#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2w4d s ILE 3 N 0.00 4.88 0.25 0.00 -1.09 -1.26 -1.54 121.20 122.44 2w4d s ILE 3 Ca 0.00 1.84 0.07 0.00 -2.23 0.00 0.00 60.65 60.33 2w4d s ILE 3 Cb 0.00 -4.22 -0.05 0.00 -1.58 0.00 0.00 42.46 36.60 2w4d s ILE 3 CO 0.00 0.10 -0.08 0.68 -1.23 0.00 0.00 174.94 174.41 2w4d s VAL 4 N 1.53 1.59 -0.07 2.92 -7.23 0.72 -4.84 120.40 115.02 2w4d s VAL 4 Ca 0.45 -2.14 0.01 0.00 -1.81 0.00 0.00 61.98 58.49 2w4d s VAL 4 Cb -0.19 -2.30 0.02 0.00 0.56 0.00 0.00 36.38 34.47 2w4d s VAL 4 CO 0.20 -0.40 -0.07 -0.60 -0.31 0.00 0.00 175.10 173.92 2w4d s ARG 5 N -3.72 1.21 -0.07 4.82 3.52 -1.24 -1.74 118.95 121.73 2w4d s ARG 5 Ca 0.27 -0.20 0.04 0.00 -0.13 0.00 0.00 55.73 55.71 2w4d s ARG 5 Cb 0.03 -1.18 -0.00 0.00 -1.56 0.00 0.00 34.95 32.23 2w4d s ARG 5 CO 0.10 -0.12 -0.20 0.00 -0.81 0.00 0.00 175.30 174.27 2w4d s ALA 6 N 1.14 1.84 -0.29 6.12 0.00 0.85 -1.51 121.76 129.91 2w4d s ALA 6 Ca -0.07 -0.81 -0.08 0.00 0.00 0.00 0.00 51.96 51.00 2w4d s ALA 6 Cb -0.14 -0.66 -0.00 0.00 0.00 0.00 0.00 23.12 22.31 2w4d s ALA 6 CO -0.01 0.28 0.10 -1.58 0.00 0.00 0.00 175.76 174.55 2w4d s HIS 7 N 0.23 3.15 0.15 0.00 2.46 0.32 -0.75 115.29 120.84 2w4d s HIS 7 Ca -0.11 -0.74 0.05 0.00 0.47 0.00 0.00 55.06 54.73 2w4d s HIS 7 Cb -0.15 -2.29 -0.04 0.00 -0.13 0.00 0.00 32.58 29.97 2w4d s HIS 7 CO 0.05 -0.50 0.08 -0.51 -2.47 0.00 0.00 174.74 171.39 2w4d s LEU 8 N 1.56 3.64 -0.16 8.88 1.43 0.96 -1.35 118.68 133.64 2w4d s LEU 8 Ca 0.04 -0.19 -0.04 0.00 -1.03 0.00 0.00 54.13 52.92 2w4d s LEU 8 Cb -0.17 -2.28 0.05 0.00 0.03 0.00 0.00 46.19 43.83 2w4d s LEU 8 CO 0.04 0.10 0.06 -0.54 0.23 0.00 0.00 176.35 176.24 2w4d s LYS 9 N -2.88 0.35 -0.16 1.70 1.02 -0.41 -1.94 119.74 117.42 2w4d s LYS 9 Ca 0.29 -0.17 -0.05 0.00 0.02 0.00 0.00 55.97 56.07 2w4d s LYS 9 Cb -0.10 -1.76 -0.03 0.00 -0.52 0.00 0.00 37.83 35.42 2w4d s LYS 9 CO 0.21 -0.60 -0.01 0.42 -0.92 0.00 0.00 175.35 174.45 2w4d s ILE 10 N 2.01 4.11 0.27 2.17 1.01 0.68 -1.00 121.20 130.44 2w4d s ILE 10 Ca 0.01 -0.28 0.12 0.00 0.00 0.00 0.00 60.65 60.50 2w4d s ILE 10 Cb -0.16 -2.81 -0.05 0.00 0.01 0.00 0.00 42.46 39.45 2w4d s ILE 10 CO -0.08 0.48 -0.18 -0.31 0.00 0.00 0.00 174.94 174.86 2w4d s TYR 11 N 0.37 2.34 -0.46 3.97 1.51 -0.23 -1.15 117.35 123.71 2w4d s TYR 11 Ca -0.02 -0.32 0.00 0.00 -1.01 0.00 0.00 57.07 55.72 2w4d s TYR 11 Cb -0.14 -1.03 0.00 0.00 -0.11 0.00 0.00 41.96 40.69 2w4d s TYR 11 CO 0.02 0.69 0.00 0.41 -1.11 0.00 0.00 175.55 175.56 2w4d n GLY 12 N -0.57 0.22 3.41 0.71 0.00 -1.26 -1.02 105.19 106.68 2w4d n GLY 12 Ca -0.06 -1.87 -0.45 0.00 0.00 0.00 0.00 46.02 43.65 2w4d n GLY 12 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2w4d s ARG 13 N -0.35 3.87 0.00 1.61 6.06 0.30 -4.71 118.95 125.73 2w4d s ARG 13 Ca 0.00 -2.42 0.02 0.00 -2.50 0.00 0.00 55.73 50.83 2w4d s ARG 13 Cb 0.00 -4.81 -0.00 0.00 0.06 0.00 0.00 34.95 30.20 2w4d s ARG 13 CO 0.00 -1.59 