#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ea0 h LYS 1 N 0.00 -0.44 -1.80 0.00 3.64 -1.52 -3.44 116.57 113.01 3ea0 h LYS 1 Ca 0.00 0.03 0.06 0.00 -1.27 0.00 0.00 60.65 59.47 3ea0 h LYS 1 Cb 0.00 0.10 -0.24 0.00 -0.41 0.00 0.00 32.23 31.69 3ea0 h LYS 1 CO 0.00 -0.30 0.17 1.03 -2.27 0.00 0.00 179.45 178.08 3ea0 s ARG 2 N -6.05 0.57 -0.25 1.90 0.52 -1.12 -5.06 118.95 109.47 3ea0 s ARG 2 Ca -0.16 0.99 -0.08 0.00 -0.52 0.00 0.00 55.73 55.97 3ea0 s ARG 2 Cb 0.08 0.13 -0.03 0.00 0.52 0.00 0.00 34.95 35.64 3ea0 s ARG 2 CO 0.65 -0.12 0.09 0.08 0.02 0.00 0.00 175.30 176.02 3ea0 s VAL 3 N 1.54 4.52 -0.15 3.52 1.01 -1.26 -2.65 120.40 126.93 3ea0 s VAL 3 Ca -0.09 -0.10 -0.03 0.00 0.00 0.00 0.00 61.98 61.75 3ea0 s VAL 3 Cb -0.05 -3.11 -0.03 0.00 0.00 0.00 0.00 36.38 33.20 3ea0 s VAL 3 CO -0.18 0.34 -0.03 -0.36 0.00 0.00 0.00 175.10 174.87 3ea0 s PHE 4 N 1.48 3.04 -0.18 5.22 0.08 -0.10 -0.35 117.98 127.17 3ea0 s PHE 4 Ca 0.06 -0.23 -0.09 0.00 0.12 0.00 0.00 56.93 56.79 3ea0 s PHE 4 Cb -0.15 -1.93 -0.05 0.00 -0.57 0.00 0.00 43.02 40.32 3ea0 s PHE 4 CO 0.05 0.03 0.13 0.20 -0.10 0.00 0.00 175.22 175.52 3ea0 s GLY 5 N 0.20 2.06 -0.12 4.36 0.00 0.02 -0.78 107.32 113.06 3ea0 s GLY 5 Ca -0.02 -0.68 -0.01 0.00 0.00 0.00 0.00 44.72 44.01 3ea0 s GLY 5 CO 0.03 -0.02 -0.07 -1.36 0.00 0.00 0.00 173.10 171.67 3ea0 s PHE 6 N -0.04 2.93 -0.03 1.90 0.08 0.11 0.57 117.98 123.50 3ea0 s PHE 6 Ca 0.10 -0.28 -0.01 0.00 0.12 0.00 0.00 56.93 56.85 3ea0 s PHE 6 Cb -0.11 -1.84 0.02 0.00 -0.57 0.00 0.00 43.02 40.51 3ea0 s PHE 6 CO -0.00 0.04 0.06 0.54 -0.10 0.00 0.00 175.22 175.76 3ea0 s VAL 7 N -0.04 -0.03 -0.06 -0.44 0.11 -0.65 0.55 120.40 119.84 3ea0 s VAL 7 Ca -0.00 0.09 -0.24 0.00 -2.93 0.00 0.00 61.98 58.90 3ea0 s VAL 7 Cb -0.13 -0.11 -0.04 0.00 -1.53 0.00 0.00 36.38 34.57 3ea0 s VAL 7 CO 0.03 0.04 0.73 -0.44 -3.33 0.00 0.00 175.10 172.13 3ea0 s SER 8 N 0.53 7.03 0.24 3.54 0.01 0.52 -0.95 113.70 124.62 3ea0 s SER 8 Ca -0.04 1.24 -0.04 0.00 1.31 0.00 0.00 55.95 58.42 3ea0 s SER 8 Cb -0.06 -2.43 0.44 0.00 0.21 0.00 0.00 66.02 64.18 3ea0 s SER 8 CO -0.02 -0.13 1.76 0.00 0.41 0.00 0.00 173.24 175.25 3ea0 h ALA 9 N 6.76 1.10 -3.49 1.44 0.00 -1.20 -3.40 119.26 120.47 3ea0 h ALA 9 Ca -0.41 0.09 -0.21 0.00 0.00 0.00 0.00 54.91 54.37 3ea0 h ALA 9 Cb 1.20 0.01 -0.28 0.00 0.00 0.00 0.00 17.79 18.73 3ea0 h ALA 9 CO 0.75 -0.12 -0.62 0.21 0.00 0.00 0.00 179.25 179.48 3ea0 s LYS 10 N -6.02 0.10 0.13 0.00 2.20 -1.26 -4.34 119.74 110.54 3ea0 s LYS 10 Ca -0.12 0.15 -0.35 0.00 -0.36 0.00 0.00 55.97 55.29 3ea0 s LYS 10 Cb 0.20 0.02 -0.15 0.00 -1.51 0.00 0.00 37.83 36.39 3ea0 s LYS 10 CO 0.77 -0.03 1.46 0.41 -0.36 0.00 0.00 175.35 177.59 3ea0 n GLY 11 N 3.19 0.80 0.27 5.54 0.00 -1.26 -1.20 105.19 112.53 3ea0 n GLY 11 Ca -0.14 0.67 0.00 0.00 0.00 0.00 0.00 46.02 46.55 3ea0 n GLY 11 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3ea0 n GLY 12 N 2.95 0.43 0.22 -0.02 0.00 -1.26 -4.96 105.19 102.55 3ea0 n GLY 12 Ca 0.17 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.27 3ea0 n GLY 12 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 3ea0 h ASP 13 N 0.00 0.00 0.00 1.61 3.32 -1.49 -3.47 116.42 116.39 3ea0 h ASP 13 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 3ea0 h ASP 13 Cb 0.00 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.55 3ea0 h ASP 13 CO 0.00 0.27 0.00 0.61 -1.72 0.00 0.00 179.24 178.40 3ea0 n GLY 14 N -0.33 1.54 0.44 2.75 0.00 -1.26 -4.72 105.19 103.62 3ea0 n GLY 14 Ca -0.01 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.85 3ea0 n GLY 14 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 3ea0 h GLY 15 N 0.00 -0.98 0.76 -0.02 0.00 -1.90 -0.12 103.07 100.81 3ea0 h GLY 15 Ca 0.00 0.55 0.04 0.00 0.00 0.00 0.00 47.33 47.92 3ea0 h GLY 15 CO 0.00 -0.28 0.23 1.76 0.00 0.00 0.00 176.54 178.25 3ea0 h SER 16 N -0.72 0.34 -0.52 0.19 0.02 -1.93 0.12 113.55 111.04 3ea0 h SER 16 Ca 0.00 0.02 0.01 0.00 -0.84 0.00 0.00 61.79 60.99 3ea0 h SER 16 Cb 0.73 -0.04 -0.03 0.00 0.14 0.00 0.00 62.40 63.20 3ea0 h SER 16 CO -0.24 0.24 0.34 0.00 -1.14 0.00 0.00 176.83 176.04 3ea0 h ILE 18 N 0.70 1.40 -0.31 0.00 1.08 -0.72 -2.19 117.51 117.46 3ea0 h ILE 18 Ca 0.19 -1.44 0.06 0.00 -0.39 0.00 0.00 64.86 63.28 3ea0 h ILE 18 Cb -0.08 2.14 -0.08 0.00 -3.07 0.00 0.00 36.82 35.73 3ea0 h ILE 18 CO -0.04 0.41 -0.42 0.00 -0.69 0.00 0.00 178.15 177.40 3ea0 h ALA 19 N 0.51 -0.47 0.00 1.87 0.00 -0.66 0.17 119.26 120.68 3ea0 h ALA 19 Ca 0.00 0.04 0.03 0.00 0.00 0.00 0.00 54.91 54.98 3ea0 h ALA 19 Cb 0.74 0.85 -0.03 0.00 0.00 0.00 0.00 17.79 19.34 3ea0 h ALA 19 CO 0.04 -0.88 -0.17 0.00 0.00 0.00 0.00 179.25 178.24 3ea0 h ALA 20 N 0.34 -0.21 0.00 0.00 0.00 -0.92 -2.10 119.26 116.36 3ea0 h ALA 20 Ca 0.12 0.01 -0.06 0.00 0.00 0.00 0.00 54.91 54.97 3ea0 h ALA 20 Cb 0.59 0.30 -0.01 0.00 0.00 0.00 0.00 17.79 18.68 3ea0 h ALA 20 CO -0.51 -0.66 -0.29 -0.91 0.00 0.00 0.00 179.25 176.87 3ea0 h ASN 21 N -0.28 0.00 -0.12 0.00 4.21 -1.17 -0.85 115.58 117.36 3ea0 h ASN 21 Ca 0.05 0.00 -0.02 0.00 1.21 0.00 0.00 56.30 57.55 3ea0 h ASN 21 Cb 0.35 0.00 -0.00 0.00 -1.12 0.00 0.00 38.32 37.55 3ea0 h ASN 21 CO -0.16 0.29 0.02 0.15 -1.29 0.00 0.00 177.43 176.44 3ea0 h PHE 22 N 0.00 0.22 -0.20 1.19 3.57 -0.42 -0.57 116.94 120.74 3ea0 h PHE 22 Ca -0.00 -0.03 0.04 0.00 3.53 0.00 0.00 57.97 61.51 3ea0 h PHE 22 Cb 0.57 -0.06 -0.04 0.00 2.79 0.00 0.00 35.95 39.20 3ea0 h PHE 22 CO 0.00 0.40 -0.08 0.00 -2.23 0.00 0.00 178.31 176.40 3ea0 h ALA 23 N 0.79 0.09 -0.51 2.41 0.00 -1.13 -0.13 119.26 120.78 3ea0 h ALA 23 Ca 0.04 0.08 0.08 0.00 0.00 0.00 0.00 54.91 55.10 3ea0 h ALA 23 Cb 0.30 0.21 -0.06 0.00 0.00 0.00 0.00 17.79 18.23 3ea0 h ALA 23 CO 0.00 -0.51 0.15 0.35 0.00 0.00 0.00 179.25 179.24 3ea0 h PHE 24 N -0.05 0.26 -0.30 0.00 3.57 -0.98 -1.15 116.94 118.29 3ea0 h PHE 24 Ca 0.10 0.03 0.02 0.00 3.53 0.00 0.00 57.97 61.65 3ea0 h PHE 24 Cb 0.21 -0.04 -0.02 0.00 2.79 0.00 0.00 35.95 38.89 3ea0 h PHE 24 CO -0.24 0.05 0.15 0.00 -2.23 0.00 0.00 178.31 176.04 3ea0 h ALA 25 N 1.37 0.37 -0.40 2.41 0.00 -0.28 -2.00 119.26 120.73 3ea0 h ALA 25 Ca 0.25 0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.16 3ea0 h ALA 25 Cb 0.31 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.03 3ea0 h ALA 25 CO -0.29 -0.23 0.19 -0.07 0.00 0.00 0.00 179.25 178.85 3ea0 h LEU 26 N 0.31 0.49 0.00 0.00 3.38 -0.61 -1.67 115.31 117.22 3ea0 h LEU 26 Ca 0.13 -0.04 0.00 0.00 0.09 0.00 0.00 57.88 58.06 3ea0 h LEU 26 Cb 0.04 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 40.67 3ea0 h LEU 26 CO -0.09 0.42 0.00 -1.54 0.09 0.00 0.00 178.44 177.32 3ea0 n SER 27 N -4.41 0.00 0.23 -0.43 3.41 -0.47 -2.36 113.62 109.58 3ea0 n SER 27 Ca 0.03 0.32 0.15 0.00 -0.26 0.00 0.00 58.87 59.11 3ea0 n SER 27 Cb 0.12 -0.41 0.49 0.00 -0.26 0.00 0.00 64.21 64.14 3ea0 n SER 27 CO 0.00 0.00 0.00 1.56 -0.16 0.00 0.00 175.04 176.44 3ea0 h GLN 28 N 0.00 0.00 -6.82 4.33 1.08 -1.15 -3.45 115.11 109.10 3ea0 h GLN 28 Ca 0.00 0.00 -0.52 0.00 -1.45 0.00 0.00 58.65 56.68 3ea0 h GLN 28 Cb 0.20 0.00 0.04 0.00 -0.05 0.00 0.00 27.48 27.68 3ea0 h GLN 28 CO 0.00 0.00 0.59 -2.00 -0.95 0.00 0.00 178.83 176.47 3ea0 s GLU 29 N -3.44 4.45 0.16 1.46 2.12 -1.00 -4.96 118.70 117.49 3ea0 s GLU 29 Ca 0.04 2.06 -0.31 0.00 0.36 0.00 0.00 54.97 57.12 3ea0 s GLU 29 Cb 0.08 -3.13 -0.10 0.00 0.26 0.00 0.00 34.13 31.24 3ea0 s GLU 29 CO 0.56 -0.08 1.67 -1.25 -0.54 0.00 0.00 175.26 175.63 3ea0 s PRO 30 N -1.38 4.17 0.00 4.30 0.04 -1.26 -2.92 135.00 137.95 3ea0 s PRO 30 Ca 0.49 2.47 0.00 0.00 0.04 0.00 0.00 61.00 64.00 3ea0 s PRO 30 Cb -0.37 -3.27 0.00 0.00 0.04 0.00 0.00 34.50 30.90 3ea0 s PRO 30 CO 0.47 -0.71 0.00 -0.40 0.04 0.00 0.00 177.00 176.40 3ea0 n ASP 31 N 4.51 -1.93 -4.86 6.66 5.75 -1.26 -5.02 116.55 120.40 3ea0 n ASP 31 Ca 0.15 0.00 -0.31 0.00 -0.01 0.00 0.00 54.79 54.62 3ea0 n ASP 31 Cb 0.38 -0.97 -0.03 0.00 -1.03 0.00 0.00 41.12 39.47 3ea0 n ASP 31 CO 0.00 0.00 0.00 -0.63 -0.11 0.00 0.00 177.20 176.46 3ea0 s ILE 