#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1um4 s ASP 3 N 0.00 6.23 -0.17 1.96 1.01 -1.26 -4.96 116.67 119.48 1um4 s ASP 3 Ca 0.00 2.61 -0.27 0.00 0.71 0.00 0.00 52.55 55.60 1um4 s ASP 3 Cb 0.00 -2.63 -0.01 0.00 1.01 0.00 0.00 42.92 41.29 1um4 s ASP 3 CO 0.00 -0.90 0.93 -0.63 0.21 0.00 0.00 175.17 174.78 1um4 s ILE 4 N -1.30 4.80 -0.09 0.77 1.01 -1.26 -5.01 121.20 120.12 1um4 s ILE 4 Ca 0.59 1.84 -0.19 0.00 0.00 0.00 0.00 60.65 62.89 1um4 s ILE 4 Cb -0.37 -4.23 -0.04 0.00 0.01 0.00 0.00 42.46 37.83 1um4 s ILE 4 CO 0.47 -0.04 0.51 -1.58 0.00 0.00 0.00 174.94 174.29 1um4 s GLN 5 N 2.43 4.31 -0.32 2.79 0.74 -1.26 -4.73 119.66 123.62 1um4 s GLN 5 Ca 0.42 0.52 -0.06 0.00 0.05 0.00 0.00 55.36 56.30 1um4 s GLN 5 Cb -0.17 -3.41 0.03 0.00 1.10 0.00 0.00 33.01 30.57 1um4 s GLN 5 CO 0.12 0.22 0.08 -1.64 -0.55 0.00 0.00 175.29 173.52 1um4 s MET 6 N 0.38 2.70 -0.44 1.67 -1.94 -1.26 -1.07 119.30 119.35 1um4 s MET 6 Ca 0.27 -1.12 -0.17 0.00 -1.71 0.00 0.00 55.69 52.96 1um4 s MET 6 Cb -0.16 -3.40 0.03 0.00 2.01 0.00 0.00 34.83 33.32 1um4 s MET 6 CO 0.12 -0.61 0.46 0.99 -0.01 0.00 0.00 175.02 175.97 1um4 s THR 7 N 1.40 5.08 -0.15 2.05 2.01 -0.29 -3.99 115.64 121.75 1um4 s THR 7 Ca -0.01 -0.45 -0.09 0.00 0.31 0.00 0.00 61.69 61.45 1um4 s THR 7 Cb -0.19 -4.08 -0.05 0.00 0.01 0.00 0.00 72.50 68.19 1um4 s THR 7 CO 0.02 -0.49 0.15 -1.58 -0.69 0.00 0.00 174.62 172.03 1um4 s GLN 8 N 2.15 3.84 -0.02 4.92 0.74 -1.26 -1.21 119.66 128.82 1um4 s GLN 8 Ca 0.12 -0.14 -0.04 0.00 0.05 0.00 0.00 55.36 55.34 1um4 s GLN 8 Cb -0.18 -3.31 0.01 0.00 1.10 0.00 0.00 33.01 30.63 1um4 s GLN 8 CO 0.13 0.53 0.10 0.45 -0.55 0.00 0.00 175.29 175.95 1um4 s SER 9 N -0.31 -0.04 0.80 6.67 0.15 0.10 -4.42 113.70 116.65 1um4 s SER 9 Ca 0.12 0.04 -0.10 0.00 0.70 0.00 0.00 55.95 56.71 1um4 s SER 9 Cb -0.12 0.21 0.10 0.00 -1.71 0.00 0.00 66.02 64.50 1um4 s SER 9 CO 0.02 -0.15 1.14 -2.16 1.20 0.00 0.00 173.24 173.29 1um4 s PRO 10 N -0.46 1.76 0.14 5.44 0.04 -1.26 0.02 135.00 140.67 1um4 s PRO 10 Ca -0.05 -0.20 0.01 0.00 0.04 0.00 0.00 61.00 60.79 1um4 s PRO 10 Cb -0.03 -2.03 -0.09 0.00 0.04 0.00 0.00 34.50 32.39 1um4 s PRO 10 CO 0.00 -1.63 1.32 0.77 0.04 0.00 0.00 177.00 177.50 1um4 h SER 11 N -0.98 0.30 -3.68 6.66 0.02 -1.79 -3.40 113.55 110.68 1um4 h SER 11 Ca -0.44 -0.26 -0.36 0.00 -0.84 0.00 0.00 61.79 59.88 1um4 h SER 11 Cb 1.30 -0.09 -0.31 0.00 0.14 0.00 0.00 62.40 63.43 1um4 h SER 11 CO 0.57 1.10 -0.76 -0.44 -1.14 0.00 0.00 176.83 176.16 1um4 s SER 12 N -6.97 0.69 -0.23 3.07 0.01 -1.26 -0.83 113.70 108.18 1um4 s SER 12 Ca -0.03 -0.09 -0.03 0.00 1.31 0.00 0.00 55.95 57.11 1um4 s SER 12 Cb 0.09 -0.23 0.07 0.00 0.21 0.00 0.00 66.02 66.17 1um4 s SER 12 CO 0.84 -0.01 0.07 -0.22 0.41 0.00 0.00 173.24 174.33 1um4 s LEU 13 N 0.45 1.15 -0.19 2.44 1.98 0.07 -4.92 118.68 119.66 1um4 s LEU 13 Ca -0.05 -1.01 -0.11 0.00 -2.89 0.00 0.00 54.13 50.06 1um4 s LEU 13 Cb -0.09 -0.55 -0.05 0.00 0.66 0.00 0.00 46.19 46.16 1um4 s LEU 13 CO -0.00 -0.35 0.19 -0.94 -1.89 0.00 0.00 176.35 173.36 1um4 s SER 14 N 1.89 6.28 0.00 3.68 1.04 -1.26 -0.60 113.70 124.74 1um4 s SER 14 Ca 0.03 0.32 -0.07 0.00 0.48 0.00 0.00 55.95 56.71 1um4 s SER 14 Cb -0.17 -2.13 0.00 0.00 0.10 0.00 0.00 66.02 63.83 1um4 s SER 14 CO -0.16 0.13 0.13 0.00 0.98 0.00 0.00 173.24 174.33 1um4 s ALA 15 N 0.49 -0.30 0.62 5.32 0.00 -0.38 -4.91 121.76 122.59 1um4 s ALA 15 Ca 0.11 -0.16 -0.17 0.00 0.00 0.00 0.00 51.96 51.75 1um4 s ALA 15 Cb -0.12 0.11 -0.02 0.00 0.00 0.00 0.00 23.12 23.09 1um4 s ALA 15 CO 0.01 -0.20 1.12 -1.12 0.00 0.00 0.00 175.76 175.56 1um4 s SER 16 N -1.38 5.34 0.41 0.00 0.01 -1.26 -0.61 113.70 116.20 1um4 s SER 16 Ca -0.15 2.06 -0.27 0.00 1.31 0.00 0.00 55.95 58.91 1um4 s SER 16 Cb -0.08 -2.56 -0.09 0.00 0.21 0.00 0.00 66.02 63.50 1um4 s SER 16 CO 0.01 -1.48 1.41 -0.76 0.41 0.00 0.00 173.24 172.84 1um4 s LEU 17 N -4.48 4.23 0.00 2.44 1.43 -1.24 -2.11 118.68 118.95 1um4 s LEU 17 Ca 0.69 2.89 0.00 0.00 -1.03 0.00 0.00 54.13 56.68 1um4 s LEU 17 Cb -0.22 -3.81 0.00 0.00 0.03 0.00 0.00 46.19 42.19 1um4 s LEU 17 CO 0.36 -0.95 0.00 0.61 0.23 0.00 0.00 176.35 176.60 1um4 n GLY 18 N 0.58 1.77 3.79 -3.19 0.00 0.14 -4.88 105.19 103.40 1um4 n GLY 18 Ca 0.03 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.70 1um4 n GLY 18 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1um4 s GLU 19 N -0.18 4.11 -0.09 1.61 0.41 -0.90 -4.15 118.70 119.52 1um4 s GLU 19 Ca 0.00 1.36 -0.24 0.00 -0.41 0.00 0.00 54.97 55.68 1um4 s GLU 19 Cb 0.00 -2.35 -0.03 0.00 -1.78 0.00 0.00 34.13 29.97 1um4 s GLU 19 CO 0.00 -0.16 0.75 0.50 -0.49 0.00 0.00 175.26 175.85 1um4 s ARG 20 N -2.83 4.41 0.03 1.61 3.52 -1.25 -0.57 118.95 123.87 1um4 s ARG 20 Ca 0.61 0.94 0.04 0.00 -0.13 0.00 0.00 55.73 57.19 1um4 s ARG 20 Cb -0.17 -3.48 -0.02 0.00 -1.56 0.00 0.00 34.95 29.72 1um4 s ARG 20 CO 0.21 -0.04 -0.12 0.14 -0.81 0.00 0.00 175.30 174.69 1um4 s VAL 21 N 1.15 0.91 -0.02 7.11 -7.23 -0.64 -5.00 120.40 116.68 1um4 s VAL 21 Ca 0.39 -0.92 0.02 0.00 -1.81 0.00 0.00 61.98 59.65 1um4 s VAL 21 Cb -0.18 -0.85 0.00 0.00 0.56 0.00 0.00 36.38 35.92 1um4 s VAL 21 CO 0.18 -0.06 -0.06 -0.94 -0.31 0.00 0.00 175.10 173.91 1um4 s SER 22 N -1.11 0.78 0.01 4.85 1.04 -1.26 -0.39 113.70 117.62 1um4 s SER 22 Ca -0.01 -0.11 0.01 0.00 0.48 0.00 0.00 55.95 56.32 1um4 s SER 22 Cb -0.08 -0.19 -0.04 0.00 0.10 0.00 0.00 66.02 65.81 1um4 s SER 22 CO 0.01 0.03 0.02 -0.76 0.98 0.00 0.00 173.24 173.52 1um4 s LEU 23 N 0.21 3.61 0.02 2.42 1.43 0.12 -4.78 118.68 121.71 1um4 s LEU 23 Ca -0.02 0.01 0.07 0.00 -1.03 0.00 0.00 54.13 53.16 1um4 s LEU 23 Cb -0.07 -2.11 -0.02 0.00 0.03 0.00 0.00 46.19 44.02 1um4 s LEU 23 CO -0.00 0.26 -0.21 -0.89 0.23 0.00 0.00 176.35 175.74 1um4 s THR 24 N -1.14 1.70 -0.07 5.49 2.01 0.10 -0.85 115.64 122.88 1um4 s THR 24 Ca 0.21 -1.11 -0.00 0.00 0.31 0.00 0.00 61.69 61.10 1um4 s THR 24 Cb -0.12 -1.45 0.03 0.00 0.01 0.00 0.00 72.50 70.97 1um4 s THR 24 CO 0.12 0.30 -0.02 0.00 -0.69 0.00 0.00 174.62 174.33 1um4 s ARG 26 N 1.58 3.30 -0.03 0.00 3.52 -0.35 -0.80 118.95 126.18 1um4 s ARG 26 Ca -0.01 -0.59 -0.13 0.00 -0.13 0.00 0.00 55.73 54.87 1um4 s ARG 26 Cb -0.13 -2.71 -0.05 0.00 -1.56 0.00 0.00 34.95 30.50 1um4 s ARG 26 CO -0.04 0.35 0.36 0.00 -0.81 0.00 0.00 175.30 175.16 1um4 s ALA 27 N 0.04 3.72 -1.53 6.12 0.00 -1.20 -1.14 121.76 127.77 1um4 s ALA 27 Ca -0.02 -0.30 0.20 0.00 0.00 0.00 0.00 51.96 51.85 1um4 s ALA 27 Cb -0.14 -2.32 1.06 0.00 0.00 0.00 0.00 23.12 21.72 1um4 s ALA 27 CO 0.03 0.48 1.63 -1.13 0.00 0.00 0.00 175.76 176.78 1um4 n SER 28 N 1.95 0.00 -4.00 0.00 3.41 -0.23 -4.78 113.62 109.96 1um4 n SER 28 Ca -0.15 -0.12 -0.10 0.00 -0.26 0.00 0.00 58.87 58.25 1um4 n SER 28 Cb 0.53 -0.23 -0.07 0.00 -0.26 0.00 0.00 64.21 64.18 1um4 n SER 28 CO 0.00 0.00 0.00 -1.10 -0.16 0.00 0.00 175.04 173.78 1um4 s GLN 29 N -2.47 1.33 -0.11 4.33 -0.21 -1.26 -4.92 119.66 116.35 1um4 s GLN 29 Ca 0.21 -1.26 -0.29 0.00 0.02 0.00 0.00 55.36 54.04 1um4 s GLN 29 Cb 0.14 0.40 -0.04 0.00 1.00 0.00 0.00 33.01 34.51 1um4 s GLN 29 CO 0.30 -0.51 1.53 -2.00 -2.12 0.00 0.00 175.29 172.48 1um4 s GLU 30 N -4.01 4.15 0.00 2.91 2.56 -1.26 -4.87 118.70 118.18 1um4 s GLU 30 Ca 0.22 1.97 0.11 0.00 0.00 0.00 0.00 