#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2c3n s LEU 3 N 0.00 4.33 -0.04 0.99 2.96 -1.26 -3.94 118.68 121.71 2c3n s LEU 3 Ca 0.00 1.87 0.06 0.00 -0.22 0.00 0.00 54.13 55.84 2c3n s LEU 3 Cb 0.00 -3.57 -0.01 0.00 0.50 0.00 0.00 46.19 43.11 2c3n s LEU 3 CO 0.00 -0.49 -0.22 -1.61 -1.32 0.00 0.00 176.35 172.71 2c3n s GLU 4 N 1.59 2.07 -0.17 1.98 2.02 0.77 -0.82 118.70 126.15 2c3n s GLU 4 Ca 0.56 -0.78 0.01 0.00 0.02 0.00 0.00 54.97 54.78 2c3n s GLU 4 Cb -0.26 -1.84 0.02 0.00 0.10 0.00 0.00 34.13 32.15 2c3n s GLU 4 CO 0.26 0.37 -0.19 -0.51 0.02 0.00 0.00 175.26 175.21 2c3n s LEU 5 N -0.22 2.01 -0.39 1.80 1.43 -0.67 -0.89 118.68 121.75 2c3n s LEU 5 Ca 0.00 -0.60 -0.15 0.00 -1.03 0.00 0.00 54.13 52.35 2c3n s LEU 5 Cb -0.11 -1.39 0.01 0.00 0.03 0.00 0.00 46.19 44.72 2c3n s LEU 5 CO 0.02 -0.00 0.34 -0.31 0.23 0.00 0.00 176.35 176.62 2c3n s TYR 6 N 1.27 3.21 0.01 0.29 1.51 0.66 -0.92 117.35 123.38 2c3n s TYR 6 Ca 0.03 -0.34 -0.04 0.00 -1.01 0.00 0.00 57.07 55.71 2c3n s TYR 6 Cb -0.13 -2.67 -0.01 0.00 -0.11 0.00 0.00 41.96 39.04 2c3n s TYR 6 CO -0.11 -0.54 0.07 -0.51 -1.11 0.00 0.00 175.55 173.34 2c3n s LEU 7 N 1.88 1.85 -0.09 -1.29 1.43 -0.69 -1.81 118.68 119.97 2c3n s LEU 7 Ca 0.08 -0.32 -0.00 0.00 -1.03 0.00 0.00 54.13 52.86 2c3n s LEU 7 Cb -0.18 0.42 0.02 0.00 0.03 0.00 0.00 46.19 46.49 2c3n s LEU 7 CO 0.11 -0.33 -0.05 -0.62 0.23 0.00 0.00 176.35 175.69 2c3n s ASP 8 N -1.38 1.77 0.00 2.29 -1.08 -1.26 -1.44 116.67 115.58 2c3n s ASP 8 Ca -0.15 -0.21 0.11 0.00 -0.52 0.00 0.00 52.55 51.78 2c3n s ASP 8 Cb -0.08 -0.66 0.49 0.00 -1.46 0.00 0.00 42.92 41.20 2c3n s ASP 8 CO 0.00 -0.11 1.34 0.18 0.52 0.00 0.00 175.17 177.10 2c3n n LEU 9 N 4.74 0.00 0.08 -1.34 4.77 -1.26 -0.96 117.00 123.03 2c3n n LEU 9 Ca -0.14 0.47 0.04 0.00 -0.03 0.00 0.00 56.01 56.35 2c3n n LEU 9 Cb 0.50 -0.47 0.46 0.00 -2.33 0.00 0.00 43.42 41.59 2c3n n LEU 9 CO 0.17 -0.29 1.08 0.25 -1.33 0.00 0.00 177.39 177.27 2c3n h LEU 10 N 0.00 0.32 -9.51 2.23 5.85 -1.92 -3.40 115.31 108.88 2c3n h LEU 10 Ca 0.00 -0.02 -0.53 0.00 0.84 0.00 0.00 57.88 58.17 2c3n h LEU 10 Cb 0.18 -0.08 -0.02 0.00 0.37 0.00 0.00 40.66 41.11 2c3n h LEU 10 CO 0.00 0.28 0.38 -0.55 -0.34 0.00 0.00 178.44 178.21 2c3n s SER 11 N -6.81 7.42 0.10 1.25 0.15 -0.13 -4.84 113.70 110.84 2c3n s SER 11 Ca -0.07 1.78 -0.31 0.00 0.70 0.00 0.00 55.95 58.05 2c3n s SER 11 Cb 0.17 -2.58 -0.12 0.00 -1.71 0.00 0.00 66.02 61.78 2c3n s SER 11 CO 0.72 -0.16 1.60 1.56 1.20 0.00 0.00 173.24 178.16 2c3n h GLN 12 N 6.03 -0.69 -0.25 5.44 4.20 -1.86 -1.83 115.11 126.14 2c3n h GLN 12 Ca -0.42 0.05 -0.04 0.00 0.06 0.00 0.00 58.65 58.29 2c3n h GLN 12 Cb 1.21 0.16 -0.01 0.00 0.30 0.00 0.00 27.48 29.14 2c3n h GLN 12 CO 0.73 -0.46 -0.02 -1.00 -0.67 0.00 0.00 178.83 177.42 2c3n h PRO 13 N -0.71 0.38 -0.74 1.46 0.13 -1.93 -2.47 132.00 128.13 2c3n h PRO 13 Ca -0.01 -0.07 -0.04 0.00 -0.87 0.00 0.00 66.00 65.01 2c3n h PRO 13 Cb 0.68 -0.06 -0.03 0.00 0.13 0.00 0.00 31.00 31.72 2c3n h PRO 13 CO -0.14 0.43 0.30 0.00 -0.23 0.00 0.00 178.00 178.37 2c3n h ARG 15 N 1.06 1.00 -0.29 0.00 3.08 -0.88 0.20 114.38 118.55 2c3n h ARG 15 Ca 0.25 -0.06 0.01 0.00 0.07 0.00 0.00 59.98 60.25 2c3n h ARG 15 Cb 0.20 -0.23 -0.02 0.00 0.08 0.00 0.00 29.97 30.01 2c3n h ARG 15 CO -0.02 0.66 0.17 0.00 -1.07 0.00 0.00 179.97 179.71 2c3n h ALA 16 N 1.31 0.36 -0.39 0.04 0.00 -1.17 -0.41 119.26 119.00 2c3n h ALA 16 Ca 0.30 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 55.18 2c3n h ALA 16 Cb -0.07 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 17.62 2c3n h ALA 16 CO -0.08 -0.20 0.17 0.28 0.00 0.00 0.00 179.25 179.41 2c3n h VAL 17 N 0.35 1.19 -0.04 0.00 2.07 -1.03 -1.17 116.25 117.62 2c3n h VAL 17 Ca 0.11 -0.56 -0.00 0.00 0.82 0.00 0.00 66.70 67.07 2c3n h VAL 17 Cb -0.01 0.82 -0.00 0.00 -1.52 0.00 0.00 31.29 30.58 2c3n h VAL 17 CO -0.05 0.21 0.02 0.22 0.02 0.00 0.00 177.57 177.99 2c3n h TYR 18 N 0.49 0.05 -0.21 1.57 3.20 -0.79 -1.15 116.97 120.13 2c3n h TYR 18 Ca 0.13 -0.00 0.01 0.00 3.14 0.00 0.00 58.73 62.02 2c3n h TYR 18 Cb 0.16 -0.02 -0.02 0.00 1.54 0.00 0.00 36.73 38.40 2c3n h TYR 18 CO -0.01 0.09 0.10 0.82 -1.64 0.00 0.00 178.16 177.52 2c3n h ILE 19 N -0.01 0.98 -0.40 1.81 2.04 -1.02 -0.75 117.51 120.16 2c3n h ILE 19 Ca 0.01 -0.07 0.04 0.00 1.00 0.00 0.00 64.86 65.84 2c3n h ILE 19 Cb 0.06 0.76 -0.04 0.00 -0.74 0.00 0.00 36.82 36.86 2c3n h ILE 19 CO -0.00 0.04 0.18 0.15 0.00 0.00 0.00 178.15 178.52 2c3n h PHE 20 N 0.21 0.33 -0.32 1.37 3.57 -1.03 0.40 116.94 121.47 2c3n h PHE 20 Ca 0.09 0.02 -0.05 0.00 3.53 0.00 0.00 57.97 61.55 2c3n h PHE 20 Cb 0.03 -0.09 -0.01 0.00 2.79 0.00 0.00 35.95 38.67 2c3n h PHE 20 CO -0.10 0.16 0.01 0.00 -2.23 0.00 0.00 178.31 176.15 2c3n h ALA 21 N 1.22 0.43 -0.33 2.41 0.00 -0.99 -2.44 119.26 119.58 2c3n h ALA 21 Ca 0.17 -0.23 -0.07 0.00 0.00 0.00 0.00 54.91 54.78 2c3n h ALA 21 Cb 0.11 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.77 2c3n h ALA 21 CO -0.14 0.18 -0.07 0.87 0.00 0.00 0.00 179.25 180.09 2c3n h LYS 22 N 0.37 0.63 -0.99 0.00 1.79 -1.00 -0.91 116.57 116.45 2c3n h LYS 22 Ca 0.09 -0.24 0.06 0.00 -2.18 0.00 0.00 60.65 58.39 2c3n h LYS 22 Cb 0.43 -0.04 -0.07 0.00 -1.58 0.00 0.00 32.23 30.98 2c3n h LYS 22 CO 0.02 0.80 0.64 -0.22 -1.08 0.00 0.00 179.45 179.61 2c3n h LYS 23 N 0.41 1.13 -0.19 3.15 1.63 -0.90 -2.38 116.57 119.41 2c3n h LYS 23 Ca 0.08 -0.07 0.00 0.00 -0.85 0.00 0.00 60.65 59.82 2c3n h LYS 23 Cb 0.56 -0.26 0.00 0.00 -0.60 0.00 0.00 32.23 31.94 2c3n h LYS 23 CO 0.03 0.75 0.00 0.09 -3.45 0.00 0.00 179.45 176.87 2c3n n ASN 24 N -4.50 1.69 -3.67 4.20 3.02 -0.92 -4.92 115.26 110.16 2c3n n ASN 24 Ca 0.15 -1.74 -0.27 0.00 -0.03 0.00 0.00 54.58 52.68 2c3n n ASN 24 Cb 0.18 -0.12 0.03 0.00 -0.61 0.00 0.00 39.78 39.26 2c3n n ASN 24 CO 0.00 0.00 0.00 0.47 -2.62 0.00 0.00 177.26 175.11 2c3n n ASP 25 N 0.35 -5.09 -4.67 6.41 8.00 -0.87 -4.93 116.55 115.75 2c3n n ASP 25 Ca 0.16 -0.62 -0.43 0.00 0.71 0.00 0.00 54.79 54.61 2c3n n ASP 25 Cb 0.33 -4.08 -0.02 0.00 -0.02 0.00 0.00 41.12 37.33 2c3n n ASP 25 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 2c3n s ILE 26 N -3.23 4.40 0.05 0.53 1.01 -0.40 -5.00 121.20 118.56 2c3n s ILE 26 Ca 0.57 1.70 -0.31 0.00 0.00 0.00 0.00 60.65 62.62 2c3n s ILE 26 Cb -0.28 -4.10 -0.06 0.00 0.01 0.00 0.00 42.46 38.03 2c3n s ILE 26 CO 0.71 -0.11 1.40 -2.84 0.00 0.00 0.00 174.94 174.09 2c3n s PRO 27 N 3.09 4.30 0.06 2.79 0.02 -1.26 -4.77 135.00 139.23 2c3n s PRO 27 Ca 0.52 2.01 -0.15 0.00 0.02 0.00 0.00 61.00 63.40 2c3n s PRO 27 Cb -0.20 -3.45 0.03 0.00 0.02 0.00 0.00 34.50 30.89 2c3n s PRO 27 CO 0.14 -0.52 0.35 -0.59 -0.33 0.00 0.00 177.00 176.05 2c3n s PHE 28 N 1.90 -0.15 -0.33 6.54 -0.12 -1.26 -4.67 117.98 119.89 2c3n s PHE 28 Ca 0.64 -0.01 -0.20 0.00 -0.05 0.00 0.00 56.93 57.31 2c3n s PHE 28 Cb -0.33 0.15 -0.00 0.00 -0.63 0.00 0.00 43.02 42.20 2c3n s PHE 28 CO 0.28 -0.56 0.63 -2.00 -0.05 0.00 0.00 175.22 173.51 2c3n s GLU 29 N -2.85 3.77 -0.19 1.99 2.12 0.00 -4.98 118.70 118.57 2c3n s GLU 29 Ca -0.03 0.15 -0.29 0.00 0.36 0.00 0.00 54.97 55.16 2c3n s GLU 29 Cb 0.00 -3.77 -0.01 0.00 0.26 0.00 0.00 34.13 30.61 2c3n s GLU 29 CO -0.05 -0.66 1.26 -1.17 -0.54 0.00 0.00 175.26 174.10 2c3n s LEU 30 N 2.65 4.13 -0.41 2.70 2.96 -1.26 -1.66 118.68 127.78 2c3n s LEU 30 Ca 0.24 1.60 -0.04 0.00 -0.22 0.00 0.00 54.13 55.71 2c3n s LEU 30 Cb -0.15 -3.54 0.10 0.00 0.50 0.00 0.00 46.19 43.11 2c3n s LEU 30 CO 0.13 -0.81 0.21 -0.13 -1.32 0.00 0.00 176.35 174.43 2c3n s ARG 31 N 3.61 2.13 0.12 1.98 1.81 -0.10 -4.97 118.95 123.54 2c3n s ARG 31 Ca 0.55 -1.74 -0.31 0.00 -1.72 0.00 0.00 55.73 52.50 2c3n s ARG 31 Cb -0.21 -3.60 -0.08 0.00 -0.45 0.00 0.00 34.95 30.61 2c3n s ARG 31 CO 0.16 -1.04 1.46 0.42 -0.68 0.00 0.00 175.30 175.62 2c3n s ILE 32 N 1.20 3.12 -0.34 1.52 1.01 -1.26 -1.70 121.20 124.76 2c3n s ILE 32 Ca 0.06 0.78 0.02 0.00 0.00 0.00 0.00 60.65 61.51 2c3n s ILE 32 Cb -0.23 -3.50 0.09 0.00 0.01 0.00 0.00 42.46 38.83 2c3n s ILE 32 CO -0.03 0.05 0.05 -0.69 0.00 0.00 0.00 174.94 174.32 2c3n s VAL 33 N 1.30 2.58 -0.70 2.92 1.01 -0.52 -4.89 120.40 122.11 2c3n s VAL 33 