#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2o6g s PRO 4 N 0.00 4.14 -0.12 -0.78 0.04 -1.26 -4.97 135.00 132.05 2o6g s PRO 4 Ca 0.00 2.55 -0.29 0.00 0.04 0.00 0.00 61.00 63.30 2o6g s PRO 4 Cb 0.00 -3.03 -0.01 0.00 0.04 0.00 0.00 34.50 31.50 2o6g s PRO 4 CO 0.00 -0.61 0.98 0.21 0.04 0.00 0.00 177.00 177.62 2o6g s LYS 5 N -0.51 4.40 0.44 4.56 2.20 -1.26 -5.02 119.74 124.54 2o6g s LYS 5 Ca 0.63 1.33 -0.24 0.00 -0.36 0.00 0.00 55.97 57.32 2o6g s LYS 5 Cb -0.47 -3.55 -0.08 0.00 -1.51 0.00 0.00 37.83 32.22 2o6g s LYS 5 CO 0.48 -0.32 1.20 -2.14 -0.36 0.00 0.00 175.35 174.21 2o6g s PRO 6 N 2.05 3.85 0.13 4.03 0.02 -1.26 -5.02 135.00 138.79 2o6g s PRO 6 Ca 0.47 1.89 -0.17 0.00 0.02 0.00 0.00 61.00 63.21 2o6g s PRO 6 Cb -0.18 -2.55 -0.07 0.00 0.02 0.00 0.00 34.50 31.72 2o6g s PRO 6 CO 0.17 -0.51 0.58 1.03 -0.33 0.00 0.00 177.00 177.94 2o6g s ARG 7 N -2.50 4.10 0.19 5.54 3.00 -1.26 -5.01 118.95 123.02 2o6g s ARG 7 Ca 0.61 0.64 -0.10 0.00 0.00 0.00 0.00 55.73 56.87 2o6g s ARG 7 Cb -0.32 -3.04 0.12 0.00 0.00 0.00 0.00 34.95 31.71 2o6g s ARG 7 CO 0.39 0.53 1.77 0.97 0.00 0.00 0.00 175.30 178.97 2o6g h ILE 8 N 3.08 1.24 -0.35 1.52 2.10 -1.98 -2.48 117.51 120.63 2o6g h ILE 8 Ca -0.49 -0.69 -0.08 0.00 1.08 0.00 0.00 64.86 64.68 2o6g h ILE 8 Cb 1.20 0.40 -0.01 0.00 -1.09 0.00 0.00 36.82 37.32 2o6g h ILE 8 CO 0.65 0.28 -0.09 -0.07 -1.08 0.00 0.00 178.15 177.84 2o6g h LEU 9 N 0.98 0.69 -0.68 2.19 3.38 -1.98 0.14 115.31 120.02 2o6g h LEU 9 Ca 0.24 -0.36 -0.11 0.00 0.09 0.00 0.00 57.88 57.73 2o6g h LEU 9 Cb 0.15 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 40.70 2o6g h LEU 9 CO -0.03 0.89 -0.18 -0.65 0.09 0.00 0.00 178.44 178.57 2o6g h PRO 10 N 0.47 0.84 -0.57 1.13 0.11 -1.99 -1.48 132.00 130.50 2o6g h PRO 10 Ca 0.09 -0.32 -0.06 0.00 0.11 0.00 0.00 66.00 65.81 2o6g h PRO 10 Cb 0.59 -0.05 -0.02 0.00 0.11 0.00 0.00 31.00 31.63 2o6g h PRO 10 CO 0.04 0.95 0.11 2.35 -0.21 0.00 0.00 178.00 181.24 2o6g h TRP 11 N 0.74 0.99 -0.49 0.65 7.01 -1.33 -1.79 115.95 121.74 2o6g h TRP 11 Ca 0.11 -0.13 -0.08 0.00 2.11 0.00 0.00 58.89 60.90 2o6g h TRP 11 Cb 0.70 -0.28 -0.02 0.00 -2.10 0.00 0.00 29.16 27.47 2o6g h TRP 11 CO 0.04 0.86 0.01 1.25 -2.79 0.00 0.00 178.44 177.81 2o6g h LEU 12 N 0.84 0.84 -1.03 0.65 6.46 -0.55 -2.16 115.31 120.36 2o6g h LEU 12 Ca 0.18 -0.30 -0.04 0.00 -0.12 0.00 0.00 57.88 57.60 2o6g h LEU 12 Cb 0.39 -0.23 -0.03 0.00 -0.73 0.00 0.00 40.66 40.07 2o6g h LEU 12 CO 0.01 0.93 0.23 0.58 -0.62 0.00 0.00 178.44 179.58 2o6g h VAL 13 N 0.72 1.23 -0.60 1.05 2.07 -1.13 -1.30 116.25 118.29 2o6g h VAL 13 Ca 0.14 -0.73 -0.05 0.00 0.82 0.00 0.00 66.70 66.87 2o6g h VAL 13 Cb 0.50 0.49 -0.02 0.00 -1.52 0.00 0.00 31.29 30.74 2o6g h VAL 13 CO 0.02 0.29 0.17 -1.28 0.02 0.00 0.00 177.57 176.79 2o6g h SER 14 N 0.91 0.88 -0.67 0.57 0.87 -1.01 -0.63 113.55 114.48 2o6g h SER 14 Ca 0.21 -0.22 -0.05 0.00 -1.23 0.00 0.00 61.79 60.50 2o6g h SER 14 Cb 0.20 -0.23 -0.03 0.00 -0.44 0.00 0.00 62.40 61.90 2o6g h SER 14 CO -0.02 0.87 0.24 1.56 -0.53 0.00 0.00 176.83 178.95 2o6g h GLN 15 N 0.85 1.04 -0.55 2.24 1.08 -0.85 -0.42 115.11 118.50 2o6g h GLN 15 Ca 0.19 -0.20 -0.06 0.00 -1.45 0.00 0.00 58.65 57.14 2o6g h GLN 15 Cb 0.32 -0.16 -0.02 0.00 -0.05 0.00 0.00 27.48 27.56 2o6g h GLN 15 CO -0.00 0.87 0.12 -0.07 -0.95 0.00 0.00 178.83 178.80 2o6g h LEU 16 N 1.01 0.85 -0.32 1.46 3.38 -0.81 0.71 115.31 121.58 2o6g h LEU 16 Ca 0.23 -0.24 -0.13 0.00 0.09 0.00 0.00 57.88 57.83 2o6g h LEU 16 Cb 0.25 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.77 2o6g h LEU 16 CO -0.01 0.87 -0.29 0.44 0.09 0.00 0.00 178.44 179.54 2o6g h ASP 17 N 0.79 0.81 -0.29 -0.43 3.32 -0.76 -3.15 116.42 116.72 2o6g h ASP 17 Ca 0.17 -0.46 -0.10 0.00 0.02 0.00 0.00 57.03 56.67 2o6g h ASP 17 Cb 0.36 -0.23 -0.02 0.00 0.22 0.00 0.00 39.33 39.67 2o6g h ASP 17 CO 0.00 1.11 -0.14 -0.07 -1.72 0.00 0.00 179.24 178.42 2o6g h LEU 18 N 0.53 0.72 -1.64 1.55 -0.00 -1.01 -3.47 115.31 111.98 2o6g h LEU 18 Ca 0.05 -0.22 -0.30 0.00 -0.00 0.00 0.00 57.88 57.41 2o6g h LEU 18 Cb 0.87 -0.19 0.15 0.00 -0.00 0.00 0.00 40.66 41.49 2o6g h LEU 18 CO 0.07 0.88 -0.70 0.61 -0.00 0.00 0.00 178.44 179.30 2o6g n GLY 19 N -0.42 -0.30 0.11 0.83 0.00 0.23 -4.94 105.19 100.71 2o6g n GLY 19 Ca 0.01 0.06 -0.01 0.00 0.00 0.00 0.00 46.02 46.08 2o6g n GLY 19 CO 0.00 0.00 0.00 -1.61 0.00 0.00 0.00 173.32 171.71 2o6g h GLN 20 N -1.77 0.00 -5.96 1.61 5.75 -1.90 -3.46 115.11 109.37 2o6g h GLN 20 Ca -0.54 0.00 -0.60 0.00 -0.15 0.00 0.00 58.65 57.36 2o6g h GLN 20 Cb 1.31 0.00 -0.04 0.00 1.07 0.00 0.00 27.48 29.82 2o6g h GLN 20 CO 0.46 0.57 -0.50 -1.17 -2.65 0.00 0.00 178.83 175.54 2o6g s LEU 21 N -6.35 4.31 -0.08 -2.39 0.20 -1.26 -5.06 118.68 108.04 2o6g s LEU 21 Ca 0.01 0.22 -0.30 0.00 0.69 0.00 0.00 54.13 54.76 2o6g s LEU 21 Cb 0.08 -2.91 -0.04 0.00 -0.43 0.00 0.00 46.19 42.90 2o6g s LEU 21 CO 0.78 0.14 1.48 -1.61 -0.29 0.00 0.00 176.35 176.85 2o6g s GLU 22 N -2.67 4.22 -0.48 1.98 2.02 -1.26 -3.45 118.70 119.05 2o6g s GLU 22 Ca 0.34 1.97 -0.03 0.00 0.02 0.00 0.00 54.97 57.28 2o6g s GLU 22 Cb -0.12 -3.84 0.00 0.00 0.10 0.00 0.00 34.13 30.27 2o6g s GLU 22 CO 0.28 -0.75 0.42 0.41 0.02 0.00 0.00 175.26 175.63 2o6g n GLY 23 N 3.87 0.35 0.23 -1.39 0.00 -1.26 -4.75 105.19 102.24 2o6g n GLY 23 Ca 0.15 -0.32 -0.10 0.00 0.00 0.00 0.00 46.02 45.75 2o6g n GLY 23 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 2o6g n VAL 24 N -3.12 0.72 -1.40 1.61 0.24 -1.22 -4.12 118.33 111.03 2o6g n VAL 24 Ca -0.02 -0.24 -0.50 0.00 -2.04 0.00 0.00 64.34 61.54 2o6g n VAL 24 Cb 0.53 -1.17 -0.04 0.00 -1.47 0.00 0.00 33.84 31.69 2o6g n VAL 24 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2o6g n ALA 25 N -3.09 -3.04 -0.68 2.33 0.00 -1.26 -3.55 120.51 111.22 2o6g n ALA 25 Ca -0.23 0.47 -0.32 0.00 0.00 0.00 0.00 53.44 53.36 2o6g n ALA 25 Cb 0.72 -1.62 0.17 0.00 0.00 0.00 0.00 19.45 18.72 2o6g n ALA 25 CO 0.00 0.00 0.00 0.91 0.00 0.00 0.00 177.50 178.41 2o6g n TRP 26 N 0.38 -1.18 -0.10 0.00 7.02 -1.26 -3.94 117.44 118.35 2o6g n TRP 26 Ca 0.18 0.14 -0.24 0.00 -1.02 0.00 0.00 57.50 56.56 2o6g n TRP 26 Cb 0.20 -1.70 -0.11 0.00 -2.42 0.00 0.00 31.31 27.28 2o6g n TRP 26 CO 0.00 0.00 0.00 1.33 -2.02 0.00 0.00 177.69 177.00 2o6g n VAL 27 N -4.25 1.56 -3.02 -0.99 0.24 -0.45 -4.83 118.33 106.59 2o6g n VAL 27 Ca 0.04 -0.24 -0.39 0.00 -2.04 0.00 0.00 64.34 61.70 2o6g n VAL 27 Cb 0.57 -1.92 -0.06 0.00 -1.47 0.00 0.00 33.84 30.96 2o6g n VAL 27 CO 0.00 0.00 0.00 0.21 -2.14 0.00 0.00 176.83 174.90 2o6g s ASN 28 N -7.05 7.32 0.34 -1.34 3.84 -1.24 -4.97 114.94 111.85 2o6g s ASN 28 Ca -0.31 1.56 0.09 0.00 0.21 0.00 0.00 52.86 54.41 2o6g s ASN 28 Cb 0.09 -2.48 0.63 0.00 -0.55 0.00 0.00 41.25 38.94 2o6g s ASN 28 CO 0.58 0.18 1.80 0.11 -2.79 0.00 0.00 177.10 176.98 2o6g h LYS 29 N 4.60 0.15 0.00 0.43 1.79 -1.92 -0.98 116.57 120.65 2o6g h LYS 29 Ca -0.47 -0.06 0.00 0.00 -2.18 0.00 0.00 60.65 57.95 2o6g h LYS 29 Cb 1.21 -0.01 0.00 0.00 -1.58 0.00 0.00 32.23 31.85 2o6g h LYS 29 CO 0.67 0.47 0.00 -1.13 -1.08 0.00 0.00 179.45 178.38 2o6g n SER 30 N -4.11 0.00 -2.06 0.86 3.41 -1.26 -4.86 113.62 105.60 2o6g n SER 30 Ca -0.01 0.35 -0.17 0.00 -0.26 0.00 0.00 58.87 58.78 2o6g n SER 30 Cb 0.40 -0.41 0.01 0.00 -0.26 0.00 0.00 64.21 63.95 2o6g n SER 30 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 2o6g n ARG 