#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3lor h ASP 5 N 0.00 0.28 -0.23 -1.43 5.19 -2.04 -3.09 116.42 115.10 3lor h ASP 5 Ca 0.00 -0.05 0.00 0.00 -0.62 0.00 0.00 57.03 56.36 3lor h ASP 5 Cb 0.00 -0.07 0.00 0.00 0.18 0.00 0.00 39.33 39.44 3lor h ASP 5 CO 0.00 0.41 0.00 0.59 -3.12 0.00 0.00 179.24 177.12 3lor n ASN 6 N -4.29 2.70 -4.71 6.45 5.03 -1.26 -4.97 115.26 114.21 3lor n ASN 6 Ca -0.00 -1.80 -0.42 0.00 0.87 0.00 0.00 54.58 53.23 3lor n ASN 6 Cb 0.25 -0.15 -0.03 0.00 -1.02 0.00 0.00 39.78 38.84 3lor n ASN 6 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 3lor s ALA 7 N -1.11 3.88 0.54 5.41 0.00 -1.17 -4.89 121.76 124.42 3lor s ALA 7 Ca 0.23 1.52 -0.20 0.00 0.00 0.00 0.00 51.96 53.52 3lor s ALA 7 Cb 0.14 -3.69 -0.06 0.00 0.00 0.00 0.00 23.12 19.51 3lor s ALA 7 CO 0.19 -0.95 1.16 -1.25 0.00 0.00 0.00 175.76 174.91 3lor s PRO 8 N 1.45 3.36 0.33 0.00 0.04 -1.26 -4.72 135.00 134.19 3lor s PRO 8 Ca 0.75 1.72 -0.26 0.00 0.04 0.00 0.00 61.00 63.24 3lor s PRO 8 Cb -0.48 -2.09 -0.09 0.00 0.04 0.00 0.00 34.50 31.88 3lor s PRO 8 CO 0.33 -0.87 1.00 -0.51 0.04 0.00 0.00 177.00 176.99 3lor s LEU 9 N -3.67 4.35 -0.10 -3.56 1.43 -1.26 -1.61 118.68 114.25 3lor s LEU 9 Ca 0.72 1.98 -0.30 0.00 -1.03 0.00 0.00 54.13 55.50 3lor s LEU 9 Cb -0.27 -3.95 -0.03 0.00 0.03 0.00 0.00 46.19 41.97 3lor s LEU 9 CO 0.31 -0.18 1.34 -0.22 0.23 0.00 0.00 176.35 177.83 3lor s LEU 10 N -2.02 4.24 -0.04 1.79 2.96 0.10 -4.87 118.68 120.84 3lor s LEU 10 Ca 0.50 1.87 0.00 0.00 -0.22 0.00 0.00 54.13 56.28 3lor s LEU 10 Cb -0.23 -3.54 0.03 0.00 0.50 0.00 0.00 46.19 42.95 3lor s LEU 10 CO 0.29 -0.75 0.01 -0.70 -1.32 0.00 0.00 176.35 173.87 3lor s GLU 11 N 3.20 0.31 -0.11 1.98 -6.30 -1.26 -5.05 118.70 111.47 3lor s GLU 11 Ca 0.59 0.10 -0.03 0.00 -2.50 0.00 0.00 54.97 53.13 3lor s GLU 11 Cb -0.26 -0.55 -0.03 0.00 0.00 0.00 0.00 34.13 33.29 3lor s GLU 11 CO 0.20 -0.17 0.01 -0.51 0.02 0.00 0.00 175.26 174.81 3lor s LEU 12 N 1.23 3.57 -0.30 2.70 1.43 -1.26 -5.03 118.68 121.02 3lor s LEU 12 Ca -0.07 0.09 -0.09 0.00 -1.03 0.00 0.00 54.13 53.03 3lor s LEU 12 Cb -0.13 -1.84 -0.01 0.00 0.03 0.00 0.00 46.19 44.24 3lor s LEU 12 CO -0.02 0.31 0.13 -1.81 0.23 0.00 0.00 176.35 175.19 3lor s ASP 13 N -0.45 5.43 -0.07 2.29 1.01 -1.26 -5.06 116.67 118.56 3lor s ASP 13 Ca 0.08 -0.51 0.02 0.00 0.71 0.00 0.00 52.55 52.85 3lor s ASP 13 Cb -0.12 -1.97 0.01 0.00 1.01 0.00 0.00 42.92 41.85 3lor s ASP 13 CO 0.02 -0.17 -0.12 -0.69 0.21 0.00 0.00 175.17 174.42 3lor s VAL 14 N 1.60 1.16 0.04 -1.27 1.01 -1.26 -4.38 120.40 117.29 3lor s VAL 14 Ca 0.04 -0.47 -0.24 0.00 0.00 0.00 0.00 61.98 61.31 3lor s VAL 14 Cb -0.17 -1.07 -0.17 0.00 0.00 0.00 0.00 36.38 34.97 3lor s VAL 14 CO 0.05 0.36 1.51 -0.61 0.00 0.00 0.00 175.10 176.42 3lor h GLN 15 N 7.13 0.01 -2.37 2.72 4.15 -1.21 -3.48 115.11 122.05 3lor h GLN 15 Ca -0.31 -0.00 -0.04 0.00 0.77 0.00 0.00 58.65 59.07 3lor h GLN 15 Cb 1.18 -0.00 -0.16 0.00 0.21 0.00 0.00 27.48 28.71 3lor h GLN 15 CO 0.47 0.24 0.21 -1.83 -1.93 0.00 0.00 178.83 175.99 3lor s GLU 16 N -5.24 1.13 -0.34 1.69 -1.05 -1.25 -5.01 118.70 108.62 3lor s GLU 16 Ca -0.14 -0.03 -0.13 0.00 -0.15 0.00 0.00 54.97 54.51 3lor s GLU 16 Cb 0.04 0.53 -0.02 0.00 -0.44 0.00 0.00 34.13 34.24 3lor s GLU 16 CO 0.67 -0.41 0.26 -1.58 0.95 0.00 0.00 175.26 175.14 3lor s TRP 17 N -2.20 3.23 0.08 4.83 0.52 -1.26 -1.27 118.94 122.87 3lor s TRP 17 Ca -0.06 -0.17 -0.16 0.00 0.02 0.00 0.00 56.10 55.73 3lor s TRP 17 Cb -0.00 -2.51 -0.14 0.00 -1.15 0.00 0.00 33.47 29.67 3lor s TRP 17 CO 0.01 -0.37 1.32 0.28 0.02 0.00 0.00 176.95 178.21 3lor h VAL 18 N 5.50 1.33 0.00 4.03 2.07 -1.73 -3.38 116.25 124.06 3lor h VAL 18 Ca -0.31 -1.68 0.00 0.00 0.82 0.00 0.00 66.70 65.53 3lor h VAL 18 Cb 1.16 1.90 0.00 0.00 -1.52 0.00 0.00 31.29 32.83 3lor h VAL 18 CO 0.64 0.52 -0.04 -0.46 0.02 0.00 0.00 177.57 178.26 3lor n ASN 19 N -4.21 1.69 -3.59 0.57 6.94 -1.26 -5.02 115.26 110.38 3lor n ASN 19 Ca -0.06 -2.18 -0.12 0.00 -0.02 0.00 0.00 54.58 52.20 3lor n ASN 19 Cb 0.56 -0.14 -0.05 0.00 -2.36 0.00 0.00 39.78 37.80 3lor n ASN 19 CO 0.00 0.00 0.00 -2.28 -1.03 0.00 0.00 177.26 173.95 3lor s HIS 20 N -1.33 -0.33 0.56 -2.53 5.04 -1.26 -4.92 115.29 110.52 3lor s HIS 20 Ca 0.09 0.19 -0.20 0.00 -1.54 0.00 0.00 55.06 53.60 3lor s HIS 20 Cb 0.08 0.32 -0.04 0.00 0.04 0.00 0.00 32.58 32.98 3lor s HIS 20 CO 0.01 -0.68 1.27 -1.83 -2.34 0.00 0.00 174.74 171.16 3lor s GLU 21 N -3.14 3.10 0.40 2.88 1.03 -1.26 -4.74 118.70 116.97 3lor s GLU 21 Ca -0.01 2.00 -0.26 0.00 0.03 0.00 0.00 54.97 56.72 3lor s GLU 21 Cb 0.00 -2.11 -0.09 0.00 -0.80 0.00 0.00 34.13 31.13 3lor s GLU 21 CO -0.07 -1.15 1.26 0.20 -1.33 0.00 0.00 175.26 174.17 3lor s GLY 22 N -1.30 2.92 0.66 -3.83 0.00 -1.26 -5.02 107.32 99.49 3lor s GLY 22 Ca 0.74 1.15 -0.11 0.00 0.00 0.00 0.00 44.72 46.50 3lor s GLY 22 CO 0.39 1.72 1.05 1.08 0.00 0.00 0.00 173.10 177.34 3lor s LEU 23 