0.33 1.33 -2.50 0.00 0.00 175.30 172.87 2w4d n VAL 14 N 4.42 0.00 -4.31 7.11 0.24 -1.26 -0.91 118.33 123.61 2w4d n VAL 14 Ca 0.26 -0.48 -0.29 0.00 -2.04 0.00 0.00 64.34 61.79 2w4d n VAL 14 Cb 0.45 1.02 -0.11 0.00 -1.47 0.00 0.00 33.84 33.73 2w4d n VAL 14 CO 0.00 0.00 0.00 -1.10 -2.14 0.00 0.00 176.83 173.59 2w4d s GLN 15 N -0.62 1.78 -0.79 7.34 -0.21 -1.26 -4.54 119.66 121.36 2w4d s GLN 15 Ca 0.01 -1.23 0.00 0.00 0.02 0.00 0.00 55.36 54.16 2w4d s GLN 15 Cb 0.01 -2.09 0.00 0.00 1.00 0.00 0.00 33.01 31.94 2w4d s GLN 15 CO 0.04 0.47 0.00 0.41 -2.12 0.00 0.00 175.29 174.09 2w4d n GLY 16 N 0.65 0.49 0.09 3.09 0.00 -1.26 -4.88 105.19 103.36 2w4d n GLY 16 Ca -0.15 -0.60 0.02 0.00 0.00 0.00 0.00 46.02 45.29 2w4d n GLY 16 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 2w4d n VAL 17 N -3.43 0.63 -2.09 1.61 0.24 -1.26 -4.99 118.33 109.04 2w4d n VAL 17 Ca -0.09 -0.69 -0.05 0.00 -2.04 0.00 0.00 64.34 61.47 2w4d n VAL 17 Cb 0.43 0.56 -0.00 0.00 -1.47 0.00 0.00 33.84 33.36 2w4d n VAL 17 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2w4d n GLY 18 N -0.39 0.16 0.08 7.63 0.00 -1.26 -4.72 105.19 106.69 2w4d n GLY 18 Ca 0.03 -0.67 -0.12 0.00 0.00 0.00 0.00 46.02 45.25 2w4d n GLY 18 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 2w4d h PHE 19 N 0.00 0.14 -0.13 1.61 3.04 -1.95 -2.13 116.94 117.52 2w4d h PHE 19 Ca -0.12 -0.03 0.02 0.00 3.98 0.00 0.00 57.97 61.82 2w4d h PHE 19 Cb 1.08 -0.04 -0.02 0.00 2.56 0.00 0.00 35.95 39.54 2w4d h PHE 19 CO 0.14 0.41 0.01 0.00 -2.02 0.00 0.00 178.31 176.86 2w4d h ARG 20 N -0.18 0.06 -0.65 1.11 3.08 -1.93 0.39 114.38 116.27 2w4d h ARG 20 Ca 0.02 -0.00 -0.00 0.00 0.07 0.00 0.00 59.98 60.06 2w4d h ARG 20 Cb 0.36 -0.01 -0.03 0.00 0.08 0.00 0.00 29.97 30.36 2w4d h ARG 20 CO 0.00 0.04 0.39 2.35 -1.07 0.00 0.00 179.97 181.68 2w4d h TRP 21 N 0.07 0.86 -0.70 3.04 7.01 -1.98 -2.03 115.95 122.22 2w4d h TRP 21 Ca 0.06 -0.01 -0.07 0.00 2.11 0.00 0.00 58.89 60.99 2w4d h TRP 21 Cb 0.06 -0.28 -0.03 0.00 -2.10 0.00 0.00 29.16 26.81 2w4d h TRP 21 CO -0.13 0.59 0.17 0.77 -2.79 0.00 0.00 178.44 177.05 2w4d h SER 22 N 0.88 1.06 -0.23 2.65 0.02 -1.05 -1.36 113.55 115.53 2w4d h SER 22 Ca 0.23 -0.23 -0.12 0.00 -0.84 0.00 0.00 61.79 60.83 2w4d h SER 22 Cb -0.02 -0.28 -0.01 0.00 0.14 0.00 0.00 62.40 62.23 2w4d h SER 22 CO -0.04 1.02 -0.27 -0.03 -1.14 0.00 0.00 176.83 176.37 2w4d h MET 23 N 1.05 0.71 -0.32 3.45 1.85 -0.73 -0.29 114.93 120.65 2w4d h MET 23 Ca 0.22 -0.30 -0.03 0.00 -0.61 0.00 0.00 59.70 58.98 2w4d h MET 23 Cb 0.37 -0.03 -0.01 0.00 0.43 0.00 0.00 31.60 32.36 2w4d h MET 23 CO 0.00 0.90 0.09 0.37 -0.40 0.00 0.00 176.91 177.87 2w4d h GLN 24 N 0.62 0.51 0.09 0.39 4.15 -1.14 0.28 115.11 120.00 2w4d h GLN 24 Ca 0.08 -0.12 0.01 0.00 0.77 0.00 0.00 58.65 59.39 2w4d h GLN 24 Cb 0.77 -0.07 -0.02 0.00 0.21 0.00 0.00 27.48 28.37 2w4d h GLN 24 CO 0.06 0.56 -0.14 -0.09 -1.93 0.00 0.00 178.83 177.29 2w4d h ARG 25 N 0.36 -0.28 -0.80 1.69 1.12 -1.03 -1.01 114.38 114.44 2w4d h ARG 25 Ca 0.10 0.02 -0.02 0.00 -1.11 0.00 0.00 59.98 58.97 2w4d h ARG 25 Cb 0.28 0.06 -0.04 0.00 -0.01 0.00 0.00 29.97 30.26 2w4d h ARG 25 CO -0.00 -0.19 0.43 1.49 -3.11 0.00 0.00 179.97 178.59 2w4d h GLU 26 N -0.29 1.11 -0.28 0.20 4.57 -0.91 -2.26 114.58 116.72 2w4d h GLU 26 Ca 0.02 -0.13 -0.01 0.00 -1.18 0.00 0.00 59.36 58.07 2w4d h GLU 26 Cb 0.30 -0.22 -0.01 0.00 -0.16 0.00 0.00 28.75 28.66 2w4d h GLU 26 CO -0.08 0.82 0.15 0.00 -1.18 0.00 0.00 179.01 178.72 2w4d h ALA 27 N 1.36 0.36 -0.73 2.92 0.00 -0.01 -1.62 119.26 121.55 2w4d h ALA 27 Ca 0.28 -0.07 -0.01 0.00 0.00 0.00 0.00 54.91 55.11 2w4d h ALA 27 Cb 0.04 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 17.68 2w4d h ALA 27 CO -0.04 -0.10 0.43 0.00 0.00 0.00 0.00 179.25 179.53 2w4d h ARG 28 N 0.34 0.99 -0.61 0.00 3.08 -0.96 0.51 114.38 117.73 2w4d h ARG 28 Ca 0.10 -0.10 -0.00 0.00 0.07 0.00 0.00 59.98 60.05 2w4d h ARG 28 Cb 0.08 -0.20 -0.03 0.00 0.08 0.00 0.00 29.97 29.89 2w4d h ARG 28 CO -0.02 0.71 0.37 -0.22 -1.07 0.00 0.00 179.97 179.75 2w4d h LYS 29 N 1.00 0.82 0.00 0.04 3.64 -1.20 -2.57 116.57 118.30 2w4d h LYS 29 Ca 0.26 -0.07 0.00 0.00 -1.27 0.00 0.00 60.65 59.57 2w4d h LYS 29 Cb -0.02 -0.17 0.00 0.00 -0.41 0.00 0.00 32.23 31.63 2w4d h LYS 29 CO -0.05 0.59 -0.20 -0.07 -2.27 0.00 0.00 179.45 177.45 2w4d h LEU 30 N 0.82 0.00 -0.40 5.20 3.38 -0.96 -3.48 115.31 119.88 2w4d h LEU 30 Ca 0.22 -0.04 0.00 0.00 0.09 0.00 0.00 57.88 58.15 2w4d h LEU 30 Cb -0.03 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.72 2w4d h LEU 30 CO -0.04 0.02 0.00 0.61 0.09 0.00 0.00 178.44 179.12 2w4d n GLY 31 N 1.23 0.75 3.87 0.83 0.00 0.15 -4.88 105.19 107.15 2w4d n GLY 31 Ca 0.04 -0.70 -0.36 0.00 0.00 0.00 0.00 46.02 45.00 2w4d n GLY 31 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2w4d s VAL 32 N -2.40 5.34 0.25 1.61 1.01 0.55 -4.82 120.40 121.93 2w4d s VAL 32 Ca 0.00 0.32 0.06 0.00 0.00 0.00 0.00 61.98 62.36 2w4d s VAL 32 Cb 0.00 -3.52 -0.03 0.00 0.00 0.00 0.00 36.38 32.83 2w4d s VAL 32 CO 0.00 0.53 0.27 0.20 0.00 0.00 0.00 175.10 176.09 2w4d s ASN 33 N -1.27 5.86 0.00 3.32 0.01 0.09 -4.24 114.94 118.72 2w4d s ASN 33 Ca 0.21 -0.11 0.00 0.00 -0.71 0.00 0.00 52.86 52.25 2w4d s ASN 33 Cb -0.13 -1.60 0.00 0.00 0.41 0.00 0.00 41.25 39.93 2w4d s ASN 33 CO 0.10 -0.05 0.00 0.61 -1.51 0.00 0.00 177.10 176.25 2w4d n GLY 34 N -1.28 0.68 3.47 0.66 0.00 -0.48 -0.25 105.19 107.99 2w4d n GLY 34 Ca -0.08 -1.80 -0.09 0.00 0.00 0.00 0.00 46.02 44.04 2w4d n GLY 34 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 173.32 173.98 2w4d s TRP 35 N -2.68 0.28 0.00 1.61 1.48 -0.82 -1.05 118.94 117.76 2w4d s TRP 35 Ca 0.00 -0.64 -0.08 0.00 -1.06 0.00 0.00 56.10 54.33 2w4d s TRP 35 Cb 0.00 0.13 0.00 0.00 -1.16 0.00 0.00 33.47 32.44 2w4d s TRP 35 CO 0.00 -0.87 0.15 0.54 -4.06 0.00 0.00 176.95 172.71 2w4d s VAL 36 N -3.97 0.08 -0.00 -0.66 0.11 -0.79 -0.74 120.40 114.44 2w4d s VAL 36 Ca 0.18 -0.69 -0.28 0.00 -2.93 0.00 0.00 61.98 58.26 2w4d s VAL 36 Cb 0.01 -0.46 0.10 0.00 -1.53 0.00 0.00 36.38 34.50 2w4d s VAL 36 CO 0.03 -0.38 0.82 0.00 -3.33 0.00 0.00 175.10 172.24 2w4d s ARG 37 N -1.42 0.91 0.13 1.54 1.70 0.10 -1.53 118.95 120.38 2w4d s ARG 37 Ca -0.14 -0.19 -0.21 0.00 -0.47 0.00 0.00 55.73 54.72 2w4d s ARG 37 Cb -0.07 0.42 -0.07 0.00 -0.57 0.00 0.00 34.95 34.66 2w4d s ARG 37 CO 0.02 -0.37 0.66 -0.80 -1.08 0.00 0.00 175.30 173.72 2w4d s ASN 38 N -2.14 7.15 0.15 -2.89 0.02 -1.26 -0.66 114.94 115.31 2w4d s ASN 38 Ca 0.01 1.40 0.06 0.00 -1.02 0.00 0.00 52.86 53.31 2w4d s ASN 38 Cb -0.01 -2.41 -0.04 0.00 0.02 0.00 0.00 41.25 38.81 2w4d s ASN 38 CO -0.06 0.21 0.02 -0.76 0.02 0.00 0.00 177.10 176.53 2w4d s LEU 39 N -1.31 3.42 0.59 0.60 1.43 -0.29 -4.92 118.68 118.21 2w4d s LEU 39 Ca 0.34 -0.30 0.40 0.00 -1.03 0.00 0.00 54.13 53.54 2w4d s LEU 39 Cb -0.20 -2.09 2.16 0.00 0.03 0.00 0.00 46.19 46.09 2w4d s LEU 39 CO 0.22 0.11 2.22 1.55 0.23 0.00 0.00 176.35 180.68 2w4d h PRO 40 N 2.86 0.00 -0.17 1.29 0.13 -1.98 -1.11 132.00 133.01 2w4d h PRO 40 Ca -0.47 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.66 2w4d h PRO 40 Cb 1.19 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.32 2w4d h PRO 40 CO 0.59 0.00 0.00 -0.40 -0.23 0.00 0.00 178.00 177.96 2w4d n ASP 41 N -2.91 0.97 0.00 1.44 3.85 -1.26 -4.88 116.55 113.76 2w4d n ASP 41 Ca -0.03 -1.95 0.00 0.00 -0.71 0.00 0.00 54.79 52.11 2w4d n ASP 41 Cb 0.07 -0.11 0.00 0.00 -1.35 0.00 0.00 41.12 39.72 2w4d n ASP 41 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 2w4d n GLY 42 N 0.81 1.13 4.01 6.12 0.00 -0.42 -5.05 105.19 111.79 2w4d n GLY 42 Ca 0.07 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.88 2w4d n GLY 42 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2w4d s SER 43 N -3.08 4.84 -0.03 1.61 1.04 -1.25 -4.54 113.70 112.28 2w4d s SER 43 Ca 0.00 -0.50 0.07 0.00 0.48 0.00 0.00 55.95 56.01 2w4d s SER 43 Cb 0.00 -0.06 -0.02 0.00 0.10 0.00 0.00 66.02 66.04 2w4d s SER 43 CO 0.00 -1.50 -0.25 -0.69 0.98 0.00 0.00 173.24 171.78 2w4d s VAL 44 N -2.86 2.13 -0.01 5.02 1.01 -0.30 -1.14 120.40 124.25 2w4d s VAL 44 Ca 0.63 -1.07 0.08 0.00 0.00 0.00 0.00 61.98 61.61 2w4d s VAL 44 Cb -0.06 -1.74 -0.02 0.00 0.00 0.00 0.00 36.38 34.55 2w4d s VAL 44 CO 0.41 0.58 -0.25 -0.70 0.00 0.00 0.00 175.10 175.14 2w4d s GLU 45 N -0.54 1.98 0.07 2.72 2.12 0.16 -0.23 118.70 124.98 2w4d s GLU 45 Ca 0.08 -0.91 -0.17 0.00 0.36 0.00 0.00 54.97 54.33 2w4d s GLU 45 Cb -0.11 -1.94 0.03 0.00 0.26 0.00 0.00 34.13 32.37 2w4d s GLU 45 CO -0.00 0.53 0.39 0.00 -0.54 0.00 0.00 175.26 175.64 2w4d s ALA 46 N -0.61 -0.93 -0.11 6.30 0.00 -0.82 -0.73 121.76 124.86 2w4d s ALA 46 Ca 0.10 0.15 0.02 0.00 0.00 0.00 0.00 51.96 52.23 2w4d s ALA 46 Cb -0.10 0.45 0.01 0.00 0.00 0.00 0.00 23.12 23.48 2w4d s ALA 46 CO -0.01 -0.51 -0.16 0.08 0.00 0.00 0.00 175.76 