#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2o95 s PRO 2 N 0.00 3.95 1.28 0.03 0.04 -1.26 -5.06 135.00 133.98 2o95 s PRO 2 Ca 0.00 1.28 -0.19 0.00 0.04 0.00 0.00 61.00 62.13 2o95 s PRO 2 Cb 0.00 -2.12 0.32 0.00 0.04 0.00 0.00 34.50 32.73 2o95 s PRO 2 CO 0.00 -0.29 1.00 -1.83 0.04 0.00 0.00 177.00 175.92 2o95 s GLU 3 N -3.22 -1.83 0.65 4.56 -1.05 -1.26 -4.96 118.70 111.59 2o95 s GLU 3 Ca 0.65 0.30 -0.18 0.00 -0.15 0.00 0.00 54.97 55.59 2o95 s GLU 3 Cb -0.14 -1.49 -0.01 0.00 -0.44 0.00 0.00 34.13 32.05 2o95 s GLU 3 CO 0.18 -4.19 1.30 -0.51 0.95 0.00 0.00 175.26 172.98 2o95 s LEU 4 N -7.40 3.57 0.20 1.83 1.43 -1.26 -4.91 118.68 112.14 2o95 s LEU 4 Ca 0.69 2.63 0.10 0.00 -1.03 0.00 0.00 54.13 56.52 2o95 s LEU 4 Cb -0.16 -4.62 0.04 0.00 0.03 0.00 0.00 46.19 41.48 2o95 s LEU 4 CO 0.59 -2.02 1.42 0.00 0.23 0.00 0.00 176.35 176.58 2o95 h ALA 5 N 0.54 0.60 -3.13 4.21 0.00 -1.95 -3.43 119.26 116.10 2o95 h ALA 5 Ca -0.51 -0.72 -0.67 0.00 0.00 0.00 0.00 54.91 53.01 2o95 h ALA 5 Cb 1.34 -0.13 -0.35 0.00 0.00 0.00 0.00 17.79 18.66 2o95 h ALA 5 CO 0.53 0.99 -0.86 0.08 0.00 0.00 0.00 179.25 179.99 2o95 s VAL 6 N -3.05 2.04 -0.52 0.00 1.01 -1.26 -4.30 120.40 114.33 2o95 s VAL 6 Ca 0.01 -0.95 0.10 0.00 0.00 0.00 0.00 61.98 61.14 2o95 s VAL 6 Cb 0.10 -1.83 -0.09 0.00 0.00 0.00 0.00 36.38 34.56 2o95 s VAL 6 CO 0.79 0.54 0.44 0.00 0.00 0.00 0.00 175.10 176.87 2o95 n GLN 7 N 4.38 3.56 -3.66 2.72 10.64 0.16 -4.96 117.38 130.22 2o95 n GLN 7 Ca -0.20 -0.07 -0.15 0.00 -1.83 0.00 0.00 57.00 54.74 2o95 n GLN 7 Cb 0.51 -0.98 -0.08 0.00 -0.86 0.00 0.00 30.24 28.83 2o95 n GLN 7 CO 0.00 0.00 0.00 0.21 -1.83 0.00 0.00 177.06 175.44 2o95 s LYS 8 N -1.86 0.76 -0.13 2.61 2.20 -0.86 -3.56 119.74 118.91 2o95 s LYS 8 Ca 0.04 0.49 0.02 0.00 -0.36 0.00 0.00 55.97 56.16 2o95 s LYS 8 Cb 0.07 0.36 0.01 0.00 -1.51 0.00 0.00 37.83 36.77 2o95 s LYS 8 CO 0.38 -0.16 -0.18 0.08 -0.36 0.00 0.00 175.35 175.12 2o95 s VAL 9 N -0.34 1.73 -0.29 4.02 1.01 0.15 0.02 120.40 126.70 2o95 s VAL 9 Ca -0.05 -0.78 -0.05 0.00 0.00 0.00 0.00 61.98 61.10 2o95 s VAL 9 Cb -0.03 -1.56 0.02 0.00 0.00 0.00 0.00 36.38 34.80 2o95 s VAL 9 CO 0.04 0.49 0.04 -0.69 0.00 0.00 0.00 175.10 174.97 2o95 s VAL 10 N 0.98 3.59 -0.24 2.92 1.01 0.13 -0.68 120.40 128.13 2o95 s VAL 10 Ca -0.05 -0.88 -0.10 0.00 0.00 0.00 0.00 61.98 60.95 2o95 s VAL 10 Cb -0.15 -2.88 -0.05 0.00 0.00 0.00 0.00 36.38 33.30 2o95 s VAL 10 CO -0.03 0.07 0.15 -0.69 0.00 0.00 0.00 175.10 174.60 2o95 s VAL 11 N 1.43 5.30 0.39 2.92 1.01 0.12 0.05 120.40 131.62 2o95 s VAL 11 Ca 0.01 0.16 -0.24 0.00 0.00 0.00 0.00 61.98 61.91 2o95 s VAL 11 Cb -0.17 -3.47 -0.09 0.00 0.00 0.00 0.00 36.38 32.64 2o95 s VAL 11 CO 0.00 0.35 1.02 -1.00 0.00 0.00 0.00 175.10 175.48 2o95 s HIS 12 N 1.04 3.34 0.30 5.22 3.76 -0.27 -1.25 115.29 127.43 2o95 s HIS 12 Ca 0.07 1.66 0.05 0.00 -0.15 0.00 0.00 55.06 56.70 2o95 s HIS 12 Cb -0.13 -3.07 0.77 0.00 1.11 0.00 0.00 32.58 31.26 2o95 s HIS 12 CO 0.04 -0.44 1.69 -1.35 -0.85 0.00 0.00 174.74 173.84 2o95 h PRO 13 N 2.57 0.39 -0.89 8.40 0.11 -1.91 -0.37 132.00 140.30 2o95 h PRO 13 Ca -0.48 -0.02 0.09 0.00 0.11 0.00 0.00 66.00 65.69 2o95 h PRO 13 Cb 1.21 -0.09 -0.07 0.00 0.11 0.00 0.00 31.00 32.16 2o95 h PRO 13 CO 0.63 0.26 0.54 1.25 -0.21 0.00 0.00 178.00 180.47 2o95 h LEU 14 N 0.41 0.82 -0.38 2.35 5.85 -1.92 -0.16 115.31 122.27 2o95 h LEU 14 Ca 0.58 0.03 -0.00 0.00 0.84 0.00 0.00 57.88 59.34 2o95 h LEU 14 Cb 1.13 -0.13 -0.02 0.00 0.37 0.00 0.00 40.66 42.01 2o95 h LEU 14 CO -0.53 0.48 0.24 0.58 -0.34 0.00 0.00 178.44 178.86 2o95 h VAL 15 N 0.93 1.12 -0.45 1.05 2.07 -1.32 0.48 116.25 120.14 2o95 h VAL 15 Ca 0.42 -0.27 -0.03 0.00 0.82 0.00 0.00 66.70 67.65 2o95 h VAL 15 Cb 0.31 0.60 -0.02 0.00 -1.52 0.00 0.00 31.29 30.67 2o95 h VAL 15 CO -0.22 0.12 0.18 0.25 0.02 0.00 0.00 177.57 177.92 2o95 h LEU 16 N 0.51 0.62 -0.20 2.57 5.85 -1.06 -1.22 115.31 122.37 2o95 h LEU 16 Ca 0.14 -0.17 -0.01 0.00 0.84 0.00 0.00 57.88 58.68 2o95 h LEU 16 Cb -0.01 -0.16 -0.01 0.00 0.37 0.00 0.00 40.66 40.85 2o95 h LEU 16 CO -0.03 0.62 0.09 0.25 -0.34 0.00 0.00 178.44 179.03 2o95 h LEU 17 N 0.58 0.27 -0.88 2.25 5.85 -0.90 0.11 115.31 122.59 2o95 h LEU 17 Ca 0.15 -0.13 -0.02 0.00 0.84 0.00 0.00 57.88 58.72 2o95 h LEU 17 Cb 0.19 -0.07 -0.04 0.00 0.37 0.00 0.00 40.66 41.11 2o95 h LEU 17 CO -0.01 0.32 0.46 0.28 -0.34 0.00 0.00 178.44 179.15 2o95 h SER 18 N 0.19 1.12 -0.09 1.25 0.02 -0.72 0.40 113.55 115.71 2o95 h SER 18 Ca 0.07 -0.11 -0.16 0.00 -0.84 0.00 0.00 61.79 60.75 2o95 h SER 18 Cb 0.13 -0.29 0.01 0.00 0.14 0.00 0.00 62.40 62.39 2o95 h SER 18 CO -0.01 0.91 -0.55 0.58 -1.14 0.00 0.00 176.83 176.63 2o95 h VAL 19 N 1.24 1.36 -0.27 2.27 2.07 -0.92 -1.28 116.25 120.72 2o95 h VAL 19 Ca 0.31 -1.88 -0.04 0.00 0.82 0.00 0.00 66.70 65.91 2o95 h VAL 19 Cb 0.06 2.22 -0.01 0.00 -1.52 0.00 0.00 31.29 32.05 2o95 h VAL 19 CO -0.05 0.56 -0.00 0.58 0.02 0.00 0.00 177.57 178.69 2o95 h VAL 20 N 0.14 1.26 -0.24 2.57 2.07 -0.57 -1.77 116.25 119.71 2o95 h VAL 20 Ca -0.04 -0.92 0.02 0.00 0.82 0.00 0.00 66.70 66.57 2o95 h VAL 20 Cb 1.20 1.32 -0.02 0.00 -1.52 0.00 0.00 31.29 32.27 2o95 h VAL 20 CO 0.11 0.29 0.11 -0.78 0.02 0.00 0.00 177.57 177.33 2o95 h ASP 21 N 0.27 0.17 -0.01 0.57 3.58 -0.25 -0.11 116.42 120.63 2o95 h ASP 21 Ca 0.08 0.01 0.00 0.00 0.42 0.00 0.00 57.03 57.54 2o95 h ASP 21 Cb 0.42 -0.02 -0.00 0.00 1.72 0.00 0.00 39.33 41.45 2o95 h ASP 21 CO 0.01 0.13 0.01 -0.74 -2.88 0.00 0.00 179.24 175.77 2o95 h HIS 22 N 0.25 0.02 -0.52 0.28 2.76 -1.19 -0.26 115.15 116.48 2o95 h HIS 22 Ca 0.10 0.00 0.08 0.00 -2.20 0.00 0.00 60.37 58.35 2o95 h HIS 22 Cb 0.03 -0.01 -0.06 0.00 1.55 0.00 0.00 27.41 28.92 2o95 h HIS 22 CO -0.10 0.02 0.16 0.35 -1.30 0.00 0.00 177.93 177.06 2o95 h PHE 23 N 0.01 0.27 -0.34 5.26 3.57 -1.11 0.45 116.94 125.05 2o95 h PHE 23 Ca 0.00 0.03 -0.10 0.00 3.53 0.00 0.00 57.97 61.44 2o95 h PHE 