#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x01 h LEU 2 N 0.00 0.00 -0.94 3.17 3.38 -2.05 -3.48 115.31 115.39 1x01 h LEU 2 Ca 0.00 0.00 -0.36 0.00 0.09 0.00 0.00 57.88 57.61 1x01 h LEU 2 Cb 0.00 0.00 0.13 0.00 0.09 0.00 0.00 40.66 40.88 1x01 h LEU 2 CO 0.00 0.75 -0.62 0.61 0.09 0.00 0.00 178.44 179.26 1x01 n GLY 3 N 1.32 -0.40 3.77 0.83 0.00 -1.26 -4.96 105.19 104.49 1x01 n GLY 3 Ca -0.02 0.16 -0.40 0.00 0.00 0.00 0.00 46.02 45.76 1x01 n GLY 3 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1x01 s LEU 4 N -6.66 4.46 -0.07 0.99 1.43 -1.26 -4.94 118.68 112.63 1x01 s LEU 4 Ca 0.49 2.57 0.13 0.00 -1.03 0.00 0.00 54.13 56.29 1x01 s LEU 4 Cb -0.21 -3.65 0.42 0.00 0.03 0.00 0.00 46.19 42.77 1x01 s LEU 4 CO 0.66 -0.43 1.34 0.29 0.23 0.00 0.00 176.35 178.44 1x01 n LYS 5 N 0.89 2.96 -1.33 1.70 4.76 -1.26 -5.03 118.16 120.84 1x01 n LYS 5 Ca -0.00 -2.39 -0.31 0.00 -2.87 0.00 0.00 58.31 52.74 1x01 n LYS 5 Cb 0.43 -1.52 0.08 0.00 -1.84 0.00 0.00 35.03 32.18 1x01 n LYS 5 CO 0.00 0.00 0.00 0.95 -1.37 0.00 0.00 177.40 176.98 1x01 s THR 6 N -1.69 3.46 -0.13 -0.18 -4.23 -1.26 -5.01 115.64 106.60 1x01 s THR 6 Ca 0.32 0.48 -0.17 0.00 -1.18 0.00 0.00 61.69 61.14 1x01 s THR 6 Cb 0.21 -3.02 -0.25 0.00 1.34 0.00 0.00 72.50 70.78 1x01 s THR 6 CO 0.14 -0.62 0.47 0.28 -0.54 0.00 0.00 174.62 174.35 1x01 h SER 7 N -1.05 0.28 0.00 3.99 0.02 -1.95 -3.45 113.55 111.39 1x01 h SER 7 Ca -0.44 -0.80 0.00 0.00 -0.84 0.00 0.00 61.79 59.71 1x01 h SER 7 Cb 1.23 -0.09 0.00 0.00 0.14 0.00 0.00 62.40 63.68 1x01 h SER 7 CO 0.53 1.59 -0.20 -0.38 -1.14 0.00 0.00 176.83 177.22 1x01 n ILE 8 N -4.02 0.97 -2.33 3.27 5.41 -1.26 -4.82 119.36 116.58 1x01 n ILE 8 Ca -0.27 0.32 -0.43 0.00 1.00 0.00 0.00 62.75 63.37 1x01 n ILE 8 Cb 0.85 -1.56 -0.02 0.00 -0.71 0.00 0.00 39.64 38.20 1x01 n ILE 8 CO 0.00 0.00 0.00 -0.63 0.00 0.00 0.00 176.55 175.92 1x01 s ILE 9 N -2.00 3.97 0.00 1.39 1.01 -1.26 -2.65 121.20 121.67 1x01 s ILE 9 Ca 0.00 1.07 0.00 0.00 0.00 0.00 0.00 60.65 61.72 1x01 s ILE 9 Cb 0.00 -4.06 0.00 0.00 0.01 0.00 0.00 42.46 38.41 1x01 s ILE 9 CO 0.00 -0.50 0.00 0.61 0.00 0.00 0.00 174.94 175.05 1x01 n GLY 10 N 4.59 0.90 0.27 6.18 0.00 0.45 -4.71 105.19 112.87 1x01 n GLY 10 Ca 0.16 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.28 1x01 n GLY 10 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1x01 h ARG 11 N 2.90 0.00 -3.18 1.61 3.08 -1.62 -3.41 114.38 113.76 1x01 h ARG 11 Ca 0.00 0.00 -0.17 0.00 0.07 0.00 0.00 59.98 59.88 1x01 h ARG 11 Cb 0.00 0.00 -0.25 0.00 0.08 0.00 0.00 29.97 29.80 1x01 h ARG 11 CO 0.00 0.00 -0.44 1.03 -1.07 0.00 0.00 179.97 179.49 1x01 s ARG 12 N -4.96 0.29 -0.05 0.04 0.52 -1.26 -5.07 118.95 108.46 1x01 s ARG 12 Ca -0.05 0.29 0.02 0.00 -0.52 0.00 0.00 55.73 55.46 1x01 s ARG 12 Cb 0.17 0.14 0.02 0.00 0.52 0.00 0.00 34.95 35.79 1x01 s ARG 12 CO 0.64 -0.04 -0.07 0.08 0.02 0.00 0.00 175.30 175.93 1x01 s VAL 13 N 0.04 0.75 -0.25 3.52 1.01 -1.26 -0.95 120.40 123.25 1x01 s VAL 13 Ca -0.01 -0.25 -0.04 0.00 0.00 0.00 0.00 61.98 61.68 1x01 s VAL 13 Cb -0.02 -0.73 0.01 0.00 0.00 0.00 0.00 36.38 35.65 1x01 s VAL 13 CO 0.00 0.27 -0.01 -0.63 0.00 0.00 0.00 175.10 174.73 1x01 s ILE 14 N 0.79 3.36 -0.09 2.22 1.01 0.10 -4.96 121.20 123.63 1x01 s ILE 14 Ca -0.13 -0.76 -0.02 0.00 0.00 0.00 0.00 60.65 59.74 1x01 s ILE 14 Cb -0.15 -2.66 -0.03 0.00 0.01 0.00 0.00 42.46 39.63 1x01 s ILE 14 CO 0.02 0.23 0.01 -0.47 0.00 0.00 0.00 174.94 174.72 1x01 s TYR 15 N 1.43 3.17 -0.02 3.97 6.14 -1.26 -0.94 117.35 129.84 1x01 s TYR 15 Ca 0.03 0.19 0.05 0.00 0.64 0.00 0.00 57.07 57.97 1x01 s TYR 15 Cb -0.16 -1.80 -0.01 0.00 0.42 0.00 0.00 41.96 40.41 1x01 s TYR 15 CO -0.02 0.46 -0.16 -0.06 0.64 0.00 0.00 175.55 176.41 1x01 s PHE 16 N -0.83 1.51 0.19 4.97 0.40 -0.23 -4.99 117.98 118.99 1x01 s PHE 16 Ca 0.13 -0.32 -0.06 0.00 -0.60 0.00 0.00 56.93 56.08 1x01 s PHE 16 Cb -0.11 -0.98 0.10 0.00 0.51 0.00 0.00 43.02 42.53 1x01 s PHE 16 CO 0.02 -0.06 1.54 1.96 0.70 0.00 0.00 175.22 179.38 1x01 h GLN 17 N 5.87 0.73 -3.26 0.44 4.20 -1.94 -1.81 115.11 119.34 1x01 h GLN 17 Ca -0.35 -0.38 -0.16 0.00 0.06 0.00 0.00 58.65 57.82 1x01 h GLN 17 Cb 1.16 0.01 -0.24 0.00 0.30 0.00 0.00 27.48 28.71 1x01 h GLN 17 CO 0.48 1.00 -0.45 -1.21 -0.67 0.00 0.00 178.83 177.98 1x01 s GLU 18 N -4.30 0.36 0.09 1.46 2.02 -1.26 -3.51 118.70 113.56 1x01 s GLU 18 Ca -0.09 0.06 -0.17 0.00 0.02 0.00 0.00 54.97 54.79 1x01 s GLU 18 Cb 0.12 0.16 0.04 0.00 0.10 0.00 0.00 34.13 34.55 1x01 s GLU 18 CO 0.85 -0.07 0.41 -1.50 0.02 0.00 0.00 175.26 174.97 1x01 s ILE 19 N -0.44 0.06 -0.03 -1.63 2.07 -0.94 -5.01 121.20 115.28 1x01 s ILE 19 Ca -0.05 -0.52 -0.25 0.00 -1.41 0.00 0.00 60.65 58.42 1x01 s ILE 19 Cb -0.04 -1.06 -0.21 0.00 0.13 0.00 0.00 42.46 41.28 1x01 s ILE 19 CO 0.01 -0.28 1.15 0.71 -1.91 0.00 0.00 174.94 174.61 1x01 h THR 20 N 2.68 1.48 -1.86 4.00 1.35 -1.94 0.14 112.91 118.75 1x01 h THR 20 Ca -0.33 -1.57 0.05 0.00 -0.55 0.00 0.00 66.41 64.02 1x01 h THR 20 Cb 1.23 2.44 -0.22 0.00 -1.73 0.00 0.00 68.15 69.87 1x01 h THR 20 CO 0.45 0.42 0.10 -0.55 -0.25 0.00 0.00 175.52 175.70 1x01 s SER 21 N -6.03 -0.85 0.16 5.36 0.15 -1.26 -0.46 113.70 110.77 1x01 s SER 21 Ca -0.16 1.34 -0.10 0.00 0.70 0.00 0.00 55.95 