#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1t2k n LYS 5 N 0.00 -0.33 -1.24 -0.52 4.81 -1.26 -5.04 118.16 114.57 1t2k n LYS 5 Ca 0.00 0.72 -0.35 0.00 -0.87 0.00 0.00 58.31 57.82 1t2k n LYS 5 Cb 0.00 -1.94 0.10 0.00 0.02 0.00 0.00 35.03 33.22 1t2k n LYS 5 CO 0.00 0.00 0.00 -2.30 1.17 0.00 0.00 177.40 176.27 1t2k n PRO 6 N -0.36 0.37 -4.24 1.64 -0.02 -1.26 -5.05 135.00 126.07 1t2k n PRO 6 Ca 0.01 0.19 -0.35 0.00 -2.02 0.00 0.00 63.50 61.33 1t2k n PRO 6 Cb 0.05 -2.31 -0.08 0.00 -0.02 0.00 0.00 33.50 31.13 1t2k n PRO 6 CO 0.00 0.00 0.00 -0.98 1.98 0.00 0.00 175.50 176.50 1t2k s ARG 7 N -3.67 3.10 0.18 -0.52 3.03 -1.26 -5.03 118.95 114.78 1t2k s ARG 7 Ca 0.73 -0.34 -0.11 0.00 2.03 0.00 0.00 55.73 58.04 1t2k s ARG 7 Cb -0.32 -2.90 0.09 0.00 -1.03 0.00 0.00 34.95 30.80 1t2k s ARG 7 CO 0.51 0.72 1.75 0.97 -1.13 0.00 0.00 175.30 178.12 1t2k h ILE 8 N 4.08 1.23 -0.42 4.99 -0.00 -1.99 -3.05 117.51 122.34 1t2k h ILE 8 Ca -0.52 -0.68 -0.11 0.00 -0.00 0.00 0.00 64.86 63.55 1t2k h ILE 8 Cb 1.20 0.50 -0.01 0.00 -0.00 0.00 0.00 36.82 38.51 1t2k h ILE 8 CO 0.55 0.27 -0.16 -0.07 -0.00 0.00 0.00 178.15 178.75 1t2k h LEU 9 N 0.88 0.87 -0.39 2.19 3.38 -1.99 -1.10 115.31 119.16 1t2k h LEU 9 Ca 0.21 -0.39 -0.11 0.00 0.09 0.00 0.00 57.88 57.68 1t2k h LEU 9 Cb 0.17 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.67 1t2k h LEU 9 CO -0.02 1.06 -0.20 -0.65 0.09 0.00 0.00 178.44 178.72 1t2k h PRO 10 N 0.68 0.82 -0.59 1.13 0.11 -2.00 -2.12 132.00 130.02 1t2k h PRO 10 Ca 0.10 -0.36 -0.03 0.00 0.11 0.00 0.00 66.00 65.82 1t2k h PRO 10 Cb 0.72 -0.02 -0.03 0.00 0.11 0.00 0.00 31.00 31.78 1t2k h PRO 10 CO 0.05 1.00 0.27 2.35 -0.21 0.00 0.00 178.00 181.46 1t2k h TRP 11 N 0.62 0.87 -0.52 0.65 7.01 -1.52 -1.16 115.95 121.90 1t2k h TRP 11 Ca 0.09 -0.05 -0.07 0.00 2.11 0.00 0.00 58.89 60.96 1t2k h TRP 11 Cb 0.76 -0.27 -0.02 0.00 -2.10 0.00 0.00 29.16 27.53 1t2k h TRP 11 CO 0.06 0.67 0.03 1.25 -2.79 0.00 0.00 178.44 177.66 1t2k h LEU 12 N 0.81 0.83 -0.60 0.65 7.12 -1.16 -2.30 115.31 120.65 1t2k h LEU 12 Ca 0.20 -0.20 -0.09 0.00 0.13 0.00 0.00 57.88 57.92 1t2k h LEU 12 Cb 0.14 -0.22 -0.02 0.00 -0.53 0.00 0.00 40.66 40.03 1t2k h LEU 12 CO -0.02 0.87 0.01 0.58 -0.13 0.00 0.00 178.44 179.75 1t2k h VAL 13 N 0.81 1.27 -0.48 1.05 2.07 -0.68 -2.15 116.25 118.13 1t2k h VAL 13 Ca 0.16 -1.13 -0.09 0.00 0.82 0.00 0.00 66.70 66.46 1t2k h VAL 13 Cb 0.44 0.80 -0.02 0.00 -1.52 0.00 0.00 31.29 31.00 1t2k h VAL 13 CO 0.02 0.41 -0.05 0.77 0.02 0.00 0.00 177.57 178.74 1t2k h SER 14 N 0.95 0.81 -0.14 0.57 4.64 -0.97 0.15 113.55 119.55 1t2k h SER 14 Ca 0.17 -0.22 -0.02 0.00 -0.47 0.00 0.00 61.79 61.25 1t2k h SER 14 Cb 0.54 -0.22 -0.01 0.00 -0.31 0.00 0.00 62.40 62.40 1t2k h SER 14 CO 0.03 0.90 0.04 1.56 -0.87 0.00 0.00 176.83 178.48 1t2k h GLN 15 N 0.76 0.30 0.00 4.77 1.08 -1.21 0.23 115.11 121.05 1t2k h GLN 15 Ca 0.14 -0.04 -0.00 0.00 -1.45 0.00 0.00 58.65 57.30 1t2k h GLN 15 Cb 0.53 -0.06 0.00 0.00 -0.05 0.00 0.00 27.48 27.90 1t2k h GLN 15 CO 0.03 0.30 -0.00 -0.07 -0.95 0.00 0.00 178.83 178.13 1t2k h LEU 16 N 0.30 -0.00 -0.30 1.46 3.38 -0.56 -0.80 115.31 118.79 1t2k h LEU 16 Ca 0.07 -0.75 0.04 0.00 0.09 0.00 0.00 57.88 57.34 1t2k h LEU 16 Cb 0.15 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 40.86 1t2k h LEU 16 CO -0.00 0.75 0.06 0.44 0.09 0.00 0.00 178.44 179.78 1t2k h ASP 17 N -0.77 0.00 0.19 -0.43 3.32 -0.27 -1.57 116.42 116.90 1t2k h ASP 17 Ca -0.00 0.05 -0.04 0.00 0.02 0.00 0.00 57.03 57.06 1t2k h ASP 17 Cb 0.75 0.07 -0.01 0.00 0.22 0.00 0.00 39.33 40.36 1t2k h ASP 17 CO 0.00 0.04 -0.20 -0.07 -1.72 0.00 0.00 