32 N -2.47 4.67 -0.10 2.12 -1.09 -1.15 -5.08 121.20 118.11 3ea0 s ILE 32 Ca 0.00 0.90 0.00 0.00 -2.23 0.00 0.00 60.65 59.32 3ea0 s ILE 32 Cb 0.00 -3.73 0.02 0.00 -1.58 0.00 0.00 42.46 37.18 3ea0 s ILE 32 CO 0.00 -0.60 -0.08 -1.00 -1.23 0.00 0.00 174.94 172.03 3ea0 s HIS 33 N -2.49 1.36 0.01 3.97 3.76 -1.26 -4.58 115.29 116.05 3ea0 s HIS 33 Ca 0.55 -0.62 0.08 0.00 -0.15 0.00 0.00 55.06 54.93 3ea0 s HIS 33 Cb -0.10 -1.13 -0.02 0.00 1.11 0.00 0.00 32.58 32.44 3ea0 s HIS 33 CO 0.31 -0.43 -0.26 0.08 -0.85 0.00 0.00 174.74 173.60 3ea0 s VAL 34 N 1.49 2.04 -0.09 -0.90 1.01 -0.06 -1.11 120.40 122.78 3ea0 s VAL 34 Ca 0.00 -1.21 0.03 0.00 0.00 0.00 0.00 61.98 60.80 3ea0 s VAL 34 Cb -0.13 -1.72 0.00 0.00 0.00 0.00 0.00 36.38 34.53 3ea0 s VAL 34 CO -0.05 0.47 -0.20 -0.22 0.00 0.00 0.00 175.10 175.09 3ea0 s LEU 35 N -0.88 1.95 -0.21 3.92 2.96 -0.50 -1.32 118.68 124.61 3ea0 s LEU 35 Ca 0.10 -0.48 -0.05 0.00 -0.22 0.00 0.00 54.13 53.48 3ea0 s LEU 35 Cb -0.10 -1.23 -0.02 0.00 0.50 0.00 0.00 46.19 45.34 3ea0 s LEU 35 CO 0.00 0.12 0.01 0.00 -1.32 0.00 0.00 176.35 175.16 3ea0 s ALA 36 N 0.44 3.04 -0.12 5.97 0.00 -0.35 -0.68 121.76 130.06 3ea0 s ALA 36 Ca -0.18 -1.02 0.01 0.00 0.00 0.00 0.00 51.96 50.77 3ea0 s ALA 36 Cb -0.17 -1.82 0.02 0.00 0.00 0.00 0.00 23.12 21.15 3ea0 s ALA 36 CO 0.07 -0.22 -0.14 0.54 0.00 0.00 0.00 175.76 176.01 3ea0 s VAL 37 N 1.12 1.47 -0.40 0.00 0.11 0.86 -0.50 120.40 123.06 3ea0 s VAL 37 Ca 0.03 -0.61 -0.17 0.00 -2.93 0.00 0.00 61.98 58.30 3ea0 s VAL 37 Cb -0.14 -1.36 0.01 0.00 -1.53 0.00 0.00 36.38 33.36 3ea0 s VAL 37 CO 0.02 0.44 0.43 -0.62 -3.33 0.00 0.00 175.10 172.03 3ea0 s ASP 38 N 1.14 6.20 -0.18 3.54 -1.08 -0.74 -1.25 116.67 124.30 3ea0 s ASP 38 Ca -0.03 -0.53 0.16 0.00 -0.52 0.00 0.00 52.55 51.62 3ea0 s ASP 38 Cb -0.14 -2.22 0.46 0.00 -1.46 0.00 0.00 42.92 39.55 3ea0 s ASP 38 CO -0.04 -0.53 1.35 2.30 0.52 0.00 0.00 175.17 178.77 3ea0 n ILE 39 N 5.41 2.22 -2.32 4.11 -5.35 -0.61 -4.15 119.36 118.67 3ea0 n ILE 39 Ca -0.07 -2.17 -0.43 0.00 -0.27 0.00 0.00 62.75 59.81 3ea0 n ILE 39 Cb 0.48 -0.26 -0.02 0.00 -1.74 0.00 0.00 39.64 38.09 3ea0 n ILE 39 CO 0.00 0.00 0.00 -0.55 -1.76 0.00 0.00 176.55 174.24 3ea0 s SER 40 N -2.33 6.88 -0.08 7.28 0.15 -1.11 -4.76 113.70 119.75 3ea0 s SER 40 Ca 0.40 1.84 0.05 0.00 0.70 0.00 0.00 55.95 58.94 3ea0 s SER 40 Cb 0.34 -2.54 -0.01 0.00 -1.71 0.00 0.00 66.02 62.10 3ea0 s SER 40 CO 0.05 -0.79 -0.24 -0.76 1.20 0.00 0.00 173.24 172.70 3ea0 s LEU 41 N 3.51 2.10 0.38 3.45 1.02 -1.26 -2.98 118.68 124.90 3ea0 s LEU 41 Ca 0.59 -0.53 0.08 0.00 0.02 0.00 0.00 54.13 54.29 3ea0 s LEU 41 Cb -0.25 -1.40 -0.02 0.00 0.02 0.00 0.00 46.19 44.55 3ea0 s LEU 41 CO 0.19 0.20 0.37 -2.16 0.02 0.00 0.00 176.35 174.97 3ea0 s PRO 42 N 0.09 2.66 -1.01 1.29 0.04 -1.26 -5.00 135.00 131.82 3ea0 s PRO 42 Ca -0.11 -1.39 -0.10 0.00 0.04 0.00 0.00 61.00 59.44 3ea0 s PRO 42 Cb -0.16 -2.48 -0.03 0.00 0.04 0.00 0.00 34.50 31.87 3ea0 s PRO 42 CO 0.06 -0.09 0.81 1.19 0.04 0.00 0.00 177.00 179.02 3ea0 n PHE 43 N -1.52 -2.33 -1.01 0.56 3.72 -1.26 -4.97 117.46 110.64 3ea0 n PHE 43 Ca 0.02 0.76 -0.31 0.00 -0.05 0.00 0.00 57.45 57.87 3ea0 n PHE 43 Cb 0.61 -3.78 0.13 0.00 -0.94 0.00 0.00 39.48 35.50 3ea0 n PHE 43 CO 0.00 0.00 0.00 0.20 -0.05 0.00 0.00 176.76 176.91 3ea0 s GLY 44 N -3.32 1.67 -0.00 1.37 0.00 -1.16 -4.99 107.32 100.88 3ea0 s GLY 44 Ca 0.35 0.32 0.01 0.00 0.00 0.00 0.00 44.72 45.40 3ea0 s GLY 44 CO 0.80 0.73 0.82 2.09 0.00 0.00 0.00 173.10 177.54 3ea0 n ASP 45 N -3.90 0.11 -0.33 1.64 5.68 -1.26 -4.69 116.55 113.80 3ea0 n ASP 45 Ca 0.09 -1.66 0.18 0.00 -0.50 0.00 0.00 54.79 52.91 3ea0 n ASP 45 Cb 0.53 -0.13 0.35 0.00 -1.14 0.00 0.00 41.12 40.73 3ea0 n ASP 45 CO 0.00 0.00 0.00 -0.11 -1.33 0.00 0.00 177.20 175.76 3ea0 n LEU 46 N -0.05 -0.00 -1.97 -2.12 7.94 -1.26 -3.86 117.00 115.68 3ea0 n LEU 46 Ca 0.00 1.63 0.00 0.00 -1.11 0.00 0.00 56.01 56.53 3ea0 n LEU 46 Cb 0.62 -0.64 0.00 0.00 0.53 0.00 0.00 43.42 43.92 3ea0 n LEU 46 CO 0.00 -1.69 0.00 -0.90 -1.11 0.00 0.00 177.39 173.69 3ea0 n ASP 47 N -5.37 0.00 0.00 1.96 5.68 -1.26 -4.01 116.55 113.55 3ea0 n ASP 47 Ca 0.26 -0.79 0.00 0.00 -0.50 0.00 0.00 54.79 53.76 3ea0 n ASP 47 Cb 0.87 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.85 3ea0 n ASP 47 CO 0.00 0.00 0.00 -1.22 -1.33 0.00 0.00 177.20 174.65 3ea0 n TYR 49 N 1.79 0.00 0.00 2.11 4.01 -1.25 -0.78 117.16 123.04 3ea0 n TYR 49 Ca 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.74 3ea0 n TYR 49 Cb 0.00 -0.12 0.00 0.00 -0.31 0.00 0.00 39.34 38.91 3ea0 n TYR 49 CO 0.00 0.00 0.00 1.28 -0.46 0.00 0.00 176.86 177.68 3ea0 n LEU 50 N 0.00 0.68 -3.89 7.72 4.77 -1.26 -2.85 117.00 122.17 3ea0 n LEU 50 Ca 0.00 0.00 -0.11 0.00 -0.03 0.00 0.00 56.01 55.87 3ea0 n LEU 50 Cb 0.00 0.00 -0.13 0.00 -2.33 0.00 0.00 43.42 40.96 3ea0 n LEU 50 CO 0.00 0.11 -0.34 -0.55 -1.33 0.00 0.00 177.39 175.28 3ea0 s SER 51 N -3.02 0.05 0.06 -1.43 0.15 0.04 -4.18 113.70 105.37 3ea0 s SER 51 Ca 0.00 -0.11 0.22 0.00 0.70 0.00 0.00 55.95 56.76 3ea0 s SER 51 Cb 0.00 0.05 -0.18 0.00 -1.71 0.00 0.00 66.02 64.18 3ea0 s SER 51 CO 0.00 -0.09 0.74 0.61 1.20 0.00 0.00 173.24 175.71 3ea0 n GLY 52 N 2.66 -1.18 3.61 9.45 0.00 -1.05 -4.84 105.19 113.84 3ea0 n GLY 52 Ca -0.15 -0.41 -0.43 0.00 0.00 0.00 0.00 46.02 45.03 3ea0 n GLY 52 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3ea0 s ASN 53 N -4.71 6.73 0.26 1.61 0.01 -1.26 -5.02 114.94 112.56 3ea0 s ASN 53 Ca -0.04 0.66 -0.29 0.00 -0.71 0.00 0.00 52.86 52.48 3ea0 s ASN 53 Cb 0.13 -2.52 -0.09 0.00 0.41 0.00 0.00 41.25 39.18 3ea0 s ASN 53 CO 0.86 -1.00 1.00 0.42 -1.51 0.00 0.00 177.10 176.87 3ea0 s THR 54 N 3.85 3.84 -0.08 1.60 -4.23 -1.26 -5.04 115.64 114.33 3ea0 s THR 54 Ca 0.43 1.83 -0.02 0.00 -1.18 0.00 0.00 61.69 62.76 3ea0 s THR 54 Cb -0.10 -4.16 -0.03 0.00 1.34 0.00 0.00 72.50 69.55 3ea0 s THR 54 CO 0.22 0.42 0.01 -2.28 -0.54 0.00 0.00 174.62 172.45 3ea0 s HIS 55 N -1.20 3.17 -1.02 3.99 2.46 -1.26 -5.03 115.29 116.40 3ea0 s HIS 55 Ca 0.43 0.20 0.28 0.00 0.47 0.00 0.00 55.06 56.44 3ea0 s HIS 55 Cb -0.28 -1.78 1.13 0.00 -0.13 0.00 0.00 32.58 31.51 3ea0 s HIS 55 CO 0.35 0.48 1.85 0.45 -2.47 0.00 0.00 174.74 175.40 3ea0 n SER 56 N 2.08 0.09 -4.20 9.88 2.88 -1.26 -4.77 113.62 118.32 3ea0 n SER 56 Ca -0.18 0.35 -0.33 0.00 -1.33 0.00 0.00 58.87 57.38 3ea0 n SER 56 Cb 0.54 -0.37 -0.16 0.00 -0.75 0.00 0.00 64.21 63.47 3ea0 n SER 56 CO 0.00 0.00 0.00 -1.10 -1.23 0.00 0.00 175.04 172.71 3ea0 s GLN 57 N -2.98 3.07 0.29 -1.46 -0.21 -1.26 -5.08 119.66 112.03 3ea0 s GLN 57 Ca 0.14 -0.83 0.00 0.00 0.02 0.00 0.00 55.36 54.69 3ea0 s GLN 57 Cb 0.19 -2.47 0.00 0.00 1.00 0.00 0.00 33.01 31.73 3ea0 s GLN 57 CO 0.56 0.00 0.03 -0.40 -2.12 0.00 0.00 175.29 173.36 3ea0 n ASP 58 N 4.03 2.69 -0.33 5.90 5.68 -1.26 -4.43 116.55 128.83 3ea0 n ASP 58 Ca -0.20 -2.24 0.20 0.00 -0.50 0.00 0.00 54.79 52.05 3ea0 n ASP 58 Cb 0.52 0.17 0.44 0.00 -1.14 0.00 0.00 41.12 41.11 3ea0 n ASP 58 CO 0.00 0.00 0.00 0.25 -1.33 0.00 0.00 177.20 176.12 3ea0 h LEU 59 N 0.00 0.58 -0.05 -2.12 5.85 -1.41 -1.12 115.31 117.04 3ea0 h LEU 59 Ca -0.23 0.11 -0.01 0.00 0.84 0.00 0.00 57.88 58.58 3ea0 h LEU 59 Cb 0.73 0.01 -0.00 0.00 0.37 0.00 0.00 40.66 41.77 3ea0 h LEU 59 CO 0.39 0.11 -0.01 0.00 -0.34 0.00 0.00 178.44 178.59 3ea0 h ALA 60 N 1.67 0.07 -0.34 1.25 0.00 -1.92 -0.98 119.26 119.02 3ea0 h ALA 60 Ca 0.61 -0.20 -0.01 0.00 0.00 0.00 0.00 54.91 55.32 3ea0 h ALA 60 Cb 1.32 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 19.08 3ea0 h ALA 60 CO -0.38 -0.22 0.18 -0.44 0.00 0.00 0.00 179.25 178.39 3ea0 h ASP 61 N -0.23 0.42 -0.15 0.00 3.32 -1.78 -1.31 116.42 116.69 3ea0 h ASP 61 Ca 0.01 -0.09 -0.10 0.00 0.02 0.00 0.00 57.03 56.88 3ea0 h ASP 61 Cb 0.39 -0.11 0.00 0.00 0.22 0.00 0.00 39.33 39.83 3ea0 h ASP 61 CO 0.00 0.38 -0.29 0.40 -1.72 0.00 0.00 179.24 178.02 3ea0 h ILE 62 N 0.42 1.36 -0.19 0.35 2.04 -1.28 -2.89 117.51 117.32 3ea0 h ILE 62 Ca 0.12 -1.55 -0.11 0.00 1.00 0.00 0.00 64.86 