#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3iup s SER 3 N 0.00 2.67 0.37 4.39 1.04 -1.26 -1.27 113.70 119.64 3iup s SER 3 Ca 0.00 -1.07 -0.09 0.00 0.48 0.00 0.00 55.95 55.27 3iup s SER 3 Cb 0.00 -0.15 0.03 0.00 0.10 0.00 0.00 66.02 66.00 3iup s SER 3 CO 0.00 -0.21 0.65 0.00 0.98 0.00 0.00 173.24 174.66 3iup s ALA 4 N -2.96 -0.00 0.14 5.32 0.00 0.19 -4.88 121.76 119.57 3iup s ALA 4 Ca 0.25 -1.13 -0.02 0.00 0.00 0.00 0.00 51.96 51.06 3iup s ALA 4 Cb 0.00 0.89 -0.05 0.00 0.00 0.00 0.00 23.12 23.97 3iup s ALA 4 CO 0.09 -0.90 0.33 -0.51 0.00 0.00 0.00 175.76 174.77 3iup s LEU 5 N -3.16 4.28 -0.14 0.00 1.43 -1.26 -0.47 118.68 119.37 3iup s LEU 5 Ca 0.23 0.41 -0.12 0.00 -1.03 0.00 0.00 54.13 53.62 3iup s LEU 5 Cb -0.03 -3.14 0.04 0.00 0.03 0.00 0.00 46.19 43.09 3iup s LEU 5 CO 0.16 0.05 0.36 -1.58 0.23 0.00 0.00 176.35 175.57 3iup s GLN 6 N -2.91 0.40 0.39 1.70 0.74 -0.44 -1.32 119.66 118.22 3iup s GLN 6 Ca 0.38 0.54 -0.25 0.00 0.05 0.00 0.00 55.36 56.08 3iup s GLN 6 Cb -0.12 0.15 -0.09 0.00 1.10 0.00 0.00 33.01 34.06 3iup s GLN 6 CO 0.27 -0.07 1.11 -1.17 -0.55 0.00 0.00 175.29 174.88 3iup s LEU 7 N 0.43 4.21 0.03 3.68 0.20 -0.44 -0.44 118.68 126.35 3iup s LEU 7 Ca -0.02 2.20 0.03 0.00 0.69 0.00 0.00 54.13 57.03 3iup s LEU 7 Cb -0.04 -4.05 -0.02 0.00 -0.43 0.00 0.00 46.19 41.65 3iup s LEU 7 CO -0.02 -0.54 -0.09 -0.13 -0.29 0.00 0.00 176.35 175.28 3iup s ARG 8 N -2.29 0.65 -0.17 1.98 1.81 -0.00 -4.11 118.95 116.82 3iup s ARG 8 Ca 0.56 -0.58 0.01 0.00 -1.72 0.00 0.00 55.73 54.00 3iup s ARG 8 Cb -0.27 -0.57 0.03 0.00 -0.45 0.00 0.00 34.95 33.69 3iup s ARG 8 CO 0.34 0.14 -0.14 0.45 -0.68 0.00 0.00 175.30 175.41 3iup s SER 9 N -0.96 2.94 -0.22 0.23 0.15 -1.26 -1.92 113.70 112.67 3iup s SER 9 Ca -0.02 -0.62 0.02 0.00 0.70 0.00 0.00 55.95 56.03 3iup s SER 9 Cb -0.07 -1.23 0.04 0.00 -1.71 0.00 0.00 66.02 63.05 3iup s SER 9 CO 0.00 -0.08 -0.15 -0.13 1.20 0.00 0.00 173.24 174.09 3iup s ARG 10 N 1.44 2.58 -0.29 5.44 0.52 -0.20 -4.56 118.95 123.88 3iup s ARG 10 Ca 0.03 -1.11 -0.13 0.00 -0.52 0.00 0.00 55.73 54.00 3iup s ARG 10 Cb -0.14 -2.74 -0.04 0.00 0.52 0.00 0.00 34.95 32.55 3iup s ARG 10 CO -0.10 -0.41 0.26 0.42 0.02 0.00 0.00 175.30 175.49 3iup s ILE 11 N 1.19 5.26 0.26 1.52 1.01 -1.26 -0.61 121.20 128.56 3iup s ILE 11 Ca -0.03 0.21 -0.04 0.00 0.00 0.00 0.00 60.65 60.80 3iup s ILE 11 Cb -0.17 -3.63 -0.05 0.00 0.01 0.00 0.00 42.46 38.63 3iup s ILE 11 CO -0.09 0.16 0.50 -0.54 0.00 0.00 0.00 174.94 174.97 3iup s LYS 12 N 1.86 3.60 0.62 2.79 1.02 0.10 -0.18 119.74 129.54 3iup s LYS 12 Ca 0.09 -0.11 0.36 0.00 0.02 0.00 0.00 55.97 56.33 3iup s LYS 12 Cb -0.16 -2.71 2.09 0.00 -0.52 0.00 0.00 37.83 36.52 3iup s LYS 12 CO 0.11 0.28 2.31 0.77 -0.92 0.00 0.00 175.35 177.89 3iup h SER 13 N 1.80 0.00 0.21 2.83 0.02 -1.91 0.40 113.55 116.90 3iup h SER 13 Ca -0.48 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.47 3iup h SER 13 Cb 1.19 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.73 3iup h SER 13 CO 0.67 0.00 0.00 0.77 -1.14 0.00 0.00 176.83 177.13 3iup h SER 14 N 0.00 0.00 0.00 3.07 4.64 -2.03 -3.46 113.55 115.77 3iup h SER 14 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3iup h SER 14 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 3iup h SER 14 CO 0.00 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 176.57 3iup n GLY 15 N -0.93 0.71 3.81 -0.77 0.00 0.13 -5.02 105.19 103.13 3iup n GLY 15 Ca -0.01 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.64 3iup n GLY 15 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3iup s GLU 16 N -0.69 3.97 -0.11 1.61 2.12 -1.25 -0.19 118.70 124.16 3iup s GLU 16 Ca 0.00 0.35 -0.15 0.00 0.36 0.00 0.00 54.97 55.53 3iup s GLU 16 Cb 0.00 -3.26 -0.05 0.00 0.26 0.00 0.00 34.13 31.08 3iup s GLU 16 CO 0.00 0.59 0.38 -1.17 -0.54 0.00 0.00 175.26 174.52 3iup s LEU 17 N -0.72 4.31 -0.13 2.70 2.96 0.36 -0.72 118.68 127.43 3iup s LEU 17 Ca 0.23 0.71 0.01 0.00 -0.22 0.00 0.00 54.13 54.86 3iup s LEU 17 Cb -0.16 -2.52 0.02 0.00 0.50 0.00 0.00 46.19 44.03 3iup s LEU 17 CO 0.11 0.12 -0.16 -0.70 -1.32 0.00 0.00 176.35 174.41 3iup s GLU 18 N 0.17 2.34 -0.13 1.98 2.12 0.22 -1.65 118.70 123.74 3iup s GLU 18 Ca 0.21 -0.59 -0.03 0.00 0.36 0.00 0.00 54.97 54.92 3iup s GLU 18 Cb -0.14 -2.04 -0.03 0.00 0.26 0.00 0.00 34.13 32.18 3iup s GLU 18 CO 0.08 -0.13 -0.02 -0.51 -0.54 0.00 0.00 175.26 174.14 3iup s LEU 19 N 1.17 3.36 0.17 2.70 1.43 0.89 -1.03 118.68 127.38 3iup s LEU 19 Ca -0.02 -0.04 -0.13 0.00 -1.03 0.00 0.00 54.13 52.91 3iup s LEU 19 Cb -0.14 -1.80 0.01 0.00 0.03 0.00 0.00 46.19 44.29 3iup s LEU 19 CO -0.05 0.24 0.39 -0.94 0.23 0.00 0.00 176.35 176.21 3iup s SER 20 N -0.03 -0.11 -0.39 2.29 1.04 -0.81 -1.12 113.70 114.57 3iup s SER 20 Ca 0.02 -0.62 -0.15 0.00 0.48 0.00 0.00 55.95 55.68 3iup s SER 20 Cb -0.13 0.49 0.01 0.00 0.10 0.00 0.00 66.02 66.49 3iup s SER 20 CO 0.02 -0.94 0.33 -0.76 0.98 0.00 0.00 173.24 172.87 3iup s LEU 21 N -2.90 4.83 0.17 2.42 1.43 -1.25 -0.82 118.68 122.56 3iup s LEU 21 Ca 0.11 -0.65 -0.08 0.00 -1.03 0.00 0.00 54.13 52.48 3iup s LEU 21 Cb 0.02 -2.23 -0.06 0.00 0.03 0.00 0.00 46.19 43.94 3iup s LEU 21 CO -0.04 -0.42 0.47 -1.81 0.23 0.00 0.00 176.35 174.78 3iup s ASP 22 N 1.73 6.59 -0.24 2.29 1.11 0.42 -4.86 116.67 123.70 3iup s ASP 22 Ca 0.08 0.80 -0.23 0.00 0.18 0.00 0.00 52.55 53.37 3iup s ASP 22 Cb -0.18 -2.18 -0.01 0.00 1.07 0.00 0.00 42.92 41.63 3iup s ASP 22 CO 0.11 0.02 0.77 -0.55 1.18 0.00 0.00 175.17 176.70 3iup s SER 23 N -2.25 6.76 -0.07 0.27 0.15 -1.26 -1.32 113.70 115.97 3iup s SER 23 Ca 0.42 0.94 0.03 0.00 0.70 0.00 0.00 55.95 58.04 3iup s SER 23 Cb -0.12 -2.41 0.00 0.00 -1.71 0.00 0.00 66.02 61.79 3iup s SER 23 CO 0.22 -0.47 -0.18 -0.63 1.20 0.00 0.00 173.24 173.38 3iup s ILE 24 N 2.73 1.53 0.38 6.45 -1.09 0.38 -4.93 121.20 126.64 3iup s ILE 24 Ca 0.32 -0.73 -0.27 0.00 -2.23 0.00 0.00 60.65 57.74 3iup s ILE 24 Cb -0.15 -1.34 -0.10 0.00 -1.58 0.00 0.00 42.46 39.29 3iup s ILE 24 CO 0.08 0.44 1.41 -1.81 -1.23 0.00 0.00 174.94 173.83 3iup s ASP 25 N 0.36 6.36 -0.33 3.58 1.01 -1.26 -0.64 116.67 125.75 3iup s ASP 25 Ca -0.13 2.89 -0.18 0.00 0.71 0.00 0.00 52.55 55.85 3iup s ASP 25 Cb -0.15 -2.66 -0.01 0.00 1.01 0.00 0.00 42.92 41.11 3iup s ASP 25 CO 0.05 -0.84 0.49 -0.89 0.21 0.00 0.00 175.17 174.19 3iup s THR 26 N -1.16 5.05 0.70 -1.27 2.01 -0.40 -4.85 115.64 115.72 3iup s THR 26 Ca 0.54 0.40 -0.14 0.00 0.31 0.00 0.00 61.69 62.79 3iup s THR 26 Cb -0.43 -3.92 0.02 0.00 0.01 0.00 0.00 72.50 68.18 3iup s THR 26 CO 0.58 -0.14 1.13 -2.84 -0.69 0.00 0.00 174.62 172.66 3iup s PRO 27 N 2.33 2.51 0.03 4.92 0.02 -1.26 -4.70 135.00 138.85 3iup s PRO 27 Ca 0.18 1.47 -0.20 0.00 0.02 0.00 0.00 61.00 62.46 3iup s PRO 27 Cb -0.16 -1.91 -0.06 0.00 0.02 0.00 0.00 34.50 32.40 3iup s PRO 27 CO 0.12 -1.49 0.59 -1.01 -0.33 0.00 0.00 177.00 174.89 3iup s HIS 28 N -2.32 3.74 0.26 6.54 3.76 -1.26 -4.92 115.29 121.08 3iup s HIS 28 Ca 0.68 1.25 -0.30 0.00 -0.15 0.00 0.00 55.06 56.54 3iup s HIS 28 Cb -0.22 -2.57 -0.09 0.00 1.11 0.00 0.00 32.58 30.80 3iup s HIS 28 CO 0.44 0.45 1.25 -1.25 -0.85 0.00 0.00 174.74 174.79 3iup s PRO 29 N -0.58 4.44 1.10 8.40 0.04 -1.26 -5.03 135.00 142.11 3iup s PRO 29 Ca 0.30 2.04 -0.15 0.00 0.04 0.00 0.00 61.00 63.23 3iup s PRO 29 Cb -0.19 -3.16 0.24 0.00 0.04 0.00 0.00 34.50 31.43 3iup s PRO 29 CO 0.18 -0.12 1.08 0.20 0.04 0.00 0.00 177.00 178.39 3iup s GLY 30 N -0.20 1.56 0.34 0.56 0.00 -1.26 -4.42 107.32 103.89 3iup s GLY 30 Ca 0.51 -0.55 0.13 0.00 0.00 0.00 0.00 44.72 44.81 3iup s GLY 30 CO 0.43 0.18 1.65 -2.55 0.00 0.00 0.00 173.10 172.80 3iup h PRO 31 N -2.26 0.24 -0.66 2.90 0.11 -1.96 -0.14 132.00 130.23 3iup h PRO 31 Ca -0.52 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.57 3iup h PRO 31 Cb 1.32 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 32.38 3iup h PRO 31 CO 0.49 0.16 0.00 -0.25 -0.21 0.00 0.00 178.00 178.19 3iup n ASP 32 N -5.13 4.45 -4.58 -2.05 8.00 -1.26 -1.59 116.55 114.40 3iup n ASP 32 Ca 0.31 -2.36 -0.24 0.00 0.71 0.00 0.00 54.79 53.20 3iup n ASP 32 Cb 0.97 -0.55 -0.09 0.00 -0.02 0.00 0.00 41.12 41.43 3iup n ASP 32 CO 0.00 0.00 0.00 -1.61 -0.39 0.00 0.00 177.20 175.20 3iup s GLU 33 N -1.73 1.98 0.14 -1.24 2.02 -0.06 -0.92 118.70 118.89 3iup s GLU 33 Ca 0.49 -1.69 0.06 0.00 0.02 0.00 0.00 54.97 53.84 3iup s GLU 33 Cb 0.30 -1.92 -0.04 0.00 0.10 0.00 0.00 34.13 32.58 3iup s GLU 33 CO 0.25 0.25 -0.13 0.14 0.02 0.00 0.00 175.26 175.79 3iup s VAL 34 N -2.48 1.33 -0.22 2.63 -7.23 0.24 -0.42 120.40 114.26 3iup s VAL 34 Ca 0.32 -1.87 -0.06 0.00 -1.81 0.00 0.00 61.98 58.56 3iup s VAL 34 Cb -0.03 -1.67 -0.03 0.00 0.56 0.00 0.00 36.38 35.21 3iup s VAL 34 CO 0.18 -0.53 0.04 -0.22 -0.31 0.00 0.00 175.10 174.26 3iup s LEU 35 N -2.74 3.41 -0.16 1.32 2.96 -0.04 -0.88 118.68 122.56 3iup s LEU 35 Ca 0.12 -0.17 -0.02 0.00 -0.22 0.00 0.00 54.13 53.85 3iup s LEU 35 Cb -0.02 -1.89 -0.02 0.00 0.50 0.00 0.00 46.19 44.76 3iup s LEU 35 CO 0.03 0.03 -0.08 -0.63 -1.32 0.00 0.00 176.35 174.39 3iup s ILE 36 N 1.20 3.43 -0.51 6.68 1.01 0.14 -0.61 121.20 132.54 3iup s ILE 36 Ca 0.04 -0.51 -0.26 0.00 0.00 0.00 0.00 60.65 59.92 3iup s ILE 36 Cb -0.14 -2.49 0.03 0.00 0.01 0.00 0.00 42.46 39.87 3iup s ILE 36 CO 0.02 0.49 0.98 -0.60 0.00 0.00 0.00 174.94 175.84 3iup s ARG 37 N 0.62 3.47 -0.08 2.79 3.52 0.07 -1.28 118.95 128.06 3iup s ARG 37 Ca -0.05 0.04 -0.30 0.00 -0.13 0.00 0.00 55.73 55.30 3iup s ARG 37 Cb -0.15 -3.98 -0.02 0.00 -1.56 0.00 0.00 34.95 29.24 3iup s ARG 37 CO 0.03 -1.40 1.03 0.42 -0.81 0.00 0.00 175.30 174.58 3iup s ILE 38 N 4.04 4.71 -0.32 4.11 1.01 -0.54 -1.70 121.20 132.51 3iup s ILE 38 Ca 0.36 1.97 0.03 0.00 0.00 0.00 0.00 60.65 63.02 3iup s ILE 38 Cb -0.10 -4.27 -0.00 0.00 0.01 0.00 0.00 42.46 38.10 3iup s ILE 38 CO 0.24 0.03 0.40 -0.62 0.00 0.00 0.00 174.94 174.99 3iup n GLU 39 N 4.84 2.44 -3.62 2.79 1.02 0.03 -3.67 120.64 124.46 3iup n GLU 39 Ca 0.09 -0.39 -0.04 0.00 -0.02 0.00 0.00 57.16 56.80 3iup n GLU 39 Cb 0.49 -0.88 -0.06 0.00 -0.02 0.00 0.00 31.44 30.97 3iup n GLU 39 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3iup s ALA 40 N -0.76 -2.06 -0.21 0.62 0.00 -0.97 -4.28 121.76 114.10 3iup s ALA 40 Ca 0.03 2.34 -0.09 0.00 0.00 0.00 0.00 51.96 54.25 3iup s ALA 40 Cb 0.03 -1.64 0.08 0.00 0.00 0.00 0.00 23.12 21.59 3iup s ALA 40 CO 0.09 -0.62 0.47 0.45 0.00 0.00 0.00 175.76 176.14 3iup s SER 41 N 2.12 -0.49 0.52 0.00 0.15 0.69 -0.32 113.70 116.37 3iup s SER 41 Ca -0.08 1.08 -0.17 0.00 0.70 0.00 0.00 55.95 57.47 3iup s SER 41 Cb -0.07 1.29 -0.07 0.00 -1.71 0.00 0.00 66.02 65.46 3iup s SER 41 CO -0.19 -0.22 1.01 -2.16 1.20 0.00 0.00 173.24 172.88 3iup s PRO 42 N 2.21 3.78 -0.86 5.44 0.04 -1.26 -1.09 135.00 143.26 3iup s PRO 42 Ca -0.05 1.10 -0.16 0.00 0.04 0.00 0.00 61.00 61.93 3iup s PRO 42 Cb -0.10 -2.11 0.18 0.00 0.04 0.00 0.00 34.50 32.51 3iup s PRO 42 CO -0.14 -0.42 0.92 -0.51 0.04 0.00 0.00 177.00 176.89 3iup s LEU 43 N -4.01 5.95 0.42 -3.56 1.43 -0.87 -4.86 118.68 113.18 3iup s LEU 43 Ca 0.62 -2.35 -0.01 0.00 -1.03 0.00 0.00 54.13 51.36 3iup s LEU 43 Cb -0.12 -2.30 -0.02 0.00 0.03 0.00 0.00 46.19 43.78 3iup s LEU 43 CO 0.29 -0.81 0.66 0.20 0.23 0.00 0.00 176.35 176.92 3iup s ASN 44 N 2.87 6.13 0.37 2.29 0.01 -1.26 -4.56 114.94 120.80 3iup s ASN 44 Ca 0.24 0.55 0.14 0.00 -0.71 0.00 0.00 52.86 53.08 3iup s ASN 44 Cb -0.09 -1.95 0.96 0.00 0.41 0.00 0.00 41.25 40.59 3iup s ASN 44 CO -0.08 -0.51 1.81 -0.65 -1.51 0.00 0.00 177.10 176.15 3iup h PRO 45 N 0.47 0.52 -0.42 -0.60 0.11 -1.98 -0.29 132.00 129.81 3iup h PRO 45 Ca -0.48 -0.03 -0.07 0.00 0.11 0.00 0.00 66.00 65.53 3iup h PRO 45 Cb 1.23 -0.12 -0.02 0.00 0.11 0.00 0.00 31.00 32.20 3iup h PRO 45 CO 0.60 0.34 -0.02 0.66 -0.21 0.00 0.00 178.00 179.38 3iup h SER 46 N 0.53 0.66 -0.42 -2.05 4.64 -2.00 -1.26 113.55 113.65 3iup h SER 46 Ca 0.53 -0.15 -0.14 0.00 -0.47 0.00 0.00 61.79 61.56 3iup h SER 46 Cb 1.14 -0.17 -0.01 0.00 -0.31 0.00 0.00 62.40 63.04 3iup h SER 46 CO -0.27 0.74 -0.25 0.44 -0.87 0.00 