179.24 177.29 1t2k h LEU 18 N 0.16 0.01 -0.41 1.55 3.38 -1.04 -3.46 115.31 115.51 1t2k h LEU 18 Ca 0.14 -0.00 -0.46 0.00 0.09 0.00 0.00 57.88 57.64 1t2k h LEU 18 Cb 0.15 -0.00 -0.11 0.00 0.09 0.00 0.00 40.66 40.78 1t2k h LEU 18 CO -0.19 0.22 -0.70 0.61 0.09 0.00 0.00 178.44 178.47 1t2k n GLY 19 N -0.94 -0.48 0.38 0.83 0.00 -0.31 -4.84 105.19 99.84 1t2k n GLY 19 Ca -0.02 0.13 0.03 0.00 0.00 0.00 0.00 46.02 46.16 1t2k n GLY 19 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 1t2k n GLN 20 N -4.21 1.47 -3.63 1.61 -0.06 -1.25 -4.70 117.38 106.60 1t2k n GLN 20 Ca 0.03 -0.68 -0.27 0.00 -2.00 0.00 0.00 57.00 54.08 1t2k n GLN 20 Cb 0.52 -1.18 -0.16 0.00 -4.06 0.00 0.00 30.24 25.35 1t2k n GLN 20 CO 0.00 0.00 0.00 -0.51 -0.20 0.00 0.00 177.06 176.35 1t2k s LEU 21 N -0.98 0.69 0.14 1.69 1.02 -1.26 -5.13 118.68 114.84 1t2k s LEU 21 Ca 0.13 -0.85 -0.33 0.00 0.02 0.00 0.00 54.13 53.09 1t2k s LEU 21 Cb 0.07 -0.38 -0.17 0.00 0.02 0.00 0.00 46.19 45.72 1t2k s LEU 21 CO 0.08 -0.36 0.94 -0.62 0.02 0.00 0.00 176.35 176.41 1t2k n GLU 22 N 5.19 0.49 0.00 1.70 1.02 -1.26 -1.65 120.64 126.14 1t2k n GLU 22 Ca -0.07 0.17 0.00 0.00 -0.02 0.00 0.00 57.16 57.24 1t2k n GLU 22 Cb 0.47 -1.52 0.00 0.00 -0.02 0.00 0.00 31.44 30.37 1t2k n GLU 22 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1t2k n GLY 23 N 1.83 2.64 3.33 0.62 0.00 -1.26 -4.86 105.19 107.50 1t2k n GLY 23 Ca 0.17 0.00 -0.47 0.00 0.00 0.00 0.00 46.02 45.72 1t2k n GLY 23 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1t2k s VAL 24 N -2.14 5.52 0.27 1.61 1.01 -0.66 -4.17 120.40 121.84 1t2k s VAL 24 Ca 0.00 -2.30 -0.09 0.00 0.00 0.00 0.00 61.98 59.60 1t2k s VAL 24 Cb 0.00 -4.47 0.03 0.00 0.00 0.00 0.00 36.38 31.95 1t2k s VAL 24 CO 0.00 -1.03 0.52 0.00 0.00 0.00 0.00 175.10 174.58 1t2k n ALA 25 N 4.27 -1.06 -1.70 5.51 0.00 -1.20 -4.70 120.51 121.62 1t2k n ALA 25 Ca 0.11 -0.94 -0.32 0.00 0.00 0.00 0.00 53.44 52.29 1t2k n ALA 25 Cb 0.46 0.75 0.00 0.00 0.00 0.00 0.00 19.45 20.66 1t2k n ALA 25 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.50 175.92 1t2k s TRP 26 N -4.09 3.13 -0.01 0.00 0.52 -1.26 -1.09 118.94 116.14 1t2k s TRP 26 Ca 0.13 1.48 0.01 0.00 0.02 0.00 0.00 56.10 57.74 1t2k s TRP 26 Cb -0.03 -2.93 0.01 0.00 -1.15 0.00 0.00 33.47 29.37 1t2k s TRP 26 CO 0.10 -0.94 0.81 0.28 0.02 0.00 0.00 176.95 177.22 1t2k n VAL 27 N -2.07 0.62 -3.46 4.03 0.31 0.65 -4.83 118.33 113.58 1t2k n VAL 27 Ca 0.08 -0.64 -0.21 0.00 -0.01 0.00 0.00 64.34 63.56 1t2k n VAL 27 Cb 0.53 0.66 -0.12 0.00 -0.91 0.00 0.00 33.84 34.00 1t2k n VAL 27 CO 0.00 0.00 0.00 0.21 -1.32 0.00 0.00 176.83 175.72 1t2k s ASN 28 N -0.70 2.31 0.00 4.52 3.84 -1.17 -4.95 114.94 118.79 1t2k s ASN 28 Ca 0.01 -0.90 0.00 0.00 0.21 0.00 0.00 52.86 52.18 1t2k s ASN 28 Cb 0.01 0.19 0.00 0.00 -0.55 0.00 0.00 41.25 40.90 1t2k s ASN 28 CO 0.00 -0.40 0.00 2.29 -2.79 0.00 0.00 177.10 176.20 1t2k n LYS 29 N 5.29 0.00 -0.03 0.43 0.00 -1.26 0.15 118.16 122.74 1t2k n LYS 29 Ca -0.04 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.27 1t2k n LYS 29 Cb 0.45 0.00 0.00 0.00 -0.00 0.00 0.00 35.03 35.48 1t2k n LYS 29 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.40 176.27 1t2k n SER 30 N -3.09 1.74 -3.65 -5.58 3.41 -1.26 -4.77 113.62 100.42 1t2k n SER 30 Ca 0.00 -1.15 -0.17 0.00 -0.26 0.00 0.00 58.87 57.29 1t2k n SER 30 Cb 0.00 -0.30 -0.01 0.00 -0.26 0.00 0.00 64.21 63.63 1t2k n SER 30 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 1t2k n ARG 31 N 0.84 -0.80 -0.00 4.33 5.12 0.39 -4.78 116.66 121.75 1t2k n ARG 31 Ca 0.00 -0.16 0.04 0.00 -1.93 0.00 0.00 57.85 55.79 1t2k n ARG 