23 Cb 0.01 -0.04 -0.02 0.00 2.79 0.00 0.00 35.95 38.69 2o95 h PHE 23 CO -0.08 0.06 -0.19 -0.91 -2.23 0.00 0.00 178.31 174.96 2o95 h ASN 24 N 0.32 0.63 -0.32 0.41 2.35 -0.66 -0.40 115.58 117.91 2o95 h ASN 24 Ca 0.26 -0.20 -0.13 0.00 -0.55 0.00 0.00 56.30 55.68 2o95 h ASN 24 Cb 0.31 -0.17 -0.01 0.00 0.05 0.00 0.00 38.32 38.51 2o95 h ASN 24 CO -0.29 0.82 -0.30 0.03 -1.65 0.00 0.00 177.43 176.04 2o95 h ARG 25 N 0.56 0.77 -0.07 0.81 3.08 -0.44 -1.32 114.38 117.78 2o95 h ARG 25 Ca 0.09 -0.40 -0.13 0.00 0.07 0.00 0.00 59.98 59.61 2o95 h ARG 25 Cb 0.64 0.01 -0.01 0.00 0.08 0.00 0.00 29.97 30.69 2o95 h ARG 25 CO 0.05 1.02 -0.55 -0.84 -1.07 0.00 0.00 179.97 178.58 2o95 h ILE 26 N 0.53 1.37 -0.93 2.04 3.07 -0.88 -2.91 117.51 119.80 2o95 h ILE 26 Ca 0.05 -1.87 0.15 0.00 1.55 0.00 0.00 64.86 64.74 2o95 h ILE 26 Cb 0.88 1.94 -0.09 0.00 -0.27 0.00 0.00 36.82 39.27 2o95 h ILE 26 CO 0.08 0.55 0.54 1.23 -1.05 0.00 0.00 178.15 179.49 2o95 h GLY 27 N 1.46 1.55 2.00 0.16 0.00 -0.70 -0.21 103.07 107.33 2o95 h GLY 27 Ca -0.00 -0.33 -0.01 0.00 0.00 0.00 0.00 47.33 46.99 2o95 h GLY 27 CO 0.08 0.02 -0.06 0.50 0.00 0.00 0.00 176.54 177.08 2o95 h LYS 28 N 0.77 0.00 -0.48 4.80 1.57 -1.04 -2.09 116.57 120.10 2o95 h LYS 28 Ca 0.50 0.00 -0.14 0.00 -1.87 0.00 0.00 60.65 59.14 2o95 h LYS 28 Cb 0.66 0.00 -0.08 0.00 0.08 0.00 0.00 32.23 32.88 2o95 h LYS 28 CO -0.33 0.06 0.10 1.33 -0.57 0.00 0.00 179.45 180.04 2o95 n VAL 29 N -3.35 2.62 -0.63 0.50 0.24 -0.35 -4.94 118.33 112.42 2o95 n VAL 29 Ca -0.01 -2.02 0.00 0.00 -2.04 0.00 0.00 64.34 60.27 2o95 n VAL 29 Cb 0.23 -0.32 0.00 0.00 -1.47 0.00 0.00 33.84 32.28 2o95 n VAL 29 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2o95 n GLY 30 N -0.56 0.79 3.73 7.63 0.00 -0.78 -5.04 105.19 110.95 2o95 n GLY 30 Ca 0.33 -0.54 -0.42 0.00 0.00 0.00 0.00 46.02 45.38 2o95 n GLY 30 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 2o95 s ASN 31 N -2.52 6.37 0.00 1.61 3.84 -0.24 -4.88 114.94 119.13 2o95 s ASN 31 Ca 0.00 2.91 0.10 0.00 0.21 0.00 0.00 52.86 56.08 2o95 s ASN 31 Cb 0.00 -2.61 0.09 0.00 -0.55 0.00 0.00 41.25 38.17 2o95 s ASN 31 CO 0.00 -0.95 0.83 0.00 -2.79 0.00 0.00 177.10 174.19 2o95 n GLN 32 N 3.28 0.47 -4.05 0.43 1.13 -1.26 -4.64 117.38 112.74 2o95 n GLN 32 Ca 0.13 -1.13 -0.07 0.00 -1.94 0.00 0.00 57.00 53.98 2o95 n GLN 32 Cb 0.36 -1.20 -0.10 0.00 0.11 0.00 0.00 30.24 29.42 2o95 n GLN 32 CO 0.00 0.00 0.00 0.15 -1.44 0.00 0.00 177.06 175.77 2o95 s LYS 33 N -0.86 0.67 0.65 -1.09 1.02 -1.26 -5.14 119.74 113.73 2o95 s LYS 33 Ca 0.12 -1.19 -0.17 0.00 0.02 0.00 0.00 55.97 54.75 2o95 s LYS 33 Cb 0.09 0.23 -0.04 0.00 -0.52 0.00 0.00 37.83 37.59 2o95 s LYS 33 CO 0.13 -0.15 0.84 2.89 -0.92 0.00 0.00 175.35 178.15 2o95 n ARG 34 N 0.07 0.65 -3.81 1.68 1.85 -1.26 -5.02 116.66 110.82 2o95 n ARG 34 Ca -0.14 0.27 -0.37 0.00 -1.00 0.00 0.00 57.85 56.61 2o95 n ARG 34 Cb 0.61 -2.07 -0.06 0.00 -1.05 0.00 0.00 32.46 29.89 2o95 n ARG 34 CO 0.00 0.00 0.00 0.08 -0.01 0.00 0.00 177.63 177.70 2o95 s VAL 35 N -1.67 5.42 -0.01 8.89 1.01 -1.26 -4.93 120.40 127.85 2o95 s VAL 35 Ca 0.73 0.31 0.08 0.00 0.00 0.00 0.00 61.98 63.11 2o95 s VAL 35 Cb -0.39 -3.46 -0.02 0.00 0.00 0.00 0.00 36.38 32.51 2o95 s VAL 35 CO 0.50 0.60 -0.26 -0.69 0.00 0.00 0.00 175.10 175.25 2o95 s VAL 36 N -1.05 2.06 0.17 2.92 1.01 -1.26 -1.63 120.40 122.62 2o95 s VAL 36 Ca 0.17 -1.14 -0.04 0.00 0.00 0.00 0.00 61.98 60.97 2o95 s VAL 36 Cb -0.13 -1.71 0.02 0.00 0.00 0.00 0.00 36.38 34.55 2o95 s VAL 36 CO 0.06 0.56 0.29 0.61 0.00 0.00 0.00 175.10 176.62 2o95 n GLY 37 N 2.37 2.11 3.54 4.51 0.00 -0.19 -1.45 105.19 116.08 2o95 n GLY 37 Ca -0.16 -1.31 -0.31 0.00 0.00 0.00 0.00 46.02 44.23 2o95 n GLY 37 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2o95 s VAL 38 N -2.60 3.26 -0.02 1.61 1.01 0.62 -0.38 120.40 123.90 2o95 s VAL 38 Ca 0.11 -1.03 0.01 0.00 0.00 0.00 0.00 61.98 61.07 2o95 s VAL 38 Cb -0.01 -2.42 -0.03 0.00 0.00 0.00 0.00 36.38 33.91 2o95 s VAL 38 CO 0.08 0.32 -0.02 -0.76 0.00 0.00 0.00 175.10 174.71 2o95 s LEU 39 N -1.57 3.40 0.06 3.92 1.43 0.35 -1.35 118.68 124.91 2o95 s LEU 39 Ca 0.17 -0.02 0.07 0.00 -1.03 0.00 0.00 54.13 53.31 2o95 s LEU 39 Cb -0.11 -1.91 -0.03 0.00 0.03 0.00 0.00 46.19 44.18 2o95 s LEU 39 CO 0.08 0.30 -0.18 -0.76 0.23 0.00 0.00 176.35 176.02 2o95 s LEU 40 N -1.36 2.21 0.00 1.79 1.43 0.30 -1.07 118.68 121.98 2o95 s LEU 40 Ca 0.17 -0.55 0.00 0.00 -1.03 0.00 0.00 54.13 52.72 2o95 s LEU 40 Cb -0.11 -0.80 0.00 0.00 0.03 0.00 0.00 46.19 45.31 2o95 s LEU 40 CO 0.08 0.07 0.00 0.61 0.23 0.00 0.00 176.35 177.34 2o95 n GLY 41 N 1.61 -0.72 3.36 -3.19 0.00 0.87 -1.11 105.19 106.01 2o95 n GLY 41 Ca -0.18 -0.40 -0.09 0.00 0.00 0.00 0.00 46.02 45.34 2o95 n GLY 41 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2o95 s SER 42 N -4.00 -0.01 -0.02 1.61 1.04 -0.41 -0.58 113.70 111.33 2o95 s SER 42 Ca 0.00 -0.79 0.07 0.00 0.48 0.00 0.00 55.95 55.72 2o95 s SER 42 Cb 0.00 0.46 -0.02 0.00 0.10 0.00 0.00 66.02 66.56 2o95 s SER 42 CO 0.00 -0.91 -0.24 0.26 0.98 0.00 0.00 173.24 173.32 2o95 s TRP 43 N -3.94 2.21 0.01 5.02 0.51 -1.26 0.04 118.94 121.51 2o95 s TRP 43 Ca 0.15 -0.44 -0.00 0.00 -2.12 0.00 0.00 56.10 53.69 2o95 s TRP 43 Cb 0.03 -1.42 -0.00 0.00 -0.81 0.00 0.00 33.47 31.26 2o95 s TRP 43 CO -0.01 -0.05 -0.01 1.04 -0.51 0.00 0.00 176.95 177.41 2o95 n GLN 44 N 2.52 0.01 -3.21 4.98 3.00 -0.20 -4.98 117.38 119.50 2o95 n GLN 44 Ca -0.16 0.00 -0.24 0.00 -0.01 0.00 0.00 57.00 56.59 2o95 n GLN 44 Cb 0.52 -0.13 -0.06 0.00 0.00 0.00 0.00 30.24 30.56 2o95 n GLN 44 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.06 178.69 2o95 n LYS 45 N -2.66 1.73 -0.91 -1.09 5.02 -1.26 -4.67 118.16 114.32 2o95 n LYS 45 Ca -0.00 -3.95 -0.02 0.00 -2.02 0.00 0.00 58.31 52.32 2o95 n LYS 45 Cb 0.01 -1.79 -0.01 0.00 -0.02 0.00 0.00 35.03 33.22 2o95 n LYS 45 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 2o95 n LYS 