#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wx5 n PRO 42 N 0.00 -0.38 0.00 0.00 -0.02 -1.26 -4.99 135.00 128.34 1wx5 n PRO 42 Ca 0.00 -0.05 0.00 0.00 -2.02 0.00 0.00 63.50 61.43 1wx5 n PRO 42 Cb 0.00 -2.25 0.00 0.00 -0.02 0.00 0.00 33.50 31.23 1wx5 n PRO 42 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 1wx5 n GLU 43 N -3.57 2.03 -3.64 -0.52 1.02 -1.26 -4.88 120.64 109.83 1wx5 n GLU 43 Ca 0.11 0.00 -0.11 0.00 -0.02 0.00 0.00 57.16 57.14 1wx5 n GLU 43 Cb 0.52 0.00 -0.07 0.00 -0.02 0.00 0.00 31.44 31.87 1wx5 n GLU 43 CO 0.00 0.00 0.00 -1.12 1.18 0.00 0.00 177.13 177.19 1wx5 s SER 44 N -2.18 -0.66 0.15 1.62 0.01 -1.26 -4.68 113.70 106.70 1wx5 s SER 44 Ca 0.00 1.22 0.02 0.00 1.31 0.00 0.00 55.95 58.51 1wx5 s SER 44 Cb 0.00 1.25 -0.01 0.00 0.21 0.00 0.00 66.02 67.47 1wx5 s SER 44 CO 0.00 -0.21 0.15 2.22 0.41 0.00 0.00 173.24 175.82 1wx5 n PHE 45 N 2.84 -0.51 0.00 2.43 1.16 -0.78 -4.95 117.46 117.65 1wx5 n PHE 45 Ca -0.15 -1.20 0.00 0.00 -1.87 0.00 0.00 57.45 54.23 1wx5 n PHE 45 Cb 0.56 0.17 0.00 0.00 -1.61 0.00 0.00 39.48 38.60 1wx5 n PHE 45 CO 0.00 0.00 0.00 -3.47 -1.87 0.00 0.00 176.76 171.42 1wx5 n ASP 46 N -2.26 0.00 -3.93 5.98 -0.08 -1.24 -1.78 116.55 113.23 1wx5 n ASP 46 Ca 0.03 0.00 -0.09 0.00 -1.51 0.00 0.00 54.79 53.22 1wx5 n ASP 46 Cb 0.27 0.00 -0.08 0.00 2.34 0.00 0.00 41.12 43.65 1wx5 n ASP 46 CO 0.00 0.00 0.00 -1.83 0.12 0.00 0.00 177.20 175.49 1wx5 s GLU 47 N 0.00 0.95 -0.57 -0.67 -1.05 0.39 -4.98 118.70 112.76 1wx5 s GLU 47 Ca 0.00 -1.09 -0.17 0.00 -0.15 0.00 0.00 54.97 53.56 1wx5 s GLU 47 Cb 0.00 0.34 0.12 0.00 -0.44 0.00 0.00 34.13 34.15 1wx5 s GLU 47 CO 0.00 -0.31 0.59 0.08 0.95 0.00 0.00 175.26 176.57 1wx5 s VAL 48 N -3.92 5.07 -0.36 1.83 1.01 -1.26 -0.11 120.40 122.66 1wx5 s VAL 48 Ca 0.11 -1.34 -0.16 0.00 0.00 0.00 0.00 61.98 60.59 1wx5 s VAL 48 Cb 0.05 -4.41 -0.00 0.00 0.00 0.00 0.00 36.38 32.02 1wx5 s VAL 48 CO -0.06 -0.98 0.39 -0.47 0.00 0.00 0.00 175.10 173.97 1wx5 s TYR 49 N 1.98 3.20 -0.93 5.22 5.04 0.97 -4.51 117.35 128.33 1wx5 s TYR 49 Ca 0.07 -0.09 -0.05 0.00 -2.44 0.00 0.00 57.07 54.57 1wx5 s TYR 49 Cb -0.27 -2.73 -0.04 0.00 0.35 0.00 0.00 41.96 39.28 1wx5 s TYR 49 CO 0.04 -0.49 0.82 1.63 -1.34 0.00 0.00 175.55 176.20 1wx5 n LYS 50 N 5.45 -1.79 -0.26 4.97 5.02 -1.26 -2.20 118.16 128.08 1wx5 n LYS 50 Ca -0.08 1.08 0.00 0.00 -2.02 0.00 0.00 58.31 57.29 1wx5 n LYS 50 Cb 0.49 -5.59 0.00 0.00 -0.02 0.00 0.00 35.03 29.91 1wx5 n LYS 50 