#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 0.56 1.22 -1.43 3.32 -2.04 -2.36 116.42 115.70 3lor h ASP 5 Ca 0.00 -0.10 0.00 0.00 0.02 0.00 0.00 57.03 56.95 3lor h ASP 5 Cb 0.00 -0.15 0.00 0.00 0.22 0.00 0.00 39.33 39.40 3lor h ASP 5 CO 0.00 0.60 0.00 0.78 -1.72 0.00 0.00 179.24 178.90 3lor h ASN 6 N 0.58 0.00 -3.38 6.45 2.35 -2.08 -3.46 115.58 116.05 3lor h ASN 6 Ca 0.13 0.00 -0.52 0.00 -0.55 0.00 0.00 56.30 55.35 3lor h ASN 6 Cb 0.30 0.00 0.03 0.00 0.05 0.00 0.00 38.32 38.71 3lor h ASN 6 CO 0.01 0.00 0.65 0.00 -1.65 0.00 0.00 177.43 176.43 3lor s ALA 7 N -3.39 3.52 0.48 -0.83 0.00 -0.89 -4.99 121.76 115.66 3lor s ALA 7 Ca 0.05 1.10 -0.21 0.00 0.00 0.00 0.00 51.96 52.90 3lor s ALA 7 Cb 0.09 -3.48 -0.08 0.00 0.00 0.00 0.00 23.12 19.64 3lor s ALA 7 CO 0.54 -0.53 1.04 -1.25 0.00 0.00 0.00 175.76 175.56 3lor s PRO 8 N -0.08 3.82 0.51 0.00 0.04 -1.26 -4.85 135.00 133.17 3lor s PRO 8 Ca 0.57 1.39 -0.20 0.00 0.04 0.00 0.00 61.00 62.80 3lor s PRO 8 Cb -0.36 -2.14 -0.08 0.00 0.04 0.00 0.00 34.50 31.96 3lor s PRO 8 CO 0.38 -0.42 1.07 -0.51 0.04 0.00 0.00 177.00 177.56 3lor s LEU 9 N -3.40 3.82 -0.06 -3.56 1.43 -1.26 -1.85 118.68 113.78 3lor s LEU 9 Ca 0.66 2.02 -0.30 0.00 -1.03 0.00 0.00 54.13 55.49 3lor s LEU 9 Cb -0.17 -4.56 -0.04 0.00 0.03 0.00 0.00 46.19 41.45 3lor s LEU 9 CO 0.21 -0.94 1.32 -0.22 0.23 0.00 0.00 176.35 176.95 3lor s LEU 10 N -3.58 4.27 -0.33 1.79 2.96 -0.19 -4.76 118.68 118.84 3lor s LEU 10 Ca 0.69 1.92 -0.01 0.00 -0.22 0.00 0.00 54.13 56.51 3lor s LEU 10 Cb -0.19 -3.55 0.11 0.00 0.50 0.00 0.00 46.19 43.06 3lor s LEU 10 CO 0.23 -0.70 0.15 -1.61 -1.32 0.00 0.00 176.35 173.10 3lor s GLU 11 N 2.71 0.63 0.22 1.98 0.41 -1.26 -4.98 118.70 118.41 3lor s GLU 11 Ca 0.60 -1.12 -0.30 0.00 -0.41 0.00 0.00 54.97 53.74 3lor s GLU 11 Cb -0.27 -1.69 -0.09 0.00 -1.78 0.00 0.00 34.13 30.30 3lor s GLU 11 CO 0.22 -1.06 1.22 -0.51 -0.49 0.00 0.00 175.26 174.64 3lor s LEU 12 N 1.45 4.46 -0.38 1.80 1.43 -1.26 -4.96 118.68 121.22 3lor s LEU 12 Ca 0.12 2.34 -0.12 0.00 -1.03 0.00 0.00 54.13 55.44 3lor s LEU 12 Cb -0.19 -3.62 0.02 0.00 0.03 0.00 0.00 46.19 42.43 3lor s LEU 12 CO -0.20 -0.39 0.23 -1.81 0.23 0.00 0.00 176.35 174.42 3lor s ASP 13 N -0.06 5.87 -0.18 2.29 1.01 -1.26 -5.07 116.67 119.28 3lor s ASP 13 Ca 0.52 -0.85 -0.01 0.00 0.71 0.00 0.00 52.55 52.92 3lor s ASP 13 Cb -0.34 -2.08 0.00 0.00 1.01 0.00 0.00 42.92 41.51 3lor s ASP 13 CO 0.40 -0.37 -0.14 -0.69 0.21 0.00 0.00 175.17 174.58 3lor s VAL 14 N 1.62 2.70 0.06 -1.27 1.01 -1.26 -4.53 120.40 118.73 3lor s VAL 14 Ca 0.04 -0.74 -0.20 0.00 0.00 0.00 0.00 61.98 61.07 3lor s VAL 14 Cb -0.19 -2.16 -0.12 0.00 0.00 0.00 0.00 36.38 33.91 3lor s VAL 14 CO 0.08 0.50 1.48 -0.61 0.00 0.00 0.00 175.10 176.55 3lor h GLN 15 N 7.64 0.31 -2.74 2.72 4.15 -1.33 -3.48 115.11 122.38 3lor h GLN 15 Ca -0.38 -0.10 -0.03 0.00 0.77 0.00 0.00 58.65 58.90 3lor h GLN 15 Cb 1.17 -0.02 -0.14 0.00 0.21 0.00 0.00 27.48 28.70 3lor h GLN 15 CO 0.59 0.54 0.19 -1.83 -1.93 0.00 0.00 178.83 176.39 3lor s GLU 16 N -4.91 1.20 -0.38 1.69 -1.05 -1.24 -5.02 118.70 109.00 3lor s GLU 16 Ca -0.14 -0.28 -0.13 0.00 -0.15 0.00 0.00 54.97 54.27 3lor s GLU 16 Cb 0.06 0.56 0.01 0.00 -0.44 0.00 0.00 34.13 34.32 3lor s GLU 16 CO 0.73 -0.49 0.26 -1.58 0.95 0.00 0.00 175.26 175.12 3lor s TRP 17 N -3.02 3.23 0.22 4.83 0.52 -1.26 -1.66 118.94 121.80 3lor s TRP 17 Ca -0.02 -0.53 -0.02 0.00 0.02 0.00 0.00 56.10 55.55 3lor s TRP 17 Cb -0.01 -2.52 0.22 0.00 -1.15 0.00 0.00 33.47 30.02 3lor s TRP 17 CO -0.06 -0.52 1.60 0.28 0.02 0.00 0.00 176.95 178.27 3lor h VAL 18 N 5.63 1.29 0.00 4.03 2.07 -1.79 -3.38 116.25 124.10 3lor h VAL 18 Ca -0.28 -1.52 0.00 0.00 0.82 0.00 0.00 66.70 65.72 3lor h VAL 18 Cb 1.13 1.49 0.00 0.00 -1.52 0.00 0.00 31.29 32.39 3lor h VAL 18 CO 0.68 0.48 -0.11 -0.46 0.02 0.00 0.00 177.57 178.18 3lor n ASN 19 N -4.05 0.93 -3.48 0.57 6.94 -1.26 -5.05 115.26 109.86 3lor n ASN 19 Ca -0.01 -1.84 -0.10 0.00 -0.02 0.00 0.00 54.58 52.61 3lor n ASN 19 Cb 0.50 -0.12 -0.02 0.00 -2.36 0.00 0.00 39.78 37.78 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 -0.75 -0.42 0.54 -2.53 5.04 -1.26 -4.90 115.29 111.01 3lor s HIS 20 Ca 0.05 0.31 -0.21 0.00 -1.54 0.00 0.00 55.06 53.68 3lor s HIS 20 Cb 0.05 0.53 -0.05 0.00 0.04 0.00 0.00 32.58 33.15 3lor s HIS 20 CO 0.01 -0.63 1.23 -2.00 -2.34 0.00 0.00 174.74 171.00 3lor s GLU 21 N -3.11 3.25 0.60 2.88 2.12 -1.26 -4.76 118.70 118.43 3lor s GLU 21 Ca 0.03 1.89 -0.17 0.00 0.36 0.00 0.00 54.97 57.08 3lor s GLU 21 Cb -0.01 -2.14 -0.03 0.00 0.26 0.00 0.00 34.13 32.21 3lor s GLU 21 CO -0.09 -1.00 1.12 0.20 -0.54 0.00 0.00 175.26 174.95 3lor s GLY 22 N -1.39 2.38 -0.09 -1.50 0.00 -1.26 -5.04 107.32 100.42 3lor s GLY 22 Ca 0.72 0.67 0.01 0.00 0.00 0.00 0.00 44.72 46.12 3lor s GLY 22 CO 0.36 