0.00 176.83 176.62 3iup h ASP 47 N 0.64 0.98 -0.53 4.97 3.32 -1.48 -2.87 116.42 121.46 3iup h ASP 47 Ca 0.13 -0.39 -0.05 0.00 0.02 0.00 0.00 57.03 56.74 3iup h ASP 47 Cb 0.43 -0.27 -0.03 0.00 0.22 0.00 0.00 39.33 39.68 3iup h ASP 47 CO 0.02 1.17 0.15 -0.07 -1.72 0.00 0.00 179.24 178.79 3iup h LEU 48 N 0.81 0.83 -0.42 1.55 3.38 -0.81 0.20 115.31 120.85 3iup h LEU 48 Ca 0.10 -0.15 0.05 0.00 0.09 0.00 0.00 57.88 57.97 3iup h LEU 48 Cb 0.83 -0.22 -0.05 0.00 0.09 0.00 0.00 40.66 41.31 3iup h LEU 48 CO 0.07 0.81 0.14 1.23 0.09 0.00 0.00 178.44 180.78 3iup h GLY 49 N 1.00 0.53 1.30 0.83 0.00 -1.11 -1.67 103.07 103.95 3iup h GLY 49 Ca 0.19 -0.08 -0.24 0.00 0.00 0.00 0.00 47.33 47.20 3iup h GLY 49 CO -0.00 0.01 -0.92 -2.00 0.00 0.00 0.00 176.54 173.63 3iup h LEU 50 N 0.30 0.81 -0.08 3.11 5.85 -1.19 -0.23 115.31 123.89 3iup h LEU 50 Ca 0.20 -0.61 0.02 0.00 0.84 0.00 0.00 57.88 58.33 3iup h LEU 50 Cb 0.19 -0.25 -0.03 0.00 0.37 0.00 0.00 40.66 40.95 3iup h LEU 50 CO -0.21 1.40 -0.08 0.25 -0.34 0.00 0.00 178.44 179.47 3iup h LEU 51 N 0.40 -0.24 0.00 2.25 5.85 -0.41 -3.26 115.31 119.89 3iup h LEU 51 Ca -0.09 0.05 0.00 0.00 0.84 0.00 0.00 57.88 58.68 3iup h LEU 51 Cb 1.56 0.12 0.00 0.00 0.37 0.00 0.00 40.66 42.71 3iup h LEU 51 CO 0.18 -0.11 -1.04 0.49 -0.34 0.00 0.00 178.44 177.62 3iup n PHE 52 N -5.21 0.00 -1.46 1.25 3.72 -0.65 -4.84 117.46 110.27 3iup n PHE 52 Ca -0.04 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.36 3iup n PHE 52 Cb 0.13 -0.06 0.00 0.00 -0.94 0.00 0.00 39.48 38.61 3iup n PHE 52 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3iup n GLY 53 N 1.44 2.08 1.59 1.37 0.00 -0.10 -1.25 105.19 110.32 3iup n GLY 53 Ca 0.03 -0.26 0.04 0.00 0.00 0.00 0.00 46.02 45.83 3iup n GLY 53 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3iup n ALA 54 N 6.92 3.63 -1.75 4.61 0.00 -1.26 -4.91 120.51 127.74 3iup n ALA 54 Ca 0.00 -1.50 -0.41 0.00 0.00 0.00 0.00 53.44 51.53 3iup n ALA 54 Cb 0.00 -1.11 0.01 0.00 0.00 0.00 0.00 19.45 18.35 3iup n ALA 54 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3iup n ALA 55 N 0.43 2.03 -1.83 0.00 0.00 -0.38 -4.20 120.51 116.57 3iup n ALA 55 Ca 0.22 0.31 -0.30 0.00 0.00 0.00 0.00 53.44 53.67 3iup n ALA 55 Cb 1.00 -2.38 0.19 0.00 0.00 0.00 0.00 19.45 18.26 3iup n ALA 55 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 3iup s ASP 56 N -0.30 2.88 0.00 0.00 -1.08 -0.29 -4.96 116.67 112.92 3iup s ASP 56 Ca 0.57 0.33 0.00 0.00 -0.52 0.00 0.00 52.55 52.92 3iup s ASP 56 Cb -0.48 -0.41 0.00 0.00 -1.46 0.00 0.00 42.92 40.57 3iup s ASP 56 CO 0.61 -2.88 0.00 -1.54 0.52 0.00 0.00 175.17 171.88 3iup n SER 58 N -3.88 0.00 -0.54 -0.34 3.41 -1.26 -4.05 113.62 106.96 3iup n SER 58 Ca 0.15 0.00 0.12 0.00 -0.26 0.00 0.00 58.87 58.88 3iup n SER 58 Cb 0.59 -0.10 0.44 0.00 -0.26 0.00 0.00 64.21 64.88 3iup n SER 58 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 3iup n THR 59 N -0.20 0.10 -2.15 6.66 -2.24 -1.26 -4.98 114.28 110.21 3iup n THR 59 Ca 0.00 -0.31 -0.39 0.00 -2.27 0.00 0.00 64.05 61.08 3iup n THR 59 Cb 0.00 0.48 -0.01 0.00 -2.10 0.00 0.00 70.33 68.70 3iup n THR 59 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3iup s ALA 60 N -1.90 3.23 0.01 6.98 0.00 -1.26 -4.60 121.76 124.23 3iup s ALA 60 Ca 0.35 1.13 0.02 0.00 0.00 0.00 0.00 51.96 53.46 3iup s ALA 60 Cb 0.19 -3.44 -0.01 0.00 0.00 0.00 0.00 23.12 19.86 3iup s ALA 60 CO 0.30 -0.69 -0.07 0.15 0.00 0.00 0.00 175.76 175.45 3iup s LYS 61 N -2.22 0.54 -0.09 0.00 1.02 -0.06 -4.98 119.74 113.95 3iup s LYS 61 Ca 0.56 -0.38 -0.12 0.00 0.02 0.00 0.00 55.97 56.06 3iup s LYS 61 Cb -0.35 -0.48 -0.05 0.00 -0.52 0.00 0.00 37.83 36.43 3iup s LYS 61 CO 0.45 0.12 0.28 0.00 -0.92 0.00 0.00 175.35 175.28 3iup s ALA 62 N -0.47 3.74 0.00 5.17 0.00 -1.26 -1.44 121.76 127.49 3iup s ALA 62 Ca -0.00 -0.44 0.00 0.00 0.00 0.00 0.00 51.96 51.52 3iup s ALA 62 Cb -0.04 -2.23 0.00 0.00 0.00 0.00 0.00 23.12 20.84 3iup s ALA 62 CO 0.00 0.43 0.00 -1.13 0.00 0.00 0.00 175.76 175.06 3iup n SER 63 N 2.34 0.04 -0.09 0.00 3.41 0.43 -5.00 113.62 114.76 3iup n SER 63 Ca -0.16 -0.09 0.00 0.00 -0.26 0.00 0.00 58.87 58.36 3iup n SER 63 Cb 0.53 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.48 3iup n SER 63 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3iup n GLY 64 N 0.11 -1.19 3.70 5.00 0.00 -1.26 -1.76 105.19 109.78 3iup n GLY 64 Ca 0.00 -1.23 -0.25 0.00 0.00 0.00 0.00 46.02 44.54 3iup n GLY 64 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3iup s THR 65 N 0.00 2.42 0.26 2.61 -4.23 -0.73 -4.86 115.64 111.11 3iup s THR 65 Ca 0.00 -1.80 -0.03 0.00 -1.18 0.00 0.00 61.69 58.68 3iup s THR 65 Cb 0.00 -2.95 0.25 0.00 1.34 0.00 0.00 72.50 71.14 3iup s THR 65 CO 0.00 -0.07 1.87 0.00 -0.54 0.00 0.00 174.62 175.89 3iup h ALA 66 N 1.57 1.32 0.00 3.99 0.00 -1.99 -1.05 119.26 123.10 3iup h ALA 66 Ca -0.43 -0.02 -0.13 0.00 0.00 0.00 0.00 54.91 54.33 3iup h ALA 66 Cb 1.25 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 18.74 3iup h ALA 66 CO 0.70 0.39 -0.64 0.93 0.00 0.00 0.00 179.25 180.63 3iup h GLU 67 N 1.11 0.00 -2.09 0.00 5.08 -1.98 -3.38 114.58 113.32 3iup h GLU 67 Ca 0.41 0.00 -0.57 0.00 -1.00 0.00 0.00 59.36 58.20 3iup h GLU 67 Cb 0.17 0.00 -0.40 0.00 0.50 0.00 0.00 28.75 29.01 3iup h GLU 67 CO -0.17 0.64 -0.89 0.54 -1.00 0.00 0.00 179.01 178.13 3iup n ARG 68 N -3.35 1.58 -1.65 2.33 5.12 -0.86 -4.84 116.66 114.99 3iup n ARG 68 Ca 0.01 -3.89 -0.32 0.00 -1.93 0.00 0.00 57.85 51.72 3iup n ARG 68 Cb 0.75 -1.71 0.05 0.00 -1.16 0.00 0.00 32.46 30.39 3iup n ARG 68 CO 0.00 0.00 0.00 -1.25 -1.93 0.00 0.00 177.63 174.45 3iup s PRO 69 N -1.90 2.84 -0.03 5.56 0.04 -0.45 -1.77 135.00 139.30 3iup s PRO 69 Ca 0.38 1.16 0.02 0.00 0.04 0.00 0.00 61.00 62.60 3iup s PRO 69 Cb 0.18 -1.97 0.01 0.00 0.04 0.00 0.00 34.50 32.76 3iup s PRO 69 CO -0.07 -1.19 -0.06 0.42 0.04 0.00 0.00 177.00 176.14 3iup s ILE 70 N -2.72 0.60 -0.08 0.56 1.01 -0.72 -3.77 121.20 116.08 3iup s ILE 70 Ca 0.62 -0.24 0.04 0.00 0.00 0.00 0.00 60.65 61.08 3iup s ILE 70 Cb -0.17 -0.56 -0.00 0.00 0.01 0.00 0.00 42.46 41.74 3iup s ILE 70 CO 0.48 0.21 -0.23 -0.69 0.00 0.00 0.00 174.94 174.71 3iup s VAL 71 N 0.39 1.92 0.09 2.92 1.01 -0.28 -0.42 120.40 126.03 3iup s VAL 71 Ca -0.05 -0.96 0.09 0.00 0.00 0.00 0.00 61.98 61.06 3iup s VAL 71 Cb -0.09 -1.66 -0.03 0.00 0.00 0.00 0.00 36.38 34.60 3iup s VAL 71 CO 0.00 0.53 -0.22 0.42 0.00 0.00 0.00 175.10 175.83 3iup s THR 72 N 0.23 1.82 0.24 3.92 -4.23 -0.52 -0.07 115.64 117.02 3iup s THR 72 Ca -0.14 -1.49 -0.15 0.00 -1.18 0.00 0.00 61.69 58.74 3iup s THR 72 Cb -0.16 -1.63 0.01 0.00 1.34 0.00 0.00 72.50 72.06 3iup s THR 72 CO 0.07 0.06 0.51 0.00 -0.54 0.00 0.00 174.62 174.72 3iup s ALA 73 N -1.03 -0.51 -0.11 3.99 0.00 -0.66 -0.88 121.76 122.56 3iup s ALA 73 Ca 0.08 -0.66 -0.01 0.00 0.00 0.00 0.00 51.96 51.38 3iup s ALA 73 Cb -0.10 0.98 -0.03 0.00 0.00 0.00 0.00 23.12 23.98 3iup s ALA 73 CO 0.04 -0.86 -0.08 1.03 0.00 0.00 0.00 175.76 175.89 3iup s ARG 74 N -3.97 3.15 -0.12 0.00 0.52 -1.26 -0.49 118.95 116.78 3iup s ARG 74 Ca 0.18 -0.58 -0.22 0.00 -0.52 0.00 0.00 55.73 54.59 3iup s ARG 74 Cb -0.01 -2.68 -0.03 0.00 0.52 0.00 0.00 34.95 32.75 3iup s ARG 74 CO 0.06 0.43 0.66 0.08 0.02 0.00 0.00 175.30 176.55 3iup s VAL 75 N -0.19 5.04 0.60 3.52 1.01 0.74 -1.14 120.40 129.98 3iup s VAL 75 Ca 0.02 1.31 -0.19 0.00 0.00 0.00 0.00 61.98 63.12 3iup s VAL 75 Cb -0.13 -3.99 -0.03 0.00 0.00 0.00 0.00 36.38 32.23 3iup s VAL 75 CO 0.03 0.20 1.25 -2.84 0.00 0.00 0.00 175.10 173.74 3iup s PRO 76 N 1.25 2.86 0.24 2.72 0.02 -1.26 -4.89 135.00 135.93 3iup s PRO 76 Ca 0.33 1.95 -0.05 0.00 0.02 0.00 0.00 61.00 63.25 3iup s PRO 76 Cb -0.17 -1.94 0.42 0.00 0.02 0.00 0.00 34.50 32.83 3iup s PRO 76 CO 0.14 -1.33 1.73 1.49 -0.33 0.00 0.00 177.00 178.70 3iup h GLU 77 N 0.85 0.41 -0.01 5.54 4.81 -1.97 -0.33 114.58 123.88 3iup h GLU 77 Ca -0.51 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 58.70 3iup h GLU 77 Cb 1.31 -0.09 -0.00 0.00 0.63 0.00 0.00 28.75 30.60 3iup h GLU 77 CO 0.55 0.27 0.03 0.78 -0.73 0.00 0.00 179.01 179.91 3iup h GLY 78 N 0.42 0.00 -6.06 1.92 0.00 -2.02 -3.41 103.07 93.93 3iup h GLY 78 Ca 0.39 0.00 -0.77 0.00 0.00 0.00 0.00 47.33 46.95 3iup h GLY 78 CO -0.39 0.00 1.80 0.00 0.00 0.00 0.00 176.54 177.95 3iup n ALA 79 N -2.15 6.23 0.00 3.60 0.00 -0.14 -4.77 120.51 123.28 3iup n ALA 79 Ca -0.03 -4.34 0.00 0.00 0.00 0.00 0.00 53.44 49.07 3iup n ALA 79 Cb 0.11 -2.59 0.00 0.00 0.00 0.00 0.00 19.45 16.97 3iup n ALA 79 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 3iup n ARG 81 N 1.46 0.00 -0.12 0.00 0.63 -1.26 -4.86 116.66 112.50 3iup n ARG 81 Ca 0.51 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 57.44 3iup n ARG 81 Cb 0.27 0.00 0.00 0.00 0.45 0.00 0.00 32.46 33.18 3iup n ARG 81 CO 0.00 0.00 0.00 -1.13 -2.51 0.00 0.00 177.63 173.99 3iup n SER 82 N 0.00 1.43 0.00 6.15 3.41 -1.26 -4.71 113.62 118.64 3iup n SER 82 Ca 0.00 -1.27 0.00 0.00 -0.26 0.00 0.00 58.87 57.34 3iup n SER 82 Cb 0.00 -0.30 0.00 0.00 -0.26 0.00 0.00 64.21 63.65 3iup n SER 82 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3iup n ALA 84 N 1.70 0.00 0.45 7.33 0.00 -1.26 -4.92 120.51 123.81 3iup n ALA 84 Ca 0.00 0.00 0.11 0.00 0.00 0.00 0.00 53.44 53.55 3iup n ALA 84 Cb 0.14 0.00 0.46 0.00 0.00 0.00 0.00 19.45 20.05 3iup n ALA 84 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3iup n GLY 85 N 0.00 -1.30 0.20 0.00 0.00 -1.26 -2.59 105.19 100.24 3iup n GLY 85 Ca 0.00 0.05 0.02 0.00 0.00 0.00 0.00 46.02 46.09 3iup n GLY 85 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 3iup n ARG 86 N -2.13 2.20 -1.70 1.61 1.85 -1.26 -5.00 116.66 112.23 3iup n ARG 86 Ca 0.03 -1.47 -0.44 0.00 -1.00 0.00 0.00 57.85 54.97 3iup n ARG 86 Cb 0.25 -1.09 -0.03 0.00 -1.05 0.00 0.00 32.46 30.54 3iup n ARG 86 CO 0.00 0.00 0.00 1.28 -0.01 0.00 0.00 177.63 178.90 3iup n LEU 87 N -0.08 3.63 -0.78 2.89 4.77 -1.07 -1.90 117.00 124.47 3iup n LEU 87 Ca 0.04 1.08 -0.10 0.00 -0.03 0.00 0.00 56.01 57.00 3iup n LEU 87 Cb 0.26 -1.51 -0.04 0.00 -2.33 0.00 0.00 43.42 39.80 3iup n LEU 87 CO 0.03 -0.04 -0.10 0.47 -1.33 0.00 0.00 177.39 176.42 3iup n ASP 88 N 3.45 -4.87 -4.79 -1.43 8.00 0.74 -4.92 116.55 112.74 3iup n ASP 88 Ca 0.15 0.25 -0.36 0.00 0.71 0.00 0.00 54.79 55.55 3iup n ASP 88 Cb 0.32 -3.27 -0.07 0.00 -0.02 0.00 0.00 41.12 38.09 3iup n ASP 88 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3iup s ALA 89 N -2.16 3.75 0.81 2.24 0.00 -0.80 -5.01 121.76 120.59 3iup s ALA 89 Ca 0.00 -0.67 -0.07 0.00 0.00 0.00 0.00 51.96 51.21 3iup s ALA 89 Cb 0.00 -2.06 0.15 0.00 0.00 0.00 0.00 23.12 21.20 3iup s ALA 89 CO 0.00 0.36 1.12 0.45 0.00 0.00 0.00 175.76 177.69 3iup s SER 90 N -0.23 3.92 0.19 0.00 0.15 -1.26 -4.17 113.70 112.30 3iup s SER 90 Ca 0.11 -0.04 0.07 0.00 0.70 0.00 0.00 55.95 56.79 3iup s SER 90 Cb -0.11 -0.24 -0.05 0.00 -1.71 0.00 0.00 66.02 63.91 3iup s SER 90 CO 0.01 -2.17 -0.14 -2.84 1.20 0.00 0.00 173.24 169.29 3iup s PRO 92 N -5.44 1.28 0.04 5.44 0.02 -1.26 -4.85 135.00 130.23 3iup s PRO 92 Ca 0.69 -1.54 0.02 0.00 0.02 0.00 0.00 61.00 60.19 3iup s PRO 92 Cb -0.05 -1.07 -0.02 0.00 0.02 0.00 0.00 34.50 33.37 3iup s PRO 92 CO 0.48 0.18 -0.07 0.08 -0.33 0.00 0.00 177.00 177.33 3iup s VAL 93 N -2.88 0.53 0.00 3.83 1.01 -1.26 -4.67 120.40 116.96 3iup s VAL 93 Ca 0.20 -1.13 0.00 0.00 0.00 0.00 0.00 61.98 61.06 3iup s VAL 93 Cb -0.01 -0.66 0.00 0.00 0.00 0.00 0.00 36.38 35.71 3iup s VAL 93 CO 0.06 -0.42 0.00 0.61 0.00 0.00 0.00 175.10 175.35 3iup n GLY 94 N 1.37 1.77 0.18 4.51 0.00 -1.26 -1.43 105.19 110.33 3iup n GLY 94 Ca -0.22 -0.86 -0.11 0.00 0.00 0.00 0.00 46.02 44.83 3iup n GLY 94 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 3iup h ASN 95 N 0.00 0.53 -5.12 1.61 2.35 -1.90 -1.96 115.58 111.10 3iup h ASN 95 Ca 0.00 -0.30 -0.14 0.00 -0.55 0.00 0.00 56.30 55.31 3iup h ASN 95 Cb 0.00 -0.14 -0.16 0.00 0.05 0.00 0.00 38.32 38.07 3iup h ASN 95 CO 0.00 0.70 -0.69 -1.83 -1.65 0.00 0.00 177.43 173.96 3iup s GLU 96 N -5.03 0.58 -0.01 0.81 -1.05 -1.26 -1.31 118.70 111.44 3iup s GLU 96 Ca -0.13 -1.12 -0.11 0.00 -0.15 0.00 0.00 54.97 53.46 3iup s GLU 96 Cb 0.08 0.14 0.04 0.00 -0.44 0.00 0.00 34.13 33.95 3iup s GLU 96 CO 0.76 -0.09 0.50 0.41 0.95 0.00 0.00 175.26 177.80 3iup n GLY 97 N 0.38 0.49 3.16 -3.83 0.00 -0.49 -4.18 105.19 100.70 3iup n GLY 97 Ca -0.16 -0.92 -0.10 0.00 0.00 0.00 0.00 46.02 44.85 3iup n GLY 97 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3iup s ALA 98 N -1.40 -0.19 0.00 4.61 0.00 0.56 -0.91 121.76 124.43 3iup s ALA 98 Ca 0.12 -0.47 0.00 0.00 0.00 0.00 0.00 51.96 51.61 3iup s ALA 98 Cb -0.00 0.30 0.00 0.00 0.00 0.00 0.00 23.12 23.41 3iup s ALA 98 CO -0.00 -0.37 0.00 0.41 0.00 0.00 0.00 175.76 175.80 3iup n GLY 99 N 0.59 0.95 3.39 0.00 0.00 -0.44 -0.79 105.19 108.88 3iup n GLY 99 Ca -0.18 -0.59 -0.33 0.00 0.00 0.00 0.00 46.02 44.92 3iup n GLY 99 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3iup s VAL 100 N -2.03 2.97 -0.16 1.61 1.01 -0.69 -0.85 120.40 122.26 3iup s VAL 100 Ca 0.00 -0.71 -0.29 0.00 0.00 0.00 0.00 61.98 60.97 3iup s VAL 100 Cb 0.00 -2.21 -0.01 0.00 0.00 0.00 0.00 36.38 34.16 3iup s VAL 100 CO 0.00 0.55 1.23 -0.69 0.00 0.00 0.00 175.10 176.19 3iup s VAL 101 N 0.00 4.32 -0.13 2.92 1.01 -0.12 -0.75 120.40 127.65 3iup s VAL 101 Ca -0.04 1.60 0.11 0.00 0.00 0.00 0.00 61.98 63.65 3iup s VAL 101 Cb -0.14 -4.03 -0.17 0.00 0.00 0.00 0.00 36.38 32.04 3iup s VAL 101 CO 0.04 -0.13 0.30 1.33 0.00 0.00 0.00 175.10 176.65 3iup n VAL 102 N 5.28 0.00 -3.86 2.92 0.24 0.22 -1.44 118.33 121.69 3iup n VAL 102 Ca 0.13 -0.26 -0.11 0.00 -2.04 0.00 0.00 64.34 62.06 3iup n VAL 102 Cb 0.45 0.41 -0.11 0.00 -1.47 0.00 0.00 33.84 33.12 3iup n VAL 102 CO 0.00 0.00 0.00 -1.61 -2.14 0.00 0.00 176.83 173.08 3iup s GLU 103 N -2.63 0.34 -0.01 7.34 2.02 -1.15 -4.94 118.70 119.67 3iup s GLU 103 Ca -0.02 -0.17 0.02 0.00 0.02 0.00 0.00 54.97 54.81 3iup s GLU 103 Cb 0.08 0.14 -0.00 0.00 0.10 0.00 0.00 34.13 34.44 3iup s GLU 103 CO 0.47 -0.07 -0.07 0.00 0.02 0.00 0.00 175.26 175.62 3iup s ALA 104 N -0.79 0.55 1.03 5.21 0.00 -1.26 -0.86 121.76 125.64 3iup s ALA 104 Ca -0.09 -0.28 -0.14 0.00 0.00 0.00 0.00 51.96 51.45 3iup s ALA 104 Cb -0.05 -0.14 0.20 0.00 0.00 0.00 0.00 23.12 23.13 3iup s ALA 104 CO 0.01 0.13 1.13 0.20 0.00 0.00 0.00 175.76 177.23 3iup s GLY 105 N -0.14 1.59 0.55 0.00 0.00 0.44 -4.87 107.32 104.88 3iup s GLY 105 Ca 0.02 -0.63 0.32 0.00 0.00 0.00 0.00 44.72 44.43 3iup s GLY 105 CO -0.00 0.05 2.07 1.48 0.00 0.00 0.00 173.10 176.70 3iup h SER 106 N -1.95 0.00 -4.13 1.64 4.64 -1.77 -3.27 113.55 108.71 3iup h SER 106 Ca -0.50 0.00 -0.53 0.00 -0.47 0.00 0.00 61.79 60.29 3iup h SER 106 Cb 1.32 0.00 0.13 0.00 -0.31 0.00 0.00 62.40 63.53 3iup h SER 106 CO 0.52 0.08 0.44 -0.94 -0.87 0.00 0.00 176.83 176.05 3iup s SER 107 N -5.84 4.88 0.34 4.97 1.04 -0.62 -4.74 113.70 113.74 3iup s SER 107 Ca -0.02 2.34 0.03 0.00 0.48 0.00 0.00 55.95 58.79 3iup s SER 107 Cb 0.11 -2.59 0.63 0.00 0.10 0.00 0.00 66.02 64.27 3iup s SER 107 CO 0.55 -1.80 1.94 -0.65 0.98 0.00 0.00 173.24 174.26 3iup h PRO 108 N 0.44 0.67 -0.37 4.02 0.11 -1.88 0.05 132.00 135.02 3iup h PRO 108 Ca -0.49 -0.09 0.05 0.00 0.11 0.00 0.00 66.00 65.58 3iup h PRO 108 Cb 1.29 -0.12 -0.04 0.00 0.11 0.00 0.00 31.00 32.23 3iup h PRO 108 CO 0.53 0.55 0.11 0.00 -0.21 0.00 0.00 178.00 178.98 3iup h ALA 109 N 1.55 0.42 -0.20 -0.75 0.00 -1.92 -0.92 119.26 117.44 3iup h ALA 109 Ca 0.16 0.06 -0.09 0.00 0.00 0.00 0.00 54.91 55.04 3iup h ALA 109 Cb 0.13 0.05 -0.00 0.00 0.00 0.00 0.00 17.79 17.96 3iup h ALA 109 CO -0.02 -0.29 -0.22 0.00 0.00 0.00 0.00 179.25 178.73 3iup h ALA 110 N 1.26 0.29 -0.51 0.00 0.00 -1.73 -3.12 119.26 115.44 3iup h ALA 110 Ca 0.17 -0.36 0.05 0.00 0.00 0.00 0.00 54.91 54.77 3iup h ALA 110 Cb 0.17 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 17.87 3iup h ALA 110 CO -0.20 0.24 0.34 1.96 0.00 0.00 0.00 179.25 181.59 3iup h GLN 111 N 0.16 0.50 0.00 0.00 1.08 -0.89 -1.15 115.11 114.82 3iup h GLN 111 Ca 0.03 -0.03 0.00 0.00 -1.45 0.00 0.00 58.65 57.20 3iup h GLN 111 Cb 0.77 -0.11 0.00 0.00 -0.05 0.00 0.00 27.48 28.09 3iup h GLN 111 CO 0.05 0.33 0.00 0.00 -0.95 0.00 0.00 178.83 178.26 3iup h ALA 112 N 1.72 1.00 -2.81 3.87 0.00 -1.10 -3.47 119.26 118.46 3iup h ALA 112 Ca 0.21 0.00 -0.59 0.00 0.00 0.00 0.00 54.91 54.53 3iup h ALA 112 Cb 0.20 0.00 -0.10 0.00 0.00 0.00 0.00 17.79 17.89 3iup h ALA 112 CO -0.06 0.00 -0.11 -0.51 0.00 0.00 0.00 179.25 178.58 3iup s LEU 113 N -5.77 4.19 0.00 0.00 1.43 -0.44 -4.90 118.68 113.19 3iup s LEU 113 Ca -0.00 0.68 0.00 0.00 -1.03 0.00 0.00 54.13 53.78 3iup s LEU 113 Cb 0.10 -2.66 0.00 0.00 0.03 0.00 0.00 46.19 43.66 3iup s LEU 113 CO 0.46 -0.10 0.00 0.61 0.23 0.00 0.00 176.35 177.55 3iup n GLY 115 N 3.69 0.00 3.86 -3.19 0.00 -0.52 -4.62 105.19 104.41 3iup n GLY 115 Ca -0.06 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.65 3iup n GLY 115 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3iup s LYS 116 N 0.00 3.75 -0.21 1.61 -0.14 -1.26 -4.66 119.74 118.82 3iup s LYS 116 Ca 0.00 0.76 -0.18 0.00 -1.36 0.00 0.00 55.97 55.18 3iup s LYS 116 Cb 0.00 -2.16 -0.03 0.00 -1.68 0.00 0.00 37.83 33.96 3iup s LYS 116 CO 0.00 -0.37 0.53 0.99 -0.76 0.00 0.00 175.35 175.73 3iup s THR 117 N -2.85 5.09 0.09 2.17 2.01 -1.26 -0.95 115.64 119.95 3iup s THR 117 Ca 0.56 0.95 0.02 0.00 0.31 0.00 0.00 61.69 63.53 3iup s THR 117 Cb -0.10 -3.85 -0.04 0.00 0.01 0.00 0.00 72.50 68.52 3iup s THR 117 CO 0.42 0.15 -0.07 0.68 -0.69 0.00 0.00 174.62 175.12 3iup s VAL 118 N 1.79 0.68 0.16 3.82 -7.23 -0.03 -1.51 120.40 118.07 3iup s VAL 118 Ca 0.24 -1.88 0.09 0.00 -1.81 0.00 0.00 61.98 58.61 3iup s VAL 118 Cb -0.15 -1.62 -0.04 0.00 0.56 0.00 0.00 36.38 35.13 3iup s VAL 118 CO 0.09 -0.85 -0.14 0.00 -0.31 0.00 0.00 175.10 173.90 3iup s ALA 119 N -3.50 2.82 -0.03 1.32 0.00 -0.03 -1.33 121.76 121.01 3iup s ALA 119 Ca 0.10 -1.44 -0.16 0.00 0.00 0.00 0.00 51.96 50.47 3iup s ALA 119 Cb 0.04 -0.68 0.03 0.00 0.00 0.00 0.00 23.12 22.51 3iup s ALA 119 CO -0.05 0.52 0.34 0.00 0.00 0.00 0.00 175.76 176.57 3iup s ALA 120 N -1.49 -0.87 -0.74 0.00 0.00 -0.09 -0.49 121.76 118.08 3iup s ALA 120 Ca 0.22 0.49 0.02 0.00 0.00 0.00 0.00 51.96 52.69 3iup s ALA 120 Cb -0.09 -0.02 0.35 0.00 0.00 0.00 0.00 23.12 23.35 3iup s ALA 120 CO 0.13 -0.26 1.37 1.51 0.00 0.00 0.00 175.76 178.51 3iup n ILE 121 N 1.45 4.04 1.69 0.00 3.06 -1.26 -1.40 119.36 126.93 3iup n ILE 121 Ca -0.20 -5.50 0.15 0.00 -2.50 0.00 0.00 62.75 54.70 3iup n ILE 121 Cb 0.56 -1.41 0.70 0.00 0.54 0.00 0.00 39.64 40.03 3iup n ILE 121 CO 0.00 0.00 0.00 0.61 -2.50 0.00 0.00 176.55 174.66 3iup n GLY 122 N -0.25 -0.53 1.11 4.50 0.00 -1.07 -4.85 105.19 104.11 3iup n GLY 122 Ca 0.40 -0.32 0.14 0.00 0.00 0.00 0.00 46.02 46.24 3iup n GLY 122 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3iup n GLY 123 N 1.12 -2.55 2.47 -0.02 0.00 -0.43 -5.05 105.19 100.73 3iup n GLY 123 Ca 0.20 -1.19 -0.01 0.00 0.00 0.00 0.00 46.02 45.02 3iup n GLY 123 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3iup n ALA 124 N -3.19 -1.86 -2.67 4.61 0.00 -0.73 -4.89 120.51 111.78 3iup n ALA 124 Ca -0.03 0.67 -0.08 0.00 0.00 0.00 0.00 53.44 53.99 3iup n ALA 124 Cb 0.52 -1.71 0.00 0.00 0.00 0.00 0.00 19.45 18.26 3iup n ALA 124 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 3iup n TYR 126 N 2.02 -0.64 -3.68 0.00 4.01 -0.51 -4.83 117.16 113.53 3iup n TYR 126 Ca -0.09 0.26 -0.15 0.00 -0.16 0.00 0.00 57.90 57.77 3iup n TYR 126 Cb 0.14 -0.76 -0.08 0.00 -0.31 0.00 0.00 39.34 38.33 3iup n TYR 126 CO 0.00 0.00 0.00 -1.12 -0.46 0.00 0.00 176.86 175.28 3iup s SER 127 N -1.93 -0.45 0.20 7.72 0.01 -1.26 -1.32 113.70 116.67 3iup s SER 127 Ca 0.02 0.62 -0.07 0.00 1.31 0.00 0.00 55.95 57.84 3iup s SER 127 Cb -0.00 0.66 0.14 0.00 0.21 0.00 0.00 66.02 67.03 3iup s SER 127 CO 0.27 -0.38 1.65 1.56 0.41 0.00 0.00 173.24 176.75 3iup h GLN 128 N 4.24 0.94 -3.81 12.44 4.20 -1.46 -3.39 115.11 128.26 3iup h GLN 128 Ca -0.28 -0.32 -0.27 0.00 0.06 0.00 0.00 58.65 57.84 3iup h GLN 128 Cb 1.17 -0.07 -0.30 0.00 0.30 0.00 0.00 27.48 28.58 3iup h GLN 128 CO 0.31 0.98 -0.73 0.71 -0.67 0.00 0.00 178.83 179.43 3iup s TYR 129 N -4.87 0.13 -0.05 2.96 2.02 -1.26 -1.47 117.35 114.81 3iup s TYR 129 Ca -0.11 0.00 0.02 0.00 -0.37 0.00 0.00 57.07 56.62 3iup s TYR 129 Cb 0.14 -0.15 0.01 0.00 -0.40 0.00 0.00 41.96 41.56 3iup s TYR 129 CO 0.85 -0.03 -0.10 1.03 -1.57 0.00 0.00 175.55 175.72 3iup s ARG 130 N 0.27 1.29 -0.38 -0.62 1.81 -0.40 -4.96 118.95 115.96 3iup s ARG 130 Ca -0.02 -0.33 -0.16 0.00 -1.72 0.00 0.00 55.73 53.50 3iup s ARG 130 Cb -0.04 -1.14 0.00 0.00 -0.45 0.00 0.00 34.95 33.33 3iup s ARG 130 CO -0.01 0.04 0.39 0.00 -0.68 0.00 0.00 175.30 175.04 3iup s ILE 132 N 2.03 0.43 0.38 0.00 -4.36 -0.06 -4.96 121.20 114.66 3iup s ILE 132 Ca 0.11 -1.51 -0.28 0.00 -0.26 0.00 0.00 60.65 58.71 3iup s ILE 132 Cb -0.17 -1.13 -0.11 0.00 1.25 0.00 0.00 42.46 42.30 3iup s ILE 132 CO 0.12 -0.72 1.49 -2.84 0.24 0.00 0.00 174.94 173.24 3iup s PRO 133 N -2.89 4.10 0.42 0.37 0.02 -1.26 -0.59 135.00 135.17 3iup s PRO 133 Ca 0.00 2.59 0.14 0.00 0.02 0.00 0.00 61.00 63.75 3iup s PRO 133 Cb -0.00 -2.96 1.01 0.00 0.02 0.00 0.00 34.50 32.56 3iup s PRO 133 CO -0.04 -0.55 1.95 0.00 -0.33 0.00 0.00 177.00 178.03 3iup h ALA 134 N 2.98 2.03 0.00 -1.55 0.00 -1.33 -1.49 119.26 119.90 3iup h ALA 134 Ca -0.51 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.39 3iup h ALA 134 Cb 1.24 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.95 3iup h ALA 134 CO 0.64 -0.19 0.00 -0.40 0.00 0.00 0.00 179.25 179.30 3iup n ASP 135 N -4.48 0.00 -0.92 0.00 5.68 -1.26 -2.24 116.55 113.33 3iup n ASP 135 Ca 0.12 0.13 0.10 0.00 -0.50 0.00 0.00 54.79 54.64 3iup n ASP 135 Cb 0.43 -0.35 0.27 0.00 -1.14 0.00 0.00 41.12 40.33 3iup n ASP 135 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 3iup n GLN 136 N -1.35 2.18 -4.16 0.11 6.02 -0.56 -4.93 117.38 114.69 3iup n GLN 136 Ca 0.08 -1.81 -0.35 0.00 -0.01 0.00 0.00 57.00 54.91 3iup n GLN 136 Cb 0.19 -1.44 -0.09 0.00 1.02 0.00 0.00 30.24 29.92 3iup n GLN 136 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 3iup s LEU 138 N -0.52 4.27 0.10 0.00 2.96 0.36 -4.95 118.68 120.91 3iup s LEU 138 Ca 0.10 -0.81 -0.31 0.00 -0.22 0.00 0.00 54.13 52.89 3iup s LEU 138 Cb -0.12 -1.96 -0.08 0.00 0.50 0.00 0.00 46.19 44.53 3iup s LEU 138 CO 0.02 -0.27 1.37 -0.69 -1.32 0.00 0.00 176.35 175.46 3iup s VAL 139 N 1.54 3.40 0.49 1.68 1.01 -1.26 -0.85 120.40 126.41 3iup s VAL 139 Ca 0.02 1.00 -0.08 0.00 0.00 0.00 0.00 61.98 62.92 3iup s VAL 139 Cb -0.18 -3.64 -0.05 0.00 0.00 0.00 0.00 36.38 32.51 3iup s VAL 139 CO 0.05 0.07 0.84 -0.76 0.00 0.00 0.00 175.10 175.31 3iup s LEU 140 N 1.15 3.59 0.60 3.92 1.43 -0.57 -4.93 118.68 123.86 3iup s LEU 140 Ca 0.64 1.11 -0.19 0.00 -1.03 0.00 0.00 54.13 54.66 3iup s LEU 140 Cb -0.36 -4.06 -0.03 0.00 0.03 0.00 0.00 46.19 41.76 3iup s LEU 140 CO 0.30 -0.60 1.20 -2.84 0.23 0.00 0.00 176.35 174.64 3iup s PRO 141 N -4.59 2.96 0.21 1.29 0.02 -1.26 -4.89 135.00 128.74 3iup s PRO 141 Ca 0.50 1.81 -0.32 0.00 0.02 0.00 0.00 61.00 63.01 3iup s PRO 141 Cb -0.10 -1.93 -0.15 0.00 0.02 0.00 0.00 34.50 32.34 3iup s PRO 141 CO 0.43 -1.21 1.23 -1.91 -0.33 0.00 0.00 177.00 175.21 3iup n GLU 142 N -1.63 1.49 -0.23 5.54 4.07 -1.26 -0.88 120.64 127.74 3iup n GLU 142 Ca 0.13 0.53 0.00 0.00 -0.06 0.00 0.00 57.16 57.77 3iup n GLU 142 Cb 0.50 -2.07 0.00 0.00 -0.06 0.00 0.00 31.44 29.81 3iup n GLU 142 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 3iup n GLY 143 N 1.96 1.81 3.70 8.31 0.00 -1.26 -5.02 105.19 114.69 3iup n GLY 143 Ca 0.13 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.74 3iup n GLY 143 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3iup s ALA 144 N -2.98 3.33 0.70 4.61 0.00 -0.05 -5.06 121.76 122.31 3iup s ALA 144 Ca 0.00 0.25 -0.11 0.00 0.00 0.00 0.00 51.96 52.09 3iup s ALA 144 Cb 0.00 -3.17 0.01 0.00 0.00 0.00 0.00 23.12 19.96 3iup s ALA 144 CO 0.00 -0.31 1.09 0.95 0.00 0.00 0.00 175.76 177.49 3iup s THR 