175.16 2w4d s VAL 47 N -2.90 1.59 -0.10 0.00 1.01 0.08 -0.03 120.40 120.06 2w4d s VAL 47 Ca -0.03 -0.70 0.04 0.00 0.00 0.00 0.00 61.98 61.29 2w4d s VAL 47 Cb 0.00 -1.45 -0.00 0.00 0.00 0.00 0.00 36.38 34.93 2w4d s VAL 47 CO -0.05 0.46 -0.24 -0.76 0.00 0.00 0.00 175.10 174.51 2w4d s LEU 48 N 0.95 2.08 -0.02 3.92 1.43 0.07 -1.95 118.68 125.16 2w4d s LEU 48 Ca -0.07 -0.55 -0.01 0.00 -1.03 0.00 0.00 54.13 52.47 2w4d s LEU 48 Cb -0.15 -1.40 0.02 0.00 0.03 0.00 0.00 46.19 44.69 2w4d s LEU 48 CO -0.02 0.16 0.04 -0.70 0.23 0.00 0.00 176.35 176.06 2w4d s GLU 49 N 0.31 0.01 0.00 1.70 2.12 0.65 -0.10 118.70 123.38 2w4d s GLU 49 Ca -0.18 0.12 0.00 0.00 0.36 0.00 0.00 54.97 55.27 2w4d s GLU 49 Cb -0.18 -0.10 0.00 0.00 0.26 0.00 0.00 34.13 34.11 2w4d s GLU 49 CO 0.09 -0.08 0.00 0.41 -0.54 0.00 0.00 175.26 175.13 2w4d n GLY 50 N 3.59 -0.17 3.72 -1.50 0.00 -0.71 -0.73 105.19 109.40 2w4d n GLY 50 Ca -0.19 -1.20 -0.42 0.00 0.00 0.00 0.00 46.02 44.21 2w4d n GLY 50 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2w4d s ASP 51 N -4.00 6.63 0.40 1.61 -0.00 -1.26 -0.20 116.67 119.85 2w4d s ASP 51 Ca 0.00 2.59 0.17 0.00 -0.00 0.00 0.00 52.55 55.31 2w4d s ASP 51 Cb 0.00 -2.60 1.07 0.00 -0.00 0.00 0.00 42.92 41.39 2w4d s ASP 51 CO 0.00 -0.78 1.80 1.05 -0.00 0.00 0.00 175.17 177.24 2w4d h GLU 52 N 6.43 0.42 -0.69 8.23 4.11 -1.62 0.23 114.58 131.68 2w4d h GLU 52 Ca -0.43 -0.03 -0.04 0.00 0.07 0.00 0.00 59.36 58.93 2w4d h GLU 52 Cb 1.21 -0.09 -0.03 0.00 0.50 0.00 0.00 28.75 30.33 2w4d h GLU 52 CO 0.88 0.28 0.28 0.93 0.07 0.00 0.00 179.01 181.44 2w4d h GLU 53 N 0.43 1.03 -0.23 1.06 5.08 -1.90 -0.50 114.58 119.55 2w4d h GLU 53 Ca 0.55 -0.19 -0.15 0.00 -1.00 0.00 0.00 59.36 58.57 2w4d h GLU 53 Cb 1.35 -0.17 0.00 0.00 0.50 0.00 0.00 28.75 30.44 2w4d h GLU 53 CO -0.26 0.85 -0.45 0.00 -1.00 0.00 0.00 179.01 178.16 2w4d h ARG 54 N 0.98 0.71 -0.38 2.33 2.47 -0.97 -2.39 114.38 117.13 2w4d h ARG 54 Ca 0.23 -0.46 -0.03 0.00 -1.26 0.00 0.00 59.98 58.46 2w4d h ARG 54 Cb 0.21 0.06 -0.02 0.00 -1.65 0.00 0.00 29.97 28.57 2w4d h ARG 54 CO -0.02 1.08 0.10 0.28 0.56 0.00 0.00 179.97 181.97 2w4d h VAL 55 N 0.43 1.22 -0.70 2.04 2.07 -0.99 -2.09 116.25 118.23 2w4d h VAL 55 Ca 0.01 -0.74 -0.03 0.00 0.82 0.00 0.00 66.70 66.76 2w4d h VAL 55 Cb 1.05 0.98 -0.03 0.00 -1.52 0.00 0.00 31.29 31.77 2w4d h VAL 55 CO 0.10 0.26 0.32 -0.33 0.02 0.00 0.00 177.57 177.93 2w4d h GLU 56 N 0.47 1.01 -0.74 1.57 5.08 -1.13 -0.18 114.58 120.66 2w4d h GLU 56 Ca 0.12 -0.15 -0.02 0.00 -1.00 0.00 0.00 59.36 58.31 2w4d h GLU 56 Cb 0.29 -0.18 -0.03 0.00 0.50 0.00 0.00 28.75 29.32 2w4d h GLU 56 CO -0.00 0.79 0.39 0.00 -1.00 0.00 0.00 179.01 179.19 2w4d h ALA 57 N 1.35 0.95 -0.25 3.43 0.00 -1.16 -0.46 119.26 123.11 2w4d h ALA 57 Ca 0.24 -0.13 -0.15 0.00 0.00 0.00 0.00 54.91 54.87 2w4d h ALA 57 Cb 0.13 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.62 2w4d h ALA 57 CO -0.03 0.48 -0.45 1.25 0.00 0.00 