Ca 0.67 -2.03 -0.26 0.00 0.00 0.00 0.00 61.98 60.35 2c3n s VAL 33 Cb -0.39 -2.75 0.00 0.00 0.00 0.00 0.00 36.38 33.25 2c3n s VAL 33 CO 0.30 -0.46 1.63 -0.62 0.00 0.00 0.00 175.10 175.95 2c3n s ASP 34 N 1.19 5.66 0.21 3.32 -1.08 -1.26 -4.24 116.67 120.47 2c3n s ASP 34 Ca 0.05 -0.10 -0.10 0.00 -0.52 0.00 0.00 52.55 51.88 2c3n s ASP 34 Cb -0.20 -2.54 0.18 0.00 -1.46 0.00 0.00 42.92 38.89 2c3n s ASP 34 CO -0.06 -2.16 1.88 -0.07 0.52 0.00 0.00 175.17 175.28 2c3n h LEU 35 N 15.05 0.86 -1.46 -1.34 3.38 -1.95 -1.80 115.31 128.06 2c3n h LEU 35 Ca -0.23 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.73 2c3n h LEU 35 Cb 1.10 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 41.64 2c3n h LEU 35 CO 1.25 0.62 0.00 -0.29 0.09 0.00 0.00 178.44 180.11 2c3n h ILE 36 N 1.02 0.00 -0.46 1.22 6.09 -2.03 0.12 117.51 123.47 2c3n h ILE 36 Ca 0.29 -0.34 0.00 0.00 -1.37 0.00 0.00 64.86 63.44 2c3n h ILE 36 Cb -0.09 1.23 0.00 0.00 0.47 0.00 0.00 36.82 38.44 2c3n h ILE 36 CO -0.07 0.00 0.00 0.29 -3.07 0.00 0.00 178.15 175.30 2c3n n LYS 37 N -2.81 2.55 -1.52 2.19 5.02 -0.85 -4.97 118.16 117.77 2c3n n LYS 37 Ca 0.00 -2.35 -0.13 0.00 -2.02 0.00 0.00 58.31 53.82 2c3n n LYS 37 Cb 0.24 -1.53 -0.05 0.00 -0.02 0.00 0.00 35.03 33.67 2c3n n LYS 37 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2c3n n GLY 38 N 1.54 1.11 0.25 0.72 0.00 0.42 -4.91 105.19 104.32 2c3n n GLY 38 Ca 0.21 -0.41 0.08 0.00 0.00 0.00 0.00 46.02 45.89 2c3n n GLY 38 CO 0.00 0.00 0.00 -1.61 0.00 0.00 0.00 173.32 171.71 2c3n h GLN 39 N 0.00 0.00 0.00 1.61 4.15 -1.54 -1.55 115.11 117.78 2c3n h GLN 39 Ca -0.27 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.15 2c3n h GLN 39 Cb 0.90 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.59 2c3n h GLN 39 CO 0.38 0.12 0.00 1.12 -1.93 0.00 0.00 178.83 178.52 2c3n h HIS 40 N 0.00 0.00 -0.33 3.99 2.07 -1.87 -2.53 115.15 116.47 2c3n h HIS 40 Ca -0.00 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.52 2c3n h HIS 40 Cb 0.23 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.21 2c3n h HIS 40 CO 0.00 0.00 0.00 1.28 -3.07 0.00 0.00 177.93 176.14 2c3n n LEU 41 N -2.31 3.33 -4.82 6.12 4.77 -0.59 -4.59 117.00 118.92 2c3n n LEU 41 Ca 0.03 -1.39 -0.32 0.00 -0.03 0.00 0.00 56.01 54.30 2c3n n LEU 41 Cb 0.28 -0.21 0.02 0.00 -2.33 0.00 0.00 43.42 41.18 2c3n n LEU 41 CO 0.23 0.70 0.71 -0.94 -1.33 0.00 0.00 177.39 176.75 2c3n s SER 42 N -1.56 5.70 0.28 -1.43 1.04 -0.95 -4.92 113.70 111.86 2c3n s SER 42 Ca 0.37 1.69 -0.01 0.00 0.48 0.00 0.00 55.95 58.49 2c3n s SER 42 Cb 0.22 -2.51 0.41 0.00 0.10 0.00 0.00 66.02 64.25 2c3n s SER 42 CO 0.31 -1.22 1.83 0.44 0.98 0.00 0.00 173.24 175.58 2c3n h ASP 43 N -0.06 0.74 -0.03 7.02 3.32 -1.94 -1.56 116.42 123.92 2c3n h ASP 43 Ca -0.45 -0.14 0.01 0.00 0.02 0.00 0.00 57.03 56.47 2c3n h ASP 43 Cb 1.21 -0.19 -0.01 0.00 0.22 0.00 0.00 39.33 40.56 2c3n h ASP 43 CO 0.58 0.74 -0.03 0.00 -1.72 0.00 0.00 179.24 178.81 2c3n h ALA 44 N 1.35 -0.00 -0.05 3.45 0.00 -1.93 -2.94 119.26 119.15 2c3n h ALA 44 Ca 0.17 0.01 -0.16 0.00 0.00 0.00 0.00 54.91 54.93 2c3n h ALA 44 Cb 0.31 0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.14 2c3n h ALA 44 CO 0.00 -0.52 -0.67 0.35 0.00 0.00 0.00 179.25 178.41 2c3n h PHE 45 N -0.04 0.27 -0.08 0.00 3.57 -1.74 -2.29 116.94 116.63 2c3n h PHE 45 Ca 0.02 -0.12 0.02 0.00 3.53 0.00 0.00 57.97 61.43 2c3n h PHE 45 Cb 0.07 -0.04 -0.00 0.00 2.79 0.00 0.00 35.95 38.76 2c3n h PHE 45 CO -0.12 0.81 0.11 0.00 -2.23 0.00 0.00 178.31 176.88 2c3n h ALA 46 N 1.16 1.59 -0.03 2.41 0.00 -1.22 0.24 119.26 123.39 2c3n h ALA 46 Ca -0.01 -0.00 -0.20 0.00 0.00 0.00 0.00 54.91 54.69 2c3n h ALA 46 Cb 1.20 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 19.00 2c3n h ALA 46 CO 0.10 -0.15 -0.84 1.96 0.00 0.00 0.00 179.25 180.32 2c3n h GLN 47 N 0.00 0.38 0.23 0.00 1.08 -1.23 -2.55 115.11 113.01 2c3n h GLN 47 Ca 0.04 -0.37 -0.01 0.00 -1.45 0.00 0.00 58.65 56.86 2c3n h GLN 47 Cb 0.25 0.09 0.00 0.00 -0.05 0.00 0.00 27.48 27.77 2c3n h GLN 47 CO -0.00 1.03 -0.11 0.28 -0.95 0.00 0.00 178.83 179.08 2c3n h VAL 48 N 0.24 0.79 -2.91 -0.54 2.07 -0.99 -3.43 116.25 111.48 2c3n h VAL 48 Ca -0.05 -0.86 -0.54 0.00 0.82 0.00 0.00 66.70 66.07 2c3n h VAL 48 Cb 1.45 1.23 -0.40 0.00 -1.52 0.00 0.00 31.29 32.05 2c3n h VAL 48 CO 0.14 0.17 -0.77 0.21 0.02 0.00 0.00 177.57 177.34 2c3n s ASN 49 N -5.28 3.67 0.60 0.57 2.47 0.63 -5.00 114.94 112.60 2c3n s ASN 49 Ca -0.13 -1.38 0.29 0.00 0.42 0.00 0.00 52.86 52.05 2c3n s ASN 49 Cb 0.01 -0.51 1.51 0.00 -1.45 0.00 0.00 41.25 40.82 2c3n s ASN 49 CO 0.52 -0.43 1.92 -0.65 -3.72 0.00 0.00 177.10 174.73 2c3n h PRO 50 N 8.31 0.00 0.00 0.43 0.11 -1.68 0.14 132.00 139.30 2c3n h PRO 50 Ca -0.18 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.93 2c3n h PRO 50 Cb 1.01 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.12 2c3n h PRO 50 CO 0.45 0.00 0.00 1.28 -0.21 0.00 0.00 178.00 179.52 2c3n n LEU 51 N -3.55 0.24 -3.43 2.35 4.77 -1.26 -4.93 117.00 111.19 2c3n n LEU 51 Ca 0.06 0.54 -0.23 0.00 -0.03 0.00 0.00 56.01 56.35 2c3n n LEU 51 Cb 0.58 -0.50 0.07 0.00 -2.33 0.00 0.00 43.42 41.24 2c3n n LEU 51 CO 0.25 -0.25 0.20 0.29 -1.33 0.00 0.00 177.39 176.55 2c3n n LYS 52 N -1.75 -7.30 -4.20 3.23 5.02 0.48 -5.01 118.16 108.64 2c3n n LYS 52 Ca 0.04 0.83 -0.15 0.00 -2.02 0.00 0.00 58.31 57.01 2c3n n LYS 52 Cb 0.25 -5.80 -0.11 0.00 -0.02 0.00 0.00 35.03 29.35 2c3n n LYS 52 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 2c3n s LYS 53 N -6.18 0.91 0.22 1.97 1.02 -1.26 -4.72 119.74 111.71 2c3n s LYS 53 Ca 0.53 -1.23 0.10 0.00 0.02 0.00 0.00 55.97 55.39 2c3n s LYS 53 Cb -0.23 -0.59 -0.04 0.00 -0.52 0.00 0.00 37.83 36.44 2c3n s LYS 53 CO 0.65 0.09 -0.14 0.14 -0.92 0.00 0.00 175.35 175.17 2c3n s VAL 54 N -2.62 2.86 0.59 3.17 -7.23 -1.26 -4.44 120.40 111.47 2c3n s VAL 54 Ca 0.08 -1.97 -0.15 0.00 -1.81 0.00 0.00 61.98 58.14 2c3n s VAL 54 Cb -0.02 -2.45 -0.04 0.00 0.56 0.00 0.00 36.38 34.43 2c3n s VAL 54 CO 0.00 -0.23 1.03 -2.16 -0.31 0.00 0.00 175.10 173.44 2c3n s PRO 55 N -3.10 3.50 0.03 4.82 0.04 -1.26 -4.78 135.00 134.25 2c3n s PRO 55 Ca 0.26 1.02 0.02 0.00 0.04 0.00 0.00 61.00 62.34 2c3n s PRO 55 Cb -0.07 -2.07 -0.02 0.00 0.04 0.00 0.00 34.50 32.38 2c3n s PRO 55 CO 0.15 -0.65 -0.08 0.00 0.04 0.00 0.00 177.00 176.46 2c3n s ALA 56 N -2.71 0.61 -0.05 8.56 0.00 -0.75 -4.23 121.76 123.19 2c3n s ALA 56 Ca 0.60 -0.60 0.03 0.00 0.00 0.00 0.00 51.96 52.00 2c3n s ALA 56 Cb -0.13 -0.04 -0.03 0.00 0.00 0.00 0.00 23.12 22.93 2c3n s ALA 56 CO 0.40 0.06 -0.13 -1.17 0.00 0.00 0.00 175.76 174.91 2c3n s LEU 57 N -1.04 2.78 -0.06 0.00 0.20 0.23 -0.25 118.68 120.54 2c3n s LEU 57 Ca -0.04 -0.18 0.01 0.00 0.69 0.00 0.00 54.13 54.60 2c3n s LEU 57 Cb -0.07 -1.57 0.02 0.00 -0.43 0.00 0.00 46.19 44.14 2c3n s LEU 57 CO 0.00 0.34 -0.06 -0.75 -0.29 0.00 0.00 176.35 175.59 2c3n s LYS 58 N -0.70 1.11 -0.44 1.98 2.47 -0.07 -1.06 119.74 123.03 2c3n s LYS 58 Ca 0.11 -0.17 0.03 0.00 -1.56 0.00 0.00 55.97 54.38 2c3n s LYS 58 Cb -0.11 -1.11 0.16 0.00 -1.46 0.00 0.00 37.83 35.31 2c3n s LYS 58 CO 0.01 -0.12 0.32 0.34 0.16 0.00 0.00 175.35 176.06 2c3n s ASP 59 N 1.13 2.48 1.63 1.43 -1.08 0.23 -0.16 116.67 122.32 2c3n s ASP 59 Ca -0.07 -2.92 0.00 0.00 -0.52 0.00 0.00 52.55 49.04 2c3n s ASP 59 Cb -0.14 -0.66 0.00 0.00 -1.46 0.00 0.00 42.92 40.66 2c3n s ASP 59 CO -0.01 -0.20 0.00 0.61 0.52 0.00 0.00 175.17 176.09 2c3n n GLY 60 N 3.09 3.03 0.12 2.66 0.00 -1.25 -2.16 105.19 110.68 2c3n n GLY 60 Ca 0.22 -0.19 0.14 0.00 0.00 0.00 0.00 46.02 46.19 2c3n n GLY 60 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2c3n n ASP 61 N 7.48 0.38 -4.67 1.61 8.00 -1.26 -4.80 116.55 123.28 2c3n n ASP 61 Ca 0.00 -1.19 -0.37 0.00 0.71 0.00 0.00 54.79 53.94 2c3n n ASP 61 Cb 0.00 -0.00 -0.09 0.00 -0.02 0.00 0.00 41.12 41.01 2c3n n ASP 61 CO 0.00 0.00 0.00 0.12 -0.39 0.00 0.00 177.20 176.93 2c3n s PHE 62 N -1.99 3.34 -0.02 1.24 5.36 -0.92 -5.08 117.98 119.92 2c3n s PHE 62 Ca 0.42 0.34 0.07 0.00 -0.96 0.00 0.00 56.93 56.81 2c3n s PHE 62 Cb 0.20 -2.33 -0.02 0.00 -0.34 0.00 0.00 43.02 40.54 2c3n s PHE 62 CO 0.34 0.07 -0.23 0.99 -1.46 0.00 0.00 175.22 174.92 2c3n s THR 63 N 1.06 1.82 -0.02 0.12 2.01 -1.26 -0.60 115.64 118.77 2c3n s THR 63 Ca 0.11 -0.98 -0.01 0.00 0.31 0.00 0.00 61.69 61.12 2c3n s THR 63 Cb -0.14 -1.51 0.01 0.00 0.01 0.00 0.00 72.50 70.87 2c3n s THR 63 CO 0.05 0.51 0.04 -0.22 -0.69 0.00 0.00 174.62 174.31 2c3n s LEU 64 N -0.47 1.53 0.52 4.42 2.96 -0.23 -5.00 118.68 122.41 2c3n s LEU 64 Ca 0.07 0.07 0.03 0.00 -0.22 0.00 0.00 54.13 54.08 2c3n s LEU 64 Cb -0.09 0.06 0.01 0.00 0.50 0.00 0.00 46.19 46.66 2c3n s LEU 64 CO -0.00 -0.06 0.19 0.42 -1.32 0.00 0.00 176.35 175.57 2c3n s THR 65 N 0.47 1.44 0.08 3.68 -4.23 -1.26 -0.60 115.64 115.22 2c3n s THR 65 Ca -0.04 -1.76 0.00 0.00 -1.18 0.00 0.00 61.69 58.71 2c3n s THR 65 Cb -0.05 -2.20 0.00 0.00 1.34 0.00 0.00 72.50 71.59 2c3n s THR 65 CO -0.01 0.00 0.00 -0.62 -0.54 0.00 0.00 174.62 173.45 2c3n n GLU 66 N -1.48 -2.21 -0.31 3.99 -0.58 -1.26 -4.35 120.64 114.44 2c3n n GLU 66 Ca -0.11 1.87 0.06 0.00 -0.42 0.00 0.00 57.16 58.57 2c3n n GLU 66 Cb 0.66 -1.69 0.22 0.00 -0.57 0.00 0.00 31.44 30.05 2c3n n GLU 66 CO 0.00 0.00 0.00 0.66 -0.48 0.00 0.00 177.13 177.31 2c3n h SER 67 N 1.71 0.63 -0.37 1.62 4.64 -1.91 -0.25 113.55 119.61 2c3n h SER 67 Ca 0.00 0.08 -0.02 0.00 -0.47 0.00 0.00 61.79 61.37 2c3n h SER 67 Cb 0.00 -0.04 -0.02 0.00 -0.31 0.00 0.00 62.40 62.04 2c3n h SER 67 CO 0.00 0.30 0.14 0.58 -0.87 0.00 0.00 176.83 176.98 2c3n h VAL 68 N 0.72 1.19 -0.56 0.95 2.07 -1.97 0.12 116.25 118.77 2c3n h VAL 68 Ca 0.46 -0.61 -0.06 0.00 0.82 0.00 0.00 66.70 67.31 2c3n h VAL 68 Cb 0.57 0.90 -0.02 0.00 -1.52 0.00 0.00 31.29 31.22 2c3n h VAL 68 CO -0.32 0.22 0.09 0.00 0.02 0.00 0.00 177.57 177.58 2c3n h ALA 69 N 0.99 1.11 -0.23 1.67 0.00 -1.63 -2.05 119.26 119.11 2c3n h ALA 69 Ca 0.12 -0.24 -0.05 0.00 0.00 0.00 0.00 54.91 54.74 2c3n h ALA 69 Cb 0.20 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.76 2c3n h ALA 69 CO -0.01 0.58 -0.06 0.82 0.00 0.00 0.00 179.25 180.59 2c3n h ILE 70 N 0.84 1.28 -0.76 0.00 2.04 -0.67 -0.69 117.51 119.56 2c3n h ILE 70 Ca 0.18 -1.05 0.03 0.00 1.00 0.00 0.00 64.86 65.01 2c3n h ILE 70 Cb 0.37 1.50 -0.05 0.00 -0.74 0.00 0.00 36.82 37.90 2c3n h ILE 70 CO 0.01 0.33 0.49 -0.07 0.00 0.00 0.00 178.15 178.90 2c3n h LEU 71 N 0.19 0.81 -0.52 1.44 3.38 -0.62 -0.81 115.31 119.18 2c3n h LEU 71 Ca 0.06 -0.00 -0.15 0.00 0.09 0.00 0.00 57.88 57.87 2c3n h LEU 71 Cb 0.52 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 41.08 2c3n h LEU 71 CO 0.02 0.56 -0.45 -0.07 0.09 0.00 0.00 178.44 178.60 2c3n h LEU 72 N 0.95 0.76 -0.41 1.67 3.38 -1.28 -1.23 115.31 119.14 2c3n h LEU 72 Ca 0.30 -0.36 -0.01 0.00 0.09 0.00 0.00 57.88 57.90 2c3n h LEU 72 Cb 0.00 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 40.52 2c3n h LEU 72 CO -0.11 1.10 0.21 0.22 0.09 0.00 0.00 178.44 179.95 2c3n h TYR 73 N 0.56 0.59 -0.42 1.13 5.03 -0.75 -1.95 116.97 121.17 2c3n h TYR 73 Ca 0.04 -0.02 -0.11 0.00 2.58 0.00 0.00 58.73 61.21 2c3n h TYR 73 Cb 1.00 -0.18 -0.02 0.00 1.55 0.00 0.00 36.73 39.08 2c3n h TYR 73 CO 0.05 0.47 -0.19 -0.07 -1.32 0.00 0.00 178.16 177.10 2c3n h LEU 74 N 0.53 0.81 -0.46 2.82 3.38 -1.03 0.96 115.31 122.32 2c3n h LEU 74 Ca 0.14 -0.28 0.07 0.00 0.09 0.00 0.00 57.88 57.91 2c3n h LEU 74 Cb 0.09 -0.22 -0.06 0.00 0.09 0.00 0.00 40.66 40.56 2c3n h LEU 74 CO -0.02 0.99 0.11 0.74 0.09 0.00 0.00 178.44 180.35 2c3n h THR 75 N 0.71 0.78 0.01 0.22 2.02 -1.00 -1.91 112.91 113.74 2c3n h THR 75 Ca 0.10 -0.09 -0.03 0.00 0.77 0.00 0.00 66.41 67.17 2c3n h THR 75 Cb 0.70 0.50 0.00 0.00 -1.74 0.00 0.00 68.15 67.61 2c3n h THR 75 CO 0.05 0.05 -0.11 0.03 0.37 0.00 0.00 175.52 175.91 2c3n h ARG 76 N 0.25 0.06 -0.69 6.66 3.08 -0.99 -2.77 114.38 119.98 2c3n h ARG 76 Ca 0.22 -0.07 -0.04 0.00 0.07 0.00 0.00 59.98 60.16 2c3n h ARG 76 Cb 0.27 0.02 -0.03 0.00 0.08 0.00 0.00 29.97 30.32 2c3n h ARG 76 CO -0.28 0.91 0.26 -0.22 -1.07 0.00 0.00 179.97 179.57 2c3n h LYS 77 N -0.76 1.03 -0.53 0.04 3.64 -0.79 -2.98 116.57 116.22 2c3n h LYS 77 Ca -0.02 -0.18 0.00 0.00 -1.27 0.00 0.00 60.65 59.18 2c3n h LYS 77 Cb 0.95 -0.17 0.00 0.00 -0.41 0.00 0.00 32.23 32.60 2c3n h LYS 77 CO 0.02 0.85 0.00 0.66 -2.27 0.00 0.00 179.45 178.71 2c3n n TYR 78 N -4.29 0.70 -3.71 1.91 4.02 -0.72 -4.97 117.16 110.09 2c3n n TYR 78 Ca 0.06 -0.41 -0.22 0.00 -0.01 0.00 0.00 57.90 57.32 2c3n n TYR 78 Cb 0.19 -0.01 0.03 0.00 -0.02 0.00 0.00 39.34 39.53 2c3n n TYR 78 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 176.86 177.48 2c3n n LYS 79 N 1.33 -4.93 -1.17 -0.72 5.02 -1.06 -4.93 118.16 111.69 2c3n n LYS 79 Ca 0.20 0.62 -0.30 0.00 -2.02 0.00 0.00 58.31 56.80 2c3n n LYS 79 Cb 0.56 -5.19 0.13 0.00 -0.02 0.00 0.00 35.03 30.51 2c3n n LYS 79 CO 0.00 0.00 0.00 0.14 -0.52 0.00 0.00 177.40 177.02 2c3n s VAL 80 N -3.66 2.84 0.37 -0.18 -7.23 -1.12 -4.96 120.40 106.47 2c3n s VAL 80 Ca 0.04 0.27 -0.26 0.00 -1.81 0.00 0.00 61.98 60.22 2c3n s VAL 80 Cb -0.02 -2.71 -0.12 0.00 0.56 0.00 0.00 36.38 34.09 2c3n s VAL 80 CO 0.81 -0.36 1.14 -2.65 -0.31 0.00 0.00 175.10 173.74 2c3n n PRO 81 N -3.81 1.69 0.13 4.82 -0.02 -1.26 -4.86 135.00 131.69 2c3n n PRO 81 Ca 0.08 0.60 0.12 0.00 -2.02 0.00 0.00 63.50 62.28 2c3n n PRO 81 Cb 0.54 -2.15 0.49 0.00 -0.02 0.00 0.00 33.50 32.36 2c3n n PRO 81 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 2c3n n ASP 82 N 0.68 0.69 0.28 2.55 8.00 -1.26 -3.05 116.55 124.43 2c3n n ASP 82 Ca 0.07 0.66 0.12 0.00 0.71 0.00 0.00 54.79 56.35 2c3n n ASP 82 Cb 0.37 -0.81 0.78 0.00 -0.02 0.00 0.00 41.12 41.43 2c3n n ASP 82 CO 0.00 0.00 0.00 0.10 -0.39 0.00 0.00 177.20 176.91 2c3n h TYR 83 N 0.00 0.00 -0.76 1.24 -0.00 -1.90 -1.57 116.97 113.98 2c3n h TYR 83 Ca 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 58.73 58.72 2c3n h TYR 83 Cb 0.39 0.00 -0.04 0.00 0.00 0.00 0.00 36.73 37.08 2c3n h TYR 83 CO 0.00 0.00 0.44 -1.49 -0.00 0.00 0.00 178.16 177.11 2c3n h TRP 84 N 0.00 1.01 -2.12 0.10 4.06 -1.75 -3.35 115.95 113.89 2c3n h TRP 84 Ca -0.00 -0.01 -0.49 0.00 2.06 0.00 0.00 58.89 60.46 2c3n h TRP 84 Cb 0.00 -0.33 -0.34 0.00 -1.00 0.00 0.00 29.16 27.50 2c3n h TRP 84 CO 0.00 0.69 -0.84 -0.47 -3.56 0.00 0.00 178.44 174.26 2c3n s TYR 85 N -5.74 0.39 0.69 0.49 5.04 -0.67 -0.88 117.35 116.67 2c3n s TYR 85 Ca -0.11 -1.70 -0.17 0.00 -2.44 0.00 0.00 57.07 52.65 2c3n s TYR 85 Cb 0.17 -0.64 0.01 0.00 0.35 0.00 0.00 41.96 41.85 2c3n s TYR 85 CO 0.80 -0.92 1.24 -2.30 -1.34 0.00 0.00 175.55 173.03 2c3n n PRO 86 N 3.28 0.86 0.10 4.97 -0.02 -0.75 -4.89 135.00 138.55 2c3n n PRO 86 Ca 0.22 0.36 -0.04 0.00 -2.02 0.00 0.00 63.50 62.01 2c3n n PRO 86 Cb 0.47 -2.48 0.12 0.00 -0.02 0.00 0.00 33.50 31.59 2c3n n PRO 86 CO 0.00 0.00 0.00 1.96 1.98 0.00 0.00 175.50 179.44 2c3n h GLN 87 N 0.16 0.16 -6.48 -0.52 1.08 -1.97 -3.35 115.11 104.20 2c3n h GLN 87 Ca -0.50 -0.12 -0.60 0.00 -1.45 0.00 0.00 58.65 55.98 2c3n h GLN 87 Cb 1.33 0.02 0.06 0.00 -0.05 0.00 0.00 27.48 28.84 2c3n h GLN 87 CO 0.51 0.75 0.73 -3.47 -0.95 0.00 0.00 178.83 176.40 2c3n n ASP 88 N -3.82 2.84 -0.05 1.46 2.03 -1.26 -4.86 116.55 112.89 2c3n n ASP 88 Ca -0.02 1.09 -0.03 0.00 0.52 0.00 0.00 54.79 56.35 2c3n n ASP 88 Cb 0.64 -1.39 0.20 0.00 -0.72 0.00 0.00 41.12 39.85 2c3n n ASP 88 CO 0.00 0.00 0.00 -0.07 -1.92 0.00 0.00 177.20 175.21 2c3n h LEU 89 N 5.55 0.62 -0.16 -2.67 3.38 -1.99 -0.59 115.31 119.46 2c3n h LEU 89 Ca -0.45 -0.16 -0.23 0.00 0.09 0.00 0.00 57.88 57.13 2c3n h LEU 89 Cb 1.27 -0.17 0.01 0.00 0.09 0.00 0.00 40.66 41.86 2c3n h LEU 89 CO 0.86 0.75 -0.92 1.56 0.09 0.00 0.00 178.44 180.78 2c3n h GLN 90 N 0.60 0.53 -0.59 1.13 4.20 -1.95 -0.52 115.11 118.51 2c3n h GLN 90 Ca 0.11 -0.53 -0.05 0.00 0.06 0.00 0.00 58.65 58.24 2c3n h GLN 90 Cb 0.50 0.14 -0.02 0.00 0.30 0.00 0.00 27.48 28.39 2c3n h GLN 90 CO 0.03 1.16 0.18 0.00 -0.67 0.00 0.00 178.83 179.53 2c3n h ALA 91 N 0.66 0.78 -0.68 3.87 0.00 -1.85 -1.15 119.26 120.89 2c3n h ALA 91 Ca -0.08 -0.20 -0.03 0.00 0.00 0.00 0.00 54.91 54.60 2c3n h ALA 91 Cb 1.55 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 19.08 2c3n h ALA 91 CO 0.17 0.44 0.31 -0.09 0.00 0.00 0.00 179.25 180.08 2c3n h ARG 92 N 0.84 0.98 -0.79 0.00 2.43 -1.05 -2.35 114.38 114.44 2c3n h ARG 92 Ca 0.19 -0.16 0.03 0.00 -0.81 0.00 0.00 59.98 59.23 2c3n h ARG 92 Cb 0.29 -0.17 -0.04 0.00 -0.42 0.00 0.00 29.97 29.63 2c3n h ARG 92 CO -0.01 0.79 0.52 0.00 -1.51 0.00 0.00 179.97 179.77 2c3n h ALA 93 N 1.14 1.50 -0.53 2.80 0.00 -0.69 -0.38 119.26 123.10 2c3n h ALA 93 Ca 0.23 -0.04 -0.05 0.00 0.00 0.00 0.00 54.91 55.05 2c3n h ALA 93 Cb 0.15 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 17.62 2c3n h ALA 93 CO -0.03 0.43 0.13 0.00 0.00 0.00 0.00 179.25 179.79 2c3n h ARG 94 N 1.00 0.81 -0.16 0.00 3.08 -0.73 0.14 114.38 118.53 2c3n h ARG 94 Ca 0.31 -0.16 -0.04 0.00 0.07 0.00 0.00 59.98 60.16 2c3n h ARG 94 Cb -0.00 -0.12 -0.00 0.00 0.08 0.00 0.00 29.97 29.92 2c3n h ARG 94 CO -0.08 0.73 -0.04 0.28 -1.07 0.00 0.00 179.97 179.79 2c3n h VAL 95 N 0.79 1.29 -1.00 2.04 2.07 -0.87 -1.77 116.25 118.79 2c3n h VAL 95 Ca 0.17 -1.00 0.02 0.00 0.82 0.00 0.00 66.70 66.71 2c3n h VAL 95 Cb 0.28 1.63 -0.05 0.00 -1.52 0.00 0.00 31.29 31.64 2c3n h VAL 95 CO -0.00 0.29 0.66 0.44 0.02 0.00 0.00 177.57 178.99 2c3n h ASP 96 N 0.00 1.14 0.00 0.57 3.32 -0.74 -0.63 116.42 120.08 2c3n h ASP 96 Ca 0.04 -0.02 -0.00 0.00 0.02 0.00 0.00 57.03 57.06 2c3n h ASP 96 Cb 0.47 -0.28 0.00 0.00 0.22 0.00 0.00 39.33 39.74 2c3n h ASP 96 CO 0.02 0.81 -0.00 -0.08 -1.72 0.00 0.00 179.24 178.27 2c3n h GLU 97 N 1.34 -0.01 -0.26 3.56 4.81 -0.61 0.37 114.58 123.78 2c3n h GLU 97 Ca 0.38 0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 59.60 2c3n h GLU 97 Cb -0.12 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.25 2c3n h GLU 97 CO -0.09 0.07 0.14 -0.92 -0.73 0.00 0.00 179.01 177.48 2c3n h TYR 98 N -0.08 0.37 -0.53 0.92 3.20 -0.98 -0.48 116.97 119.39 2c3n h TYR 98 Ca -0.00 -0.01 -0.03 0.00 3.14 0.00 0.00 58.73 61.82 2c3n h TYR 98 Cb 0.08 -0.12 -0.03 0.00 1.54 0.00 0.00 36.73 38.21 2c3n h TYR 98 CO -0.05 0.32 0.19 -0.07 -1.64 0.00 0.00 178.16 176.90 2c3n h LEU 99 N 0.31 0.71 -0.05 2.82 3.38 -0.90 -1.12 115.31 120.46 2c3n h LEU 99 Ca 0.09 -0.10 -0.02 0.00 0.09 0.00 0.00 57.88 57.95 2c3n h LEU 99 Cb 0.08 -0.18 -0.00 0.00 0.09 0.00 0.00 40.66 40.64 2c3n h LEU 99 CO -0.01 0.66 -0.04 0.00 0.09 0.00 0.00 178.44 179.14 2c3n h ALA 100 N 1.44 0.07 -0.70 1.53 0.00 -0.73 -3.32 119.26 117.55 2c3n h ALA 100 Ca 0.18 -0.26 0.04 0.00 0.00 0.00 0.00 54.91 54.87 2c3n h ALA 100 Cb 0.19 -0.02 -0.05 0.00 0.00 0.00 0.00 17.79 17.92 2c3n h ALA 100 CO -0.01 -0.16 0.43 2.35 0.00 0.00 0.00 179.25 181.86 2c3n h TRP 101 N -0.31 0.79 0.00 0.00 7.01 -0.70 -3.09 115.95 119.65 2c3n h TRP 101 Ca 0.01 0.02 -0.03 0.00 2.11 0.00 0.00 58.89 61.01 2c3n h TRP 101 Cb 0.52 -0.26 -0.00 0.00 -2.10 0.00 0.00 29.16 27.32 2c3n h TRP 101 CO 0.08 0.43 -0.12 -0.56 -2.79 0.00 0.00 178.44 175.48 2c3n h GLN 102 N 0.82 0.00 -0.72 2.65 -0.00 -1.31 -3.18 115.11 113.36 2c3n h GLN 102 Ca 0.29 0.00 0.13 0.00 -0.00 0.00 0.00 58.65 59.07 2c3n h GLN 102 Cb 0.08 0.00 -0.09 0.00 -0.00 0.00 0.00 27.48 27.47 2c3n h GLN 102 CO -0.13 0.12 0.28 0.45 -0.00 0.00 0.00 178.83 179.55 2c3n h HIS 103 N 0.00 0.48 -0.23 0.06 3.86 -1.70 -1.06 115.15 116.57 2c3n h HIS 103 Ca -0.00 0.03 0.00 0.00 -1.16 0.00 0.00 60.37 59.24 2c3n h HIS 103 Cb 0.29 -0.10 0.00 0.00 1.06 0.00 0.00 27.41 28.65 2c3n h HIS 103 CO 0.00 0.07 0.00 0.25 0.86 0.00 0.00 177.93 179.11 2c3n n THR 104 N -5.00 0.38 0.00 2.45 -2.24 -1.20 -4.25 114.28 104.41 2c3n n THR 104 Ca 0.13 -0.69 0.00 0.00 -2.27 0.00 0.00 64.05 61.22 2c3n n THR 104 Cb 0.38 1.04 0.00 0.00 -2.10 0.00 0.00 70.33 69.65 2c3n n THR 104 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 2c3n n THR 105 N 1.05 0.00 -0.29 4.28 -2.24 -1.00 -4.75 114.28 111.33 2c3n n THR 105 Ca 0.14 0.00 -0.05 0.00 -2.27 0.00 0.00 64.05 61.87 2c3n n THR 105 Cb 0.48 0.00 0.07 0.00 -2.10 0.00 0.00 70.33 68.78 2c3n n THR 105 CO 0.00 0.00 0.00 0.25 -0.57 0.00 0.00 175.07 174.75 2c3n h LEU 106 N 0.00 0.96 -0.46 3.22 5.85 -1.80 -1.04 115.31 122.04 2c3n h LEU 106 Ca 0.00 -0.07 0.09 0.00 0.84 0.00 0.00 57.88 58.74 2c3n h LEU 106 Cb 0.00 -0.24 -0.08 0.00 0.37 0.00 0.00 40.66 40.71 2c3n h LEU 106 CO 0.00 0.75 -0.02 -0.09 -0.34 0.00 0.00 178.44 178.74 2c3n h ARG 107 N 1.09 0.09 -0.34 1.25 2.43 -1.44 -0.95 114.38 116.50 2c3n h ARG 107 Ca 0.28 -0.01 -0.11 0.00 -0.81 0.00 0.00 59.98 59.34 2c3n h ARG 107 Cb -0.03 -0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 29.50 2c3n h ARG 107 CO -0.05 0.06 -0.22 -0.09 -1.51 0.00 0.00 179.97 178.15 2c3n h ARG 108 N 0.09 0.75 -0.40 0.20 2.43 -1.63 -1.67 114.38 114.15 2c3n h ARG 108 Ca 0.23 -0.35 -0.12 0.00 -0.81 0.00 0.00 59.98 58.92 2c3n h ARG 108 Cb 0.34 -0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 29.87 2c3n h ARG 108 CO -0.40 0.97 -0.23 0.66 -1.51 0.00 0.00 179.97 179.47 2c3n h SER 109 N 0.53 0.90 -0.64 -3.80 4.64 -0.91 -0.10 113.55 114.16 2c3n h SER 109 Ca 0.07 -0.42 -0.06 0.00 -0.47 0.00 0.00 61.79 60.91 2c3n h SER 109 Cb 0.78 -0.25 -0.03 0.00 -0.31 0.00 0.00 62.40 62.59 2c3n h SER 109 CO 0.06 1.12 0.17 0.00 -0.87 0.00 0.00 176.83 177.31 2c3n h LEU 111 N 0.94 0.17 -1.20 0.00 5.85 -1.09 -2.53 115.31 117.45 2c3n h LEU 111 Ca 0.20 -0.16 -0.04 0.00 0.84 0.00 0.00 57.88 58.72 2c3n h LEU 111 Cb 0.34 -0.04 -0.02 0.00 0.37 0.00 0.00 40.66 41.30 2c3n h LEU 111 CO -0.00 0.29 0.13 0.03 -0.34 0.00 0.00 178.44 178.55 2c3n h ARG 112 N 0.04 0.70 -0.05 1.25 3.08 -0.90 -1.78 114.38 116.73 2c3n h ARG 112 Ca 0.04 -0.12 0.00 0.00 0.07 0.00 0.00 59.98 59.97 2c3n h ARG 112 Cb 0.17 -0.12 -0.00 0.00 0.08 0.00 0.00 29.97 30.10 2c3n h ARG 112 CO -0.00 0.62 0.03 0.00 -1.07 0.00 0.00 179.97 179.55 2c3n h ALA 113 N 1.47 0.06 -0.46 0.04 0.00 -1.02 0.75 119.26 120.12 2c3n h ALA 113 Ca 0.16 -0.00 -0.00 0.00 0.00 0.00 0.00 54.91 55.06 2c3n h ALA 113 Cb 0.22 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 17.97 2c3n h ALA 113 CO -0.01 -0.44 0.27 1.25 0.00 0.00 0.00 179.25 180.32 2c3n h LEU 114 N 0.07 0.56 -0.11 0.00 5.85 -1.07 -1.47 115.31 119.13 2c3n h LEU 114 Ca 0.02 -0.06 -0.08 0.00 0.84 0.00 0.00 57.88 58.59 2c3n h LEU 114 Cb -0.00 -0.14 0.00 0.00 0.37 0.00 0.00 40.66 40.89 2c3n h LEU 114 CO -0.01 0.46 -0.25 -0.50 -0.34 0.00 0.00 178.44 177.80 2c3n h TRP 115 N 0.61 0.46 -0.13 1.25 4.06 -1.16 -0.80 115.95 120.25 2c3n h TRP 115 Ca 0.16 -0.17 -0.13 0.00 2.06 0.00 0.00 58.89 60.81 2c3n h TRP 115 Cb 0.01 -0.08 -0.01 0.00 -1.00 0.00 0.00 29.16 28.07 2c3n h TRP 115 CO -0.03 0.86 -0.50 0.45 -3.56 0.00 0.00 178.44 175.67 2c3n h HIS 116 N -0.07 0.41 0.21 0.49 3.86 -0.85 0.21 115.15 119.41 2c3n h HIS 116 Ca 0.00 -0.13 -0.33 0.00 -1.16 0.00 0.00 60.37 58.74 2c3n h HIS 116 Cb 0.85 -0.08 0.02 0.00 1.06 0.00 0.00 27.41 29.26 2c3n h HIS 116 CO 0.11 0.77 -1.55 -0.22 0.86 0.00 0.00 177.93 177.90 2c3n h LYS 117 N 0.27 0.45 0.00 2.45 3.64 -1.30 -3.44 116.57 118.64 2c3n h LYS 117 Ca 0.01 -0.77 0.00 0.00 -1.27 0.00 0.00 60.65 58.62 2c3n h LYS 117 Cb 0.98 0.29 0.00 0.00 -0.41 0.00 0.00 32.23 33.08 2c3n h LYS 117 CO 0.08 1.36 -0.27 0.28 -2.27 0.00 0.00 179.45 178.63 2c3n n VAL 118 N -3.64 0.49 0.10 2.00 0.31 -0.39 -4.77 118.33 112.44 2c3n n VAL 118 Ca -0.19 0.16 -0.03 0.00 -0.01 0.00 0.00 64.34 64.27 2c3n n VAL 118 Cb 1.09 -1.20 0.16 0.00 -0.91 0.00 0.00 33.84 32.98 2c3n n VAL 118 CO 0.00 0.00 0.00 0.24 -1.32 0.00 0.00 176.83 175.75 2c3n h MET 119 N 0.00 0.18 0.47 5.55 2.86 -1.25 -0.48 114.93 122.27 2c3n h MET 119 Ca 0.00 -0.11 -0.02 0.00 -2.06 0.00 0.00 59.70 57.50 2c3n h MET 119 Cb 0.27 0.01 0.00 0.00 0.06 0.00 0.00 31.60 31.95 2c3n h MET 119 CO 0.00 0.69 -0.23 0.74 1.06 0.00 0.00 176.91 179.17 2c3n h PHE 120 N 0.14 -0.59 -0.28 -0.22 0.05 -1.21 -0.66 116.94 114.17 2c3n h PHE 120 Ca -0.00 -0.01 0.00 0.00 3.82 0.00 0.00 57.97 61.78 2c3n h PHE 120 Cb 1.02 0.20 -0.01 0.00 2.00 0.00 0.00 35.95 39.15 2c3n h PHE 120 CO 0.01 -0.37 0.18 -1.00 -0.18 0.00 0.00 178.31 176.96 2c3n h PRO 121 N -0.85 0.37 0.00 1.51 0.13 -1.41 -0.10 132.00 131.65 2c3n h PRO 121 Ca -0.07 -0.03 0.00 0.00 -0.87 0.00 0.00 66.00 65.04 2c3n h PRO 121 Cb 0.49 -0.08 0.00 0.00 0.13 0.00 0.00 31.00 31.54 2c3n h PRO 121 CO 0.11 0.26 0.00 0.28 -0.23 0.00 0.00 178.00 178.42 2c3n n VAL 122 N -4.88 0.00 -0.03 1.56 0.31 -0.19 -2.90 118.33 112.19 2c3n n VAL 122 Ca -0.02 0.52 -0.11 0.00 -0.01 0.00 0.00 64.34 64.72 2c3n n VAL 122 Cb 0.03 -1.45 -0.06 0.00 -0.91 0.00 0.00 33.84 31.45 2c3n n VAL 122 CO 0.00 0.00 0.00 0.15 -1.32 0.00 0.00 176.83 175.66 2c3n h PHE 123 N 0.00 0.20 -0.00 3.52 3.57 -1.61 -3.21 116.94 119.41 2c3n h PHE 123 Ca 0.00 -0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.48 2c3n h PHE 123 Cb 0.00 -0.06 0.00 0.00 2.79 0.00 0.00 35.95 38.68 2c3n h PHE 123 CO 0.01 0.31 -0.44 1.28 -2.23 0.00 0.00 178.31 177.24 2c3n n LEU 124 N -4.88 0.73 -2.88 0.59 4.77 -0.27 -0.35 117.00 114.71 2c3n n LEU 124 Ca -0.05 -0.13 -0.20 0.00 -0.03 0.00 0.00 56.01 55.60 2c3n n LEU 124 Cb 0.13 -0.19 0.05 0.00 -2.33 0.00 0.00 43.42 41.08 2c3n n LEU 124 CO 0.35 0.16 0.10 0.61 -1.33 0.00 0.00 177.39 177.28 2c3n n GLY 125 N 1.44 -0.34 2.97 -0.72 0.00 -0.35 -4.93 105.19 103.27 2c3n n GLY 125 Ca 0.08 0.06 -0.31 0.00 0.00 0.00 0.00 46.02 45.85 2c3n n GLY 125 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2c3n s GLU 126 N -5.82 1.59 0.46 1.61 0.41 -0.20 -4.96 118.70 111.79 2c3n s GLU 126 Ca 0.38 -1.43 -0.25 0.00 -0.41 0.00 0.00 54.97 53.26 2c3n s GLU 126 Cb -0.17 -2.82 -0.08 0.00 -1.78 0.00 0.00 34.13 29.28 2c3n s GLU 126 CO 0.47 -0.77 1.36 -2.30 -0.49 0.00 0.00 175.26 173.52 2c3n n PRO 127 N 4.48 2.05 -4.86 0.39 -0.02 -1.26 -2.30 135.00 133.48 2c3n n PRO 127 Ca -0.05 0.73 -0.33 0.00 -2.02 0.00 0.00 63.50 61.84 2c3n n PRO 127 Cb 0.43 -2.53 -0.14 0.00 -0.02 0.00 0.00 33.50 31.24 2c3n n PRO 127 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 2c3n s VAL 128 N -1.21 3.00 0.35 -1.45 1.01 -1.26 -4.93 120.40 115.91 2c3n s VAL 128 Ca 0.63 -0.71 -0.28 0.00 0.00 0.00 0.00 61.98 61.62 2c3n s VAL 128 Cb -0.46 -2.21 -0.10 0.00 0.00 0.00 0.00 36.38 33.61 2c3n s VAL 128 CO 0.56 0.56 1.29 -0.94 0.00 0.00 0.00 175.10 176.57 2c3n s SER 129 N -0.14 6.65 0.43 3.32 1.04 -1.26 -4.87 113.70 118.87 2c3n s SER 129 Ca -0.01 2.65 0.17 0.00 0.48 0.00 0.00 55.95 59.24 2c3n s SER 129 Cb -0.14 -2.64 1.08 0.00 0.10 0.00 0.00 66.02 64.42 2c3n s SER 129 CO 0.03 -0.62 1.92 -0.65 0.98 0.00 0.00 173.24 174.91 2c3n h PRO 130 N 3.16 0.37 -0.48 4.02 0.11 -1.99 -1.36 132.00 135.83 2c3n h PRO 130 Ca -0.49 -0.02 -0.01 0.00 0.11 0.00 0.00 66.00 65.59 2c3n h PRO 130 Cb 1.23 -0.08 -0.02 0.00 0.11 0.00 0.00 31.00 32.24 2c3n h PRO 130 CO 0.64 0.25 0.26 0.37 -0.21 0.00 0.00 178.00 179.31 2c3n h GLN 131 N 0.38 0.67 0.10 1.05 4.15 -1.99 0.19 115.11 119.67 2c3n h GLN 131 Ca 0.37 -0.08 -0.01 0.00 0.77 0.00 0.00 58.65 59.71 2c3n h GLN 131 Cb 0.90 -0.13 0.00 0.00 0.21 0.00 0.00 27.48 28.46 2c3n h GLN 131 CO -0.11 0.53 -0.05 1.15 -1.93 0.00 0.00 178.83 178.42 2c3n h THR 132 N 0.63 0.94 -0.50 2.39 2.02 -1.67 -1.43 112.91 115.28 2c3n h THR 132 Ca 0.17 -0.15 0.01 0.00 0.77 0.00 0.00 66.41 67.21 2c3n h THR 132 Cb 0.06 1.04 -0.03 0.00 -1.74 0.00 0.00 68.15 67.48 2c3n h THR 132 CO -0.03 0.04 0.33 0.25 0.37 0.00 0.00 175.52 176.48 2c3n h LEU 133 N -0.20 0.56 -0.63 2.58 5.85 -1.17 -0.31 115.31 121.98 2c3n h LEU 133 Ca -0.01 -0.01 0.07 0.00 0.84 0.00 0.00 57.88 58.77 2c3n h LEU 133 Cb 0.17 -0.13 -0.06 0.00 0.37 0.00 0.00 40.66 41.00 2c3n h LEU 133 CO 0.02 0.40 0.31 0.00 -0.34 0.00 0.00 178.44 178.84 2c3n h ALA 134 N 1.19 0.84 -0.46 1.25 0.00 -0.51 -0.01 119.26 121.56 2c3n h ALA 134 Ca 0.19 0.04 -0.04 0.00 0.00 0.00 0.00 54.91 55.10 2c3n h ALA 134 Cb -0.06 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 17.66 2c3n h ALA 134 CO -0.05 -0.06 0.13 0.00 0.00 0.00 0.00 179.25 179.27 2c3n h ALA 135 N 1.37 0.60 -0.34 0.00 0.00 -0.84 -1.12 119.26 118.92 2c3n h ALA 135 Ca 0.30 -0.19 -0.00 0.00 0.00 0.00 0.00 54.91 55.02 2c3n h ALA 135 Cb 0.26 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.86 2c3n h ALA 135 CO -0.23 0.26 0.20 1.15 0.00 0.00 0.00 179.25 180.64 2c3n h THR 136 N 0.60 1.12 -0.14 0.00 2.02 -0.55 -0.90 112.91 115.06 2c3n h THR 136 Ca 0.15 -0.29 -0.16 0.00 0.77 0.00 0.00 66.41 66.88 2c3n h THR 136 Cb 0.29 0.70 -0.01 0.00 -1.74 0.00 0.00 68.15 67.39 2c3n h THR 136 CO -0.00 0.12 -0.57 -0.07 0.37 0.00 0.00 175.52 175.37 2c3n h LEU 137 N 0.44 0.50 -1.01 2.58 3.38 -0.93 -1.01 115.31 119.26 2c3n h LEU 137 Ca 0.12 -0.27 0.00 0.00 0.09 0.00 0.00 57.88 57.82 2c3n h LEU 137 Cb 0.02 -0.14 -0.05 0.00 0.09 0.00 0.00 40.66 40.58 2c3n h LEU 137 CO -0.02 0.96 0.60 0.00 0.09 0.00 0.00 178.44 180.07 2c3n h ALA 138 N 1.05 1.26 -0.33 1.53 0.00 -1.09 -1.62 119.26 120.06 2c3n h ALA 138 Ca 0.00 -0.09 -0.15 0.00 0.00 0.00 0.00 54.91 54.68 2c3n h ALA 138 Cb 1.09 -0.39 -0.01 0.00 0.00 0.00 0.00 17.79 18.49 2c3n h ALA 138 CO 0.10 0.65 -0.40 1.49 0.00 0.00 0.00 179.25 181.10 2c3n h GLU 139 N 1.30 0.79 -0.61 0.00 4.22 -0.82 -2.01 114.58 117.45 2c3n h GLU 139 Ca 0.35 -0.41 0.03 0.00 0.08 0.00 0.00 59.36 59.40 2c3n h GLU 139 Cb -0.10 0.01 -0.04 0.00 0.50 0.00 0.00 28.75 29.12 2c3n h GLU 139 CO -0.07 1.04 0.37 1.25 -2.18 0.00 0.00 179.01 179.42 2c3n h LEU 140 N 0.65 0.59 -0.34 1.64 5.85 -0.96 -1.63 115.31 121.11 2c3n h LEU 140 Ca 0.05 0.01 0.04 0.00 0.84 0.00 0.00 57.88 58.82 2c3n h LEU 140 Cb 0.96 -0.12 -0.04 0.00 0.37 0.00 0.00 40.66 41.83 2c3n h LEU 140 CO 0.09 0.41 0.12 -0.78 -0.34 0.00 0.00 178.44 177.94 2c3n h ASP 141 N 0.72 0.13 -0.62 1.25 1.82 -0.85 0.79 116.42 119.66 2c3n h ASP 141 Ca 0.25 0.04 0.05 0.00 -0.39 0.00 0.00 57.03 56.98 2c3n h ASP 141 Cb 0.05 0.02 -0.05 0.00 0.68 0.00 0.00 39.33 40.03 2c3n h ASP 141 CO -0.11 0.11 0.34 0.58 -1.61 0.00 0.00 179.24 178.55 2c3n h VAL 142 N 0.26 0.98 -0.09 2.25 2.07 -1.07 -1.38 116.25 119.27 2c3n h VAL 142 Ca 0.15 -0.22 -0.14 0.00 0.82 0.00 0.00 66.70 67.31 2c3n h VAL 142 Cb 0.12 0.28 -0.01 0.00 -1.52 0.00 0.00 31.29 30.16 2c3n h VAL 142 CO -0.16 0.12 -0.56 0.74 0.02 0.00 0.00 177.57 177.73 2c3n h THR 143 N 0.65 1.37 -0.25 2.57 2.02 -0.67 -1.72 112.91 116.88 2c3n h THR 143 Ca 0.27 -1.88 -0.11 0.00 0.77 0.00 0.00 66.41 65.46 2c3n h THR 143 Cb 0.15 1.92 -0.01 0.00 -1.74 0.00 0.00 68.15 68.46 2c3n h THR 143 CO -0.16 0.56 -0.32 -0.07 0.37 0.00 0.00 175.52 175.89 2c3n h LEU 144 N 0.21 0.53 -1.01 2.58 3.38 -0.54 -1.07 115.31 119.40 2c3n h LEU 144 Ca 0.00 -0.21 -0.05 0.00 0.09 0.00 0.00 57.88 57.71 2c3n h LEU 144 Cb 1.05 -0.15 -0.03 0.00 0.09 0.00 0.00 40.66 41.63 2c3n h LEU 144 CO 0.09 0.83 0.15 -0.61 0.09 0.00 0.00 178.44 178.99 2c3n h GLN 145 N 0.44 0.86 -0.43 1.13 5.75 -0.91 -2.14 115.11 119.81 2c3n h GLN 145 Ca 0.05 -0.17 -0.05 0.00 -0.15 0.00 0.00 58.65 58.33 2c3n h GLN 145 Cb 0.78 -0.13 -0.02 0.00 1.07 0.00 0.00 27.48 29.19 2c3n h GLN 145 CO 0.06 0.77 0.06 -0.07 -2.65 0.00 0.00 178.83 177.00 2c3n h LEU 146 N 0.83 0.68 -0.74 -2.39 3.38 -0.97 0.12 115.31 116.22 2c3n h LEU 146 Ca 0.18 -0.26 0.12 0.00 0.09 0.00 0.00 57.88 58.01 2c3n h LEU 146 Cb 0.29 -0.18 -0.09 0.00 0.09 0.00 0.00 40.66 40.77 2c3n h LEU 146 CO -0.00 0.77 0.33 0.25 0.09 0.00 0.00 178.44 179.88 2c3n h LEU 147 N 0.56 0.37 -0.10 1.67 5.85 -0.92 0.26 115.31 123.00 2c3n h LEU 147 Ca 0.13 0.09 -0.09 0.00 0.84 0.00 0.00 57.88 58.84 2c3n h LEU 147 Cb 0.39 0.04 0.00 0.00 0.37 0.00 0.00 40.66 41.46 2c3n h LEU 147 CO 0.01 0.17 -0.30 -0.33 -0.34 0.00 0.00 178.44 177.65 2c3n h GLU 148 N 0.51 0.39 -0.01 1.25 5.08 -1.09 -1.55 114.58 119.16 2c3n h GLU 148 Ca 0.39 -0.28 -0.23 0.00 -1.00 0.00 0.00 59.36 58.25 2c3n h GLU 148 Cb 0.53 0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.83 2c3n h GLU 148 CO -0.35 0.90 -0.92 -0.44 -1.00 0.00 0.00 179.01 177.20 2c3n h ASP 149 N -0.05 0.59 0.11 1.42 3.32 -0.32 0.19 116.42 121.67 2c3n h ASP 149 Ca -0.01 -0.46 -0.35 0.00 0.02 0.00 0.00 57.03 56.24 2c3n h ASP 149 Cb 0.92 -0.18 -0.02 0.00 0.22 0.00 0.00 39.33 40.27 2c3n h ASP 149 CO 0.06 1.25 -1.90 1.17 -1.72 0.00 0.00 179.24 178.10 2c3n n LYS 150 N -3.77 0.73 -0.02 3.56 3.00 0.86 -4.71 118.16 117.81 2c3n n LYS 150 Ca -0.07 0.31 -0.02 0.00 -0.00 0.00 0.00 58.31 58.53 2c3n n LYS 150 Cb 0.82 -1.71 -0.01 0.00 0.00 0.00 0.00 35.03 34.13 2c3n n LYS 150 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.40 178.59 2c3n n PHE 151 N -3.63 0.00 0.16 5.64 3.72 -0.94 -4.82 117.46 117.59 2c3n n PHE 151 Ca -0.32 0.00 -0.14 0.00 -0.05 0.00 0.00 57.45 56.94 2c3n n PHE 151 Cb 0.99 -0.12 -0.08 0.00 -0.94 0.00 0.00 39.48 39.33 2c3n n PHE 151 CO 0.00 0.00 0.00 1.25 -0.05 0.00 0.00 176.76 177.96 2c3n h LEU 152 N -0.25 -0.33 0.00 4.37 5.85 -1.34 -3.44 115.31 120.17 2c3n h LEU 152 Ca 0.00 -0.13 0.00 0.00 0.84 0.00 0.00 57.88 58.59 2c3n h LEU 152 Cb 0.25 0.09 0.00 0.00 0.37 0.00 0.00 40.66 41.36 2c3n h LEU 152 CO 0.00 -0.05 0.00 0.00 -0.34 0.00 0.00 178.44 178.05 2c3n n GLN 153 N -5.16 0.00 -0.82 1.25 6.02 0.65 -1.43 117.38 117.89 2c3n n GLN 153 Ca -0.10 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.90 2c3n n GLN 153 Cb 0.24 0.00 0.30 0.00 1.02 0.00 0.00 30.24 31.80 2c3n n GLN 153 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 177.06 176.14 2c3n n ASN 154 N 2.90 4.44 -4.90 1.08 3.02 -1.26 -4.98 115.26 115.56 2c3n n ASN 154 Ca 0.00 -3.19 -0.29 0.00 -0.03 0.00 0.00 54.58 51.07 2c3n n ASN 154 Cb 0.00 -0.67 0.03 0.00 -0.61 0.00 0.00 39.78 38.53 2c3n n ASN 154 CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 2c3n s LYS 155 N -2.95 3.07 0.20 3.52 1.02 -0.51 -5.00 119.74 119.09 2c3n s LYS 155 Ca 0.50 0.30 -0.07 0.00 0.02 0.00 0.00 55.97 56.72 2c3n s LYS 155 Cb 0.41 -2.17 0.12 0.00 -0.52 0.00 0.00 37.83 35.67 2c3n s LYS 155 CO 0.11 -0.74 1.64 0.00 -0.92 0.00 0.00 175.35 175.44 2c3n h ALA 156 N -0.32 0.85 -2.31 5.17 0.00 -1.86 -3.47 119.26 117.33 2c3n h ALA 156 Ca -0.45 -0.33 -0.39 0.00 0.00 0.00 0.00 54.91 53.73 2c3n h ALA 156 Cb 1.24 -0.20 -0.14 0.00 0.00 0.00 0.00 17.79 18.69 2c3n h ALA 156 CO 0.62 0.65 -0.58 -0.06 0.00 0.00 0.00 179.25 179.88 2c3n s PHE 157 N -4.88 1.58 0.46 0.00 0.08 -0.81 -4.79 117.98 109.62 2c3n s PHE 157 Ca -0.11 -1.28 0.14 0.00 0.12 0.00 0.00 56.93 55.80 2c3n s PHE 157 Cb 0.13 -0.89 1.04 0.00 -0.57 0.00 0.00 43.02 42.73 2c3n s PHE 157 CO 0.85 -0.42 2.03 -0.07 -0.10 0.00 0.00 175.22 177.51 2c3n h LEU 158 N 2.27 0.06 -2.25 -0.37 3.38 -1.86 -3.14 115.31 113.40 2c3n h LEU 158 Ca -0.36 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.60 2c3n h LEU 158 Cb 1.25 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 41.98 2c3n h LEU 158 CO 0.56 0.17 0.00 0.35 0.09 0.00 0.00 178.44 179.61 2c3n n THR 159 N -4.39 0.62 -2.12 0.22 -2.24 -1.26 -4.30 114.28 100.82 2c3n n THR 159 Ca -0.02 -0.81 0.00 0.00 -2.27 0.00 0.00 64.05 60.95 2c3n n THR 159 Cb 0.19 0.69 0.00 0.00 -2.10 0.00 0.00 70.33 69.11 2c3n n THR 159 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2c3n n GLY 160 N -0.31 -0.14 0.00 3.38 0.00 -1.19 -4.94 105.19 101.98 2c3n n GLY 160 Ca 0.00 -1.21 0.12 0.00 0.00 0.00 0.00 46.02 44.93 2c3n n GLY 160 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2c3n n PRO 161 N 0.00 0.15 -4.27 1.61 -0.04 -1.26 -1.93 135.00 129.26 2c3n n PRO 161 Ca 0.00 0.07 -0.18 0.00 -0.04 0.00 0.00 63.50 63.35 2c3n n PRO 161 Cb 0.00 -1.50 -0.11 0.00 -0.04 0.00 0.00 33.50 31.85 2c3n n PRO 161 CO 0.00 0.00 0.00 -3.38 -0.04 0.00 0.00 175.50 172.08 2c3n s HIS 162 N -2.82 1.49 0.69 0.54 -3.43 -1.26 -4.71 115.29 105.79 2c3n s HIS 162 Ca 0.17 -0.56 -0.17 0.00 -0.80 0.00 0.00 55.06 53.70 2c3n s HIS 162 Cb 0.16 -0.76 0.01 0.00 -1.43 0.00 0.00 32.58 30.57 2c3n s HIS 162 CO 0.42 0.20 1.26 -1.50 -2.00 0.00 0.00 174.74 173.11 2c3n s ILE 163 N -2.35 2.12 0.33 -5.38 2.07 -1.26 -4.71 121.20 112.01 2c3n s ILE 163 Ca 0.12 0.07 0.04 0.00 -1.41 0.00 0.00 60.65 59.47 2c3n s ILE 163 Cb -0.04 -2.86 -0.01 0.00 0.13 0.00 0.00 42.46 39.68 2c3n s ILE 163 CO 0.04 -0.02 0.35 -1.54 -1.91 0.00 0.00 174.94 171.86 2c3n n SER 164 N -2.27 -0.93 -0.09 4.50 3.41 -1.26 -4.44 113.62 112.53 2c3n n SER 164 Ca 0.15 -2.99 0.17 0.00 -0.26 0.00 0.00 58.87 55.95 2c3n n SER 164 Cb 0.49 1.94 0.58 0.00 -0.26 0.00 0.00 64.21 66.97 2c3n n SER 164 CO 0.00 0.00 0.00 -0.07 -0.16 0.00 0.00 175.04 174.81 2c3n h LEU 165 N 0.00 0.22 -0.60 1.04 3.38 -1.28 -1.84 115.31 116.23 2c3n h LEU 165 Ca -0.24 0.01 0.04 0.00 0.09 0.00 0.00 57.88 57.78 2c3n h LEU 165 Cb 1.15 -0.03 -0.05 0.00 0.09 0.00 0.00 40.66 41.82 2c3n h LEU 165 CO 0.34 0.12 0.34 0.00 0.09 0.00 0.00 178.44 179.33 2c3n h ALA 166 N 1.68 0.79 -0.20 1.53 0.00 -1.86 -1.88 119.26 119.32 2c3n h ALA 166 Ca 0.32 0.00 -0.12 0.00 0.00 0.00 0.00 54.91 55.12 2c3n h ALA 166 Cb 0.91 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.55 2c3n h ALA 166 CO -0.07 0.04 -0.37 -0.44 0.00 0.00 0.00 179.25 178.42 2c3n h ASP 167 N 0.66 0.46 -0.44 0.00 5.19 -1.73 -0.94 116.42 119.61 2c3n h ASP 167 Ca 0.26 -0.19 -0.06 0.00 -0.62 0.00 0.00 57.03 56.42 2c3n h ASP 167 Cb 0.10 -0.13 -0.02 0.00 0.18 0.00 0.00 39.33 39.47 2c3n h ASP 167 CO -0.14 0.79 0.02 0.25 -3.12 0.00 0.00 179.24 177.04 2c3n h LEU 168 N 0.37 0.74 -0.35 1.55 5.85 -1.34 -0.15 115.31 121.99 2c3n h LEU 168 Ca 0.04 -0.29 -0.07 0.00 0.84 0.00 0.00 57.88 58.40 2c3n h LEU 168 Cb 0.82 -0.20 -0.01 0.00 0.37 0.00 0.00 40.66 41.64 2c3n h LEU 168 CO 0.07 0.85 -0.04 0.58 -0.34 0.00 0.00 178.44 179.56 2c3n h VAL 169 N 0.61 1.27 -0.35 1.05 2.07 -1.18 -2.65 116.25 117.07 2c3n h VAL 169 Ca 0.13 -1.07 -0.01 0.00 0.82 0.00 0.00 66.70 66.58 2c3n h VAL 169 Cb 0.46 1.26 -0.02 0.00 -1.52 0.00 0.00 31.29 31.47 2c3n h VAL 169 CO 0.02 0.35 0.20 0.00 0.02 0.00 0.00 177.57 178.15 2c3n h ALA 170 N 0.84 0.45 -0.46 1.67 0.00 -1.04 -2.03 119.26 118.68 2c3n h ALA 170 Ca 0.09 -0.07 -0.10 0.00 0.00 0.00 0.00 54.91 54.83 2c3n h ALA 170 Cb 0.52 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.16 2c3n h ALA 170 CO 0.03 -0.03 -0.13 0.97 0.00 0.00 0.00 179.25 180.09 2c3n h ILE 171 N 0.44 1.26 -0.05 0.00 6.09 -1.04 -0.89 117.51 123.33 2c3n h ILE 171 Ca 0.12 -1.24 -0.09 0.00 -1.37 0.00 0.00 64.86 62.29 2c3n h ILE 171 Cb 0.05 1.05 -0.01 0.00 0.47 0.00 0.00 36.82 38.37 2c3n h ILE 171 CO -0.02 0.43 -0.40 0.71 -3.07 0.00 0.00 178.15 175.80 2c3n h THR 172 N 0.77 1.30 -0.21 2.19 1.35 -1.39 -2.00 112.91 114.91 2c3n h THR 172 Ca 0.12 -1.42 -0.04 0.00 -0.55 0.00 0.00 66.41 64.52 2c3n h THR 172 Cb 0.65 1.70 -0.01 0.00 -1.73 0.00 0.00 68.15 68.76 2c3n h THR 172 CO 0.05 0.41 -0.03 -0.33 -0.25 0.00 0.00 175.52 175.37 2c3n h GLU 173 N 0.09 0.40 0.00 4.72 5.08 -0.77 -3.09 114.58 121.01 2c3n h GLU 173 Ca 0.01 -0.14 -0.03 0.00 -1.00 0.00 0.00 59.36 58.19 2c3n h GLU 173 Cb 0.74 -0.03 -0.00 0.00 0.50 0.00 0.00 28.75 29.96 2c3n h GLU 173 CO 0.06 0.63 -0.15 -0.07 -1.00 0.00 0.00 179.01 178.48 2c3n h LEU 174 N 0.14 0.00 -0.85 1.33 3.38 -0.82 -1.92 115.31 116.56 2c3n h LEU 174 Ca 0.06 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.03 2c3n h LEU 174 Cb 0.47 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.22 2c3n h LEU 174 CO 0.02 0.15 0.00 0.24 0.09 0.00 0.00 178.44 178.93 2c3n h MET 175 N 0.00 0.00 0.82 1.13 2.86 -1.28 -2.67 114.93 115.78 2c3n h MET 175 Ca -0.00 0.00 -0.04 0.00 -2.06 0.00 0.00 59.70 57.60 2c3n h MET 175 Cb 0.34 0.00 0.01 0.00 0.06 0.00 0.00 31.60 32.01 2c3n h MET 175 CO 0.02 0.00 -0.39 0.45 1.06 0.00 0.00 176.91 178.05 2c3n h HIS 176 N 0.00 -1.02 0.00 -0.22 3.86 -1.44 -0.47 115.15 115.86 2c3n h HIS 176 Ca 0.00 -0.02 -0.02 0.00 -1.16 0.00 0.00 60.37 59.16 2c3n h HIS 176 Cb 0.43 0.34 -0.00 0.00 1.06 0.00 0.00 27.41 29.23 2c3n h HIS 176 CO 0.00 -0.63 -0.10 -1.00 0.86 0.00 0.00 177.93 177.06 2c3n h PRO 177 N -1.26 0.00 -0.50 2.45 0.13 -1.71 -1.83 132.00 129.28 2c3n h PRO 177 Ca -0.11 0.00 0.01 0.00 -0.87 0.00 0.00 66.00 65.02 2c3n h PRO 177 Cb 0.85 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 31.95 2c3n h PRO 177 CO 0.18 0.10 0.33 0.28 -0.23 0.00 0.00 178.00 178.67 2c3n h VAL 178 N 0.00 1.12 0.00 1.56 2.07 -1.38 -0.91 116.25 118.71 2c3n h VAL 178 Ca -0.00 -0.23 -0.01 0.00 0.82 0.00 0.00 66.70 67.28 2c3n h VAL 178 Cb 0.18 0.39 -0.00 0.00 -1.52 0.00 0.00 31.29 30.34 2c3n h VAL 178 CO 0.01 0.12 -0.06 1.23 0.02 0.00 0.00 177.57 178.90 2c3n h GLY 179 N 0.67 0.00 1.86 2.17 0.00 -0.35 -1.82 103.07 105.60 2c3n h GLY 179 Ca 0.18 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.51 2c3n h GLY 179 CO -0.04 0.00 -0.08 0.00 0.00 0.00 0.00 176.54 176.42 2c3n n ALA 180 N -2.48 2.47 -0.41 3.60 0.00 -0.61 -4.58 120.51 118.51 2c3n n ALA 180 Ca -0.03 -0.12 0.00 0.00 0.00 0.00 0.00 53.44 