57.72 1x01 s SER 21 Cb 0.02 1.42 0.02 0.00 -1.71 0.00 0.00 66.02 65.77 1x01 s SER 21 CO 0.71 -0.21 1.57 0.71 1.20 0.00 0.00 173.24 177.22 1x01 h THR 22 N 5.09 1.27 -0.43 6.45 1.35 -1.92 -2.20 112.91 122.51 1x01 h THR 22 Ca -0.28 -1.29 0.01 0.00 -0.55 0.00 0.00 66.41 64.29 1x01 h THR 22 Cb 1.21 1.05 -0.02 0.00 -1.73 0.00 0.00 68.15 68.65 1x01 h THR 22 CO 0.16 0.45 0.28 0.78 -0.25 0.00 0.00 175.52 176.95 1x01 h ASN 23 N 0.85 0.49 -0.20 5.36 4.21 -1.93 0.19 115.58 124.55 1x01 h ASN 23 Ca 0.13 -0.01 -0.00 0.00 1.21 0.00 0.00 56.30 57.62 1x01 h ASN 23 Cb 0.71 -0.12 -0.01 0.00 -1.12 0.00 0.00 38.32 37.78 1x01 h ASN 23 CO 0.05 0.35 0.11 -0.08 -1.29 0.00 0.00 177.43 176.58 1x01 h GLU 24 N 0.58 0.29 -0.91 0.81 4.57 -1.94 0.14 114.58 118.11 1x01 h GLU 24 Ca 0.16 -0.04 0.00 0.00 -1.18 0.00 0.00 59.36 58.31 1x01 h GLU 24 Cb -0.06 -0.06 -0.04 0.00 -0.16 0.00 0.00 28.75 28.43 1x01 h GLU 24 CO -0.04 0.28 0.58 0.35 -1.18 0.00 0.00 179.01 179.01 1x01 h PHE 25 N 0.22 1.16 -0.12 0.92 3.57 -1.20 -1.31 116.94 120.18 1x01 h PHE 25 Ca 0.07 0.02 -0.08 0.00 3.53 0.00 0.00 57.97 61.51 1x01 h PHE 25 Cb 0.08 -0.39 -0.01 0.00 2.79 0.00 0.00 35.95 38.42 1x01 h PHE 25 CO -0.04 0.74 -0.27 0.00 -2.23 0.00 0.00 178.31 176.52 1x01 h ALA 26 N 1.32 1.33 -0.12 2.41 0.00 -0.47 -1.55 119.26 122.20 1x01 h ALA 26 Ca 0.33 -0.30 -0.20 0.00 0.00 0.00 0.00 54.91 54.74 1x01 h ALA 26 Cb -0.11 -0.08 0.01 0.00 0.00 0.00 0.00 17.79 17.60 1x01 h ALA 26 CO -0.07 0.46 -0.69 0.87 0.00 0.00 0.00 179.25 179.82 1x01 h LYS 27 N 0.19 0.67 0.00 0.00 1.57 0.04 -3.34 116.57 115.71 1x01 h LYS 27 Ca 0.03 -0.57 0.00 0.00 -1.87 0.00 0.00 60.65 58.24 1x01 h LYS 27 Cb 0.58 0.12 0.00 0.00 0.08 0.00 0.00 32.23 33.01 1x01 h LYS 27 CO 0.04 1.18 -0.48 0.25 -0.57 0.00 0.00 179.45 179.88 1x01 n THR 28 N -4.05 0.06 -4.23 -0.16 -2.24 -0.57 -4.91 114.28 98.18 1x01 n THR 28 Ca -0.08 -0.05 -0.34 0.00 -2.27 0.00 0.00 64.05 61.31 1x01 n THR 28 Cb 0.70 0.10 -0.08 0.00 -2.10 0.00 0.00 70.33 68.95 1x01 n THR 28 CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 1x01 s SER 29 N -3.23 5.46 -0.27 3.42 0.01 -0.59 -5.05 113.70 113.45 1x01 s SER 29 Ca 0.10 0.15 -0.29 0.00 1.31 0.00 0.00 55.95 57.22 1x01 s SER 29 Cb 0.17 -1.55 -0.00 0.00 0.21 0.00 0.00 66.02 64.84 1x01 s SER 29 CO 0.69 0.33 1.31 -0.47 0.41 0.00 0.00 173.24 175.51 1x01 s TYR 30 N -1.02 2.69 0.01 2.43 5.04 -1.26 -4.89 117.35 120.34 1x01 s TYR 30 Ca 0.17 0.88 0.02 0.00 -2.44 0.00 0.00 57.07 55.70 1x01 s TYR 30 Cb -0.12 -3.84 -0.01 0.00 0.35 0.00 0.00 41.96 38.35 1x01 s TYR 30 CO 0.07 -1.76 -0.05 -0.51 -1.34 0.00 0.00 175.55 171.96 1x01 s LEU 31 N 4.26 2.06 0.64 6.97 1.43 -1.26 -5.14 118.68 127.64 1x01 s LEU 31 Ca 0.57 -0.18 -0.15 0.00 -1.03 0.00 0.00 54.13 53.33 1x01 s LEU 31 Cb -0.18 -0.21 -0.01 0.00 0.03 0.00 0.00 46.19 45.82 1x01 s LEU 31 CO 0.22 -0.00 1.10 -1.83 0.23 0.00 0.00 176.35 176.06 1x01 s GLU 32 N -0.42 2.97 0.38 1.70 -1.05 -1.26 -4.94 118.70 116.07 1x01 s GLU 32 Ca -0.01 1.35 -0.27 0.00 -0.15 0.00 0.00 54.97 55.89 1x01 s GLU 32 Cb -0.04 -1.98 -0.11 0.00 -0.44 0.00 0.00 34.13 31.57 1x01 s GLU 32 CO -0.00 -1.11 1.27 -1.91 0.95 0.00 0.00 175.26 174.46 1x01 n GLU 33 N -2.26 2.02 -0.18 -4.83 2.13 -1.26 -2.20 120.64 114.05 1x01 n GLU 33 Ca 0.10 0.71 0.00 0.00 0.66 0.00 0.00 57.16 58.63 1x01 n GLU 33 Cb 0.52 -2.34 0.00 0.00 0.27 0.00 0.00 31.44 29.90 1x01 n GLU 33 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1x01 n GLY 34 N 0.80 1.12 3.74 8.31 0.00 0.13 -4.87 105.19 114.43 1x01 n GLY 34 Ca 0.06 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.66 1x01 n GLY 34 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1x01 s THR 35 N -2.64 2.99 -0.16 2.61 2.01 -0.93 -0.41 115.64 119.10 1x01 s THR 35 Ca 0.00 0.81 -0.04 0.00 0.31 0.00 0.00 61.69 62.77 1x01 s THR 35 Cb 0.00 -3.51 -0.03 0.00 0.01 0.00 0.00 72.50 68.97 1x01 s THR 35 CO 0.00 0.12 -0.03 -0.69 -0.69 0.00 0.00 174.62 173.32 1x01 s VAL 36 N 0.21 3.88 -0.22 3.82 1.01 -0.12 -1.59 120.40 127.38 1x01 s VAL 36 Ca 0.59 -0.36 -0.06 0.00 0.00 0.00 0.00 61.98 62.15 1x01 s VAL 36 Cb -0.39 -2.71 -0.03 0.00 0.00 0.00 0.00 36.38 33.26 1x01 s VAL 36 CO 0.39 0.48 0.03 -0.63 0.00 0.00 0.00 175.10 175.37 1x01 s ILE 37 N 0.46 4.11 0.02 2.22 -1.09 0.71 0.03 121.20 127.67 1x01 s ILE 37 Ca -0.03 -0.25 0.02 0.00 -2.23 0.00 0.00 60.65 58.15 1x01 s ILE 37 Cb -0.14 -2.89 -0.02 0.00 -1.58 0.00 0.00 42.46 37.83 1x01 s ILE 37 CO 0.03 0.39 -0.06 0.54 -1.23 0.00 0.00 174.94 174.61 1x01 s VAL 38 N 1.23 0.40 0.00 2.92 0.11 -0.11 -0.29 120.40 124.67 1x01 s VAL 38 Ca 0.04 -0.77 -0.06 0.00 -2.93 0.00 0.00 61.98 58.25 1x01 s VAL 38 Cb -0.15 -0.45 -0.00 0.00 -1.53 0.00 0.00 36.38 34.26 1x01 s VAL 38 CO 0.02 -0.26 0.12 0.00 -3.33 0.00 0.00 175.10 171.65 1x01 s ALA 39 N -1.00 -0.28 0.44 1.54 0.00 -0.86 -1.07 121.76 120.54 1x01 s ALA 39 Ca -0.07 -0.16 0.11 0.00 0.00 0.00 0.00 51.96 51.84 1x01 s ALA 39 Cb -0.07 0.10 0.98 0.00 0.00 0.00 0.00 23.12 24.13 1x01 s ALA 39 CO 0.00 -0.20 2.04 -0.44 0.00 0.00 0.00 175.76 177.16 1x01 h ASP 40 N 4.39 0.19 -4.80 0.00 3.45 -1.36 -3.37 116.42 114.91 1x01 h ASP 40 Ca -0.31 -0.02 -0.03 0.00 0.43 0.00 0.00 57.03 57.11 1x01 h ASP 40 Cb 1.20 -0.05 -0.20 0.00 -0.56 0.00 0.00 39.33 39.72 1x01 