#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1n84 n LYS 4 N 0.00 0.00 -3.03 -0.67 4.81 -1.26 -4.79 118.16 113.22 1n84 n LYS 4 Ca 0.00 0.00 -0.40 0.00 -0.87 0.00 0.00 58.31 57.04 1n84 n LYS 4 Cb 0.00 0.00 -0.05 0.00 0.02 0.00 0.00 35.03 35.00 1n84 n LYS 4 CO 0.00 0.00 0.00 0.99 1.17 0.00 0.00 177.40 179.56 1n84 s THR 5 N -1.68 4.75 -0.29 3.15 2.01 -1.26 -2.41 115.64 119.91 1n84 s THR 5 Ca 0.00 1.55 -0.04 0.00 0.31 0.00 0.00 61.69 63.51 1n84 s THR 5 Cb 0.00 -4.08 0.03 0.00 0.01 0.00 0.00 72.50 68.46 1n84 s THR 5 CO 0.00 0.38 0.03 -0.69 -0.69 0.00 0.00 174.62 173.65 1n84 s VAL 6 N -0.12 3.44 -0.61 3.82 1.01 -0.02 -4.96 120.40 122.95 1n84 s VAL 6 Ca 0.37 -0.98 -0.28 0.00 0.00 0.00 0.00 61.98 61.09 1n84 s VAL 6 Cb -0.20 -2.83 0.03 0.00 0.00 0.00 0.00 36.38 33.38 1n84 s VAL 6 CO 0.22 0.04 1.22 -0.13 0.00 0.00 0.00 175.10 176.45 1n84 s ARG 7 N 1.39 3.45 0.07 2.72 0.52 -1.26 -1.85 118.95 123.98 1n84 s ARG 7 Ca -0.00 0.17 -0.21 0.00 -0.52 0.00 0.00 55.73 55.16 1n84 s ARG 7 Cb -0.18 -4.05 -0.06 0.00 0.52 0.00 0.00 34.95 31.18 1n84 s ARG 7 CO -0.00 -1.78 0.63 -0.46 0.02 0.00 0.00 175.30 173.71 1n84 s TRP 8 N 5.13 3.78 -0.34 -0.53 -0.11 0.72 0.18 118.94 127.78 1n84 s TRP 8 Ca 0.42 1.33 -0.18 0.00 1.22 0.00 0.00 56.10 58.89 1n84 s TRP 8 Cb -0.08 -2.60 -0.01 0.00 -1.50 0.00 0.00 33.47 29.28 1n84 s TRP 8 CO 0.24 0.48 0.52 0.00 -4.62 0.00 0.00 176.95 173.56 1n84 s ALA 10 N 2.39 3.56 -0.51 0.00 0.00 0.11 -4.78 121.76 122.53 1n84 s ALA 10 Ca 0.19 -0.72 -0.18 0.00 0.00 0.00 0.00 51.96 51.25 1n84 s ALA 10 Cb -0.15 -1.95 0.07 0.00 0.00 0.00 0.00 23.12 21.08 1n84 s ALA 10 CO 0.13 0.30 0.59 0.08 0.00 0.00 0.00 175.76 176.85 1n84 s VAL 11 N -0.01 4.94 0.10 0.00 1.01 -1.26 -0.69 120.40 124.49 1n84 s VAL 11 Ca 0.07 -0.65 0.00 0.00 0.00 0.00 0.00 61.98 61.40 1n84 s VAL 11 Cb -0.12 -4.28 0.00 0.00 0.00 0.00 0.00 36.38 31.98 1n84 s VAL 11 CO 0.00 -0.79 0.00 -0.24 0.00 0.00 0.00 175.10 174.07 1n84 n SER 12 N 6.00 -2.28 -0.28 3.32 2.88 0.17 -4.20 113.62 119.22 1n84 n SER 12 Ca -0.08 0.20 0.07 0.00 -1.33 0.00 0.00 58.87 57.73 1n84 n SER 12 Cb 0.45 -1.19 0.22 0.00 -0.75 0.00 0.00 64.21 62.94 1n84 n SER 12 CO 0.00 0.00 0.00 -0.33 -1.23 0.00 0.00 175.04 173.48 1n84 h GLU 13 N -0.36 0.50 -0.32 -1.46 4.39 -1.93 -1.99 114.58 113.41 1n84 h GLU 13 Ca -0.00 -0.03 -0.05 0.00 0.34 0.00 0.00 59.36 59.61 1n84 h GLU 13 Cb 0.35 -0.11 -0.01 0.00 -0.10 0.00 0.00 28.75 28.88 1n84 h GLU 13 CO 0.01 0.33 -0.01 0.45 -1.16 0.00 0.00 179.01 178.62 1n84 h HIS 14 N 0.51 0.62 -0.14 4.33 3.86 -1.90 -1.83 115.15 120.60 1n84 h HIS 14 Ca 0.46 -0.11 -0.13 0.00 -1.16 0.00 0.00 60.37 59.43 1n84 h HIS 14 Cb 0.71 -0.16 -0.01 0.00 1.06 0.00 0.00 27.41 29.01 1n84 h HIS 14 CO -0.13 0.70 -0.47 0.93 0.86 0.00 0.00 177.93 179.82 1n84 h GLU 15 N 0.36 0.36 -0.68 2.45 5.08 -1.71 -2.44 114.58 118.00 1n84 h GLU 15 Ca 0.09 -0.20 0.01 0.00 -1.00 0.00 0.00 59.36 58.25 1n84 h GLU 15 Cb 0.46 0.01 -0.03 0.00 0.50 0.00 0.00 28.75 29.69 1n84 h GLU 15 CO 0.02 0.76 0.44 0.00 -1.00 0.00 0.00 179.01 179.23 1n84 h ALA 16 N 1.21 0.86 -0.39 3.43 0.00 -1.17 0.33 119.26 123.53 1n84 h ALA 16 Ca 0.02 -0.05 -0.04 0.00 0.00 0.00 0.00 54.91 54.83 1n84 h ALA 16 Cb 0.94 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 18.44 1n84 h ALA 16 CO 0.08 0.30 0.08 1.15 0.00 0.00 0.00 179.25 180.85 1n84 h THR 17 N 0.92 1.23 -0.69 0.00 2.02 -1.19 -0.21 112.91 115.00 1n84 h THR 17 Ca 0.25 -0.82 -0.05 0.00 0.77 0.00 0.00 66.41 66.56 1n84 h THR 17 Cb -0.09 1.03 -0.03 0.00 -1.74 0.00 0.00 68.15 67.31 1n84 h THR 17 CO -0.05 0.28 0.22 0.50 0.37 0.00 0.00 175.52 176.84 1n84 h LYS 18 N 0.48 1.06 -0.59 6.66 3.64 -1.00 -2.21 116.57 124.61 1n84 h LYS 18 Ca 0.12 -0.21 -0.02 0.00 -1.27 0.00 0.00 60.65 59.26 1n84 h LYS 18 Cb 0.34 -0.16 -0.03 0.00 -0.41 0.00 0.00 32.23 31.97 1n84 h LYS 18 CO 0.00 0.90 0.29 0.00 -2.27 0.00 0.00 179.45 178.37 1n84 h GLN 20 N 0.81 0.93 -0.34 0.00 4.20 -0.68 0.46 115.11 120.50 1n84 h GLN 20 Ca 0.20 -0.13 -0.14 0.00 0.06 0.00 0.00 58.65 58.64 1n84 h GLN 20 Cb 0.11 -0.17 -0.01 0.00 0.30 0.00 0.00 27.48 27.71 1n84 h GLN 20 CO -0.03 0.73 -0.36 0.77 -0.67 0.00 0.00 178.83 179.27 1n84 h SER 21 N 0.93 0.84 -0.34 1.46 0.02 -1.01 -1.11 113.55 114.34 1n84 h SER 21 Ca 0.23 -0.36 -0.01 0.00 -0.84 0.00 0.00 61.79 60.80 1n84 h SER 21 Cb 0.11 -0.23 -0.02 0.00 0.14 0.00 0.00 62.40 62.40 1n84 h SER 21 CO -0.03 1.11 0.18 0.15 -1.14 0.00 0.00 176.83 177.10 1n84 h PHE 22 N 0.66 0.47 0.12 3.45 3.57 -0.43 -0.50 116.94 124.27 1n84 h PHE 22 Ca 0.06 -0.02 -0.01 0.00 3.53 0.00 0.00 57.97 61.54 1n84 h PHE 22 Cb 0.91 -0.15 0.00 0.00 2.79 0.00 0.00 35.95 39.51 1n84 h PHE 22 CO 0.05 0.39 -0.06 -0.09 -2.23 0.00 0.00 178.31 176.37 1n84 h ARG 23 N 0.41 -0.15 -0.38 1.11 2.43 -0.82 -2.06 114.38 114.92 1n84 h ARG 23 Ca 0.12 0.01 0.01 0.00 -0.81 0.00 0.00 59.98 59.31 1n84 h ARG 23 Cb 0.08 0.03 -0.02 0.00 -0.42 0.00 0.00 29.97 29.64 1n84 h ARG 23 CO -0.02 -0.09 0.24 -0.44 -1.51 0.00 0.00 179.97 178.15 1n84 h ASP 24 N -0.17 0.40 0.16 -3.80 3.32 -1.00 -2.23 116.42 113.09 1n84 h ASP 24 Ca -0.02 -0.00 -0.09 0.00 0.02 0.00 0.00 57.03 56.94 1n84 h ASP 24 Cb 0.13 -0.09 -0.01 0.00 0.22 0.00 0.00 39.33 39.58 1n84 h ASP 24 CO 0.03 0.29 -0.33 0.45 -1.72 0.00 0.00 179.24 177.96 1n84 h HIS 25 N 0.48 0.29 0.00 4.55 3.86 -1.05 -2.30 115.15 120.98 1n84 h HIS 25 Ca 0.15 -0.06 -0.08 0.00 -1.16 0.00 0.00 60.37 59.21 1n84 h HIS 25 Cb -0.02 -0.07 -0.01 0.00 1.06 0.00 0.00 27.41 28.36 1n84 h HIS 25 CO -0.06 0.56 -0.40 0.52 0.86 0.00 0.00 177.93 179.41 1n84 h MET 26 N 0.22 0.00 -0.14 2.45 2.86 -1.18 -2.43 114.93 116.72 1n84 h MET 26 Ca 0.03 0.00 -0.09 0.00 -2.06 0.00 0.00 59.70 57.58 1n84 h MET 26 Cb 0.69 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.34 1n84 h MET 26 CO 0.05 0.40 -0.33 0.87 1.06 0.00 0.00 176.91 178.96 1n84 h LYS 27 N 0.00 0.27 -0.13 1.72 1.57 -0.83 -1.05 116.57 118.12 1n84 h LYS 27 Ca -0.00 -0.11 0.00 0.00 -1.87 0.00 0.00 60.65 58.67 1n84 h LYS 27 Cb 0.79 -0.01 0.00 0.00 0.08 0.00 0.00 32.23 33.09 1n84 h LYS 27 CO 0.05 0.57 0.00 -1.13 -0.57 0.00 0.00 179.45 178.38 1n84 n SER 28 N -4.09 1.71 0.00 0.86 3.41 -0.93 -4.19 113.62 110.39 1n84 n SER 28 Ca -0.01 -1.67 0.00 0.00 -0.26 0.00 0.00 58.87 56.93 1n84 n SER 28 Cb 0.42 -0.08 0.00 0.00 -0.26 0.00 0.00 64.21 64.29 1n84 n SER 28 CO 0.00 0.00 0.00 1.33 -0.16 0.00 0.00 175.04 176.21 1n84 n VAL 29 N 0.35 0.00 -3.58 -3.33 0.24 -1.12 -5.05 118.33 105.84 1n84 n VAL 29 Ca 0.17 0.00 -0.37 0.00 -2.04 0.00 0.00 64.34 62.10 1n84 n VAL 29 Cb 0.35 -0.09 -0.06 0.00 -1.47 0.00 0.00 33.84 32.57 1n84 n VAL 29 CO 0.00 0.00 0.00 -0.63 -2.14 0.00 0.00 176.83 174.06 1n84 s ILE 30 N -1.57 5.20 0.62 1.34 -1.09 -0.41 -5.07 121.20 120.22 1n84 s ILE 30 Ca 0.00 0.65 -0.18 0.00 -2.23 0.00 0.00 60.65 58.89 1n84 s ILE 30 Cb 0.00 -3.63 -0.02 0.00 -1.58 0.00 0.00 42.46 37.23 1n84 s ILE 30 CO 0.00 0.53 1.21 -2.16 -1.23 0.00 0.00 174.94 173.29 1n84 s PRO 31 N -0.64 2.82 0.58 2.79 0.04 -1.26 -4.81 135.00 134.52 1n84 s PRO 31 Ca 0.20 1.80 0.40 0.00 0.04 0.00 0.00 61.00 63.45 1n84 s PRO 31 Cb -0.15 -1.91 1.38 0.00 0.04 0.00 0.00 34.50 33.86 1n84 s PRO 31 CO 0.09 -1.32 1.44 -1.13 0.04 0.00 0.00 177.00 176.13 1n84 n SER 32 N -1.82 0.00 -1.55 6.66 3.41 -1.26 0.14 113.62 119.19 1n84 n SER 32 Ca 0.13 0.89 0.08 0.00 -0.26 0.00 0.00 58.87 59.71 1n84 n SER 32 Cb 0.50 -0.39 0.36 0.00 -0.26 0.00 0.00 64.21 64.41 1n84 n SER 32 CO 0.00 0.00 0.00 -0.90 -0.16 0.00 0.00 175.04 173.98 1n84 n ASP 33 N -3.62 5.09 -4.99 4.04 5.68 -1.26 -4.98 116.55 116.51 1n84 n ASP 33 Ca 0.35 -2.93 -0.19 0.00 -0.50 0.00 0.00 54.79 51.53 1n84 n ASP 33 Cb 1.81 -0.63 0.04 0.00 -1.14 0.00 0.00 41.12 41.20 1n84 n ASP 33 CO 0.00 0.00 0.00 -0.83 -1.33 0.00 0.00 177.20 175.04 1n84 s GLY 34 N -1.16 1.85 0.57 6.12 0.00 0.36 -4.63 107.32 110.44 1n84 s GLY 34 Ca 0.50 -1.78 -0.20 0.00 0.00 0.00 0.00 44.72 43.25 1n84 s GLY 34 CO 0.14 -1.47 1.20 2.56 0.00 0.00 0.00 173.10 175.53 1n84 s PRO 35 N -4.55 3.14 0.17 2.90 0.04 -1.26 -4.46 135.00 130.98 1n84 s PRO 35 Ca 0.58 1.81 0.03 0.00 0.04 0.00 0.00 61.00 63.46 1n84 s PRO 35 Cb -0.08 -2.01 -0.05 0.00 0.04 0.00 0.00 34.50 32.40 1n84 s PRO 35 CO 0.36 -1.07 -0.04 -1.54 0.04 0.00 0.00 177.00 174.75 1n84 s SER 36 N -1.56 1.60 0.01 6.66 1.04 -1.01 -4.97 113.70 115.47 1n84 s SER 36 Ca 0.75 -1.12 0.05 0.00 0.48 0.00 0.00 55.95 56.11 1n84 s SER 36 Cb -0.30 0.04 -0.03 0.00 0.10 0.00 0.00 66.02 65.83 1n84 s SER 36 CO 0.33 -0.46 -0.11 -0.69 0.98 0.00 0.00 173.24 173.29 1n84 s VAL 37 N -3.46 3.29 0.05 5.02 1.01 -1.26 -0.84 120.40 124.20 1n84 s VAL 37 Ca 0.22 -0.91 0.07 0.00 0.00 0.00 0.00 61.98 61.36 1n84 s VAL 37 Cb 0.05 -2.40 -0.02 0.00 0.00 0.00 0.00 36.38 34.00 1n84 s VAL 37 CO 0.03 0.40 -0.19 0.00 0.00 0.00 0.00 175.10 175.34 1n84 s ALA 38 N -0.94 1.63 -0.24 5.51 0.00 -0.77 -4.84 121.76 122.10 1n84 s ALA 38 Ca 0.16 -1.02 -0.03 0.00 0.00 0.00 0.00 51.96 51.07 1n84 s ALA 38 Cb -0.11 -0.30 0.01 0.00 0.00 0.00 0.00 23.12 22.72 1n84 s ALA 38 CO 0.06 0.35 -0.04 0.00 0.00 0.00 0.00 175.76 176.14 1n84 s VAL 40 N 1.43 4.20 -0.14 0.00 1.01 0.25 -4.96 120.40 122.18 1n84 s VAL 40 Ca 0.04 -0.38 -0.17 0.00 0.00 0.00 0.00 61.98 61.46 1n84 s VAL 40 Cb -0.15 -3.05 -0.04 0.00 0.00 0.00 0.00 36.38 33.14 1n84 s VAL 40 CO -0.03 0.22 0.42 -0.75 0.00 0.00 0.00 175.10 174.97 1n84 s LYS 41 N 1.57 4.30 0.22 2.72 2.20 -1.26 0.06 119.74 129.56 1n84 s LYS 41 Ca 0.05 0.34 0.04 0.00 -0.36 0.00 0.00 55.97 56.03 1n84 s LYS 41 Cb -0.16 -3.45 -0.05 0.00 -1.51 0.00 0.00 37.83 32.66 1n84 s LYS 41 CO 0.03 0.15 -0.02 0.15 -0.36 0.00 0.00 175.35 175.30 1n84 s LYS 42 N 0.68 1.31 0.25 4.03 -0.14 0.13 -4.95 119.74 121.06 1n84 s LYS 42 Ca 0.23 -1.65 0.14 0.00 -1.36 0.00 0.00 55.97 53.33 1n84 s LYS 42 Cb -0.14 -0.67 0.02 0.00 -1.68 0.00 0.00 37.83 35.36 1n84 s LYS 42 CO 0.08 -0.06 1.42 0.00 -0.76 0.00 0.00 175.35 176.03 1n84 h ALA 43 N 2.50 0.62 -2.79 5.17 0.00 -1.94 0.48 119.26 123.31 1n84 h ALA 43 Ca -0.38 -0.53 -0.07 0.00 0.00 0.00 0.00 54.91 53.93 1n84 h ALA 43 Cb 1.22 -0.09 -0.10 0.00 0.00 0.00 0.00 17.79 18.82 1n84 h ALA 43 CO 0.65 0.72 -0.16 -1.54 0.00 0.00 0.00 179.25 178.92 1n84 s SER 44 N -6.50 -0.08 0.46 0.00 1.04 -1.26 -4.57 113.70 102.80 1n84 s SER 44 Ca 0.03 -0.88 0.20 0.00 0.48 0.00 0.00 55.95 55.79 1n84 s SER 44 Cb 0.08 0.55 1.13 0.00 0.10 0.00 0.00 66.02 67.88 1n84 s SER 44 CO 0.76 -1.07 1.98 0.10 0.98 0.00 0.00 173.24 175.99 1n84 h TYR 45 N 2.32 0.00 -0.52 5.02 -0.00 -1.93 -2.43 116.97 119.43 1n84 h TYR 45 Ca -0.28 0.00 -0.12 0.00 -0.00 0.00 0.00 58.73 58.34 1n84 h TYR 45 Cb 1.25 0.00 -0.02 0.00 -0.00 0.00 0.00 36.73 37.96 1n84 h TYR 45 CO 0.39 0.20 -0.13 1.25 -0.00 0.00 0.00 178.16 