64.32 3ea0 h ILE 62 Cb 0.06 2.00 -0.01 0.00 -0.74 0.00 0.00 36.82 38.12 3ea0 h ILE 62 CO -0.02 0.46 -0.37 0.77 0.00 0.00 0.00 178.15 178.99 3ea0 h SER 63 N 0.07 0.44 0.77 1.72 4.64 -1.18 -2.35 113.55 117.65 3ea0 h SER 63 Ca 0.01 -0.18 0.00 0.00 -0.47 0.00 0.00 61.79 61.15 3ea0 h SER 63 Cb 0.88 -0.12 0.00 0.00 -0.31 0.00 0.00 62.40 62.85 3ea0 h SER 63 CO 0.06 0.78 0.00 0.59 -0.87 0.00 0.00 176.83 177.39 3ea0 n ASN 64 N -4.05 0.51 -0.71 4.97 3.02 -0.50 -1.72 115.26 116.79 3ea0 n ASN 64 Ca -0.01 0.61 0.11 0.00 -0.03 0.00 0.00 54.58 55.26 3ea0 n ASN 64 Cb 0.48 -0.73 0.33 0.00 -0.61 0.00 0.00 39.78 39.25 3ea0 n ASN 64 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3ea0 n ALA 65 N -1.71 2.49 -0.44 5.41 0.00 -0.89 -4.61 120.51 120.77 3ea0 n ALA 65 Ca 0.03 -0.64 0.37 0.00 0.00 0.00 0.00 53.44 53.20 3ea0 n ALA 65 Cb 0.24 -1.03 0.69 0.00 0.00 0.00 0.00 19.45 19.36 3ea0 n ALA 65 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 3ea0 h SER 66 N 2.83 0.15 1.01 0.00 0.87 -1.31 -0.82 113.55 116.28 3ea0 h SER 66 Ca 0.00 0.05 0.00 0.00 -1.23 0.00 0.00 61.79 60.61 3ea0 h SER 66 Cb 0.62 0.04 0.00 0.00 -0.44 0.00 0.00 62.40 62.62 3ea0 h SER 66 CO 0.00 -0.04 0.00 0.44 -0.53 0.00 0.00 176.83 176.70 3ea0 h ASP 67 N 0.10 0.00 0.00 6.23 3.32 -1.85 -3.16 116.42 121.06 3ea0 h ASP 67 Ca 0.72 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 57.76 3ea0 h ASP 67 Cb 2.54 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 42.07 3ea0 h ASP 67 CO -0.18 0.00 -0.32 -2.11 -1.72 0.00 0.00 179.24 174.91 3ea0 n ARG 68 N -3.03 0.62 -2.06 3.56 1.85 -0.33 -5.04 116.66 112.23 3ea0 n ARG 68 Ca 0.01 -1.85 -0.43 0.00 -1.00 0.00 0.00 57.85 54.58 3ea0 n ARG 68 Cb 0.30 -0.95 -0.03 0.00 -1.05 0.00 0.00 32.46 30.74 3ea0 n ARG 68 CO 0.00 0.00 0.00 -0.51 -0.01 0.00 0.00 177.63 177.11 3ea0 s LEU 69 N -1.38 3.61 0.00 2.89 1.43 -1.10 -4.87 118.68 119.27 3ea0 s LEU 69 Ca 0.17 1.35 0.02 0.00 -1.03 0.00 0.00 54.13 54.64 3ea0 s LEU 69 Cb 0.16 -3.53 -0.01 0.00 0.03 0.00 0.00 46.19 42.84 3ea0 s LEU 69 CO -0.00 -1.56 0.08 -0.90 0.23 0.00 0.00 176.35 174.19 3ea0 n ASP 70 N 9.65 2.14 -0.15 2.29 3.85 -1.26 -4.95 116.55 128.12 3ea0 n ASP 70 Ca 0.21 -3.08 -0.03 0.00 -0.71 0.00 0.00 54.79 51.19 3ea0 n ASP 70 Cb 0.46 0.70 0.06 0.00 -1.35 0.00 0.00 41.12 40.99 3ea0 n ASP 70 CO 0.00 0.00 0.00 0.50 -1.01 0.00 0.00 177.20 176.69 3ea0 h LYS 71 N 0.00 0.14 -0.12 0.11 1.63 -1.99 0.11 116.57 116.46 3ea0 h LYS 71 Ca -0.34 -0.01 -0.18 0.00 -0.85 0.00 0.00 60.65 59.27 3ea0 h LYS 71 Cb 1.17 -0.03 -0.00 0.00 -0.60 0.00 0.00 32.23 32.77 3ea0 h LYS 71 CO 0.56 0.09 -0.67 0.66 -3.45 0.00 0.00 179.45 176.64 3ea0 h SER 72 N 0.15 0.55 -0.11 4.20 4.64 -1.98 -0.57 113.55 120.43 3ea0 h SER 72 Ca 0.24 -0.33 -0.10 0.00 -0.47 0.00 0.00 61.79 61.13 3ea0 h SER 72 Cb 0.35 -0.16 0.00 0.00 -0.31 0.00 0.00 62.40 62.28 3ea0 h SER 72 CO -0.37 1.06 -0.31 0.25 -0.87 0.00 0.00 176.83 176.59 3ea0 h LEU 73 N 0.34 0.47 -0.91 5.97 5.85 -1.80 -2.74 115.31 122.49 3ea0 h LEU 73 Ca -0.02 -0.59 0.05 0.00 0.84 0.00 0.00 57.88 58.16 3ea0 h LEU 73 Cb 1.23 -0.14 -0.06 0.00 0.37 0.00 0.00 40.66 42.07 3ea0 h LEU 73 CO 0.12 0.98 0.58 0.25 -0.34 0.00 0.00 178.44 180.03 3ea0 h LEU 74 N -0.02 0.94 -1.21 2.25 5.85 -0.80 -2.60 115.31 119.71 3ea0 h LEU 74 Ca -0.01 0.01 0.12 0.00 0.84 0.00 0.00 57.88 58.83 3ea0 h LEU 74 Cb 0.93 -0.20 -0.07 0.00 0.37 0.00 0.00 40.66 41.70 3ea0 h LEU 74 CO 0.07 0.62 0.58 0.44 -0.34 0.00 0.00 178.44 179.80 3ea0 h ASP 75 N 1.08 0.76 -0.23 1.25 3.32 -0.94 -2.12 116.42 119.53 3ea0 h ASP 75 Ca 0.38 0.03 -0.14 0.00 0.02 0.00 0.00 57.03 57.32 3ea0 h ASP 75 Cb 0.10 -0.12 -0.07 0.00 0.22 0.00 0.00 39.33 39.46 3ea0 h ASP 75 CO -0.15 0.42 0.18 0.35 -1.72 0.00 0.00 179.24 178.32 3ea0 n THR 76 N -4.55 1.88 0.00 0.35 -2.24 -0.98 -4.94 114.28 103.80 3ea0 n THR 76 Ca 0.16 -0.71 0.00 0.00 -2.27 0.00 0.00 64.05 61.23 3ea0 n THR 76 Cb 0.37 -1.11 0.00 0.00 -2.10 0.00 0.00 70.33 67.50 3ea0 n THR 76 CO 0.00 0.00 0.00 1.33 -0.57 0.00 0.00 175.07 175.83 3ea0 n VAL 78 N 0.46 0.00 -3.17 2.28 0.24 -0.80 -5.11 118.33 112.23 3ea0 n VAL 78 Ca 0.14 0.00 -0.40 0.00 -2.04 0.00 0.00 64.34 62.04 3ea0 n VAL 78 Cb 0.68 0.00 -0.07 0.00 -1.47 0.00 0.00 33.84 32.98 3ea0 n VAL 78 CO 0.00 0.00 0.00 -1.58 -2.14 0.00 0.00 176.83 173.11 3ea0 s GLN 79 N 0.00 4.00 -0.49 7.34 0.74 -0.10 -4.90 119.66 126.25 3ea0 s GLN 79 Ca 0.00 0.34 -0.28 0.00 0.05 0.00 0.00 55.36 55.47 3ea0 s GLN 79 Cb 0.00 -3.68 0.03 0.00 1.10 0.00 0.00 33.01 30.46 3ea0 s GLN 79 CO 0.00 -0.45 1.07 -1.01 -0.55 0.00 0.00 175.29 174.35 3ea0 s HIS 80 N 2.45 2.82 -0.03 1.67 3.76 -1.26 0.45 115.29 125.14 3ea0 s HIS 80 Ca 0.23 0.53 -0.21 0.00 -0.15 0.00 0.00 55.06 55.46 3ea0 s HIS 80 Cb -0.15 -4.29 -0.29 0.00 1.11 0.00 0.00 32.58 28.96 3ea0 s HIS 80 CO 0.10 -1.26 0.95 0.82 -0.85 0.00 0.00 174.74 174.50 3ea0 h ILE 81 N 6.17 1.49 -3.98 0.60 1.08 -1.16 -3.49 117.51 118.22 3ea0 h ILE 81 Ca -0.24 -2.42 -0.28 0.00 -0.39 0.00 0.00 64.86 61.52 3ea0 h ILE 81 Cb 1.07 3.05 -0.07 0.00 -3.07 0.00 0.00 36.82 37.79 3ea0 h ILE 81 CO 1.10 0.69 -0.18 -1.54 -0.69 0.00 0.00 178.15 177.54 3ea0 n SER 82 N -4.14 -1.19 0.24 1.72 3.41 -0.73 -4.96 113.62 107.97 3ea0 n SER 82 Ca -0.13 -2.80 0.18 0.00 -0.26 0.00 0.00 58.87 55.86 3ea0 n SER 82 Cb 0.79 2.27 0.87 0.00 -0.26 0.00 0.00 64.21 67.88 3ea0 n SER 82 CO 0.00 0.00 0.00 -0.65 -0.16 0.00 0.00 175.04 174.23 3ea0 h PRO 83 N 0.00 0.00 0.00 4.33 0.11 -1.98 -3.09 132.00 131.37 3ea0 h PRO 83 Ca -0.25 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.86 3ea0 h PRO 83 Cb 1.11 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.22 3ea0 h PRO 83 CO 0.34 0.00 0.00 -1.13 -0.21 0.00 0.00 178.00 177.00 3ea0 n SER 84 N -3.54 1.62 -3.70 -2.05 3.41 -1.26 -4.96 113.62 103.14 3ea0 n SER 84 Ca 0.01 -1.68 -0.17 0.00 -0.26 0.00 0.00 58.87 56.77 3ea0 n SER 84 Cb 0.33 0.00 -0.16 0.00 -0.26 0.00 0.00 64.21 64.12 3ea0 n SER 84 CO 0.00 0.00 0.00 -0.22 -0.16 0.00 0.00 175.04 174.66 3ea0 s LEU 85 N -0.68 0.28 0.27 1.04 2.96 -1.17 -0.88 118.68 120.51 3ea0 s LEU 85 Ca 0.00 0.22 0.08 0.00 -0.22 0.00 0.00 54.13 54.21 3ea0 s LEU 85 Cb 0.00 0.13 -0.04 0.00 0.50 0.00 0.00 46.19 46.78 3ea0 s LEU 85 CO 0.00 -0.21 0.14 -1.81 -1.32 0.00 0.00 176.35 173.15 3ea0 s ASP 86 N 1.89 5.13 -0.01 3.68 -0.00 -0.43 -0.56 116.67 126.38 3ea0 s ASP 86 Ca -0.00 -0.44 0.02 0.00 -0.00 0.00 0.00 52.55 52.13 3ea0 s ASP 86 Cb -0.12 -1.13 -0.00 0.00 -0.00 0.00 0.00 42.92 41.66 3ea0 s ASP 86 CO -0.05 -0.08 -0.07 -0.22 -0.00 0.00 0.00 175.17 174.76 3ea0 s LEU 87 N -3.81 1.92 -0.32 1.23 2.96 0.17 -1.21 118.68 119.63 3ea0 s LEU 87 Ca 0.34 -0.13 -0.01 0.00 -0.22 0.00 0.00 54.13 54.11 3ea0 s LEU 87 Cb -0.07 -0.37 0.07 0.00 0.50 0.00 0.00 46.19 46.32 3ea0 s LEU 87 CO 0.23 0.07 0.03 -0.63 -1.32 0.00 0.00 176.35 174.73 3ea0 s ILE 88 N -0.02 2.84 0.70 6.68 1.01 0.35 -0.92 121.20 131.83 3ea0 s ILE 88 Ca 0.01 -1.67 -0.11 0.00 0.00 0.00 0.00 60.65 58.88 3ea0 s ILE 88 Cb -0.04 -2.75 0.01 0.00 0.01 0.00 0.00 42.46 39.69 3ea0 s ILE 88 CO -0.00 -0.27 1.06 -2.84 0.00 0.00 0.00 174.94 172.89 3ea0 s PRO 89 N 1.17 2.85 0.66 2.79 0.02 -1.26 -1.80 135.00 139.43 3ea0 s PRO 89 Ca -0.01 0.99 -0.14 0.00 0.02 0.00 0.00 61.00 61.86 3ea0 s PRO 89 Cb -0.20 -1.98 -0.00 0.00 0.02 0.00 0.00 34.50 32.34 3ea0 s PRO 89 CO -0.03 -1.17 1.09 0.45 -0.33 0.00 0.00 177.00 177.01 3ea0 s SER 90 N -3.73 5.25 0.37 2.53 0.15 -1.26 -1.14 113.70 115.87 3ea0 s SER 90 Ca 0.59 1.87 -0.28 0.00 0.70 0.00 0.00 55.95 58.83 3ea0 s SER 90 Cb -0.14 -2.53 -0.10 0.00 -1.71 0.00 0.00 66.02 61.53 3ea0 s SER 90 CO 0.55 -1.53 1.36 -2.84 1.20 0.00 0.00 173.24 171.97 3ea0 s PRO 91 N -4.33 4.16 0.23 5.44 0.02 -1.26 -4.68 135.00 134.57 3ea0 s PRO 91 Ca 0.64 2.30 0.17 0.00 0.02 0.00 0.00 61.00 64.13 3ea0 s PRO 91 Cb -0.18 -2.94 0.03 0.00 0.02 0.00 0.00 34.50 31.43 3ea0 s PRO 91 CO 0.44 -0.39 1.26 0.00 -0.33 0.00 0.00 177.00 177.98 3ea0 h ALA 92 N 3.04 0.68 -2.68 -1.55 0.00 -1.97 -3.40 119.26 113.39 3ea0 h ALA 92 Ca -0.50 -0.48 -0.63 