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1wx5 n GLY 51 N -1.48 0.00 3.38 0.72 0.00 -1.26 -4.89 105.19 101.65 1wx5 n GLY 51 Ca -0.05 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.64 1wx5 n GLY 51 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1wx5 s ARG 52 N -0.53 3.11 -0.23 1.61 0.52 -0.94 -5.08 118.95 117.41 1wx5 s ARG 52 Ca 0.00 -0.71 -0.29 0.00 -0.52 0.00 0.00 55.73 54.21 1wx5 s ARG 52 Cb 0.00 -2.52 -0.01 0.00 0.52 0.00 0.00 34.95 32.94 1wx5 s ARG 52 CO 0.00 0.32 1.29 0.50 0.02 0.00 0.00 175.30 177.43 1wx5 s ARG 53 N 0.07 4.07 -0.09 3.54 6.06 -1.26 -0.02 118.95 131.31 1wx5 s ARG 53 Ca -0.06 1.46 0.02 0.00 -2.50 0.00 0.00 55.73 54.65 1wx5 s ARG 53 Cb -0.15 -3.83 -0.02 0.00 0.06 0.00 0.00 34.95 31.02 1wx5 s ARG 53 CO 0.05 -0.92 -0.16 0.96 -2.50 0.00 0.00 175.30 172.73 1wx5 s ILE 54 N 3.96 2.84 0.07 4.11 -4.36 0.84 0.12 121.20 128.79 1wx5 s ILE 54 Ca 0.56 -0.77 0.02 0.00 -0.26 0.00 0.00 60.65 60.20 1wx5 s ILE 54 Cb -0.19 -2.14 -0.03 0.00 1.25 0.00 0.00 42.46 41.35 1wx5 s ILE 54 CO 0.19 0.56 -0.08 -1.10 0.24 0.00 0.00 174.94 174.75 1wx5 s GLN 55 N -0.13 0.70 -0.02 0.37 -0.21 -0.42 -0.46 119.66 119.49 1wx5 s GLN 55 Ca -0.02 -1.04 -0.17 0.00 0.02 0.00 0.00 55.36 54.15 1wx5 s GLN 55 Cb -0.14 -0.32 0.03 0.00 1.00 0.00 0.00 33.01 33.58 1wx5 s GLN 55 CO 0.04 0.04 0.36 0.20 -2.12 0.00 0.00 175.29 173.80 1wx5 s GLY 56 N -2.25 -0.21 0.00 3.09 0.00 -0.73 -1.42 107.32 105.78 1wx5 s GLY 56 Ca 0.01 0.49 0.00 0.00 0.00 0.00 0.00 44.72 45.21 1wx5 s GLY 56 CO -0.01 0.26 0.00 -0.96 0.00 0.00 0.00 173.10 172.39 1wx5 n ARG 57 N 1.29 0.00 -0.59 2.90 1.85 -0.73 -1.86 116.66 119.51 1wx5 n ARG 57 Ca -0.21 0.00 -0.30 0.00 -1.00 0.00 0.00 57.85 56.34 1wx5 n ARG 57 Cb 0.56 0.00 0.21 0.00 -1.05 0.00 0.00 32.46 32.18 1wx5 n ARG 57 CO 0.00 0.00 0.00 -0.35 -0.01 0.00 0.00 177.63 177.27 1wx5 n PRO 58 N -0.05 -1.47 0.00 2.89 -0.04 -1.26 -0.99 135.00 134.08 1wx5 n PRO 58 Ca 0.00 -0.39 0.00 0.00 -0.04 0.00 0.00 63.50 63.07 1wx5 n PRO 58 Cb 0.00 -2.19 0.00 0.00 -0.04 0.00 0.00 33.50 31.27 1wx5 n PRO 58 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1wx5 n ALA 59 N -4.57 0.00 -1.78 0.55 0.00 -1.14 -4.59 120.51 108.98 1wx5 n ALA 59 Ca 0.07 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.51 1wx5 n ALA 59 Cb 0.54 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.99 1wx5 n ALA 59 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 1wx5 n GLU 67 N 0.00 -2.43 -3.88 0.00 2.13 -1.26 -4.57 120.64 110.64 1wx5 n GLU 67 Ca 0.00 1.71 -0.30 0.00 0.66 0.00 0.00 57.16 59.23 1wx5 n GLU 67 Cb 0.00 -2.15 -0.14 0.00 0.27 0.00 0.00 31.44 29.42 1wx5 n GLU 67 CO 0.00 0.00 0.00 -1.01 -0.41 0.00 0.00 177.13 175.71 1wx5 s HIS 68 N -0.23 2.81 0.00 4.31 3.76 -1.26 -5.07 115.29 119.62 1wx5 s HIS 68 Ca 0.00 -2.93 0.00 0.00 -0.15 0.00 0.00 55.06 51.98 1wx5 s HIS 68 Cb 0.00 -2.53 0.00 0.00 1.11 0.00 0.00 32.58 31.16 1wx5 s HIS 68 CO 0.00 -0.76 0.00 0.41 -0.85 0.00 0.00 174.74 173.54 1wx5 n GLY 69 N 3.29 1.29 0.00 -2.22 0.00 -1.26 -5.14 105.19 101.15 1wx5 n GLY 69 Ca 0.06 -2.14 0.00 0.00 0.00 0.00 0.00 46.02 43.94 1wx5 n GLY 69 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1wx5 n GLY 70 N -1.39 1.02 0.00 -0.02 0.00 -1.26 -4.90 105.19 98.64 1wx5 n GLY 70 Ca 0.00 -0.61 0.00 0.00 0.00 0.00 0.00 46.02 45.41 1wx5 n GLY 70 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1wx5 n GLY 71 N 0.00 -0.14 3.51 -0.02 0.00 -1.26 -5.09 105.19 102.18 1wx5 n GLY 71 Ca 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.93 1wx5 n GLY 71 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1wx5 s TYR 72 N 0.00 0.42 -0.14 1.61 5.04 -1.26 -2.88 117.35 120.14 1wx5 s TYR 72 Ca 0.00 -0.77 -0.06 0.00 -2.44 0.00 0.00 57.07 53.80 1wx5 s TYR 72 Cb 0.00 0.09 0.06 0.00 0.35 0.00 0.00 41.96 42.46 1wx5 s TYR 72 CO 0.00 -0.91 0.30 -1.21 -1.34 0.00 0.00 175.55 172.39 1wx5 s GLU 73 N -4.02 0.23 0.15 4.97 2.02 -0.16 -4.59 118.70 117.31 1wx5 s GLU 73 Ca 0.23 0.71 0.09 0.00 0.02 0.00 0.00 54.97 56.01 1wx5 s GLU 73 Cb 0.01 -0.02 -0.04 0.00 0.10 0.00 0.00 34.13 34.17 1wx5 s GLU 73 CO 0.07 -0.21 -0.14 0.08 0.02 0.00 0.00 175.26 175.08 1wx5 s VAL 74 N 1.83 3.02 -0.07 2.63 1.01 -1.26 -1.78 120.40 125.78 1wx5 s VAL 74 Ca -0.05 -1.61 -0.03 0.00 0.00 0.00 0.00 61.98 60.29 1wx5 s VAL 74 Cb -0.11 -2.45 0.04 0.00 0.00 0.00 0.00 36.38 33.86 1wx5 s VAL 74 CO -0.10 -0.02 0.16 -0.36 0.00 0.00 0.00 175.10 174.78 1wx5 s PHE 75 N -1.48 -0.19 -0.18 5.22 0.40 -0.51 -1.57 117.98 119.68 1wx5 s PHE 75 Ca 0.22 0.55 -0.03 0.00 -0.60 0.00 0.00 56.93 57.07 1wx5 s PHE 75 Cb -0.09 -0.12 -0.02 0.00 0.51 0.00 0.00 43.02 43.30 1wx5 s PHE 75 CO 0.13 -0.20 -0.05 0.08 0.70 0.00 0.00 175.22 175.88 1wx5 s VAL 76 N 1.48 3.61 0.00 -0.44 1.01 0.52 -1.30 120.40 125.28 1wx5 s VAL 76 Ca -0.06 -0.44 0.00 0.00 0.00 0.00 0.00 61.98 61.48 1wx5 s VAL 76 Cb -0.12 -2.60 0.00 0.00 0.00 0.00 0.00 36.38 33.67 1wx5 s VAL 76 CO -0.06 0.47 0.00 0.47 0.00 0.00 