179.87 1n84 h LEU 46 N 0.00 0.99 -1.15 0.10 5.85 -1.95 -2.30 115.31 116.86 1n84 h LEU 46 Ca -0.00 -0.34 -0.07 0.00 0.84 0.00 0.00 57.88 58.31 1n84 h LEU 46 Cb 0.43 -0.27 -0.01 0.00 0.37 0.00 0.00 40.66 41.18 1n84 h LEU 46 CO 0.03 1.12 -0.34 0.44 -0.34 0.00 0.00 178.44 179.34 1n84 h ASP 47 N 0.87 0.00 -0.36 1.25 3.32 -1.85 -2.71 116.42 116.94 1n84 h ASP 47 Ca 0.13 0.00 -0.15 0.00 0.02 0.00 0.00 57.03 57.03 1n84 h ASP 47 Cb 0.69 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.24 1n84 h ASP 47 CO 0.05 0.34 -0.36 0.00 -1.72 0.00 0.00 179.24 177.56 1n84 h ILE 49 N 0.68 1.10 -0.07 0.00 2.04 -1.21 -1.24 117.51 118.82 1n84 h ILE 49 Ca 0.06 -0.29 0.00 0.00 1.00 0.00 0.00 64.86 65.63 1n84 h ILE 49 Cb 0.95 1.15 -0.00 0.00 -0.74 0.00 0.00 36.82 38.18 1n84 h ILE 49 CO 0.09 0.09 0.05 0.03 0.00 0.00 0.00 178.15 178.40 1n84 h ARG 50 N 0.01 0.10 -0.77 2.37 2.47 -1.47 -2.08 114.38 115.00 1n84 h ARG 50 Ca 0.03 -0.01 0.12 0.00 -1.26 0.00 0.00 59.98 58.86 1n84 h ARG 50 Cb 0.10 -0.02 -0.08 0.00 -1.65 0.00 0.00 29.97 28.32 1n84 h ARG 50 CO -0.00 0.07 0.38 0.00 0.56 0.00 0.00 179.97 180.98 1n84 h ALA 51 N 1.02 1.11 -0.30 0.04 0.00 -1.04 0.21 119.26 120.30 1n84 h ALA 51 Ca 0.03 0.07 -0.06 0.00 0.00 0.00 0.00 54.91 54.95 1n84 h ALA 51 Cb -0.01 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 17.75 1n84 h ALA 51 CO -0.01 -0.08 -0.04 0.82 0.00 0.00 0.00 179.25 179.95 1n84 h ILE 52 N 0.60 1.27 -0.09 0.00 2.04 -1.01 0.46 117.51 120.78 1n84 h ILE 52 Ca 0.40 -1.04 -0.03 0.00 1.00 0.00 0.00 64.86 65.19 1n84 h ILE 52 Cb 0.51 1.35 -0.01 0.00 -0.74 0.00 0.00 36.82 37.92 1n84 h ILE 52 CO -0.32 0.33 -0.10 0.00 0.00 0.00 0.00 178.15 178.06 1n84 h ALA 53 N 0.81 1.68 -0.14 1.87 0.00 -0.63 -1.67 119.26 121.17 1n84 h ALA 53 Ca 0.08 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.85 1n84 h ALA 53 Cb 0.50 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.24 1n84 h ALA 53 CO 0.02 0.24 0.00 0.00 0.00 0.00 0.00 179.25 179.51 1n84 n ALA 54 N -2.50 2.54 -2.79 0.00 0.00 0.66 -4.93 120.51 113.48 1n84 n ALA 54 Ca -0.01 -0.44 -0.16 0.00 0.00 0.00 0.00 53.44 52.83 1n84 n ALA 54 Cb 0.21 -1.13 0.03 0.00 0.00 0.00 0.00 19.45 18.56 1n84 n ALA 54 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 1n84 n ASN 55 N 0.09 -4.88 -0.03 0.00 5.15 -0.63 -4.91 115.26 110.06 1n84 n ASN 55 Ca 0.15 -0.20 0.06 0.00 -0.60 0.00 0.00 54.58 53.99 1n84 n ASN 55 Cb 0.27 -3.74 -0.16 0.00 -0.53 0.00 0.00 39.78 35.62 1n84 n ASN 55 CO 0.00 0.00 0.00 -0.62 1.40 0.00 0.00 177.26 178.04 1n84 n GLU 56 N -3.11 0.67 -4.11 1.20 -0.58 0.16 -5.00 120.64 109.87 1n84 n GLU 56 Ca -0.09 -0.15 -0.13 0.00 -0.42 0.00 0.00 57.16 56.38 1n84 n GLU 56 Cb 0.59 -1.51 -0.06 0.00 -0.57 0.00 0.00 31.44 29.89 1n84 n GLU 56 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1n84 s ALA 57 N -3.25 0.65 0.00 0.62 0.00 -1.14 -4.94 121.76 113.70 1n84 s ALA 57 Ca -0.08 -1.41 0.00 0.00 0.00 0.00 0.00 51.96 50.46 1n84 s ALA 57 Cb 0.12 1.22 0.00 0.00 0.00 0.00 0.00 23.12 24.45 1n84 s ALA 57 CO 0.87 -0.75 0.00 -0.25 0.00 0.00 0.00 175.76 175.63 1n84 n ASP 58 N -0.81 4.83 -3.74 0.00 8.00 0.13 -4.22 116.55 120.74 1n84 n ASP 58 Ca 0.01 0.00 -0.10 0.00 0.71 0.00 0.00 54.79 55.41 1n84 n ASP 58 Cb 0.63 0.51 -0.06 0.00 -0.02 0.00 0.00 41.12 42.18 1n84 n ASP 58 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1n84 s ALA 59 N -1.96 -0.61 -0.16 2.24 0.00 -1.01 -4.46 121.76 115.79 1n84 s ALA 59 Ca 0.00 -0.31 -0.29 0.00 0.00 0.00 0.00 51.96 51.35 1n84 s ALA 59 Cb 0.00 0.61 0.11 0.00 0.00 0.00 0.00 23.12 23.85 1n84 s ALA 59 CO 0.00 -0.59 0.93 0.54 0.00 0.00 0.00 175.76 176.64 1n84 s VAL 60 N -3.83 0.00 -0.10 0.00 0.11 -1.24 -0.84 120.40 114.50 1n84 s VAL 60 Ca 0.04 0.00 -0.13 0.00 -2.93 0.00 0.00 61.98 58.96 1n84 s VAL 60 Cb 0.03 -1.00 -0.05 0.00 -1.53 0.00 0.00 36.38 33.83 1n84 s VAL 60 CO -0.11 0.00 0.30 -0.89 -3.33 0.00 0.00 175.10 171.07 1n84 s THR 61 N -0.91 5.26 0.03 5.04 2.01 -1.26 -1.85 115.64 123.96 1n84 s THR 61 Ca -0.03 0.58 0.04 0.00 0.31 0.00 0.00 61.69 62.59 1n84 s THR 61 Cb -0.01 -3.62 -0.02 0.00 0.01 0.00 0.00 72.50 68.87 1n84 s THR 61 CO 0.02 0.49 -0.11 -0.76 -0.69 0.00 0.00 174.62 173.57 1n84 s LEU 62 N -0.29 2.14 0.55 4.42 1.43 0.08 -4.96 118.68 122.05 1n84 s LEU 62 Ca 0.19 -0.38 -0.21 0.00 -1.03 0.00 0.00 54.13 52.69 1n84 s LEU 62 Cb -0.14 -0.48 -0.05 0.00 0.03 0.00 0.00 46.19 45.55 1n84 s LEU 62 CO 0.07 0.02 1.27 -0.62 0.23 0.00 0.00 176.35 177.32 1n84 s ASP 63 N -0.93 5.37 0.29 2.29 2.15 -1.26 -1.42 116.67 123.16 1n84 s ASP 63 Ca 0.00 2.56 0.05 0.00 0.43 0.00 0.00 52.55 55.59 1n84 s ASP 63 Cb -0.07 -2.62 0.70 0.00 -0.30 0.00 0.00 42.92 40.64 1n84 s ASP 63 CO 0.01 -1.48 1.77 0.00 -0.17 0.00 0.00 175.17 175.29 1n84 h ALA 64 N 1.34 1.59 -0.93 3.66 0.00 -1.78 0.07 119.26 123.21 1n84 h ALA 64 Ca -0.50 0.09 0.06 0.00 0.00 0.00 0.00 54.91 54.55 1n84 h ALA 64 Cb 1.29 -0.06 -0.06 0.00 0.00 0.00 0.00 17.79 18.96 1n84 h ALA 64 CO 0.57 -0.07 0.59 0.78 0.00 0.00 0.00 179.25 181.11 1n84 h GLY 65 N 0.72 1.40 2.00 0.00 0.00 -1.90 -0.36 103.07 104.92 1n84 h GLY 65 Ca 0.56 -0.43 -0.03 0.00 0.00 0.00 0.00 47.33 47.43 1n84 h GLY 65 CO -0.39 0.31 -0.14 1.41 0.00 0.00 0.00 176.54 177.72 1n84 h LEU 66 N 1.08 0.00 -1.03 3.11 3.38 -1.08 -2.91 115.31 117.85 1n84 h LEU 66 Ca 0.40 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 58.32 1n84 h LEU 66 Cb 0.16 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.88 1n84 h LEU 66 CO -0.17 0.14 0.13 0.58 0.09 0.00 0.00 178.44 179.21 1n84 h VAL 67 N 0.00 1.22 0.29 1.22 2.07 -0.12 -1.94 116.25 118.99 1n84 h VAL 67 Ca -0.00 -0.81 -0.01 0.00 0.82 0.00 0.00 66.70 66.69 1n84 h VAL 67 Cb 0.78 0.68 0.00 0.00 -1.52 0.00 0.00 31.29 31.23 1n84 h VAL 67 CO 0.02 0.30 -0.14 0.22 0.02 0.00 0.00 177.57 177.99 1n84 h TYR 68 N 0.79 -0.36 -0.65 1.57 3.20 -1.31 -2.55 116.97 117.67 1n84 h TYR 68 Ca 0.17 -0.01 0.08 0.00 3.14 0.00 0.00 58.73 62.11 1n84 h TYR 68 Cb 0.29 0.12 -0.06 0.00 1.54 0.00 0.00 36.73 38.62 1n84 h TYR 68 CO 0.02 -0.22 0.32 -0.44 -1.64 0.00 0.00 178.16 176.19 1n84 h ASP 69 N -0.39 0.43 -0.28 -2.11 5.19 -1.60 -1.96 116.42 115.70 1n84 h ASP 69 Ca -0.04 0.05 0.08 0.00 -0.62 0.00 0.00 57.03 56.50 1n84 h ASP 69 Cb 0.30 -0.02 -0.01 0.00 0.18 0.00 0.00 39.33 39.77 1n84 h ASP 69 CO 0.06 0.26 0.22 0.00 -3.12 0.00 0.00 179.24 176.67 1n84 h ALA 70 N 1.38 2.14 0.16 3.45 0.00 -1.04 -2.51 119.26 122.85 1n84 h ALA 70 Ca 0.31 -0.01 -0.29 0.00 0.00 0.00 0.00 54.91 54.92 1n84 h ALA 70 Cb 0.28 0.02 0.01 0.00 0.00 0.00 0.00 17.79 18.11 1n84 h ALA 70 CO -0.23 -0.37 -1.31 -0.92 0.00 0.00 0.00 179.25 176.42 1n84 h TYR 71 N 0.00 0.61 -3.37 0.00 5.03 -0.96 0.53 116.97 118.82 1n84 h TYR 71 Ca 0.13 -0.44 -0.56 0.00 2.58 0.00 0.00 58.73 60.44 1n84 h TYR 71 Cb 0.58 -0.02 0.18 0.00 1.55 0.00 0.00 36.73 39.02 1n84 h TYR 71 CO 0.00 1.35 -0.26 1.28 -1.32 0.00 0.00 178.16 179.21 1n84 n LEU 72 N -3.57 1.53 -4.82 2.82 4.77 -0.95 -2.83 117.00 113.95 1n84 n LEU 72 Ca -0.11 0.61 -0.32 0.00 -0.03 0.00 0.00 56.01 56.16 1n84 n LEU 72 Cb 1.04 -1.27 0.01 0.00 -2.33 0.00 0.00 43.42 40.87 1n84 n LEU 72 CO 0.55 -2.83 0.71 0.00 -1.33 0.00 0.00 177.39 174.49 1n84 s ALA 73 N -1.90 2.84 -1.30 -1.18 0.00 -1.26 -1.77 121.76 117.19 1n84 s ALA 73 Ca 0.67 0.25 0.08 0.00 0.00 0.00 0.00 51.96 52.97 1n84 s ALA 73 Cb -0.35 -3.18 0.34 0.00 0.00 0.00 0.00 23.12 19.93 1n84 s ALA 73 CO 0.56 -0.72 1.16 -0.35 0.00 0.00 0.00 175.76 176.41 1n84 n PRO 74 N -2.14 2.31 -0.06 0.00 -0.04 -1.26 -4.87 135.00 128.93 1n84 n PRO 74 Ca 0.08 -1.34 -0.17 0.00 -0.04 0.00 0.00 63.50 62.03 1n84 n PRO 74 Cb 0.53 -1.57 -0.13 0.00 -0.04 0.00 0.00 33.50 32.29 1n84 n PRO 74 CO 0.00 0.00 0.00 -0.91 -0.04 0.00 0.00 175.50 174.55 1n84 h ASN 75 N 1.90 0.08 -6.41 3.54 4.21 -1.72 -3.48 115.58 113.70 1n84 h ASN 75 Ca 0.00 -0.88 -0.49 0.00 1.21 0.00 0.00 56.30 56.14 1n84 h ASN 75 Cb 0.83 -0.03 -0.07 0.00 -1.12 0.00 0.00 38.32 37.93 1n84 h ASN 75 CO 0.12 1.19 -0.80 0.59 -1.29 0.00 0.00 177.43 177.24 1n84 n ASN 76 N -4.47 -3.48 -4.87 5.81 5.03 -0.73 -4.82 115.26 107.73 1n84 n ASN 76 Ca -0.16 -0.87 -0.31 0.00 0.87 0.00 0.00 54.58 54.11 1n84 n ASN 76 Cb 0.59 -3.52 0.02 0.00 -1.02 0.00 0.00 39.78 35.85 1n84 n ASN 76 CO 0.00 0.00 0.00 -0.76 -1.83 0.00 0.00 177.26 174.67 1n84 s LEU 77 N -7.17 3.14 0.05 3.41 1.43 0.17 -4.12 118.68 115.58 1n84 s LEU 77 Ca 0.53 1.33 0.04 0.00 -1.03 0.00 0.00 54.13 54.99 1n84 s LEU 77 Cb -0.27 -4.30 -0.03 0.00 0.03 0.00 0.00 46.19 41.62 1n84 s LEU 77 CO 0.86 -1.01 -0.11 -1.59 0.23 0.00 0.00 176.35 174.73 1n84 s LYS 78 N -5.23 0.69 0.03 1.70 -2.85 -0.45 -4.00 119.74 109.63 1n84 s LYS 78 Ca 0.56 -0.82 -0.30 0.00 -1.00 0.00 0.00 55.97 54.41 1n84 s LYS 78 Cb -0.11 -0.59 -0.05 0.00 -2.06 0.00 0.00 37.83 35.02 1n84 s LYS 78 CO 0.53 0.13 1.16 -1.25 0.10 0.00 0.00 175.35 176.02 1n84 s PRO 79 N -1.54 4.45 -0.03 1.78 0.04 -1.26 -1.13 135.00 137.30 1n84 s PRO 79 Ca -0.05 1.69 0.03 0.00 0.04 0.00 0.00 61.00 62.71 1n84 s PRO 79 Cb -0.09 -3.40 -0.04 0.00 0.04 0.00 0.00 34.50 31.01 1n84 s PRO 79 CO 0.01 -0.24 0.01 1.33 0.04 0.00 0.00 177.00 178.15 1n84 n VAL 80 N 4.02 0.23 -3.79 -0.36 0.24 0.26 -4.80 118.33 114.13 1n84 n VAL 80 Ca 0.09 -0.13 -0.13 0.00 -2.04 0.00 0.00 64.34 62.12 1n84 n VAL 80 Cb 0.47 -0.89 -0.14 0.00 -1.47 0.00 0.00 33.84 31.81 1n84 n VAL 80 CO 0.00 0.00 0.00 -0.69 -2.14 0.00 0.00 176.83 174.00 1n84 s VAL 81 N -2.08 -0.03 0.10 3.34 1.01 -1.19 -1.56 120.40 119.98 1n84 s VAL 81 Ca -0.02 0.12 0.07 0.00 0.00 0.00 0.00 61.98 62.16 1n84 s VAL 81 Cb 0.01 -0.16 -0.04 0.00 0.00 0.00 0.00 36.38 36.19 1n84 s VAL 81 CO 0.13 0.05 -0.11 0.00 0.00 0.00 0.00 175.10 175.17 1n84 s ALA 82 N 0.74 2.93 0.51 5.51 0.00 -0.30 0.10 121.76 131.25 1n84 s ALA 82 Ca -0.06 -1.25 -0.13 0.00 0.00 0.00 0.00 51.96 50.52 1n84 s ALA 82 Cb -0.08 -0.88 -0.06 0.00 0.00 0.00 0.00 23.12 22.10 1n84 s ALA 82 CO -0.03 0.64 0.93 -1.21 0.00 0.00 0.00 175.76 176.09 1n84 s GLU 83 N -2.20 3.81 0.05 0.00 2.02 -0.63 -1.05 118.70 120.71 1n84 s GLU 83 Ca 0.21 0.75 0.04 0.00 0.02 0.00 0.00 54.97 55.99 1n84 s GLU 83 Cb -0.11 -2.20 -0.03 0.00 0.10 0.00 0.00 34.13 31.90 1n84 s GLU 83 CO 0.13 -0.27 -0.11 -0.59 0.02 0.00 0.00 175.26 174.44 1n84 s PHE 84 N -2.69 0.98 0.36 1.61 -0.12 -0.42 -4.67 117.98 113.04 1n84 s PHE 84 Ca 0.56 -0.45 0.00 0.00 -0.05 0.00 0.00 56.93 56.99 1n84 s PHE 84 Cb -0.10 -0.57 0.00 0.00 -0.63 0.00 0.00 43.02 41.72 1n84 s PHE 84 CO 0.37 -0.00 0.01 0.66 -0.05 0.00 0.00 175.22 176.21 1n84 n TYR 85 N 1.48 0.76 0.00 3.49 4.01 0.30 -0.52 117.16 126.67 1n84 n TYR 85 Ca -0.21 -1.76 0.00 0.00 -0.16 0.00 0.00 57.90 55.77 1n84 n TYR 85 Cb 0.54 -0.24 0.00 0.00 -0.31 0.00 0.00 39.34 39.33 1n84 n TYR 85 