0.00 0.00 0.00 0.00 54.91 53.30 3ea0 h ALA 92 Cb 1.24 0.03 -0.16 0.00 0.00 0.00 0.00 17.79 18.90 3ea0 h ALA 92 CO 0.64 0.59 -0.78 0.95 0.00 0.00 0.00 179.25 180.65 3ea0 s THR 93 N -3.01 2.47 0.01 0.00 -4.23 -1.26 -5.01 115.64 104.62 3ea0 s THR 93 Ca 0.02 -2.20 0.24 0.00 -1.18 0.00 0.00 61.69 58.57 3ea0 s THR 93 Cb 0.08 -2.25 0.25 0.00 1.34 0.00 0.00 72.50 71.92 3ea0 s THR 93 CO 0.76 -0.26 1.77 0.15 -0.54 0.00 0.00 174.62 176.49 3ea0 h PHE 94 N 2.70 0.00 0.19 3.99 3.04 -2.01 -3.17 116.94 121.68 3ea0 h PHE 94 Ca -0.43 0.00 -0.01 0.00 3.98 0.00 0.00 57.97 61.51 3ea0 h PHE 94 Cb 1.23 0.00 -0.00 0.00 2.56 0.00 0.00 35.95 39.74 3ea0 h PHE 94 CO 0.75 0.20 -0.15 0.93 -2.02 0.00 0.00 178.31 178.02 3ea0 h GLU 95 N 0.00 -0.31 -0.91 1.11 4.39 -2.00 -3.10 114.58 113.75 3ea0 h GLU 95 Ca -0.00 0.02 0.18 0.00 0.34 0.00 0.00 59.36 59.90 3ea0 h GLU 95 Cb 0.84 0.07 -0.17 0.00 -0.10 0.00 0.00 28.75 29.39 3ea0 h GLU 95 CO 0.03 -0.21 -0.25 0.87 -1.16 0.00 0.00 179.01 178.29 3ea0 h LYS 96 N -0.33 -0.01 -0.94 2.33 1.79 -1.98 0.92 116.57 118.35 3ea0 h LYS 96 Ca -0.02 0.00 0.26 0.00 -2.18 0.00 0.00 60.65 58.71 3ea0 h LYS 96 Cb 0.27 0.00 -0.05 0.00 -1.58 0.00 0.00 32.23 30.88 3ea0 h LYS 96 CO 0.00 -0.00 0.67 0.82 -1.08 0.00 0.00 179.45 179.85 3ea0 h ILE 97 N -0.01 0.55 0.00 1.86 2.04 -1.51 0.02 117.51 120.46 3ea0 h ILE 97 Ca 0.42 -0.03 0.00 0.00 1.00 0.00 0.00 64.86 66.25 3ea0 h ILE 97 Cb 0.66 0.46 0.00 0.00 -0.74 0.00 0.00 36.82 37.19 3ea0 h ILE 97 CO -0.93 0.02 -0.23 -0.37 0.00 0.00 0.00 178.15 176.63 3ea0 h VAL 98 N 0.08 0.00 -0.01 1.67 -1.51 -0.78 -3.00 116.25 112.70 3ea0 h VAL 98 Ca 0.46 -0.93 0.00 0.00 -1.23 0.00 0.00 66.70 65.00 3ea0 h VAL 98 Cb 1.69 1.81 0.00 0.00 -2.13 0.00 0.00 31.29 32.66 3ea0 h VAL 98 CO -0.05 0.00 -0.12 0.59 -1.23 0.00 0.00 177.57 176.76 3ea0 n ASN 99 N -2.89 1.24 -4.69 4.19 3.02 -0.02 -4.90 115.26 111.21 3ea0 n ASN 99 Ca 0.03 -1.19 -0.42 0.00 -0.03 0.00 0.00 54.58 52.97 3ea0 n ASN 99 Cb 0.52 0.06 -0.03 0.00 -0.61 0.00 0.00 39.78 39.72 3ea0 n ASN 99 CO 0.00 0.00 0.00 -0.51 -2.62 0.00 0.00 177.26 174.13 3ea0 s ILE 100 N -2.24 3.32 -0.23 2.41 -1.16 -1.11 -4.99 121.20 117.20 3ea0 s ILE 100 Ca 0.32 0.73 -0.04 0.00 -0.51 0.00 0.00 60.65 61.15 3ea0 s ILE 100 Cb 0.20 -3.47 -0.00 0.00 0.61 0.00 0.00 42.46 39.80 3ea0 s ILE 100 CO 0.42 -0.00 -0.03 -0.70 -2.81 0.00 0.00 174.94 171.82 3ea0 s GLU 101 N 2.58 3.27 0.15 3.50 2.56 -1.26 -5.02 118.70 124.47 3ea0 s GLU 101 Ca 0.70 -0.70 -0.18 0.00 0.00 0.00 0.00 54.97 54.78 3ea0 s GLU 101 Cb -0.36 -3.05 0.05 0.00 2.00 0.00 0.00 34.13 32.76 3ea0 s GLU 101 CO 0.30 -0.26 1.68 -1.35 -0.56 0.00 0.00 175.26 175.07 3ea0 h PRO 102 N 8.11 -0.02 -0.63 4.30 0.11 -1.93 -1.09 132.00 140.85 3ea0 h PRO 102 Ca -0.39 0.00 0.09 0.00 0.11 0.00 0.00 66.00 65.81 3ea0 h PRO 102 Cb 1.15 0.01 -0.04 0.00 0.11 0.00 0.00 31.00 32.22 3ea0 h PRO 102 CO 0.60 -0.02 0.42 1.49 -0.21 0.00 0.00 178.00 180.28 3ea0 h GLU 103 N -0.02 0.50 -0.20 1.05 4.81 -1.92 -0.73 114.58 118.06 3ea0 h GLU 103 Ca 0.16 -0.03 -0.12 0.00 -0.13 0.00 0.00 59.36 59.23 3ea0 h GLU 103 Cb 0.26 -0.11 -0.01 0.00 0.63 0.00 0.00 28.75 29.52 3ea0 h GLU 103 CO -0.34 0.33 -0.39 0.00 -0.73 0.00 0.00 179.01 177.88 3ea0 h ARG 104 N 0.52 0.46 -0.61 1.92 3.08 -1.55 -0.05 114.38 118.14 3ea0 h ARG 104 Ca 0.29 -0.22 -0.07 0.00 0.07 0.00 0.00 59.98 60.04 3ea0 h ARG 104 Cb 0.44 -0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.47 3ea0 h ARG 104 CO -0.09 0.78 0.09 0.28 -1.07 0.00 0.00 179.97 179.97 3ea0 h VAL 105 N 0.38 1.26 -0.07 2.04 2.07 -0.75 -0.24 116.25 120.95 3ea0 h VAL 105 Ca 0.04 -1.01 0.04 0.00 0.82 0.00 0.00 66.70 66.58 3ea0 h VAL 105 Cb 0.86 0.72 -0.05 0.00 -1.52 0.00 0.00 31.29 31.31 3ea0 h VAL 105 CO 0.07 0.37 -0.22 -1.28 0.02 0.00 0.00 177.57 176.54 3ea0 h SER 106 N 0.93 -0.66 -0.63 0.57 0.87 -0.69 -2.56 113.55 111.38 3ea0 h SER 106 Ca 0.19 0.10 0.04 0.00 -1.23 0.00 0.00 61.79 60.89 3ea0 h SER 106 Cb 0.43 0.29 -0.05 0.00 -0.44 0.00 0.00 62.40 62.63 3ea0 h SER 106 CO 0.01 -0.28 0.37 0.44 -0.53 0.00 0.00 176.83 176.85 3ea0 h ASP 107 N -0.31 0.58 -0.57 6.23 3.45 -0.86 -2.10 116.42 122.83 3ea0 h ASP 107 Ca 0.08 0.01 0.11 0.00 0.43 0.00 0.00 57.03 57.67 3ea0 h ASP 107 Cb 0.42 -0.11 -0.09 0.00 -0.56 0.00 0.00 39.33 39.00 3ea0 h ASP 107 CO -0.25 0.39 0.03 0.25 -1.57 0.00 0.00 179.24 178.10 3ea0 h LEU 108 N 0.71 -0.18 -0.18 1.55 5.85 -0.71 0.42 115.31 122.78 3ea0 h LEU 108 Ca 0.27 0.13 -0.23 0.00 0.84 0.00 0.00 57.88 58.89 3ea0 h LEU 108 Cb 0.09 0.22 0.01 0.00 0.37 0.00 0.00 40.66 41.35 3ea0 h LEU 108 CO -0.14 -0.07 -0.87 -0.29 -0.34 0.00 0.00 178.44 176.73 3ea0 h ILE 109 N 0.15 1.33 0.04 4.05 6.09 -1.18 0.45 117.51 128.44 3ea0 h ILE 109 Ca 0.30 -2.19 0.02 0.00 -1.37 0.00 0.00 64.86 61.61 3ea0 h ILE 109 Cb 0.46 2.21 -0.05 0.00 0.47 0.00 0.00 36.82 39.91 3ea0 h ILE 109 CO -0.46 0.67 -0.53 -0.74 -3.07 0.00 0.00 178.15 174.03 3ea0 h HIS 110 N 0.37 -1.54 -0.04 2.19 2.76 -1.05 -0.28 115.15 117.57 3ea0 h HIS 110 Ca -0.07 0.05 0.03 0.00 -2.20 0.00 0.00 60.37 58.17 3ea0 h HIS 110 Cb 1.50 0.67 -0.06 0.00 1.55 0.00 0.00 27.41 31.07 3ea0 h HIS 110 CO 0.07 -0.57 -0.49 0.82 -1.30 0.00 0.00 177.93 176.46 3ea0 h ILE 111 N -0.69 0.06 -0.54 6.26 1.08 -0.88 -2.34 117.51 120.45 3ea0 h ILE 111 Ca 0.01 0.00 0.16 0.00 -0.39 0.00 0.00 64.86 64.63 3ea0 h ILE 111 Cb 0.72 0.06 -0.02 0.00 -3.07 0.00 0.00 36.82 34.51 3ea0 h ILE 111 CO -0.33 0.00 0.44 0.00 -0.69 0.00 0.00 178.15 177.57 3ea0 h ALA 112 N -0.23 2.41 0.00 1.87 0.00 -0.78 0.17 119.26 122.71 3ea0 h ALA 112 Ca 0.03 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.92 3ea0 h ALA 112 Cb 0.69 0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.52 3ea0 h ALA 112 CO -0.37 -0.71 0.00 0.00 0.00 0.00 0.00 179.25 178.17 3ea0 h ALA 113 N 1.64 1.00 0.00 0.00 0.00 -0.47 -0.74 119.26 120.69 3ea0 h ALA 113 Ca 0.26 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.17 3ea0 h ALA 113 Cb 1.13 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.92 3ea0 h ALA 113 CO -0.00 0.00 -0.75 -1.13 0.00 0.00 0.00 179.25 177.37 3ea0 n SER 114 N -2.68 0.62 -0.01 0.00 3.41 0.59 -0.48 113.62 115.08 3ea0 n SER 114 Ca 0.00 -0.16 0.08 0.00 -0.26 0.00 0.00 58.87 58.53 3ea0 n SER 114 Cb 0.19 0.45 -0.14 0.00 -0.26 0.00 0.00 64.21 64.45 3ea0 n SER 114 CO 0.00 0.00 0.00 0.49 -0.16 0.00 0.00 175.04 175.37 3ea0 n PHE 115 N -1.84 0.00 -4.35 7.33 3.72 -0.32 -4.87 117.46 117.13 3ea0 n PHE 115 Ca 0.03 0.00 -0.22 0.00 -0.05 0.00 0.00 57.45 57.22 3ea0 n PHE 115 Cb 0.40 -0.45 -0.11 0.00 -0.94 0.00 0.00 39.48 38.38 3ea0 n PHE 115 CO 0.00 0.00 0.00 0.71 -0.05 0.00 0.00 176.76 177.42 3ea0 s TYR 116 N -3.25 1.85 0.04 1.38 2.02 -0.96 -4.99 117.35 113.44 3ea0 s TYR 116 Ca -0.07 -0.47 -0.19 0.00 -0.37 0.00 0.00 57.07 55.97 3ea0 s TYR 116 Cb 0.12 -0.90 -0.17 0.00 -0.40 0.00 0.00 41.96 40.61 3ea0 s TYR 116 CO 0.77 0.36 1.26 -0.44 -1.57 0.00 0.00 175.55 175.93 3ea0 h ASP 117 N 3.09 0.54 -4.35 2.29 3.32 -1.46 0.63 116.42 120.47 3ea0 h ASP 117 Ca -0.42 -0.60 -0.44 0.00 0.02 0.00 0.00 57.03 55.60 3ea0 h ASP 117 Cb 1.21 -0.16 -0.24 0.00 0.22 0.00 0.00 39.33 40.36 3ea0 h ASP 117 CO 0.53 1.04 -0.79 -0.31 -1.72 0.00 0.00 179.24 177.99 3ea0 s TYR 118 N -3.85 1.22 -0.11 4.55 2.02 -1.07 -1.68 117.35 118.43 3ea0 s TYR 118 Ca -0.13 -0.37 0.00 0.00 -0.37 0.00 0.00 57.07 56.20 3ea0 s TYR 118 Cb 0.05 -0.72 0.02 0.00 -0.40 0.00 0.00 41.96 40.92 3ea0 s TYR 118 CO 0.80 0.04 -0.09 0.42 -1.57 0.00 0.00 175.55 175.15 3ea0 s ILE 119 N -0.92 1.05 -0.22 2.71 1.01 -1.08 -1.41 121.20 122.34 3ea0 s ILE 119 Ca 0.01 -0.33 -0.09 0.00 0.00 0.00 0.00 60.65 60.25 3ea0 s ILE 119 Cb -0.08 -1.05 -0.04 0.00 0.01 0.00 0.00 42.46 41.30 3ea0 s ILE 119 CO 0.01 0.37 0.10 -0.63 0.00 0.00 0.00 174.94 174.79 3ea0 s ILE 120 N 1.52 4.88 -0.21 2.92 -1.09 0.14 -0.93 121.20 128.44 3ea0 s ILE 120 Ca 0.02 0.01 0.01 0.00 -2.23 0.00 0.00 60.65 58.46 3ea0 s ILE 120 Cb -0.13 -3.25 0.03 0.00 -1.58 0.00 0.00 42.46 37.53 3ea0 s ILE 120 CO -0.06 0.38 -0.16 -0.69 -1.23 0.00 