N -2.39 3.14 0.31 0.66 1.43 -1.26 -5.09 118.68 115.48 3lor s LEU 23 Ca 0.56 1.46 0.08 0.00 -1.03 0.00 0.00 54.13 55.20 3lor s LEU 23 Cb -0.36 -4.40 -0.06 0.00 0.03 0.00 0.00 46.19 41.40 3lor s LEU 23 CO 0.46 -1.17 -0.08 -0.94 0.23 0.00 0.00 176.35 174.85 3lor s SER 24 N -4.05 3.30 0.34 2.29 1.04 -1.26 -5.03 113.70 110.34 3lor s SER 24 Ca 0.57 -1.19 0.05 0.00 0.48 0.00 0.00 55.95 55.86 3lor s SER 24 Cb -0.12 -0.27 0.63 0.00 0.10 0.00 0.00 66.02 66.36 3lor s SER 24 CO 0.54 -0.26 1.88 0.78 0.98 0.00 0.00 173.24 177.16 3lor h ASN 25 N 2.14 0.43 -0.75 7.02 2.35 -1.98 -2.29 115.58 122.50 3lor h ASN 25 Ca -0.41 -0.09 -0.04 0.00 -0.55 0.00 0.00 56.30 55.22 3lor h ASN 25 Cb 1.24 -0.11 -0.03 0.00 0.05 0.00 0.00 38.32 39.47 3lor h ASN 25 CO 0.69 0.53 0.33 -0.33 -1.65 0.00 0.00 177.43 176.99 3lor h GLU 26 N 0.44 1.11 -0.81 0.81 4.39 -1.96 -2.21 114.58 116.35 3lor h GLU 26 Ca 0.09 -0.19 0.04 0.00 0.34 0.00 0.00 59.36 59.64 3lor h GLU 26 Cb 0.35 -0.19 -0.05 0.00 -0.10 0.00 0.00 28.75 28.77 3lor h GLU 26 CO 0.01 0.89 0.53 -0.44 -1.16 0.00 0.00 179.01 178.85 3lor h ASP 27 N 1.07 0.86 0.10 1.42 3.32 -1.82 -2.59 116.42 118.78 3lor h ASP 27 Ca 0.25 -0.01 -0.13 0.00 0.02 0.00 0.00 57.03 57.16 3lor h ASP 27 Cb 0.17 -0.20 -0.01 0.00 0.22 0.00 0.00 39.33 39.52 3lor h ASP 27 CO -0.03 0.59 -0.46 -0.07 -1.72 0.00 0.00 179.24 177.55 3lor h LEU 28 N 0.99 0.47 -9.93 1.55 3.38 -1.19 -3.47 115.31 107.12 3lor h LEU 28 Ca 0.33 -0.22 -0.52 0.00 0.09 0.00 0.00 57.88 57.56 3lor h LEU 28 Cb 0.06 -0.13 0.06 0.00 0.09 0.00 0.00 40.66 40.74 3lor h LEU 28 CO -0.10 0.87 0.56 -0.13 0.09 0.00 0.00 178.44 179.73 3lor s ARG 29 N -4.10 4.09 0.00 1.13 1.81 -0.98 -1.79 118.95 119.11 3lor s ARG 29 Ca -0.06 2.01 0.00 0.00 -1.72 0.00 0.00 55.73 55.96 3lor s ARG 29 Cb 0.12 -2.78 0.00 0.00 -0.45 0.00 0.00 34.95 31.84 3lor s ARG 29 CO 0.81 -0.34 0.00 0.41 -0.68 0.00 0.00 175.30 175.50 3lor n GLY 30 N 0.71 1.07 3.30 -3.53 0.00 -0.47 -5.04 105.19 101.23 3lor n GLY 30 Ca 0.03 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.79 3lor n GLY 30 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3lor s LYS 31 N -0.34 1.32 0.21 1.61 3.01 -0.74 -4.88 119.74 119.92 3lor s LYS 31 Ca 0.00 -1.14 -0.30 0.00 -1.01 0.00 0.00 55.97 53.53 3lor s LYS 31 Cb 0.00 -1.58 -0.08 0.00 -1.01 0.00 0.00 37.83 35.16 3lor s LYS 31 CO 0.00 0.38 0.99 0.08 0.51 0.00 0.00 175.35 177.31 3lor s VAL 32 N -1.01 4.04 -0.14 3.17 1.01 -0.21 -3.56 120.40 123.70 3lor s VAL 32 Ca 0.09 1.93 -0.01 0.00 0.00 0.00 0.00 61.98 63.99 3lor s VAL 32 Cb -0.10 -4.23 -0.02 0.00 0.00 0.00 0.00 36.38 32.04 3lor s VAL 32 CO 0.04 0.41 -0.11 -0.69 0.00 0.00 0.00 175.10 174.75 3lor s VAL 33 N -0.81 3.20 -0.21 2.92 1.01 -0.20 -1.22 120.40 125.09 3lor s VAL 33 Ca 0.44 -0.60 -0.03 0.00 0.00 0.00 0.00 61.98 61.79 3lor s VAL 33 Cb -0.27 -2.37 -0.01 0.00 0.00 0.00 0.00 36.38 33.74 3lor s VAL 33 CO 0.33 0.51 -0.06 -0.69 0.00 0.00 0.00 175.10 175.19 3lor s VAL 34 N 0.49 3.26 -0.23 2.92 1.01 -0.54 -1.47 120.40 125.83 3lor s VAL 34 Ca -0.08 -0.53 -0.05 0.00 0.00 0.00 0.00 61.98 61.31 3lor s VAL 34 Cb -0.15 -2.47 -0.02 0.00 0.00 0.00 0.00 36.38 33.74 3lor s VAL 34 CO 0.04 0.44 0.01 -0.69 0.00 0.00 0.00 175.10 174.90 3lor s VAL 35 N 1.41 3.83 -0.32 2.92 1.01 -0.06 -0.75 120.40 128.44 3lor s VAL 35 Ca 0.05 -0.34 -0.12 0.00 0.00 0.00 0.00 61.98 61.57 3lor s VAL 35 Cb -0.14 -2.76 -0.02 0.00 0.00 0.00 0.00 36.38 33.45 3lor s VAL 35 CO -0.04 0.39 0.21 -0.70 0.00 0.00 0.00 175.10 174.97 3lor s GLU 36 N 1.47 3.55 -0.30 2.72 2.56 0.55 -1.25 118.70 128.00 3lor s GLU 36 Ca 0.05 -0.60 -0.10 0.00 0.00 0.00 0.00 54.97 54.33 3lor s GLU 36 Cb -0.15 -3.73 -0.02 0.00 2.00 0.00 0.00 34.13 32.23 3lor s GLU 36 CO 0.00 -0.39 0.15 0.08 -0.56 0.00 0.00 175.26 174.54 3lor s VAL 37 N 1.71 4.69 0.09 3.70 1.01 0.34 0.06 120.40 131.99 3lor s VAL 37 Ca 0.06 -0.29 -0.02 0.00 0.00 0.00 0.00 61.98 61.73 3lor s VAL 37 Cb -0.17 -3.34 -0.04 0.00 0.00 0.00 0.00 36.38 32.83 3lor s VAL 37 CO 0.10 0.13 0.03 0.72 0.00 0.00 0.00 175.10 176.08 3lor s PHE 38 N 1.64 0.63 0.00 5.22 -0.12 -0.72 -1.89 117.98 122.73 3lor s PHE 38 Ca 0.05 -1.09 0.00 0.00 -0.05 0.00 0.00 56.93 55.84 3lor s PHE 38 Cb -0.17 -0.39 0.00 0.00 -0.63 0.00 0.00 43.02 41.84 3lor s PHE 38 CO 0.07 -0.46 0.00 1.04 -0.05 0.00 0.00 175.22 175.82 3lor n GLN 39 N 0.00 3.47 0.00 1.99 6.02 -1.26 -2.13 117.38 125.47 3lor n GLN 39 Ca -0.10 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.89 3lor n GLN 39 Cb 0.62 0.00 0.00 0.00 1.02 0.00 0.00 30.24 31.88 3lor n GLN 39 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 177.06 177.33 3lor n LEU 41 N 0.00 0.00 -4.64 1.08 4.77 -1.26 -4.70 117.00 112.25 3lor n LEU 41 Ca 0.00 0.00 -0.37 0.00 -0.03 0.00 0.00 56.01 55.61 3lor n LEU 41 Cb 0.00 0.00 -0.10 0.00 -2.33 0.00 0.00 43.42 40.99 3lor n LEU 41 CO 0.00 0.00 -0.15 0.00 -1.33 0.00 0.00 177.39 175.91 3lor h PRO 43 N 7.75 1.24 -0.84 0.00 