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1n84 n GLY 86 N 0.70 1.96 3.62 2.72 0.00 -1.26 -0.95 105.19 111.97 1n84 n GLY 86 Ca -0.14 -0.22 -0.04 0.00 0.00 0.00 0.00 46.02 45.61 1n84 n GLY 86 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1n84 s SER 87 N -4.00 -0.21 0.45 1.61 1.04 -1.19 -4.97 113.70 106.42 1n84 s SER 87 Ca 0.00 -0.16 0.16 0.00 0.48 0.00 0.00 55.95 56.43 1n84 s SER 87 Cb 0.00 0.34 1.04 0.00 0.10 0.00 0.00 66.02 67.50 1n84 s SER 87 CO 0.00 -0.60 1.99 0.11 0.98 0.00 0.00 173.24 175.73 1n84 h LYS 88 N 2.00 0.00 0.14 4.02 1.57 -1.90 -2.19 116.57 120.21 1n84 h LYS 88 Ca -0.22 0.00 -0.29 0.00 -1.87 0.00 0.00 60.65 58.27 1n84 h LYS 88 Cb 1.22 0.00 0.03 0.00 0.08 0.00 0.00 32.23 33.56 1n84 h LYS 88 CO 0.27 0.18 -1.20 0.93 -0.57 0.00 0.00 179.45 179.06 1n84 h GLU 89 N 0.00 0.57 -2.87 3.15 3.07 -1.97 -3.39 114.58 113.14 1n84 h GLU 89 Ca -0.00 -0.80 -0.61 0.00 -0.50 0.00 0.00 59.36 57.45 1n84 h GLU 89 Cb 0.33 0.27 -0.41 0.00 -0.84 0.00 0.00 28.75 28.10 1n84 h GLU 89 CO 0.02 1.36 -0.66 -3.47 -1.40 0.00 0.00 179.01 174.87 1n84 n ASP 90 N -3.84 2.35 -4.70 1.42 2.03 -1.03 -5.09 116.55 107.68 1n84 n ASP 90 Ca -0.14 -3.06 -0.42 0.00 0.52 0.00 0.00 54.79 51.69 1n84 n ASP 90 Cb 0.97 -0.71 -0.03 0.00 -0.72 0.00 0.00 41.12 40.63 1n84 n ASP 90 CO 0.00 0.00 0.00 -2.16 -1.92 0.00 0.00 177.20 173.12 1n84 s PRO 91 N -1.24 4.28 -0.23 -0.67 0.04 -0.85 -3.19 135.00 133.14 1n84 s PRO 91 Ca 0.28 2.10 -0.05 0.00 0.04 0.00 0.00 61.00 63.36 1n84 s PRO 91 Cb -0.01 -3.43 -0.02 0.00 0.04 0.00 0.00 34.50 31.09 1n84 s PRO 91 CO -0.17 -0.55 0.00 -0.65 0.04 0.00 0.00 177.00 175.68 1n84 s GLN 92 N 1.86 3.50 -0.59 4.56 -0.21 -0.13 -4.91 119.66 123.74 1n84 s GLN 92 Ca 0.66 -0.56 -0.02 0.00 0.02 0.00 0.00 55.36 55.46 1n84 s GLN 92 Cb -0.36 -3.13 0.40 0.00 1.00 0.00 0.00 33.01 30.92 1n84 s GLN 92 CO 0.29 -0.18 2.03 0.25 -2.12 0.00 0.00 175.29 175.57 1n84 n THR 93 N 4.81 3.44 -3.73 -0.19 -2.24 -1.26 -0.54 114.28 114.57 1n84 n THR 93 Ca -0.17 -2.63 -0.05 0.00 -2.27 0.00 0.00 64.05 58.92 1n84 n THR 93 Cb 0.51 -1.20 -0.02 0.00 -2.10 0.00 0.00 70.33 67.53 1n84 n THR 93 CO 0.00 0.00 0.00 0.72 -0.57 0.00 0.00 175.07 175.22 1n84 s PHE 94 N -3.36 -0.19 0.28 4.78 -0.71 -1.26 -2.52 117.98 115.00 1n84 s PHE 94 Ca 0.57 -0.12 -0.07 0.00 -1.04 0.00 0.00 56.93 56.27 1n84 s PHE 94 Cb 0.45 0.64 -0.01 0.00 -1.21 0.00 0.00 43.02 42.89 1n84 s PHE 94 CO -0.01 -0.88 0.43 1.52 -1.34 0.00 0.00 175.22 174.94 1n84 s TYR 95 N -3.42 0.76 -0.15 3.49 1.13 -0.73 -4.79 117.35 113.64 1n84 s TYR 95 Ca 0.11 -1.05 -0.07 0.00 -1.41 0.00 0.00 57.07 54.64 1n84 s TYR 95 Cb -0.02 -0.02 -0.04 0.00 -1.10 0.00 0.00 41.96 40.78 1n84 s TYR 95 CO 0.01 -1.01 0.09 0.71 -2.51 0.00 0.00 175.55 172.85 1n84 s TYR 96 N -3.62 3.39 -0.12 -3.49 2.02 -1.26 -1.54 117.35 112.72 1n84 s TYR 96 Ca 0.28 0.30 -0.18 0.00 -0.37 0.00 0.00 57.07 57.10 1n84 s TYR 96 Cb 0.01 -2.00 -0.04 0.00 -0.40 0.00 0.00 41.96 39.52 1n84 s TYR 96 CO 0.14 0.43 0.47 0.00 -1.57 0.00 0.00 175.55 175.02 1n84 s ALA 97 N -0.30 3.48 0.26 3.71 0.00 -0.11 -1.91 121.76 126.88 1n84 s ALA 97 Ca 0.10 -0.21 0.03 0.00 0.00 0.00 0.00 51.96 51.87 1n84 s ALA 97 Cb -0.12 -2.63 -0.05 0.00 0.00 0.00 0.00 23.12 20.31 1n84 s ALA 97 CO 0.01 -0.00 0.05 0.14 0.00 0.00 0.00 175.76 175.96 1n84 s VAL 98 N 0.63 0.86 -0.26 0.00 -7.23 -0.25 -0.25 120.40 113.90 1n84 s VAL 98 Ca 0.25 -2.01 0.02 0.00 -1.81 0.00 0.00 61.98 58.44 1n84 s VAL 98 Cb -0.15 -2.53 0.07 0.00 0.56 0.00 0.00 36.38 34.33 1n84 s VAL 98 CO 0.10 -0.15 -0.07 0.00 -0.31 0.00 0.00 175.10 174.66 1n84 s ALA 99 N -3.54 2.42 -0.11 1.32 0.00 -1.26 -2.51 121.76 118.08 1n84 s ALA 99 Ca 0.33 -1.74 -0.13 0.00 0.00 0.00 0.00 51.96 50.41 1n84 s ALA 99 Cb 0.07 -1.59 -0.05 0.00 0.00 0.00 0.00 23.12 21.55 1n84 s ALA 99 CO 0.11 -1.26 0.31 0.08 0.00 0.00 0.00 175.76 175.00 1n84 s VAL 100 N 1.17 5.26 0.19 0.00 1.01 -0.50 -1.27 120.40 126.26 1n84 s VAL 100 Ca -0.05 0.60 -0.00 0.00 0.00 0.00 0.00 61.98 62.52 1n84 s VAL 100 Cb -0.20 -3.63 -0.04 0.00 0.00 0.00 0.00 36.38 32.51 1n84 s VAL 100 CO -0.06 0.47 0.09 0.68 0.00 0.00 0.00 175.10 176.27 1n84 s VAL 101 N -0.12 0.25 0.27 2.92 -7.23 -0.75 -1.13 120.40 114.62 1n84 s VAL 101 Ca 0.19 -1.98 -0.19 0.00 -1.81 0.00 0.00 61.98 58.19 1n84 s VAL 101 Cb -0.14 -2.38 -0.09 0.00 0.56 0.00 0.00 36.38 34.34 1n84 s VAL 101 CO 0.07 -0.17 0.76 -0.54 -0.31 0.00 0.00 175.10 174.90 1n84 s LYS 102 N -4.07 4.20 0.29 4.82 1.02 -1.26 -0.30 119.74 124.43 1n84 s LYS 102 Ca 0.33 0.86 -0.30 0.00 0.02 0.00 0.00 55.97 56.88 1n84 s LYS 102 Cb 0.07 -2.70 -0.13 0.00 -0.52 0.00 0.00 37.83 34.56 1n84 s LYS 102 CO 0.09 0.29 1.38 1.17 -0.92 0.00 0.00 175.35 177.36 1n84 n LYS 103 N 0.30 2.15 -2.91 1.68 4.81 -0.09 -2.42 118.16 121.68 1n84 n LYS 103 Ca 0.00 0.76 -0.21 0.00 -0.87 0.00 0.00 58.31 57.99 1n84 n LYS 103 Cb 0.52 -2.40 0.02 0.00 0.02 0.00 0.00 35.03 33.18 1n84 n LYS 103 CO 0.00 0.00 0.00 -0.25 1.17 0.00 0.00 177.40 178.32 1n84 n ASP 104 N 1.61 -5.39 0.00 3.14 8.00 -1.26 -4.84 116.55 117.81 1n84 n ASP 104 Ca 0.08 -0.21 0.10 0.00 0.71 0.00 0.00 54.79 55.48 1n84 n ASP 104 Cb 0.34 -4.42 0.45 0.00 -0.02 0.00 0.00 41.12 37.48 1n84 n ASP 104 CO 0.00 0.00 0.00 -1.54 -0.39 0.00 0.00 177.20 175.27 1n84 n SER 105 N -2.31 0.00 -1.38 -2.24 3.41 -1.02 -4.92 113.62 105.16 1n84 n SER 105 Ca -0.12 0.34 -0.07 0.00 -0.26 0.00 0.00 58.87 58.76 1n84 n SER 105 Cb 0.62 -0.43 0.02 0.00 -0.26 0.00 0.00 64.21 64.16 1n84 n SER 105 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1n84 n GLY 106 N 0.53 0.44 3.45 5.00 0.00 -1.26 -5.07 105.19 108.28 1n84 n GLY 106 Ca 0.06 -0.41 -0.15 0.00 0.00 0.00 0.00 46.02 45.51 1n84 n GLY 106 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1n84 s PHE 107 N -3.00 -0.55 0.54 1.61 -0.71 -1.26 -5.16 117.98 109.44 1n84 s PHE 107 Ca 0.16 0.75 0.04 0.00 -1.04 0.00 0.00 56.93 56.84 1n84 s PHE 107 Cb -0.07 0.41 0.02 0.00 -1.21 0.00 0.00 43.02 42.18 1n84 s PHE 107 CO 0.20 -0.66 0.27 -0.65 -1.34 0.00 0.00 175.22 173.04 1n84 s GLN 108 N -2.08 2.24 0.36 1.99 -1.52 -1.26 -5.01 119.66 114.38 1n84 s GLN 108 Ca -0.07 -2.16 0.10 0.00 -1.95 0.00 0.00 55.36 51.28 1n84 s GLN 108 Cb -0.01 -1.91 0.85 0.00 -0.22 0.00 0.00 33.01 31.72 1n84 s GLN 108 CO 0.02 -0.55 1.87 1.98 -0.25 0.00 0.00 175.29 178.36 1n84 h MET 109 N 0.93 0.64 -0.60 2.91 4.05 -1.89 -0.13 114.93 120.83 1n84 h MET 109 Ca -0.39 -0.04 0.00 0.00 -0.28 0.00 0.00 59.70 58.99 1n84 h MET 109 Cb 1.31 -0.14 0.00 0.00 -0.80 0.00 0.00 31.60 31.97 1n84 h MET 109 CO 0.63 0.42 0.00 0.27 0.23 0.00 0.00 176.91 178.46 1n84 n ASN 110 N -4.56 1.78 -1.91 1.39 6.94 -1.26 -3.62 115.26 114.02 1n84 n ASN 110 Ca 0.17 -2.15 -0.02 0.00 -0.02 0.00 0.00 54.58 52.57 1n84 n ASN 110 Cb 0.49 -0.38 0.06 0.00 -2.36 0.00 0.00 39.78 37.59 1n84 n ASN 110 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1n84 n GLN 111 N 0.13 1.50 0.13 -3.83 6.02 -0.06 -4.84 117.38 116.44 1n84 n GLN 111 Ca 0.07 -3.12 0.12 0.00 -0.01 0.00 0.00 57.00 54.06 1n84 n GLN 111 Cb 0.37 -1.23 0.21 0.00 1.02 0.00 0.00 30.24 30.61 1n84 n GLN 111 CO 0.00 0.00 0.00 -0.07 -1.01 0.00 0.00 177.06 175.98 1n84 h LEU 112 N 1.76 0.00 -9.56 1.08 3.38 -1.66 -3.44 115.31 106.88 1n84 h LEU 112 Ca -0.05 -0.05 -0.56 0.00 0.09 0.00 0.00 57.88 57.31 1n84 h LEU 112 Cb 1.47 0.00 0.06 0.00 0.09 0.00 0.00 40.66 42.28 1n84 h LEU 112 CO 0.23 0.02 0.92 -1.14 0.09 0.00 0.00 178.44 178.56 1n84 n ARG 113 N -2.57 2.45 -0.47 1.13 0.63 -1.26 -1.25 116.66 115.32 1n84 n ARG 113 Ca 0.04 0.88 0.00 0.00 -0.92 0.00 0.00 57.85 57.85 1n84 n ARG 113 Cb 0.49 -2.70 0.00 0.00 0.45 0.00 0.00 32.46 30.70 1n84 n ARG 113 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1n84 n GLY 114 N 3.73 1.22 3.93 5.14 0.00 0.26 -4.98 105.19 114.50 1n84 n GLY 114 Ca 0.17 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.94 1n84 n GLY 114 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1n84 s LYS 115 N -0.31 2.66 -0.18 1.61 -0.14 -0.38 -3.86 119.74 119.13 1n84 s LYS 115 Ca 0.00 -0.25 -0.09 0.00 -1.36 0.00 0.00 55.97 54.27 1n84 s LYS 115 Cb 0.00 -2.30 -0.05 0.00 -1.68 0.00 0.00 37.83 33.80 1n84 s LYS 115 CO 0.00 -0.82 0.11 0.15 -0.76 0.00 0.00 175.35 174.03 1n84 s LYS 116 N -4.99 4.02 0.14 1.68 1.02 -1.26 -1.12 119.74 119.23 1n84 s LYS 116 Ca 0.56 -0.24 0.09 0.00 0.02 0.00 0.00 55.97 56.40 1n84 s LYS 116 Cb -0.10 -3.33 -0.04 0.00 -0.52 0.00 0.00 37.83 33.83 1n84 s LYS 116 CO 0.43 0.37 -0.13 -1.54 -0.92 0.00 0.00 175.35 173.56 1n84 s SER 117 N 0.15 4.11 -0.15 2.83 1.04 -0.87 0.50 113.70 121.30 1n84 s SER 117 Ca 0.08 -0.55 0.01 0.00 0.48 0.00 0.00 55.95 55.97 1n84 s SER 117 Cb -0.11 -0.66 0.02 0.00 0.10 0.00 0.00 66.02 65.37 1n84 s SER 117 CO -0.01 0.15 -0.16 0.00 0.98 0.00 0.00 173.24 174.20 1n84 s HIS 119 N 1.37 2.59 0.17 0.00 3.76 -0.09 -2.00 115.29 121.09 1n84 s HIS 119 Ca 0.03 -0.23 -0.10 0.00 -0.15 0.00 0.00 55.06 54.61 1n84 s HIS 119 Cb -0.13 -1.36 0.04 0.00 1.11 0.00 0.00 32.58 32.24 1n84 s HIS 119 CO -0.10 0.40 1.62 1.79 -0.85 0.00 0.00 174.74 177.60 1n84 h THR 120 N 3.43 1.27 0.00 1.30 1.35 -1.74 -3.39 112.91 115.12 1n84 h THR 120 Ca -0.49 -1.17 0.00 0.00 -0.55 0.00 0.00 66.41 64.20 1n84 h THR 120 Cb 1.17 0.89 0.00 0.00 -1.73 0.00 0.00 68.15 68.48 1n84 h THR 120 CO 0.48 0.42 0.00 0.61 -0.25 0.00 0.00 175.52 176.78 1n84 n GLY 121 N -0.36 2.17 3.70 5.82 0.00 -1.26 -1.51 105.19 113.74 1n84 n GLY 121 Ca 0.02 -0.41 -0.44 0.00 0.00 0.00 0.00 46.02 45.19 1n84 n GLY 121 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1n84 n LEU 122 N 0.00 3.59 0.00 0.99 7.94 -0.27 -2.50 117.00 126.74 1n84 n LEU 122 Ca 0.00 1.13 0.00 0.00 -1.11 0.00 0.00 56.01 56.03 1n84 n LEU 122 Cb 0.00 -1.49 0.00 0.00 0.53 0.00 0.00 43.42 42.46 1n84 n LEU 122 CO 0.00 -0.21 0.00 0.61 -1.11 0.00 0.00 177.39 176.68 1n84 n GLY 123 N 2.36 1.20 3.84 -3.96 0.00 -1.26 -5.00 105.19 102.37 1n84 n GLY 123 Ca 0.11 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.80 1n84 n GLY 123 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1n84 s ARG 124 N -0.09 4.07 0.00 1.61 0.52 -1.04 -3.61 118.95 120.42 1n84 s ARG 124 Ca 0.00 0.79 0.00 0.00 -0.52 0.00 0.00 55.73 56.00 1n84 s ARG 124 Cb 0.00 -2.39 0.00 0.00 0.52 0.00 0.00 34.95 33.08 1n84 s ARG 124 CO 0.00 0.12 0.88 0.43 0.02 0.00 0.00 175.30 176.75 1n84 n SER 125 N -0.39 0.00 -0.08 0.23 7.64 -1.26 -1.56 113.62 118.20 1n84 n SER 125 Ca 0.04 0.88 -0.11 0.00 1.01 0.00 0.00 58.87 60.69 1n84 n SER 125 Cb 0.53 -0.38 0.02 0.00 -1.01 0.00 0.00 64.21 63.38 1n84 n SER 125 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1n84 h ALA 126 N -1.62 0.68 0.00 -0.43 0.00 -1.92 -1.99 119.26 113.98 1n84 h ALA 126 Ca 0.00 -0.45 0.00 0.00 0.00 0.00 0.00 54.91 54.46 1n84 h ALA 126 