#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2c3t s LEU 3 N 0.00 4.47 -0.03 0.99 2.96 -1.26 -3.94 118.68 121.88 2c3t s LEU 3 Ca 0.00 1.86 0.04 0.00 -0.22 0.00 0.00 54.13 55.81 2c3t s LEU 3 Cb 0.00 -3.59 -0.00 0.00 0.50 0.00 0.00 46.19 43.10 2c3t s LEU 3 CO 0.00 -0.15 -0.15 -1.61 -1.32 0.00 0.00 176.35 173.12 2c3t s GLU 4 N 0.11 1.41 -0.25 1.98 2.02 0.26 -0.78 118.70 123.45 2c3t s GLU 4 Ca 0.49 -0.52 0.01 0.00 0.02 0.00 0.00 54.97 54.97 2c3t s GLU 4 Cb -0.25 -1.29 0.06 0.00 0.10 0.00 0.00 34.13 32.76 2c3t s GLU 4 CO 0.31 0.25 -0.04 -0.51 0.02 0.00 0.00 175.26 175.28 2c3t s LEU 5 N -0.07 2.70 -0.52 1.80 1.43 0.01 -1.13 118.68 122.90 2c3t s LEU 5 Ca -0.00 -1.26 -0.27 0.00 -1.03 0.00 0.00 54.13 51.57 2c3t s LEU 5 Cb -0.09 -1.20 0.03 0.00 0.03 0.00 0.00 46.19 44.97 2c3t s LEU 5 CO 0.01 -0.25 1.07 -0.31 0.23 0.00 0.00 176.35 177.09 2c3t s TYR 6 N 1.37 2.76 0.10 0.29 1.51 -0.53 -1.50 117.35 121.35 2c3t s TYR 6 Ca -0.04 0.39 0.02 0.00 -1.01 0.00 0.00 57.07 56.42 2c3t s TYR 6 Cb -0.19 -4.29 -0.04 0.00 -0.11 0.00 0.00 41.96 37.33 2c3t s TYR 6 CO -0.07 -1.36 -0.07 -0.51 -1.11 0.00 0.00 175.55 172.44 2c3t s LEU 7 N 4.36 2.50 -0.17 -1.29 1.43 -0.42 -2.87 118.68 122.23 2c3t s LEU 7 Ca 0.40 -0.99 -0.04 0.00 -1.03 0.00 0.00 54.13 52.47 2c3t s LEU 7 Cb -0.09 -0.07 0.07 0.00 0.03 0.00 0.00 46.19 46.13 2c3t s LEU 7 CO 0.26 -0.46 0.18 -0.62 0.23 0.00 0.00 176.35 175.94 2c3t s ASP 8 N -3.00 1.46 0.00 2.29 2.15 -1.26 -1.19 116.67 117.13 2c3t s ASP 8 Ca 0.11 -0.19 0.00 0.00 0.43 0.00 0.00 52.55 52.90 2c3t s ASP 8 Cb 0.05 0.21 0.00 0.00 -0.30 0.00 0.00 42.92 42.88 2c3t s ASP 8 CO -0.05 -0.31 0.68 0.18 -0.17 0.00 0.00 175.17 175.50 2c3t n LEU 9 N 5.31 0.00 0.07 -1.34 4.77 -1.26 -1.16 117.00 123.39 2c3t n LEU 9 Ca -0.06 0.19 -0.11 0.00 -0.03 0.00 0.00 56.01 56.00 2c3t n LEU 9 Cb 0.49 -0.19 -0.03 0.00 -2.33 0.00 0.00 43.42 41.37 2c3t n LEU 9 CO 0.08 -0.19 0.22 0.25 -1.33 0.00 0.00 177.39 176.42 2c3t h LEU 10 N 0.00 0.41 -9.51 2.23 5.85 -1.93 -3.37 115.31 108.99 2c3t h LEU 10 Ca 0.00 -0.33 -0.53 0.00 0.84 0.00 0.00 57.88 57.86 2c3t h LEU 10 Cb 0.00 -0.13 -0.01 0.00 0.37 0.00 0.00 40.66 40.90 2c3t h LEU 10 CO 0.00 1.13 0.45 -0.55 -0.34 0.00 0.00 178.44 179.13 2c3t s SER 11 N -7.01 7.28 0.11 1.25 0.15 -0.31 -4.84 113.70 110.32 2c3t s SER 11 Ca -0.05 1.89 -0.33 0.00 0.70 0.00 0.00 55.95 58.16 2c3t s SER 11 Cb 0.09 -2.58 -0.12 0.00 -1.71 0.00 0.00 66.02 61.70 2c3t s SER 11 CO 0.85 -0.29 1.58 1.56 1.20 0.00 0.00 173.24 178.14 2c3t h GLN 12 N 6.23 -0.71 -0.30 5.44 4.20 -1.87 -2.43 115.11 125.67 2c3t h GLN 12 Ca -0.42 0.05 -0.02 0.00 0.06 0.00 0.00 58.65 58.32 2c3t h GLN 12 Cb 1.21 0.16 -0.02 0.00 0.30 0.00 0.00 27.48 29.14 2c3t h GLN 12 CO 0.76 -0.47 0.11 -1.00 -0.67 0.00 0.00 178.83 177.55 2c3t h PRO 13 N -0.74 0.42 -0.16 1.46 0.13 -1.94 -2.24 132.00 128.93 2c3t h PRO 13 Ca 0.00 -0.05 -0.06 0.00 -0.87 0.00 0.00 66.00 65.02 2c3t h PRO 13 Cb 0.73 -0.08 -0.01 0.00 0.13 0.00 0.00 31.00 31.77 2c3t h PRO 13 CO -0.23 0.37 -0.18 0.00 -0.23 0.00 0.00 178.00 177.72 2c3t h ARG 15 N 0.26 0.69 -0.25 0.00 3.08 -0.92 -0.41 114.38 116.82 2c3t h ARG 15 Ca 0.05 -0.49 -0.02 0.00 0.07 0.00 0.00 59.98 59.59 2c3t h ARG 15 Cb 0.48 0.08 -0.01 0.00 0.08 0.00 0.00 29.97 30.60 2c3t h ARG 15 CO 0.03 1.11 0.09 0.00 -1.07 0.00 0.00 179.97 180.13 2c3t h ALA 16 N 0.77 0.33 0.02 0.04 0.00 -1.14 -1.29 119.26 117.99 2c3t h ALA 16 Ca -0.01 -0.13 -0.00 0.00 0.00 0.00 0.00 54.91 54.77 2c3t h ALA 16 Cb 1.23 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.92 2c3t h ALA 16 CO 0.13 -0.06 -0.01 0.28 0.00 0.00 0.00 179.25 179.59 2c3t h VAL 17 N 0.25 1.09 0.14 0.00 2.07 -1.18 -1.93 116.25 116.70 2c3t h VAL 17 Ca 0.08 -0.34 0.02 0.00 0.82 0.00 0.00 66.70 67.28 2c3t h VAL 17 Cb 0.21 1.32 -0.04 0.00 -1.52 0.00 0.00 31.29 31.26 2c3t h VAL 17 CO -0.00 0.09 -0.41 0.22 0.02 0.00 0.00 177.57 177.48 2c3t h TYR 18 N -0.17 -1.15 -0.95 1.57 3.20 -0.99 0.09 116.97 118.57 2c3t h TYR 18 Ca -0.00 0.03 0.08 0.00 3.14 0.00 0.00 58.73 61.98 2c3t h TYR 18 Cb 0.16 0.48 -0.07 0.00 1.54 0.00 0.00 36.73 38.84 2c3t h TYR 18 CO -0.03 -0.51 0.60 0.82 -1.64 0.00 0.00 178.16 177.40 2c3t h ILE 19 N -0.66 1.01 -0.32 1.81 2.04 -1.26 -1.51 117.51 118.62 2c3t h ILE 19 Ca 0.02 -0.36 -0.07 0.00 1.00 0.00 0.00 64.86 65.46 2c3t h ILE 19 Cb 0.68 -0.12 -0.01 0.00 -0.74 0.00 0.00 36.82 36.63 2c3t h ILE 19 CO -0.22 0.19 -0.06 0.15 0.00 0.00 0.00 178.15 178.21 2c3t h PHE 20 N 1.04 0.68 -0.66 1.37 3.57 -0.86 -0.04 116.94 122.04 2c3t h PHE 20 Ca 0.44 -0.14 -0.07 0.00 3.53 0.00 0.00 57.97 61.73 2c3t h PHE 20 Cb 0.29 -0.17 -0.03 0.00 2.79 0.00 0.00 35.95 38.83 2c3t h PHE 20 CO -0.02 0.77 0.15 0.00 -2.23 0.00 0.00 178.31 176.98 2c3t h ALA 21 N 0.81 0.87 0.04 2.41 0.00 -0.57 -2.20 119.26 120.63 2c3t h ALA 21 Ca 0.08 -0.25 -0.24 0.00 0.00 0.00 0.00 54.91 54.51 2c3t h ALA 21 Cb 0.54 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 18.06 2c3t h ALA 21 CO 0.03 0.61 -1.11 0.87 0.00 0.00 0.00 179.25 179.64 2c3t h LYS 22 N 1.00 0.09 -0.25 0.00 1.57 -1.25 0.12 116.57 117.85 2c3t h LYS 22 Ca 0.21 -0.16 -0.06 0.00 -1.87 0.00 0.00 60.65 58.77 2c3t h LYS 22 Cb 0.39 0.06 -0.01 0.00 0.08 0.00 0.00 32.23 32.74 2c3t h LYS 22 CO 0.01 1.06 -0.09 -0.22 -0.57 0.00 0.00 179.45 179.63 2c3t h LYS 23 N 0.03 0.40 -0.64 3.15 1.63 -0.89 -2.32 116.57 117.92 2c3t h LYS 23 Ca -0.06 -0.10 0.00 0.00 -0.85 0.00 0.00 60.65 59.64 2c3t h LYS 23 Cb 1.85 -0.05 0.00 0.00 -0.60 0.00 0.00 32.23 33.43 2c3t h LYS 23 CO 0.15 0.50 0.00 0.09 -3.45 0.00 0.00 179.45 176.74 2c3t n ASN 24 N -4.25 4.65 -3.47 4.20 3.02 -0.84 -4.93 115.26 113.64 2c3t n ASN 24 Ca 0.00 -2.55 -0.24 0.00 -0.03 0.00 0.00 54.58 51.77 2c3t n ASN 24 Cb 0.28 -0.59 -0.01 0.00 -0.61 0.00 0.00 39.78 38.84 2c3t n ASN 24 CO 0.00 0.00 0.00 0.47 -2.62 0.00 0.00 177.26 175.11 2c3t n ASP 25 N 0.86 -3.18 -4.69 6.41 8.00 -0.87 -4.91 116.55 118.17 2c3t n ASP 25 Ca 0.24 -0.44 -0.42 0.00 0.71 0.00 0.00 54.79 54.87 2c3t n ASP 25 Cb 0.91 -2.66 -0.03 0.00 -0.02 0.00 0.00 41.12 39.33 2c3t n ASP 25 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 2c3t s ILE 26 N -2.90 4.31 -0.47 0.53 1.01 0.40 -4.99 121.20 119.09 2c3t s ILE 26 Ca 0.43 1.63 -0.29 0.00 0.00 0.00 0.00 60.65 62.43 2c3t s ILE 26 Cb -0.24 -4.05 0.03 0.00 0.01 0.00 0.00 42.46 38.21 2c3t s ILE 26 CO 0.53 0.02 1.15 -2.16 0.00 0.00 0.00 174.94 174.49 2c3t s PRO 27 N 2.00 3.72 0.08 2.79 0.04 -1.26 -4.71 135.00 137.66 2c3t s PRO 27 Ca 0.55 0.59 -0.00 0.00 0.04 0.00 0.00 61.00 62.18 2c3t s PRO 27 Cb -0.24 -3.91 -0.04 0.00 0.04 0.00 0.00 34.50 30.34 2c3t s PRO 27 CO 0.23 -1.39 -0.02 -0.59 0.04 0.00 0.00 177.00 175.27 2c3t s PHE 28 N 4.50 0.69 -0.22 0.56 -0.12 -1.26 -4.61 117.98 117.52 2c3t s PHE 28 Ca 0.49 -1.07 -0.06 0.00 -0.05 0.00 0.00 56.93 56.23 2c3t s PHE 28 Cb -0.07 -0.45 -0.03 0.00 -0.63 0.00 0.00 43.02 41.84 2c3t s PHE 28 CO 0.32 -0.36 0.03 -2.00 -0.05 0.00 0.00 175.22 173.16 2c3t s GLU 29 N -3.93 3.64 0.27 1.99 2.12 0.04 -4.94 118.70 117.89 2c3t s GLU 29 Ca 0.12 -0.50 -0.29 0.00 0.36 0.00 0.00 54.97 54.66 2c3t s GLU 29 Cb 0.07 -3.19 -0.09 0.00 0.26 0.00 0.00 34.13 31.18 2c3t s GLU 29 CO -0.06 -0.07 1.02 -1.17 -0.54 0.00 0.00 175.26 174.44 2c3t s LEU 30 N 1.26 4.56 -0.41 2.70 2.96 -1.26 -0.81 118.68 127.69 2c3t s LEU 30 Ca 0.04 2.10 0.01 0.00 -0.22 0.00 0.00 54.13 56.06 2c3t s LEU 30 Cb -0.15 -3.67 0.14 0.00 0.50 0.00 0.00 46.19 43.01 2c3t s LEU 30 CO 0.02 -0.03 0.24 -0.13 -1.32 0.00 0.00 176.35 175.14 2c3t s ARG 31 N -1.42 0.96 -0.04 1.98 1.81 -0.56 -4.91 118.95 116.78 2c3t s ARG 31 Ca 0.44 -1.76 -0.30 0.00 -1.72 0.00 0.00 55.73 52.40 2c3t s ARG 31 Cb -0.28 -1.83 -0.06 0.00 -0.45 0.00 0.00 34.95 32.33 2c3t s ARG 31 CO 0.36 -1.21 1.63 0.42 -0.68 0.00 0.00 175.30 175.82 2c3t s ILE 32 N 0.59 3.53 -0.67 1.52 -1.09 -1.25 -1.30 121.20 122.52 2c3t s ILE 32 Ca 0.19 0.71 -0.11 0.00 -2.23 0.00 0.00 60.65 59.21 2c3t s ILE 32 Cb -0.21 -3.46 0.17 0.00 -1.58 0.00 0.00 42.46 37.39 2c3t s ILE 32 CO -0.02 -0.05 0.58 -0.69 -1.23 0.00 0.00 174.94 173.53 2c3t s VAL 33 N 3.74 4.91 -0.71 2.92 1.01 -0.33 -4.89 120.40 127.04 2c3t s VAL 33 Ca 