#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2w50 s ASP 10 N 0.00 5.68 -1.84 0.00 2.15 -1.26 -3.30 116.67 118.10 2w50 s ASP 10 Ca 0.00 2.78 0.00 0.00 0.43 0.00 0.00 52.55 55.76 2w50 s ASP 10 Cb 0.00 -2.64 0.00 0.00 -0.30 0.00 0.00 42.92 39.98 2w50 s ASP 10 CO 0.00 -1.29 0.00 0.00 -0.17 0.00 0.00 175.17 173.71 2w50 h GLU 12 N 0.00 0.67 -0.18 0.00 4.57 -1.77 0.18 114.58 118.04 2w50 h GLU 12 Ca -0.43 -0.39 -0.00 0.00 -1.18 0.00 0.00 59.36 57.35 2w50 h GLU 12 Cb 1.31 0.03 -0.01 0.00 -0.16 0.00 0.00 28.75 29.92 2w50 h GLU 12 CO 0.56 1.01 0.11 0.28 -1.18 0.00 0.00 179.01 179.78 2w50 h VAL 13 N 0.39 1.09 -0.29 0.32 2.07 -1.89 -1.58 116.25 116.36 2w50 h VAL 13 Ca 0.03 -0.24 0.03 0.00 0.82 0.00 0.00 66.70 67.34 2w50 h VAL 13 Cb 0.93 0.92 -0.03 0.00 -1.52 0.00 0.00 31.29 31.59 2w50 h VAL 13 CO 0.08 0.09 0.09 0.00 0.02 0.00 0.00 177.57 177.85 2w50 h LYS 15 N 0.21 0.66 -0.41 0.00 3.64 -0.43 -1.54 116.57 118.71 2w50 h LYS 15 Ca 0.13 -0.06 -0.14 0.00 -1.27 0.00 0.00 60.65 59.31 2w50 h LYS 15 Cb 0.11 -0.14 -0.01 0.00 -0.41 0.00 0.00 32.23 31.79 2w50 h LYS 15 CO -0.15 0.49 -0.29 0.93 -2.27 0.00 0.00 179.45 178.16 2w50 h GLU 16 N 0.64 0.88 -0.29 1.90 4.39 -1.20 -0.70 114.58 120.22 2w50 h GLU 16 Ca 0.17 -0.41 -0.03 0.00 0.34 0.00 0.00 59.36 59.44 2w50 h GLU 16 Cb 0.00 -0.01 -0.01 0.00 -0.10 0.00 0.00 28.75 28.63 2w50 h GLU 16 CO -0.03 1.05 0.05 0.35 -1.16 0.00 0.00 179.01 179.28 2w50 h PHE 17 N 0.75 0.49 -0.58 4.33 3.57 -1.15 -0.37 116.94 123.99 2w50 h PHE 17 Ca 0.08 -0.07 -0.07 0.00 3.53 0.00 0.00 57.97 61.45 2w50 h PHE 17 Cb 0.85 -0.14 -0.02 0.00 2.79 0.00 0.00 35.95 39.43 2w50 h PHE 17 CO 0.05 0.56 0.08 -0.07 -2.23 0.00 0.00 178.31 176.70 2w50 h LEU 18 N 0.29 0.89 -0.81 0.59 3.38 -1.15 -0.64 115.31 117.86 2w50 h LEU 18 Ca 0.09 -0.20 -0.07 0.00 0.09 0.00 0.00 57.88 57.79 2w50 h LEU 18 Cb 0.32 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 40.81 2w50 h LEU 18 CO 0.00 0.90 0.12 0.78 0.09 0.00 0.00 178.44 180.34 2w50 h ASN 19 N 0.88 0.96 -0.69 -0.43 -0.26 -0.96 0.55 115.58 115.64 2w50 h ASN 19 Ca 0.18 -0.21 0.01 0.00 -0.56 0.00 0.00 56.30 55.72 2w50 h ASN 19 Cb 0.40 -0.25 -0.03 0.00 -1.06 0.00 0.00 38.32 37.38 2w50 h ASN 19 CO 0.01 0.95 0.45 -0.09 -1.06 0.00 0.00 177.43 177.69 2w50 h ARG 20 N 0.96 0.90 -0.10 0.81 2.43 -0.70 -0.66 114.38 118.01 2w50 h ARG 20 Ca 0.20 -0.05 -0.01 0.00 -0.81 0.00 0.00 59.98 59.30 2w50 h ARG 20 Cb 0.39 -0.20 -0.00 0.00 -0.42 0.00 0.00 29.97 29.73 2w50 h ARG 20 CO 0.01 0.60 0.03 0.35 -1.51 0.00 0.00 179.97 179.45 2w50 h PHE 21 N 0.93 0.16 -0.41 2.20 3.57 -0.57 -1.27 116.94 121.54 2w50 h PHE 21 Ca 0.25 -0.01 0.08 0.00 3.53 0.00 0.00 57.97 61.82 2w50 h PHE 21 Cb -0.11 -0.05 -0.07 0.00 2.79 0.00 0.00 35.95 38.52 2w50 h PHE 21 CO -0.03 0.29 -0.04 1.88 -2.23 0.00 0.00 178.31 178.18 2w50 h TYR 22 N -0.02 -0.10 -0.97 0.41 0.05 -0.74 -1.34 116.97 114.26 2w50 h TYR 22 Ca 0.03 0.03 0.01 0.00 0.05 0.00 0.00 58.73 58.85 2w50 h TYR 22 Cb 0.20 0.11 -0.05 0.00 1.01 0.00 0.00 36.73 38.00 2w50 h TYR 22 CO -0.01 -0.12 0.64 -0.22 -1.05 0.00 0.00 178.16 177.40 2w50 