54.97 57.27 1um4 s GLU 30 Cb 0.02 -3.92 0.25 0.00 2.00 0.00 0.00 34.13 32.48 1um4 s GLU 30 CO 0.05 -0.85 1.15 0.44 -0.56 0.00 0.00 175.26 175.49 1um4 n ILE 31 N 5.55 0.74 -4.32 -3.70 -5.35 -1.26 -5.00 119.36 106.01 1um4 n ILE 31 Ca 0.16 -0.87 -0.36 0.00 -0.27 0.00 0.00 62.75 61.42 1um4 n ILE 31 Cb 0.44 0.69 -0.06 0.00 -1.74 0.00 0.00 39.64 38.97 1um4 n ILE 31 CO 0.00 0.00 0.00 -1.20 -1.76 0.00 0.00 176.55 173.59 1um4 n SER 32 N 0.56 -1.23 0.00 7.28 7.64 -1.26 -0.31 113.62 126.30 1um4 n SER 32 Ca 0.10 -1.16 0.00 0.00 1.01 0.00 0.00 58.87 58.82 1um4 n SER 32 Cb 0.39 -2.09 0.00 0.00 -1.01 0.00 0.00 64.21 61.50 1um4 n SER 32 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1um4 n GLY 33 N -1.69 0.69 2.48 0.23 0.00 -1.26 -4.90 105.19 100.74 1um4 n GLY 33 Ca -0.07 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.55 1um4 n GLY 33 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1um4 n TYR 34 N -2.22 2.73 -4.93 1.61 4.02 0.58 -2.23 117.16 116.71 1um4 n TYR 34 Ca 0.00 -2.98 -0.33 0.00 -0.01 0.00 0.00 57.90 54.58 1um4 n TYR 34 Cb 0.03 -2.31 -0.14 0.00 -0.02 0.00 0.00 39.34 36.90 1um4 n TYR 34 CO 0.00 0.00 0.00 -1.17 -1.01 0.00 0.00 176.86 174.68 1um4 s LEU 35 N 0.02 2.60 -0.02 7.72 2.96 -1.26 -1.37 118.68 129.32 1um4 s LEU 35 Ca 0.59 -0.30 0.07 0.00 -0.22 0.00 0.00 54.13 54.27 1um4 s LEU 35 Cb 0.16 -1.54 -0.02 0.00 0.50 0.00 0.00 46.19 45.30 1um4 s LEU 35 CO -0.07 0.27 -0.23 -0.47 -1.32 0.00 0.00 176.35 174.53 1um4 s TYR 36 N -0.28 2.43 -0.06 5.38 5.04 0.12 -0.66 117.35 129.32 1um4 s TYR 36 Ca 0.01 -0.36 0.06 0.00 -2.44 0.00 0.00 57.07 54.34 1um4 s TYR 36 Cb -0.13 -1.52 -0.01 0.00 0.35 0.00 0.00 41.96 40.65 1um4 s TYR 36 CO 0.03 0.04 -0.24 -1.58 -1.34 0.00 0.00 175.55 172.46 1um4 s TRP 37 N -0.67 2.32 0.12 4.97 0.52 0.69 0.11 118.94 127.00 1um4 s TRP 37 Ca 0.11 -0.72 0.04 0.00 0.02 0.00 0.00 56.10 55.55 1um4 s TRP 37 Cb -0.10 -1.53 -0.04 0.00 -1.15 0.00 0.00 33.47 30.65 1um4 s TRP 37 CO -0.00 -0.23 -0.11 -0.48 0.02 0.00 0.00 176.95 176.15 1um4 s LEU 38 N -0.08 2.45 -0.06 2.99 0.05 -0.03 -0.41 118.68 123.59 1um4 s LEU 38 Ca -0.05 -0.88 0.05 0.00 0.05 0.00 0.00 54.13 53.30 1um4 s LEU 38 Cb -0.14 -0.36 -0.01 0.00 -2.05 0.00 0.00 46.19 43.63 1um4 s LEU 38 CO 0.04 -0.27 -0.23 -1.58 -0.55 0.00 0.00 176.35 173.76 1um4 s GLN 39 N -3.11 2.62 -0.19 1.48 0.74 -0.52 -1.62 119.66 119.06 1um4 s GLN 39 Ca 0.10 -0.87 0.01 0.00 0.05 0.00 0.00 55.36 54.65 1um4 s GLN 39 Cb -0.01 -2.22 0.03 0.00 1.10 0.00 0.00 33.01 31.91 1um4 s GLN 39 CO 0.01 0.39 -0.14 -1.14 -0.55 0.00 0.00 175.29 173.85 1um4 s GLN 40 N -0.16 2.35 0.70 1.67 0.74 0.66 -1.30 119.66 124.32 1um4 s GLN 40 Ca -0.03 -0.81 -0.11 0.00 0.05 0.00 0.00 55.36 54.45 1um4 s GLN 40 Cb -0.14 -2.41 0.01 0.00 1.10 0.00 0.00 33.01 31.57 1um4 s GLN 40 CO 0.04 -0.34 1.09 0.15 -0.55 0.00 0.00 175.29 175.68 1um4 s LYS 41 N 1.37 2.93 0.34 1.67 -0.14 -0.41 -1.37 119.74 124.12 1um4 s LYS 41 Ca 0.01 0.52 0.11 0.00 -1.36 0.00 0.00 55.97 55.25 1um4 s LYS 41 Cb -0.15 -2.02 0.89 0.00 -1.68 0.00 0.00 37.83 34.87 1um4 s LYS 41 CO -0.10 -0.99 1.77 -1.35 -0.76 0.00 0.00 175.35 173.91 1um4 h PRO 42 N -0.63 0.58 0.00 -1.68 0.11 -1.90 0.13 132.00 128.62 1um4 h PRO 42 Ca -0.45 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.63 1um4 h PRO 42 Cb 1.24 -0.13 0.00 0.00 0.11 0.00 0.00 31.00 32.22 1um4 h PRO 42 CO 0.63 0.38 0.00 -0.40 -0.21 0.00 0.00 178.00 178.41 1um4 n ASP 43 N -4.75 0.00 0.00 -2.05 5.68 -1.26 -4.83 116.55 109.34 1um4 n ASP 43 Ca 0.25 -0.10 0.00 0.00 -0.50 0.00 0.00 54.79 54.43 1um4 n ASP 43 Cb 0.71 -0.20 0.00 0.00 -1.14 0.00 0.00 41.12 40.49 1um4 n ASP 43 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1um4 n GLY 44 N 0.00 0.13 3.70 6.12 0.00 0.47 -5.05 105.19 110.55 1um4 n GLY 44 Ca 0.09 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.69 1um4 n GLY 44 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1um4 s THR 45 N -2.00 3.06 -0.12 2.61 2.01 -1.25 -4.76 115.64 115.19 1um4 s THR 45 Ca 0.00 0.58 -0.02 0.00 0.31 0.00 0.00 61.69 62.56 1um4 s THR 45 Cb 0.00 -3.37 -0.03 0.00 0.01 0.00 0.00 72.50 69.11 1um4 s THR 45 CO 0.00 0.01 -0.05 -0.63 -0.69 0.00 0.00 174.62 173.26 1um4 s ILE 46 N 2.26 3.79 0.03 1.82 1.01 -1.26 -1.29 121.20 127.55 1um4 s ILE 46 Ca 0.71 -0.42 0.01 0.00 0.00 0.00 0.00 60.65 60.96 1um4 s ILE 46 Cb -0.39 -2.61 -0.02 0.00 0.01 0.00 0.00 42.46 39.45 1um4 s ILE 46 CO 0.31 0.54 -0.06 -1.59 0.00 0.00 0.00 174.94 174.14 1um4 s LYS 47 N -0.13 0.44 0.25 2.79 -2.85 -0.42 -4.98 119.74 114.83 1um4 s LYS 47 Ca 0.02 -0.64 -0.30 0.00 -1.00 0.00 0.00 55.97 54.05 1um4 s LYS 47 Cb -0.13 -0.18 -0.09 0.00 -2.06 0.00 0.00 37.83 35.37 1um4 s LYS 47 CO 0.03 0.03 1.06 0.50 0.10 0.00 0.00 175.35 177.06 1um4 s ARG 48 N -1.36 4.68 -0.05 1.78 3.52 -1.26 -1.43 118.95 124.83 1um4 s ARG 48 Ca -0.10 1.71 -0.07 0.00 -0.13 0.00 0.00 55.73 57.14 1um4 s ARG 48 Cb -0.09 -3.23 -0.03 0.00 -1.56 0.00 0.00 34.95 30.04 1um4 s ARG 48 CO -0.00 0.26 -0.14 1.28 -0.81 0.00 0.00 175.30 175.88 1um4 n LEU 49 N 1.52 1.23 -4.11 -0.88 4.77 0.45 -4.72 117.00 115.27 1um4 n LEU 49 Ca -0.01 0.19 -0.15 0.00 -0.03 0.00 0.00 56.01 56.02 1um4 n LEU 49 Cb 0.46 -0.45 -0.12 0.00 -2.33 0.00 0.00 43.42 40.98 1um4 n LEU 49 CO 0.53 -0.29 -0.42 -0.63 -1.33 0.00 0.00 177.39 175.24 1um4 s ILE 50 N -2.32 0.77 0.12 -0.08 -1.09 -0.86 -0.19 121.20 117.55 1um4 s ILE 50 Ca -0.13 -1.19 -0.08 0.00 -2.23 0.00 0.00 60.65 57.02 1um4 s ILE 50 Cb 0.03 -0.81 -0.01 0.00 -1.58 0.00 0.00 42.46 40.09 1um4 s ILE 50 CO 0.18 -0.33 0.21 -0.72 -1.23 0.00 0.00 174.94 173.05 1um4 s TYR 51 N -1.38 0.34 -1.97 3.97 -0.85 -0.32 -0.23 117.35 116.91 1um4 s TYR 51 Ca -0.06 -0.74 0.00 0.00 -0.52 0.00 0.00 57.07 55.74 1um4 s TYR 51 Cb -0.10 -0.11 0.00 0.00 0.38 0.00 0.00 41.96 42.13 1um4 s TYR 51 CO 0.01 -0.61 0.00 0.00 -1.52 0.00 0.00 175.55 173.43 1um4 n ALA 52 N -0.12 -0.48 0.00 9.51 0.00 -1.12 -0.94 120.51 127.36 1um4 n ALA 52 Ca -0.11 0.25 0.00 0.00 0.00 0.00 0.00 53.44 53.58 1um4 n ALA 52 Cb 0.63 -2.11 0.00 0.00 0.00 0.00 0.00 19.45 17.97 1um4 n ALA 52 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1um4 n GLY 53 N -0.71 1.13 0.00 0.00 0.00 0.17 -4.15 105.19 101.63 1um4 n GLY 53 Ca -0.23 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.79 1um4 n GLY 53 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1um4 n SER 54 N 0.87 0.09 -4.63 1.61 3.41 -1.18 -3.34 113.62 110.45 1um4 n SER 54 Ca 0.00 -1.02 -0.42 0.00 -0.26 0.00 0.00 58.87 57.18 1um4 n SER 54 Cb 0.00 0.00 -0.04 0.00 -0.26 0.00 0.00 64.21 63.91 1um4 n SER 54 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 1um4 s THR 55 N -0.02 4.81 0.08 6.66 2.01 -0.11 -4.48 115.64 124.59 1um4 s THR 55 Ca 0.00 1.43 -0.28 0.00 0.31 0.00 0.00 61.69 63.16 1um4 s THR 55 Cb 0.00 -4.14 -0.06 0.00 0.01 0.00 0.00 72.50 68.31 1um4 s THR 55 CO 0.00 -0.15 0.87 -0.22 -0.69 0.00 0.00 174.62 174.42 1um4 s LEU 56 N 2.92 4.48 0.30 4.42 2.96 -1.26 -1.17 118.68 131.33 1um4 s LEU 56 Ca 0.34 1.63 -0.29 0.00 -0.22 0.00 0.00 54.13 55.59 1um4 s LEU 56 Cb -0.15 -3.42 -0.11 0.00 0.50 0.00 0.00 46.19 43.02 1um4 s LEU 56 CO 0.10 -0.02 1.53 -0.62 -1.32 0.00 0.00 176.35 176.02 1um4 s ASP 57 N -0.07 6.44 0.64 3.68 2.15 0.73 -4.86 116.67 125.37 1um4 s ASP 57 