46 N 0.72 -1.94 -3.69 1.97 5.02 -1.26 -4.89 118.16 114.08 2o95 n LYS 46 Ca 0.26 0.48 -0.37 0.00 -2.02 0.00 0.00 58.31 56.66 2o95 n LYS 46 Cb 0.50 -4.68 -0.12 0.00 -0.02 0.00 0.00 35.03 30.71 2o95 n LYS 46 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 2o95 s VAL 47 N -1.00 4.59 -0.17 -0.18 1.01 -1.26 0.35 120.40 123.75 2o95 s VAL 47 Ca 0.00 -0.16 -0.20 0.00 0.00 0.00 0.00 61.98 61.61 2o95 s VAL 47 Cb 0.00 -3.21 -0.03 0.00 0.00 0.00 0.00 36.38 33.14 2o95 s VAL 47 CO 0.00 0.25 0.59 -0.22 0.00 0.00 0.00 175.10 175.72 2o95 s LEU 48 N 1.64 4.19 -0.34 3.92 2.96 0.10 -1.03 118.68 130.13 2o95 s LEU 48 Ca 0.06 0.84 -0.10 0.00 -0.22 0.00 0.00 54.13 54.71 2o95 s LEU 48 Cb -0.16 -2.84 0.01 0.00 0.50 0.00 0.00 46.19 43.71 2o95 s LEU 48 CO 0.06 -0.18 0.17 -0.62 -1.32 0.00 0.00 176.35 174.46 2o95 s ASP 49 N 1.03 5.60 -0.46 3.68 -1.08 0.11 0.22 116.67 125.77 2o95 s ASP 49 Ca 0.28 -0.79 -0.16 0.00 -0.52 0.00 0.00 52.55 51.36 2o95 s ASP 49 Cb -0.16 -2.00 0.06 0.00 -1.46 0.00 0.00 42.92 39.36 2o95 s ASP 49 CO 0.11 -0.29 0.39 -0.69 0.52 0.00 0.00 175.17 175.20 2o95 s VAL 50 N 1.57 5.21 -0.50 1.11 1.01 0.11 -1.29 120.40 127.62 2o95 s VAL 50 Ca 0.03 -0.89 0.14 0.00 0.00 0.00 0.00 61.98 61.26 2o95 s VAL 50 Cb -0.18 -4.08 -0.16 0.00 0.00 0.00 0.00 36.38 31.95 2o95 s VAL 50 CO 0.06 -0.52 0.52 -1.54 0.00 0.00 0.00 175.10 173.62 2o95 n SER 51 N 5.27 0.90 -3.86 3.32 3.41 -0.27 -1.12 113.62 121.28 2o95 n SER 51 Ca -0.11 -0.64 -0.08 0.00 -0.26 0.00 0.00 58.87 57.78 2o95 n SER 51 Cb 0.45 1.14 -0.03 0.00 -0.26 0.00 0.00 64.21 65.51 2o95 n SER 51 CO 0.00 0.00 0.00 0.21 -0.16 0.00 0.00 175.04 175.09 2o95 s ASN 52 N -2.58 -0.14 0.01 4.04 2.47 -0.97 -4.61 114.94 113.17 2o95 s ASN 52 Ca 0.03 -0.80 -0.29 0.00 0.42 0.00 0.00 52.86 52.22 2o95 s ASN 52 Cb 0.10 0.67 0.10 0.00 -1.45 0.00 0.00 41.25 40.67 2o95 s ASN 52 CO 0.56 -1.27 0.94 -0.94 -3.72 0.00 0.00 177.10 172.67 2o95 s SER 53 N -2.98 -0.30 -0.12 -4.21 1.04 -1.26 -0.54 113.70 105.33 2o95 s SER 53 Ca 0.17 -0.09 -0.25 0.00 0.48 0.00 0.00 55.95 56.27 2o95 s SER 53 Cb -0.03 0.38 0.06 0.00 0.10 0.00 0.00 66.02 66.52 2o95 s SER 53 CO 0.08 -0.63 0.60 0.72 0.98 0.00 0.00 173.24 174.99 2o95 s PHE 54 N -3.07 -0.59 0.51 5.02 -0.71 -0.46 -4.96 117.98 113.71 2o95 s PHE 54 Ca 0.07 1.21 -0.17 0.00 -1.04 0.00 0.00 56.93 57.00 2o95 s PHE 54 Cb -0.01 0.29 -0.08 0.00 -1.21 0.00 0.00 43.02 42.01 2o95 s PHE 54 CO -0.06 -0.46 0.99 0.00 -1.34 0.00 0.00 175.22 174.35 2o95 s ALA 55 N -0.60 3.03 0.05 1.99 0.00 -1.26 -0.28 121.76 124.70 2o95 s ALA 55 Ca -0.07 0.23 0.06 0.00 0.00 0.00 0.00 51.96 52.18 2o95 s ALA 55 Cb -0.03 -3.13 -0.02 0.00 0.00 0.00 0.00 23.12 19.94 2o95 s ALA 55 CO 0.05 -0.24 -0.16 0.14 0.00 0.00 0.00 175.76 175.55 2o95 s VAL 56 N -2.55 1.29 0.13 0.00 -7.23 -0.53 -4.84 120.40 106.67 2o95 s VAL 56 Ca 0.60 -1.14 -0.34 0.00 -1.81 0.00 0.00 61.98 59.29 2o95 s VAL 56 Cb -0.10 -1.16 -0.13 0.00 0.56 0.00 0.00 36.38 35.54 2o95 s VAL 56 CO 0.29 0.01 1.63 -2.65 -0.31 0.00 0.00 175.10 174.08 2o95 n PRO 57 N 1.72 2.21 -3.74 4.82 -0.02 -1.26 -4.55 135.00 134.18 2o95 n PRO 57 Ca -0.18 0.80 -0.12 0.00 -2.02 0.00 0.00 63.50 61.97 2o95 n PRO 57 Cb 0.54 -2.58 -0.12 0.00 -0.02 0.00 0.00 33.50 31.32 2o95 n PRO 57 CO 0.00 0.00 0.00 0.12 1.98 0.00 0.00 175.50 177.60 2o95 s PHE 58 N 1.42 -0.38 0.03 6.00 5.36 -1.26 -3.66 117.98 125.49 2o95 s PHE 58 Ca 0.81 0.89 0.04 0.00 -0.96 0.00 0.00 56.93 57.70 2o95 s PHE 58 Cb -0.67 0.12 -0.02 0.00 -0.34 0.00 0.00 43.02 42.11 2o95 s PHE 58 CO 0.39 -0.23 -0.12 -0.51 -1.46 0.00 0.00 175.22 173.30 2o95 s ASP 59 N 0.86 1.44 -0.05 6.13 1.01 0.11 -4.99 116.67 121.18 2o95 s ASP 59 Ca -0.06 -0.40 -0.07 0.00 0.71 0.00 0.00 52.55 52.73 2o95 s ASP 59 Cb -0.07 -0.09 0.01 0.00 1.01 0.00 0.00 42.92 43.78 2o95 s ASP 59 CO -0.06 0.02 0.18 -1.83 0.21 0.00 0.00 175.17 173.70 2o95 s GLU 60 N -0.98 0.31 0.12 8.23 -1.05 -1.26 -0.40 118.70 123.67 2o95 s GLU 60 Ca 0.01 0.07 -0.30 0.00 -0.15 0.00 0.00 54.97 54.60 2o95 s GLU 60 Cb -0.07 0.14 -0.06 0.00 -0.44 0.00 0.00 34.13 33.70 2o95 s GLU 60 CO 0.01 -0.06 1.06 0.34 0.95 0.00 0.00 175.26 177.56 2o95 s ASP 61 N -0.35 7.31 0.00 0.83 -1.08 0.97 -4.91 116.67 119.44 2o95 s ASP 61 Ca -0.04 1.94 0.29 0.00 -0.52 0.00 0.00 52.55 54.21 2o95 s ASP 61 Cb -0.03 -2.59 1.27 0.00 -1.46 0.00 0.00 42.92 40.11 2o95 s ASP 61 CO 0.01 -0.23 1.89 -0.90 0.52 0.00 0.00 175.17 176.46 2o95 n ASP 62 N 2.95 0.38 -0.10 -0.34 3.85 -1.26 -2.76 116.55 119.28 2o95 n ASP 62 Ca 0.04 -0.49 -0.12 0.00 -0.71 0.00 0.00 54.79 53.51 2o95 n ASP 62 Cb 0.48 -0.11 -0.12 0.00 -1.35 0.00 0.00 41.12 40.02 2o95 n ASP 62 CO 0.00 0.00 0.00 0.29 -1.01 0.00 0.00 177.20 176.48 2o95 n LYS 63 N -1.02 0.89 -3.36 0.11 4.76 -1.26 -4.86 118.16 113.41 2o95 n LYS 63 Ca 0.14 0.05 -0.15 0.00 -2.87 0.00 0.00 58.31 55.48 2o95 n LYS 63 Cb 0.27 -1.45 -0.08 0.00 -1.84 0.00 0.00 35.03 31.93 2o95 n LYS 63 CO 0.00 0.00 0.00 0.34 -1.37 0.00 0.00 177.40 176.37 2o95 s ASP 64 N -5.59 1.15 0.00 4.39 -1.08 -1.19 -5.02 116.67 109.34 2o95 s ASP 64 Ca -0.18 -0.98 0.10 0.00 -0.52 0.00 0.00 52.55 50.97 2o95 s ASP 64 Cb 0.06 0.68 0.57 0.00 -1.46 0.00 0.00 42.92 42.78 2o95 s ASP 64 CO 0.64 -0.33 1.25 -0.90 0.52 0.00 0.00 175.17 176.35 2o95 n ASP 65 N 4.92 0.00 0.19 -0.34 3.85 -1.11 -1.51 116.55 122.55 2o95 n ASP 65 Ca 0.04 -1.42 0.14 0.00 -0.71 0.00 0.00 54.79 52.83 2o95 n ASP 65 Cb 0.47 0.00 0.65 0.00 -1.35 0.00 0.00 41.12 40.89 2o95 n ASP 65 CO 0.00 0.00 0.00 0.77 -1.01 0.00 0.00 177.20 176.96 2o95 h SER 66 N 0.00 0.00 -3.45 -1.12 4.64 -1.95 -3.38 113.55 108.29 2o95 h SER 66 Ca 0.00 0.00 -0.69 0.00 -0.47 0.00 0.00 61.79 60.63 2o95 h SER 66 Cb 0.00 0.00 -0.19 0.00 -0.31 0.00 0.00 62.40 61.90 2o95 h SER 66 CO 0.00 0.00 -0.13 -0.69 -0.87 0.00 0.00 176.83 175.14 2o95 s VAL 67 N -3.56 5.03 -0.03 0.95 1.01 -0.57 -5.00 120.40 118.24 2o95 s VAL 67 Ca 0.00 -0.42 -0.27 0.00 0.00 0.00 0.00 61.98 61.29 2o95 