#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i83 s ILE 3 N 0.00 0.58 -0.34 -1.44 -1.09 -0.55 -2.84 121.20 115.52 3i83 s ILE 3 Ca 0.00 -0.10 -0.11 0.00 -2.23 0.00 0.00 60.65 58.22 3i83 s ILE 3 Cb 0.00 -0.63 0.01 0.00 -1.58 0.00 0.00 42.46 40.26 3i83 s ILE 3 CO 0.00 0.26 0.18 -0.22 -1.23 0.00 0.00 174.94 173.93 3i83 s LEU 4 N 1.24 4.43 -0.00 2.97 2.96 0.12 -0.92 118.68 129.47 3i83 s LEU 4 Ca -0.06 -0.74 -0.18 0.00 -0.22 0.00 0.00 54.13 52.94 3i83 s LEU 4 Cb -0.14 -2.02 -0.06 0.00 0.50 0.00 0.00 46.19 44.47 3i83 s LEU 4 CO -0.02 -0.29 0.50 -0.69 -1.32 0.00 0.00 176.35 174.53 3i83 s VAL 5 N 1.59 4.95 -0.38 1.68 1.01 0.30 0.13 120.40 129.69 3i83 s VAL 5 Ca 0.04 1.04 -0.13 0.00 0.00 0.00 0.00 61.98 62.93 3i83 s VAL 5 Cb -0.18 -3.82 0.02 0.00 0.00 0.00 0.00 36.38 32.39 3i83 s VAL 5 CO 0.07 0.50 0.25 -0.63 0.00 0.00 0.00 175.10 175.28 3i83 s ILE 6 N -0.61 4.97 0.00 2.22 -1.09 -0.54 -0.04 121.20 126.10 3i83 s ILE 6 Ca 0.27 -0.65 0.00 0.00 -2.23 0.00 0.00 60.65 58.04 3i83 s ILE 6 Cb -0.17 -3.72 0.00 0.00 -1.58 0.00 0.00 42.46 36.98 3i83 s ILE 6 CO 0.15 -0.21 0.00 0.61 -1.23 0.00 0.00 174.94 174.26 3i83 n GLY 7 N 5.08 -1.75 1.35 6.18 0.00 0.19 -4.43 105.19 111.81 3i83 n GLY 7 Ca -0.12 -1.54 -0.03 0.00 0.00 0.00 0.00 46.02 44.34 3i83 n GLY 7 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3i83 n THR 8 N -1.67 1.85 -1.67 2.61 -2.24 -1.26 -4.62 114.28 107.28 3i83 n THR 8 Ca 0.00 -3.12 -0.29 0.00 -2.27 0.00 0.00 64.05 58.37 3i83 n THR 8 Cb 0.00 -0.14 0.17 0.00 -2.10 0.00 0.00 70.33 68.26 3i83 n THR 8 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 3i83 s GLY 9 N -3.19 1.66 0.40 3.38 0.00 -1.26 -4.73 107.32 103.58 3i83 s GLY 9 Ca 0.40 -0.91 0.07 0.00 0.00 0.00 0.00 44.72 44.28 3i83 s GLY 9 CO -0.05 -0.21 2.03 0.00 0.00 0.00 0.00 173.10 174.87 3i83 h ALA 10 N -1.71 1.73 0.01 3.20 0.00 -1.94 0.49 119.26 121.04 3i83 h ALA 10 Ca -0.46 -0.03 -0.00 0.00 0.00 0.00 0.00 54.91 54.42 3i83 h ALA 10 Cb 1.28 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.90 3i83 h ALA 10 CO 0.47 0.22 -0.00 0.82 0.00 0.00 0.00 179.25 180.76 3i83 h ILE 11 N 0.59 0.97 -0.96 0.00 1.08 -1.91 -1.94 117.51 115.35 3i83 h ILE 11 Ca 0.20 -1.70 0.10 0.00 -0.39 0.00 0.00 64.86 63.07 3i83 h ILE 11 Cb 0.05 1.81 -0.08 0.00 -3.07 0.00 0.00 36.82 35.54 3i83 h ILE 11 CO -0.05 0.32 0.60 1.23 -0.69 0.00 0.00 178.15 179.56 3i83 h GLY 12 N -0.99 1.52 1.47 5.37 0.00 -1.77 -1.56 103.07 107.12 3i83 h GLY 12 Ca -0.00 -0.41 -0.22 0.00 0.00 0.00 0.00 47.33 46.70 3i83 h GLY 12 CO 0.00 0.20 -0.86 1.76 0.00 0.00 0.00 176.54 177.65 3i83 h SER 13 N 0.99 0.61 -0.01 0.19 0.02 -1.02 -0.90 113.55 113.44 3i83 h SER 13 Ca 0.45 -0.45 -0.00 0.00 -0.84 0.00 0.00 61.79 60.95 3i83 h SER 13 Cb 0.37 -0.18 -0.00 0.00 0.14 0.00 0.00 62.40 62.72 3i83 h SER 13 CO -0.24 1.23 -0.00 0.15 -1.14 0.00 0.00 176.83 176.83 3i83 h PHE 14 N 0.31 0.02 -0.11 3.45 3.57 -0.76 -1.12 116.94 122.30 3i83 h PHE 14 Ca -0.06 -0.00 -0.17 0.00 3.53 0.00 0.00 57.97 61.26 3i83 h PHE 14 Cb 1.47 -0.00 -0.01 0.00 2.79 0.00 0.00 35.95 40.20 3i83 h PHE 14 CO 0.06 0.42 -0.65 1.88 -2.23 0.00 0.00 178.31 177.80 3i83 h TYR 15 N -0.39 0.53 -0.05 0.41 0.05 -1.39 -2.56 116.97 113.56 3i83 h TYR 15 Ca 0.00 -0.21 0.01 0.00 0.05 0.00 0.00 58.73 58.58 3i83 h TYR 15 Cb 0.41 -0.09 -0.01 0.00 1.01 0.00 0.00 36.73 38.05 3i83 h TYR 15 CO 0.07 0.94 -0.03 0.78 -1.05 0.00 0.00 178.16 178.86 3i83 h GLY 16 N 1.27 0.02 1.79 3.88 0.00 -1.18 -2.65 103.07 106.20 3i83 h GLY 16 Ca -0.01 0.03 -0.04 0.00 0.00 0.00 0.00 47.33 47.31 3i83 h GLY 16 CO 0.11 -0.04 -0.06 0.00 0.00 0.00 0.00 176.54 176.56 3i83 h ALA 17 N 1.02 1.58 -0.59 3.60 0.00 -1.17 -0.67 119.26 123.03 3i83 h ALA 17 Ca 0.03 -0.16 -0.05 0.00 0.00 0.00 0.00 54.91 54.73 3i83 h ALA 17 Cb 0.07 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.75 3i83 h ALA 17 CO -0.07 0.31 0.15 -0.07 0.00 0.00 0.00 179.25 179.57 3i83 h LEU 18 N 0.26 0.88 -0.90 0.00 3.38 -1.29 -1.54 115.31 116.10 3i83 h LEU 18 Ca 0.06 -0.23 -0.12 0.00 0.09 0.00 0.00 57.88 57.69 3i83 h LEU 18 Cb 0.27 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 40.77 3i83 h LEU 18 CO 0.01 0.88 -0.54 -0.07 0.09 0.00 0.00 178.44 178.82 3i83 h LEU 19 N 0.85 0.04 -0.69 1.67 3.38 -1.08 -3.05 115.31 116.43 3i83 h LEU 19 Ca 0.19 -0.02 -0.06 0.00 0.09 0.00 0.00 57.88 58.08 3i83 h LEU 19 Cb 0.33 -0.01 -0.03 0.00 0.09 0.00 0.00 40.66 41.04 3i83 h LEU 19 CO -0.00 0.57 0.21 0.00 0.09 0.00 0.00 178.44 179.30 3i83 h ALA 20 N 1.43 0.91 0.15 1.53 0.00 -0.93 -2.37 119.26 119.97 3i83 h ALA 20 Ca -0.00 -0.22 -0.00 0.00 0.00 0.00 0.00 54.91 54.68 3i83 h ALA 20 Cb 0.96 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 18.47 3i83 h ALA 20 CO 0.07 0.59 -0.23 0.87 0.00 0.00 0.00 179.25 180.56 3i83 h LYS 21 N 1.02 -0.38 -1.01 0.00 1.57 -1.17 -3.02 116.57 113.59 3i83 h LYS 21 Ca 0.22 0.03 0.22 0.00 -1.87 0.00 0.00 60.65 59.25 3i83 h LYS 21 Cb 0.32 0.09 -0.11 0.00 0.08 0.00 0.00 32.23 32.60 3i83 h LYS 21 CO -0.01 -0.25 0.61 1.79 -0.57 0.00 0.00 179.45 181.02 3i83 h THR 22 N -0.39 0.61 0.00 -0.16 1.35 -1.65 -3.44 112.91 109.22 3i83 h THR 22 Ca -0.02 -0.22 0.00 0.00 -0.55 0.00 0.00 66.41 65.62 3i83 h THR 22 Cb 0.36 -0.09 0.00 0.00 -1.73 0.00 0.00 68.15 66.69 3i83 h THR 22 CO -0.07 0.12 0.00 0.61 -0.25 0.00 0.00 175.52 175.93 3i83 n GLY 23 N -1.33 0.35 3.71 5.82 0.00 -1.14 -5.14 105.19 107.45 3i83 n GLY 23 Ca 0.25 -0.32 -0.23 0.00 0.00 0.00 0.00 46.02 45.72 3i83 n GLY 23 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3i83 s HIS 24 N 0.00 2.80 -0.84 1.61 3.76 -0.90 -5.04 115.29 116.68 3i83 s HIS 24 Ca 0.00 -0.22 -0.15 0.00 -0.15 0.00 0.00 55.06 54.53 3i83 s HIS 24 Cb 0.00 -1.33 0.19 0.00 1.11 0.00 0.00 32.58 32.55 3i83 s HIS 24 CO 0.00 0.54 0.84 0.00 -0.85 0.00 0.00 174.74 175.27 3i83 s VAL 26 N 0.84 3.95 0.34 0.00 1.01 -1.26 -1.48 120.40 123.81 3i83 s VAL 26 Ca 0.21 -0.43 0.07 0.00 0.00 0.00 0.00 61.98 61.83 3i83 s VAL 26 Cb -0.10 -2.90 -0.02 0.00 0.00 0.00 0.00 36.38 33.36 3i83 s VAL 26 CO -0.08 0.27 0.35 -0.44 0.00 0.00 0.00 175.10 175.21 3i83 s SER 27 N 1.54 5.46 -0.03 3.32 0.01 -0.10 -1.12 113.70 122.78 3i83 s SER 27 Ca 0.05 -0.43 0.03 0.00 1.31 0.00 0.00 55.95 56.91 3i83 s SER 27 Cb -0.16 -1.00 0.00 0.00 0.21 0.00 0.00 66.02 65.08 3i83 s SER 27 CO 0.01 -0.41 -0.13 -0.69 0.41 0.00 0.00 173.24 172.43 3i83 s VAL 28 N -2.29 1.09 -0.38 3.43 1.01 -0.87 -0.53 120.40 121.86 3i83 s VAL 28 Ca 0.43 -0.52 -0.15 0.00 0.00 0.00 0.00 61.98 61.73 3i83 s VAL 28 Cb -0.07 -0.95 0.00 0.00 0.00 0.00 0.00 36.38 35.37 3i83 s VAL 28 CO 0.28 0.32 0.35 -0.69 0.00 0.00 0.00 175.10 175.36 3i83 s VAL 29 N 0.14 5.19 0.12 2.92 1.01 0.94 -2.88 120.40 127.84 3i83 s VAL 29 Ca -0.04 -0.30 0.10 0.00 0.00 0.00 0.00 61.98 61.75 3i83 s VAL 29 Cb -0.10 -3.89 -0.04 0.00 0.00 0.00 0.00 36.38 32.35 3i83 s VAL 29 CO 0.01 -0.23 -0.25 -0.94 0.00 0.00 0.00 175.10 173.69 3i83 s SER 30 N 1.74 3.12 0.00 3.32 1.04 -1.15 0.54 113.70 122.31 3i83 s SER 30 Ca 0.09 -0.73 -0.00 0.00 0.48 0.00 0.00 55.95 55.79 3i83 s SER 30 Cb -0.17 -0.20 -0.00 0.00 0.10 0.00 0.00 66.02 65.74 3i83 s SER 30 CO 0.12 0.15 -0.00 0.54 0.98 0.00 0.00 173.24 175.02 3i83 n ARG 31 N 0.97 0.00 0.10 4.02 1.74 -1.26 -4.59 116.66 117.64 3i83 n ARG 31 Ca -0.18 0.00 -0.02 0.00 -0.77 0.00 0.00 57.85 56.88 3i83 n ARG 31 Cb 0.53 -0.09 0.22 0.00 -1.02 0.00 0.00 32.46 32.09 3i83 n ARG 31 CO 0.00 0.00 0.00 0.77 -1.52 0.00 0.00 177.63 176.88 3i83 h SER 32 N -0.01 0.24 -0.16 0.55 0.02 -2.03 -3.19 113.55 108.97 3i83 h SER 32 Ca 0.00 -0.10 -0.02 0.00 -0.84 0.00 0.00 61.79 60.83 3i83 h SER 32 Cb 0.01 -0.07 -0.01 0.00 0.14 0.00 0.00 62.40 62.47 3i83 h SER 32 CO 0.00 0.65 -0.03 0.47 -1.14 0.00 0.00 176.83 176.78 3i83 n ASP 33 N -4.01 3.08 -0.05 3.07 8.00 -1.26 -4.81 116.55 120.57 3i83 n ASP 33 Ca -0.02 -3.17 -0.08 0.00 0.71 0.00 0.00 54.79 52.24 3i83 n ASP 33 Cb 0.49 -0.51 -0.02 0.00 -0.02 0.00 0.00 41.12 41.06 3i83 n ASP 33 CO 0.00 0.00 0.00 0.22 -0.39 0.00 0.00 177.20 177.03 3i83 h TYR 34 N 1.02 -0.20 -0.46 1.24 3.20 -1.80 -2.18 116.97 117.80 3i83 h TYR 34 Ca 0.02 0.02 -0.03 0.00 3.14 0.00 0.00 58.73 61.89 3i83 h TYR 34 Cb 1.29 0.12 -0.02 0.00 1.54 0.00 0.00 36.73 39.66 3i83 h TYR 34 CO 0.38 -0.14 0.17 0.93 -1.64 0.00 0.00 178.16 177.87 3i83 h GLU 35 N -0.05 0.70 -0.01 1.82 3.07 -1.87 -2.63 114.58 115.61 3i83 h GLU 35 Ca 0.12 -0.13 -0.14 0.00 -0.50 0.00 0.00 59.36 58.70 3i83 h GLU 35 Cb 0.22 -0.11 -0.02 0.00 -0.84 0.00 0.00 28.75 28.01 3i83 h GLU 35 CO -0.26 0.64 -0.67 0.00 -1.40 0.00 0.00 179.01 177.32 3i83 h THR 36 N 0.60 1.47 0.07 1.13 1.03 -1.86 -3.25 112.91 112.11 3i83 h THR 36 Ca 0.15 -2.26 -0.30 0.00 -0.01 0.00 0.00 66.41 63.99 3i83 h THR 36 Cb 0.21 2.21 -0.02 0.00 -1.07 0.00 0.00 68.15 69.48 3i83 h THR 36 CO -0.01 0.65 -1.62 0.58 -0.01 0.00 0.00 175.52 175.11 3i83 h VAL 37 N 0.03 1.02 0.00 0.00 2.07 -1.41 -1.43 116.25 116.54 3i83 h VAL 37 Ca -0.01 -2.74 -0.00 0.00 0.82 0.00 0.00 66.70 64.76 3i83 h VAL 37 Cb 1.19 2.62 -0.00 0.00 -1.52 0.00 0.00 31.29 33.58 3i83 h VAL 37 CO 0.09 0.75 -0.02 0.50 0.02 0.00 0.00 177.57 178.91 3i83 h LYS 38 N 0.04 0.00 0.00 1.57 3.64 -1.54 -2.48 116.57 117.79 3i83 h LYS 38 Ca -0.27 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.11 3i83 h LYS 38 Cb 2.00 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.82 3i83 h LYS 38 CO 0.12 0.02 0.00 0.00 -2.27 0.00 0.00 179.45 177.32 3i83 n ALA 39 N -2.48 0.00 0.29 5.00 0.00 -1.22 -4.82 120.51 117.27 3i83 n ALA 39 Ca -0.03 0.00 0.18 0.00 0.00 0.00 0.00 53.44 53.59 3i83 n ALA 39 Cb 0.11 0.00 0.88 0.00 0.00 0.00 0.00 19.45 20.44 3i83 n ALA 39 