdk h ILE 84 CO 0.00 0.00 0.00 0.61 -0.69 0.00 0.00 178.15 178.07 2wdk n GLY 85 N -0.83 0.75 3.41 5.37 0.00 -1.26 -5.08 105.19 107.54 2wdk n GLY 85 Ca -0.01 -0.57 -0.33 0.00 0.00 0.00 0.00 46.02 45.10 2wdk n GLY 85 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2wdk h TYR 87 N -1.39 1.15 0.00 0.00 3.20 -1.96 1.53 116.97 119.49 2wdk h TYR 87 Ca -0.44 0.03 -0.04 0.00 3.14 0.00 0.00 58.73 61.43 2wdk h TYR 87 Cb 1.29 -0.37 -0.01 0.00 1.54 0.00 0.00 36.73 39.19 2wdk h TYR 87 CO 0.38 0.48 -0.18 -0.09 -1.64 0.00 0.00 178.16 177.11 2wdk h ARG 88 N 1.02 0.00 0.75 1.82 2.43 -1.92 -2.92 114.38 115.57 2wdk h ARG 88 Ca 0.48 0.00 -0.04 0.00 -0.81 0.00 0.00 59.98 59.62 2wdk h ARG 88 Cb 0.42 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.97 2wdk h ARG 88 CO -0.25 0.18 -0.41 0.78 -1.51 0.00 0.00 179.97 178.77 2wdk h GLY 89 N 1.27 -1.19 0.00 2.80 0.00 0.20 -3.39 103.07 102.76 2wdk h GLY 89 Ca -0.00 0.46 0.00 0.00 0.00 0.00 0.00 47.33 47.79 2wdk h GLY 89 CO 0.02 -0.42 0.00 1.04 0.00 0.00 0.00 176.54 177.19 2wdk n LEU 90 N -5.05 0.00 0.00 3.11 4.77 -0.72 -2.30 117.00 116.81 2wdk n LEU 90 Ca -0.13 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.85 2wdk n LEU 90 Cb 0.44 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.53 2wdk n LEU 90 CO 0.31 -0.30 0.00 0.54 -1.33 0.00 0.00 177.39 176.61 2wdk n ARG 91 N 0.00 0.00 -0.00 3.23 5.12 -1.26 -3.80 116.66 119.95 2wdk n ARG 91 Ca 0.00 0.00 -0.04 0.00 -1.93 0.00 0.00 57.85 55.88 2wdk n ARG 91 Cb 0.00 -2.95 -0.01 0.00 -1.16 0.00 0.00 32.46 28.34 2wdk n ARG 91 CO 0.00 0.00 0.00 0.72 -1.93 0.00 0.00 177.63 176.42 2wdk n HIS 92 N -1.24 0.00 -0.28 -1.55 8.25 -1.18 0.25 115.22 119.49 2wdk n HIS 92 Ca 0.00 0.00 0.09 0.00 -0.26 0.00 0.00 57.72 57.55 2wdk n HIS 92 Cb 0.00 -0.19 0.23 0.00 1.12 0.00 0.00 29.99 31.15 2wdk n HIS 92 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2wdk h ARG 93 N -0.33 0.21 -1.85 -0.41 -0.00 -1.56 -0.04 114.38 110.40 2wdk h ARG 93 Ca -0.03 -0.01 -0.64 0.00 -0.50 0.00 0.00 59.98 58.80 2wdk h ARG 93 Cb 0.44 -0.05 -0.38 0.00 0.00 0.00 0.00 29.97 29.98 2wdk h ARG 93 CO -0.02 0.14 -0.21 0.54 0.00 0.00 0.00 179.97 180.42 2wdk n ARG 94 N -5.22 3.44 -0.19 0.04 3.00 -1.26 -5.04 116.66 111.43 2wdk n ARG 94 Ca 0.18 -4.42 0.00 0.00 -0.01 0.00 0.00 57.85 53.60 2wdk n ARG 94 Cb 0.57 -2.27 0.00 0.00 0.00 0.00 0.00 32.46 30.76 2wdk n ARG 94 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 2wdk n GLY 95 N -0.40 0.00 3.64 -0.13 0.00 -0.03 -4.47 105.19 103.80 2wdk n GLY 95 Ca 0.41 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 46.34 2wdk n GLY 95 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2wdk s LEU 96 N 0.00 0.23 -0.14 0.99 1.43 0.71 -4.75 118.68 