#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1t2k s PRO 4 N 0.00 2.94 0.01 -0.78 0.02 -1.26 -4.95 135.00 130.98 1t2k s PRO 4 Ca 0.00 1.40 -0.30 0.00 0.02 0.00 0.00 61.00 62.12 1t2k s PRO 4 Cb 0.00 -1.97 -0.05 0.00 0.02 0.00 0.00 34.50 32.50 1t2k s PRO 4 CO 0.00 -1.14 1.26 0.21 -0.33 0.00 0.00 177.00 177.00 1t2k s LYS 5 N -3.97 4.36 0.19 5.54 2.20 -1.26 -4.97 119.74 121.83 1t2k s LYS 5 Ca 0.67 1.80 -0.31 0.00 -0.36 0.00 0.00 55.97 57.77 1t2k s LYS 5 Cb -0.20 -3.47 -0.09 0.00 -1.51 0.00 0.00 37.83 32.55 1t2k s LYS 5 CO 0.39 -0.41 1.42 -2.14 -0.36 0.00 0.00 175.35 174.24 1t2k s PRO 6 N 1.81 4.30 0.33 4.03 0.02 -1.26 -4.99 135.00 139.24 1t2k s PRO 6 Ca 0.59 2.19 -0.27 0.00 0.02 0.00 0.00 61.00 63.54 1t2k s PRO 6 Cb -0.29 -3.17 -0.09 0.00 0.02 0.00 0.00 34.50 30.97 1t2k s PRO 6 CO 0.26 -0.41 1.02 1.03 -0.33 0.00 0.00 177.00 178.56 1t2k s ARG 7 N 0.31 4.49 0.22 5.54 3.00 -1.26 -4.96 118.95 126.30 1t2k s ARG 7 Ca 0.62 1.53 -0.07 0.00 0.00 0.00 0.00 55.73 57.81 1t2k s ARG 7 Cb -0.40 -2.87 0.19 0.00 0.00 0.00 0.00 34.95 31.87 1t2k s ARG 7 CO 0.37 0.15 1.82 0.97 0.00 0.00 0.00 175.30 178.61 1t2k h ILE 8 N 2.66 1.26 -0.28 1.52 -0.00 -1.99 -2.73 117.51 117.96 1t2k h ILE 8 Ca -0.47 -0.73 -0.08 0.00 -0.00 0.00 0.00 64.86 63.58 1t2k h ILE 8 Cb 1.21 0.16 -0.01 0.00 -0.00 0.00 0.00 36.82 38.17 1t2k h ILE 8 CO 0.65 0.32 -0.12 -0.07 -0.00 0.00 0.00 178.15 178.92 1t2k h LEU 9 N 1.23 0.59 -0.47 2.19 3.38 -1.98 0.37 115.31 120.61 1t2k h LEU 9 Ca 0.30 -0.40 -0.06 0.00 0.09 0.00 0.00 57.88 57.81 1t2k h LEU 9 Cb 0.12 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 40.68 1t2k h LEU 9 CO -0.04 0.86 0.08 -0.65 0.09 0.00 0.00 178.44 178.78 1t2k h PRO 10 N 0.31 0.77 -0.57 1.13 0.11 -1.97 0.56 132.00 132.34 1t2k h PRO 10 Ca 0.06 -0.21 -0.02 0.00 0.11 0.00 0.00 66.00 65.95 1t2k h PRO 10 Cb 0.63 -0.09 -0.03 0.00 0.11 0.00 0.00 31.00 31.63 1t2k h PRO 10 CO 0.04 0.79 0.28 2.35 -0.21 0.00 0.00 178.00 181.24 1t2k h TRP 11 N 0.64 0.82 -0.62 0.65 7.01 -1.47 -0.54 115.95 122.45 1t2k h TRP 11 Ca 0.14 -0.04 -0.07 0.00 2.11 0.00 0.00 58.89 61.04 1t2k h TRP 11 Cb 0.39 -0.26 -0.03 0.00 -2.10 0.00 0.00 29.16 27.16 1t2k h TRP 11 CO 0.03 0.63 0.12 1.25 -2.79 0.00 0.00 178.44 177.68 1t2k h LEU 12 N 0.78 0.93 -0.48 0.65 6.46 -0.61 -2.44 115.31 120.60 1t2k h LEU 12 Ca 0.20 -0.20 -0.05 0.00 -0.12 0.00 0.00 57.88 57.71 1t2k h LEU 12 Cb 0.11 -0.25 -0.02 0.00 -0.73 0.00 0.00 40.66 39.78 1t2k h LEU 12 CO -0.03 0.92 0.12 0.58 -0.62 0.00 0.00 178.44 179.41 1t2k h VAL 13 N 0.94 1.24 -0.44 1.05 2.07 0.17 -2.02 116.25 119.25 1t2k h VAL 13 Ca 0.19 -0.84 -0.06 0.00 0.82 0.00 0.00 66.70 66.81 1t2k h VAL 13 Cb 0.37 0.86 -0.02 0.00 -1.52 0.00 0.00 31.29 30.98 1t2k h VAL 13 CO 0.01 0.30 0.03 0.77 0.02 0.00 0.00 177.57 178.69 1t2k h SER 14 N 0.66 0.67 -0.65 0.57 4.64 -0.91 0.73 113.55 119.26 1t2k h SER 14 Ca 0.15 -0.14 -0.02 0.00 -0.47 0.00 0.00 61.79 61.32 1t2k h SER 14 Cb 0.33 -0.18 -0.03 0.00 -0.31 0.00 0.00 62.40 62.21 1t2k h SER 14 CO 0.00 0.72 0.36 1.56 -0.87 0.00 0.00 176.83 178.60 1t2k h GLN 15 N 0.67 0.93 0.44 4.77 1.08 -1.15 0.55 115.11 122.39 1t2k h GLN 15 Ca 0.14 -0.11 -0.02 0.00 -1.45 0.00 0.00 58.65 57.21 1t2k h GLN 15 Cb 0.38 -0.19 0.00 0.00 -0.05 0.00 0.00 27.48 27.63 1t2k h GLN 15 CO 0.01 0.70 -0.21 -0.07 -0.95 0.00 0.00 178.83 178.31 1t2k h LEU 16 N 0.94 -0.50 -0.56 1.46 3.38 -0.45 -0.92 115.31 118.65 1t2k h LEU 16 Ca 0.24 0.02 0.11 0.00 0.09 0.00 0.00 57.88 58.34 1t2k h LEU 16 Cb 0.04 0.13 -0.11 0.00 0.09 0.00 0.00 40.66 40.81 1t2k h LEU 16 CO -0.04 -0.30 -0.19 0.44 0.09 0.00 0.00 178.44 178.45 1t2k h ASP 17 N -0.69 -0.66 0.17 -0.43 3.32 -0.30 1.11 116.42 118.93 1t2k h ASP 17 Ca -0.06 0.18 -0.01 0.00 0.02 0.00 0.00 57.03 57.16 1t2k h ASP 17 Cb 0.45 0.40 -0.00 0.00 0.22 0.00 0.00 39.33 40.40 1t2k h ASP 17 CO 0.10 -0.22 -0.05 -0.07 -1.72 0.00 0.00 179.24 177.27 1t2k h LEU 18 N -0.05 0.00 -1.77 1.55 3.38 -0.99 -3.46 115.31 113.97 1t2k h LEU 18 Ca 0.27 0.00 -0.56 0.00 0.09 0.00 0.00 57.88 57.67 1t2k h LEU 18 Cb 0.46 0.00 -0.17 0.00 0.09 0.00 0.00 40.66 41.04 1t2k h LEU 18 CO -0.60 0.05 -0.91 0.61 0.09 0.00 0.00 178.44 177.68 1t2k n GLY 19 N -1.02 -0.24 0.14 0.83 0.00 0.38 -4.89 105.19 100.40 1t2k n GLY 19 Ca -0.02 0.15 -0.22 0.00 0.00 0.00 0.00 46.02 45.92 1t2k n GLY 19 CO 0.00 0.00 0.00 -1.61 0.00 0.00 0.00 173.32 171.71 1t2k h GLN 20 N -1.67 0.32 -6.39 1.61 5.75 -1.83 -3.46 115.11 109.43 1t2k h GLN 20 Ca -0.63 -0.54 -0.54 0.00 -0.15 0.00 0.00 58.65 56.78 1t2k h GLN 20 Cb 1.39 0.20 -0.00 0.00 1.07 0.00 0.00 27.48 30.13 1t2k h GLN 20 CO 0.71 1.26 0.74 -0.51 -2.65 0.00 0.00 178.83 178.37 1t2k s LEU 21 N -7.15 4.32 0.46 -2.39 1.02 -1.26 -4.98 118.68 108.69 1t2k s LEU 21 Ca -0.20 2.03 -0.24 0.00 0.02 0.00 0.00 54.13 55.73 1t2k s LEU 21 Cb 0.06 -3.57 -0.07 0.00 0.02 0.00 0.00 46.19 42.63 1t2k s LEU 21 CO 0.80 -0.63 1.31 -1.61 0.02 0.00 0.00 176.35 176.24 1t2k s GLU 22 N 2.00 3.68 0.00 1.70 2.02 -1.26 -2.76 118.70 124.08 1t2k s GLU 22 Ca 0.61 2.15 0.00 0.00 0.02 0.00 0.00 54.97 57.75 1t2k s GLU 22 Cb -0.30 -2.55 0.00 0.00 0.10 0.00 0.00 34.13 31.38 1t2k s GLU 22 CO 0.26 -0.73 0.00 0.41 0.02 0.00 0.00 175.26 175.22 1t2k n GLY 23 N 0.63 2.44 3.27 -1.39 0.00 -1.26 -4.83 105.19 104.05 1t2k n GLY 23 Ca 0.06 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.68 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 -3.07 4.27 -0.14 1.61 1.01 -1.11 -3.81 120.40 119.16 1t2k s VAL 24 Ca 0.00 -1.42 -0.33 0.00 0.00 0.00 0.00 61.98 60.23 1t2k s VAL 24 Cb 0.00 -3.63 0.13 0.00 0.00 0.00 0.00 36.38 32.88 1t2k s VAL 24 CO 0.00 -0.53 1.12 0.00 0.00 0.00 0.00 175.10 175.68 1t2k s ALA 25 N 1.43 -2.00 0.58 5.51 0.00 -1.21 -4.76 121.76 121.31 1t2k s ALA 25 Ca 0.03 1.45 -0.19 0.00 0.00 0.00 0.00 51.96 53.25 1t2k s ALA 25 Cb -0.23 -0.02 -0.04 0.00 0.00 0.00 0.00 23.12 22.82 1t2k s ALA 25 CO 0.02 -0.60 1.22 -1.58 0.00 0.00 0.00 175.76 174.82 1t2k s TRP 26 N -2.53 2.41 -0.17 0.00 0.52 -1.26 -1.91 118.94 115.99 1t2k s TRP 26 Ca 0.08 1.50 0.02 0.00 0.02 0.00 0.00 56.10 57.72 1t2k s TRP 26 Cb -0.01 -3.50 0.03 0.00 -1.15 0.00 0.00 33.47 28.84 1t2k s TRP 26 CO -0.06 -2.24 0.86 0.28 0.02 0.00 0.00 176.95 175.82 1t2k n VAL 27 N -1.48 0.63 -3.51 4.03 0.31 0.08 -4.86 118.33 113.53 1t2k n VAL 27 Ca 0.13 -0.82 -0.29 0.00 -0.01 0.00 0.00 64.34 63.36 1t2k n VAL 27 Cb 0.49 0.70 -0.14 0.00 -0.91 0.00 0.00 33.84 33.98 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 -0.68 3.33 -1.03 4.52 3.84 -1.21 -5.01 114.94 118.70 1t2k s ASN 28 Ca 0.03 -1.55 -0.25 0.00 0.21 0.00 0.00 52.86 51.30 1t2k s ASN 28 Cb 0.02 -0.35 -0.14 0.00 -0.55 0.00 0.00 41.25 40.23 1t2k s ASN 28 CO 0.02 -0.40 2.09 -0.54 -2.79 0.00 0.00 177.10 175.48 1t2k s LYS 29 N 1.80 1.88 0.00 0.43 -0.14 -1.26 -1.17 119.74 121.29 1t2k s LYS 29 Ca 0.12 -0.45 0.00 0.00 -1.36 0.00 0.00 55.97 54.28 1t2k s LYS 29 Cb -0.18 -5.04 0.00 0.00 -1.68 0.00 0.00 37.83 30.93 1t2k s LYS 29 CO -0.26 -4.49 0.00 -1.13 -0.76 0.00 0.00 175.35 168.71 1t2k n SER 30 N 16.95 0.00 -2.09 2.83 3.41 -1.26 -5.04 113.62 128.43 1t2k n SER 30 Ca 0.43 0.00 -0.11 0.00 -0.26 0.00 0.00 58.87 58.93 1t2k n SER 30 Cb 0.46 0.00 0.01 0.00 -0.26 0.00 0.00 64.21 64.42 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 0.00 -0.55 0.00 4.33 1.74 -0.31 -4.84 116.66 117.02 1t2k n ARG 31 Ca 0.00 0.37 0.00 0.00 -0.77 0.00 0.00 57.85 57.45 1t2k n ARG 31 Cb 0.00 -0.62 0.00 0.00 -1.02 0.00 0.00 32.46 30.82 1t2k n ARG 31 CO 0.00 0.00 0.00 -2.37 -1.52 0.00 0.00 177.63 173.74 1t2k n THR 32 N -0.37 0.00 -3.97 0.55 5.66 -1.25 -5.01 114.28 109.90 1t2k n THR 32 Ca -0.05 0.00 -0.23 0.00 -3.05 0.00 0.00 64.05 60.72 1t2k n THR 32 Cb 0.21 0.00 -0.17 0.00 -1.55 0.00 0.00 70.33 68.82 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 -0.41 0.93 0.47 1.09 0.52 -1.26 -0.68 118.95 119.61 1t2k s ARG 33 Ca 0.00 -0.06 0.03 0.00 -0.52 0.00 0.00 55.73 55.17 1t2k s ARG 33 Cb 0.00 -1.08 -0.03 0.00 0.52 0.00 0.00 34.95 34.37 1t2k s ARG 33 CO 0.00 -0.21 0.03 -0.59 0.02 0.00 0.00 175.30 174.55 1t2k s PHE 34 N 1.51 1.94 -0.06 -0.53 -0.12 -0.57 -0.75 117.98 119.41 1t2k s PHE 34 Ca -0.01 -0.98 -0.02 0.00 -0.05 0.00 0.00 56.93 55.87 1t2k s PHE 34 Cb -0.13 -1.54 0.04 0.00 -0.63 0.00 0.00 43.02 40.76 1t2k s PHE 34 CO -0.04 0.15 0.11 -0.98 -0.05 0.00 0.00 175.22 174.42 1t2k s ARG 35 N -3.82 0.03 -0.18 1.99 1.70 -0.80 -1.36 118.95 116.50 1t2k s ARG 35 Ca 0.14 0.37 -0.02 0.00 -0.47 0.00 0.00 55.73 55.75 1t2k s ARG 35 Cb 0.03 -0.26 -0.01 0.00 -0.57 0.00 0.00 34.95 34.14 1t2k s ARG 35 CO 0.08 -0.22 -0.08 0.42 -1.08 0.00 0.00 175.30 174.41 1t2k s ILE 36 N 1.53 3.24 0.24 4.99 -1.09 -0.36 -3.28 121.20 126.46 1t2k s ILE 36 Ca -0.05 -0.56 -0.31 0.00 -2.23 0.00 0.00 60.65 57.50 1t2k s ILE 36 Cb -0.12 -2.42 -0.14 0.00 -1.58 0.00 0.00 42.46 38.20 1t2k s ILE 36 CO -0.05 0.48 1.27 -2.65 -1.23 0.00 0.00 174.94 172.76 1t2k n PRO 37 N 4.14 1.70 -2.42 2.79 -0.02 -1.25 -2.60 135.00 137.35 1t2k n PRO 37 Ca -0.18 0.60 0.01 0.00 -2.02 0.00 0.00 63.50 61.91 1t2k n PRO 37 Cb 0.52 -2.16 0.04 0.00 -0.02 0.00 0.00 33.50 31.87 1t2k n PRO 37 CO 0.00 0.00 0.00 1.87 1.98 0.00 0.00 175.50 179.35 1t2k n TRP 38 N 1.38 0.79 -1.72 6.00 -0.00 -1.05 -4.86 117.44 117.98 1t2k n TRP 38 Ca 0.12 -1.63 -0.40 0.00 -0.00 0.00 0.00 57.50 55.59 1t2k n TRP 38 Cb 0.30 -0.15 0.02 0.00 -0.00 0.00 0.00 31.31 31.48 1t2k n TRP 38 CO 0.00 0.00 0.00 1.17 -0.00 0.00 0.00 177.69 178.86 1t2k n LYS 39 N -0.29 1.86 -2.14 5.87 4.81 -1.26 -4.75 118.16 122.26 1t2k n LYS 39 Ca 0.06 0.67 -0.42 0.00 -0.87 0.00 0.00 58.31 57.74 1t2k n LYS 39 Cb 0.90 -2.46 -0.03 0.00 0.02 0.00 0.00 35.03 33.46 1t2k n LYS 39 CO 0.00 0.00 0.00 -1.58 1.17 0.00 0.00 177.40 176.99 1t2k s HIS 40 N -1.24 3.13 0.00 5.64 5.65 -1.26 -4.89 115.29 122.32 1t2k s HIS 40 Ca 0.65 0.87 0.00 0.00 0.25 0.00 0.00 55.06 56.82 1t2k s HIS 40 Cb -0.47 -3.72 0.00 0.00 -1.18 0.00 0.00 32.58 27.21 1t2k s HIS 40 CO 0.55 -2.58 0.34 0.41 -0.65 0.00 0.00 174.74 172.81 1t2k n GLY 41 N 3.57 0.67 0.00 1.59 0.00 -1.26 -2.29 105.19 107.46 1t2k n GLY 41 Ca 0.12 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.14 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 0.91 0.00 -4.70 0.99 4.77 -1.26 -5.00 117.00 112.71 1t2k n LEU 42 Ca 0.00 -0.11 -0.42 0.00 -0.03 0.00 0.00 56.01 55.45 1t2k n LEU 42 Cb 0.16 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.22 1t2k n LEU 42 CO 0.00 0.00 1.29 -0.13 -1.33 0.00 0.00 177.39 177.22 1t2k s ARG 43 N -1.21 4.21 0.30 3.23 0.52 -0.97 -4.84 118.95 120.18 1t2k s ARG 43 Ca 0.00 2.34 -0.02 0.00 -0.52 0.00 0.00 55.73 57.53 1t2k s ARG 43 Cb 0.00 -3.44 0.43 0.00 0.52 0.00 0.00 34.95 32.47 1t2k s ARG 43 CO 0.00 -0.68 1.97 1.96 0.02 0.00 0.00 175.30 178.56 1t2k h GLN 44 N 7.76 1.10 -4.77 3.54 4.20 -1.94 -3.17 115.11 121.83 1t2k h GLN 44 Ca -0.43 -0.07 -0.65 0.00 0.06 0.00 0.00 58.65 57.56 1t2k h GLN 44 Cb 1.20 -0.25 -0.04 0.00 