Cb 0.00 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 17.67 1n84 h ALA 126 CO 0.00 0.67 -0.09 0.41 0.00 0.00 0.00 179.25 180.24 1n84 n GLY 127 N 0.07 -1.51 2.01 0.00 0.00 -1.24 -4.39 105.19 100.12 1n84 n GLY 127 Ca -0.02 -0.12 0.00 0.00 0.00 0.00 0.00 46.02 45.88 1n84 n GLY 127 CO 0.00 0.00 0.00 1.87 0.00 0.00 0.00 173.32 175.19 1n84 n TRP 128 N -1.70 -1.26 -0.15 1.61 -0.00 -0.71 -4.26 117.44 110.98 1n84 n TRP 128 Ca 0.06 0.22 -0.03 0.00 -0.00 0.00 0.00 57.50 57.76 1n84 n TRP 128 Cb 0.36 0.71 0.04 0.00 -0.00 0.00 0.00 31.31 32.43 1n84 n TRP 128 CO 0.00 0.00 0.00 -0.91 -0.00 0.00 0.00 177.69 176.78 1n84 h ASN 129 N 0.00 -0.29 0.65 5.87 2.35 -1.24 0.90 115.58 123.82 1n84 h ASN 129 Ca 0.00 0.12 -0.03 0.00 -0.55 0.00 0.00 56.30 55.84 1n84 h ASN 129 Cb 0.00 0.24 0.01 0.00 0.05 0.00 0.00 38.32 38.61 1n84 h ASN 129 CO 0.00 -0.10 -0.31 0.40 -1.65 0.00 0.00 177.43 175.77 1n84 h ILE 130 N 0.07 0.00 -0.17 2.81 1.08 -1.61 0.30 117.51 119.99 1n84 h ILE 130 Ca 0.24 -0.31 0.05 0.00 -0.39 0.00 0.00 64.86 64.44 1n84 h ILE 130 Cb 0.36 0.00 -0.05 0.00 -3.07 0.00 0.00 36.82 34.06 1n84 h ILE 130 CO -0.43 0.00 -0.15 1.55 -0.69 0.00 0.00 178.15 178.43 1n84 h PRO 131 N -1.18 -0.16 -0.10 2.37 0.13 -1.75 -1.27 132.00 130.04 1n84 h PRO 131 Ca -0.09 0.01 -0.07 0.00 -0.87 0.00 0.00 66.00 64.98 1n84 h PRO 131 Cb 0.67 0.04 -0.01 0.00 0.13 0.00 0.00 31.00 31.82 1n84 h PRO 131 CO 0.15 -0.11 -0.27 0.82 -0.23 0.00 0.00 178.00 178.36 1n84 h ILE 132 N -0.16 1.24 -0.25 -3.56 1.08 -0.93 -2.21 117.51 112.72 1n84 h ILE 132 Ca 0.11 -1.11 -0.07 0.00 -0.39 0.00 0.00 64.86 63.39 1n84 h ILE 132 Cb 0.32 1.46 -0.01 0.00 -3.07 0.00 0.00 36.82 35.51 1n84 h ILE 132 CO -0.27 0.33 -0.16 1.23 -0.69 0.00 0.00 178.15 178.59 1n84 h GLY 133 N 0.96 0.46 2.00 5.37 0.00 -0.25 -0.71 103.07 110.90 1n84 h GLY 133 Ca 0.03 -0.33 -0.20 0.00 0.00 0.00 0.00 47.33 46.83 1n84 h GLY 133 CO 0.04 0.30 -0.93 1.41 0.00 0.00 0.00 176.54 177.36 1n84 h LEU 134 N 0.40 0.00 0.00 3.11 3.38 -0.80 -3.30 115.31 118.10 1n84 h LEU 134 Ca 0.07 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.04 1n84 h LEU 134 Cb 0.52 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.27 1n84 h LEU 134 CO 0.03 0.93 -0.68 0.18 0.09 0.00 0.00 178.44 178.99 1n84 n LEU 135 N -3.36 0.61 -0.18 1.67 4.77 -0.87 -4.64 117.00 114.99 1n84 n LEU 135 Ca 0.00 0.06 0.03 0.00 -0.03 0.00 0.00 56.01 56.07 1n84 n LEU 135 Cb 0.90 -0.18 0.06 0.00 -2.33 0.00 0.00 43.42 41.87 1n84 n LEU 135 CO 0.46 0.05 0.32 0.00 -1.33 0.00 0.00 177.39 176.89 1n84 n TYR 136 N -1.82 0.16 1.55 -1.77 9.36 -0.29 0.19 117.16 124.54 1n84 n TYR 136 Ca 0.04 0.59 0.15 0.00 3.32 0.00 0.00 57.90 62.00 1n84 n TYR 136 Cb 0.40 -0.77 0.73 0.00 -0.63 0.00 0.00 39.34 39.06 1n84 n TYR 136 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 1n84 h ASP 138 N 0.38 0.00 -4.02 0.00 5.19 0.17 -3.47 116.42 114.66 1n84 h ASP 138 Ca 0.00 0.00 -0.53 0.00 -0.62 0.00 0.00 57.03 55.88 1n84 h ASP 138 Cb 0.26 0.00 0.10 0.00 0.18 0.00 0.00 39.33 39.88 1n84 h ASP 138 CO 0.00 0.56 0.55 -0.76 -3.12 0.00 0.00 179.24 176.47 1n84 s LEU 139 N -5.82 3.93 0.79 1.55 1.43 -1.03 -4.99 118.68 114.54 1n84 s LEU 139 Ca -0.02 2.55 -0.11 0.00 -1.03 0.00 0.00 54.13 55.52 1n84 s LEU 139 Cb 0.09 -4.25 0.06 0.00 0.03 0.00 0.00 46.19 42.12 1n84 s LEU 139 CO 0.81 -1.26 1.09 -2.16 0.23 0.00 0.00 176.35 175.06 1n84 s PRO 140 N -2.80 2.16 0.12 1.29 0.04 -1.26 -4.94 135.00 129.60 1n84 s PRO 140 Ca 0.68 1.11 -0.00 0.00 0.04 0.00 0.00 61.00 62.83 1n84 s PRO 140 Cb -0.35 -1.89 -0.04 0.00 0.04 0.00 0.00 34.50 32.26 1n84 s PRO 140 CO 0.42 -1.70 0.28 -1.21 0.04 0.00 0.00 177.00 174.83 1n84 s GLU 141 N -4.92 3.48 0.56 4.56 2.02 -1.26 -3.91 118.70 119.24 1n84 s GLU 141 Ca 0.61 -0.41 -0.18 0.00 0.02 0.00 0.00 54.97 55.01 1n84 s GLU 141 Cb -0.17 -2.96 -0.05 0.00 0.10 0.00 0.00 34.13 31.05 1n84 s GLU 141 CO 0.56 0.54 1.09 -1.25 0.02 0.00 0.00 175.26 176.22 1n84 s PRO 142 N -2.83 3.33 -0.06 0.39 0.04 -1.26 -5.06 135.00 129.54 1n84 s PRO 142 Ca 0.36 1.43 0.13 0.00 0.04 0.00 0.00 61.00 62.96 1n84 s PRO 142 Cb -0.12 -2.02 0.48 0.00 0.04 0.00 0.00 34.50 32.88 1n84 s PRO 142 CO 0.28 -0.83 1.35 0.54 0.04 0.00 0.00 177.00 178.37 1n84 n ARG 143 N -1.60 2.70 -4.22 4.56 1.74 -1.25 -4.48 116.66 114.10 1n84 n ARG 143 Ca 0.10 -1.88 -0.23 0.00 -0.77 0.00 0.00 57.85 55.07 1n84 n ARG 143 Cb 0.52 -1.63 -0.17 0.00 -1.02 0.00 0.00 32.46 30.17 1n84 n ARG 143 CO 0.00 0.00 0.00 0.21 -1.52 0.00 0.00 177.63 176.32 1n84 s LYS 144 N -1.67 1.18 0.66 5.56 2.47 -1.26 -2.91 119.74 123.77 1n84 s LYS 144 Ca 0.34 -0.20 -0.14 0.00 -1.56 0.00 0.00 55.97 54.41 1n84 s LYS 144 Cb 0.21 -1.14 -0.00 0.00 -1.46 0.00 0.00 37.83 35.44 1n84 s LYS 144 CO 0.18 -0.09 1.08 -1.25 0.16 0.00 0.00 175.35 175.42 1n84 s PRO 145 N 1.05 2.93 0.19 4.03 0.04 -1.26 -4.94 135.00 137.04 1n84 s PRO 145 Ca -0.08 1.19 -0.13 0.00 0.04 0.00 0.00 61.00 62.02 1n84 s PRO 145 Cb -0.14 -1.98 0.19 0.00 0.04 0.00 0.00 34.50 32.61 1n84 s PRO 145 CO -0.00 -1.12 1.73 1.25 0.04 0.00 0.00 177.00 178.90 1n84 h LEU 146 N -0.17 0.08 -0.85 -3.56 5.85 -1.91 -2.54 115.31 112.21 1n84 h LEU 146 Ca -0.46 0.08 0.11 0.00 0.84 0.00 0.00 57.88 58.45 1n84 h LEU 146 Cb 1.23 0.09 -0.08 0.00 0.37 0.00 0.00 40.66 42.27 1n84 h LEU 146 CO 0.55 0.07 0.48 -0.33 -0.34 0.00 0.00 178.44 178.87 1n84 h GLU 147 N 0.29 0.75 0.21 1.25 3.07 -1.98 -1.45 114.58 116.72 1n84 h GLU 147 Ca 0.25 -0.05 0.01 0.00 -0.50 0.00 0.00 59.36 59.07 1n84 h GLU 147 Cb 0.31 -0.17 -0.03 0.00 -0.84 0.00 0.00 28.75 28.02 1n84 h GLU 147 CO -0.29 0.50 -0.28 -0.22 -1.40 0.00 0.00 179.01 177.31 1n84 h LYS 148 N 0.78 -0.53 0.00 2.33 3.11 -1.83 -0.25 116.57 120.17 1n84 h LYS 148 Ca 0.42 0.04 -0.06 0.00 -2.81 0.00 0.00 60.65 58.24 1n84 h LYS 148 Cb 0.44 0.12 -0.01 0.00 -1.00 0.00 0.00 32.23 31.78 1n84 h LYS 148 CO -0.27 -0.36 -0.30 0.00 -2.81 0.00 0.00 179.45 175.72 1n84 h ALA 149 N 0.09 1.44 -0.31 5.00 0.00 -1.31 -2.48 119.26 121.69 1n84 h ALA 149 Ca 0.01 -0.27 -0.13 0.00 0.00 0.00 0.00 54.91 54.52 1n84 h ALA 149 Cb 0.54 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 18.28 1n84 h ALA 149 CO -0.11 0.37 -0.32 0.28 0.00 0.00 0.00 179.25 179.47 1n84 h VAL 150 N 0.00 1.29 0.00 0.00 2.07 -0.89 -2.01 116.25 116.72 1n84 h VAL 150 Ca -0.00 -1.49 -0.02 0.00 0.82 0.00 0.00 66.70 66.00 1n84 h VAL 150 Cb 0.55 1.54 -0.00 0.00 -1.52 0.00 0.00 31.29 31.85 1n84 h VAL 150 CO 0.04 0.48 -0.11 0.00 0.02 0.00 0.00 177.57 178.00 1n84 h ALA 151 N 0.72 1.42 0.00 1.67 0.00 -0.71 -2.30 119.26 120.06 1n84 h ALA 151 Ca 0.05 -0.10 -0.10 0.00 0.00 0.00 0.00 54.91 54.76 1n84 h ALA 151 Cb 0.90 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.65 1n84 h ALA 151 CO 0.08 0.14 -0.97 -0.91 0.00 0.00 0.00 179.25 177.59 1n84 h ASN 152 N 0.00 0.00 0.16 0.00 2.35 -1.19 -3.38 115.58 113.53 1n84 h ASN 152 Ca -0.00 0.00 -0.01 0.00 -0.55 0.00 0.00 56.30 55.74 1n84 h ASN 152 Cb 0.27 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.64 1n84 h ASN 152 CO 0.01 0.38 -0.08 0.15 -1.65 0.00 0.00 177.43 176.24 1n84 h PHE 153 N 0.00 -0.20 -3.87 1.19 3.57 -0.81 -3.46 116.94 113.36 1n84 h PHE 153 Ca -0.07 -0.00 -0.50 0.00 3.53 0.00 0.00 57.97 60.93 1n84 h PHE 153 Cb 1.35 0.07 0.04 0.00 2.79 0.00 0.00 35.95 40.20 1n84 h PHE 153 CO 0.00 0.22 0.22 -0.06 -2.23 0.00 0.00 178.31 176.47 1n84 s PHE 154 N -3.32 3.57 -0.37 0.41 0.08 -1.04 -0.57 117.98 116.74 1n84 s PHE 154 Ca -0.12 1.03 0.09 0.00 0.12 0.00 0.00 56.93 58.04 1n84 s PHE 154 Cb 0.00 -2.48 0.65 0.00 -0.57 0.00 0.00 43.02 40.63 1n84 s PHE 154 CO 0.45 -0.39 1.65 -1.13 -0.10 0.00 0.00 175.22 175.70 1n84 n SER 155 N -2.26 4.52 0.00 1.36 3.41 -0.28 -4.74 113.62 115.63 1n84 n SER 155 Ca 0.03 -3.02 0.00 0.00 -0.26 0.00 0.00 58.87 55.62 1n84 n SER 155 Cb 0.55 -0.71 0.00 0.00 -0.26 0.00 0.00 64.21 63.79 1n84 n SER 155 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1n84 n GLY 156 N -0.02 4.96 2.62 5.00 0.00 -1.26 -4.89 105.19 111.60 1n84 n GLY 156 Ca 0.34 -0.94 -0.07 0.00 0.00 0.00 0.00 46.02 45.36 1n84 n GLY 156 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1n84 n SER 157 N 0.00 -1.53 -3.82 1.61 3.41 -0.60 -2.06 113.62 110.64 1n84 n SER 157 Ca 0.00 -2.16 -0.29 0.00 -0.26 0.00 0.00 58.87 56.15 1n84 n SER 157 Cb 0.00 2.57 -0.16 0.00 -0.26 0.00 0.00 64.21 66.37 1n84 n SER 157 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1n84 s ALA 159 N 1.57 3.77 0.25 0.00 0.00 0.27 -0.91 121.76 126.70 1n84 s ALA 159 Ca 0.02 -3.80 -0.29 0.00 0.00 0.00 0.00 51.96 47.89 1n84 s ALA 159 Cb -0.18 -2.16 -0.15 0.00 0.00 0.00 0.00 23.12 20.63 1n84 s ALA 159 CO -0.13 -2.09 1.03 -2.30 0.00 0.00 0.00 175.76 172.26 1n84 n PRO 160 N 2.03 1.23 -0.36 0.00 -0.02 -1.26 -1.75 135.00 134.87 1n84 n PRO 160 Ca 0.19 0.43 0.00 0.00 -2.02 0.00 0.00 63.50 62.11 1n84 n PRO 160 Cb 0.35 -1.82 0.00 0.00 -0.02 0.00 0.00 33.50 32.01 1n84 n PRO 160 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1n84 s ALA 162 N -3.06 3.13 -0.71 0.00 0.00 -0.72 -4.91 121.76 115.50 1n84 s ALA 162 Ca 0.00 -0.07 -0.26 0.00 0.00 0.00 0.00 51.96 51.63 1n84 s ALA 162 Cb 0.00 -3.03 0.04 0.00 0.00 0.00 0.00 23.12 20.13 1n84 s ALA 162 CO 0.00 -0.53 1.18 0.34 0.00 0.00 0.00 175.76 176.75 1n84 s ASP 163 N -3.89 6.18 0.52 0.00 2.15 -1.26 -4.79 116.67 115.58 1n84 s ASP 163 Ca 0.55 -0.58 0.35 0.00 0.43 0.00 0.00 52.55 53.30 1n84 s ASP 163 Cb -0.11 -2.52 1.67 0.00 -0.30 0.00 0.00 42.92 41.66 1n84 s ASP 163 CO 0.47 -1.71 2.04 1.23 -0.17 0.00 0.00 175.17 177.04 1n84 h GLY 164 N 12.49 0.00 0.60 2.66 0.00 -1.85 -0.66 103.07 116.32 1n84 h GLY 164 Ca -0.28 0.00 -0.02 0.00 0.00 0.00 0.00 47.33 47.03 1n84 h GLY 164 CO 1.25 0.00 -0.04 -0.84 0.00 0.00 0.00 176.54 176.90 1n84 h THR 165 N 0.00 1.36 0.00 4.70 2.02 -1.97 -2.72 112.91 116.31 1n84 h THR 165 Ca 0.00 -1.16 -0.03 0.00 0.77 0.00 0.00 66.41 65.99 1n84 h THR 165 Cb 0.24 2.03 -0.01 0.00 -1.74 0.00 0.00 68.15 68.68 1n84 h THR 165 CO 0.00 0.32 -0.86 0.44 0.37 0.00 0.00 175.52 175.78 1n84 h ASP 166 N -0.31 0.00 -2.07 4.18 3.32 -1.96 -3.39 116.42 116.19 1n84 h ASP 166 Ca 0.01 0.00 -0.56 0.00 0.02 0.00 0.00 57.03 56.50 1n84 h ASP 166 Cb 0.53 0.00 -0.40 0.00 0.22 0.00 0.00 39.33 39.68 1n84 h ASP 166 CO 0.01 0.12 -0.96 0.49 -1.72 0.00 0.00 179.24 177.18 1n84 n PHE 167 N -2.81 1.07 -0.17 4.55 3.72 -0.27 -4.96 117.46 118.58 1n84 n PHE 167 Ca -0.01 -3.78 0.14 0.00 -0.05 0.00 0.00 57.45 53.75 1n84 n PHE 167 Cb 0.60 -0.42 0.48 0.00 -0.94 0.00 0.00 39.48 39.20 1n84 n PHE 167 CO 0.00 0.00 0.00 -1.00 -0.05 0.00 0.00 176.76 175.71 1n84 h PRO 168 N 3.82 0.44 0.00 -1.08 0.13 -1.70 -1.35 132.00 132.27 1n84 h PRO 168 Ca 0.11 -0.03 -0.02 0.00 -0.87 0.00 0.00 66.00 65.20 1n84 h PRO 168 Cb 0.81 -0.10 -0.00 