Ca 0.43 2.91 0.37 0.00 0.43 0.00 0.00 52.55 56.69 1um4 s ASP 57 Cb -0.22 -2.64 2.07 0.00 -0.30 0.00 0.00 42.92 41.83 1um4 s ASP 57 CO 0.27 -0.85 2.23 0.77 -0.17 0.00 0.00 175.17 177.42 1um4 h SER 58 N 4.41 0.00 -0.26 -0.34 4.64 -1.94 -1.43 113.55 118.63 1um4 h SER 58 Ca -0.48 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.84 1um4 h SER 58 Cb 1.22 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.31 1um4 h SER 58 CO 0.75 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 177.32 1um4 n GLY 59 N -1.20 0.97 3.77 -0.77 0.00 -1.26 -4.91 105.19 101.79 1um4 n GLY 59 Ca -0.02 -0.58 -0.36 0.00 0.00 0.00 0.00 46.02 45.06 1um4 n GLY 59 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1um4 s VAL 60 N -1.67 5.00 0.60 1.61 1.01 -0.54 -5.08 120.40 121.32 1um4 s VAL 60 Ca 0.35 0.02 -0.19 0.00 0.00 0.00 0.00 61.98 62.16 1um4 s VAL 60 Cb 0.20 -3.17 -0.03 0.00 0.00 0.00 0.00 36.38 33.38 1um4 s VAL 60 CO 0.29 0.58 1.21 -0.81 0.00 0.00 0.00 175.10 176.37 1um4 n PRO 61 N 2.35 1.20 0.27 2.72 -0.04 -1.26 -4.86 135.00 135.38 1um4 n PRO 61 Ca -0.19 0.46 0.18 0.00 -0.04 0.00 0.00 63.50 63.91 1um4 n PRO 61 Cb 0.54 -2.42 0.93 0.00 -0.04 0.00 0.00 33.50 32.50 1um4 n PRO 61 CO 0.00 0.00 0.00 0.87 -0.04 0.00 0.00 175.50 176.33 1um4 h LYS 62 N 0.77 0.00 0.00 0.54 1.79 -1.98 -2.14 116.57 115.55 1um4 h LYS 62 Ca -0.50 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 57.97 1um4 h LYS 62 Cb 1.34 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.99 1um4 h LYS 62 CO 0.53 0.00 0.00 0.07 -1.08 0.00 0.00 179.45 178.97 1um4 h ARG 63 N 0.00 0.00 -6.00 3.15 0.11 -1.93 -3.41 114.38 106.30 1um4 h ARG 63 Ca 0.04 0.00 -0.58 0.00 0.10 0.00 0.00 59.98 59.54 1um4 h ARG 63 Cb 0.29 0.00 -0.06 0.00 1.11 0.00 0.00 29.97 31.31 1um4 h ARG 63 CO -0.00 0.00 -0.07 -0.06 0.10 0.00 0.00 179.97 179.94 1um4 s PHE 64 N -3.91 3.66 0.03 4.08 0.08 -0.81 -0.58 117.98 120.52 1um4 s PHE 64 Ca -0.04 1.10 -0.11 0.00 0.12 0.00 0.00 56.93 58.00 1um4 s PHE 64 Cb 0.10 -2.54 0.01 0.00 -0.57 0.00 0.00 43.02 40.03 1um4 s PHE 64 CO 0.34 0.37 0.23 -1.54 -0.10 0.00 0.00 175.22 174.53 1um4 s SER 65 N -0.21 -0.04 -0.01 1.36 1.04 -0.28 -4.98 113.70 110.59 1um4 s SER 65 Ca 0.29 -0.24 0.06 0.00 0.48 0.00 0.00 55.95 56.54 1um4 s SER 65 Cb -0.17 0.30 -0.02 0.00 0.10 0.00 0.00 66.02 66.23 1um4 s SER 65 CO 0.15 -0.54 -0.20 -0.83 0.98 0.00 0.00 173.24 172.81 1um4 s GLY 66 N -1.90 0.97 0.06 7.32 0.00 -1.26 -0.41 107.32 112.10 1um4 s GLY 66 Ca -0.07 -0.86 -0.02 0.00 0.00 0.00 0.00 44.72 43.76 1um4 s GLY 66 CO -0.02 -0.73 0.02 -1.35 0.00 0.00 0.00 173.10 171.02 1um4 s SER 67 N -0.53 0.41 -0.05 1.64 1.04 -0.16 -4.26 113.70 111.78 1um4 s SER 67 Ca 0.07 -0.95 0.04 0.00 0.48 0.00 0.00 55.95 55.60 1um4 s SER 67 Cb -0.08 0.23 -0.00 0.00 0.10 0.00 0.00 66.02 66.28 1um4 s SER 67 CO -0.00 -0.64 -0.17 -0.60 0.98 0.00 0.00 173.24 172.81 1um4 s ARG 68 N -3.92 1.85 -0.52 4.02 3.52 -1.26 -0.49 118.95 122.15 1um4 s ARG 68 Ca 0.08 -0.61 0.04 0.00 -0.13 0.00 0.00 55.73 55.11 1um4 s ARG 68 Cb 0.07 -1.58 0.16 0.00 -1.56 0.00 0.00 34.95 32.04 1um4 s ARG 68 CO -0.09 0.22 0.37 0.45 -0.81 0.00 0.00 175.30 175.44 1um4 s SER 69 N 0.11 3.11 1.58 -2.12 0.15 0.27 -5.00 113.70 111.79 1um4 s SER 69 Ca -0.06 -3.25 0.00 0.00 0.70 0.00 0.00 55.95 53.35 1um4 s SER 69 Cb -0.12 -0.98 0.00 0.00 -1.71 0.00 0.00 66.02 63.21 1um4 s SER 69 CO 0.03 -0.16 0.00 0.61 1.20 0.00 0.00 173.24 174.92 1um4 n GLY 70 N 2.69 2.33 0.23 9.45 0.00 -1.26 -1.16 105.19 117.48 1um4 n GLY 70 Ca 0.22 0.02 0.13 0.00 0.00 0.00 0.00 46.02 46.39 1um4 n GLY 70 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1um4 n SER 71 N 10.23 1.05 -4.69 1.61 3.41 -1.26 -4.85 113.62 119.13 1um4 n SER 71 Ca 0.00 -0.87 -0.37 0.00 -0.26 0.00 0.00 58.87 57.37 1um4 n SER 71 Cb 0.00 0.20 -0.08 0.00 -0.26 0.00 0.00 64.21 64.07 1um4 n SER 71 CO 0.00 0.00 0.00 -1.81 -0.16 0.00 0.00 175.04 173.07 1um4 s ASP 72 N -2.57 6.36 -0.08 4.04 1.01 -0.31 -3.22 116.67 121.90 1um4 s ASP 72 Ca 0.22 0.41 0.04 0.00 0.71 0.00 0.00 52.55 53.92 1um4 s ASP 72 Cb 0.19 -2.18 -0.02 0.00 1.01 0.00 0.00 42.92 41.92 1um4 s ASP 72 CO 0.56 0.02 -0.18 -0.31 0.21 0.00 0.00 175.17 175.46 1um4 s TYR 73 N 0.98 2.63 0.06 4.23 1.51 0.02 0.95 117.35 127.72 1um4 s TYR 73 Ca 0.15 -0.53 0.06 0.00 -1.01 0.00 0.00 57.07 55.74 1um4 s TYR 73 Cb -0.14 -1.68 -0.03 0.00 -0.11 0.00 0.00 41.96 40.00 1um4 s TYR 73 CO 0.06 -0.09 -0.17 -1.12 -1.11 0.00 0.00 175.55 173.11 1um4 s SER 74 N -0.18 2.07 -0.19 2.29 0.01 0.36 -0.08 113.70 117.97 1um4 s SER 74 Ca -0.01 -0.55 -0.01 0.00 1.31 0.00 0.00 55.95 56.68 1um4 s SER 74 Cb -0.13 -0.13 0.00 0.00 0.21 0.00 0.00 66.02 65.97 1um4 s SER 74 CO 0.03 0.05 -0.12 -0.22 0.41 0.00 0.00 173.24 173.40 1um4 s LEU 75 N -1.41 2.57 -0.03 2.44 2.96 -0.03 -0.99 118.68 124.18 1um4 s LEU 75 Ca 0.04 -0.48 0.07 0.00 -0.22 0.00 0.00 54.13 53.54 1um4 s LEU 75 Cb -0.09 -1.62 -0.02 0.00 0.50 0.00 0.00 46.19 44.96 1um4 s LEU 75 CO 0.02 0.01 -0.26 -0.89 -1.32 0.00 0.00 176.35 173.92 1um4 s THR 76 N 1.25 2.04 -0.32 3.68 2.01 0.45 0.15 115.64 124.90 1um4 s THR 76 Ca 0.03 -1.09 -0.03 0.00 0.31 0.00 0.00 61.69 60.90 1um4 s THR 76 Cb -0.14 -1.71 0.05 0.00 0.01 0.00 0.00 72.50 70.71 1um4 s THR 76 CO -0.05 0.57 0.05 -0.63 -0.69 0.00 0.00 174.62 173.87 1um4 s ILE 77 N -0.47 3.25 0.32 1.82 1.01 0.47 -1.12 121.20 126.49 1um4 s ILE 77 Ca 0.06 -1.35 0.07 0.00 0.00 0.00 0.00 60.65 59.43 1um4 s ILE 77 Cb -0.11 -2.89 0.31 0.00 0.01 0.00 0.00 42.46 39.78 1um4 s ILE 77 CO 0.00 -0.17 1.81 0.77 0.00 0.00 0.00 174.94 177.36 1um4 h SER 78 N 8.07 0.74 -1.99 3.58 4.64 -1.12 -1.71 113.55 125.77 1um4 h SER 78 Ca -0.21 0.07 -0.12 0.00 -0.47 0.00 0.00 61.79 61.06 1um4 h SER 78 Cb 1.07 -0.07 -0.29 0.00 -0.31 0.00 0.00 62.40 62.80 1um4 h SER 78 CO 0.57 0.31 -0.44 -0.55 -0.87 0.00 0.00 176.83 175.85 1um4 s SER 79 N -5.55 -0.00 0.16 4.97 0.15 -1.26 -3.78 113.70 108.39 1um4 s SER 79 Ca -0.11 0.47 -0.31 0.00 0.70 0.00 0.00 55.95 56.69 1um4 s SER 79 Cb 0.24 1.25 -0.11 0.00 -1.71 0.00 0.00 66.02 65.69 1um4 s SER 79 CO 0.80 -0.28 1.70 -0.22 1.20 0.00 0.00 173.24 176.44 1um4 s LEU 80 N 2.58 4.38 0.17 3.45 2.96 0.26 -4.71 118.68 127.77 1um4 s LEU 80 Ca 0.10 2.73 0.08 0.00 -0.22 0.00 0.00 54.13 56.82 1um4 s LEU 80 Cb -0.15 -3.59 -0.04 0.00 0.50 0.00 0.00 46.19 42.92 1um4 s LEU 80 CO -0.15 -0.93 -0.06 -1.61 -1.32 0.00 0.00 176.35 172.27 1um4 s GLU 81 N 1.74 2.19 0.36 1.98 2.02 -1.26 0.25 118.70 125.98 1um4 s GLU 81 Ca 0.75 -1.18 0.08 0.00 0.02 0.00 0.00 54.97 54.64 1um4 s GLU 81 Cb -0.46 -2.25 0.81 0.00 0.10 0.00 0.00 34.13 32.33 1um4 s GLU 81 CO 0.33 0.45 1.89 0.66 0.02 0.00 0.00 175.26 178.61 1um4 h SER 82 N 2.91 0.65 0.11 -0.19 4.64 -1.91 -0.81 113.55 118.95 1um4 h SER 82 Ca -0.47 0.03 0.00 0.00 -0.47 0.00 0.00 61.79 60.88 1um4 h SER 82 Cb 1.20 -0.10 0.00 0.00 -0.31 0.00 0.00 62.40 63.19 1um4 h SER 82 CO 0.55 0.35 0.00 -1.84 -0.87 0.00 0.00 176.83 175.03 1um4 n GLU 83 N -4.54 0.49 0.00 4.77 0.00 -0.95 -2.20 120.64 118.22 1um4 n GLU 83 Ca 0.16 0.04 0.14 0.00 0.00 0.00 0.00 57.16 57.50 1um4 n GLU 83 Cb 0.42 -1.50 0.63 0.00 0.00 0.00 0.00 31.44 30.99 1um4 n GLU 83 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.13 176.88 1um4 n ASP 84 N -1.09 1.06 -4.67 -1.84 8.00 -0.31 -4.81 116.55 112.89 1um4 n ASP 84 Ca 0.13 -1.32 -0.42 0.00 0.71 0.00 0.00 54.79 53.89 1um4 n ASP 84 Cb 0.09 0.00 -0.03 0.00 -0.02 0.00 0.00 41.12 41.16 1um4 n ASP 84 CO 0.00 0.00 0.00 0.12 -0.39 0.00 0.00 177.20 176.93 1um4 s PHE 85 N -2.03 1.78 -0.54 1.24 5.36 -0.94 -4.84 117.98 118.00 1um4 s PHE 85 Ca 0.40 -0.05 0.00 0.00 -0.96 0.00 0.00 56.93 56.32 1um4 s PHE 85 Cb 0.21 -4.06 0.00 0.00 -0.34 0.00 0.00 43.02 38.83 1um4 s PHE 85 CO 0.35 -4.56 0.00 0.00 -1.46 0.00 0.00 175.22 169.56 1um4 n ALA 86 N 7.03 0.00 -2.84 11.12 0.00 -1.21 -4.78 120.51 129.82 1um4 n ALA 86 Ca 0.18 0.00 -0.34 0.00 0.00 0.00 0.00 53.44 53.28 1um4 n ALA 86 Cb 0.42 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 19.77 1um4 n ALA 86 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1um4 s ASP 87 N -0.31 5.44 -0.03 0.00 1.11 -0.47 -1.06 116.67 121.36 1um4 s ASP 87 Ca 0.00 0.05 0.05 0.00 0.18 0.00 0.00 52.55 52.83 1um4 s ASP 87 Cb 0.00 -1.89 -0.03 0.00 1.07 0.00 0.00 42.92 42.07 1um4 s ASP 87 CO 0.00 0.20 -0.15 -0.31 1.18 0.00 0.00 175.17 176.09 1um4 s TYR 88 N 0.22 2.67 0.01 4.23 1.51 0.29 -0.24 117.35 126.03 1um4 s TYR 88 Ca 0.03 -0.18 0.02 0.00 -1.01 0.00 0.00 57.07 55.92 1um4 s TYR 88 Cb -0.13 -1.59 -0.01 0.00 -0.11 0.00 0.00 41.96 40.13 1um4 s TYR 88 CO 0.01 0.20 -0.07 0.71 -1.11 0.00 0.00 175.55 175.29 1um4 s TYR 89 N -0.78 0.64 0.23 2.71 2.02 -0.64 -0.10 117.35 121.43 1um4 s TYR 89 Ca 0.12 -0.20 0.05 0.00 -0.37 0.00 0.00 57.07 56.68 1um4 s TYR 89 Cb -0.11 -0.40 -0.03 0.00 -0.40 0.00 0.00 41.96 41.02 1um4 s TYR 89 CO 0.02 -0.02 0.32 0.00 -1.57 0.00 0.00 175.55 174.30 1um4 s LEU 91 N -3.88 -0.24 0.05 0.00 2.96 0.31 -1.25 118.68 116.62 1um4 s LEU 91 Ca 0.34 0.56 -0.25 0.00 -0.22 0.00 0.00 54.13 54.56 1um4 s LEU 91 Cb -0.09 0.66 -0.06 0.00 0.50 0.00 0.00 46.19 47.20 1um4 s LEU 91 CO 0.28 -0.24 0.76 -1.58 -1.32 0.00 0.00 176.35 174.26 1um4 s GLN 92 N 2.35 4.49 -0.18 1.98 -0.44 -0.58 0.11 119.66 127.39 1um4 s GLN 92 Ca 0.01 1.06 0.21 0.00 -2.50 0.00 0.00 55.36 54.14 1um4 s GLN 92 Cb -0.12 -3.36 0.48 0.00 -1.64 0.00 0.00 33.01 28.37 1um4 s GLN 92 CO -0.08 0.30 1.14 2.48 0.50 0.00 0.00 175.29 179.63 1um4 n TYR 93 N 2.75 0.98 0.04 1.67 0.18 -0.47 -3.59 117.16 118.72 1um4 n TYR 93 Ca -0.03 -1.64 -0.13 0.00 1.88 0.00 0.00 57.90 57.99 1um4 n TYR 93 Cb 0.50 -0.22 -0.14 0.00 -0.38 0.00 0.00 39.34 39.11 1um4 n TYR 93 CO 0.00 0.00 0.00 0.00 -2.08 0.00 0.00 176.86 174.78 1um4 h ALA 94 N 2.00 0.40 -2.78 -3.48 0.00 -1.82 -3.48 119.26 110.10 1um4 h ALA 94 Ca -0.10 -1.15 -0.09 0.00 0.00 0.00 0.00 54.91 53.57 1um4 h ALA 94 Cb 1.47 0.23 -0.10 0.00 0.00 0.00 0.00 17.79 19.39 1um4 h ALA 94 CO 0.21 1.27 -0.22 -1.54 0.00 0.00 0.00 179.25 178.97 1um4 s SER 95 N -6.72 -0.05 0.02 0.00 1.04 -1.26 -5.11 113.70 101.62 1um4 s SER 95 Ca -0.06 -1.00 0.00 0.00 0.48 0.00 0.00 55.95 55.37 1um4 s SER 95 Cb 0.08 0.54 -0.04 0.00 0.10 0.00 0.00 66.02 66.70 1um4 s SER 95 CO 0.84 -1.08 0.09 -0.31 0.98 0.00 0.00 173.24 173.77 1um4 s TYR 96 N -4.04 3.29 0.63 5.02 1.51 -1.26 -3.86 117.35 118.64 1um4 s TYR 96 Ca 0.25 0.19 -0.15 0.00 -1.01 0.00 0.00 57.07 56.34 1um4 s TYR 96 Cb 0.01 -1.72 -0.02 0.00 -0.11 0.00 0.00 41.96 40.12 1um4 s TYR 96 CO 0.09 0.55 1.09 -1.25 -1.11 0.00 0.00 175.55 174.92 1um4 s PRO 97 N -1.95 3.02 0.21 -1.71 0.04 -1.26 -4.93 135.00 128.42 1um4 s PRO 97 Ca 0.25 1.33 -0.30 0.00 0.04 0.00 0.00 61.00 62.33 1um4 s PRO 97 Cb -0.12 -1.98 -0.09 0.00 0.04 0.00 0.00 34.50 32.35 1um4 s PRO 97 CO 0.17 -1.06 1.23 1.03 0.04 0.00 0.00 177.00 178.41 1um4 s ARG 98 N -4.04 4.47 0.03 4.56 1.81 -1.25 -4.73 118.95 119.80 1um4 s ARG 98 Ca 0.66 1.95 0.05 0.00 -1.72 0.00 0.00 55.73 56.67 1um4 s ARG 98 Cb -0.19 -3.20 -0.02 0.00 -0.45 0.00 0.00 34.95 31.09 1um4 s ARG 98 CO 0.39 -0.11 -0.13 0.95 -0.68 0.00 0.00 175.30 175.71 1um4 s THR 99 N -0.24 1.06 0.26 0.02 -4.23 -1.24 -5.02 115.64 106.25 1um4 s THR 99 Ca 0.53 -0.89 0.07 0.00 -1.18 0.00 0.00 61.69 60.22 1um4 s THR 99 Cb -0.34 -0.95 -0.04 0.00 1.34 0.00 0.00 72.50 72.51 1um4 s THR 99 CO 0.39 0.05 0.18 -0.36 -0.54 0.00 0.00 174.62 174.34 1um4 s PHE 100 N -0.74 3.06 0.72 3.99 0.40 -1.26 -1.52 117.98 122.63 1um4 s PHE 100 Ca 0.02 -0.13 -0.11 0.00 -0.60 0.00 0.00 56.93 56.11 1um4 s PHE 100 Cb -0.07 -1.39 0.03 0.00 0.51 0.00 0.00 43.02 42.10 1um4 s PHE 100 CO 0.01 0.52 1.10 0.20 0.70 0.00 0.00 175.22 177.75 1um4 s GLY 101 N -3.83 1.62 0.00 4.36 0.00 -0.38 -4.42 107.32 104.67 1um4 s GLY 101 Ca 0.33 -0.46 0.11 0.00 0.00 0.00 0.00 44.72 44.70 1um4 s GLY 101 CO 0.24 -0.07 1.36 0.61 0.00 0.00 0.00 173.10 175.24 1um4 n GLY 102 N -3.05 -0.88 0.00 0.20 0.00 -1.26 -4.67 105.19 95.54 1um4 n GLY 102 Ca 0.07 -0.04 0.00 0.00 0.00 0.00 0.00 46.02 46.05 1um4 n GLY 102 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1um4 n GLY 103 N -0.34 -0.23 2.89 -0.02 0.00 -1.26 -5.02 105.19 101.21 1um4 n GLY 103 Ca 0.03 -1.69 -0.22 0.00 0.00 0.00 0.00 46.02 44.13 1um4 n GLY 103 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1um4 s THR 104 N -2.78 0.68 -0.35 2.61 2.01 0.86 -4.49 115.64 114.17 1um4 s THR 104 Ca 0.00 -0.15 -0.22 0.00 0.31 0.00 0.00 61.69 61.63 1um4 s THR 104 Cb 0.00 -0.71 0.00 0.00 0.01 0.00 0.00 72.50 71.81 1um4 s THR 104 CO 0.00 0.28 0.70 -0.54 -0.69 0.00 0.00 174.62 174.36 1um4 s LYS 105 N 1.23 3.74 -0.44 4.92 -0.14 -0.01 -0.54 119.74 128.49 1um4 s LYS 105 Ca -0.06 0.20 -0.17 0.00 -1.36 0.00 0.00 55.97 54.58 1um4 s LYS 105 Cb -0.14 -3.80 0.03 0.00 -1.68 0.00 0.00 37.83 32.25 1um4 s LYS 105 CO -0.02 -0.76 0.43 0.08 -0.76 0.00 0.00 175.35 174.32 1um4 s VAL 106 N 2.86 5.11 0.05 3.17 1.01 -0.22 -0.75 120.40 131.63 1um4 s VAL 106 Ca 0.27 -0.53 -0.00 0.00 0.00 0.00 0.00 61.98 61.72 1um4 s VAL 106 Cb -0.14 -4.07 -0.04 0.00 0.00 0.00 0.00 36.38 32.13 1um4 s VAL 106 CO 0.15 -0.48 0.20 -1.61 0.00 0.00 0.00 175.10 173.36 1um4 s GLU 107 N 2.05 3.40 -0.20 2.72 2.02 0.23 -3.35 118.70 125.57 1um4 s GLU 107 Ca 0.10 -0.44 -0.07 0.00 0.02 0.00 0.00 54.97 54.58 1um4 s GLU 107 Cb -0.19 -3.02 -0.04 0.00 0.10 0.00 0.00 34.13 30.98 1um4 s GLU 107 CO 0.12 0.62 0.06 0.42 0.02 0.00 0.00 175.26 176.49 1um4 s ILE 108 N -1.47 4.58 0.04 -1.63 -1.09 -1.26 -1.25 121.20 119.12 1um4 s ILE 108 Ca 0.33 -0.10 -0.20 0.00 -2.23 0.00 0.00 60.65 58.46 1um4 s ILE 108 Cb -0.13 -3.08 -0.06 0.00 -1.58 0.00 0.00 42.46 37.61 1um4 s ILE 108 CO 0.26 0.42 0.57 -0.54 -1.23 0.00 0.00 174.94 174.43 1um4 s LYS 109 N 0.76 4.25 0.36 2.79 1.02 0.22 -4.87 119.74 124.26 1um4 s LYS 109 Ca 0.03 0.72 -0.03 0.00 0.02 0.00 0.00 55.97 56.71 1um4 s LYS 109 Cb -0.13 -3.28 0.01 0.00 -0.52 0.00 0.00 37.83 33.90 1um4 s LYS 109 CO 0.02 0.52 0.51 -0.98 -0.92 0.00 0.00 175.35 174.50 1um4 s ARG 110 N -0.69 1.98 0.72 1.68 1.70 -1.26 -3.64 118.95 119.43 1um4 s ARG 110 Ca 0.30 -1.76 -0.12 0.00 -0.47 0.00 0.00 55.73 53.68 1um4 s ARG 110 Cb -0.19 0.46 0.03 0.00 -0.57 0.00 0.00 34.95 34.68 1um4 s ARG 110 CO 0.18 -0.83 1.09 0.95 -1.08 0.00 0.00 175.30 175.60 1um4 s THR 111 N -2.90 3.48 0.41 4.99 -4.23 -1.26 -4.95 115.64 111.18 1um4 s THR 111 Ca 0.29 0.54 -0.26 0.00 -1.18 0.00 0.00 61.69 61.08 1um4 s THR 111 Cb -0.01 -3.08 -0.09 0.00 1.34 0.00 0.00 72.50 70.66 1um4 s THR 111 CO 0.20 -0.57 1.30 -0.69 -0.54 0.00 0.00 174.62 174.32 1um4 s VAL 