31 Cb 0.27 -0.86 -0.06 0.00 -1.16 0.00 0.00 32.46 30.65 1t2k n ARG 31 CO 0.00 0.00 0.00 -2.37 -1.93 0.00 0.00 177.63 173.33 1t2k n THR 32 N -2.62 0.00 -3.84 0.55 5.66 -1.23 -4.98 114.28 107.82 1t2k n THR 32 Ca -0.08 -0.17 -0.20 0.00 -3.05 0.00 0.00 64.05 60.54 1t2k n THR 32 Cb 0.26 0.34 -0.17 0.00 -1.55 0.00 0.00 70.33 69.21 1t2k n THR 32 CO 0.00 0.00 0.00 -0.13 -3.05 0.00 0.00 175.07 171.89 1t2k s ARG 33 N -2.51 0.41 0.34 1.09 0.52 -1.26 -1.38 118.95 116.16 1t2k s ARG 33 Ca -0.03 0.13 0.06 0.00 -0.52 0.00 0.00 55.73 55.37 1t2k s ARG 33 Cb 0.05 -0.72 -0.07 0.00 0.52 0.00 0.00 34.95 34.73 1t2k s ARG 33 CO 0.31 -0.23 -0.01 -0.59 0.02 0.00 0.00 175.30 174.80 1t2k s PHE 34 N 1.61 2.19 0.03 -0.53 -0.12 -0.53 -0.26 117.98 120.38 1t2k s PHE 34 Ca -0.01 -0.75 0.05 0.00 -0.05 0.00 0.00 56.93 56.17 1t2k s PHE 34 Cb -0.13 -1.41 -0.02 0.00 -0.63 0.00 0.00 43.02 40.84 1t2k s PHE 34 CO -0.03 0.29 -0.14 -0.98 -0.05 0.00 0.00 175.22 174.31 1t2k s ARG 35 N -3.76 0.95 -0.05 1.99 1.70 -0.25 -1.14 118.95 118.39 1t2k s ARG 35 Ca 0.34 -0.69 0.03 0.00 -0.47 0.00 0.00 55.73 54.94 1t2k s ARG 35 Cb 0.07 -0.95 0.01 0.00 -0.57 0.00 0.00 34.95 33.51 1t2k s ARG 35 CO 0.15 0.24 -0.12 0.42 -1.08 0.00 0.00 175.30 174.91 1t2k s ILE 36 N -0.73 1.10 0.10 4.99 -1.09 -0.02 -3.24 121.20 122.31 1t2k s ILE 36 Ca 0.02 -0.49 -0.31 0.00 -2.23 0.00 0.00 60.65 57.64 1t2k s ILE 36 Cb -0.07 -0.98 -0.09 0.00 -1.58 0.00 0.00 42.46 39.73 1t2k s ILE 36 CO 0.01 0.34 1.75 -2.84 -1.23 0.00 0.00 174.94 172.97 1t2k s PRO 37 N 0.41 4.16 -0.35 2.79 0.02 -1.26 -1.11 135.00 139.66 1t2k s PRO 37 Ca -0.09 2.48 0.13 0.00 0.02 0.00 0.00 61.00 63.54 1t2k s PRO 37 Cb -0.13 -3.59 0.45 0.00 0.02 0.00 0.00 34.50 31.25 1t2k s PRO 37 CO 0.02 -0.80 1.05 1.87 -0.33 0.00 0.00 177.00 178.82 1t2k n TRP 38 N 5.63 2.10 -2.17 6.54 -0.00 0.16 -4.84 117.44 124.87 1t2k n TRP 38 Ca 0.17 -2.75 -0.41 0.00 -0.00 0.00 0.00 57.50 54.51 1t2k n TRP 38 Cb 0.39 -0.25 -0.02 0.00 -0.00 0.00 0.00 31.31 31.42 1t2k n TRP 38 CO 0.00 0.00 0.00 0.21 -0.00 0.00 0.00 177.69 177.90 1t2k s LYS 39 N -3.41 4.39 0.08 5.87 2.20 -1.25 -4.54 119.74 123.08 1t2k s LYS 39 Ca 0.37 2.15 -0.31 0.00 -0.36 0.00 0.00 55.97 57.82 1t2k s LYS 39 Cb 0.42 -3.10 -0.07 0.00 -1.51 0.00 0.00 37.83 33.57 1t2k s LYS 39 CO -0.05 -0.15 1.45 -1.58 -0.36 0.00 0.00 175.35 174.66 1t2k s HIS 40 N -1.01 2.98 -0.20 4.03 5.65 -1.26 -4.87 115.29 120.60 1t2k s HIS 40 Ca 0.49 0.79 0.00 0.00 0.25 0.00 0.00 55.06 56.59 1t2k s HIS 40 Cb -0.39 -3.74 0.00 0.00 -1.18 0.00 0.00 32.58 27.28 1t2k s HIS 40 CO 0.50 -2.71 0.22 0.41 -0.65 0.00 0.00 174.74 172.51 1t2k n GLY 41 N 3.64 0.47 0.00 1.59 0.00 -1.26 -2.48 105.19 107.15 1t2k n GLY 41 Ca 0.13 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.15 1t2k n GLY 41 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1t2k n LEU 42 N 0.78 0.00 -4.69 0.99 4.77 -1.26 -4.98 117.00 112.60 1t2k n LEU 42 Ca 0.00 -0.36 -0.42 0.00 -0.03 0.00 0.00 56.01 55.20 1t2k n LEU 42 Cb 0.11 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.17 1t2k n LEU 42 CO 0.00 0.00 1.05 -0.13 -1.33 0.00 0.00 177.39 176.98 1t2k s ARG 43 N -0.86 4.32 0.59 3.23 0.52 -1.03 -4.85 118.95 120.86 1t2k s ARG 43 Ca 0.00 1.88 0.29 0.00 -0.52 0.00 0.00 55.73 57.38 1t2k s ARG 43 Cb 0.00 -3.52 1.68 0.00 0.52 0.00 0.00 34.95 33.63 1t2k s ARG 43 CO 0.00 -0.50 2.13 1.96 0.02 0.00 0.00 175.30 178.91 1t2k h GLN 44 N 7.55 0.00 -2.78 3.54 4.20 -1.94 -2.51 115.11 123.18 1t2k h GLN 44 Ca -0.38 0.00 -0.63 0.00 0.06 0.00 0.00 58.65 57.70 1t2k h GLN 44 Cb 1.18 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 28.94 1t2k h