31 N -1.41 -2.32 -0.05 4.33 1.74 -0.37 -4.91 116.66 113.66 2o6g n ARG 31 Ca 0.03 0.75 0.12 0.00 -0.77 0.00 0.00 57.85 57.98 2o6g n ARG 31 Cb 0.10 -5.16 0.40 0.00 -1.02 0.00 0.00 32.46 26.79 2o6g n ARG 31 CO 0.00 0.00 0.00 -2.37 -1.52 0.00 0.00 177.63 173.74 2o6g n THR 32 N -4.10 0.14 -3.70 0.55 5.66 -1.26 -4.77 114.28 106.80 2o6g n THR 32 Ca -0.15 -0.35 -0.14 0.00 -3.05 0.00 0.00 64.05 60.36 2o6g n THR 32 Cb 0.62 0.54 -0.09 0.00 -1.55 0.00 0.00 70.33 69.85 2o6g n THR 32 CO 0.00 0.00 0.00 -0.13 -3.05 0.00 0.00 175.07 171.89 2o6g s ARG 33 N -1.86 0.66 0.19 1.09 0.52 -1.26 -1.93 118.95 116.35 2o6g s ARG 33 Ca 0.35 0.37 -0.09 0.00 -0.52 0.00 0.00 55.73 55.84 2o6g s ARG 33 Cb 0.19 0.31 -0.01 0.00 0.52 0.00 0.00 34.95 35.96 2o6g s ARG 33 CO 0.30 -0.14 0.30 -0.59 0.02 0.00 0.00 175.30 175.19 2o6g s PHE 34 N -0.39 0.49 -0.00 -0.53 -0.12 -1.24 -1.35 117.98 114.85 2o6g s PHE 34 Ca -0.05 -0.84 0.03 0.00 -0.05 0.00 0.00 56.93 56.02 2o6g s PHE 34 Cb -0.03 -0.07 -0.03 0.00 -0.63 0.00 0.00 43.02 42.25 2o6g s PHE 34 CO 0.03 -0.76 -0.07 1.03 -0.05 0.00 0.00 175.22 175.40 2o6g s ARG 35 N -4.00 2.55 -0.07 1.99 0.52 -1.23 -3.61 118.95 115.09 2o6g s ARG 35 Ca 0.21 -0.72 0.02 0.00 -0.52 0.00 0.00 55.73 54.73 2o6g s ARG 35 Cb 0.03 -2.50 0.01 0.00 0.52 0.00 0.00 34.95 33.01 2o6g s ARG 35 CO 0.03 0.60 -0.13 0.42 0.02 0.00 0.00 175.30 176.25 2o6g s ILE 36 N -0.98 1.25 0.00 1.52 1.01 -0.87 -4.17 121.20 118.96 2o6g s ILE 36 Ca 0.17 -0.54 0.00 0.00 0.00 0.00 0.00 60.65 60.28 2o6g s ILE 36 Cb -0.11 -1.14 0.00 0.00 0.01 0.00 0.00 42.46 41.22 2o6g s ILE 36 CO 0.07 0.38 0.00 -2.65 0.00 0.00 0.00 174.94 172.74 2o6g n PRO 37 N 3.86 0.00 -1.98 2.79 -0.02 -1.26 -2.33 135.00 136.06 2o6g n PRO 37 Ca -0.22 0.00 -0.38 0.00 -2.02 0.00 0.00 63.50 60.88 2o6g n PRO 37 Cb 0.52 -1.26 -0.03 0.00 -0.02 0.00 0.00 33.50 32.70 2o6g n PRO 37 CO 0.00 0.00 0.00 -0.46 1.98 0.00 0.00 175.50 177.02 2o6g s TRP 38 N 1.18 1.59 0.00 6.00 -0.11 -1.26 -4.52 118.94 121.82 2o6g s TRP 38 Ca 0.00 0.88 0.00 0.00 1.22 0.00 0.00 56.10 58.20 2o6g s TRP 38 Cb 0.00 -4.03 0.00 0.00 -1.50 0.00 0.00 33.47 27.94 2o6g s TRP 38 CO 0.00 -2.35 0.00 1.17 -4.62 0.00 0.00 176.95 171.15 2o6g n LYS 39 N 9.15 0.00 -3.98 5.86 4.81 -1.26 -2.46 118.16 130.28 2o6g n LYS 39 Ca 0.22 0.00 -0.08 0.00 -0.87 0.00 0.00 58.31 57.58 2o6g n LYS 39 Cb 0.52 0.00 -0.09 0.00 0.02 0.00 0.00 35.03 35.48 2o6g n LYS 39 CO 0.00 0.00 0.00 -1.58 1.17 0.00 0.00 177.40 176.99 2o6g s HIS 40 N 3.93 0.32 -0.17 5.64 5.04 -1.26 -5.03 115.29 123.77 2o6g s HIS 40 Ca 0.00 -0.75 0.18 0.00 -1.54 0.00 0.00 55.06 52.96 2o6g s HIS 40 Cb 0.00 -0.23 -0.26 0.00 0.04 0.00 0.00 32.58 32.13 2o6g s HIS 40 CO 0.00 -0.40 0.13 0.41 -2.34 0.00 0.00 174.74 172.55 2o6g n GLY 41 N 0.39 -0.99 0.43 1.59 0.00 -1.26 -4.35 105.19 101.00 2o6g n GLY 41 Ca -0.17 -0.37 0.03 0.00 0.00 0.00 0.00 46.02 45.52 2o6g n GLY 41 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2o6g n LEU 42 N -2.67 1.21 0.00 0.99 4.77 -1.26 -4.79 117.00 115.25 2o6g n LEU 42 Ca -0.28 -0.60 0.00 0.00 -0.03 0.00 0.00 56.01 55.09 2o6g n LEU 42 Cb 1.06 -0.18 0.00 0.00 -2.33 0.00 0.00 43.42 41.97 2o6g n LEU 42 CO 0.43 0.28 0.00 0.54 -1.33 0.00 0.00 177.39 177.31 2o6g n ARG 43 N 0.10 0.00 0.00 3.23 1.74 -1.26 -5.12 116.66 115.35 2o6g n ARG 43 Ca 0.07 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.15 2o6g n ARG 43 Cb 0.21 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 31.65 2o6g n ARG 43 CO 0.00 0.00 0.00 1.04 -1.52 0.00 0.00 177.63 177.15 2o6g n GLN 44 N 0.00 0.00 -0.21 5.56 1.13 -1.26 -4.89 117.38 117.70 2o6g n GLN 44 Ca 0.00 0.00 0.00 0.00 -1.94 0.00 0.00 57.00 55.06 2o6g n GLN 44 Cb 0.00 