h ASP 40 CO 0.41 0.23 0.27 -1.59 -1.57 0.00 0.00 179.24 176.99 1x01 s LYS 41 N -5.02 0.96 -0.11 3.56 -2.85 -1.23 -3.85 119.74 111.20 1x01 s LYS 41 Ca -0.06 0.21 -0.01 0.00 -1.00 0.00 0.00 55.97 55.11 1x01 s LYS 41 Cb 0.16 0.45 -0.03 0.00 -2.06 0.00 0.00 37.83 36.36 1x01 s LYS 41 CO 0.71 -0.30 -0.05 -0.65 0.10 0.00 0.00 175.35 175.15 1x01 s GLN 42 N -1.26 3.15 0.02 1.78 -0.21 -0.96 -2.21 119.66 119.98 1x01 s GLN 42 Ca -0.09 -0.52 0.24 0.00 0.02 0.00 0.00 55.36 55.01 1x01 s GLN 42 Cb -0.00 -2.74 0.26 0.00 1.00 0.00 0.00 33.01 31.53 1x01 s GLN 42 CO 0.07 0.50 1.23 0.25 -2.12 0.00 0.00 175.29 175.22 1x01 n THR 43 N 2.75 0.07 -2.69 -0.19 -2.24 0.51 -4.38 114.28 108.10 1x01 n THR 43 Ca -0.18 -0.08 -0.07 0.00 -2.27 0.00 0.00 64.05 61.45 1x01 n THR 43 Cb 0.53 0.33 0.06 0.00 -2.10 0.00 0.00 70.33 69.14 1x01 n THR 43 CO 0.00 0.00 0.00 0.23 -0.57 0.00 0.00 175.07 174.73 1x01 n MET 44 N -1.67 1.25 -2.34 -0.78 2.81 0.39 -5.01 117.12 111.78 1x01 n MET 44 Ca 0.04 -2.84 -0.34 0.00 -1.81 0.00 0.00 57.70 52.75 1x01 n MET 44 Cb 0.37 -0.92 -0.01 0.00 -0.71 0.00 0.00 33.22 31.95 1x01 n MET 44 CO 0.00 0.00 0.00 0.20 1.51 0.00 0.00 175.97 177.68 1x01 s GLY 45 N -2.65 2.54 0.06 3.03 0.00 -1.21 -4.62 107.32 104.47 1x01 s GLY 45 Ca 0.25 0.71 -0.09 0.00 0.00 0.00 0.00 44.72 45.58 1x01 s GLY 45 CO -0.01 1.05 0.19 -2.38 0.00 0.00 0.00 173.10 171.95 1x01 s HIS 46 N -1.91 0.10 0.63 1.90 -3.43 -1.26 -0.92 115.29 110.40 1x01 s HIS 46 Ca 0.70 -0.41 0.07 0.00 -0.80 0.00 0.00 55.06 54.63 1x01 s HIS 46 Cb -0.20 -0.04 0.11 0.00 -1.43 0.00 0.00 32.58 31.01 1x01 s HIS 46 CO 0.25 -0.48 0.87 0.20 -2.00 0.00 0.00 174.74 173.59 1x01 s GLY 47 N -2.41 1.71 0.21 -1.38 0.00 0.13 -4.65 107.32 100.94 1x01 s GLY 47 Ca -0.01 -2.12 -0.10 0.00 0.00 0.00 0.00 44.72 42.50 1x01 s GLY 47 CO -0.07 -1.59 1.70 -0.09 0.00 0.00 0.00 173.10 173.06 1x01 h ARG 48 N -0.07 0.25 -0.72 2.90 2.43 -1.87 1.01 114.38 118.31 1x01 h ARG 48 Ca -0.30 -0.02 -0.17 0.00 -0.81 0.00 0.00 59.98 58.68 1x01 h ARG 48 Cb 1.28 -0.06 -0.10 0.00 -0.42 0.00 0.00 29.97 30.67 1x01 h ARG 48 CO 0.39 0.17 0.22 1.28 -1.51 0.00 0.00 179.97 180.52 1x01 n LEU 49 N -5.13 6.07 -0.04 3.80 4.77 -1.26 -4.88 117.00 120.33 1x01 n LEU 49 Ca 0.09 -3.14 -0.00 0.00 -0.03 0.00 0.00 56.01 52.92 1x01 n LEU 49 Cb 0.32 -0.74 -0.00 0.00 -2.33 0.00 0.00 43.42 40.67 1x01 n LEU 49 CO 0.17 0.77 -0.00 0.59 -1.33 0.00 0.00 177.39 177.58 1x01 n ASN 50 N 0.04 -4.14 -4.74 -1.43 3.02 0.35 -4.99 115.26 103.37 1x01 n ASN 50 Ca 0.38 0.01 -0.41 0.00 -0.03 0.00 0.00 54.58 54.54 1x01 n ASN 50 Cb 1.36 -1.68 -0.05 0.00 -0.61 0.00 0.00 39.78 38.79 1x01 n ASN 50 CO 0.00 0.00 0.00 -0.13 -2.62 0.00 0.00 177.26 174.51 1x01 s ARG 51 N -0.88 4.73 -0.12 3.52 0.52 -1.26 -4.66 118.95 120.81 1x01 s ARG 51 Ca 0.00 1.42 -0.38 0.00 -0.52 0.00 0.00 55.73 56.25 1x01 s ARG 51 Cb 0.00 -3.34 -0.15 0.00 0.52 0.00 0.00 34.95 31.98 1x01 s ARG 51 CO 0.00 0.34 1.66 1.17 0.02 0.00 0.00 175.30 178.49 1x01 n LYS 52 N 2.27 1.41 -3.55 3.54 4.81 -1.26 0.20 118.16 125.58 1x01 n LYS 52 Ca 0.00 0.51 -0.38 0.00 -0.87 0.00 0.00 58.31 57.57 1x01 n LYS 52 Cb 0.48 -2.22 -0.10 0.00 0.02 0.00 0.00 35.03 33.21 1x01 n LYS 52 CO 0.00 0.00 0.00 -0.46 1.17 0.00 0.00 177.40 178.11 1x01 s TRP 53 N 2.68 3.25 -0.03 5.64 -0.11 -0.09 -4.77 118.94 125.51 1x01 s TRP 53 Ca 0.92 0.23 -0.30 0.00 1.22 0.00 0.00 56.10 58.18 1x01 s TRP 53 Cb -0.95 -2.41 -0.06 0.00 -1.50 0.00 0.00 33.47 28.56 1x01 s TRP 53 CO 0.56 -0.12 1.53 -1.21 -4.62 0.00 0.00 176.95 173.09 1x01 s GLU 54 N 1.67 4.22 -0.51 5.86 0.41 -1.26 -4.10 118.70 124.99 1x01 s GLU 54 Ca 0.10 2.08 0.08 0.00 -0.41 0.00 0.00 54.97 56.81 1x01 s GLU 54 Cb -0.15 -3.76 0.31 0.00 -1.78 0.00 0.00 34.13 28.75 1x01 s GLU 54 CO 0.09 -0.72 0.79 0.43 -0.49 0.00 0.00 175.26 175.36 1x01 n SER 55 N 6.23 2.71 -4.86 -0.19 7.64 -1.26 -5.07 113.62 118.82 1x01 n SER 55 Ca 0.15 -3.31 -0.29 0.00 1.01 0.00 0.00 58.87 56.43 1x01 n SER 55 Cb 0.43 -0.61 0.09 0.00 -1.01 0.00 0.00 64.21 63.11 1x01 n SER 55 CO 0.00 0.00 0.00 -2.16 -3.01 0.00 0.00 175.04 169.87 1x01 s PRO 56 N -2.67 1.98 0.44 1.43 0.04 -1.26 -2.27 135.00 132.68 1x01 s PRO 56 Ca 0.43 0.26 -0.26 0.00 0.04 0.00 0.00 61.00 61.48 1x01 s PRO 56 Cb 0.26 -1.94 -0.09 0.00 0.04 0.00 0.00 34.50 32.77 1x01 s PRO 56 CO -0.09 -1.61 1.39 0.39 0.04 0.00 0.00 177.00 177.12 1x01 n GLU 57 N -3.36 2.20 0.00 4.56 1.02 -1.25 -2.77 120.64 121.04 1x01 n GLU 57 Ca 0.07 0.78 0.00 0.00 -0.02 0.00 0.00 57.16 58.00 1x01 n GLU 57 Cb 0.59 -2.56 0.00 0.00 -0.02 0.00 0.00 31.44 29.45 1x01 n GLU 57 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1x01 n GLY 58 N 0.63 2.53 3.99 0.62 0.00 -1.26 -4.13 105.19 107.57 1x01 n GLY 58 Ca 0.05 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.86 1x01 n GLY 58 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1x01 s GLY 59 N -2.32 1.83 -0.40 -0.02 0.00 -1.11 -1.28 107.32 104.01 1x01 s GLY 59 Ca 0.00 -1.52 -0.08 0.00 0.00 0.00 0.00 44.72 43.13 1x01 s GLY 59 CO 0.00 -1.18 0.22 -2.27 0.00 0.00 0.00 173.10 169.87 1x01 s LEU 60 N -4.76 5.00 -0.29 0.66 2.96 -0.14 -4.90 118.68 117.21 1x01 s LEU 60 Ca 0.59 -1.52 -0.00 0.00 -0.22 0.00 0.00 54.13 52.98 1x01 s LEU 60 Cb -0.09 -1.94 0.05 0.00 0.50 0.00 0.00 46.19 44.72 