112 N -2.78 2.61 -0.06 2.29 1.01 -1.26 -4.76 120.40 117.44 1um4 s VAL 112 Ca 0.62 0.55 -0.03 0.00 0.00 0.00 0.00 61.98 63.12 1um4 s VAL 112 Cb -0.17 -3.32 0.04 0.00 0.00 0.00 0.00 36.38 32.93 1um4 s VAL 112 CO 0.52 0.08 0.12 0.00 0.00 0.00 0.00 175.10 175.81 1um4 s ALA 113 N -1.27 -0.04 0.40 5.51 0.00 0.85 -4.91 121.76 122.29 1um4 s ALA 113 Ca 0.57 0.45 -0.24 0.00 0.00 0.00 0.00 51.96 52.74 1um4 s ALA 113 Cb -0.38 -0.66 -0.09 0.00 0.00 0.00 0.00 23.12 21.99 1um4 s ALA 113 CO 0.49 -0.44 1.05 0.00 0.00 0.00 0.00 175.76 176.86 1um4 s ALA 114 N 1.98 3.10 0.55 0.00 0.00 -1.26 -0.94 121.76 125.18 1um4 s ALA 114 Ca 0.01 0.71 -0.15 0.00 0.00 0.00 0.00 51.96 52.53 1um4 s ALA 114 Cb -0.12 -3.28 -0.06 0.00 0.00 0.00 0.00 23.12 19.66 1um4 s ALA 114 CO -0.05 -0.22 1.00 -1.25 0.00 0.00 0.00 175.76 175.25 1um4 s PRO 115 N -2.46 3.79 -0.07 0.00 0.04 -1.26 -4.62 135.00 130.42 1um4 s PRO 115 Ca 0.57 0.95 -0.15 0.00 0.04 0.00 0.00 61.00 62.41 1um4 s PRO 115 Cb -0.22 -2.11 -0.05 0.00 0.04 0.00 0.00 34.50 32.16 1um4 s PRO 115 CO 0.28 -0.41 0.38 -1.12 0.04 0.00 0.00 177.00 176.17 1um4 s SER 116 N -3.25 6.67 -0.15 6.66 0.01 -0.79 -4.84 113.70 118.01 1um4 s SER 116 Ca 0.59 0.79 -0.02 0.00 1.31 0.00 0.00 55.95 58.62 1um4 s SER 116 Cb -0.11 -2.23 -0.02 0.00 0.21 0.00 0.00 66.02 63.87 1um4 s SER 116 CO 0.36 0.21 -0.10 -0.69 0.41 0.00 0.00 173.24 173.44 1um4 s VAL 117 N -0.35 3.29 0.04 3.43 1.01 -1.26 -0.39 120.40 126.17 1um4 s VAL 117 Ca 0.22 -0.57 0.05 0.00 0.00 0.00 0.00 61.98 61.68 1um4 s VAL 117 Cb -0.15 -2.41 -0.02 0.00 0.00 0.00 0.00 36.38 33.79 1um4 s VAL 117 CO 0.10 0.50 -0.15 -0.36 0.00 0.00 0.00 175.10 175.19 1um4 s PHE 118 N 0.52 1.33 0.02 5.22 0.08 0.12 -4.97 117.98 120.30 1um4 s PHE 118 Ca -0.07 -0.36 0.06 0.00 0.12 0.00 0.00 56.93 56.69 1um4 s PHE 118 Cb -0.15 -0.79 -0.02 0.00 -0.57 0.00 0.00 43.02 41.49 1um4 s PHE 118 CO 0.04 0.05 -0.18 -1.50 -0.10 0.00 0.00 175.22 173.52 1um4 s ILE 119 N -0.84 1.46 -0.11 0.64 2.07 -1.26 0.29 121.20 123.45 1um4 s ILE 119 Ca 0.03 -0.99 0.01 0.00 -1.41 0.00 0.00 60.65 58.29 1um4 s ILE 119 Cb -0.08 -1.25 0.02 0.00 0.13 0.00 0.00 42.46 41.27 1um4 s ILE 119 CO 0.01 0.24 -0.13 -0.36 -1.91 0.00 0.00 174.94 172.79 1um4 s PHE 120 N -0.66 1.85 0.76 3.50 0.08 0.10 -5.01 117.98 118.60 1um4 s PHE 120 Ca 0.06 -0.91 -0.11 0.00 0.12 0.00 0.00 56.93 56.09 1um4 s PHE 120 Cb -0.08 -1.38 0.04 0.00 -0.57 0.00 0.00 43.02 41.04 1um4 s PHE 120 CO 0.01 -0.51 1.09 -2.14 -0.10 0.00 0.00 175.22 173.57 1um4 s PRO 121 N 1.22 2.43 0.62 0.24 0.02 -1.26 -1.79 135.00 136.48 1um4 s PRO 121 Ca -0.02 0.63 -0.18 0.00 0.02 0.00 0.00 61.00 61.45 1um4 s PRO 121 Cb -0.14 -1.96 -0.02 0.00 0.02 0.00 0.00 34.50 32.40 1um4 s PRO 121 CO -0.04 -1.38 1.18 -2.14 -0.33 0.00 0.00 177.00 174.29 1um4 s PRO 122 N -5.20 2.83 0.52 5.54 0.02 -1.20 -4.82 135.00 132.69 1um4 s PRO 122 Ca 0.60 1.72 -0.17 0.00 0.02 0.00 0.00 61.00 63.16 1um4 s PRO 122 Cb -0.13 -1.92 -0.07 0.00 0.02 0.00 0.00 34.50 32.39 1um4 s PRO 122 CO 0.54 -1.29 1.01 -1.54 -0.33 0.00 0.00 177.00 175.39 1um4 s SER 123 N -1.86 6.37 0.36 2.53 1.04 -1.26 -4.94 113.70 115.95 1um4 s SER 123 Ca 0.75 1.70 0.09 0.00 0.48 0.00 0.00 55.95 58.96 1um4 s SER 123 Cb -0.28 -2.53 0.69 0.00 0.10 0.00 0.00 66.02 64.01 1um4 s SER 123 CO 0.36 -0.76 1.86 0.44 0.98 0.00 0.00 173.24 176.12 1um4 h ASP 124 N 0.97 0.24 -0.34 7.02 3.32 -1.99 -2.05 116.42 123.58 1um4 h ASP 124 Ca -0.47 -0.06 0.03 0.00 0.02 0.00 0.00 57.03 56.55 1um4 h ASP 124 Cb 1.20 -0.06 -0.03 0.00 0.22 0.00 0.00 39.33 40.65 1um4 h ASP 124 CO 0.60 0.45 0.14 -0.08 -1.72 0.00 0.00 179.24 178.63 1um4 h GLU 125 N 0.23 0.29 -0.55 3.56 4.81 -2.00 -1.92 114.58 118.99 1um4 h GLU 125 Ca 0.04 -0.02 -0.10 0.00 -0.13 0.00 0.00 59.36 59.15 1um4 h GLU 125 Cb 0.48 -0.06 -0.02 0.00 0.63 0.00 0.00 28.75 29.78 1um4 h GLU 125 CO 0.03 0.19 -0.07 0.37 -0.73 0.00 0.00 179.01 178.81 1um4 h GLN 126 N 0.29 1.00 -0.92 1.92 4.15 -1.78 -3.00 115.11 116.78 1um4 h GLN 126 Ca 0.15 -0.34 0.09 0.00 0.77 0.00 0.00 58.65 59.32 1um4 h GLN 126 Cb 0.11 -0.08 -0.07 0.00 0.21 0.00 0.00 27.48 27.64 1um4 h GLN 126 CO -0.14 1.02 0.57 -0.07 -1.93 0.00 0.00 178.83 178.28 1um4 h LEU 127 N 0.90 0.87 -2.25 -2.39 3.38 -0.82 0.39 115.31 115.39 1um4 h LEU 127 Ca 0.15 0.03 0.00 0.00 0.09 0.00 0.00 57.88 58.15 1um4 h LEU 127 Cb 0.62 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 41.22 1um4 h LEU 127 CO 0.04 0.51 0.03 0.50 0.09 0.00 0.00 178.44 179.61 1um4 h LYS 128 N 0.98 0.00 0.05 1.13 3.64 -1.22 -0.86 116.57 120.29 1um4 h LYS 128 Ca 0.43 0.00 -0.24 0.00 -1.27 0.00 0.00 60.65 59.57 1um4 h LYS 128 Cb 0.31 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 32.11 1um4 h LYS 128 CO -0.22 0.00 -1.10 0.77 -2.27 0.00 0.00 179.45 176.63 1um4 h SER 129 N 0.00 0.16 0.00 4.20 0.02 -0.27 -3.48 113.55 114.18 1um4 h SER 129 Ca 0.00 -0.18 0.00 0.00 -0.84 0.00 0.00 61.79 60.77 1um4 h SER 129 Cb 0.06 -0.05 0.00 0.00 0.14 0.00 0.00 62.40 62.55 1um4 h SER 129 CO 0.00 1.14 0.00 0.61 -1.14 0.00 0.00 176.83 177.44 1um4 n GLY 130 N 1.42 1.42 3.28 -3.77 0.00 -0.33 -5.08 105.19 102.13 1um4 n GLY 130 Ca -0.04 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.76 1um4 n GLY 130 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1um4 s THR 131 N -2.00 1.64 -0.10 2.61 2.01 -1.26 -0.64 115.64 117.90 1um4 s THR 131 Ca 0.00 -1.57 0.02 0.00 0.31 0.00 0.00 61.69 60.45 1um4 s THR 131 Cb 0.00 -1.53 0.01 0.00 0.01 0.00 0.00 72.50 70.99 1um4 s THR 131 CO 0.00 -0.12 -0.15 0.00 -0.69 0.00 0.00 174.62 173.66 1um4 s ALA 132 N -1.32 1.64 -0.19 7.40 0.00 0.14 -3.87 121.76 125.55 1um4 s ALA 132 Ca 0.07 -0.69 -0.03 0.00 0.00 0.00 0.00 51.96 51.30 1um4 s ALA 132 Cb -0.09 -0.80 -0.01 0.00 0.00 0.00 0.00 23.12 22.22 1um4 s ALA 132 CO 0.04 -0.05 -0.06 -1.12 0.00 0.00 0.00 175.76 174.57 1um4 s SER 133 N 0.95 4.29 -0.24 0.00 0.01 -1.26 -0.72 113.70 116.73 1um4 s SER 133 Ca -0.08 -0.35 -0.06 0.00 1.31 0.00 0.00 55.95 56.78 1um4 s SER 133 Cb -0.15 -1.72 -0.02 0.00 0.21 0.00 0.00 66.02 64.35 1um4 s SER 133 CO -0.01 0.04 0.02 -0.69 0.41 0.00 0.00 173.24 173.01 1um4 s VAL 134 N 1.13 3.85 -0.17 3.43 1.01 0.93 -3.26 120.40 127.32 1um4 s VAL 134 Ca 0.01 -0.35 -0.05 0.00 0.00 0.00 0.00 61.98 61.59 1um4 s VAL 134 Cb -0.15 -2.79 -0.03 0.00 0.00 0.00 0.00 36.38 33.41 1um4 s VAL 134 CO -0.01 0.36 0.01 -0.69 0.00 0.00 0.00 175.10 174.77 1um4 s VAL 135 N 1.54 4.31 -0.14 2.92 1.01 -0.74 -0.21 120.40 129.10 1um4 s VAL 135 Ca 0.06 -0.21 -0.01 0.00 0.00 0.00 0.00 61.98 61.83 1um4 s VAL 135 Cb -0.15 -2.91 -0.01 0.00 0.00 0.00 0.00 36.38 33.30 1um4 s VAL 135 CO 0.00 0.48 -0.12 0.00 0.00 0.00 0.00 175.10 175.46 1um4 s LEU 137 N 0.50 2.60 -0.32 0.00 2.96 0.14 -0.39 118.68 124.17 1um4 s LEU 137 Ca -0.09 -0.40 -0.06 0.00 -0.22 0.00 0.00 54.13 53.36 1um4 s LEU 137 Cb -0.16 -1.59 0.03 0.00 0.50 0.00 0.00 46.19 44.97 1um4 s LEU 137 CO 0.04 0.12 0.09 -0.76 -1.32 0.00 0.00 176.35 174.52 1um4 s LEU 138 N 0.60 4.10 -0.11 -0.68 1.02 0.50 -0.70 118.68 123.40 1um4 s LEU 138 Ca -0.08 -0.97 -0.01 0.00 0.02 0.00 0.00 54.13 53.09 1um4 s LEU 138 Cb -0.16 -1.87 -0.03 0.00 0.02 0.00 0.00 46.19 44.16 1um4 s LEU 138 CO 0.03 -0.27 -0.07 0.21 0.02 0.00 0.00 176.35 176.27 1um4 s ASN 139 N 1.44 4.58 -1.01 2.29 