GLN 44 CO 0.88 0.00 2.98 -0.40 -0.67 0.00 0.00 178.83 181.63 1t2k n ASP 45 N -3.82 8.18 -3.66 1.46 5.75 -1.26 -4.71 116.55 118.48 1t2k n ASP 45 Ca 0.01 -2.71 -0.06 0.00 -0.01 0.00 0.00 54.79 52.01 1t2k n ASP 45 Cb 0.28 -1.49 -0.08 0.00 -1.03 0.00 0.00 41.12 38.80 1t2k n ASP 45 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1t2k s ALA 46 N 1.16 -1.54 0.03 2.12 0.00 -0.95 -5.09 121.76 117.50 1t2k s ALA 46 Ca 0.66 1.94 -0.07 0.00 0.00 0.00 0.00 51.96 54.49 1t2k s ALA 46 Cb 0.20 -1.41 -0.01 0.00 0.00 0.00 0.00 23.12 21.91 1t2k s ALA 46 CO -0.07 -0.65 0.13 -0.65 0.00 0.00 0.00 175.76 174.52 1t2k s GLN 47 N 2.30 0.60 0.00 0.00 -0.21 -1.26 -4.97 119.66 116.12 1t2k s GLN 47 Ca -0.06 -0.66 0.00 0.00 0.02 0.00 0.00 55.36 54.66 1t2k s GLN 47 Cb -0.10 0.24 0.00 0.00 1.00 0.00 0.00 33.01 34.15 1t2k s GLN 47 CO -0.16 -0.16 0.00 1.04 -2.12 0.00 0.00 175.29 173.89 1t2k n GLN 48 N 0.86 0.00 0.06 2.91 6.02 -1.26 -3.27 117.38 122.70 1t2k n GLN 48 Ca -0.20 0.00 0.09 0.00 -0.01 0.00 0.00 57.00 56.89 1t2k n GLN 48 Cb 0.58 -0.25 -0.05 0.00 1.02 0.00 0.00 30.24 31.54 1t2k n GLN 48 CO 0.00 0.00 0.00 0.39 -1.01 0.00 0.00 177.06 176.44 1t2k n GLU 49 N 0.00 0.62 -0.17 -1.09 1.02 -1.26 -3.56 120.64 116.21 1t2k n GLU 49 Ca 0.00 0.07 0.11 0.00 -0.02 0.00 0.00 57.16 57.31 1t2k n GLU 49 Cb 0.00 -1.75 0.27 0.00 -0.02 0.00 0.00 31.44 29.94 1t2k n GLU 49 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 1t2k n ASP 50 N -2.62 2.72 -0.69 1.62 9.92 -1.20 -3.82 116.55 122.47 1t2k n ASP 50 Ca -0.03 -1.90 0.05 0.00 -0.53 0.00 0.00 54.79 52.38 1t2k n ASP 50 Cb 0.61 -0.22 0.09 0.00 -0.64 0.00 0.00 41.12 40.97 1t2k n ASP 50 CO 0.00 0.00 0.00 0.49 0.13 0.00 0.00 177.20 177.82 1t2k n PHE 51 N 1.01 0.00 -0.11 1.24 3.01 -1.24 -4.48 117.46 116.89 1t2k n PHE 51 Ca 0.18 -0.75 -0.11 0.00 1.01 0.00 0.00 57.45 57.77 1t2k n PHE 51 Cb 0.48 -0.15 -0.03 0.00 -0.01 0.00 0.00 39.48 39.77 1t2k n PHE 51 CO 0.00 0.00 0.00 0.78 1.01 0.00 0.00 176.76 178.55 1t2k h GLY 52 N 0.52 0.64 1.11 1.37 0.00 -1.66 -1.93 103.07 103.12 1t2k h GLY 52 Ca -0.06 -0.52 -0.12 0.00 0.00 0.00 0.00 47.33 46.63 1t2k h GLY 52 CO 0.03 0.47 -0.15 -2.22 0.00 0.00 0.00 176.54 174.68 1t2k h ILE 53 N 0.36 1.27 -0.60 2.60 5.03 -1.91 0.80 117.51 125.06 1t2k h ILE 53 Ca 0.08 -1.31 -0.02 0.00 -0.12 0.00 0.00 64.86 63.49 1t2k h ILE 53 Cb 0.55 1.01 -0.03 0.00 -3.03 0.00 0.00 36.82 35.32 1t2k h ILE 53 CO 0.03 0.46 0.28 -0.26 -0.68 0.00 0.00 178.15 177.98 1t2k h PHE 54 N 0.91 0.84 -0.36 1.37 0.04 -1.85 -0.05 116.94 117.85 1t2k h PHE 54 Ca 0.13 -0.03 -0.13 0.00 2.80 0.00 0.00 57.97 60.74 1t2k h PHE 54 Cb 0.72 -0.27 -0.01 0.00 2.20 0.00 0.00 35.95 38.60 1t2k h PHE 54 CO 0.05 0.63 -0.27 0.37 -0.60 0.00 0.00 178.31 178.48 1t2k h GLN 55 N 0.85 0.82 -0.56 1.51 4.15 -0.43 -2.79 115.11 118.66 1t2k h GLN 55 Ca 0.21 -0.40 -0.02 0.00 0.77 0.00 0.00 58.65 59.20 1t2k h GLN 55 Cb 0.11 -0.00 -0.03 0.00 0.21 0.00 0.00 27.48 27.77 1t2k h GLN 55 CO -0.03 1.04 0.25 0.00 -1.93 0.00 0.00 178.83 178.16 1t2k h ALA 56 N 0.77 0.72 -0.39 3.38 0.00 0.18 -2.09 119.26 121.83 1t2k h ALA 56 Ca 0.07 -0.14 -0.05 0.00 0.00 0.00 0.00 54.91 54.79 1t2k h ALA 56 Cb 0.84 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 18.40 1t2k h ALA 56 CO 0.07 0.30 0.03 2.35 0.00 0.00 0.00 179.25 182.01 1t2k h TRP 57 N 0.76 0.62 -0.41 0.00 2.91 -1.11 0.15 115.95 118.88 1t2k h TRP 57 Ca 0.19 -0.06 -0.05 0.00 1.13 0.00 0.00 58.89 60.10 1t2k h TRP 57 Cb 0.15 -0.18 -0.02 0.00 -0.51 0.00 0.00 29.16 28.60 1t2k h TRP 57 CO 0.00 0.58 0.06 0.00 -1.03 0.00 0.00 178.44 178.06 1t2k h ALA 58 N 1.46 0.54 -0.30 2.65 0.00 -1.11 -1.61 119.26 120.90 1t2k h ALA 58 Ca 0.13 -0.22 -0.18 0.00 0.00 0.00 0.00 54.91 54.63 1t2k h ALA 58 Cb 0.32 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 17.96 1t2k h ALA 58 CO 0.01 0.26 -0.53 0.93 0.00 0.00 0.00 179.25 179.92 1t2k h GLU 59 N 0.53 0.88 -0.61 0.00 5.08 -1.09 1.65 114.58 121.02 1t2k h GLU 59 Ca 0.12 -0.55 -0.00 0.00 -1.00 0.00 0.00 59.36 57.93 1t2k h GLU 59 Cb 0.38 0.06 -0.03 0.00 0.50 0.00 0.00 28.75 29.66 1t2k h GLU 59 CO 0.01 1.19 0.37 0.00 -1.00 0.00 0.00 179.01 179.57 1t2k h ALA 60 N 0.70 1.51 -0.13 3.43 0.00 -0.55 0.47 119.26 124.68 1t2k h ALA 60 Ca 0.02 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.86 1t2k h ALA 60 Cb 1.14 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 18.68 1t2k h ALA 60 CO 0.12 0.43 0.00 0.25 0.00 0.00 0.00 179.25 180.05 1t2k n THR 61 N -4.42 0.17 -2.97 0.00 -2.24 -0.62 -4.62 114.28 99.57 1t2k n THR 61 Ca 0.06 -0.32 -0.12 0.00 -2.27 0.00 0.00 64.05 61.40 1t2k n THR 61 Cb 0.07 0.38 0.05 0.00 -2.10 0.00 0.00 70.33 68.73 1t2k n THR 61 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1t2k n GLY 62 N 1.13 0.03 0.22 3.38 0.00 0.16 -4.96 105.19 105.15 1t2k n GLY 62 Ca 0.17 -0.14 -0.20 0.00 0.00 0.00 0.00 46.02 45.85 1t2k n GLY 62 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1t2k n ALA 63 N -3.35 1.29 -3.17 4.61 0.00 0.55 -4.80 120.51 115.65 1t2k n ALA 63 Ca -0.09 -0.89 -0.46 0.00 0.00 0.00 0.00 53.44 52.01 1t2k n ALA 63 Cb 0.57 0.13 -0.02 0.00 0.00 0.00 0.00 19.45 20.13 1t2k n ALA 63 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 177.50 177.03 1t2k s TYR 64 N -2.59 3.51 -0.67 0.00 5.04 -0.29 -4.94 117.35 117.41 1t2k s TYR 64 Ca -0.31 -1.76 -0.24 0.00 -2.44 0.00 0.00 57.07 52.32 1t2k s TYR 64 Cb 0.10 -4.01 0.06 0.00 0.35 0.00 0.00 41.96 38.46 1t2k s TYR 64 CO 0.42 -1.19 1.04 0.08 -1.34 0.00 0.00 175.55 174.55 1t2k s VAL 65 N 1.17 4.18 0.27 3.14 1.01 -1.26 -4.27 120.40 124.64 1t2k s VAL 65 Ca 0.24 -0.13 0.17 0.00 0.00 0.00 0.00 61.98 62.26 1t2k s VAL 65 Cb -0.08 -4.73 0.25 0.00 0.00 0.00 0.00 36.38 31.82 1t2k s VAL 65 CO -0.09 -1.53 0.65 -2.65 0.00 0.00 0.00 175.10 171.48 1t2k n PRO 66 N 8.09 0.00 -2.45 2.72 -0.02 -1.26 -2.95 135.00 139.13 1t2k n PRO 66 Ca -0.02 0.48 -0.42 0.00 -2.02 0.00 0.00 63.50 61.52 1t2k n PRO 66 Cb 0.46 -1.17 -0.02 0.00 -0.02 0.00 0.00 33.50 32.75 1t2k n PRO 66 CO 0.00 0.00 0.00 0.20 1.98 0.00 0.00 175.50 177.68 1t2k s GLY 67 N -2.97 1.04 -0.17 -1.23 0.00 -1.26 -4.08 107.32 98.65 1t2k s GLY 67 Ca -0.02 -0.57 0.00 0.00 0.00 0.00 0.00 44.72 44.14 1t2k s GLY 67 CO 0.30 2.68 0.00 -2.13 0.00 0.00 0.00 173.10 173.94 1t2k n ARG 68 N 8.38 -1.89 -2.09 2.90 3.00 -1.26 -4.80 116.66 120.89 1t2k n ARG 68 Ca 0.12 0.32 -0.42 0.00 -0.00 0.00 0.00 57.85 57.88 1t2k n ARG 68 Cb 0.49 -3.96 -0.00 0.00 0.00 0.00 0.00 32.46 28.99 1t2k n ARG 68 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.63 177.38 1t2k n ASP 69 N 0.74 6.02 -1.19 6.15 8.00 -1.15 -4.95 116.55 130.17 1t2k n ASP 69 Ca -0.02 -3.05 -0.17 0.00 0.71 0.00 0.00 54.79 52.27 1t2k n ASP 69 Cb 0.28 -1.47 -0.03 0.00 -0.02 0.00 0.00 41.12 39.88 1t2k n ASP 69 CO 0.00 0.00 0.00 2.29 -0.39 0.00 0.00 177.20 179.10 1t2k n LYS 70 N 3.52 0.00 -1.18 -1.24 2.85 -1.26 -4.68 118.16 116.18 1t2k n LYS 70 Ca 0.50 0.00 -0.38 0.00 -1.05 0.00 0.00 58.31 57.38 1t2k n LYS 70 Cb 0.32 -0.38 0.02 0.00 -0.65 0.00 0.00 35.03 34.34 1t2k n LYS 70 CO 0.00 0.00 0.00 -2.30 -0.05 0.00 0.00 177.40 175.05 1t2k n PRO 71 N 1.20 0.01 -3.05 -1.58 -0.02 -1.26 -4.98 135.00 125.32 1t2k n PRO 71 Ca 0.09 0.01 -0.19 0.00 -2.02 0.00 0.00 63.50 61.39 1t2k n PRO 71 Cb -0.01 -1.03 -0.03 