1.03 -0.09 1.08 0.00 0.00 0.00 173.10 175.48 3lor s LEU 23 N -4.36 3.02 0.43 0.66 1.43 -1.26 -5.12 118.68 113.48 3lor s LEU 23 Ca 0.70 -0.12 0.03 0.00 -1.03 0.00 0.00 54.13 53.71 3lor s LEU 23 Cb -0.22 -1.66 0.00 0.00 0.03 0.00 0.00 46.19 44.34 3lor s LEU 23 CO 0.35 0.30 0.62 -0.94 0.23 0.00 0.00 176.35 176.91 3lor s SER 24 N -0.46 5.75 0.43 2.29 1.04 -1.26 -4.98 113.70 116.51 3lor s SER 24 Ca 0.06 0.01 0.11 0.00 0.48 0.00 0.00 55.95 56.61 3lor s SER 24 Cb -0.12 -1.22 0.94 0.00 0.10 0.00 0.00 66.02 65.72 3lor s SER 24 CO 0.02 -0.71 2.02 0.78 0.98 0.00 0.00 173.24 176.33 3lor h ASN 25 N 0.51 0.21 -0.65 7.02 2.35 -1.98 -1.89 115.58 121.16 3lor h ASN 25 Ca -0.45 -0.02 -0.08 0.00 -0.55 0.00 0.00 56.30 55.20 3lor h ASN 25 Cb 1.27 -0.05 -0.03 0.00 0.05 0.00 0.00 38.32 39.55 3lor h ASN 25 CO 0.54 0.26 0.11 -0.33 -1.65 0.00 0.00 177.43 176.35 3lor h GLU 26 N 0.24 1.09 -0.79 0.81 3.07 -1.96 -0.47 114.58 116.57 3lor h GLU 26 Ca 0.06 -0.29 -0.05 0.00 -0.50 0.00 0.00 59.36 58.58 3lor h GLU 26 Cb 0.16 -0.13 -0.03 0.00 -0.84 0.00 0.00 28.75 27.91 3lor h GLU 26 CO 0.00 0.99 0.30 -0.44 -1.40 0.00 0.00 179.01 178.47 3lor h ASP 27 N 1.02 1.09 0.99 1.42 3.32 -1.78 -3.02 116.42 119.46 3lor h ASP 27 Ca 0.20 -0.17 -0.06 0.00 0.02 0.00 0.00 57.03 57.02 3lor h ASP 27 Cb 0.43 -0.28 -0.01 0.00 0.22 0.00 0.00 39.33 39.69 3lor h ASP 27 CO 0.01 0.97 -0.27 -0.07 -1.72 0.00 0.00 179.24 178.16 3lor h LEU 28 N 1.15 0.00 -9.93 1.55 3.38 -1.11 -3.47 115.31 106.88 3lor h LEU 28 Ca 0.26 0.00 -0.53 0.00 0.09 0.00 0.00 57.88 57.70 3lor h LEU 28 Cb 0.23 0.00 0.09 0.00 0.09 0.00 0.00 40.66 41.07 3lor h LEU 28 CO -0.02 0.27 0.74 -0.60 0.09 0.00 0.00 178.44 178.92 3lor s ARG 29 N -3.57 4.18 0.00 1.13 3.52 -0.21 -1.93 118.95 122.08 3lor s ARG 29 Ca 0.01 2.47 0.00 0.00 -0.13 0.00 0.00 55.73 58.08 3lor s ARG 29 Cb 0.10 -3.00 0.00 0.00 -1.56 0.00 0.00 34.95 30.49 3lor s ARG 29 CO 0.66 -0.43 0.00 0.41 -0.81 0.00 0.00 175.30 175.12 3lor n GLY 30 N 0.56 0.79 3.25 8.12 0.00 0.14 -5.03 105.19 113.01 3lor n GLY 30 Ca 0.01 0.00 -0.24 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 -0.36 1.18 0.22 1.61 3.01 -0.81 -4.88 119.74 119.71 3lor s LYS 31 Ca 0.00 -1.03 -0.30 0.00 -1.01 0.00 0.00 55.97 53.63 3lor s LYS 31 Cb 0.00 -1.35 -0.09 0.00 -1.01 0.00 0.00 37.83 35.38 3lor s LYS 31 CO 0.00 0.33 1.20 0.08 0.51 0.00 0.00 175.35 177.46 3lor s VAL 32 N -1.01 3.42 -0.14 3.17 1.01 -0.83 -3.58 120.40 122.44 3lor s VAL 32 Ca 0.06 1.27 -0.00 0.00 0.00 0.00 0.00 61.98 63.31 3lor s VAL 32 Cb -0.09 -3.81 -0.01 0.00 0.00 0.00 0.00 36.38 32.46 3lor s VAL 32 CO 0.03 0.24 -0.13 -0.69 0.00 0.00 0.00 175.10 174.54 3lor s VAL 33 N -0.42 2.97 -0.23 2.92 1.01 -0.20 -1.54 120.40 124.91 3lor s VAL 33 Ca 0.51 -0.68 -0.04 0.00 0.00 0.00 0.00 61.98 61.77 3lor s VAL 33 Cb -0.34 -2.25 -0.00 0.00 0.00 0.00 0.00 36.38 33.79 3lor s VAL 33 CO 0.40 0.52 -0.04 -0.69 0.00 0.00 0.00 175.10 175.29 3lor s VAL 34 N 0.46 3.34 -0.22 2.92 1.01 -0.10 -1.35 120.40 126.45 3lor s VAL 34 Ca -0.10 -0.60 -0.04 0.00 0.00 0.00 0.00 61.98 61.24 3lor s VAL 34 Cb -0.16 -2.57 -0.01 0.00 0.00 0.00 0.00 36.38 33.65 3lor s VAL 34 CO 0.05 0.35 -0.03 -0.69 0.00 0.00 0.00 175.10 174.78 3lor s VAL 35 N 1.45 3.46 -0.42 2.92 1.01 0.58 -1.08 120.40 128.33 3lor s VAL 35 Ca 0.05 -0.46 -0.16 0.00 0.00 0.00 0.00 61.98 61.40 3lor s VAL 35 Cb -0.15 -2.58 0.02 0.00 0.00 0.00 0.00 36.38 33.68 3lor s VAL 35 CO -0.03 0.42 0.37 -0.70 0.00 0.00 0.00 175.10 175.16 3lor s GLU 36 N 1.45 3.03 -0.31 2.72 2.56 0.22 -1.37 118.70 127.00 3lor s GLU 36 Ca 0.05 -0.92 -0.18 0.00 0.00 0.00 0.00 54.97 53.93 3lor s GLU 36 Cb -0.14 -3.98 -0.01 0.00 2.00 0.00 0.00 34.13 31.99 3lor s GLU 36 CO -0.02 -0.82 0.53 0.08 -0.56 0.00 0.00 175.26 174.47 3lor s VAL 37 N 1.90 5.02 0.10 3.70 1.01 -0.04 -0.97 120.40 131.12 3lor s VAL 37 Ca 0.08 0.62 -0.02 0.00 0.00 0.00 0.00 61.98 62.66 3lor s VAL 37 Cb -0.18 -3.92 -0.03 0.00 0.00 0.00 0.00 36.38 32.24 3lor s VAL 37 CO 0.12 -0.10 0.06 0.72 0.00 0.00 0.00 175.10 175.90 3lor s PHE 38 N 2.40 0.65 0.00 5.22 -0.12 -0.35 -1.99 117.98 123.80 3lor s PHE 38 Ca 0.21 -1.09 0.00 0.00 -0.05 0.00 0.00 56.93 56.00 3lor s PHE 38 Cb -0.15 -0.38 0.00 0.00 -0.63 0.00 0.00 43.02 41.86 3lor s PHE 38 CO 0.12 -0.49 0.00 1.04 -0.05 0.00 0.00 175.22 175.83 3lor n GLN 39 N -0.03 3.48 0.00 1.99 6.02 -1.26 -2.22 117.38 125.36 3lor n GLN 39 Ca -0.09 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.90 3lor n GLN 39 Cb 0.63 0.00 0.00 0.00 1.02 0.00 0.00 30.24 31.89 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 -4.72 1.08 4.77 -1.26 -4.66 117.00 112.21 3lor n LEU 41 Ca 0.00 0.00 -0.36 0.00 -0.03 0.00 0.00 56.01 55.62 3lor n LEU 41 Cb 0.00 0.00 -0.08 0.00 -2.33 0.00 0.00 43.42 41.01 3lor n LEU 41 CO 0.00 0.00 -0.14 0.00 -1.33 0.00 0.00 177.39 175.92 