2.47 0.48 -0.39 114.94 124.79 1um4 s ASN 139 Ca 0.00 -0.12 -0.13 0.00 0.42 0.00 0.00 52.86 53.03 1um4 s ASN 139 Cb -0.19 -1.49 -0.01 0.00 -1.45 0.00 0.00 41.25 38.12 1um4 s ASN 139 CO 0.02 0.25 0.76 0.59 -3.72 0.00 0.00 177.10 175.00 1um4 n ASN 140 N 2.97 -5.81 -4.59 -4.21 3.02 -0.76 -1.88 115.26 104.01 1um4 n ASN 140 Ca -0.18 -0.82 -0.26 0.00 -0.03 0.00 0.00 54.58 53.30 1um4 n ASN 140 Cb 0.53 -3.58 -0.10 0.00 -0.61 0.00 0.00 39.78 36.02 1um4 n ASN 140 CO 0.00 0.00 0.00 0.72 -2.62 0.00 0.00 177.26 175.36 1um4 s PHE 141 N -3.30 2.47 -0.27 3.10 -0.71 0.27 -4.57 117.98 114.97 1um4 s PHE 141 Ca 0.32 -0.49 -0.23 0.00 -1.04 0.00 0.00 56.93 55.49 1um4 s PHE 141 Cb -0.11 -1.46 0.07 0.00 -1.21 0.00 0.00 43.02 40.32 1um4 s PHE 141 CO 0.84 0.53 0.72 -0.47 -1.34 0.00 0.00 175.22 175.49 1um4 s TYR 142 N -2.58 -0.85 0.81 3.49 5.04 -0.12 -0.55 117.35 122.59 1um4 s TYR 142 Ca 0.34 1.97 -0.14 0.00 -2.44 0.00 0.00 57.07 56.80 1um4 s TYR 142 Cb 0.02 0.35 0.20 0.00 0.35 0.00 0.00 41.96 42.88 1um4 s TYR 142 CO 0.18 -0.41 0.84 -0.35 -1.34 0.00 0.00 175.55 174.47 1um4 n PRO 143 N 3.06 -1.95 0.06 4.97 -0.04 -1.26 -0.11 135.00 139.72 1um4 n PRO 143 Ca -0.15 -1.33 -0.00 0.00 -0.04 0.00 0.00 63.50 61.98 1um4 n PRO 143 Cb 0.56 -1.10 0.29 0.00 -0.04 0.00 0.00 33.50 33.21 1um4 n PRO 143 CO 0.00 0.00 0.00 -0.09 -0.04 0.00 0.00 175.50 175.37 1um4 h ARG 144 N 0.00 0.38 -6.22 0.54 1.12 -1.98 -3.44 114.38 104.78 1um4 h ARG 144 Ca -0.30 -0.11 -0.65 0.00 -1.11 0.00 0.00 59.98 57.81 1um4 h ARG 144 Cb 0.88 -0.04 0.01 0.00 -0.01 0.00 0.00 29.97 30.81 1um4 h ARG 144 CO 0.20 0.54 1.08 0.39 -3.11 0.00 0.00 179.97 179.08 1um4 n GLU 145 N -4.20 1.85 -3.67 0.20 4.71 -1.26 -4.94 120.64 113.33 1um4 n GLU 145 Ca -0.00 0.67 -0.15 0.00 -0.01 0.00 0.00 57.16 57.67 1um4 n GLU 145 Cb 0.33 -2.51 -0.08 0.00 -1.01 0.00 0.00 31.44 28.16 1um4 n GLU 145 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 1um4 s ALA 146 N 4.27 -1.23 -0.12 0.62 0.00 -1.26 -4.52 121.76 119.52 1um4 s ALA 146 Ca 0.96 0.98 0.03 0.00 0.00 0.00 0.00 51.96 53.92 1um4 s ALA 146 Cb -0.79 -0.23 0.00 0.00 0.00 0.00 0.00 23.12 22.10 1um4 s ALA 146 CO 0.55 -0.29 -0.22 0.21 0.00 0.00 0.00 175.76 176.01 1um4 s LYS 147 N -0.79 3.06 -0.12 0.00 2.20 0.05 -4.99 119.74 119.16 1um4 s LYS 147 Ca -0.09 -0.86 0.01 0.00 -0.36 0.00 0.00 55.97 54.68 1um4 s LYS 147 Cb -0.03 -2.37 0.02 0.00 -1.51 0.00 0.00 37.83 33.93 1um4 s LYS 147 CO 0.05 0.11 -0.14 0.08 -0.36 0.00 0.00 175.35 175.09 1um4 s VAL 148 N 0.51 1.50 0.09 4.02 1.01 -1.26 -0.25 120.40 126.02 1um4 s VAL 148 Ca -0.14 -0.62 0.10 0.00 0.00 0.00 0.00 61.98 61.32 1um4 s VAL 148 Cb -0.17 -1.39 -0.03 0.00 0.00 0.00 0.00 36.38 34.79 1um4 s VAL 148 CO 0.05 0.44 -0.25 -1.10 0.00 0.00 0.00 175.10 174.24 1um4 s GLN 149 N 1.21 1.45 -0.06 2.72 -0.21 0.44 -4.95 119.66 120.25 1um4 s GLN 149 Ca -0.02 -1.20 0.02 0.00 0.02 0.00 0.00 55.36 54.19 1um4 s GLN 149 Cb -0.14 -1.77 -0.03 0.00 1.00 0.00 0.00 33.01 32.07 1um4 s GLN 149 CO -0.05 0.43 -0.11 -1.58 -2.12 0.00 0.00 175.29 171.86 1um4 s TRP 150 N -0.98 2.82 -0.04 0.91 0.52 -1.26 0.29 118.94 121.20 1um4 s TRP 150 Ca 0.11 -0.09 0.02 0.00 0.02 0.00 0.00 56.10 56.17 1um4 s TRP 150 Cb -0.10 -1.68 0.01 0.00 -1.15 0.00 0.00 33.47 30.55 1um4 s TRP 150 CO 0.04 0.24 -0.09 0.15 0.02 0.00 0.00 176.95 177.31 1um4 s LYS 151 N -0.72 1.21 -0.21 4.98 1.02 -0.15 0.37 119.74 126.24 1um4 s LYS 151 Ca 0.11 -0.31 0.02 0.00 0.02 0.00 0.00 55.97 55.81 1um4 s LYS 151 Cb -0.11 -1.08 0.04 0.00 -0.52 0.00 0.00 37.83 36.16 1um4 s LYS 151 CO 0.01 0.05 -0.16 0.08 -0.92 0.00 0.00 175.35 174.41 1um4 s VAL 152 N 0.49 2.08 -1.41 3.17 1.01 -0.57 -0.31 120.40 124.84 1um4 s VAL 152 Ca -0.09 -1.19 -0.04 0.00 0.00 0.00 0.00 61.98 60.66 1um4 s VAL 152 Cb -0.12 -2.00 0.03 0.00 0.00 0.00 0.00 36.38 34.28 1um4 s VAL 152 CO 0.02 0.32 0.64 0.47 0.00 0.00 0.00 175.10 176.54 1um4 n ASP 153 N 4.56 -1.56 0.00 3.32 8.00 0.11 -1.38 116.55 129.60 1um4 n ASP 153 Ca -0.18 -0.90 0.00 0.00 0.71 0.00 0.00 54.79 54.42 1um4 n ASP 153 Cb 0.47 -3.53 0.00 0.00 -0.02 0.00 0.00 41.12 38.04 1um4 n ASP 153 CO 0.00 0.00 0.00 -3.20 -0.39 0.00 0.00 177.20 173.61 1um4 n ASN 154 N -2.96 -1.13 -4.64 -2.24 4.05 -1.26 -4.99 115.26 102.08 1um4 n ASN 154 Ca -0.22 0.00 -0.38 0.00 0.45 0.00 0.00 54.58 54.43 1um4 n ASN 154 Cb 0.64 -1.58 -0.08 0.00 1.23 0.00 0.00 39.78 39.99 1um4 n ASN 154 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21 1um4 s ALA 155 N -2.12 3.57 0.17 5.20 0.00 -0.48 -5.01 121.76 123.10 1um4 s ALA 155 Ca 0.00 -0.70 -0.32 0.00 0.00 0.00 0.00 51.96 50.94 1um4 s ALA 155 Cb 0.00 -2.61 -0.10 0.00 0.00 0.00 0.00 23.12 20.41 1um4 s ALA 155 CO 0.00 -0.42 1.61 -1.17 0.00 0.00 0.00 175.76 175.78 1um4 s LEU 156 N 1.55 4.37 0.35 0.00 0.20 -1.26 -1.51 118.68 122.37 1um4 s LEU 156 Ca 0.15 2.68 -0.06 0.00 0.69 0.00 0.00 54.13 57.59 1um4 s LEU 156 Cb -0.15 -3.59 -0.05 0.00 -0.43 0.00 0.00 46.19 41.96 1um4 s LEU 156 CO 0.08 -0.86 0.65 -1.10 -0.29 0.00 0.00 176.35 174.83 1um4 s GLN 157 N 1.16 3.67 -0.18 1.98 -1.52 0.16 -4.95 119.66 119.98 1um4 s GLN 157 Ca 0.71 0.16 -0.12 0.00 -1.95 0.00 0.00 55.36 54.16 1um4 s GLN 157 Cb -0.45 -2.54 0.05 0.00 -0.22 0.00 0.00 33.01 29.85 1um4 s GLN 157 CO 0.31 0.09 0.45 0.45 -0.25 0.00 0.00 175.29 176.35 1um4 s SER 158 N -3.29 -0.54 0.00 5.90 0.15 -1.26 -4.66 113.70 110.00 1um4 s SER 158 Ca 0.46 0.95 0.00 0.00 0.70 0.00 0.00 55.95 58.07 1um4 s SER 158 Cb -0.10 0.88 0.00 0.00 -1.71 0.00 0.00 66.02 65.09 1um4 s SER 158 CO 0.32 -0.18 0.00 0.61 1.20 0.00 0.00 173.24 175.19 1um4 n GLY 159 N 3.71 1.90 0.91 9.45 0.00 -1.26 -4.87 105.19 115.05 1um4 n GLY 159 Ca -0.19 0.00 0.03 0.00 0.00 0.00 0.00 46.02 45.85 1um4 n GLY 159 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1um4 n ASN 160 N 0.00 2.98 -4.02 1.61 0.23 -1.26 -4.99 115.26 109.80 1um4 n ASN 160 Ca 0.00 -3.41 -0.11 0.00 -0.53 0.00 0.00 54.58 50.53 1um4 n ASN 160 Cb 0.00 -0.57 -0.11 0.00 -2.08 0.00 0.00 39.78 37.01 1um4 n ASN 160 CO 0.00 0.00 0.00 -0.94 -0.93 0.00 0.00 177.26 175.39 1um4 s SER 161 N -2.37 0.52 0.02 0.53 1.04 -1.26 -1.15 113.70 111.04 1um4 s SER 161 Ca 0.42 -0.52 0.02 0.00 0.48 0.00 0.00 55.95 56.35 1um4 s SER 161 Cb 0.37 0.07 -0.02 0.00 0.10 0.00 0.00 66.02 66.54 1um4 s SER 161 CO 0.03 -0.26 -0.07 -1.10 0.98 0.00 0.00 173.24 172.83 1um4 s GLN 162 N -1.51 0.48 0.18 4.02 -0.21 -0.52 -4.95 119.66 117.14 1um4 s GLN 162 Ca -0.13 -0.54 0.09 0.00 0.02 0.00 0.00 55.36 54.79 1um4 s GLN 162 Cb -0.10 -0.32 -0.04 0.00 1.00 0.00 0.00 33.01 33.55 1um4 s GLN 162 CO -0.00 0.07 -0.18 -1.83 -2.12 0.00 0.00 175.29 171.23 1um4 s GLU 163 N -1.04 1.31 0.02 2.91 -1.05 -1.26 -0.47 118.70 119.11 1um4 s GLU 163 Ca -0.06 -1.45 0.03 0.00 -0.15 0.00 0.00 54.97 53.34 1um4 s GLU 163 Cb -0.07 -1.33 -0.01 0.00 -0.44 0.00 0.00 34.13 32.27 1um4 s GLU 163 CO 0.00 0.26 -0.08 0.45 0.95 0.00 0.00 175.26 176.84 1um4 s SER 164 N -2.80 0.96 0.01 0.83 0.15 -0.53 -4.98 113.70 107.34 1um4 s SER 164 Ca 0.17 -0.33 0.04 0.00 0.70 0.00 0.00 55.95 56.54 1um4 s SER 164 Cb -0.05 -0.05 -0.01 0.00 -1.71 0.00 0.00 66.02 64.20 1um4 s SER 164 CO 0.07 -0.03 -0.14 -0.69 1.20 0.00 0.00 173.24 173.66 1um4 s VAL 165 N -0.70 1.08 0.69 4.45 1.01 -1.26 -0.99 120.40 124.67 1um4 s VAL 165 Ca -0.02 -0.71 -0.08 0.00 0.00 0.00 0.00 61.98 61.17 1um4 s VAL 165 Cb -0.06 -0.92 0.04 0.00 0.00 0.00 0.00 36.38 35.44 1um4 s VAL 165 CO 0.00 0.20 1.02 0.42 0.00 0.00 0.00 175.10 176.75 1um4 s THR 166 N -0.49 2.77 0.68 3.92 -4.23 -0.49 -5.00 115.64 112.81 1um4 s THR 166 Ca 0.04 -0.05 -0.08 0.00 -1.18 0.00 0.00 61.69 60.42 1um4 s THR 166 Cb -0.06 -3.19 0.04 0.00 1.34 0.00 0.00 72.50 70.63 1um4 s THR 166 CO 0.00 -0.21 1.01 -1.61 -0.54 0.00 0.00 174.62 173.27 1um4 s GLU 167 N -5.25 2.53 0.26 3.99 0.41 -1.26 -4.58 118.70 114.80 1um4 s GLU 167 Ca 0.58 0.00 -0.30 0.00 -0.41 0.00 0.00 54.97 54.85 1um4 s GLU 167 Cb -0.11 -2.15 -0.14 0.00 -1.78 0.00 0.00 34.13 29.96 1um4 s GLU 167 CO 0.46 -1.07 1.23 1.04 -0.49 0.00 0.00 175.26 176.44 1um4 n GLN 168 N -2.88 1.69 -1.98 1.61 6.02 -1.26 -4.74 117.38 115.84 1um4 n GLN 168 Ca 0.07 0.60 -0.41 0.00 -0.01 0.00 0.00 57.00 57.24 1um4 n GLN 168 Cb 0.59 -2.13 -0.02 0.00 1.02 0.00 0.00 30.24 29.70 1um4 n GLN 168 CO 0.00 0.00 0.00 0.34 -1.01 0.00 0.00 177.06 176.39 1um4 s ASP 169 N -0.10 6.60 0.56 1.08 2.15 0.11 -4.86 116.67 122.21 1um4 s ASP 169 Ca 0.64 2.79 0.34 0.00 0.43 0.00 0.00 52.55 56.75 1um4 s ASP 169 Cb -0.69 -2.64 1.50 0.00 -0.30 0.00 0.00 42.92 40.78 1um4 s ASP 169 CO 0.55 -0.70 2.04 0.77 -0.17 0.00 0.00 175.17 177.66 1um4 h SER 170 N 3.94 0.00 0.00 -0.34 4.64 -1.90 -0.29 113.55 119.61 1um4 h SER 170 Ca -0.48 0.00 -0.40 0.00 -0.47 0.00 0.00 61.79 60.44 1um4 h SER 170 Cb 1.23 0.00 -0.07 0.00 -0.31 0.00 0.00 62.40 63.25 1um4 h SER 170 CO 0.70 0.04 -2.47 0.29 -0.87 0.00 0.00 176.83 174.51 1um4 n LYS 171 N -3.17 0.65 0.00 4.77 5.02 -1.26 -2.23 118.16 121.93 1um4 n LYS 171 Ca -0.00 0.17 0.00 0.00 -2.02 0.00 0.00 58.31 56.46 1um4 n LYS 171 Cb 0.28 -1.52 0.00 0.00 -0.02 0.00 0.00 35.03 33.76 1um4 n LYS 171 CO 0.00 0.00 0.00 -0.40 -0.52 0.00 0.00 177.40 176.48 1um4 n ASP 172 N -3.40 1.67 -1.57 4.39 5.68 -1.24 -4.90 116.55 117.18 1um4 n ASP 172 Ca -0.47 -1.72 -0.19 0.00 -0.50 0.00 0.00 54.79 51.91 1um4 n ASP 172 Cb 0.98 0.00 -0.08 0.00 -1.14 0.00 0.00 41.12 40.88 1um4 n ASP 172 CO 0.00 0.00 0.00 -1.20 -1.33 0.00 0.00 177.20 174.67 1um4 n SER 173 N -0.36 -5.05 -4.93 -1.12 7.64 -0.12 -4.90 113.62 104.79 1um4 n SER 173 Ca 0.00 0.47 -0.20 0.00 1.01 0.00 0.00 58.87 60.14 1um4 n SER 173 Cb 0.20 -4.50 0.05 0.00 -1.01 0.00 0.00 64.21 58.95 1um4 n SER 173 CO 0.00 0.00 0.00 0.42 -3.01 0.00 0.00 175.04 172.45 1um4 s THR 174 N -2.63 2.53 0.31 0.44 -4.23 -1.26 -4.43 115.64 106.37 1um4 s THR 174 Ca 0.00 -0.78 0.10 0.00 -1.18 0.00 0.00 61.69 59.83 1um4 s THR 174 Cb 0.00 -2.76 -0.05 0.00 1.34 0.00 0.00 72.50 71.03 1um4 s THR 174 CO 0.00 0.00 -0.04 -0.31 -0.54 0.00 0.00 174.62 173.73 1um4 s TYR 175 N -2.74 2.53 0.02 3.99 1.51 0.28 0.06 117.35 123.00 1um4 s TYR 175 Ca 0.60 -0.36 0.01 0.00 -1.01 0.00 0.00 57.07 56.31 1um4 s TYR 175 Cb -0.08 -1.30 -0.02 0.00 -0.11 0.00 0.00 41.96 40.45 1um4 s TYR 175 CO 0.39 0.57 -0.06 -1.12 -1.11 0.00 0.00 175.55 174.22 1um4 s SER 176 N -3.66 0.61 -0.00 2.29 0.01 -1.26 -0.57 113.70 111.12 1um4 s SER 176 Ca 0.33 -0.38 -0.01 0.00 1.31 0.00 0.00 55.95 57.20 1um4 s SER 176 Cb -0.03 0.02 -0.00 0.00 0.21 0.00 0.00 66.02 66.22 1um4 s SER 176 CO 0.18 -0.14 0.01 -0.22 0.41 0.00 0.00 173.24 173.49 1um4 s LEU 177 N -1.05 1.98 -0.02 2.44 0.20 0.48 -1.39 118.68 121.31 1um4 s LEU 177 Ca -0.07 -0.08 0.06 0.00 0.69 0.00 0.00 54.13 54.73 1um4 s LEU 177 Cb -0.07 0.09 -0.02 0.00 -0.43 0.00 0.00 46.19 45.76 1um4 s LEU 177 CO -0.00 -0.08 -0.21 -0.94 -0.29 0.00 0.00 176.35 174.84 1um4 s SER 178 N -0.33 3.51 -0.14 3.68 1.04 -0.16 -0.37 113.70 120.92 1um4 s SER 178 Ca -0.04 -0.37 0.01 0.00 0.48 0.00 0.00 55.95 56.03 1um4 s SER 178 Cb -0.02 -0.56 0.02 0.00 0.10 0.00 0.00 66.02 65.56 1um4 s SER 178 CO -0.00 0.32 -0.14 -0.55 0.98 0.00 0.00 173.24 173.85 1um4 s SER 179 N -0.79 2.60 -0.20 7.02 0.15 0.47 -1.45 113.70 121.50 1um4 s SER 179 Ca 0.11 -0.46 -0.03 0.00 0.70 0.00 0.00 55.95 56.27 1um4 s SER 179 Cb -0.10 -1.14 -0.01 0.00 -1.71 0.00 0.00 66.02 63.06 1um4 s SER 179 CO 0.00 -0.05 -0.06 -0.89 1.20 0.00 0.00 173.24 173.45 1um4 s THR 180 N 1.41 3.33 -0.27 6.45 2.01 0.38 -0.27 115.64 128.69 1um4 s THR 180 Ca 0.03 -0.52 -0.13 0.00 0.31 0.00 0.00 61.69 61.38 1um4 s THR 180 Cb -0.13 -2.49 -0.04 0.00 0.01 0.00 0.00 72.50 69.84 1um4 s THR 180 CO -0.09 0.45 0.27 -0.22 -0.69 0.00 0.00 174.62 174.33 1um4 s LEU 181 N 1.24 4.04 -0.17 4.42 2.96 0.71 -1.44 118.68 130.45 1um4 s LEU 181 Ca 0.03 0.14 -0.03 0.00 -0.22 0.00 0.00 54.13 54.06 1um4 s LEU 181 Cb -0.14 -2.25 -0.02 0.00 0.50 0.00 0.00 46.19 44.28 1um4 s LEU 181 CO -0.02 -0.09 -0.07 -0.89 -1.32 0.00 0.00 176.35 173.96 1um4 s THR 182 N 1.77 3.42 0.16 3.68 2.01 -0.30 -0.05 115.64 126.33 1um4 s THR 182 Ca 0.11 -0.51 0.02 0.00 0.31 0.00 0.00 61.69 61.62 1um4 s THR 182 Cb -0.16 -2.50 -0.05 0.00 0.01 0.00 0.00 72.50 69.81 1um4 s THR 182 CO 0.10 0.48 -0.03 -0.76 -0.69 0.00 0.00 174.62 173.71 1um4 s LEU 183 N 0.78 2.28 0.69 4.42 1.43 0.11 -4.86 118.68 123.53 1um4 s LEU 183 Ca -0.03 -1.11 -0.11 0.00 -1.03 0.00 0.00 54.13 51.85 1um4 s LEU 183 Cb -0.15 -0.12 0.00 0.00 0.03 0.00 0.00 46.19 45.95 1um4 s LEU 183 CO 0.02 -0.50 1.06 -0.94 0.23 0.00 0.00 176.35 176.22 1um4 s SER 184 N -3.15 5.50 0.16 2.29 1.04 -1.26 0.25 113.70 118.53 1um4 s SER 184 Ca 0.20 1.47 -0.15 0.00 0.48 0.00 0.00 55.95 57.95 1um4 s SER 184 Cb 0.05 -2.37 0.06 0.00 0.10 0.00 0.00 66.02 63.86 1um4 s SER 184 CO 0.02 -1.35 1.81 0.50 0.98 0.00 0.00 173.24 175.20 1um4 h LYS 185 N -0.65 0.54 -0.24 4.02 3.64 -1.15 -0.86 116.57 121.87 1um4 h LYS 185 Ca -0.44 -0.03 0.06 0.00 -1.27 0.00 0.00 60.65 58.96 1um4 h LYS 185 Cb 1.22 -0.12 -0.07 0.00 -0.41 0.00 0.00 32.23 32.85 1um4 h LYS 185 CO 0.59 0.36 -0.24 0.00 -2.27 0.00 0.00 179.45 177.89 1um4 h ALA 186 N 1.19 -0.14 -0.67 5.00 0.00 -1.92 0.80 119.26 123.52 1um4 h ALA 186 Ca 0.18 0.07 0.01 0.00 0.00 0.00 0.00 54.91 55.17 1um4 h ALA 186 Cb -0.01 0.51 -0.03 0.00 0.00 0.00 0.00 17.79 18.26 1um4 h ALA 186 CO -0.07 -0.67 0.44 0.22 0.00 0.00 0.00 179.25 179.17 1um4 h ASP 187 N -0.25 0.76 -0.73 0.00 -0.00 -1.87 -1.25 116.42 113.07 1um4 h ASP 187 Ca 0.13 -0.02 -0.00 0.00 -0.00 0.00 0.00 57.03 57.14 1um4 h ASP 187 Cb 0.46 -0.19 -0.04 0.00 -0.00 0.00 0.00 39.33 39.57 1um4 h ASP 187 CO -0.38 0.55 0.45 0.22 -0.00 0.00 0.00 179.24 180.08 1um4 h TYR 188 N 0.90 0.95 0.00 0.28 3.20 -0.28 -2.64 116.97 119.38 1um4 h TYR 188 Ca 0.25 0.00 -0.05 0.00 3.14 0.00 0.00 58.73 62.07 1um4 h TYR 188 Cb -0.09 -0.32 -0.01 0.00 1.54 0.00 0.00 36.73 37.85 1um4 h TYR 188 CO -0.03 0.63 -0.25 0.93 -1.64 0.00 0.00 178.16 177.81 1um4 h GLU 189 N 1.00 0.00 -0.00 1.82 4.39 -0.35 -3.07 114.58 118.37 1um4 h GLU 189 Ca 0.26 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.96 1um4 h GLU 189 Cb -0.05 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.60 1um4 h GLU 189 CO -0.05 0.25 -0.15 0.36 -1.16 0.00 0.00 179.01 178.25 1um4 n LYS 190 N -3.41 0.18 -4.34 2.33 2.85 -0.52 -4.86 118.16 110.39 1um4 n LYS 190 Ca 0.00 -0.05 -0.26 0.00 -1.05 0.00 0.00 58.31 56.95 1um4 n LYS 190 Cb 0.44 -1.50 -0.09 0.00 -0.65 0.00 0.00 35.03 33.24 1um4 n LYS 190 CO 0.00 0.00 0.00 -1.01 -0.05 0.00 0.00 177.40 176.34 1um4 s HIS 191 N -2.85 2.56 0.07 5.58 