0.00 175.10 175.98 1wx5 n ASP 77 N 3.98 0.00 0.00 3.32 8.00 0.32 -1.14 116.55 131.04 1wx5 n ASP 77 Ca -0.18 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.32 1wx5 n ASP 77 Cb 0.52 -0.60 0.00 0.00 -0.02 0.00 0.00 41.12 41.02 1wx5 n ASP 77 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1wx5 n GLY 78 N -0.91 0.59 3.89 0.44 0.00 -1.26 -4.90 105.19 103.04 1wx5 n GLY 78 Ca 0.00 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.70 1wx5 n GLY 78 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1wx5 s VAL 79 N 0.00 5.19 -0.23 1.61 1.01 -0.29 -5.04 120.40 122.65 1wx5 s VAL 79 Ca 0.00 0.09 -0.29 0.00 0.00 0.00 0.00 61.98 61.77 1wx5 s VAL 79 Cb 0.00 -3.62 0.00 0.00 0.00 0.00 0.00 36.38 32.76 1wx5 s VAL 79 CO 0.00 0.14 1.16 -1.58 0.00 0.00 0.00 175.10 174.82 1wx5 s GLN 80 N -2.39 4.17 -0.58 2.72 0.74 -1.26 -0.35 119.66 122.71 1wx5 s GLN 80 Ca 0.37 1.40 -0.24 0.00 0.05 0.00 0.00 55.36 56.95 1wx5 s GLN 80 Cb -0.13 -3.73 0.05 0.00 1.10 0.00 0.00 33.01 30.30 1wx5 s GLN 80 CO 0.22 -0.77 0.94 -1.17 -0.55 0.00 0.00 175.29 173.97 1wx5 s LEU 81 N 3.55 4.18 -0.03 3.68 2.96 -0.61 -4.94 118.68 127.47 1wx5 s LEU 81 Ca 0.50 -0.54 -0.33 0.00 -0.22 0.00 0.00 54.13 53.53 1wx5 s LEU 81 Cb -0.17 -2.70 -0.11 0.00 0.50 0.00 0.00 46.19 43.71 1wx5 s LEU 81 CO 0.13 -1.29 1.88 1.57 -1.32 0.00 0.00 176.35 177.33 1wx5 n HIS 82 N 7.53 2.39 -4.58 5.38 -0.00 -1.26 -4.29 115.22 120.38 1wx5 n HIS 82 Ca -0.00 -0.09 -0.30 0.00 -0.00 0.00 0.00 57.72 57.34 1wx5 n HIS 82 Cb 0.47 -2.70 -0.08 0.00 -0.00 0.00 0.00 29.99 27.68 1wx5 n HIS 82 CO 0.00 0.00 0.00 0.14 -0.00 0.00 0.00 176.34 176.48 1wx5 s VAL 83 N 3.91 1.65 -0.18 3.57 -7.23 -1.26 -0.96 120.40 119.89 1wx5 s VAL 83 Ca 0.90 -1.93 -0.08 0.00 -1.81 0.00 0.00 61.98 59.06 1wx5 s VAL 83 Cb -0.62 -2.58 0.07 0.00 0.56 0.00 0.00 36.38 33.81 1wx5 s VAL 83 CO 0.48 0.00 0.41 -0.04 -0.31 0.00 0.00 175.10 175.64 1wx5 s MET 84 N -3.84 0.36 0.01 4.82 -1.94 -0.52 -4.97 119.30 113.22 1wx5 s MET 84 Ca 0.23 0.86 -0.17 0.00 -1.71 0.00 0.00 55.69 54.90 1wx5 s MET 84 Cb 0.05 0.09 -0.06 0.00 2.01 0.00 0.00 34.83 36.92 1wx5 s MET 84 CO 0.12 -0.19 0.48 0.50 -0.01 0.00 0.00 175.02 175.92 1wx5 s ARG 85 N 1.82 4.09 0.36 2.03 3.52 -1.26 -1.61 118.95 127.89 1wx5 s ARG 85 Ca -0.07 0.54 -0.02 0.00 -0.13 0.00 0.00 55.73 56.05 1wx5 s ARG 85 Cb -0.10 -3.26 -0.04 0.00 -1.56 0.00 0.00 34.95 29.99 1wx5 s ARG 85 CO -0.13 0.59 0.60 -0.80 -0.81 0.00 0.00 175.30 174.75 1wx5 s ASN 86 N -0.81 