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 3i83 h LYS 40 N 0.00 0.00 0.00 0.00 6.56 -1.39 -3.48 116.57 118.26 3i83 h LYS 40 Ca 0.00 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.59 3i83 h LYS 40 Cb 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 31.66 3i83 h LYS 40 CO 0.00 0.00 0.00 0.41 -2.06 0.00 0.00 179.45 177.80 3i83 n GLY 41 N -0.79 -1.45 3.23 3.86 0.00 -0.93 -4.85 105.19 104.25 3i83 n GLY 41 Ca -0.01 -1.30 -0.32 0.00 0.00 0.00 0.00 46.02 44.39 3i83 n GLY 41 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3i83 s ILE 42 N 0.00 2.13 -0.38 -0.61 1.01 0.60 -4.54 121.20 119.41 3i83 s ILE 42 Ca 0.00 -0.99 -0.14 0.00 0.00 0.00 0.00 60.65 59.52 3i83 s ILE 42 Cb 0.00 -1.82 0.00 0.00 0.01 0.00 0.00 42.46 40.65 3i83 s ILE 42 CO 0.00 0.56 0.27 0.00 0.00 0.00 0.00 174.94 175.77 3i83 s ARG 43 N 0.39 3.21 -0.33 2.79 1.04 0.21 0.97 118.95 127.24 3i83 s ARG 43 Ca -0.17 -0.84 -0.18 0.00 -1.04 0.00 0.00 55.73 53.50 3i83 s ARG 43 Cb -0.18 -3.89 -0.01 0.00 -2.04 0.00 0.00 34.95 28.83 3i83 s ARG 43 CO 0.08 -0.60 0.49 0.42 -0.04 0.00 0.00 175.30 175.64 3i83 s ILE 44 N 1.70 5.05 -0.16 4.99 -1.09 0.10 -1.72 121.20 130.07 3i83 s ILE 44 Ca 0.05 0.40 -0.04 0.00 -2.23 0.00 0.00 60.65 58.83 3i83 s ILE 44 Cb -0.18 -3.92 -0.03 0.00 -1.58 0.00 0.00 42.46 36.75 3i83 s ILE 44 CO 0.10 -0.14 -0.01 -0.60 -1.23 0.00 0.00 174.94 173.06 3i83 s ARG 45 N 2.33 3.70 -0.24 2.79 3.52 -0.70 -1.08 118.95 129.27 3i83 s ARG 45 Ca 0.18 -0.47 -0.13 0.00 -0.13 0.00 0.00 55.73 55.18 3i83 s ARG 45 Cb -0.16 -2.98 0.08 0.00 -1.56 0.00 0.00 34.95 30.33 3i83 s ARG 45 CO 0.12 0.28 0.58 0.45 -0.81 0.00 0.00 175.30 175.93 3i83 s SER 46 N 0.28 -0.79 0.10 -2.12 0.15 -1.18 -1.92 113.70 108.23 3i83 s SER 46 Ca -0.01 1.29 0.18 0.00 0.70 0.00 0.00 55.95 58.10 3i83 s SER 46 Cb -0.14 1.21 -0.10 0.00 -1.71 0.00 0.00 66.02 65.29 3i83 s SER 46 CO 0.02 -0.22 0.90 0.00 1.20 0.00 0.00 173.24 175.14 3i83 h ALA 47 N 7.13 0.62 0.16 5.45 0.00 -1.85 -0.71 119.26 130.06 3i83 h ALA 47 Ca -0.31 -0.64 -0.31 0.00 0.00 0.00 0.00 54.91 53.65 3i83 h ALA 47 Cb 1.20 0.20 0.01 0.00 0.00 0.00 0.00 17.79 19.21 3i83 h ALA 47 CO 0.20 0.70 -1.44 1.79 0.00 0.00 0.00 179.25 180.50 3i83 h THR 48 N 0.00 1.28 0.00 0.00 1.35 -1.88 -3.42 112.91 110.24 3i83 h THR 48 Ca -0.12 -2.84 0.00 0.00 -0.55 0.00 0.00 66.41 62.90 3i83 h THR 48 Cb 1.44 2.89 0.00 0.00 -1.73 0.00 0.00 68.15 70.75 3i83 h THR 48 CO 0.04 0.85 0.00 0.18 -0.25 0.00 0.00 175.52 176.33 3i83 n LEU 49 N -3.55 0.19 0.00 3.87 4.77 -1.26 -5.15 117.00 115.87 3i83 n LEU 49 Ca -0.14 0.04 0.00 0.00 -0.03 0.00 0.00 56.01 55.88 3i83 n LEU 49 Cb 1.05 -0.29 0.00 0.00 -2.33 0.00 0.00 43.42 41.86 3i83 n LEU 49 CO 0.54 -0.29 0.00 0.61 -1.33 0.00 0.00 177.39 176.92 3i83 n GLY 50 N 1.97 1.76 3.80 -0.72 0.00 -0.27 -5.05 105.19 106.69 3i83 n GLY 50 Ca 0.00 -1.09 -0.38 0.00 0.00 0.00 0.00 46.02 44.55 3i83 n GLY 50 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3i83 s ASP 51 N 0.00 7.15 0.02 1.61 1.01 -1.24 -3.08 116.67 122.14 3i83 s ASP 51 Ca 0.00 1.43 -0.22 0.00 0.71 0.00 0.00 52.55 54.47 3i83 s ASP 51 Cb 0.00 -2.42 0.05 0.00 1.01 0.00 0.00 42.92 41.56 3i83 s ASP 51 CO 0.00 0.15 0.50 -0.47 0.21 0.00 0.00 175.17 175.56 3i83 s TYR 52 N -1.30 -0.40 -0.06 4.23 5.04 -0.24 -5.00 117.35 119.62 3i83 s TYR 52 Ca 0.37 0.50 0.05 0.00 -2.44 0.00 0.00 57.07 55.56 3i83 s TYR 52 Cb -0.19 0.29 -0.01 0.00 0.35 0.00 0.00 41.96 42.40 3i83 s TYR 52 CO 0.22 -0.59 -0.23 0.99 -1.34 0.00 0.00 175.55 174.61 3i83 s THR 53 N -2.09 1.87 -0.33 4.34 2.01 -1.26 -0.72 115.64 119.47 3i83 s THR 53 Ca -0.07 -0.95 -0.05 0.00 0.31 0.00 0.00 61.69 60.92 3i83 s THR 53 Cb -0.01 -1.59 0.04 0.00 0.01 0.00 0.00 72.50 70.95 3i83 s THR 53 CO 0.01 0.52 0.07 0.12 -0.69 0.00 0.00 174.62 174.65 3i83 s PHE 54 N -0.04 3.25 -0.34 4.92 5.36 0.27 -4.97 117.98 126.44 3i83 s PHE 54 Ca -0.06 -1.52 -0.01 0.00 -0.96 0.00 0.00 56.93 54.38 3i83 s PHE 54 Cb -0.14 -2.23 0.08 0.00 -0.34 0.00 0.00 43.02 40.39 3i83 s PHE 54 CO 0.04 -0.74 0.07 1.03 -1.46 0.00 0.00 175.22 174.15 3i83 s ARG 55 N 1.37 2.16 0.83 10.12 0.52 -1.26 -0.29 118.95 132.39 3i83 s ARG 55 Ca -0.02 -1.53 -0.10 0.00 -0.52 0.00 0.00 55.73 53.56 3i83 s ARG 55 Cb -0.19 -3.30 0.10 0.00 0.52 0.00 0.00 34.95 32.07 3i83 s ARG 55 CO 0.02 -0.80 1.11 -2.14 0.02 0.00 0.00 175.30 173.51 3i83 s PRO 56 N 1.16 1.71 0.49 3.54 0.02 -1.26 -4.93 135.00 135.73 3i83 s PRO 56 Ca 0.01 1.32 0.25 0.00 0.02 0.00 0.00 61.00 62.60 3i83 s PRO 56 Cb -0.21 -1.82 1.28 0.00 0.02 0.00 0.00 34.50 33.77 3i83 s PRO 56 CO -0.03 -2.07 2.01 0.00 -0.33 0.00 0.00 177.00 176.58 3i83 h ALA 57 N -1.45 1.28 -2.33 -1.55 0.00 -1.48 -3.46 119.26 110.27 3i83 h ALA 57 Ca -0.43 -0.15 0.12 0.00 0.00 0.00 0.00 54.91 54.45 3i83 h ALA 57 Cb 1.25 -0.03 -0.13 0.00 0.00 0.00 0.00 17.79 18.88 3i83 h ALA 57 CO 0.47 0.20 0.48 0.00 0.00 0.00 0.00 179.25 180.40 3i83 s ALA 58 N -4.14 -1.77 -0.29 0.00 0.00 -1.26 -4.99 121.76 109.30 3i83 s ALA 58 Ca -0.02 0.78 -0.01 0.00 0.00 0.00 0.00 51.96 52.71 3i83 s ALA 58 Cb 0.13 0.49 0.09 0.00 0.00 0.00 0.00 23.12 23.83 3i83 s ALA 58 CO 0.61 -0.78 0.07 0.08 0.00 0.00 0.00 175.76 175.75 3i83 s VAL 59 N -3.19 0.99 0.40 0.00 1.01 -1.26 -2.04 120.40 116.32 3i83 s VAL 59 Ca 0.06 -1.34 0.08 0.00 0.00 0.00 0.00 61.98 60.78 3i83 s VAL 59 Cb -0.01 -1.67 -0.04 0.00 0.00 0.00 0.00 36.38 34.66 3i83 s VAL 59 CO -0.07 -0.56 0.27 0.68 0.00 0.00 0.00 175.10 175.43 3i83 s VAL 60 N 1.58 2.61 -0.58 2.92 -7.23 -1.14 -4.98 120.40 113.58 3i83 s VAL 60 Ca 0.07 -1.52 0.07 0.00 -1.81 0.00 0.00 61.98 58.80 3i83 s VAL 60 Cb -0.17 -3.01 0.44 0.00 0.56 0.00 0.00 36.38 34.20 3i83 s VAL 60 CO -0.20 -0.03 1.19 -2.11 -0.31 0.00 0.00 175.10 173.64 3i83 n ARG 61 N -1.38 3.06 0.00 4.82 0.00 -1.26 -2.95 116.66 118.95 3i83 n ARG 61 Ca 0.01 -1.70 0.00 0.00 -0.00 0.00 0.00 57.85 56.16 3i83 n ARG 61 Cb 0.63 -1.91 0.00 0.00 -0.00 0.00 0.00 32.46 31.18 3i83 n ARG 61 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.63 177.23 3i83 n ASP 71 N 0.31 0.00 -3.93 2.89 5.68 -1.24 -4.96 116.55 115.29 3i83 n ASP 71 Ca 0.16 0.00 -0.21 0.00 -0.50 0.00 0.00 54.79 54.23 3i83 n ASP 71 Cb 0.78 0.00 -0.16 0.00 -1.14 0.00 0.00 41.12 40.59 3i83 n ASP 71 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 3i83 s THR 73 N 0.83 3.03 -0.45 0.00 2.01 -0.71 -0.71 115.64 119.66 3i83 s THR 73 Ca -0.12 -0.96 -0.22 0.00 0.31 0.00 0.00 61.69 60.70 3i83 s THR 73 Cb -0.15 -2.54 0.03 0.00 0.01 0.00 0.00 72.50 69.85 3i83 s THR 73 CO 0.01 0.19 0.71 -0.76 -0.69 0.00 0.00 174.62 174.09 3i83 s LEU 74 N 1.35 4.39 -0.23 4.42 1.02 0.12 -0.81 118.68 128.94 3i83 s LEU 74 Ca 0.01 -0.25 -0.07 0.00 0.02 0.00 0.00 54.13 53.84 3i83 s LEU 74 Cb -0.17 -2.83 -0.03 0.00 0.02 0.00 0.00 46.19 43.18 3i83 s LEU 74 CO -0.04 -0.85 0.05 -0.22 0.02 0.00 0.00 176.35 175.31 3i83 s LEU 75 N 3.05 3.42 -0.02 1.79 2.96 0.19 -1.47 118.68 128.60 3i83 s LEU 75 Ca 0.26 -0.18 0.03 0.00 -0.22 0.00 0.00 54.13 54.02 3i83 s LEU 75 Cb -0.13 -1.90 0.05 0.00 0.50 0.00 0.00 46.19 44.70 3i83 s LEU 75 CO 0.21 0.01 0.89 0.00 -1.32 0.00 0.00 176.35 176.13 3i83 n ASP 84 N -0.29 0.00 0.12 0.00 2.03 -1.26 -4.59 116.55 112.56 3i83 n ASP 84 Ca 0.03 0.00 -0.07 0.00 0.52 0.00 0.00 54.79 55.27 3i83 n ASP 84 Cb 0.59 0.00 -0.04 0.00 -0.72 0.00 0.00 41.12 40.96 3i83 n ASP 84 CO 0.00 0.00 0.00 0.03 -1.92 0.00 0.00 177.20 175.31 3i83 h ARG 85 N 1.23 -0.37 -0.75 -0.67 3.08 -2.04 -1.26 114.38 113.60 3i83 h ARG 85 Ca 0.00 0.03 0.12 0.00 0.07 0.00 0.00 59.98 60.19 3i83 h ARG 85 Cb 0.00 0.08 -0.13 0.00 0.08 0.00 0.00 29.97 30.01 3i83 h ARG 85 CO 0.00 -0.19 -0.39 0.28 -1.07 0.00 0.00 179.97 178.60 3i83 h VAL 86 N -1.08 0.09 0.00 2.04 2.07 -1.98 -1.63 116.25 115.76 3i83 h VAL 86 Ca -0.04 0.00 -0.06 0.00 0.82 0.00 0.00 66.70 67.42 3i83 h VAL 86 Cb 0.35 0.09 -0.01 0.00 -1.52 0.00 0.00 31.29 30.20 3i83 h VAL 86 CO 0.06 0.00 -0.30 1.23 0.02 0.00 0.00 177.57 178.58 3i83 h GLY 87 N -0.11 0.00 2.00 2.17 0.00 -1.99 -2.63 103.07 102.51 3i83 h GLY 87 Ca 0.26 0.00 -0.05 0.00 0.00 0.00 0.00 47.33 47.53 3i83 h GLY 87 CO -0.80 0.00 -0.25 1.41 0.00 0.00 0.00 176.54 176.90 3i83 h LEU 88 N 0.00 0.00 -2.83 3.11 3.38 -0.24 -1.76 115.31 116.97 3i83 h LEU 88 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3i83 h LEU 88 Cb 0.54 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.29 3i83 h LEU 88 CO 0.04 0.25 0.00 0.18 0.09 0.00 0.00 178.44 179.00 3i83 n LEU 89 N -3.66 4.30 0.03 1.67 4.77 -1.01 -4.66 117.00 118.44 3i83 n LEU 89 Ca -0.01 -2.17 0.05 0.00 -0.03 0.00 0.00 56.01 53.85 3i83 n LEU 89 Cb 0.37 -0.54 0.24 0.00 -2.33 0.00 0.00 43.42 41.16 3i83 n LEU 89 CO 0.34 0.78 0.66 -2.11 -1.33 0.00 0.00 177.39 175.74 3i83 n ARG 90 N 1.12 0.04 -2.83 3.23 0.00 -0.66 -1.69 116.66 115.87 3i83 n ARG 90 Ca 0.24 0.41 -0.00 0.00 -0.00 0.00 0.00 57.85 58.49 3i83 n ARG 90 Cb 0.79 -1.59 0.06 0.00 -0.00 0.00 0.00 32.46 31.71 3i83 n ARG 90 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.63 177.23 3i83 n ASP 91 N -1.66 1.36 -3.10 2.89 5.75 -1.26 -4.99 116.55 115.53 3i83 n ASP 91 Ca 0.01 -2.04 -0.20 0.00 -0.01 0.00 0.00 54.79 52.55 3i83 n ASP 91 Cb 0.10 -0.40 -0.04 0.00 -1.03 0.00 0.00 41.12 39.74 3i83 n ASP 91 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3i83 n ALA 92 N -0.66 1.55 -3.16 2.12 0.00 -0.68 -5.08 120.51 114.60 3i83 n ALA 92 Ca 0.05 -2.90 0.05 0.00 0.00 0.00 0.00 53.44 50.65 3i83 n ALA 92 Cb 0.81 -0.93 -0.02 0.00 0.00 0.00 0.00 19.45 19.30 3i83 n ALA 92 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.50 177.64 3i83 s VAL 93 N -0.64 -0.06 -0.19 0.00 -7.23 -1.26 -4.93 120.40 106.07 3i83 s VAL 