h LYS 23 N 0.06 1.29 -0.79 4.88 1.63 -0.92 -1.12 116.57 121.61 2w50 h LYS 23 Ca 0.20 -0.08 -0.04 0.00 -0.85 0.00 0.00 60.65 59.88 2w50 h LYS 23 Cb 0.30 -0.29 -0.04 0.00 -0.60 0.00 0.00 32.23 31.61 2w50 h LYS 23 CO -0.37 0.86 0.35 0.66 -3.45 0.00 0.00 179.45 177.50 2w50 h SER 24 N 1.33 1.06 -0.40 4.20 4.64 -0.39 0.15 113.55 124.14 2w50 h SER 24 Ca 0.36 -0.15 -0.04 0.00 -0.47 0.00 0.00 61.79 61.49 2w50 h SER 24 Cb -0.14 -0.27 -0.02 0.00 -0.31 0.00 0.00 62.40 61.66 2w50 h SER 24 CO -0.08 0.92 0.10 -0.07 -0.87 0.00 0.00 176.83 176.84 2w50 h LEU 25 N 1.14 0.60 -0.09 5.97 3.38 -0.42 -1.49 115.31 124.39 2w50 h LEU 25 Ca 0.27 -0.23 -0.00 0.00 0.09 0.00 0.00 57.88 58.01 2w50 h LEU 25 Cb 0.16 -0.16 -0.00 0.00 0.09 0.00 0.00 40.66 40.75 2w50 h LEU 25 CO -0.03 0.67 0.04 0.40 0.09 0.00 0.00 178.44 179.61 2w50 h ILE 26 N 0.50 1.12 -0.01 1.22 2.04 -1.00 -1.78 117.51 119.60 2w50 h ILE 26 Ca 0.13 -0.35 -0.03 0.00 1.00 0.00 0.00 64.86 65.60 2w50 h ILE 26 Cb 0.30 1.19 -0.00 0.00 -0.74 0.00 0.00 36.82 37.56 2w50 h ILE 26 CO 0.00 0.11 -0.14 0.44 0.00 0.00 0.00 178.15 178.55 2w50 h ASP 27 N 0.02 0.01 -0.28 1.72 3.32 -0.63 -2.40 116.42 118.19 2w50 h ASP 27 Ca 0.03 -0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.08 2w50 h ASP 27 Cb 0.13 -0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.68 2w50 h ASP 27 CO -0.00 0.16 0.00 0.54 -1.72 0.00 0.00 179.24 178.21 2w50 n ARG 28 N -4.36 1.98 -2.61 3.56 1.74 -0.57 -4.95 116.66 111.44 2w50 n ARG 28 Ca -0.02 -1.49 -0.20 0.00 -0.77 0.00 0.00 57.85 55.37 2w50 n ARG 28 Cb 0.21 -1.41 0.00 0.00 -1.02 0.00 0.00 32.46 30.25 2w50 n ARG 28 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2w50 n GLY 29 N 1.23 -0.51 3.76 -0.13 0.00 -0.90 -4.98 105.19 103.67 2w50 n GLY 29 Ca 0.17 0.04 -0.40 0.00 0.00 0.00 0.00 46.02 45.83 2w50 n GLY 29 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2w50 s VAL 30 N -3.03 3.88 0.34 1.61 1.01 -0.72 -5.03 120.40 118.47 2w50 s VAL 30 Ca 0.10 1.86 -0.28 0.00 0.00 0.00 0.00 61.98 63.66 2w50 s VAL 30 Cb -0.04 -4.17 -0.10 0.00 0.00 0.00 0.00 36.38 32.07 2w50 s VAL 30 CO 0.12 0.42 1.30 0.20 0.00 0.00 0.00 175.10 177.14 2w50 s ASN 31 N -1.12 6.71 -1.23 3.32 0.01 -1.26 -4.81 114.94 116.56 2w50 s ASN 31 Ca 0.43 2.68 -0.04 0.00 -0.71 0.00 0.00 52.86 55.22 2w50 s ASN 31 Cb -0.27 -2.65 0.17 0.00 0.41 0.00 0.00 41.25 38.91 2w50 s ASN 31 CO 0.34 -0.58 2.26 0.49 -1.51 0.00 0.00 177.10 178.11 2w50 n PHE 32 N 0.70 2.61 -3.58 2.20 3.01 -1.26 -4.56 117.46 116.59 2w50 n PHE 32 Ca 0.01 -2.73 -0.28 0.00 1.01 0.00 0.00 57.45 55.45 2w50 n PHE 32 Cb 0.42 -1.67 -0.03 0.00 -0.01 0.00 0.00 39.48 38.19 2w50 n PHE 32 CO 0.00 0.00 0.00 -1.54 1.01 0.00 0.00 176.76 176.23 2w50 s SER 33 N -0.04 6.41 0.13 4.37 1.04 -1.26 -4.77 113.70 119.57 2w50 s SER 33 Ca 0.51 0.50 -0.27 0.00 0.48 0.00 0.00 55.95 57.17 2w50 s SER 33 Cb 0.19 -2.05 -0.04 0.00 0.10 0.00 0.00 66.02 64.22 2w50 s SER 33 CO -0.11 -0.09 1.61 -0.07 0.98 0.00 0.00 173.24 175.56 2w50 h LEU 34 N 1.90 -0.99 -0.96 2.42 3.38 -1.92 0.73 115.31 119.87 2w50 h LEU 34 Ca -0.48 0.13 0.01 0.00 0.09 0.00 