0.73 -2.29 -0.26 0.00 0.00 0.00 0.00 61.98 60.16 2c3t s VAL 33 Cb -0.34 -4.11 -0.08 0.00 0.00 0.00 0.00 36.38 31.85 2c3t s VAL 33 CO 0.30 -0.93 2.20 -0.62 0.00 0.00 0.00 175.10 176.05 2c3t s ASP 34 N 2.19 4.58 0.44 3.32 3.68 -1.26 -4.44 116.67 125.17 2c3t s ASP 34 Ca 0.13 0.18 0.13 0.00 2.13 0.00 0.00 52.55 55.13 2c3t s ASP 34 Cb -0.18 -2.54 0.97 0.00 -1.45 0.00 0.00 42.92 39.72 2c3t s ASP 34 CO -0.04 -3.09 1.99 -0.07 0.13 0.00 0.00 175.17 174.09 2c3t h LEU 35 N 19.58 0.07 -1.70 -1.34 3.38 -1.95 -2.13 115.31 131.22 2c3t h LEU 35 Ca -0.08 -0.01 -0.03 0.00 0.09 0.00 0.00 57.88 57.84 2c3t h LEU 35 Cb 1.10 -0.02 -0.00 0.00 0.09 0.00 0.00 40.66 41.83 2c3t h LEU 35 CO 1.13 0.22 -0.13 0.40 0.09 0.00 0.00 178.44 180.15 2c3t h ILE 36 N 0.07 1.11 -0.54 1.22 2.04 -2.03 -1.99 117.51 117.39 2c3t h ILE 36 Ca 0.01 -0.49 0.00 0.00 1.00 0.00 0.00 64.86 65.38 2c3t h ILE 36 Cb 0.29 1.25 0.00 0.00 -0.74 0.00 0.00 36.82 37.62 2c3t h ILE 36 CO 0.02 0.14 0.00 0.29 0.00 0.00 0.00 178.15 178.60 2c3t n LYS 37 N -4.37 4.19 -2.75 2.37 5.02 -1.00 -4.94 118.16 116.68 2c3t n LYS 37 Ca -0.02 -3.00 -0.19 0.00 -2.02 0.00 0.00 58.31 53.07 2c3t n LYS 37 Cb 0.21 -2.06 0.01 0.00 -0.02 0.00 0.00 35.03 33.16 2c3t n LYS 37 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2c3t n GLY 38 N 0.58 -0.50 0.26 0.72 0.00 -0.75 -4.88 105.19 100.63 2c3t n GLY 38 Ca 0.26 0.05 0.17 0.00 0.00 0.00 0.00 46.02 46.50 2c3t n GLY 38 CO 0.00 0.00 0.00 -1.61 0.00 0.00 0.00 173.32 171.71 2c3t h GLN 39 N -0.56 0.00 0.00 1.61 4.15 -1.62 -2.33 115.11 116.37 2c3t h GLN 39 Ca -0.44 0.00 0.00 0.00 0.77 0.00 0.00 58.65 58.98 2c3t h GLN 39 Cb 1.31 0.00 0.00 0.00 0.21 0.00 0.00 27.48 29.00 2c3t h GLN 39 CO 0.51 0.00 -0.09 1.12 -1.93 0.00 0.00 178.83 178.43 2c3t h HIS 40 N 0.00 0.00 -0.02 3.99 2.07 -1.89 -3.10 115.15 116.20 2c3t h HIS 40 Ca 0.00 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.52 2c3t h HIS 40 Cb 0.36 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.34 2c3t h HIS 40 CO 0.00 0.00 -0.01 1.28 -3.07 0.00 0.00 177.93 176.13 2c3t n LEU 41 N -2.84 1.93 -4.81 6.12 4.77 -0.88 -4.51 117.00 116.79 2c3t n LEU 41 Ca 0.04 -0.64 -0.30 0.00 -0.03 0.00 0.00 56.01 55.08 2c3t n LEU 41 Cb 0.51 -0.00 0.08 0.00 -2.33 0.00 0.00 43.42 41.68 2c3t n LEU 41 CO 0.34 0.32 0.71 -0.94 -1.33 0.00 0.00 177.39 176.49 2c3t s SER 42 N -2.01 4.65 0.31 -1.43 1.04 -1.17 -4.90 113.70 110.18 2c3t s SER 42 Ca 0.35 1.37 0.13 0.00 0.48 0.00 0.00 55.95 58.27 2c3t s SER 42 Cb 0.21 -2.13 0.49 0.00 0.10 0.00 0.00 66.02 64.68 2c3t s SER 42 CO 0.33 -1.88 1.67 0.44 0.98 0.00 0.00 173.24 174.78 2c3t h ASP 43 N -1.03 0.00 0.78 7.02 3.45 -1.93 -1.91 116.42 122.82 2c3t h ASP 43 Ca -0.46 0.00 -0.02 0.00 0.43 0.00 0.00 57.03 56.97 2c3t h ASP 43 Cb 1.26 0.00 -0.00 0.00 -0.56 0.00 0.00 39.33 40.02 2c3t h ASP 43 CO 0.59 0.53 -0.12 0.00 -1.57 0.00 0.00 179.24 178.67 2c3t h ALA 44 N 1.47 1.07 0.00 3.45 0.00 -1.93 -3.24 119.26 120.08 2c3t h ALA 44 Ca -0.01 -0.11 -0.18 0.00 0.00 0.00 0.00 54.91 54.62 2c3t h ALA 44 Cb 0.98 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 18.72 2c3t h ALA 44 CO 0.07 0.14 -1.92 0.34 0.00 0.00 0.00 179.25 177.88 2c3t n PHE 45 N -3.32 0.00 0.31 0.00 7.35 -1.08 -4.45 117.46 116.27 2c3t n PHE 45 Ca -0.00 0.00 0.19 0.00 -0.76 0.00 0.00 57.45 56.88 2c3t n PHE 45 Cb 0.33 -0.61 1.03 0.00 0.35 0.00 0.00 39.48 40.58 2c3t n PHE 45 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 2c3t h ALA 46 N 0.98 1.18 0.00 3.13 0.00 -1.38 0.21 119.26 123.38 2c3t h ALA 46 Ca -0.27 -0.01 -0.07 0.00 0.00 0.00 0.00 54.91 54.56 2c3t h ALA 46 Cb 1.52 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 19.30 2c3t h ALA 46 CO 0.01 0.02 -0.33 0.37 0.00 0.00 0.00 179.25 179.32 2c3t h GLN 47 N 0.00 0.00 0.15 0.00 5.75 -1.78 -3.13 115.11 116.10 2c3t h GLN 47 Ca -0.00 0.00 -0.35 0.00 -0.15 0.00 0.00 58.65 58.15 2c3t h GLN 47 Cb 0.09 0.00 -0.01 0.00 1.07 0.00 0.00 27.48 28.63 2c3t h GLN 47 CO 0.00 0.33 -1.82 0.28 -2.65 0.00 0.00 178.83 174.98 2c3t h VAL 48 N 0.00 0.84 -1.83 2.39 2.07 -0.87 -3.46 116.25 115.39 2c3t h VAL 48 Ca -0.00 -2.49 -0.16 0.00 0.82 0.00 0.00 66.70 64.86 2c3t h VAL 48 Cb 1.07 2.65 -0.29 0.00 -1.52 0.00 0.00 31.29 33.20 2c3t h VAL 48 CO 0.04 0.85 -0.50 0.21 0.02 0.00 0.00 177.57 178.20 2c3t s ASN 49 N -7.10 0.29 0.55 0.57 2.47 -0.43 -5.01 114.94 106.29 2c3t s ASN 49 Ca -0.17 0.03 0.24 0.00 0.42 0.00 0.00 52.86 53.38 2c3t s ASN 49 Cb 0.06 1.12 1.48 0.00 -1.45 0.00 0.00 41.25 42.46 2c3t s ASN 49 CO 0.82 -0.32 2.10 -0.65 -3.72 0.00 0.00 177.10 175.34 2c3t h PRO 50 N 8.18 0.00 0.00 0.43 0.11 -1.82 0.66 132.00 139.56 2c3t h PRO 50 Ca -0.16 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.95 2c3t h PRO 50 Cb 1.14 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.25 2c3t h PRO 50 CO 0.27 0.00 0.00 1.28 -0.21 0.00 0.00 178.00 179.34 2c3t n LEU 51 N -4.20 0.49 -3.75 2.35 4.77 -1.26 -4.91 117.00 110.49 2c3t n LEU 51 Ca 0.02 0.60 -0.27 0.00 -0.03 0.00 0.00 56.01 56.33 2c3t n LEU 51 Cb 0.30 -0.52 0.05 0.00 -2.33 0.00 0.00 43.42 40.93 2c3t n LEU 51 CO 0.32 -0.40 0.17 0.29 -1.33 0.00 0.00 177.39 176.45 2c3t n LYS 52 N -2.03 -6.67 -4.06 3.23 5.02 0.22 -5.00 118.16 108.88 2c3t n LYS 52 Ca 0.03 0.71 -0.13 0.00 -2.02 0.00 0.00 58.31 56.90 2c3t n LYS 52 Cb 0.25 -5.68 -0.12 0.00 -0.02 0.00 0.00 35.03 29.46 2c3t n LYS 52 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 2c3t s LYS 53 N -6.47 0.47 0.22 1.97 1.02 -1.26 -4.69 119.74 111.01 2c3t s LYS 53 Ca 0.63 -0.66 0.06 0.00 0.02 0.00 0.00 55.97 56.02 2c3t s LYS 53 Cb -0.30 -0.24 -0.04 0.00 -0.52 0.00 0.00 37.83 36.73 2c3t s LYS 53 CO 0.77 0.04 0.20 0.14 -0.92 0.00 0.00 175.35 175.58 2c3t s VAL 54 N -1.22 4.56 0.71 3.17 -7.23 -1.26 -4.54 120.40 114.60 2c3t s VAL 54 Ca -0.09 -1.24 -0.11 0.00 -1.81 0.00 0.00 61.98 58.72 2c3t s VAL 54 Cb -0.09 -3.42 0.02 0.00 0.56 0.00 0.00 36.38 33.45 2c3t s VAL 54 CO 0.00 -0.26 1.09 -2.16 -0.31 0.00 0.00 175.10 173.46 2c3t s PRO 55 N -3.60 2.83 -0.06 4.82 0.04 -1.26 -4.84 135.00 132.93 2c3t s PRO 55 Ca 0.32 0.54 -0.04 0.00 0.04 0.00 0.00 61.00 61.87 2c3t s PRO 55 Cb -0.09 -2.01 0.03 0.00 0.04 0.00 0.00 34.50 32.47 2c3t s PRO 55 CO 0.25 -1.08 0.14 0.00 0.04 0.00 0.00 177.00 176.35 2c3t s ALA 56 N -3.30 -0.29 0.07 8.56 0.00 -1.14 -4.39 121.76 121.27 2c3t s ALA 56 Ca 0.58 0.55 0.03 0.00 0.00 0.00 0.00 51.96 53.12 2c3t s ALA 56 Cb -0.12 -0.35 -0.04 0.00 0.00 0.00 0.00 23.12 22.61 2c3t s ALA 56 CO 0.52 -0.12 0.06 -1.17 0.00 0.00 0.00 175.76 175.06 2c3t s LEU 57 N 0.69 3.75 -0.08 0.00 0.20 -0.27 -1.45 118.68 121.53 2c3t s LEU 57 Ca -0.05 -0.02 -0.03 0.00 0.69 0.00 0.00 54.13 54.72 2c3t s LEU 57 Cb -0.07 -2.40 0.04 0.00 -0.43 0.00 0.00 46.19 43.33 2c3t s LEU 57 CO -0.03 0.19 0.16 -0.75 -0.29 0.00 0.00 176.35 175.62 2c3t s LYS 58 N -2.27 0.05 -0.41 1.98 2.47 -0.29 -2.36 119.74 118.92 2c3t s LYS 58 Ca 0.28 0.51 0.04 0.00 -1.56 0.00 0.00 55.97 55.23 2c3t s LYS 58 Cb -0.12 -0.25 0.17 0.00 -1.46 0.00 0.00 37.83 36.17 2c3t s LYS 58 CO 0.20 -0.27 0.40 0.34 0.16 0.00 0.00 175.35 176.18 2c3t s ASP 59 N 1.97 1.04 1.01 1.43 2.15 -0.29 0.92 116.67 124.90 2c3t s ASP 59 Ca -0.00 -2.38 0.00 0.00 0.43 0.00 0.00 52.55 50.60 2c3t s ASP 59 Cb -0.12 0.21 0.00 0.00 -0.30 0.00 0.00 42.92 42.72 2c3t s ASP 59 CO -0.06 -0.19 0.00 0.61 -0.17 0.00 0.00 175.17 175.36 2c3t n GLY 60 N 3.34 0.72 1.51 2.66 0.00 -1.25 -2.85 105.19 109.32 2c3t n GLY 60 Ca 0.21 -0.65 0.06 0.00 0.00 0.00 0.00 46.02 45.65 2c3t n GLY 60 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2c3t n ASP 61 N 7.41 4.45 -4.38 1.61 5.75 -1.26 -4.83 116.55 125.30 2c3t n ASP 61 Ca 0.00 -2.62 -0.36 0.00 -0.01 0.00 0.00 54.79 51.80 2c3t n ASP 61 Cb 0.00 -0.61 -0.13 0.00 -1.03 0.00 0.00 41.12 39.35 2c3t n ASP 61 CO 0.00 0.00 0.00 0.12 -0.11 0.00 0.00 177.20 177.21 2c3t s PHE 62 N -2.21 3.03 0.02 2.11 5.36 -1.13 -5.09 117.98 120.07 2c3t s PHE 62 Ca 0.42 -0.66 0.09 0.00 -0.96 0.00 0.00 56.93 55.82 2c3t s PHE 62 Cb 0.31 -2.17 -0.03 0.00 -0.34 0.00 0.00 43.02 40.79 2c3t s PHE 62 CO 0.14 -0.44 -0.26 0.99 -1.46 0.00 0.00 175.22 174.19 2c3t s THR 63 N 1.54 2.10 -0.04 0.12 