117.14 2wdk s LEU 96 Ca 0.00 -0.90 -0.25 0.00 -1.03 0.00 0.00 54.13 51.95 2wdk s LEU 96 Cb 0.00 1.98 -0.02 0.00 0.03 0.00 0.00 46.19 48.18 2wdk s LEU 96 CO 0.00 -1.21 0.80 -2.16 0.23 0.00 0.00 176.35 174.01 2wdk s PRO 97 N -3.90 4.33 -0.98 1.29 0.04 -1.26 -4.46 135.00 130.06 2wdk s PRO 97 Ca 0.20 0.98 -0.00 0.00 0.04 0.00 0.00 61.00 62.22 2wdk s PRO 97 Cb -0.02 -3.54 0.32 0.00 0.04 0.00 0.00 34.50 31.30 2wdk s PRO 97 CO 0.09 -0.23 1.73 0.28 0.04 0.00 0.00 177.00 178.91 2wdk n VAL 98 N 4.51 5.81 -2.78 -0.36 0.31 -1.26 -4.61 118.33 119.95 2wdk n VAL 98 Ca 0.03 -5.95 -0.02 0.00 -0.01 0.00 0.00 64.34 58.39 2wdk n VAL 98 Cb 0.49 -1.54 0.05 0.00 -0.91 0.00 0.00 33.84 31.94 2wdk n VAL 98 CO 0.00 0.00 0.00 0.54 -1.32 0.00 0.00 176.83 176.05 2wdk n ARG 99 N -0.07 1.55 -2.86 5.55 1.74 -1.26 -4.95 116.66 116.36 2wdk n ARG 99 Ca 0.45 -3.20 -0.03 0.00 -0.77 0.00 0.00 57.85 54.30 2wdk n ARG 99 Cb 0.27 -1.30 -0.02 0.00 -1.02 0.00 0.00 32.46 30.39 2wdk n ARG 99 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2wdk n GLY 100 N -0.56 -2.50 1.34 -0.13 0.00 -1.26 -5.06 105.19 97.02 2wdk n GLY 100 Ca 0.05 0.86 -0.06 0.00 0.00 0.00 0.00 46.02 46.86 2wdk n GLY 100 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2wdk n GLN 101 N 2.11 0.27 -1.13 1.61 6.02 -1.26 -5.06 117.38 119.94 2wdk n GLN 101 Ca -0.20 -1.15 -0.35 0.00 -0.01 0.00 0.00 57.00 55.29 2wdk n GLN 101 Cb 0.32 1.08 -0.03 0.00 1.02 0.00 0.00 30.24 32.63 2wdk n GLN 101 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.06 176.59 2wdk n ARG 102 N -0.23 2.23 0.00 -1.09 5.12 -1.26 -4.66 116.66 116.76 2wdk n ARG 102 Ca 0.01 -1.89 0.01 0.00 -1.93 0.00 0.00 57.85 54.05 2wdk n ARG 102 Cb 0.24 -2.81 0.06 0.00 -1.16 0.00 0.00 32.46 28.79 2wdk n ARG 102 CO 0.00 0.00 0.00 0.25 -1.93 0.00 0.00 177.63 175.95 2wdk n THR 103 N 4.91 0.00 -0.05 0.55 -2.24 -1.26 -1.26 114.28 114.93 2wdk n THR 103 Ca 0.52 0.00 -0.04 0.00 -2.27 0.00 0.00 64.05 62.26 2wdk n THR 103 Cb 0.28 -0.41 -0.15 0.00 -2.10 0.00 0.00 70.33 67.96 2wdk n THR 103 CO 0.00 0.00 0.00 -1.14 -0.57 0.00 0.00 175.07 173.36 2wdk n ARG 104 N -0.58 0.67 0.00 -0.78 0.63 -1.26 -4.88 116.66 110.45 2wdk n ARG 104 Ca 0.01 0.03 0.00 0.00 -0.92 0.00 0.00 57.85 56.97 2wdk n ARG 104 Cb 0.01 -1.60 0.00 0.00 0.45 0.00 0.00 32.46 31.31 2wdk n ARG 104 CO 0.00 0.00 0.00 0.25 -2.51 0.00 0.00 177.63 175.37 2wdk n THR 105 N -2.71 0.00 -1.19 5.15 -2.24 -0.38 -5.11 114.28 107.79 2wdk n THR 105 Ca -0.21 0.00 -0.04 0.00 -2.27 0.00 0.00 64.05 61.52 2wdk n THR 105 Cb 0.98 -0.46 0.03 0.00 -2.10 0.00 0.00 70.33 68.78 2wdk n THR 105 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 2wdk n ASN 106 N -0.99 0.02 0.00 3.42 4.13 -1.07 -4.83 115.26 115.95 2wdk n