0.00 179.25 180.50 2w4d h LEU 58 N 1.02 0.70 -0.49 0.00 5.85 -0.72 -1.81 115.31 119.86 2w4d h LEU 58 Ca 0.26 -0.33 -0.05 0.00 0.84 0.00 0.00 57.88 58.60 2w4d h LEU 58 Cb 0.07 -0.20 -0.02 0.00 0.37 0.00 0.00 40.66 40.88 2w4d h LEU 58 CO -0.04 1.04 0.12 0.40 -0.34 0.00 0.00 178.44 179.62 2w4d h ILE 59 N 0.52 1.24 -0.29 4.05 2.04 -0.66 -0.36 117.51 124.05 2w4d h ILE 59 Ca 0.03 -0.84 0.00 0.00 1.00 0.00 0.00 64.86 65.06 2w4d h ILE 59 Cb 0.99 0.85 -0.01 0.00 -0.74 0.00 0.00 36.82 37.91 2w4d h ILE 59 CO 0.09 0.30 0.19 1.23 0.00 0.00 0.00 178.15 179.97 2w4d h GLY 60 N 0.67 0.41 0.63 5.37 0.00 -0.97 -2.22 103.07 106.95 2w4d h GLY 60 Ca 0.15 -0.15 0.08 0.00 0.00 0.00 0.00 47.33 47.41 2w4d h GLY 60 CO 0.00 0.15 0.48 -0.25 0.00 0.00 0.00 176.54 176.92 2w4d h TRP 61 N 0.40 0.88 0.00 5.60 7.01 -0.98 -1.78 115.95 127.08 2w4d h TRP 61 Ca 0.11 0.03 0.00 0.00 2.11 0.00 0.00 58.89 61.14 2w4d h TRP 61 Cb -0.04 -0.28 0.00 0.00 -2.10 0.00 0.00 29.16 26.74 2w4d h TRP 61 CO -0.06 0.41 0.05 0.00 -2.79 0.00 0.00 178.44 176.05 2w4d h ALA 62 N 1.42 1.04 0.00 2.65 0.00 -0.43 0.39 119.26 124.33 2w4d h ALA 62 Ca 0.37 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.28 2w4d h ALA 62 Cb 0.26 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.05 2w4d h ALA 62 CO -0.21 -0.04 -0.26 0.72 0.00 0.00 0.00 179.25 179.46 2w4d n HIS 63 N -2.46 0.34 -0.06 0.00 8.25 -0.67 -4.11 115.22 116.50 2w4d n HIS 63 Ca -0.02 0.10 -0.07 0.00 -0.26 0.00 0.00 57.72 57.47 2w4d n HIS 63 Cb 0.09 -0.58 -0.02 0.00 1.12 0.00 0.00 29.99 30.60 2w4d n HIS 63 CO 0.00 0.00 0.00 0.94 0.64 0.00 0.00 176.34 177.92 2w4d n GLN 64 N -1.81 0.43 -0.66 -0.41 -0.06 0.10 -4.50 117.38 110.46 2w4d n GLN 64 Ca 0.05 0.17 0.09 0.00 -2.00 0.00 0.00 57.00 55.31 2w4d n GLN 64 Cb 0.38 -1.25 -0.02 0.00 -4.06 0.00 0.00 30.24 25.29 2w4d n GLN 64 CO 0.00 0.00 0.00 0.41 -0.20 0.00 0.00 177.06 177.27 2w4d n GLY 65 N 1.84 -1.96 3.69 1.69 0.00 0.85 -4.68 105.19 106.62 2w4d n GLY 65 Ca -0.11 -1.30 -0.33 0.00 0.00 0.00 0.00 46.02 44.28 2w4d n GLY 65 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2w4d s PRO 66 N -1.38 1.41 0.24 1.61 0.04 -1.26 -4.83 135.00 130.82 2w4d s PRO 66 Ca 0.00 1.70 -0.03 0.00 0.04 0.00 0.00 61.00 62.71 2w4d s PRO 66 Cb 0.00 -1.76 0.48 0.00 0.04 0.00 0.00 34.50 33.26 2w4d s PRO 66 CO 0.00 -2.38 1.28 -2.30 0.04 0.00 0.00 177.00 173.64 2w4d n PRO 67 N -3.62 -0.07 0.05 0.56 -0.02 -1.26 -0.76 135.00 129.87 2w4d n PRO 67 Ca 0.13 1.25 0.13 0.00 -2.02 0.00 0.00 63.50 62.99 2w4d n PRO 67 Cb 0.51 -1.92 0.51 0.00 -0.02 0.00 0.00 33.50 32.58 2w4d n PRO 67 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 2w4d n LEU 68 N -5.26 0.34 -4.77 2.45 4.77 -1.26 -4.87 117.00 108.39 2w4d n LEU 68 Ca 0.16 0.54 -0.37 0.00 -0.03 0.00 0.00 56.01 56.30 2w4d n LEU 68 Cb 0.50 -0.44 -0.02 0.00 -2.33 0.00 0.00 43.42 41.12 2w4d n LEU 68 CO -0.08 -0.13 0.79 0.00 -1.33 0.00 0.00 177.39 176.64 2w4d s ALA 69 N -3.06 