0.00 -0.02 0.00 0.00 33.50 32.40 1t2k n PRO 71 CO 0.00 0.00 0.00 -3.47 1.98 0.00 0.00 175.50 174.01 1t2k n ASP 72 N 2.69 -0.98 -0.18 2.55 -0.08 -1.26 -5.02 116.55 114.26 1t2k n ASP 72 Ca 0.05 -2.86 -0.05 0.00 -1.51 0.00 0.00 54.79 50.42 1t2k n ASP 72 Cb 0.50 0.23 0.02 0.00 2.34 0.00 0.00 41.12 44.20 1t2k n ASP 72 CO 0.00 0.00 0.00 -0.07 0.12 0.00 0.00 177.20 177.25 1t2k h LEU 73 N 4.18 -1.00 -0.63 -2.67 -0.00 -1.98 -1.84 115.31 111.37 1t2k h LEU 73 Ca 0.02 0.21 0.13 0.00 -0.00 0.00 0.00 57.88 58.24 1t2k h LEU 73 Cb 0.94 0.51 -0.10 0.00 -0.00 0.00 0.00 40.66 42.01 1t2k h LEU 73 CO 0.39 -0.29 0.04 -0.65 -0.00 0.00 0.00 178.44 177.94 1t2k h PRO 74 N -0.15 0.15 -0.40 1.13 0.11 -1.99 -1.52 132.00 129.34 1t2k h PRO 74 Ca 0.24 -0.01 -0.10 0.00 0.11 0.00 0.00 66.00 66.24 1t2k h PRO 74 Cb 0.53 -0.03 -0.01 0.00 0.11 0.00 0.00 31.00 31.59 1t2k h PRO 74 CO -0.64 0.10 -0.14 1.15 -0.21 0.00 0.00 178.00 178.26 1t2k h THR 75 N 0.16 1.28 -0.85 -1.15 2.02 -1.81 0.03 112.91 112.59 1t2k h THR 75 Ca 0.33 -1.26 -0.01 0.00 0.77 0.00 0.00 66.41 66.25 1t2k h THR 75 Cb 0.54 1.24 -0.04 0.00 -1.74 0.00 0.00 68.15 68.16 1t2k h THR 75 CO -0.51 0.42 0.49 -0.50 0.37 0.00 0.00 175.52 175.80 1t2k h TRP 76 N 0.62 1.13 -0.35 3.16 6.55 -0.54 0.14 115.95 126.67 1t2k h TRP 76 Ca 0.10 -0.01 -0.11 0.00 0.95 0.00 0.00 58.89 59.82 1t2k h TRP 76 Cb 0.68 -0.37 -0.01 0.00 -0.86 0.00 0.00 29.16 28.61 1t2k h TRP 76 CO 0.05 0.77 -0.20 -0.22 -1.05 0.00 0.00 178.44 177.79 1t2k h LYS 77 N 1.17 0.74 -0.38 0.49 3.64 -1.19 -2.26 116.57 118.78 1t2k h LYS 77 Ca 0.30 -0.34 -0.02 0.00 -1.27 0.00 0.00 60.65 59.33 1t2k h LYS 77 Cb -0.02 -0.01 -0.02 0.00 -0.41 0.00 0.00 32.23 31.77 1t2k h LYS 77 CO -0.05 0.95 0.16 -0.09 -2.27 0.00 0.00 179.45 178.15 1t2k h ARG 78 N 0.52 0.56 -0.44 1.90 2.43 -0.19 -1.08 114.38 118.08 1t2k h ARG 78 Ca 0.07 -0.09 -0.09 0.00 -0.81 0.00 0.00 59.98 59.06 1t2k h ARG 78 Cb 0.74 -0.09 -0.02 0.00 -0.42 0.00 0.00 29.97 30.18 1t2k h ARG 78 CO 0.06 0.52 -0.10 -0.91 -1.51 0.00 0.00 179.97 178.03 1t2k h ASN 79 N 0.46 0.78 -0.32 -3.80 4.21 -1.02 -0.11 115.58 115.78 1t2k h ASN 79 Ca 0.13 -0.23 -0.04 0.00 1.21 0.00 0.00 56.30 57.37 1t2k h ASN 79 Cb 0.16 -0.21 -0.01 0.00 -1.12 0.00 0.00 38.32 37.14 1t2k h ASN 79 CO -0.01 0.91 0.06 0.15 -1.29 0.00 0.00 177.43 177.24 1t2k h PHE 80 N 0.72 0.57 -0.66 1.19 3.04 -1.06 -0.83 116.94 119.90 1t2k h PHE 80 Ca 0.12 -0.08 -0.04 0.00 3.98 0.00 0.00 57.97 61.96 1t2k h PHE 80 Cb 0.58 -0.16 -0.03 0.00 2.56 0.00 0.00 35.95 38.91 1t2k h PHE 80 CO 0.03 0.60 0.26 -0.09 -2.02 0.00 0.00 178.31 177.10 1t2k h ARG 81 N 0.36 0.99 -0.65 1.11 2.43 -0.81 -2.34 114.38 115.47 1t2k h ARG 81 Ca 0.10 -0.18 -0.04 0.00 -0.81 0.00 0.00 59.98 59.05 1t2k h ARG 81 Cb 0.34 -0.16 -0.03 0.00 -0.42 0.00 0.00 29.97 29.70 1t2k h ARG 81 CO 0.01 0.83 0.24 0.77 -1.51 0.00 0.00 179.97 180.30 1t2k h SER 82 N 0.93 0.92 -0.56 -3.80 0.02 -0.78 0.13 113.55 110.41 1t2k h SER 82 Ca 0.22 -0.18 -0.02 0.00 -0.84 0.00 0.00 61.79 60.97 1t2k h SER 82 Cb 0.21 -0.24 -0.03 0.00 0.14 0.00 0.00 62.40 62.48 1t2k h SER 82 CO -0.02 0.86 0.28 0.00 -1.14 0.00 0.00 176.83 176.81 1t2k h ALA 83 N 1.10 0.72 -0.16 3.77 0.00 -0.76 -1.89 119.26 122.05 1t2k h ALA 83 Ca 0.22 -0.12 -0.10 0.00 0.00 0.00 0.00 54.91 54.91 1t2k h ALA 83 Cb 0.24 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 1t2k h ALA 83 CO -0.01 0.27 -0.32 -0.07 0.00 0.00 0.00 179.25 179.12 1t2k h LEU 84 N 0.76 0.32 -0.76 0.00 3.38 -1.18 -3.23 115.31 114.60 1t2k h LEU 84 Ca 0.20 -0.12 0.01 0.00 0.09 0.00 0.00 57.88 58.06 1t2k h LEU 84 Cb 0.09 -0.09 -0.04 0.00 0.09 0.00 0.00 40.66 