0.00 174.94 173.18 3ea0 s VAL 121 N 0.97 2.18 -0.47 2.92 1.01 0.04 -0.10 120.40 126.95 3ea0 s VAL 121 Ca 0.05 -1.17 -0.23 0.00 0.00 0.00 0.00 61.98 60.63 3ea0 s VAL 121 Cb -0.14 -2.06 0.03 0.00 0.00 0.00 0.00 36.38 34.22 3ea0 s VAL 121 CO 0.03 0.32 0.81 -0.62 0.00 0.00 0.00 175.10 175.65 3ea0 s ASP 122 N 1.23 6.40 0.24 3.32 -1.08 -0.38 0.05 116.67 126.45 3ea0 s ASP 122 Ca 0.00 -0.18 0.25 0.00 -0.52 0.00 0.00 52.55 52.11 3ea0 s ASP 122 Cb -0.16 -2.39 0.67 0.00 -1.46 0.00 0.00 42.92 39.58 3ea0 s ASP 122 CO -0.10 -0.98 1.69 -0.26 0.52 0.00 0.00 175.17 176.05 3ea0 h PHE 123 N 9.04 0.00 0.00 -5.34 -1.00 -0.22 -1.57 116.94 117.86 3ea0 h PHE 123 Ca -0.25 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.53 3ea0 h PHE 123 Cb 1.08 0.00 0.00 0.00 3.61 0.00 0.00 35.95 40.64 3ea0 h PHE 123 CO 0.82 0.00 0.00 0.41 -1.61 0.00 0.00 178.31 177.93 3ea0 n GLY 124 N 1.27 0.21 1.31 -1.45 0.00 -1.25 -4.26 105.19 101.02 3ea0 n GLY 124 Ca 0.05 -1.48 -0.02 0.00 0.00 0.00 0.00 46.02 44.56 3ea0 n GLY 124 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ea0 n ALA 125 N 2.56 4.04 -3.76 4.61 0.00 -1.26 -0.35 120.51 126.35 3ea0 n ALA 125 Ca 0.00 -2.71 -0.05 0.00 0.00 0.00 0.00 53.44 50.68 3ea0 n ALA 125 Cb 0.00 -0.88 -0.02 0.00 0.00 0.00 0.00 19.45 18.55 3ea0 n ALA 125 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 3ea0 s SER 126 N -1.98 -0.22 -0.43 0.00 0.15 -1.26 -4.83 113.70 105.14 3ea0 s SER 126 Ca 0.47 -0.42 -0.06 0.00 0.70 0.00 0.00 55.95 56.64 3ea0 s SER 126 Cb 0.40 0.54 0.11 0.00 -1.71 0.00 0.00 66.02 65.36 3ea0 s SER 126 CO 0.06 -1.00 0.25 -0.63 1.20 0.00 0.00 173.24 173.13 3ea0 s ILE 127 N -3.44 3.70 0.00 6.45 1.01 -1.26 -4.86 121.20 122.80 3ea0 s ILE 127 Ca 0.11 -1.87 0.00 0.00 0.00 0.00 0.00 60.65 58.90 3ea0 s ILE 127 Cb -0.02 -3.46 0.00 0.00 0.01 0.00 0.00 42.46 38.99 3ea0 s ILE 127 CO 0.02 -0.68 0.00 -0.90 0.00 0.00 0.00 174.94 173.38 3ea0 n ASP 128 N 4.74 0.00 0.29 3.58 3.85 -1.26 -4.72 116.55 123.03 3ea0 n ASP 128 Ca -0.05 -0.69 0.16 0.00 -0.71 0.00 0.00 54.79 53.50 3ea0 n ASP 128 Cb 0.41 0.00 0.87 0.00 -1.35 0.00 0.00 41.12 41.06 3ea0 n ASP 128 CO 0.00 0.00 0.00 1.12 -1.01 0.00 0.00 177.20 177.31 3ea0 h HIS 129 N -0.02 0.00 0.07 2.11 2.07 -2.01 -0.84 115.15 116.54 3ea0 h HIS 129 Ca 0.00 0.00 -0.18 0.00 -2.85 0.00 0.00 60.37 57.34 3ea0 h HIS 129 Cb 0.00 0.00 -0.00 0.00 2.57 0.00 0.00 27.41 29.98 3ea0 h HIS 129 CO 0.00 0.05 -0.90 0.28 -3.07 0.00 0.00 177.93 174.29 3ea0 h VAL 130 N 0.00 1.31 -0.18 6.12 2.07 -1.94 -3.38 116.25 120.24 3ea0 h VAL 130 Ca -0.00 -2.38 0.01 0.00 0.82 0.00 0.00 66.70 65.15 3ea0 h VAL 130 Cb 0.24 2.91 -0.01 0.00 -1.52 0.00 0.00 31.29 32.91 3ea0 h VAL 130 CO 0.01 0.62 0.12 1.23 0.02 0.00 0.00 177.57 179.56 3ea0 h GLY 131 N -0.48 0.20 1.03 2.17 0.00 -1.58 -2.77 103.07 101.65 3ea0 h GLY 131 Ca -0.20 -0.07 -0.03 0.00 0.00 0.00 0.00 47.33 47.03 3ea0 h GLY 131 CO 0.02 0.07 0.39 -0.39 0.00 0.00 0.00 176.54 176.63 3ea0 h VAL 132 N 0.19 1.25 0.00 4.60 -1.51 -1.39 -2.21 116.25 117.18 3ea0 h VAL 132 Ca 0.07 -0.69 -0.04 0.00 -1.23 0.00 0.00 66.70 64.81 3ea0 h VAL 132 Cb 0.06 0.23 -0.01 0.00 -2.13 0.00 0.00 31.29 29.43 3ea0 h VAL 132 CO -0.01 0.30 -0.20 -0.50 -1.23 0.00 0.00 177.57 175.92 3ea0 h TRP 133 N 1.13 0.00 0.00 5.19 4.06 -1.70 -2.88 115.95 121.75 3ea0 h TRP 133 Ca 0.28 0.00 -0.01 0.00 2.06 0.00 0.00 58.89 61.21 3ea0 h TRP 133 Cb 0.11 0.00 -0.00 0.00 -1.00 0.00 0.00 29.16 28.26 3ea0 h TRP 133 CO 0.01 0.20 -0.29 0.28 -3.56 0.00 0.00 178.44 175.08 3ea0 h VAL 134 N 0.00 0.08 -0.87 1.49 2.07 -1.40 -3.35 116.25 114.27 3ea0 h VAL 134 Ca -0.00 -1.12 0.17 0.00 0.82 0.00 0.00 66.70 66.57 3ea0 h VAL 134 Cb 0.47 1.92 -0.07 0.00 -1.52 0.00 0.00 31.29 32.10 3ea0 h VAL 134 CO 0.03 0.05 0.57 -0.07 0.02 0.00 0.00 177.57 178.16 3ea0 h LEU 135 N 0.00 0.50 -1.34 2.57 3.38 -1.26 -1.53 115.31 117.63 3ea0 h LEU 135 Ca -0.00 0.04 0.00 0.00 0.09 0.00 0.00 57.88 58.01 3ea0 h LEU 135 Cb 1.04 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 41.74 3ea0 h LEU 135 CO 0.01 0.23 0.00 1.05 0.09 0.00 0.00 178.44 179.82 3ea0 h GLU 136 N 0.52 0.00 -0.02 1.13 4.11 -1.77 -2.75 114.58 115.80 3ea0 h GLU 136 Ca 0.45 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.88 3ea0 h GLU 136 Cb 0.94 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.19 3ea0 h GLU 136 CO -0.18 0.00 -0.27 0.72 0.07 0.00 0.00 179.01 179.35 3ea0 n HIS 137 N -2.49 0.00 -2.73 2.06 8.25 -0.58 -4.95 115.22 114.78 3ea0 n HIS 137 Ca 0.00 0.00 -0.40 0.00 -0.26 0.00 0.00 57.72 57.06 3ea0 n HIS 137 Cb 0.16 -0.01 -0.06 0.00 1.12 0.00 0.00 29.99 31.21 3ea0 n HIS 137 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 3ea0 s LEU 138 N -2.28 4.61 0.09 2.41 1.43 -1.04 -4.73 118.68 119.17 3ea0 s LEU 138 Ca 0.23 1.94 0.17 0.00 -1.03 0.00 0.00 54.13 55.44 3ea0 s LEU 138 Cb 0.19 -3.61 -0.11 0.00 0.03 0.00 0.00 46.19 42.69 3ea0 s LEU 138 CO 0.46 0.09 0.88 0.44 0.23 0.00 0.00 176.35 178.44 3ea0 h ASP 139 N 4.44 0.00 -4.57 2.29 3.32 -1.04 -3.49 116.42 117.37 3ea0 h ASP 139 Ca -0.45 0.00 -0.09 0.00 0.02 0.00 0.00 57.03 56.52 3ea0 h ASP 139 Cb 1.20 0.00 -0.21 0.00 0.22 0.00 0.00 39.33 40.55 3ea0 h ASP 139 CO 0.69 0.52 -0.04 -0.70 -1.72 0.00 0.00 179.24 177.99 3ea0 s GLU 140 N -2.96 0.79 -0.25 3.56 2.12 -1.03 -4.56 118.70 116.36 3ea0 s GLU 140 Ca -0.02 0.34 0.01 0.00 0.36 0.00 0.00 54.97 55.66 3ea0 s GLU 140 Cb 0.09 0.37 0.05 0.00 0.26 0.00 0.00 34.13 34.89 3ea0 s GLU 140 CO 0.81 -0.19 -0.10 -1.17 -0.54 0.00 0.00 175.26 174.06 3ea0 s LEU 141 N -0.64 3.23 -0.34 2.70 2.96 0.13 -0.80 118.68 125.93 3ea0 s LEU 141 Ca -0.07 -1.16 -0.14 0.00 -0.22 0.00 0.00 54.13 52.54 3ea0 s LEU 141 Cb -0.03 -1.58 -0.02 0.00 0.50 0.00 0.00 46.19 45.07 3ea0 s LEU 141 CO 0.05 -0.16 0.28 0.00 -1.32 0.00 0.00 176.35 175.21 3ea0 s ILE 143 N 1.83 5.07 -0.22 0.00 1.01 -0.41 -1.63 121.20 126.84 3ea0 s ILE 143 Ca 0.08 0.67 -0.14 0.00 0.00 0.00 0.00 60.65 61.26 3ea0 s ILE 143 Cb -0.17 -3.85 -0.04 0.00 0.01 0.00 0.00 42.46 38.41 3ea0 s ILE 143 CO 0.11 0.01 0.31 -0.69 0.00 0.00 0.00 174.94 174.68 3ea0 s VAL 144 N 2.30 5.26 0.05 2.92 1.01 -0.13 -0.87 120.40 130.94 3ea0 s VAL 144 Ca 0.19 0.51 -0.01 0.00 0.00 0.00 0.00 61.98 62.68 3ea0 s VAL 144 Cb -0.16 -3.65 -0.04 0.00 0.00 0.00 0.00 36.38 32.54 3ea0 s VAL 144 CO 0.11 0.28 -0.03 0.28 0.00 0.00 0.00 175.10 175.74 3ea0 s THR 145 N 1.24 0.23 0.33 3.92 -1.32 -0.17 -0.63 115.64 119.24 3ea0 s THR 145 Ca 0.15 -1.63 0.10 0.00 -1.21 0.00 0.00 61.69 59.10 3ea0 s THR 145 Cb -0.14 -1.26 -0.06 0.00 -1.51 0.00 0.00 72.50 69.52 3ea0 s THR 145 CO 0.07 -0.88 -0.08 0.42 -2.21 0.00 0.00 174.62 171.94 3ea0 s THR 146 N -3.37 2.41 -1.14 5.08 -4.23 -1.26 -0.26 115.64 112.87 3ea0 s THR 146 Ca 0.02 -2.16 -0.18 0.00 -1.18 0.00 0.00 61.69 58.20 3ea0 s THR 146 Cb 0.04 -2.65 -0.05 0.00 1.34 0.00 0.00 72.50 71.17 3ea0 s THR 146 CO -0.08 -0.23 2.10 -2.65 -0.54 0.00 0.00 174.62 173.22 3ea0 n PRO 147 N -0.82 2.23 -3.92 3.99 -0.02 -1.26 -4.44 135.00 130.76 3ea0 n PRO 147 Ca -0.05 -2.24 -0.10 0.00 -2.02 0.00 0.00 63.50 59.09 3ea0 n PRO 147 Cb 0.63 -3.11 -0.12 0.00 -0.02 0.00 0.00 33.50 30.88 3ea0 n PRO 147 CO 0.00 0.00 0.00 -1.54 1.98 0.00 0.00 175.50 175.94 3ea0 s SER 148 N 4.02 0.10 0.19 2.55 1.04 -1.26 -4.70 113.70 115.65 3ea0 s SER 148 Ca 0.52 -0.24 -0.12 0.00 0.48 0.00 0.00 55.95 56.59 3ea0 s SER 148 Cb 0.14 0.10 0.13 0.00 0.10 0.00 0.00 66.02 66.50 3ea0 s SER 148 CO 0.01 -0.19 1.82 -0.07 0.98 0.00 0.00 173.24 175.79 3ea0 h LEU 149 N 5.19 0.57 -0.77 2.42 4.07 -1.99 -0.43 115.31 124.37 3ea0 h LEU 149 Ca -0.29 0.00 -0.12 0.00 0.08 0.00 0.00 57.88 57.56 3ea0 h LEU 149 Cb 1.21 -0.12 -0.01 0.00 1.08 0.00 0.00 40.66 42.82 3ea0 h LEU 149 CO 0.44 0.40 -0.36 0.06 -1.08 0.00 0.00 178.44 177.90 3ea0 h GLN 150 N 0.69 0.52 -0.26 1.13 -0.00 -1.97 -1.65 115.11 113.57 3ea0 h GLN 150 Ca 0.23 -0.24 -0.04 0.00 -0.00 0.00 0.00 58.65 58.60 3ea0 h GLN 150 Cb 0.03 -0.01 -0.01 0.00 -0.00 0.00 0.00 27.48 27.49 3ea0 h GLN 150 CO -0.10 0.80 0.01 1.03 -0.00 0.00 0.00 