3.06 -0.40 -1.18 0.00 0.06 -4.96 121.76 115.28 2w4d s ALA 69 Ca 0.11 0.85 0.01 0.00 0.00 0.00 0.00 51.96 52.94 2w4d s ALA 69 Cb 0.15 -3.34 0.14 0.00 0.00 0.00 0.00 23.12 20.07 2w4d s ALA 69 CO 0.52 -0.45 0.23 1.03 0.00 0.00 0.00 175.76 177.10 2w4d s ARG 70 N -2.51 0.98 -0.16 0.00 3.00 -0.09 -4.91 118.95 115.26 2w4d s ARG 70 Ca 0.60 -1.74 -0.27 0.00 0.00 0.00 0.00 55.73 54.32 2w4d s ARG 70 Cb -0.26 -1.89 -0.01 0.00 0.00 0.00 0.00 34.95 32.78 2w4d s ARG 70 CO 0.33 -1.19 0.91 0.08 0.00 0.00 0.00 175.30 175.43 2w4d s VAL 71 N 0.63 4.83 -0.14 3.52 1.01 -1.26 -0.54 120.40 128.45 2w4d s VAL 71 Ca 0.18 1.80 0.18 0.00 0.00 0.00 0.00 61.98 64.15 2w4d s VAL 71 Cb -0.23 -4.21 -0.25 0.00 0.00 0.00 0.00 36.38 31.69 2w4d s VAL 71 CO -0.00 -0.00 0.33 0.35 0.00 0.00 0.00 175.10 175.77 2w4d n THR 72 N 4.75 1.04 -3.55 3.92 -2.24 -0.19 -4.98 114.28 113.03 2w4d n THR 72 Ca 0.07 -0.74 -0.10 0.00 -2.27 0.00 0.00 64.05 61.00 2w4d n THR 72 Cb 0.48 -0.43 -0.04 0.00 -2.10 0.00 0.00 70.33 68.24 2w4d n THR 72 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2w4d s ARG 73 N -2.81 0.69 -0.03 -0.78 1.70 -1.22 -5.03 118.95 111.48 2w4d s ARG 73 Ca -0.08 0.02 0.01 0.00 -0.47 0.00 0.00 55.73 55.21 2w4d s ARG 73 Cb 0.08 0.32 0.02 0.00 -0.57 0.00 0.00 34.95 34.81 2w4d s ARG 73 CO 0.85 -0.25 -0.04 0.08 -1.08 0.00 0.00 175.30 174.86 2w4d s VAL 74 N -1.73 0.41 -0.16 4.99 1.01 -1.26 -1.06 120.40 122.59 2w4d s VAL 74 Ca -0.00 -0.10 -0.00 0.00 0.00 0.00 0.00 61.98 61.88 2w4d s VAL 74 Cb -0.01 -0.43 -0.00 0.00 0.00 0.00 0.00 36.38 35.94 2w4d s VAL 74 CO -0.01 0.17 -0.13 -1.61 0.00 0.00 0.00 175.10 173.52 2w4d s GLU 75 N 0.66 3.25 0.06 2.72 2.02 -0.17 -4.96 118.70 122.27 2w4d s GLU 75 Ca -0.08 -0.72 0.05 0.00 0.02 0.00 0.00 54.97 54.24 2w4d s GLU 75 Cb -0.11 -2.69 -0.04 0.00 0.10 0.00 0.00 34.13 31.39 2w4d s GLU 75 CO -0.00 -0.01 -0.09 0.08 0.02 0.00 0.00 175.26 175.26 2w4d s VAL 76 N 0.90 3.45 -0.07 2.63 1.01 -1.26 -1.29 120.40 125.76 2w4d s VAL 76 Ca -0.03 -1.04 -0.02 0.00 0.00 0.00 0.00 61.98 60.88 2w4d s VAL 76 Cb -0.15 -2.55 0.03 0.00 0.00 0.00 0.00 36.38 33.71 2w4d s VAL 76 CO -0.01 0.25 0.04 -0.75 0.00 0.00 0.00 175.10 174.63 2w4d s LYS 77 N -1.80 0.21 -0.00 2.72 2.20 -0.45 -4.96 119.74 117.65 2w4d s LYS 77 Ca 0.19 0.21 -0.21 0.00 -0.36 0.00 0.00 55.97 55.80 2w4d s LYS 77 Cb -0.11 -0.86 -0.05 0.00 -1.51 0.00 0.00 37.83 35.30 2w4d s LYS 77 CO 0.11 -0.36 0.61 -1.58 -0.36 0.00 0.00 175.35 173.76 2w4d s TRP 78 N 2.08 3.68 0.35 4.03 0.52 -1.26 -0.52 118.94 127.82 2w4d s TRP 78 Ca 0.04 1.21 0.06 0.00 0.02 0.00 0.00 56.10 57.44 2w4d s TRP 78 Cb -0.13 -2.62 -0.03 0.00 -1.15 0.00 0.00 33.47 29.54 2w4d s TRP 78 CO -0.05 0.34 0.24 -1.21 0.02 0.00 0.00 176.95 176.29 2w4d s GLU 79 N -0.15 1.79 -0.03 4.98 2.02 -0.57 -4.99 118.70 121.75 2w4d s GLU 79 Ca 0.32 -2.06 -0.30 0.00 0.02 0.00 0.00 54.97 52.95 2w4d s GLU 79 Cb -0.18 0.10 -0.02 0.00 0.10 0.00 0.00 34.13 34.13 2w4d s GLU 