3lor h PRO 43 N 6.77 1.23 -0.70 0.00 0.11 -1.96 -0.25 132.00 137.20 3lor h PRO 43 Ca -0.41 -0.17 -0.03 0.00 0.11 0.00 0.00 66.00 65.50 3lor h PRO 43 Cb 1.16 -0.23 -0.03 0.00 0.11 0.00 0.00 31.00 32.01 3lor h PRO 43 CO 0.75 0.93 0.32 0.78 -0.21 0.00 0.00 178.00 180.58 3lor h GLY 44 N 1.22 1.08 0.69 -0.55 0.00 -1.94 0.11 103.07 103.69 3lor h GLY 44 Ca 0.30 -0.55 -0.01 0.00 0.00 0.00 0.00 47.33 47.07 3lor h GLY 44 CO -0.04 0.52 -0.06 0.00 0.00 0.00 0.00 176.54 176.95 3lor h VAL 46 N -0.49 1.24 -0.39 0.00 2.07 -0.89 0.61 116.25 118.39 3lor h VAL 46 Ca -0.02 -0.80 -0.11 0.00 0.82 0.00 0.00 66.70 66.59 3lor h VAL 46 Cb 0.39 1.29 -0.01 0.00 -1.52 0.00 0.00 31.29 31.44 3lor h VAL 46 CO 0.03 0.25 -0.19 0.78 0.02 0.00 0.00 177.57 178.47 3lor h ASN 47 N 0.21 0.84 0.00 0.57 2.35 -0.90 -3.42 115.58 115.23 3lor h ASN 47 Ca 0.07 -0.40 0.00 0.00 -0.55 0.00 0.00 56.30 55.42 3lor h ASN 47 Cb 0.35 -0.23 0.00 0.00 0.05 0.00 0.00 38.32 38.49 3lor h ASN 47 CO 0.01 1.06 0.00 1.57 -1.65 0.00 0.00 177.43 178.41 3lor n HIS 48 N -4.25 -0.35 -0.08 1.19 -0.00 -0.64 -4.77 115.22 106.32 3lor n HIS 48 Ca -0.02 0.06 -0.10 0.00 0.46 0.00 0.00 57.72 58.13 3lor n HIS 48 Cb 0.42 0.08 -0.02 0.00 -0.12 0.00 0.00 29.99 30.35 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 0.42 0.92 1.57 0.00 -1.26 -1.89 103.07 102.83 3lor h GLY 49 Ca 0.00 -0.19 -0.01 0.00 0.00 0.00 0.00 47.33 47.13 3lor h GLY 49 CO 0.00 0.18 0.11 -2.08 0.00 0.00 0.00 176.54 174.75 3lor h VAL 50 N 0.34 1.16 -0.51 4.60 2.07 -1.13 -2.11 116.25 120.67 3lor h VAL 50 Ca 0.10 -0.48 -0.03 0.00 0.82 0.00 0.00 66.70 67.12 3lor h VAL 50 Cb 0.06 1.00 -0.02 0.00 -1.52 0.00 0.00 31.29 30.81 3lor h VAL 50 CO -0.02 0.16 0.20 -0.65 0.02 0.00 0.00 177.57 177.29 3lor h PRO 51 N 0.27 0.73 -0.75 1.57 0.11 -1.75 -1.47 132.00 130.71 3lor h PRO 51 Ca 0.09 -0.11 -0.00 0.00 0.11 0.00 0.00 66.00 66.09 3lor h PRO 51 Cb 0.15 -0.13 -0.04 0.00 0.11 0.00 0.00 31.00 31.09 3lor h PRO 51 CO -0.01 0.61 0.45 0.37 -0.21 0.00 0.00 178.00 179.21 3lor h GLN 52 N 0.73 1.03 -0.76 1.05 4.15 -1.20 -1.40 115.11 118.70 3lor h GLN 52 Ca 0.18 -0.09 -0.02 0.00 0.77 0.00 0.00 58.65 59.48 3lor h GLN 52 Cb 0.15 -0.21 -0.04 0.00 0.21 0.00 0.00 27.48 27.59 3lor h GLN 52 CO -0.02 0.73 0.41 0.00 -1.93 0.00 0.00 178.83 178.02 3lor h ALA 53 N 1.24 0.97 -0.78 3.38 0.00 -0.65 -1.95 119.26 121.47 3lor h ALA 53 Ca 0.27 -0.12 -0.04 0.00 0.00 0.00 0.00 54.91 55.01 3lor h ALA 53 Cb -0.03 -0.30 -0.03 0.00 0.00 0.00 0.00 17.79 17.42 3lor h ALA 53 CO -0.05 0.49 0.32 1.96 0.00 0.00 0.00 179.25 181.97 3lor h GLN 54 N 1.05 1.16 -0.68 0.00 4.20 -0.98 -1.58 115.11 118.28 3lor h GLN 54 Ca 0.26 -0.20 -0.03 0.00 0.06 0.00 0.00 58.65 58.74 3lor h GLN 54 Cb 0.05 -0.19 -0.03 0.00 0.30 0.00 0.00 27.48 27.61 3lor h GLN 54 CO -0.04 0.93 0.30 -0.22 -0.67 0.00 0.00 178.83 179.13 3lor h LYS 55 N 1.13 0.99 -0.39 1.46 3.64 -0.98 -0.78 116.57 121.63 3lor h LYS 55 Ca 0.26 -0.16 -0.01 0.00 -1.27 0.00 0.00 60.65 59.47 3lor h LYS 55 Cb 0.20 -0.17 -0.02 0.00 -0.41 0.00 0.00 32.23 31.83 3lor h LYS 55 CO -0.02 0.80 0.19 0.82 -2.27 0.00 0.00 179.45 178.97 3lor h ILE 56 N 0.95 1.17 -0.63 2.00 2.04 -0.96 -3.04 117.51 119.02 3lor h ILE 56 Ca 0.23 -0.48 -0.00 0.00 1.00 0.00 0.00 64.86 65.61 3lor h ILE 56 Cb 0.15 0.77 -0.03 0.00 -0.74 0.00 0.00 36.82 36.98 3lor h ILE 56 CO -0.02 0.18 0.39 -0.74 0.00 0.00 0.00 178.15 177.96 3lor h HIS 57 N 0.49 0.83 0.00 1.37 2.76 -0.84 -0.17 115.15 119.59 3lor h HIS 57 Ca 0.13 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.31 3lor h HIS 57 Cb 0.12 -0.27 0.00 0.00 1.55 0.00 0.00 27.41 28.80 3lor h HIS 57 CO -0.01 0.56 0.00 0.54 -1.30 0.00 0.00 177.93 177.71 3lor n ARG 58 N -4.60 0.43 -0.43 5.26 1.74 -0.34 -4.74 116.66 113.98 3lor n ARG 58 Ca 0.05 0.00 -0.16 0.00 -0.77 0.00 0.00 57.85 56.97 3lor n ARG 58 Cb 0.05 -1.19 -0.02 0.00 -1.02 0.00 0.00 32.46 30.28 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 0.18 0.24 -2.15 0.55 5.41 -0.08 -5.09 119.36 118.42 3lor n ILE 60 Ca 0.00 -0.06 -0.36 0.00 1.00 0.00 0.00 62.75 63.33 3lor n ILE 60 Cb 0.09 0.00 0.01 0.00 -0.71 0.00 0.00 39.64 39.03 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 -0.12 5.64 0.00 4.38 2.15 -1.26 -4.78 116.67 122.67 3lor s ASP 61 Ca 0.24 2.31 0.18 0.00 0.43 0.00 0.00 52.55 55.71 3lor s ASP 61 Cb -0.33 -2.60 0.80 0.00 -0.30 0.00 0.00 42.92 40.49 3lor s ASP 61 CO 0.17 -1.28 1.56 -0.62 -0.17 0.00 0.00 175.17 174.83 3lor n GLU 62 N -1.17 0.07 0.23 4.34 1.02 -1.25 -1.56 120.64 122.31 3lor n GLU 62 Ca 0.11 0.17 0.16 0.00 -0.02 0.00 0.00 57.16 57.58 3lor n GLU 62 Cb 0.49 -1.50 0.64 0.00 -0.02 0.00 0.00 31.44 31.05 3lor n GLU 62 CO 0.00 0.00 0.00 0.66 1.18 0.00 0.00 177.13 178.97 3lor h SER 63 N 0.00 0.00 0.00 1.62 4.64 -2.00 -3.38 113.55 114.43 3lor h SER 63 Ca 0.00 0.00 -0.10 0.00 -0.47 