s VAL 67 Cb 0.09 -4.12 0.06 0.00 0.00 0.00 0.00 36.38 32.40 2o95 s VAL 67 CO 0.36 -0.54 0.60 -1.66 0.00 0.00 0.00 175.10 173.86 2o95 s TRP 68 N 2.25 -0.55 -0.07 5.22 1.48 -1.26 -0.02 118.94 125.99 2o95 s TRP 68 Ca 0.13 0.89 -0.06 0.00 -1.06 0.00 0.00 56.10 56.00 2o95 s TRP 68 Cb -0.18 0.36 0.02 0.00 -1.16 0.00 0.00 33.47 32.51 2o95 s TRP 68 CO 0.13 -0.59 0.18 0.12 -4.06 0.00 0.00 176.95 172.74 2o95 s PHE 69 N -1.44 -0.21 0.05 1.66 5.36 0.46 -4.98 117.98 118.87 2o95 s PHE 69 Ca -0.10 0.51 0.03 0.00 -0.96 0.00 0.00 56.93 56.40 2o95 s PHE 69 Cb -0.01 0.06 -0.02 0.00 -0.34 0.00 0.00 43.02 42.71 2o95 s PHE 69 CO 0.07 -0.11 -0.09 -0.48 -1.46 0.00 0.00 175.22 173.15 2o95 s LEU 70 N 0.20 2.25 -0.59 6.12 2.34 -1.26 -0.71 118.68 127.02 2o95 s LEU 70 Ca -0.01 -0.54 -0.23 0.00 0.06 0.00 0.00 54.13 53.40 2o95 s LEU 70 Cb -0.02 -0.24 0.05 0.00 -0.56 0.00 0.00 46.19 45.42 2o95 s LEU 70 CO -0.00 -0.17 0.94 1.51 -1.06 0.00 0.00 176.35 177.57 2o95 s ASP 71 N -1.55 6.26 0.54 1.48 -4.77 -1.24 -4.87 116.67 112.52 2o95 s ASP 71 Ca -0.08 -0.64 0.26 0.00 -3.30 0.00 0.00 52.55 48.79 2o95 s ASP 71 Cb -0.10 -2.42 1.52 0.00 -1.09 0.00 0.00 42.92 40.83 2o95 s ASP 71 CO 0.01 -1.30 2.14 1.12 0.70 0.00 0.00 175.17 177.83 2o95 h HIS 72 N 9.41 0.00 -0.80 2.11 2.07 -1.99 0.11 115.15 126.06 2o95 h HIS 72 Ca -0.27 0.00 -0.04 0.00 -2.85 0.00 0.00 60.37 57.21 2o95 h HIS 72 Cb 1.07 0.00 -0.04 0.00 2.57 0.00 0.00 27.41 31.02 2o95 h HIS 72 CO 0.93 0.07 0.34 -0.44 -3.07 0.00 0.00 177.93 175.76 2o95 h ASP 73 N 0.00 1.09 -0.14 3.10 3.32 -1.98 -0.09 116.42 121.72 2o95 h ASP 73 Ca -0.00 -0.16 -0.02 0.00 0.02 0.00 0.00 57.03 56.87 2o95 h ASP 73 Cb 0.18 -0.28 -0.01 0.00 0.22 0.00 0.00 39.33 39.44 2o95 h ASP 73 CO 0.01 0.95 0.01 0.22 -1.72 0.00 0.00 179.24 178.71 2o95 h TYR 74 N 1.16 0.26 -0.75 4.55 3.20 -1.23 0.26 116.97 124.42 2o95 h TYR 74 Ca 0.27 -0.04 -0.05 0.00 3.14 0.00 0.00 58.73 62.05 2o95 h TYR 74 Cb 0.19 -0.07 -0.03 0.00 1.54 0.00 0.00 36.73 38.36 2o95 h TYR 74 CO 0.02 0.46 0.29 1.37 -1.64 0.00 0.00 178.16 178.65 2o95 h LEU 75 N -0.01 1.04 -0.38 2.82 8.10 -0.97 0.29 115.31 126.19 2o95 h LEU 75 Ca 0.04 -0.18 -0.11 0.00 0.11 0.00 0.00 57.88 57.74 2o95 h LEU 75 Cb 0.35 -0.27 -0.01 0.00 -0.44 0.00 0.00 40.66 40.29 2o95 h LEU 75 CO 0.01 0.94 -0.19 -0.33 -4.11 0.00 0.00 178.44 174.76 2o95 h GLU 76 N 1.08 0.80 -0.46 0.17 5.08 -0.86 0.11 114.58 120.51 2o95 h GLU 76 Ca 0.25 -0.35 -0.01 0.00 -1.00 0.00 0.00 59.36 58.25 2o95 h GLU 76 Cb 0.23 -0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.44 2o95 h GLU 76 CO -0.02 0.98 0.26 -0.91 -1.00 0.00 0.00 179.01 178.32 2o95 h ASN 77 N 0.60 0.57 -0.32 1.42 2.35 -0.04 -0.00 115.58 120.16 2o95 h ASN 77 Ca 0.08 -0.08 -0.05 0.00 -0.55 0.00 0.00 56.30 55.71 2o95 h ASN 77 Cb 0.74 -0.14 -0.01 0.00 0.05 0.00 0.00 38.32 38.95 2o95 h ASN 77 CO 0.06 0.48 0.01 -0.03 -1.65 0.00 0.00 177.43 176.29 2o95 h MET 78 N 0.61 0.57 -0.09 0.81 4.05 -0.33 -1.00 114.93 119.54 2o95 h MET 78 Ca 0.16 -0.18 0.02 0.00 -0.28 0.00 0.00 59.70 59.42 2o95 h MET 78 Cb 0.03 -0.05 -0.02 0.00 -0.80 0.00 0.00 31.60 30.76 2o95 h MET 78 CO -0.03 0.69 -0.02 -0.92 0.23 0.00 0.00 176.91 176.86 2o95 h TYR 79 N 0.37 -0.05 -0.96 1.39 3.20 -0.85 0.15 116.97 120.22 2o95 h TYR 79 Ca 0.09 0.01 0.10 0.00 3.14 0.00 0.00 58.73 62.07 2o95 h TYR 79 Cb 0.43 0.04 -0.07 0.00 1.54 0.00 0.00 36.73 38.67 2o95 h TYR 79 CO 0.03 -0.04 0.62 0.78 -1.64 0.00 0.00 178.16 177.91 2o95 h GLY 80 N 0.00 1.48 1.40 1.82 0.00 -0.78 0.23 103.07 107.22 2o95 h GLY 80 Ca 0.04 -0.42 -0.19 0.00 0.00 0.00 0.00 47.33 46.76 2o95 h GLY 80 CO -0.09 0.23 -0.71 -0.33 0.00 0.00 0.00 176.54 175.64 2o95 h MET 81 N 1.01 0.60 -0.72 4.80 2.86 -0.65 -2.77 114.93 120.05 2o95 h MET 81 Ca 0.45 -0.46 0.03 0.00 -2.06 0.00 0.00 59.70 57.66 2o95 h MET 81 Cb 0.36 0.09 -0.05 0.00 0.06 0.00 0.00 31.60 32.07 2o95 h MET 81 CO -0.20 1.08 0.45 0.74 1.06 0.00 0.00 176.91 180.04 2o95 h PHE 82 N 0.42 0.85 -0.13 -0.22 0.05 -0.11 -2.92 116.94 114.89 2o95 h PHE 82 Ca -0.03 0.02 0.04 0.00 3.82 0.00 0.00 57.97 61.82 2o95 h PHE 82 Cb 1.30 -0.28 -0.01 0.00 2.00 0.00 0.00 35.95 38.97 2o95 h PHE 82 CO 0.06 0.48 0.09 -0.22 -0.18 0.00 0.00 178.31 178.55 2o95 h LYS 83 N 0.88 0.00 0.00 1.51 3.64 -0.72 0.27 116.57 122.15 2o95 h LYS 83 Ca 0.29 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.67 2o95 h LYS 83 Cb 0.02 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.84 2o95 h LYS 83 CO -0.11 0.00 0.00 1.63 -2.27 0.00 0.00 179.45 178.70 2o95 n LYS 84 N -4.41 0.13 0.00 1.90 5.02 -1.07 -3.94 118.16 115.79 2o95 n LYS 84 Ca 0.00 0.36 0.00 0.00 -2.02 0.00 0.00 58.31 56.65 2o95 n LYS 84 Cb 0.22 -1.75 0.00 0.00 -0.02 0.00 0.00 35.03 33.48 2o95 n LYS 84 CO 0.00 0.00 0.00 1.55 -0.52 0.00 0.00 177.40 178.43 2o95 n VAL 85 N -2.00 0.00 -3.90 -0.18 3.14 -0.21 -5.08 118.33 110.10 2o95 n VAL 85 Ca 0.03 0.00 -0.25 0.00 -2.96 0.00 0.00 64.34 61.16 2o95 n VAL 85 Cb 0.21 -0.44 -0.03 0.00 -1.06 0.00 0.00 33.84 32.52 2o95 n VAL 85 CO 0.00 0.00 0.00 0.20 -6.46 0.00 0.00 176.83 170.57 2o95 s ASN 86 N -1.99 6.34 0.50 6.55 0.01 0.77 -5.05 114.94 122.07 2o95 s ASN 86 Ca 0.00 0.18 -0.23 0.00 -0.71 0.00 0.00 52.86 52.11 2o95 s ASN 86 Cb 0.00 -1.91 -0.07 0.00 0.41 0.00 0.00 41.25 39.68 2o95 s ASN 86 CO 0.00 -0.01 1.26 0.00 -1.51 0.00 0.00 177.10 176.85 2o95 n ALA 87 N -0.84 1.25 -1.67 0.60 0.00 -1.26 -4.81 120.51 113.78 2o95 n ALA 87 Ca -0.07 0.17 -0.62 0.00 0.00 0.00 0.00 53.44 52.91 2o95 n ALA 87 Cb 0.55 -2.28 -0.09 0.00 0.00 0.00 0.00 19.45 17.63 2o95 n ALA 87 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 2o95 n ARG 88 N -0.55 0.36 -3.90 0.00 0.63 -1.26 -4.95 116.66 106.99 2o95 n ARG 88 Ca 0.09 0.13 -0.10 0.00 -0.92 0.00 0.00 57.85 57.06 2o95 n ARG 88 Cb 0.43 -1.69 -0.09 0.00 0.45 0.00 0.00 32.46 31.57 2o95 n ARG 88 CO 0.00 0.00 0.00 -1.83 -2.51 0.00 0.00 177.63 173.29 2o95 s GLU 89 N 2.20 0.66 0.17 -0.14 -1.05 -1.26 -4.94 118.70 114.34 2o95 s GLU 89 Ca 0.98 -0.76 0.09 0.00 -0.15 0.00 0.00 54.97 55.14 2o95 s GLU 89 Cb -1.30 0.26 -0.04 0.00 -0.44 0.00 0.00 34.13 32.61 2o95 s GLU 89 CO 0.69 -0.18 -0.19 1.03 0.95 0.00 0.00 175.26 177.57 2o95 s ARG 90 N -2.80 1.30 -0.00 -4.83 1.81 0.26 -4.83 118.95 109.85 2o95 s ARG 90 Ca -0.03 -1.42 -0.32 0.00 -1.72 0.00 0.00 55.73 52.24 2o95 s ARG 90 Cb 0.00 -1.37 -0.10 0.00 -0.45 0.00 0.00 34.95 33.03 2o95 s ARG 90 CO -0.05 0.28 1.92 -0.89 -0.68 0.00 0.00 175.30 175.88 2o95 n ILE 91 N 0.27 0.66 -0.02 1.52 5.41 -1.26 -0.09 119.36 125.84 2o95 n ILE 91 Ca -0.13 -0.12 0.00 0.00 1.00 0.00 0.00 62.75 63.50 2o95 n ILE 91 Cb 0.57 -2.13 0.00 0.00 -0.71 0.00 0.00 39.64 37.37 2o95 n ILE 91 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 176.55 177.88 2o95 n VAL 92 N 5.30 0.00 0.00 1.39 0.24 -0.23 -4.62 118.33 120.41 2o95 n VAL 92 Ca 0.21 -0.48 0.00 0.00 -2.04 0.00 0.00 64.34 62.03 2o95 n VAL 92 Cb 0.36 1.02 0.00 0.00 -1.47 0.00 0.00 33.84 33.75 2o95 n VAL 92 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2o95 n GLY 93 N 0.52 -0.48 3.65 7.63 0.00 -1.15 -2.10 105.19 113.27 2o95 n GLY 93 Ca 0.00 -0.77 -0.09 0.00 0.00 0.00 0.00 46.02 45.16 2o95 n GLY 93 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 173.32 173.98 2o95 s TRP 94 N -4.00 -0.05 0.13 1.61 1.48 -0.30 -0.50 118.94 117.31 2o95 s TRP 94 Ca 0.00 -0.33 0.00 0.00 -1.06 0.00 0.00 56.10 54.71 2o95 s TRP 94 Cb 0.00 0.47 -0.04 0.00 -1.16 0.00 0.00 33.47 32.73 2o95 s TRP 94 CO 0.00 -1.05 0.01 1.52 -4.06 0.00 0.00 176.95 173.38 2o95 s TYR 95 N -3.92 0.92 0.15 1.66 -0.85 0.49 -0.72 117.35 115.07 2o95 s TYR 95 Ca 0.13 -1.11 -0.15 0.00 -0.52 0.00 0.00 57.07 55.41 2o95 s TYR 95 Cb -0.03 -0.53 0.02 0.00 0.38 0.00 0.00 41.96 41.80 2o95 s TYR 95 CO 0.03 -0.37 0.41 -3.38 -1.52 0.00 0.00 175.55 170.72 2o95 s HIS 96 N -3.87 -0.05 -2.07 -3.49 -3.43 -0.88 -1.02 115.29 100.47 2o95 s HIS 96 Ca 0.20 -0.29 0.27 0.00 -0.80 0.00 0.00 55.06 54.44 2o95 s HIS 96 Cb 0.07 0.23 0.86 0.00 -1.43 0.00 0.00 32.58 32.31 2o95 s HIS 96 CO -0.00 -0.76 1.63 0.25 -2.00 0.00 0.00 174.74 173.85 2o95 n THR 97 N -0.25 0.00 -0.17 -5.38 -2.24 -0.65 -0.74 114.28 104.86 2o95 n THR 97 Ca -0.13 -0.18 0.00 0.00 -2.27 0.00 0.00 64.05 61.47 2o95 n THR 97 Cb 0.63 0.46 0.00 0.00 -2.10 0.00 0.00 70.33 69.32 2o95 n THR 97 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2o95 n GLY 98 N 1.28 1.57 0.29 3.38 0.00 -1.26 -4.51 105.19 105.94 2o95 n GLY 98 Ca 0.15 -0.48 0.19 0.00 0.00 0.00 0.00 46.02 45.89 2o95 n GLY 98 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2o95 h PRO 99 N 0.00 0.00 -5.13 1.61 0.13 -1.94 -3.43 132.00 123.24 2o95 h PRO 99 Ca 0.00 0.00 -0.44 0.00 -0.87 0.00 0.00 66.00 64.69 2o95 h PRO 99 Cb 0.00 0.00 -0.14 0.00 0.13 0.00 0.00 31.00 30.99 2o95 h PRO 99 CO 0.00 0.00 -0.61 0.15 -0.23 0.00 0.00 178.00 177.31 2o95 s LYS 100 N -3.92 1.58 0.30 0.86 1.02 -1.26 -4.98 119.74 113.34 2o95 s LYS 100 Ca -0.03 -1.87 -0.29 0.00 0.02 0.00 0.00 55.97 53.80 2o95 s LYS 100 Cb 0.11 -0.69 -0.13 0.00 -0.52 0.00 0.00 37.83 36.60 2o95 s LYS 100 CO 0.40 -0.22 1.33 1.28 -0.92 0.00 0.00 175.35 177.23 2o95 n LEU 101 N -0.62 3.33 -4.78 3.17 4.77 -1.26 -5.01 117.00 116.60 2o95 n LEU 101 Ca -0.02 1.18 -0.27 0.00 -0.03 0.00 0.00 56.01 56.87 2o95 n LEU 101 Cb 0.66 -1.46 -0.06 0.00 -2.33 0.00 0.00 43.42 40.24 2o95 n LEU 101 CO 0.41 -0.50 -0.24 -1.00 -1.33 0.00 0.00 177.39 174.72 2o95 s HIS 102 N -0.65 3.11 0.40 -1.77 3.76 -1.26 -5.03 115.29 113.85 2o95 s HIS 102 Ca 0.61 -0.02 0.10 0.00 -0.15 0.00 0.00 55.06 55.60 2o95 s HIS 102 Cb -0.60 -1.51 0.90 0.00 1.11 0.00 0.00 32.58 32.47 2o95 s HIS 102 CO 0.57 0.52 1.95 0.87 -0.85 0.00 0.00 174.74 177.80 2o95 h LYS 103 N 2.59 0.56 -0.09 1.40 1.57 -1.95 -0.96 116.57 119.68 2o95 h LYS 103 Ca -0.47 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.27 2o95 h LYS 103 Cb 1.19 -0.13 0.00 0.00 0.08 0.00 0.00 32.23 33.38 2o95 h LYS 103 CO 0.63 0.37 0.00 0.27 -0.57 0.00 0.00 179.45 180.15 2o95 n ASN 104 N -4.49 0.98 -0.04 0.86 0.23 -1.26 -4.28 115.26 107.26 2o95 n ASN 104 Ca 0.11 -1.58 -0.03 0.00 -0.53 0.00 0.00 54.58 52.55 2o95 n ASN 104 Cb 0.34 -0.06 0.20 0.00 -2.08 0.00 0.00 39.78 38.18 2o95 n ASN 104 CO 0.00 0.00 0.00 0.44 -0.93 0.00 0.00 177.26 176.77 2o95 h ASP 105 N 1.32 0.61 -0.66 0.53 3.32 -1.55 -0.05 116.42 119.94 2o95 h ASP 105 Ca 0.00 -0.17 0.02 0.00 0.02 0.00 0.00 57.03 56.91 2o95 h ASP 105 Cb 0.29 -0.16 -0.04 0.00 0.22 0.00 0.00 39.33 39.64 2o95 h ASP 105 CO 0.00 0.75 0.42 0.40 -1.72 0.00 0.00 179.24 179.09 2o95 h ILE 106 N 0.57 1.11 -0.24 0.35 1.08 -1.79 0.98 117.51 119.58 2o95 h ILE 106 Ca 0.10 -0.28 -0.05 0.00 -0.39 0.00 0.00 64.86 64.23 2o95 h ILE 106 Cb 0.53 0.21 -0.01 0.00 -3.07 0.00 0.00 36.82 34.48 2o95 h ILE 106 CO 0.03 0.15 -0.06 0.00 -0.69 0.00 0.00 178.15 177.58 2o95 h ALA 107 N 1.27 0.33 -0.63 1.87 0.00 -1.68 -0.42 119.26 119.99 2o95 h ALA 107 Ca 0.26 -0.27 0.07 0.00 0.00 0.00 0.00 54.91 54.97 2o95 h ALA 107 Cb -0.02 -0.08 -0.06 0.00 0.00 0.00 0.00 17.79 17.63 2o95 h ALA 107 CO -0.09 0.12 0.31 0.82 0.00 0.00 0.00 179.25 180.42 2o95 h ILE 108 N 0.20 0.90 -0.63 0.00 2.04 -0.81 -2.31 117.51 116.90 2o95 h ILE 108 Ca 0.06 -0.19 -0.01 0.00 1.00 0.00 0.00 64.86 65.71 2o95 h ILE 108 Cb 0.52 0.28 -0.03 0.00 -0.74 0.00 0.00 36.82 36.85 2o95 h ILE 108 CO 0.02 0.10 0.34 -1.13 0.00 0.00 0.00 178.15 177.49 2o95 h ASN 109 N 0.57 0.76 -0.93 1.72 -1.24 -0.51 0.17 115.58 116.12 2o95 h ASN 109 Ca 0.30 -0.05 0.02 0.00 0.71 0.00 0.00 56.30 57.27 2o95 h ASN 109 Cb 0.25 -0.19 -0.05 0.00 0.73 0.00 0.00 38.32 39.06 2o95 h ASN 109 CO -0.22 0.62 0.61 -0.33 -1.29 0.00 0.00 177.43 176.82 2o95 h GLU 110 N 0.87 1.18 -0.37 6.67 4.39 -0.56 0.17 114.58 126.94 2o95 h GLU 110 Ca 0.22 -0.07 -0.04 0.00 0.34 0.00 0.00 59.36 59.81 2o95 h GLU 110 Cb 0.02 -0.27 -0.01 0.00 -0.10 0.00 0.00 28.75 28.39 2o95 h GLU 110 CO -0.04 0.78 