79 CO 0.17 -0.61 1.01 -0.65 0.02 0.00 0.00 175.26 175.20 2w4d s GLN 80 N -3.52 4.50 0.49 1.61 -1.52 -1.26 -3.70 119.66 116.26 2w4d s GLN 80 Ca 0.36 1.43 -0.21 0.00 -1.95 0.00 0.00 55.36 54.99 2w4d s GLN 80 Cb 0.02 -3.49 -0.09 0.00 -0.22 0.00 0.00 33.01 29.24 2w4d s GLN 80 CO 0.24 -0.16 0.87 -2.30 -0.25 0.00 0.00 175.29 173.69 2w4d n PRO 81 N 4.32 1.02 -0.00 2.91 -0.02 -1.26 -4.91 135.00 137.05 2w4d n PRO 81 Ca 0.07 0.38 0.01 0.00 -2.02 0.00 0.00 63.50 61.93 2w4d n PRO 81 Cb 0.50 -1.97 0.01 0.00 -0.02 0.00 0.00 33.50 32.01 2w4d n PRO 81 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11 2w4d n LYS 82 N -0.15 -0.50 -0.39 -0.52 5.02 -1.26 -5.01 118.16 115.35 2w4d n LYS 82 Ca 0.11 -0.66 0.00 0.00 -2.02 0.00 0.00 58.31 55.74 2w4d n LYS 82 Cb 0.43 -1.02 0.00 0.00 -0.02 0.00 0.00 35.03 34.42 2w4d n LYS 82 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2w4d n GLY 83 N 0.02 1.18 3.61 0.72 0.00 -1.26 -5.05 105.19 104.41 2w4d n GLY 83 Ca 0.01 -0.27 -0.41 0.00 0.00 0.00 0.00 46.02 45.35 2w4d n GLY 83 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2w4d n GLU 84 N -1.66 1.33 -3.70 1.61 -0.58 -1.26 -5.00 120.64 111.37 2w4d n GLU 84 Ca 0.00 0.48 -0.22 0.00 -0.42 0.00 0.00 57.16 57.00 2w4d n GLU 84 Cb 0.06 -2.05 -0.18 0.00 -0.57 0.00 0.00 31.44 28.70 2w4d n GLU 84 CO 0.00 0.00 0.00 0.21 -0.48 0.00 0.00 177.13 176.86 2w4d s LYS 85 N -2.07 0.20 0.00 3.49 2.20 -1.26 -4.80 119.74 117.50 2w4d s LYS 85 Ca 0.64 0.21 0.00 0.00 -0.36 0.00 0.00 55.97 56.46 2w4d s LYS 85 Cb -0.54 -0.85 0.00 0.00 -1.51 0.00 0.00 37.83 34.93 2w4d s LYS 85 CO 0.56 -0.36 0.00 0.41 -0.36 0.00 0.00 175.35 175.60 2w4d n GLY 86 N 5.24 -2.42 3.30 5.54 0.00 -1.26 -4.79 105.19 110.79 2w4d n GLY 86 Ca -0.05 -1.45 -0.34 0.00 0.00 0.00 0.00 46.02 44.18 2w4d n GLY 86 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 2w4d s PHE 87 N -3.13 2.89 0.24 1.61 5.36 -1.26 -1.39 117.98 122.30 2w4d s PHE 87 Ca 0.00 -0.97 0.11 0.00 -0.96 0.00 0.00 56.93 55.11 2w4d s PHE 87 Cb 0.00 -2.00 -0.05 0.00 -0.34 0.00 0.00 43.02 40.63 2w4d s PHE 87 CO 0.00 -0.50 -0.20 1.03 -1.46 0.00 0.00 175.22 174.10 2w4d s ARG 88 N 1.14 1.54 -0.30 10.12 3.00 -0.22 -4.95 118.95 129.28 2w4d s ARG 88 Ca 0.01 -1.65 -0.12 0.00 0.00 0.00 0.00 55.73 53.98 2w4d s ARG 88 Cb -0.14 -1.62 -0.04 0.00 0.00 0.00 0.00 34.95 33.15 2w4d s ARG 88 CO -0.03 0.31 0.21 0.42 0.00 0.00 0.00 175.30 176.22 2w4d s ILE 89 N -2.37 5.30 0.44 1.52 1.01 -1.26 -1.88 121.20 123.96 2w4d s ILE 89 Ca 0.25 0.08 0.02 0.00 0.00 0.00 0.00 60.65 61.00 2w4d s ILE 89 Cb -0.05 -3.59 0.02 0.00 0.01 0.00 0.00 42.46 38.85 2w4d s ILE 89 CO 0.12 0.17 0.15 1.33 0.00 0.00 0.00 174.94 176.71 2w4d n VAL 90 N 5.08 0.00 0.86 2.92 0.24 -0.58 -4.96 118.33 121.89 2w4d n VAL 90 Ca -0.13 -1.92 0.10 0.00 -2.04 0.00 0.00 64.34 60.35 2w4d n VAL 90 Cb 0.51 0.18 0.09 0.00 -1.47 0.00 0.00 33.84 33.15 2w4d n VAL 90 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69