93 Ca 0.34 0.00 0.02 0.00 -1.81 0.00 0.00 61.98 60.53 3i83 s VAL 93 Cb 0.17 -1.00 -0.21 0.00 0.56 0.00 0.00 36.38 35.90 3i83 s VAL 93 CO -0.15 0.00 0.05 0.00 -0.31 0.00 0.00 175.10 174.69 3i83 n ALA 94 N 5.25 1.29 -2.47 1.32 0.00 -1.26 -5.17 120.51 119.46 3i83 n ALA 94 Ca -0.09 -0.96 -0.43 0.00 0.00 0.00 0.00 53.44 51.97 3i83 n ALA 94 Cb 0.55 -0.34 -0.02 0.00 0.00 0.00 0.00 19.45 19.64 3i83 n ALA 94 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 3i83 s GLY 98 N -6.01 1.71 -0.23 0.00 0.00 -1.01 -5.07 107.32 96.72 3i83 s GLY 98 Ca -0.26 0.43 -0.12 0.00 0.00 0.00 0.00 44.72 44.77 3i83 s GLY 98 CO 0.70 2.41 0.24 -0.42 0.00 0.00 0.00 173.10 176.02 3i83 s ILE 99 N 3.29 5.31 -0.30 0.90 1.01 0.67 -1.74 121.20 130.34 3i83 s ILE 99 Ca 0.53 0.35 -0.04 0.00 0.00 0.00 0.00 60.65 61.48 3i83 s ILE 99 Cb -0.21 -3.57 0.03 0.00 0.01 0.00 0.00 42.46 38.72 3i83 s ILE 99 CO 0.14 0.32 0.04 -0.69 0.00 0.00 0.00 174.94 174.74 3i83 s VAL 100 N 1.14 3.41 -0.38 2.92 1.01 0.01 0.27 120.40 128.78 3i83 s VAL 100 Ca 0.11 -1.09 -0.09 0.00 0.00 0.00 0.00 61.98 60.91 3i83 s VAL 100 Cb -0.14 -2.86 0.05 0.00 0.00 0.00 0.00 36.38 33.43 3i83 s VAL 100 CO 0.06 -0.03 0.19 -0.76 0.00 0.00 0.00 175.10 174.56 3i83 s LEU 101 N 1.36 4.77 -0.34 3.92 1.43 -0.28 -0.64 118.68 128.91 3i83 s LEU 101 Ca -0.01 -1.25 -0.13 0.00 -1.03 0.00 0.00 54.13 51.70 3i83 s LEU 101 Cb -0.18 -1.96 -0.02 0.00 0.03 0.00 0.00 46.19 44.06 3i83 s LEU 101 CO 0.00 -0.43 0.25 -0.63 0.23 0.00 0.00 176.35 175.77 3i83 s ILE 102 N 1.45 5.28 0.02 -0.59 1.01 -0.72 -0.10 121.20 127.54 3i83 s ILE 102 Ca 0.01 -0.17 -0.06 0.00 0.00 0.00 0.00 60.65 60.43 3i83 s ILE 102 Cb -0.21 -3.71 -0.00 0.00 0.01 0.00 0.00 42.46 38.54 3i83 s ILE 102 CO 0.04 -0.00 0.11 -0.55 0.00 0.00 0.00 174.94 174.54 3i83 s SER 103 N 1.73 0.09 0.01 3.58 0.15 -0.61 -4.35 113.70 114.30 3i83 s SER 103 Ca 0.07 -0.34 0.27 0.00 0.70 0.00 0.00 55.95 56.64 3i83 s SER 103 Cb -0.17 0.21 0.78 0.00 -1.71 0.00 0.00 66.02 65.13 3i83 s SER 103 CO 0.11 -0.42 1.61 -3.20 1.20 0.00 0.00 173.24 172.55 3i83 n ASN 104 N 1.22 0.33 -0.27 5.45 5.15 -1.26 -4.25 115.26 121.63 3i83 n ASN 104 Ca -0.22 0.07 0.00 0.00 -0.60 0.00 0.00 54.58 53.84 3i83 n ASN 104 Cb 0.56 -0.06 0.00 0.00 -0.53 0.00 0.00 39.78 39.75 3i83 n ASN 104 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 3i83 n GLY 105 N 1.49 1.76 3.14 8.20 0.00 -1.26 -4.88 105.19 113.64 3i83 n GLY 105 Ca 0.06 -1.92 -0.19 0.00 0.00 0.00 0.00 46.02 43.97 3i83 n GLY 105 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 3i83 s ILE 106 N 2.37 1.05 -1.27 -0.61 1.10 -0.32 -4.81 121.20 118.71 3i83 s ILE 106 Ca 0.00 -1.09 -0.05 0.00 -0.51 0.00 0.00 60.65 59.00 3i83 s ILE 106 Cb 0.00 -0.98 0.01 0.00 0.15 0.00 0.00 42.46 41.64 3i83 s ILE 106 CO 0.00 -0.10 0.67 -0.67 -2.11 0.00 0.00 174.94 172.73 3i83 n ASP 107 N 1.68 -5.55 0.02 4.50 2.03 -1.26 -4.82 116.55 113.15 3i83 n ASP 107 Ca -0.19 -0.31 0.12 0.00 0.52 0.00 0.00 54.79 54.93 3i83 n ASP 107 Cb 0.55 -4.31 0.30 0.00 -0.72 0.00 0.00 41.12 36.94 3i83 n ASP 107 CO 0.00 0.00 0.00 2.30 -1.92 0.00 0.00 177.20 177.58 3i83 n ILE 108 N -4.43 0.11 0.05 5.18 -6.64 -1.26 -4.48 119.36 107.89 3i83 n ILE 108 Ca -0.06 -0.08 -0.22 0.00 -1.77 0.00 0.00 62.75 60.62 3i83 n ILE 108 Cb 0.59 -0.01 -0.15 0.00 -1.44 0.00 0.00 39.64 38.63 3i83 n ILE 108 CO 0.00 0.00 0.00 -0.33 -1.77 0.00 0.00 176.55 174.45 3i83 h GLU 109 N 0.00 0.34 -0.63 6.28 3.07 -1.99 -3.41 114.58 118.23 3i83 h GLU 109 Ca 0.00 -0.58 0.11 0.00 -0.50 0.00 0.00 59.36 58.39 3i83 h GLU 109 Cb 0.57 0.21 -0.08 0.00 -0.84 0.00 0.00 28.75 28.62 3i83 h GLU 109 CO 0.00 1.26 0.22 -1.35 -1.40 0.00 0.00 179.01 177.74 3i83 h PRO 110 N 0.09 0.37 -0.40 2.33 0.11 -2.00 -0.28 132.00 132.22 3i83 h PRO 110 Ca -0.37 -0.02 0.08 0.00 0.11 0.00 0.00 66.00 65.79 3i83 h PRO 110 Cb 2.07 -0.08 -0.07 0.00 0.11 0.00 0.00 31.00 33.03 3i83 h PRO 110 CO 0.14 0.25 -0.03 1.49 -0.21 0.00 0.00 178.00 179.64 3i83 h GLU 111 N 0.38 0.07 -0.25 1.05 4.81 -1.89 -0.70 114.58 118.06 3i83 h GLU 111 Ca 0.33 -0.00 -0.10 0.00 -0.13 0.00 0.00 59.36 59.45 3i83 h GLU 111 Cb 0.44 -0.02 -0.00 0.00 0.63 0.00 0.00 28.75 29.80 3i83 h GLU 111 CO -0.34 0.04 -0.25 0.28 -0.73 0.00 0.00 179.01 178.01 3i83 h VAL 112 N 0.07 1.31 -0.14 0.32 2.07 -1.64 -3.25 116.25 114.99 3i83 h VAL 112 Ca 0.20 -1.42 0.03 0.00 0.82 0.00 0.00 66.70 66.33 3i83 h VAL 112 Cb 0.29 1.67 -0.03 0.00 -1.52 0.00 0.00 31.29 31.71 3i83 h VAL 112 CO -0.36 0.45 -0.04 0.00 0.02 0.00 0.00 177.57 177.63 3i83 h ALA 113 N 0.68 0.09 -1.00 1.67 0.00 -0.62 -2.76 119.26 117.32 3i83 h ALA 113 Ca 0.04 0.06 0.19 0.00 0.00 0.00 0.00 54.91 55.19 3i83 h ALA 113 Cb 0.81 0.12 -0.10 0.00 0.00 0.00 0.00 17.79 18.62 3i83 h ALA 113 CO 0.06 -0.49 0.61 0.00 0.00 0.00 0.00 179.25 179.44 3i83 h ALA 114 N 1.13 1.73 0.00 0.00 0.00 -1.18 -1.48 119.26 119.46 3i83 h ALA 114 Ca 0.07 0.07 -0.17 0.00 0.00 0.00 0.00 54.91 54.88 3i83 h ALA 114 Cb 0.11 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 17.80 3i83 h ALA 114 CO -0.15 -0.10 -0.82 0.00 0.00 0.00 0.00 179.25 178.19 3i83 h ALA 115 N 1.64 0.65 -2.08 0.00 0.00 -1.55 -3.36 119.26 114.56 3i83 h ALA 115 Ca 0.57 -0.74 -0.56 0.00 0.00 0.00 0.00 54.91 54.18 3i83 h ALA 115 Cb 0.93 -0.13 -0.42 0.00 0.00 0.00 0.00 17.79 18.18 3i83 h ALA 115 CO -0.36 1.01 -0.76 1.19 0.00 0.00 0.00 179.25 180.33 3i83 n PHE 116 N -3.58 3.24 -2.13 0.00 3.72 -0.60 -5.14 117.46 112.97 3i83 n PHE 116 Ca -0.01 -3.80 -0.29 0.00 -0.05 0.00 0.00 57.45 53.30 3i83 n PHE 116 Cb 0.78 -0.41 -0.05 0.00 -0.94 0.00 0.00 39.48 38.86 3i83 n PHE 116 CO 0.00 0.00 0.00 -1.25 -0.05 0.00 0.00 176.76 175.46 3i83 s PRO 117 N -3.31 2.71 -0.17 -1.08 0.04 -0.96 -4.90 135.00 127.34 3i83 s PRO 117 Ca 0.47 -0.67 -0.10 0.00 0.04 0.00 0.00 61.00 60.73 3i83 s PRO 117 Cb 0.32 -5.16 -0.05 0.00 0.04 0.00 0.00 34.50 29.65 3i83 s PRO 117 CO -0.13 -3.36 0.17 -2.00 0.04 0.00 0.00 177.00 171.72 3i83 s GLU 120 N 6.54 4.01 -0.23 4.56 2.12 -1.26 -5.12 118.70 129.33 3i83 s GLU 120 Ca 0.66 -0.13 -0.06 0.00 0.36 0.00 0.00 54.97 55.80 3i83 s GLU 120 Cb -0.04 -3.36 -0.03 0.00 0.26 0.00 0.00 34.13 30.96 3i83 s GLU 120 CO 0.02 0.42 0.04 0.08 -0.54 0.00 0.00 175.26 175.28 3i83 s VAL 121 N 0.00 4.17 -0.30 3.70 1.01 -1.26 -0.24 120.40 127.48 3i83 s VAL 121 Ca 0.12 -0.23 -0.07 0.00 0.00 0.00 0.00 61.98 61.80 3i83 s VAL 121 Cb -0.12 -2.92 0.01 0.00 0.00 0.00 0.00 36.38 33.36 3i83 s VAL 121 CO 0.01 0.38 0.08 -0.63 0.00 0.00 0.00 175.10 174.94 3i83 s ILE 122 N 1.32 3.92 -0.12 2.22 1.01 0.14 -2.95 121.20 126.74 3i83 s ILE 122 Ca 0.05 -0.76 -0.15 0.00 0.00 0.00 0.00 60.65 59.79 3i83 s ILE 122 Cb -0.15 -3.05 -0.05 0.00 0.01 0.00 0.00 42.46 39.23 3i83 s ILE 122 CO 0.02 0.05 0.35 -0.55 0.00 0.00 0.00 174.94 174.81 3i83 s SER 123 N 1.48 6.56 -0.16 3.58 0.15 0.14 -1.12 113.70 124.33 3i83 s SER 123 Ca 0.02 0.66 0.01 0.00 0.70 0.00 0.00 55.95 57.35 3i83 s SER 123 Cb -0.17 -2.21 0.01 0.00 -1.71 0.00 0.00 66.02 61.93 3i83 s SER 123 CO 0.02 0.14 -0.20 -0.83 1.20 0.00 0.00 173.24 173.57 3i83 s GLY 124 N 0.12 1.39 -0.29 9.45 0.00 0.85 -1.67 107.32 117.18 3i83 s GLY 124 Ca 0.20 -1.15 -0.03 0.00 0.00 0.00 0.00 44.72 43.74 3i83 s GLY 124 CO 0.07 0.14 0.00 -2.27 0.00 0.00 0.00 173.10 171.04 3i83 s LEU 125 N 1.06 3.78 -0.08 0.66 2.96 0.05 -1.57 118.68 125.53 3i83 s LEU 125 Ca -0.01 -1.13 -0.13 0.00 -0.22 0.00 0.00 54.13 52.63 3i83 s LEU 125 Cb -0.14 -1.73 -0.05 0.00 0.50 0.00 0.00 46.19 44.77 3i83 s LEU 125 CO -0.07 -0.23 0.33 0.00 -1.32 0.00 0.00 176.35 175.06 3i83 s ALA 126 N 1.30 3.68 -0.31 5.97 0.00 -1.26 -1.10 121.76 130.05 3i83 s ALA 126 Ca -0.03 -0.36 0.01 0.00 0.00 0.00 0.00 51.96 51.58 3i83 s ALA 126 Cb -0.19 -2.33 0.07 0.00 0.00 0.00 0.00 23.12 20.67 3i83 s ALA 126 CO -0.01 0.36 -0.00 -0.06 0.00 0.00 0.00 175.76 176.05 3i83 s PHE 127 N -0.51 3.39 -0.29 0.00 0.08 0.06 -4.91 117.98 115.79 3i83 s PHE 127 Ca 0.20 -2.27 -0.22 0.00 0.12 0.00 0.00 56.93 54.77 3i83 s PHE 127 Cb -0.15 -2.31 0.15 0.00 -0.57 0.00 0.00 43.02 40.14 3i83 s PHE 127 CO 0.09 -0.87 1.09 -1.50 -0.10 0.00 0.00 175.22 173.93 3i83 s ILE 128 N 1.13 0.00 -0.79 0.64 2.07 -1.26 0.13 121.20 123.13 3i83 s ILE 128 Ca -0.02 0.00 -0.14 0.00 -1.41 0.00 0.00 60.65 59.07 3i83 s ILE 128 Cb -0.20 -1.00 0.20 0.00 0.13 0.00 0.00 42.46 41.59 3i83 s ILE 128 CO -0.04 0.00 0.74 -0.83 -1.91 0.00 0.00 174.94 172.90 3i83 s GLY 129 N 0.58 2.57 -0.01 1.50 0.00 -0.80 -4.97 107.32 106.18 3i83 s GLY 129 Ca -0.00 -3.20 0.03 0.00 0.00 0.00 0.00 44.72 41.55 3i83 s GLY 129 CO -0.11 1.27 -0.11 0.54 0.00 0.00 0.00 173.10 174.69 3i83 s VAL 130 N 0.43 0.87 -0.01 1.40 0.11 -1.26 -0.53 120.40 121.40 3i83 s VAL 130 Ca 0.16 -0.46 0.02 0.00 -2.93 0.00 0.00 61.98 58.77 3i83 s VAL 130 Cb -0.13 -0.74 -0.00 0.00 -1.53 0.00 0.00 36.38 33.98 3i83 s VAL 130 CO -0.07 0.25 -0.07 -0.89 -3.33 0.00 0.00 175.10 170.99 3i83 s THR 131 N -0.15 0.56 -0.57 5.04 2.01 -0.46 -4.92 115.64 117.15 3i83 s THR 131 Ca 0.02 -0.28 -0.21 0.00 0.31 0.00 0.00 61.69 61.52 3i83 s THR 131 Cb -0.05 -0.49 0.06 0.00 0.01 0.00 0.00 72.50 72.03 3i83 s THR 131 CO -0.00 0.17 0.82 -0.60 -0.69 0.00 0.00 174.62 174.32 3i83 s ARG 132 N -0.04 3.17 0.20 4.92 3.52 -1.26 0.59 118.95 130.05 3i83 s ARG 132 Ca 0.01 -0.74 0.11 0.00 -0.13 0.00 0.00 55.73 54.98 3i83 s ARG 132 Cb -0.04 -4.14 -0.08 0.00 -1.56 0.00 0.00 34.95 29.13 3i83 s ARG 132 CO -0.00 -1.50 1.36 1.79 -0.81 0.00 0.00 175.30 176.14 3i83 h THR 133 N 5.95 1.31 -3.01 4.11 1.35 -1.35 -3.48 112.91 117.79 3i83 h THR 133 Ca -0.28 -2.85 0.06 0.00 -0.55 0.00 0.00 66.41 62.79 3i83 h THR 133 Cb 1.08 2.65 -0.06 0.00 -1.73 0.00 0.00 68.15 