0.00 0.00 61.79 61.22 3lor h SER 63 Cb 0.27 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.34 3lor h SER 63 CO 0.00 0.00 -1.21 0.00 -0.87 0.00 0.00 176.83 174.75 3lor n GLN 64 N -2.82 0.15 -4.92 4.77 1.13 -0.60 -4.85 117.38 110.24 3lor n GLN 64 Ca 0.01 0.07 -0.29 0.00 -1.94 0.00 0.00 57.00 54.85 3lor n GLN 64 Cb 0.27 -0.76 -0.17 0.00 0.11 0.00 0.00 30.24 29.70 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 -2.15 1.66 -0.22 5.09 1.01 -0.67 -1.96 120.40 123.15 3lor s VAL 65 Ca -0.10 -0.78 -0.08 0.00 0.00 0.00 0.00 61.98 61.01 3lor s VAL 65 Cb 0.03 -1.46 -0.04 0.00 0.00 0.00 0.00 36.38 34.91 3lor s VAL 65 CO 0.13 0.47 0.09 -1.58 0.00 0.00 0.00 175.10 174.21 3lor s GLN 66 N 0.51 3.89 -0.17 2.72 2.00 -0.59 -3.95 119.66 124.07 3lor s GLN 66 Ca -0.16 -0.37 -0.12 0.00 -2.00 0.00 0.00 55.36 52.70 3lor s GLN 66 Cb -0.17 -3.34 -0.05 0.00 0.80 0.00 0.00 33.01 30.25 3lor s GLN 66 CO 0.06 0.06 0.22 0.08 -0.50 0.00 0.00 175.29 175.21 3lor s VAL 67 N 0.99 5.35 -0.05 1.34 1.01 -1.26 -0.93 120.40 126.86 3lor s VAL 67 Ca 0.05 0.39 0.04 0.00 0.00 0.00 0.00 61.98 62.46 3lor s VAL 67 Cb -0.14 -3.55 0.00 0.00 0.00 0.00 0.00 36.38 32.69 3lor s VAL 67 CO 0.03 0.44 -0.15 -0.63 0.00 0.00 0.00 175.10 174.78 3lor s ILE 68 N 0.23 1.31 -0.13 2.22 1.01 -0.24 -4.10 121.20 121.51 3lor s ILE 68 Ca 0.13 -0.64 -0.14 0.00 0.00 0.00 0.00 60.65 60.00 3lor s ILE 68 Cb -0.12 -1.14 -0.05 0.00 0.01 0.00 0.00 42.46 41.16 3lor s ILE 68 CO 0.02 0.38 0.33 -0.83 0.00 0.00 0.00 174.94 174.85 3lor s GLY 69 N 0.18 2.27 -0.18 6.18 0.00 0.90 -0.61 107.32 116.06 3lor s GLY 69 Ca -0.06 -0.39 0.00 0.00 0.00 0.00 0.00 44.72 44.28 3lor s GLY 69 CO 0.02 0.42 -0.10 -2.27 0.00 0.00 0.00 173.10 171.17 3lor s LEU 70 N 0.24 1.97 -0.54 0.66 2.96 -0.14 0.26 118.68 124.09 3lor s LEU 70 Ca 0.19 -0.72 -0.22 0.00 -0.22 0.00 0.00 54.13 53.16 3lor s LEU 70 Cb -0.14 -1.15 0.05 0.00 0.50 0.00 0.00 46.19 45.45 3lor s LEU 70 CO 0.06 -0.13 0.79 -2.28 -1.32 0.00 0.00 176.35 173.48 3lor s HIS 71 N 1.47 2.91 -0.47 5.38 5.65 0.74 -1.21 115.29 129.76 3lor s HIS 71 Ca 0.01 -0.31 -0.06 0.00 0.25 0.00 0.00 55.06 54.95 3lor s HIS 71 Cb -0.15 -3.84 0.12 0.00 -1.18 0.00 0.00 32.58 27.54 3lor s HIS 71 CO -0.09 -1.22 0.30 -1.12 -0.65 0.00 0.00 174.74 171.97 3lor s SER 72 N 2.84 5.48 -0.25 9.88 0.01 -0.94 -1.72 113.70 129.00 3lor s SER 72 Ca 0.22 -2.10 -0.17 0.00 1.31 0.00 0.00 55.95 55.22 3lor s SER 72 Cb -0.16 -1.92 -0.03 0.00 0.21 0.00 0.00 66.02 64.12 3lor s SER 72 CO 0.15 -0.59 0.48 -0.69 0.41 0.00 0.00 173.24 173.00 3lor s VAL 73 N 1.07 5.11 -0.18 3.43 1.01 -1.26 -4.62 120.40 124.96 3lor s VAL 73 Ca 0.08 0.81 0.01 0.00 0.00 0.00 0.00 61.98 62.89 3lor s VAL 73 Cb -0.24 -3.79 0.01 0.00 0.00 0.00 0.00 36.38 32.36 3lor s VAL 73 CO -0.03 0.13 0.56 2.22 0.00 0.00 0.00 175.10 177.98 3lor n PHE 74 N 5.27 0.00 -3.88 5.22 1.16 -1.26 -4.48 117.46 119.50 3lor n PHE 74 Ca -0.05 -0.01 -0.10 0.00 -1.87 0.00 0.00 57.45 55.41 3lor n PHE 74 Cb 0.50 -0.00 -0.09 0.00 -1.61 0.00 0.00 39.48 38.28 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 -0.14 0.60 -1.39 3.97 -1.05 -1.26 -4.63 118.70 114.79 3lor s GLU 75 Ca 0.02 -0.61 -0.07 0.00 -0.15 0.00 0.00 54.97 54.15 3lor s GLU 75 Cb 0.01 0.24 0.03 0.00 -0.44 0.00 0.00 34.13 33.98 3lor s GLU 75 CO 0.02 -0.16 0.97 0.72 0.95 0.00 0.00 175.26 177.76 3lor n HIS 76 N 0.93 -2.34 -0.25 4.83 8.25 -1.26 -4.87 115.22 120.52 3lor n HIS 76 Ca -0.20 0.92 0.03 0.00 -0.26 0.00 0.00 57.72 58.21 3lor n HIS 76 Cb 0.58 -4.50 0.26 0.00 1.12 0.00 0.00 29.99 27.45 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 -2.17 0.95 0.00 4.41 3.86 -1.93 -2.35 115.15 117.93 3lor h HIS 77 Ca -0.59 0.02 -0.03 0.00 -1.16 0.00 0.00 60.37 58.61 3lor h HIS 77 Cb 1.37 -0.32 -0.00 0.00 1.06 0.00 0.00 27.41 29.51 3lor h HIS 77 CO 0.51 0.54 -0.15 0.38 0.86 0.00 0.00 177.93 180.07 3lor h ASP 78 N 0.98 0.00 -0.32 2.45 2.03 -2.03 -3.24 116.42 116.28 3lor h ASP 78 Ca 0.33 0.00 -0.22 0.00 -0.73 0.00 0.00 57.03 56.41 3lor h ASP 78 Cb 0.08 0.00 -0.09 0.00 -0.83 0.00 0.00 39.33 38.48 3lor h ASP 78 CO -0.10 0.15 0.28 0.52 -1.03 0.00 0.00 179.24 179.06 3lor n VAL 79 N -4.13 2.50 0.00 4.15 0.31 -0.89 -5.09 118.33 115.18 3lor n VAL 79 Ca -0.02 -1.26 0.00 0.00 -0.01 0.00 0.00 64.34 63.05 3lor n VAL 79 Cb 0.23 -1.37 0.00 0.00 -0.91 0.00 0.00 33.84 31.79 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 0.69 0.00 0.00 2.52 -2.24 -1.23 -4.88 114.28 109.14 3lor n THR 81 Ca 0.20 0.00 0.03 0.00 -2.27 0.00 0.00 64.05 62.01 3lor n THR 81 Cb 0.56 0.00 0.40 0.00 -2.10 0.00 0.00 70.33 69.19 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 0.53 -0.47 -0.78 0.11 -1.98 -0.87 132.00 128.53 3lor h PRO 82 Ca 0.00 -0.05 -0.04 0.00 0.11 0.00 0.00 66.00 66.02 3lor h PRO 82 Cb 0.00 -0.11 -0.02 0.00 0.11 0.00 0.00 31.00 30.98 