53.29 2c3n n ALA 180 Cb 0.14 -1.42 0.00 0.00 0.00 0.00 0.00 19.45 18.17 2c3n n ALA 180 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2c3n n GLY 181 N 1.46 0.76 3.82 0.00 0.00 -0.68 -4.79 105.19 105.75 2c3n n GLY 181 Ca 0.06 -0.29 -0.32 0.00 0.00 0.00 0.00 46.02 45.47 2c3n n GLY 181 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2c3n s GLN 183 N -4.24 3.81 -0.17 0.00 -0.21 -1.26 -4.60 119.66 112.99 2c3n s GLN 183 Ca 0.61 -2.04 -0.15 0.00 0.02 0.00 0.00 55.36 53.80 2c3n s GLN 183 Cb -0.14 -5.05 -0.11 0.00 1.00 0.00 0.00 33.01 28.70 2c3n s GLN 183 CO 0.39 -1.84 0.04 0.28 -2.12 0.00 0.00 175.29 172.04 2c3n h VAL 184 N 5.45 0.48 0.00 1.09 2.07 -1.93 -3.41 116.25 119.98 2c3n h VAL 184 Ca 0.24 -1.59 -0.08 0.00 0.82 0.00 0.00 66.70 66.10 2c3n h VAL 184 Cb 0.95 1.13 -0.01 0.00 -1.52 0.00 0.00 31.29 31.84 2c3n h VAL 184 CO 1.21 0.16 -1.52 0.49 0.02 0.00 0.00 177.57 177.93 2c3n n PHE 185 N -4.54 0.61 -1.89 1.57 3.01 -1.26 -4.60 117.46 110.36 2c3n n PHE 185 Ca -0.19 0.19 -0.42 0.00 1.01 0.00 0.00 57.45 58.04 2c3n n PHE 185 Cb 0.45 -0.87 -0.03 0.00 -0.01 0.00 0.00 39.48 39.03 2c3n n PHE 185 CO 0.00 0.00 0.00 -1.21 1.01 0.00 0.00 176.76 176.56 2c3n s GLU 186 N -3.22 4.19 0.00 -1.08 8.01 -1.26 -2.35 118.70 122.99 2c3n s GLU 186 Ca -0.04 2.42 0.00 0.00 0.01 0.00 0.00 54.97 57.36 2c3n s GLU 186 Cb 0.10 -3.12 0.00 0.00 -4.31 0.00 0.00 34.13 26.80 2c3n s GLU 186 CO 0.83 -0.62 0.00 0.41 0.01 0.00 0.00 175.26 175.89 2c3n n GLY 187 N 3.55 1.94 2.62 -1.39 0.00 -1.26 -4.94 105.19 105.71 2c3n n GLY 187 Ca 0.13 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.88 2c3n n GLY 187 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2c3n n ARG 188 N -2.00 1.63 -0.12 1.61 1.74 -0.99 -4.98 116.66 113.54 2c3n n ARG 188 Ca 0.00 -4.19 0.05 0.00 -0.77 0.00 0.00 57.85 52.94 2c3n n ARG 188 Cb 0.00 -2.07 0.37 0.00 -1.02 0.00 0.00 32.46 29.74 2c3n n ARG 188 CO 0.00 0.00 0.00 -1.35 -1.52 0.00 0.00 177.63 174.76 2c3n h PRO 189 N 4.97 0.69 -0.79 5.56 0.11 -1.93 -1.10 132.00 139.51 2c3n h PRO 189 Ca 0.18 -0.04 -0.03 0.00 0.11 0.00 0.00 66.00 66.22 2c3n h PRO 189 Cb 0.77 -0.16 -0.04 0.00 0.11 0.00 0.00 31.00 31.68 2c3n h PRO 189 CO 0.66 0.46 0.38 0.87 -0.21 0.00 0.00 178.00 180.17 2c3n h LYS 190 N 0.71 1.14 -0.31 1.05 1.57 -1.93 -1.13 116.57 117.67 2c3n h LYS 190 Ca 0.25 -0.17 -0.13 0.00 -1.87 0.00 0.00 60.65 58.73 2c3n h LYS 190 Cb 0.10 -0.21 -0.01 0.00 0.08 0.00 0.00 32.23 32.20 2c3n h LYS 190 CO -0.07 0.88 -0.35 -0.07 -0.57 0.00 0.00 179.45 179.27 2c3n h LEU 191 N 1.12 0.73 -0.34 2.94 3.38 -1.72 -2.22 115.31 119.20 2c3n h LEU 191 Ca 0.27 -0.31 -0.01 0.00 0.09 0.00 0.00 57.88 57.93 2c3n h LEU 191 Cb 0.11 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 40.65 2c3n h LEU 191 CO -0.03 1.01 0.18 0.00 0.09 0.00 0.00 178.44 179.68 2c3n h ALA 192 N 1.03 0.44 -0.59 1.53 0.00 -0.86 0.11 119.26 120.91 2c3n h ALA 192 Ca 0.06 -0.09 -0.11 0.00 0.00 0.00 0.00 54.91 54.78 2c3n h ALA 192 Cb 0.87 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.50 2c3n h ALA 192 CO 0.08 -0.02 -0.04 1.79 0.00 0.00 0.00 179.25 181.05 2c3n h THR 193 N 0.42 1.27 -0.54 0.00 1.35 -1.25 -2.43 112.91 111.73 2c3n h THR 193 Ca 0.12 -1.20 0.02 0.00 -0.55 0.00 0.00 66.41 64.80 2c3n h THR 193 Cb 0.09 0.86 -0.04 0.00 -1.73 0.00 0.00 68.15 67.33 2c3n h THR 193 CO -0.02 0.43 0.33 -0.25 -0.25 0.00 0.00 175.52 175.76 2c3n h TRP 194 N 0.96 0.61 -0.70 4.73 7.01 -1.23 -1.71 115.95 125.62 2c3n h TRP 194 Ca 0.16 0.02 0.09 0.00 2.11 0.00 0.00 58.89 61.27 2c3n h TRP 194 Cb 0.61 -0.20 -0.07 0.00 -2.10 0.00 0.00 29.16 27.40 2c3n h TRP 194 CO 0.04 0.35 0.34 -0.09 -2.79 0.00 0.00 178.44 176.29 2c3n h ARG 195 N 0.65 0.56 -0.68 2.65 2.43 -0.49 -0.00 114.38 119.50 2c3n h ARG 195 Ca 0.22 -0.03 -0.04 0.00 -0.81 0.00 0.00 59.98 59.32 2c3n h ARG 195 Cb 0.02 -0.13 -0.03 0.00 -0.42 0.00 0.00 29.97 29.41 2c3n h ARG 195 CO -0.09 0.37 0.28 1.96 -1.51 0.00 0.00 179.97 180.97 2c3n h GLN 196 N 0.58 1.01 -0.64 0.20 1.08 -1.01 -0.51 115.11 115.81 2c3n h GLN 196 Ca 0.35 -0.18 -0.05 0.00 -1.45 0.00 0.00 58.65 57.32 2c3n h GLN 196 Cb 0.37 -0.17 -0.03 0.00 -0.05 0.00 0.00 27.48 27.61 2c3n h GLN 196 CO -0.27 0.84 0.20 0.00 -0.95 0.00 0.00 178.83 178.65 2c3n h ARG 197 N 0.96 0.97 -0.19 1.46 3.08 -0.66 -1.69 114.38 118.31 2c3n h ARG 197 Ca 0.23 -0.19 -0.07 0.00 0.07 0.00 0.00 59.98 60.02 2c3n h ARG 197 Cb 0.20 -0.15 -0.00 0.00 0.08 0.00 0.00 29.97 30.10 2c3n h ARG 197 CO -0.02 0.83 -0.15 0.28 -1.07 0.00 0.00 179.97 179.84 2c3n h VAL 198 N 0.94 1.32 -0.83 2.04 2.07 -0.64 -1.53 116.25 119.63 2c3n h VAL 198 Ca 0.21 -1.28 0.00 0.00 0.82 0.00 0.00 66.70 66.45 2c3n h VAL 198 Cb 0.26 1.74 -0.04 0.00 -1.52 0.00 0.00 31.29 31.73 2c3n h VAL 198 CO -0.01 0.39 0.52 -0.33 0.02 0.00 0.00 177.57 178.16 2c3n h GLU 199 N 0.11 1.11 -0.57 1.57 5.08 -0.95 -0.96 114.58 119.97 2c3n h GLU 199 Ca 0.04 -0.08 -0.07 0.00 -1.00 0.00 0.00 59.36 58.24 2c3n h GLU 199 Cb 0.67 -0.24 -0.02 0.00 0.50 0.00 0.00 28.75 29.66 2c3n h GLU 199 CO 0.04 0.76 0.07 0.00 -1.00 0.00 0.00 179.01 178.87 2c3n h ALA 200 N 1.44 1.04 -0.11 3.43 0.00 -1.16 -0.05 119.26 123.85 2c3n h ALA 200 Ca 0.30 -0.26 -0.18 0.00 0.00 0.00 0.00 54.91 54.77 2c3n h ALA 200 Cb -0.09 -0.22 -0.00 0.00 0.00 0.00 0.00 17.79 17.47 2c3n h ALA 200 CO -0.06 0.61 -0.70 0.00 0.00 0.00 0.00 179.25 179.10 2c3n h ALA 201 N 1.19 0.58 0.01 0.00 0.00 -0.70 -3.15 119.26 117.20 2c3n h ALA 201 Ca 0.18 -0.59 -0.21 0.00 0.00 0.00 0.00 54.91 54.29 2c3n h ALA 201 Cb 0.42 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.13 2c3n h ALA 201 CO 0.01 0.74 -0.97 0.28 0.00 0.00 0.00 179.25 179.31 2c3n h VAL 202 N 0.34 1.64 0.00 0.00 2.07 -1.12 -3.50 116.25 115.68 2c3n h VAL 202 Ca -0.03 -3.16 0.00 0.00 0.82 0.00 0.00 66.70 64.33 2c3n h VAL 202 Cb 1.27 2.74 0.00 0.00 -1.52 0.00 0.00 31.29 33.78 2c3n h VAL 202 CO 0.12 0.91 0.00 0.61 0.02 0.00 0.00 177.57 179.23 2c3n n GLY 203 N 1.19 1.80 0.30 2.17 0.00 -0.05 -4.78 105.19 105.82 2c3n n GLY 203 Ca -0.01 -1.15 -0.02 0.00 0.00 0.00 0.00 46.02 44.83 2c3n n GLY 203 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 2c3n h GLU 204 N 0.00 0.80 -0.15 1.61 3.07 -1.78 -1.00 114.58 117.14 2c3n h GLU 204 Ca 0.00 -0.15 -0.00 0.00 -0.50 0.00 0.00 59.36 58.70 2c3n h GLU 204 Cb 0.00 -0.13 -0.01 0.00 -0.84 0.00 0.00 28.75 27.78 2c3n h GLU 204 CO 0.00 0.72 0.08 -0.44 -1.40 0.00 0.00 179.01 177.96 2c3n h ASP 205 N 0.78 0.19 -0.78 1.42 3.32 -1.93 -1.38 116.42 118.04 2c3n h ASP 205 Ca 0.17 -0.11 -0.02 0.00 0.02 0.00 0.00 57.03 57.09 2c3n h ASP 205 Cb 0.27 -0.05 -0.04 0.00 0.22 0.00 0.00 39.33 39.73 2c3n h ASP 205 CO -0.00 0.25 0.40 0.25 -1.72 0.00 0.00 179.24 178.41 2c3n h LEU 206 N 0.12 1.00 -0.25 1.55 5.85 -1.82 -0.12 115.31 121.65 2c3n h LEU 206 Ca 0.05 -0.12 0.00 0.00 0.84 0.00 0.00 57.88 58.65 2c3n h LEU 206 Cb 0.10 -0.26 -0.01 0.00 0.37 0.00 0.00 40.66 40.86 2c3n h LEU 206 CO -0.01 0.84 0.16 0.15 -0.34 0.00 0.00 178.44 179.24 2c3n h PHE 207 N 1.09 0.32 -0.48 1.25 3.57 -0.98 -0.46 116.94 121.25 2c3n h PHE 207 Ca 0.27 0.00 -0.04 0.00 3.53 0.00 0.00 57.97 61.73 2c3n h PHE 207 Cb 0.08 -0.11 -0.02 0.00 2.79 0.00 0.00 35.95 38.70 2c3n h PHE 207 CO 0.01 0.22 0.13 0.37 -2.23 0.00 0.00 178.31 176.81 2c3n h GLN 208 N 0.33 0.76 -0.55 1.11 5.75 -0.95 -2.73 115.11 118.83 2c3n h GLN 208 Ca 0.09 -0.18 0.04 0.00 -0.15 0.00 0.00 58.65 58.46 2c3n h GLN 208 Cb -0.01 -0.10 -0.04 0.00 1.07 0.00 0.00 27.48 28.39 2c3n h GLN 208 CO -0.02 0.73 0.30 1.49 -2.65 0.00 0.00 178.83 178.68 2c3n h GLU 209 N 0.65 0.56 0.00 1.69 4.81 -0.76 -2.33 114.58 119.20 2c3n h GLU 209 Ca 0.15 -0.03 -0.02 0.00 -0.13 0.00 0.00 59.36 59.32 2c3n h GLU 209 Cb 0.31 -0.13 -0.00 0.00 0.63 0.00 0.00 28.75 29.56 2c3n h GLU 209 CO -0.00 0.37 -0.11 0.00 -0.73 0.00 0.00 179.01 178.54 2c3n h ALA 210 N 1.28 1.68 -0.28 2.92 0.00 -0.90 -2.97 119.26 120.99 2c3n h ALA 210 Ca 0.23 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 55.04 2c3n h ALA 210 Cb 0.11 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.88 2c3n h ALA 210 CO -0.14 0.14 0.00 0.72 0.00 0.00 0.00 179.25 179.97 2c3n n HIS 211 N -4.21 0.35 -0.24 