0.00 0.13 0.00 0.00 31.00 31.84 1n84 h PRO 168 CO 0.59 0.29 -0.09 1.96 -0.23 0.00 0.00 178.00 180.52 1n84 h GLN 169 N 0.46 0.00 0.00 0.86 7.50 -1.92 -2.12 115.11 119.89 1n84 h GLN 169 Ca 0.37 0.00 0.00 0.00 0.50 0.00 0.00 58.65 59.52 1n84 h GLN 169 Cb 0.79 0.00 0.00 0.00 0.05 0.00 0.00 27.48 28.32 1n84 h GLN 169 CO -0.13 0.09 0.00 1.28 -1.50 0.00 0.00 178.83 178.58 1n84 n LEU 170 N -3.60 0.00 -0.26 1.46 4.77 -0.51 -1.56 117.00 117.31 1n84 n LEU 170 Ca -0.02 0.26 0.05 0.00 -0.03 0.00 0.00 56.01 56.28 1n84 n LEU 170 Cb 0.22 -0.26 0.07 0.00 -2.33 0.00 0.00 43.42 41.12 1n84 n LEU 170 CO 0.29 -0.01 0.42 0.00 -1.33 0.00 0.00 177.39 176.76 1n84 h GLN 172 N 0.00 1.00 0.00 0.00 4.15 -1.22 -0.41 115.11 118.63 1n84 h GLN 172 Ca 0.00 -0.24 0.00 0.00 0.77 0.00 0.00 58.65 59.18 1n84 h GLN 172 Cb 1.17 -0.13 0.00 0.00 0.21 0.00 0.00 27.48 28.73 1n84 h GLN 172 CO 0.00 0.91 -0.23 1.28 -1.93 0.00 0.00 178.83 178.86 1n84 n LEU 173 N -4.23 0.28 -2.89 -2.39 4.32 -0.81 -4.45 117.00 106.83 1n84 n LEU 173 Ca 0.04 0.29 -0.10 0.00 -0.02 0.00 0.00 56.01 56.22 1n84 n LEU 173 Cb 0.27 -0.37 -0.00 0.00 -1.62 0.00 0.00 43.42 41.69 1n84 n LEU 173 CO 0.42 0.04 0.04 0.00 -1.22 0.00 0.00 177.39 176.66 1n84 n PRO 175 N 2.47 0.00 0.00 0.00 -0.02 -0.21 -0.76 135.00 136.48 1n84 n PRO 175 Ca 0.18 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.66 1n84 n PRO 175 Cb 0.56 -1.41 0.00 0.00 -0.02 0.00 0.00 33.50 32.63 1n84 n PRO 175 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1n84 n GLY 176 N 1.83 3.05 3.74 -1.23 0.00 -1.26 -4.52 105.19 106.80 1n84 n GLY 176 Ca 0.21 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.99 1n84 n GLY 176 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1n84 n GLY 178 N -1.61 0.00 2.56 0.00 0.00 -1.26 -0.92 105.19 103.96 1n84 n GLY 178 Ca -0.18 0.44 -0.36 0.00 0.00 0.00 0.00 46.02 45.92 1n84 n GLY 178 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1n84 n SER 180 N -0.72 -1.81 0.00 0.00 3.41 -1.26 -4.47 113.62 108.76 1n84 n SER 180 Ca 0.57 -2.10 0.09 0.00 -0.26 0.00 0.00 58.87 57.16 1n84 n SER 180 Cb 0.50 2.99 0.53 0.00 -0.26 0.00 0.00 64.21 67.97 1n84 n SER 180 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 1n84 n THR 181 N -0.59 0.08 0.26 6.66 -2.24 -1.26 -2.05 114.28 115.15 1n84 n THR 181 Ca -0.05 0.02 0.16 0.00 -2.27 0.00 0.00 64.05 61.91 1n84 n THR 181 Cb 0.54 -0.73 0.59 0.00 -2.10 0.00 0.00 70.33 68.63 1n84 n THR 181 CO 0.00 0.00 0.00 -0.07 -0.57 0.00 0.00 175.07 174.43 1n84 h LEU 182 N 0.00 0.00 -8.58 3.22 3.38 -1.94 -3.38 115.31 108.01 1n84 h LEU 182 Ca 0.00 0.00 -0.67 0.00 0.09 0.00 0.00 57.88 57.30 1n84 h LEU 182 Cb 0.03 0.00 -0.16 0.00 0.09 0.00 0.00 40.66 40.61 1n84 h LEU 182 CO 0.00 0.02 0.03 0.21 0.09 0.00 0.00 178.44 178.79 1n84 s ASN 183 N -5.81 6.29 0.39 -0.43 3.84 -0.87 -4.94 114.94 113.40 1n84 s ASN 183 Ca 0.02 -0.44 0.21 0.00 0.21 0.00 0.00 52.86 52.86 1n84 s ASN 183 Cb 0.09 -2.29 1.16 0.00 -0.55 0.00 0.00 41.25 39.65 1n84 s ASN 183 CO 0.57 -0.72 1.61 0.06 -2.79 0.00 0.00 177.10 175.83 1n84 h GLN 184 N 8.83 0.00 -0.35 0.43 3.07 -1.86 -1.23 115.11 124.00 1n84 h GLN 184 Ca -0.26 0.00 -0.02 0.00 0.09 0.00 0.00 58.65 58.47 1n84 h GLN 184 Cb 1.10 0.00 -0.01 0.00 0.08 0.00 0.00 27.48 28.65 1n84 h GLN 184 CO 0.86 0.00 0.01 0.66 0.09 0.00 0.00 178.83 180.45 1n84 n TYR 185 N -2.32 1.26 -3.05 0.06 4.01 -1.26 -4.40 117.16 111.46 1n84 n TYR 185 Ca -0.01 -0.89 -0.34 0.00 -0.16 0.00 0.00 57.90 56.50 1n84 n TYR 185 Cb 0.18 -0.38 -0.06 0.00 -0.31 0.00 0.00 39.34 38.77 1n84 n TYR 185 CO 0.00 0.00 0.00 0.12 -0.46 0.00 0.00 176.86 176.52 1n84 s PHE 186 N -2.85 3.44 0.13 -0.72 5.36 -0.47 -3.17 117.98 119.71 1n84 s PHE 186 Ca 0.46 1.36 0.00 0.00 -0.96 0.00 0.00 56.93 57.79 1n84 s PHE 186 Cb 0.37 -2.63 0.00 0.00 -0.34 0.00 0.00 43.02 40.41 1n84 s PHE 186 CO 0.10 0.11 0.00 0.41 -1.46 0.00 0.00 175.22 174.39 1n84 n GLY 187 N -0.13 -1.78 0.41 13.12 0.00 -0.57 -1.98 105.19 114.27 1n84 n GLY 187 Ca 0.03 -1.24 -0.14 0.00 0.00 0.00 0.00 46.02 44.67 1n84 n GLY 187 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 173.32 172.35 1n84 h TYR 188 N -0.52 -1.42 0.00 1.61 0.05 -1.93 0.18 116.97 114.93 1n84 h TYR 188 Ca 0.01 0.05 -0.07 0.00 0.05 0.00 0.00 58.73 58.78 1n84 h TYR 188 Cb 0.51 0.63 -0.01 0.00 1.01 0.00 0.00 36.73 38.87 1n84 h TYR 188 CO 0.00 -0.49 -0.32 0.77 -1.05 0.00 0.00 178.16 177.07 1n84 h SER 189 N -0.53 0.00 -0.19 3.88 0.02 -1.94 -1.24 113.55 113.55 1n84 h SER 189 Ca 0.02 0.00 -0.09 0.00 -0.84 0.00 0.00 61.79 60.88 1n84 h SER 189 Cb 0.61 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 63.15 1n84 h SER 189 CO -0.37 0.32 -0.24 1.23 -1.14 0.00 0.00 176.83 176.63 1n84 h GLY 190 N 1.40 0.55 1.16 -3.77 0.00 -0.96 -1.00 103.07 100.44 1n84 h GLY 190 Ca -0.00 -0.59 -0.00 0.00 0.00 0.00 0.00 47.33 46.73 1n84 h GLY 190 CO 0.04 0.53 0.50 0.00 0.00 0.00 0.00 176.54 177.61 1n84 h ALA 191 N 0.63 1.33 -0.45 3.60 0.00 -0.41 -1.19 119.26 122.77 1n84 h ALA 191 Ca 0.03 -0.09 -0.08 0.00 0.00 0.00 0.00 54.91 54.76 1n84 h ALA 191 Cb 0.80 -0.33 -0.02 0.00 0.00 0.00 0.00 17.79 18.24 1n84 h ALA 191 CO 0.06 0.58 -0.05 0.35 0.00 0.00 0.00 179.25 180.19 1n84 h PHE 192 N 1.13 0.91 -0.75 0.00 3.57 -1.06 -2.90 116.94 117.85 1n84 h PHE 192 Ca 0.30 -0.18 -0.01 0.00 3.53 0.00 0.00 57.97 61.61 1n84 h PHE 192 Cb -0.06 -0.23 -0.04 0.00 2.79 0.00 0.00 35.95 38.42 1n84 h PHE 192 CO 0.00 0.90 0.42 -0.22 -2.23 0.00 0.00 178.31 177.19 1n84 h LYS 193 N 0.67 1.03 -0.74 1.11 3.64 -0.59 -0.26 116.57 121.43 1n84 h LYS 193 Ca 0.12 -0.10 0.08 0.00 -1.27 0.00 0.00 60.65 59.48 1n84 h LYS 193 Cb 0.56 -0.21 -0.05 0.00 -0.41 0.00 0.00 32.23 32.13 1n84 h LYS 193 CO 0.03 0.74 0.48 0.00 -2.27 0.00 0.00 179.45 178.44 1n84 h LEU 195 N 0.71 -0.08 -0.56 0.00 5.85 -1.21 -1.59 115.31 118.42 1n84 h LEU 195 Ca 0.33 -0.50 0.11 0.00 0.84 0.00 0.00 57.88 58.66 1n84 h LEU 195 Cb 0.36 0.02 -0.09 0.00 0.37 0.00 0.00 40.66 41.32 1n84 h LEU 195 CO -0.11 0.59 0.01 0.50 -0.34 0.00 0.00 178.44 179.09 1n84 h LYS 196 N -0.90 0.13 0.00 1.25 3.64 -0.55 0.15 116.57 120.29 1n84 h LYS 196 Ca -0.01 -0.01 -0.00 0.00 -1.27 0.00 0.00 60.65 59.36 1n84 h LYS 196 Cb 0.58 -0.03 -0.00 0.00 -0.41 0.00 0.00 32.23 32.37 1n84 h LYS 196 CO 0.02 0.08 -0.02 -0.44 -2.27 0.00 0.00 179.45 176.82 1n84 h ASP 197 N 0.13 0.00 0.00 4.20 3.32 -0.39 -3.46 116.42 120.22 1n84 h ASP 197 Ca 0.29 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.34 1n84 h ASP 197 Cb 0.45 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.00 1n84 h ASP 197 CO -0.47 0.02 0.00 0.61 -1.72 0.00 0.00 179.24 177.69 1n84 n GLY 198 N -0.45 0.88 0.20 2.75 0.00 0.53 -4.97 105.19 104.13 1n84 n GLY 198 Ca -0.01 -0.10 -0.16 0.00 0.00 0.00 0.00 46.02 45.74 1n84 n GLY 198 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1n84 h ALA 199 N 0.00 0.32 -1.70 4.61 0.00 -1.49 -3.46 119.26 117.54 1n84 h ALA 199 Ca 0.00 -0.64 -0.63 0.00 0.00 0.00 0.00 54.91 53.65 1n84 h ALA 199 Cb 0.00 -0.01 -0.13 0.00 0.00 0.00 0.00 17.79 17.66 1n84 h ALA 199 CO 0.00 0.71 -0.61 0.20 0.00 0.00 0.00 179.25 179.56 1n84 s GLY 200 N -4.22 2.46 -0.05 0.00 0.00 -0.84 -4.92 107.32 99.75 1n84 s GLY 200 Ca -0.09 -2.27 0.20 0.00 0.00 0.00 0.00 44.72 42.56 1n84 s GLY 200 CO 0.90 -2.08 0.45 1.22 0.00 0.00 0.00 173.10 173.59 1n84 n ASP 201 N -0.96 0.19 -3.93 1.64 8.00 0.18 -4.62 116.55 117.06 1n84 n ASP 201 Ca -0.05 0.08 -0.10 0.00 0.71 0.00 0.00 54.79 55.44 1n84 n ASP 201 Cb 0.66 1.32 -0.10 0.00 -0.02 0.00 0.00 41.12 42.98 1n84 n ASP 201 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 1n84 s VAL 202 N -3.12 0.12 -0.09 2.53 0.11 -1.07 -4.41 120.40 114.47 1n84 s VAL 202 Ca -0.07 -0.98 -0.01 0.00 -2.93 0.00 0.00 61.98 57.99 1n84 s VAL 202 Cb 0.11 -0.69 0.03 0.00 -1.53 0.00 0.00 36.38 34.29 1n84 s VAL 202 CO 0.86 -0.54 -0.04 0.00 -3.33 0.00 0.00 175.10 172.05 1n84 s ALA 203 N -2.14 1.03 -0.57 1.54 0.00 -0.28 -1.44 121.76 119.90 1n84 s ALA 203 Ca -0.09 -0.34 -0.20 0.00 0.00 0.00 0.00 51.96 51.33 1n84 s ALA 203 Cb -0.04 -0.81 0.08 0.00 0.00 0.00 0.00 23.12 22.35 1n84 s ALA 203 CO -0.03 -0.41 0.74 -0.06 0.00 0.00 0.00 175.76 176.01 1n84 s PHE 204 N 1.77 2.94 0.00 0.00 0.08 -0.85 -1.40 117.98 120.52 1n84 s PHE 204 Ca 0.04 -0.69 0.00 0.00 0.12 0.00 0.00 56.93 56.40 1n84 s PHE 204 Cb -0.13 -3.92 0.00 0.00 -0.57 0.00 0.00 43.02 38.41 1n84 s PHE 204 CO -0.06 -1.28 0.00 1.33 -0.10 0.00 0.00 175.22 175.11 1n84 n VAL 205 N 5.68 0.00 -3.83 -0.44 0.24 -1.04 -3.73 118.33 115.20 1n84 n VAL 205 Ca -0.07 0.00 -0.21 0.00 -2.04 0.00 0.00 64.34 62.02 1n84 n VAL 205 Cb 0.44 0.00 -0.04 0.00 -1.47 0.00 0.00 33.84 32.77 1n84 n VAL 205 CO 0.00 0.00 0.00 -1.59 -2.14 0.00 0.00 176.83 173.10 1n84 s LYS 206 N 1.13 2.67 0.38 7.34 -2.85 -1.26 -1.09 119.74 126.06 1n84 s LYS 206 Ca 0.00 -1.34 0.11 0.00 -1.00 0.00 0.00 55.97 53.74 1n84 s LYS 206 Cb 0.00 -2.43 0.89 0.00 -2.06 0.00 0.00 37.83 34.22 1n84 s LYS 206 CO 0.00 0.08 1.90 1.12 0.10 0.00 0.00 175.35 178.55 1n84 h HIS 207 N 1.27 0.70 0.00 1.78 2.07 -1.74 -2.54 115.15 116.69 1n84 h HIS 207 Ca -0.44 0.02 0.00 0.00 -2.85 0.00 0.00 60.37 57.10 1n84 h HIS 207 Cb 1.25 -0.22 0.00 0.00 2.57 0.00 0.00 27.41 31.01 1n84 h HIS 207 CO 0.54 0.28 -0.17 -1.13 -3.07 0.00 0.00 177.93 174.37 1n84 n SER 208 N -4.52 0.61 -0.06 3.10 3.41 -1.26 -4.36 113.62 110.54 1n84 n SER 208 Ca 0.15 0.40 -0.09 0.00 -0.26 0.00 0.00 58.87 59.08 1n84 n SER 208 Cb 0.46 -0.45 -0.03 0.00 -0.26 0.00 0.00 64.21 63.93 1n84 n SER 208 CO 0.00 0.00 0.00 0.74 -0.16 0.00 0.00 175.04 175.62 1n84 h THR 209 N 0.00 0.26 -0.89 6.66 2.02 -1.86 -0.57 112.91 118.52 1n84 h THR 209 Ca 0.00 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.18 1n84 h THR 209 Cb 0.68 0.26 -0.04 0.00 -1.74 0.00 0.00 68.15 67.30 1n84 h THR 209 CO 0.00 0.00 0.57 -0.29 0.37 0.00 0.00 175.52 176.17 1n84 h ILE 210 N -0.32 1.24 0.00 3.11 2.10 -1.79 -1.50 117.51 120.34 1n84 h ILE 210 Ca 0.13 -0.48 -0.04 0.00 1.08 0.00 0.00 64.86 65.56 1n84 h ILE 210 Cb 0.54 -0.05 -0.01 0.00 -1.09 0.00 0.00 36.82 36.21 1n84 h ILE 210 CO -0.44 0.24 -0.19 -0.26 -1.08 0.00 0.00 178.15 176.42 1n84 h PHE 211 N 1.22 0.00 0.00 2.19 0.04 -1.66 0.36 116.94 119.08 1n84 h PHE 211 Ca 0.32 0.00 0.00 0.00 2.80 0.00 0.00 57.97 61.09 1n84 h PHE 211 Cb -0.10 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.05 1n84 h PHE 211 CO -0.00 0.19 0.00 0.93 -0.60 0.00 0.00 178.31 178.82 1n84 h GLU 212 N 0.00 0.00 0.00 1.51 5.08 -0.11 -3.37 114.58 117.70 1n84 h GLU 212 Ca -0.00 0.00 -0.19 0.00 -1.00 0.00 0.00 59.36 58.16 1n84 h GLU 212 Cb 0.47 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.68 1n84 h GLU 212 CO 0.02 0.00 -1.74 0.09 -1.00 0.00 0.00 179.01 176.39 1n84 n ASN 213 N -3.00 2.34 -4.12 1.42 3.02 -0.69 -4.93 115.26 109.28 1n84 n ASN 213 Ca 0.04 0.00 -0.33 0.00 -0.03 0.00 0.00 54.58 54.26 1n84 n ASN 213 Cb 0.52 0.78 -0.14 0.00 -0.61 0.00 0.00 39.78 40.32 1n84 n ASN 213 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 1n84 s LEU 214 N -4.78 3.58 0.26 3.41 1.43 0.12 -4.99 118.68 117.71 1n84 s LEU 214 Ca -0.05 -1.29 0.19 0.00 -1.03 0.00 0.00 54.13 51.95 1n84 s LEU 214 Cb 0.03 -1.62 0.08 0.00 0.03 0.00 0.00 46.19 44.71 1n84 s LEU 214 CO 0.44 -0.21 1.27 0.00 0.23 0.00 0.00 176.35 178.08 1n84 h ALA 215 N 7.89 0.71 -2.91 4.21 0.00 -1.85 -3.42 119.26 123.90 1n84 h ALA 215 Ca -0.22 -0.31 -0.60 0.00 0.00 0.00 0.00 54.91 53.78 1n84 h ALA 215 Cb 1.06 0.03 -0.12 0.00 0.00 0.00 0.00 17.79 18.76 1n84 h ALA 215 CO 0.50 0.37 -0.25 -0.80 0.00 0.00 0.00 179.25 179.07 1n84 s ASN 216 N -6.00 6.39 0.65 0.00 0.01 -1.26 -4.93 114.94 109.80 1n84 s ASN 216 Ca 0.02 0.46 0.38 0.00 -0.71 0.00 0.00 52.86 53.01 1n84 s ASN 216 Cb 0.08 -2.21 2.11 0.00 0.41 0.00 0.00 41.25 41.64 1n84 s ASN 216 CO 0.75 -0.04 2.23 0.50 -1.51 0.00 0.00 177.10 179.03 1n84 h LYS 217 N 7.33 0.00 -0.31 -0.60 3.64 -1.99 0.50 116.57 125.14 1n84 h LYS 217 Ca -0.37 0.00 -0.10 0.00 -1.27 0.00 0.00 60.65 58.91 1n84 h LYS 217 Cb 1.16 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.97 1n84 h LYS 217 CO 0.71 0.00 -0.22 0.00 -2.27 0.00 0.00 179.45 177.67 1n84 h ALA 218 N 1.82 1.05 0.03 5.00 0.00 -1.98 -1.75 119.26 123.44 1n84 h ALA 218 Ca 0.01 -0.34 -0.22 0.00 0.00 0.00 0.00 54.91 54.36 1n84 h ALA 218 Cb 0.21 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.85 1n84 h ALA 218 CO -0.00 0.57 -0.97 -0.44 0.00 0.00 0.00 179.25 178.41 1n84 h ASP 219 N 0.51 0.28 1.20 0.00 3.32 -1.30 -3.21 116.42 117.22 1n84 h ASP 219 Ca 0.08 -0.25 -0.04 0.00 0.02 0.00 0.00 57.03 56.84 1n84 h ASP 219 Cb 0.66 -0.09 -0.01 0.00 0.22 0.00 0.00 39.33 40.12 1n84 h ASP 219 CO 0.05 1.10 -0.19 0.03 -1.72 0.00 0.00 179.24 178.50 1n84 h ARG 220 N 0.10 0.00 0.00 3.56 3.08 -1.33 -2.84 114.38 116.95 1n84 h ARG 220 Ca -0.06 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.99 1n84 h ARG 220 Cb 1.64 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.69 1n84 h ARG 220 CO 0.15 0.19 0.00 -0.25 -1.07 0.00 0.00 179.97 178.99 1n84 n ASP 221 N -3.27 0.00 -1.12 7.04 8.00 -0.67 -1.99 116.55 124.55 1n84 n ASP 221 Ca 0.01 -0.92 0.10 0.00 0.71 0.00 0.00 54.79 54.69 1n84 n ASP 221 Cb 0.47 0.00 0.26 0.00 -0.02 0.00 0.00 41.12 41.83 1n84 n ASP 221 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1n84 n GLN 222 N -0.82 2.70 -4.19 -1.24 1.13 -1.07 -4.89 117.38 109.00 1n84 n GLN 222 Ca 0.11 -2.42 -0.16 0.00 -1.94 0.00 0.00 57.00 52.58 1n84 n GLN 222 Cb 0.05 -1.47 -0.11 0.00 0.11 0.00 0.00 30.24 28.81 1n84 n GLN 222 CO 0.00 0.00 0.00 0.71 -1.44 0.00 0.00 177.06 176.33 1n84 s TYR 223 N -1.05 1.18 0.40 1.08 1.51 -0.84 -0.91 117.35 118.72 1n84 s TYR 223 Ca 0.40 -0.56 0.05 0.00 -1.01 0.00 0.00 57.07 55.96 1n84 s TYR 223 Cb 0.21 -0.64 -0.02 0.00 -0.11 0.00 0.00 41.96 41.40 1n84 s TYR 223 CO 0.28 0.05 0.19 -1.21 -1.11 0.00 0.00 175.55 173.76 1n84 s GLU 224 N -2.36 1.93 0.07 -0.62 2.02 0.59 -4.40 118.70 115.93 1n84 s GLU 224 Ca 0.03 -2.17 0.08 0.00 0.02 0.00 0.00 54.97 52.93 1n84 s GLU 224 Cb -0.06 -0.27 -0.03 0.00 0.10 0.00 0.00 34.13 33.87 1n84 s GLU 224 CO 0.02 -0.58 -0.22 -0.51 0.02 0.00 0.00 175.26 173.98 1n84 s LEU 225 N -3.55 2.23 -0.23 1.80 1.43 -0.09 -1.80 118.68 118.47 1n84 s LEU 225 Ca 0.28 -0.62 -0.14 0.00 -1.03 0.00 0.00 54.13 52.62 1n84 s LEU 225 Cb 0.02 -1.02 -0.04 0.00 0.03 0.00 0.00 46.19 45.17 1n84 s LEU 225 CO 0.19 0.14 0.32 -0.76 0.23 0.00 0.00 176.35 176.48 1n84 s LEU 226 N -1.55 4.12 0.14 1.79 1.43 -0.40 -2.19 118.68 122.03 1n84 s LEU 226 Ca 0.09 0.35 0.03 0.00 -1.03 0.00 0.00 54.13 53.56 1n84 s LEU 226 Cb -0.10 -2.37 -0.04 0.00 0.03 0.00 0.00 46.19 43.72 1n84 s LEU 226 CO 0.03 -0.05 0.27 0.00 0.23 0.00 0.00 176.35 176.82 1n84 h LEU 228 N 2.22 0.11 -2.11 0.00 3.38 -1.86 -1.93 115.31 115.12 1n84 h LEU 228 Ca -0.48 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 57.42 1n84 h LEU 228 Cb 1.19 -0.02 -0.04 0.00 0.09 0.00 0.00 40.66 41.88 1n84 h LEU 228 CO 0.69 0.07 0.09 -0.90 0.09 0.00 0.00 178.44 178.47 1n84 n ASP 229 N -4.43 2.76 -3.79 -0.43 5.68 -1.26 -4.86 116.55 110.23 1n84 n ASP 229 Ca 0.08 -2.28 -0.24 0.00 -0.50 0.00 0.00 54.79 51.86 1n84 n ASP 229 Cb 0.48 -0.56 0.02 0.00 -1.14 0.00 0.00 41.12 39.92 1n84 n ASP 229 CO 0.00 0.00 0.00 0.59 -1.33 0.00 0.00 177.20 176.46 1n84 n ASN 230 N 0.16 -1.57 -4.23 -1.12 3.02 -0.73 -5.00 115.26 105.79 1n84 n ASN 230 Ca 0.10 -0.85 -0.15 0.00 -0.03 0.00 0.00 54.58 53.65 1n84 n ASN 230 Cb 0.64 -3.83 -0.10 0.00 -0.61 0.00 0.00 39.78 35.88 1n84 n ASN 230 CO 0.00 0.00 0.00 0.42 -2.62 0.00 0.00 177.26 175.06 1n84 s THR 231 N -3.66 0.33 0.01 3.41 -4.23 -1.24 -4.87 115.64 105.39 1n84 s THR 231 Ca 0.11 -2.00 0.07 0.00 -1.18 0.00 0.00 61.69 58.70 1n84 s THR 231 Cb -0.06 -2.58 -0.02 0.00 1.34 0.00 0.00 72.50 71.19 1n84 s THR 231 CO 0.83 0.00 -0.22 -0.13 -0.54 0.00 0.00 174.62 174.56 1n84 s ARG 232 N -4.05 1.65 0.15 3.99 0.52 -1.26 -1.23 118.95 118.72 1n84 s ARG 232 Ca 0.38 -0.89 0.05 0.00 -0.52 0.00 0.00 55.73 54.75 1n84 s ARG 232 Cb 0.07 -1.68 -0.04 0.00 0.52 0.00 0.00 34.95 33.81 1n84 s ARG 232 CO 0.14 0.45 -0.10 0.15 0.02 0.00 0.00 175.30 175.95 1n84 s LYS 233 N -0.86 1.07 0.91 3.54 1.02 -0.93 -4.94 119.74 119.56 1n84 s LYS 233 Ca 0.09 -1.46 -0.10 0.00 0.02 0.00 0.00 55.97 54.51 1n84 s LYS 233 Cb -0.09 -0.64 0.14 0.00 -0.52 0.00 0.00 37.83 36.73 1n84 s LYS 233 CO 0.01 0.08 1.12 -2.14 -0.92 0.00 0.00 175.35 173.50 1n84 s PRO 234 N -3.75 1.06 0.13 -1.68 0.02 -1.26 -0.91 135.00 128.61 1n84 s PRO 234 Ca 0.17 1.39 0.19 0.00 0.02 0.00 0.00 61.00 62.77 1n84 s PRO 234 Cb 0.02 -1.74 0.81 0.00 0.02 0.00 0.00 34.50 33.61 1n84 s PRO 234 CO 0.01 -2.55 1.60 1.33 -0.33 0.00 0.00 177.00 177.05 1n84 n VAL 235 N -4.16 0.90 0.60 3.83 0.24 -1.26 -2.32 118.33 116.15 1n84 n VAL 235 Ca 0.10 0.23 0.13 0.00 -2.04 0.00 0.00 64.34 62.76 1n84 n VAL 235 Cb 0.53 -1.07 0.33 0.00 -1.47 0.00 0.00 33.84 32.16 1n84 n VAL 235 CO 0.00 0.00 0.00 0.47 -2.14 0.00 0.00 176.83 175.16 1n84 n ASP 236 N -1.87 0.79 -2.17 -1.34 9.92 -1.26 -3.88 116.55 116.74 1n84 n ASP 236 Ca 0.03 0.43 -0.25 0.00 -0.53 0.00 0.00 54.79 54.47 1n84 n ASP 236 Cb 0.20 -0.50 0.13 0.00 -0.64 0.00 0.00 41.12 40.32 1n84 n ASP 236 CO 0.00 0.00 0.00 -0.62 0.13 0.00 0.00 177.20 176.71 1n84 n GLU 237 N -2.23 2.27 0.14 -1.24 1.02 -0.98 -4.64 120.64 114.99 1n84 n GLU 237 Ca 0.05 -2.83 0.07 0.00 -0.02 0.00 0.00 57.16 54.43 1n84 n GLU 237 Cb 0.43 -2.11 0.56 0.00 -0.02 0.00 0.00 31.44 30.31 1n84 n GLU 237 CO 0.00 0.00 0.00 0.10 1.18 0.00 0.00 177.13 178.41 1n84 h TYR 238 N 1.24 0.19 0.00 -0.32 -0.00 -1.77 -1.33 116.97 114.99 1n84 h TYR 238 Ca 0.58 0.00 -0.01 0.00 0.00 0.00 0.00 58.73 59.30 1n84 h TYR 238 Cb 2.10 -0.06 -0.00 0.00 0.00 0.00 0.00 36.73 38.77 1n84 h TYR 238 CO 1.42 0.12 -0.04 0.87 -0.00 0.00 0.00 178.16 180.53 1n84 h LYS 239 N 0.20 0.00 -0.36 0.10 1.57 -1.94 -0.73 116.57 115.41 1n84 h LYS 239 Ca 0.08 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.86 1n84 h LYS 239 Cb 0.06 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.37 1n84 h LYS 239 CO -0.01 0.04 0.00 -0.25 -0.57 0.00 0.00 179.45 178.65 1n84 n ASP 240 N -3.84 3.17 -2.81 0.86 8.00 -0.55 -4.72 116.55 116.65 1n84 n ASP 240 Ca -0.03 -2.16 -0.10 0.00 0.71 0.00 0.00 54.79 53.21 1n84 n ASP 240 Cb 0.13 -0.30 0.04 0.00 -0.02 0.00 0.00 41.12 40.96 1n84 n ASP 240 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1n84 s HIS 242 N 0.39 1.35 -0.03 0.00 -3.43 -1.08 -4.58 115.29 107.90 1n84 s HIS 242 Ca 0.32 -0.99 -0.02 0.00 -0.80 0.00 0.00 55.06 53.57 1n84 s HIS 242 Cb 0.23 -0.77 -0.27 0.00 -1.43 0.00 0.00 32.58 30.34 1n84 s HIS 242 CO -0.22 -0.15 0.70 -0.07 -2.00 0.00 0.00 174.74 173.00 1n84 h LEU 243 N 2.60 0.35 -7.30 5.38 3.38 -0.95 -3.42 115.31 115.35 1n84 h LEU 243 Ca -0.37 -0.57 0.31 0.00 0.09 0.00 0.00 57.88 57.34 1n84 h LEU 243 Cb 1.21 -0.11 -0.11 0.00 0.09 0.00 0.00 40.66 41.74 1n84 h LEU 243 CO 0.63 1.49 0.79 0.00 0.09 0.00 0.00 178.44 181.44 1n84 s ALA 244 N -2.60 -2.18 -0.16 1.53 0.00 -1.23 -4.99 121.76 112.14 1n84 s ALA 244 Ca -0.12 0.60 -0.03 0.00 0.00 0.00 0.00 51.96 52.41 1n84 s ALA 244 Cb 0.07 0.41 -0.03 0.00 0.00 0.00 0.00 23.12 23.57 1n84 s ALA 244 CO 0.83 -1.06 -0.05 -0.65 0.00 0.00 0.00 175.76 174.83 1n84 s GLN 245 N -2.50 3.63 0.19 0.00 -0.21 -1.26 -0.93 119.66 118.57 1n84 s GLN 245 Ca 0.15 -0.54 0.08 0.00 0.02 0.00 0.00 55.36 55.07 1n84 s GLN 245 Cb 0.04 -2.89 -0.04 0.00 1.00 0.00 0.00 33.01 31.12 1n84 s GLN 245 CO -0.03 0.22 -0.17 0.14 -2.12 0.00 0.00 175.29 173.33 1n84 s VAL 246 N 0.42 1.83 0.52 1.09 -7.23 -0.59 -4.96 120.40 111.48 1n84 s VAL 246 Ca -0.04 -2.05 -0.21 0.00 -1.81 0.00 0.00 61.98 57.86 1n84 s VAL 246 Cb -0.14 -1.94 -0.06 0.00 0.56 0.00 0.00 36.38 34.80 1n84 s VAL 246 CO 0.03 -0.42 1.22 -2.84 -0.31 0.00 0.00 175.10 172.78 1n84 s PRO 247 N -3.14 3.39 0.80 4.82 0.02 -1.26 -1.78 135.00 137.85 1n84 s PRO 247 Ca 0.19 1.89 -0.12 0.00 0.02 0.00 0.00 61.00 62.99 1n84 s PRO 247 Cb -0.04 -2.23 0.08 0.00 0.02 0.00 0.00 34.50 32.33 1n84 s PRO 247 CO 0.07 -0.89 1.14 -1.54 -0.33 0.00 0.00 177.00 175.46 1n84 s SER 248 N -1.34 3.92 0.71 2.53 1.04 -1.05 -4.46 113.70 115.06 1n84 s SER 248 Ca 0.69 2.11 -0.15 0.00 0.48 0.00 0.00 55.95 59.08 1n84 s SER 248 Cb -0.32 -2.56 0.03 0.00 0.10 0.00 0.00 66.02 63.27 1n84 s SER 248 CO 0.37 -2.44 1.18 -1.00 0.98 0.00 0.00 173.24 172.33 1n84 s HIS 249 N -2.53 2.21 0.03 5.02 3.76 -1.26 -4.44 115.29 118.09 1n84 s HIS 249 Ca 0.67 1.59 -0.00 0.00 -0.15 0.00 0.00 55.06 57.17 1n84 s HIS 249 Cb -0.22 -3.38 -0.03 0.00 1.11 0.00 0.00 32.58 30.06 1n84 s HIS 249 CO 0.52 -2.33 -0.03 0.95 -0.85 0.00 0.00 174.74 173.00 1n84 s THR 250 N -2.10 0.15 -0.04 1.30 -4.23 -0.50 -1.60 115.64 108.62 1n84 s THR 250 Ca 0.72 -1.23 -0.22 0.00 -1.18 0.00 0.00 61.69 59.78 1n84 s THR 250 Cb -0.26 -0.71 -0.04 0.00 1.34 0.00 0.00 72.50 72.82 1n84 s THR 250 CO 0.44 -0.68 0.66 -0.69 -0.54 0.00 0.00 174.62 173.81 1n84 s VAL 251 N -2.34 4.98 0.19 2.29 1.01 0.29 -0.74 120.40 126.07 1n84 s VAL 251 Ca -0.08 1.37 0.09 0.00 0.00 0.00 0.00 61.98 63.36 1n84 s VAL 251 Cb -0.04 -4.00 -0.04 0.00 0.00 0.00 0.00 36.38 32.30 1n84 s VAL 251 CO -0.04 0.32 -0.08 0.68 0.00 0.00 0.00 175.10 175.98 1n84 s VAL 252 N 0.39 3.26 0.23 2.92 -7.23 -0.77 -0.57 120.40 118.63 1n84 s VAL 252 Ca 0.35 -1.66 -0.10 0.00 -1.81 0.00 0.00 61.98 58.76 1n84 s VAL 252 Cb -0.18 -2.62 -0.01 0.00 0.56 0.00 0.00 36.38 34.12 1n84 s VAL 252 CO 0.18 -0.13 0.38 0.00 -0.31 0.00 0.00 175.10 175.22 1n84 