0.30 0.00 0.00 27.48 28.70 1t2k h GLN 44 CO 0.92 0.73 2.51 -0.40 -0.67 0.00 0.00 178.83 181.92 1t2k n ASP 45 N -4.41 3.87 -3.84 1.46 5.75 -1.26 -4.81 116.55 113.31 1t2k n ASP 45 Ca 0.09 -2.82 -0.21 0.00 -0.01 0.00 0.00 54.79 51.84 1t2k n ASP 45 Cb 0.02 -1.60 -0.17 0.00 -1.03 0.00 0.00 41.12 38.35 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 4.62 0.67 0.22 2.12 0.00 -1.20 -5.12 121.76 123.07 1t2k s ALA 46 Ca 0.53 -0.08 0.08 0.00 0.00 0.00 0.00 51.96 52.50 1t2k s ALA 46 Cb 0.10 -0.55 -0.04 0.00 0.00 0.00 0.00 23.12 22.63 1t2k s ALA 46 CO 0.02 -0.20 0.01 1.14 0.00 0.00 0.00 175.76 176.72 1t2k s GLN 47 N 1.35 2.38 0.56 0.00 -2.07 -1.26 -4.99 119.66 115.63 1t2k s GLN 47 Ca -0.04 -1.24 0.32 0.00 -1.82 0.00 0.00 55.36 52.57 1t2k s GLN 47 Cb -0.13 -2.28 1.46 0.00 -1.09 0.00 0.00 33.01 30.96 1t2k s GLN 47 CO -0.02 0.41 1.81 -0.56 -1.32 0.00 0.00 175.29 175.61 1t2k h GLN 48 N 2.28 0.00 -1.69 9.60 -0.00 -2.00 0.78 115.11 124.08 1t2k h GLN 48 Ca -0.46 0.00 0.52 0.00 -0.00 0.00 0.00 58.65 58.71 1t2k h GLN 48 Cb 1.23 0.00 -0.10 0.00 -0.00 0.00 0.00 27.48 28.61 1t2k h GLN 48 CO 0.59 0.00 1.18 1.49 -0.00 0.00 0.00 178.83 182.08 1t2k h GLU 49 N 0.00 0.02 -0.01 0.06 4.22 -1.98 2.91 114.58 119.79 1t2k h GLU 49 Ca 0.41 -0.00 0.00 0.00 0.08 0.00 0.00 59.36 59.85 1t2k h GLU 49 Cb 1.84 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 31.09 1t2k h GLU 49 CO -0.00 0.01 -0.06 -0.25 -2.18 0.00 0.00 179.01 176.53 1t2k n ASP 50 N -4.26 0.68 -0.65 1.04 8.00 0.27 -3.68 116.55 117.96 1t2k n ASP 50 Ca 0.41 -0.97 0.02 0.00 0.71 0.00 0.00 54.79 54.96 1t2k n ASP 50 Cb 1.78 -0.02 0.03 0.00 -0.02 0.00 0.00 41.12 42.88 1t2k n ASP 50 CO 0.00 0.00 0.00 0.49 -0.39 0.00 0.00 177.20 177.30 1t2k n PHE 51 N -0.62 0.00 -0.12 1.24 3.01 0.95 -4.49 117.46 117.43 1t2k n PHE 51 Ca 0.18 -0.27 -0.09 0.00 1.01 0.00 0.00 57.45 58.29 1t2k n PHE 51 Cb 0.26 -0.09 -0.01 0.00 -0.01 0.00 0.00 39.48 39.64 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 0.23 0.57 0.92 1.37 0.00 -1.09 0.25 103.07 105.32 1t2k h GLY 52 Ca -0.04 -0.25 -0.10 0.00 0.00 0.00 0.00 47.33 46.93 1t2k h GLY 52 CO 0.02 0.24 -0.22 -2.22 0.00 0.00 0.00 176.54 174.36 1t2k h ILE 53 N 0.49 1.30 -0.82 2.60 5.03 -1.88 0.36 117.51 124.60 1t2k h ILE 53 Ca 0.14 -1.36 -0.01 0.00 -0.12 0.00 0.00 64.86 63.50 1t2k h ILE 53 Cb 0.04 1.58 -0.04 0.00 -3.03 0.00 0.00 36.82 35.37 1t2k h ILE 53 CO -0.02 0.43 0.46 -0.26 -0.68 0.00 0.00 178.15 178.08 1t2k h PHE 54 N 0.37 1.11 -0.25 1.37 0.04 -1.80 -1.02 116.94 116.76 1t2k h PHE 54 Ca 0.05 -0.02 -0.11 0.00 2.80 0.00 0.00 57.97 60.70 1t2k h PHE 54 Cb 0.77 -0.36 -0.00 0.00 2.20 0.00 0.00 35.95 38.56 1t2k h PHE 54 CO 0.07 0.77 -0.26 0.37 -0.60 0.00 0.00 178.31 178.66 1t2k h GLN 55 N 1.13 0.61 -0.53 1.51 4.15 -0.40 -2.73 115.11 118.86 1t2k h GLN 55 Ca 0.29 -0.33 -0.01 0.00 0.77 0.00 0.00 58.65 59.37 1t2k h GLN 55 Cb 0.01 0.01 -0.02 0.00 0.21 0.00 0.00 27.48 27.69 1t2k h GLN 55 CO -0.05 0.93 0.27 0.00 -1.93 0.00 0.00 178.83 178.05 1t2k h ALA 56 N 0.67 0.68 -0.45 3.38 0.00 0.38 0.10 119.26 124.02 1t2k h ALA 56 Ca 0.04 -0.11 -0.05 0.00 0.00 0.00 0.00 54.91 54.79 1t2k h ALA 56 Cb 0.82 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 18.38 1t2k h ALA 56 CO 0.06 0.21 0.08 2.35 0.00 0.00 0.00 179.25 181.95 1t2k h TRP 57 N 0.70 0.72 -0.24 0.00 2.91 -1.30 0.44 115.95 119.18 1t2k h TRP 57 Ca 0.18 -0.07 -0.03 0.00 1.13 0.00 0.00 58.89 60.11 1t2k h TRP 57 Cb 0.08 -0.21 -0.01 0.00 -0.51 0.00 0.00 29.16 28.51 1t2k h TRP 57 CO -0.01 0.63 0.04 0.00 -1.03 0.00 0.00 178.44 178.07 1t2k h ALA 58 N 1.42 0.32 -0.11 2.65 0.00 -0.75 -0.83 119.26 121.96 