178.83 180.58 3ea0 h SER 151 N 0.44 0.44 -0.17 0.06 0.87 -1.75 -1.67 113.55 111.77 3ea0 h SER 151 Ca 0.05 -0.29 -0.03 0.00 -1.23 0.00 0.00 61.79 60.28 3ea0 h SER 151 Cb 0.83 -0.12 -0.01 0.00 -0.44 0.00 0.00 62.40 62.66 3ea0 h SER 151 CO 0.07 0.63 0.03 -0.07 -0.53 0.00 0.00 176.83 176.95 3ea0 h LEU 152 N 0.25 0.35 -0.21 2.23 3.38 -0.98 -0.02 115.31 120.30 3ea0 h LEU 152 Ca 0.08 -0.05 -0.11 0.00 0.09 0.00 0.00 57.88 57.89 3ea0 h LEU 152 Cb 0.39 -0.09 -0.00 0.00 0.09 0.00 0.00 40.66 41.05 3ea0 h LEU 152 CO 0.01 0.39 -0.28 -0.09 0.09 0.00 0.00 178.44 178.56 3ea0 h ARG 153 N 0.38 0.57 -0.93 1.13 2.43 -1.08 -2.70 114.38 114.17 3ea0 h ARG 153 Ca 0.09 -0.33 -0.01 0.00 -0.81 0.00 0.00 59.98 58.93 3ea0 h ARG 153 Cb 0.21 0.02 -0.05 0.00 -0.42 0.00 0.00 29.97 29.74 3ea0 h ARG 153 CO 0.00 0.93 0.56 0.00 -1.51 0.00 0.00 179.97 179.95 3ea0 h ARG 154 N 0.25 1.27 -0.88 0.20 2.47 -0.86 -2.19 114.38 114.64 3ea0 h ARG 154 Ca 0.02 -0.11 -0.01 0.00 -1.26 0.00 0.00 59.98 58.62 3ea0 h ARG 154 Cb 0.86 -0.27 -0.04 0.00 -1.65 0.00 0.00 29.97 28.87 3ea0 h ARG 154 CO 0.07 0.89 0.51 0.00 0.56 0.00 0.00 179.97 182.00 3ea0 h ALA 155 N 1.33 1.13 -0.44 0.04 0.00 -0.97 -0.75 119.26 119.59 3ea0 h ALA 155 Ca 0.34 -0.11 -0.05 0.00 0.00 0.00 0.00 54.91 55.08 3ea0 h ALA 155 Cb -0.06 -0.35 -0.02 0.00 0.00 0.00 0.00 17.79 17.36 3ea0 h ALA 155 CO -0.06 0.61 0.08 0.78 0.00 0.00 0.00 179.25 180.66 3ea0 h GLY 156 N 1.22 0.78 1.31 0.00 0.00 -1.11 -0.69 103.07 104.58 3ea0 h GLY 156 Ca 0.31 -0.51 -0.02 0.00 0.00 0.00 0.00 47.33 47.11 3ea0 h GLY 156 CO -0.06 0.48 0.31 1.46 0.00 0.00 0.00 176.54 178.73 3ea0 h GLN 157 N 0.59 0.90 -0.30 4.80 4.20 -1.04 -0.24 115.11 124.02 3ea0 h GLN 157 Ca 0.14 -0.12 -0.17 0.00 0.06 0.00 0.00 58.65 58.56 3ea0 h GLN 157 Cb 0.36 -0.17 -0.00 0.00 0.30 0.00 0.00 27.48 27.97 3ea0 h GLN 157 CO 0.01 0.69 -0.50 1.25 -0.67 0.00 0.00 178.83 179.61 3ea0 h LEU 158 N 0.90 0.92 -0.78 1.46 5.85 -0.87 -2.59 115.31 120.20 3ea0 h LEU 158 Ca 0.22 -0.47 -0.11 0.00 0.84 0.00 0.00 57.88 58.36 3ea0 h LEU 158 Cb 0.09 -0.26 -0.01 0.00 0.37 0.00 0.00 40.66 40.85 3ea0 h LEU 158 CO -0.03 1.26 -0.30 -0.07 -0.34 0.00 0.00 178.44 178.96 3ea0 h LEU 159 N 0.66 0.60 -0.26 2.25 3.38 -0.71 -1.88 115.31 119.35 3ea0 h LEU 159 Ca 0.03 -0.23 -0.02 0.00 0.09 0.00 0.00 57.88 57.74 3ea0 h LEU 159 Cb 1.09 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 41.67 3ea0 h LEU 159 CO 0.11 0.87 0.07 0.50 0.09 0.00 0.00 178.44 180.08 3ea0 h LYS 160 N 0.50 0.41 -0.94 1.13 3.64 -1.04 -2.68 116.57 117.61 3ea0 h LYS 160 Ca 0.06 -0.10 0.12 0.00 -1.27 0.00 0.00 60.65 59.46 3ea0 h LYS 160 Cb 0.77 -0.05 -0.07 0.00 -0.41 0.00 0.00 32.23 32.46 3ea0 h LYS 160 CO 0.06 0.50 0.60 1.25 -2.27 0.00 0.00 179.45 179.59 3ea0 h LEU 161 N 0.25 0.81 -0.97 5.20 5.85 -1.20 -2.65 115.31 122.60 3ea0 h LEU 161 Ca 0.08 0.04 -0.02 0.00 0.84 0.00 0.00 57.88 58.81 3ea0 h LEU 161 Cb 0.27 -0.13 -0.04 0.00 0.37 0.00 0.00 40.66 41.14 3ea0 h LEU 161 CO 0.00 0.45 0.41 0.00 -0.34 0.00 0.00 178.44 178.96 3ea0 h LYS 163 N 1.14 0.72 0.00 0.00 1.79 -1.33 -1.72 116.57 117.17 3ea0 h LYS 163 Ca 0.28 -0.04 0.00 0.00 -2.18 0.00 0.00 60.65 58.71 3ea0 h LYS 163 Cb 0.08 -0.16 0.00 0.00 -1.58 0.00 0.00 32.23 30.57 3ea0 h LYS 163 CO -0.04 0.48 0.00 0.39 -1.08 0.00 0.00 179.45 179.20 3ea0 n GLU 164 N -4.67 0.85 -2.85 3.15 4.71 -0.19 -4.83 120.64 116.82 3ea0 n GLU 164 Ca 0.21 0.00 -0.40 0.00 -0.01 0.00 0.00 57.16 56.96 3ea0 n GLU 164 Cb 0.54 -1.21 -0.05 0.00 -1.01 0.00 0.00 31.44 29.71 3ea0 n GLU 164 CO 0.00 0.00 0.00 -0.06 0.09 0.00 0.00 177.13 177.16 3ea0 s PHE 165 N -2.00 3.85 0.28 -0.32 2.99 -0.65 -4.95 117.98 117.19 3ea0 s PHE 165 Ca 0.17 1.71 0.02 0.00 0.00 0.00 0.00 56.93 58.84 3ea0 s PHE 165 Cb 0.08 -2.92 0.62 0.00 0.00 0.00 0.00 43.02 40.80 3ea0 s PHE 165 CO 0.13 0.34 1.78 0.93 -0.00 0.00 0.00 175.22 178.40 3ea0 h GLU 166 N 5.04 0.72 -4.73 0.44 4.39 -1.89 -3.34 114.58 115.21 3ea0 h GLU 166 Ca -0.44 -0.04 -0.67 0.00 0.34 0.00 0.00 59.36 58.54 3ea0 h GLU 166 Cb 1.21 -0.16 -0.37 0.00 -0.10 0.00 0.00 28.75 29.32 3ea0 h GLU 166 CO 0.70 0.48 -0.72 0.21 -1.16 0.00 0.00 179.01 178.52 3ea0 s LYS 167 N -5.92 1.98 0.44 2.33 2.20 -1.26 -5.11 119.74 114.40 3ea0 s LYS 167 Ca -0.12 -1.59 -0.23 0.00 -0.36 0.00 0.00 55.97 53.67 3ea0 s LYS 167 Cb 0.23 -3.16 -0.08 0.00 -1.51 0.00 0.00 37.83 33.32 3ea0 s LYS 167 CO 0.79 -0.78 1.13 -2.14 -0.36 0.00 0.00 175.35 174.00 3ea0 s PRO 168 N 1.07 3.91 -0.22 4.03 0.02 -1.25 -5.00 135.00 137.54 3ea0 s PRO 168 Ca 0.01 1.71 -0.06 0.00 0.02 0.00 0.00 61.00 62.68 3ea0 s PRO 168 Cb -0.20 -2.47 -0.03 0.00 0.02 0.00 0.00 34.50 31.82 3ea0 s PRO 168 CO -0.05 -0.41 0.04 0.42 -0.33 0.00 0.00 177.00 176.66 3ea0 s ILE 169 N -1.56 4.19 -0.26 2.83 1.01 -1.26 -4.97 121.20 121.18 3ea0 s ILE 169 Ca 0.61 -0.22 0.23 0.00 0.00 0.00 0.00 60.65 61.26 3ea0 s ILE 169 Cb -0.27 -2.92 -0.08 0.00 0.01 0.00 0.00 42.46 39.19 3ea0 s ILE 169 CO 0.33 0.40 0.94 -1.54 0.00 0.00 0.00 174.94 175.06 3ea0 n SER 170 N 4.44 0.63 -3.99 3.58 3.41 -1.26 -4.40 113.62 116.04 3ea0 n SER 170 Ca -0.17 0.18 -0.43 0.00 -0.26 0.00 0.00 58.87 58.19 3ea0 n SER 170 Cb 0.52 0.80 0.01 0.00 -0.26 0.00 0.00 64.21 65.28 3ea0 n SER 170 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 3ea0 n ARG 171 N -2.47 4.11 -3.96 4.33 5.12 -1.26 -4.95 116.66 117.58 3ea0 n ARG 171 Ca -0.00 -4.18 -0.35 0.00 -1.93 0.00 0.00 57.85 51.38 3ea0 n ARG 171 Cb 0.53 -2.67 -0.11 0.00 -1.16 0.00 0.00 32.46 29.05 3ea0 n ARG 171 CO 0.00 0.00 0.00 0.42 -1.93 0.00 0.00 177.63 176.12 3ea0 s ILE 172 N -1.51 4.51 -0.07 0.55 1.01 -1.26 0.20 121.20 124.64 3ea0 s ILE 172 Ca 0.34 -0.12 0.04 0.00 0.00 0.00 0.00 60.65 60.92 3ea0 s ILE 172 Cb 0.05 -3.06 -0.01 0.00 0.01 0.00 0.00 42.46 39.45 3ea0 s ILE 172 CO 0.06 0.41 -0.21 -1.61 0.00 0.00 0.00 174.94 173.59 3ea0 s GLU 173 N 0.85 2.75 -0.32 2.79 2.02 -0.17 -4.95 118.70 121.67 3ea0 s GLU 173 Ca 0.03 -0.84 -0.20 0.00 0.02 0.00 0.00 54.97 53.99 3ea0 s GLU 173 Cb -0.14 -2.29 -0.01 0.00 0.10 0.00 0.00 34.13 31.80 3ea0 s GLU 173 CO 0.02 0.36 0.61 0.42 0.02 0.00 0.00 175.26 176.69 3ea0 s ILE 174 N -0.09 4.94 -0.32 -1.63 -1.09 -1.26 -1.29 121.20 120.45 3ea0 s ILE 174 Ca -0.05 0.71 -0.12 0.00 -2.23 0.00 0.00 60.65 58.97 3ea0 s ILE 174 Cb -0.14 -4.01 -0.02 0.00 -1.58 0.00 0.00 42.46 36.71 3ea0 s ILE 174 CO 0.04 -0.19 0.21 -0.63 -1.23 0.00 0.00 174.94 173.14 3ea0 s ILE 175 N 2.59 5.06 -0.48 2.92 -1.09 -0.05 -0.77 121.20 129.39 3ea0 s ILE 175 Ca 0.24 -0.24 -0.24 0.00 -2.23 0.00 0.00 60.65 58.17 3ea0 s ILE 175 Cb -0.15 -3.57 0.03 0.00 -1.58 0.00 0.00 42.46 37.19 3ea0 s ILE 175 CO 0.13 0.04 0.87 -0.22 -1.23 0.00 0.00 174.94 174.53 3ea0 s LEU 176 N 1.69 4.15 0.23 2.97 2.96 0.40 -1.00 118.68 130.09 3ea0 s LEU 176 Ca 0.06 -0.11 -0.08 0.00 -0.22 0.00 0.00 54.13 53.77 3ea0 s LEU 176 Cb -0.17 -3.00 -0.07 0.00 0.50 0.00 0.00 46.19 43.46 3ea0 s LEU 176 CO 0.09 -1.04 0.54 0.21 -1.32 0.00 0.00 176.35 174.83 3ea0 s ASN 177 N 2.36 6.58 -1.36 3.68 2.47 0.64 -0.63 114.94 128.67 3ea0 s ASN 177 Ca 0.32 0.86 -0.08 0.00 0.42 0.00 0.00 52.86 54.38 3ea0 s ASN 177 Cb -0.12 -2.20 0.02 0.00 -1.45 0.00 0.00 41.25 37.51 3ea0 s ASN 177 CO 0.23 -0.09 1.07 0.54 -3.72 0.00 0.00 177.10 175.13 3ea0 n ARG 178 N -0.27 -6.97 0.27 0.43 1.74 0.16 -4.17 116.66 107.85 3ea0 n ARG 178 Ca -0.00 0.77 0.13 0.00 -0.77 0.00 0.00 57.85 57.97 3ea0 n ARG 178 Cb 0.53 -5.74 0.77 0.00 -1.02 0.00 0.00 32.46 26.99 3ea0 n ARG 178 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3ea0 h ALA 179 N 0.97 1.42 -0.53 7.54 0.00 -1.43 -2.86 119.26 124.37 3ea0 h ALA 179 Ca -0.58 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.25 3ea0 h ALA 179 Cb 1.37 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.14 3ea0 h ALA 179 CO 0.57 0.10 0.00 -0.40 0.00 0.00 0.00 179.25 179.53 3ea0 n ASP 180 N -3.80 3.34 -0.07 0.00 5.75 -1.26 -4.57 116.55 115.95 3ea0 n ASP 180 Ca -0.02 -2.16 -0.03 0.00 -0.01 0.00 0.00 54.79 52.57 3ea0 n ASP 180 Cb 0.18 -0.43 -0.16 0.00 -1.03 0.00 0.00 41.12 