3.76 -1.16 -5.10 115.29 118.15 1um4 s HIS 191 Ca 0.18 -0.56 0.00 0.00 -0.15 0.00 0.00 55.06 54.53 1um4 s HIS 191 Cb 0.19 -1.74 0.00 0.00 1.11 0.00 0.00 32.58 32.14 1um4 s HIS 191 CO 0.56 0.36 0.00 1.17 -0.85 0.00 0.00 174.74 175.98 1um4 n LYS 192 N -1.06 0.00 -3.26 1.40 4.81 -1.26 -4.80 118.16 113.98 1um4 n LYS 192 Ca -0.03 0.00 -0.40 0.00 -0.87 0.00 0.00 58.31 57.01 1um4 n LYS 192 Cb 0.64 -0.46 -0.08 0.00 0.02 0.00 0.00 35.03 35.16 1um4 n LYS 192 CO 0.00 0.00 0.00 0.08 1.17 0.00 0.00 177.40 178.65 1um4 s VAL 193 N -2.00 5.09 -0.23 3.15 1.01 -1.26 -0.55 120.40 125.61 1um4 s VAL 193 Ca 0.00 0.83 -0.04 0.00 0.00 0.00 0.00 61.98 62.77 1um4 s VAL 193 Cb 0.00 -3.80 -0.01 0.00 0.00 0.00 0.00 36.38 32.57 1um4 s VAL 193 CO 0.00 0.11 -0.03 -0.31 0.00 0.00 0.00 175.10 174.87 1um4 s TYR 194 N 2.21 2.99 -0.02 5.22 1.51 -0.45 0.08 117.35 128.89 1um4 s TYR 194 Ca 0.20 -0.96 0.05 0.00 -1.01 0.00 0.00 57.07 55.35 1um4 s TYR 194 Cb -0.16 -2.12 -0.01 0.00 -0.11 0.00 0.00 41.96 39.56 1um4 s TYR 194 CO 0.09 -0.55 -0.17 0.00 -1.11 0.00 0.00 175.55 173.81 1um4 s ALA 195 N 1.48 1.45 -0.25 3.71 0.00 0.57 -1.24 121.76 127.48 1um4 s ALA 195 Ca 0.05 -0.73 -0.03 0.00 0.00 0.00 0.00 51.96 51.25 1um4 s ALA 195 Cb -0.15 -0.40 0.02 0.00 0.00 0.00 0.00 23.12 22.59 1um4 s ALA 195 CO -0.03 0.34 -0.03 0.00 0.00 0.00 0.00 175.76 176.04 1um4 s GLU 197 N 1.39 3.74 -0.14 0.00 2.12 0.15 -1.31 118.70 124.65 1um4 s GLU 197 Ca 0.01 -0.44 -0.01 0.00 0.36 0.00 0.00 54.97 54.89 1um4 s GLU 197 Cb -0.16 -3.50 -0.02 0.00 0.26 0.00 0.00 34.13 30.71 1um4 s GLU 197 CO -0.03 -0.21 -0.09 0.08 -0.54 0.00 0.00 175.26 174.46 1um4 s VAL 198 N 1.68 3.37 -0.11 3.70 1.01 0.12 -0.42 120.40 129.74 1um4 s VAL 198 Ca 0.06 -0.55 0.03 0.00 0.00 0.00 0.00 61.98 61.53 1um4 s VAL 198 Cb -0.16 -2.44 0.00 0.00 0.00 0.00 0.00 36.38 33.78 1um4 s VAL 198 CO 0.07 0.51 -0.22 -0.89 0.00 0.00 0.00 175.10 174.57 1um4 s THR 199 N 0.35 2.19 -0.11 3.92 2.01 0.65 -0.12 115.64 124.53 1um4 s THR 199 Ca -0.08 -0.96 -0.22 0.00 0.31 0.00 0.00 61.69 60.73 1um4 s THR 199 Cb -0.15 -1.85 0.05 0.00 0.01 0.00 0.00 72.50 70.55 1um4 s THR 199 CO 0.05 0.55 0.53 -2.28 -0.69 0.00 0.00 174.62 172.78 1um4 s HIS 200 N 0.46 -0.51 0.55 4.92 2.46 -1.26 -0.77 115.29 121.14 1um4 s HIS 200 Ca -0.15 1.06 0.35 0.00 0.47 0.00 0.00 55.06 56.79 1um4 s HIS 200 Cb -0.17 0.24 1.52 0.00 -0.13 0.00 0.00 32.58 34.03 1um4 s HIS 200 CO 0.06 -0.41 1.80 0.37 -2.47 0.00 0.00 174.74 174.09 1um4 h GLN 201 N 4.22 0.00 0.00 2.88 4.15 -1.93 0.60 115.11 125.03 1um4 h GLN 201 Ca -0.28 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.14 1um4 h GLN 201 Cb 1.16 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.85 1um4 h GLN 201 CO 0.29 0.00 0.00 0.41 -1.93 0.00 0.00 178.83 177.60 1um4 n GLY 202 N -1.74 -1.48 3.50 2.39 0.00 -1.26 -4.71 105.19 101.89 1um4 n GLY 202 Ca 0.23 -0.08 -0.34 0.00 0.00 0.00 0.00 46.02 45.83 1um4 n GLY 202 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1um4 s LEU 203 N -3.27 3.30 0.22 0.99 1.43 0.21 -4.57 118.68 116.99 1um4 s LEU 203 Ca 0.13 -0.12 -0.02 0.00 -1.03 0.00 0.00 54.13 53.08 1um4 s LEU 203 Cb 0.17 -1.80 0.20 0.00 0.03 0.00 0.00 46.19 44.79 1um4 s LEU 203 CO 0.51 0.15 1.60 0.77 0.23 0.00 0.00 176.35 179.61 1um4 h SER 204 N 6.83 0.65 -4.77 2.29 4.64 -1.84 -3.42 113.55 117.92 1um4 h SER 204 Ca -0.32 -0.28 -0.26 0.00 -0.47 0.00 0.00 61.79 60.46 1um4 h SER 204 Cb 1.19 -0.18 -0.21 0.00 -0.31 0.00 0.00 62.40 62.88 1um4 h SER 204 CO 0.63 0.95 -0.73 -0.94 -0.87 0.00 0.00 176.83 175.88 1um4 s SER 205 N -6.84 0.75 0.32 4.97 1.04 -1.26 -5.10 113.70 107.58 1um4 s SER 205 Ca -0.08 -0.53 -0.27 0.00 0.48 0.00 0.00 55.95 55.56 1um4 s SER 205 Cb 0.12 0.04 -0.14 0.00 0.10 0.00 0.00 66.02 66.15 1um4 s SER 205 CO 0.83 -0.21 0.86 -2.65 0.98 0.00 0.00 173.24 173.05 1um4 n PRO 206 N 1.52 1.03 -3.79 4.02 -0.02 -1.26 -4.94 135.00 131.56 1um4 n PRO 206 Ca -0.23 0.36 -0.36 0.00 -2.02 0.00 0.00 63.50 61.25 1um4 n PRO 206 Cb 0.55 -1.69 -0.12 0.00 -0.02 0.00 0.00 33.50 32.22 1um4 n PRO 206 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1um4 s VAL 207 N -1.15 4.56 -0.22 -1.45 1.01 0.83 -4.90 120.40 119.09 1um4 s VAL 207 Ca 0.61 -0.09 -0.04 0.00 0.00 0.00 0.00 61.98 62.45 1um4 s VAL 207 Cb -0.70 -3.12 -0.01 0.00 0.00 0.00 0.00 36.38 32.55 1um4 s VAL 207 CO 0.59 0.35 -0.03 -0.89 0.00 0.00 0.00 175.10 175.12 1um4 s THR 208 N 1.39 3.55 -0.12 3.92 2.01 -1.26 0.11 115.64 125.23 1um4 s THR 208 Ca 0.06 -0.44 -0.00 0.00 0.31 0.00 0.00 61.69 61.62 1um4 s THR 208 Cb -0.15 -2.61 -0.02 0.00 0.01 0.00 0.00 72.50 69.73 1um4 s THR 208 CO 0.04 0.42 -0.11 -0.54 -0.69 0.00 0.00 174.62 173.74 1um4 s LYS 209 N 1.39 3.26 0.19 4.92 -0.14 -0.42 -4.94 119.74 124.00 1um4 s LYS 209 Ca 0.05 -0.64 -0.10 0.00 -1.36 0.00 0.00 55.97 53.91 1um4 s LYS 209 Cb -0.14 -2.64 -0.01 0.00 -1.68 0.00 0.00 37.83 33.36 1um4 s LYS 209 CO -0.01 0.32 0.35 -1.54 -0.76 0.00 0.00 175.35 173.70 1um4 s SER 210 N 0.10 -0.02 0.07 2.83 1.04 -1.26 -0.03 113.70 116.43 1um4 s SER 210 Ca -0.05 -0.89 -0.08 0.00 0.48 0.00 0.00 55.95 55.41 1um4 s SER 210 Cb -0.14 0.49 -0.00 0.00 0.10 0.00 0.00 66.02 66.46 1um4 s SER 210 CO 0.04 -0.97 0.17 0.72 0.98 0.00 0.00 173.24 174.18 1um4 s PHE 211 N -3.99 0.15 -0.30 5.02 -0.12 -0.37 -4.98 117.98 113.40 1um4 s PHE 211 Ca 0.20 -0.52 -0.09 0.00 -0.05 0.00 0.00 56.93 56.46 1um4 s PHE 211 Cb 0.02 -0.08 -0.01 0.00 -0.63 0.00 0.00 43.02 42.32 1um4 s PHE 211 CO 0.03 -0.49 0.13 -0.80 -0.05 0.00 0.00 175.22 174.05 1um4 s ASN 212 N -2.58 5.46 0.37 1.98 -0.87 -1.26 -1.34 114.94 116.69 1um4 s ASN 212 Ca 0.01 -0.45 0.14 0.00 -1.57 0.00 0.00 52.86 50.99 1um4 s ASN 212 Cb 0.03 -1.98 0.97 0.00 -0.02 0.00 0.00 41.25 40.25 1um4 s ASN 212 CO -0.08 -0.16 1.79 -0.09 -2.57 0.00 0.00 177.10 175.99 1um4 h ARG 213 N 8.32 0.51 -0.54 -0.60 2.43 -1.04 0.87 114.38 124.34 1um4 h ARG 213 Ca -0.33 -0.03 0.05 0.00 -0.81 0.00 0.00 59.98 58.85 1um4 h ARG 213 Cb 1.15 -0.12 -0.05 0.00 -0.42 0.00 0.00 29.97 30.54 1um4 h ARG 213 CO 0.60 0.34 0.27 0.78 -1.51 0.00 0.00 179.97 180.45 1um4 h GLY 214 N 0.53 0.76 -0.24 2.80 0.00 -1.90 0.49 103.07 105.50 1um4 h GLY 214 Ca 0.56 -0.18 0.00 0.00 0.00 0.00 0.00 47.33 47.71 1um4 h GLY 214 CO -0.30 0.11 0.00 1.18 0.00 0.00 0.00 176.54 177.53 1um4 n GLU 215 N -4.88 0.79 0.00 4.80 1.02 0.27 -4.87 120.64 117.77 1um4 n GLU 215 Ca 0.05 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.19 1um4 n GLU 215 Cb 0.15 -1.10 0.00 0.00 -0.02 0.00 0.00 31.44 30.47 1um4 n GLU 215 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1um4 n GLY 217 N 0.00 0.00 0.00 0.00 0.00 -1.26 -4.43 105.19 99.50 1um4 n GLY 217 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1um4 n GLY 217 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1um4 n ALA 218 N 0.00 0.00 -2.06 4.61 0.00 -0.98 -4.88 120.51 117.20 1um4 n ALA 218 Ca 0.00 0.00 -0.25 0.00 0.00 0.00 0.00 53.44 53.19 1um4 n ALA 218 Cb 0.00 0.00 0.02 0.00 0.00 0.00 0.00 19.45 19.47 1um4 n ALA 218 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1um4 n GLY 219 N 1.06 6.30 0.08 0.00 0.00 -1.26 -4.87 105.19 106.49 1um4 n GLY 219 Ca 0.00 -2.66 0.16 0.00 0.00 0.00 0.00 46.02 43.51 1um4 n GLY 219 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32