0.00 57.88 57.64 2w50 h LEU 34 Cb 1.19 0.40 -0.05 0.00 0.09 0.00 0.00 40.66 42.30 2w50 h LEU 34 CO 0.67 -0.38 0.64 0.44 0.09 0.00 0.00 178.44 179.90 2w50 h ASP 35 N -0.45 1.10 -0.08 -0.43 3.32 -1.98 -0.33 116.42 117.57 2w50 h ASP 35 Ca 0.07 -0.03 -0.01 0.00 0.02 0.00 0.00 57.03 57.09 2w50 h ASP 35 Cb 0.56 -0.27 -0.00 0.00 0.22 0.00 0.00 39.33 39.83 2w50 h ASP 35 CO -0.30 0.79 0.00 0.74 -1.72 0.00 0.00 179.24 178.75 2w50 h THR 36 N 1.29 1.25 -0.44 0.35 2.02 -1.79 -1.68 112.91 113.91 2w50 h THR 36 Ca 0.36 -0.77 0.05 0.00 0.77 0.00 0.00 66.41 66.81 2w50 h THR 36 Cb -0.13 1.61 -0.05 0.00 -1.74 0.00 0.00 68.15 67.85 2w50 h THR 36 CO -0.08 0.22 0.18 0.40 0.37 0.00 0.00 175.52 176.60 2w50 h ILE 37 N -0.14 0.90 0.09 3.11 2.04 -0.53 0.70 117.51 123.69 2w50 h ILE 37 Ca 0.02 -0.13 0.02 0.00 1.00 0.00 0.00 64.86 65.77 2w50 h ILE 37 Cb 0.34 0.50 -0.03 0.00 -0.74 0.00 0.00 36.82 36.88 2w50 h ILE 37 CO 0.00 0.07 -0.22 -0.08 0.00 0.00 0.00 178.15 177.92 2w50 h GLU 38 N 0.37 -0.39 -0.76 2.37 4.81 -1.01 0.79 114.58 120.75 2w50 h GLU 38 Ca 0.20 0.03 -0.02 0.00 -0.13 0.00 0.00 59.36 59.44 2w50 h GLU 38 Cb 0.17 0.09 -0.04 0.00 0.63 0.00 0.00 28.75 29.60 2w50 h GLU 38 CO -0.18 -0.26 0.39 -0.22 -0.73 0.00 0.00 179.01 178.01 2w50 h LYS 39 N -0.41 1.08 -0.55 1.92 3.64 -1.06 -1.73 116.57 119.46 2w50 h LYS 39 Ca 0.03 -0.14 -0.06 0.00 -1.27 0.00 0.00 60.65 59.21 2w50 h LYS 39 Cb 0.44 -0.20 -0.02 0.00 -0.41 0.00 0.00 32.23 32.03 2w50 h LYS 39 CO -0.14 0.82 0.09 0.93 -2.27 0.00 0.00 179.45 178.88 2w50 h GLU 40 N 1.06 0.88 -0.19 1.90 4.39 -0.63 0.28 114.58 122.27 2w50 h GLU 40 Ca 0.26 -0.21 -0.09 0.00 0.34 0.00 0.00 59.36 59.67 2w50 h GLU 40 Cb 0.07 -0.12 -0.00 0.00 -0.10 0.00 0.00 28.75 28.60 2w50 h GLU 40 CO -0.04 0.82 -0.23 1.25 -1.16 0.00 0.00 179.01 179.66 2w50 h LEU 41 N 0.84 0.54 -0.69 1.33 5.85 -0.66 0.17 115.31 122.68 2w50 h LEU 41 Ca 0.17 -0.50 0.07 0.00 0.84 0.00 0.00 57.88 58.47 2w50 h LEU 41 Cb 0.37 -0.15 -0.06 0.00 0.37 0.00 0.00 40.66 41.19 2w50 h LEU 41 CO 0.01 0.92 0.37 0.40 -0.34 0.00 0.00 178.44 179.80 2w50 h ILE 42 N 0.16 0.91 -0.42 4.05 2.04 -1.22 -0.20 117.51 122.84 2w50 h ILE 42 Ca 0.03 -0.22 -0.03 0.00 1.00 0.00 0.00 64.86 65.64 2w50 h ILE 42 Cb 0.79 0.20 -0.02 0.00 -0.74 0.00 0.00 36.82 37.05 2w50 h ILE 42 CO 0.05 0.12 0.16 -1.28 0.00 0.00 0.00 178.15 177.20 2w50 h SER 43 N 0.65 0.58 -0.23 1.72 0.87 -0.67 -2.42 113.55 114.07 2w50 h SER 43 Ca 0.32 -0.17 -0.01 0.00 -1.23 0.00 0.00 61.79 60.70 2w50 h SER 43 Cb 0.27 -0.15 -0.01 0.00 -0.44 0.00 0.00 62.40 62.06 2w50 h SER 43 CO -0.22 0.60 0.12 0.15 -0.53 0.00 0.00 176.83 176.95 2w50 h PHE 44 N 0.53 0.34 0.00 2.24 3.57 -0.33 -1.94 116.94 121.35 2w50 h PHE 44 Ca 0.14 -0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.64 2w50 h PHE 44 Cb 0.20 -0.11 0.00 0.00 2.79 0.00 0.00 35.95 38.83 2w50 h PHE 44 CO 0.00 0.26 -0.02 0.00 -2.23 0.00 0.00 178.31 176.32 2w50 h LEU 46 N 0.00 -0.86 -1.46 0.00 3.38 -0.88 -2.86 115.31 112.62 2w50 h LEU 46 Ca 0.00 0.12 0.00 0.00 0.09 0.00 0.00 57.88 58.09 2w50 h LEU 46 Cb 0.55 0.36 0.00 0.00 0.09 0.00 