3lor h PRO 82 CO 0.00 0.40 0.13 0.93 -0.21 0.00 0.00 178.00 179.25 3lor h GLU 83 N 0.54 0.75 -0.62 1.05 3.07 -1.99 -2.10 114.58 115.28 3lor h GLU 83 Ca 0.14 -0.17 -0.04 0.00 -0.50 0.00 0.00 59.36 58.79 3lor h GLU 83 Cb 0.03 -0.10 -0.03 0.00 -0.84 0.00 0.00 28.75 27.81 3lor h GLU 83 CO -0.02 0.72 0.23 0.00 -1.40 0.00 0.00 179.01 178.54 3lor h ALA 84 N 0.99 1.25 -0.73 3.43 0.00 -1.78 -2.54 119.26 119.89 3lor h ALA 84 Ca 0.15 -0.17 -0.03 0.00 0.00 0.00 0.00 54.91 54.86 3lor h ALA 84 Cb 0.30 -0.25 -0.03 0.00 0.00 0.00 0.00 17.79 17.81 3lor h ALA 84 CO -0.00 0.54 0.33 1.25 0.00 0.00 0.00 179.25 181.38 3lor h LEU 85 N 0.89 0.95 -1.00 0.00 6.46 -0.97 -1.69 115.31 119.95 3lor h LEU 85 Ca 0.21 -0.11 -0.04 0.00 -0.12 0.00 0.00 57.88 57.81 3lor h LEU 85 Cb 0.19 -0.24 -0.03 0.00 -0.73 0.00 0.00 40.66 39.85 3lor h LEU 85 CO -0.02 0.82 0.25 0.11 -0.62 0.00 0.00 178.44 178.98 3lor h LYS 86 N 1.04 0.97 -0.55 1.25 1.57 -0.95 -0.82 116.57 119.07 3lor h LYS 86 Ca 0.25 -0.16 -0.10 0.00 -1.87 0.00 0.00 60.65 58.77 3lor h LYS 86 Cb 0.13 -0.16 -0.02 0.00 0.08 0.00 0.00 32.23 32.26 3lor h LYS 86 CO -0.03 0.80 -0.04 0.28 -0.57 0.00 0.00 179.45 179.89 3lor h VAL 87 N 0.95 1.27 -0.59 0.50 2.07 -1.33 -2.84 116.25 116.27 3lor h VAL 87 Ca 0.22 -1.17 -0.00 0.00 0.82 0.00 0.00 66.70 66.56 3lor h VAL 87 Cb 0.20 0.92 -0.03 0.00 -1.52 0.00 0.00 31.29 30.86 3lor h VAL 87 CO -0.02 0.42 0.36 0.15 0.02 0.00 0.00 177.57 178.50 3lor h PHE 88 N 0.87 0.78 -0.65 1.57 3.57 -0.77 -1.79 116.94 120.53 3lor h PHE 88 Ca 0.15 -0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.64 3lor h PHE 88 Cb 0.59 -0.26 -0.03 0.00 2.79 0.00 0.00 35.95 39.04 3lor h PHE 88 CO 0.04 0.54 0.37 0.82 -2.23 0.00 0.00 178.31 177.85 3lor h ILE 89 N 0.80 1.20 -0.12 1.41 2.04 -1.11 -1.65 117.51 120.08 3lor h ILE 89 Ca 0.21 -0.47 -0.01 0.00 1.00 0.00 0.00 64.86 65.58 3lor h ILE 89 Cb -0.01 0.34 -0.00 0.00 -0.74 0.00 0.00 36.82 36.40 3lor h ILE 89 CO -0.04 0.21 0.02 -0.78 0.00 0.00 0.00 178.15 177.56 3lor h ASP 90 N 0.88 0.19 -0.95 1.72 3.58 -1.31 -1.57 116.42 118.96 3lor h ASP 90 Ca 0.23 -0.27 -0.00 0.00 0.42 0.00 0.00 57.03 57.41 3lor h ASP 90 Cb 0.01 -0.05 -0.05 0.00 1.72 0.00 0.00 39.33 40.97 3lor h ASP 90 CO -0.04 0.41 0.58 -0.33 -2.88 0.00 0.00 179.24 176.98 3lor h GLU 91 N -0.03 1.29 -0.08 0.28 4.39 -1.19 -2.75 114.58 116.49 3lor h GLU 91 Ca 0.04 -0.11 0.00 0.00 0.34 0.00 0.00 59.36 59.62 3lor h GLU 91 Cb 0.30 -0.27 0.00 0.00 -0.10 0.00 0.00 28.75 28.68 3lor h GLU 91 CO 0.00 0.89 0.00 1.19 -1.16 0.00 0.00 179.01 179.94 3lor n PHE 92 N -4.35 0.08 -3.15 4.33 3.01 -0.63 -4.96 117.46 111.78 3lor n PHE 92 Ca 0.11 -0.04 -0.22 0.00 1.01 0.00 0.00 57.45 58.30 3lor n PHE 92 Cb 0.05 0.00 0.05 0.00 -0.01 0.00 0.00 39.48 39.57 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 1.23 -0.51 3.67 1.37 0.00 -0.78 -4.95 105.19 105.23 3lor n GLY 93 Ca 0.17 0.15 -0.43 0.00 0.00 0.00 0.00 46.02 45.91 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 -3.21 4.36 -0.98 -0.61 1.01 -0.66 -4.89 121.20 116.22 3lor s ILE 94 Ca 0.37 1.65 0.13 0.00 0.00 0.00 0.00 60.65 62.81 3lor s ILE 94 Cb -0.16 -4.07 -0.06 0.00 0.01 0.00 0.00 42.46 38.18 3lor s ILE 94 CO 0.46 -0.09 0.67 0.29 0.00 0.00 0.00 174.94 176.27 3lor n LYS 95 N 6.03 2.22 -1.96 2.79 5.02 -1.26 -4.86 118.16 126.14 3lor n LYS 95 Ca 0.12 -0.42 -0.31 0.00 -2.02 0.00 0.00 58.31 55.68 3lor n LYS 95 Cb 0.46 -1.16 0.01 0.00 -0.02 0.00 0.00 35.03 34.31 3lor n LYS 95 CO 0.00 0.00 0.00 -0.59 -0.52 0.00 0.00 177.40 176.29 3lor s PHE 96 N -1.90 3.61 0.23 2.13 -0.71 -1.26 -5.01 117.98 115.07 3lor s PHE 96 Ca 0.09 1.27 -0.30 0.00 -1.04 0.00 0.00 56.93 56.95 3lor s PHE 96 Cb 0.10 -2.70 -0.09 0.00 -1.21 0.00 0.00 43.02 39.12 3lor s PHE 96 CO 0.42 -0.64 1.35 -2.14 -1.34 0.00 0.00 175.22 172.88 3lor s PRO 97 N -5.06 4.35 -0.11 1.99 0.02 -1.26 -4.80 135.00 130.13 3lor s PRO 97 Ca 0.55 2.15 0.04 0.00 0.02 0.00 0.00 61.00 63.76 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 0.52 -0.30 -0.24 0.08 -0.33 0.00 0.00 177.00 176.73 3lor s VAL 98 N -0.06 2.06 0.16 3.83 1.01 -1.26 -0.07 120.40 126.07 3lor s VAL 98 Ca 0.57 -1.01 0.10 0.00 0.00 0.00 0.00 61.98 61.63 3lor s VAL 98 Cb -0.39 -1.78 -0.04 0.00 0.00 0.00 0.00 36.38 34.17 3lor s VAL 98 CO 0.41 0.56 -0.17 0.00 0.00 0.00 0.00 175.10 175.90 3lor s ALA 99 N 0.43 2.72 -0.26 5.51 0.00 0.14 -2.07 121.76 128.23 3lor s ALA 99 Ca -0.17 -1.47 -0.10 0.00 0.00 0.00 0.00 51.96 50.22 3lor s ALA 99 Cb -0.18 -0.59 -0.05 0.00 0.00 0.00 0.00 23.12 22.31 3lor s ALA 99 CO 0.07 0.51 0.16 0.08 0.00 0.00 0.00 175.76 176.57 3lor s VAL 100 N -1.47 5.16 0.00 0.00 1.01 -0.67 -0.18 120.40 124.25 3lor s VAL 100 Ca 0.21 0.11 0.00 0.00 0.00 0.00 0.00 61.98 62.30 3lor s VAL 100 Cb -0.09 -3.43 0.00 0.00 0.00 0.00 0.00 36.38 32.86 3lor s VAL 100 CO 0.12 