0.11 -1.96 -1.24 132.00 137.06 3lor h PRO 43 Ca -0.37 -0.14 -0.03 0.00 0.11 0.00 0.00 66.00 65.57 3lor h PRO 43 Cb 1.17 -0.25 -0.04 0.00 0.11 0.00 0.00 31.00 32.00 3lor h PRO 43 CO 0.63 0.90 0.39 0.78 -0.21 0.00 0.00 178.00 180.50 3lor h GLY 44 N 1.24 1.30 0.78 -0.55 0.00 -1.93 -0.65 103.07 103.27 3lor h GLY 44 Ca 0.31 -0.65 -0.02 0.00 0.00 0.00 0.00 47.33 46.98 3lor h GLY 44 CO -0.05 0.62 0.01 0.00 0.00 0.00 0.00 176.54 177.12 3lor h VAL 46 N -0.04 1.26 -0.11 0.00 2.07 -1.19 0.17 116.25 118.40 3lor h VAL 46 Ca 0.03 -0.95 -0.11 0.00 0.82 0.00 0.00 66.70 66.49 3lor h VAL 46 Cb 0.32 1.41 -0.01 0.00 -1.52 0.00 0.00 31.29 31.49 3lor h VAL 46 CO 0.00 0.30 -0.44 0.78 0.02 0.00 0.00 177.57 178.23 3lor h ASN 47 N 0.20 0.28 0.00 0.57 2.35 -1.23 -3.41 115.58 114.34 3lor h ASN 47 Ca 0.07 -0.13 0.00 0.00 -0.55 0.00 0.00 56.30 55.69 3lor h ASN 47 Cb 0.44 -0.08 0.00 0.00 0.05 0.00 0.00 38.32 38.74 3lor h ASN 47 CO 0.02 0.69 0.00 1.57 -1.65 0.00 0.00 177.43 178.06 3lor n HIS 48 N -4.00 -0.91 -0.06 1.19 -0.00 -0.83 -4.83 115.22 105.79 3lor n HIS 48 Ca -0.02 0.16 -0.11 0.00 0.46 0.00 0.00 57.72 58.22 3lor n HIS 48 Cb 0.50 0.24 -0.04 0.00 -0.12 0.00 0.00 29.99 30.57 3lor n HIS 48 CO 0.00 0.00 0.00 0.78 0.46 0.00 0.00 176.34 177.58 3lor h GLY 49 N 0.00 0.32 0.94 1.57 0.00 -1.18 -2.34 103.07 102.38 3lor h GLY 49 Ca 0.00 -0.17 -0.02 0.00 0.00 0.00 0.00 47.33 47.14 3lor h GLY 49 CO 0.00 0.16 0.15 -2.08 0.00 0.00 0.00 176.54 174.77 3lor h VAL 50 N 0.18 1.19 -0.49 4.60 2.07 -1.24 -2.19 116.25 120.37 3lor h VAL 50 Ca 0.07 -0.57 -0.02 0.00 0.82 0.00 0.00 66.70 66.99 3lor h VAL 50 Cb 0.16 0.88 -0.02 0.00 -1.52 0.00 0.00 31.29 30.78 3lor h VAL 50 CO -0.01 0.21 0.20 1.55 0.02 0.00 0.00 177.57 179.54 3lor h PRO 51 N 0.45 0.69 -0.64 1.57 0.13 -1.78 -0.85 132.00 131.58 3lor h PRO 51 Ca 0.12 -0.09 -0.03 0.00 -0.87 0.00 0.00 66.00 65.13 3lor h PRO 51 Cb 0.18 -0.13 -0.03 0.00 0.13 0.00 0.00 31.00 31.15 3lor h PRO 51 CO -0.01 0.56 0.27 0.37 -0.23 0.00 0.00 178.00 178.96 3lor h GLN 52 N 0.69 0.94 -0.60 0.86 4.15 -1.35 -1.40 115.11 118.41 3lor h GLN 52 Ca 0.17 -0.16 -0.07 0.00 0.77 0.00 0.00 58.65 59.36 3lor h GLN 52 Cb 0.12 -0.16 -0.03 0.00 0.21 0.00 0.00 27.48 27.63 3lor h GLN 52 CO -0.02 0.78 0.10 0.00 -1.93 0.00 0.00 178.83 177.76 3lor h ALA 53 N 1.11 1.04 -0.65 3.38 0.00 -0.71 -2.34 119.26 121.09 3lor h ALA 53 Ca 0.21 -0.25 -0.03 0.00 0.00 0.00 0.00 54.91 54.85 3lor h ALA 53 Cb 0.18 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 17.71 3lor h ALA 53 CO -0.02 0.61 0.30 1.96 0.00 0.00 0.00 179.25 182.10 3lor h GLN 54 N 0.91 0.95 -0.74 0.00 4.20 -1.02 -1.58 115.11 117.83 3lor h GLN 54 Ca 0.19 -0.15 -0.00 0.00 0.06 0.00 0.00 58.65 58.74 3lor h GLN 54 Cb 0.40 -0.17 -0.04 0.00 0.30 0.00 0.00 27.48 27.98 3lor h GLN 54 CO 0.01 0.77 0.45 -0.22 -0.67 0.00 0.00 178.83 179.17 3lor h LYS 55 N 0.91 1.01 -0.45 1.46 3.64 -1.06 -1.45 116.57 120.63 3lor h LYS 55 Ca 0.22 -0.09 -0.02 0.00 -1.27 0.00 0.00 60.65 59.50 3lor h LYS 55 Cb 0.15 -0.21 -0.02 0.00 -0.41 0.00 0.00 32.23 31.73 3lor h LYS 55 CO -0.03 0.71 0.22 0.82 -2.27 0.00 0.00 179.45 178.91 3lor h ILE 56 N 1.02 1.18 -0.82 2.00 2.04 -1.09 -2.94 117.51 118.89 3lor h ILE 56 Ca 0.27 -0.51 -0.02 0.00 1.00 0.00 0.00 64.86 65.60 3lor h ILE 56 Cb -0.04 0.69 -0.04 0.00 -0.74 0.00 0.00 36.82 36.70 3lor h ILE 56 CO -0.05 0.20 0.45 -0.74 0.00 0.00 0.00 178.15 178.01 3lor h HIS 57 N 0.58 1.13 0.00 1.37 2.76 -0.89 -1.76 115.15 118.35 3lor h HIS 57 Ca 0.15 -0.03 0.00 0.00 -2.20 0.00 0.00 60.37 58.30 3lor h HIS 57 Cb 0.12 -0.36 0.00 0.00 1.55 0.00 0.00 27.41 28.72 3lor h HIS 57 CO -0.01 0.79 0.00 0.54 -1.30 0.00 0.00 177.93 177.95 3lor n ARG 58 N -4.40 0.30 -0.24 5.26 1.74 -0.58 -4.75 116.66 113.98 3lor n ARG 58 Ca 0.08 0.00 -0.10 0.00 -0.77 0.00 0.00 57.85 57.06 3lor n ARG 58 Cb 0.10 -1.07 -0.01 0.00 -1.02 0.00 0.00 32.46 30.45 3lor n ARG 58 CO 0.00 0.00 0.00 -0.89 -1.52 0.00 0.00 177.63 175.22 3lor n ILE 60 N -0.07 0.00 -2.00 0.55 5.41 -0.66 -5.10 119.36 117.49 3lor n ILE 60 Ca 0.00 0.00 -0.37 0.00 1.00 0.00 0.00 62.75 63.38 3lor n ILE 60 Cb 0.04 -0.00 0.03 0.00 -0.71 0.00 0.00 39.64 38.99 3lor n ILE 60 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 176.55 175.93 3lor s ASP 61 N 0.02 5.37 0.37 4.38 2.15 -1.26 -4.75 116.67 122.94 3lor s ASP 61 Ca 0.15 2.47 0.27 0.00 0.43 0.00 0.00 52.55 55.87 3lor s ASP 61 Cb -0.21 -2.61 1.26 0.00 -0.30 0.00 0.00 42.92 41.07 3lor s ASP 61 CO 0.09 -1.48 1.82 -0.33 -0.17 0.00 0.00 175.17 175.10 3lor h GLU 62 N 1.22 0.00 0.00 4.34 5.08 -1.90 -0.55 114.58 122.77 3lor h GLU 62 Ca -0.50 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.86 3lor h GLU 62 Cb 1.29 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.54 3lor h GLU 62 CO 0.56 0.00 0.00 0.66 -1.00 0.00 0.00 179.01 179.23 3lor h SER 63 N 0.00 0.00 0.00 1.42 4.64 -1.99 -3.36 113.55 114.26 3lor h SER 63 Ca 0.00 0.00 -0.22 0.00 -0.47 0.00 0.00 