1t2k h ALA 58 Ca 0.15 -0.18 -0.12 0.00 0.00 0.00 0.00 54.91 54.76 1t2k h ALA 58 Cb 0.30 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.99 1t2k h ALA 58 CO 0.00 0.00 -0.44 1.05 0.00 0.00 0.00 179.25 179.86 1t2k h GLU 59 N 0.21 0.26 -0.64 0.00 4.11 -0.43 -0.88 114.58 117.21 1t2k h GLU 59 Ca 0.07 -0.13 0.03 0.00 0.07 0.00 0.00 59.36 59.40 1t2k h GLU 59 Cb 0.33 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.55 1t2k h GLU 59 CO 0.01 0.66 0.42 0.00 0.07 0.00 0.00 179.01 180.17 1t2k h ALA 60 N 1.32 1.63 -0.01 1.06 0.00 0.39 -1.17 119.26 122.48 1t2k h ALA 60 Ca 0.02 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.89 1t2k h ALA 60 Cb 0.87 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 18.44 1t2k h ALA 60 CO 0.07 0.31 -0.31 0.25 0.00 0.00 0.00 179.25 179.57 1t2k n THR 61 N -4.46 0.00 -0.55 0.00 -2.24 -0.36 -4.74 114.28 101.92 1t2k n THR 61 Ca 0.08 -0.16 0.00 0.00 -2.27 0.00 0.00 64.05 61.70 1t2k n THR 61 Cb 0.11 0.59 0.00 0.00 -2.10 0.00 0.00 70.33 68.94 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 1.36 0.69 0.10 3.38 0.00 -0.44 -4.93 105.19 105.34 1t2k n GLY 62 Ca 0.11 -0.33 -0.15 0.00 0.00 0.00 0.00 46.02 45.66 1t2k n GLY 62 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1t2k h ALA 63 N 0.00 0.13 -3.64 4.61 0.00 -1.40 -3.41 119.26 115.55 1t2k h ALA 63 Ca 0.00 -0.89 -0.65 0.00 0.00 0.00 0.00 54.91 53.37 1t2k h ALA 63 Cb 0.00 -0.00 -0.40 0.00 0.00 0.00 0.00 17.79 17.39 1t2k h ALA 63 CO 0.00 1.01 -0.73 -0.47 0.00 0.00 0.00 179.25 179.06 1t2k s TYR 64 N -2.66 3.47 -0.60 0.00 5.04 -0.92 -4.97 117.35 116.70 1t2k s TYR 64 Ca -0.03 -2.79 -0.16 0.00 -2.44 0.00 0.00 57.07 51.65 1t2k s TYR 64 Cb 0.07 -2.69 0.15 0.00 0.35 0.00 0.00 41.96 39.83 1t2k s TYR 64 CO 0.88 -0.93 0.56 0.08 -1.34 0.00 0.00 175.55 174.79 1t2k s VAL 65 N 1.01 5.27 0.15 3.14 1.01 -1.26 -4.03 120.40 125.69 1t2k s VAL 65 Ca 0.09 -1.67 -0.30 0.00 0.00 0.00 0.00 61.98 60.10 1t2k s VAL 65 Cb -0.19 -4.37 -0.17 0.00 0.00 0.00 0.00 36.38 31.65 1t2k s VAL 65 CO -0.10 -0.91 0.64 -2.65 0.00 0.00 0.00 175.10 172.08 1t2k n PRO 66 N 5.04 0.00 0.00 2.72 -0.02 -1.26 -1.39 135.00 140.09 1t2k n PRO 66 Ca -0.08 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.40 1t2k n PRO 66 Cb 0.41 -1.10 0.00 0.00 -0.02 0.00 0.00 33.50 32.79 1t2k n PRO 66 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1t2k n GLY 67 N 1.87 2.58 0.17 -1.23 0.00 -1.26 -4.64 105.19 102.68 1t2k n GLY 67 Ca 0.18 -0.57 -0.17 0.00 0.00 0.00 0.00 46.02 45.45 1t2k n GLY 67 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 1t2k h ARG 68 N 0.00 0.55 -6.19 1.61 2.43 -1.66 -3.46 114.38 107.66 1t2k h ARG 68 Ca 0.00 -0.52 -0.52 0.00 -0.81 0.00 0.00 59.98 58.13 1t2k h ARG 68 Cb 0.00 0.13 -0.06 0.00 -0.42 0.00 0.00 29.97 29.62 1t2k h ARG 68 CO 0.00 1.15 -0.55 -0.51 -1.51 0.00 0.00 179.97 178.55 1t2k s ASP 69 N -6.86 5.16 -0.17 -3.80 1.01 -0.97 -5.06 116.67 105.99 1t2k s ASP 69 Ca -0.12 -0.43 -0.27 0.00 0.71 0.00 0.00 52.55 52.45 1t2k s ASP 69 Cb 0.05 -1.15 -0.01 0.00 1.01 0.00 0.00 42.92 42.82 1t2k s ASP 69 CO 0.85 -0.08 0.89 -1.59 0.21 0.00 0.00 175.17 175.45 1t2k s LYS 70 N -3.81 4.31 1.02 8.23 -2.85 -1.26 -4.77 119.74 120.60 1t2k s LYS 70 Ca 0.34 1.13 -0.13 0.00 -1.00 0.00 0.00 55.97 56.31 1t2k s LYS 70 Cb -0.07 -3.58 0.13 0.00 -2.06 0.00 0.00 37.83 32.25 1t2k s LYS 70 CO 0.24 -0.38 0.64 -2.30 0.10 0.00 0.00 175.35 173.64 1t2k n PRO 71 N 5.40 -1.03 -2.91 1.78 -0.02 -1.26 -4.97 135.00 131.99 1t2k n PRO 71 Ca 0.06 -0.26 -0.03 0.00 -2.02 0.00 0.00 63.50 61.25 1t2k n PRO 71 Cb 0.48 -2.02 0.00 0.00 -0.02 0.00 0.00 33.50 31.94 1t2k n PRO 71 CO 0.00 