1x01 s LEU 60 CO 0.39 -0.50 -0.04 0.26 -1.32 0.00 0.00 176.35 175.14 1x01 s TRP 61 N 1.38 3.27 0.15 5.38 0.52 -1.26 -0.93 118.94 127.45 1x01 s TRP 61 Ca 0.03 -2.05 -0.08 0.00 0.02 0.00 0.00 56.10 54.02 1x01 s TRP 61 Cb -0.22 -2.06 -0.01 0.00 -1.15 0.00 0.00 33.47 30.03 1x01 s TRP 61 CO 0.01 -0.83 0.24 -0.48 0.02 0.00 0.00 176.95 175.90 1x01 s LEU 62 N 1.20 1.15 0.00 2.99 0.05 -0.79 -2.03 118.68 121.26 1x01 s LEU 62 Ca -0.06 -0.89 0.01 0.00 0.05 0.00 0.00 54.13 53.23 1x01 s LEU 62 Cb -0.20 1.03 -0.01 0.00 -2.05 0.00 0.00 46.19 44.96 1x01 s LEU 62 CO -0.03 -0.85 -0.04 -0.44 -0.55 0.00 0.00 176.35 174.45 1x01 s SER 63 N -2.97 0.48 -0.08 1.48 0.01 0.61 -0.89 113.70 112.34 1x01 s SER 63 Ca 0.16 -0.16 0.05 0.00 1.31 0.00 0.00 55.95 57.31 1x01 s SER 63 Cb 0.04 -0.03 -0.00 0.00 0.21 0.00 0.00 66.02 66.24 1x01 s SER 63 CO -0.01 -0.01 -0.24 -0.63 0.41 0.00 0.00 173.24 172.76 1x01 s ILE 64 N -0.35 1.98 -0.17 1.44 1.01 0.69 -0.20 121.20 125.61 1x01 s ILE 64 Ca -0.01 -1.00 -0.20 0.00 0.00 0.00 0.00 60.65 59.44 1x01 s ILE 64 Cb -0.03 -1.70 -0.03 0.00 0.01 0.00 0.00 42.46 40.71 1x01 s ILE 64 CO -0.00 0.55 0.56 -0.69 0.00 0.00 0.00 174.94 175.36 1x01 s VAL 65 N 0.11 5.09 0.10 2.92 1.01 -0.62 -0.58 120.40 128.43 1x01 s VAL 65 Ca -0.11 1.07 0.02 0.00 0.00 0.00 0.00 61.98 62.97 1x01 s VAL 65 Cb -0.16 -3.89 -0.04 0.00 0.00 0.00 0.00 36.38 32.30 1x01 s VAL 65 CO 0.06 0.20 -0.08 -0.76 0.00 0.00 0.00 175.10 174.52 1x01 s LEU 66 N 1.40 2.47 -0.41 3.92 1.43 0.62 0.19 118.68 128.31 1x01 s LEU 66 Ca 0.27 -0.94 0.09 0.00 -1.03 0.00 0.00 54.13 52.53 1x01 s LEU 66 Cb -0.16 -0.14 0.32 0.00 0.03 0.00 0.00 46.19 46.24 1x01 s LEU 66 CO 0.11 -0.40 0.84 -0.24 0.23 0.00 0.00 176.35 176.89 1x01 n SER 67 N 0.17 -0.61 -4.69 2.29 2.88 -1.26 0.14 113.62 112.53 1x01 n SER 67 Ca -0.13 -3.21 -0.51 0.00 -1.33 0.00 0.00 58.87 53.68 1x01 n SER 67 Cb 0.60 0.41 -0.05 0.00 -0.75 0.00 0.00 64.21 64.41 1x01 n SER 67 CO 0.00 0.00 0.00 -0.81 -1.23 0.00 0.00 175.04 173.00 1x01 n PRO 68 N 0.60 1.85 -1.83 -1.46 -0.04 -1.26 -4.87 135.00 127.98 1x01 n PRO 68 Ca 0.17 0.68 -0.40 0.00 -0.04 0.00 0.00 63.50 63.90 1x01 n PRO 68 Cb 0.65 -2.47 -0.01 0.00 -0.04 0.00 0.00 33.50 31.63 1x01 n PRO 68 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 1x01 n LYS 69 N 6.05 4.03 -4.41 0.54 4.76 -1.26 -4.90 118.16 122.97 1x01 n LYS 69 Ca 0.23 -3.03 -0.21 0.00 -2.87 0.00 0.00 58.31 52.44 1x01 n LYS 69 Cb 0.24 -2.79 -0.10 0.00 -1.84 0.00 0.00 35.03 30.54 1x01 n LYS 69 CO 0.00 0.00 0.00 0.14 -1.37 0.00 0.00 177.40 176.17 1x01 s VAL 70 N 0.45 1.71 0.70 -0.18 -7.23 -1.26 -5.09 120.40 109.50 1x01 s VAL 70 Ca 0.56 -2.16 -0.16 0.00 -1.81 0.00 0.00 61.98 58.40 1x01 s VAL 70 Cb 0.16 -2.34 -0.03 0.00 0.56 0.00 0.00 36.38 34.74 1x01 s VAL 70 CO -0.07 -0.38 0.69 -2.65 -0.31 0.00 0.00 175.10 172.38 1x01 n PRO 71 N -0.53 0.43 -0.11 4.82 -0.02 -1.26 -4.84 135.00 133.49 1x01 n PRO 71 Ca -0.06 0.19 -0.07 0.00 -2.02 0.00 0.00 63.50 61.53 1x01 n PRO 71 Cb 0.62 -1.96 -0.01 0.00 -0.02 0.00 0.00 33.50 32.13 1x01 n PRO 71 CO 0.00 0.00 0.00 0.37 1.98 0.00 0.00 175.50 177.85 1x01 h GLN 72 N -0.21 -0.23 -1.19 -0.52 5.75 -2.00 -2.44 115.11 114.27 1x01 h GLN 72 Ca -0.46 0.02 0.36 0.00 -0.15 0.00 0.00 58.65 58.41 1x01 h GLN 72 Cb 1.35 0.05 -0.11 0.00 1.07 0.00 0.00 27.48 29.84 1x01 h GLN 72 CO 0.45 -0.16 0.77 1.57 -2.65 0.00 0.00 178.83 178.81 1x01 h LYS 73 N -0.24 0.21 0.00 1.69 2.10 -2.05 -0.51 116.57 117.77 1x01 h LYS 73 Ca 0.17 -0.01 -0.17 0.00 -2.00 0.00 0.00 60.65 58.64 1x01 h LYS 73 Cb 0.52 -0.05 -0.02 0.00 -0.90 0.00 0.00 32.23 31.78 1x01 h LYS 73 CO -0.51 0.14 -0.79 -0.44 -2.00 0.00 0.00 179.45 175.85 1x01 h ASP 74 N 0.22 0.00 -0.98 7.07 3.32 -1.78 -3.35 116.42 120.92 1x01 h ASP 74 Ca 0.71 0.00 0.32 0.00 0.02 0.00 0.00 57.03 58.08 1x01 h ASP 74 Cb 2.09 0.00 -0.18 0.00 0.22 0.00 0.00 39.33 41.46 1x01 h ASP 74 CO -0.35 0.79 0.20 0.18 -1.72 0.00 0.00 179.24 178.34 1x01 n LEU 75 N -3.59 0.04 0.33 1.55 7.99 -0.20 -0.56 117.00 122.57 1x01 n LEU 75 Ca -0.01 1.65 0.22 0.00 -0.01 0.00 0.00 56.01 57.86 1x01 n LEU 75 Cb 0.77 -0.67 1.17 0.00 -0.11 0.00 0.00 43.42 44.57 1x01 n LEU 75 CO 0.44 -1.73 1.18 -0.65 -1.51 0.00 0.00 177.39 175.12 1x01 h PRO 76 N 0.00 0.00 0.00 3.23 0.11 -1.76 -2.92 132.00 130.66 1x01 h PRO 76 Ca 0.68 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.79 1x01 h PRO 76 Cb 1.57 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.68 1x01 h PRO 76 CO -0.86 0.00 0.00 1.63 -0.21 0.00 0.00 178.00 178.56 1x01 n LYS 77 N -3.17 0.69 -0.30 1.05 5.02 0.28 -3.91 118.16 117.81 1x01 n LYS 77 Ca -0.03 0.01 0.04 0.00 -2.02 0.00 0.00 58.31 56.31 1x01 n LYS 77 Cb 0.09 -1.50 0.24 0.00 -0.02 0.00 0.00 35.03 33.84 1x01 n LYS 77 CO 0.00 0.00 0.00 0.82 -0.52 0.00 0.00 177.40 177.70 1x01 h ILE 78 N 0.00 1.07 -0.70 -0.18 1.08 -1.69 -1.82 117.51 115.27 1x01 h ILE 78 Ca 0.00 -0.35 0.08 0.00 -0.39 0.00 0.00 64.86 64.20 1x01 h ILE 78 Cb 0.12 -0.05 -0.04 0.00 -3.07 0.00 0.00 36.82 33.77 1x01 h ILE 78 CO 0.00 0.19 0.46 1.62 -0.69 0.00 0.00 178.15 179.73 1x01 h VAL 79 N 1.03 0.96 0.00 1.67 3.04 -1.86 -1.02 116.25 120.08 1x01 h VAL 79 Ca 0.38 -0.22 -0.08 0.00 -1.01 0.00 0.00 66.70 65.77 1x01 h VAL 79 Cb 0.18 0.27 -0.01 0.00 -2.01 0.00 