61.79 61.10 3lor h SER 63 Cb 0.25 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 62.31 3lor h SER 63 CO 0.00 0.00 -1.73 0.00 -0.87 0.00 0.00 176.83 174.23 3lor n GLN 64 N -2.77 0.28 -4.55 4.77 1.13 -0.28 -4.79 117.38 111.18 3lor n GLN 64 Ca 0.00 0.12 -0.23 0.00 -1.94 0.00 0.00 57.00 54.95 3lor n GLN 64 Cb 0.22 -0.99 -0.16 0.00 0.11 0.00 0.00 30.24 29.42 3lor n GLN 64 CO 0.00 0.00 0.00 0.08 -1.44 0.00 0.00 177.06 175.70 3lor s VAL 65 N -2.24 1.05 -0.22 5.09 1.01 -0.83 -1.04 120.40 123.22 3lor s VAL 65 Ca -0.18 -0.47 -0.07 0.00 0.00 0.00 0.00 61.98 61.26 3lor s VAL 65 Cb 0.07 -0.94 -0.03 0.00 0.00 0.00 0.00 36.38 35.47 3lor s VAL 65 CO 0.23 0.33 0.05 -1.58 0.00 0.00 0.00 175.10 174.13 3lor s GLN 66 N 0.40 3.73 -0.12 2.72 2.00 -0.36 -3.86 119.66 124.18 3lor s GLN 66 Ca -0.09 -0.46 -0.13 0.00 -2.00 0.00 0.00 55.36 52.68 3lor s GLN 66 Cb -0.13 -3.22 -0.05 0.00 0.80 0.00 0.00 33.01 30.41 3lor s GLN 66 CO 0.02 -0.01 0.31 0.08 -0.50 0.00 0.00 175.29 175.20 3lor s VAL 67 N 1.11 5.26 -0.08 1.34 1.01 -1.26 -1.47 120.40 126.30 3lor s VAL 67 Ca 0.04 0.60 0.03 0.00 0.00 0.00 0.00 61.98 62.64 3lor s VAL 67 Cb -0.14 -3.63 0.01 0.00 0.00 0.00 0.00 36.38 32.61 3lor s VAL 67 CO 0.03 0.46 -0.16 -0.63 0.00 0.00 0.00 175.10 174.79 3lor s ILE 68 N -0.05 1.46 0.13 2.22 1.01 0.07 -4.19 121.20 121.84 3lor s ILE 68 Ca 0.19 -0.66 -0.28 0.00 0.00 0.00 0.00 60.65 59.90 3lor s ILE 68 Cb -0.14 -1.31 -0.07 0.00 0.01 0.00 0.00 42.46 40.96 3lor s ILE 68 CO 0.06 0.43 0.86 -0.83 0.00 0.00 0.00 174.94 175.47 3lor s GLY 69 N 0.64 2.95 -0.23 6.18 0.00 -0.27 -0.33 107.32 116.26 3lor s GLY 69 Ca -0.14 0.45 0.00 0.00 0.00 0.00 0.00 44.72 45.03 3lor s GLY 69 CO 0.04 1.19 -0.04 -2.27 0.00 0.00 0.00 173.10 172.02 3lor s LEU 70 N -0.46 2.35 -0.54 0.66 2.96 0.11 -0.99 118.68 122.78 3lor s LEU 70 Ca 0.41 -1.13 -0.25 0.00 -0.22 0.00 0.00 54.13 52.94 3lor s LEU 70 Cb -0.23 -1.08 0.04 0.00 0.50 0.00 0.00 46.19 45.42 3lor s LEU 70 CO 0.27 -0.25 0.97 -2.28 -1.32 0.00 0.00 176.35 173.74 3lor s HIS 71 N 1.47 2.80 -0.45 5.38 5.65 -0.26 -1.76 115.29 128.12 3lor s HIS 71 Ca -0.05 0.12 -0.05 0.00 0.25 0.00 0.00 55.06 55.33 3lor s HIS 71 Cb -0.19 -4.11 0.12 0.00 -1.18 0.00 0.00 32.58 27.22 3lor s HIS 71 CO -0.07 -1.33 0.27 -1.12 -0.65 0.00 0.00 174.74 171.85 3lor s SER 72 N 2.74 5.41 -0.25 9.88 0.01 -0.91 -1.58 113.70 129.00 3lor s SER 72 Ca 0.33 -2.07 -0.26 0.00 1.31 0.00 0.00 55.95 55.27 3lor s SER 72 Cb -0.11 -1.89 0.00 0.00 0.21 0.00 0.00 66.02 64.22 3lor s SER 72 CO 0.21 -0.58 0.89 -0.69 0.41 0.00 0.00 173.24 173.48 3lor s VAL 73 N 1.11 4.78 -0.80 3.43 1.01 -1.26 -4.62 120.40 124.03 3lor s VAL 73 Ca 0.08 1.65 0.07 0.00 0.00 0.00 0.00 61.98 63.78 3lor s VAL 73 Cb -0.24 -4.18 0.03 0.00 0.00 0.00 0.00 36.38 31.99 3lor s VAL 73 CO -0.03 -0.14 0.63 2.22 0.00 0.00 0.00 175.10 177.78 3lor n PHE 74 N 6.15 0.00 -3.83 5.22 1.16 -1.26 -4.47 117.46 120.43 3lor n PHE 74 Ca 0.07 0.00 -0.10 0.00 -1.87 0.00 0.00 57.45 55.55 3lor n PHE 74 Cb 0.47 0.00 -0.08 0.00 -1.61 0.00 0.00 39.48 38.26 3lor n PHE 74 CO 0.00 0.00 0.00 -1.83 -1.87 0.00 0.00 176.76 173.06 3lor s GLU 75 N -0.88 0.73 -1.35 3.97 -1.05 -1.26 -4.66 118.70 114.21 3lor s GLU 75 Ca 0.07 -0.66 -0.02 0.00 -0.15 0.00 0.00 54.97 54.21 3lor s GLU 75 Cb 0.06 0.31 0.01 0.00 -0.44 0.00 0.00 34.13 34.07 3lor s GLU 75 CO 0.14 -0.22 0.67 0.72 0.95 0.00 0.00 175.26 177.52 3lor n HIS 76 N 0.55 -1.89 -0.29 4.83 8.25 -1.26 -4.86 115.22 120.55 3lor n HIS 76 Ca -0.18 0.83 -0.02 0.00 -0.26 0.00 0.00 57.72 58.09 3lor n HIS 76 Cb 0.60 -4.21 0.16 0.00 1.12 0.00 0.00 29.99 27.66 3lor n HIS 76 CO 0.00 0.00 0.00 0.45 0.64 0.00 0.00 176.34 177.43 3lor h HIS 77 N -1.88 1.12 -0.67 4.41 3.86 -1.94 -2.31 115.15 117.74 3lor h HIS 77 Ca -0.61 0.00 -0.04 0.00 -1.16 0.00 0.00 60.37 58.56 3lor h HIS 77 Cb 1.36 -0.37 -0.03 0.00 1.06 0.00 0.00 27.41 29.43 3lor h HIS 77 CO 0.48 0.74 0.27 0.38 0.86 0.00 0.00 177.93 180.66 3lor h ASP 78 N 1.18 0.91 0.00 2.45 2.03 -2.03 -3.29 116.42 117.67 3lor h ASP 78 Ca 0.31 -0.13 0.00 0.00 -0.73 0.00 0.00 57.03 56.48 3lor h ASP 78 Cb -0.06 -0.24 0.00 0.00 -0.83 0.00 0.00 39.33 38.20 3lor h ASP 78 CO -0.06 0.81 0.00 0.52 -1.03 0.00 0.00 179.24 179.48 3lor n VAL 79 N -4.30 0.97 0.00 4.15 0.31 -0.87 -5.06 118.33 113.53 3lor n VAL 79 Ca 0.06 -0.23 0.00 0.00 -0.01 0.00 0.00 64.34 64.16 3lor n VAL 79 Cb 0.18 -1.20 0.00 0.00 -0.91 0.00 0.00 33.84 31.91 3lor n VAL 79 CO 0.00 0.00 0.00 0.35 -1.32 0.00 0.00 176.83 175.86 3lor n THR 81 N 1.63 0.00 -0.08 2.52 -2.24 -1.24 -4.80 114.28 110.07 3lor n THR 81 Ca 0.00 0.00 -0.00 0.00 -2.27 0.00 0.00 64.05 61.78 3lor n THR 81 Cb 0.26 0.00 0.27 0.00 -2.10 0.00 0.00 70.33 68.76 3lor n THR 81 CO 0.00 0.00 0.00 -0.65 -0.57 0.00 0.00 175.07 173.85 3lor h PRO 82 N 0.00 0.70 -0.63 -0.78 0.11 -1.97 -1.17 132.00 128.26 3lor h PRO 82 Ca 0.00 -0.11 -0.04 0.00 0.11 0.00 0.00 66.00 65.96 3lor h PRO 82 Cb 0.00 -0.12 -0.03 