0.00 0.00 0.34 1.98 0.00 0.00 175.50 177.82 1t2k s ASP 72 N -2.22 -1.38 0.19 2.55 -1.08 -1.26 -5.03 116.67 108.44 1t2k s ASP 72 Ca 0.62 -1.49 -0.10 0.00 -0.52 0.00 0.00 52.55 51.05 1t2k s ASP 72 Cb -0.21 1.85 0.11 0.00 -1.46 0.00 0.00 42.92 43.21 1t2k s ASP 72 CO 0.64 -0.09 1.76 -0.07 0.52 0.00 0.00 175.17 177.93 1t2k h LEU 73 N 5.61 0.91 -0.67 -1.34 -0.00 -1.99 -2.07 115.31 115.76 1t2k h LEU 73 Ca 0.06 -0.16 -0.01 0.00 -0.00 0.00 0.00 57.88 57.77 1t2k h LEU 73 Cb 1.12 -0.24 -0.03 0.00 -0.00 0.00 0.00 40.66 41.52 1t2k h LEU 73 CO 0.05 0.82 0.36 -0.65 -0.00 0.00 0.00 178.44 179.01 1t2k h PRO 74 N 0.95 0.94 -0.47 1.13 0.11 -1.96 -1.58 132.00 131.11 1t2k h PRO 74 Ca 0.23 -0.11 -0.12 0.00 0.11 0.00 0.00 66.00 66.11 1t2k h PRO 74 Cb 0.17 -0.18 -0.02 0.00 0.11 0.00 0.00 31.00 31.09 1t2k h PRO 74 CO -0.02 0.71 -0.18 1.15 -0.21 0.00 0.00 178.00 179.44 1t2k h THR 75 N 0.92 1.27 -0.66 -1.15 2.02 -1.95 0.70 112.91 114.06 1t2k h THR 75 Ca 0.24 -1.32 -0.01 0.00 0.77 0.00 0.00 66.41 66.08 1t2k h THR 75 Cb 0.05 1.10 -0.03 0.00 -1.74 0.00 0.00 68.15 67.53 1t2k h THR 75 CO -0.04 0.46 0.36 -0.50 0.37 0.00 0.00 175.52 176.17 1t2k h TRP 76 N 0.81 0.90 -0.42 3.16 6.55 -1.08 0.01 115.95 125.88 1t2k h TRP 76 Ca 0.11 -0.02 -0.11 0.00 0.95 0.00 0.00 58.89 59.83 1t2k h TRP 76 Cb 0.73 -0.29 -0.01 0.00 -0.86 0.00 0.00 29.16 28.73 1t2k h TRP 76 CO 0.04 0.64 -0.15 -0.22 -1.05 0.00 0.00 178.44 177.70 1t2k h LYS 77 N 0.90 0.84 -0.30 0.49 3.64 -1.11 -2.33 116.57 118.70 1t2k h LYS 77 Ca 0.23 -0.35 -0.02 0.00 -1.27 0.00 0.00 60.65 59.25 1t2k h LYS 77 Cb 0.04 -0.04 -0.01 0.00 -0.41 0.00 0.00 32.23 31.81 1t2k h LYS 77 CO -0.04 0.98 0.12 -0.09 -2.27 0.00 0.00 179.45 178.15 1t2k h ARG 78 N 0.66 0.45 -0.48 1.90 2.43 -0.09 -0.99 114.38 118.25 1t2k h ARG 78 Ca 0.10 -0.08 -0.09 0.00 -0.81 0.00 0.00 59.98 59.10 1t2k h ARG 78 Cb 0.70 -0.07 -0.02 0.00 -0.42 0.00 0.00 29.97 30.15 1t2k h ARG 78 CO 0.05 0.46 -0.04 -0.91 -1.51 0.00 0.00 179.97 178.02 1t2k h ASN 79 N 0.34 0.81 -0.43 -3.80 4.21 -1.04 -0.06 115.58 115.61 1t2k h ASN 79 Ca 0.10 -0.22 -0.03 0.00 1.21 0.00 0.00 56.30 57.36 1t2k h ASN 79 Cb 0.18 -0.22 -0.02 0.00 -1.12 0.00 0.00 38.32 37.14 1t2k h ASN 79 CO -0.01 0.90 0.16 0.15 -1.29 0.00 0.00 177.43 177.34 1t2k h PHE 80 N 0.76 0.67 -0.54 1.19 3.57 -1.04 -0.53 116.94 121.03 1t2k h PHE 80 Ca 0.14 -0.06 -0.07 0.00 3.53 0.00 0.00 57.97 61.51 1t2k h PHE 80 Cb 0.52 -0.20 -0.02 0.00 2.79 0.00 0.00 35.95 39.05 1t2k h PHE 80 CO 0.03 0.59 0.05 -0.09 -2.23 0.00 0.00 178.31 176.66 1t2k h ARG 81 N 0.55 0.91 -0.64 1.11 2.43 -0.83 -2.61 114.38 115.31 1t2k h ARG 81 Ca 0.14 -0.27 -0.04 0.00 -0.81 0.00 0.00 59.98 59.01 1t2k h ARG 81 Cb 0.22 -0.10 -0.03 0.00 -0.42 0.00 0.00 29.97 29.64 1t2k h ARG 81 CO -0.01 0.91 0.24 0.77 -1.51 0.00 0.00 179.97 180.37 1t2k h SER 82 N 0.80 0.86 -0.48 -3.80 0.02 -0.67 -0.84 113.55 109.44 1t2k h SER 82 Ca 0.16 -0.12 -0.03 0.00 -0.84 0.00 0.00 61.79 60.95 1t2k h SER 82 Cb 0.46 -0.22 -0.02 0.00 0.14 0.00 0.00 62.40 62.76 1t2k h SER 82 CO 0.02 0.78 0.18 0.00 -1.14 0.00 0.00 176.83 176.67 1t2k h ALA 83 N 1.34 0.62 -0.09 3.77 0.00 -0.74 -1.97 119.26 122.20 1t2k h ALA 83 Ca 0.21 -0.16 -0.08 0.00 0.00 0.00 0.00 54.91 54.88 1t2k h ALA 83 Cb 0.20 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 1t2k h ALA 83 CO -0.02 0.25 -0.33 -0.07 0.00 0.00 0.00 179.25 179.09 1t2k h LEU 84 N 0.64 0.18 -0.51 0.00 3.38 -1.27 -3.15 115.31 114.57 1t2k h LEU 84 Ca 0.16 -0.06 0.01 0.00 0.09 0.00 0.00 57.88 58.08 1t2k h LEU 84 Cb 0.22 -0.05 -0.03 0.00 0.09 0.00 0.00 40.66 40.90 1t2k h LEU 84 CO -0.01 0.51 0.32 -1.13 0.09 0.00 0.00 178.44 