70.09 3i83 h THR 133 CO 1.08 0.74 0.22 0.00 -0.25 0.00 0.00 175.52 177.31 3i83 s ALA 134 N -2.83 -1.26 0.18 6.62 0.00 -1.19 -5.02 121.76 118.24 3i83 s ALA 134 Ca 0.02 -0.20 -0.33 0.00 0.00 0.00 0.00 51.96 51.45 3i83 s ALA 134 Cb 0.09 0.86 -0.13 0.00 0.00 0.00 0.00 23.12 23.93 3i83 s ALA 134 CO 0.78 -1.00 1.60 -2.30 0.00 0.00 0.00 175.76 174.85 3i83 n PRO 135 N -0.45 2.28 -0.99 0.00 -0.02 -1.26 -1.13 135.00 133.42 3i83 n PRO 135 Ca -0.06 0.82 0.00 0.00 -2.02 0.00 0.00 63.50 62.24 3i83 n PRO 135 Cb 0.60 -2.60 0.00 0.00 -0.02 0.00 0.00 33.50 31.48 3i83 n PRO 135 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3i83 n GLY 136 N 3.45 0.38 2.88 -1.23 0.00 -1.26 -5.00 105.19 104.41 3i83 n GLY 136 Ca 0.16 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.89 3i83 n GLY 136 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3i83 s GLU 137 N -0.54 1.34 -0.04 1.61 0.41 -0.29 0.64 118.70 121.84 3i83 s GLU 137 Ca 0.00 -0.76 0.06 0.00 -0.41 0.00 0.00 54.97 53.86 3i83 s GLU 137 Cb 0.00 -2.36 -0.02 0.00 -1.78 0.00 0.00 34.13 29.97 3i83 s GLU 137 CO 0.00 -0.58 -0.21 0.42 -0.49 0.00 0.00 175.26 174.41 3i83 s ILE 138 N 1.56 2.50 -0.29 -1.63 -1.09 -0.70 -0.85 121.20 120.70 3i83 s ILE 138 Ca -0.03 -0.93 0.03 0.00 -2.23 0.00 0.00 60.65 57.49 3i83 s ILE 138 Cb -0.18 -1.93 0.08 0.00 -1.58 0.00 0.00 42.46 38.85 3i83 s ILE 138 CO -0.07 0.58 -0.04 0.86 -1.23 0.00 0.00 174.94 175.04 3i83 s TRP 139 N -0.59 3.39 -0.18 3.97 -0.00 0.20 -1.73 118.94 124.00 3i83 s TRP 139 Ca 0.09 -2.55 -0.26 0.00 -0.00 0.00 0.00 56.10 53.38 3i83 s TRP 139 Cb -0.11 -2.29 -0.01 0.00 -0.00 0.00 0.00 33.47 31.07 3i83 s TRP 139 CO 0.00 -0.90 0.85 -1.58 -0.00 0.00 0.00 176.95 175.33 3i83 s HIS 140 N 1.05 3.40 -0.12 5.86 5.65 -0.81 -1.36 115.29 128.96 3i83 s HIS 140 Ca -0.01 1.27 -0.11 0.00 0.25 0.00 0.00 55.06 56.46 3i83 s HIS 140 Cb -0.20 -3.05 -0.05 0.00 -1.18 0.00 0.00 32.58 28.10 3i83 s HIS 140 CO -0.07 -0.28 -0.24 1.04 -0.65 0.00 0.00 174.74 174.55 3i83 n GLN 141 N 5.42 0.37 -3.98 2.88 6.02 0.30 -4.33 117.38 124.07 3i83 n GLN 141 Ca 0.05 0.15 -0.08 0.00 -0.01 0.00 0.00 57.00 57.12 3i83 n GLN 141 Cb 0.48 -1.14 -0.09 0.00 1.02 0.00 0.00 30.24 30.52 3i83 n GLN 141 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 3i83 s ALA 142 N -2.52 0.15 0.00 -1.58 0.00 -1.16 -4.83 121.76 111.81 3i83 s ALA 142 Ca -0.22 -0.90 0.00 0.00 0.00 0.00 0.00 51.96 50.84 3i83 s ALA 142 Cb 0.05 0.37 0.00 0.00 0.00 0.00 0.00 23.12 23.54 3i83 s ALA 142 CO 0.30 -0.43 0.00 0.66 0.00 0.00 0.00 175.76 176.29 3i83 n TYR 143 N 0.08 0.00 0.00 0.00 4.01 -1.26 -1.90 117.16 118.08 3i83 n TYR 143 Ca -0.15 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.59 3i83 n TYR 143 Cb 0.61 0.05 0.00 0.00 -0.31 0.00 0.00 39.34 39.70 3i83 n TYR 143 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3i83 n GLY 144 N 0.00 0.97 3.22 2.72 0.00 0.12 -4.91 105.19 107.31 3i83 n GLY 144 Ca 0.00 0.00 -0.49 0.00 0.00 0.00 0.00 46.02 45.53 3i83 n GLY 144 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 3i83 n ARG 145 N 0.00 0.00 -4.26 1.61 0.63 -1.09 -4.67 116.66 108.87 3i83 n ARG 145 Ca 0.00 0.00 -0.28 0.00 -0.92 0.00 0.00 57.85 56.65 3i83 n ARG 145 Cb 0.00 -1.13 -0.17 0.00 0.45 0.00 0.00 32.46 31.62 3i83 n ARG 145 CO 0.00 0.00 0.00 -1.17 -2.51 0.00 0.00 177.63 173.95 3i83 s LEU 146 N 1.66 1.57 -0.14 6.15 2.96 -0.21 -0.76 118.68 129.91 3i83 s LEU 146 Ca 0.70 -0.39 -0.06 0.00 -0.22 0.00 0.00 54.13 54.16 3i83 s LEU 146 Cb -1.00 -1.01 -0.04 0.00 0.50 0.00 0.00 46.19 44.64 3i83 s LEU 146 CO 0.53 -0.03 0.09 -0.04 -1.32 0.00 0.00 176.35 175.58 3i83 s MET 147 N 1.20 3.56 0.00 1.98 -1.94 -0.26 -1.40 119.30 122.44 3i83 s MET 147 Ca -0.03 -0.24 0.02 0.00 -1.71 0.00 0.00 55.69 53.73 3i83 s MET 147 Cb -0.14 -3.14 -0.01 0.00 2.01 0.00 0.00 34.83 33.55 3i83 s MET 147 CO -0.04 0.59 -0.06 -0.51 -0.01 0.00 0.00 175.02 174.99 3i83 s LEU 148 N -0.52 2.05 0.06 -0.03 1.43 0.83 -0.77 118.68 121.72 3i83 s LEU 148 Ca 0.11 -0.18 -0.27 0.00 -1.03 0.00 0.00 54.13 52.76 3i83 s LEU 148 Cb -0.12 -0.30 0.09 0.00 0.03 0.00 0.00 46.19 45.89 3i83 s LEU 148 CO 0.02 0.03 0.91 -0.83 0.23 0.00 0.00 176.35 176.71 3i83 s GLY 149 N -0.37 -0.38 0.58 -3.19 0.00 -0.67 0.44 107.32 103.73 3i83 s GLY 149 Ca 0.01 0.65 -0.17 0.00 0.00 0.00 0.00 44.72 45.20 3i83 s GLY 149 CO -0.00 0.20 1.08 -1.31 0.00 0.00 0.00 173.10 173.07 3i83 s ASN 150 N -2.67 5.73 -0.09 1.64 -0.87 0.12 0.25 114.94 119.04 3i83 s ASN 150 Ca 0.08 1.96 -0.05 0.00 -1.57 0.00 0.00 52.86 53.28 3i83 s ASN 150 Cb -0.01 -2.55 -0.04 0.00 -0.02 0.00 0.00 41.25 38.63 3i83 s ASN 150 CO -0.05 -1.21 0.10 -0.47 -2.57 0.00 0.00 177.10 172.90 3i83 s TYR 151 N -2.18 3.44 -0.56 2.20 5.04 -1.15 -1.85 117.35 122.28 3i83 s TYR 151 Ca 0.67 0.39 0.21 0.00 -2.44 0.00 0.00 57.07 55.90 3i83 s TYR 151 Cb -0.19 -1.87 0.90 0.00 0.35 0.00 0.00 41.96 41.15 3i83 s TYR 151 CO 0.32 0.64 1.64 -2.30 -1.34 0.00 0.00 175.55 174.51 3i83 n PRO 152 N 1.89 0.15 -3.73 4.97 -0.02 -1.26 -4.85 135.00 132.16 3i83 n PRO 152 Ca -0.18 0.42 0.04 0.00 -2.02 0.00 0.00 63.50 61.75 3i83 n PRO 152 Cb 0.54 -1.80 0.00 0.00 -0.02 0.00 0.00 33.50 32.22 3i83 n PRO 152 CO 0.00 0.00 0.00 0.20 1.98 0.00 0.00 175.50 177.68 3i83 s GLY 153 N -3.43 -0.40 0.00 -1.23 0.00 -0.77 -4.43 107.32 97.06 3i83 s GLY 153 Ca 0.04 0.67 0.00 0.00 0.00 0.00 0.00 44.72 45.43 3i83 s GLY 153 CO 0.33 2.55 0.00 0.61 0.00 0.00 0.00 173.10 176.60 3i83 n GLY 154 N -0.67 2.50 2.66 0.20 0.00 -0.17 -4.57 105.19 105.14 3i83 n GLY 154 Ca -0.04 -1.93 -0.24 0.00 0.00 0.00 0.00 46.02 43.80 3i83 n GLY 154 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3i83 s VAL 155 N -2.92 0.06 0.67 1.61 1.01 -1.26 -0.70 120.40 118.86 3i83 s VAL 155 Ca 0.00 -0.05 -0.01 0.00 0.00 0.00 0.00 61.98 61.92 3i83 s VAL 155 Cb 0.00 -0.54 0.09 0.00 0.00 0.00 0.00 36.38 35.93 3i83 s VAL 155 CO 0.00 -0.10 0.94 -0.94 0.00 0.00 0.00 175.10 175.00 3i83 s SER 156 N 2.08 4.65 0.20 3.32 1.04 -1.26 -4.94 113.70 118.78 3i83 s SER 156 Ca 0.03 -0.16 -0.09 0.00 0.48 0.00 0.00 55.95 56.20 3i83 s SER 156 Cb -0.15 -0.39 0.12 0.00 0.10 0.00 0.00 66.02 65.70 3i83 s SER 156 CO -0.07 -1.64 1.76 -0.08 0.98 0.00 0.00 173.24 174.19 3i83 h GLU 157 N -0.38 1.08 -0.65 4.02 4.57 -2.01 -2.01 114.58 119.19 3i83 h GLU 157 Ca -0.39 -0.20 0.10 0.00 -1.18 0.00 0.00 59.36 57.70 3i83 h GLU 157 Cb 1.28 -0.17 -0.08 0.00 -0.16 0.00 0.00 28.75 29.62 3i83 h GLU 157 CO 0.46 0.89 0.25 -0.09 -1.18 0.00 0.00 179.01 179.34 3i83 h ARG 158 N 1.03 0.42 -0.43 1.92 2.43 -1.98 0.65 114.38 118.42 3i83 h ARG 158 Ca 0.24 -0.03 0.01 0.00 -0.81 0.00 0.00 59.98 59.40 3i83 h ARG 158 Cb 0.22 -0.09 -0.03 0.00 -0.42 0.00 0.00 29.97 29.64 3i83 h ARG 158 CO -0.02 0.28 0.26 0.28 -1.51 0.00 0.00 179.97 179.26 3i83 h VAL 159 N 0.43 1.06 -0.33 0.20 2.07 -1.79 0.65 116.25 118.55 3i83 h VAL 159 Ca 0.33 -0.18 -0.07 0.00 0.82 0.00 0.00 66.70 67.60 3i83 h VAL 159 Cb 0.43 0.49 -0.02 0.00 -1.52 0.00 0.00 31.29 30.67 3i83 h VAL 159 CO -0.33 0.10 -0.11 0.11 0.02 0.00 0.00 177.57 177.36 3i83 h LYS 160 N 0.53 0.56 -0.21 1.57 1.57 -0.66 -0.80 116.57 119.13 3i83 h LYS 160 Ca 0.17 -0.16 -0.20 0.00 -1.87 0.00 0.00 60.65 58.58 3i83 h LYS 160 Cb -0.01 -0.06 0.01 0.00 0.08 0.00 0.00 32.23 32.24 3i83 h LYS 160 CO -0.07 0.66 -0.66 1.15 -0.57 0.00 0.00 179.45 179.97 3i83 h THR 161 N 0.52 1.28 -0.40 -0.16 2.02 -0.48 -1.26 112.91 114.43 3i83 h THR 161 Ca 0.10 -1.85 0.01 0.00 0.77 0.00 0.00 66.41 65.43 3i83 h THR 161 Cb 0.50 1.84 -0.02 0.00 -1.74 0.00 0.00 68.15 68.72 3i83 h THR 161 CO 0.03 0.59 0.25 -0.07 0.37 0.00 0.00 175.52 176.70 3i83 h LEU 162 N 0.57 0.43 -0.04 2.58 3.38 -0.62 -1.55 115.31 120.06 3i83 h LEU 162 Ca -0.02 -0.01 -0.00 0.00 0.09 0.00 0.00 57.88 57.94 3i83 h LEU 162 Cb 1.28 -0.10 -0.00 0.00 0.09 0.00 0.00 40.66 41.93 3i83 h LEU 162 CO 0.14 0.31 0.02 0.00 0.09 0.00 0.00 178.44 179.00 3i83 h ALA 163 N 1.16 0.06 -0.97 1.53 0.00 -1.02 -1.75 119.26 118.28 3i83 h ALA 163 Ca 0.15 -0.09 0.18 0.00 0.00 0.00 0.00 54.91 55.15 3i83 h ALA 163 Cb -0.04 -0.02 -0.10 0.00 0.00 0.00 0.00 17.79 17.63 3i83 h ALA 163 CO -0.05 -0.35 0.57 0.00 0.00 0.00 0.00 179.25 179.42 3i83 h ALA 164 N 0.85 1.57 -0.49 0.00 0.00 -1.23 0.49 119.26 120.45 3i83 h ALA 164 Ca 0.01 0.08 -0.00 0.00 0.00 0.00 0.00 54.91 55.00 3i83 h ALA 164 Cb 0.17 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 17.87 3i83 h ALA 164 CO -0.00 -0.05 0.30 0.00 0.00 0.00 0.00 179.25 179.49 3i83 h ALA 165 N 1.63 0.62 -0.47 0.00 0.00 -0.60 0.44 119.26 120.88 3i83 h ALA 165 Ca 0.55 -0.06 -0.13 0.00 0.00 0.00 0.00 54.91 55.27 3i83 h ALA 165 Cb 0.83 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.41 3i83 h ALA 165 CO -0.38 0.10 -0.22 0.74 0.00 0.00 0.00 179.25 179.49 3i83 h PHE 166 N 0.65 1.11 -0.72 0.00 0.04 -0.47 -2.59 116.94 114.96 3i83 h PHE 166 Ca 0.18 -0.27 0.04 0.00 2.80 0.00 0.00 57.97 60.72 3i83 h PHE 166 Cb -0.02 -0.26 -0.05 0.00 2.20 0.00 0.00 35.95 37.82 3i83 h PHE 166 CO -0.03 1.08 0.44 0.93 -0.60 0.00 0.00 178.31 180.13 3i83 h GLU 167 N 0.83 0.82 -0.51 1.51 4.39 -0.60 -2.07 114.58 118.96 3i83 h GLU 167 Ca 0.11 -0.05 0.04 0.00 0.34 0.00 0.00 59.36 59.80 3i83 h GLU 167 Cb 0.79 -0.18 -0.04 0.00 -0.10 0.00 0.00 28.75 29.21 3i83 h GLU 167 CO 0.07 0.54 0.26 0.93 -1.16 0.00 0.00 179.01 179.65 3i83 h GLU 168 N 0.84 0.49 0.00 2.33 4.39 -0.76 -1.82 114.58 120.05 3i83 h GLU 168 Ca 0.30 -0.03 0.00 0.00 0.34 0.00 0.00 59.36 59.97 3i83 h GLU 168 Cb 0.07 -0.11 0.00 0.00 -0.10 0.00 0.00 28.75 28.61 3i83 h GLU 168 CO -0.13 0.33 0.00 0.00 -1.16 0.00 0.00 179.01 178.04 3i83 n ALA 169 N -2.33 1.79 0.00 3.43 0.00 -0.81 -4.87 