6.33 0.58 -2.12 0.01 0.13 -4.95 114.94 114.11 1wx5 s ASN 86 Ca 0.26 0.62 0.30 0.00 -0.71 0.00 0.00 52.86 53.33 1wx5 s ASN 86 Cb -0.17 -2.11 1.43 0.00 0.41 0.00 0.00 41.25 40.81 1wx5 s ASN 86 CO 0.15 -0.33 1.83 0.00 -1.51 0.00 0.00 177.10 177.24 1wx5 h ALA 87 N 0.89 2.47 -0.13 0.60 0.00 -1.98 0.42 119.26 121.53 1wx5 h ALA 87 Ca -0.49 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.40 1wx5 h ALA 87 Cb 1.21 0.05 0.00 0.00 0.00 0.00 0.00 17.79 19.05 1wx5 h ALA 87 CO 0.63 -0.97 0.00 -0.40 0.00 0.00 0.00 179.25 178.51 1wx5 n ASP 88 N -3.81 1.79 0.00 0.00 5.75 -1.26 -4.94 116.55 114.09 1wx5 n ASP 88 Ca 0.13 -1.67 0.00 0.00 -0.01 0.00 0.00 54.79 53.24 1wx5 n ASP 88 Cb 0.87 -0.08 0.00 0.00 -1.03 0.00 0.00 41.12 40.88 1wx5 n ASP 88 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1wx5 n GLY 89 N 1.18 2.22 3.71 6.12 0.00 0.15 -5.06 105.19 113.51 1wx5 n GLY 89 Ca 0.17 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.90 1wx5 n GLY 89 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1wx5 s SER 90 N -1.66 2.97 0.22 1.61 1.04 -1.26 -4.62 113.70 112.00 1wx5 s SER 90 Ca 0.00 1.15 0.09 0.00 0.48 0.00 0.00 55.95 57.66 1wx5 s SER 90 Cb 0.00 -1.79 -0.05 0.00 0.10 0.00 0.00 66.02 64.28 1wx5 s SER 90 CO 0.00 -2.91 -0.16 0.26 0.98 0.00 0.00 173.24 171.41 1wx5 s TRP 91 N -3.06 1.85 0.12 5.02 0.52 0.48 0.21 118.94 124.09 1wx5 s TRP 91 Ca 0.65 -0.51 -0.08 0.00 0.02 0.00 0.00 56.10 56.18 1wx5 s TRP 91 Cb -0.17 -0.85 -0.01 0.00 -1.15 0.00 0.00 33.47 31.29 1wx5 s TRP 91 CO 0.56 0.44 0.22 0.96 0.02 0.00 0.00 176.95 179.15 1wx5 s ILE 92 N -2.76 0.11 0.37 2.03 -4.36 -0.64 -0.61 121.20 115.34 1wx5 s ILE 92 Ca 0.23 -1.34 0.04 0.00 -0.26 0.00 0.00 60.65 59.32 1wx5 s ILE 92 Cb -0.02 -1.62 -0.05 0.00 1.25 0.00 0.00 42.46 42.01 1wx5 s ILE 92 CO 0.09 -0.49 0.06 -0.55 0.24 0.00 0.00 174.94 174.29 1wx5 s SER 93 N -2.92 2.79 0.37 4.36 0.15 -0.91 -1.43 113.70 116.10 1wx5 s SER 93 Ca 0.12 -1.46 0.12 0.00 0.70 0.00 0.00 55.95 55.42 1wx5 s SER 93 Cb 0.04 0.06 0.73 0.00 -1.71 0.00 0.00 66.02 65.14 1wx5 s SER 93 CO -0.05 -0.68 1.84 1.62 1.20 0.00 0.00 173.24 177.17 1wx5 h VAL 94 N 1.94 1.25 -0.68 4.45 3.04 -1.39 -0.02 116.25 124.84 1wx5 h VAL 94 Ca -0.40 -1.20 -0.22 0.00 -1.01 0.00 0.00 66.70 63.87 1wx5 h VAL 94 Cb 1.26 1.62 -0.13 0.00 -2.01 0.00 0.00 31.29 32.02 1wx5 h VAL 94 CO 0.69 0.35 0.24 0.55 -1.01 0.00 0.00 177.57 178.39 1wx5 n VAL 95 N -4.13 2.86 0.00 1.51 3.14 -1.26 -4.44 118.33 116.01 1wx5 n VAL 