0.08 1.25 -1.16 0.00 0.00 179.01 179.92 2o95 h LEU 111 N 1.22 0.57 -1.65 1.33 6.46 -0.84 -2.88 115.31 119.51 2o95 h LEU 111 Ca 0.36 -0.24 0.00 0.00 -0.12 0.00 0.00 57.88 57.87 2o95 h LEU 111 Cb -0.07 -0.15 -0.02 0.00 -0.73 0.00 0.00 40.66 39.70 2o95 h LEU 111 CO -0.10 0.67 0.21 0.24 -0.62 0.00 0.00 178.44 178.83 2o95 h MET 112 N 0.45 0.44 0.00 1.25 2.86 -0.25 -1.93 114.93 117.75 2o95 h MET 112 Ca 0.11 -0.03 0.00 0.00 -2.06 0.00 0.00 59.70 57.72 2o95 h MET 112 Cb 0.33 -0.10 0.00 0.00 0.06 0.00 0.00 31.60 31.89 2o95 h MET 112 CO 0.00 0.30 0.00 0.87 1.06 0.00 0.00 176.91 179.15 2o95 h LYS 113 N 0.45 0.00 -0.46 1.72 1.57 -0.47 0.16 116.57 119.54 2o95 h LYS 113 Ca 0.12 0.00 0.13 0.00 -1.87 0.00 0.00 60.65 59.03 2o95 h LYS 113 Cb -0.03 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.26 2o95 h LYS 113 CO -0.02 0.00 0.33 0.00 -0.57 0.00 0.00 179.45 179.19 2o95 h ARG 114 N 0.00 0.01 0.00 3.15 3.08 -1.34 -3.02 114.38 116.26 2o95 h ARG 114 Ca 0.00 -0.00 -0.18 0.00 0.07 0.00 0.00 59.98 59.87 2o95 h ARG 114 Cb 0.08 -0.00 -0.03 0.00 0.08 0.00 0.00 29.97 30.09 2o95 h ARG 114 CO 0.00 0.01 -1.93 0.66 -1.07 0.00 0.00 179.97 177.64 2o95 n TYR 115 N -4.40 0.00 -3.38 3.04 4.01 0.50 -4.85 117.16 112.08 2o95 n TYR 115 Ca 0.08 0.00 -0.17 0.00 -0.16 0.00 0.00 57.90 57.65 2o95 n TYR 115 Cb 0.53 -0.61 -0.08 0.00 -0.31 0.00 0.00 39.34 38.86 2o95 n TYR 115 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 2o95 h PRO 117 N 7.49 0.24 -0.92 0.00 0.11 -1.82 0.69 132.00 137.78 2o95 h PRO 117 Ca -0.01 -0.01 -0.59 0.00 0.11 0.00 0.00 66.00 65.49 2o95 h PRO 117 Cb 1.06 -0.05 -0.30 0.00 0.11 0.00 0.00 31.00 31.82 2o95 h PRO 117 CO 0.25 0.16 0.58 0.09 -0.21 0.00 0.00 178.00 178.86 2o95 n ASN 118 N -4.43 6.05 -4.57 -2.05 3.02 -1.26 -4.91 115.26 107.10 2o95 n ASN 118 Ca 0.20 -3.74 -0.52 0.00 -0.03 0.00 0.00 54.58 50.50 2o95 n ASN 118 Cb 0.85 -0.85 -0.05 0.00 -0.61 0.00 0.00 39.78 39.11 2o95 n ASN 118 CO 0.00 0.00 0.00 -0.24 -2.62 0.00 0.00 177.26 174.40 2o95 n SER 119 N -0.97 1.32 -4.51 6.41 2.88 0.24 -4.89 113.62 114.10 2o95 n SER 119 Ca 0.58 1.13 -0.33 0.00 -1.33 0.00 0.00 58.87 58.92 2o95 n SER 119 Cb 0.97 -1.17 -0.12 0.00 -0.75 0.00 0.00 64.21 63.14 2o95 n SER 119 CO 0.00 0.00 0.00 -0.69 -1.23 0.00 0.00 175.04 173.12 2o95 s VAL 120 N 0.19 3.49 -0.09 2.46 1.01 -0.89 -4.47 120.40 122.09 2o95 s VAL 120 Ca 0.81 -0.54 -0.12 0.00 0.00 0.00 0.00 61.98 62.13 2o95 s VAL 120 Cb -0.95 -2.44 -0.05 0.00 0.00 0.00 0.00 36.38 32.94 2o95 s VAL 120 CO 0.50 0.56 0.29 -0.22 0.00 0.00 0.00 175.10 176.23 2o95 s LEU 121 N -0.36 4.36 -0.16 3.92 2.96 0.38 -1.15 118.68 128.63 2o95 s LEU 121 Ca 0.05 0.65 0.02 0.00 -0.22 0.00 0.00 54.13 54.63 2o95 s LEU 121 Cb -0.12 -2.36 0.01 0.00 0.50 0.00 0.00 46.19 44.22 2o95 s LEU 121 CO 0.02 0.26 -0.20 -0.69 -1.32 0.00 0.00 176.35 174.42 2o95 s VAL 122 N -0.47 2.14 -0.23 1.68 1.01 0.10 0.16 120.40 124.79 2o95 s VAL 122 Ca 0.19 -0.93 -0.22 0.00 0.00 0.00 0.00 61.98 61.01 2o95 s VAL 122 Cb -0.14 -1.88 -0.01 0.00 0.00 0.00 0.00 36.38 34.35 2o95 s VAL 122 CO 0.07 0.54 0.72 -0.63 0.00 0.00 0.00 175.10 175.81 2o95 s ILE 123 N 1.02 4.93 -0.27 2.22 1.01 0.78 -2.08 121.20 128.81 2o95 s ILE 123 Ca -0.02 1.36 -0.08 0.00 0.00 0.00 0.00 60.65 61.91 2o95 s ILE 123 Cb -0.14 -4.02 -0.02 0.00 0.01 0.00 0.00 42.46 38.28 2o95 s ILE 123 CO -0.06 0.01 0.10 -0.63 0.00 0.00 0.00 174.94 174.36 2o95 s ILE 124 N 2.47 4.45 -0.28 2.92 1.01 0.09 -1.32 121.20 130.53 2o95 s ILE 124 Ca 0.31 -0.25 -0.29 0.00 0.00 0.00 0.00 60.65 60.42 2o95 s ILE 124 Cb -0.16 -3.15 -0.01 0.00 0.01 0.00 0.00 42.46 39.16 2o95 s ILE 124 CO 0.09 0.24 1.41 -0.62 0.00 0.00 0.00 174.94 176.06 2o95 s ASP 125 N 1.62 6.55 0.00 3.58 -1.08 0.89 -4.19 116.67 124.04 2o95 s ASP 125 Ca 0.06 1.31 0.19 0.00 -0.52 0.00 0.00 52.55 53.58 2o95 s ASP 125 Cb -0.16 -2.54 0.25 0.00 -1.46 0.00 0.00 42.92 39.02 2o95 s ASP 125 CO 0.05 -1.16 1.20 1.33 0.52 0.00 0.00 175.17 177.10 2o95 n VAL 126 N 6.34 0.27 -2.56 1.11 0.24 -1.26 -4.85 118.33 117.61 2o95 n VAL 126 Ca 0.16 -0.63 -0.42 0.00 -2.04 0.00 0.00 64.34 61.40 2o95 n VAL 126 Cb 0.46 1.16 -0.03 0.00 -1.47 0.00 0.00 33.84 33.96 2o95 n VAL 126 CO 0.00 0.00 0.00 -0.54 -2.14 0.00 0.00 176.83 174.15 2o95 s LYS 127 N -1.44 4.43 0.34 7.34 1.02 -1.26 -4.93 119.74 125.25 2o95 s LYS 127 Ca 0.27 1.57 0.07 0.00 0.02 0.00 0.00 55.97 57.90 2o95 s LYS 127 Cb 0.17 -3.49 0.75 0.00 -0.52 0.00 0.00 37.83 34.75 2o95 s LYS 127 CO 0.25 -0.28 1.86 -1.35 -0.92 0.00 0.00 175.35 174.90 2o95 h PRO 128 N 7.08 0.74 -2.24 -1.68 0.11 -2.03 -3.23 132.00 130.76 2o95 h PRO 128 Ca -0.37 -0.04 -0.58 0.00 0.11 0.00 0.00 66.00 65.12 2o95 h PRO 128 Cb 1.18 -0.17 -0.42 0.00 0.11 0.00 0.00 31.00 31.71 2o95 h PRO 128 CO 0.83 0.49 -0.69 1.63 -0.21 0.00 0.00 178.00 180.05 2o95 n LYS 129 N -4.58 2.88 -4.24 1.05 4.76 -1.26 -5.21 118.16 111.55 2o95 n LYS 129 Ca 0.18 -4.68 -0.14 0.00 -2.87 0.00 0.00 58.31 50.81 2o95 n LYS 129 Cb 0.45 -2.18 -0.10 0.00 -1.84 0.00 0.00 35.03 31.36 2o95 n LYS 129 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 2o95 s ASP 130 N -3.16 1.38 0.16 4.39 1.11 -1.22 -5.21 116.67 114.12 2o95 s ASP 130 Ca 0.46 -1.13 0.00 0.00 0.18 0.00 0.00 52.55 52.06 2o95 s ASP 130 Cb 0.26 0.08 0.00 0.00 1.07 0.00 0.00 42.92 44.33 2o95 s ASP 130 CO -0.11 -0.51 0.00 0.61 1.18 0.00 0.00 175.17 176.34 2o95 n GLY 132 N -0.23 -4.15 2.44 0.21 0.00 -1.26 -5.03 105.19 97.17 2o95 n GLY 132 Ca -0.08 -0.70 -0.03 0.00 0.00 0.00 0.00 46.02 45.21 2o95 n GLY 132 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2o95 n LEU 133 N 0.07 -5.68 0.14 0.99 4.77 -1.26 -5.07 117.00 110.96 2o95 n LEU 133 Ca 0.00 0.22 0.05 0.00 -0.03 0.00 0.00 56.01 56.25 2o95 n LEU 133 Cb 0.00 -2.57 0.51 0.00 -2.33 0.00 0.00 43.42 39.03 2o95 n LEU 133 CO 0.00 -1.28 1.06 1.55 -1.33 0.00 0.00 177.39 177.39 2o95 h PRO 134 N 0.96 0.24 -5.93 3.23 0.13 -1.94 -3.44 132.00 125.26 2o95 h PRO 134 