0.00 31.29 29.72 1x01 h VAL 79 CO -0.14 0.12 -0.40 -0.26 -1.01 0.00 0.00 177.57 175.87 1x01 h PHE 80 N 0.64 0.00 -0.53 3.17 0.04 -1.59 -2.02 116.94 116.65 1x01 h PHE 80 Ca 0.32 0.00 -0.04 0.00 2.80 0.00 0.00 57.97 61.04 1x01 h PHE 80 Cb 0.40 0.00 -0.02 0.00 2.20 0.00 0.00 35.95 38.53 1x01 h PHE 80 CO -0.00 0.40 0.16 -0.07 -0.60 0.00 0.00 178.31 178.20 1x01 h LEU 81 N 0.00 0.78 -0.12 1.54 3.38 -1.16 0.11 115.31 119.85 1x01 h LEU 81 Ca -0.00 -0.21 -0.01 0.00 0.09 0.00 0.00 57.88 57.75 1x01 h LEU 81 Cb 0.78 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 41.32 1x01 h LEU 81 CO 0.05 0.79 0.05 1.23 0.09 0.00 0.00 178.44 180.65 1x01 h GLY 82 N 0.73 0.18 0.92 0.83 0.00 -1.33 0.05 103.07 104.46 1x01 h GLY 82 Ca 0.17 -0.10 0.01 0.00 0.00 0.00 0.00 47.33 47.41 1x01 h GLY 82 CO -0.00 0.09 0.06 0.00 0.00 0.00 0.00 176.54 176.69 1x01 h ALA 83 N 0.91 0.15 -0.66 3.60 0.00 -1.19 -1.71 119.26 120.36 1x01 h ALA 83 Ca 0.04 0.01 -0.06 0.00 0.00 0.00 0.00 54.91 54.90 1x01 h ALA 83 Cb 0.15 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 17.90 1x01 h ALA 83 CO -0.00 -0.38 0.19 0.28 0.00 0.00 0.00 179.25 179.33 1x01 h VAL 84 N 0.13 1.26 -0.67 0.00 2.07 -0.92 -1.68 116.25 116.43 1x01 h VAL 84 Ca 0.06 -0.90 0.06 0.00 0.82 0.00 0.00 66.70 66.73 1x01 h VAL 84 Cb 0.02 0.58 -0.06 0.00 -1.52 0.00 0.00 31.29 30.31 1x01 h VAL 84 CO -0.05 0.35 0.37 1.23 0.02 0.00 0.00 177.57 179.49 1x01 h GLY 85 N 0.98 0.99 0.97 2.17 0.00 -0.68 0.22 103.07 107.71 1x01 h GLY 85 Ca 0.21 -0.25 -0.01 0.00 0.00 0.00 0.00 47.33 47.28 1x01 h GLY 85 CO -0.00 0.15 0.22 -2.08 0.00 0.00 0.00 176.54 174.83 1x01 h VAL 86 N 0.68 1.16 -0.59 4.60 2.07 -1.03 -1.69 116.25 121.45 1x01 h VAL 86 Ca 0.30 -0.41 0.03 0.00 0.82 0.00 0.00 66.70 67.44 1x01 h VAL 86 Cb 0.20 0.67 -0.04 0.00 -1.52 0.00 0.00 31.29 30.61 1x01 h VAL 86 CO -0.19 0.16 0.36 0.58 0.02 0.00 0.00 177.57 178.50 1x01 h VAL 87 N 0.53 1.06 -0.61 2.57 2.07 -0.34 0.50 116.25 122.04 1x01 h VAL 87 Ca 0.14 -0.24 -0.06 0.00 0.82 0.00 0.00 66.70 67.37 1x01 h VAL 87 Cb 0.06 0.30 -0.03 0.00 -1.52 0.00 0.00 31.29 30.11 1x01 h VAL 87 CO -0.02 0.13 0.14 -0.33 0.02 0.00 0.00 177.57 177.51 1x01 h GLU 88 N 0.70 0.95 -0.19 1.57 5.08 -0.79 -1.22 114.58 120.68 1x01 h GLU 88 Ca 0.24 -0.21 -0.04 0.00 -1.00 0.00 0.00 59.36 58.34 1x01 h GLU 88 Cb 0.03 -0.13 -0.01 0.00 0.50 0.00 0.00 28.75 29.14 1x01 h GLU 88 CO -0.10 0.85 -0.05 1.15 -1.00 0.00 0.00 179.01 179.86 1x01 h THR 89 N 0.91 1.29 -0.73 1.13 2.02 -0.83 -2.38 112.91 114.33 1x01 h THR 89 Ca 0.19 -1.02 0.05 0.00 0.77 0.00 0.00 66.41 66.40 1x01 h THR 89 Cb 0.33 1.56 -0.05 0.00 -1.74 0.00 0.00 68.15 68.26 1x01 h THR 89 CO 0.00 0.31 0.44 -0.07 0.37 0.00 0.00 175.52 176.57 1x01 h LEU 90 N 0.09 0.69 -1.01 2.58 3.38 -0.71 -1.72 115.31 118.61 1x01 h LEU 90 Ca 0.05 0.01 -0.01 0.00 0.09 0.00 0.00 57.88 58.03 1x01 h LEU 90 Cb 0.49 -0.13 -0.04 0.00 0.09 0.00 0.00 40.66 41.06 1x01 h LEU 90 CO 0.02 0.46 0.54 0.50 0.09 0.00 0.00 178.44 180.05 1x01 h LYS 91 N 0.83 1.22 0.00 1.13 3.64 -0.75 0.70 116.57 123.32 1x01 h LYS 91 Ca 0.31 -0.11 -0.00 0.00 -1.27 0.00 0.00 60.65 59.58 1x01 h LYS 91 Cb 0.11 -0.25 -0.00 0.00 -0.41 0.00 0.00 32.23 31.67 1x01 h LYS 91 CO -0.15 0.85 -0.01 0.93 -2.27 0.00 0.00 179.45 178.81 1x01 h GLU 92 N 1.24 0.00 -0.54 1.90 5.08 -0.78 -0.35 114.58 121.12 1x01 h GLU 92 Ca 0.32 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.68 1x01 h GLU 92 Cb -0.05 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.20 1x01 h GLU 92 CO -0.06 0.01 0.00 1.19 -1.00 0.00 0.00 179.01 179.15 1x01 n PHE 93 N -3.94 1.89 -2.82 4.33 3.01 -0.19 -4.93 117.46 114.81 1x01 n PHE 93 Ca -0.03 -0.74 -0.16 0.00 1.01 0.00 0.00 57.45 57.54 1x01 n PHE 93 Cb 0.09 -0.47 0.03 0.00 -0.01 0.00 0.00 39.48 39.12 1x01 n PHE 93 CO 0.00 0.00 0.00 0.43 1.01 0.00 0.00 176.76 178.20 1x01 n SER 94 N 0.51 -4.75 -4.09 4.37 7.64 -0.14 -5.02 113.62 112.14 1x01 n SER 94 Ca 0.27 -0.21 -0.28 0.00 1.01 0.00 0.00 58.87 59.66 1x01 n SER 94 Cb 1.14 -3.59 -0.17 0.00 -1.01 0.00 0.00 64.21 60.58 1x01 n SER 94 CO 0.00 0.00 0.00 -0.63 -3.01 0.00 0.00 175.04 171.40 1x01 s ILE 95 N -3.00 1.48 -0.80 0.44 1.01 0.06 -4.99 121.20 115.40 1x01 s ILE 95 Ca 0.22 -0.67 -0.16 0.00 0.00 0.00 0.00 60.65 60.04 1x01 s ILE 95 Cb -0.10 -1.32 0.17 0.00 0.01 0.00 0.00 42.46 41.22 1x01 s ILE 95 CO 0.28 0.43 0.85 -0.62 0.00 0.00 0.00 174.94 175.88 1x01 s ASP 96 N 0.62 6.59 0.09 3.58 2.15 -1.26 -2.23 116.67 126.20 1x01 s ASP 96 Ca -0.15 -2.22 -0.16 0.00 0.43 0.00 0.00 52.55 50.45 1x01 s ASP 96 Cb -0.16 -2.28 -0.07 0.00 -0.30 0.00 0.00 42.92 40.11 1x01 s ASP 96 CO 0.05 -0.83 0.52 -0.83 -0.17 0.00 0.00 175.17 173.90 1x01 s GLY 97 N 2.95 2.53 -0.02 2.66 0.00 -1.26 -4.56 107.32 109.62 1x01 s GLY 97 Ca 0.20 -0.10 0.06 0.00 0.00 0.00 0.00 44.72 44.88 1x01 s GLY 97 CO -0.06 0.24 -0.21 0.50 0.00 0.00 0.00 173.10 173.58 1x01 s ARG 98 N -1.48 1.69 -0.09 2.90 0.52 0.19 -4.89 118.95 117.79 1x01 s ARG 98 Ca 0.31 -0.74 -0.30 0.00 -0.52 0.00 0.00 55.73 54.48 1x01 s ARG 98 Cb -0.17 -1.64 -0.02 0.00 0.52 0.00 0.00 34.95 33.64 1x01 s ARG 98 CO 0.18 0.45 1.13 0.42 0.02 0.00 0.00 175.30 177.50 1x01 s ILE 99 N -0.48 4.46 -0.50 1.52 1.01 0.17 -0.26 121.20 127.12 1x01 s ILE 99 Ca 0.08 1.76 -0.17 0.00 0.00 0.00 0.00 60.65 62.32 1x01 s ILE 99 Cb -0.08 -4.13 0.08 0.00 0.01 0.00 0.00 42.46 38.34 1x01 s ILE 99 CO -0.01 -0.02 0.48 -0.75 0.00 0.00 0.00 174.94 174.64 1x01 s LYS 100 N 2.32 3.02 0.20 2.79 2.20 0.96 -1.38 119.74 129.84 1x01 s LYS 100 Ca 0.52 -1.30 -0.31 0.00 -0.36 0.00 0.00 55.97 54.52 1x01 s LYS 100 Cb -0.22 -4.16 -0.16 0.00 -1.51 0.00 0.00 37.83 31.79 1x01 s LYS 100 CO 0.19 -1.15 1.04 1.87 -0.36 0.00 0.00 175.35 176.95 1x01 n TRP 101 N 5.49 1.05 0.43 4.03 -0.00 -1.26 -2.18 117.44 124.99 1x01 n TRP 101 Ca -0.11 0.74 0.07 0.00 -0.00 0.00 0.00 57.50 58.20 1x01 n TRP 101 Cb 0.43 -2.22 -0.10 0.00 -0.00 0.00 0.00 31.31 29.42 1x01 n TRP 101 CO 0.00 0.00 0.00 -0.35 -0.00 0.00 0.00 177.69 177.34 1x01 n PRO 102 N 1.40 1.40 -0.01 5.87 -0.04 -1.26 -4.81 135.00 137.55 1x01 n PRO 102 Ca 0.14 -0.06 0.00 0.00 -0.04 0.00 0.00 63.50 63.55 1x01 n PRO 102 Cb 0.26 -1.28 0.00 0.00 -0.04 0.00 0.00 33.50 32.44 1x01 n PRO 102 CO 0.00 0.00 0.00 0.27 -0.04 0.00 0.00 175.50 175.73 1x01 n ASN 103 N -1.63 1.28 -4.48 3.54 6.94 -1.17 -4.64 115.26 115.09 1x01 n ASN 103 Ca 0.01 -1.66 -0.26 0.00 -0.02 0.00 0.00 54.58 52.65 1x01 n ASN 103 Cb 0.30 -0.01 -0.10 0.00 -2.36 0.00 0.00 39.78 37.61 1x01 n ASN 103 CO 0.00 0.00 0.00 -1.81 -1.03 0.00 0.00 177.26 174.42 1x01 s ASP 104 N -0.67 3.71 -0.09 0.53 1.01 -0.93 -0.56 116.67 119.67 1x01 s ASP 104 Ca 0.00 -0.84 0.04 0.00 0.71 0.00 0.00 52.55 52.46 1x01 s ASP 104 Cb 0.00 -0.40 -0.00 0.00 1.01 0.00 0.00 42.92 43.53 1x01 s ASP 104 CO 0.00 0.09 -0.23 -0.69 0.21 0.00 0.00 175.17 174.55 1x01 s VAL 105 N -1.96 2.16 0.16 -1.27 1.01 -0.79 -0.03 120.40 119.69 1x01 s VAL 105 Ca 0.25 -0.99 0.10 0.00 0.00 0.00 0.00 61.98 61.33 1x01 s VAL 105 Cb -0.07 -1.82 -0.04 0.00 0.00 0.00 0.00 36.38 34.45 1x01 s VAL 105 CO 0.13 0.56 -0.22 -0.76 0.00 0.00 0.00 175.10 174.81 1x01 s LEU 106 N 0.22 2.40 -0.20 3.92 1.43 0.64 -1.25 118.68 125.85 1x01 s LEU 106 Ca -0.15 -0.83 0.00 0.00 -1.03 0.00 0.00 54.13 52.13 1x01 s LEU 106 Cb -0.17 -1.02 0.05 0.00 0.03 0.00 0.00 46.19 45.08 1x01 s LEU 106 CO 0.07 0.06 -0.06 -0.69 0.23 0.00 0.00 176.35 175.97 1x01 s VAL 107 N -1.66 1.34 -1.41 -1.59 1.01 0.28 0.57 120.40 118.94 1x01 s VAL 107 Ca 0.16 -0.91 -0.07 0.00 0.00 0.00 0.00 61.98 61.16 1x01 s VAL 107 Cb -0.08 -1.54 0.04 0.00 0.00 0.00 0.00 36.38 34.80 1x01 s VAL 107 CO 0.08 0.05 0.91 0.59 0.00 0.00 0.00 175.10 176.72 1x01 n ASN 108 N 4.77 -3.52 0.00 3.32 3.02 -1.26 -1.30 115.26 120.29 1x01 n ASN 108 Ca -0.12 -0.76 0.00 0.00 -0.03 0.00 0.00 54.58 53.67 1x01 n ASN 108 Cb 0.46 -4.16 0.00 0.00 -0.61 0.00 0.00 39.78 35.47 1x01 n ASN 108 CO 0.00 0.00 0.00 -1.22 -2.62 0.00 0.00 177.26 173.42 1x01 n TYR 109 N -4.55 0.00 -4.09 3.10 4.01 -1.26 -4.99 117.16 109.37 1x01 n TYR 109 Ca -0.11 0.00 -0.34 0.00 -0.16 0.00 0.00 57.90 57.29 1x01 n TYR 109 Cb 0.59 -1.25 -0.10 0.00 -0.31 0.00 0.00 39.34 38.27 1x01 n TYR 109 CO 0.00 0.00 0.00 0.15 -0.46 0.00 0.00 176.86 176.55 1x01 s LYS 110 N -1.22 3.90 0.01 -0.72 1.02 -0.42 -5.02 119.74 117.30 1x01 s LYS 110 Ca 0.00 -0.38 -0.30 0.00 0.02 0.00 0.00 55.97 55.31 1x01 s LYS 110 Cb 0.00 -3.15 -0.07 0.00 -0.52 0.00 0.00 37.83 34.10 1x01 s LYS 110 CO 0.00 0.28 1.62 0.21 -0.92 0.00 0.00 175.35 176.54 1x01 s LYS 111 N 0.34 4.20 -0.01 1.68 2.20 -1.26 -0.56 119.74 126.34 1x01 s LYS 111 Ca 0.02 2.23 0.04 0.00 -0.36 0.00 0.00 55.97 57.90 1x01 s LYS 111 Cb -0.13 -3.75 -0.07 0.00 -1.51 0.00 0.00 37.83 32.37 1x01 s LYS 111 CO 0.01 -0.76 0.09 1.51 -0.36 0.00 0.00 175.35 175.84 1x01 n ILE 112 N 5.01 0.04 -3.72 5.43 3.06 -0.38 -1.37 119.36 127.43 1x01 n ILE 112 Ca 0.16 -0.11 -0.12 0.00 -2.50 0.00 0.00 62.75 60.17 1x01 n ILE 112 Cb 0.42 0.22 -0.07 0.00 0.54 0.00 0.00 39.64 40.75 1x01 n ILE 112 CO 0.00 0.00 0.00 0.00 -2.50 0.00 0.00 176.55 174.05 1x01 s ALA 113 N -2.28 -0.83 -0.01 1.51 0.00 -1.11 -1.00 121.76 118.04 1x01 s ALA 113 Ca -0.02 0.18 0.02 0.00 0.00 0.00 0.00 51.96 52.14 1x01 s ALA 113 Cb 0.03 0.28 -0.00 0.00 0.00 0.00 0.00 23.12 23.43 1x01 s ALA 113 CO 0.18 -0.40 -0.06 0.20 0.00 0.00 0.00 175.76 175.69 1x01 s GLY 114 N -1.91 0.31 -0.08 0.00 0.00 -0.03 -1.89 107.32 103.71 1x01 s GLY 114 Ca -0.07 -0.22 0.03 0.00 0.00 0.00 0.00 44.72 44.47 1x01 s GLY 114 CO -0.02 -0.12 -0.19 0.14 0.00 0.00 0.00 173.10 172.92 1x01 s VAL 115 N 0.01 2.60 -0.08 1.40 1.01 0.27 -0.82 120.40 124.80 1x01 s VAL 115 Ca 0.00 -0.86 -0.01 0.00 0.00 0.00 0.00 61.98 61.12 1x01 s VAL 115 Cb -0.04 -2.02 0.03 0.00 0.00 0.00 0.00 36.38 34.35 1x01 s VAL 115 CO -0.00 0.56 -0.04 -0.22 0.00 0.00 0.00 175.10 175.40 1x01 s LEU 116 N -0.10 0.96 -0.16 3.92 2.96 0.16 -4.62 118.68 121.80 1x01 s LEU 116 Ca -0.04 -0.19 -0.01 0.00 -0.22 0.00 0.00 54.13 53.68 1x01 s LEU 116 Cb -0.14 -0.62 -0.01 0.00 0.50 0.00 0.00 46.19 45.93 1x01 s LEU 116 CO 0.04 -0.14 -0.12 -0.69 -1.32 0.00 0.00 176.35 174.12 1x01 s VAL 117 N 1.67 2.94 0.07 1.68 1.01 -1.26 0.97 120.40 127.49 1x01 s VAL 117 Ca 0.02 -0.67 0.07 0.00 0.00 0.00 0.00 61.98 61.40 1x01 s VAL 117 Cb -0.13 -2.27 -0.03 0.00 0.00 0.00 0.00 36.38 33.96 1x01 s VAL 117 CO -0.05 0.50 -0.18 -1.61 0.00 0.00 0.00 175.10 173.75 1x01 s GLU 118 N 0.85 1.07 -0.54 2.72 2.02 -0.55 -4.99 118.70 119.28 1x01 s GLU 118 Ca -0.04 -1.00 0.05 