178.22 1t2k h ASN 85 N 0.16 0.54 -1.59 -0.43 -0.00 -0.35 -2.57 115.58 111.35 1t2k h ASN 85 Ca 0.02 -0.01 -0.70 0.00 -0.00 0.00 0.00 56.30 55.62 1t2k h ASN 85 Cb 0.66 -0.13 -0.26 0.00 -0.00 0.00 0.00 38.32 38.60 1t2k h ASN 85 CO 0.05 0.39 0.91 -2.11 -0.00 0.00 0.00 177.43 176.67 1t2k n ARG 86 N -4.76 2.65 -0.20 6.67 1.85 -1.18 -4.35 116.66 117.35 1t2k n ARG 86 Ca 0.03 -3.24 0.07 0.00 -1.00 0.00 0.00 57.85 53.71 1t2k n ARG 86 Cb 0.05 -2.23 0.18 0.00 -1.05 0.00 0.00 32.46 29.40 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 -0.41 2.61 0.00 2.89 3.00 -0.97 -5.05 118.16 120.23 1t2k n LYS 87 Ca 0.54 -2.09 0.00 0.00 -0.00 0.00 0.00 58.31 56.76 1t2k n LYS 87 Cb 0.38 -1.33 0.00 0.00 0.00 0.00 0.00 35.03 34.08 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 0.79 0.00 0.00 1.64 4.07 -1.26 -3.99 120.64 121.89 1t2k n GLU 88 Ca 0.14 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 57.24 1t2k n GLU 88 Cb 0.46 0.00 0.00 0.00 -0.06 0.00 0.00 31.44 31.84 1t2k n GLU 88 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 1t2k n GLY 89 N 0.54 -0.27 3.12 8.31 0.00 -1.26 -5.10 105.19 110.53 1t2k n GLY 89 Ca 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.91 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 1.55 -0.02 0.99 2.96 -1.26 -2.43 118.68 120.47 1t2k s LEU 90 Ca 0.00 -0.26 -0.29 0.00 -0.22 0.00 0.00 54.13 53.35 1t2k s LEU 90 Cb 0.00 0.71 0.08 0.00 0.50 0.00 0.00 46.19 47.49 1t2k s LEU 90 CO 0.00 -0.41 0.74 0.00 -1.32 0.00 0.00 176.35 175.35 1t2k s ARG 91 N -1.69 1.00 1.12 1.98 1.70 -0.48 -4.82 118.95 117.76 1t2k s ARG 91 Ca -0.12 0.05 -0.13 0.00 -0.47 0.00 0.00 55.73 55.06 1t2k s ARG 91 Cb -0.06 0.47 0.26 0.00 -0.57 0.00 0.00 34.95 35.05 1t2k s ARG 91 CO 0.00 -0.35 1.05 -0.51 -1.08 0.00 0.00 175.30 174.41 1t2k s LEU 92 N -1.59 1.02 0.00 -1.89 1.02 -1.26 -0.49 118.68 115.49 1t2k s LEU 92 Ca -0.06 1.41 0.00 0.00 0.02 0.00 0.00 54.13 55.50 1t2k s LEU 92 Cb -0.00 -3.39 0.00 0.00 0.02 0.00 0.00 46.19 42.82 1t2k s LEU 92 CO 0.02 -3.92 0.00 0.00 0.02 0.00 0.00 176.35 172.47 1t2k n ALA 93 N -4.72 0.00 -3.64 4.21 0.00 -0.23 -4.62 120.51 111.51 1t2k n ALA 93 Ca 0.04 0.00 -0.09 0.00 0.00 0.00 0.00 53.44 53.38 1t2k n ALA 93 Cb 0.55 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 19.93 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 0.55 -0.64 0.00 2.02 -1.13 -4.98 118.70 114.52 1t2k s GLU 94 Ca 0.00 0.69 0.06 0.00 0.02 0.00 0.00 54.97 55.74 1t2k s GLU 94 Cb 0.00 0.25 0.21 0.00 0.10 0.00 0.00 34.13 34.69 1t2k s GLU 94 CO 0.00 -0.07 0.60 -3.47 0.02 0.00 0.00 175.26 172.34 1t2k n ASP 95 N 2.54 2.94 -0.36 -0.19 4.64 -1.26 -1.38 116.55 123.48 1t2k n ASP 95 Ca -0.14 -3.23 0.00 0.00 -1.38 0.00 0.00 54.79 50.05 1t2k n ASP 95 Cb 0.56 -0.70 0.01 0.00 -1.04 0.00 0.00 41.12 39.95 1t2k n ASP 95 CO 0.00 0.00 0.00 0.54 -0.82 0.00 0.00 177.20 176.92 1t2k n ARG 96 N 1.47 1.05 -0.32 -0.67 5.12 0.45 -4.50 116.66 119.25 1t2k n ARG 96 Ca 0.25 -0.04 0.17 0.00 -1.93 0.00 0.00 57.85 56.30 1t2k n ARG 96 Cb 0.40 -1.35 0.37 0.00 -1.16 0.00 0.00 32.46 30.72 1t2k n ARG 96 CO 0.00 0.00 0.00 1.03 -1.93 0.00 0.00 177.63 176.73 1t2k h SER 97 N 0.06 0.41 -0.63 0.55 0.87 -1.60 -0.45 113.55 112.76 1t2k h SER 97 Ca 0.00 0.17 0.00 0.00 -1.23 0.00 0.00 61.79 60.73 1t2k h SER 97 Cb 0.36 0.14 0.00 0.00 -0.44 0.00 0.00 62.40 62.45 1t2k h SER 97 CO 0.00 -0.05 0.00 2.29 -0.53 0.00 0.00 176.83 178.55 1t2k n LYS 98 N -5.04 2.48 -1.84 2.24 0.00 -1.26 -4.43 118.16 110.31 1t2k n LYS 98 Ca 0.26 -2.30 -0.42 0.00 -0.00 0.00 0.00 58.31 55.85 1t2k n LYS 98 Cb 0.78 -1.50 -0.03 0.00 -0.00 0.00 0.00 35.03 34.28 