2.01 -1.26 -1.13 115.64 118.97 2c3t s THR 63 Ca 0.06 -1.29 -0.02 0.00 0.31 0.00 0.00 61.69 60.75 2c3t s THR 63 Cb -0.15 -1.78 0.02 0.00 0.01 0.00 0.00 72.50 70.61 2c3t s THR 63 CO 0.00 0.44 0.08 -0.22 -0.69 0.00 0.00 174.62 174.23 2c3t s LEU 64 N -1.02 1.21 0.53 4.42 2.96 -0.99 -4.98 118.68 120.81 2c3t s LEU 64 Ca 0.11 0.15 0.04 0.00 -0.22 0.00 0.00 54.13 54.22 2c3t s LEU 64 Cb -0.10 0.17 0.02 0.00 0.50 0.00 0.00 46.19 46.78 2c3t s LEU 64 CO 0.01 -0.10 0.27 0.42 -1.32 0.00 0.00 176.35 175.64 2c3t s THR 65 N 0.73 1.54 -0.03 3.68 -4.23 -1.26 -1.11 115.64 114.95 2c3t s THR 65 Ca -0.06 -1.65 -0.02 0.00 -1.18 0.00 0.00 61.69 58.78 2c3t s THR 65 Cb -0.08 -2.19 0.01 0.00 1.34 0.00 0.00 72.50 71.58 2c3t s THR 65 CO -0.03 0.00 0.05 -0.62 -0.54 0.00 0.00 174.62 173.48 2c3t n GLU 66 N -1.59 -2.33 0.06 3.99 -0.58 -1.26 -4.46 120.64 114.47 2c3t n GLU 66 Ca -0.07 1.98 0.16 0.00 -0.42 0.00 0.00 57.16 58.81 2c3t n GLU 66 Cb 0.65 -2.64 0.65 0.00 -0.57 0.00 0.00 31.44 29.54 2c3t n GLU 66 CO 0.00 0.00 0.00 0.66 -0.48 0.00 0.00 177.13 177.31 2c3t h SER 67 N 1.96 0.05 -0.65 1.62 4.64 -1.92 -0.27 113.55 118.98 2c3t h SER 67 Ca -0.10 0.00 -0.07 0.00 -0.47 0.00 0.00 61.79 61.15 2c3t h SER 67 Cb 0.23 -0.01 -0.03 0.00 -0.31 0.00 0.00 62.40 62.29 2c3t h SER 67 CO 0.00 0.03 0.15 0.58 -0.87 0.00 0.00 176.83 176.72 2c3t h VAL 68 N 0.05 1.26 -0.24 0.95 2.07 -1.97 0.28 116.25 118.66 2c3t h VAL 68 Ca 0.19 -0.96 -0.14 0.00 0.82 0.00 0.00 66.70 66.61 2c3t h VAL 68 Cb 0.68 0.64 -0.01 0.00 -1.52 0.00 0.00 31.29 31.08 2c3t h VAL 68 CO -0.01 0.36 -0.45 0.00 0.02 0.00 0.00 177.57 177.49 2c3t h ALA 69 N 1.05 0.77 -0.07 1.67 0.00 -1.34 -2.39 119.26 118.95 2c3t h ALA 69 Ca 0.20 -0.46 -0.02 0.00 0.00 0.00 0.00 54.91 54.63 2c3t h ALA 69 Cb 0.38 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 18.06 2c3t h ALA 69 CO 0.00 0.66 -0.02 0.82 0.00 0.00 0.00 179.25 180.72 2c3t h ILE 70 N 0.48 1.29 -0.93 0.00 2.04 -0.89 -1.38 117.51 118.13 2c3t h ILE 70 Ca 0.03 -0.94 0.00 0.00 1.00 0.00 0.00 64.86 64.96 2c3t h ILE 70 Cb 0.97 1.77 -0.05 0.00 -0.74 0.00 0.00 36.82 38.78 2c3t h ILE 70 CO 0.09 0.26 0.59 -0.07 0.00 0.00 0.00 178.15 179.02 2c3t h LEU 71 N -0.19 1.09 -0.43 1.44 3.38 -0.41 -0.41 115.31 119.77 2c3t h LEU 71 Ca 0.02 -0.05 -0.17 0.00 0.09 0.00 0.00 57.88 57.77 2c3t h LEU 71 Cb 0.42 -0.28 -0.00 0.00 0.09 0.00 0.00 40.66 40.89 2c3t h LEU 71 CO 0.01 0.82 -0.60 -0.07 0.09 0.00 0.00 178.44 178.68 2c3t h LEU 72 N 1.27 0.67 -0.40 1.67 3.38 -1.40 -1.92 115.31 118.58 2c3t h LEU 72 Ca 0.34 -0.38 -0.06 0.00 0.09 0.00 0.00 57.88 57.87 2c3t h LEU 72 Cb -0.10 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 40.44 2c3t h LEU 72 CO -0.07 1.12 0.03 0.22 0.09 0.00 0.00 178.44 179.83 2c3t h TYR 73 N 0.44 0.74 -0.09 1.13 5.03 -0.84 -1.82 116.97 121.55 2c3t h TYR 73 Ca -0.00 -0.11 -0.09 0.00 2.58 0.00 0.00 58.73 61.10 2c3t h TYR 73 Cb 1.17 -0.20 -0.01 0.00 1.55 0.00 0.00 36.73 39.24 2c3t h TYR 73 CO 0.05 0.74 -0.36 -0.07 -1.32 0.00 0.00 178.16 177.20 2c3t h LEU 74 N 0.52 0.19 -0.27 2.82 3.38 -1.05 0.24 115.31 121.14 2c3t h LEU 74 Ca 0.12 -0.07 -0.03 0.00 0.09 0.00 0.00 57.88 57.99 2c3t h LEU 74 Cb 0.42 -0.05 -0.01 0.00 0.09 0.00 0.00 40.66 41.11 2c3t h LEU 74 CO 0.01 0.54 0.05 0.74 0.09 0.00 0.00 178.44 179.88 2c3t h THR 75 N 0.16 1.22 0.05 0.22 2.02 -1.15 -1.64 112.91 113.80 2c3t h THR 75 Ca 0.02 -0.76 -0.08 0.00 0.77 0.00 0.00 66.41 66.36 2c3t h THR 75 Cb 0.71 1.20 0.01 0.00 -1.74 0.00 0.00 68.15 68.33 2c3t h THR 75 CO 0.05 0.24 -0.35 0.03 0.37 0.00 0.00 175.52 175.87 2c3t h ARG 76 N 0.26 0.15 -0.21 6.66 3.08 -1.19 -2.89 114.38 120.25 2c3t h ARG 76 Ca 0.08 -0.22 0.00 0.00 0.07 0.00 0.00 59.98 59.91 2c3t h ARG 76 Cb 0.32 0.08 -0.01 0.00 0.08 0.00 0.00 29.97 30.43 2c3t h ARG 76 CO 0.00 1.07 0.13 -0.22 -1.07 0.00 0.00 179.97 179.89 2c3t h LYS 77 N -0.66 0.26 -0.64 0.04 1.63 -0.61 -3.06 116.57 113.52 2c3t h LYS 77 Ca -0.06 -0.02 -0.07 0.00 -0.85 0.00 0.00 60.65 59.66 2c3t h LYS 77 Cb 1.23 -0.06 -0.04 0.00 -0.60 0.00 0.00 32.23 32.76 2c3t h LYS 77 CO 0.07 0.17 0.09 0.66 -3.45 0.00 0.00 179.45 176.99 2c3t n TYR 78 N -4.96 2.23 -3.16 1.91 4.02 -0.62 -4.98 117.16 111.60 2c3t n TYR 78 Ca -0.03 -0.88 -0.06 0.00 -0.01 0.00 0.00 57.90 56.92 2c3t n TYR 78 Cb 0.03 -0.57 0.00 0.00 -0.02 0.00 0.00 39.34 38.78 2c3t n TYR 78 CO 0.00 0.00 0.00 0.36 -1.01 0.00 0.00 176.86 176.21 2c3t n LYS 79 N 0.39 -0.53 -1.54 -0.72 2.85 -1.10 -4.94 118.16 112.56 2c3t n LYS 79 Ca 0.32 -0.08 -0.29 0.00 -1.05 0.00 0.00 58.31 57.21 2c3t n LYS 79 Cb 1.27 -0.13 0.16 0.00 -0.65 0.00 0.00 35.03 35.68 2c3t n LYS 79 CO 0.00 0.00 0.00 0.14 -0.05 0.00 0.00 177.40 177.49 2c3t s VAL 80 N -3.18 1.94 0.22 0.58 -7.23 -1.13 -4.95 120.40 106.65 2c3t s VAL 80 Ca 0.04 0.00 -0.32 0.00 -1.81 0.00 0.00 61.98 59.89 2c3t s VAL 80 Cb -0.02 -2.76 -0.14 0.00 0.56 0.00 0.00 36.38 34.02 2c3t s VAL 80 CO 0.17 0.00 1.36 -2.65 -0.31 0.00 0.00 175.10 173.68 2c3t n PRO 81 N -3.90 1.83 0.09 4.82 -0.02 -1.26 -4.87 135.00 131.68 2c3t n PRO 81 Ca 0.09 0.65 0.08 0.00 -2.02 0.00 0.00 63.50 62.30 2c3t n PRO 81 Cb 0.59 -2.28 0.37 0.00 -0.02 0.00 0.00 33.50 32.17 2c3t n PRO 81 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 2c3t n ASP 82 N 2.21 0.36 0.27 2.55 8.00 -1.26 -2.70 116.55 125.97 2c3t n ASP 82 Ca 0.13 0.63 0.12 0.00 0.71 0.00 0.00 54.79 56.39 2c3t n ASP 82 Cb 0.29 -0.69 0.74 0.00 -0.02 0.00 0.00 41.12 41.44 2c3t n ASP 82 CO 0.00 0.00 0.00 0.10 -0.39 0.00 0.00 177.20 176.91 2c3t h TYR 83 N 0.00 0.00 -0.74 1.24 -0.00 -1.89 -0.78 116.97 114.80 2c3t h TYR 83 Ca 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 58.73 58.69 2c3t h TYR 83 Cb 0.12 0.00 -0.03 0.00 0.00 0.00 0.00 36.73 36.82 2c3t h TYR 83 CO 0.00 0.10 0.32 -1.49 -0.00 0.00 0.00 178.16 177.09 2c3t h TRP 84 N 0.00 1.11 -2.00 0.10 4.06 -1.71 -3.37 115.95 114.14 2c3t h TRP 84 Ca -0.00 -0.07 -0.43 0.00 2.06 0.00 0.00 58.89 60.44 2c3t h TRP 84 Cb 0.27 -0.34 -0.32 0.00 -1.00 0.00 0.00 29.16 27.78 2c3t h TRP 84 CO 0.00 0.84 -0.77 -0.47 -3.56 0.00 0.00 178.44 174.48 2c3t s TYR 85 N -5.60 0.06 0.57 0.49 5.04 -1.00 -1.37 117.35 115.54 2c3t s TYR 85 Ca -0.13 -1.37 -0.19 0.00 -2.44 0.00 0.00 57.07 52.94 2c3t s TYR 85 Cb 0.15 -0.51 -0.06 0.00 0.35 0.00 0.00 41.96 41.89 2c3t s TYR 85 CO 0.82 -0.96 0.94 -2.30 -1.34 0.00 0.00 175.55 172.72 2c3t n PRO 86 N 3.55 0.96 0.04 4.97 -0.02 -0.33 -4.85 135.00 139.33 2c3t n PRO 86 Ca 0.19 0.37 -0.07 0.00 -2.02 0.00 0.00 63.50 61.96 2c3t n PRO 86 Cb 0.47 -2.12 0.09 0.00 -0.02 0.00 0.00 33.50 31.92 2c3t n PRO 86 CO 0.00 0.00 0.00 1.96 1.98 0.00 0.00 175.50 179.44 2c3t h GLN 87 N 0.67 0.41 -6.32 -0.52 4.20 -1.98 -3.37 115.11 108.19 2c3t h GLN 87 Ca -0.48 -0.26 -0.66 0.00 0.06 0.00 0.00 58.65 57.31 2c3t h GLN 87 Cb 1.36 0.03 0.05 0.00 0.30 0.00 0.00 27.48 29.22 2c3t h GLN 87 CO 0.52 0.87 0.64 -3.47 -0.67 0.00 0.00 178.83 176.71 2c3t n ASP 88 N -3.92 2.24 -0.21 1.46 2.03 -1.26 -4.87 116.55 112.02 2c3t n ASP 88 Ca -0.03 1.09 -0.04 0.00 0.52 0.00 0.00 54.79 56.34 2c3t n ASP 88 Cb 0.61 -1.26 0.14 0.00 -0.72 0.00 0.00 41.12 39.89 2c3t n ASP 88 CO 0.00 0.00 0.00 -0.07 -1.92 0.00 0.00 177.20 175.21 2c3t h LEU 89 N 5.54 0.93 -0.28 -2.67 3.38 -1.99 -1.52 115.31 118.69 2c3t h LEU 89 Ca -0.47 -0.14 -0.20 0.00 0.09 0.00 0.00 57.88 57.16 2c3t h LEU 89 Cb 1.31 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 41.81 2c3t h LEU 89 CO 0.84 0.84 -0.87 1.56 0.09 0.00 0.00 178.44 180.90 2c3t h GLN 90 N 0.98 0.22 -0.13 1.13 4.20 -1.95 -0.71 115.11 118.85 2c3t h GLN 90 Ca 0.22 -0.24 -0.17 0.00 0.06 0.00 0.00 58.65 58.53 2c3t h GLN 90 Cb 0.22 0.07 -0.01 0.00 0.30 0.00 0.00 27.48 28.06 2c3t h GLN 90 CO -0.02 0.96 -0.62 0.00 -0.67 0.00 0.00 178.83 178.49 2c3t h ALA 91 N 0.95 0.69 -0.27 3.87 0.00 -1.88 -1.61 119.26 121.01 2c3t h ALA 91 Ca -0.05 -0.55 -0.14 0.00 0.00 0.00 0.00 54.91 54.17 2c3t h ALA 91 Cb 1.50 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 19.20 2c3t h ALA 91 CO 0.14 0.71 -0.42 -0.09 0.00 0.00 0.00 179.25 179.59 2c3t h ARG 92 N 0.34 0.66 -0.53 0.00 2.43 -1.24 -2.48 114.38 113.56 2c3t h ARG 92 Ca -0.01 -0.35 -0.05 0.00 -0.81 0.00 0.00 59.98 58.76 2c3t h ARG 92 Cb 1.16 0.01 -0.02 0.00 -0.42 0.00 0.00 29.97 30.70 2c3t h ARG 92 CO 0.11 0.96 0.12 0.00 -1.51 0.00 0.00 179.97 179.64 2c3t h ALA 93 N 1.00 1.22 -0.23 2.80 0.00 -0.85 -0.37 119.26 122.83 2c3t h ALA 93 Ca 0.04 -0.20 -0.08 0.00 0.00 0.00 0.00 54.91 54.67 2c3t h ALA 93 Cb 0.95 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.51 2c3t h ALA 93 CO 0.09 0.54 -0.21 0.00 0.00 0.00 0.00 179.25 179.66 2c3t h ARG 94 N 0.78 0.41 -0.08 0.00 3.08 -0.95 0.55 114.38 118.18 2c3t h ARG 94 Ca 0.17 -0.14 -0.06 0.00 0.07 0.00 0.00 59.98 60.02 2c3t h ARG 94 Cb 0.30 -0.03 0.00 0.00 0.08 0.00 0.00 29.97 30.32 2c3t h ARG 94 CO -0.00 0.60 -0.19 0.28 -1.07 0.00 0.00 179.97 179.59 2c3t h VAL 95 N 0.37 1.42 -0.85 2.04 2.07 -0.91 -2.55 116.25 117.84 2c3t h VAL 95 Ca 0.06 -1.53 0.04 0.00 0.82 0.00 0.00 66.70 66.09 2c3t h VAL 95 Cb 0.58 2.22 -0.05 0.00 -1.52 0.00 0.00 31.29 32.52 2c3t h VAL 95 CO 0.04 0.43 0.56 0.44 0.02 0.00 0.00 177.57 179.06 2c3t h ASP 96 N -0.22 0.89 -0.31 0.57 3.32 -0.93 -0.95 116.42 118.80 2c3t h ASP 96 Ca -0.00 -0.01 -0.02 0.00 0.02 0.00 0.00 57.03 57.02 2c3t h ASP 96 Cb 0.80 -0.20 -0.01 0.00 0.22 0.00 0.00 39.33 40.13 2c3t h ASP 96 CO 0.04 0.60 0.12 -0.08 -1.72 0.00 0.00 179.24 178.21 2c3t h GLU 97 N 1.03 0.46 -0.23 3.56 4.81 -0.85 -1.39 114.58 121.96 2c3t h GLU 97 Ca 0.34 -0.08 -0.06 0.00 -0.13 0.00 0.00 59.36 59.43 2c3t h GLU 97 Cb 0.07 -0.07 -0.01 0.00 0.63 0.00 0.00 28.75 29.37 2c3t h GLU 97 CO -0.11 0.46 -0.08 -0.92 -0.73 0.00 0.00 179.01 177.64 2c3t h TYR 98 N 0.35 0.53 -0.70 0.92 3.20 -1.05 -1.70 116.97 118.53 2c3t h TYR 98 Ca 0.10 -0.12 0.01 0.00 3.14 0.00 0.00 58.73 61.86 2c3t h TYR 98 Cb 0.18 -0.13 -0.04 0.00 1.54 0.00 0.00 36.73 38.29 2c3t h TYR 98 CO -0.01 0.72 0.46 -0.07 -1.64 0.00 0.00 178.16 177.62 2c3t h LEU 99 N 0.19 0.80 -0.28 2.82 3.38 -1.15 -0.90 115.31 120.17 2c3t h LEU 99 Ca 0.06 -0.02 -0.20 0.00 0.09 0.00 0.00 57.88 57.81 2c3t h LEU 99 Cb 0.56 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 41.10 2c3t h LEU 99 CO 0.03 0.57 -0.88 0.00 0.09 0.00 0.00 178.44 178.25 2c3t h ALA 100 N 1.57 0.51 -0.03 1.53 0.00 -1.22 -3.34 119.26 118.27 2c3t h ALA 100 Ca 0.26 -0.72 -0.19 0.00 0.00 0.00 0.00 54.91 54.26 2c3t h ALA 100 Cb -0.10 -0.07 0.01 0.00 0.00 0.00 0.00 17.79 17.64 2c3t h ALA 100 CO -0.06 0.90 -0.71 2.35 0.00 0.00 0.00 179.25 181.73 2c3t h TRP 101 N 0.12 0.77 -0.02 0.00 7.01 -0.75 -3.34 115.95 119.75 2c3t h TRP 101 Ca -0.05 -0.40 0.00 0.00 2.11 0.00 0.00 58.89 60.56 2c3t h TRP 101 Cb 1.51 -0.10 -0.00 0.00 -2.10 0.00 0.00 29.16 28.47 2c3t h TRP 101 CO 0.03 1.22 0.02 -0.56 -2.79 0.00 0.00 178.44 176.36 2c3t h GLN 102 N 0.11 0.00 -0.41 2.65 -0.00 -1.31 -3.23 115.11 112.92 2c3t h GLN 102 Ca -0.08 0.00 0.06 0.00 -0.00 0.00 0.00 58.65 58.63 2c3t h GLN 102 Cb 1.39 0.00 -0.06 0.00 -0.00 0.00 0.00 27.48 28.81 2c3t h GLN 102 CO 0.14 0.00 0.08 0.45 -0.00 0.00 0.00 178.83 179.50 2c3t h HIS 103 N 0.00 0.13 -0.02 0.06 3.86 -1.72 0.23 115.15 117.70 2c3t h HIS 103 Ca 0.01 0.03 0.00 0.00 -1.16 0.00 0.00 60.37 59.24 2c3t h HIS 103 Cb 0.05 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.52 2c3t h HIS 103 CO 0.00 0.01 -0.40 0.25 0.86 0.00 0.00 177.93 178.65 2c3t n THR 104 N -5.10 0.00 0.00 2.45 -2.24 -1.23 -4.25 114.28 103.91 2c3t n THR 104 Ca 0.03 -0.28 0.00 0.00 -2.27 0.00 0.00 64.05 61.53 2c3t n THR 104 Cb 0.19 1.24 0.00 0.00 -2.10 0.00 0.00 70.33 69.66 2c3t n THR 104 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 2c3t n THR 105 N 0.12 0.00 -0.25 4.28 -2.24 -1.17 -4.68 114.28 110.34 2c3t n THR 105 Ca 0.10 0.00 0.02 0.00 -2.27 0.00 0.00 64.05 61.90 2c3t n THR 105 Cb 0.48 -0.13 0.24 0.00 -2.10 0.00 0.00 70.33 68.82 2c3t n THR 105 CO 0.00 0.00 0.00 0.25 -0.57 0.00 0.00 175.07 174.75 2c3t h LEU 106 N 0.00 0.89 -0.81 3.22 5.85 -1.80 -0.99 115.31 121.67 2c3t h LEU 106 Ca 0.00 -0.01 -0.06 0.00 0.84 0.00 0.00 57.88 58.64 2c3t h LEU 106 Cb 0.00 -0.21 -0.03 0.00 0.37 0.00 0.00 40.66 40.79 2c3t h LEU 106 CO 0.00 0.62 0.18 -0.09 -0.34 0.00 0.00 178.44 178.81 2c3t h ARG 107 N 1.04 1.07 -0.24 1.25 2.43 -1.20 -1.75 114.38 116.98 2c3t h ARG 107 Ca 0.32 -0.24 -0.18 0.00 -0.81 0.00 0.00 59.98 59.06 2c3t h ARG 107 Cb -0.02 -0.15 0.00 0.00 -0.42 0.00 0.00 29.97 29.39 2c3t h ARG 107 CO -0.09 0.94 -0.55 -0.09 -1.51 0.00 0.00 179.97 178.67 2c3t h ARG 108 N 1.02 0.80 -0.05 0.20 2.43 -1.59 -2.31 114.38 114.88 2c3t h ARG 108 Ca 0.22 -0.54 -0.01 0.00 -0.81 0.00 0.00 59.98 58.84 2c3t h ARG 108 Cb 0.34 0.08 -0.00 0.00 -0.42 0.00 0.00 29.97 29.96 2c3t h ARG 108 CO -0.00 1.17 0.01 0.77 -1.51 0.00 0.00 179.97 180.40 2c3t h SER 109 N 0.56 0.08 0.28 -3.80 0.02 -1.05 -0.99 113.55 108.64 2c3t h SER 109 Ca 0.00 -0.27 -0.04 0.00 -0.84 0.00 0.00 61.79 60.65 2c3t h SER 109 Cb 1.17 -0.02 -0.01 0.00 0.14 0.00 0.00 62.40 63.68 2c3t h SER 109 CO 0.12 0.33 -0.17 0.00 -1.14 0.00 0.00 176.83 175.97 2c3t h LEU 111 N 0.00 0.59 -1.15 0.00 5.85 -1.22 -3.06 115.31 116.32 2c3t h LEU 111 Ca -0.00 -0.85 -0.06 0.00 0.84 0.00 0.00 57.88 57.81 2c3t h LEU 111 Cb 0.35 -0.19 -0.01 0.00 0.37 0.00 0.00 40.66 41.19 2c3t h LEU 111 CO 0.02 1.38 -0.27 0.03 -0.34 0.00 0.00 178.44 179.26 2c3t h ARG 112 N -0.12 0.00 -0.16 1.25 3.08 -1.02 -2.87 114.38 114.54 2c3t h ARG 112 Ca -0.13 0.00 -0.05 0.00 0.07 0.00 0.00 59.98 59.87 2c3t h ARG 112 Cb 1.58 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 31.62 2c3t h ARG 112 CO 0.16 0.27 -0.09 0.00 -1.07 0.00 0.00 179.97 179.24 2c3t h ALA 113 N 1.73 0.23 -0.35 0.04 0.00 -1.27 -0.50 119.26 119.14 2c3t h ALA 113 Ca -0.00 -0.28 -0.00 0.00 0.00 0.00 0.00 54.91 54.62 2c3t h ALA 113 Cb 0.75 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.47 2c3t h ALA 113 CO 0.03 0.05 0.21 1.25 0.00 0.00 0.00 179.25 180.79 2c3t h LEU 114 N 0.01 0.42 -0.08 0.00 5.85 -1.44 -1.85 115.31 118.23 2c3t h LEU 114 Ca 0.03 -0.06 -0.10 0.00 0.84 0.00 0.00 57.88 58.60 2c3t h LEU 114 Cb 0.58 -0.11 0.00 0.00 0.37 0.00 0.00 40.66 41.51 2c3t h LEU 114 CO 0.03 0.35 -0.34 -0.50 -0.34 0.00 0.00 178.44 177.64 2c3t h TRP 115 N 0.45 0.49 -0.16 1.25 4.06 -1.54 -0.04 115.95 120.46 2c3t h TRP 115 Ca 0.12 -0.21 -0.16 0.00 2.06 0.00 0.00 58.89 60.70 2c3t h TRP 115 Cb 0.01 -0.08 -0.01 0.00 -1.00 0.00 0.00 29.16 28.09 2c3t h TRP 115 CO -0.04 0.95 -0.57 0.45 -3.56 0.00 0.00 178.44 175.68 2c3t h HIS 116 N -0.11 0.64 0.01 0.49 3.86 -1.14 -0.47 115.15 118.43 2c3t h HIS 116 Ca -0.02 -0.23 -0.00 0.00 -1.16 0.00 0.00 60.37 58.96 2c3t h HIS 116 Cb 0.99 -0.12 0.00 0.00 1.06 0.00 0.00 27.41 29.34 2c3t h HIS 116 CO 0.13 0.95 -0.00 -0.22 0.86 0.00 0.00 177.93 179.64 2c3t h LYS 117 N 0.38 -0.01 0.00 2.45 1.63 -1.43 -3.44 116.57 116.15 2c3t h LYS 117 Ca 0.00 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.80 2c3t h LYS 117 Cb 1.11 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.74 2c3t h LYS 117 CO 0.10 0.81 -0.02 0.28 -3.45 0.00 0.00 179.45 177.17 2c3t n VAL 118 N -4.69 1.05 -0.21 2.00 0.31 -0.18 -4.80 118.33 111.81 2c3t n VAL 118 Ca -0.09 0.34 0.01 0.00 -0.01 0.00 0.00 64.34 64.59 2c3t n VAL 118 Cb 0.40 -1.52 0.10 0.00 -0.91 0.00 0.00 33.84 31.92 2c3t n VAL 118 CO 0.00 0.00 0.00 0.24 -1.32 0.00 0.00 176.83 175.75 2c3t h MET 119 N -0.02 0.11 0.59 5.55 2.86 -1.17 -0.45 114.93 122.39 2c3t h MET 119 Ca 0.00 -0.01 -0.03 0.00 -2.06 0.00 0.00 59.70 57.60 2c3t h MET 119 Cb 0.02 -0.02 0.01 0.00 0.06 0.00 0.00 31.60 31.67 2c3t h MET 119 CO 0.00 0.07 -0.29 0.74 1.06 0.00 0.00 176.91 178.50 2c3t h PHE 120 N 0.11 -0.74 0.31 -0.22 -1.00 -1.33 -0.26 116.94 113.81 2c3t h PHE 120 Ca 0.33 -0.02 0.00 0.00 2.81 0.00 0.00 57.97 61.09 2c3t h PHE 120 Cb 0.53 0.24 -0.02 0.00 3.61 0.00 0.00 35.95 40.31 2c3t h PHE 120 CO -0.38 -0.46 -0.34 -1.35 -1.61 0.00 0.00 178.31 174.17 2c3t h PRO 121 N -0.80 -0.66 0.23 1.51 0.11 -1.30 0.39 132.00 131.48 2c3t h PRO 121 Ca -0.08 0.05 -0.01 0.00 0.11 0.00 0.00 66.00 66.06 2c3t h PRO 121 Cb 0.61 0.15 0.00 0.00 0.11 0.00 0.00 31.00 31.87 2c3t h PRO 121 CO 0.13 -0.44 -0.11 0.28 -0.21 0.00 0.00 178.00 177.65 2c3t h VAL 122 N -0.69 0.00 -0.25 3.15 2.07 -1.22 -2.96 116.25 116.35 2c3t h VAL 122 