0.31 0.00 -0.67 0.00 0.00 0.00 175.10 174.85 3lor n ASP 101 N 4.68 0.00 -4.11 3.32 -0.08 -0.70 -1.10 116.55 118.56 3lor n ASP 101 Ca -0.15 0.00 -0.16 0.00 -1.51 0.00 0.00 54.79 52.98 3lor n ASP 101 Cb 0.52 0.00 -0.12 0.00 2.34 0.00 0.00 41.12 43.86 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 0.67 -0.17 -0.67 0.04 -1.26 -4.46 135.00 129.14 3lor s PRO 103 Ca 0.00 -0.82 -0.05 0.00 0.04 0.00 0.00 61.00 60.18 3lor s PRO 103 Cb 0.00 -0.55 -0.03 0.00 0.04 0.00 0.00 34.50 33.96 3lor s PRO 103 CO 0.00 0.12 -0.01 1.03 0.04 0.00 0.00 177.00 178.18 3lor s ARG 104 N -1.56 3.73 0.14 4.56 0.52 -1.26 -4.78 118.95 120.29 3lor s ARG 104 Ca -0.06 -0.48 -0.31 0.00 -0.52 0.00 0.00 55.73 54.36 3lor s ARG 104 Cb -0.10 -3.02 -0.10 0.00 0.52 0.00 0.00 34.95 32.25 3lor s ARG 104 CO 0.01 0.19 1.67 -1.83 0.02 0.00 0.00 175.30 175.37 3lor s GLU 105 N 0.52 4.18 0.00 3.54 4.04 -1.26 -1.97 118.70 127.75 3lor s GLU 105 Ca -0.01 2.45 0.00 0.00 0.04 0.00 0.00 54.97 57.45 3lor s GLU 105 Cb -0.14 -3.35 0.00 0.00 0.02 0.00 0.00 34.13 30.66 3lor s GLU 105 CO 0.02 -0.72 0.00 0.41 -1.84 0.00 0.00 175.26 173.13 3lor n GLY 106 N 3.96 1.55 3.23 -3.83 0.00 -1.26 -5.02 105.19 103.82 3lor n GLY 106 Ca 0.16 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.91 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 -0.38 1.65 0.29 1.61 -1.52 -0.83 -5.04 119.66 115.44 3lor s GLN 107 Ca 0.00 -0.78 0.00 0.00 -1.95 0.00 0.00 55.36 52.63 3lor s GLN 107 Cb 0.00 -1.62 0.43 0.00 -0.22 0.00 0.00 33.01 31.60 3lor s GLN 107 CO 0.00 0.44 1.80 0.00 -0.25 0.00 0.00 175.29 177.28 3lor h ARG 108 N 5.50 0.69 -6.04 2.91 3.08 -1.88 -3.41 114.38 115.23 3lor h ARG 108 Ca -0.40 -0.17 -0.57 0.00 0.07 0.00 0.00 59.98 58.91 3lor h ARG 108 Cb 1.14 -0.09 -0.06 0.00 0.08 0.00 0.00 29.97 31.05 3lor h ARG 108 CO 0.47 0.71 0.35 0.42 -1.07 0.00 0.00 179.97 180.85 3lor s ILE 109 N -4.97 4.90 0.80 2.04 -1.09 -1.26 -4.21 121.20 117.41 3lor s ILE 109 Ca -0.09 1.68 -0.12 0.00 -2.23 0.00 0.00 60.65 59.90 3lor s ILE 109 Cb 0.15 -4.16 0.07 0.00 -1.58 0.00 0.00 42.46 36.95 3lor s ILE 109 CO 0.79 0.08 1.11 -2.16 -1.23 0.00 0.00 174.94 173.53 3lor s PRO 110 N 1.77 2.03 0.05 2.79 0.04 -1.26 -4.41 135.00 136.01 3lor s PRO 110 Ca 0.41 0.54 -0.24 0.00 0.04 0.00 0.00 61.00 61.75 3lor s PRO 110 Cb -0.17 -1.92 -0.17 0.00 0.04 0.00 0.00 34.50 32.28 3lor s PRO 110 CO 0.16 -1.64 1.56 1.03 0.04 0.00 0.00 177.00 178.14 3lor h SER 111 N -1.10 -0.05 0.00 6.66 0.87 -1.86 -0.83 113.55 117.24 3lor h SER 111 Ca -0.47 -0.16 0.00 0.00 -1.23 0.00 0.00 61.79 59.92 3lor h SER 111 Cb 1.28 0.01 0.00 0.00 -0.44 0.00 0.00 62.40 63.25 3lor h SER 111 CO 0.60 0.13 0.00 0.41 -0.53 0.00 0.00 176.83 177.45 3lor n THR 112 N -5.03 0.12 0.00 2.23 -1.04 -1.26 -1.19 114.28 108.10 3lor n THR 112 Ca -0.08 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.93 3lor n THR 112 Cb 0.12 -0.43 0.00 0.00 -1.82 0.00 0.00 70.33 68.21 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 0.75 0.00 -0.30 -2.82 0.00 -0.32 -1.97 118.16 113.51 3lor n LYS 114 Ca 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 58.31 58.28 3lor n LYS 114 Cb 0.07 0.00 0.09 0.00 0.00 0.00 0.00 35.03 35.19 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 1.04 -0.32 1.64 3.64 -1.41 -1.54 116.57 119.62 3lor h LYS 115 Ca 0.00 -0.06 0.00 0.00 -1.27 0.00 0.00 60.65 59.32 3lor h LYS 115 Cb 0.00 -0.23 0.00 0.00 -0.41 0.00 0.00 32.23 31.59 3lor h LYS 115 CO 0.00 0.69 0.00 0.66 -2.27 0.00 0.00 179.45 178.53 3lor n TYR 116 N -4.54 0.41 -3.86 1.91 4.01 -0.83 -4.96 117.16 109.30 3lor n TYR 116 Ca 0.09 -0.20 -0.24 0.00 -0.16 0.00 0.00 57.90 57.39 3lor n TYR 116 Cb 0.05 0.00 -0.00 0.00 -0.31 0.00 0.00 39.34 39.07 3lor n TYR 116 CO 0.00 0.00 0.00 2.89 -0.46 0.00 0.00 176.86 179.29 3lor n ARG 117 N 1.31 -3.89 -2.03 -0.72 1.85 -0.58 -4.92 116.66 107.68 3lor n ARG 117 Ca 0.18 0.49 -0.41 0.00 -1.00 0.00 0.00 57.85 57.11 3lor n ARG 117 Cb 0.57 -4.77 -0.01 0.00 -1.05 0.00 0.00 32.46 27.19 3lor n ARG 117 CO 0.00 0.00 0.00 -0.51 -0.01 0.00 0.00 177.63 177.11 3lor s LEU 118 N -6.85 4.39 0.52 2.89 1.43 -1.26 -4.92 118.68 114.88 3lor s LEU 118 Ca 0.00 2.78 0.31 0.00 -1.03 0.00 0.00 54.13 56.19 3lor s LEU 118 Cb -0.00 -3.67 1.35 0.00 0.03 0.00 0.00 46.19 43.89 3lor s LEU 118 CO 0.86 -0.64 1.99 -0.33 0.23 0.00 0.00 176.35 178.45 3lor h GLU 119 N 3.23 0.00 0.00 1.70 5.08 -1.97 -3.48 114.58 119.15 3lor h GLU 119 Ca -0.49 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.87 3lor h GLU 119 Cb 1.23 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.48 3lor h GLU 119 CO 0.65 0.09 0.00 0.41 -1.00 0.00 0.00 179.01 179.16 3lor n GLY 120 N -0.15 0.06 3.35 -3.84 0.00 -1.26 -5.12 105.19 98.22 3lor n GLY 120 Ca -0.00 -1.37 -0.27 0.00 0.00 0.00 0.00 46.02 44.37 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 -3.10 2.06 0.52 2.61 -4.23 -1.26 -4.02 115.64 108.21 3lor s THR 121 Ca 0.00 -1.66 -0.18 0.00 -1.18 0.00 0.00 61.69 58.67 3lor s THR 121 Cb 0.00 -1.83 -0.07 0.00 1.34 0.00 0.00 72.50 71.94 3lor s THR 121 CO 0.00 0.05 1.02 -2.16 -0.54 0.00 0.00 174.62 172.99 3lor s PRO 122 N -1.96 3.73 0.07 3.99 0.04 -1.26 -4.84 135.00 134.77 3lor s PRO 122 Ca 0.11 1.18 0.03 0.00 0.04 0.00 0.00 61.00 62.36 3lor s PRO 122 Cb -0.10 -2.10 -0.03 0.00 0.04 0.00 0.00 34.50 32.31 3lor s PRO 122 CO 0.05 -0.46 -0.09 -1.12 0.04 0.00 0.00 177.00 175.41 3lor s SER 123 N -2.54 1.19 -0.04 6.66 0.01 -0.84 -1.51 113.70 116.64 3lor s SER 123 Ca 0.63 -0.69 0.06 0.00 1.31 0.00 0.00 55.95 57.26 3lor s SER 123 Cb -0.14 0.02 -0.02 0.00 0.21 0.00 0.00 66.02 66.10 3lor s SER 123 CO 0.27 -0.23 -0.22 -0.63 0.41 0.00 0.00 173.24 172.84 3lor s ILE 124 N -1.95 2.34 -0.13 1.44 1.01 -0.31 -0.86 121.20 122.72 3lor s ILE 124 Ca -0.02 -0.99 0.02 0.00 0.00 0.00 0.00 60.65 59.67 3lor s ILE 124 Cb -0.06 -1.85 0.01 0.00 0.01 0.00 0.00 42.46 40.56 3lor s ILE 124 CO -0.00 0.58 -0.21 -0.63 0.00 0.00 0.00 174.94 174.67 3lor s ILE 125 N -0.51 2.15 -0.15 2.92 1.01 -0.47 -1.62 121.20 124.52 3lor s ILE 125 Ca 0.07 -0.96 -0.04 0.00 0.00 0.00 0.00 60.65 59.72 3lor s ILE 125 Cb -0.11 -1.85 -0.03 0.00 0.01 0.00 0.00 42.46 40.48 3lor s ILE 125 CO 0.01 0.55 -0.03 -0.76 0.00 0.00 0.00 174.94 174.70 3lor s LEU 126 N 0.71 3.30 0.14 2.97 1.43 -0.55 -0.31 118.68 126.37 3lor s LEU 126 Ca -0.09 -0.11 0.10 0.00 -1.03 0.00 0.00 54.13 53.00 3lor s LEU 126 Cb -0.16 -1.79 -0.04 0.00 0.03 0.00 0.00 46.19 44.22 3lor s LEU 126 CO 0.01 0.18 -0.23 0.00 0.23 0.00 0.00 176.35 176.53 3lor s ALA 127 N 0.32 2.52 0.89 4.21 0.00 -0.46 -0.73 121.76 128.51 3lor s ALA 127 Ca -0.03 -1.46 -0.08 0.00 0.00 0.00 0.00 51.96 50.39 3lor s ALA 127 Cb -0.14 -0.47 0.15 0.00 0.00 0.00 0.00 23.12 22.66 3lor s ALA 127 CO 0.03 0.54 0.90 -0.40 0.00 0.00 0.00 175.76 176.82 3lor n ASP 128 N 0.74 0.37 0.31 0.00 3.85 -0.54 -1.03 116.55 120.25 3lor n ASP 128 Ca -0.16 -1.51 0.19 0.00 -0.71 0.00 0.00 54.79 52.60 3lor n ASP 128 Cb 0.53 -0.66 0.99 0.00 -1.35 0.00 0.00 41.12 40.64 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 -0.48 0.11 3.08 -1.87 -0.61 114.38 114.61 3lor h ARG 129 Ca -0.29 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.76 3lor h ARG 129 Cb 0.88 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.93 3lor h ARG 129 CO 0.23 0.02 0.00 1.63 -1.07 0.00 0.00 179.97 180.79 3lor n LYS 130 N -3.29 2.26 -1.02 0.04 5.02 -1.26 -0.69 118.16 119.22 3lor n LYS 130 Ca -0.02 -1.94 0.00 0.00 -2.02 0.00 0.00 58.31 54.33 3lor n LYS 130 Cb 0.15 -1.44 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 1.38 0.39 3.70 0.72 0.00 -0.24 -5.00 105.19 106.13 3lor n GLY 131 Ca 0.18 -1.08 -0.34 0.00 0.00 0.00 0.00 46.02 44.78 3lor n GLY 131 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 3lor s ARG 132 N -2.04 2.96 0.05 1.61 1.70 -1.26 -1.02 118.95 120.95 3lor s ARG 132 Ca 0.00 -0.45 -0.31 0.00 -0.47 0.00 0.00 55.73 54.50 3lor s ARG 132 Cb 0.00 -2.78 -0.07 0.00 -0.57 0.00 0.00 34.95 31.53 3lor s ARG 132 CO 0.00 0.68 1.42 0.42 -1.08 0.00 0.00 175.30 176.74 3lor s ILE 133 N -0.96 3.51 -0.02 4.99 1.01 -0.77 -1.46 121.20 127.49 3lor s ILE 133 Ca 0.15 0.98 0.04 0.00 0.00 0.00 0.00 60.65 61.83 3lor s ILE 133 Cb -0.11 -3.63 -0.06 0.00 0.01 0.00 0.00 42.46 38.67 3lor s ILE 133 CO 0.05 0.03 0.05 0.54 0.00 0.00 0.00 174.94 175.61 3lor n ARG 134 N 4.90 1.84 -3.81 2.79 5.12 0.10 -4.70 116.66 122.89 3lor n ARG 134 Ca 0.13 -0.02 -0.12 0.00 -1.93 0.00 0.00 57.85 55.90 3lor n ARG 134 Cb 0.43 -1.10 -0.12 0.00 -1.16 0.00 0.00 32.46 30.51 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 -2.19 0.27 -0.10 5.56 -1.52 -1.15 -5.00 119.66 115.53 3lor s GLN 135 Ca -0.02 0.20 -0.00 0.00 -1.95 0.00 0.00 55.36 53.59 3lor s GLN 135 Cb 0.02 0.13 0.02 0.00 -0.22 0.00 0.00 33.01 32.96 3lor s GLN 135 CO 0.17 -0.04 -0.07 0.08 -0.25 0.00 0.00 175.29 175.18 3lor s VAL 136 N -0.07 0.92 -0.08 1.09 1.01 -1.26 -1.48 120.40 120.53 3lor s VAL 136 Ca -0.02 -0.24 0.01 0.00 0.00 0.00 0.00 61.98 61.73 3lor s VAL 136 Cb -0.02 -0.95 0.02 0.00 0.00 0.00 0.00 36.38 35.43 3lor s VAL 136 CO 0.00 0.35 -0.09 -1.58 0.00 0.00 0.00 175.10 173.78 3lor s GLN 137 N 1.62 1.51 0.20 2.72 0.74 -0.64 -4.98 119.66 120.83 3lor s GLN 137 Ca 0.02 -0.31 -0.17 0.00 0.05 0.00 0.00 55.36 54.95 3lor s GLN 137 Cb -0.13 -1.39 -0.08 0.00 1.10 0.00 0.00 33.01 32.51 3lor s GLN 137 CO -0.06 -0.10 0.67 0.12 -0.55 0.00 0.00 175.29 175.36 3lor s PHE 138 N 1.10 3.61 0.00 1.67 5.36 -1.26 -1.17 117.98 127.29 3lor s PHE 138 Ca -0.07 1.27 0.00 0.00 -0.96 0.00 0.00 56.93 57.17 3lor s PHE 138 Cb -0.14 -2.53 0.00 0.00 -0.34 0.00 0.00 43.02 40.01 3lor s PHE 138 CO -0.01 0.35 0.00 0.41 -1.46 0.00 0.00 175.22 