Ca 0.00 -0.02 -0.56 0.00 -0.87 0.00 0.00 66.00 64.54 2o95 h PRO 134 Cb 0.78 -0.05 -0.27 0.00 0.13 0.00 0.00 31.00 31.59 2o95 h PRO 134 CO 0.16 0.20 -0.84 0.95 -0.23 0.00 0.00 178.00 178.24 2o95 s THR 135 N -5.14 1.56 -0.10 1.56 -4.23 -1.26 -0.08 115.64 107.95 2o95 s THR 135 Ca -0.06 -1.05 -0.02 0.00 -1.18 0.00 0.00 61.69 59.38 2o95 s THR 135 Cb 0.17 -1.34 0.03 0.00 1.34 0.00 0.00 72.50 72.70 2o95 s THR 135 CO 0.70 0.26 0.01 -0.70 -0.54 0.00 0.00 174.62 174.35 2o95 s GLU 136 N -0.93 0.62 0.05 3.99 2.12 -0.43 -4.84 118.70 119.28 2o95 s GLU 136 Ca 0.07 -0.00 0.02 0.00 0.36 0.00 0.00 54.97 55.42 2o95 s GLU 136 Cb -0.08 -1.22 -0.04 0.00 0.26 0.00 0.00 34.13 33.05 2o95 s GLU 136 CO 0.01 -0.38 0.07 0.00 -0.54 0.00 0.00 175.26 174.42 2o95 s ALA 137 N 1.95 3.53 0.01 6.30 0.00 -1.25 -0.15 121.76 132.15 2o95 s ALA 137 Ca 0.04 -0.98 -0.02 0.00 0.00 0.00 0.00 51.96 51.00 2o95 s ALA 137 Cb -0.13 -1.45 -0.01 0.00 0.00 0.00 0.00 23.12 21.53 2o95 s ALA 137 CO -0.06 0.72 0.01 0.71 0.00 0.00 0.00 175.76 177.15 2o95 s TYR 138 N -1.31 0.20 -0.03 0.00 2.02 0.12 -0.32 117.35 118.04 2o95 s TYR 138 Ca 0.27 -0.41 0.03 0.00 -0.37 0.00 0.00 57.07 56.59 2o95 s TYR 138 Cb -0.12 -0.15 -0.00 0.00 -0.40 0.00 0.00 41.96 41.29 2o95 s TYR 138 CO 0.19 -0.21 -0.13 -1.50 -1.57 0.00 0.00 175.55 172.33 2o95 s ILE 139 N -1.40 1.05 0.17 2.71 2.07 -0.25 -0.47 121.20 125.07 2o95 s ILE 139 Ca -0.15 -0.52 -0.30 0.00 -1.41 0.00 0.00 60.65 58.26 2o95 s ILE 139 Cb -0.09 -0.90 -0.08 0.00 0.13 0.00 0.00 42.46 41.52 2o95 s ILE 139 CO -0.00 0.31 1.29 -0.55 -1.91 0.00 0.00 174.94 174.07 2o95 s SER 140 N -0.01 6.95 0.12 4.50 0.15 -1.26 -0.14 113.70 124.01 2o95 s SER 140 Ca -0.01 2.31 0.07 0.00 0.70 0.00 0.00 55.95 59.02 2o95 s SER 140 Cb -0.08 -2.60 -0.04 0.00 -1.71 0.00 0.00 66.02 61.59 2o95 s SER 140 CO 0.01 -0.51 -0.17 0.68 1.20 0.00 0.00 173.24 174.45 2o95 s VAL 141 N 0.35 1.55 -0.01 4.45 -7.23 0.19 -4.90 120.40 114.80 2o95 s VAL 141 Ca 0.57 -1.69 -0.11 0.00 -1.81 0.00 0.00 61.98 58.95 2o95 s VAL 141 Cb -0.35 -1.58 -0.05 0.00 0.56 0.00 0.00 36.38 34.95 2o95 s VAL 141 CO 0.35 -0.27 0.32 -0.70 -0.31 0.00 0.00 175.10 174.49 2o95 s GLU 142 N -2.42 3.72 -0.29 4.82 2.12 -1.26 -0.97 118.70 124.42 2o95 s GLU 142 Ca 0.09 0.16 0.02 0.00 0.36 0.00 0.00 54.97 55.60 2o95 s GLU 142 Cb -0.07 -3.15 0.07 0.00 0.26 0.00 0.00 34.13 31.24 2o95 s GLU 142 CO 0.04 0.68 -0.04 -1.21 -0.54 0.00 0.00 175.26 174.20 2o95 s GLU 143 N -1.34 2.14 -0.17 4.30 2.02 0.26 -4.95 118.70 120.95 2o95 s GLU 143 Ca 0.24 -1.45 -0.26 0.00 0.02 0.00 0.00 54.97 53.52 2o95 s GLU 143 Cb -0.15 -3.06 -0.01 0.00 0.10 0.00 0.00 34.13 31.02 2o95 s GLU 143 CO 0.13 -0.68 0.89 0.08 0.02 0.00 0.00 175.26 175.70 2o95 s VAL 144 N 1.10 4.84 0.00 2.63 1.01 -1.26 -0.72 120.40 128.00 2o95 s VAL 144 Ca -0.04 1.76 0.00 0.00 0.00 0.00 0.00 61.98 63.70 2o95 s VAL 144 Cb -0.20 -4.19 0.00 0.00 0.00 0.00 0.00 36.38 31.99 2o95 s VAL 144 CO -0.05 -0.01 0.00 1.41 0.00 0.00 0.00 175.10 176.46 2o95 n HIS 145 N 5.34 0.00 -0.39 5.22 -0.00 -1.26 -5.02 115.22 119.11 2o95 n HIS 145 Ca 0.06 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.78 2o95 n HIS 145 Cb 0.48 0.00 0.00 0.00 -0.00 0.00 0.00 29.99 30.47 2o95 n HIS 145 CO 0.00 0.00 0.00 -0.35 -0.00 0.00 0.00 176.34 175.99 2o95 n PRO 150 N -0.82 0.00 -1.68 -0.41 -0.04 -1.26 -5.19 135.00 125.60 2o95 n PRO 150 Ca 0.00 0.00 -0.61 0.00 -0.04 0.00 0.00 63.50 62.85 2o95 n PRO 150 Cb 0.00 0.00 -0.08 0.00 -0.04 0.00 0.00 33.50 33.38 2o95 n PRO 150 CO 0.00 0.00 0.00 -2.37 -0.04 0.00 0.00 175.50 173.09 2o95 n THR 151 N -0.07 0.10 -4.13 0.52 5.66 -1.26 -4.94 114.28 110.16 2o95 n THR 151 Ca 0.00 -0.02 -0.26 0.00 -3.05 0.00 0.00 64.05 60.73 2o95 n THR 151 Cb 0.00 -0.70 -0.06 0.00 -1.55 0.00 0.00 70.33 68.02 2o95 n THR 151 CO 0.00 0.00 0.00 -0.55 -3.05 0.00 0.00 175.07 171.47 2o95 s SER 152 N 2.37 5.28 -0.08 1.09 0.15 0.10 -4.88 113.70 117.72 2o95 s SER 152 Ca 0.98 -0.24 0.01 0.00 0.70 0.00 0.00 55.95 57.40 2o95 s SER 152 Cb -1.25 -1.30 -0.03 0.00 -1.71 0.00 0.00 66.02 61.73 2o95 s SER 152 CO 0.68 0.06 -0.09 -0.54 1.20 0.00 0.00 173.24 174.55 2o95 s LYS 153 N -3.16 2.89 0.03 5.44 1.02 -1.26 0.89 119.74 125.59 2o95 s LYS 153 Ca 0.30 -0.59 -0.04 0.00 0.02 0.00 0.00 55.97 55.67 2o95 s LYS 153 Cb -0.09 -2.60 -0.02 0.00 -0.52 0.00 0.00 37.83 34.60 2o95 s LYS 153 CO 0.22 0.55 0.05 -0.08 -0.92 0.00 0.00 175.35 175.17 2o95 s THR 154 N -0.51 0.14 -0.07 2.17 -1.32 -0.15 -4.95 115.64 110.95 2o95 s THR 154 Ca 0.07 -1.14 -0.22 0.00 -1.21 0.00 0.00 61.69 59.20 2o95 s THR 154 Cb -0.12 -0.81 -0.04 0.00 -1.51 0.00 0.00 72.50 70.03 2o95 s THR 154 CO 0.02 -0.63 0.64 -0.36 -2.21 0.00 0.00 174.62 172.08 2o95 s PHE 155 N -2.45 3.57 -0.15 9.09 0.08 -1.26 0.53 117.98 127.39 2o95 s PHE 155 Ca -0.06 1.16 -0.06 0.00 0.12 0.00 0.00 56.93 58.08 2o95 s PHE 155 Cb -0.02 -2.73 -0.04 0.00 -0.57 0.00 0.00 43.02 39.66 2o95 s PHE 155 CO -0.04 0.13 0.07 -2.00 -0.10 0.00 0.00 175.22 173.28 2o95 s GLU 156 N 0.65 3.66 0.31 0.44 2.12 0.80 -4.91 118.70 121.76 2o95 s GLU 156 Ca 0.34 -0.31 -0.30 0.00 0.36 0.00 0.00 54.97 55.07 2o95 s GLU 156 Cb -0.17 -3.13 -0.11 0.00 0.26 0.00 0.00 34.13 30.98 2o95 s GLU 156 CO 0.16 0.48 1.56 -1.01 -0.54 0.00 0.00 175.26 175.91 2o95 s HIS 157 N -0.21 2.74 -0.04 5.30 3.76 -1.26 -1.09 115.29 124.49 2o95 s HIS 157 Ca 0.08 0.88 0.06 0.00 -0.15 0.00 0.00 55.06 55.93 2o95 s HIS 157 Cb -0.12 -4.04 -0.02 0.00 1.11 0.00 0.00 32.58 29.51 2o95 s HIS 157 CO 0.01 -3.38 -0.20 0.08 -0.85 0.00 0.00 174.74 170.40 2o95 s VAL 158 N -0.24 2.52 0.19 -0.90 1.01 0.57 -4.87 120.40 118.67 2o95 s VAL 158 Ca 0.61 -0.92 -0.33 0.00 0.00 0.00 0.00 61.98 61.33 2o95 s VAL 158 Cb -0.47 -1.94 -0.14 0.00 0.00 0.00 0.00 36.38 33.83 2o95 s VAL 158 CO 0.51 0.58 1.46 0.41 0.00 0.00 0.00 175.10 178.06 2o95 n THR 159 N 2.46 0.46 -4.01 3.92 -1.04 -1.23 -3.83 114.28 111.00 2o95 n THR 159 Ca -0.17 -0.11 -0.10 