39.68 3ea0 n ASP 180 CO 0.00 0.00 0.00 0.35 -0.11 0.00 0.00 177.20 177.44 3ea0 n THR 181 N 0.98 0.91 -3.70 2.12 -2.24 -1.08 -4.83 114.28 106.44 3ea0 n THR 181 Ca 0.19 -0.73 -0.30 0.00 -2.27 0.00 0.00 64.05 60.94 3ea0 n THR 181 Cb 0.58 -0.30 -0.14 0.00 -2.10 0.00 0.00 70.33 68.37 3ea0 n THR 181 CO 0.00 0.00 0.00 0.21 -0.57 0.00 0.00 175.07 174.71 3ea0 s ASN 182 N -5.16 3.78 0.42 3.42 3.84 -1.26 -4.97 114.94 115.00 3ea0 s ASN 182 Ca -0.09 -2.07 0.12 0.00 0.21 0.00 0.00 52.86 51.02 3ea0 s ASN 182 Cb 0.09 -0.88 0.96 0.00 -0.55 0.00 0.00 41.25 40.86 3ea0 s ASN 182 CO 0.86 -0.35 1.98 0.28 -2.79 0.00 0.00 177.10 177.08 3ea0 h SER 183 N 7.46 0.44 0.00 -4.21 0.02 -1.93 -2.84 113.55 112.48 3ea0 h SER 183 Ca -0.07 0.01 0.00 0.00 -0.84 0.00 0.00 61.79 60.89 3ea0 h SER 183 Cb 0.98 -0.09 0.00 0.00 0.14 0.00 0.00 62.40 63.43 3ea0 h SER 183 CO 0.45 0.27 0.29 0.03 -1.14 0.00 0.00 176.83 176.74 3ea0 h ARG 184 N 0.49 0.00 -4.85 3.45 2.47 -1.97 -3.18 114.38 110.79 3ea0 h ARG 184 Ca 0.28 0.00 -0.67 0.00 -1.26 0.00 0.00 59.98 58.33 3ea0 h ARG 184 Cb 0.45 0.00 -0.28 0.00 -1.65 0.00 0.00 29.97 28.49 3ea0 h ARG 184 CO -0.08 0.00 -0.67 0.42 0.56 0.00 0.00 179.97 180.19 3ea0 s ILE 185 N -4.09 3.54 0.64 2.04 -1.09 -1.07 -5.11 121.20 116.06 3ea0 s ILE 185 Ca -0.04 -0.80 -0.13 0.00 -2.23 0.00 0.00 60.65 57.45 3ea0 s ILE 185 Cb 0.09 -2.81 -0.01 0.00 -1.58 0.00 0.00 42.46 38.15 3ea0 s ILE 185 CO 0.29 0.14 1.06 0.42 -1.23 0.00 0.00 174.94 175.62 3ea0 s THR 186 N 1.44 3.92 0.33 2.92 -4.23 -1.21 -4.92 115.64 113.88 3ea0 s THR 186 Ca 0.02 0.76 0.01 0.00 -1.18 0.00 0.00 61.69 61.30 3ea0 s THR 186 Cb -0.17 -3.39 0.27 0.00 1.34 0.00 0.00 72.50 70.55 3ea0 s THR 186 CO -0.00 -0.68 1.98 0.77 -0.54 0.00 0.00 174.62 176.15 3ea0 h SER 187 N -0.13 0.83 -0.60 3.99 4.64 -1.96 -1.90 113.55 118.42 3ea0 h SER 187 Ca -0.45 -0.02 -0.01 0.00 -0.47 0.00 0.00 61.79 60.84 3ea0 h SER 187 Cb 1.21 -0.20 -0.03 0.00 -0.31 0.00 0.00 62.40 63.08 3ea0 h SER 187 CO 0.57 0.59 0.33 0.44 -0.87 0.00 0.00 176.83 177.89 3ea0 h ASP 188 N 0.97 0.76 -0.08 4.97 3.32 -1.99 -1.34 116.42 123.03 3ea0 h ASP 188 Ca 0.28 -0.10 -0.14 0.00 0.02 0.00 0.00 57.03 57.10 3ea0 h ASP 188 Cb -0.05 -0.19 -0.01 0.00 0.22 0.00 0.00 39.33 39.30 3ea0 h ASP 188 CO -0.07 0.64 -0.41 -0.08 -1.72 0.00 0.00 179.24 177.60 3ea0 h GLU 189 N 0.82 0.60 -0.42 3.56 4.81 -1.84 -1.29 114.58 120.82 3ea0 h GLU 189 Ca 0.21 -0.31 0.06 0.00 -0.13 0.00 0.00 59.36 59.19 3ea0 h GLU 189 Cb 0.05 0.01 -0.05 0.00 0.63 0.00 0.00 28.75 29.38 3ea0 h GLU 189 CO -0.03 0.90 0.12 0.82 -0.73 0.00 0.00 179.01 180.09 3ea0 h ILE 190 N 0.49 0.83 -0.23 2.32 2.04 -1.10 -0.95 117.51 120.92 3ea0 h ILE 190 Ca 0.04 -0.09 -0.12 0.00 1.00 0.00 0.00 64.86 65.69 3ea0 h ILE 190 Cb 0.92 0.53 -0.01 0.00 -0.74 0.00 0.00 36.82 37.52 3ea0 h ILE 190 CO 0.08 0.05 -0.36 -0.33 0.00 0.00 0.00 178.15 177.59 3ea0 h GLU 191 N 0.27 0.50 -0.28 2.37 5.08 -1.02 -1.69 114.58 119.81 3ea0 h GLU 191 Ca 0.20 -0.23 -0.08 0.00 -1.00 0.00 0.00 59.36 58.24 3ea0 h GLU 191 Cb 0.22 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.45 3ea0 h GLU 191 CO -0.23 0.79 -0.14 0.87 -1.00 0.00 0.00 179.01 179.30 3ea0 h LYS 192 N 0.42 0.60 -0.68 2.33 1.57 -1.01 0.91 116.57 120.71 3ea0 h LYS 192 Ca 0.04 -0.26 -0.07 0.00 -1.87 0.00 0.00 60.65 58.49 3ea0 h LYS 192 Cb 0.83 -0.02 -0.03 0.00 0.08 0.00 0.00 32.23 33.10 3ea0 h LYS 192 CO 0.07 0.84 0.16 0.28 -0.57 0.00 0.00 179.45 180.23 3ea0 h VAL 193 N 0.34 1.26 0.03 0.50 2.07 -1.11 -3.21 116.25 116.13 3ea0 h VAL 193 Ca 0.06 -0.96 -0.24 0.00 0.82 0.00 0.00 66.70 66.38 3ea0 h VAL 193 Cb 0.66 0.58 0.01 0.00 -1.52 0.00 0.00 31.29 31.02 3ea0 h VAL 193 CO 0.04 0.37 -1.03 0.40 0.02 0.00 0.00 177.57 177.37 3ea0 h ILE 194 N 1.02 1.39 0.00 4.57 1.08 -1.25 -3.48 117.51 120.84 3ea0 h ILE 194 Ca 0.21 -2.51 0.00 0.00 -0.39 0.00 0.00 64.86 62.17 3ea0 h ILE 194 Cb 0.37 2.52 0.00 0.00 -3.07 0.00 0.00 36.82 36.64 3ea0 h ILE 194 CO 0.00 0.75 0.00 0.61 -0.69 0.00 0.00 178.15 178.82 3ea0 n GLY 195 N 1.09 0.71 3.26 5.37 0.00 0.31 -4.91 105.19 111.01 3ea0 n GLY 195 Ca -0.08 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.76 3ea0 n GLY 195 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3ea0 s ARG 196 N -0.28 1.07 0.60 1.61 1.81 -1.18 -5.04 118.95 117.54 3ea0 s ARG 196 Ca 0.00 -1.31 -0.15 0.00 -1.72 0.00 0.00 55.73 52.54 3ea0 s ARG 196 Cb 0.00 -0.89 -0.03 0.00 -0.45 0.00 0.00 34.95 33.57 3ea0 s ARG 196 CO 0.00 0.16 1.05 -1.25 -0.68 0.00 0.00 175.30 174.59 3ea0 s PRO 197 N -2.95 3.31 -0.23 3.54 0.04 -1.26 -4.47 135.00 132.98 3ea0 s PRO 197 Ca 0.12 1.17 -0.26 0.00 0.04 0.00 0.00 61.00 62.08 3ea0 s PRO 197 Cb -0.03 -2.03 -0.00 0.00 0.04 0.00 0.00 34.50 32.47 3ea0 s PRO 197 CO 0.03 -0.82 0.88 0.42 0.04 0.00 0.00 177.00 177.55 3ea0 s ILE 198 N -2.51 4.81 -0.01 0.56 1.01 -1.26 -4.24 121.20 119.56 3ea0 s ILE 198 Ca 0.63 1.68 0.11 0.00 0.00 0.00 0.00 60.65 63.07 3ea0 s ILE 198 Cb -0.16 -4.16 -0.23 0.00 0.01 0.00 0.00 42.46 37.92 3ea0 s ILE 198 CO 0.38 -0.08 0.77 0.28 0.00 0.00 0.00 174.94 176.29 3ea0 h SER 199 N 7.58 0.01 -3.93 3.58 0.02 -1.33 -3.48 113.55 116.01 3ea0 h SER 199 Ca -0.23 -0.02 -0.16 0.00 -0.84 0.00 0.00 61.79 60.55 3ea0 h SER 199 Cb 1.09 -0.00 -0.25 0.00 0.14 0.00 0.00 62.40 63.38 3ea0 h SER 199 CO 0.89 1.02 -0.39 -0.75 -1.14 0.00 0.00 176.83 176.46 3ea0 s LYS 200 N -2.62 0.34 -0.19 3.45 2.47 -1.14 -5.04 119.74 117.02 3ea0 s LYS 200 Ca -0.04 0.32 0.01 0.00 -1.56 0.00 0.00 55.97 54.70 3ea0 s LYS 200 Cb 0.08 0.16 0.02 0.00 -1.46 0.00 0.00 37.83 36.64 3ea0 s LYS 200 CO 0.82 -0.05 -0.18 1.03 0.16 0.00 0.00 175.35 177.14 3ea0 s ARG 201 N 0.02 3.00 -0.19 4.03 0.52 -1.26 -0.45 118.95 124.62 3ea0 s ARG 201 Ca -0.01 -0.83 0.01 0.00 -0.52 0.00 0.00 55.73 54.38 3ea0 s ARG 201 Cb -0.02 -2.63 0.03 0.00 0.52 0.00 0.00 34.95 32.84 3ea0 s ARG 201 CO 0.01 -0.23 -0.18 0.42 0.02 0.00 0.00 175.30 175.35 3ea0 s ILE 202 N 1.30 1.99 0.69 1.52 1.01 0.19 -4.98 121.20 122.93 3ea0 s ILE 202 Ca 0.04 -0.99 -0.15 0.00 0.00 0.00 0.00 60.65 59.55 3ea0 s ILE 202 Cb -0.13 -1.86 0.02 0.00 0.01 0.00 0.00 42.46 40.50 3ea0 s ILE 202 CO -0.12 0.44 1.16 -2.16 0.00 0.00 0.00 174.94 174.26 3ea0 s PRO 203 N 1.30 2.48 0.25 2.79 0.04 -1.26 0.37 135.00 140.97 3ea0 s PRO 203 Ca 0.03 1.58 -0.30 0.00 0.04 0.00 0.00 61.00 62.35 3ea0 s PRO 203 Cb -0.14 -1.89 -0.09 0.00 0.04 0.00 0.00 34.50 32.42 3ea0 s PRO 203 CO -0.11 -1.53 0.99 -1.14 0.04 0.00 0.00 177.00 175.24 3ea0 s GLN 204 N -3.97 4.79 -0.41 4.56 0.74 -1.26 -4.41 119.66 119.69 3ea0 s GLN 204 Ca 0.71 1.58 0.05 0.00 0.05 0.00 0.00 55.36 57.75 3ea0 s GLN 204 Cb -0.25 -3.26 0.17 0.00 1.10 0.00 0.00 33.01 30.77 3ea0 s GLN 204 CO 0.43 0.42 0.48 0.34 -0.55 0.00 0.00 175.29 176.41 3ea0 s ASP 205 N -1.04 0.23 0.16 6.67 -1.08 -1.26 -4.91 116.67 115.44 3ea0 s ASP 205 Ca 0.42 -1.70 -0.07 0.00 -0.52 0.00 0.00 52.55 50.68 3ea0 s ASP 205 Cb -0.28 0.91 0.02 0.00 -1.46 0.00 0.00 42.92 42.12 3ea0 s ASP 205 CO 0.35 -0.19 1.47 -0.08 0.52 0.00 0.00 175.17 177.24 3ea0 h GLU 206 N 6.44 0.73 0.40 4.34 4.57 -2.05 -3.20 114.58 125.81 3ea0 h GLU 206 Ca 0.09 -0.44 -0.01 0.00 -1.18 0.00 0.00 59.36 57.81 3ea0 h GLU 206 Cb 1.07 0.05 -0.01 0.00 -0.16 0.00 0.00 28.75 29.69 3ea0 h GLU 206 CO 0.17 1.07 -0.26 -0.44 -1.18 0.00 0.00 179.01 178.37 3ea0 h ASP 207 N 0.57 -0.65 0.00 1.04 3.45 -2.05 -1.78 116.42 116.99 3ea0 h ASP 207 Ca 0.02 0.04 0.00 0.00 0.43 0.00 0.00 57.03 57.52 3ea0 h ASP 207 Cb 1.09 0.20 0.00 0.00 -0.56 0.00 0.00 39.33 40.06 3ea0 h ASP 207 CO 0.11 -0.41 0.00 0.00 -1.57 0.00 0.00 179.24 177.37 3ea0 n ALA 208 N -2.46 0.83 0.00 3.45 0.00 -1.21 -1.33 120.51 119.78 3ea0 n ALA 208 Ca -0.10 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.34 3ea0 n ALA 208 Cb 0.29 -0.76 0.00 0.00 0.00 0.00 0.00 19.45 18.98 3ea0 n ALA 208 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.50 178.44 3ea0 n GLN 210 N 0.46 0.00 -0.33 0.00 7.27 -0.67 -0.54 117.38 123.57 3ea0 n GLN 210 Ca 0.00 0.00 0.03 0.00 0.07 0.00 0.00 57.00 57.10 3ea0 