174.51 3lor n GLY 139 N 0.67 -1.76 3.72 13.12 0.00 -0.57 -4.88 105.19 115.48 3lor n GLY 139 Ca -0.03 -1.59 -0.42 0.00 0.00 0.00 0.00 46.02 43.98 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 4.41 -0.11 1.61 0.74 -1.26 -4.82 119.66 120.23 3lor s GLN 140 Ca 0.00 1.87 0.03 0.00 0.05 0.00 0.00 55.36 57.30 3lor s GLN 140 Cb 0.00 -3.31 -0.00 0.00 1.10 0.00 0.00 33.01 30.80 3lor s GLN 140 CO 0.00 -0.29 -0.20 0.08 -0.55 0.00 0.00 175.29 174.33 3lor s VAL 141 N 0.95 2.37 0.49 1.34 1.01 -1.26 -5.10 120.40 120.20 3lor s VAL 141 Ca 0.60 -0.90 -0.23 0.00 0.00 0.00 0.00 61.98 61.45 3lor s VAL 141 Cb -0.32 -1.94 -0.06 0.00 0.00 0.00 0.00 36.38 34.06 3lor s VAL 141 CO 0.30 0.55 1.28 -0.62 0.00 0.00 0.00 175.10 176.61 3lor s ASP 142 N 0.38 5.76 0.19 3.32 2.15 -1.26 -4.88 116.67 122.33 3lor s ASP 142 Ca -0.16 2.58 -0.12 0.00 0.43 0.00 0.00 52.55 55.29 3lor s ASP 142 Cb -0.17 -2.62 0.10 0.00 -0.30 0.00 0.00 42.92 39.93 3lor s ASP 142 CO 0.07 -1.22 1.85 0.44 -0.17 0.00 0.00 175.17 176.14 3lor h ASP 143 N 1.87 0.74 -0.51 -0.34 5.19 -1.99 -2.22 116.42 119.15 3lor h ASP 143 Ca -0.50 -0.03 -0.01 0.00 -0.62 0.00 0.00 57.03 55.87 3lor h ASP 143 Cb 1.27 -0.18 -0.02 0.00 0.18 0.00 0.00 39.33 40.57 3lor h ASP 143 CO 0.59 0.55 0.30 0.15 -3.12 0.00 0.00 179.24 177.71 3lor h PHE 144 N 0.86 0.69 -0.68 4.55 3.57 -1.99 -1.41 116.94 122.52 3lor h PHE 144 Ca 0.23 -0.01 -0.03 0.00 3.53 0.00 0.00 57.97 61.69 3lor h PHE 144 Cb -0.07 -0.22 -0.03 0.00 2.79 0.00 0.00 35.95 38.41 3lor h PHE 144 CO -0.03 0.49 0.32 0.28 -2.23 0.00 0.00 178.31 177.15 3lor h VAL 145 N 0.69 1.23 -0.80 1.41 2.07 -1.90 -1.27 116.25 117.67 3lor h VAL 145 Ca 0.18 -0.66 -0.04 0.00 0.82 0.00 0.00 66.70 67.00 3lor h VAL 145 Cb 0.02 0.41 -0.04 0.00 -1.52 0.00 0.00 31.29 30.16 3lor h VAL 145 CO -0.03 0.27 0.34 0.25 0.02 0.00 0.00 177.57 178.42 3lor h LEU 146 N 0.95 1.09 -0.53 2.57 5.85 -1.26 -0.92 115.31 123.05 3lor h LEU 146 Ca 0.23 -0.16 -0.01 0.00 0.84 0.00 0.00 57.88 58.79 3lor h LEU 146 Cb 0.13 -0.28 -0.03 0.00 0.37 0.00 0.00 40.66 40.86 3lor h LEU 146 CO -0.03 0.94 0.31 1.23 -0.34 0.00 0.00 178.44 180.56 3lor h GLY 147 N 1.17 0.78 0.99 3.75 0.00 -0.93 -0.94 103.07 107.90 3lor h GLY 147 Ca 0.27 -0.33 -0.00 0.00 0.00 0.00 0.00 47.33 47.26 3lor h GLY 147 CO -0.03 0.32 0.33 1.41 0.00 0.00 0.00 176.54 178.58 3lor h LEU 148 N 0.72 0.68 -0.17 3.11 3.38 -0.72 0.88 115.31 123.18 3lor h LEU 148 Ca 0.19 -0.06 -0.01 0.00 0.09 0.00 0.00 57.88 58.09 3lor h LEU 148 Cb 0.00 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 40.58 3lor h LEU 148 CO -0.03 0.54 0.06 -0.07 0.09 0.00 0.00 178.44 179.02 3lor h LEU 149 N 0.76 0.25 -0.51 1.67 3.38 -0.82 -1.86 115.31 118.18 3lor h LEU 149 Ca 0.20 -0.19 -0.02 0.00 0.09 0.00 0.00 57.88 57.95 3lor h LEU 149 Cb -0.01 -0.07 -0.02 0.00 0.09 0.00 0.00 40.66 40.65 3lor h LEU 149 CO -0.04 0.38 0.22 -0.07 0.09 0.00 0.00 178.44 179.03 3lor h LEU 150 N 0.11 0.68 -0.99 1.67 3.38 -1.01 -2.74 115.31 116.41 3lor h LEU 150 Ca 0.06 -0.15 -0.01 0.00 0.09 0.00 0.00 57.88 57.87 3lor h LEU 150 Cb 0.21 -0.18 -0.04 0.00 0.09 0.00 0.00 40.66 40.75 3lor h LEU 150 CO -0.00 0.64 0.52 1.23 0.09 0.00 0.00 178.44 180.92 3lor h GLY 151 N 0.68 1.30 1.00 0.83 0.00 -0.72 -1.14 103.07 105.01 3lor h GLY 151 Ca 0.17 -0.56 -0.05 0.00 0.00 0.00 0.00 47.33 46.89 3lor h GLY 151 CO -0.02 0.54 0.14 0.23 0.00 0.00 0.00 176.54 177.43 3lor h SER 152 N 1.23 0.85 -0.47 0.19 0.87 -1.21 -3.01 113.55 111.99 3lor h SER 152 Ca 0.32 -0.23 -0.09 0.00 -1.23 0.00 0.00 61.79 60.56 3lor h SER 152 Cb -0.02 -0.22 -0.02 0.00 -0.44 0.00 0.00 62.40 61.69 3lor h SER 152 CO -0.06 0.85 -0.01 -0.07 -0.53 0.00 0.00 176.83 177.01 3lor h LEU 153 N 0.80 0.88 -1.45 2.23 3.38 -1.09 -3.10 115.31 116.95 3lor h LEU 153 Ca 0.18 -0.23 -0.03 0.00 0.09 0.00 0.00 57.88 57.89 3lor h LEU 153 Cb 0.33 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 40.83 3lor h LEU 153 CO 0.00 0.94 0.07 -0.07 0.09 0.00 0.00 178.44 179.48 3lor h LEU 154 N 0.83 0.40 -2.19 1.67 3.38 -1.13 -3.02 115.31 115.26 3lor h LEU 154 Ca 0.15 -0.05 0.00 0.00 0.09 0.00 0.00 57.88 58.08 3lor h LEU 154 Cb 0.51 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 41.16 3lor h LEU 154 CO 0.03 0.41 0.00 -1.54 0.09 0.00 0.00 178.44 177.42 3lor n SER 155 N -4.37 3.09 -4.74 -0.43 3.41 -1.15 -4.94 113.62 104.49 3lor n SER 155 Ca 0.01 -1.91 -0.41 0.00 -0.26 0.00 0.00 58.87 56.30 3lor n SER 155 Cb 0.17 -0.17 -0.02 0.00 -0.26 0.00 0.00 64.21 63.93 3lor n SER 155 CO 0.00 0.00 0.00 -1.61 -0.16 0.00 0.00 175.04 173.27 3lor s GLU 156 N -1.41 4.27 0.00 4.33 2.02 -1.14 -5.10 118.70 121.67 3lor s GLU 156 Ca 0.31 2.28 0.00 0.00 0.02 0.00 0.00 54.97 57.58 3lor s GLU 156 Cb 0.19 -3.12 0.00 0.00 0.10 0.00 0.00 34.13 31.30 3lor s GLU 156 CO 0.27 -0.42 0.00 0.25 0.02 0.00 0.00 175.26 175.38