0.00 40.66 41.66 2w50 h LEU 46 CO 0.00 -0.35 0.00 0.47 0.09 0.00 0.00 178.44 178.65 2w50 n ASP 47 N -5.39 2.11 -4.80 -0.43 8.00 -1.26 -4.94 116.55 109.84 2w50 n ASP 47 Ca -0.04 -2.14 -0.34 0.00 0.71 0.00 0.00 54.79 52.97 2w50 n ASP 47 Cb 0.31 -0.34 -0.04 0.00 -0.02 0.00 0.00 41.12 41.02 2w50 n ASP 47 CO 0.00 0.00 0.00 0.42 -0.39 0.00 0.00 177.20 177.23 2w50 s THR 48 N -1.64 3.84 0.21 -3.53 -4.23 -1.08 -5.05 115.64 104.14 2w50 s THR 48 Ca 0.21 1.20 0.04 0.00 -1.18 0.00 0.00 61.69 61.96 2w50 s THR 48 Cb 0.13 -3.52 -0.05 0.00 1.34 0.00 0.00 72.50 70.40 2w50 s THR 48 CO 0.11 -0.19 -0.05 -0.54 -0.54 0.00 0.00 174.62 173.41 2w50 s LYS 49 N -3.06 1.27 4.81 3.99 1.02 -1.26 -4.57 119.74 121.94 2w50 s LYS 49 Ca 0.65 -1.61 0.00 0.00 0.02 0.00 0.00 55.97 55.03 2w50 s LYS 49 Cb -0.17 -0.70 0.00 0.00 -0.52 0.00 0.00 37.83 36.45 2w50 s LYS 49 CO 0.21 -0.01 0.00 0.41 -0.92 0.00 0.00 175.35 175.04 2w50 n GLY 50 N -0.36 3.21 0.29 -3.33 0.00 -1.26 -2.33 105.19 101.40 2w50 n GLY 50 Ca -0.07 -0.04 -0.02 0.00 0.00 0.00 0.00 46.02 45.89 2w50 n GLY 50 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2w50 h LYS 51 N 0.00 0.70 -0.13 1.61 1.79 -1.98 -1.42 116.57 117.14 2w50 h LYS 51 Ca 0.00 -0.15 -0.09 0.00 -2.18 0.00 0.00 60.65 58.23 2w50 h LYS 51 Cb 0.00 -0.10 -0.01 0.00 -1.58 0.00 0.00 32.23 30.54 2w50 h LYS 51 CO 0.00 0.68 -0.32 0.93 -1.08 0.00 0.00 179.45 179.65 2w50 h GLU 52 N 0.67 0.26 -0.33 3.15 5.08 -1.88 -0.52 114.58 121.00 2w50 h GLU 52 Ca 0.14 -0.10 -0.18 0.00 -1.00 0.00 0.00 59.36 58.23 2w50 h GLU 52 Cb 0.34 -0.01 -0.00 0.00 0.50 0.00 0.00 28.75 29.57 2w50 h GLU 52 CO 0.01 0.56 -0.48 -0.97 -1.00 0.00 0.00 179.01 177.12 2w50 h ASN 53 N 0.22 0.99 -0.66 1.42 -1.24 -0.95 -0.25 115.58 115.11 2w50 h ASN 53 Ca 0.03 -0.50 -0.01 0.00 0.71 0.00 0.00 56.30 56.54 2w50 h ASN 53 Cb 0.68 -0.28 -0.03 0.00 0.73 0.00 0.00 38.32 39.42 2w50 h ASN 53 CO 0.05 1.30 0.39 -0.09 -1.29 0.00 0.00 177.43 177.79 2w50 h ARG 54 N 0.71 0.91 -0.58 6.67 2.43 -1.10 -1.70 114.38 121.72 2w50 h ARG 54 Ca 0.03 -0.09 0.02 0.00 -0.81 0.00 0.00 59.98 59.14 2w50 h ARG 54 Cb 1.08 -0.19 -0.03 0.00 -0.42 0.00 0.00 29.97 30.41 2w50 h ARG 54 CO 0.11 0.65 0.36 1.25 -1.51 0.00 0.00 179.97 180.84 2w50 h LEU 55 N 0.90 0.60 -0.96 3.80 5.85 -0.92 -1.47 115.31 123.11 2w50 h LEU 55 Ca 0.24 -0.00 0.02 0.00 0.84 0.00 0.00 57.88 58.97 2w50 h LEU 55 Cb -0.01 -0.13 -0.05 0.00 0.37 0.00 0.00 40.66 40.83 2w50 h LEU 55 CO -0.04 0.43 0.64 0.00 -0.34 0.00 0.00 178.44 179.12 2w50 h TYR 57 N 1.27 0.41 0.00 0.00 3.20 -0.91 -0.32 116.97 120.62 2w50 h TYR 57 Ca 0.37 -0.01 0.00 0.00 3.14 0.00 0.00 58.73 62.22 2w50 h TYR 57 Cb -0.09 -0.13 0.00 0.00 1.54 0.00 0.00 36.73 38.05 2w50 h TYR 57 CO -0.00 0.35 0.00 1.88 -1.64 0.00 0.00 178.16 178.75 2w50 h TYR 58 N 0.35 0.00 -0.01 -3.82 0.05 -0.20 -1.16 116.97 112.18 2w50 h TYR 58 Ca 0.10 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.88 2w50 h TYR 58 Cb 0.09 0.00 0.00 0.00 1.01 0.00 0.00 36.73 37.83 2w50 h TYR 58 CO -0.03 0.00 -0.20 1.28 -1.05 0.00 0.00 178.16 178.16 2w50 n LEU 59 N -3.02 0.82 0.00 3.88 