0.00 0.00 0.00 0.11 0.00 0.00 30.24 30.35 2o6g n GLN 44 CO 0.00 0.00 0.00 -0.40 -1.44 0.00 0.00 177.06 175.22 2o6g n ASP 45 N -0.61 3.88 -4.67 1.08 5.75 -1.26 -4.88 116.55 115.84 2o6g n ASP 45 Ca 0.00 -2.11 -0.43 0.00 -0.01 0.00 0.00 54.79 52.24 2o6g n ASP 45 Cb 0.00 -0.75 -0.02 0.00 -1.03 0.00 0.00 41.12 39.32 2o6g n ASP 45 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2o6g s ALA 46 N 0.06 3.55 0.00 2.12 0.00 -1.26 -4.91 121.76 121.32 2o6g s ALA 46 Ca 0.00 0.30 0.00 0.00 0.00 0.00 0.00 51.96 52.26 2o6g s ALA 46 Cb 0.00 -3.50 0.00 0.00 0.00 0.00 0.00 23.12 19.62 2o6g s ALA 46 CO 0.00 -0.85 0.00 1.04 0.00 0.00 0.00 175.76 175.95 2o6g n GLN 47 N 5.70 0.63 -0.04 0.00 6.02 -1.26 -5.01 117.38 123.42 2o6g n GLN 47 Ca 0.11 0.00 0.12 0.00 -0.01 0.00 0.00 57.00 57.22 2o6g n GLN 47 Cb 0.47 0.00 0.45 0.00 1.02 0.00 0.00 30.24 32.18 2o6g n GLN 47 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 2o6g n GLN 48 N 0.00 1.71 -0.03 -1.09 10.64 -1.26 -3.47 117.38 123.89 2o6g n GLN 48 Ca 0.00 -1.05 -0.12 0.00 -1.83 0.00 0.00 57.00 54.00 2o6g n GLN 48 Cb 0.00 -1.44 -0.14 0.00 -0.86 0.00 0.00 30.24 27.80 2o6g n GLN 48 CO 0.00 0.00 0.00 -1.91 -1.83 0.00 0.00 177.06 173.32 2o6g n GLU 49 N 0.27 0.67 0.00 2.61 2.13 -1.26 -3.30 120.64 121.76 2o6g n GLU 49 Ca 0.18 0.26 0.13 0.00 0.66 0.00 0.00 57.16 58.39 2o6g n GLU 49 Cb 0.35 -1.74 0.38 0.00 0.27 0.00 0.00 31.44 30.70 2o6g n GLU 49 CO 0.00 0.00 0.00 -0.25 -0.41 0.00 0.00 177.13 176.47 2o6g n ASP 50 N -3.13 1.38 -1.55 4.31 9.92 -1.24 -3.68 116.55 122.57 2o6g n ASP 50 Ca -0.23 -1.22 -0.03 0.00 -0.53 0.00 0.00 54.79 52.79 2o6g n ASP 50 Cb 1.06 0.11 0.09 0.00 -0.64 0.00 0.00 41.12 41.73 2o6g n ASP 50 CO 0.00 0.00 0.00 0.49 0.13 0.00 0.00 177.20 177.82 2o6g n PHE 51 N -0.20 0.86 -0.19 1.24 3.01 -1.23 -4.43 117.46 116.54 2o6g n PHE 51 Ca 0.14 -1.53 -0.08 0.00 1.01 0.00 0.00 57.45 57.00 2o6g n PHE 51 Cb 0.37 -0.24 0.02 0.00 -0.01 0.00 0.00 39.48 39.62 2o6g n PHE 51 CO 0.00 0.00 0.00 0.78 1.01 0.00 0.00 176.76 178.55 2o6g h GLY 52 N 1.56 0.88 1.05 1.37 0.00 -1.62 0.79 103.07 107.09 2o6g h GLY 52 Ca 0.00 -0.49 -0.12 0.00 0.00 0.00 0.00 47.33 46.72 2o6g h GLY 52 CO 0.23 0.46 -0.21 -2.22 0.00 0.00 0.00 176.54 174.80 2o6g h ILE 53 N 0.73 1.28 -0.71 2.60 5.03 -1.90 0.36 117.51 124.90 2o6g h ILE 53 Ca 0.18 -1.36 -0.03 0.00 -0.12 0.00 0.00 64.86 63.53 2o6g h ILE 53 Cb 0.23 1.26 -0.03 0.00 -3.03 0.00 0.00 36.82 35.25 2o6g h ILE 53 CO -0.01 0.46 0.34 -0.26 -0.68 0.00 0.00 178.15 178.00 2o6g h PHE 54 N 0.69 1.03 -0.38 1.37 0.04 -1.87 -0.00 116.94 117.81 2o6g h PHE 54 Ca 0.09 -0.05 -0.14 0.00 2.80 0.00 0.00 57.97 60.67 2o6g h PHE 54 Cb 0.78 -0.32 -0.01 0.00 2.20 0.00 0.00 35.95 38.60 2o6g h PHE 54 CO 0.06 0.76 -0.31 0.37 -0.60 0.00 0.00 178.31 178.59 2o6g h GLN 55 N 0.99 0.84 -0.75 1.51 4.15 -0.57 -2.47 115.11 118.81 2o6g h GLN 55 Ca 0.24 -0.39 -0.03 0.00 0.77 0.00 0.00 58.65 59.24 2o6g h GLN 55 Cb 0.12 -0.01 -0.03 0.00 0.21 0.00 0.00 27.48 27.77 2o6g h GLN 55 CO -0.03 1.03 0.34 0.00 -1.93 0.00 0.00 178.83 178.25 2o6g h ALA 56 N 0.93 0.97 -0.55 3.38 0.00 0.37 0.13 119.26 124.49 2o6g h ALA 56 Ca 0.08 -0.16 -0.09 0.00 0.00 0.00 0.00 54.91 54.74 2o6g h ALA 56 Cb 0.86 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 18.34 2o6g h ALA 56 CO 0.08 0.55 -0.01 2.35 0.00 0.00 0.00 179.25 182.22 2o6g h TRP 57 N 1.06 1.07 -0.53 0.00 2.91 -0.96 0.17 115.95 119.66 2o6g h TRP 57 Ca 0.26 -0.19 -0.06 0.00 1.13 0.00 0.00 58.89 60.02 2o6g h TRP 57 Cb 0.14 -0.28 -0.02 0.00 -0.51 0.00 0.00 29.16 28.50 2o6g h TRP 57 CO 0.01 0.97 0.08 0.00 -1.03 0.00 0.00 178.44 178.47 2o6g h ALA 58 N 0.96 0.71 -0.50 2.65 0.00 -0.97 -0.17 119.26 