0.00 0.11 0.00 0.00 31.00 30.96 3lor h PRO 82 CO 0.00 0.60 0.24 1.49 -0.21 0.00 0.00 178.00 180.12 3lor h GLU 83 N 0.69 0.96 -0.76 1.05 4.57 -2.00 -2.37 114.58 116.72 3lor h GLU 83 Ca 0.16 -0.18 -0.05 0.00 -1.18 0.00 0.00 59.36 58.11 3lor h GLU 83 Cb 0.18 -0.15 -0.03 0.00 -0.16 0.00 0.00 28.75 28.58 3lor h GLU 83 CO -0.01 0.81 0.28 0.00 -1.18 0.00 0.00 179.01 178.92 3lor h ALA 84 N 1.10 1.06 -0.76 2.92 0.00 -1.72 -2.88 119.26 118.98 3lor h ALA 84 Ca 0.21 -0.20 -0.00 0.00 0.00 0.00 0.00 54.91 54.91 3lor h ALA 84 Cb 0.22 -0.30 -0.04 0.00 0.00 0.00 0.00 17.79 17.68 3lor h ALA 84 CO -0.01 0.66 0.46 1.25 0.00 0.00 0.00 179.25 181.60 3lor h LEU 85 N 1.12 0.91 -0.64 0.00 5.85 -1.12 -1.20 115.31 120.22 3lor h LEU 85 Ca 0.25 -0.05 -0.02 0.00 0.84 0.00 0.00 57.88 58.90 3lor h LEU 85 Cb 0.24 -0.23 -0.03 0.00 0.37 0.00 0.00 40.66 41.02 3lor h LEU 85 CO -0.02 0.69 0.32 0.11 -0.34 0.00 0.00 178.44 179.21 3lor h LYS 86 N 1.05 0.92 -0.59 1.25 1.57 -1.21 -1.26 116.57 118.30 3lor h LYS 86 Ca 0.27 -0.13 -0.06 0.00 -1.87 0.00 0.00 60.65 58.86 3lor h LYS 86 Cb -0.05 -0.17 -0.03 0.00 0.08 0.00 0.00 32.23 32.07 3lor h LYS 86 CO -0.05 0.72 0.12 0.28 -0.57 0.00 0.00 179.45 179.95 3lor h VAL 87 N 0.89 1.24 -0.54 0.50 2.07 -1.41 -2.47 116.25 116.53 3lor h VAL 87 Ca 0.22 -0.91 -0.02 0.00 0.82 0.00 0.00 66.70 66.81 3lor h VAL 87 Cb 0.10 0.66 -0.02 0.00 -1.52 0.00 0.00 31.29 30.51 3lor h VAL 87 CO -0.03 0.34 0.26 0.15 0.02 0.00 0.00 177.57 178.31 3lor h PHE 88 N 0.89 0.79 -0.59 1.57 3.57 -0.73 -1.10 116.94 121.33 3lor h PHE 88 Ca 0.19 -0.04 -0.03 0.00 3.53 0.00 0.00 57.97 61.62 3lor h PHE 88 Cb 0.35 -0.24 -0.03 0.00 2.79 0.00 0.00 35.95 38.82 3lor h PHE 88 CO 0.02 0.61 0.26 0.82 -2.23 0.00 0.00 178.31 177.80 3lor h ILE 89 N 0.73 1.22 -0.26 1.41 2.04 -1.10 -1.41 117.51 120.15 3lor h ILE 89 Ca 0.19 -0.65 -0.03 0.00 1.00 0.00 0.00 64.86 65.37 3lor h ILE 89 Cb 0.12 0.55 -0.01 0.00 -0.74 0.00 0.00 36.82 36.74 3lor h ILE 89 CO -0.02 0.26 0.03 -0.78 0.00 0.00 0.00 178.15 177.63 3lor h ASP 90 N 0.81 0.42 -0.75 1.72 3.58 -1.27 -1.24 116.42 119.68 3lor h ASP 90 Ca 0.20 -0.27 -0.02 0.00 0.42 0.00 0.00 57.03 57.36 3lor h ASP 90 Cb 0.16 -0.11 -0.04 0.00 1.72 0.00 0.00 39.33 41.06 3lor h ASP 90 CO -0.02 0.59 0.40 -0.08 -2.88 0.00 0.00 179.24 177.25 3lor h GLU 91 N 0.23 1.06 -0.07 0.28 4.57 -1.08 -2.71 114.58 116.86 3lor h GLU 91 Ca 0.08 -0.13 0.00 0.00 -1.18 0.00 0.00 59.36 58.13 3lor h GLU 91 Cb 0.35 -0.20 0.00 0.00 -0.16 0.00 0.00 28.75 28.74 3lor h GLU 91 CO 0.01 0.79 0.00 1.19 -1.18 0.00 0.00 179.01 179.82 3lor n PHE 92 N -4.44 0.07 -3.75 0.92 3.01 -0.54 -4.95 117.46 107.77 3lor n PHE 92 Ca 0.07 -0.03 -0.26 0.00 1.01 0.00 0.00 57.45 58.23 3lor n PHE 92 Cb 0.10 0.00 0.05 0.00 -0.01 0.00 0.00 39.48 39.62 3lor n PHE 92 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 3lor n GLY 93 N 1.17 -0.47 3.67 1.37 0.00 -0.65 -4.93 105.19 105.36 3lor n GLY 93 Ca 0.18 0.20 -0.43 0.00 0.00 0.00 0.00 46.02 45.97 3lor n GLY 93 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3lor s ILE 94 N -3.37 4.46 -0.08 -0.61 1.01 -0.56 -4.91 121.20 117.13 3lor s ILE 94 Ca 0.49 1.76 0.22 0.00 0.00 0.00 0.00 60.65 63.12 3lor s ILE 94 Cb -0.23 -4.14 -0.25 0.00 0.01 0.00 0.00 42.46 37.85 3lor s ILE 94 CO 0.79 -0.09 0.61 0.29 0.00 0.00 0.00 174.94 176.54 3lor n LYS 95 N 5.95 0.65 -2.02 2.79 4.76 -1.26 -4.87 118.16 124.16 3lor n LYS 95 Ca 0.12 -0.11 -0.31 0.00 -2.87 0.00 0.00 58.31 55.13 3lor n LYS 95 Cb 0.46 -1.60 0.00 0.00 -1.84 0.00 0.00 35.03 32.05 3lor n LYS 95 CO 0.00 0.00 0.00 -0.59 -1.37 0.00 0.00 177.40 175.44 3lor s PHE 96 N -3.45 3.45 0.19 2.13 -0.71 -1.26 -4.98 117.98 113.35 3lor s PHE 96 Ca -0.06 1.38 -0.31 0.00 -1.04 0.00 0.00 56.93 56.90 3lor s PHE 96 Cb 0.13 -2.79 -0.10 0.00 -1.21 0.00 0.00 43.02 39.05 3lor s PHE 96 CO 0.88 -0.69 1.48 -2.14 -1.34 0.00 0.00 175.22 173.41 3lor s PRO 97 N -4.71 4.25 -0.10 1.99 0.02 -1.26 -4.77 135.00 130.42 3lor s PRO 97 Ca 0.57 2.29 0.04 0.00 0.02 0.00 0.00 61.00 63.92 3lor s PRO 97 Cb -0.11 -3.15 -0.00 0.00 0.02 0.00 0.00 34.50 31.26 3lor s PRO 97 CO 0.45 -0.50 -0.23 0.08 -0.33 0.00 0.00 177.00 176.47 3lor s VAL 98 N 0.63 2.11 0.14 3.83 1.01 -1.26 -1.11 120.40 125.74 3lor s VAL 98 Ca 0.64 -1.00 0.08 0.00 0.00 0.00 0.00 61.98 61.70 3lor s VAL 98 Cb -0.42 -1.81 -0.04 0.00 0.00 0.00 0.00 36.38 34.11 3lor s VAL 98 CO 0.36 0.56 -0.10 0.00 0.00 0.00 0.00 175.10 175.92 3lor s ALA 99 N 0.36 2.94 -0.25 5.51 0.00 -0.16 -1.82 121.76 128.34 3lor s ALA 99 Ca -0.18 -1.35 -0.12 0.00 0.00 0.00 0.00 51.96 50.31 3lor s ALA 99 Cb -0.18 -0.81 -0.05 0.00 0.00 0.00 0.00 23.12 22.08 3lor s ALA 99 CO 0.08 0.56 0.24 0.08 0.00 0.00 0.00 175.76 176.73 3lor s VAL 100 N -1.42 5.29 0.00 0.00 1.01 -0.39 -1.11 120.40 123.78 3lor s VAL 100 Ca 0.23 0.34 0.00 0.00 0.00 0.00 0.00 61.98 62.54 3lor s VAL 100 Cb -0.10 -3.58 0.00 0.00 0.00 0.00 0.00 36.38 32.70 3lor s VAL 100 CO 0.14 0.28 