n GLN 210 Cb 0.00 0.00 0.17 0.00 2.41 0.00 0.00 30.24 32.82 3ea0 n GLN 210 CO 0.00 0.00 0.00 0.93 0.07 0.00 0.00 177.06 178.06 3ea0 h GLU 211 N 0.00 0.96 0.46 3.69 5.08 -1.47 -0.89 114.58 122.41 3ea0 h GLU 211 Ca 0.00 -0.06 -0.02 0.00 -1.00 0.00 0.00 59.36 58.28 3ea0 h GLU 211 Cb 0.00 -0.22 0.00 0.00 0.50 0.00 0.00 28.75 29.03 3ea0 h GLU 211 CO 0.00 0.63 -0.25 1.03 -1.00 0.00 0.00 179.01 179.43 3ea0 h SER 212 N 0.98 -0.60 -0.77 1.42 0.87 -1.08 -1.72 113.55 112.66 3ea0 h SER 212 Ca 0.41 0.03 -0.05 0.00 -1.23 0.00 0.00 61.79 60.95 3ea0 h SER 212 Cb 0.26 0.17 -0.03 0.00 -0.44 0.00 0.00 62.40 62.36 3ea0 h SER 212 CO -0.20 -0.41 0.29 -0.07 -0.53 0.00 0.00 176.83 175.91 3ea0 h LEU 213 N -0.66 1.08 -1.00 2.23 3.38 -1.75 -0.80 115.31 117.80 3ea0 h LEU 213 Ca -0.06 -0.18 -0.08 0.00 0.09 0.00 0.00 57.88 57.65 3ea0 h LEU 213 Cb 0.52 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.97 3ea0 h LEU 213 CO 0.08 0.97 -0.16 -0.07 0.09 0.00 0.00 178.44 179.35 3ea0 h LEU 214 N 1.13 0.53 -0.14 1.67 3.38 -1.07 -2.89 115.31 117.91 3ea0 h LEU 214 Ca 0.25 -0.15 0.00 0.00 0.09 0.00 0.00 57.88 58.07 3ea0 h LEU 214 Cb 0.24 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 40.85 3ea0 h LEU 214 CO -0.02 0.71 -0.60 -1.54 0.09 0.00 0.00 178.44 177.08 3ea0 n SER 215 N -4.17 0.82 -1.79 -0.43 3.41 -0.66 -4.97 113.62 105.83 3ea0 n SER 215 Ca 0.00 -0.64 -0.11 0.00 -0.26 0.00 0.00 58.87 57.87 3ea0 n SER 215 Cb 0.36 0.46 0.03 0.00 -0.26 0.00 0.00 64.21 64.80 3ea0 n SER 215 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3ea0 n GLY 216 N 1.47 0.25 3.11 5.00 0.00 -0.34 -4.76 105.19 109.92 3ea0 n GLY 216 Ca 0.06 -0.29 -0.09 0.00 0.00 0.00 0.00 46.02 45.71 3ea0 n GLY 216 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3ea0 s GLN 217 N -5.47 0.66 0.41 1.61 -0.21 -0.98 -2.53 119.66 113.16 3ea0 s GLN 217 Ca 0.23 -1.18 -0.26 0.00 0.02 0.00 0.00 55.36 54.18 3ea0 s GLN 217 Cb -0.10 0.01 -0.10 0.00 1.00 0.00 0.00 33.01 33.82 3ea0 s GLN 217 CO 0.29 -0.06 1.24 0.45 -2.12 0.00 0.00 175.29 175.09 3ea0 n SER 218 N 0.26 2.39 0.28 5.90 2.88 -1.13 -4.53 113.62 119.67 3ea0 n SER 218 Ca -0.15 1.11 0.15 0.00 -1.33 0.00 0.00 58.87 58.65 3ea0 n SER 218 Cb 0.60 -1.48 0.80 0.00 -0.75 0.00 0.00 64.21 63.38 3ea0 n SER 218 CO 0.00 0.00 0.00 1.62 -1.23 0.00 0.00 175.04 175.43 3ea0 h VAL 219 N 2.05 0.42 0.00 2.46 3.04 -1.91 -0.68 116.25 121.63 3ea0 h VAL 219 Ca -0.47 -0.43 -0.02 0.00 -1.01 0.00 0.00 66.70 64.77 3ea0 h VAL 219 Cb 1.30 1.30 -0.00 0.00 -2.01 0.00 0.00 31.29 31.88 3ea0 h VAL 219 CO 0.60 0.08 -0.09 -0.07 -1.01 0.00 0.00 177.57 177.08 3ea0 h LEU 220 N 0.00 0.00 0.00 3.16 3.38 -1.90 0.88 115.31 120.83 3ea0 h LEU 220 Ca -0.00 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 57.91 3ea0 h LEU 220 Cb 0.30 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.04 3ea0 h LEU 220 CO 0.01 0.09 -0.45 0.11 0.09 0.00 0.00 178.44 178.29 3ea0 h LYS 221 N 0.00 0.00 0.00 1.13 1.57 -1.49 -3.22 116.57 114.56 3ea0 h LYS 221 Ca -0.00 0.00 -0.06 0.00 -1.87 0.00 0.00 60.65 58.72 3ea0 h LYS 221 Cb 0.28 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.58 3ea0 h LYS 221 CO 0.01 0.51 -0.28 0.28 -0.57 0.00 0.00 179.45 179.41 3ea0 h VAL 222 N -1.00 0.71 -1.61 0.50 2.07 -1.47 -3.36 116.25 112.09 3ea0 h VAL 222 Ca -0.09 -1.21 -0.47 0.00 0.82 0.00 0.00 66.70 65.75 3ea0 h VAL 222 Cb 0.71 1.77 -0.34 0.00 -1.52 0.00 0.00 31.29 31.91 3ea0 h VAL 222 CO -0.06 0.27 -1.01 0.00 0.02 0.00 0.00 177.57 176.80 3ea0 n ALA 223 N -2.27 1.61 0.30 1.67 0.00 0.30 -4.96 120.51 117.15 3ea0 n ALA 223 Ca -0.00 -3.01 0.19 0.00 0.00 0.00 0.00 53.44 50.61 3ea0 n ALA 223 Cb 0.44 -0.93 0.87 0.00 0.00 0.00 0.00 19.45 19.82 3ea0 n ALA 223 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.50 176.15 3ea0 h PRO 224 N 3.68 0.00 -0.02 0.00 0.11 -1.69 -2.36 132.00 131.72 3ea0 h PRO 224 Ca 0.04 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.15 3ea0 h PRO 224 Cb 0.94 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.05 3ea0 h PRO 224 CO 0.43 0.01 -0.03 1.63 -0.21 0.00 0.00 178.00 179.84 3ea0 n LYS 225 N -3.14 2.00 -2.21 1.05 4.76 -1.26 -4.29 118.16 115.07 3ea0 n LYS 225 Ca -0.01 -1.51 -0.40 0.00 -2.87 0.00 0.00 58.31 53.52 3ea0 n LYS 225 Cb 0.22 -1.47 -0.03 0.00 -1.84 0.00 0.00 35.03 31.92 3ea0 n LYS 225 CO 0.00 0.00 0.00 0.45 -1.37 0.00 0.00 177.40 176.48 3ea0 s SER 226 N -2.04 6.85 0.43 4.39 0.15 -0.89 -4.90 113.70 117.70 3ea0 s SER 226 Ca 0.31 2.56 0.10 0.00 0.70 0.00 0.00 55.95 59.61 3ea0 s SER 226 Cb 0.20 -2.64 0.96 0.00 -1.71 0.00 0.00 66.02 62.83 3ea0 s SER 226 CO 0.33 -0.47 2.07 1.56 1.20 0.00 0.00 173.24 177.93 3ea0 h GLN 227 N 3.39 0.42 -0.44 5.44 1.08 -1.91 0.10 115.11 123.20 3ea0 h GLN 227 Ca -0.48 -0.03 0.08 0.00 -1.45 0.00 0.00 58.65 56.78 3ea0 h GLN 227 Cb 1.22 -0.10 -0.08 0.00 -0.05 0.00 0.00 27.48 28.48 3ea0 h GLN 227 CO 0.65 0.28 -0.04 1.25 -0.95 0.00 0.00 178.83 180.02 3ea0 h LEU 228 N 0.44 -0.27 -0.00 1.46 6.46 -1.91 -1.48 115.31 120.02 3ea0 h LEU 228 Ca 0.14 0.11 -0.15 0.00 -0.12 0.00 0.00 57.88 57.86 3ea0 h LEU 228 Cb 0.03 0.22 0.01 0.00 -0.73 0.00 0.00 40.66 40.19 3ea0 h LEU 228 CO -0.03 -0.09 -0.60 0.28 -0.62 0.00 0.00 178.44 177.38 3ea0 h SER 229 N 0.07 0.53 -0.73 1.25 0.02 -1.29 -2.72 113.55 110.67 3ea0 h SER 229 Ca 0.22 -0.76 0.07 0.00 -0.84 0.00 0.00 61.79 60.48 3ea0 h SER 229 Cb 0.32 -0.16 -0.05 0.00 0.14 0.00 0.00 62.40 62.65 3ea0 h SER 229 CO -0.40 1.22 0.48 0.11 -1.14 0.00 0.00 176.83 177.11 3ea0 h LYS 230 N -0.11 0.71 -0.19 3.45 1.57 -1.11 -0.89 116.57 120.00 3ea0 h LYS 230 Ca -0.07 -0.04 -0.09 0.00 -1.87 0.00 0.00 60.65 58.57 3ea0 h LYS 230 Cb 1.31 -0.16 -0.00 0.00 0.08 0.00 0.00 32.23 33.46 3ea0 h LYS 230 CO 0.12 0.47 -0.24 1.15 -0.57 0.00 0.00 179.45 180.38 3ea0 h THR 231 N 0.74 1.34 -0.27 -0.16 2.02 -1.18 -1.87 112.91 113.52 3ea0 h THR 231 Ca 0.32 -1.43 -0.12 0.00 0.77 0.00 0.00 66.41 65.96 3ea0 h THR 231 Cb 0.31 1.81 -0.01 0.00 -1.74 0.00 0.00 68.15 68.52 3ea0 h THR 231 CO -0.11 0.43 -0.32 0.40 0.37 0.00 0.00 175.52 176.29 3ea0 h ILE 232 N 0.16 1.28 -0.46 3.11 2.04 -1.20 -2.17 117.51 120.27 3ea0 h ILE 232 Ca 0.03 -1.43 -0.03 0.00 1.00 0.00 0.00 64.86 64.43 3ea0 h ILE 232 Cb 0.80 1.43 -0.02 0.00 -0.74 0.00 0.00 36.82 38.29 3ea0 h ILE 232 CO 0.06 0.45 0.19 0.58 0.00 0.00 0.00 178.15 179.43 3ea0 h VAL 233 N 0.48 1.20 -0.51 1.67 2.07 -1.16 -2.22 116.25 117.78 3ea0 h VAL 233 Ca 0.06 -0.63 -0.04 0.00 0.82 0.00 0.00 66.70 66.91 3ea0 h VAL 233 Cb 0.79 0.75 -0.02 0.00 -1.52 0.00 0.00 31.29 31.29 3ea0 h VAL 233 CO 0.06 0.23 0.18 -0.78 0.02 0.00 0.00 177.57 177.29 3ea0 h ASP 234 N 0.61 0.73 -0.39 0.57 3.58 -1.16 -0.67 116.42 119.68 3ea0 h ASP 234 Ca 0.15 -0.19 0.06 0.00 0.42 0.00 0.00 57.03 57.47 3ea0 h ASP 234 Cb 0.19 -0.19 -0.05 0.00 1.72 0.00 0.00 39.33 41.00 3ea0 h ASP 234 CO -0.01 0.72 0.10 -0.25 -2.88 0.00 0.00 179.24 176.91 3ea0 h TRP 235 N 0.69 0.17 0.00 0.28 7.01 -1.31 -1.39 115.95 121.40 3ea0 h TRP 235 Ca 0.17 0.02 -0.04 0.00 2.11 0.00 0.00 58.89 61.15 3ea0 h TRP 235 Cb 0.24 -0.02 -0.01 0.00 -2.10 0.00 0.00 29.16 27.27 3ea0 h TRP 235 CO 0.01 0.04 -0.19 0.00 -2.79 0.00 0.00 178.44 175.51 3ea0 h ALA 236 N 1.28 1.03 0.00 2.65 0.00 -1.14 -2.94 119.26 120.15 3ea0 h ALA 236 Ca 0.19 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.92 3ea0 h ALA 236 Cb 0.20 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.96 3ea0 h ALA 236 CO -0.23 0.24 -0.19 1.25 0.00 0.00 0.00 179.25 180.32 3ea0 h LEU 237 N 0.00 0.00 -2.83 0.00 7.12 -0.17 -3.35 115.31 116.09 3ea0 h LEU 237 Ca -0.00 -0.02 -0.01 0.00 0.13 0.00 0.00 57.88 57.98 3ea0 h LEU 237 Cb 0.70 0.00 -0.02 0.00 -0.53 0.00 0.00 40.66 40.81 3ea0 h LEU 237 CO 0.02 0.01 -0.20 1.41 -0.13 0.00 0.00 178.44 179.56 3ea0 n HIS 238 N -2.69 0.00 -1.22 1.25 8.25 -0.62 -5.07 115.22 115.12 3ea0 n HIS 238 Ca 0.04 -0.88 0.00 0.00 -0.26 0.00 0.00 57.72 56.62 3ea0 n HIS 238 Cb 0.49 -0.15 0.00 0.00 1.12 0.00 0.00 29.99 31.46 3ea0 n HIS 238 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26