145 N 1.29 3.60 0.25 0.00 -4.23 -1.26 -4.90 115.64 110.39 3iup s THR 145 Ca 0.43 0.52 -0.03 0.00 -1.18 0.00 0.00 61.69 61.43 3iup s THR 145 Cb -0.18 -3.51 0.23 0.00 1.34 0.00 0.00 72.50 70.38 3iup s THR 145 CO 0.20 -0.68 1.72 -0.65 -0.54 0.00 0.00 174.62 174.67 3iup h PRO 146 N -0.63 0.41 -0.91 3.99 0.11 -1.91 -1.21 132.00 131.86 3iup h PRO 146 Ca -0.45 -0.02 0.06 0.00 0.11 0.00 0.00 66.00 65.69 3iup h PRO 146 Cb 1.25 -0.09 -0.06 0.00 0.11 0.00 0.00 31.00 32.21 3iup h PRO 146 CO 0.64 0.27 0.59 0.00 -0.21 0.00 0.00 178.00 179.29 3iup h ALA 147 N 1.59 1.48 -0.14 -0.75 0.00 -1.91 0.93 119.26 120.46 3iup h ALA 147 Ca 0.44 -0.03 0.01 0.00 0.00 0.00 0.00 54.91 55.33 3iup h ALA 147 Cb 0.72 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 18.21 3iup h ALA 147 CO -0.44 0.40 0.09 -0.44 0.00 0.00 0.00 179.25 178.86 3iup h ASP 148 N 1.06 0.14 -0.33 0.00 3.32 -1.59 -2.98 116.42 116.04 3iup h ASP 148 Ca 0.38 -0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.43 3iup h ASP 148 Cb 0.14 -0.04 0.00 0.00 0.22 0.00 0.00 39.33 39.65 3iup h ASP 148 CO -0.13 0.10 0.00 0.61 -1.72 0.00 0.00 179.24 178.10 3iup n GLY 149 N -1.52 1.85 0.32 2.75 0.00 -0.47 -4.68 105.19 103.43 3iup n GLY 149 Ca -0.01 -0.49 0.02 0.00 0.00 0.00 0.00 46.02 45.54 3iup n GLY 149 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3iup h ALA 150 N 2.86 1.55 -2.06 4.61 0.00 -0.71 -3.10 119.26 122.41 3iup h ALA 150 Ca 0.00 -0.07 -0.60 0.00 0.00 0.00 0.00 54.91 54.24 3iup h ALA 150 Cb 0.76 -0.21 -0.42 0.00 0.00 0.00 0.00 17.79 17.92 3iup h ALA 150 CO 0.00 0.39 -0.62 0.43 0.00 0.00 0.00 179.25 179.44 3iup n SER 151 N -4.42 4.63 0.14 0.00 7.64 -1.26 -3.86 113.62 116.48 3iup n SER 151 Ca 0.05 -3.70 0.12 0.00 1.01 0.00 0.00 58.87 56.34 3iup n SER 151 Cb 0.08 -0.55 0.07 0.00 -1.01 0.00 0.00 64.21 62.80 3iup n SER 151 CO 0.00 0.00 0.00 0.28 -3.01 0.00 0.00 175.04 172.31 3iup h SER 152 N 2.90 0.00 0.00 6.43 0.02 -1.88 -3.41 113.55 117.61 3iup h SER 152 Ca 0.18 -0.01 0.00 0.00 -0.84 0.00 0.00 61.79 61.12 3iup h SER 152 Cb 0.60 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.14 3iup h SER 152 CO 0.84 0.01 -0.19 0.49 -1.14 0.00 0.00 176.83 176.84 3iup n PHE 153 N -2.76 0.00 0.37 3.45 3.72 -1.26 -4.51 117.46 116.48 3iup n PHE 153 Ca 0.01 0.00 -0.18 0.00 -0.05 0.00 0.00 57.45 57.24 3iup n PHE 153 Cb 0.54 -0.09 -0.09 0.00 -0.94 0.00 0.00 39.48 38.89 3iup n PHE 153 CO 0.00 0.00 0.00 0.28 -0.05 0.00 0.00 176.76 176.99 3iup h VAL 154 N -0.19 0.30 -0.03 -4.37 2.07 -1.96 -0.76 116.25 111.31 3iup h VAL 154 Ca 0.00 -0.07 -0.12 0.00 0.82 0.00 0.00 66.70 67.32 3iup h VAL 154 Cb 0.19 0.32 0.01 0.00 -1.52 0.00 0.00 31.29 30.28 3iup h VAL 154 CO 0.00 0.01 -0.47 0.78 0.02 0.00 0.00 177.57 177.91 3iup h ASN 155 N -0.98 0.46 -0.42 0.57 2.35 -1.89 -2.45 115.58 113.22 3iup h ASN 155 Ca -0.10 -0.72 -0.00 0.00 -0.55 0.00 0.00 56.30 54.93 3iup h ASN 155 Cb 0.73 -0.14 -0.02 0.00 0.05 0.00 0.00 38.32 38.94 3iup h ASN 155 CO 0.16 1.12 0.26 -0.65 -1.65 0.00 0.00 177.43 176.67 3iup h PRO 156 N -0.15 0.57 0.00 0.81 0.11 -1.78 -0.52 132.00 131.03 3iup h PRO 156 Ca -0.05 -0.05 -0.14 0.00 0.11 0.00 0.00 66.00 65.87 3iup h PRO 156 Cb 1.16 -0.12 -0.02 0.00 0.11 0.00 0.00 31.00 32.13 3iup h PRO 156 CO 0.09 0.41 -0.68 -0.07 -0.21 0.00 0.00 178.00 177.55 3iup h LEU 157 N 0.56 0.00 -0.27 2.35 3.38 -1.24 -1.41 115.31 118.68 3iup h LEU 157 Ca 0.15 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 58.06 3iup h LEU 157 Cb -0.02 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.72 3iup h LEU 157 CO -0.03 0.68 -0.08 0.74 0.09 0.00 0.00 178.44 179.84 3iup h THR 158 N 0.00 1.29 -0.12 0.22 2.02 -1.21 0.24 112.91 115.34 3iup h THR 158 Ca -0.01 -1.12 0.00 0.00 0.77 0.00 0.00 66.41 66.06 3iup h THR 158 Cb 1.22 1.45 -0.01 0.00 -1.74 0.00 0.00 68.15 69.07 3iup h THR 158 CO 0.09 0.35 0.08 0.00 0.37 0.00 0.00 175.52 176.41 3iup h ALA 159 N 0.77 0.16 -0.49 6.16 0.00 -0.94 -1.90 119.26 123.02 3iup h ALA 159 Ca 0.07 -0.02 -0.05 0.00 0.00 0.00 0.00 54.91 54.91 3iup h ALA 159 Cb 0.56 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.28 3iup h ALA 159 CO 0.03 -0.34 0.11 -0.07 0.00 0.00 0.00 179.25 178.97 3iup h LEU 160 N 0.15 0.69 -3.30 0.00 3.38 -1.27 -3.07 115.31 111.90 3iup h LEU 160 Ca 0.05 -0.12 0.00 0.00 0.09 0.00 0.00 57.88 57.90 3iup h LEU 160 Cb 0.00 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 40.57 3iup h LEU 160 CO -0.01 0.69 0.00 0.61 0.09 0.00 0.00 178.44 179.82 3iup n GLY 161 N -0.89 1.13 0.00 0.83 0.00 0.83 -1.04 105.19 106.04 3iup n GLY 161 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.05 3iup n GLY 161 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 3iup n VAL 163 N 1.61 0.00 -0.22 1.61 0.31 -1.16 -0.74 118.33 119.74 3iup n VAL 163 Ca 0.00 0.00 -0.06 0.00 -0.01 0.00 0.00 64.34 64.27 3iup n VAL 163 Cb 0.18 0.00 0.04 0.00 -0.91 0.00 0.00 33.84 33.15 3iup n VAL 163 CO 0.00 0.00 0.00 -0.08 -1.32 0.00 0.00 176.83 175.43 3iup h GLU 164 N 0.00 0.86 -1.77 5.55 4.57 -1.38 -1.78 114.58 120.63 3iup h GLU 164 Ca 0.00 -0.09 0.00 0.00 -1.18 0.00 0.00 59.36 58.09 3iup h GLU 164 Cb 0.00 -0.18 0.00 0.00 -0.16 0.00 0.00 28.75 28.41 3iup h GLU 164 CO 0.00 0.63 0.00 2.41 -1.18 0.00 0.00 179.01 180.87 3iup n THR 165 N -4.58 0.24 0.00 0.32 -1.04 0.08 -1.11 114.28 108.19 3iup n THR 165 Ca 0.04 -0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.05 3iup n THR 165 Cb 0.07 -0.62 0.00 0.00 -1.82 0.00 0.00 70.33 67.96 3iup n THR 165 CO 0.00 0.00 0.00 0.54 -0.64 0.00 0.00 175.07 174.97 3iup n ARG 167 N 0.88 0.00 0.08 -2.82 1.74 -0.67 -1.33 116.66 114.54 3iup n ARG 167 Ca 0.00 0.00 0.05 0.00 -0.77 0.00 0.00 57.85 57.13 3iup n ARG 167 Cb 0.12 0.00 0.48 0.00 -1.02 0.00 0.00 32.46 32.03 3iup n ARG 167 CO 0.00 0.00 0.00 -0.07 -1.52 0.00 0.00 177.63 176.04 3iup h LEU 168 N 0.00 0.33 -2.76 0.55 3.38 -1.38 -2.01 115.31 113.41 3iup h LEU 168 Ca 0.00 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.96 3iup h LEU 168 Cb 0.00 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 40.67 3iup h LEU 168 CO 0.00 0.26 0.00 -0.62 0.09 0.00 0.00 178.44 178.17 3iup n GLU 169 N -4.47 2.77 -0.65 1.13 1.02 -0.44 -4.94 120.64 115.04 3iup n GLU 169 Ca 0.01 -2.69 0.00 0.00 -0.02 0.00 0.00 57.16 54.46 3iup n GLU 169 Cb 0.08 -1.59 0.00 0.00 -0.02 0.00 0.00 31.44 29.91 3iup n GLU 169 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3iup n GLY 170 N 1.67 0.60 3.96 0.62 0.00 -0.76 -5.06 105.19 106.21 3iup n GLY 170 Ca 0.25 -0.67 -0.22 0.00 0.00 0.00 0.00 46.02 45.37 3iup n GLY 170 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3iup s HIS 171 N -2.00 3.41 -0.16 1.61 3.76 -1.26 -5.03 115.29 115.63 3iup s HIS 171 Ca 0.00 0.15 0.07 0.00 -0.15 0.00 0.00 55.06 55.13 3iup s HIS 171 Cb 0.00 -1.84 -0.09 0.00 1.11 0.00 0.00 32.58 31.76 3iup s HIS 171 CO 0.00 0.16 0.22 -1.13 -0.85 0.00 0.00 174.74 173.14 3iup n SER 172 N -1.68 1.95 -3.81 1.40 3.41 -1.26 -4.20 113.62 109.44 3iup n SER 172 Ca -0.05 -0.31 -0.10 0.00 -0.26 0.00 0.00 58.87 58.15 3iup n SER 172 Cb 0.57 1.17 -0.06 0.00 -0.26 0.00 0.00 64.21 65.63 3iup n SER 172 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3iup s ALA 173 N -2.09 -0.48 0.10 7.33 0.00 -1.26 -4.49 121.76 120.87 3iup s ALA 173 Ca -0.00 -0.48 -0.01 0.00 0.00 0.00 0.00 51.96 51.47 3iup s ALA 173 Cb 0.05 0.74 -0.04 0.00 0.00 0.00 0.00 23.12 23.87 3iup s ALA 173 CO 0.29 -0.65 0.03 -0.48 0.00 0.00 0.00 175.76 174.94 3iup s LEU 174 N -2.89 2.04 -0.01 0.00 2.34 -0.87 -3.28 118.68 116.01 3iup s LEU 174 Ca 0.09 -1.11 0.07 0.00 0.06 0.00 0.00 54.13 53.25 3iup s LEU 174 Cb 0.02 0.29 -0.02 0.00 -0.56 0.00 0.00 46.19 45.92 3iup s LEU 174 CO -0.06 -0.68 -0.23 -0.69 -1.06 0.00 0.00 176.35 173.64 3iup s VAL 175 N -3.99 2.37 -0.03 1.48 1.01 0.03 -0.99 120.40 120.29 3iup s VAL 175 Ca 0.17 -1.09 0.01 0.00 0.00 0.00 0.00 61.98 61.07 3iup s VAL 175 Cb 0.08 -1.89 0.02 0.00 0.00 0.00 0.00 36.38 34.59 3iup s VAL 175 CO -0.03 0.51 -0.01 -2.28 0.00 0.00 0.00 175.10 173.29 3iup s HIS 176 N -0.71 0.33 0.45 5.22 2.46 -0.16 -0.61 115.29 122.27 3iup s HIS 176 Ca 0.11 -0.02 0.08 0.00 0.47 0.00 0.00 55.06 55.70 3iup s HIS 176 Cb -0.10 -0.38 0.01 0.00 -0.13 0.00 0.00 32.58 31.98 3iup s HIS 176 CO 0.01 -0.11 0.54 0.95 -2.47 0.00 0.00 174.74 173.65 3iup s THR 177 N 0.83 2.69 -1.57 0.89 -4.23 -0.66 -1.06 115.64 112.53 3iup s THR 177 Ca -0.08 -1.13 -0.06 0.00 -1.18 0.00 0.00 61.69 59.23 3iup s THR 177 Cb -0.12 -2.82 0.06 0.00 1.34 0.00 0.00 72.50 70.96 3iup s THR 177 CO -0.01 0.00 0.36 0.00 -0.54 0.00 0.00 174.62 174.43 3iup n ALA 178 N -1.81 -1.78 0.53 3.99 0.00 -0.82 -4.40 120.51 116.20 3iup n ALA 178 Ca 0.07 -0.27 0.13 0.00 0.00 0.00 0.00 53.44 53.37 3iup n ALA 178 Cb 0.60 -1.73 0.44 0.00 0.00 0.00 0.00 19.45 18.77 3iup n ALA 178 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3iup n ALA 179 N -4.42 2.02 1.52 0.00 0.00 -0.46 -1.93 120.51 117.23 3iup n ALA 179 Ca -0.20 0.03 0.06 0.00 0.00 0.00 0.00 53.44 53.33 3iup n ALA 179 Cb 0.63 -1.44 0.26 0.00 0.00 0.00 0.00 19.45 18.90 3iup n ALA 179 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3iup n ALA 180 N -1.79 2.51 -0.75 0.00 0.00 -1.26 -3.22 120.51 116.00 3iup n ALA 180 Ca 0.04 -0.32 -0.30 0.00 0.00 0.00 0.00 53.44 52.87 3iup n ALA 180 Cb 0.35 -1.08 0.19 0.00 0.00 0.00 0.00 19.45 18.91 3iup n ALA 180 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 3iup s SER 181 N -1.27 2.34 0.24 0.00 1.04 -0.81 -4.62 113.70 110.62 3iup s SER 181 Ca 0.20 1.81 -0.06 0.00 0.48 0.00 0.00 55.95 58.38 3iup s SER 181 Cb 0.10 -2.40 0.32 0.00 0.10 0.00 0.00 66.02 64.14 3iup s SER 181 CO 0.15 -3.40 1.85 0.78 0.98 0.00 0.00 173.24 173.60 3iup h ASN 182 N -2.07 0.81 -0.20 7.02 4.21 -1.90 -0.19 115.58 123.25 3iup h ASN 182 Ca -0.51 0.02 0.01 0.00 1.21 0.00 0.00 56.30 57.02 3iup h ASN 182 Cb 1.29 -0.15 -0.01 0.00 -1.12 0.00 0.00 38.32 38.33 3iup h ASN 182 CO 0.47 0.52 0.12 0.25 -1.29 0.00 0.00 177.43 177.51 3iup h LEU 183 N 0.95 0.20 -1.19 1.61 6.46 -1.91 -3.04 115.31 118.39 3iup h LEU 183 Ca 0.37 -0.00 0.03 0.00 -0.12 0.00 0.00 57.88 58.16 3iup h LEU 183 Cb 0.17 -0.04 -0.05 0.00 -0.73 0.00 0.00 40.66 40.01 3iup h LEU 183 CO -0.17 0.15 0.56 1.23 -0.62 0.00 0.00 178.44 179.59 3iup h GLY 184 N 0.25 1.20 -1.26 3.75 0.00 -1.52 -0.98 103.07 104.51 3iup h GLY 184 Ca 0.08 -0.42 0.00 0.00 0.00 0.00 0.00 47.33 46.99 3iup h GLY 184 CO -0.03 0.37 0.00 -1.06 0.00 0.00 0.00 176.54 175.82 3iup n GLN 185 N -4.44 0.05 0.00 4.80 6.02 -0.15 -1.19 117.38 122.46 3iup n GLN 185 Ca 0.11 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 57.10 3iup n GLN 185 Cb 0.09 -1.14 0.00 0.00 1.02 0.00 0.00 30.24 30.21 3iup n GLN 185 CO 0.00 0.00 0.00 -0.11 -1.01 0.00 0.00 177.06 175.94 3iup n LEU 187 N 0.61 0.00 -0.27 1.08 7.94 -0.37 -2.06 117.00 123.93 3iup n LEU 187 Ca 0.00 0.00 -0.01 0.00 -1.11 0.00 0.00 56.01 54.89 3iup n LEU 187 Cb 0.02 0.00 0.11 0.00 0.53 0.00 0.00 43.42 44.07 3iup n LEU 187 CO 0.00 0.00 1.16 -1.13 -1.11 0.00 0.00 177.39 176.31 3iup h ASN 188 N 0.00 0.75 -0.55 1.96 -1.24 -1.42 0.09 115.58 115.18 3iup h ASN 188 Ca 0.00 0.01 -0.02 0.00 0.71 0.00 0.00 56.30 57.00 3iup h ASN 188 Cb 0.00 -0.15 -0.02 0.00 0.73 0.00 0.00 38.32 38.88 3iup h ASN 188 CO 0.00 0.50 0.26 1.56 -1.29 0.00 0.00 177.43 178.46 3iup h GLN 189 N 0.89 0.79 -0.24 6.67 1.08 -1.68 -0.90 115.11 121.72 3iup h GLN 189 Ca 0.32 -0.12 0.00 0.00 -1.45 0.00 0.00 58.65 57.40 3iup h GLN 189 Cb 0.10 -0.14 -0.01 0.00 -0.05 0.00 0.00 27.48 27.37 3iup h GLN 189 CO -0.14 0.66 0.15 0.82 -0.95 0.00 0.00 178.83 179.37 3iup h ILE 190 N 0.74 1.07 -0.49 2.54 2.04 -1.73 -1.38 117.51 120.30 3iup h ILE 190 Ca 0.19 -0.14 -0.12 0.00 1.00 0.00 0.00 64.86 65.79 3iup h ILE 190 Cb 0.13 0.74 -0.02 0.00 -0.74 0.00 0.00 36.82 36.93 3iup h ILE 190 CO -0.02 0.07 -0.15 0.00 0.00 0.00 0.00 178.15 178.04 3iup h LEU 192 N 0.83 0.45 -0.75 0.00 3.38 -1.03 0.09 115.31 118.27 3iup h LEU 192 Ca 0.12 -0.22 -0.08 0.00 0.09 0.00 0.00 57.88 57.79 3iup h LEU 192 Cb 0.70 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 