121.93 2o6g h ALA 58 Ca 0.16 -0.25 -0.12 0.00 0.00 0.00 0.00 54.91 54.70 2o6g h ALA 58 Cb 0.55 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.12 2o6g h ALA 58 CO 0.03 0.45 -0.17 0.93 0.00 0.00 0.00 179.25 180.50 2o6g h GLU 59 N 0.77 0.99 -0.66 0.00 5.08 -0.84 -1.38 114.58 118.54 2o6g h GLU 59 Ca 0.16 -0.39 -0.04 0.00 -1.00 0.00 0.00 59.36 58.09 2o6g h GLU 59 Cb 0.41 -0.05 -0.03 0.00 0.50 0.00 0.00 28.75 29.58 2o6g h GLU 59 CO 0.01 1.07 0.24 0.00 -1.00 0.00 0.00 179.01 179.33 2o6g h ALA 60 N 0.93 1.19 -0.20 3.43 0.00 -0.26 -2.58 119.26 121.77 2o6g h ALA 60 Ca 0.12 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.85 2o6g h ALA 60 Cb 0.73 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 18.26 2o6g h ALA 60 CO 0.06 0.58 0.00 0.25 0.00 0.00 0.00 179.25 180.14 2o6g n THR 61 N -4.29 0.25 -0.17 0.00 -2.24 -0.11 -4.76 114.28 102.96 2o6g n THR 61 Ca 0.06 -0.35 0.00 0.00 -2.27 0.00 0.00 64.05 61.49 2o6g n THR 61 Cb 0.19 0.29 0.00 0.00 -2.10 0.00 0.00 70.33 68.70 2o6g n THR 61 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2o6g n GLY 62 N 1.08 1.65 0.37 3.38 0.00 -0.97 -4.78 105.19 105.92 2o6g n GLY 62 Ca 0.15 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.30 2o6g n GLY 62 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2o6g h ALA 63 N 0.00 2.00 -3.30 4.61 0.00 -1.76 -3.41 119.26 117.40 2o6g h ALA 63 Ca 0.00 0.00 -0.20 0.00 0.00 0.00 0.00 54.91 54.71 2o6g h ALA 63 Cb 0.00 -0.09 -0.24 0.00 0.00 0.00 0.00 17.79 17.46 2o6g h ALA 63 CO 0.00 -0.20 -0.71 -0.47 0.00 0.00 0.00 179.25 177.87 2o6g s TYR 64 N -5.49 0.17 -0.03 0.00 5.04 -0.55 -4.98 117.35 111.51 2o6g s TYR 64 Ca -0.08 -0.31 -0.00 0.00 -2.44 0.00 0.00 57.07 54.24 2o6g s TYR 64 Cb 0.21 -0.12 0.03 0.00 0.35 0.00 0.00 41.96 42.43 2o6g s TYR 64 CO 0.77 -0.11 0.02 0.08 -1.34 0.00 0.00 175.55 174.97 2o6g s VAL 65 N -0.84 0.05 0.00 3.14 1.01 -1.26 -3.32 120.40 119.18 2o6g s VAL 65 Ca -0.09 0.19 0.00 0.00 0.00 0.00 0.00 61.98 62.08 2o6g s VAL 65 Cb -0.06 -0.19 0.00 0.00 0.00 0.00 0.00 36.38 36.14 2o6g s VAL 65 CO -0.01 0.13 0.36 -0.81 0.00 0.00 0.00 175.10 174.77 2o6g n PRO 66 N 4.36 0.27 -0.38 2.72 -0.04 -1.26 -2.04 135.00 138.63 2o6g n PRO 66 Ca -0.23 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.23 2o6g n PRO 66 Cb 0.50 -1.37 0.00 0.00 -0.04 0.00 0.00 33.50 32.59 2o6g n PRO 66 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2o6g n GLY 67 N 1.21 -0.17 0.62 0.55 0.00 -1.26 -5.02 105.19 101.12 2o6g n GLY 67 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 2o6g n GLY 67 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 2o6g n ARG 68 N 0.00 0.00 -1.63 1.61 0.00 -0.86 -5.13 116.66 110.65 2o6g n ARG 68 Ca 0.00 0.00 -0.48 0.00 -0.00 0.00 0.00 57.85 57.37 2o6g n ARG 68 Cb 0.64 0.00 -0.04 0.00 0.00 0.00 0.00 32.46 33.05 2o6g n ARG 68 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.63 177.38 2o6g n ASP 69 N -1.62 2.20 -4.53 6.15 9.92 -1.20 -4.88 116.55 122.58 2o6g n ASP 69 Ca 0.00 1.12 -0.41 0.00 -0.53 0.00 0.00 54.79 54.97 2o6g n ASP 69 Cb 0.00 -1.32 -0.03 0.00 -0.64 0.00 0.00 41.12 39.13 2o6g n ASP 69 CO 0.00 0.00 0.00 -1.59 0.13 0.00 0.00 177.20 175.74 2o6g s LYS 70 N 0.06 3.19 -0.27 -1.24 -2.85 -1.26 -4.70 119.74 112.68 2o6g s LYS 70 Ca 0.75 -0.36 -0.25 0.00 -1.00 0.00 0.00 55.97 55.11 2o6g s LYS 70 Cb -0.77 -4.22 -0.11 0.00 -2.06 0.00 0.00 37.83 30.67 2o6g s LYS 70 CO 0.47 -2.10 0.93 -2.30 0.10 0.00 0.00 175.35 172.45 2o6g n PRO 71 N 9.10 0.00 -3.98 1.78 -0.02 -1.26 -4.94 135.00 135.68 2o6g n PRO 71 Ca 0.03 0.00 -0.31 0.00 -2.02 0.00 0.00 63.50 61.20 2o6g n PRO 71 Cb 0.48 -0.81 -0.14 0.00 -0.02 0.00 0.00 33.50 33.01 2o6g n PRO 71 CO 0.00 