120.51 117.72 3i83 n ALA 169 Ca 0.04 -0.06 0.00 0.00 0.00 0.00 0.00 53.44 53.42 3i83 n ALA 169 Cb 0.13 -1.22 0.00 0.00 0.00 0.00 0.00 19.45 18.36 3i83 n ALA 169 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3i83 n GLY 170 N -0.12 1.87 3.99 0.00 0.00 -0.68 -5.05 105.19 105.20 3i83 n GLY 170 Ca 0.06 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.89 3i83 n GLY 170 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 3i83 s ILE 171 N -1.60 3.79 0.01 -0.61 -4.36 -1.20 -5.00 121.20 112.23 3i83 s ILE 171 Ca 0.00 -0.93 -0.30 0.00 -0.26 0.00 0.00 60.65 59.16 3i83 s ILE 171 Cb 0.00 -3.31 -0.08 0.00 1.25 0.00 0.00 42.46 40.32 3i83 s ILE 171 CO 0.00 -0.14 1.84 -1.81 0.24 0.00 0.00 174.94 175.08 3i83 s ASP 172 N -4.23 6.53 -0.53 4.36 1.01 -1.26 -3.70 116.67 118.86 3i83 s ASP 172 Ca 0.48 2.51 0.04 0.00 0.71 0.00 0.00 52.55 56.29 3i83 s ASP 172 Cb -0.10 -2.53 0.13 0.00 1.01 0.00 0.00 42.92 41.43 3i83 s ASP 172 CO 0.32 -1.00 0.28 -0.83 0.21 0.00 0.00 175.17 174.15 3i83 s GLY 173 N 3.93 2.46 -0.33 0.21 0.00 -1.26 -1.05 107.32 111.29 3i83 s GLY 173 Ca 0.82 -3.30 -0.13 0.00 0.00 0.00 0.00 44.72 42.11 3i83 s GLY 173 CO 0.37 1.03 0.28 -0.42 0.00 0.00 0.00 173.10 174.36 3i83 s ILE 174 N -0.37 5.25 -0.21 0.90 -1.09 -0.49 -4.48 121.20 120.71 3i83 s ILE 174 Ca 0.18 -0.03 -0.28 0.00 -2.23 0.00 0.00 60.65 58.29 3i83 s ILE 174 Cb -0.24 -3.72 0.00 0.00 -1.58 0.00 0.00 42.46 36.92 3i83 s ILE 174 CO -0.01 0.02 0.98 0.00 -1.23 0.00 0.00 174.94 174.70 3i83 s ALA 175 N 1.84 3.62 0.01 9.38 0.00 -1.26 -0.12 121.76 135.23 3i83 s ALA 175 Ca 0.09 0.15 0.07 0.00 0.00 0.00 0.00 51.96 52.27 3i83 s ALA 175 Cb -0.17 -3.46 -0.02 0.00 0.00 0.00 0.00 23.12 19.47 3i83 s ALA 175 CO 0.11 -0.93 -0.22 -0.08 0.00 0.00 0.00 175.76 174.64 3i83 s THR 176 N 2.87 1.76 -1.00 0.00 -1.32 0.17 -4.92 115.64 113.20 3i83 s THR 176 Ca 0.43 -1.08 0.28 0.00 -1.21 0.00 0.00 61.69 60.11 3i83 s THR 176 Cb -0.16 -1.49 0.24 0.00 -1.51 0.00 0.00 72.50 69.58 3i83 s THR 176 CO 0.09 0.38 1.91 1.21 -2.21 0.00 0.00 174.62 176.00 3i83 n GLU 177 N 2.22 0.00 -3.07 7.08 2.13 -1.26 -4.04 120.64 123.70 3i83 n GLU 177 Ca -0.16 0.01 -0.23 0.00 0.66 0.00 0.00 57.16 57.44 3i83 n GLU 177 Cb 0.53 -1.50 -0.04 0.00 0.27 0.00 0.00 31.44 30.70 3i83 n GLU 177 CO 0.00 0.00 0.00 -1.71 -0.41 0.00 0.00 177.13 175.01 3i83 n ASN 178 N -1.51 2.85 0.12 4.31 2.85 -1.26 -1.00 115.26 121.62 3i83 n ASN 178 Ca 0.07 -3.38 0.04 0.00 -0.11 0.00 0.00 54.58 51.20 3i83 n ASN 178 Cb 0.33 -0.59 0.44 0.00 1.24 0.00 0.00 39.78 41.20 3i83 n ASN 178 CO 0.00 0.00 0.00 -0.29 -2.11 0.00 0.00 177.26 174.86 3i83 h ILE 179 N 2.15 1.13 -0.14 -1.44 6.09 -1.81 -1.77 117.51 121.72 3i83 h ILE 179 Ca 0.12 -0.54 -0.07 0.00 -1.37 0.00 0.00 64.86 63.00 3i83 h ILE 179 Cb 0.71 1.04 -0.00 0.00 0.47 0.00 0.00 36.82 39.03 3i83 h ILE 179 CO 0.68 0.18 -0.20 0.74 -3.07 0.00 0.00 178.15 176.48 3i83 h THR 180 N 0.26 1.36 -0.43 2.19 2.02 -1.89 0.34 112.91 116.75 3i83 h THR 180 Ca 0.06 -1.41 0.03 0.00 0.77 0.00 0.00 66.41 65.85 3i83 h THR 180 Cb 0.23 1.95 -0.03 0.00 -1.74 0.00 0.00 68.15 68.55 3i83 h THR 180 CO 0.01 0.42 0.23 0.74 0.37 0.00 0.00 175.52 177.29 3i83 h THR 181 N -0.00 1.01 -0.87 3.16 2.02 -1.83 -1.33 112.91 115.05 3i83 h THR 181 Ca 0.02 -0.16 0.15 0.00 0.77 0.00 0.00 66.41 67.19 3i83 h THR 181 Cb 0.76 0.50 -0.10 0.00 -1.74 0.00 0.00 68.15 67.57 3i83 h THR 181 CO 0.05 0.09 0.46 0.00 0.37 0.00 0.00 175.52 176.48 3i83 h ALA 182 N 1.21 1.34 -0.42 6.16 0.00 -1.05 0.79 119.26 127.28 3i83 h ALA 182 Ca 0.18 0.09 -0.06 0.00 0.00 0.00 0.00 54.91 55.12 3i83 h ALA 182 Cb 0.05 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 17.81 3i83 h ALA 182 CO -0.10 -0.09 0.04 0.00 0.00 0.00 0.00 179.25 179.10 3i83 h ARG 183 N 0.64 0.72 -0.89 0.00 3.08 -0.23 -1.78 114.38 115.91 3i83 h ARG 183 Ca 0.48 -0.21 0.07 0.00 0.07 0.00 0.00 59.98 60.40 3i83 h ARG 183 Cb 0.70 -0.08 -0.07 0.00 0.08 0.00 0.00 29.97 30.61 3i83 h ARG 183 CO -0.37 0.77 0.55 -1.49 -1.07 0.00 0.00 179.97 178.36 3i83 h TRP 184 N 0.56 1.02 -0.53 3.04 4.06 -0.79 -1.35 115.95 121.96 3i83 h TRP 184 Ca 0.12 0.03 -0.02 0.00 2.06 0.00 0.00 58.89 61.08 3i83 h TRP 184 Cb 0.42 -0.33 -0.02 0.00 -1.00 0.00 0.00 29.16 28.23 3i83 h TRP 184 CO 0.03 0.50 0.24 0.37 -3.56 0.00 0.00 178.44 176.02 3i83 h GLN 185 N 0.98 0.77 -0.41 0.49 4.15 -0.33 -2.06 115.11 118.70 3i83 h GLN 185 Ca 0.40 -0.12 -0.03 0.00 0.77 0.00 0.00 58.65 59.66 3i83 h GLN 185 Cb 0.22 -0.13 -0.02 0.00 0.21 0.00 0.00 27.48 27.75 3i83 h GLN 185 CO -0.19 0.64 0.12 -0.22 -1.93 0.00 0.00 178.83 177.25 3i83 h LYS 186 N 0.71 0.60 -0.12 1.69 3.64 -1.16 -2.99 116.57 118.93 3i83 h LYS 186 Ca 0.18 -0.10 -0.03 0.00 -1.27 0.00 0.00 60.65 59.43 3i83 h LYS 186 Cb 0.14 -0.10 -0.01 0.00 -0.41 0.00 0.00 32.23 31.84 3i83 h LYS 186 CO -0.02 0.54 -0.08 0.00 -2.27 0.00 0.00 179.45 177.62 3i83 h VAL 188 N 0.18 0.50 0.00 0.00 2.07 -1.28 0.58 116.25 118.30 3i83 h VAL 188 Ca 0.04 -0.13 -0.05 0.00 0.82 0.00 0.00 66.70 67.38 3i83 h VAL 188 Cb 0.26 0.08 -0.01 0.00 -1.52 0.00 0.00 31.29 30.11 3i83 h VAL 188 CO 0.01 0.07 -0.30 -0.25 0.02 0.00 0.00 177.57 177.12 3i83 h TRP 189 N 0.38 0.00 -0.85 1.57 7.01 -1.30 -3.36 115.95 119.39 3i83 h TRP 189 Ca 0.52 0.00 0.06 0.00 2.11 0.00 0.00 58.89 61.57 3i83 h TRP 189 Cb 0.94 0.00 -0.06 0.00 -2.10 0.00 0.00 29.16 27.94 3i83 h TRP 189 CO -0.17 1.10 0.53 -0.91 -2.79 0.00 0.00 178.44 176.20 3i83 h ASN 190 N -1.00 0.85 0.75 2.65 2.35 -1.05 -1.79 115.58 118.34 3i83 h ASN 190 Ca -0.08 0.01 -0.04 0.00 -0.55 0.00 0.00 56.30 55.64 3i83 h ASN 190 Cb 1.06 -0.17 -0.01 0.00 0.05 0.00 0.00 38.32 39.26 3i83 h ASN 190 CO -0.05 0.55 -0.18 0.00 -1.65 0.00 0.00 177.43 176.11 3i83 h ALA 191 N 1.39 1.09 0.00 -0.83 0.00 -1.06 -2.27 119.26 117.58 3i83 h ALA 191 Ca 0.36 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 55.11 3i83 h ALA 191 Cb 0.13 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.90 3i83 h ALA 191 CO -0.16 0.22 -0.30 0.00 0.00 0.00 0.00 179.25 179.01 3i83 h ALA 192 N 1.82 0.00 -0.13 0.00 0.00 -1.60 -3.41 119.26 115.95 3i83 h ALA 192 Ca -0.00 -0.37 -0.18 0.00 0.00 0.00 0.00 54.91 54.36 3i83 h ALA 192 Cb 0.60 0.30 -0.00 0.00 0.00 0.00 0.00 17.79 18.68 3i83 h ALA 192 CO 0.02 0.30 -0.67 0.74 0.00 0.00 0.00 179.25 179.64 3i83 h PHE 193 N -0.69 0.69 0.53 0.00 0.04 -1.40 -2.61 116.94 113.50 3i83 h PHE 193 Ca 0.00 -0.28 -0.03 0.00 2.80 0.00 0.00 57.97 60.46 3i83 h PHE 193 Cb 0.30 -0.11 0.01 0.00 2.20 0.00 0.00 35.95 38.34 3i83 h PHE 193 CO -0.13 1.04 -0.26 -0.91 -0.60 0.00 0.00 178.31 177.45 3i83 h ASN 194 N 0.37 -0.60 -0.03 2.17 2.35 -1.61 -0.42 115.58 117.81 3i83 h ASN 194 Ca -0.02 -0.01 -0.10 0.00 -0.55 0.00 0.00 56.30 55.62 3i83 h ASN 194 Cb 1.24 0.16 -0.01 0.00 0.05 0.00 0.00 38.32 39.75 3i83 h ASN 194 CO 0.12 -0.37 -0.26 1.55 -1.65 0.00 0.00 177.43 176.82 3i83 h PRO 195 N -0.80 0.45 -0.27 0.81 0.13 -1.74 -2.91 132.00 127.67 3i83 h PRO 195 Ca -0.07 -0.17 -0.06 0.00 -0.87 0.00 0.00 66.00 64.83 3i83 h PRO 195 Cb 0.58 -0.03 -0.02 0.00 0.13 0.00 0.00 31.00 31.67 3i83 h PRO 195 CO 0.12 0.68 -0.08 -0.07 -0.23 0.00 0.00 178.00 178.42 3i83 h LEU 196 N 0.40 0.42 -1.05 1.56 4.07 -1.40 0.17 115.31 119.48 3i83 h LEU 196 Ca 0.06 -0.09 -0.07 0.00 0.08 0.00 0.00 57.88 57.86 3i83 h LEU 196 Cb 0.67 -0.11 -0.02 0.00 1.08 0.00 0.00 40.66 42.29 3i83 h LEU 196 CO 0.05 0.54 -0.04 0.77 -1.08 0.00 0.00 178.44 178.68 3i83 h SER 197 N 0.42 0.60 0.00 -0.43 4.64 -0.88 -2.02 113.55 115.88 3i83 h SER 197 Ca 0.08 -0.14 -0.04 0.00 -0.47 0.00 0.00 61.79 61.23 3i83 h SER 197 Cb 0.40 -0.16 -0.00 0.00 -0.31 0.00 0.00 62.40 62.33 3i83 h SER 197 CO 0.02 0.70 -0.20 0.58 -0.87 0.00 0.00 176.83 177.05 3i83 h VAL 198 N 0.59 1.67 0.00 0.95 2.07 -1.33 -1.30 116.25 118.90 3i83 h VAL 198 Ca 0.12 -2.33 -0.05 0.00 0.82 0.00 0.00 66.70 65.26 3i83 h VAL 198 Cb 0.43 3.23 -0.01 0.00 -1.52 0.00 0.00 31.29 33.42 3i83 h VAL 198 CO 0.02 0.57 -0.22 -0.07 0.02 0.00 0.00 177.57 177.89 3i83 h LEU 199 N -0.98 0.00 0.00 2.57 3.38 -1.02 -1.50 115.31 117.76 3i83 h LEU 199 Ca -0.05 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.92 3i83 h LEU 199 Cb 1.06 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.81 3i83 h LEU 199 CO -0.02 0.22 0.00 -1.54 0.09 0.00 0.00 178.44 177.19 3i83 n SER 200 N -3.86 0.00 0.00 -0.43 3.41 -0.76 -4.90 113.62 107.08 3i83 n SER 200 Ca -0.02 -0.25 0.00 0.00 -0.26 0.00 0.00 58.87 58.35 3i83 n SER 200 Cb 0.32 -0.22 0.00 0.00 -0.26 0.00 0.00 64.21 64.05 3i83 n SER 200 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3i83 n GLY 201 N 0.81 0.55 0.00 5.00 0.00 -0.56 -4.49 105.19 106.49 3i83 n GLY 201 Ca 0.14 -0.45 0.00 0.00 0.00 0.00 0.00 46.02 45.71 3i83 n GLY 201 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3i83 n GLY 202 N -2.80 1.75 3.80 -0.02 0.00 -0.50 -5.03 105.19 102.39 3i83 n GLY 202 Ca 0.00 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.68 3i83 n GLY 202 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3i83 s LEU 203 N 0.00 3.80 0.65 0.99 1.43 -1.19 -5.04 118.68 119.33 3i83 s LEU 203 Ca 0.00 1.86 -0.09 0.00 -1.03 0.00 0.00 54.13 54.87 3i83 s LEU 203 Cb 0.00 -4.55 0.01 0.00 0.03 0.00 0.00 46.19 41.68 3i83 s LEU 203 CO 0.00 -0.77 1.02 1.51 0.23 0.00 0.00 176.35 178.34 3i83 s ASP 204 N -2.19 5.56 0.37 2.29 1.47 -1.26 -4.63 116.67 118.28 3i83 s ASP 204 Ca 0.66 1.00 0.06 0.00 1.18 0.00 0.00 52.55 55.44 3i83 s ASP 204 Cb -0.15 -1.89 0.76 0.00 -0.34 0.00 0.00 42.92 41.29 3i83 s ASP 204 CO 0.22 -1.20 1.97 0.71 0.68 0.00 0.00 175.17 177.55 3i83 h THR 205 N -0.45 1.03 -0.29 2.11 1.35 -1.72 -2.44 112.91 112.51 3i83 h THR 205 Ca -0.45 -0.25 -0.16 0.00 -0.55 0.00 0.00 66.41 64.99 3i83 h THR 205 Cb 1.25 0.23 -0.00 0.00 -1.73 0.00 0.00 68.15 67.90 3i83 h THR 205 CO 0.63 0.13 -0.46 -0.07 -0.25 0.00 0.00 175.52 175.50 3i83 h LEU 206 N 0.73 0.90 -0.93 3.87 3.38 -1.89 -0.99 115.31 120.39 3i83 h LEU 206 Ca 0.29 -0.52 0.04 0.00 0.09 0.00 0.00 57.88 57.78 3i83 h LEU 206 Cb 0.23 -0.26 -0.06 0.00 0.09 0.00 0.00 40.66 40.66 3i83 h LEU 206 CO -0.09 1.25 0.60 0.44 0.09 0.00 0.00 178.44 180.73 3i83 h ASP 207 N 0.59 1.00 0.10 -0.43 3.32 -1.86 -0.45 116.42 118.70 3i83 h ASP 207 Ca 0.02 -0.01 -0.01 0.00 0.02 0.00 0.00 57.03 57.06 3i83 h ASP 207 Cb 1.07 -0.22 0.00 0.00 0.22 0.00 0.00 39.33 40.39 3i83 h ASP 207 CO 0.11 0.68 -0.05 0.40 -1.72 0.00 0.00 179.24 178.66 3i83 h ILE 208 N 1.16 1.11 -0.54 0.35 2.04 -1.16 -2.74 117.51 117.73 3i83 h ILE 208 Ca 0.37 -0.97 -0.08 0.00 1.00 0.00 0.00 64.86 65.19 3i83 h ILE 208 Cb 0.02 1.71 -0.02 0.00 -0.74 0.00 0.00 36.82 37.78 3i83 h ILE 208 CO -0.12 0.23 0.02 0.25 0.00 0.00 0.00 178.15 178.52 3i83 h LEU 209 N -0.60 0.92 -0.98 1.44 5.85 -1.19 -1.54 115.31 119.21 3i83 h LEU 209 Ca -0.01 -0.30 -0.10 0.00 0.84 0.00 0.00 57.88 58.31 3i83 h LEU 209 Cb 0.48 -0.25 -0.01 0.00 0.37 0.00 0.00 40.66 41.25 3i83 h LEU 209 CO 0.02 0.99 -0.46 0.77 -0.34 0.00 0.00 178.44 179.42 3i83 h SER 210 N 0.82 0.00 0.00 1.25 4.64 -1.11 -2.37 113.55 116.78 3i83 h SER 210 Ca 0.16 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.48 3i83 h SER 210 Cb 0.51 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.60 3i83 h SER 210 CO 0.02 0.46 -1.64 0.35 -0.87 0.00 0.00 176.83 175.15 3i83 n THR 211 N -3.78 0.00 -2.69 2.95 -2.24 -1.03 -4.61 114.28 102.88 3i83 n THR 211 Ca -0.01 -0.34 -0.08 0.00 -2.27 0.00 0.00 64.05 61.35 3i83 n THR 211 Cb 0.52 0.32 0.03 0.00 -2.10 0.00 0.00 70.33 69.10 3i83 n THR 211 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3i83 n GLN 212 N -1.99 1.29 -0.32 -0.78 1.13 -0.58 -4.94 117.38 111.18 3i83 n GLN 212 Ca -0.01 -3.32 0.00 0.00 -1.94 0.00 0.00 57.00 51.73 3i83 n GLN 212 Cb 0.47 -1.32 0.14 0.00 0.11 0.00 0.00 30.24 29.64 3i83 n GLN 212 CO 0.00 0.00 0.00 1.49 -1.44 0.00 0.00 177.06 177.11 3i83 h GLU 213 N 2.92 1.01 -0.74 -1.09 4.81 -1.59 -1.77 114.58 118.13 3i83 h GLU 213 Ca -0.10 -0.06 0.07 0.00 -0.13 0.00 0.00 59.36 59.14 3i83 h GLU 213 Cb 1.19 -0.23 -0.06 0.00 0.63 0.00 0.00 28.75 30.29 3i83 h GLU 213 CO 0.45 0.66 0.42 0.78 -0.73 0.00 0.00 179.01 180.60 3i83 h GLY 214 N 1.04 1.10 0.94 1.92 0.00 -1.92 -0.27 103.07 105.88 3i83 h GLY 214 Ca 0.37 -0.29 -0.11 0.00 0.00 0.00 0.00 47.33 47.31 3i83 h GLY 214 CO -0.16 0.17 -0.23 -2.75 0.00 0.00 0.00 176.54 173.57 3i83 h PHE 215 N 0.76 0.79 -0.54 5.60 3.57 -1.81 -1.04 116.94 124.27 3i83 h PHE 215 Ca 0.33 -0.22 0.02 0.00 3.53 0.00 0.00 57.97 61.64 3i83 h PHE 215 Cb 0.22 -0.17 -0.04 0.00 2.79 0.00 0.00 35.95 38.76 3i83 h PHE 215 CO -0.07 0.94 0.32 0.28 -2.23 0.00 0.00 178.31 177.56 3i83 h VAL 216 N 0.41 1.06 -0.80 1.41 2.07 -1.02 -1.43 116.25 117.95 3i83 h VAL 216 Ca 0.05 -0.22 -0.02 0.00 0.82 0.00 0.00 66.70 67.33 3i83 h VAL 216 Cb 0.78 0.36 -0.04 0.00 -1.52 0.00 0.00 31.29 30.88 3i83 h VAL 216 CO 0.06 0.12 0.42 0.03 0.02 0.00 0.00 177.57 178.22 3i83 h ARG 217 N 0.64 1.12 -0.78 1.57 3.08 -0.89 -1.34 114.38 117.78 3i83 h ARG 217 Ca 0.22 -0.14 -0.02 0.00 0.07 0.00 0.00 59.98 60.10 3i83 h ARG 217 Cb 0.02 -0.21 -0.04 0.00 0.08 0.00 0.00 29.97 29.82 3i83 h ARG 217 CO -0.10 0.84 0.40 0.00 -1.07 0.00 0.00 179.97 180.05 3i83 h ALA 218 N 1.22 1.00 -0.25 0.04 0.00 -0.64 -0.57 119.26 120.05 3i83 h ALA 218 Ca 0.28 -0.14 -0.02 0.00 0.00 0.00 0.00 54.91 55.03 3i83 h ALA 218 Cb 0.06 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 17.53 3i83 h ALA 218 CO -0.04 0.54 0.07 0.82 0.00 0.00 0.00 179.25 180.63 3i83 h ILE 219 N 1.09 1.21 -0.76 0.00 2.04 -0.95 -2.51 117.51 117.63 3i83 h ILE 219 Ca 0.27 -0.68 0.00 0.00 1.00 0.00 0.00 64.86 65.46 3i83 h ILE 219 Cb 0.08 1.17 -0.04 0.00 -0.74 0.00 0.00 36.82 37.29 3i83 h ILE 219 CO -0.04 0.22 0.49 0.24 0.00 0.00 0.00 178.15 179.06 3i83 h MET 220 N 0.24 1.01 -0.19 2.37 2.86 -0.93 -1.39 114.93 118.90 3i83 h MET 220 Ca 0.08 -0.07 -0.15 0.00 -2.06 0.00 0.00 59.70 57.49 3i83 h MET 220 Cb 0.27 -0.22 -0.01 0.00 0.06 0.00 0.00 31.60 31.70 3i83 h MET 220 CO 0.00 0.68 -0.52 1.96 1.06 0.00 0.00 176.91 180.09 3i83 h GLN 221 N 1.04 0.55 -0.39 1.72 1.08 -1.04 -1.56 115.11 116.51 3i83 h GLN 221 Ca 0.28 -0.33 -0.01 0.00 -1.45 0.00 0.00 58.65 57.14 3i83 h GLN 221 Cb -0.09 0.03 -0.02 0.00 -0.05 0.00 0.00 27.48 27.35 3i83 h GLN 221 CO -0.06 0.94 0.21 0.93 -0.95 0.00 0.00 178.83 179.89 3i83 h GLU 222 N 0.43 0.54 -0.66 1.46 5.08 -0.97 -1.25 114.58 119.22 3i83 h GLU 222 Ca 0.01 -0.07 0.02 0.00 -1.00 0.00 0.00 59.36 58.33 3i83 h GLU 222 Cb 1.06 -0.10 -0.04 0.00 0.50 0.00 0.00 28.75 30.16 3i83 h GLU 222 CO 0.10 0.45 0.41 0.82 -1.00 0.00 0.00 179.01 179.79 3i83 h ILE 223 N 0.49 1.10 -0.65 3.13 1.08 -0.94 -1.13 117.51 120.59 3i83 h ILE 223 Ca 0.14 -0.28 0.05 0.00 -0.39 0.00 0.00 64.86 64.38 3i83 h ILE 223 Cb 0.07 0.21 -0.05 0.00 -3.07 0.00 0.00 36.82 33.98 3i83 h ILE 223 CO -0.02 0.15 0.37 -0.09 -0.69 0.00 0.00 178.15 177.86 3i83 h ARG 224 N 0.82 0.66 -0.19 2.37 2.43 -1.13 0.08 114.38 119.41 3i83 h ARG 224 Ca 0.26 -0.04 -0.18 0.00 -0.81 0.00 0.00 59.98 59.21 3i83 h ARG 224 Cb -0.01 -0.15 -0.00 0.00 -0.42 0.00 0.00 29.97 29.39 3i83 h ARG 224 CO -0.09 0.44 -0.62 0.00 -1.51 0.00 0.00 179.97 178.19 3i83 h ALA 225 N 1.33 0.55 -0.50 2.80 0.00 -0.74 -2.41 119.26 120.29 3i83 h ALA 225 Ca 0.29 -0.54 -0.04 0.00 0.00 0.00 0.00 54.91 54.61 3i83 h ALA 225 Cb 0.16 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 17.87 3i83 h ALA 225 CO -0.17 0.70 0.14 0.28 0.00 0.00 0.00 179.25 180.19 3i83 h VAL 226 N 0.50 1.24 -0.07 0.00 2.07 -0.93 -1.36 116.25 117.70 3i83 h VAL 226 Ca -0.01 -0.81 0.03 0.00 0.82 0.00 0.00 66.70 66.73 3i83 h VAL 226 Cb 1.20 0.81 -0.04 0.00 -1.52 0.00 0.00 31.29 31.74 3i83 h VAL 226 CO 0.12 0.30 -0.15 0.00 0.02 0.00 0.00 177.57 177.85 3i83 h ALA 227 N 1.00 -0.13 -0.54 1.67 0.00 -0.86 -1.16 119.26 119.25 3i83 h ALA 227 Ca 0.16 0.03 0.04 0.00 0.00 0.00 0.00 54.91 55.14 3i83 h ALA 227 Cb 0.30 0.29 -0.04 0.00 0.00 0.00 0.00 17.79 18.34 3i83 h ALA 227 CO -0.00 -0.62 0.29 0.00 0.00 0.00 0.00 179.25 178.92 3i83 h ALA 228 N 0.78 0.70 0.00 0.00 0.00 -1.38 0.79 119.26 120.14 3i83 h ALA 228 Ca 0.07 0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.99 3i83 h ALA 228 Cb 0.32 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 18.01 3i83 h ALA 228 CO -0.20 -0.04 -0.04 0.00 0.00 0.00 0.00 179.25 178.98 3i83 h ALA 229 N 1.27 1.11 -0.31 0.00 0.00 -0.85 -0.62 119.26 119.87 3i83 h ALA 229 Ca 0.23 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.10 3i83 h ALA 229 Cb 0.11 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.89 3i83 h ALA 229 CO -0.14 0.05 0.00 0.09 0.00 0.00 0.00 179.25 179.25 3i83 n ASN 230 N -3.30 2.64 0.00 0.00 3.02 -0.48 -4.94 115.26 112.20 3i83 n ASN 230 Ca -0.02 -1.88 0.00 0.00 -0.03 0.00 0.00 54.58 52.65 3i83 n ASN 230 Cb 0.20 -0.20 0.00 0.00 -0.61 0.00 0.00 39.78 39.17 3i83 n ASN 230 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3i83 n GLY 231 N 1.33 0.66 2.64 7.41 0.00 -0.24 -5.00 105.19 112.00 3i83 n GLY 231 Ca 0.18 -0.45 -0.23 0.00 0.00 0.00 0.00 46.02 45.51 3i83 n GLY 231 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 3i83 n HIS 232 N -2.58 2.54 -1.74 1.61 8.25 0.19 -4.99 115.22 118.50 3i83 n HIS 232 Ca 0.00 -3.92 -0.39 0.00 -0.26 0.00 0.00 57.72 53.16 3i83 n HIS 232 Cb 0.00 -0.46 0.04 0.00 1.12 0.00 0.00 29.99 30.69 3i83 n HIS 232 CO 0.00 0.00 0.00 -0.35 0.64 0.00 0.00 176.34 176.63 3i83 n PRO 233 N -0.05 1.75 -3.29 -0.41 -0.04 -1.25 -3.87 135.00 127.84 3i83 n PRO 233 Ca 0.29 0.64 -0.18 0.00 -0.04 0.00 0.00 63.50 64.20 3i83 n PRO 233 Cb 0.50 -2.58 -0.00 0.00 -0.04 0.00 0.00 33.50 31.38 3i83 n PRO 233 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 3i83 s LEU 234 N -3.34 3.80 0.37 1.53 1.43 -1.26 -4.92 118.68 116.28 3i83 s LEU 234 Ca 0.71 -0.33 -0.26 0.00 -1.03 0.00 0.00 54.13 53.22 3i83 s LEU 234 Cb -0.42 -2.66 -0.11 0.00 0.03 0.00 0.00 46.19 43.03 3i83 s LEU 234 CO 0.50 -0.58 1.18 -2.65 0.23 0.00 0.00 176.35 175.03 3i83 n PRO 235 N -1.72 1.78 -0.23 1.29 -0.02 -1.26 -4.89 135.00 129.96 3i83 n PRO 235 Ca 0.04 0.63 0.12 0.00 -2.02 0.00 0.00 63.50 62.26 3i83 n PRO 235 Cb 0.59 -2.21 0.41 0.00 -0.02 0.00 0.00 33.50 32.27 3i83 n PRO 235 CO 0.00 0.00 0.00 0.93 1.98 0.00 0.00 175.50 178.41 3i83 h GLU 236 N 2.10 0.61 -0.79 -0.52 5.08 -2.05 -1.69 114.58 117.31 3i83 h GLU 236 Ca -0.45 -0.04 -0.39 0.00 -1.00 0.00 0.00 59.36 57.48 3i83 h GLU 236 Cb 1.31 -0.14 -0.23 0.00 0.50 0.00 0.00 28.75 30.19 3i83 h GLU 236 CO 0.60 0.40 0.42 -3.47 -1.00 0.00 0.00 179.01 175.96 3i83 n ASP 237 N -4.53 3.56 -0.25 1.42 4.64 -1.26 -4.67 116.55 115.46 3i83 n ASP 237 Ca 0.16 -3.60 -0.04 0.00 -1.38 0.00 0.00 54.79 49.93 3i83 n ASP 237 Cb 0.45 -0.77 0.07 0.00 -1.04 0.00 0.00 41.12 39.83 3i83 n ASP 237 CO 0.00 0.00 0.00 -0.29 -0.82 0.00 0.00 177.20 176.09 3i83 h ILE 238 N 1.22 1.13 0.22 5.18 6.09 -1.66 -0.05 117.51 129.65 3i83 h ILE 238 Ca 0.48 -0.31 -0.01 0.00 -1.37 0.00 0.00 64.86 63.65 3i83 h ILE 238 Cb 2.49 0.15 0.00 0.00 0.47 0.00 0.00 36.82 39.93 3i83 h ILE 238 CO 0.87 0.16 -0.12 0.58 -3.07 0.00 0.00 178.15 176.58 3i83 h VAL 239 N 0.90 0.75 -0.76 2.19 2.07 -1.85 -1.63 116.25 117.92 3i83 h VAL 239 Ca 0.27 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.79 3i83 h VAL 239 Cb -0.03 0.75 -0.04 0.00 -1.52 0.00 0.00 31.29 30.46 3i83 h VAL 239 CO -0.09 