41.31 3iup h LEU 192 CO 0.05 0.56 0.05 0.50 0.09 0.00 0.00 178.44 179.69 3iup h LYS 193 N 0.32 1.00 -0.01 1.13 3.64 -0.99 -3.12 116.57 118.54 3iup h LYS 193 Ca 0.09 -0.28 0.00 0.00 -1.27 0.00 0.00 60.65 59.20 3iup h LYS 193 Cb 0.28 -0.11 0.00 0.00 -0.41 0.00 0.00 32.23 31.99 3iup h LYS 193 CO 0.00 0.95 -0.20 -0.25 -2.27 0.00 0.00 179.45 177.68 3iup n ASP 194 N -4.20 1.55 -1.11 4.20 9.92 0.00 -4.94 116.55 121.96 3iup n ASP 194 Ca 0.04 -1.29 -0.08 0.00 -0.53 0.00 0.00 54.79 52.93 3iup n ASP 194 Cb 0.31 0.15 0.01 0.00 -0.64 0.00 0.00 41.12 40.94 3iup n ASP 194 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 3iup n GLY 195 N 1.31 0.14 3.64 0.44 0.00 -0.31 -5.01 105.19 105.40 3iup n GLY 195 Ca 0.14 -0.49 -0.37 0.00 0.00 0.00 0.00 46.02 45.29 3iup n GLY 195 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3iup s ILE 196 N -2.60 5.31 0.31 -0.61 1.01 -0.13 -5.05 121.20 119.44 3iup s ILE 196 Ca 0.06 0.28 -0.29 0.00 0.00 0.00 0.00 60.65 60.71 3iup s ILE 196 Cb -0.03 -3.56 -0.10 0.00 0.01 0.00 0.00 42.46 38.79 3iup s ILE 196 CO 0.08 0.29 1.16 -0.54 0.00 0.00 0.00 174.94 175.92 3iup s LYS 197 N 1.37 4.49 -0.07 2.79 1.02 -1.26 -4.53 119.74 123.54 3iup s LYS 197 Ca 0.10 1.90 -0.05 0.00 0.02 0.00 0.00 55.97 57.94 3iup s LYS 197 Cb -0.15 -3.08 0.03 0.00 -0.52 0.00 0.00 37.83 34.12 3iup s LYS 197 CO 0.07 0.04 0.18 -1.17 -0.92 0.00 0.00 175.35 173.55 3iup s LEU 198 N -1.70 0.92 -0.25 3.17 2.96 -1.26 -2.05 118.68 120.47 3iup s LEU 198 Ca 0.47 0.36 -0.07 0.00 -0.22 0.00 0.00 54.13 54.68 3iup s LEU 198 Cb -0.33 0.53 -0.02 0.00 0.50 0.00 0.00 46.19 46.87 3iup s LEU 198 CO 0.43 -0.11 0.06 -0.69 -1.32 0.00 0.00 176.35 174.72 3iup s VAL 199 N 0.74 4.19 -0.12 1.68 1.01 -0.16 -4.20 120.40 123.53 3iup s VAL 199 Ca -0.05 -0.25 -0.13 0.00 0.00 0.00 0.00 61.98 61.54 3iup s VAL 199 Cb -0.07 -2.98 -0.05 0.00 0.00 0.00 0.00 36.38 33.29 3iup s VAL 199 CO -0.04 0.32 0.29 0.20 0.00 0.00 0.00 175.10 175.87 3iup s ASN 200 N 1.59 6.50 -0.12 3.32 0.01 -0.39 -0.99 114.94 124.86 3iup s ASN 200 Ca 0.06 0.59 0.03 0.00 -0.71 0.00 0.00 52.86 52.82 3iup s ASN 200 Cb -0.15 -2.18 0.01 0.00 0.41 0.00 0.00 41.25 39.34 3iup s ASN 200 CO 0.03 0.20 -0.21 -0.63 -1.51 0.00 0.00 177.10 174.98 3iup s ILE 201 N -0.11 1.90 0.45 0.60 1.01 -0.22 -0.44 121.20 124.39 3iup s ILE 201 Ca 0.18 -0.89 0.03 0.00 0.00 0.00 0.00 60.65 59.96 3iup s ILE 201 Cb -0.14 -1.68 -0.02 0.00 0.01 0.00 0.00 42.46 40.64 3iup s ILE 201 CO 0.06 0.52 0.09 0.68 0.00 0.00 0.00 174.94 176.29 3iup s VAL 202 N 0.74 0.73 0.00 2.92 -7.23 -0.19 -1.36 120.40 116.01 3iup s VAL 202 Ca -0.10 -2.00 0.00 0.00 -1.81 0.00 0.00 61.98 58.07 3iup s VAL 202 Cb -0.16 -2.24 0.00 0.00 0.56 0.00 0.00 36.38 34.54 3iup s VAL 202 CO 0.01 0.00 0.63 -2.11 -0.31 0.00 0.00 175.10 173.32 3iup n ARG 203 N -1.05 0.74 -3.98 4.82 1.85 -1.26 0.13 116.66 117.91 3iup n ARG 203 Ca -0.11 -0.82 -0.09 0.00 -1.00 0.00 0.00 57.85 55.83 3iup n ARG 203 Cb 0.65 -0.89 -0.11 0.00 -1.05 0.00 0.00 32.46 31.07 3iup n ARG 203 CO 0.00 0.00 0.00 0.15 -0.01 0.00 0.00 177.63 177.77 3iup s LYS 204 N -0.38 0.32 0.48 2.89 1.02 -1.26 -4.25 119.74 118.57 3iup s LYS 204 Ca 0.00 -0.62 0.24 0.00 0.02 0.00 0.00 55.97 55.61 3iup s LYS 204 Cb 0.00 0.12 1.23 0.00 -0.52 0.00 0.00 37.83 38.66 3iup s LYS 204 CO 0.00 -0.05 1.99 0.37 -0.92 0.00 0.00 175.35 176.74 3iup h GLN 205 N 4.60 0.00 -0.50 1.68 5.75 -1.99 -1.99 115.11 122.66 3iup h GLN 205 Ca -0.32 0.00 -0.02 0.00 -0.15 0.00 0.00 58.65 58.16 3iup h GLN 205 Cb 1.21 0.00 -0.02 0.00 1.07 0.00 0.00 27.48 29.74 3iup h GLN 205 CO 0.41 0.18 0.24 0.93 -2.65 0.00 0.00 178.83 177.94 3iup h GLU 206 N 0.00 0.73 -0.63 1.69 3.07 -1.99 -0.17 114.58 117.27 3iup h GLU 206 Ca -0.00 -0.11 -0.03 0.00 -0.50 0.00 0.00 59.36 58.72 3iup h GLU 206 Cb 0.44 -0.13 -0.03 0.00 -0.84 0.00 0.00 28.75 28.19 3iup h GLU 206 CO 0.02 0.61 0.30 1.96 -1.40 0.00 0.00 179.01 180.50 3iup h GLN 207 N 0.67 0.92 -0.63 2.33 4.20 -1.79 -0.63 115.11 120.16 3iup h GLN 207 Ca 0.17 -0.14 -0.05 0.00 0.06 0.00 0.00 58.65 58.69 3iup h GLN 207 Cb 0.13 -0.16 -0.03 0.00 0.30 0.00 0.00 27.48 27.72 3iup h GLN 207 CO -0.02 0.74 0.18 0.00 -0.67 0.00 0.00 178.83 179.06 3iup h ALA 208 N 1.13 1.12 -0.48 3.87 0.00 -1.10 -2.48 119.26 121.32 3iup h ALA 208 Ca 0.22 -0.21 -0.10 0.00 0.00 0.00 0.00 54.91 54.82 3iup h ALA 208 Cb 0.13 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.66 3iup h ALA 208 CO -0.03 0.60 -0.08 -0.44 0.00 0.00 0.00 179.25 179.31 3iup h ASP 209 N 0.94 0.90 -0.45 0.00 3.32 -0.40 0.14 116.42 120.87 3iup h ASP 209 Ca 0.21 -0.35 0.02 0.00 0.02 0.00 0.00 57.03 56.93 3iup h ASP 209 Cb 0.30 -0.24 -0.03 0.00 0.22 0.00 0.00 39.33 39.57 3iup h ASP 209 CO -0.00 1.03 0.27 0.25 -1.72 0.00 0.00 179.24 179.06 3iup h LEU 210 N 0.75 0.43 -0.30 1.55 5.85 -0.93 0.22 115.31 122.87 3iup h LEU 210 Ca 0.13 0.00 -0.14 0.00 0.84 0.00 0.00 57.88 58.71 3iup h LEU 210 Cb 0.62 -0.09 -0.00 0.00 0.37 0.00 0.00 40.66 41.56 3iup h LEU 210 CO 0.04 0.31 -0.36 -0.07 -0.34 0.00 0.00 178.44 178.02 3iup h LEU 211 N 0.53 0.83 -0.72 2.25 3.38 -1.30 -2.20 115.31 118.09 3iup h LEU 211 Ca 0.18 -0.49 -0.01 0.00 0.09 0.00 0.00 57.88 57.65 3iup h LEU 211 Cb 0.01 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 40.49 3iup h LEU 211 CO -0.08 1.15 0.39 0.11 0.09 0.00 0.00 178.44 180.10 3iup h LYS 212 N 0.53 1.00 -0.22 1.13 1.79 -0.68 -0.91 116.57 119.21 3iup h LYS 212 Ca 0.04 -0.12 0.06 0.00 -2.18 0.00 0.00 60.65 58.45 3iup h LYS 212 Cb 0.94 -0.19 -0.01 0.00 -1.58 0.00 0.00 32.23 31.39 3iup h LYS 212 CO 0.09 0.75 0.16 0.00 -1.08 0.00 0.00 179.45 179.36 3iup h ALA 213 N 1.20 2.19 -0.52 3.86 0.00 -0.45 -0.75 119.26 124.79 3iup h ALA 213 Ca 0.25 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.15 3iup h ALA 213 Cb 0.04 0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.84 3iup h ALA 213 CO -0.04 -0.25 0.00 1.04 0.00 0.00 0.00 179.25 180.00 3iup n GLN 214 N -4.48 2.45 -0.44 0.00 6.02 -0.47 -4.94 117.38 115.54 3iup n GLN 214 Ca 0.02 -1.96 0.00 0.00 -0.01 0.00 0.00 57.00 55.05 3iup n GLN 214 Cb 0.29 -1.50 0.00 0.00 1.02 0.00 0.00 30.24 30.05 3iup n GLN 214 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3iup n GLY 215 N 1.22 0.76 3.69 1.08 0.00 -0.29 -4.92 105.19 106.72 3iup n GLY 215 Ca 0.18 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.76 3iup n GLY 215 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3iup n ALA 216 N -0.68 1.58 0.03 4.61 0.00 -0.50 -4.92 120.51 120.64 3iup n ALA 216 Ca 0.00 0.42 -0.19 0.00 0.00 0.00 0.00 53.44 53.67 3iup n ALA 216 Cb 0.00 -2.35 -0.14 0.00 0.00 0.00 0.00 19.45 16.95 3iup n ALA 216 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 3iup h VAL 217 N 3.36 1.56 -3.40 0.00 2.07 -1.90 -3.43 116.25 114.52 3iup h VAL 217 Ca -0.45 -2.51 -0.62 0.00 0.82 0.00 0.00 66.70 63.94 3iup h VAL 217 Cb 1.25 3.24 -0.37 0.00 -1.52 0.00 0.00 31.29 33.90 3iup h VAL 217 CO 0.83 0.70 -0.81 -1.00 0.02 0.00 0.00 177.57 177.30 3iup s HIS 218 N -2.39 2.44 -0.12 1.57 3.76 -1.26 -5.09 115.29 114.21 3iup s HIS 218 Ca -0.15 -1.59 -0.00 0.00 -0.15 0.00 0.00 55.06 53.17 3iup s HIS 218 Cb 0.00 -1.66 0.02 0.00 1.11 0.00 0.00 32.58 32.06 3iup s HIS 218 CO 0.81 -0.75 -0.09 0.08 -0.85 0.00 0.00 174.74 173.95 3iup s VAL 219 N 1.39 1.10 -0.10 -0.90 1.01 -1.26 -1.26 120.40 120.38 3iup s VAL 219 Ca -0.01 -0.34 0.01 0.00 0.00 0.00 0.00 61.98 61.64 3iup s VAL 219 Cb -0.16 -1.10 -0.02 0.00 0.00 0.00 0.00 36.38 35.10 3iup s VAL 219 CO -0.08 0.38 -0.11 0.00 0.00 0.00 0.00 175.10 175.29 3iup s ASN 221 N -0.22 5.78 0.48 0.00 3.84 -1.26 -1.02 114.94 122.54 3iup s ASN 221 Ca 0.02 -0.13 0.24 0.00 0.21 0.00 0.00 52.86 53.20 3iup s ASN 221 Cb -0.13 -2.07 1.23 0.00 -0.55 0.00 0.00 41.25 39.73 3iup s ASN 221 CO 0.03 -0.07 1.99 0.00 -2.79 0.00 0.00 177.10 176.26 3iup h ALA 222 N 8.35 1.28 0.00 1.71 0.00 -0.60 -1.53 119.26 128.46 3iup h ALA 222 Ca -0.35 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.39 3iup h ALA 222 Cb 1.18 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.94 3iup h ALA 222 CO 0.57 0.22 0.00 0.00 0.00 0.00 0.00 179.25 180.04 3iup n ALA 223 N -2.32 1.68 -1.81 0.00 0.00 -1.26 -4.86 120.51 111.94 3iup n ALA 223 Ca -0.02 0.03 -0.38 0.00 0.00 0.00 0.00 53.44 53.07 3iup n ALA 223 Cb 0.29 -1.33 -0.06 0.00 0.00 0.00 0.00 19.45 18.35 3iup n ALA 223 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 3iup s SER 224 N -3.75 7.40 0.08 0.00 0.15 -0.58 -4.94 113.70 112.06 3iup s SER 224 Ca 0.05 1.82 0.17 0.00 0.70 0.00 0.00 55.95 58.70 3iup s SER 224 Cb 0.10 -2.57 0.74 0.00 -1.71 0.00 0.00 66.02 62.57 3iup s SER 224 CO 0.35 0.02 1.55 -0.81 1.20 0.00 0.00 173.24 175.54 3iup n PRO 225 N 0.89 0.06 -0.47 5.44 -0.04 -1.26 -2.02 135.00 137.60 3iup n PRO 225 Ca 0.00 0.30 0.08 0.00 -0.04 0.00 0.00 63.50 63.84 3iup n PRO 225 Cb 0.49 -1.61 0.26 0.00 -0.04 0.00 0.00 33.50 32.60 3iup n PRO 225 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 3iup n THR 226 N -1.72 2.32 0.00 0.52 -2.24 -1.26 -4.97 114.28 106.92 3iup n THR 226 Ca 0.03 -1.92 0.00 0.00 -2.27 0.00 0.00 64.05 59.89 3iup n THR 226 Cb 0.19 -0.26 0.00 0.00 -2.10 0.00 0.00 70.33 68.16 3iup n THR 226 CO 0.00 0.00 0.00 0.33 -0.57 0.00 0.00 175.07 174.83 3iup n PHE 227 N -0.53 0.00 0.00 4.78 7.35 -0.86 -0.19 117.46 128.02 3iup n PHE 227 Ca 0.22 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.91 3iup n PHE 227 Cb 0.91 0.00 0.00 0.00 0.35 0.00 0.00 39.48 40.74 3iup n PHE 227 CO 0.00 0.00 0.00 0.94 -0.76 0.00 0.00 176.76 176.94 3iup n GLN 229 N 0.14 0.00 -0.24 -4.13 7.27 -1.26 0.15 117.38 119.31 3iup n GLN 229 Ca 0.00 0.00 -0.02 0.00 0.07 0.00 0.00 57.00 57.05 3iup n GLN 229 Cb 0.00 0.00 0.10 0.00 2.41 0.00 0.00 30.24 32.75 3iup n GLN 229 CO 0.00 0.00 0.00 -0.44 0.07 0.00 0.00 177.06 176.69 3iup h ASP 230 N 0.00 0.60 -0.26 1.69 3.32 -1.00 -1.39 116.42 119.38 3iup h ASP 230 Ca 0.00 0.02 -0.14 0.00 0.02 0.00 0.00 57.03 56.94 3iup h ASP 230 Cb 0.00 -0.10 -0.00 0.00 0.22 0.00 0.00 39.33 39.45 3iup h ASP 230 CO 0.00 0.39 -0.38 0.25 -1.72 0.00 0.00 179.24 177.78 3iup h LEU 231 N 0.73 0.78 -0.52 1.55 5.85 -0.53 -1.29 115.31 121.88 3iup h LEU 231 Ca 0.30 -0.51 0.01 0.00 0.84 0.00 0.00 57.88 58.52 3iup h LEU 231 Cb 0.17 -0.22 -0.03 0.00 0.37 0.00 0.00 40.66 40.95 3iup h LEU 231 CO -0.17 1.14 0.34 0.74 -0.34 0.00 0.00 178.44 180.15 3iup h THR 232 N 0.44 1.13 -0.24 1.05 2.02 -1.72 0.00 112.91 115.59 3iup h THR 232 Ca 0.03 -0.24 0.04 0.00 0.77 0.00 0.00 66.41 67.00 3iup h THR 232 Cb 0.96 0.37 -0.03 0.00 -1.74 0.00 0.00 68.15 67.71 3iup h THR 232 CO 0.09 0.13 0.03 -0.08 0.37 0.00 0.00 175.52 176.05 3iup h GLU 233 N 0.70 0.11 -0.51 6.66 4.81 -1.15 0.18 114.58 125.37 3iup h GLU 233 Ca 0.19 -0.01 -0.02 0.00 -0.13 0.00 0.00 59.36 59.40 3iup h GLU 233 Cb -0.07 -0.02 -0.03 0.00 0.63 0.00 0.00 28.75 29.26 3iup h GLU 233 CO -0.05 0.07 0.25 0.00 -0.73 0.00 0.00 179.01 178.55 3iup h ALA 234 N 1.19 1.47 -0.07 2.92 0.00 -0.82 -1.44 119.26 122.51 3iup h ALA 234 Ca 0.11 -0.11 -0.17 0.00 0.00 0.00 0.00 54.91 54.74 3iup h ALA 234 Cb 0.13 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.70 3iup h ALA 234 CO -0.17 0.42 -0.70 -0.07 0.00 0.00 0.00 179.25 178.74 3iup h LEU 235 N 0.72 0.39 -0.60 0.00 3.38 -0.42 -0.34 115.31 118.43 3iup h LEU 235 Ca 0.18 -0.25 -0.01 0.00 0.09 0.00 0.00 57.88 57.89 3iup h LEU 235 Cb 0.08 -0.12 -0.03 0.00 0.09 0.00 0.00 40.66 40.68 3iup h LEU 235 CO -0.02 0.97 0.34 0.58 0.09 0.00 0.00 178.44 180.40 3iup h VAL 236 N 0.23 1.19 -0.47 1.22 2.07 -0.57 0.03 116.25 119.95 3iup h VAL 236 Ca -0.02 -0.47 -0.08 0.00 0.82 0.00 0.00 66.70 66.95 3iup h VAL 236 Cb 1.26 0.40 -0.02 0.00 -1.52 0.00 0.00 31.29 31.42 3iup h VAL 236 CO 0.12 0.20 -0.01 0.28 0.02 0.00 0.00 177.57 178.18 3iup h SER 237 N 0.82 0.82 0.74 0.57 0.02 -1.09 -3.30 113.55 112.13 3iup h SER 237 Ca 0.21 -0.31 -0.18 0.00 -0.84 0.00 0.00 61.79 60.68 3iup h SER 237 Cb 0.03 -0.22 -0.03 0.00 0.14 0.00 0.00 62.40 62.32 3iup h SER 237 CO -0.04 0.93 -1.37 0.71 -1.14 0.00 0.00 176.83 175.92 3iup h THR 238 N 0.69 0.57 -1.06 -2.27 