Ca -0.01 -0.28 -0.15 0.00 0.82 0.00 0.00 66.70 67.08 2c3t h VAL 122 Cb 0.63 0.00 -0.00 0.00 -1.52 0.00 0.00 31.29 30.40 2c3t h VAL 122 CO -0.08 0.00 -0.42 0.15 0.02 0.00 0.00 177.57 177.24 2c3t h PHE 123 N -0.59 0.90 -0.40 1.57 3.57 -1.45 -3.34 116.94 117.20 2c3t h PHE 123 Ca -0.03 -0.31 0.00 0.00 3.53 0.00 0.00 57.97 61.15 2c3t h PHE 123 Cb 0.24 -0.17 0.00 0.00 2.79 0.00 0.00 35.95 38.81 2c3t h PHE 123 CO 0.05 1.09 0.00 1.28 -2.23 0.00 0.00 178.31 178.50 2c3t n LEU 124 N -4.17 3.29 -1.45 0.59 4.77 -0.19 -1.25 117.00 118.58 2c3t n LEU 124 Ca -0.05 -1.61 -0.17 0.00 -0.03 0.00 0.00 56.01 54.15 2c3t n LEU 124 Cb 0.55 -0.26 -0.07 0.00 -2.33 0.00 0.00 43.42 41.31 2c3t n LEU 124 CO 0.47 0.74 -0.16 0.61 -1.33 0.00 0.00 177.39 177.72 2c3t n GLY 125 N 1.26 1.63 3.38 -0.72 0.00 0.02 -4.93 105.19 105.83 2c3t n GLY 125 Ca 0.17 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.80 2c3t n GLY 125 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2c3t s GLU 126 N -3.44 2.97 0.53 1.61 0.41 -0.59 -4.92 118.70 115.26 2c3t s GLU 126 Ca 0.00 -0.97 -0.20 0.00 -0.41 0.00 0.00 54.97 53.39 2c3t s GLU 126 Cb 0.00 -3.61 -0.07 0.00 -1.78 0.00 0.00 34.13 28.67 2c3t s GLU 126 CO 0.00 -0.59 1.10 -2.14 -0.49 0.00 0.00 175.26 173.14 2c3t s PRO 127 N 1.55 3.50 -0.13 0.39 0.02 -1.26 -1.89 135.00 137.17 2c3t s PRO 127 Ca 0.02 1.53 -0.00 0.00 0.02 0.00 0.00 61.00 62.57 2c3t s PRO 127 Cb -0.18 -2.03 -0.02 0.00 0.02 0.00 0.00 34.50 32.29 2c3t s PRO 127 CO 0.06 -0.72 -0.12 0.08 -0.33 0.00 0.00 177.00 175.97 2c3t s VAL 128 N -1.83 3.12 0.37 3.83 1.01 -1.26 -4.94 120.40 120.70 2c3t s VAL 128 Ca 0.71 -0.64 -0.28 0.00 0.00 0.00 0.00 61.98 61.77 2c3t s VAL 128 Cb -0.22 -2.31 -0.10 0.00 0.00 0.00 0.00 36.38 33.75 2c3t s VAL 128 CO 0.25 0.52 1.41 -0.94 0.00 0.00 0.00 175.10 176.34 2c3t s SER 129 N 0.32 6.45 0.57 3.32 1.04 -1.26 -4.82 113.70 119.32 2c3t s SER 129 Ca -0.10 2.89 0.26 0.00 0.48 0.00 0.00 55.95 59.49 2c3t s SER 129 Cb -0.16 -2.66 1.60 0.00 0.10 0.00 0.00 66.02 64.90 2c3t s SER 129 CO 0.05 -0.78 2.14 -0.65 0.98 0.00 0.00 173.24 174.99 2c3t h PRO 130 N 3.05 0.00 -0.52 4.02 0.11 -1.99 -0.50 132.00 136.18 2c3t h PRO 130 Ca -0.50 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 65.59 2c3t h PRO 130 Cb 1.24 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.32 2c3t h PRO 130 CO 0.64 0.00 0.25 1.96 -0.21 0.00 0.00 178.00 180.64 2c3t h GLN 131 N 0.00 0.75 -0.04 1.05 1.08 -1.99 0.42 115.11 116.37 2c3t h GLN 131 Ca 0.06 -0.11 -0.03 0.00 -1.45 0.00 0.00 58.65 57.12 2c3t h GLN 131 Cb 0.31 -0.13 0.00 0.00 -0.05 0.00 0.00 27.48 27.60 2c3t h GLN 131 CO -0.00 0.62 -0.08 1.15 -0.95 0.00 0.00 178.83 179.56 2c3t h THR 132 N 0.69 1.44 -0.55 -0.54 2.02 -1.49 -2.63 112.91 111.84 2c3t h THR 132 Ca 0.18 -1.42 0.02 0.00 0.77 0.00 0.00 66.41 65.96 2c3t h THR 132 Cb 0.12 2.29 -0.03 0.00 -1.74 0.00 0.00 68.15 68.78 2c3t h THR 132 CO -0.02 0.39 0.34 0.25 0.37 0.00 0.00 175.52 176.84 2c3t h LEU 133 N -0.40 0.56 -0.59 2.58 5.85 -1.24 0.30 115.31 122.37 2c3t h LEU 133 Ca 0.00 0.00 0.03 0.00 0.84 0.00 0.00 57.88 58.75 2c3t h LEU 133 Cb 0.67 -0.12 -0.04 0.00 0.37 0.00 0.00 40.66 41.54 2c3t h LEU 133 CO 0.02 0.39 0.35 0.00 -0.34 0.00 0.00 178.44 178.86 2c3t h ALA 134 N 1.24 0.76 -0.46 1.25 0.00 -0.96 0.20 119.26 121.28 2c3t h ALA 134 Ca 0.22 -0.01 -0.05 0.00 0.00 0.00 0.00 54.91 55.07 2c3t h ALA 134 Cb 0.01 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.61 2c3t h ALA 134 CO -0.09 0.07 0.11 0.00 0.00 0.00 0.00 179.25 179.34 2c3t h ALA 135 N 1.26 0.60 -0.26 0.00 0.00 -1.04 -1.25 119.26 118.59 2c3t h ALA 135 Ca 0.24 -0.20 -0.05 0.00 0.00 0.00 0.00 54.91 54.89 2c3t h ALA 135 Cb 0.04 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.64 2c3t h ALA 135 CO -0.11 0.29 -0.07 1.15 0.00 0.00 0.00 179.25 180.50 2c3t h THR 136 N 0.61 1.20 0.00 0.00 2.02 0.35 -1.46 112.91 115.62 2c3t h THR 136 Ca 0.14 -0.83 -0.05 0.00 0.77 0.00 0.00 66.41 66.44 2c3t h THR 136 Cb 0.33 1.09 -0.01 0.00 -1.74 0.00 0.00 68.15 67.82 2c3t h THR 136 CO 0.00 0.27 -0.39 -0.07 0.37 0.00 0.00 175.52 175.70 2c3t h LEU 137 N 0.39 0.00 0.07 2.58 3.38 -0.47 -2.99 115.31 118.27 2c3t h LEU 137 Ca 0.08 0.00 -0.28 0.00 0.09 0.00 0.00 57.88 57.77 2c3t h LEU 137 Cb 0.38 0.00 0.03 0.00 0.09 0.00 0.00 40.66 41.15 2c3t h LEU 137 CO 0.02 0.23 -1.14 0.00 0.09 0.00 0.00 178.44 177.64 2c3t h ALA 138 N 1.77 0.05 -0.45 1.53 0.00 -0.64 -2.99 119.26 118.53 2c3t h ALA 138 Ca -0.01 -0.73 -0.08 0.00 0.00 0.00 0.00 54.91 54.08 2c3t h ALA 138 Cb 1.19 0.09 -0.02 0.00 0.00 0.00 0.00 17.79 19.05 2c3t h ALA 138 CO 0.03 0.67 -0.07 1.05 0.00 0.00 0.00 179.25 180.93 2c3t h GLU 139 N 0.30 0.78 -0.64 0.00 4.11 -1.35 -2.15 114.58 115.63 2c3t h GLU 139 Ca -0.16 -0.24 0.00 0.00 0.07 0.00 0.00 59.36 59.03 2c3t h GLU 139 Cb 1.81 -0.08 -0.03 0.00 0.50 0.00 0.00 28.75 30.95 2c3t h GLU 139 CO 0.22 0.83 0.40 1.25 0.07 0.00 0.00 179.01 181.79 2c3t h LEU 140 N 0.72 0.76 -0.93 3.06 5.85 -1.57 -1.46 115.31 121.73 2c3t h LEU 140 Ca 0.13 -0.04 -0.03 0.00 0.84 0.00 0.00 57.88 58.77 2c3t h LEU 140 Cb 0.53 -0.19 -0.04 0.00 0.37 0.00 0.00 40.66 41.34 2c3t h LEU 140 CO 0.03 0.58 0.35 -0.78 -0.34 0.00 0.00 178.44 178.27 2c3t h ASP 141 N 0.87 1.02 -0.61 1.25 1.82 -1.33 -0.17 116.42 119.27 2c3t h ASP 141 Ca 0.23 -0.13 -0.07 0.00 -0.39 0.00 0.00 57.03 56.67 2c3t h ASP 141 Cb -0.05 -0.26 -0.02 0.00 0.68 0.00 0.00 39.33 39.67 2c3t h ASP 141 CO -0.05 0.87 0.10 0.58 -1.61 0.00 0.00 179.24 179.14 2c3t h VAL 142 N 1.10 1.26 -0.04 2.25 2.07 -0.68 -1.47 116.25 120.73 2c3t h VAL 142 Ca 0.26 -0.99 -0.16 0.00 0.82 0.00 0.00 66.70 66.63 2c3t h VAL 142 Cb 0.15 0.72 -0.01 0.00 -1.52 0.00 0.00 31.29 30.63 2c3t h VAL 142 CO -0.03 0.37 -0.68 0.71 0.02 0.00 0.00 177.57 177.95 2c3t h THR 143 N 0.91 1.42 -0.20 2.57 1.35 -0.76 -2.11 112.91 116.09 2c3t h THR 143 Ca 0.18 -2.18 -0.07 0.00 -0.55 0.00 0.00 66.41 63.80 2c3t h THR 143 Cb 0.42 2.15 -0.01 0.00 -1.73 0.00 0.00 68.15 68.97 2c3t h THR 143 CO 0.01 0.64 -0.16 -0.07 -0.25 0.00 0.00 175.52 175.69 2c3t h LEU 144 N 0.14 0.33 -0.40 3.87 3.38 -0.77 0.15 115.31 122.01 2c3t h LEU 144 Ca -0.02 -0.08 -0.13 0.00 0.09 0.00 0.00 57.88 57.74 2c3t h LEU 144 Cb 1.22 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 41.88 2c3t h LEU 144 CO 0.10 0.52 -0.27 -0.61 0.09 0.00 0.00 178.44 178.27 2c3t h GLN 145 N 0.32 0.90 -0.28 1.13 5.75 -1.05 -2.87 115.11 119.00 2c3t h GLN 145 Ca 0.06 -0.42 -0.08 0.00 -0.15 0.00 0.00 58.65 58.05 2c3t h GLN 145 Cb 0.48 -0.01 -0.02 0.00 1.07 0.00 0.00 27.48 29.00 2c3t h GLN 145 CO 0.03 1.07 -0.18 -0.07 -2.65 0.00 0.00 178.83 177.04 2c3t h LEU 146 N 0.71 0.49 -0.99 -2.39 3.38 -0.60 0.39 115.31 116.30 2c3t h LEU 146 Ca 0.08 -0.14 0.04 0.00 0.09 0.00 0.00 57.88 57.95 2c3t h LEU 146 Cb 0.85 -0.13 -0.06 0.00 0.09 0.00 0.00 40.66 41.40 2c3t h LEU 146 CO 0.07 0.69 0.65 0.25 0.09 0.00 0.00 178.44 180.19 2c3t h LEU 147 N 0.45 1.07 0.11 1.67 5.85 -0.54 -0.04 115.31 123.88 2c3t h LEU 147 Ca 0.08 -0.01 -0.01 0.00 0.84 0.00 0.00 57.88 58.78 2c3t h LEU 147 Cb 0.57 -0.24 0.00 0.00 0.37 0.00 0.00 40.66 41.36 2c3t h LEU 147 CO 0.04 0.73 -0.05 -0.33 -0.34 0.00 0.00 178.44 178.49 2c3t h GLU 148 N 1.24 -0.14 -0.78 1.25 5.08 -1.24 -0.45 114.58 119.55 2c3t h GLU 148 Ca 0.40 0.01 -0.04 0.00 -1.00 0.00 0.00 59.36 58.72 2c3t h GLU 148 Cb 0.01 0.03 -0.03 0.00 0.50 0.00 0.00 28.75 29.26 2c3t h GLU 148 CO -0.13 0.27 0.32 -0.44 -1.00 0.00 0.00 179.01 178.03 2c3t h ASP 149 N -0.95 1.06 0.13 1.42 3.32 -0.92 0.38 116.42 120.86 2c3t h ASP 149 Ca -0.01 -0.17 -0.36 0.00 0.02 0.00 0.00 57.03 56.50 2c3t h ASP 149 Cb 0.47 -0.28 -0.02 0.00 0.22 0.00 0.00 39.33 39.72 2c3t h ASP 149 CO 0.02 0.94 -2.02 1.17 -1.72 0.00 0.00 179.24 177.63 2c3t n LYS 150 N -4.31 0.75 0.00 3.56 3.00 -0.03 -4.73 118.16 116.39 2c3t n LYS 150 Ca 0.07 0.25 0.00 0.00 -0.00 0.00 0.00 58.31 58.63 2c3t n LYS 150 Cb 0.18 -1.70 0.00 0.00 0.00 0.00 0.00 35.03 33.51 2c3t n LYS 150 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.40 178.59 2c3t n PHE 151 N -3.45 0.00 0.10 5.64 3.72 -1.04 -4.87 117.46 117.56 2c3t n PHE 151 Ca -0.32 0.00 -0.15 0.00 -0.05 