95 Ca -0.02 -1.82 0.00 0.00 -2.96 0.00 0.00 64.34 59.54 1wx5 n VAL 95 Cb 0.39 -0.35 0.00 0.00 -1.06 0.00 0.00 33.84 32.81 1wx5 n VAL 95 CO 0.00 0.00 0.00 -0.24 -6.46 0.00 0.00 176.83 170.13 1wx5 n SER 96 N -0.40 0.00 0.07 6.55 2.88 -0.91 -4.90 113.62 116.91 1wx5 n SER 96 Ca 0.40 0.00 0.11 0.00 -1.33 0.00 0.00 58.87 58.05 1wx5 n SER 96 Cb 1.33 0.00 0.44 0.00 -0.75 0.00 0.00 64.21 65.24 1wx5 n SER 96 CO 0.00 0.00 0.00 1.57 -1.23 0.00 0.00 175.04 175.38 1wx5 n HIS 97 N 0.00 0.49 0.07 0.66 -0.00 -0.07 -2.15 115.22 114.22 1wx5 n HIS 97 Ca 0.00 0.17 0.06 0.00 0.46 0.00 0.00 57.72 58.41 1wx5 n HIS 97 Cb 0.00 -0.78 0.11 0.00 -0.12 0.00 0.00 29.99 29.20 1wx5 n HIS 97 CO 0.00 0.00 0.00 0.66 0.46 0.00 0.00 176.34 177.46 1wx5 n TYR 98 N -1.93 0.29 -3.82 1.57 4.02 -1.26 -4.83 117.16 111.20 1wx5 n TYR 98 Ca 0.04 -0.31 -0.28 0.00 -0.01 0.00 0.00 57.90 57.34 1wx5 n TYR 98 Cb 0.27 -0.02 -0.12 0.00 -0.02 0.00 0.00 39.34 39.46 1wx5 n TYR 98 CO 0.00 0.00 0.00 -3.47 -1.01 0.00 0.00 176.86 172.38 1wx5 n ASP 99 N 0.58 2.78 -4.65 7.72 -0.08 -1.23 -5.09 116.55 116.57 1wx5 n ASP 99 Ca 0.10 -3.16 -0.47 0.00 -1.51 0.00 0.00 54.79 49.75 1wx5 n ASP 99 Cb 0.37 -0.74 -0.04 0.00 2.34 0.00 0.00 41.12 43.05 1wx5 n ASP 99 CO 0.00 0.00 0.00 -2.65 0.12 0.00 0.00 177.20 174.67 1wx5 n PRO 100 N 1.94 1.96 -4.27 -0.67 -0.02 -1.26 -4.77 135.00 127.92 1wx5 n PRO 100 Ca 0.22 0.71 -0.21 0.00 -2.02 0.00 0.00 63.50 62.19 1wx5 n PRO 100 Cb 0.37 -2.45 -0.12 0.00 -0.02 0.00 0.00 33.50 31.28 1wx5 n PRO 100 CO 0.00 0.00 0.00 0.14 1.98 0.00 0.00 175.50 177.62 1wx5 s VAL 101 N 0.81 1.54 0.44 -1.45 -7.23 0.22 -4.85 120.40 109.89 1wx5 s VAL 101 Ca 0.80 -1.62 0.14 0.00 -1.81 0.00 0.00 61.98 59.49 1wx5 s VAL 101 Cb -0.73 -1.53 0.33 0.00 0.56 0.00 0.00 36.38 35.02 1wx5 s VAL 101 CO 0.40 -0.23 1.98 1.55 -0.31 0.00 0.00 175.10 178.50 1wx5 h PRO 102 N 3.81 0.37 -4.26 4.82 0.13 -1.89 1.39 132.00 136.37 1wx5 h PRO 102 Ca -0.43 -0.02 -0.15 0.00 -0.87 0.00 0.00 66.00 64.53 1wx5 h PRO 102 Cb 1.19 -0.08 -0.14 0.00 0.13 0.00 0.00 31.00 32.09 1wx5 h PRO 102 CO 0.45 0.24 -0.57 0.95 -0.23 0.00 0.00 178.00 178.84 1wx5 s THR 103 N -5.36 0.11 0.43 1.56 -4.23 -1.26 -4.61 115.64 102.29 1wx5 s THR 103 Ca -0.07 -1.75 0.11 0.00 -1.18 0.00 0.00 61.69 58.80 1wx5 s THR 103 Cb 0.20 -1.89 0.21 0.00 1.34 0.00 0.00 72.50 72.36 1wx5 s THR 103 CO 0.75 -0.52 2.02 -0.65 -0.54 0.00 0.00 174.62 175.67 1wx5 h PRO 104 N 2.84 0.23 -0.68 3.99 0.11 -1.95 -2.28 132.00 134.25 