4.77 0.07 -4.94 117.00 118.56 2w50 n LEU 59 Ca -0.02 -0.16 0.00 0.00 -0.03 0.00 0.00 56.01 55.81 2w50 n LEU 59 Cb 0.15 -0.15 0.00 0.00 -2.33 0.00 0.00 43.42 41.09 2w50 n LEU 59 CO 0.22 0.15 0.00 0.61 -1.33 0.00 0.00 177.39 177.04 2w50 n GLY 60 N 1.32 0.59 0.71 -0.72 0.00 -0.44 -3.56 105.19 103.10 2w50 n GLY 60 Ca 0.13 -0.38 0.08 0.00 0.00 0.00 0.00 46.02 45.85 2w50 n GLY 60 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2w50 n ALA 61 N 0.22 2.69 -2.54 4.61 0.00 -0.18 -4.44 120.51 120.87 2w50 n ALA 61 Ca 0.00 -2.00 -0.25 0.00 0.00 0.00 0.00 53.44 51.19 2w50 n ALA 61 Cb 0.00 -0.58 -0.09 0.00 0.00 0.00 0.00 19.45 18.78 2w50 n ALA 61 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 2w50 s THR 62 N -2.31 2.54 0.35 0.00 -4.23 -1.25 -4.61 115.64 106.12 2w50 s THR 62 Ca 0.35 -2.04 0.06 0.00 -1.18 0.00 0.00 61.69 58.87 2w50 s THR 62 Cb 0.27 -2.74 0.30 0.00 1.34 0.00 0.00 72.50 71.66 2w50 s THR 62 CO 0.10 -0.21 1.92 0.11 -0.54 0.00 0.00 174.62 176.00 2w50 h LYS 63 N 1.88 0.77 -0.52 3.99 1.57 -1.98 -1.98 116.57 120.30 2w50 h LYS 63 Ca -0.43 -0.05 0.00 0.00 -1.87 0.00 0.00 60.65 58.31 2w50 h LYS 63 Cb 1.25 -0.17 0.00 0.00 0.08 0.00 0.00 32.23 33.39 2w50 h LYS 63 CO 0.67 0.51 0.00 -0.40 -0.57 0.00 0.00 179.45 179.66 2w50 n ASP 64 N -4.50 2.64 -4.99 0.86 5.75 -1.26 -4.93 116.55 110.12 2w50 n ASP 64 Ca 0.13 -2.16 -0.18 0.00 -0.01 0.00 0.00 54.79 52.57 2w50 n ASP 64 Cb 0.29 -0.38 0.00 0.00 -1.03 0.00 0.00 41.12 40.01 2w50 n ASP 64 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2w50 s ALA 65 N -1.61 4.46 -0.33 2.12 0.00 -0.74 -5.06 121.76 120.59 2w50 s ALA 65 Ca 0.28 -1.71 -0.24 0.00 0.00 0.00 0.00 51.96 50.30 2w50 s ALA 65 Cb 0.17 -1.53 0.01 0.00 0.00 0.00 0.00 23.12 21.76 2w50 s ALA 65 CO 0.16 -0.28 0.81 0.00 0.00 0.00 0.00 175.76 176.45 2w50 s ALA 66 N -2.37 3.49 0.62 0.00 0.00 -1.26 -4.91 121.76 117.32 2w50 s ALA 66 Ca 0.54 -0.48 0.34 0.00 0.00 0.00 0.00 51.96 52.36 2w50 s ALA 66 Cb -0.09 -3.36 1.98 0.00 0.00 0.00 0.00 23.12 21.65 2w50 s ALA 66 CO 0.32 -1.34 2.25 1.79 0.00 0.00 0.00 175.76 178.78 2w50 h THR 67 N 5.67 0.33 -0.46 0.00 1.35 -1.95 -1.50 112.91 116.36 2w50 h THR 67 Ca -0.24 0.00 0.02 0.00 -0.55 0.00 0.00 66.41 65.64 2w50 h THR 67 Cb 1.09 0.96 -0.03 0.00 -1.73 0.00 0.00 68.15 68.44 2w50 h THR 67 CO 0.91 0.00 0.28 0.50 -0.25 0.00 0.00 175.52 176.96 2w50 h LYS 68 N 0.00 0.54 -0.38 4.72 3.64 -1.94 -1.20 116.57 121.96 2w50 h LYS 68 Ca 0.01 -0.03 -0.11 0.00 -1.27 0.00 0.00 60.65 59.25 2w50 h LYS 68 Cb 0.11 -0.12 -0.01 0.00 -0.41 0.00 0.00 32.23 31.80 2w50 h LYS 68 CO -0.00 0.36 -0.22 0.82 -2.27 0.00 0.00 179.45 178.14 2w50 h ILE 69 N 0.56 1.27 -0.90 2.00 2.04 -1.64 -2.76 117.51 118.08 2w50 h ILE 69 Ca 0.18 -1.32 0.04 0.00 1.00 0.00 0.00 64.86 64.77 2w50 h ILE 69 Cb 0.00 1.21 -0.05 0.00 -0.74 0.00 0.00 36.82 37.24 2w50 h ILE 69 CO -0.08 0.44 0.59 0.25 0.00 0.00 0.00 178.15 179.35 2w50 h LEU 70 N 0.65 0.96 -0.91 1.44 5.85 -0.99 -1.02 115.31 121.29 2w50 h LEU 70 Ca 0.09 -0.01 -0.08 0.00 0.84 0.00 0.00 57.88 58.73 2w50 h LEU 70 Cb 0.71 -0.22 -0.02 0.00 0.37 0.00 0.00 