0.00 0.00 57.45 56.93 2c3t n PHE 151 Cb 1.04 0.00 -0.09 0.00 -0.94 0.00 0.00 39.48 39.49 2c3t n PHE 151 CO 0.00 0.00 0.00 1.25 -0.05 0.00 0.00 176.76 177.96 2c3t h LEU 152 N 0.00 -1.45 0.00 4.37 5.85 -1.15 -3.44 115.31 119.49 2c3t h LEU 152 Ca 0.00 0.15 0.00 0.00 0.84 0.00 0.00 57.88 58.87 2c3t h LEU 152 Cb 0.00 0.54 0.00 0.00 0.37 0.00 0.00 40.66 41.57 2c3t h LEU 152 CO 0.00 -0.51 0.00 0.00 -0.34 0.00 0.00 178.44 177.59 2c3t n GLN 153 N -5.18 0.00 -0.92 1.25 6.02 0.13 -2.17 117.38 116.51 2c3t n GLN 153 Ca -0.08 0.00 -0.00 0.00 -0.01 0.00 0.00 57.00 56.91 2c3t n GLN 153 Cb 0.37 0.00 0.33 0.00 1.02 0.00 0.00 30.24 31.96 2c3t n GLN 153 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 177.06 176.14 2c3t n ASN 154 N 3.90 4.96 -4.98 1.08 3.02 -1.26 -4.97 115.26 117.00 2c3t n ASN 154 Ca 0.00 -3.13 -0.20 0.00 -0.03 0.00 0.00 54.58 51.22 2c3t n ASN 154 Cb 0.00 -0.70 0.02 0.00 -0.61 0.00 0.00 39.78 38.48 2c3t n ASN 154 CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 2c3t s LYS 155 N -2.92 2.83 0.03 3.52 1.02 -0.92 -5.04 119.74 118.26 2c3t s LYS 155 Ca 0.53 -0.91 -0.19 0.00 0.02 0.00 0.00 55.97 55.42 2c3t s LYS 155 Cb 0.42 -2.64 -0.18 0.00 -0.52 0.00 0.00 37.83 34.91 2c3t s LYS 155 CO 0.13 -0.36 1.23 0.00 -0.92 0.00 0.00 175.35 175.44 2c3t h ALA 156 N 0.45 0.18 -1.75 5.17 0.00 -1.86 -3.47 119.26 117.98 2c3t h ALA 156 Ca -0.43 -0.45 -0.54 0.00 0.00 0.00 0.00 54.91 53.49 2c3t h ALA 156 Cb 1.28 -0.02 -0.13 0.00 0.00 0.00 0.00 17.79 18.92 2c3t h ALA 156 CO 0.51 0.27 -0.59 -0.06 0.00 0.00 0.00 179.25 179.38 2c3t s PHE 157 N -3.75 2.07 0.38 0.00 0.08 -0.43 -4.79 117.98 111.54 2c3t s PHE 157 Ca -0.14 -0.93 0.08 0.00 0.12 0.00 0.00 56.93 56.07 2c3t s PHE 157 Cb 0.05 -1.42 0.83 0.00 -0.57 0.00 0.00 43.02 41.90 2c3t s PHE 157 CO 0.80 0.10 1.96 -0.07 -0.10 0.00 0.00 175.22 177.91 2c3t h LEU 158 N 1.93 0.58 -2.81 -0.37 3.38 -1.86 -3.16 115.31 112.99 2c3t h LEU 158 Ca -0.41 0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.56 2c3t h LEU 158 Cb 1.25 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 41.89 2c3t h LEU 158 CO 0.71 0.36 0.00 0.35 0.09 0.00 0.00 178.44 179.96 2c3t n THR 159 N -4.48 0.93 -2.94 0.22 -2.24 -1.26 -4.19 114.28 100.31 2c3t n THR 159 Ca 0.11 -0.96 0.00 0.00 -2.27 0.00 0.00 64.05 60.92 2c3t n THR 159 Cb 0.27 0.55 0.00 0.00 -2.10 0.00 0.00 70.33 69.05 2c3t n THR 159 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2c3t n GLY 160 N 0.17 -0.28 0.16 3.38 0.00 -1.20 -4.95 105.19 102.47 2c3t n GLY 160 Ca 0.07 -1.35 0.13 0.00 0.00 0.00 0.00 46.02 44.88 2c3t n GLY 160 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2c3t h PRO 161 N 0.59 0.00 -6.26 1.61 0.13 -1.96 -1.13 132.00 124.97 2c3t h PRO 161 Ca 0.00 0.00 -0.61 0.00 -0.87 0.00 0.00 66.00 64.52 2c3t h PRO 161 Cb 0.00 0.00 -0.15 0.00 0.13 0.00 0.00 31.00 30.98 2c3t h PRO 161 CO 0.00 0.00 -0.77 -1.01 -0.23 0.00 0.00 178.00 175.99 2c3t s HIS 162 N -3.36 2.24 0.73 1.56 3.76 -1.26 -4.63 115.29 114.33 2c3t s HIS 162 Ca 0.04 -0.35 -0.11 0.00 -0.15 0.00 0.00 55.06 54.48 2c3t s HIS 162 Cb 0.09 -1.01 0.03 0.00 1.11 0.00 0.00 32.58 32.81 2c3t s HIS 162 CO 0.45 0.64 1.08 -1.50 -0.85 0.00 0.00 174.74 174.56 2c3t s ILE 163 N -2.33 3.52 0.19 0.60 2.07 -1.26 -4.70 121.20 119.29 2c3t s ILE 163 Ca 0.27 0.53 -0.04 0.00 -1.41 0.00 0.00 60.65 60.00 2c3t s ILE 163 Cb -0.05 -3.09 0.02 0.00 0.13 0.00 0.00 42.46 39.46 2c3t s ILE 163 CO 0.13 -0.61 0.32 -1.54 -1.91 0.00 0.00 174.94 171.33 2c3t n SER 164 N -3.20 -0.92 -0.29 4.50 3.41 -1.26 -4.37 113.62 111.49 2c3t n SER 164 Ca 0.09 -1.92 -0.01 0.00 -0.26 0.00 0.00 58.87 56.77 2c3t n SER 164 Cb 0.53 1.61 0.18 0.00 -0.26 0.00 0.00 64.21 66.27 2c3t n SER 164 CO 0.00 0.00 0.00 -0.07 -0.16 0.00 0.00 175.04 174.81 2c3t h LEU 165 N 0.00 1.00 -0.61 1.04 3.38 -1.50 -2.62 115.31 116.00 2c3t h LEU 165 Ca -0.16 -0.04 0.12 0.00 0.09 0.00 0.00 57.88 57.89 2c3t h LEU 165 Cb 0.63 -0.25 -0.09 0.00 0.09 0.00 0.00 40.66 41.04 2c3t h LEU 165 CO 0.20 0.74 0.10 0.00 0.09 0.00 0.00 178.44 179.58 2c3t h ALA 166 N 1.44 0.70 -0.18 1.53 0.00 -1.85 -0.98 119.26 119.90 2c3t h ALA 166 Ca 0.31 0.14 -0.10 0.00 0.00 0.00 0.00 54.91 55.27 2c3t h ALA 166 Cb -0.10 0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.88 2c3t h ALA 166 CO -0.06 -0.33 -0.31 -0.44 0.00 0.00 0.00 179.25 178.11 2c3t h ASP 167 N 0.23 0.37 -0.26 0.00 3.32 -1.88 -1.44 116.42 116.75 2c3t h ASP 167 Ca 0.32 -0.13 -0.12 0.00 0.02 0.00 0.00 57.03 57.12 2c3t h ASP 167 Cb 0.49 -0.10 -0.01 0.00 0.22 0.00 0.00 39.33 39.93 2c3t h ASP 167 CO -0.43 0.66 -0.27 0.25 -1.72 0.00 0.00 179.24 177.73 2c3t h LEU 168 N 0.32 0.78 -0.10 1.55 5.85 -1.10 -1.15 115.31 121.45 2c3t h LEU 168 Ca 0.04 -0.30 -0.24 0.00 0.84 0.00 0.00 57.88 58.22 2c3t h LEU 168 Cb 0.70 -0.22 0.01 0.00 0.37 0.00 0.00 40.66 41.53 2c3t h LEU 168 CO 0.05 1.01 -0.85 0.58 -0.34 0.00 0.00 178.44 178.89 2c3t h VAL 169 N 0.65 1.28 0.01 1.05 2.07 -1.08 -3.10 116.25 117.13 2c3t h VAL 169 Ca 0.08 -2.05 -0.00 0.00 0.82 0.00 0.00 66.70 65.55 2c3t h VAL 169 Cb 0.79 2.12 0.00 0.00 -1.52 0.00 0.00 31.29 32.68 2c3t h VAL 169 CO 0.07 0.65 -0.01 0.00 0.02 0.00 0.00 177.57 178.30 2c3t h ALA 170 N 0.50 -0.01 -0.39 1.67 0.00 -1.15 -2.73 119.26 117.15 2c3t h ALA 170 Ca -0.08 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.74 2c3t h ALA 170 Cb 1.49 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 19.27 2c3t h ALA 170 CO 0.17 -0.42 0.25 0.97 0.00 0.00 0.00 179.25 180.23 2c3t h ILE 171 N -0.19 1.11 -0.38 0.00 6.09 -1.31 -1.31 117.51 121.51 2c3t h ILE 171 Ca -0.00 -0.21 -0.01 0.00 -1.37 0.00 0.00 64.86 63.27 2c3t h ILE 171 Cb 0.19 0.54 -0.02 0.00 0.47 0.00 0.00 36.82 38.00 2c3t h ILE 171 CO 0.00 0.10 0.20 0.71 -3.07 0.00 0.00 178.15 176.10 2c3t h THR 172 N 0.53 1.12 -0.31 2.19 1.35 -1.55 -1.46 112.91 114.77 2c3t h THR 172 Ca 0.14 -0.30 -0.08 0.00 -0.55 0.00 0.00 66.41 65.62 2c3t h THR 172 Cb -0.05 0.61 -0.01 0.00 -1.73 0.00 0.00 68.15 66.98 2c3t h THR 172 CO -0.03 0.13 -0.13 -0.33 -0.25 0.00 0.00 175.52 174.91 2c3t h GLU 173 N 0.52 0.64 0.00 4.72 5.08 -1.07 -2.87 114.58 121.60 2c3t h GLU 173 Ca 0.13 -0.27 -0.01 0.00 -1.00 0.00 0.00 59.36 58.21 2c3t h GLU 173 Cb 0.02 -0.02 -0.00 0.00 0.50 0.00 0.00 28.75 29.24 2c3t h GLU 173 CO -0.02 0.85 -0.07 -0.07 -1.00 0.00 0.00 179.01 178.70 2c3t h LEU 174 N 0.40 0.00 -0.34 1.33 3.38 -0.71 -2.02 115.31 117.36 2c3t h LEU 174 Ca 0.07 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.04 2c3t h LEU 174 Cb 0.65 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.40 2c3t h LEU 174 CO 0.04 0.07 0.00 0.23 0.09 0.00 0.00 178.44 178.87 2c3t n MET 175 N -3.22 0.14 0.31 1.13 2.81 -0.60 -2.36 117.12 115.33 2c3t n MET 175 Ca -0.00 0.31 -0.14 0.00 -1.81 0.00 0.00 57.70 56.06 2c3t n MET 175 Cb 0.31 -1.73 -0.07 0.00 -0.71 0.00 0.00 33.22 31.02 2c3t n MET 175 CO 0.00 0.00 0.00 0.45 1.51 0.00 0.00 175.97 177.93 2c3t h HIS 176 N 0.00 -0.78 0.00 2.03 3.86 -1.42 -1.21 115.15 117.63 2c3t h HIS 176 Ca 0.00 -0.02 -0.04 0.00 -1.16 0.00 0.00 60.37 59.15 2c3t h HIS 176 Cb 0.41 0.26 -0.01 0.00 1.06 0.00 0.00 27.41 29.13 2c3t h HIS 176 CO 0.00 -0.46 -0.19 -1.00 0.86 0.00 0.00 177.93 177.13 2c3t h PRO 177 N -1.18 0.00 -0.40 2.45 0.13 -1.71 -2.07 132.00 129.22 2c3t h PRO 177 Ca -0.09 0.00 -0.12 0.00 -0.87 0.00 0.00 66.00 64.93 2c3t h PRO 177 Cb 0.67 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.78 2c3t h PRO 177 CO 0.14 0.19 -0.22 0.28 -0.23 0.00 0.00 178.00 178.17 2c3t h VAL 178 N 0.00 1.27 0.00 1.56 2.07 -1.50 0.05 116.25 119.70 2c3t h VAL 178 Ca -0.00 -1.33 0.00 0.00 0.82 0.00 0.00 66.70 66.19 2c3t h VAL 178 Cb 0.47 1.19 0.00 0.00 -1.52 0.00 0.00 31.29 31.43 2c3t h VAL 178 CO 0.03 0.45 0.00 1.23 0.02 0.00 0.00 177.57 179.29 2c3t h GLY 179 N 0.96 0.00 0.78 2.17 0.00 -0.87 -2.78 103.07 103.33 2c3t h GLY 179 Ca 0.10 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.43 2c3t h GLY 179 CO 0.06 0.00 -0.41 0.00 0.00 0.00 0.00 176.54 176.18 2c3t n ALA 180 N -1.85 3.38 -0.94 3.60 0.00 -0.81 -4.49 120.51 119.41 2c3t n ALA 180 Ca 0.04 -0.36 0.00 0.00 0.00 0.00 0.00 53.44 53.12 2c3t n ALA 180 Cb 0.40 -1.13 0.00 0.00 0.00 0.00 0.00 19.45 18.72 2c3t n ALA 180 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2c3t n GLY 181 N 1.45 0.90 3.89 0.00 0.00 -0.88 -4.73 105.19 105.81 2c3t n GLY 181 Ca 0.08 -0.56 -0.30 0.00 0.00 0.00 0.00 46.02 45.23 2c3t n GLY 181 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2c3t s GLN 183 N -3.20 3.95 -0.13 0.00 -0.21 -1.26 -4.56 119.66 114.24 2c3t s GLN 183 Ca 0.46 -2.17 -0.22 0.00 0.02 0.00 0.00 55.36 53.45 2c3t s GLN 183 Cb -0.11 -5.21 -0.20 0.00 1.00 0.00 0.00 33.01 28.49 2c3t s GLN 183 CO 0.26 -1.95 0.57 0.28 -2.12 0.00 0.00 175.29 172.32 2c3t h VAL 184 N 5.28 1.35 0.00 1.09 2.07 -1.94 -3.40 116.25 120.69 2c3t h VAL 184 Ca 0.32 -2.02 -0.24 0.00 0.82 0.00 0.00 66.70 65.58 2c3t h VAL 184 Cb 0.90 2.56 -0.04 0.00 -1.52 0.00 0.00 31.29 33.19 2c3t h VAL 184 CO 1.31 0.46 -1.48 -0.26 0.02 0.00 0.00 177.57 177.61 2c3t h PHE 185 N -1.00 0.00 -2.63 1.57 -1.00 -1.90 -3.44 116.94 108.54 2c3t h PHE 185 Ca -0.01 0.00 -0.52 0.00 2.81 0.00 0.00 57.97 60.25 2c3t h PHE 185 Cb 0.77 0.00 0.06 0.00 3.61 0.00 0.00 35.95 40.39 2c3t h PHE 185 CO 0.21 0.88 1.02 0.39 -1.61 0.00 0.00 178.31 179.20 2c3t n GLU 186 N -3.06 2.78 -0.33 1.51 4.71 -1.26 -0.86 120.64 124.13 2c3t n GLU 186 Ca -0.12 1.00 0.00 0.00 -0.01 0.00 0.00 57.16 58.03 2c3t n GLU 186 Cb 0.97 -2.86 0.00 0.00 -1.01 0.00 0.00 31.44 28.55 2c3t n GLU 186 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 2c3t n GLY 187 N 3.99 1.31 2.50 0.62 0.00 -1.26 -4.96 105.19 107.39 2c3t n GLY 187 Ca 0.16 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.92 2c3t n GLY 187 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2c3t n ARG 188 N -2.00 1.44 -0.22 1.61 1.74 -0.04 -4.99 116.66 114.21 2c3t n ARG 188 Ca 0.00 -3.99 0.09 0.00 -0.77 0.00 0.00 57.85 53.18 2c3t n ARG 188 Cb 0.00 -1.92 0.37 0.00 -1.02 0.00 0.00 32.46 29.90 2c3t n ARG 188 CO 0.00 0.00 0.00 -1.00 -1.52 0.00 0.00 177.63 175.11 2c3t h PRO 189 N 4.79 0.69 -0.45 5.56 0.13 -1.93 -1.53 132.00 139.25 2c3t h PRO 189 Ca 0.17 -0.04 -0.07 0.00 -0.87 0.00 0.00 66.00 65.19 2c3t h PRO 189 Cb 0.79 -0.16 -0.02 0.00 0.13 0.00 0.00 31.00 31.74 2c3t h PRO 189 CO 0.62 0.46 0.01 0.87 -0.23 0.00 0.00 178.00 179.73 2c3t h LYS 190 N 0.71 0.74 0.00 0.86 1.57 -1.94 0.29 116.57 118.80 2c3t h LYS 190 Ca 0.37 -0.19 -0.14 0.00 -1.87 0.00 0.00 60.65 58.82 2c3t h LYS 190 Cb 0.48 -0.09 -0.02 0.00 0.08 0.00 0.00 32.23 32.68 2c3t h LYS 190 CO -0.14 0.75 -0.68 -0.07 -0.57 0.00 0.00 179.45 178.73 2c3t h LEU 191 N 0.69 0.00 -0.17 2.94 3.38 -1.79 -2.84 115.31 117.52 2c3t h LEU 191 Ca 0.14 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 58.06 2c3t h LEU 191 Cb 0.42 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.16 2c3t h LEU 191 CO 0.02 0.68 -0.10 0.00 0.09 0.00 0.00 178.44 179.13 2c3t h ALA 192 N 1.32 0.25 -0.39 1.53 0.00 -0.64 -0.41 119.26 120.91 2c3t h ALA 192 Ca -0.01 -0.29 -0.09 0.00 0.00 0.00 0.00 54.91 54.52 2c3t h ALA 192 Cb 1.38 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 19.09 2c3t h ALA 192 CO 0.09 0.08 -0.12 1.79 0.00 0.00 0.00 179.25 181.08 2c3t h THR 193 N 0.05 1.25 -0.61 0.00 1.35 -1.02 -2.73 112.91 111.20 2c3t h THR 193 Ca 0.04 -1.15 -0.07 0.00 -0.55 0.00 0.00 66.41 64.67 2c3t h THR 193 Cb 0.59 1.09 -0.03 0.00 -1.73 0.00 0.00 68.15 68.07 2c3t h THR 193 CO 0.03 0.39 0.10 -0.25 -0.25 0.00 0.00 175.52 175.54 2c3t h TRP 194 N 0.64 1.04 -0.63 4.73 7.01 -1.42 -2.04 115.95 125.28 2c3t h TRP 194 Ca 0.11 -0.13 -0.00 0.00 2.11 0.00 0.00 58.89 60.98 2c3t h TRP 194 Cb 0.58 -0.29 -0.03 0.00 -2.10 0.00 0.00 29.16 27.32 2c3t h TRP 194 CO 0.03 0.88 0.39 -0.09 -2.79 0.00 0.00 178.44 176.86 2c3t h ARG 195 N 0.93 0.84 -0.12 2.65 2.43 -0.76 -0.30 114.38 120.05 2c3t h ARG 195 Ca 0.19 -0.06 -0.20 0.00 -0.81 0.00 0.00 59.98 59.09 2c3t h ARG 195 Cb 0.40 -0.18 0.00 0.00 -0.42 0.00 0.00 29.97 29.77 2c3t h ARG 195 CO 0.01 0.58 -0.74 1.96 -1.51 0.00 0.00 179.97 180.27 2c3t h GLN 196 N 0.86 0.60 -0.17 0.20 1.08 -1.32 -1.72 115.11 114.64 2c3t h GLN 196 Ca 0.23 -0.48 -0.11 0.00 -1.45 0.00 0.00 58.65 56.84 2c3t h GLN 196 Cb -0.05 0.10 -0.01 0.00 -0.05 0.00 0.00 27.48 27.46 2c3t h GLN 196 CO -0.04 1.10 -0.35 0.00 -0.95 0.00 0.00 178.83 178.58 2c3t h ARG 197 N 0.41 0.37 -0.11 1.46 3.08 -0.77 -1.20 114.38 117.61 2c3t h ARG 197 Ca -0.04 -0.16 -0.13 0.00 0.07 0.00 0.00 59.98 59.72 2c3t h ARG 197 Cb 1.34 -0.01 0.01 0.00 0.08 0.00 0.00 29.97 31.38 2c3t h ARG 197 CO 0.14 0.68 -0.45 0.28 -1.07 0.00 0.00 179.97 179.55 2c3t h VAL 198 N 0.31 1.37 -0.55 2.04 2.07 -1.03 -2.27 116.25 118.19 2c3t h VAL 198 Ca 0.04 -1.77 -0.05 0.00 0.82 0.00 0.00 66.70 65.73 2c3t h VAL 198 Cb 0.77 2.17 -0.03 0.00 -1.52 0.00 0.00 31.29 32.69 2c3t h VAL 198 CO 0.06 0.53 0.12 -0.33 0.02 0.00 0.00 177.57 177.98 2c3t h GLU 199 N 0.09 0.85 0.10 1.57 5.08 -1.24 -1.45 114.58 119.59 2c3t h GLU 199 Ca -0.03 -0.18 -0.01 0.00 -1.00 0.00 0.00 59.36 58.15 2c3t h GLU 199 Cb 1.09 -0.13 0.00 0.00 0.50 0.00 0.00 28.75 30.21 2c3t h GLU 199 CO 0.09 0.77 -0.05 0.00 -1.00 0.00 0.00 179.01 178.83 2c3t h ALA 200 N 1.32 -0.14 -0.06 3.43 0.00 -1.22 0.40 119.26 122.99 2c3t h ALA 200 Ca 0.18 -0.10 -0.01 0.00 0.00 0.00 0.00 54.91 54.98 2c3t h ALA 200 Cb 0.31 0.05 -0.00 0.00 0.00 0.00 0.00 17.79 18.15 2c3t h ALA 200 CO 0.00 -0.50 -0.00 0.00 0.00 0.00 0.00 179.25 178.75 2c3t h ALA 201 N 0.59 1.88 0.00 0.00 0.00 -1.23 -2.34 119.26 118.17 2c3t h ALA 201 Ca -0.01 -0.04 -0.23 0.00 0.00 0.00 0.00 54.91 54.62 2c3t h ALA 201 Cb 0.24 -0.03 -0.04 0.00 0.00 0.00 0.00 17.79 17.96 2c3t h ALA 201 CO 0.02 0.09 -1.54 0.28 0.00 0.00 0.00 179.25 178.10 2c3t h VAL 202 N 0.08 0.69 0.00 0.00 2.07 -1.11 -3.50 116.25 114.47 2c3t h VAL 202 Ca 0.02 -2.36 0.00 0.00 0.82 0.00 0.00 66.70 65.18 2c3t h VAL 202 Cb 0.07 2.24 0.00 0.00 -1.52 0.00 0.00 31.29 32.07 2c3t h VAL 202 CO 0.00 0.39 0.00 0.61 0.02 0.00 0.00 177.57 178.59 2c3t n GLY 203 N 1.47 1.44 0.37 2.17 0.00 0.14 -4.74 105.19 106.03 2c3t n GLY 203 Ca -0.13 -1.13 0.07 0.00 0.00 0.00 0.00 46.02 44.83 2c3t n GLY 203 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 2c3t h GLU 204 N 0.00 0.98 0.40 1.61 3.07 -1.76 -1.31 114.58 117.57 2c3t h GLU 204 Ca 0.00 -0.06 -0.02 0.00 -0.50 0.00 0.00 59.36 58.78 2c3t h GLU 204 Cb 0.00 -0.22 0.00 0.00 -0.84 0.00 0.00 28.75 27.69 2c3t h GLU 204 CO 0.00 0.65 -0.19 0.22 -1.40 0.00 0.00 179.01 178.28 2c3t h ASP 205 N 1.01 -0.46 -0.88 1.42 3.58 -1.92 -1.74 116.42 117.43 2c3t h ASP 205 Ca 0.48 0.01 -0.01 0.00 0.42 0.00 0.00 57.03 57.93 2c3t h ASP 205 Cb 0.45 0.12 -0.04 0.00 1.72 0.00 0.00 39.33 41.57 2c3t h ASP 205 CO -0.24 -0.32 0.52 0.25 -2.88 0.00 0.00 179.24 176.57 2c3t h LEU 206 N -0.55 1.07 -0.11 2.28 5.85 -1.79 -1.86 115.31 120.20 2c3t h LEU 206 Ca -0.06 -0.08 0.01 0.00 0.84 0.00 0.00 57.88 58.60 2c3t h LEU 206 Cb 0.42 -0.27 -0.01 0.00 0.37 0.00 0.00 40.66 41.17 2c3t h LEU 206 CO 0.09 0.84 0.02 0.15 -0.34 0.00 0.00 178.44 179.20 2c3t h PHE 207 N 1.22 0.04 -0.27 1.25 3.57 -1.13 -2.30 116.94 119.32 2c3t h PHE 207 Ca 0.31 0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.82 2c3t h PHE 207 Cb -0.03 -0.00 -0.01 0.00 2.79 0.00 0.00 35.95 38.70 2c3t h PHE 207 CO 0.00 0.02 0.18 0.37 -2.23 0.00 0.00 178.31 176.65 2c3t h GLN 208 N 0.08 0.36 -0.28 1.11 4.15 -1.10 -2.87 115.11 116.55 2c3t h GLN 208 Ca 0.05 -0.02 0.06 0.00 0.77 0.00 0.00 58.65 59.51 2c3t h GLN 208 Cb 0.04 -0.08 -0.07 0.00 0.21 0.00 0.00 27.48 27.58 2c3t h GLN 208 CO -0.06 0.24 -0.15 1.49 -1.93 0.00 0.00 178.83 178.41 2c3t h GLU 209 N 0.37 -0.11 0.00 1.69 4.81 -1.14 -1.79 114.58 118.40 2c3t h GLU 209 Ca 0.10 0.01 -0.02 0.00 -0.13 0.00 0.00 59.36 59.32 2c3t h GLU 209 Cb -0.04 0.03 -0.00 0.00 0.63 0.00 0.00 28.75 29.36 2c3t h GLU 209 CO -0.02 -0.08 -0.09 0.00 -0.73 0.00 0.00 179.01 178.09 2c3t h ALA 210 N 1.09 1.20 -0.58 2.92 0.00 -1.35 -2.85 119.26 119.69 2c3t h ALA 210 Ca 0.15 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.98 2c3t h ALA 210 Cb 0.34 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.12 2c3t h ALA 210 CO -0.35 0.11 0.00 0.72 0.00 0.00 0.00 179.25 179.73 2c3t n HIS 211 N -3.49 1.14 -0.10 0.00 8.25 -0.73 -4.54 115.22 115.76 2c3t n HIS 211 Ca -0.02 -0.59 -0.01 0.00 -0.26 0.00 0.00 57.72 56.85 2c3t n HIS 211 Cb 0.23 -0.16 0.25 0.00 1.12 0.00 0.00 29.99 31.44 2c3t n HIS 211 CO 0.00 0.00 0.00 0.93 0.64 0.00 0.00 176.34 177.91 2c3t h GLU 212 N 3.55 0.74 0.03 -0.41 5.08 -1.16 -2.78 114.58 119.64 2c3t h GLU 212 Ca 0.00 -0.12 -0.00 0.00 -1.00 0.00 0.00 59.36 58.24 2c3t h GLU 212 Cb 1.22 -0.13 0.00 0.00 0.50 0.00 0.00 28.75 30.34 2c3t h GLU 212 CO 0.14 0.64 -0.02 0.28 -1.00 0.00 0.00 179.01 179.05 2c3t h VAL 213 N 0.73 1.39 0.00 3.13 2.07 -1.83 -3.30 116.25 118.45 2c3t h VAL 213 Ca 0.17 -1.69 -0.01 0.00 0.82 0.00 0.00 66.70 65.99 2c3t h VAL 213 Cb 0.19 2.46 -0.00 0.00 -1.52 0.00 0.00 31.29 32.42 2c3t h VAL 213 CO -0.01 0.41 -0.03 -0.29 0.02 0.00 0.00 177.57 177.67 2c3t h ILE 214 N -0.83 0.30 0.00 4.57 6.09 -1.73 -0.95 117.51 124.96 2c3t h ILE 214 Ca -0.00 -0.19 0.00 0.00 -1.37 0.00 0.00 64.86 63.30 2c3t h ILE 214 Cb 0.70 1.14 0.00 0.00 0.47 0.00 0.00 36.82 39.13 2c3t h ILE 214 CO 0.01 0.03 -0.11 0.18 -3.07 0.00 0.00 178.15 175.19 2c3t n LEU 215 N -3.44 0.47 -0.29 2.19 4.77 -1.05 -3.26 117.00 116.38 2c3t n LEU 215 Ca -0.02 0.47 0.09 0.00 -0.03 0.00 0.00 56.01 56.51 2c3t n LEU 215 Cb 0.14 -0.37 -0.03 0.00 -2.33 0.00 0.00 43.42 40.83 2c3t n LEU 215 CO 0.25 -0.08 0.18 0.29 -1.33 0.00 0.00 177.39 176.71 2c3t n LYS 216 N -1.90 1.38 -0.29 3.23 5.02 -0.39 -4.71 118.16 120.51 2c3t n LYS 216 Ca 0.06 -0.62 0.08 0.00 -2.02 0.00 0.00 58.31 55.81 2c3t n LYS 216 Cb 0.39 -1.35 0.17 0.00 -0.02 0.00 0.00 35.03 34.22 2c3t n LYS 216 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2c3t n ALA 217 N -0.49 0.30 0.29 7.82 0.00 -1.05 -0.00 120.51 127.38 2c3t n ALA 217 Ca 0.06 0.90 0.20 0.00 0.00 0.00 0.00 53.44 54.60 2c3t n ALA 217 Cb 0.36 -0.59 1.05 0.00 0.00 0.00 0.00 19.45 20.26 2c3t n ALA 217 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 2c3t h LYS 218 N 0.00 0.00 -0.54 0.00 1.57 -1.84 -2.68 116.57 113.07 2c3t h LYS 218 Ca 0.44 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.22 2c3t h LYS 218 Cb 0.79 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.10 2c3t h LYS 218 CO -0.82 0.00 0.00 -0.25 -0.57 0.00 0.00 179.45 177.81 2c3t n ASP 219 N -2.86 3.85 -4.72 0.86 8.00 1.00 -4.97 116.55 117.70 2c3t n ASP 219 Ca -0.02 -2.22 -0.42 0.00 0.71 0.00 0.00 54.79 52.85 2c3t n ASP 219 Cb 0.07 -0.44 -0.03 0.00 -0.02 0.00 0.00 41.12 40.70 2c3t n ASP 219 CO 0.00 0.00 0.00 -0.36 -0.39 0.00 0.00 177.20 176.45 2c3t s PHE 220 N -1.40 3.52 0.54 1.24 0.40 -1.01 -4.99 117.98 116.28 2c3t s PHE 220 Ca 0.41 1.47 -0.22 0.00 -0.60 0.00 0.00 56.93 57.98 2c3t s PHE 220 Cb 0.24 -3.33 -0.05 0.00 0.51 0.00 0.00 43.02 40.38 2c3t s PHE 220 CO 0.23 -0.88 1.34 -0.35 0.70 0.00 0.00 175.22 176.25 2c3t n PRO 221 N 3.17 1.70 -1.64 0.24 -0.04 -1.26 -4.63 135.00 132.54 2c3t n PRO 221 Ca 0.06 0.62 -0.40 0.00 -0.04 0.00 0.00 63.50 63.74 2c3t n PRO 221 Cb 0.47 -2.55 0.02 0.00 -0.04 0.00 0.00 33.50 31.40 2c3t n PRO 221 CO 0.00 0.00 0.00 -2.30 -0.04 0.00 0.00 175.50 173.16 2c3t n PRO 222 N -0.89 1.43 -2.22 0.54 -0.02 -1.26 -4.88 135.00 127.70 2c3t n PRO 222 Ca 0.10 0.52 -0.40 0.00 -2.02 0.00 0.00 63.50 61.69 2c3t n PRO 222 Cb 0.44 -2.19 -0.03 0.00 -0.02 0.00 0.00 33.50 31.70 2c3t n PRO 222 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2c3t s ALA 223 N -1.31 3.44 0.62 3.55 0.00 -0.38 -5.01 121.76 122.67 2c3t s ALA 223 Ca 0.66 1.14 -0.16 0.00 0.00 0.00 0.00 51.96 53.60 2c3t s ALA 223 Cb -0.50 -3.43 -0.02 0.00 0.00 0.00 0.00 23.12 19.17 2c3t s ALA 223 CO 0.55 -0.52 1.11 0.16 0.00 0.00 0.00 175.76 177.06 2c3t s ASP 224 N -0.64 5.33 0.00 0.00 3.84 -1.26 -4.76 116.67 119.17 2c3t s ASP 224 Ca 0.49 2.03 0.00 0.00 -0.00 0.00 0.00 52.55 55.06 2c3t s ASP 224 Cb -0.37 -2.56 0.00 0.00 -1.38 0.00 0.00 42.92 38.61 2c3t s ASP 224 CO 0.49 -1.48 0.22 -2.65 -0.00 0.00 0.00 175.17 171.75 2c3t n PRO 225 N -2.09 0.00 -0.09 2.11 -0.02 -1.26 -2.28 135.00 131.37 2c3t n PRO 225 Ca 0.11 0.00 -0.17 0.00 -2.02 0.00 0.00 63.50 61.42 2c3t n PRO 225 Cb 0.52 -1.39 -0.07 0.00 -0.02 0.00 0.00 33.50 32.54 2c3t n PRO 225 CO 0.00 0.00 0.00 0.25 1.98 0.00 0.00 175.50 177.73 2c3t n THR 226 N -0.67 0.99 -0.10 3.45 -2.24 -1.26 -4.51 114.28 109.93 2c3t n THR 226 Ca 0.00 -0.30 -0.13 0.00 -2.27 0.00 0.00 64.05 61.36 2c3t n THR 226 Cb 0.00 -1.52 -0.04 0.00 -2.10 0.00 0.00 70.33 66.67 2c3t n THR 226 CO 0.00 0.00 0.00 0.40 -0.57 0.00 0.00 175.07 174.90 2c3t h ILE 227 N -0.42 1.30 -0.88 2.28 2.04 -1.82 -3.20 117.51 116.80 2c3t h ILE 227 Ca -0.43 -1.39 0.13 0.00 1.00 0.00 0.00 64.86 64.17 2c3t h ILE 227 Cb 1.47 1.51 -0.09 0.00 -0.74 0.00 0.00 36.82 38.97 2c3t h ILE 227 CO -0.20 0.45 0.49 0.50 0.00 0.00 0.00 178.15 179.39 2c3t h LYS 228 N 0.47 0.73 0.00 2.37 3.64 -1.77 0.18 116.57 122.18 2c3t h LYS 228 Ca 0.06 -0.04 -0.07 0.00 -1.27 0.00 0.00 60.65 59.32 2c3t h LYS 228 Cb 0.80 -0.16 -0.01 0.00 -0.41 0.00 0.00 32.23 32.44 2c3t h LYS 228 CO 0.06 0.48 -0.34 1.96 -2.27 0.00 0.00 179.45 179.34 2c3t h GLN 229 N 0.75 0.00 0.00 1.90 7.50 -1.78 -0.44 115.11 123.03 2c3t h GLN 229 Ca 0.46 0.00 -0.25 0.00 0.50 0.00 0.00 58.65 59.36 2c3t h GLN 229 Cb 0.56 0.00 -0.04 0.00 0.05 0.00 0.00 27.48 28.05 2c3t h GLN 229 CO -0.31 0.34 -1.43 0.87 -1.50 0.00 0.00 178.83 176.80 2c3t h LYS 230 N 0.00 0.00 0.11 1.46 1.57 -1.13 -3.39 116.57 115.19 2c3t h LYS 230 Ca -0.00 0.00 -0.27 0.00 -1.87 0.00 0.00 60.65 58.50 2c3t h LYS 230 Cb 0.65 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.95 2c3t h LYS 230 CO 0.04 0.64 -1.41 -0.07 -0.57 0.00 0.00 179.45 178.09 2c3t h LEU 231 N 0.00 0.37 -0.61 2.94 3.38 -0.59 -3.39 115.31 117.40 2c3t h LEU 231 Ca -0.18 -0.85 0.08 0.00 0.09 0.00 0.00 57.88 57.02 2c3t h LEU 231 Cb 1.89 -0.12 -0.09 0.00 0.09 0.00 0.00 40.66 42.43 2c3t h LEU 231 CO 0.09 1.61 -0.28 0.80 0.09 0.00 0.00 178.44 180.76 2c3t n MET 232 N -3.93 -0.18 -0.11 1.13 1.56 -0.19 -0.49 117.12 114.90 2c3t n MET 232 Ca -0.25 0.94 -0.13 0.00 -0.27 0.00 0.00 57.70 57.99 2c3t n MET 232 Cb 0.89 -1.39 -0.03 0.00 2.15 0.00 0.00 33.22 34.84 2c3t n MET 232 CO 0.00 0.00 0.00 -1.35 -0.73 0.00 0.00 175.97 173.89 2c3t h PRO 233 N 0.00 0.77 0.00 2.12 0.11 -1.81 -1.25 132.00 131.94 2c3t h PRO 233 Ca 0.18 -0.38 -0.01 0.00 0.11 0.00 0.00 66.00 65.90 2c3t h PRO 233 Cb 0.33 -0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.44 2c3t h PRO 233 CO -0.60 1.00 -0.04 0.00 -0.21 0.00 0.00 178.00 178.15 2c3t h ARG 234 N 0.55 0.00 0.01 1.05 2.47 -1.07 -1.74 114.38 115.65 2c3t h ARG 234 Ca 0.07 0.00 -0.04 0.00 -1.26 0.00 0.00 59.98 58.74 2c3t h ARG 234 Cb 0.82 0.00 -0.00 0.00 -1.65 0.00 0.00 29.97 29.13 2c3t h ARG 234 CO 0.07 0.04 -0.22 0.28 0.56 0.00 0.00 179.97 180.70 2c3t h VAL 235 N 0.00 1.67 -0.34 2.04 2.07 -0.65 -3.18 116.25 117.86 2c3t h VAL 235 Ca -0.00 -2.34 0.03 0.00 0.82 0.00 0.00 66.70 65.20 2c3t h VAL 235 Cb 0.09 3.24 -0.02 0.00 -1.52 0.00 0.00 31.29 33.08 2c3t h VAL 235 CO 0.01 0.58 0.23 -0.07 0.02 0.00 0.00 177.57 178.34 2c3t h LEU 236 N -0.95 0.31 -0.50 2.57 3.38 -1.05 -2.35 115.31 116.72 2c3t h LEU 236 Ca -0.05 -0.00 -0.15 0.00 0.09 0.00 0.00 57.88 57.76 2c3t h LEU 236 Cb 1.09 -0.07 -0.02 0.00 0.09 0.00 0.00 40.66 41.74 2c3t h LEU 236 CO -0.01 0.22 -0.73 0.00 0.09 0.00 0.00 178.44 178.01 2c3t h ALA 237 N 1.80 0.76 0.00 1.53 0.00 -1.45 -3.22 119.26 118.69 2c3t h ALA 237 Ca 0.14 -0.66 0.00 0.00 0.00 0.00 0.00 54.91 54.39 2c3t h ALA 237 Cb 0.10 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 17.77 2c3t h ALA 237 CO -0.03 0.91 -0.62 0.00 0.00 0.00 0.00 179.25 179.51 2c3t h MET 238 N 0.00 0.00 -0.63 0.00 -0.00 -1.41 -3.32 114.93 109.58 2c3t h MET 238 Ca -0.01 0.00 0.00 0.00 -0.00 0.00 0.00 59.70 59.69 2c3t h MET 238 Cb 1.31 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 32.91 2c3t h MET 238 CO 0.09 0.00 0.00 0.44 -0.00 0.00 0.00 176.91 177.44 2c3t n ILE 239 N -2.69 1.35 0.00 -0.10 -5.35 -1.02 -5.03 119.36 106.52 2c3t n ILE 239 Ca 0.02 -0.95 0.00 0.00 -0.27 0.00 0.00 62.75 61.55 2c3t n ILE 239 Cb 0.52 0.16 0.00 0.00 -1.74 0.00 0.00 39.64 38.59 2c3t n ILE 239 CO 0.00 0.00 0.00 0.54 -1.76 0.00 0.00 176.55 175.33