1wx5 h PRO 104 Ca -0.34 -0.03 -0.00 0.00 0.11 0.00 0.00 66.00 65.74 1wx5 h PRO 104 Cb 1.20 -0.04 -0.03 0.00 0.11 0.00 0.00 31.00 32.23 1wx5 h PRO 104 CO 0.58 0.26 0.42 -0.09 -0.21 0.00 0.00 178.00 178.95 1wx5 h ARG 105 N 0.22 0.91 -0.49 1.05 2.43 -1.96 0.34 114.38 116.89 1wx5 h ARG 105 Ca 0.05 -0.08 -0.03 0.00 -0.81 0.00 0.00 59.98 59.12 1wx5 h ARG 105 Cb 0.17 -0.20 -0.02 0.00 -0.42 0.00 0.00 29.97 29.51 1wx5 h ARG 105 CO 0.00 0.64 0.20 0.00 -1.51 0.00 0.00 179.97 179.31 1wx5 h ALA 106 N 1.22 0.64 0.11 2.80 0.00 -1.84 0.13 119.26 122.32 1wx5 h ALA 106 Ca 0.24 -0.15 0.01 0.00 0.00 0.00 0.00 54.91 55.02 1wx5 h ALA 106 Cb -0.05 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.53 1wx5 h ALA 106 CO -0.05 0.24 -0.15 0.00 0.00 0.00 0.00 179.25 179.29 1wx5 h ALA 107 N 1.05 -0.26 -0.24 0.00 0.00 -0.95 1.07 119.26 119.91 1wx5 h ALA 107 Ca 0.16 -0.03 0.04 0.00 0.00 0.00 0.00 54.91 55.09 1wx5 h ALA 107 Cb 0.18 0.23 -0.04 0.00 0.00 0.00 0.00 17.79 18.16 1wx5 h ALA 107 CO -0.01 -0.67 -0.01 0.00 0.00 0.00 0.00 179.25 178.55 1wx5 h ALA 108 N 0.54 0.21 -0.37 0.00 0.00 -0.08 0.22 119.26 119.79 1wx5 h ALA 108 Ca 0.02 0.07 -0.02 0.00 0.00 0.00 0.00 54.91 54.97 1wx5 h ALA 108 Cb 0.31 0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.21 1wx5 h ALA 108 CO -0.07 -0.43 0.14 0.00 0.00 0.00 0.00 179.25 178.89 1wx5 h ARG 109 N 0.06 0.56 -0.80 0.00 3.08 -0.44 -0.77 114.38 116.08 1wx5 h ARG 109 Ca 0.11 -0.11 0.10 0.00 0.07 0.00 0.00 59.98 60.16 1wx5 h ARG 109 Cb 0.15 -0.09 -0.06 0.00 0.08 0.00 0.00 29.97 30.06 1wx5 h ARG 109 CO -0.20 0.55 0.52 0.00 -1.07 0.00 0.00 179.97 179.77 1wx5 h ALA 110 N 0.98 1.79 0.05 0.04 0.00 0.18 0.54 119.26 122.84 1wx5 h ALA 110 Ca 0.12 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 55.02 1wx5 h ALA 110 Cb 0.21 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 17.84 1wx5 h ALA 110 CO -0.01 0.04 -0.02 0.00 0.00 0.00 0.00 179.25 179.26 1wx5 h ALA 111 N 1.60 -0.06 -0.98 0.00 0.00 0.10 -1.83 119.26 118.10 1wx5 h ALA 111 Ca 0.37 -0.20 0.18 0.00 0.00 0.00 0.00 54.91 55.26 1wx5 h ALA 111 Cb 0.49 0.02 -0.09 0.00 0.00 0.00 0.00 17.79 18.21 1wx5 h ALA 111 CO -0.14 -0.33 0.61 0.28 0.00 0.00 0.00 179.25 179.67 1wx5 h VAL 112 N -0.47 0.74 0.05 0.00 2.07 -0.26 0.25 116.25 118.62 1wx5 h VAL 112 Ca -0.01 -0.24 -0.00 0.00 0.82 0.00 0.00 66.70 67.27 1wx5 h VAL 112 Cb 0.42 -0.04 -0.00 0.00 -1.52 0.00 0.00 31.29 30.15 1wx5 h VAL 112 CO 0.01 0.13 -0.07 0.44 0.02 0.00 0.00 