40.66 41.51 2w50 h LEU 70 CO 0.05 0.65 -0.04 0.28 -0.34 0.00 0.00 178.44 179.05 2w50 h SER 71 N 1.11 0.73 1.03 1.25 0.02 -0.96 -0.08 113.55 116.66 2w50 h SER 71 Ca 0.36 -0.19 -0.01 0.00 -0.84 0.00 0.00 61.79 61.12 2w50 h SER 71 Cb 0.05 -0.20 -0.00 0.00 0.14 0.00 0.00 62.40 62.39 2w50 h SER 71 CO -0.11 0.83 -0.04 -0.33 -1.14 0.00 0.00 176.83 176.04 2w50 h GLU 72 N 0.70 0.00 0.05 3.45 4.39 -0.96 -1.48 114.58 120.74 2w50 h GLU 72 Ca 0.13 0.00 -0.25 0.00 0.34 0.00 0.00 59.36 59.58 2w50 h GLU 72 Cb 0.49 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 29.12 2w50 h GLU 72 CO 0.03 0.04 -1.35 0.28 -1.16 0.00 0.00 179.01 176.84 2w50 h VAL 73 N 0.00 0.94 0.01 3.13 2.07 -0.85 -3.39 116.25 118.16 2w50 h VAL 73 Ca -0.00 -2.27 -0.19 0.00 0.82 0.00 0.00 66.70 65.06 2w50 h VAL 73 Cb 0.56 2.47 -0.02 0.00 -1.52 0.00 0.00 31.29 32.78 2w50 h VAL 73 CO 0.00 0.53 -0.90 0.71 0.02 0.00 0.00 177.57 177.94 2w50 h THR 74 N -0.63 1.62 -0.17 2.57 1.35 -0.93 -2.62 112.91 114.09 2w50 h THR 74 Ca -0.33 -3.00 -0.00 0.00 -0.55 0.00 0.00 66.41 62.53 2w50 h THR 74 Cb 1.53 2.64 -0.01 0.00 -1.73 0.00 0.00 68.15 70.58 2w50 h THR 74 CO -0.08 0.86 0.11 0.03 -0.25 0.00 0.00 175.52 176.19 2w50 h ARG 75 N 0.02 0.24 -0.07 4.72 3.08 -1.51 -1.29 114.38 119.57 2w50 h ARG 75 Ca -0.02 -0.02 -0.03 0.00 0.07 0.00 0.00 59.98 59.98 2w50 h ARG 75 Cb 1.58 -0.05 -0.01 0.00 0.08 0.00 0.00 29.97 31.58 2w50 h ARG 75 CO 0.12 0.19 -0.08 -1.35 -1.07 0.00 0.00 179.97 177.78 2w50 h PRO 76 N 0.21 0.09 -0.09 0.04 0.11 -1.75 -2.17 132.00 128.44 2w50 h PRO 76 Ca 0.06 -0.01 -0.05 0.00 0.11 0.00 0.00 66.00 66.10 2w50 h PRO 76 Cb 0.02 -0.02 -0.01 0.00 0.11 0.00 0.00 31.00 31.10 2w50 h PRO 76 CO -0.01 0.19 -0.19 0.52 -0.21 0.00 0.00 178.00 178.29 2w50 h MET 77 N 0.09 0.15 0.00 1.05 2.86 -1.01 -1.19 114.93 116.88 2w50 h MET 77 Ca 0.02 -0.04 0.00 0.00 -2.06 0.00 0.00 59.70 57.62 2w50 h MET 77 Cb 0.21 -0.02 0.00 0.00 0.06 0.00 0.00 31.60 31.85 2w50 h MET 77 CO 0.01 0.35 0.00 0.66 1.06 0.00 0.00 176.91 178.99 2w50 h SER 78 N 0.14 0.00 -0.19 1.22 4.64 -0.57 -0.58 113.55 118.21 2w50 h SER 78 Ca 0.03 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.35 2w50 h SER 78 Cb 0.43 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.52 2w50 h SER 78 CO 0.03 0.00 0.00 1.33 -0.87 0.00 0.00 176.83 177.32 2w50 n VAL 79 N -2.86 2.04 -3.07 0.95 0.24 -0.85 -4.97 118.33 109.80 2w50 n VAL 79 Ca -0.01 -1.89 -0.23 0.00 -2.04 0.00 0.00 64.34 60.18 2w50 n VAL 79 Cb 0.16 -0.17 0.04 0.00 -1.47 0.00 0.00 33.84 32.40 2w50 n VAL 79 CO 0.00 0.00 0.00 1.41 -2.14 0.00 0.00 176.83 176.10 2w50 n HIS 80 N -0.68 -2.06 -1.69 6.34 8.25 -0.23 -4.92 115.22 120.23 2w50 n HIS 80 Ca 0.18 0.57 -0.44 0.00 -0.26 0.00 0.00 57.72 57.78 2w50 n HIS 80 Cb 0.77 -4.58 -0.02 0.00 1.12 0.00 0.00 29.99 27.27 2w50 n HIS 80 CO 0.00 0.00 0.00 -0.12 0.64 0.00 0.00 176.34 176.86 2w50 n MET 81 N -4.14 2.22 -1.66 -0.41 0.00 -0.51 -4.87 117.12 107.75 2w50 n MET 81 Ca -0.10 0.79 -0.43 0.00 0.00 0.00 0.00 57.70 57.95 2w50 n MET 81 Cb 0.62 -2.47 -0.01 0.00 0.00 0.00 0.00 33.22 31.35 2w50 n MET 81 