0.00 0.00 0.34 1.98 0.00 0.00 175.50 177.82 2o6g s ASP 72 N 1.97 4.58 0.28 2.55 -1.08 -1.26 -4.98 116.67 118.73 2o6g s ASP 72 Ca 0.58 -2.56 -0.02 0.00 -0.52 0.00 0.00 52.55 50.03 2o6g s ASP 72 Cb -0.81 -1.64 0.39 0.00 -1.46 0.00 0.00 42.92 39.39 2o6g s ASP 72 CO 0.42 -0.32 1.85 -0.07 0.52 0.00 0.00 175.17 177.58 2o6g h LEU 73 N 7.10 0.84 -0.64 -1.34 -0.00 -1.98 -2.79 115.31 116.50 2o6g h LEU 73 Ca -0.06 -0.12 -0.04 0.00 -0.00 0.00 0.00 57.88 57.66 2o6g h LEU 73 Cb 0.96 -0.22 -0.03 0.00 -0.00 0.00 0.00 40.66 41.37 2o6g h LEU 73 CO 0.60 0.77 0.26 -0.65 -0.00 0.00 0.00 178.44 179.42 2o6g h PRO 74 N 0.90 0.96 -0.36 1.13 0.11 -2.01 -2.90 132.00 129.82 2o6g h PRO 74 Ca 0.21 -0.17 -0.12 0.00 0.11 0.00 0.00 66.00 66.03 2o6g h PRO 74 Cb 0.20 -0.16 -0.01 0.00 0.11 0.00 0.00 31.00 31.15 2o6g h PRO 74 CO -0.02 0.80 -0.27 1.15 -0.21 0.00 0.00 178.00 179.46 2o6g h THR 75 N 0.90 1.28 -0.67 -1.15 2.02 -1.98 -3.09 112.91 110.22 2o6g h THR 75 Ca 0.21 -1.39 -0.02 0.00 0.77 0.00 0.00 66.41 65.98 2o6g h THR 75 Cb 0.20 1.29 -0.03 0.00 -1.74 0.00 0.00 68.15 67.87 2o6g h THR 75 CO -0.02 0.46 0.32 -0.50 0.37 0.00 0.00 175.52 176.15 2o6g h TRP 76 N 0.64 0.94 -0.40 3.16 6.55 -1.36 -1.86 115.95 123.62 2o6g h TRP 76 Ca 0.08 -0.03 -0.10 0.00 0.95 0.00 0.00 58.89 59.78 2o6g h TRP 76 Cb 0.78 -0.30 -0.02 0.00 -0.86 0.00 0.00 29.16 28.77 2o6g h TRP 76 CO 0.04 0.68 -0.18 -0.22 -1.05 0.00 0.00 178.44 177.72 2o6g h LYS 77 N 0.94 0.75 -0.46 0.49 3.64 -1.47 -2.53 116.57 117.93 2o6g h LYS 77 Ca 0.23 -0.28 -0.05 0.00 -1.27 0.00 0.00 60.65 59.29 2o6g h LYS 77 Cb 0.09 -0.05 -0.02 0.00 -0.41 0.00 0.00 32.23 31.85 2o6g h LYS 77 CO -0.03 0.88 0.11 0.00 -2.27 0.00 0.00 179.45 178.13 2o6g h ARG 78 N 0.66 0.75 -0.53 1.90 2.47 -1.28 -1.96 114.38 116.39 2o6g h ARG 78 Ca 0.10 -0.18 -0.12 0.00 -1.26 0.00 0.00 59.98 58.52 2o6g h ARG 78 Cb 0.67 -0.10 -0.02 0.00 -1.65 0.00 0.00 29.97 28.87 2o6g h ARG 78 CO 0.05 0.74 -0.13 -0.91 0.56 0.00 0.00 179.97 180.28 2o6g h ASN 79 N 0.62 1.02 -0.29 7.04 4.21 -1.35 -2.83 115.58 124.01 2o6g h ASN 79 Ca 0.14 -0.36 -0.12 0.00 1.21 0.00 0.00 56.30 57.18 2o6g h ASN 79 Cb 0.33 -0.28 -0.01 0.00 -1.12 0.00 0.00 38.32 37.24 2o6g h ASN 79 CO 0.00 1.15 -0.23 0.15 -1.29 0.00 0.00 177.43 177.21 2o6g h PHE 80 N 0.89 0.87 -0.60 1.19 3.57 -1.41 -3.18 116.94 118.28 2o6g h PHE 80 Ca 0.13 -0.20 -0.06 0.00 3.53 0.00 0.00 57.97 61.37 2o6g h PHE 80 Cb 0.70 -0.21 -0.02 0.00 2.79 0.00 0.00 35.95 39.21 2o6g h PHE 80 CO 0.05 0.92 0.15 -0.09 -2.23 0.00 0.00 178.31 177.11 2o6g h ARG 81 N 0.67 0.96 -0.60 1.11 2.43 -1.25 -3.21 114.38 114.49 2o6g h ARG 81 Ca 0.09 -0.23 -0.07 0.00 -0.81 0.00 0.00 59.98 58.96 2o6g h ARG 81 Cb 0.74 -0.13 -0.02 0.00 -0.42 0.00 0.00 29.97 30.14 2o6g h ARG 81 CO 0.06 0.88 0.10 1.03 -1.51 0.00 0.00 179.97 180.52 2o6g h SER 82 N 0.87 0.94 -0.68 -3.80 0.87 -1.51 -3.08 113.55 107.16 2o6g h SER 82 Ca 0.19 -0.26 -0.04 0.00 -1.23 0.00 0.00 61.79 60.45 2o6g h SER 82 Cb 0.35 -0.25 -0.03 0.00 -0.44 0.00 0.00 62.40 62.03 2o6g h SER 82 CO 0.00 0.96 0.28 0.00 -0.53 0.00 0.00 176.83 177.54 2o6g h ALA 83 N 1.02 0.89 -0.25 6.23 0.00 -1.55 -2.76 119.26 122.83 2o6g h ALA 83 Ca 0.18 -0.17 -0.09 0.00 0.00 0.00 0.00 54.91 54.83 2o6g h ALA 83 Cb 0.42 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.93 2o6g h ALA 83 CO 0.01 0.50 -0.23 -0.07 0.00 0.00 0.00 179.25 179.46 2o6g h LEU 84 N 0.97 0.46 -1.23 0.00 3.38 -1.59 -3.17 115.31 114.13 2o6g h LEU 84 Ca 0.23 -0.15 -0.01 0.00 0.09 0.00 0.00 57.88 58.04 2o6g h LEU 84 Cb 0.20 -0.12 -0.03 0.00 0.09 0.00 0.00 40.66 40.79 2o6g h LEU 84 CO -0.02 0.70 0.35 -1.13 0.09 0.00 0.00 178.44 178.42 2o6g h ASN 85 N 0.41 0.78 1.77 -0.43 -0.73 -1.40 -3.09 115.58 112.90 2o6g h ASN 85 Ca 0.06 -0.06 0.00 0.00 1.87 0.00 0.00 56.30 58.18 2o6g h ASN 85 Cb 0.63 -0.20 0.00 0.00 0.27 0.00 0.00 38.32 39.02 2o6g h ASN 85 CO 0.05 0.63 -0.01 0.03 -0.37 0.00 0.00 177.43 177.76 2o6g h ARG 86 N 0.89 0.00 -6.26 6.67 2.47 -1.52 -3.46 114.38 113.17 2o6g h ARG 86 Ca 0.23 0.00 -0.55 0.00 -1.26 0.00 0.00 59.98 58.39 2o6g h ARG 86 Cb 0.02 0.00 -0.01 0.00 -1.65 0.00 0.00 29.97 28.34 2o6g h ARG 86 CO -0.04 0.00 1.17 0.15 0.56 0.00 0.00 179.97 181.81 2o6g s LYS 87 N -3.16 3.96 0.10 0.04 -0.14 -1.17 -4.92 119.74 114.45 2o6g s LYS 87 Ca 0.08 2.12 -0.28 0.00 -1.36 0.00 0.00 55.97 56.54 2o6g s LYS 87 Cb 0.08 -4.08 -0.10 0.00 -1.68 0.00 0.00 37.83 32.05 2o6g s LYS 87 CO 0.64 -1.12 1.64 1.05 -0.76 0.00 0.00 175.35 176.80 2o6g h GLU 88 N 10.65 -0.50 -2.03 1.68 4.11 -1.91 -2.94 114.58 123.64 2o6g h GLU 88 Ca -0.40 0.03 -0.46 0.00 0.07 0.00 0.00 59.36 58.60 2o6g h GLU 88 Cb 1.19 0.11 -0.16 0.00 0.50 0.00 0.00 28.75 30.40 2o6g h GLU 88 CO 0.96 -0.33 0.36 0.41 0.07 0.00 0.00 179.01 180.49 2o6g n GLY 89 N -1.38 4.15 3.15 1.06 0.00 -1.26 -4.71 105.19 106.19 2o6g n GLY 89 Ca -0.08 -1.78 0.04 0.00 0.00 0.00 0.00 46.02 44.21 2o6g n GLY 89 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2o6g s LEU 90 N -1.80 -1.31 0.15 0.99 2.96 -1.11 -4.20 118.68 114.36 2o6g s LEU 90 Ca 0.60 0.78 0.10 0.00 -0.22 0.00 0.00 54.13 55.39 2o6g s LEU 90 Cb 0.36 2.08 -0.04 0.00 0.50 0.00 0.00 46.19 49.10 2o6g s LEU 90 CO -0.18 -0.24 -0.24 0.00 -1.32 0.00 0.00 176.35 174.37 2o6g s ARG 91 N 2.87 1.36 -0.41 1.98 1.70 -1.23 -4.70 118.95 120.52 2o6g s ARG 91 Ca 0.18 -1.37 -0.25 0.00 -0.47 0.00 0.00 55.73 53.82 2o6g s ARG 91 Cb -0.14 -1.71 0.02 0.00 -0.57 0.00 0.00 34.95 32.54 2o6g s ARG 91 CO -0.20 0.39 0.91 -1.17 -1.08 0.00 0.00 175.30 174.15 2o6g s LEU 92 N -2.28 4.01 0.00 -1.89 2.96 -1.26 -0.43 118.68 119.79 2o6g s LEU 92 Ca 0.15 0.36 0.00 0.00 -0.22 0.00 0.00 54.13 54.42 2o6g s LEU 92 Cb -0.09 -3.21 0.00 0.00 0.50 0.00 0.00 46.19 43.39 2o6g s LEU 92 CO 0.07 -0.93 0.29 0.00 -1.32 0.00 0.00 176.35 174.46 2o6g n ALA 93 N 6.90 0.00 -2.44 5.97 0.00 0.53 -4.93 120.51 126.55 2o6g n ALA 93 Ca 0.06 0.00 -0.24 0.00 0.00 0.00 0.00 53.44 53.26 2o6g n ALA 93 Cb 0.48 0.00 -0.11 0.00 0.00 0.00 0.00 19.45 19.82 2o6g n ALA 93 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 2o6g s GLU 94 N -0.57 1.50 -0.95 0.00 8.01 -1.02 -5.02 118.70 120.64 2o6g s GLU 94 Ca 0.00 -1.58 -0.01 0.00 0.01 0.00 0.00 54.97 53.39 2o6g s GLU 94 Cb 0.00 -1.67 0.29 0.00 -4.31 0.00 0.00 34.13 28.43 2o6g s GLU 94 CO 0.00 0.34 1.23 -3.47 0.01 0.00 0.00 175.26 173.37 2o6g n ASP 95 N -0.03 5.56 -0.57 -0.19 -0.08 -1.26 -2.25 116.55 117.72 2o6g n ASP 95 Ca -0.10 -3.39 0.00 0.00 -1.51 0.00 0.00 54.79 49.79 2o6g n ASP 95 Cb 0.58 -1.10 0.00 0.00 2.34 0.00 0.00 41.12 42.93 2o6g n ASP 95 CO 0.00 0.00 0.00 0.54 0.12 0.00 0.00 177.20 177.86 2o6g n ARG 96 N 1.30 0.72 0.03 -0.67 1.74 -1.22 -3.27 116.66 115.28 2o6g n ARG 96 Ca 0.27 0.00 0.11 0.00 -0.77 0.00 0.00 57.85 57.46 2o6g n ARG 96 Cb 0.36 -1.33 0.48 0.00 -1.02 0.00 0.00 32.46 30.95 2o6g n ARG 96 CO 0.00 0.00 0.00 0.45 -1.52 0.00 0.00 177.63 176.56 2o6g n SER 97 N 0.21 0.18 -1.46 0.55 2.88 0.85 -2.53 113.62 114.30 2o6g n SER 97 Ca 0.00 0.53 -0.05 0.00 -1.33 0.00 0.00 58.87 58.02 2o6g n SER 97 Cb 0.20 -0.57 0.02 0.00 -0.75 0.00 0.00 64.21 63.11 2o6g n SER 97 CO 0.00 0.00 0.00 0.29 -1.23 0.00 0.00 175.04 174.10 2o6g n LYS 98 N -1.68 1.25 -4.83 -1.46 4.76 -1.20 -4.64 118.16 110.35 2o6g n LYS 98 Ca 0.05 -0.52 -0.26 0.00 -2.87 0.00 0.00 58.31 54.72 2o6g n LYS 98 Cb 0.29 -1.20 -0.16 0.00 -1.84 0.00 0.00 35.03 32.12 2o6g n