0.00 8.25 -0.94 -4.55 115.22 113.88 2c3n n HIS 211 Ca -0.03 -0.23 0.04 0.00 -0.26 0.00 0.00 57.72 57.25 2c3n n HIS 211 Cb 0.19 -0.01 0.16 0.00 1.12 0.00 0.00 29.99 31.46 2c3n n HIS 211 CO 0.00 0.00 0.00 0.93 0.64 0.00 0.00 176.34 177.91 2c3n h GLU 212 N 3.49 0.31 -0.06 -0.41 5.08 -1.26 -1.84 114.58 119.89 2c3n h GLU 212 Ca 0.00 -0.02 -0.06 0.00 -1.00 0.00 0.00 59.36 58.28 2c3n h GLU 212 Cb 0.82 -0.07 0.00 0.00 0.50 0.00 0.00 28.75 30.00 2c3n h GLU 212 CO 0.00 0.21 -0.19 0.28 -1.00 0.00 0.00 179.01 178.30 2c3n h VAL 213 N 0.32 1.43 -0.16 3.13 2.07 -1.83 -3.15 116.25 118.06 2c3n h VAL 213 Ca 0.39 -1.57 -0.08 0.00 0.82 0.00 0.00 66.70 66.25 2c3n h VAL 213 Cb 0.62 2.29 -0.01 0.00 -1.52 0.00 0.00 31.29 32.67 2c3n h VAL 213 CO -0.45 0.44 -0.26 -0.29 0.02 0.00 0.00 177.57 177.04 2c3n h ILE 214 N -0.26 1.25 0.00 4.57 6.09 -1.74 -2.15 117.51 125.27 2c3n h ILE 214 Ca -0.01 -1.17 0.00 0.00 -1.37 0.00 0.00 64.86 62.31 2c3n h ILE 214 Cb 0.82 1.41 0.00 0.00 0.47 0.00 0.00 36.82 39.51 2c3n h ILE 214 CO 0.04 0.36 0.00 0.18 -3.07 0.00 0.00 178.15 175.66 2c3n n LEU 215 N -4.15 0.14 -0.14 2.19 4.77 -0.70 -2.69 117.00 116.42 2c3n n LEU 215 Ca -0.01 0.53 0.06 0.00 -0.03 0.00 0.00 56.01 56.56 2c3n n LEU 215 Cb 0.38 -0.51 0.09 0.00 -2.33 0.00 0.00 43.42 41.05 2c3n n LEU 215 CO 0.40 -0.27 0.56 2.29 -1.33 0.00 0.00 177.39 179.04 2c3n n LYS 216 N -1.65 2.19 -0.03 3.23 2.85 -0.83 -4.69 118.16 119.24 2c3n n LYS 216 Ca 0.04 -2.13 0.04 0.00 -1.05 0.00 0.00 58.31 55.20 2c3n n LYS 216 Cb 0.21 -1.31 0.41 0.00 -0.65 0.00 0.00 35.03 33.68 2c3n n LYS 216 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 2c3n h ALA 217 N 0.26 1.69 -0.00 0.58 0.00 -1.28 -1.08 119.26 119.43 2c3n h ALA 217 Ca 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.88 2c3n h ALA 217 Cb 0.82 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 18.43 2c3n h ALA 217 CO 0.02 0.28 0.07 1.57 0.00 0.00 0.00 179.25 181.19 2c3n h LYS 218 N 0.61 0.00 -0.20 0.00 2.10 -1.82 -1.76 116.57 115.51 2c3n h LYS 218 Ca 0.17 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.82 2c3n h LYS 218 Cb -0.04 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.29 2c3n h LYS 218 CO -0.04 0.00 0.00 -0.25 -2.00 0.00 0.00 179.45 177.16 2c3n n ASP 219 N -3.06 2.76 -4.67 7.07 8.00 -0.42 -4.99 116.55 121.24 2c3n n ASP 219 Ca -0.03 -1.81 -0.47 0.00 0.71 0.00 0.00 54.79 53.20 2c3n n ASP 219 Cb 0.14 -0.12 -0.04 0.00 -0.02 0.00 0.00 41.12 41.07 2c3n n ASP 219 CO 0.00 0.00 0.00 0.49 -0.39 0.00 0.00 177.20 177.30 2c3n n PHE 220 N 0.98 2.23 -1.77 1.24 0.99 -0.66 -4.94 117.46 115.54 2c3n n PHE 220 Ca 0.13 0.25 -0.40 0.00 -0.00 0.00 0.00 57.45 57.42 2c3n n PHE 220 Cb 0.46 -2.55 0.02 0.00 -1.00 0.00 0.00 39.48 36.40 2c3n n PHE 220 CO 0.00 0.00 0.00 -2.30 -0.00 0.00 0.00 176.76 174.46 2c3n n PRO 221 N 3.91 2.33 -1.72 -1.08 -0.02 -1.26 -4.64 135.00 132.51 2c3n n PRO 221 Ca 0.18 0.83 -0.42 0.00 -2.02 0.00 0.00 63.50 62.06 2c3n n PRO 221 Cb 0.28 -2.65 -0.01 0.00 -0.02 0.00 0.00 33.50 31.10 2c3n n PRO 221 CO 0.00 0.00 0.00 -2.30 1.98 0.00 0.00 175.50 175.18 2c3n n PRO 222 N -0.12 2.34 -1.74 0.52 -0.02 -1.26 -4.85 135.00 129.86 2c3n n PRO 222 Ca 0.05 0.82 -0.42 0.00 -2.02 0.00 0.00 63.50 61.93 2c3n n PRO 222 Cb 0.41 -2.48 -0.00 0.00 -0.02 0.00 0.00 33.50 31.40 2c3n n PRO 222 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2c3n n ALA 223 N 0.89 1.91 -1.77 3.55 0.00 0.53 -5.00 120.51 120.62 2c3n n ALA 223 Ca 0.06 0.35 -0.31 0.00 0.00 0.00 0.00 53.44 53.53 2c3n n ALA 223 Cb 0.36 -2.35 0.01 0.00 0.00 0.00 0.00 19.45 17.47 2c3n n ALA 223 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 177.50 177.66 2c3n s ASP 224 N -0.21 6.06 0.36 0.00 -4.77 -1.26 -4.77 116.67 112.08 2c3n s ASP 224 Ca 0.54 1.54 0.14 0.00 -3.30 0.00 0.00 52.55 51.47 2c3n s ASP 224 Cb -0.52 -2.49 0.98 0.00 -1.09 0.00 0.00 42.92 39.80 2c3n s ASP 224 CO 0.63 -0.98 1.76 -0.65 0.70 0.00 0.00 175.17 176.64 2c3n h PRO 225 N -0.08 0.50 0.02 2.11 0.11 -1.99 -0.37 132.00 132.30 2c3n h PRO 225 Ca -0.45 -0.03 -0.00 0.00 0.11 0.00 0.00 66.00 65.63 2c3n h PRO 225 Cb 1.20 -0.11 0.00 0.00 0.11 0.00 0.00 31.00 32.19 2c3n h PRO 225 CO 0.60 0.33 -0.01 1.79 -0.21 0.00 0.00 178.00 180.50 2c3n h THR 226 N 0.51 1.13 -0.41 -1.15 1.35 -2.00 -2.34 112.91 110.00 2c3n h THR 226 Ca 0.60 -0.46 -0.00 0.00 -0.55 0.00 0.00 66.41 66.00 2c3n h THR 226 Cb 1.30 1.44 -0.02 0.00 -1.73 0.00 0.00 68.15 69.14 2c3n h THR 226 CO -0.36 0.12 0.25 0.40 -0.25 0.00 0.00 175.52 175.68 2c3n h ILE 227 N -0.23 1.13 -0.46 6.82 2.04 -1.73 -2.80 117.51 122.29 2c3n h ILE 227 Ca -0.00 -0.30 0.02 0.00 1.00 0.00 0.00 64.86 65.57 2c3n h ILE 227 Cb 0.21 0.60 -0.03 0.00 -0.74 0.00 0.00 36.82 36.86 2c3n h ILE 227 CO 0.00 0.13 0.27 0.50 0.00 0.00 0.00 178.15 179.06 2c3n h LYS 228 N 0.54 0.54 -0.89 2.37 3.64 -1.05 -0.77 116.57 120.95 2c3n h LYS 228 Ca 0.15 -0.03 0.03 0.00 -1.27 0.00 0.00 60.65 59.52 2c3n h LYS 228 Cb 0.00 -0.12 -0.05 0.00 -0.41 0.00 0.00 32.23 31.65 2c3n h LYS 228 CO -0.03 0.35 0.58 0.37 -2.27 0.00 0.00 179.45 178.46 2c3n h GLN 229 N 0.55 1.11 -0.42 1.90 -0.00 -1.37 -1.39 115.11 115.49 2c3n h GLN 229 Ca 0.18 -0.07 -0.08 0.00 -0.00 0.00 0.00 58.65 58.69 2c3n h GLN 229 Cb 0.01 -0.25 -0.01 0.00 0.00 0.00 0.00 27.48 27.22 2c3n h GLN 229 CO -0.08 0.73 -0.05 -0.22 0.00 0.00 0.00 178.83 179.21 2c3n h LYS 230 N 1.14 0.77 0.03 1.69 3.64 -1.10 -3.32 116.57 119.42 2c3n h LYS 230 Ca 0.34 -0.27 -0.24 0.00 -1.27 0.00 0.00 60.65 59.21 2c3n h LYS 230 Cb -0.03 -0.06 -0.03 0.00 -0.41 0.00 0.00 32.23 31.70 2c3n h LYS 230 CO -0.09 0.87 -1.22 -0.07 -2.27 0.00 0.00 179.45 176.67 2c3n h LEU 231 N 0.60 0.11 -0.53 5.20 3.38 -0.82 -3.40 115.31 119.85 2c3n h LEU 231 Ca 0.11 -0.14 0.10 0.00 0.09 0.00 0.00 57.88 58.05 2c3n h LEU 231 Cb 0.56 -0.04 -0.11 0.00 0.09 0.00 0.00 40.66 41.16 2c3n h LEU 231 CO 0.03 1.11 -0.21 -0.03 0.09 0.00 0.00 178.44 179.43 2c3n h MET 232 N 0.02 -0.09 -0.43 1.13 4.05 -1.36 0.13 114.93 118.39 2c3n h MET 232 Ca -0.10 0.01 -0.02 0.00 -0.28 0.00 0.00 59.70 59.30 2c3n h MET 232 Cb 1.87 0.02 -0.02 0.00 -0.80 0.00 0.00 31.60 32.67 2c3n h MET 232 CO 0.14 -0.06 0.17 -1.35 0.23 0.00 0.00 176.91 176.04 2c3n h PRO 233 N -0.09 0.61 0.06 0.39 0.11 -1.79 -1.23 132.00 130.06 2c3n h PRO 233 Ca 0.24 -0.08 -0.00 0.00 0.11 0.00 0.00 66.00 66.27 2c3n h PRO 233 Cb 0.47 -0.12 0.00 0.00 0.11 0.00 0.00 31.00 31.47 2c3n h PRO 233 CO -0.59 0.50 -0.03 2.35 -0.21 0.00 0.00 178.00 180.03 2c3n h TRP 234 N 0.61 -0.08 -0.29 0.65 7.01 -1.27 -2.47 115.95 120.11 2c3n h TRP 234 Ca 0.15 -0.00 0.05 0.00 2.11 0.00 0.00 58.89 61.19 2c3n h TRP 234 Cb 0.12 0.03 -0.04 0.00 -2.10 0.00 0.00 29.16 27.16 2c3n h TRP 234 CO 0.01 -0.04 0.02 0.28 -2.79 0.00 0.00 178.44 175.92 2c3n h VAL 235 N -0.10 0.82 -0.46 2.65 2.07 -0.72 -2.15 116.25 118.36 2c3n h VAL 235 Ca -0.01 -0.04 -0.02 0.00 0.82 0.00 0.00 66.70 67.45 2c3n h VAL 235 Cb 0.08 0.70 -0.02 0.00 -1.52 0.00 0.00 31.29 30.52 2c3n h VAL 235 CO 0.01 0.02 0.21 -0.07 0.02 0.00 0.00 177.57 177.77 2c3n h LEU 236 N 0.11 0.61 -1.51 2.57 3.38 -1.20 -1.89 115.31 117.39 2c3n h LEU 236 Ca 0.14 -0.14 -0.03 0.00 0.09 0.00 0.00 57.88 57.94 2c3n h LEU 236 Cb 0.17 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 40.75 2c3n h LEU 236 CO -0.21 0.58 0.00 0.00 0.09 0.00 0.00 178.44 178.90 2c3n h ALA 237 N 1.06 1.60 0.06 1.53 0.00 -1.33 -3.15 119.26 119.03 2c3n h ALA 237 Ca 0.16 -0.13 -0.25 0.00 0.00 0.00 0.00 54.91 54.68 2c3n h ALA 237 Cb 0.13 -0.10 0.01 0.00 0.00 0.00 0.00 17.79 17.83 2c3n h ALA 237 CO -0.02 0.30 -1.09 1.98 0.00 0.00 0.00 179.25 180.42 2c3n h MET 238 N 0.31 0.43 -0.02 0.00 1.85 -0.67 -3.27 114.93 113.56 2c3n h MET 238 Ca 0.07 -0.54 0.00 0.00 -0.61 0.00 0.00 59.70 58.62 2c3n h MET 238 Cb 0.21 0.17 0.00 0.00 0.43 0.00 0.00 31.60 32.41 2c3n h MET 238 CO 0.00 1.20 -0.22 0.44 -0.40 0.00 0.00 176.91 177.93 2c3n n ILE 239 N -3.70 0.00 0.00 1.77 -5.35 -1.03 -5.02 119.36 106.02 2c3n n ILE 239 Ca -0.09 -0.30 0.00 0.00 -0.27 0.00 0.00 62.75 62.09 2c3n n ILE 239 Cb 0.92 1.04 0.00 0.00 -1.74 0.00 0.00 39.64 39.86 2c3n n ILE 239 CO 0.00 0.00 0.00 -2.11 -1.76 0.00 0.00 176.55 172.68