ASN 106 Ca 0.00 -1.08 0.00 0.00 1.68 0.00 0.00 54.58 55.18 2wdk n ASN 106 Cb 0.00 -0.15 0.00 0.00 -1.54 0.00 0.00 39.78 38.09 2wdk n ASN 106 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 2wdk n ALA 107 N -3.12 0.00 0.01 5.41 0.00 -1.26 -4.28 120.51 117.27 2wdk n ALA 107 Ca -0.03 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.41 2wdk n ALA 107 Cb 0.09 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.54 2wdk n ALA 107 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2wdk n ARG 108 N -0.03 0.01 -0.13 0.00 3.00 -1.26 -1.95 116.66 116.30 2wdk n ARG 108 Ca 0.00 0.00 -0.27 0.00 -0.01 0.00 0.00 57.85 57.57 2wdk n ARG 108 Cb 0.00 -1.00 -0.10 0.00 0.00 0.00 0.00 32.46 31.36 2wdk n ARG 108 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.63 180.04 2wdk n THR 109 N -0.17 1.53 -0.75 0.55 -1.04 -1.26 -4.30 114.28 108.83 2wdk n THR 109 Ca 0.00 -0.29 0.07 0.00 -2.04 0.00 0.00 64.05 61.80 2wdk n THR 109 Cb 0.00 -1.93 0.38 0.00 -1.82 0.00 0.00 70.33 66.96 2wdk n THR 109 CO 0.00 0.00 0.00 0.54 -0.64 0.00 0.00 175.07 174.97 2wdk n ARG 110 N -4.30 4.47 -4.01 -2.82 1.74 -0.97 -4.93 116.66 105.84 2wdk n ARG 110 Ca -0.48 -2.99 -0.12 0.00 -0.77 0.00 0.00 57.85 53.49 2wdk n ARG 110 Cb 0.83 -2.14 -0.03 0.00 -1.02 0.00 0.00 32.46 30.09 2wdk n ARG 110 CO 0.00 0.00 0.00 0.21 -1.52 0.00 0.00 177.63 176.32 2wdk s LYS 111 N -2.45 1.85 3.49 5.56 2.20 -0.82 -4.04 119.74 125.52 2wdk s LYS 111 Ca 0.52 -1.53 0.00 0.00 -0.36 0.00 0.00 55.97 54.60 2wdk s LYS 111 Cb 0.38 0.49 0.00 0.00 -1.51 0.00 0.00 37.83 37.19 2wdk s LYS 111 CO 0.18 -0.79 0.00 0.41 -0.36 0.00 0.00 175.35 174.79 2wdk n GLY 112 N -0.50 0.99 3.38 5.54 0.00 -1.26 -4.47 105.19 108.87 2wdk n GLY 112 Ca -0.02 -0.71 -0.33 0.00 0.00 0.00 0.00 46.02 44.97 2wdk n GLY 112 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 2wdk n PRO 113 N 0.00 -0.60 -1.58 1.61 -0.02 -1.26 -5.03 135.00 128.12 2wdk n PRO 113 Ca 0.00 -0.14 -0.45 0.00 -2.02 0.00 0.00 63.50 60.89 2wdk n PRO 113 Cb 0.00 -1.81 -0.02 0.00 -0.02 0.00 0.00 33.50 31.65 2wdk n PRO 113 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 2wdk n ARG 114 N -1.74 1.26 -0.13 -0.52 1.74 -1.26 -4.92 116.66 111.09 2wdk n ARG 114 Ca 0.05 0.44 0.08 0.00 -0.77 0.00 0.00 57.85 57.65 2wdk n ARG 114 Cb 0.56 -1.80 0.14 0.00 -1.02 0.00 0.00 32.46 30.34 2wdk n ARG 114 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 2wdk n LYS 115 N 0.84 2.01 0.00 5.56 4.01 -1.26 -5.05 118.16 124.28 2wdk n LYS 115 Ca 0.11 -1.87 0.00 0.00 -0.51 0.00 0.00 58.31 56.04 2wdk n LYS 115 Cb 0.31 -1.35 0.00 0.00 -0.51 0.00 0.00 35.03 33.48 2wdk n LYS 115 CO 0.00 0.00 0.00 2.41 -1.11 0.00 0.00 177.40 178.70 2wdk n THR 116 N 0.92 0.00 -0.95 -0.18 -1.04 -1.26 -4.95 114.28 106.82 2wdk n THR 116 Ca 0.13 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.14 2wdk n THR 116 Cb 0.45 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 68.96 2wdk n THR 116 CO 0.00 0.00 0.00 0.52 -0.64 0.00 0.00 175.07 174.95 2wdk n VAL 117 N 0.00 -2.07 -0.19 12.58 0.31 -1.26 -5.10 118.33 122.59 2wdk n VAL 117 Ca 0.00 0.98 0.00 0.00 -0.01 0.00 0.00 64.34 65.31 2wdk n VAL 117 Cb 0.00 -1.56 0.00 0.00 -0.91 0.00 0.00 33.84 31.37 2wdk n VAL 117 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2wdk n ALA 118 N -1.96 0.00 -0.16 3.52 0.00 -1.26 -5.10 120.51 115.55 2wdk n ALA 118 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 2wdk n ALA 118 Cb 0.24 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.69 2wdk n ALA 118 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2wdk n GLY 119 N -0.07 0.16 3.59 0.00 0.00 -1.26 -5.11 105.19 102.50 2wdk n GLY 119 Ca 0.00 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.58 2wdk n GLY 119 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2wdk n LYS 120 N 0.00 1.95 -4.18 1.61 4.76 -1.26 -4.95 118.16 116.09 2wdk n LYS 120 Ca 0.00 0.56 -0.16 0.00 -2.87 0.00 0.00 58.31 55.84 2wdk n LYS 120 Cb 0.00 -3.10 -0.11 0.00 -1.84 0.00 0.00 35.03 29.98 2wdk n LYS 120 CO 0.00 0.00 0.00 0.15 -1.37 0.00 0.00 177.40 176.18 2wdk s LYS 121 N 6.09 0.86 0.49 1.97 1.02 -1.26 -5.17 119.74 123.74 2wdk s LYS 121 Ca 1.01 -1.09 0.07 0.00 0.02 0.00 0.00 55.97 55.97 2wdk s LYS 121 Cb -0.42 -0.69 0.01 0.00 -0.52 0.00 0.00 37.83 36.21 2wdk s LYS 121 CO 0.38 0.13 0.40 0.15 -0.92 0.00 0.00 175.35 175.49 2wdk s LYS 122 N -2.38 2.35 -0.10 1.68 1.02 -1.26 -5.13 119.74 115.91 2wdk s LYS 122 Ca 0.03 -1.82 -0.02 0.00 0.02 0.00 0.00 55.97 54.19 2wdk s LYS 122 Cb -0.06 -2.21 -0.03 0.00 -0.52 0.00 0.00 37.83 35.01 2wdk s LYS 122 CO 0.01 -0.44 -0.02 0.00 -0.92 0.00 0.00 175.35 173.99 2wdk s ALA 123 N -2.65 3.17 -0.74 5.17 0.00 -1.26 -5.01 121.76 120.45 2wdk s ALA 123 Ca 0.41 -0.82 0.26 0.00 0.00 0.00 0.00 51.96 51.81 2wdk s ALA 123 Cb -0.02 -1.47 0.65 0.00 0.00 0.00 0.00 23.12 22.28 2wdk s ALA 123 CO 0.25 0.48 1.59 -0.35 0.00 0.00 0.00 175.76 177.73 2wdk n PRO 124 N 2.53 0.23 -1.92 0.00 -0.04 -1.26 -4.87 135.00 129.66 2wdk n PRO 124 Ca -0.18 0.13 -0.30 0.00 -0.04 0.00 0.00 63.50 63.11 2wdk n PRO 124 Cb 0.53 -1.71 0.17 0.00 -0.04 0.00 0.00 33.50 32.45 2wdk n PRO 124 CO 0.00 0.00 0.00 1.03 -0.04 0.00 0.00 175.50 176.49 2wdk s ARG 125 N -3.11 0.90 0.00 0.54 0.52 -1.26 -5.40 118.95 111.14 2wdk s ARG 125 Ca 0.09 -0.30 0.00 0.00 -0.52 0.00 0.00 55.73 55.00 2wdk s ARG 125 Cb 0.14 -1.87 0.00 0.00 0.52 0.00 0.00 34.95 33.74 2wdk s ARG 125 CO 0.64 -2.25 0.00 1.17 0.02 0.00 0.00 175.30 174.88