0.00 -2.04 0.00 0.00 64.05 61.63 2o95 n THR 159 Cb 0.52 -1.40 -0.11 0.00 -1.82 0.00 0.00 70.33 67.52 2o95 n THR 159 CO 0.00 0.00 0.00 -0.94 -0.64 0.00 0.00 175.07 173.49 2o95 s SER 160 N 0.55 0.40 0.02 8.00 1.04 -1.26 0.30 113.70 122.75 2o95 s SER 160 Ca 0.74 -0.57 -0.15 0.00 0.48 0.00 0.00 55.95 56.45 2o95 s SER 160 Cb -0.70 0.10 0.02 0.00 0.10 0.00 0.00 66.02 65.54 2o95 s SER 160 CO 0.45 -0.32 0.32 -1.83 0.98 0.00 0.00 173.24 172.84 2o95 s GLU 161 N -1.80 0.76 -0.10 4.02 -1.05 0.15 -4.93 118.70 115.75 2o95 s GLU 161 Ca -0.12 -0.35 -0.30 0.00 -0.15 0.00 0.00 54.97 54.06 2o95 s GLU 161 Cb -0.08 0.33 -0.02 0.00 -0.44 0.00 0.00 34.13 33.92 2o95 s GLU 161 CO -0.02 -0.23 1.20 0.42 0.95 0.00 0.00 175.26 177.58 2o95 s ILE 162 N -1.99 4.32 0.01 1.83 -1.09 -1.26 0.15 121.20 123.18 2o95 s ILE 162 Ca -0.09 1.63 -0.01 0.00 -2.23 0.00 0.00 60.65 59.95 2o95 s ILE 162 Cb -0.03 -4.05 -0.01 0.00 -1.58 0.00 0.00 42.46 36.79 2o95 s ILE 162 CO 0.00 -0.05 -0.01 -0.83 -1.23 0.00 0.00 174.94 172.83 2o95 s GLY 163 N 1.58 0.15 -0.03 6.18 0.00 -0.38 -4.87 107.32 109.95 2o95 s GLY 163 Ca 0.54 -0.36 -0.14 0.00 0.00 0.00 0.00 44.72 44.77 2o95 s GLY 163 CO 0.19 -0.41 0.30 0.00 0.00 0.00 0.00 173.10 173.18 2o95 s ALA 164 N -0.97 -0.76 0.71 3.20 0.00 -1.26 -3.96 121.76 118.71 2o95 s ALA 164 Ca -0.11 0.40 -0.15 0.00 0.00 0.00 0.00 51.96 52.11 2o95 s ALA 164 Cb -0.07 -0.03 0.03 0.00 0.00 0.00 0.00 23.12 23.05 2o95 s ALA 164 CO -0.01 -0.24 1.16 -2.00 0.00 0.00 0.00 175.76 174.68 2o95 s GLU 165 N -1.07 2.37 0.24 0.00 2.56 -1.26 -4.74 118.70 116.81 2o95 s GLU 165 Ca -0.11 1.60 -0.04 0.00 0.00 0.00 0.00 54.97 56.41 2o95 s GLU 165 Cb -0.05 -1.88 0.42 0.00 2.00 0.00 0.00 34.13 34.63 2o95 s GLU 165 CO 0.03 -1.62 1.77 1.49 -0.56 0.00 0.00 175.26 176.37 2o95 h GLU 166 N -0.22 0.57 -0.66 4.30 4.22 -2.01 0.32 114.58 121.09 2o95 h GLU 166 Ca -0.47 -0.03 -0.07 0.00 0.08 0.00 0.00 59.36 58.86 2o95 h GLU 166 Cb 1.27 -0.13 -0.03 0.00 0.50 0.00 0.00 28.75 30.37 2o95 h GLU 166 CO 0.51 0.38 0.13 0.00 -2.18 0.00 0.00 179.01 177.85 2o95 h ALA 167 N 1.49 0.88 -0.20 2.92 0.00 -2.00 -1.86 119.26 120.50 2o95 h ALA 167 Ca 0.40 -0.26 -0.10 0.00 0.00 0.00 0.00 54.91 54.95 2o95 h ALA 167 Cb 0.51 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 18.03 2o95 h ALA 167 CO -0.32 0.63 -0.32 1.49 0.00 0.00 0.00 179.25 180.72 2o95 h GLU 168 N 1.01 0.40 -0.16 0.00 4.81 -1.48 -2.04 114.58 117.12 2o95 h GLU 168 Ca 0.20 -0.17 -0.20 0.00 -0.13 0.00 0.00 59.36 59.06 2o95 h GLU 168 Cb 0.41 -0.01 0.01 0.00 0.63 0.00 0.00 28.75 29.78 2o95 h GLU 168 CO 0.01 0.68 -0.70 1.49 -0.73 0.00 0.00 179.01 179.76 2o95 h GLU 169 N 0.35 0.75 -0.71 1.92 4.81 -0.15 -2.26 114.58 119.29 2o95 h GLU 169 Ca 0.04 -0.60 0.03 0.00 -0.13 0.00 0.00 59.36 58.70 2o95 h GLU 169 Cb 0.74 0.12 -0.04 0.00 0.63 0.00 0.00 28.75 30.20 2o95 h GLU 169 CO 0.06 1.21 0.47 0.28 -0.73 0.00 0.00 179.01 180.30 2o95 h VAL 170 N 0.47 1.12 -0.68 0.32 2.07 -1.30 0.46 116.25 118.72 2o95 h VAL 170 Ca -0.04 -0.30 0.00 0.00 0.82 0.00 0.00 66.70 67.18 2o95 h VAL 170 Cb 1.33 0.16 -0.03 0.00 -1.52 0.00 0.00 31.29 31.23 2o95 h VAL 170 CO 0.15 0.16 0.43 1.23 0.02 0.00 0.00 177.57 179.56 2o95 h GLY 171 N 0.89 0.97 0.89 2.17 0.00 -1.23 0.52 103.07 107.27 2o95 h GLY 171 Ca 0.28 -0.38 -0.06 0.00 0.00 0.00 0.00 47.33 47.17 2o95 h GLY 171 CO -0.08 0.37 -0.06 -2.08 0.00 0.00 0.00 176.54 174.69 2o95 h VAL 172 N 0.92 1.28 -0.88 4.60 2.07 -0.71 -0.24 116.25 123.29 2o95 h VAL 172 Ca 0.25 -1.09 0.11 0.00 0.82 0.00 0.00 66.70 66.79 2o95 h VAL 172 Cb -0.07 1.37 -0.08 0.00 -1.52 0.00 0.00 31.29 30.99 2o95 h VAL 172 CO -0.05 0.35 0.52 -0.33 0.02 0.00 0.00 177.57 178.07 2o95 h GLU 173 N 0.35 0.82 -0.18 1.57 5.08 0.25 -1.75 114.58 120.71 2o95 h GLU 173 Ca 0.08 -0.05 -0.07 0.00 -1.00 0.00 0.00 59.36 58.32 2o95 h GLU 173 Cb 0.54 -0.18 -0.00 0.00 0.50 0.00 0.00 28.75 29.60 2o95 h GLU 173 CO 0.03 0.54 -0.15 0.45 -1.00 0.00 0.00 179.01 178.88 2o95 h HIS 174 N 0.84 0.50 -0.98 4.33 3.86 0.19 -2.42 115.15 121.47 2o95 h HIS 174 Ca 0.43 -0.14 0.09 0.00 -1.16 0.00 0.00 60.37 59.59 2o95 h HIS 174 Cb 0.42 -0.11 -0.12 0.00 1.06 0.00 0.00 27.41 28.66 2o95 h HIS 174 CO -0.05 0.77 -0.58 1.25 0.86 0.00 0.00 177.93 180.19 2o95 h LEU 175 N 0.08 -2.12 -1.06 2.43 5.85 -0.73 -1.77 115.31 117.99 2o95 h LEU 175 Ca 0.03 0.33 0.02 0.00 0.84 0.00 0.00 57.88 59.09 2o95 h LEU 175 Cb 0.67 0.94 -0.05 0.00 0.37 0.00 0.00 40.66 42.60 2o95 h LEU 175 CO 0.04 -0.24 0.64 0.25 -0.34 0.00 0.00 178.44 178.79 2o95 h LEU 176 N -0.01 1.09 -2.37 2.25 5.85 -1.20 -1.19 115.31 119.72 2o95 h LEU 176 Ca 0.17 -0.02 -0.01 0.00 0.84 0.00 0.00 57.88 58.86 2o95 h LEU 176 Cb 0.43 -0.27 -0.00 0.00 0.37 0.00 0.00 40.66 41.19 2o95 h LEU 176 CO -0.93 0.78 -0.04 0.03 -0.34 0.00 0.00 178.44 177.95 2o95 h ARG 177 N 1.29 0.00 0.01 1.25 3.08 -1.03 -3.17 114.38 115.81 2o95 h ARG 177 Ca 0.36 0.00 -0.21 0.00 0.07 0.00 0.00 59.98 60.20 2o95 h ARG 177 Cb -0.12 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 29.93 2o95 h ARG 177 CO -0.09 0.04 -0.90 -0.44 -1.07 0.00 0.00 179.97 177.51 2o95 h ASP 178 N 0.00 0.31 -3.43 7.04 3.32 -0.34 -3.49 116.42 119.84 2o95 h ASP 178 Ca -0.00 -0.26 -0.52 0.00 0.02 0.00 0.00 57.03 56.27 2o95 h ASP 178 Cb 0.16 -0.10 0.04 0.00 0.22 0.00 0.00 39.33 39.66 2o95 h ASP 178 CO 0.00 1.06 0.69 -0.63 -1.72 0.00 0.00 179.24 178.64 2o95 s ILE 179 N -3.19 2.97 0.07 0.35 1.01 -1.20 -5.07 121.20 116.14 2o95 s ILE 179 Ca -0.03 0.82 0.06 0.00 0.00 0.00 0.00 60.65 61.50 2o95 s ILE 179 Cb 0.10 -3.52 -0.04 0.00 0.01 0.00 0.00 42.46 39.01 2o95 s ILE 179 CO 0.84 0.13 -0.10 -0.54 0.00 0.00 0.00 174.94 175.27 2o95 s LYS 180 N -0.37 2.23 0.00 2.79 -0.14 -1.26 -5.12 119.74 117.87 2o95 s LYS 180 Ca 0.57 -0.93 0.29 0.00 -1.36 0.00 0.00 55.97 54.53 2o95 s LYS 180 Cb -0.39 -2.34 1.17 0.00 -1.68 0.00 0.00 37.83 34.59 2o95 s LYS 180 CO 0.41 0.54 1.81 -0.25 -0.76 0.00 0.00 175.35 177.10