177.57 178.10 1wx5 h ASP 113 N 0.71 -0.19 -0.99 0.57 3.32 -0.45 -2.31 116.42 117.08 1wx5 h ASP 113 Ca 0.54 0.02 0.13 0.00 0.02 0.00 0.00 57.03 57.73 1wx5 h ASP 113 Cb 0.90 0.07 -0.08 0.00 0.22 0.00 0.00 39.33 40.43 1wx5 h ASP 113 CO -0.31 -0.08 0.63 -0.08 -1.72 0.00 0.00 179.24 177.67 1wx5 h GLU 114 N -0.12 0.93 -0.26 3.56 4.57 -0.56 -2.42 114.58 120.27 1wx5 h GLU 114 Ca -0.01 -0.06 -0.00 0.00 -1.18 0.00 0.00 59.36 58.11 1wx5 h GLU 114 Cb 0.11 -0.21 -0.01 0.00 -0.16 0.00 0.00 28.75 28.48 1wx5 h GLU 114 CO -0.02 0.61 0.14 -0.07 -1.18 0.00 0.00 179.01 178.50 1wx5 h LEU 115 N 0.96 0.31 2.50 1.64 3.38 -0.39 -3.46 115.31 120.24 1wx5 h LEU 115 Ca 0.50 -0.01 -0.22 0.00 0.09 0.00 0.00 57.88 58.23 1wx5 h LEU 115 Cb 0.53 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 41.19 1wx5 h LEU 115 CO -0.26 0.25 -0.28 0.00 0.09 0.00 0.00 178.44 178.24 1wx5 n GLN 116 N -4.47 -2.29 0.00 1.13 6.02 -0.88 0.30 117.38 117.19 1wx5 n GLN 116 Ca 0.01 0.53 0.00 0.00 -0.01 0.00 0.00 57.00 57.53 1wx5 n GLN 116 Cb 0.09 -5.12 0.00 0.00 1.02 0.00 0.00 30.24 26.24 1wx5 n GLN 116 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1wx5 n GLY 117 N -0.76 0.24 3.76 1.08 0.00 -1.26 -5.08 105.19 103.18 1wx5 n GLY 117 Ca -0.13 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.54 1wx5 n GLY 117 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1wx5 s ALA 118 N -2.00 2.60 0.22 4.61 0.00 0.15 -5.02 121.76 122.32 1wx5 s ALA 118 Ca 0.00 0.87 -0.15 0.00 0.00 0.00 0.00 51.96 52.67 1wx5 s ALA 118 Cb 0.00 -3.39 -0.08 0.00 0.00 0.00 0.00 23.12 19.65 1wx5 s ALA 118 CO 0.00 -0.99 0.64 -1.25 0.00 0.00 0.00 175.76 174.16 1wx5 s PRO 119 N -3.40 4.04 0.20 0.00 0.05 -1.26 -4.91 135.00 129.71 1wx5 s PRO 119 Ca 0.74 0.60 -0.23 0.00 0.05 0.00 0.00 61.00 62.17 1wx5 s PRO 119 Cb -0.26 -2.77 -0.08 0.00 0.05 0.00 0.00 34.50 31.43 1wx5 s PRO 119 CO 0.31 0.37 0.75 -0.51 0.05 0.00 0.00 177.00 177.97 1wx5 s LEU 120 N -2.29 4.47 -0.00 -3.56 1.43 -1.26 -5.06 118.68 112.40 1wx5 s LEU 120 Ca 0.44 1.54 -0.16 0.00 -1.03 0.00 0.00 54.13 54.92 1wx5 s LEU 120 Cb -0.14 -3.45 -0.06 0.00 0.03 0.00 0.00 46.19 42.58 1wx5 s LEU 120 CO 0.20 0.12 0.44 -0.76 0.23 0.00 0.00 176.35 176.57 1wx5 s LEU 121 N -1.56 4.46 0.00 1.79 1.43 -1.26 -4.93 118.68 118.60 1wx5 s LEU 121 Ca 0.39 0.99 0.20 0.00 -1.03 0.00 0.00 54.13 54.68 1wx5 s LEU 121 Cb -0.20 -2.64 1.18 0.00 0.03 0.00 0.00 46.19 44.56 1wx5 s LEU 121 CO 0.23 0.28 1.57 -0.81 0.23 0.00 0.00 176.35 177.85