0.00 -0.67 0.00 0.00 0.00 175.10 174.85 3lor n ASP 101 N 4.67 0.00 -4.05 3.32 -0.08 -0.62 -0.85 116.55 118.94 3lor n ASP 101 Ca -0.12 0.00 -0.11 0.00 -1.51 0.00 0.00 54.79 53.05 3lor n ASP 101 Cb 0.52 0.00 -0.11 0.00 2.34 0.00 0.00 41.12 43.87 3lor n ASP 101 CO 0.00 0.00 0.00 -2.16 0.12 0.00 0.00 177.20 175.16 3lor s PRO 103 N 0.00 0.51 -0.10 -0.67 0.04 -1.26 -4.46 135.00 129.05 3lor s PRO 103 Ca 0.00 -0.83 0.02 0.00 0.04 0.00 0.00 61.00 60.23 3lor s PRO 103 Cb 0.00 -0.11 -0.01 0.00 0.04 0.00 0.00 34.50 34.42 3lor s PRO 103 CO 0.00 -0.00 -0.18 1.03 0.04 0.00 0.00 177.00 177.89 3lor s ARG 104 N -2.05 3.07 0.17 4.56 0.52 -1.26 -4.84 118.95 119.12 3lor s ARG 104 Ca -0.07 -0.77 -0.32 0.00 -0.52 0.00 0.00 55.73 54.05 3lor s ARG 104 Cb -0.06 -2.45 -0.12 0.00 0.52 0.00 0.00 34.95 32.84 3lor s ARG 104 CO -0.02 0.28 1.74 -0.85 0.02 0.00 0.00 175.30 176.48 3lor n GLU 105 N 3.28 2.69 -0.63 3.54 -0.00 -1.26 -2.22 120.64 126.04 3lor n GLU 105 Ca -0.18 0.97 0.00 0.00 -0.00 0.00 0.00 57.16 57.95 3lor n GLU 105 Cb 0.53 -2.82 0.00 0.00 -0.00 0.00 0.00 31.44 29.14 3lor n GLU 105 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 3lor n GLY 106 N 3.97 1.55 3.34 -1.84 0.00 -1.26 -5.00 105.19 105.95 3lor n GLY 106 Ca 0.17 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.87 3lor n GLY 106 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3lor s GLN 107 N -0.07 2.38 0.21 1.61 -1.52 -0.94 -5.03 119.66 116.29 3lor s GLN 107 Ca 0.00 -0.86 -0.06 0.00 -1.95 0.00 0.00 55.36 52.49 3lor s GLN 107 Cb 0.00 -2.17 0.16 0.00 -0.22 0.00 0.00 33.01 30.78 3lor s GLN 107 CO 0.00 0.51 1.66 0.00 -0.25 0.00 0.00 175.29 177.21 3lor h ARG 108 N 5.67 0.91 -6.04 2.91 3.08 -1.88 -3.42 114.38 115.61 3lor h ARG 108 Ca -0.40 -0.31 -0.57 0.00 0.07 0.00 0.00 59.98 58.77 3lor h ARG 108 Cb 1.15 -0.07 -0.06 0.00 0.08 0.00 0.00 29.97 31.07 3lor h ARG 108 CO 0.48 0.96 0.34 0.42 -1.07 0.00 0.00 179.97 181.10 3lor s ILE 109 N -4.86 4.90 0.74 2.04 -1.09 -1.26 -4.23 121.20 117.45 3lor s ILE 109 Ca -0.10 1.68 -0.11 0.00 -2.23 0.00 0.00 60.65 59.88 3lor s ILE 109 Cb 0.14 -4.16 0.04 0.00 -1.58 0.00 0.00 42.46 36.90 3lor s ILE 109 CO 0.84 0.08 1.10 -2.16 -1.23 0.00 0.00 174.94 173.57 3lor s PRO 110 N 1.74 2.53 0.09 2.79 0.04 -1.26 -4.53 135.00 136.40 3lor s PRO 110 Ca 0.41 0.53 -0.36 0.00 0.04 0.00 0.00 61.00 61.62 3lor s PRO 110 Cb -0.17 -1.98 -0.17 0.00 0.04 0.00 0.00 34.50 32.22 3lor s PRO 110 CO 0.16 -1.28 1.57 0.77 0.04 0.00 0.00 177.00 178.25 3lor h SER 111 N -0.84 -1.40 0.00 6.66 0.02 -1.88 -1.02 113.55 115.09 3lor h SER 111 Ca -0.46 0.12 0.00 0.00 -0.84 0.00 0.00 61.79 60.61 3lor h SER 111 Cb 1.26 0.47 0.00 0.00 0.14 0.00 0.00 62.40 64.27 3lor h SER 111 CO 0.62 -0.65 0.00 0.41 -1.14 0.00 0.00 176.83 176.07 3lor n THR 112 N -5.56 0.26 0.00 -2.27 -1.04 -1.26 -1.35 114.28 103.06 3lor n THR 112 Ca -0.12 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.89 3lor n THR 112 Cb 0.46 -0.61 0.00 0.00 -1.82 0.00 0.00 70.33 68.36 3lor n THR 112 CO 0.00 0.00 0.00 1.17 -0.64 0.00 0.00 175.07 175.60 3lor n LYS 114 N 0.84 0.00 -0.37 -2.82 0.00 -0.39 -2.16 118.16 113.26 3lor n LYS 114 Ca 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 58.31 58.29 3lor n LYS 114 Cb 0.13 0.00 0.11 0.00 0.00 0.00 0.00 35.03 35.27 3lor n LYS 114 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.40 177.18 3lor h LYS 115 N 0.00 1.32 -0.70 1.64 3.64 -1.48 -2.27 116.57 118.72 3lor h LYS 115 Ca 0.00 -0.09 0.00 0.00 -1.27 0.00 0.00 60.65 59.29 3lor h LYS 115 Cb 0.00 -0.29 0.00 0.00 -0.41 0.00 0.00 32.23 31.53 3lor h LYS 115 CO 0.00 0.89 0.00 0.66 -2.27 0.00 0.00 179.45 178.73 3lor n TYR 116 N -4.37 1.11 -3.79 1.91 4.01 -0.92 -4.96 117.16 110.16 3lor n TYR 116 Ca 0.12 -0.53 -0.28 0.00 -0.16 0.00 0.00 57.90 57.05 3lor n TYR 116 Cb 0.03 -0.07 0.05 0.00 -0.31 0.00 0.00 39.34 39.03 3lor n TYR 116 CO 0.00 0.00 0.00 0.54 -0.46 0.00 0.00 176.86 176.94 3lor n ARG 117 N 1.47 -6.48 -2.15 -0.72 1.74 -0.86 -4.93 116.66 104.73 3lor n ARG 117 Ca 0.25 0.69 -0.41 0.00 -0.77 0.00 0.00 57.85 57.61 3lor n ARG 117 Cb 0.69 -5.64 -0.02 0.00 -1.02 0.00 0.00 32.46 26.47 3lor n ARG 117 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 3lor s LEU 118 N -7.28 4.43 0.28 0.55 1.43 -1.26 -4.91 118.68 111.92 3lor s LEU 118 Ca 0.62 2.59 -0.01 0.00 -1.03 0.00 0.00 54.13 56.30 3lor s LEU 118 Cb -0.30 -3.64 0.42 0.00 0.03 0.00 0.00 46.19 42.70 3lor s LEU 118 CO 0.79 -0.52 1.82 -0.33 0.23 0.00 0.00 176.35 178.34 3lor h GLU 119 N 4.07 0.78 0.00 1.70 5.08 -1.98 -3.48 114.58 120.74 3lor h GLU 119 Ca -0.47 -0.17 0.00 0.00 -1.00 0.00 0.00 59.36 57.72 3lor h GLU 119 Cb 1.22 -0.11 0.00 0.00 0.50 0.00 0.00 28.75 30.36 3lor h GLU 119 CO 0.70 0.73 0.00 0.41 -1.00 0.00 0.00 179.01 179.85 3lor n GLY 120 N -0.82 -0.75 3.36 -3.84 0.00 -1.26 -5.14 105.19 96.74 3lor n GLY 120 Ca 0.03 -0.97 -0.31 0.00 0.00 0.00 0.00 46.02 44.77 3lor n GLY 120 