40.72 1t2k h LEU 84 CO -0.03 0.63 0.50 -1.13 0.09 0.00 0.00 178.44 178.51 1t2k h ASN 85 N 0.28 0.87 -2.07 -0.43 -0.73 -0.13 -2.77 115.58 110.61 1t2k h ASN 85 Ca 0.04 -0.02 -0.77 0.00 1.87 0.00 0.00 56.30 57.42 1t2k h ASN 85 Cb 0.71 -0.21 -0.28 0.00 0.27 0.00 0.00 38.32 38.80 1t2k h ASN 85 CO 0.05 0.62 0.93 -2.11 -0.37 0.00 0.00 177.43 176.56 1t2k n ARG 86 N -4.56 3.67 -2.28 6.67 1.85 -1.15 -4.48 116.66 116.38 1t2k n ARG 86 Ca 0.08 -3.98 -0.16 0.00 -1.00 0.00 0.00 57.85 52.79 1t2k n ARG 86 Cb 0.02 -2.33 0.03 0.00 -1.05 0.00 0.00 32.46 29.13 1t2k n ARG 86 CO 0.00 0.00 0.00 1.17 -0.01 0.00 0.00 177.63 178.79 1t2k n LYS 87 N -0.37 3.01 0.00 2.89 3.00 -1.04 -5.05 118.16 120.59 1t2k n LYS 87 Ca 0.50 -3.96 0.00 0.00 -0.00 0.00 0.00 58.31 54.86 1t2k n LYS 87 Cb 0.26 -2.06 0.00 0.00 0.00 0.00 0.00 35.03 33.23 1t2k n LYS 87 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.40 175.49 1t2k n GLU 88 N -0.67 0.00 0.00 1.64 0.00 -1.26 -2.51 120.64 117.84 1t2k n GLU 88 Ca 0.32 0.00 0.00 0.00 0.00 0.00 0.00 57.16 57.48 1t2k n GLU 88 Cb 0.91 0.00 0.00 0.00 0.00 0.00 0.00 31.44 32.35 1t2k n GLU 88 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 1t2k n GLY 89 N 0.00 -0.60 3.01 8.31 0.00 -1.26 -5.09 105.19 109.56 1t2k n GLY 89 Ca 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.90 1t2k n GLY 89 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1t2k s LEU 90 N 0.00 1.66 0.06 0.99 2.96 -1.04 -1.95 118.68 121.36 1t2k s LEU 90 Ca 0.00 0.05 -0.22 0.00 -0.22 0.00 0.00 54.13 53.74 1t2k s LEU 90 Cb 0.00 0.40 0.05 0.00 0.50 0.00 0.00 46.19 47.14 1t2k s LEU 90 CO 0.00 -0.14 0.52 0.00 -1.32 0.00 0.00 176.35 175.41 1t2k s ARG 91 N -0.42 1.06 0.92 1.98 1.70 -0.35 -4.81 118.95 119.04 1t2k s ARG 91 Ca -0.05 -0.28 -0.11 0.00 -0.47 0.00 0.00 55.73 54.81 1t2k s ARG 91 Cb -0.03 0.48 0.14 0.00 -0.57 0.00 0.00 34.95 34.97 1t2k s ARG 91 CO 0.00 -0.39 1.09 -0.51 -1.08 0.00 0.00 175.30 174.42 1t2k s LEU 92 N -2.09 2.28 0.00 -1.89 1.02 -1.26 -0.45 118.68 116.29 1t2k s LEU 92 Ca -0.04 1.68 0.00 0.00 0.02 0.00 0.00 54.13 55.79 1t2k s LEU 92 Cb -0.00 -4.06 0.00 0.00 0.02 0.00 0.00 46.19 42.15 1t2k s LEU 92 CO -0.03 -2.88 0.00 0.00 0.02 0.00 0.00 176.35 173.46 1t2k n ALA 93 N -4.06 0.00 -3.64 4.21 0.00 0.00 -4.67 120.51 112.36 1t2k n ALA 93 Ca 0.08 0.00 -0.06 0.00 0.00 0.00 0.00 53.44 53.46 1t2k n ALA 93 Cb 0.54 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 19.92 1t2k n ALA 93 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 1t2k s GLU 94 N 0.00 0.49 -0.75 0.00 2.02 -1.13 -4.98 118.70 114.35 1t2k s GLU 94 Ca 0.00 0.75 0.03 0.00 0.02 0.00 0.00 54.97 55.77 1t2k s GLU 94 Cb 0.00 0.16 0.18 0.00 0.10 0.00 0.00 34.13 34.57 1t2k s GLU 94 CO 0.00 -0.09 0.56 0.34 0.02 0.00 0.00 175.26 176.10 1t2k s ASP 95 N 0.99 5.14 0.00 -0.19 3.68 -1.26 -1.11 116.67 123.93 1t2k s ASP 95 Ca -0.05 -3.76 0.07 0.00 2.13 0.00 0.00 52.55 50.94 1t2k s ASP 95 Cb -0.04 -1.72 0.29 0.00 -1.45 0.00 0.00 42.92 40.00 1t2k s ASP 95 CO -0.12 -0.13 1.20 0.54 0.13 0.00 0.00 175.17 176.80 1t2k n ARG 96 N 2.16 1.20 -0.29 4.34 5.12 0.13 -4.54 116.66 124.78 1t2k n ARG 96 Ca 0.19 -0.32 0.29 0.00 -1.93 0.00 0.00 57.85 56.08 1t2k n ARG 96 Cb 0.35 -1.13 0.53 0.00 -1.16 0.00 0.00 32.46 31.06 1t2k n ARG 96 CO 0.00 0.00 0.00 0.45 -1.93 0.00 0.00 177.63 176.15 1t2k n SER 97 N -0.30 0.31 -1.28 0.55 2.88 -0.60 0.33 113.62 115.51 1t2k n SER 97 Ca 0.06 1.50 0.08 0.00 -1.33 0.00 0.00 58.87 59.18 1t2k n SER 97 Cb 0.09 -0.73 0.29 0.00 -0.75 0.00 0.00 64.21 63.11 1t2k n SER 97 CO 0.00 0.00 0.00 2.29 -1.23 0.00 0.00 175.04 176.10 1t2k n LYS 98 N -5.05 2.97 -1.88 -1.46 0.00 -1.26 -4.41 118.16 107.07 1t2k n LYS 98 Ca 0.34 -2.30 -0.43 0.00 -0.00 0.00 0.00 58.31 55.93 1t2k n LYS 98 Cb 1.16 -1.68 -0.03 0.00 -0.00 0.00 0.00 35.03 34.48 1t2k n LYS 98 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.40 177.74 1t2k s ASP 99 N -0.88 6.19 0.18 -5.58 -1.08 0.15 -4.93 116.67 110.72 1t2k s ASP 99 Ca 0.42 1.98 -0.24 0.00 -0.52 0.00 0.00 52.55 54.18 1t2k s ASP 99 Cb 0.25 -2.53 0.08 0.00 -1.46 0.00 0.00 42.92 39.26 1t2k s ASP 99 CO 0.23 -1.36 1.56 -0.65 0.52 0.00 0.00 175.17 175.47 1t2k h PRO 100 N 11.68 -0.14 0.00 4.34 0.11 -1.93 -2.89 132.00 143.17 1t2k h PRO 100 Ca -0.40 0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.72 1t2k h PRO 100 Cb 1.20 0.03 0.00 0.00 0.11 0.00 0.00 31.00 32.34 1t2k h PRO 100 CO 0.97 -0.09 -0.49 0.72 -0.21 0.00 0.00 178.00 178.90 1t2k n HIS 101 N -5.40 0.61 -2.90 0.65 8.25 -1.26 -4.67 115.22 110.50 1t2k n HIS 101 Ca 0.04 0.18 -0.05 0.00 -0.26 0.00 0.00 57.72 57.63 1t2k n HIS 101 Cb 0.35 -0.70 -0.00 0.00 1.12 0.00 0.00 29.99 30.75 1t2k n HIS 101 CO 0.00 0.00 0.00 0.34 0.64 0.00 0.00 176.34 177.32 1t2k s ASP 102 N -4.24 -1.19 0.01 0.41 2.15 -1.10 -5.12 116.67 107.59 1t2k s ASP 102 Ca 0.07 -1.66 -0.30 0.00 0.43 0.00 0.00 52.55 51.09 1t2k s ASP 102 Cb 0.13 1.71 -0.08 0.00 -0.30 0.00 0.00 42.92 44.38 1t2k s ASP 102 CO 0.69 -0.09 1.97 -2.84 -0.17 0.00 0.00 175.17 174.73 1t2k s PRO 103 N 1.00 4.06 0.18 4.34 0.02 -1.19 -4.71 135.00 138.70 1t2k s PRO 103 Ca 0.27 2.53 -0.24 0.00 0.02 0.00 0.00 61.00 63.59 1t2k s PRO 103 Cb -0.01 -4.17 0.05 0.00 0.02 0.00 0.00 34.50 30.40 1t2k s PRO 103 CO -0.06 -1.04 0.84 -3.38 -0.33 0.00 0.00 177.00 173.02 1t2k s HIS 104 N 4.75 -0.21 0.05 6.54 -3.43 -1.20 0.39 115.29 122.18 1t2k s HIS 104 Ca 0.88 -0.12 0.08 0.00 -0.80 0.00 0.00 55.06 55.10 1t2k s HIS 104 Cb -0.41 0.65 -0.03 0.00 -1.43 0.00 0.00 32.58 31.36 1t2k s HIS 104 CO 0.40 -0.94 -0.23 0.15 -2.00 0.00 0.00 174.74 172.12 1t2k s LYS 105 N -3.53 1.47 -0.21 -0.38 1.02 -0.27 0.18 119.74 118.02 1t2k s LYS 105 Ca 0.10 -1.03 0.01 0.00 0.02 0.00 0.00 55.97 55.07 1t2k s LYS 105 Cb -0.03 -1.64 0.03 0.00 -0.52 0.00 0.00 37.83 35.67 1t2k s LYS 105 CO 0.01 0.41 -0.16 0.42 -0.92 0.00 0.00 175.35 175.12 1t2k s ILE 106 N -0.85 2.26 -0.05 2.17 1.01 -0.27 -0.84 121.20 124.62 1t2k s ILE 106 Ca 0.09 -1.06 -0.04 0.00 0.00 0.00 0.00 60.65 59.64 1t2k s ILE 106 Cb -0.09 -2.05 -0.04 0.00 0.01 0.00 0.00 42.46 40.29 1t2k s ILE 106 CO 0.02 0.38 0.15 -0.31 0.00 0.00 0.00 174.94 175.18 1t2k s TYR 107 N 1.27 3.52 0.05 3.97 1.51 -0.30 -0.82 117.35 126.56 1t2k s TYR 107 Ca 0.02 0.40 0.05 0.00 -1.01 0.00 0.00 57.07 56.53 1t2k s TYR 107 Cb -0.15 -1.86 -0.02 0.00 -0.11 0.00 0.00 41.96 39.82 1t2k s TYR 107 CO -0.10 0.66 -0.15 -2.00 -1.11 0.00 0.00 175.55 172.85 1t2k s GLU 108 N -1.53 0.95 -0.03 -0.62 2.12 0.41 -1.45 118.70 118.55 1t2k s GLU 108 Ca 0.22 -0.85 -0.22 0.00 0.36 0.00 0.00 54.97 54.47 1t2k s GLU 108 Cb -0.12 -0.98 -0.05 0.00 0.26 0.00 0.00 34.13 33.24 1t2k s GLU 108 CO 0.12 0.24 0.66 -0.06 -0.54 0.00 0.00 175.26 175.67 1t2k s PHE 109 N -0.99 3.63 -1.18 5.30 0.08 -0.48 -1.21 117.98 123.14 1t2k s PHE 109 Ca 0.01 1.23 -0.19 0.00 0.12 0.00 0.00 56.93 58.10 1t2k s PHE 109 Cb -0.09 -2.72 -0.03 0.00 -0.57 0.00 0.00 43.02 39.61 1t2k s PHE 109 CO 0.02 0.21 1.93 1.55 -0.10 0.00 0.00 175.22 178.83 1t2k n VAL 110 N 3.28 2.78 0.00 -0.44 3.14 -0.82 -4.97 118.33 121.31 1t2k n VAL 110 Ca -0.04 -2.72 0.00 0.00 -2.96 0.00 0.00 64.34 58.63 1t2k n VAL 110 Cb 0.51 -2.34 0.00 0.00 -1.06 0.00 0.00 33.84 30.95 1t2k n VAL 110 CO 0.00 0.00 0.00 0.59 -6.46 0.00 0.00 176.83 170.96