0.00 0.46 -0.08 0.02 0.00 0.00 177.57 177.88 3i83 h GLU 240 N -0.32 1.03 -0.33 1.57 4.57 -1.84 -1.51 114.58 117.76 3i83 h GLU 240 Ca -0.03 -0.09 0.01 0.00 -1.18 0.00 0.00 59.36 58.07 3i83 h GLU 240 Cb 0.25 -0.22 -0.02 0.00 -0.16 0.00 0.00 28.75 28.61 3i83 h GLU 240 CO 0.04 0.72 0.22 -0.22 -1.18 0.00 0.00 179.01 178.59 3i83 h LYS 241 N 1.05 0.43 -0.31 1.92 3.64 -0.77 -0.74 116.57 121.79 3i83 h LYS 241 Ca 0.28 -0.03 -0.10 0.00 -1.27 0.00 0.00 60.65 59.53 3i83 h LYS 241 Cb -0.04 -0.10 -0.01 0.00 -0.41 0.00 0.00 32.23 31.66 3i83 h LYS 241 CO -0.05 0.28 -0.21 -0.91 -2.27 0.00 0.00 179.45 176.29 3i83 h ASN 242 N 0.44 0.59 0.10 4.20 2.35 -0.96 0.18 115.58 122.47 3i83 h ASN 242 Ca 0.12 -0.19 -0.00 0.00 -0.55 0.00 0.00 56.30 55.68 3i83 h ASN 242 Cb -0.04 -0.16 0.00 0.00 0.05 0.00 0.00 38.32 38.17 3i83 h ASN 242 CO -0.03 0.80 -0.05 0.58 -1.65 0.00 0.00 177.43 177.08 3i83 h VAL 243 N 0.52 1.06 -0.57 2.81 2.07 -1.13 -1.79 116.25 119.22 3i83 h VAL 243 Ca 0.08 -0.62 -0.02 0.00 0.82 0.00 0.00 66.70 66.96 3i83 h VAL 243 Cb 0.65 1.46 -0.03 0.00 -1.52 0.00 0.00 31.29 31.85 3i83 h VAL 243 CO 0.05 0.15 0.28 0.00 0.02 0.00 0.00 177.57 178.07 3i83 h ALA 244 N 0.44 0.73 -0.21 1.67 0.00 -1.07 -1.89 119.26 118.93 3i83 h ALA 244 Ca -0.01 -0.13 -0.10 0.00 0.00 0.00 0.00 54.91 54.67 3i83 h ALA 244 Cb 0.35 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.90 3i83 h ALA 244 CO 0.02 0.29 -0.30 0.77 0.00 0.00 0.00 179.25 180.03 3i83 h SER 245 N 0.77 0.43 -0.02 0.00 0.02 -0.99 -2.91 113.55 110.85 3i83 h SER 245 Ca 0.20 -0.16 -0.15 0.00 -0.84 0.00 0.00 61.79 60.84 3i83 h SER 245 Cb 0.11 -0.12 -0.01 0.00 0.14 0.00 0.00 62.40 62.53 3i83 h SER 245 CO -0.03 0.72 -0.48 0.74 -1.14 0.00 0.00 176.83 176.64 3i83 h THR 246 N 0.37 1.31 0.00 -2.27 2.02 -1.01 -1.62 112.91 111.71 3i83 h THR 246 Ca 0.05 -1.70 0.00 0.00 0.77 0.00 0.00 66.41 65.53 3i83 h THR 246 Cb 0.72 1.67 0.00 0.00 -1.74 0.00 0.00 68.15 68.80 3i83 h THR 246 CO 0.06 0.53 0.00 1.88 0.37 0.00 0.00 175.52 178.36 3i83 h TYR 247 N 0.46 0.00 0.00 3.16 0.99 -1.16 -2.75 116.97 117.67 3i83 h TYR 247 Ca 0.02 0.00 -0.15 0.00 2.00 0.00 0.00 58.73 60.60 3i83 h TYR 247 Cb 1.01 0.00 -0.03 0.00 1.00 0.00 0.00 36.73 38.72 3i83 h TYR 247 CO 0.04 0.00 -1.86 1.63 -0.00 0.00 0.00 178.16 177.97 3i83 n LYS 248 N -2.93 0.65 -1.68 4.88 5.02 -0.95 -4.93 118.16 118.22 3i83 n LYS 248 Ca -0.01 -0.00 -0.41 0.00 -2.02 0.00 0.00 58.31 55.86 3i83 n LYS 248 Cb 0.14 -1.63 0.01 0.00 -0.02 0.00 0.00 35.03 33.53 3i83 n LYS 248 CO 0.00 0.00 0.00 -1.33 -0.52 0.00 0.00 177.40 175.55 3i83 n MET 249 N -2.60 1.86 -2.09 1.97 2.81 -0.65 -4.97 117.12 113.45 3i83 n MET 249 Ca -0.13 0.66 -0.37 0.00 -1.81 0.00 0.00 57.70 56.05 3i83 n MET 249 Cb 0.81 -2.30 0.01 0.00 -0.71 0.00 0.00 33.22 31.03 3i83 n MET 249 CO 0.00 0.00 0.00 -2.14 1.51 0.00 0.00 175.97 175.34 3i83 s PRO 250 N -2.09 3.44 -0.19 0.03 0.02 -1.26 -4.84 135.00 130.11 3i83 s PRO 250 Ca 0.60 1.90 -0.35 0.00 0.02 0.00 0.00 61.00 63.17 3i83 s PRO 250 Cb -0.53 -2.27 -0.16 0.00 0.02 0.00 0.00 34.50 31.56 3i83 s PRO 250 CO 0.59 -0.85 1.07 -2.30 -0.33 0.00 0.00 177.00 175.17 3i83 n PRO 251 N -0.86 0.00 -4.90 5.54 -0.02 -1.26 -4.90 135.00 128.59 3i83 n PRO 251 Ca 0.09 0.00 -0.27 0.00 -2.02 0.00 0.00 63.50 61.31 3i83 n PRO 251 Cb 0.48 -1.22 -0.15 0.00 -0.02 0.00 0.00 33.50 32.59 3i83 n PRO 251 CO 0.00 0.00 0.00 -0.47 1.98 0.00 0.00 175.50 177.01 3i83 s TYR 252 N 1.12 1.84 -0.32 6.00 5.04 -1.26 -4.91 117.35 124.85 3i83 s TYR 252 Ca 0.79 -0.36 -0.15 0.00 -2.44 0.00 0.00 57.07 54.91 3i83 s TYR 252 Cb -1.12 -1.16 -0.02 0.00 0.35 0.00 0.00 41.96 40.02 3i83 s TYR 252 CO 0.56 0.01 0.38 0.21 -1.34 0.00 0.00 175.55 175.36 3i83 s LYS 253 N -0.68 3.70 0.82 4.97 2.20 -1.26 -1.88 119.74 127.61 3i83 s LYS 253 Ca 0.08 -0.26 -0.11 0.00 -0.36 0.00 0.00 55.97 55.31 3i83 s LYS 253 Cb -0.08 -3.76 0.08 0.00 -1.51 0.00 0.00 37.83 32.56 3i83 s LYS 253 CO -0.00 -0.47 1.09 0.95 -0.36 0.00 0.00 175.35 176.56 3i83 s THR 254 N 2.08 3.04 0.30 3.43 -4.23 -1.26 -4.85 115.64 114.14 3i83 s THR 254 Ca 0.13 0.34 0.09 0.00 -1.18 0.00 0.00 61.69 61.07 3i83 s THR 254 Cb -0.16 -2.94 0.02 0.00 1.34 0.00 0.00 72.50 70.76 3i83 s THR 254 CO 0.11 -0.44 1.69 0.77 -0.54 0.00 0.00 174.62 176.21 3i83 h SER 255 N -1.24 0.14 -0.73 3.99 4.64 -1.96 -1.90 113.55 116.50 3i83 h SER 255 Ca -0.47 -0.06 -0.06 0.00 -0.47 0.00 0.00 61.79 60.73 3i83 h SER 255 Cb 1.26 -0.04 -0.03 0.00 -0.31 0.00 0.00 62.40 63.28 3i83 h SER 255 CO 0.56 0.60 0.23 -0.03 -0.87 0.00 0.00 176.83 177.32 3i83 h MET 256 N 0.11 1.13 -0.35 4.77 1.85 -1.92 -1.91 114.93 118.61 3i83 h MET 256 Ca 0.00 -0.24 -0.07 0.00 -0.61 0.00 0.00 59.70 58.78 3i83 h MET 256 Cb 0.88 -0.16 -0.01 0.00 0.43 0.00 0.00 31.60 32.73 3i83 h MET 256 CO 0.07 0.96 -0.05 1.25 -0.40 0.00 0.00 176.91 178.74 3i83 h LEU 257 N 1.08 0.65 -0.52 3.39 5.85 -1.72 -0.62 115.31 123.42 3i83 h LEU 257 Ca 0.24 -0.35 0.10 0.00 0.84 0.00 0.00 57.88 58.71 3i83 h LEU 257 Cb 0.30 -0.18 -0.09 0.00 0.37 0.00 0.00 40.66 41.07 3i83 h LEU 257 CO -0.01 0.85 -0.00 0.58 -0.34 0.00 0.00 178.44 179.52 3i83 h VAL 258 N 0.45 0.58 0.01 1.05 2.07 -1.24 0.17 116.25 119.35 3i83 h VAL 258 Ca 0.09 -0.04 0.00 0.00 0.82 0.00 0.00 66.70 67.58 3i83 h VAL 258 Cb 0.54 0.46 -0.01 0.00 -1.52 0.00 0.00 31.29 30.77 3i83 h VAL 258 CO 0.03 0.02 -0.03 0.44 0.02 0.00 0.00 177.57 178.05 3i83 h ASP 259 N 0.11 -0.09 -0.31 0.57 3.32 -1.28 -1.34 116.42 117.41 3i83 h ASP 259 Ca 0.26 0.01 0.05 0.00 0.02 0.00 0.00 57.03 57.37 3i83 h ASP 259 Cb 0.40 0.04 -0.04 0.00 0.22 0.00 0.00 39.33 39.95 3i83 h ASP 259 CO -0.44 -0.05 0.04 0.15 -1.72 0.00 0.00 179.24 177.22 3i83 h PHE 260 N -0.06 0.06 0.00 4.55 3.57 -0.58 -0.32 116.94 124.15 3i83 h PHE 260 Ca 0.01 0.02 -0.01 0.00 3.53 0.00 0.00 57.97 61.52 3i83 h PHE 260 Cb 0.07 0.02 -0.00 0.00 2.79 0.00 0.00 35.95 38.83 3i83 h PHE 260 CO -0.10 -0.01 -0.05 0.93 -2.23 0.00 0.00 178.31 176.85 3i83 h GLU 261 N 0.14 0.00 -0.01 1.11 5.08 -0.50 -2.49 114.58 117.91 3i83 h GLU 261 Ca 0.15 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.51 3i83 h GLU 261 Cb 0.17 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.42 3i83 h GLU 261 CO -0.21 0.05 -0.16 0.00 -1.00 0.00 0.00 179.01 177.68 3i83 n ALA 262 N -2.15 2.89 -1.19 3.43 0.00 -0.24 -4.92 120.51 118.34 3i83 n ALA 262 Ca -0.01 -0.45 -0.07 0.00 0.00 0.00 0.00 53.44 52.92 3i83 n ALA 262 Cb 0.23 -1.11 -0.03 0.00 0.00 0.00 0.00 19.45 18.54 3i83 n ALA 262 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3i83 n GLY 263 N 1.28 0.87 3.95 0.00 0.00 -0.81 -5.03 105.19 105.46 3i83 n GLY 263 Ca 0.15 -0.54 -0.25 0.00 0.00 0.00 0.00 46.02 45.38 3i83 n GLY 263 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3i83 s GLN 264 N -2.31 3.45 0.41 1.61 -0.21 -0.56 -5.03 119.66 117.02 3i83 s GLN 264 Ca 0.00 -0.60 -0.27 0.00 0.02 0.00 0.00 55.36 54.52 3i83 s GLN 264 Cb 0.00 -2.92 -0.10 0.00 1.00 0.00 0.00 33.01 30.99 3i83 s GLN 264 CO 0.00 0.47 1.38 -2.30 -2.12 0.00 0.00 175.29 172.72 3i83 n PRO 265 N -0.83 2.26 -3.72 2.91 -0.02 -1.26 -4.30 135.00 130.04 3i83 n PRO 265 Ca -0.07 0.80 -0.20 0.00 -2.02 0.00 0.00 63.50 62.01 3i83 n PRO 265 Cb 0.55 -2.53 -0.02 0.00 -0.02 0.00 0.00 33.50 31.48 3i83 n PRO 265 CO 0.00 0.00 0.00 -1.64 1.98 0.00 0.00 175.50 175.84 3i83 s MET 266 N -2.20 3.04 -0.08 -0.52 -1.94 -1.26 -4.92 119.30 111.43 3i83 s MET 266 Ca 0.58 -1.05 0.01 0.00 -1.71 0.00 0.00 55.69 53.52 3i83 s MET 266 Cb -0.49 -2.71 0.15 0.00 2.01 0.00 0.00 34.83 33.79 3i83 s MET 266 CO 0.60 0.17 1.08 0.39 -0.01 0.00 0.00 175.02 177.25 3i83 n GLU 267 N -1.47 1.41 -0.24 2.03 1.02 -1.26 -4.54 120.64 117.59 3i83 n GLU 267 Ca -0.03 -0.64 0.04 0.00 -0.02 0.00 0.00 57.16 56.51 3i83 n GLU 267 Cb 0.58 -1.36 0.16 0.00 -0.02 0.00 0.00 31.44 30.81 3i83 n GLU 267 CO 0.00 0.00 0.00 1.15 1.18 0.00 0.00 177.13 179.46 3i83 h THR 268 N 0.38 0.63 -0.18 2.62 2.02 -1.98 -1.16 112.91 115.24 3i83 h THR 268 Ca 0.10 -0.12 -0.17 0.00 0.77 0.00 0.00 66.41 66.98 3i83 h THR 268 Cb 1.24 0.24 0.01 0.00 -1.74 0.00 0.00 68.15 67.89 3i83 h THR 268 CO 0.20 0.07 -0.56 -0.33 0.37 0.00 0.00 175.52 175.27 3i83 h GLU 269 N 0.36 0.70 0.00 6.66 4.39 -1.95 -0.07 114.58 124.66 3i83 h GLU 269 Ca 0.38 -0.51 -0.16 0.00 0.34 0.00 0.00 59.36 59.42 3i83 h GLU 269 Cb 0.59 0.09 -0.02 0.00 -0.10 0.00 0.00 28.75 29.31 3i83 h GLU 269 CO -0.42 1.13 -0.79 -0.39 -1.16 0.00 0.00 179.01 177.38 3i83 h VAL 270 N 0.39 1.19 0.00 3.13 -1.51 -1.85 1.00 116.25 118.60 3i83 h VAL 270 Ca -0.02 -2.71 0.00 0.00 -1.23 0.00 0.00 66.70 62.74 3i83 h VAL 270 Cb 1.18 2.58 0.00 0.00 -2.13 0.00 0.00 31.29 32.92 3i83 h VAL 270 CO 0.12 0.68 0.00 -0.38 -1.23 0.00 0.00 177.57 176.76 3i83 n ILE 271 N -3.25 0.00 0.05 7.19 5.41 -0.46 -1.17 119.36 127.12 3i83 n ILE 271 Ca 0.00 0.33 -0.22 0.00 1.00 0.00 0.00 62.75 63.86 3i83 n ILE 271 Cb 0.83 -0.84 -0.14 0.00 -0.71 0.00 0.00 39.64 38.78 3i83 n ILE 271 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 176.55 176.80 3i83 h LEU 272 N 0.00 0.50 -0.28 1.39 5.85 -1.20 -2.82 115.31 118.76 3i83 h LEU 272 Ca 0.00 -0.90 0.02 0.00 0.84 0.00 0.00 57.88 57.84 3i83 h LEU 272 Cb 0.00 -0.16 -0.02 0.00 0.37 0.00 0.00 40.66 40.84 3i83 h LEU 272 CO 0.00 1.61 0.14 1.23 -0.34 0.00 0.00 178.44 181.09 3i83 h GLY 273 N 0.09 0.37 1.19 3.75 0.00 -0.93 -0.35 103.07 107.20 3i83 h GLY 273 Ca -0.27 -0.10 -0.05 0.00 0.00 0.00 0.00 47.33 46.91 3i83 h GLY 273 CO 0.13 0.08 0.23 3.43 0.00 0.00 0.00 176.54 180.42 3i83 h ASN 274 N 0.30 0.94 -0.51 0.19 2.35 -0.90 0.15 115.58 118.10 3i83 h ASN 274 Ca 0.11 -0.15 -0.02 0.00 -0.55 0.00 0.00 56.30 55.69 3i83 h ASN 274 Cb 0.03 -0.25 -0.02 0.00 0.05 0.00 0.00 38.32 38.13 3i83 h ASN 274 CO -0.07 0.87 0.23 0.00 -1.65 0.00 0.00 177.43 176.81 3i83 h ALA 275 N 1.26 0.66 -0.34 -0.83 0.00 -1.21 -1.15 119.26 117.67 3i83 h ALA 275 Ca 0.22 -0.13 -0.00 0.00 0.00 0.00 0.00 54.91 55.00 3i83 h ALA 275 Cb 0.25 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.82 3i83 h ALA 275 CO -0.01 0.24 0.19 0.28 0.00 0.00 0.00 179.25 179.95 3i83 h VAL 276 N 0.69 1.12 -0.35 0.00 2.07 -0.71 -1.45 116.25 117.61 3i83 h VAL 276 Ca 0.17 -0.30 -0.08 0.00 0.82 0.00 0.00 66.70 67.31 3i83 h VAL 276 Cb 0.14 0.72 -0.02 0.00 -1.52 0.00 0.00 31.29 30.61 3i83 h VAL 276 CO -0.02 0.12 -0.10 0.03 0.02 0.00 0.00 177.57 177.62 3i83 h ARG 277 N 0.43 0.61 -0.84 1.57 3.08 -0.83 0.06 114.38 118.46 3i83 h ARG 277 Ca 0.12 -0.18 -0.03 0.00 0.07 0.00 0.00 59.98 59.95 3i83 h ARG 277 Cb 0.03 -0.06 -0.04 0.00 0.08 0.00 0.00 29.97 29.98 3i83 h ARG 277 CO -0.02 0.71 0.39 0.00 -1.07 0.00 0.00 179.97 179.97 3i83 h ALA 278 N 1.33 1.11 -0.32 0.04 0.00 -1.03 -1.39 119.26 118.99 3i83 h ALA 278 Ca 0.10 -0.17 -0.09 0.00 0.00 0.00 0.00 54.91 54.76 3i83 h ALA 278 Cb 0.51 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 17.96 3i83 h ALA 278 CO 0.03 0.66 -0.14 0.78 0.00 0.00 0.00 179.25 180.59 3i83 h GLY 279 N 1.20 0.71 1.13 0.00 0.00 -0.61 -2.99 103.07 102.51 3i83 h GLY 279 Ca 0.29 -0.63 0.00 0.00 0.00 0.00 0.00 47.33 46.98 3i83 h GLY 279 CO -0.03 0.57 0.54 3.21 0.00 0.00 0.00 176.54 180.83 3i83 h ARG 280 N 0.42 1.16 0.00 4.80 3.08 -0.73 -1.20 114.38 121.92 3i83 h ARG 280 Ca 0.07 -0.09 -0.06 0.00 0.07 0.00 0.00 59.98 59.98 3i83 h ARG 280 Cb 0.66 -0.25 -0.01 0.00 0.08 0.00 0.00 29.97 30.45 3i83 h ARG 280 CO 0.04 0.80 -0.27 0.00 -1.07 0.00 0.00 179.97 179.48 3i83 h ARG 281 N 1.19 0.00 -0.44 0.04 3.08 -1.18 -2.81 114.38 114.26 3i83 h ARG 281 Ca 0.31 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.36 3i83 h ARG 281 Cb -0.08 0.00 0.00 0.00 0.08 0.00 0.00 29.97 29.97 3i83 h ARG 281 CO -0.06 0.27 0.00 0.25 -1.07 0.00 0.00 179.97 179.35 3i83 n THR 282 N -3.85 1.02 -4.14 2.04 -2.24 -1.00 -4.98 114.28 101.13 3i83 n THR 282 Ca -0.02 -1.01 -0.34 0.00 -2.27 0.00 0.00 64.05 60.41 3i83 n THR 282 Cb 0.35 0.49 -0.02 0.00 -2.10 0.00 0.00 70.33 69.05 3i83 n THR 282 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 3i83 n ARG 283 N 0.77 -3.56 -3.07 -0.78 1.74 -0.52 -4.97 116.66 106.26 3i83 n ARG 283 Ca 0.15 0.41 -0.39 0.00 -0.77 0.00 0.00 57.85 57.25 3i83 n ARG 283 Cb 0.48 -5.08 -0.05 0.00 -1.02 0.00 0.00 32.46 26.79 3i83 n ARG 283 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 3i83 s VAL 284 N -3.39 4.77 -0.09 1.55 1.01 -0.82 -5.02 120.40 118.40 3i83 s VAL 284 Ca 0.62 1.48 -0.29 0.00 0.00 0.00 0.00 61.98 63.79 3i83 s VAL 284 Cb -0.33 -4.04 -0.05 0.00 0.00 0.00 0.00 36.38 31.95 3i83 s VAL 284 CO 0.91 0.40 1.67 0.00 0.00 0.00 0.00 175.10 178.08 3i83 s ALA 285 N -0.23 3.52 -0.36 5.51 0.00 -1.26 -4.65 121.76 124.30 3i83 s ALA 285 Ca 0.35 0.85 0.14 0.00 0.00 0.00 0.00 51.96 53.30 3i83 s ALA 285 Cb -0.20 -3.78 0.45 0.00 0.00 0.00 0.00 23.12 19.59 3i83 s ALA 285 CO 0.21 -1.56 1.02 0.44 0.00 0.00 0.00 175.76 175.87 3i83 n ILE 286 N 5.74 1.52 0.14 0.00 -5.35 -1.26 -4.94 119.36 115.21 3i83 n ILE 286 Ca 0.18 -3.71 0.01 0.00 -0.27 0.00 0.00 62.75 58.96 3i83 n ILE 286 Cb 0.43 -0.00 0.35 0.00 -1.74 0.00 0.00 39.64 38.68 3i83 n ILE 286 CO 0.00 0.00 0.00 1.55 -1.76 0.00 0.00 176.55 176.34 3i83 h PRO 287 N 2.81 0.16 -0.07 6.28 0.13 -1.99 -0.39 132.00 138.94 3i83 h PRO 287 Ca 0.05 -0.05 -0.03 0.00 -0.87 0.00 0.00 66.00 65.10 3i83 h PRO 287 Cb 1.11 -0.01 -0.00 0.00 0.13 0.00 0.00 31.00 32.22 3i83 h PRO 287 CO 0.61 0.42 -0.06 0.45 -0.23 0.00 0.00 178.00 179.19 3i83 h HIS 288 N 0.15 0.19 -0.94 1.56 3.86 -1.93 -1.15 115.15 116.89 3i83 h HIS 288 Ca 0.02 -0.06 0.09 0.00 -1.16 0.00 0.00 60.37 59.26 3i83 h HIS 288 Cb 0.56 -0.04 -0.07 0.00 1.06 0.00 0.00 27.41 28.92 3i83 h HIS 288 CO 0.01 0.60 0.58 -0.07 0.86 0.00 0.00 177.93 179.91 3i83 h LEU 289 N -0.27 0.89 -0.87 2.43 3.38 -1.86 -1.22 115.31 117.79 3i83 h LEU 289 Ca 0.01 0.03 -0.08 0.00 0.09 0.00 0.00 57.88 57.93 3i83 h LEU 289 Cb 0.56 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 41.14 3i83 h LEU 289 CO 0.02 0.53 0.00 -0.33 0.09 0.00 0.00 178.44 178.75 3i83 h GLU 290 N 1.00 0.84 -0.01 1.13 4.39 -1.02 0.08 114.58 120.99 3i83 h GLU 290 Ca 0.43 -0.23 -0.00 0.00 0.34 0.00 0.00 59.36 59.90 3i83 h GLU 290 Cb 0.30 -0.09 -0.00 0.00 -0.10 0.00 0.00 28.75 28.86 3i83 h GLU 290 CO -0.22 0.84 -0.00 0.77 -1.16 0.00 0.00 179.01 179.24 3i83 h SER 291 N 0.78 0.03 -0.60 1.42 0.02 -0.60 -1.07 113.55 113.52 3i83 h SER 291 Ca 0.15 -0.36 -0.03 0.00 -0.84 0.00 0.00 61.79 60.71 3i83 h SER 291 Cb 0.47 -0.01 -0.03 0.00 0.14 0.00 0.00 62.40 62.98 3i83 h SER 291 CO 0.02 0.38 0.24 0.58 -1.14 0.00 0.00 176.83 176.91 3i83 h VAL 292 N -0.33 1.23 -0.31 2.27 2.07 -1.11 -2.02 116.25 118.05 3i83 h VAL 292 Ca 0.00 -0.71 0.00 0.00 0.82 0.00 0.00 66.70 66.81 3i83 h VAL 292 Cb 0.37 0.57 -0.02 0.00 -1.52 0.00 0.00 31.29 30.69 3i83 h VAL 292 CO 0.00 0.28 0.20 0.22 0.02 0.00 0.00 177.57 178.29 3i83 h TYR 293 N 0.84 0.39 -0.62 1.57 3.20 -0.92 -0.14 116.97 121.29 3i83 h TYR 293 Ca 0.20 0.01 0.00 0.00 3.14 0.00 0.00 58.73 62.08 3i83 h TYR 293 Cb 0.20 -0.13 -0.03 0.00 1.54 0.00 0.00 36.73 38.31 3i83 h TYR 293 CO 0.01 0.26 0.40 0.00 -1.64 0.00 0.00 178.16 177.19 3i83 h ALA 294 N 1.10 0.79 -0.59 1.82 0.00 -1.05 -0.22 119.26 121.12 3i83 h ALA 294 Ca 0.11 -0.05 -0.10 0.00 0.00 0.00 0.00 54.91 54.88 3i83 h ALA 294 Cb -0.04 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.48 3i83 h ALA 294 CO -0.02 0.23 -0.01 -0.07 0.00 0.00 0.00 179.25 179.38 3i83 h LEU 295 N 0.84 1.02 -0.61 0.00 3.38 -1.23 -1.11 115.31 117.60 3i83 h LEU 295 Ca 0.23 -0.31 0.05 0.00 0.09 0.00 0.00 57.88 57.94 3i83 h LEU 295 Cb -0.08 -0.27 -0.05 0.00 0.09 0.00 0.00 40.66 40.34 3i83 h LEU 295 CO -0.05 1.08 0.33 0.24 0.09 0.00 0.00 178.44 180.14 3i83 h MET 296 N 0.93 0.61 -0.48 1.13 2.86 -0.65 -0.24 114.93 119.09 3i83 h MET 296 Ca 0.17 -0.04 -0.06 0.00 -2.06 0.00 0.00 59.70 57.71 3i83 h MET 296 Cb 0.56 -0.14 -0.02 0.00 0.06 0.00 0.00 31.60 32.06 3i83 h MET 296 CO 0.03 0.41 0.05 0.87 1.06 0.00 0.00 176.91 179.32 3i83 h LYS 297 N 0.63 0.77 -0.13 1.72 1.79 -0.75 0.54 116.57 121.15 3i83 h LYS 297 Ca 0.27 -0.18 -0.03 0.00 -2.18 0.00 0.00 60.65 58.53 3i83 h LYS 297 Cb 0.15 -0.10 -0.00 0.00 -1.58 0.00 0.00 32.23 30.69 3i83 h LYS 297 CO -0.17 0.75 -0.02 -0.07 -1.08 0.00 0.00 179.45 178.86 3i83 h LEU 298 N 0.73 0.24 -0.61 2.94 3.38 -0.84 -0.48 115.31 120.68 3i83 h LEU 298 Ca 0.15 -0.35 0.07 0.00 0.09 0.00 0.00 57.88 57.84 3i83 h LEU 298 Cb 0.38 -0.07 -0.06 0.00 0.09 0.00 0.00 40.66 41.00 3i83 h LEU 298 CO 0.01 0.54 0.29 0.25 0.09 0.00 0.00 178.44 179.61 3i83 h LEU 299 N -0.06 0.37 -0.88 1.67 5.85 -0.87 -1.23 115.31 120.17 3i83 h LEU 299 Ca 0.03 0.05 0.02 0.00 0.84 0.00 0.00 57.88 58.83 3i83 h LEU 299 Cb 0.43 -0.01 -0.05 0.00 0.37 0.00 0.00 40.66 41.40 3i83 h LEU 299 CO 0.01 0.23 0.58 -0.33 -0.34 0.00 0.00 178.44 178.59 3i83 h GLU 300 N 0.52 1.12 -0.55 1.25 5.08 -0.75 -0.71 114.58 120.54 3i83 h GLU 300 Ca 0.29 -0.07 -0.01 0.00 -1.00 0.00 0.00 59.36 58.58 3i83 h GLU 300 Cb 0.28 -0.25 -0.03 0.00 0.50 0.00 0.00 28.75 29.25 3i83 h GLU 300 CO -0.24 0.74 0.32 1.25 -1.00 0.00 0.00 179.01 180.08 3i83 h LEU 301 N 1.15 0.68 -0.14 1.33 5.85 -0.58 0.16 115.31 123.76 3i83 h LEU 301 Ca 0.33 -0.08 -0.01 0.00 0.84 0.00 0.00 57.88 58.96 3i83 h LEU 301 Cb -0.08 -0.17 -0.01 0.00 0.37 0.00 0.00 40.66 40.77 3i83 h LEU 301 CO -0.09 0.56 0.05 -0.09 -0.34 0.00 0.00 178.44 178.54 3i83 h ARG 302 N 0.74 0.21 0.00 1.25 9.65 -0.94 -2.70 114.38 122.59 3i83 h ARG 302 Ca 0.20 -0.04 -0.02 0.00 -1.10 0.00 0.00 59.98 59.02 3i83 h ARG 302 Cb 0.02 -0.03 -0.00 0.00 -1.39 0.00 0.00 29.97 28.57 3i83 h ARG 302 CO -0.03 0.32 -0.07 1.15 2.80 0.00 0.00 179.97 184.13 3i83 h THR 303 N 0.06 1.05 0.00 0.20 2.02 -0.76 -2.47 112.91 113.01 3i83 h THR 303 Ca 0.05 -0.25 0.00 0.00 0.77 0.00 0.00 66.41 66.98 3i83 h THR 303 Cb 0.19 1.13 0.00 0.00 -1.74 0.00 0.00 68.15 67.73 3i83 h THR 303 CO -0.00 0.07 0.00 -1.54 0.37 0.00 0.00 175.52 174.42 3i83 n SER 304 N -4.45 0.30 -4.74 4.18 3.41 0.52 -4.90 113.62 107.94 3i83 n SER 304 Ca -0.03 0.55 -0.42 0.00 -0.26 0.00 0.00 58.87 58.72 3i83 n SER 304 Cb 0.15 -0.62 -0.02 0.00 -0.26 0.00 0.00 64.21 63.45 3i83 n SER 304 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 3i83 s LYS 305 N -3.09 4.24 0.35 4.33 -0.14 -0.93 -4.95 119.74 119.54 3i83 s LYS 305 Ca 0.09 2.35 -0.26 0.00 -1.36 0.00 0.00 55.97 56.79 3i83 s LYS 305 Cb 0.12 -3.11 -0.09 0.00 -1.68 0.00 0.00 37.83 33.07 3i83 s LYS 305 CO 0.42 -0.50 1.01 0.45 -0.76 0.00 0.00 175.35 175.97 3i83 s SER 306 N 0.61 7.07 0.57 2.83 0.15 -1.26 -4.94 113.70 118.73 3i83 s SER 306 Ca 0.63 1.99 0.26 0.00 0.70 0.00 0.00 55.95 59.53 3i83 s SER 306 Cb -0.43 -2.59 1.65 0.00 -1.71 0.00 0.00 66.02 62.94 3i83 s SER 306 CO 0.40 -0.26 2.19 0.25 1.20 0.00 0.00 173.24 177.02 3i83 h LEU 307 N 2.98 0.00 -1.63 3.45 5.85 -2.01 -2.13 115.31 121.82 3i83 h LEU 307 Ca -0.47 0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.24 3i83 h LEU 307 Cb 1.20 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 42.23 3i83 h LEU 307 CO 0.64 0.00 -0.03 -0.50 -0.34 0.00 0.00 178.44 178.21 3i83 h TRP 308 N 0.00 0.00 0.00 1.25 6.55 -2.01 -3.58 115.95 118.16 3i83 h TRP 308 Ca 0.03 0.00 0.00 0.00 0.95 0.00 0.00 58.89 59.87 3i83 h TRP 308 Cb 0.14 0.00 0.00 0.00 -0.86 0.00 0.00 29.16 28.44 3i83 h TRP 308 CO 0.00 0.03 0.00 0.41 -1.05 0.00 0.00 178.44 177.83