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3lor s THR 121 N -3.00 2.25 0.49 2.61 -4.23 -1.26 -3.63 115.64 108.87 3lor s THR 121 Ca 0.00 -1.23 -0.17 0.00 -1.18 0.00 0.00 61.69 59.11 3lor s THR 121 Cb 0.00 -1.85 -0.08 0.00 1.34 0.00 0.00 72.50 71.90 3lor s THR 121 CO 0.00 0.45 0.96 -2.16 -0.54 0.00 0.00 174.62 173.33 3lor s PRO 122 N -1.03 3.98 0.09 3.99 0.04 -1.26 -4.80 135.00 136.01 3lor s PRO 122 Ca 0.11 0.94 0.03 0.00 0.04 0.00 0.00 61.00 62.13 3lor s PRO 122 Cb -0.10 -2.16 -0.04 0.00 0.04 0.00 0.00 34.50 32.24 3lor s PRO 122 CO 0.01 -0.21 -0.08 -1.12 0.04 0.00 0.00 177.00 175.64 3lor s SER 123 N -2.93 1.22 -0.02 6.66 0.01 -0.79 -0.55 113.70 117.29 3lor s SER 123 Ca 0.59 -0.82 0.07 0.00 1.31 0.00 0.00 55.95 57.10 3lor s SER 123 Cb -0.10 0.04 -0.02 0.00 0.21 0.00 0.00 66.02 66.16 3lor s SER 123 CO 0.28 -0.32 -0.24 -0.51 0.41 0.00 0.00 173.24 172.87 3lor s ILE 124 N -2.60 1.90 -0.12 1.44 2.07 -0.68 -0.50 121.20 122.70 3lor s ILE 124 Ca 0.04 -1.03 0.03 0.00 -1.41 0.00 0.00 60.65 58.29 3lor s ILE 124 Cb -0.02 -1.58 0.01 0.00 0.13 0.00 0.00 42.46 41.00 3lor s ILE 124 CO -0.01 0.54 -0.23 -0.63 -1.91 0.00 0.00 174.94 172.70 3lor s ILE 125 N -0.53 2.04 -0.12 2.00 1.01 -0.38 -1.57 121.20 123.63 3lor s ILE 125 Ca 0.08 -0.99 -0.01 0.00 0.00 0.00 0.00 60.65 59.74 3lor s ILE 125 Cb -0.10 -1.78 -0.02 0.00 0.01 0.00 0.00 42.46 40.57 3lor s ILE 125 CO -0.01 0.55 -0.10 -0.76 0.00 0.00 0.00 174.94 174.63 3lor s LEU 126 N 0.58 2.92 0.09 2.97 1.43 -0.52 -0.88 118.68 125.28 3lor s LEU 126 Ca -0.13 -0.22 0.08 0.00 -1.03 0.00 0.00 54.13 52.82 3lor s LEU 126 Cb -0.17 -1.67 -0.03 0.00 0.03 0.00 0.00 46.19 44.36 3lor s LEU 126 CO 0.03 0.20 -0.20 0.00 0.23 0.00 0.00 176.35 176.62 3lor s ALA 127 N 0.14 1.71 0.97 4.21 0.00 -0.54 -0.74 121.76 127.51 3lor s ALA 127 Ca -0.05 -1.18 -0.12 0.00 0.00 0.00 0.00 51.96 50.61 3lor s ALA 127 Cb -0.14 -0.24 0.18 0.00 0.00 0.00 0.00 23.12 22.91 3lor s ALA 127 CO 0.04 0.34 1.05 -0.40 0.00 0.00 0.00 175.76 176.79 3lor n ASP 128 N 1.25 0.17 0.30 0.00 3.85 -0.70 -1.03 116.55 120.39 3lor n ASP 128 Ca -0.19 -1.43 0.20 0.00 -0.71 0.00 0.00 54.79 52.65 3lor n ASP 128 Cb 0.54 -0.79 0.93 0.00 -1.35 0.00 0.00 41.12 40.44 3lor n ASP 128 CO 0.00 0.00 0.00 0.03 -1.01 0.00 0.00 177.20 176.22 3lor h ARG 129 N 0.00 0.00 -0.01 0.11 3.08 -1.89 0.01 114.38 115.68 3lor h ARG 129 Ca -0.34 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.71 3lor h ARG 129 Cb 0.96 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.01 3lor h ARG 129 CO 0.25 0.01 -0.22 1.63 -1.07 0.00 0.00 179.97 180.57 3lor n LYS 130 N -3.12 1.03 -0.53 0.04 5.02 -1.26 -1.37 118.16 117.96 3lor n LYS 130 Ca -0.01 -0.62 0.00 0.00 -2.02 0.00 0.00 58.31 55.65 3lor n LYS 130 Cb 0.20 -1.49 0.00 0.00 -0.02 0.00 0.00 35.03 33.72 3lor n LYS 130 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3lor n GLY 131 N 1.31 0.75 3.71 0.72 0.00 -0.01 -4.96 105.19 106.71 3lor n GLY 131 Ca 0.13 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.73 3lor n GLY 131 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3lor s ARG 132 N -0.47 4.56 -0.02 1.61 0.52 -1.26 -0.72 118.95 123.16 3lor s ARG 132 Ca 0.00 1.39 -0.30 0.00 -0.52 0.00 0.00 55.73 56.30 3lor s ARG 132 Cb 0.00 -3.46 -0.05 0.00 0.52 0.00 0.00 34.95 31.96 3lor s ARG 132 CO 0.00 -0.03 1.47 0.42 0.02 0.00 0.00 175.30 177.17 3lor s ILE 133 N 0.96 3.67 -0.06 1.52 1.01 -0.64 -1.72 121.20 125.94 3lor s ILE 133 Ca 0.51 0.99 0.08 0.00 0.00 0.00 0.00 60.65 62.23 3lor s ILE 133 Cb -0.21 -3.64 -0.11 0.00 0.01 0.00 0.00 42.46 38.51 3lor s ILE 133 CO 0.28 -0.03 0.09 0.54 0.00 0.00 0.00 174.94 175.81 3lor n ARG 134 N 5.89 1.80 -3.83 2.79 5.12 0.09 -4.63 116.66 123.88 3lor n ARG 134 Ca 0.14 -0.03 -0.12 0.00 -1.93 0.00 0.00 57.85 55.91 3lor n ARG 134 Cb 0.43 -1.21 -0.11 0.00 -1.16 0.00 0.00 32.46 30.42 3lor n ARG 134 CO 0.00 0.00 0.00 -0.65 -1.93 0.00 0.00 177.63 175.05 3lor s GLN 135 N -2.35 0.41 -0.04 5.56 -1.52 -1.13 -5.00 119.66 115.59 3lor s GLN 135 Ca -0.04 -0.09 0.01 0.00 -1.95 0.00 0.00 55.36 53.30 3lor s GLN 135 Cb 0.04 0.18 0.02 0.00 -0.22 0.00 0.00 33.01 33.02 3lor s GLN 135 CO 0.34 -0.09 -0.06 0.08 -0.25 0.00 0.00 175.29 175.32 3lor s VAL 136 N -0.75 0.63 -0.00 1.09 1.01 -1.26 -1.43 120.40 119.68 3lor s VAL 136 Ca -0.08 -0.20 -0.00 0.00 0.00 0.00 0.00 61.98 61.69 3lor s VAL 136 Cb -0.05 -0.62 0.00 0.00 0.00 0.00 0.00 36.38 35.72 3lor s VAL 136 CO 0.01 0.23 0.01 -1.58 0.00 0.00 0.00 175.10 173.78 3lor s GLN 137 N 0.70 0.01 -0.08 2.72 0.74 -0.61 -5.00 119.66 118.13 3lor s GLN 137 Ca -0.10 0.03 -0.05 0.00 0.05 0.00 0.00 55.36 55.29 3lor s GLN 137 Cb -0.13 -0.02 -0.04 0.00 1.10 0.00 0.00 33.01 33.92 3lor s GLN 137 CO 0.01 -0.02 0.14 0.12 -0.55 0.00 0.00 175.29 174.99 3lor s PHE 138 N 0.11 3.54 0.00 1.67 5.36 -1.26 -1.69 117.98 125.71 3lor s PHE 138 Ca -0.01 0.45 0.00 0.00 -0.96 0.00 0.00 56.93 56.41 3lor s PHE 138 Cb -0.01 -1.89 0.00 0.00 -0.34 