1.35 -1.02 -3.48 112.91 107.68 3iup h THR 238 Ca 0.13 -2.09 -0.30 0.00 -0.55 0.00 0.00 66.41 63.61 3iup h THR 238 Cb 0.51 2.10 -0.09 0.00 -1.73 0.00 0.00 68.15 68.94 3iup h THR 238 CO 0.03 0.32 -0.30 0.61 -0.25 0.00 0.00 175.52 175.93 3iup n GLY 239 N 1.40 1.04 3.74 5.82 0.00 -0.01 -4.66 105.19 112.52 3iup n GLY 239 Ca -0.09 -0.32 -0.41 0.00 0.00 0.00 0.00 46.02 45.20 3iup n GLY 239 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3iup s ALA 240 N -2.59 3.47 0.00 4.61 0.00 -1.25 -4.49 121.76 121.51 3iup s ALA 240 Ca 0.00 1.02 0.00 0.00 0.00 0.00 0.00 51.96 52.98 3iup s ALA 240 Cb 0.00 -3.44 0.00 0.00 0.00 0.00 0.00 23.12 19.68 3iup s ALA 240 CO 0.00 -0.45 0.54 0.25 0.00 0.00 0.00 175.76 176.11 3iup n THR 241 N 2.50 0.30 -4.55 0.00 -2.24 -1.21 -4.94 114.28 104.14 3iup n THR 241 Ca 0.05 -0.40 -0.23 0.00 -2.27 0.00 0.00 64.05 61.19 3iup n THR 241 Cb 0.44 1.06 -0.14 0.00 -2.10 0.00 0.00 70.33 69.59 3iup n THR 241 CO 0.00 0.00 0.00 -0.51 -0.57 0.00 0.00 175.07 173.99 3iup s ILE 242 N -0.30 1.36 0.00 2.28 2.07 -1.24 -1.29 121.20 124.08 3iup s ILE 242 Ca 0.00 -1.01 0.02 0.00 -1.41 0.00 0.00 60.65 58.25 3iup s ILE 242 Cb 0.00 -1.19 -0.01 0.00 0.13 0.00 0.00 42.46 41.39 3iup s ILE 242 CO 0.00 0.16 -0.07 0.00 -1.91 0.00 0.00 174.94 173.11 3iup s ALA 243 N -0.73 0.59 -0.24 1.50 0.00 0.55 -0.79 121.76 122.64 3iup s ALA 243 Ca 0.05 -0.36 -0.03 0.00 0.00 0.00 0.00 51.96 51.61 3iup s ALA 243 Cb -0.08 -0.13 0.01 0.00 0.00 0.00 0.00 23.12 22.92 3iup s ALA 243 CO 0.01 0.13 -0.04 -0.06 0.00 0.00 0.00 175.76 175.80 3iup s PHE 244 N -0.31 3.02 -0.22 0.00 0.40 0.23 -0.33 117.98 120.76 3iup s PHE 244 Ca 0.01 -1.20 -0.02 0.00 -0.60 0.00 0.00 56.93 55.12 3iup s PHE 244 Cb -0.04 -2.10 0.01 0.00 0.51 0.00 0.00 43.02 41.40 3iup s PHE 244 CO -0.00 -0.63 -0.10 0.34 0.70 0.00 0.00 175.22 175.53 3iup s ASP 245 N 1.42 3.96 0.16 1.36 2.15 0.98 -1.66 116.67 125.03 3iup s ASP 245 Ca 0.03 -0.64 0.25 0.00 0.43 0.00 0.00 52.55 52.63 3iup s ASP 245 Cb -0.15 -1.64 0.62 0.00 -0.30 0.00 0.00 42.92 41.45 3iup s ASP 245 CO -0.03 -0.05 1.58 0.00 -0.17 0.00 0.00 175.17 176.50 3iup n ALA 246 N 4.70 2.59 -0.04 3.66 0.00 -1.26 -1.21 120.51 128.94 3iup n ALA 246 Ca -0.18 -0.13 -0.15 0.00 0.00 0.00 0.00 53.44 52.98 3iup n ALA 246 Cb 0.49 -1.34 -0.12 0.00 0.00 0.00 0.00 19.45 18.48 3iup n ALA 246 CO 0.00 0.00 0.00 1.79 0.00 0.00 0.00 177.50 179.29 3iup h THR 247 N 0.00 1.65 0.00 0.00 1.35 -1.91 -1.75 112.91 112.25 3iup h THR 247 Ca 0.00 -2.07 0.00 0.00 -0.55 0.00 0.00 66.41 63.79 3iup h THR 247 Cb 0.73 3.03 0.00 0.00 -1.73 0.00 0.00 68.15 70.18 3iup h THR 247 CO 0.00 0.55 0.00 0.61 -0.25 0.00 0.00 175.52 176.43 3iup n GLY 248 N 1.26 2.10 3.60 5.82 0.00 -1.23 -0.43 105.19 116.31 3iup n GLY 248 Ca -0.10 -0.14 -0.30 0.00 0.00 0.00 0.00 46.02 45.48 3iup n GLY 248 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3iup s GLY 249 N 0.00 1.58 0.00 -0.02 0.00 -0.67 -4.54 107.32 103.66 3iup s GLY 249 Ca 0.00 -0.85 0.00 0.00 0.00 0.00 0.00 44.72 43.87 3iup s GLY 249 CO 0.00 -0.01 0.00 0.61 0.00 0.00 0.00 173.10 173.70 3iup n GLY 250 N -0.93 0.41 0.03 0.20 0.00 -0.06 -4.43 105.19 100.41 3iup n GLY 250 Ca 0.12 -0.82 0.06 0.00 0.00 0.00 0.00 46.02 45.37 3iup n GLY 250 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3iup n LYS 251 N 0.00 2.81 -0.29 1.61 5.02 -1.26 -1.95 118.16 124.11 3iup n LYS 251 Ca 0.00 -0.08 -0.05 0.00 -2.02 0.00 0.00 58.31 56.16 3iup n LYS 251 Cb 0.00 -1.09 0.06 0.00 -0.02 0.00 0.00 35.03 33.98 3iup n LYS 251 CO 0.00 0.00 0.00 1.25 -0.52 0.00 0.00 177.40 178.13 3iup h LEU 252 N 0.16 1.03 -0.30 -0.35 5.85 -1.87 -0.45 115.31 119.38 3iup h LEU 252 Ca 0.00 -0.14 0.04 0.00 0.84 0.00 0.00 57.88 58.63 3iup h LEU 252 Cb 0.31 -0.26 -0.04 0.00 0.37 0.00 0.00 40.66 41.03 3iup h LEU 252 CO 0.00 0.88 0.05 1.23 -0.34 0.00 0.00 178.44 180.26 3iup h GLY 253 N 1.11 0.34 1.48 3.75 0.00 -1.87 -0.07 103.07 107.81 3iup h GLY 253 Ca 0.27 -0.01 -0.13 0.00 0.00 0.00 0.00 47.33 47.46 3iup h GLY 253 CO -0.03 -0.02 -0.37 -1.33 0.00 0.00 0.00 176.54 174.78 3iup h GLY 254 N 0.16 0.62 0.89 4.60 0.00 -1.72 -2.40 103.07 105.23 3iup h GLY 254 Ca 0.14 -0.60 0.03 0.00 0.00 0.00 0.00 47.33 46.90 3iup h GLY 254 CO -0.19 0.55 0.55 1.46 0.00 0.00 0.00 176.54 178.90 3iup h GLN 255 N 0.48 1.05 -0.26 4.80 4.20 -0.49 -0.58 115.11 124.31 3iup h GLN 255 Ca 0.05 -0.06 -0.04 0.00 0.06 0.00 0.00 58.65 58.66 3iup h GLN 255 Cb 0.87 -0.24 -0.01 0.00 0.30 0.00 0.00 27.48 28.40 3iup h GLN 255 CO 0.07 0.69 0.02 0.82 -0.67 0.00 0.00 178.83 179.77 3iup h ILE 256 N 1.08 1.24 -0.90 2.54 2.04 -0.78 -1.07 117.51 121.66 3iup h ILE 256 Ca 0.34 -0.84 0.10 0.00 1.00 0.00 0.00 64.86 65.46 3iup h ILE 256 Cb -0.01 1.29 -0.07 0.00 -0.74 0.00 0.00 36.82 37.29 3iup h ILE 256 CO -0.11 0.27 0.54 -0.07 0.00 0.00 0.00 178.15 178.78 3iup h LEU 257 N 0.23 0.80 -0.30 1.44 3.38 -1.15 -2.69 115.31 117.02 3iup h LEU 257 Ca 0.08 0.04 -0.06 0.00 0.09 0.00 0.00 57.88 58.03 3iup h LEU 257 Cb 0.37 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 40.99 3iup h LEU 257 CO 0.01 0.46 -0.04 0.74 0.09 0.00 0.00 178.44 179.70 3iup h THR 258 N 0.91 1.27 0.00 0.22 2.02 -0.84 -1.62 112.91 114.86 3iup h THR 258 Ca 0.43 -1.04 0.00 0.00 0.77 0.00 0.00 66.41 66.57 3iup h THR 258 Cb 0.36 1.33 0.00 0.00 -1.74 0.00 0.00 68.15 68.10 3iup h THR 258 CO -0.24 0.33 0.00 0.00 0.37 0.00 0.00 175.52 175.99 3iup n GLU 261 N 1.19 0.00 -0.09 0.00 4.07 -0.61 -1.38 120.64 123.82 3iup n GLU 261 Ca 0.00 0.00 -0.06 0.00 -0.06 0.00 0.00 57.16 57.04 3iup n GLU 261 Cb 0.20 0.00 0.00 0.00 -0.06 0.00 0.00 31.44 31.59 3iup n GLU 261 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 3iup h ALA 262 N 0.00 0.26 -0.15 4.31 0.00 -1.65 0.09 119.26 122.11 3iup h ALA 262 Ca 0.00 0.11 0.01 0.00 0.00 0.00 0.00 54.91 55.03 3iup h ALA 262 Cb 0.00 0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.97 3iup h ALA 262 CO 0.00 -0.43 0.06 0.00 0.00 0.00 0.00 179.25 178.88 3iup h ALA 263 N 1.30 0.17 -0.59 0.00 0.00 -1.51 -2.65 119.26 115.99 3iup h ALA 263 Ca 0.16 0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.08 3iup h ALA 263 Cb 0.22 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 17.99 3iup h ALA 263 CO -0.29 -0.38 0.38 -0.07 0.00 0.00 0.00 179.25 178.88 3iup h LEU 264 N 0.13 0.68 -0.86 0.00 3.38 -1.75 -2.78 115.31 114.12 3iup h LEU 264 Ca 0.07 -0.02 -0.06 0.00 0.09 0.00 0.00 57.88 57.95 3iup h LEU 264 Cb 0.03 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 40.61 3iup h LEU 264 CO -0.06 0.50 -0.30 0.78 0.09 0.00 0.00 178.44 179.45 3iup h ASN 265 N 0.80 0.00 -0.54 -0.43 2.35 -0.65 -2.17 115.58 114.94 3iup h ASN 265 Ca 0.21 0.00 0.12 0.00 -0.55 0.00 0.00 56.30 56.08 3iup h ASN 265 Cb -0.07 0.00 -0.03 0.00 0.05 0.00 0.00 38.32 38.27 3iup h ASN 265 CO -0.04 0.30 0.37 0.11 -1.65 0.00 0.00 177.43 176.52 3iup h LYS 266 N 0.00 0.19 -0.53 0.81 1.57 -1.18 -0.78 116.57 116.65 3iup h LYS 266 Ca -0.00 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.77 3iup h LYS 266 Cb 0.89 -0.04 0.00 0.00 0.08 0.00 0.00 32.23 33.16 3iup h LYS 266 CO 0.04 0.12 0.00 -1.13 -0.57 0.00 0.00 179.45 177.91 3iup n SER 267 N -4.44 4.56 -4.70 0.86 3.41 -0.82 -5.00 113.62 107.50 3iup n SER 267 Ca 0.09 -2.58 -0.42 0.00 -0.26 0.00 0.00 58.87 55.70 3iup n SER 267 Cb 0.47 -0.55 -0.03 0.00 -0.26 0.00 0.00 64.21 63.84 3iup n SER 267 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3iup s ALA 268 N -2.08 3.66 -0.08 7.33 0.00 -0.30 -4.95 121.76 125.35 3iup s ALA 268 Ca 0.47 1.14 -0.04 0.00 0.00 0.00 0.00 51.96 53.53 3iup s ALA 268 Cb 0.32 -3.64 -0.27 0.00 0.00 0.00 0.00 23.12 19.54 3iup s ALA 268 CO 0.19 -0.94 0.52 0.00 0.00 0.00 0.00 175.76 175.53 3iup h ARG 269 N 7.77 0.25 -5.75 0.00 2.47 -1.94 -3.48 114.38 113.70 3iup h ARG 269 Ca -0.41 -0.43 -0.60 0.00 -1.26 0.00 0.00 59.98 57.28 3iup h ARG 269 Cb 1.20 0.16 -0.08 0.00 -1.65 0.00 0.00 29.97 29.60 3iup h ARG 269 CO 0.91 1.12 -0.42 -1.83 0.56 0.00 0.00 179.97 180.32 3iup s GLU 270 N -2.57 2.24 -0.12 0.04 4.04 -1.26 -5.11 118.70 115.96 3iup s GLU 270 Ca -0.17 -2.05 -0.28 0.00 0.04 0.00 0.00 54.97 52.51 3iup s GLU 270 Cb 0.07 -1.93 -0.02 0.00 0.02 0.00 0.00 34.13 32.27 3iup s GLU 270 CO 0.80 -0.39 0.92 -0.47 -1.84 0.00 0.00 175.26 174.28 3iup s TYR 271 N -2.74 3.50 -0.24 4.83 5.04 -1.26 -5.04 117.35 121.44 3iup s TYR 271 Ca 0.29 1.46 -0.03 0.00 -2.44 0.00 0.00 57.07 56.36 3iup s TYR 271 Cb 0.01 -3.09 0.01 0.00 0.35 0.00 0.00 41.96 39.24 3iup s TYR 271 CO 0.17 -0.19 -0.05 -1.12 -1.34 0.00 0.00 175.55 173.03 3iup s SER 272 N 1.08 4.34 0.33 4.32 0.01 -1.26 -4.98 113.70 117.54 3iup s SER 272 Ca 0.44 -0.69 0.11 0.00 1.31 0.00 0.00 55.95 57.12 3iup s SER 272 Cb -0.18 -1.70 1.02 0.00 0.21 0.00 0.00 66.02 65.37 3iup s SER 272 CO 0.17 -0.10 1.61 -0.09 0.41 0.00 0.00 173.24 175.24 3iup h ARG 273 N 8.07 0.11 -0.21 12.44 9.65 -2.02 -2.51 114.38 139.90 3iup h ARG 273 Ca -0.36 -0.01 -0.06 0.00 -1.10 0.00 0.00 59.98 58.45 3iup h ARG 273 Cb 1.13 -0.03 -0.04 0.00 -1.39 0.00 0.00 29.97 29.64 3iup h ARG 273 CO 0.59 0.07 -0.08 0.66 2.80 0.00 0.00 179.97 184.02 3iup n TYR 274 N -5.26 0.70 -3.88 2.20 4.01 -1.26 -5.08 117.16 108.59 3iup n TYR 274 Ca 0.30 -1.22 0.00 0.00 -0.16 0.00 0.00 57.90 56.82 3iup n TYR 274 Cb 0.97 -0.34 0.00 0.00 -0.31 0.00 0.00 39.34 39.67 3iup n TYR 274 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3iup n GLY 275 N -0.99 -2.04 3.71 2.72 0.00 -0.95 -4.38 105.19 103.27 3iup n GLY 275 Ca 0.24 -1.44 -0.42 0.00 0.00 0.00 0.00 46.02 44.40 3iup n GLY 275 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 3iup n SER 276 N 0.87 2.86 0.00 1.61 2.88 -1.26 -4.72 113.62 115.86 3iup n SER 276 Ca 0.00 1.21 0.13 0.00 -1.33 0.00 0.00 58.87 58.88 3iup n SER 276 Cb 0.00 -1.50 0.67 0.00 -0.75 0.00 0.00 64.21 62.63 3iup n SER 276 CO 0.00 0.00 0.00 0.35 -1.23 0.00 0.00 175.04 174.16 3iup n THR 277 N 0.33 0.12 -2.43 2.46 -2.24 -1.26 -4.40 114.28 106.85 3iup n THR 277 Ca 0.04 0.03 -0.43 0.00 -2.27 0.00 0.00 64.05 61.43 3iup n THR 277 Cb 0.36 -0.57 -0.02 0.00 -2.10 0.00 0.00 70.33 68.00 3iup n THR 277 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 3iup s THR 278 N -2.66 4.28 0.15 4.28 2.01 -1.26 -4.91 115.64 117.51 3iup s THR 278 Ca 0.23 1.53 -0.31 0.00 0.31 0.00 0.00 61.69 63.45 3iup s THR 278 Cb 0.18 -4.02 -0.09 0.00 0.01 0.00 0.00 72.50 68.58 3iup s THR 278 CO 0.43 -0.17 1.49 -2.28 -0.69 0.00 0.00 174.62 173.41 3iup s HIS 279 N 3.59 3.14 -0.13 4.92 2.46 -1.26 -4.82 115.29 123.19 3iup s HIS 279 Ca 0.55 0.76 -0.01 0.00 0.47 0.00 0.00 55.06 56.83 3iup s HIS 279 Cb -0.21 -3.83 -0.02 0.00 -0.13 0.00 0.00 32.58 28.39 3iup s HIS 279 CO 0.15 -3.00 -0.10 0.15 -2.47 0.00 0.00 174.74 169.47 3iup s LYS 280 N 1.11 3.39 -0.07 2.88 1.02 -0.51 -4.86 119.74 122.69 3iup s LYS 280 Ca 0.68 -0.63 0.04 0.00 0.02 0.00 0.00 55.97 56.07 3iup s LYS 280 Cb -0.41 -2.69 0.00 0.00 -0.52 0.00 0.00 37.83 34.21 3iup s LYS 280 CO 0.31 0.27 -0.18 -1.14 -0.92 0.00 0.00 175.35 173.68 3iup s GLN 281 N 0.24 2.24 -0.16 1.68 2.00 -0.41 -0.68 119.66 124.56 3iup s GLN 281 Ca -0.07 -0.65 0.01 0.00 -2.00 0.00 0.00 55.36 52.65 3iup s GLN 281 Cb -0.15 -1.80 0.01 0.00 0.80 0.00 0.00 33.01 31.87 3iup s GLN 281 CO 0.04 0.16 -0.20 0.08 -0.50 0.00 0.00 175.29 174.87 3iup s VAL 282 N 0.35 2.18 -0.24 1.34 1.01 -0.17 -0.33 120.40 124.54 3iup s VAL 282 Ca -0.13 -0.92 -0.10 0.00 0.00 0.00 0.00 61.98 60.83 3iup s VAL 282 Cb -0.15 -1.90 -0.05 0.00 0.00 0.00 0.00 36.38 34.28 3iup s VAL 282 CO 0.05 0.54 0.16 -0.31 0.00 0.00 0.00 175.10 175.54 3iup s TYR 283 N 1.05 3.31 -0.63 5.22 2.02 0.56 -1.76 117.35 127.12 3iup s TYR 283 Ca -0.01 0.21 -0.20 0.00 -0.37 0.00 0.00 57.07 56.71 3iup s TYR 283 Cb -0.14 -2.27 0.10 0.00 -0.40 0.00 0.00 41.96 39.25 3iup s TYR 283 CO -0.07 0.05 0.79 -0.51 -1.57 0.00 0.00 175.55 174.25 3iup s LEU 284 N 1.08 5.20 0.00 -1.29 1.43 0.53 -0.02 118.68 125.61 3iup s LEU 284 Ca 0.07 -1.42 0.17 0.00 -1.03 0.00 0.00 54.13 51.92 3iup s LEU 284 Cb -0.14 -2.33 0.02 0.00 0.03 0.00 0.00 46.19 43.78 3iup s LEU 284 CO 0.05 -1.17 0.90 