s ALA 253 N -1.75 0.13 0.78 1.32 0.00 -0.29 -3.69 121.76 118.26 1n84 s ALA 253 Ca 0.26 -1.08 -0.14 0.00 0.00 0.00 0.00 51.96 51.00 1n84 s ALA 253 Cb -0.09 1.14 0.07 0.00 0.00 0.00 0.00 23.12 24.24 1n84 s ALA 253 CO 0.16 -0.78 1.19 1.03 0.00 0.00 0.00 175.76 177.37 1n84 s ARG 254 N -4.05 1.84 0.25 0.00 0.52 -1.26 -1.34 118.95 114.91 1n84 s ARG 254 Ca 0.26 1.71 0.21 0.00 -0.52 0.00 0.00 55.73 57.39 1n84 s ARG 254 Cb 0.01 -1.80 0.08 0.00 0.52 0.00 0.00 34.95 33.76 1n84 s ARG 254 CO 0.09 -2.05 1.20 0.66 0.02 0.00 0.00 175.30 175.22 1n84 h SER 255 N -0.73 0.00 -3.29 0.23 4.64 -1.91 -3.35 113.55 109.15 1n84 h SER 255 Ca -0.46 0.00 -0.62 0.00 -0.47 0.00 0.00 61.79 60.24 1n84 h SER 255 Cb 1.29 0.00 -0.34 0.00 -0.31 0.00 0.00 62.40 63.04 1n84 h SER 255 CO 0.48 0.13 -0.85 -0.32 -0.87 0.00 0.00 176.83 175.39 1n84 s MET 256 N -3.22 2.52 -1.44 4.77 -2.45 -1.26 -4.69 119.30 113.53 1n84 s MET 256 Ca 0.02 -0.68 -0.10 0.00 -1.25 0.00 0.00 55.69 53.67 1n84 s MET 256 Cb 0.08 -2.04 0.05 0.00 1.25 0.00 0.00 34.83 34.17 1n84 s MET 256 CO 0.76 0.02 0.99 0.41 1.05 0.00 0.00 175.02 178.25 1n84 n GLY 257 N 3.94 -0.47 0.24 2.11 0.00 -1.26 -4.89 105.19 104.86 1n84 n GLY 257 Ca -0.20 0.20 0.14 0.00 0.00 0.00 0.00 46.02 46.16 1n84 n GLY 257 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1n84 n GLY 258 N -1.73 -0.56 2.48 -0.02 0.00 -1.26 -4.89 105.19 99.21 1n84 n GLY 258 Ca -0.03 -0.33 -0.17 0.00 0.00 0.00 0.00 46.02 45.48 1n84 n GLY 258 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1n84 n LYS 259 N -0.50 -2.13 -0.18 1.61 5.02 -1.26 -4.45 118.16 116.27 1n84 n LYS 259 Ca 0.19 0.82 0.12 0.00 -2.02 0.00 0.00 58.31 57.41 1n84 n LYS 259 Cb 0.27 -5.47 0.44 0.00 -0.02 0.00 0.00 35.03 30.26 1n84 n LYS 259 CO 0.00 0.00 0.00 1.05 -0.52 0.00 0.00 177.40 177.93 1n84 h GLU 260 N -0.10 0.53 -0.37 1.97 9.09 -1.92 -0.66 114.58 123.13 1n84 h GLU 260 Ca -0.41 -0.03 -0.05 0.00 0.05 0.00 0.00 59.36 58.92 1n84 h GLU 260 Cb 1.30 -0.12 -0.01 0.00 -1.65 0.00 0.00 28.75 28.27 1n84 h GLU 260 CO 0.48 0.35 0.05 0.38 0.05 0.00 0.00 179.01 180.33 1n84 h ASP 261 N 0.55 0.59 0.08 3.06 2.03 -2.00 -2.51 116.42 118.22 1n84 h ASP 261 Ca 0.36 -0.27 -0.14 0.00 -0.73 0.00 0.00 57.03 56.25 1n84 h ASP 261 Cb 0.65 -0.16 -0.01 0.00 -0.83 0.00 0.00 39.33 38.98 1n84 h ASP 261 CO -0.13 0.71 -0.48 -0.07 -1.03 0.00 0.00 179.24 178.24 1n84 h LEU 262 N 0.45 0.51 -0.26 0.15 3.38 -1.75 -2.22 115.31 115.57 1n84 h LEU 262 Ca 0.11 -0.25 0.01 0.00 0.09 0.00 0.00 57.88 57.85 1n84 h LEU 262 Cb 0.37 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 40.96 1n84 h LEU 262 CO 0.01 0.91 0.13 0.40 0.09 0.00 0.00 178.44 179.98 1n84 h ILE 263 N 0.37 1.00 -0.24 1.22 2.04 -1.02 -0.99 117.51 119.89 1n84 h ILE 263 Ca 0.02 -0.09 -0.03 0.00 1.00 0.00 0.00 64.86 65.75 1n84 h ILE 263 Cb 0.98 0.70 -0.01 0.00 -0.74 0.00 0.00 36.82 37.75 1n84 h ILE 263 CO 0.09 0.05 0.03 -0.25 0.00 0.00 0.00 178.15 178.06 1n84 h TRP 264 N 0.28 0.44 -0.65 1.37 2.91 -1.40 -1.65 115.95 117.23 1n84 h TRP 264 Ca 0.10 -0.07 0.08 0.00 1.13 0.00 0.00 58.89 60.14 1n84 h TRP 264 Cb 0.02 -0.12 -0.07 0.00 -0.51 0.00 0.00 29.16 28.49 1n84 h TRP 264 CO -0.09 0.55 0.31 1.49 -1.03 0.00 0.00 178.44 179.67 1n84 h GLU 265 N 0.21 0.53 -0.03 2.65 4.81 -1.20 0.32 114.58 121.86 1n84 h GLU 265 Ca 0.07 -0.03 -0.00 0.00 -0.13 0.00 0.00 59.36 59.27 1n84 h GLU 265 Cb 0.35 -0.12 -0.00 0.00 0.63 0.00 0.00 28.75 29.61 1n84 h GLU 265 CO 0.01 0.35 0.01 1.25 -0.73 0.00 0.00 179.01 179.90 1n84 h LEU 266 N 0.55 0.05 -0.70 1.64 5.85 -1.08 -2.17 115.31 119.45 1n84 h LEU 266 Ca 0.32 -0.20 -0.12 0.00 0.84 0.00 0.00 57.88 58.71 1n84 h LEU 266 Cb 0.32 -0.01 -0.01 0.00 0.37 0.00 0.00 40.66 41.32 1n84 h LEU 266 CO -0.25 0.24 -0.34 -0.07 -0.34 0.00 0.00 178.44 177.68 1n84 h LEU 267 N -0.14 0.65 -0.50 2.25 3.38 -0.84 0.19 115.31 120.30 1n84 h LEU 267 Ca 0.01 -0.27 -0.08 0.00 0.09 0.00 0.00 57.88 57.64 1n84 h LEU 267 Cb 0.21 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 40.76 1n84 h LEU 267 CO -0.00 0.94 0.01 -1.13 0.09 0.00 0.00 178.44 178.35 1n84 h ASN 268 N 0.53 0.86 -0.07 -0.43 -1.24 -0.38 0.07 115.58 114.91 1n84 h ASN 268 Ca 0.06 -0.30 -0.19 0.00 0.71 0.00 0.00 56.30 56.58 1n84 h ASN 268 Cb 0.83 -0.23 0.00 0.00 0.73 0.00 0.00 38.32 39.65 1n84 h ASN 268 CO 0.07 0.95 -0.64 1.56 -1.29 0.00 0.00 177.43 178.08 1n84 h GLN 269 N 0.74 0.69 -0.69 6.67 4.20 -1.28 -2.75 115.11 122.68 1n84 h GLN 269 Ca 0.14 -0.48 0.00 0.00 0.06 0.00 0.00 58.65 58.37 1n84 h GLN 269 Cb 0.50 0.08 -0.03 0.00 0.30 0.00 0.00 27.48 28.33 1n84 h GLN 269 CO 0.02 1.10 0.45 0.00 -0.67 0.00 0.00 178.83 179.74 1n84 h ALA 270 N 0.78 0.87 0.00 3.87 0.00 -0.36 -1.47 119.26 122.96 1n84 h ALA 270 Ca -0.01 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 54.83 1n84 h ALA 270 Cb 1.23 -0.28 -0.00 0.00 0.00 0.00 0.00 17.79 18.73 1n84 h ALA 270 CO 0.13 0.31 -0.07 -0.56 0.00 0.00 0.00 179.25 179.06 1n84 h GLN 271 N 0.93 0.00 0.08 0.00 3.07 -0.95 0.24 115.11 118.48 1n84 h GLN 271 Ca 0.25 0.00 -0.00 0.00 0.09 0.00 0.00 58.65 58.99 1n84 h GLN 271 Cb -0.09 0.00 0.00 0.00 0.08 0.00 0.00 27.48 27.47 1n84 h GLN 271 CO -0.05 0.07 -0.04 0.93 0.09 0.00 0.00 178.83 179.83 1n84 h GLU 272 N 0.00 -0.11 0.00 0.06 5.08 -0.99 -2.36 114.58 116.27 1n84 h GLU 272 Ca -0.00 0.01 -0.21 0.00 -1.00 0.00 0.00 59.36 58.16 1n84 h GLU 272 Cb 0.60 0.02 -0.03 0.00 0.50 0.00 0.00 28.75 29.84 1n84 h GLU 272 CO 0.01 0.43 -1.05 0.45 -1.00 0.00 0.00 179.01 177.85 1n84 h HIS 273 N -0.76 0.00 0.00 4.33 3.86 -1.27 -3.39 115.15 117.91 1n84 h HIS 273 Ca -0.01 0.00 -0.03 0.00 -1.16 0.00 0.00 60.37 59.17 1n84 h HIS 273 Cb 0.59 0.00 -0.06 0.00 1.06 0.00 0.00 27.41 29.00 1n84 h HIS 273 CO 0.12 0.95 -0.39 1.19 0.86 0.00 0.00 177.93 180.66 1n84 n PHE 274 N -3.30 0.00 -0.66 2.45 3.72 0.83 -4.05 117.46 116.46 1n84 n PHE 274 Ca -0.02 -0.72 0.00 0.00 -0.05 0.00 0.00 57.45 56.66 1n84 n PHE 274 Cb 0.94 -0.14 0.00 0.00 -0.94 0.00 0.00 39.48 39.34 1n84 n PHE 274 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1n84 n GLY 275 N -0.67 -1.90 3.68 1.37 0.00 -0.89 -1.50 105.19 105.29 1n84 n GLY 275 Ca 0.10 -1.53 -0.49 0.00 0.00 0.00 0.00 46.02 44.10 1n84 n GLY 275 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1n84 n LYS 276 N -1.23 2.03 -1.17 1.61 4.76 -1.26 -1.60 118.16 121.31 1n84 n LYS 276 Ca 0.00 0.74 -0.06 0.00 -2.87 0.00 0.00 58.31 56.13 1n84 n LYS 276 Cb 0.00 -2.56 -0.02 0.00 -1.84 0.00 0.00 35.03 30.61 1n84 n LYS 276 CO 0.00 0.00 0.00 -0.25 -1.37 0.00 0.00 177.40 175.78 1n84 n ASP 277 N 5.94 -5.63 0.10 4.39 8.00 -1.26 -4.87 116.55 123.22 1n84 n ASP 277 Ca 0.22 0.14 -0.16 0.00 0.71 0.00 0.00 54.79 55.70 1n84 n ASP 277 Cb 0.27 -3.64 -0.14 0.00 -0.02 0.00 0.00 41.12 37.59 1n84 n ASP 277 CO 0.00 0.00 0.00 0.11 -0.39 0.00 0.00 177.20 176.92 1n84 h LYS 278 N 0.06 0.29 -4.43 -1.24 1.79 -1.61 -3.47 116.57 107.94 1n84 h LYS 278 Ca -0.12 -0.49 -0.23 0.00 -2.18 0.00 0.00 60.65 57.63 1n84 h LYS 278 Cb 1.02 0.18 -0.20 0.00 -1.58 0.00 0.00 32.23 31.66 1n84 h LYS 278 CO 0.17 1.22 -0.72 0.45 -1.08 0.00 0.00 179.45 179.50 1n84 s SER 279 N -7.16 0.75 0.06 0.86 0.15 -1.26 -4.90 113.70 102.20 1n84 s SER 279 Ca -0.05 -0.64 0.19 0.00 0.70 0.00 0.00 55.95 56.15 1n84 s SER 279 Cb 0.07 0.07 -0.14 0.00 -1.71 0.00 0.00 66.02 64.31 1n84 s SER 279 CO 0.89 -0.29 0.76 0.29 1.20 0.00 0.00 173.24 176.08 1n84 n LYS 280 N 1.15 0.63 0.10 5.44 4.76 -1.26 -4.36 118.16 124.62 1n84 n LYS 280 Ca -0.21 0.12 -0.22 0.00 -2.87 0.00 0.00 58.31 55.13 1n84 n LYS 280 Cb 0.56 -1.75 -0.15 0.00 -1.84 0.00 0.00 35.03 31.86 1n84 n LYS 280 CO 0.00 0.00 0.00 0.93 -1.37 0.00 0.00 177.40 176.96 1n84 h GLU 281 N 0.00 0.41 -2.99 1.97 3.07 -1.97 -3.47 114.58 111.60 1n84 h GLU 281 Ca -0.14 -0.70 -0.15 0.00 -0.50 0.00 0.00 59.36 57.88 1n84 h GLU 281 Cb 1.42 0.26 -0.25 0.00 -0.84 0.00 0.00 28.75 29.34 1n84 h GLU 281 CO 0.03 1.32 -0.35 0.12 -1.40 0.00 0.00 179.01 178.73 1n84 s PHE 282 N -2.60 -0.33 -0.14 4.33 5.36 -1.26 -5.12 117.98 118.21 1n84 s PHE 282 Ca -0.11 0.79 0.02 0.00 -0.96 0.00 0.00 56.93 56.67 1n84 s PHE 282 Cb 0.05 0.11 0.02 0.00 -0.34 0.00 0.00 43.02 42.86 1n84 s PHE 282 CO 0.89 -0.18 -0.19 -0.65 -1.46 0.00 0.00 175.22 173.63 1n84 s GLN 283 N 0.04 2.74 0.15 10.12 1.11 -1.26 -4.44 119.66 128.11 1n84 s GLN 283 Ca -0.01 -0.74 -0.11 0.00 0.01 0.00 0.00 55.36 54.50 1n84 s GLN 283 Cb -0.02 -2.30 -0.02 0.00 -1.01 0.00 0.00 33.01 29.65 1n84 s GLN 283 CO 0.01 -0.10 1.51 1.25 0.01 0.00 0.00 175.29 177.97 1n84 h LEU 284 N 7.59 0.98 -3.96 2.90 5.85 -1.56 -3.30 115.31 123.81 1n84 h LEU 284 Ca -0.36 -0.42 -0.66 0.00 0.84 0.00 0.00 57.88 57.28 1n84 h LEU 284 Cb 1.17 -0.27 -0.31 0.00 0.37 0.00 0.00 40.66 41.62 1n84 h LEU 284 CO 0.56 1.19 0.65 0.49 -0.34 0.00 0.00 178.44 180.98 1n84 n PHE 285 N -4.13 3.16 -3.64 1.25 3.72 -1.26 -4.75 117.46 111.82 1n84 n PHE 285 Ca -0.01 -2.90 -0.01 0.00 -0.05 0.00 0.00 57.45 54.48 1n84 n PHE 285 Cb 0.48 -1.30 -0.01 0.00 -0.94 0.00 0.00 39.48 37.71 1n84 n PHE 285 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 176.76 177.16 1n84 s SER 286 N -2.05 -0.11 -0.28 4.37 0.15 -1.24 -4.37 113.70 110.15 1n84 s SER 286 Ca 0.63 -0.17 -0.27 0.00 0.70 0.00 0.00 55.95 56.84 1n84 s SER 286 Cb 0.50 0.24 0.18 0.00 -1.71 0.00 0.00 66.02 65.23 1n84 s SER 286 CO -0.00 -0.44 1.36 -0.55 1.20 0.00 0.00 173.24 174.81 1n84 s SER 287 N -2.83 -0.10 0.00 5.45 0.15 -1.26 -4.67 113.70 110.45 1n84 s SER 287 Ca 0.13 0.15 0.30 0.00 0.70 0.00 0.00 55.95 57.23 1n84 s SER 287 Cb 0.02 0.15 1.48 0.00 -1.71 0.00 0.00 66.02 65.96 1n84 s SER 287 CO -0.03 -0.05 2.02 -0.81 1.20 0.00 0.00 173.24 175.57 1n84 n PRO 288 N 1.22 0.48 -0.01 5.44 -0.04 -1.26 -3.18 135.00 137.65 1n84 n PRO 288 Ca -0.07 -0.04 0.13 0.00 -0.04 0.00 0.00 63.50 63.48 1n84 n PRO 288 Cb 0.58 -1.50 0.42 0.00 -0.04 0.00 0.00 33.50 32.96 1n84 n PRO 288 CO 0.00 0.00 0.00 0.72 -0.04 0.00 0.00 175.50 176.18 1n84 n HIS 289 N -1.23 0.03 0.00 0.54 8.25 -1.26 -5.02 115.22 116.53 1n84 n HIS 289 Ca 0.14 -0.02 0.00 0.00 -0.26 0.00 0.00 57.72 57.59 1n84 n HIS 289 Cb 0.24 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.35 1n84 n HIS 289 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1n84 n GLY 290 N 1.21 1.02 3.75 -1.41 0.00 -1.19 -4.89 105.19 103.68 1n84 n GLY 290 Ca 0.18 -1.59 -0.33 0.00 0.00 0.00 0.00 46.02 44.27 1n84 n GLY 290 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1n84 s LYS 291 N -1.64 3.02 -1.42 1.61 -0.14 -1.26 -4.02 119.74 115.88 1n84 s LYS 291 Ca 0.00 -0.47 -0.09 0.00 -1.36 0.00 0.00 55.97 54.05 1n84 s LYS 291 Cb 0.00 -2.83 0.02 0.00 -1.68 0.00 0.00 37.83 33.34 1n84 s LYS 291 CO 0.00 0.66 1.05 -0.25 -0.76 0.00 0.00 175.35 176.05 1n84 n ASP 292 N 1.45 -6.02 -4.65 2.83 8.00 -1.26 -4.97 116.55 111.93 1n84 n ASP 292 Ca -0.15 -0.54 -0.41 0.00 0.71 0.00 0.00 54.79 54.40 1n84 n ASP 292 Cb 0.53 -4.77 -0.05 0.00 -0.02 0.00 0.00 41.12 36.81 1n84 n ASP 292 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 1n84 s LEU 293 N -7.20 4.13 0.00 0.64 1.43 -1.26 -4.29 118.68 112.13 1n84 s LEU 293 Ca 0.56 0.98 0.00 0.00 -1.03 0.00 0.00 54.13 54.64 1n84 s LEU 293 Cb -0.25 -3.07 0.00 0.00 0.03 0.00 0.00 46.19 42.89 1n84 s LEU 293 CO 0.69 -0.39 0.00 0.18 0.23 0.00 0.00 176.35 177.06 1n84 n LEU 294 N 5.43 0.00 -4.16 1.79 4.77 -1.26 -4.76 117.00 118.82 1n84 n LEU 294 Ca 0.02 0.00 -0.10 0.00 -0.03 0.00 0.00 56.01 55.90 1n84 n LEU 294 Cb 0.49 0.00 -0.10 0.00 -2.33 0.00 0.00 43.42 41.48 1n84 n LEU 294 CO 0.46 0.00 -0.34 -0.36 -1.33 0.00 0.00 177.39 175.82 1n84 s PHE 295 N 0.00 0.85 0.24 -1.77 0.08 -1.26 -4.38 117.98 111.75 1n84 s PHE 295 Ca 0.00 -1.08 -0.30 0.00 0.12 0.00 0.00 56.93 55.67 1n84 s PHE 295 Cb 0.00 -0.51 -0.09 0.00 -0.57 0.00 0.00 43.02 41.85 1n84 s PHE 295 CO 0.00 -0.34 1.01 0.15 -0.10 0.00 0.00 175.22 175.94 1n84 s LYS 296 N -3.94 4.76 0.44 0.44 1.02 -1.26 -4.23 119.74 116.96 1n84 s LYS 296 Ca 0.17 1.61 0.10 0.00 0.02 0.00 0.00 55.97 57.88 1n84 s LYS 296 Cb 0.07 -3.25 0.97 0.00 -0.52 0.00 0.00 37.83 35.09 1n84 s LYS 296 CO -0.02 0.37 2.05 -0.44 -0.92 0.00 0.00 175.35 176.38 1n84 h ASP 297 N 4.17 0.26 0.73 2.83 5.19 -1.90 -2.08 116.42 125.61 1n84 h ASP 297 Ca -0.45 -0.02 0.00 0.00 -0.62 0.00 0.00 57.03 55.94 1n84 h ASP 297 Cb 1.21 -0.07 0.00 0.00 0.18 0.00 0.00 39.33 40.65 1n84 h ASP 297 CO 0.68 0.25 0.00 -1.54 -3.12 0.00 0.00 179.24 175.51 1n84 n SER 298 N -4.44 0.00 -4.79 6.45 3.41 -1.26 -4.79 113.62 108.20 1n84 n SER 298 Ca 0.00 0.45 -0.35 0.00 -0.26 0.00 0.00 58.87 58.71 1n84 n SER 298 Cb 0.12 -0.48 -0.03 0.00 -0.26 0.00 0.00 64.21 63.56 1n84 n SER 298 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1n84 s ALA 299 N -2.96 2.95 -0.44 7.33 0.00 -0.79 -4.43 121.76 123.43 1n84 s ALA 299 Ca 0.12 0.68 0.10 0.00 0.00 0.00 0.00 51.96 52.85 1n84 s ALA 299 Cb 0.14 -3.28 -0.11 0.00 0.00 0.00 0.00 23.12 19.88 1n84 s ALA 299 CO 0.40 -0.32 0.41 0.72 0.00 0.00 0.00 175.76 176.97 1n84 n HIS 300 N -0.61 0.00 -3.48 0.00 8.25 0.32 -4.90 115.22 114.80 1n84 n HIS 300 Ca 0.08 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.54 1n84 n HIS 300 Cb 0.51 -0.02 0.00 0.00 1.12 0.00 0.00 29.99 31.60 1n84 n HIS 300 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1n84 n GLY 301 N 1.29 -1.32 3.32 -1.41 0.00 -1.22 -4.61 105.19 101.25 1n84 n GLY 301 Ca 0.02 -1.01 -0.27 0.00 0.00 0.00 0.00 46.02 44.75 1n84 n GLY 301 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1n84 s PHE 302 N -3.00 2.08 -0.05 1.61 0.08 -1.26 -1.29 117.98 116.15 1n84 s PHE 302 Ca 0.00 -0.39 0.03 0.00 0.12 0.00 0.00 56.93 56.69 1n84 s PHE 302 Cb 0.00 -1.20 0.00 0.00 -0.57 0.00 0.00 43.02 41.26 1n84 s PHE 302 CO 0.00 0.18 -0.14 -0.51 -0.10 0.00 0.00 175.22 174.65 1n84 s LEU 303 N -1.54 1.82 0.30 -0.37 1.43 -0.22 -4.96 118.68 115.14 1n84 s LEU 303 Ca 0.10 -0.31 -0.29 0.00 -1.03 0.00 0.00 54.13 52.60 1n84 s LEU 303 Cb -0.10 -0.86 -0.10 0.00 0.03 0.00 0.00 46.19 45.17 1n84 s LEU 303 CO 0.03 0.10 1.17 -0.75 0.23 0.00 0.00 176.35 177.14 1n84 s LYS 304 N 0.25 4.53 0.19 1.70 2.20 -1.26 -1.15 119.74 126.20 1n84 s LYS 304 Ca -0.07 1.94 -0.22 0.00 -0.36 0.00 0.00 55.97 57.26 1n84 s LYS 304 Cb -0.12 -3.14 -0.08 0.00 -1.51 0.00 0.00 37.83 32.98 1n84 s LYS 304 CO 0.02 0.07 0.75 0.08 -0.36 0.00 0.00 175.35 175.91 1n84 s VAL 305 N -1.16 4.47 0.66 4.02 1.01 -0.60 -4.87 120.40 123.94 1n84 s VAL 305 Ca 0.46 1.49 -0.17 0.00 0.00 0.00 0.00 61.98 63.77 1n84 s VAL 305 Cb -0.35 -3.99 -0.03 0.00 0.00 0.00 0.00 36.38 32.01 1n84 s VAL 305 CO 0.45 0.37 0.86 -2.65 0.00 0.00 0.00 175.10 174.14 1n84 n PRO 306 N 1.18 0.62 -1.56 2.72 -0.02 -1.26 -4.85 135.00 131.84 1n84 n PRO 306 Ca -0.04 0.26 -0.53 0.00 -2.02 0.00 0.00 63.50 61.16 1n84 n PRO 306 Cb 0.50 -2.10 -0.06 0.00 -0.02 0.00 0.00 33.50 31.82 1n84 n PRO 306 CO 0.00 0.00 0.00 -2.30 1.98 0.00 0.00 175.50 175.18 1n84 n PRO 307 N -1.23 0.81 -1.93 0.52 -0.02 -1.26 -2.41 135.00 129.48 1n84 n PRO 307 Ca 0.13 0.29 -0.09 0.00 -2.02 0.00 0.00 63.50 61.82 1n84 n PRO 307 Cb 0.49 -1.86 -0.02 0.00 -0.02 0.00 0.00 33.50 32.09 1n84 n PRO 307 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 1n84 n ARG 308 N 2.10 -1.90 -2.20 -0.52 1.74 -1.26 -4.92 116.66 109.70 1n84 n ARG 308 Ca 0.18 0.46 -0.42 0.00 -0.77 0.00 0.00 57.85 57.30 1n84 n ARG 308 Cb 0.17 -4.84 -0.03 0.00 -1.02 0.00 0.00 32.46 26.74 1n84 n ARG 308 CO 0.00 0.00 0.00 1.41 -1.52 0.00 0.00 177.63 177.52 1n84 s MET 309 N -4.02 4.36 0.56 5.56 1.75 -1.01 -5.00 119.30 121.50 1n84 s MET 309 Ca 0.00 2.05 -0.03 0.00 -1.25 0.00 0.00 55.69 56.46 1n84 s MET 309 Cb 0.00 -3.22 0.02 0.00 2.84 0.00 0.00 34.83 34.46 1n84 s MET 309 CO 0.00 -0.33 0.83 0.16 -0.65 0.00 0.00 175.02 175.02 1n84 s ASP 310 N 0.69 5.52 0.19 1.11 -4.77 -1.26 -4.43 116.67 113.71 1n84 s ASP 310 Ca 0.60 0.44 -0.13 0.00 -3.30 0.00 0.00 52.55 50.16 1n84 s ASP 310 Cb -0.36 -1.45 0.20 0.00 -1.09 0.00 0.00 42.92 40.22 1n84 s ASP 310 CO 0.35 -1.03 1.70 0.00 0.70 0.00 0.00 175.17 176.89 1n84 h ALA 311 N -0.01 0.55 -0.54 2.11 0.00 -1.93 -1.81 119.26 117.63 1n84 h ALA 311 Ca -0.45 0.12 0.03 0.00 0.00 0.00 0.00 54.91 54.61 1n84 h ALA 311 Cb 1.27 0.18 -0.04 0.00 0.00 0.00 0.00 17.79 19.20 1n84 h ALA 311 CO 0.58 -0.34 0.31 0.87 0.00 0.00 0.00 179.25 180.68 1n84 h LYS 312 N 0.20 0.59 -0.38 0.00 1.57 -1.95 -1.29 116.57 115.31 1n84 h LYS 312 Ca 0.26 -0.04 -0.14 0.00 -1.87 0.00 0.00 60.65 58.86 1n84 h LYS 312 Cb 0.37 -0.13 -0.01 0.00 0.08 0.00 0.00 32.23 32.54 1n84 h LYS 312 CO -0.36 0.39 -0.33 1.98 -0.57 0.00 0.00 179.45 180.56 1n84 h MET 313 N 0.61 0.89 -0.04 3.15 4.05 -1.86 -1.91 114.93 119.81 1n84 h MET 313 Ca 0.22 -0.45 0.01 0.00 -0.28 0.00 0.00 59.70 59.20 1n84 h MET 313 Cb 0.06 0.01 -0.01 0.00 -0.80 0.00 0.00 31.60 30.86 1n84 h MET 313 CO -0.12 1.10 -0.02 -0.92 0.23 0.00 0.00 176.91 177.18 1n84 h TYR 314 N 0.70 -0.06 -0.07 1.39 3.20 -1.06 -2.96 116.97 118.11 1n84 h TYR 314 Ca 0.07 0.00 -0.12 0.00 3.14 0.00 0.00 58.73 61.82 1n84 h TYR 314 Cb 0.92 0.03 -0.01 0.00 1.54 0.00 0.00 36.73 39.20 1n84 h TYR 314 CO 0.06 -0.04 -0.48 -0.07 -1.64 0.00 0.00 178.16 175.99 1n84 h LEU 315 N -0.03 0.19 0.00 2.82 3.38 -1.25 -3.50 115.31 116.92 1n84 h LEU 315 Ca 0.03 -0.09 0.00 0.00 0.09 0.00 0.00 57.88 57.91 1n84 h LEU 315 Cb 0.06 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 40.76 1n84 h LEU 315 CO -0.06 0.64 0.00 0.61 0.09 0.00 0.00 178.44 179.73 1n84 n GLY 316 N -0.05 1.93 0.17 0.83 0.00 -0.72 -4.47 105.19 102.88 1n84 n GLY 316 Ca -0.02 -1.73 -0.09 0.00 0.00 0.00 0.00 46.02 44.18 1n84 n GLY 316 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 1n84 h TYR 317 N 0.00 0.51 0.03 1.61 3.20 -1.88 -1.17 116.97 119.27 1n84 h TYR 317 Ca 0.00 -0.02 0.00 0.00 3.14 0.00 0.00 58.73 61.85 1n84 h TYR 317 Cb 0.00 -0.16 -0.01 0.00 1.54 0.00 0.00 36.73 38.10 1n84 h TYR 317 CO 0.00 0.42 -0.11 1.49 -1.64 0.00 0.00 178.16 178.33 1n84 h GLU 318 N 0.46 -0.15 -0.62 1.82 4.81 -1.97 0.73 114.58 119.66 1n84 h GLU 318 Ca 0.13 0.01 0.11 0.00 -0.13 0.00 0.00 59.36 59.48 1n84 h GLU 318 Cb 0.09 0.03 -0.08 0.00 0.63 0.00 0.00 28.75 29.43 1n84 h GLU 318 CO -0.02 -0.10 0.19 -0.92 -0.73 0.00 0.00 179.01 177.43 1n84 h TYR 319 N -0.15 0.31 0.00 0.92 3.20 -1.78 0.24 116.97 119.71 1n84 h TYR 319 Ca -0.00 0.03 -0.03 0.00 3.14 0.00 0.00 58.73 61.87 1n84 h TYR 319 Cb 0.16 -0.04 -0.00 0.00 1.54 0.00 0.00 36.73 38.38 1n84 h TYR 319 CO -0.32 0.03 -0.13 0.28 -1.64 0.00 0.00 178.16 176.37 1n84 h VAL 320 N 0.34 0.87 0.73 1.81 2.07 -0.94 -2.64 116.25 118.48 1n84 h VAL 320 Ca 0.32 -0.50 -0.04 0.00 0.82 0.00 0.00 66.70 67.31 1n84 h VAL 320 Cb 0.46 1.29 0.01 0.00 -1.52 0.00 0.00 31.29 31.52 1n84 h VAL 320 CO -0.37 0.13 -0.35 0.74 0.02 0.00 0.00 177.57 177.74 1n84 h THR 321 N 0.00 0.08 -0.89 2.57 2.02 0.39 -2.94 112.91 114.14 1n84 h THR 321 Ca -0.00 -0.25 0.24 0.00 0.77 0.00 0.00 66.41 67.17 1n84 h THR 321 Cb 0.28 0.10 -0.14 0.00 -1.74 0.00 0.00 68.15 66.65 1n84 h THR 321 CO 0.02 0.01 0.25 0.00 0.37 0.00 0.00 175.52 176.17 1n84 h ALA 322 N -1.15 1.32 -0.59 6.16 0.00 -1.02 0.48 119.26 124.47 1n84 h ALA 322 Ca -0.10 0.23 -0.06 0.00 0.00 0.00 0.00 54.91 54.98 1n84 h ALA 322 Cb 0.77 0.32 -0.02 0.00 0.00 0.00 0.00 17.79 18.85 1n84 h ALA 322 CO 0.16 -0.48 0.13 0.82 0.00 0.00 0.00 179.25 179.89 1n84 h ILE 323 N 0.21 1.25 0.34 0.00 2.04 -1.51 -1.65 117.51 118.19 1n84 h ILE 323 Ca 0.57 -0.92 -0.02 0.00 1.00 0.00 0.00 64.86 65.49 1n84 h ILE 323 Cb 1.16 0.72 0.00 0.00 -0.74 0.00 0.00 36.82 37.96 1n84 h ILE 323 CO -0.66 0.34 -0.16 0.03 0.00 0.00 0.00 178.15 177.70 1n84 h ARG 324 N 0.86 -0.44 0.00 2.37 3.08 -0.90 -2.28 114.38 117.07 1n84 h ARG 324 Ca 0.18 0.03 0.00 0.00 0.07 0.00 0.00 59.98 60.26 1n84 h ARG 324 Cb 0.37 0.10 0.00 0.00 0.08 0.00 0.00 29.97 30.52 1n84 h ARG 324 CO 0.00 -0.18 0.28 -0.91 -1.07 0.00 0.00 179.97 178.10 1n84 h ASN 325 N -0.65 0.00 0.16 7.04 -0.26 -0.83 0.10 115.58 121.14 1n84 h ASN 325 Ca -0.05 0.00 -0.34 0.00 -0.56 0.00 0.00 56.30 55.35 1n84 h ASN 325 Cb 0.46 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.72 1n84 h ASN 325 CO 0.08 0.00 -1.74 0.25 -1.06 0.00 0.00 177.43 174.96 1n84 h LEU 326 N 0.00 0.52 0.00 1.61 5.85 -0.87 0.23 115.31 122.65 1n84 h LEU 326 Ca 0.00 -0.92 0.00 0.00 0.84 0.00 0.00 57.88 57.80 1n84 h LEU 326 Cb 0.56 -0.17 0.00 0.00 0.37 0.00 0.00 40.66 41.42 1n84 h LEU 326 CO 0.00 1.77 -0.06 0.03 -0.34 0.00 0.00 178.44 179.85 1n84 h ARG 327 N -0.00 0.00 0.00 1.25 3.08 -0.36 -3.38 114.38 114.97 1n84 h ARG 327 Ca -0.36 0.00 -0.07 0.00 0.07 0.00 0.00 59.98 59.62 1n84 h ARG 327 Cb 2.01 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 32.04 1n84 h ARG 327 CO 0.13 0.00 -0.97 0.39 -1.07 0.00 0.00 179.97 178.44 1n84 n GLU 328 N -2.67 0.14 -0.19 0.04 1.02 0.11 -5.05 120.64 114.03 1n84 n GLU 328 Ca 0.05 0.06 0.00 0.00 -0.02 0.00 0.00 57.16 57.24 1n84 n GLU 328 Cb 0.48 -0.73 0.00 0.00 -0.02 0.00 0.00 31.44 31.17 1n84 n GLU 328 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1n84 n GLY 329 N 2.73 0.00 3.09 0.62 0.00 0.80 -5.03 105.19 107.40 1n84 n GLY 329 Ca -0.10 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.81 1n84 n GLY 329 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1n84 s THR 330 N -0.34 0.50 0.00 2.61 2.01 -1.26 -5.02 115.64 114.13 1n84 s THR 330 Ca 0.00 -1.39 0.00 0.00 0.31 0.00 0.00 61.69 60.61 1n84 s THR 330 Cb 0.00 -0.98 0.00 0.00 0.01 0.00 0.00 72.50 71.53 1n84 s THR 330 CO 0.00 -0.61 0.14 0.00 -0.69 0.00 0.00 174.62 173.46