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 -1.02 6.55 0.38 -5.58 -1.08 -0.20 -4.92 116.67 110.80 1t2k s ASP 99 Ca 0.43 2.48 0.15 0.00 -0.52 0.00 0.00 52.55 55.09 1t2k s ASP 99 Cb 0.22 -2.54 1.01 0.00 -1.46 0.00 0.00 42.92 40.15 1t2k s ASP 99 CO 0.29 -0.98 1.81 -0.65 0.52 0.00 0.00 175.17 176.16 1t2k h PRO 100 N 9.83 0.48 -0.01 4.34 0.11 -1.93 -3.23 132.00 141.59 1t2k h PRO 100 Ca -0.45 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.64 1t2k h PRO 100 Cb 1.21 -0.11 0.00 0.00 0.11 0.00 0.00 31.00 32.21 1t2k h PRO 100 CO 0.95 0.32 -0.61 0.72 -0.21 0.00 0.00 178.00 179.16 1t2k n HIS 101 N -4.61 0.00 -2.65 0.65 8.25 -1.26 -4.75 115.22 110.84 1t2k n HIS 101 Ca 0.22 0.00 -0.02 0.00 -0.26 0.00 0.00 57.72 57.67 1t2k n HIS 101 Cb 0.73 -0.00 0.03 0.00 1.12 0.00 0.00 29.99 31.87 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 -2.62 -0.02 0.43 0.41 2.15 -1.23 -5.14 116.67 110.65 1t2k s ASP 102 Ca 0.16 -0.02 -0.23 0.00 0.43 0.00 0.00 52.55 52.88 1t2k s ASP 102 Cb 0.18 0.03 -0.08 0.00 -0.30 0.00 0.00 42.92 42.75 1t2k s ASP 102 CO 0.65 -0.00 1.11 -2.16 -0.17 0.00 0.00 175.17 174.60 1t2k s PRO 103 N 1.25 3.94 0.03 4.34 0.04 -1.22 -4.87 135.00 138.51 1t2k s PRO 103 Ca 0.20 1.66 -0.29 0.00 0.04 0.00 0.00 61.00 62.61 1t2k s PRO 103 Cb 0.13 -2.47 0.11 0.00 0.04 0.00 0.00 34.50 32.31 1t2k s PRO 103 CO -0.13 -0.37 1.21 -3.38 0.04 0.00 0.00 177.00 174.38 1t2k s HIS 104 N -1.60 -0.05 0.12 0.56 -3.43 -1.08 -2.54 115.29 107.28 1t2k s HIS 104 Ca 0.61 -0.11 0.09 0.00 -0.80 0.00 0.00 55.06 54.85 1t2k s HIS 104 Cb -0.26 0.57 -0.04 0.00 -1.43 0.00 0.00 32.58 31.43 1t2k s HIS 104 CO 0.32 -0.41 -0.23 0.15 -2.00 0.00 0.00 174.74 172.57 1t2k s LYS 105 N -2.55 1.24 -0.15 -0.38 1.02 -1.07 -0.41 119.74 117.43 1t2k s LYS 105 Ca 0.15 -1.26 0.01 0.00 0.02 0.00 0.00 55.97 54.90 1t2k s LYS 105 Cb 0.03 -1.55 0.02 0.00 -0.52 0.00 0.00 37.83 35.80 1t2k s LYS 105 CO -0.02 0.36 -0.19 0.42 -0.92 0.00 0.00 175.35 175.00 1t2k s ILE 106 N -1.24 1.89 0.27 2.17 1.01 -0.48 -1.22 121.20 123.60 1t2k s ILE 106 Ca 0.10 -0.85 0.06 0.00 0.00 0.00 0.00 60.65 59.96 1t2k s ILE 106 Cb -0.09 -1.71 -0.03 0.00 0.01 0.00 0.00 42.46 40.64 1t2k s ILE 106 CO 0.05 0.51 0.36 -0.31 0.00 0.00 0.00 174.94 175.55 1t2k s TYR 107 N 1.15 3.27 -0.03 3.97 1.51 -0.47 -1.07 117.35 125.69 1t2k s TYR 107 Ca 0.00 -0.10 -0.06 0.00 -1.01 0.00 0.00 57.07 55.90 1t2k s TYR 107 Cb -0.14 -1.66 0.01 0.00 -0.11 0.00 0.00 41.96 40.05 1t2k s TYR 107 CO -0.08 0.32 0.13 -2.00 -1.11 0.00 0.00 175.55 172.82 1t2k s GLU 108 N -4.01 0.31 0.49 -0.62 2.12 0.36 -1.51 118.70 115.84 1t2k s GLU 108 Ca 0.37 -0.09 -0.07 0.00 0.36 0.00 0.00 54.97 55.54 1t2k s GLU 108 Cb -0.09 0.13 -0.04 0.00 0.26 0.00 0.00 34.13 34.39 1t2k s GLU 108 CO 0.29 -0.06 0.83 -0.06 -0.54 0.00 0.00 175.26 175.71 1t2k s PHE 109 N -0.61 3.56 0.31 5.30 0.08 0.14 -1.38 117.98 125.39 1t2k s PHE 109 Ca -0.07 0.94 -0.12 0.00 0.12 0.00 0.00 56.93 57.80 1t2k s PHE 109 Cb -0.04 -2.40 0.05 0.00 -0.57 0.00 0.00 43.02 40.06 1t2k s PHE 109 CO 0.01 -0.32 0.65 1.33 -0.10 0.00 0.00 175.22 176.78 1t2k n VAL 110 N -2.17 0.00 0.00 -0.44 0.24 -1.02 -4.94 118.33 109.99 1t2k n VAL 110 Ca 0.02 -0.79 0.00 0.00 -2.04 0.00 0.00 64.34 61.53 1t2k n VAL 110 Cb 0.55 0.80 0.00 0.00 -1.47 0.00 0.00 33.84 33.71 1t2k n VAL 110 CO 0.00 0.00 0.00 -0.46 -2.14 0.00 0.00 176.83 174.23 1t2k n ASN 111 N -1.42 0.00 0.00 -1.34 0.23 -1.26 -4.78 115.26 106.69 1t2k n ASN 111 Ca -0.07 0.00 0.00 0.00 -0.53 0.00 0.00 54.58 53.98 1t2k n ASN 111 Cb 0.48 0.00 0.00 0.00 -2.08 0.00 0.00 39.78 38.18 1t2k n ASN 111 CO 0.00 0.00 0.00 -1.54 -0.93 0.00 0.00 177.26 174.79