0.00 0.00 43.02 40.77 3lor s PHE 138 CO -0.00 0.69 0.00 0.41 -1.46 0.00 0.00 175.22 174.86 3lor n GLY 139 N 1.69 -1.75 3.69 13.12 0.00 0.28 -4.87 105.19 117.35 3lor n GLY 139 Ca -0.17 -1.50 -0.42 0.00 0.00 0.00 0.00 46.02 43.93 3lor n GLY 139 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 3lor s GLN 140 N 0.00 4.22 -0.12 1.61 0.74 -1.26 -4.81 119.66 120.03 3lor s GLN 140 Ca 0.00 2.24 0.00 0.00 0.05 0.00 0.00 55.36 57.65 3lor s GLN 140 Cb 0.00 -3.57 -0.01 0.00 1.10 0.00 0.00 33.01 30.53 3lor s GLN 140 CO 0.00 -0.69 -0.14 0.08 -0.55 0.00 0.00 175.29 173.99 3lor s VAL 141 N 2.49 2.97 0.42 1.34 1.01 -1.26 -5.10 120.40 122.26 3lor s VAL 141 Ca 0.71 -0.70 -0.26 0.00 0.00 0.00 0.00 61.98 61.74 3lor s VAL 141 Cb -0.38 -2.23 -0.09 0.00 0.00 0.00 0.00 36.38 33.68 3lor s VAL 141 CO 0.31 0.53 1.35 -0.62 0.00 0.00 0.00 175.10 176.67 3lor s ASP 142 N 0.30 6.20 0.26 3.32 2.15 -1.26 -4.88 116.67 122.75 3lor s ASP 142 Ca -0.11 2.75 -0.05 0.00 0.43 0.00 0.00 52.55 55.58 3lor s ASP 142 Cb -0.16 -2.64 0.32 0.00 -0.30 0.00 0.00 42.92 40.13 3lor s ASP 142 CO 0.06 -0.94 1.92 0.44 -0.17 0.00 0.00 175.17 176.48 3lor h ASP 143 N 2.61 1.07 -0.41 -0.34 3.32 -1.98 -1.57 116.42 119.11 3lor h ASP 143 Ca -0.50 -0.05 -0.03 0.00 0.02 0.00 0.00 57.03 56.48 3lor h ASP 143 Cb 1.25 -0.27 -0.02 0.00 0.22 0.00 0.00 39.33 40.51 3lor h ASP 143 CO 0.62 0.80 0.16 0.15 -1.72 0.00 0.00 179.24 179.25 3lor h PHE 144 N 1.24 0.64 -0.67 4.55 3.57 -1.99 -1.87 116.94 122.40 3lor h PHE 144 Ca 0.33 -0.05 -0.03 0.00 3.53 0.00 0.00 57.97 61.75 3lor h PHE 144 Cb -0.09 -0.19 -0.03 0.00 2.79 0.00 0.00 35.95 38.43 3lor h PHE 144 CO 0.00 0.56 0.31 0.28 -2.23 0.00 0.00 178.31 177.24 3lor h VAL 145 N 0.53 1.23 -0.72 1.41 2.07 -1.89 -2.04 116.25 116.83 3lor h VAL 145 Ca 0.14 -0.65 -0.02 0.00 0.82 0.00 0.00 66.70 66.99 3lor h VAL 145 Cb 0.20 0.42 -0.03 0.00 -1.52 0.00 0.00 31.29 30.36 3lor h VAL 145 CO -0.01 0.27 0.38 0.25 0.02 0.00 0.00 177.57 178.48 3lor h LEU 146 N 0.93 0.92 -0.65 2.57 5.85 -1.07 -2.14 115.31 121.73 3lor h LEU 146 Ca 0.23 -0.11 -0.04 0.00 0.84 0.00 0.00 57.88 58.80 3lor h LEU 146 Cb 0.13 -0.24 -0.03 0.00 0.37 0.00 0.00 40.66 40.90 3lor h LEU 146 CO -0.03 0.77 0.24 1.23 -0.34 0.00 0.00 178.44 180.31 3lor h GLY 147 N 1.00 1.06 1.00 3.75 0.00 -1.14 -1.99 103.07 106.75 3lor h GLY 147 Ca 0.25 -0.60 -0.01 0.00 0.00 0.00 0.00 47.33 46.98 3lor h GLY 147 CO -0.04 0.56 0.36 1.41 0.00 0.00 0.00 176.54 178.83 3lor h LEU 148 N 0.93 0.75 -0.25 3.11 3.38 -1.04 -0.24 115.31 121.95 3lor h LEU 148 Ca 0.21 -0.07 -0.01 0.00 0.09 0.00 0.00 57.88 58.10 3lor h LEU 148 Cb 0.24 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.79 3lor h LEU 148 CO -0.01 0.60 0.10 -0.07 0.09 0.00 0.00 178.44 179.15 3lor h LEU 149 N 0.83 0.34 -0.44 1.67 3.38 -1.16 -1.77 115.31 118.15 3lor h LEU 149 Ca 0.22 -0.15 -0.07 0.00 0.09 0.00 0.00 57.88 57.96 3lor h LEU 149 Cb -0.00 -0.09 -0.02 0.00 0.09 0.00 0.00 40.66 40.65 3lor h LEU 149 CO -0.04 0.40 -0.00 -0.07 0.09 0.00 0.00 178.44 178.82 3lor h LEU 150 N 0.25 0.76 -0.84 1.67 3.38 -1.17 -2.10 115.31 117.26 3lor h LEU 150 Ca 0.08 -0.31 -0.03 0.00 0.09 0.00 0.00 57.88 57.72 3lor h LEU 150 Cb 0.16 -0.20 -0.04 0.00 0.09 0.00 0.00 40.66 40.67 3lor h LEU 150 CO -0.01 0.88 0.41 1.23 0.09 0.00 0.00 178.44 181.05 3lor h GLY 151 N 0.61 1.29 0.95 0.83 0.00 -0.98 0.11 103.07 105.88 3lor h GLY 151 Ca 0.12 -0.63 -0.00 0.00 0.00 0.00 0.00 47.33 46.82 3lor h GLY 151 CO 0.02 0.60 0.10 0.23 0.00 0.00 0.00 176.54 177.50 3lor h SER 152 N 1.19 0.23 -0.58 0.19 0.87 -1.25 -2.49 113.55 111.71 3lor h SER 152 Ca 0.29 -0.08 -0.04 0.00 -1.23 0.00 0.00 61.79 60.73 3lor h SER 152 Cb 0.10 -0.06 -0.03 0.00 -0.44 0.00 0.00 62.40 61.98 3lor h SER 152 CO -0.04 0.24 0.22 -0.07 -0.53 0.00 0.00 176.83 176.65 3lor h LEU 153 N 0.20 0.84 -1.38 2.23 3.38 -0.94 -3.01 115.31 116.63 3lor h LEU 153 Ca 0.06 -0.13 -0.06 0.00 0.09 0.00 0.00 57.88 57.85 3lor h LEU 153 Cb 0.06 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.58 3lor h LEU 153 CO -0.01 0.77 -0.24 -0.07 0.09 0.00 0.00 178.44 178.98 3lor h LEU 154 N 0.89 0.10 -0.16 1.67 3.38 -0.46 -3.27 115.31 117.46 3lor h LEU 154 Ca 0.21 -0.03 0.00 0.00 0.09 0.00 0.00 57.88 58.15 3lor h LEU 154 Cb 0.22 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 40.94 3lor h LEU 154 CO -0.01 0.35 -0.84 -1.54 0.09 0.00 0.00 178.44 176.49 3lor n SER 155 N -4.21 1.09 -4.69 -0.43 3.41 -0.97 -4.94 113.62 102.89 3lor n SER 155 Ca -0.02 -0.98 -0.44 0.00 -0.26 0.00 0.00 58.87 57.17 3lor n SER 155 Cb 0.32 0.80 -0.03 0.00 -0.26 0.00 0.00 64.21 65.05 3lor n SER 155 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 3lor n GLU 156 N -1.25 2.21 0.00 4.33 1.02 -1.15 -5.11 120.64 120.69 3lor n GLU 156 Ca 0.05 0.79 0.00 0.00 -0.02 0.00 0.00 57.16 57.98 3lor n GLU 156 Cb 0.35 -2.49 0.00 0.00 -0.02 0.00 0.00 31.44 29.28 3lor n GLU 156 CO 0.00 0.00 0.00 0.25 1.18 0.00 0.00 177.13 178.56