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 175.97 173.67 2w50 n PRO 82 N 1.93 1.87 -0.36 2.12 -0.02 -1.26 -4.77 135.00 134.51 2w50 n PRO 82 Ca 0.10 0.66 0.07 0.00 -2.02 0.00 0.00 63.50 62.31 2w50 n PRO 82 Cb 0.33 -2.17 0.23 0.00 -0.02 0.00 0.00 33.50 31.87 2w50 n PRO 82 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2w50 h ALA 83 N 2.43 1.51 -0.92 3.55 0.00 -1.90 -1.40 119.26 122.52 2w50 h ALA 83 Ca -0.44 0.02 0.03 0.00 0.00 0.00 0.00 54.91 54.52 2w50 h ALA 83 Cb 1.30 -0.22 -0.05 0.00 0.00 0.00 0.00 17.79 18.83 2w50 h ALA 83 CO 0.62 0.24 0.61 1.98 0.00 0.00 0.00 179.25 182.70 2w50 h MET 84 N 1.01 1.15 -0.36 0.00 1.85 -1.89 -1.22 114.93 115.47 2w50 h MET 84 Ca 0.49 -0.07 -0.12 0.00 -0.61 0.00 0.00 59.70 59.39 2w50 h MET 84 Cb 0.47 -0.26 -0.01 0.00 0.43 0.00 0.00 31.60 32.22 2w50 h MET 84 CO -0.26 0.76 -0.27 0.87 -0.40 0.00 0.00 176.91 177.61 2w50 h LYS 85 N 1.19 0.76 -0.09 0.39 1.57 -1.61 0.54 116.57 119.30 2w50 h LYS 85 Ca 0.36 -0.33 -0.00 0.00 -1.87 0.00 0.00 60.65 58.81 2w50 h LYS 85 Cb -0.04 -0.02 -0.00 0.00 0.08 0.00 0.00 32.23 32.24 2w50 h LYS 85 CO -0.10 0.94 0.04 0.82 -0.57 0.00 0.00 179.45 180.59 2w50 h ILE 86 N 0.65 1.12 -0.63 1.86 2.04 -1.09 -1.59 117.51 119.88 2w50 h ILE 86 Ca 0.08 -0.35 0.03 0.00 1.00 0.00 0.00 64.86 65.62 2w50 h ILE 86 Cb 0.79 1.18 -0.04 0.00 -0.74 0.00 0.00 36.82 38.01 2w50 h ILE 86 CO 0.07 0.10 0.39 0.00 0.00 0.00 0.00 178.15 178.71 2w50 h GLU 88 N 0.76 0.92 -0.42 0.00 4.39 -0.85 0.19 114.58 119.58 2w50 h GLU 88 Ca 0.25 -0.10 0.00 0.00 0.34 0.00 0.00 59.36 59.85 2w50 h GLU 88 Cb 0.02 -0.18 -0.02 0.00 -0.10 0.00 0.00 28.75 28.47 2w50 h GLU 88 CO -0.10 0.69 0.27 -0.22 -1.16 0.00 0.00 179.01 178.49 2w50 h LYS 89 N 0.93 0.55 0.00 2.33 3.64 -0.64 -2.96 116.57 120.42 2w50 h LYS 89 Ca 0.23 -0.04 -0.09 0.00 -1.27 0.00 0.00 60.65 59.48 2w50 h LYS 89 Cb 0.05 -0.12 -0.01 0.00 -0.41 0.00 0.00 32.23 31.73 2w50 h LYS 89 CO -0.04 0.38 -0.45 -0.07 -2.27 0.00 0.00 179.45 177.00 2w50 h LEU 90 N 0.56 0.00 -1.83 5.20 3.38 -0.55 -2.90 115.31 119.17 2w50 h LEU 90 Ca 0.15 0.00 0.08 0.00 0.09 0.00 0.00 57.88 58.21 2w50 h LEU 90 Cb -0.05 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.68 2w50 h LEU 90 CO -0.03 0.45 0.29 0.50 0.09 0.00 0.00 178.44 179.74 2w50 h LYS 91 N 0.00 0.20 0.00 1.13 3.64 -0.81 -0.66 116.57 120.07 2w50 h LYS 91 Ca -0.00 -0.01 -0.03 0.00 -1.27 0.00 0.00 60.65 59.33 2w50 h LYS 91 Cb 1.05 -0.04 -0.00 0.00 -0.41 0.00 0.00 32.23 32.82 2w50 h LYS 91 CO 0.06 0.13 -0.16 0.87 -2.27 0.00 0.00 179.45 178.07 2w50 h LYS 92 N 0.20 0.00 0.00 1.90 1.79 -1.55 -3.00 116.57 115.91 2w50 h LYS 92 Ca 0.19 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.66 2w50 h LYS 92 Cb 0.50 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.15 2w50 h LYS 92 CO -0.03 0.16 0.00 1.28 -1.08 0.00 0.00 179.45 179.78 2w50 n LEU 93 N -3.55 1.32 -3.97 2.94 4.77 -0.27 -4.85 117.00 113.39 2w50 n LEU 93 Ca -0.01 0.31 -0.30 0.00 -0.03 0.00 0.00 56.01 55.98 2w50 n LEU 93 Cb 0.31 -0.25 -0.16 0.00 -2.33 0.00 0.00 43.42 40.99 2w50 n LEU 93 CO 0.31 -0.25 -0.44 -0.62 -1.33 0.00 0.00 177.39 175.06 2w50 s ASP 94 N -2.00 3.70 0.46 -1.43 -1.08 -1.13 -5.01 116.67 110.18 2w50 s ASP 94 Ca 0.00 -1.07 0.31 0.00 -0.52 0.00 0.00 52.55 51.27 2w50 s ASP 94 Cb 0.00 -1.23 1.45 0.00 -1.46 0.00 0.00 42.92 41.68 2w50 s ASP 94 CO 0.00 -0.19 1.94 0.77 0.52 0.00 0.00 175.17 178.20 2w50 h SER 95 N 7.95 0.00 -0.08 -0.34 4.64 -1.78 -2.93 113.55 121.01 2w50 h SER 95 Ca -0.22 0.00 0.02 0.00 -0.47 0.00 0.00 61.79 61.12 2w50 h SER 95 Cb 1.08 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.17 2w50 h SER 95 CO 0.44 0.00 0.10 -0.61 -0.87 0.00 0.00 176.83 175.90 2w50 h GLN 96 N 0.00 0.00 -0.76 4.77 5.75 -1.94 -1.59 115.11 121.34 2w50 h GLN 96 Ca 0.00 0.00 0.10 0.00 -0.15 0.00 0.00 58.65 58.60 2w50 h GLN 96 Cb 0.29 0.00 -0.05 0.00 1.07 0.00 0.00 27.48 28.79 2w50 h GLN 96 CO 0.00 0.00 0.50 0.97 -2.65 0.00 0.00 178.83 177.65 2w50 h ILE 97 N 0.00 0.93 -0.02 2.39 2.10 -1.88 -1.88 117.51 119.16 2w50 h ILE 97 Ca 0.04 -0.22 0.00 0.00 1.08 0.00 0.00 64.86 65.75 2w50 h ILE 97 Cb 0.25 0.22 0.00 0.00 -1.09 0.00 0.00 36.82 36.19 2w50 h ILE 97 CO -0.00 0.12 -0.09 0.00 -1.08 0.00 0.00 178.15 177.10 2w50 n GLU 99 N 0.38 0.46 -1.74 0.00 -0.58 -0.72 -2.31 120.64 116.13 2w50 n GLU 99 Ca 0.15 -0.38 -0.41 0.00 -0.42 0.00 0.00 57.16 56.10 2w50 n GLU 99 Cb 0.44 -1.49 0.00 0.00 -0.57 0.00 0.00 31.44 29.82 2w50 n GLU 99 CO 0.00 0.00 0.00 1.28 -0.48 0.00 0.00 177.13 177.93 2w50 n LEU 100 N -0.94 4.37 -3.97 -4.62 4.77 -1.15 -5.03 117.00 110.43 2w50 n LEU 100 Ca 0.06 1.19 -0.14 0.00 -0.03 0.00 0.00 56.01 57.09 2w50 n LEU 100 Cb 0.38 -1.56 -0.14 0.00 -2.33 0.00 0.00 43.42 39.77 2w50 n LEU 100 CO 0.37 -0.17 -0.39 -0.54 -1.33 0.00 0.00 177.39 175.33 2w50 s LYS 101 N -2.09 0.38 0.66 3.23 1.02 -1.26 -4.55 119.74 117.13 2w50 s LYS 101 Ca 0.56 -0.30 -0.15 0.00 0.02 0.00 0.00 55.97 56.10 2w50 s LYS 101 Cb -0.50 -0.30 0.00 0.00 -0.52 0.00 0.00 37.83 36.51 2w50 s LYS 101 CO 0.62 0.08 1.12 0.71 -0.92 0.00 0.00 175.35 176.96 2w50 s TYR 102 N -0.43 2.55 0.10 3.18 2.02 -1.26 -4.94 117.35 118.58 2w50 s TYR 102 Ca -0.02 1.56 -0.36 0.00 -0.37 0.00 0.00 57.07 57.88 2w50 s TYR 102 Cb -0.04 -3.21 -0.17 0.00 -0.40 0.00 0.00 41.96 38.14 2w50 s TYR 102 CO -0.00 -1.79 1.30 -1.91 -1.57 0.00 0.00 175.55 171.57 2w50 n GLU 103 N -2.39 1.12 -0.03 -0.62 2.13 -1.26 -4.89 120.64 114.70 2w50 n GLU 103 Ca 0.11 0.40 -0.07 0.00 0.66 0.00 0.00 57.16 58.26 2w50 n GLU 103 Cb 0.52 -2.01 0.11 0.00 0.27 0.00 0.00 31.44 30.33 2w50 n GLU 103 CO 0.00 0.00 0.00 -0.22 -0.41 0.00 0.00 177.13 176.50 2w50 h LYS 104 N 4.27 0.62 -6.06 5.31 3.64 -2.07 -3.48 116.57 118.80 2w50 h LYS 104 Ca -0.47 -0.28 0.00 0.00 -1.27 0.00 0.00 60.65 58.63 2w50 h LYS 104 Cb 1.34 -0.01 0.00 0.00 -0.41 0.00 0.00 32.23 33.15 2w50 h LYS 104 CO 0.76 0.86 -0.68 -2.37 -2.27 0.00 0.00 179.45 175.75 2w50 n THR 105 N -4.07 -1.63 0.00 1.00 5.66 -1.26 -5.33 114.28 108.64 2w50 n THR 105 Ca -0.01 0.34 0.00 0.00 -3.05 0.00 0.00 64.05 61.33 2w50 n THR 105 Cb 0.47 -2.73 0.00 0.00 -1.55 0.00 0.00 70.33 66.53 2w50 n THR 105 CO 0.00 0.00 0.00 0.18 -3.05 0.00 0.00 175.07 172.20