LYS 98 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 2o6g s ASP 99 N 1.07 2.11 0.00 4.39 1.01 -1.22 -5.09 116.67 118.94 2o6g s ASP 99 Ca 0.10 -0.34 0.00 0.00 0.71 0.00 0.00 52.55 53.02 2o6g s ASP 99 Cb 0.08 -0.44 0.00 0.00 1.01 0.00 0.00 42.92 43.57 2o6g s ASP 99 CO 0.01 0.18 0.00 -2.65 0.21 0.00 0.00 175.17 172.91 2o6g n PRO 100 N 2.94 0.00 -0.03 8.23 -0.02 -1.26 -3.52 135.00 141.34 2o6g n PRO 100 Ca -0.17 0.00 0.05 0.00 -2.02 0.00 0.00 63.50 61.37 2o6g n PRO 100 Cb 0.53 -0.17 0.43 0.00 -0.02 0.00 0.00 33.50 34.27 2o6g n PRO 100 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 2o6g h HIS 101 N 0.00 0.53 -3.16 6.00 3.86 -2.00 -3.32 115.15 117.06 2o6g h HIS 101 Ca 0.00 0.01 -0.71 0.00 -1.16 0.00 0.00 60.37 58.51 2o6g h HIS 101 Cb 0.00 -0.18 -0.35 0.00 1.06 0.00 0.00 27.41 27.94 2o6g h HIS 101 CO 0.00 0.32 -0.02 -0.25 0.86 0.00 0.00 177.93 178.84 2o6g n ASP 102 N -4.47 4.47 -4.84 2.45 9.92 -1.26 -5.07 116.55 117.75 2o6g n ASP 102 Ca 0.05 -3.19 -0.38 0.00 -0.53 0.00 0.00 54.79 50.74 2o6g n ASP 102 Cb 0.12 -1.05 -0.06 0.00 -0.64 0.00 0.00 41.12 39.49 2o6g n ASP 102 CO 0.00 0.00 0.00 -2.16 0.13 0.00 0.00 177.20 175.17 2o6g s PRO 103 N -1.66 3.86 0.00 -0.24 0.04 -1.23 -4.43 135.00 131.33 2o6g s PRO 103 Ca 0.30 0.34 0.00 0.00 0.04 0.00 0.00 61.00 61.68 2o6g s PRO 103 Cb -0.03 -3.21 0.00 0.00 0.04 0.00 0.00 34.50 31.30 2o6g s PRO 103 CO -0.09 0.70 0.00 -2.39 0.04 0.00 0.00 177.00 175.26 2o6g n HIS 104 N 1.81 0.00 -3.59 0.56 1.44 -1.03 -4.25 115.22 110.15 2o6g n HIS 104 Ca -0.14 0.00 -0.16 0.00 -2.01 0.00 0.00 57.72 55.41 2o6g n HIS 104 Cb 0.53 0.00 -0.07 0.00 0.12 0.00 0.00 29.99 30.57 2o6g n HIS 104 CO 0.00 0.00 0.00 0.15 -2.81 0.00 0.00 176.34 173.68 2o6g s LYS 105 N 1.12 0.91 -0.28 -1.40 1.02 -0.98 -0.11 119.74 120.02 2o6g s LYS 105 Ca 0.00 0.46 0.02 0.00 0.02 0.00 0.00 55.97 56.48 2o6g s LYS 105 Cb 0.00 0.43 0.06 0.00 -0.52 0.00 0.00 37.83 37.81 2o6g s LYS 105 CO 0.00 -0.22 -0.07 0.42 -0.92 0.00 0.00 175.35 174.55 2o6g s ILE 106 N -0.62 2.30 0.45 2.17 1.01 -0.96 -2.04 121.20 123.52 2o6g s ILE 106 Ca -0.07 -1.69 0.04 0.00 0.00 0.00 0.00 60.65 58.93 2o6g s ILE 106 Cb -0.02 -2.40 0.01 0.00 0.01 0.00 0.00 42.46 40.06 2o6g s ILE 106 CO 0.06 -0.11 0.64 -0.31 0.00 0.00 0.00 174.94 175.22 2o6g s TYR 107 N 1.10 2.97 0.10 3.97 1.51 -1.24 -0.34 117.35 125.41 2o6g s TYR 107 Ca -0.06 -0.11 0.10 0.00 -1.01 0.00 0.00 57.07 55.99 2o6g s TYR 107 Cb -0.20 -2.42 -0.04 0.00 -0.11 0.00 0.00 41.96 39.19 2o6g s TYR 107 CO -0.05 -0.49 -0.27 -2.00 -1.11 0.00 0.00 175.55 171.64 2o6g s GLU 108 N -4.50 1.56 -0.39 -0.62 2.56 0.42 -3.62 118.70 114.11 2o6g s GLU 108 Ca 0.53 -1.25 0.06 0.00 0.00 0.00 0.00 54.97 54.30 2o6g s GLU 108 Cb -0.10 -1.92 0.69 0.00 2.00 0.00 0.00 34.13 34.79 2o6g s GLU 108 CO 0.35 0.47 1.86 0.34 -0.56 0.00 0.00 175.26 177.73 2o6g n PHE 109 N 1.26 2.80 -0.48 5.30 -0.00 -0.81 -3.58 117.46 121.94 2o6g n PHE 109 Ca -0.18 -1.58 -0.29 0.00 -0.00 0.00 0.00 57.45 55.41 2o6g n PHE 109 Cb 0.53 -0.84 0.27 0.00 -0.00 0.00 0.00 39.48 39.43 2o6g n PHE 109 CO 0.00 0.00 0.00 0.14 -0.00 0.00 0.00 176.76 176.90 2o6g s VAL 110 N -3.11 1.76 -0.13 -2.13 -7.23 -1.26 -4.93 120.40 103.36 2o6g s VAL 110 Ca 0.55 0.00 -0.31 0.00 -1.81 0.00 0.00 61.98 60.41 2o6g s VAL 110 Cb 0.46 -2.06 0.13 0.00 0.56 0.00 0.00 36.38 35.46 2o6g s VAL 110 CO 0.12 0.00 1.05 0.21 -0.31 0.00 0.00 175.10 176.17 2o6g s ASN 111 N -2.69 -0.28 0.00 4.85 2.47 -1.26 -3.88 114.94 114.15 2o6g s ASN 111 Ca 0.69 0.13 0.00 0.00 0.42 0.00 0.00 52.86 54.10 2o6g s ASN 111 Cb -0.22 0.26 0.00 0.00 -1.45 0.00 0.00 41.25 39.85 2o6g s ASN 111 CO 0.63 -0.37 0.00 -0.24 -3.72 0.00 0.00 177.10 173.40