0.00 0.23 0.00 0.00 176.35 176.36 3iup n TYR 285 N 6.57 0.00 -4.24 0.29 4.11 -0.35 -3.15 117.16 120.39 3iup n TYR 285 Ca -0.06 0.00 -0.18 0.00 -0.00 0.00 0.00 57.90 57.66 3iup n TYR 285 Cb 0.44 0.00 -0.07 0.00 -0.00 0.00 0.00 39.34 39.70 3iup n TYR 285 CO 0.00 0.00 0.00 0.20 -0.00 0.00 0.00 176.86 177.06 3iup s GLY 286 N -1.83 2.13 -0.28 -7.48 0.00 -1.15 -4.91 107.32 93.80 3iup s GLY 286 Ca 0.15 -1.95 0.19 0.00 0.00 0.00 0.00 44.72 43.11 3iup s GLY 286 CO 0.37 -1.36 1.10 0.61 0.00 0.00 0.00 173.10 173.82 3iup n GLY 287 N -0.60 2.76 0.36 0.20 0.00 -0.96 -3.55 105.19 103.39 3iup n GLY 287 Ca 0.06 -1.46 0.12 0.00 0.00 0.00 0.00 46.02 44.74 3iup n GLY 287 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 3iup h LEU 288 N 2.59 0.39 -8.40 0.99 3.38 -0.84 -3.35 115.31 110.07 3iup h LEU 288 Ca -0.02 0.01 -0.70 0.00 0.09 0.00 0.00 57.88 57.26 3iup h LEU 288 Cb 1.29 -0.07 -0.24 0.00 0.09 0.00 0.00 40.66 41.73 3iup h LEU 288 CO 0.36 0.23 -0.53 -0.62 0.09 0.00 0.00 178.44 177.98 3iup s ASP 289 N -6.20 5.68 0.00 -0.43 -1.08 0.43 -4.96 116.67 110.11 3iup s ASP 289 Ca -0.08 -0.91 0.21 0.00 -0.52 0.00 0.00 52.55 51.26 3iup s ASP 289 Cb 0.20 -2.01 0.85 0.00 -1.46 0.00 0.00 42.92 40.49 3iup s ASP 289 CO 0.75 -0.34 1.60 0.35 0.52 0.00 0.00 175.17 178.05 3iup n THR 290 N 4.99 0.16 -1.37 1.71 -2.24 -1.26 -1.68 114.28 114.59 3iup n THR 290 Ca -0.12 -0.28 -0.30 0.00 -2.27 0.00 0.00 64.05 61.08 3iup n THR 290 Cb 0.47 0.28 0.12 0.00 -2.10 0.00 0.00 70.33 69.09 3iup n THR 290 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 3iup s SER 291 N -1.62 3.86 0.46 3.42 1.04 -1.26 -4.96 113.70 114.64 3iup s SER 291 Ca 0.32 1.37 -0.25 0.00 0.48 0.00 0.00 55.95 57.88 3iup s SER 291 Cb 0.17 -2.06 -0.08 0.00 0.10 0.00 0.00 66.02 64.15 3iup s SER 291 CO 0.26 -2.38 1.37 -2.65 0.98 0.00 0.00 173.24 170.83 3iup n PRO 292 N -3.70 2.06 -2.17 4.02 -0.02 -1.26 -3.55 135.00 130.37 3iup n PRO 292 Ca 0.07 0.74 -0.41 0.00 -2.02 0.00 0.00 63.50 61.87 3iup n PRO 292 Cb 0.56 -2.54 -0.03 0.00 -0.02 0.00 0.00 33.50 31.47 3iup n PRO 292 CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 3iup s THR 293 N -1.21 3.12 -0.09 3.45 2.01 -1.26 -0.88 115.64 120.78 3iup s THR 293 Ca 0.63 0.90 -0.06 0.00 0.31 0.00 0.00 61.69 63.47 3iup s THR 293 Cb -0.46 -3.58 0.04 0.00 0.01 0.00 0.00 72.50 68.51 3iup s THR 293 CO 0.56 0.12 0.22 -0.70 -0.69 0.00 0.00 174.62 174.14 3iup s GLU 294 N 0.10 0.21 -0.06 4.92 2.12 -0.82 -4.87 118.70 120.30 3iup s GLU 294 Ca 0.59 0.43 -0.30 0.00 0.36 0.00 0.00 54.97 56.05 3iup s GLU 294 Cb -0.38 -0.03 0.07 0.00 0.26 0.00 0.00 34.13 34.05 3iup s GLU 294 CO 0.37 -0.11 0.66 -0.59 -0.54 0.00 0.00 175.26 175.05 3iup s PHE 295 N 0.82 -0.64 0.38 5.30 -0.12 -1.26 -4.31 117.98 118.15 3iup s PHE 295 Ca -0.06 1.12 -0.14 0.00 -0.05 0.00 0.00 56.93 57.81 3iup s PHE 295 Cb -0.07 0.39 -0.08 0.00 -0.63 0.00 0.00 43.02 42.63 3iup s PHE 295 CO -0.05 -0.59 0.78 -0.80 -0.05 0.00 0.00 175.22 174.52 3iup s ASN 296 N -1.12 6.66 -0.97 1.98 0.01 -1.26 -5.01 114.94 115.23 3iup s ASN 296 Ca -0.11 1.26 -0.02 0.00 -0.71 0.00 0.00 52.86 53.29 3iup s ASN 296 Cb -0.01 -2.37 0.28 0.00 0.41 0.00 0.00 41.25 39.56 3iup s ASN 296 CO 0.09 -0.33 1.20 0.54 -1.51 0.00 0.00 177.10 177.09 3iup n ARG 297 N -0.87 3.72 -2.21 -0.60 1.74 -1.26 -4.76 116.66 112.42 3iup n ARG 297 Ca 0.03 -4.56 -0.30 0.00 -0.77 0.00 0.00 57.85 52.25 3iup n ARG 297 Cb 0.54 -2.45 0.02 0.00 -1.02 0.00 0.00 32.46 29.54 3iup n ARG 297 CO 0.00 0.00 0.00 0.09 -1.52 0.00 0.00 177.63 176.20 3iup n ASN 298 N 1.52 5.57 -0.67 0.55 3.02 -1.26 -4.62 115.26 119.37 3iup n ASN 298 Ca 0.26 -3.76 0.01 0.00 -0.03 0.00 0.00 54.58 51.06 3iup n ASN 298 Cb 0.36 -0.61 0.01 0.00 -0.61 0.00 0.00 39.78 38.93 3iup n ASN 298 CO 0.00 0.00 0.00 2.22 -2.62 0.00 0.00 177.26 176.86 3iup n PHE 299 N -0.56 0.00 0.00 3.10 1.16 -1.26 -4.81 117.46 115.09 3iup n PHE 299 Ca 0.45 -0.11 0.00 0.00 -1.87 0.00 0.00 57.45 55.92 3iup n PHE 299 Cb 0.61 -0.07 0.00 0.00 -1.61 0.00 0.00 39.48 38.41 3iup n PHE 299 CO 0.00 0.00 0.00 0.41 -1.87 0.00 0.00 176.76 175.30 3iup n GLY 300 N 0.06 2.40 2.24 4.97 0.00 -1.26 -4.80 105.19 108.79 3iup n GLY 300 Ca 0.01 -0.26 -0.09 0.00 0.00 0.00 0.00 46.02 45.68 3iup n GLY 300 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3iup n ALA 302 N 9.26 -1.43 -2.93 4.61 0.00 -1.26 -5.00 120.51 123.76 3iup n ALA 302 Ca 0.00 0.01 -0.11 0.00 0.00 0.00 0.00 53.44 53.35 3iup n ALA 302 Cb 0.00 -0.43 -0.06 0.00 0.00 0.00 0.00 19.45 18.96 3iup n ALA 302 CO 0.00 0.00 0.00 1.67 0.00 0.00 0.00 177.50 179.17 3iup s TRP 303 N -1.27 -0.11 0.00 0.00 1.48 -1.26 -1.43 118.94 116.35 3iup s TRP 303 Ca 0.06 -0.15 0.00 0.00 -1.06 0.00 0.00 56.10 54.95 3iup s TRP 303 Cb -0.01 0.15 0.00 0.00 -1.16 0.00 0.00 33.47 32.45 3iup s TRP 303 CO 0.25 -0.60 0.00 0.41 -4.06 0.00 0.00 176.95 172.95 3iup n GLY 304 N 0.09 3.20 0.00 3.67 0.00 0.14 -4.92 105.19 107.38 3iup n GLY 304 Ca -0.17 -1.29 0.00 0.00 0.00 0.00 0.00 46.02 44.56 3iup n GLY 304 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3iup n GLY 306 N 0.00 1.35 3.82 -0.02 0.00 -0.72 -1.00 105.19 108.63 3iup n GLY 306 Ca 0.00 -1.58 -0.32 0.00 0.00 0.00 0.00 46.02 44.12 3iup n GLY 306 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3iup s GLY 307 N 0.00 1.86 -0.05 -0.02 0.00 -1.26 -0.35 107.32 107.51 3iup s GLY 307 Ca 0.00 0.17 -0.02 0.00 0.00 0.00 0.00 44.72 44.87 3iup s GLY 307 CO 0.00 0.47 0.11 0.86 0.00 0.00 0.00 173.10 174.54 3iup s TRP 308 N -2.82 -0.10 0.00 1.90 -0.00 -1.19 -4.78 118.94 111.95 3iup s TRP 308 Ca 0.59 0.34 0.02 0.00 -0.00 0.00 0.00 56.10 57.06 3iup s TRP 308 Cb -0.14 -0.08 -0.01 0.00 -0.00 0.00 0.00 33.47 33.24 3iup s TRP 308 CO 0.46 -0.12 -0.06 -0.51 -0.00 0.00 0.00 176.95 176.72 3iup s LEU 309 N 0.83 2.05 0.10 5.86 1.43 -1.26 -4.54 118.68 123.15 3iup s LEU 309 Ca -0.07 -0.18 -0.23 0.00 -1.03 0.00 0.00 54.13 52.63 3iup s LEU 309 Cb -0.09 -0.30 -0.12 0.00 0.03 0.00 0.00 46.19 45.71 3iup s LEU 309 CO -0.04 0.04 1.72 0.25 0.23 0.00 0.00 176.35 178.55 3iup h LEU 310 N 5.78 -0.16 -0.39 1.79 5.85 -1.97 -2.45 115.31 123.75 3iup h LEU 310 Ca -0.30 0.02 -0.04 0.00 0.84 0.00 0.00 57.88 58.40 3iup h LEU 310 Cb 1.19 0.06 -0.02 0.00 0.37 0.00 0.00 40.66 42.27 3iup h LEU 310 CO 0.49 -0.09 0.08 -0.26 -0.34 0.00 0.00 178.44 178.32 3iup h PHE 311 N -0.11 0.68 -0.78 1.25 -1.00 -1.99 -0.56 116.94 114.42 3iup h PHE 311 Ca 0.02 -0.09 0.03 0.00 2.81 0.00 0.00 57.97 60.73 3iup h PHE 311 Cb 0.13 -0.19 -0.04 0.00 3.61 0.00 0.00 35.95 39.46 3iup h PHE 311 CO -0.12 0.67 0.52 -1.35 -1.61 0.00 0.00 178.31 176.42 3iup h PRO 312 N 0.50 0.97 -0.12 1.51 0.11 -1.99 -1.26 132.00 131.71 3iup h PRO 312 Ca 0.12 -0.06 0.02 0.00 0.11 0.00 0.00 66.00 66.19 3iup h PRO 312 Cb 0.34 -0.22 -0.02 0.00 0.11 0.00 0.00 31.00 31.21 3iup h PRO 312 CO 0.00 0.64 -0.02 0.35 -0.21 0.00 0.00 178.00 178.77 3iup h PHE 313 N 1.00 -0.04 -0.44 0.65 3.57 -0.88 -1.39 116.94 119.40 3iup h PHE 313 Ca 0.30 0.01 -0.04 0.00 3.53 0.00 0.00 57.97 61.77 3iup h PHE 313 Cb -0.01 0.04 -0.02 0.00 2.79 0.00 0.00 35.95 38.74 3iup h PHE 313 CO -0.00 -0.04 0.09 -0.07 -2.23 0.00 0.00 178.31 176.07 3iup h LEU 314 N 0.01 0.62 -0.93 0.59 3.38 -0.56 -1.71 115.31 116.71 3iup h LEU 314 Ca 0.06 -0.10 -0.09 0.00 0.09 0.00 0.00 57.88 57.83 3iup h LEU 314 Cb 0.08 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 40.65 3iup h LEU 314 CO -0.11 0.63 -0.22 -0.61 0.09 0.00 0.00 178.44 178.22 3iup h GLN 315 N 0.65 0.53 -0.42 1.13 4.15 -1.02 -2.34 115.11 117.78 3iup h GLN 315 Ca 0.15 -0.19 -0.11 0.00 0.77 0.00 0.00 58.65 59.26 3iup h GLN 315 Cb 0.27 -0.04 -0.01 0.00 0.21 0.00 0.00 27.48 27.91 3iup h GLN 315 CO -0.00 0.72 -0.17 -0.22 -1.93 0.00 0.00 178.83 177.23 3iup h LYS 316 N 0.47 0.86 0.00 1.69 3.64 -0.35 -3.04 116.57 119.84 3iup h LYS 316 Ca 0.07 -0.36 0.00 0.00 -1.27 0.00 0.00 60.65 59.09 3iup h LYS 316 Cb 0.64 -0.03 0.00 0.00 -0.41 0.00 0.00 32.23 32.43 3iup h LYS 316 CO 0.05 1.00 -0.03 -0.84 -2.27 0.00 0.00 179.45 177.35 3iup h ILE 317 N 0.68 0.00 0.00 2.00 3.07 -1.43 -3.50 117.51 118.34 3iup h ILE 317 Ca 0.10 -0.93 0.00 0.00 1.55 0.00 0.00 64.86 65.58 3iup h ILE 317 Cb 0.72 1.91 0.00 0.00 -0.27 0.00 0.00 36.82 39.19 3iup h ILE 317 CO 0.05 0.00 0.00 0.61 -1.05 0.00 0.00 178.15 177.76 3iup n GLY 318 N 1.13 -0.61 0.17 0.16 0.00 -0.89 -4.31 105.19 100.85 3iup n GLY 318 Ca 0.04 -1.69 -0.06 0.00 0.00 0.00 0.00 46.02 44.31 3iup n GLY 318 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 3iup h ARG 319 N 0.00 0.28 -0.20 1.61 3.08 -1.88 -0.28 114.38 116.99 3iup h ARG 319 Ca 0.00 -0.21 -0.03 0.00 0.07 0.00 0.00 59.98 59.81 3iup h ARG 319 Cb 0.00 0.03 -0.01 0.00 0.08 0.00 0.00 29.97 30.08 3iup h ARG 319 CO 0.00 0.83 0.01 0.93 -1.07 0.00 0.00 179.97 180.66 3iup h GLU 320 N 0.20 0.36 -0.52 0.04 4.39 -1.97 -0.33 114.58 116.76 3iup h GLU 320 Ca -0.01 -0.11 -0.12 0.00 0.34 0.00 0.00 59.36 59.46 3iup h GLU 320 Cb 1.17 -0.03 -0.02 0.00 -0.10 0.00 0.00 28.75 29.77 3iup h GLU 320 CO 0.10 0.55 -0.16 -0.09 -1.16 0.00 0.00 179.01 178.25 3iup h ARG 321 N 0.12 1.01 -0.93 2.33 9.65 -1.71 -1.64 114.38 123.21 3iup h ARG 321 Ca 0.06 -0.40 0.08 0.00 -1.10 0.00 0.00 59.98 58.62 3iup h ARG 321 Cb 0.38 -0.05 -0.07 0.00 -1.39 0.00 0.00 29.97 28.84 3iup h ARG 321 CO 0.01 1.08 0.58 0.00 2.80 0.00 0.00 179.97 184.45 3iup h ALA 322 N 0.92 1.32 -0.60 2.80 0.00 -0.94 -1.40 119.26 121.35 3iup h ALA 322 Ca 0.13 -0.00 -0.05 0.00 0.00 0.00 0.00 54.91 54.98 3iup h ALA 322 Cb 0.73 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 18.25 3iup h ALA 322 CO 0.06 0.31 0.16 -0.91 0.00 0.00 0.00 179.25 178.86 3iup h ASN 323 N 1.03 0.87 -0.66 0.00 2.35 -0.55 -0.55 115.58 118.07 3iup h ASN 323 Ca 0.42 -0.16 -0.05 0.00 -0.55 0.00 0.00 56.30 55.96 3iup h ASN 323 Cb 0.25 -0.23 -0.03 0.00 0.05 0.00 0.00 38.32 38.36 3iup h ASN 323 CO -0.20 0.83 0.20 0.00 -1.65 0.00 0.00 177.43 176.61 3iup h ALA 324 N 1.28 0.86 -0.14 -0.83 0.00 -0.45 0.67 119.26 120.65 3iup h ALA 324 Ca 0.20 -0.22 -0.01 0.00 0.00 0.00 0.00 54.91 54.88 3iup h ALA 324 Cb 0.30 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.83 3iup h ALA 324 CO -0.00 0.54 0.07 -0.07 0.00 0.00 0.00 179.25 179.79 3iup h LEU 325 N 0.95 0.19 -1.27 0.00 3.38 -0.78 -2.51 115.31 115.28 3iup h LEU 325 Ca 0.21 -0.12 0.06 0.00 0.09 0.00 0.00 57.88 58.11 3iup h LEU 325 Cb 0.31 -0.05 -0.05 0.00 0.09 0.00 0.00 40.66 40.96 3iup h LEU 325 CO -0.01 0.26 0.53 0.11 0.09 0.00 0.00 178.44 179.42 3iup h LYS 326 N 0.10 0.88 -0.82 1.13 1.57 -0.78 -1.77 116.57 116.88 3iup h LYS 326 Ca 0.05 -0.05 -0.02 0.00 -1.87 0.00 0.00 60.65 58.76 3iup h LYS 326 Cb 0.12 -0.20 -0.04 0.00 0.08 0.00 0.00 32.23 32.19 3iup h LYS 326 CO -0.01 0.58 0.45 1.96 -0.57 0.00 0.00 179.45 181.86 3iup h GLN 327 N 0.90 1.14 -0.78 3.15 7.50 -0.74 -0.39 115.11 125.90 3iup h GLN 327 Ca 0.34 -0.13 -0.05 0.00 0.50 0.00 0.00 58.65 59.30 3iup h GLN 327 Cb 0.18 -0.22 -0.03 0.00 0.05 0.00 0.00 27.48 27.45 3iup h GLN 327 CO -0.11 0.84 0.28 -0.09 -1.50 0.00 0.00 178.83 178.25 3iup h ARG 328 N 1.14 1.18 -0.40 1.46 2.43 -0.92 -1.50 114.38 117.77 3iup h ARG 328 Ca 0.29 -0.23 -0.05 0.00 -0.81 0.00 0.00 59.98 59.18 3iup h ARG 328 Cb 0.03 -0.18 -0.02 0.00 -0.42 0.00 0.00 29.97 29.39 3iup h ARG 328 CO -0.05 0.98 0.06 0.28 -1.51 0.00 0.00 179.97 179.73 3iup h VAL 329 N 1.14 1.24 -0.83 0.20 2.07 -0.56 -1.01 116.25 118.51 3iup h VAL 329 Ca 0.26 -0.87 0.01 0.00 0.82 0.00 0.00 66.70 66.92 3iup h VAL 329 Cb 0.26 1.03 -0.04 0.00 -1.52 0.00 0.00 31.29 31.02 3iup h VAL 329 CO -0.02 0.30 0.55 0.58 0.02 0.00 0.00 177.57 179.00 3iup h VAL 330 N 0.52 1.20 -0.10 2.57 2.07 -0.99 -0.22 116.25 121.30 3iup h VAL 330 Ca 0.12 -0.38 -0.13 0.00 0.82 0.00 0.00 66.70 67.13 3iup h VAL 330 Cb 0.37 -0.01 -0.01 0.00 -1.52 0.00 0.00 31.29 30.12 3iup h VAL 330 CO 0.01 0.20 -0.50 0.00 0.02 0.00 0.00 177.57 177.30 3iup h ALA 331 N 1.31 0.97 -0.25 1.67 0.00 -0.87 -3.06 119.26 119.02 3iup h ALA 331 Ca 0.31 -0.48 -0.10 0.00 0.00 0.00 0.00 54.91 54.64 3iup h ALA 331 Cb -0.11 -0.09 -0.06 0.00 0.00 0.00 0.00 17.79 17.53 3iup h ALA 331 CO -0.07 0.66 -0.11 0.39 0.00 0.00 0.00 179.25 180.12 3iup n GLU 332 N -3.95 1.98 -0.31 0.00 1.02 -0.42 -4.83 120.64 114.12 3iup n GLU 332 Ca -0.02 -3.06 0.02 0.00 -0.02 0.00 0.00 57.16 54.08 3iup n GLU 332 Cb 0.55 -1.76 0.16 0.00 -0.02 0.00 0.00 31.44 30.37 3iup n GLU 332 CO 0.00 0.00 0.00 1.25 1.18 0.00 0.00 177.13 179.56 3iup h LEU 333 N 1.06 0.80 -1.39 -4.62 5.85 -0.93 -1.81 115.31 114.26 3iup h LEU 333 Ca 0.12 0.03 0.00 0.00 0.84 0.00 0.00 57.88 58.87 3iup h LEU 333 Cb 1.45 -0.13 0.00 0.00 0.37 0.00 0.00 40.66 42.35 3iup h LEU 333 CO 0.26 0.48 -0.02 0.29 -0.34 0.00 0.00 178.44 179.12 3iup n LYS 334 N -4.66 1.93 0.00 1.25 5.02 -1.26 -2.57 118.16 117.88 3iup n LYS 334 Ca 0.14 -1.39 0.00 0.00 -2.02 0.00 0.00 58.31 55.04 3iup n LYS 334 Cb 0.23 -1.47 0.00 0.00 -0.02 0.00 0.00 35.03 33.77 3iup n LYS 334 CO 0.00 0.00 0.00 0.25 -0.52 0.00 0.00 177.40 177.13 3iup n THR 335 N 0.68 0.00 -0.32 -0.18 -2.24 -0.76 -4.53 114.28 106.93 3iup n THR 335 Ca 0.16 0.00 0.10 0.00 -2.27 0.00 0.00 64.05 62.04 3iup n THR 335 Cb 0.47 -0.07 0.32 0.00 -2.10 0.00 0.00 70.33 68.94 3iup n THR 335 CO 0.00 0.00 0.00 0.74 -0.57 0.00 0.00 175.07 175.24 3iup h THR 336 N 0.00 0.86 -0.40 4.28 2.02 -1.75 -2.61 112.91 115.30 3iup h THR 336 Ca 0.00 -0.28 -0.05 0.00 0.77 0.00 0.00 66.41 66.85 3iup h THR 336 Cb 0.00 -0.04 -0.03 0.00 -1.74 0.00 0.00 68.15 66.34 3iup h THR 336 CO 0.00 0.15 0.04 0.49 0.37 0.00 0.00 175.52 176.57 3iup n PHE 337 N -4.60 1.41 -1.95 3.16 3.72 -0.76 -4.83 117.46 113.61 3iup n PHE 337 Ca 0.19 -0.98 -0.40 0.00 -0.05 0.00 0.00 57.45 56.21 3iup n PHE 337 Cb 0.43 -0.43 -0.00 0.00 -0.94 0.00 0.00 39.48 38.54 3iup n PHE 337 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 3iup s ALA 338 N -2.89 3.39 0.04 4.37 0.00 -0.99 -4.82 121.76 120.86 3iup s ALA 338 Ca 0.47 1.38 0.08 0.00 0.00 0.00 0.00 51.96 53.89 3iup s ALA 338 Cb 0.38 -3.54 -0.03 0.00 0.00 0.00 0.00 23.12 19.93 3iup s ALA 338 CO 0.10 -0.93 -0.21 -1.12 0.00 0.00 0.00 175.76 173.60 3iup s SER 339 N -0.48 3.57 -0.05 0.00 0.01 -1.26 -5.02 113.70 110.48 3iup s SER 339 Ca 0.55 -0.49 0.04 0.00 1.31 0.00 0.00 55.95 57.36 3iup s SER 339 Cb -0.42 -0.49 -0.02 0.00 0.21 0.00 0.00 66.02 65.30 3iup s SER 339 CO 0.55 0.25 -0.16 -1.00 0.41 0.00 0.00 173.24 173.29 3iup s HIS 340 N -0.89 2.64 -0.01 2.43 3.76 -1.26 -5.10 115.29 116.86 3iup s HIS 340 Ca 0.14 -0.23 0.06 0.00 -0.15 0.00 0.00 55.06 54.88 3iup s HIS 340 Cb -0.10 -1.61 -0.01 0.00 1.11 0.00 0.00 32.58 31.96 3iup s HIS 340 CO 0.04 0.13 -0.19 0.71 -0.85 0.00 0.00 174.74 174.58 3iup s TYR 341 N -0.67 1.71 -0.30 1.40 2.02 -1.26 -4.60 117.35 115.65 3iup s TYR 341 Ca 0.10 -0.32 0.19 0.00 -0.37 0.00 0.00 57.07 56.67 3iup s TYR 341 Cb -0.11 -1.10 0.19 0.00 -0.40 0.00 0.00 41.96 40.54 3iup s TYR 341 CO 0.00 -0.03 1.49 0.66 -1.57 0.00 0.00 175.55 176.11 3iup h SER 342 N 5.65 0.00 -4.76 2.29 4.64 -0.92 -3.47 113.55 116.98 3iup h SER 342 Ca -0.38 0.00 -0.07 0.00 -0.47 0.00 0.00 61.79 60.87 3iup h SER 342 Cb 1.14 0.00 -0.20 0.00 -0.31 0.00 0.00 62.40 63.04 3iup h SER 342 CO 0.48 0.24 0.10 -0.75 -0.87 0.00 0.00 176.83 176.03 3iup s LYS 343 N -3.10 0.94 -0.18 4.77 2.20 -1.25 -5.07 119.74 118.06 3iup s LYS 343 Ca 0.05 0.35 -0.03 0.00 -0.36 0.00 0.00 55.97 55.98 3iup s LYS 343 Cb 0.06 0.45 -0.02 0.00 -1.51 0.00 0.00 37.83 36.81 3iup s LYS 343 CO 0.71 -0.26 -0.06 -2.00 -0.36 0.00 0.00 175.35 173.38 3iup s GLU 344 N -0.86 3.46 0.19 4.03 2.12 -1.26 -0.68 118.70 125.71 3iup s GLU 344 Ca -0.09 -0.61 0.07 0.00 0.36 0.00 0.00 54.97 54.70 3iup s GLU 344 Cb -0.02 -2.89 -0.05 0.00 0.26 0.00 0.00 34.13 31.44 3iup s GLU 344 CO 0.07 0.03 -0.14 0.96 -0.54 0.00 0.00 175.26 175.65 3iup s ILE 345 N 0.88 1.62 0.80 -3.70 -4.36 0.42 -4.94 121.20 111.91 3iup s ILE 345 Ca -0.01 -2.13 -0.12 0.00 -0.26 0.00 0.00 60.65 58.12 3iup s ILE 345 Cb -0.15 -1.96 0.07 0.00 1.25 0.00 0.00 42.46 41.68 3iup s ILE 345 CO 0.01 -0.59 1.15 -0.94 0.24 0.00 0.00 174.94 174.80 3iup s SER 346 N -3.19 4.54 0.17 4.36 1.04 -1.26 -0.61 113.70 118.75 3iup s SER 346 Ca 0.20 0.92 -0.14 0.00 0.48 0.00 0.00 55.95 57.42 3iup s SER 346 Cb -0.01 -1.51 0.10 0.00 0.10 0.00 0.00 66.02 64.70 3iup s SER 346 CO 0.05 -1.90 1.80 -0.07 0.98 0.00 0.00 173.24 174.10 3iup h LEU 347 N -1.05 0.43 -0.92 2.42 3.38 -1.79 -2.54 115.31 115.24 3iup h LEU 347 Ca -0.47 0.01 0.04 0.00 0.09 0.00 0.00 57.88 57.56 3iup h LEU 347 Cb 1.31 -0.07 -0.06 0.00 0.09 0.00 0.00 40.66 41.93 3iup h LEU 347 CO 0.64 0.30 0.59 0.00 0.09 0.00 0.00 178.44 180.07 3iup h ALA 348 N 1.23 1.22 0.00 1.53 0.00 -1.92 -1.57 119.26 119.76 3iup h ALA 348 Ca 0.20 -0.04 -0.02 0.00 0.00 0.00 0.00 54.91 55.06 3iup h ALA 348 Cb 0.06 -0.31 -0.00 0.00 0.00 0.00 0.00 17.79 17.54 3iup h ALA 348 CO -0.11 0.44 -0.09 0.93 0.00 0.00 0.00 179.25 180.42 3iup h GLU 349 N 1.14 0.00 -0.47 0.00 5.08 -1.82 -1.80 114.58 116.71 3iup h GLU 349 Ca 0.37 0.00 0.09 0.00 -1.00 0.00 0.00 59.36 58.82 3iup h GLU 349 Cb 0.03 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.26 3iup h GLU 349 CO -0.13 0.09 0.32 0.28 -1.00 0.00 0.00 179.01 178.57 3iup h VAL 350 N 0.00 0.90 -0.58 3.13 2.07 -0.92 -2.01 116.25 118.84 3iup h VAL 350 Ca -0.00 -0.09 0.00 0.00 0.82 0.00 0.00 66.70 67.43 3iup h VAL 350 Cb 0.26 0.61 0.00 0.00 -1.52 0.00 0.00 31.29 30.64 3iup h VAL 350 CO 0.01 0.05 0.00 0.18 0.02 0.00 0.00 177.57 177.83 3iup n LEU 351 N -4.46 5.16 -4.67 2.57 4.77 -0.68 -4.59 117.00 115.10 3iup n LEU 351 Ca 0.07 -2.72 -0.41 0.00 -0.03 0.00 0.00 56.01 52.92 3iup n LEU 351 Cb 0.35 -0.62 -0.05 0.00 -2.33 0.00 0.00 43.42 40.77 3iup n LEU 351 CO 0.35 0.72 0.54 -0.62 -1.33 0.00 0.00 177.39 177.04 3iup s ASP 352 N -0.93 6.89 0.49 -1.43 -1.08 -0.76 -4.77 116.67 115.08 3iup s ASP 352 Ca 0.52 1.09 0.14 0.00 -0.52 0.00 0.00 52.55 53.77 3iup s ASP 352 Cb 0.37 -2.42 1.17 0.00 -1.46 0.00 0.00 42.92 40.58 3iup s ASP 352 CO 0.19 -0.35 2.12 -0.07 0.52 0.00 0.00 175.17 177.59 3iup h LEU 353 N 8.20 0.12 -1.65 -1.34 3.38 -1.89 -1.18 115.31 120.94 3iup h LEU 353 Ca -0.31 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.66 3iup h LEU 353 Cb 1.14 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 41.86 3iup h LEU 353 CO 0.82 0.08 0.00 0.47 0.09 0.00 0.00 178.44 179.90 3iup n ASP 354 N -4.52 1.01 0.00 -0.43 8.00 -1.26 -1.76 116.55 117.59 3iup n ASP 354 Ca -0.01 -0.88 0.00 0.00 0.71 0.00 0.00 54.79 54.61 3iup n ASP 354 Cb 0.09 -0.22 0.00 0.00 -0.02 0.00 0.00 41.12 40.97 3iup n ASP 354 CO 0.00 0.00 0.00 -0.38 -0.39 0.00 0.00 177.20 176.43 3iup n ILE 356 N 0.61 0.00 -0.25 0.53 5.41 -0.45 -3.52 119.36 121.70 3iup n ILE 356 Ca 0.00 0.00 0.13 0.00 1.00 0.00 0.00 62.75 63.88 3iup n ILE 356 Cb 0.18 0.00 0.41 0.00 -0.71 0.00 0.00 39.64 39.53 3iup n ILE 356 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 3iup h ALA 357 N 0.00 1.92 0.00 -1.39 0.00 -1.61 0.27 119.26 118.45 3iup h ALA 357 Ca 0.00 0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.91 3iup h ALA 357 Cb 0.00 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 17.69 3iup h ALA 357 CO 0.00 -0.16 -0.22 0.28 0.00 0.00 0.00 179.25 179.15 3iup h VAL 358 N 0.61 0.22 0.00 0.00 2.07 -1.85 -3.39 116.25 113.91 3iup h VAL 358 Ca 0.43 -1.19 -0.05 0.00 0.82 0.00 0.00 66.70 66.71 3iup h VAL 358 Cb 0.78 0.44 -0.01 0.00 -1.52 0.00 0.00 31.29 30.99 3iup h VAL 358 CO -0.19 0.07 -0.26 0.10 0.02 0.00 0.00 177.57 177.32 3iup h TYR 359 N -1.00 0.00 0.00 1.57 -0.00 -1.82 -1.66 116.97 114.06 3iup h TYR 359 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 58.73 58.71 3iup h TYR 359 Cb 0.32 0.00 0.00 0.00 0.00 0.00 0.00 36.73 37.05 3iup h TYR 359 CO -0.03 0.26 0.00 -1.71 -0.00 0.00 0.00 178.16 176.67 3iup n ASN 360 N -3.80 0.00 0.17 0.10 5.15 0.08 -2.70 115.26 114.26 3iup n ASN 360 Ca -0.01 -1.67 0.06 0.00 -0.60 0.00 0.00 54.58 52.35 3iup n ASN 360 Cb 0.35 0.00 0.15 0.00 -0.53 0.00 0.00 39.78 39.76 3iup n ASN 360 CO 0.00 0.00 0.00 0.11 1.40 0.00 0.00 177.26 178.77 3iup h LYS 361 N 0.00 0.00 -6.11 1.20 1.57 -1.48 -3.48 116.57 108.27 3iup h LYS 361 Ca 0.00 0.00 -0.46 0.00 -1.87 0.00 0.00 60.65 58.32 3iup h LYS 361 Cb 0.00 0.00 -0.04 0.00 0.08 0.00 0.00 32.23 32.27 3iup h LYS 361 CO 0.00 0.34 -0.73 0.54 -0.57 0.00 0.00 179.45 179.04 3iup n ARG 362 N -3.24 -5.16 -2.53 3.15 3.00 -1.10 -4.96 116.66 105.83 3iup n ARG 362 Ca 0.02 0.59 -0.37 0.00 -0.01 0.00 0.00 57.85 58.09 3iup n ARG 362 Cb 0.63 -5.46 -0.04 0.00 0.00 0.00 0.00 32.46 27.59 3iup n ARG 362 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 3iup s ALA 363 N -3.24 3.10 0.16 7.54 0.00 -1.26 -4.98 121.76 123.08 3iup s ALA 363 Ca 0.62 0.72 -0.34 0.00 0.00 0.00 0.00 51.96 52.96 3iup s ALA 363 Cb -0.31 -3.28 -0.15 0.00 0.00 0.00 0.00 23.12 19.38 3iup s ALA 363 CO 0.76 -0.22 1.45 2.41 0.00 0.00 0.00 175.76 180.16 3iup n THR 364 N -0.02 0.30 -0.92 0.00 -1.04 -1.26 -1.11 114.28 110.23 3iup n THR 364 Ca 0.05 -0.07 0.00 0.00 -2.04 0.00 0.00 64.05 61.98 3iup n THR 364 Cb 0.49 -1.29 0.00 0.00 -1.82 0.00 0.00 70.33 67.71 3iup n THR 364 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 3iup n GLY 365 N 2.79 0.37 2.22 3.41 0.00 -1.26 -4.88 105.19 107.84 3iup n GLY 365 Ca 0.16 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.94 3iup n GLY 365 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3iup n GLU 366 N -1.47 3.40 -2.97 1.61 1.02 -0.27 -3.93 120.64 118.03 3iup n GLU 366 Ca 0.00 -4.22 -0.40 0.00 -0.02 0.00 0.00 57.16 52.52 3iup n GLU 366 Cb 0.15 -2.21 -0.05 0.00 -0.02 0.00 0.00 31.44 29.30 3iup n GLU 366 CO 0.00 0.00 0.00 0.21 1.18 0.00 0.00 177.13 178.52 3iup s LYS 367 N -3.58 4.52 -0.01 3.49 2.20 -1.26 -4.58 119.74 120.52 3iup s LYS 367 Ca 0.48 1.11 -0.02 0.00 -0.36 0.00 0.00 55.97 57.18 3iup s LYS 367 Cb 0.40 -3.34 -0.04 0.00 -1.51 0.00 0.00 37.83 33.35 3iup s LYS 367 CO -0.04 0.36 0.15 0.71 -0.36 0.00 0.00 175.35 176.18 3iup s TYR 368 N -0.36 3.48 -0.12 4.03 1.51 -1.26 -0.51 117.35 124.12 3iup s TYR 368 Ca 0.38 0.32 -0.02 0.00 -1.01 0.00 0.00 57.07 56.74 3iup s TYR 368 Cb -0.21 -1.81 -0.03 0.00 -0.11 0.00 0.00 41.96 39.80 3iup s TYR 368 CO 0.24 0.62 -0.05 -1.17 -1.11 0.00 0.00 175.55 174.09 3iup s LEU 369 N -1.86 3.22 -0.20 -1.29 2.96 0.15 -2.06 118.68 119.59 3iup s LEU 369 Ca 0.26 -0.09 -0.11 0.00 -0.22 0.00 0.00 54.13 53.97 3iup s LEU 369 Cb -0.12 -1.75 -0.05 0.00 0.50 0.00 0.00 46.19 44.77 3iup s LEU 369 CO 0.17 0.24 0.16 -0.63 -1.32 0.00 0.00 176.35 174.97 3iup s ILE 370 N -0.06 5.39 -0.45 6.68 1.01 -0.25 -0.44 121.20 133.09 3iup s ILE 370 Ca 0.01 0.25 -0.06 0.00 0.00 0.00 0.00 60.65 60.85 3iup s ILE 370 Cb -0.13 -3.50 0.12 0.00 0.01 0.00 0.00 42.46 38.95 3iup s ILE 370 CO 0.03 0.42 0.28 0.21 0.00 0.00 0.00 174.94 175.87 3iup s ASN 371 N 0.49 5.47 0.64 3.58 3.84 0.23 -0.22 114.94 128.96 3iup s ASN 371 Ca 0.09 -2.01 0.37 0.00 0.21 0.00 0.00 52.86 51.52 3iup s ASN 371 Cb -0.12 -1.91 2.05 0.00 -0.55 0.00 0.00 41.25 40.71 3iup s ASN 371 CO -0.00 -0.61 2.22 -0.65 -2.79 0.00 0.00 177.10 175.27 3iup h PRO 372 N 8.19 0.00 -0.55 0.43 0.11 -1.80 -0.64 132.00 137.74 3iup h PRO 372 Ca -0.16 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.95 3iup h PRO 372 Cb 1.06 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.17 3iup h PRO 372 CO 0.77 0.00 0.00 0.09 -0.21 0.00 0.00 178.00 178.65 3iup n ASN 373 N -3.30 3.47 -4.66 -2.05 3.02 -1.24 -4.49 115.26 106.02 3iup n ASN 373 Ca -0.02 -2.00 -0.42 0.00 -0.03 0.00 0.00 54.58 52.11 3iup n ASN 373 Cb 0.18 -0.37 -0.03 0.00 -0.61 0.00 0.00 39.78 38.96 3iup n ASN 373 CO 0.00 0.00 0.00 -0.75 -2.62 0.00 0.00 177.26 173.89 3iup s LYS 374 N -1.01 4.06 -0.04 3.52 2.20 -0.25 -2.69 119.74 125.53 3iup s LYS 374 Ca 0.37 2.57 0.00 0.00 -0.36 0.00 0.00 55.97 58.55 3iup s LYS 374 Cb 0.19 -4.18 0.00 0.00 -1.51 0.00 0.00 37.83 32.33 3iup s LYS 374 CO 0.25 -1.05 0.00 0.41 -0.36 0.00 0.00 175.35 174.60 3iup n GLY 375 N 4.64 0.46 0.00 5.54 0.00 -1.26 -4.70 105.19 109.87 3iup n GLY 375 Ca 0.21 -0.15 0.00 0.00 0.00 0.00 0.00 46.02 46.08 3iup n GLY 375 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36