0.00 0.02 0.00 0.00 54.97 54.01 1x01 s GLU 118 Cb -0.15 -1.20 0.19 0.00 0.10 0.00 0.00 34.13 33.06 1x01 s GLU 118 CO 0.00 0.29 0.46 0.41 0.02 0.00 0.00 175.26 176.44 1x01 n GLY 119 N 1.43 3.17 3.68 -1.39 0.00 -1.26 0.94 105.19 111.77 1x01 n GLY 119 Ca -0.19 -1.95 -0.42 0.00 0.00 0.00 0.00 46.02 43.45 1x01 n GLY 119 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1x01 s LYS 120 N -0.89 4.29 4.61 1.61 2.36 -1.16 -4.76 119.74 125.80 1x01 s LYS 120 Ca 0.31 1.83 0.00 0.00 -2.55 0.00 0.00 55.97 55.56 1x01 s LYS 120 Cb 0.03 -3.63 0.00 0.00 -1.05 0.00 0.00 37.83 33.19 1x01 s LYS 120 CO -0.16 -0.57 0.00 0.41 1.55 0.00 0.00 175.35 176.58 1x01 n GLY 121 N 3.58 1.54 0.42 5.54 0.00 -1.26 -2.75 105.19 112.26 1x01 n GLY 121 Ca 0.13 -0.59 0.12 0.00 0.00 0.00 0.00 46.02 45.68 1x01 n GLY 121 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1x01 n ASP 122 N -0.64 1.29 -4.85 1.61 9.92 -1.26 -4.85 116.55 117.76 1x01 n ASP 122 Ca 0.00 -1.54 -0.32 0.00 -0.53 0.00 0.00 54.79 52.41 1x01 n ASP 122 Cb 0.00 -0.05 -0.05 0.00 -0.64 0.00 0.00 41.12 40.38 1x01 n ASP 122 CO 0.00 0.00 0.00 -1.59 0.13 0.00 0.00 177.20 175.74 1x01 s LYS 123 N -1.91 3.23 -0.08 -1.24 -2.85 -1.11 -4.74 119.74 111.05 1x01 s LYS 123 Ca 0.35 -0.48 -0.00 0.00 -1.00 0.00 0.00 55.97 54.85 1x01 s LYS 123 Cb 0.19 -2.94 -0.03 0.00 -2.06 0.00 0.00 37.83 32.98 1x01 s LYS 123 CO 0.30 0.62 -0.05 0.42 0.10 0.00 0.00 175.35 176.74 1x01 s ILE 124 N -1.37 3.88 -0.25 3.79 -1.09 0.36 -2.96 121.20 123.55 1x01 s ILE 124 Ca 0.29 -0.41 -0.02 0.00 -2.23 0.00 0.00 60.65 58.28 1x01 s ILE 124 Cb -0.13 -2.60 0.02 0.00 -1.58 0.00 0.00 42.46 38.18 1x01 s ILE 124 CO 0.22 0.60 -0.04 -0.69 -1.23 0.00 0.00 174.94 173.79 1x01 s VAL 125 N -0.80 3.02 -0.44 2.92 1.01 0.27 -0.27 120.40 126.11 1x01 s VAL 125 Ca 0.12 -0.96 -0.18 0.00 0.00 0.00 0.00 61.98 60.96 1x01 s VAL 125 Cb -0.11 -2.53 0.03 0.00 0.00 0.00 0.00 36.38 33.77 1x01 s VAL 125 CO 0.02 0.20 0.51 -0.22 0.00 0.00 0.00 175.10 175.61 1x01 s LEU 126 N 1.35 4.85 -0.18 3.92 2.96 0.25 -1.49 118.68 130.35 1x01 s LEU 126 Ca 0.01 -0.69 -0.09 0.00 -0.22 0.00 0.00 54.13 53.14 1x01 s LEU 126 Cb -0.17 -2.46 -0.05 0.00 0.50 0.00 0.00 46.19 44.02 1x01 s LEU 126 CO -0.04 -0.68 0.13 -0.83 -1.32 0.00 0.00 176.35 173.61 1x01 s GLY 127 N 2.06 2.07 -0.04 7.98 0.00 0.27 -0.22 107.32 119.44 1x01 s GLY 127 Ca 0.14 -0.68 0.01 0.00 0.00 0.00 0.00 44.72 44.20 1x01 s GLY 127 CO 0.14 -0.01 -0.04 -0.42 0.00 0.00 0.00 173.10 172.76 1x01 s ILE 128 N -0.04 0.52 -0.20 0.90 1.01 -0.07 0.40 121.20 123.71 1x01 s ILE 128 Ca 0.10 -0.12 0.01 0.00 0.00 0.00 0.00 60.65 60.64 1x01 s ILE 128 Cb -0.11 -0.55 0.04 0.00 0.01 0.00 0.00 42.46 41.85 1x01 s ILE 128 CO -0.00 0.22 -0.14 -0.83 0.00 0.00 0.00 174.94 174.18 1x01 s GLY 129 N 0.87 1.39 -0.13 6.18 0.00 0.00 -1.88 107.32 113.75 1x01 s GLY 129 Ca -0.12 -1.31 0.02 0.00 0.00 0.00 0.00 44.72 43.31 1x01 s GLY 129 CO 0.00 0.52 -0.19 -2.27 0.00 0.00 0.00 173.10 171.16 1x01 s LEU 130 N 1.30 1.93 -0.33 0.66 2.96 -0.11 -0.85 118.68 124.24 1x01 s LEU 130 Ca -0.00 -0.54 -0.29 0.00 -0.22 0.00 0.00 54.13 53.08 1x01 s LEU 130 Cb -0.16 -1.30 0.01 0.00 0.50 0.00 0.00 46.19 45.24 1x01 s LEU 130 CO -0.09 0.03 1.29 0.20 -1.32 0.00 0.00 176.35 176.46 1x01 s ASN 131 N 1.00 6.64 0.00 3.68 0.01 -0.17 -0.97 114.94 125.13 1x01 s ASN 131 Ca -0.04 1.09 0.00 0.00 -0.71 0.00 0.00 52.86 53.20 1x01 s ASN 131 Cb -0.15 -2.54 0.00 0.00 0.41 0.00 0.00 41.25 38.97 1x01 s ASN 131 CO -0.04 -1.13 0.00 0.52 -1.51 0.00 0.00 177.10 174.94 1x01 n VAL 132 N 6.35 0.00 0.41 1.60 0.31 -1.26 -1.34 118.33 124.40 1x01 n VAL 132 Ca 0.15 0.01 0.05 0.00 -0.01 0.00 0.00 64.34 64.53 1x01 n VAL 132 Cb 0.47 -0.83 0.03 0.00 -0.91 0.00 0.00 33.84 32.60 1x01 n VAL 132 CO 0.00 0.00 0.00 0.59 -1.32 0.00 0.00 176.83 176.10 1x01 n ASN 133 N -1.35 1.59 -4.82 4.52 3.02 -0.40 -0.55 115.26 117.27 1x01 n ASN 133 Ca 0.00 -1.29 -0.31 0.00 -0.03 0.00 0.00 54.58 52.94 1x01 n ASN 133 Cb 0.00 0.16 0.04 0.00 -0.61 0.00 0.00 39.78 39.38 1x01 n ASN 133 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 1x01 s ASN 134 N -0.98 5.53 0.51 6.41 4.22 -1.22 -4.85 114.94 124.55 1x01 s ASN 134 Ca 0.10 1.62 -0.21 0.00 -2.14 0.00 0.00 52.86 52.23 1x01 s ASN 134 Cb 0.08 -2.50 -0.06 0.00 1.28 0.00 0.00 41.25 40.05 1x01 s ASN 134 CO 0.16 -1.34 1.16 -1.59 -2.04 0.00 0.00 177.10 173.44 1x01 s LYS 135 N -4.93 3.52 0.08 3.55 -2.85 -1.26 -4.92 119.74 112.93 1x01 s LYS 135 Ca 0.58 1.72 0.05 0.00 -1.00 0.00 0.00 55.97 57.32 1x01 s LYS 135 Cb -0.14 -2.20 -0.03 0.00 -2.06 0.00 0.00 37.83 33.40 1x01 s LYS 135 CO 0.52 -0.73 -0.13 0.14 0.10 0.00 0.00 175.35 175.25 1x01 s VAL 136 N -1.64 1.06 0.67 1.79 -7.23 -1.26 -4.84 120.40 108.95 1x01 s VAL 136 Ca 0.69 -1.42 -0.17 0.00 -1.81 0.00 0.00 61.98 59.26 1x01 s VAL 136 Cb -0.27 -1.16 -0.00 0.00 0.56 0.00 0.00 36.38 35.51 1x01 s VAL 136 CO 0.31 -0.34 1.20 -0.81 -0.31 0.00 0.00 175.10 175.16 1x01 n PRO 137 N 1.03 0.89 -1.64 4.82 -0.04 -1.26 -4.83 135.00 133.96 1x01 n PRO 137 Ca -0.19 0.36 -0.45 0.00 -0.04 0.00 0.00 63.50 63.18 1x01 n PRO 137 Cb 0.55 -2.44 -0.02 0.00 -0.04 0.00 0.00 33.50 31.56 1x01 n PRO 137 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 1x01 n ASN 138 N -1.93 2.02 0.00 3.54 4.13 -1.26 -1.13 115.26 120.63 1x01 n ASN 138 Ca 0.15 1.18 0.00 0.00 1.68 0.00 0.00 54.58 57.59 1x01 n ASN 138 Cb 0.48 -1.36 0.00 0.00 -1.54 0.00 0.00 39.78 37.36 1x01 n ASN 138 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1x01 n GLY 139 N 1.39 3.34 4.01 7.41 0.00 -1.26 -5.03 105.19 115.04 1x01 n GLY 139 Ca 0.09 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.89 1x01 n GLY 139 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1x01 s ALA 140 N -2.36 4.01 0.34 4.61 0.00 -0.29 -4.09 121.76 123.99 1x01 s ALA 140 Ca 0.00 -1.95 -0.02 0.00 0.00 0.00 0.00 51.96 49.98 1x01 s ALA 140 Cb 0.00 -1.80 0.00 0.00 0.00 0.00 0.00 23.12 21.32 1x01 s ALA 140 CO 0.00 -1.39 0.47 -0.08 0.00 0.00 0.00 175.76 174.76 1x01 s THR 141 N -3.05 0.00 0.19 0.00 -1.32 -0.47 -4.82 115.64 106.17 1x01 s THR 141 Ca 0.66 -1.60 -0.10 0.00 -1.21 0.00 0.00 61.69 59.44 1x01 s THR 141 Cb -0.04 -2.64 -0.01 0.00 -1.51 0.00 0.00 72.50 68.30 1x01 s THR 141 CO 0.44 0.00 0.35 -0.94 -2.21 0.00 0.00 174.62 172.26 1x01 s SER 142 N -3.24 -0.02 0.36 8.08 1.04 -1.26 -4.36 113.70 114.29 1x01 s SER 142 Ca 0.31 -0.89 0.04 0.00 0.48 0.00 0.00 55.95 55.89 1x01 s SER 142 Cb -0.00 0.49 0.67 0.00 0.10 0.00 0.00 66.02 67.28 1x01 s SER 142 CO 0.20 -0.98 1.95 0.24 0.98 0.00 0.00 173.24 175.64 1x01 h MET 143 N 2.43 0.62 -0.17 4.02 2.86 -1.06 0.29 114.93 123.91 1x01 h MET 143 Ca -0.30 -0.08 -0.03 0.00 -2.06 0.00 0.00 59.70 57.23 1x01 h MET 143 Cb 1.24 -0.12 -0.01 0.00 0.06 0.00 0.00 31.60 32.78 1x01 h MET 143 CO 0.44 0.51 -0.01 -0.22 1.06 0.00 0.00 176.91 178.69 1x01 h LYS 144 N 0.62 0.32 -0.68 1.72 3.64 -1.03 -0.31 116.57 120.84 1x01 h LYS 144 Ca 0.15 -0.11 -0.02 0.00 -1.27 0.00 0.00 60.65 59.40 1x01 h LYS 144 Cb 0.12 -0.03 -0.03 0.00 -0.41 0.00 0.00 32.23 31.88 1x01 h LYS 144 CO -0.02 0.54 0.34 -0.07 -2.27 0.00 0.00 179.45 177.98 1x01 h LEU 145 N 0.05 0.88 -0.47 5.20 3.38 -1.67 0.95 115.31 123.65 1x01 h LEU 145 Ca 0.05 -0.12 -0.06 0.00 0.09 0.00 0.00 57.88 57.83 1x01 h LEU 145 Cb 0.41 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 40.92 1x01 h LEU 145 CO 0.01 0.75 0.05 -0.33 0.09 0.00 0.00 178.44 179.01 1x01 h GLU 146 N 0.94 0.79 0.00 1.13 4.39 -0.85 -3.20 114.58 117.78 1x01 h GLU 146 Ca 0.24 -0.23 0.00 0.00 0.34 0.00 0.00 59.36 59.71 1x01 h GLU 146 Cb 0.09 -0.08 0.00 0.00 -0.10 0.00 0.00 28.75 28.66 1x01 h GLU 146 CO -0.03 0.82 -0.81 -0.07 -1.16 0.00 0.00 179.01 177.76 1x01 h LEU 147 N 0.65 0.00 0.02 1.33 3.38 -0.88 -3.48 115.31 116.33 1x01 h LEU 147 Ca 0.14 -0.05 -0.01 0.00 0.09 0.00 0.00 57.88 58.05 1x01 h LEU 147 Cb 0.43 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.18 1x01 h LEU 147 CO 0.02 0.03 -0.01 0.61 0.09 0.00 0.00 178.44 179.17 1x01 n GLY 148 N 1.21 0.47 3.36 0.83 0.00 0.33 -5.02 105.19 106.37 1x01 n GLY 148 Ca 0.01 -0.38 -0.13 0.00 0.00 0.00 0.00 46.02 45.52 1x01 n GLY 148 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1x01 s SER 149 N -2.36 -0.36 0.52 1.61 1.04 -1.10 -5.02 113.70 108.03 1x01 s SER 149 Ca 0.00 0.02 -0.22 0.00 0.48 0.00 0.00 55.95 56.23 1x01 s SER 149 Cb 0.00 0.47 -0.06 0.00 0.10 0.00 0.00 66.02 66.53 1x01 s SER 149 CO 0.00 -0.73 1.29 1.21 0.98 0.00 0.00 173.24 175.99 1x01 n GLU 150 N 0.30 1.67 -5.07 4.02 4.07 -1.26 -4.38 120.64 119.99 1x01 n GLU 150 Ca -0.18 0.61 -0.32 0.00 -0.06 0.00 0.00 57.16 57.21 1x01 n GLU 150 Cb 0.61 -2.48 -0.16 0.00 -0.06 0.00 0.00 31.44 29.35 1x01 n GLU 150 CO 0.00 0.00 0.00 0.08 -0.06 0.00 0.00 177.13 177.15 1x01 s VAL 151 N -1.29 2.44 -0.43 6.31 1.01 -1.26 -5.02 120.40 122.16 1x01 s VAL 151 Ca 0.69 -0.90 -0.27 0.00 0.00 0.00 0.00 61.98 61.50 1x01 s VAL 151 Cb -0.44 -1.96 -0.08 0.00 0.00 0.00 0.00 36.38 33.91 1x01 s VAL 151 CO 0.51 0.55 2.37 -2.65 0.00 0.00 0.00 175.10 175.88 1x01 n PRO 152 N 3.30 1.25 -0.24 2.72 -0.02 -1.26 -4.82 135.00 135.92 1x01 n PRO 152 Ca -0.18 0.17 0.03 0.00 -2.02 0.00 0.00 63.50 61.49 1x01 n PRO 152 Cb 0.53 -3.22 0.16 0.00 -0.02 0.00 0.00 33.50 30.94 1x01 n PRO 152 CO 0.00 0.00 0.00 1.25 1.98 0.00 0.00 175.50 178.73 1x01 h LEU 153 N 17.47 0.32 -1.43 2.45 5.85 -1.96 -0.76 115.31 137.24 1x01 h LEU 153 Ca -0.28 0.09 -0.02 0.00 0.84 0.00 0.00 57.88 58.51 1x01 h LEU 153 Cb 1.27 0.05 -0.02 0.00 0.37 0.00 0.00 40.66 42.33 1x01 h LEU 153 CO 1.11 0.16 0.16 0.25 -0.34 0.00 0.00 178.44 179.77 1x01 h LEU 154 N 0.48 0.48 -0.95 2.25 5.85 -2.00 -1.83 115.31 119.59 1x01 h LEU 154 Ca 0.37 -0.05 -0.03 0.00 0.84 0.00 0.00 57.88 59.02 1x01 h LEU 154 Cb 0.50 -0.12 -0.04 0.00 0.37 0.00 0.00 40.66 41.37 1x01 h LEU 154 CO -0.34 0.44 0.37 0.28 -0.34 0.00 0.00 178.44 178.85 1x01 h SER 155 N 0.54 1.01 -0.36 1.25 0.02 -1.53 -0.30 113.55 114.18 1x01 h SER 155 Ca 0.13 -0.12 -0.09 0.00 -0.84 0.00 0.00 61.79 60.88 1x01 h SER 155 Cb 0.10 -0.26 -0.01 0.00 0.14 0.00 0.00 62.40 62.37 1x01 h SER 155 CO -0.01 0.86 -0.11 0.58 -1.14 0.00 0.00 176.83 177.00 1x01 h VAL 156 N 1.11 1.28 0.14 2.27 2.07 -1.04 -2.12 116.25 119.95 1x01 h VAL 156 Ca 0.27 -1.20 0.01 0.00 0.82 0.00 0.00 66.70 66.60 1x01 h VAL 156 Cb 0.12 1.30 -0.03 0.00 -1.52 0.00 0.00 31.29 31.17 1x01 h VAL 156 CO -0.03 0.40 -0.22 0.15 0.02 0.00 0.00 177.57 177.88 1x01 h PHE 157 N 0.51 -0.59 -0.71 1.57 3.57 -0.88 -0.02 116.94 120.39 1x01 h PHE 157 Ca 0.09 0.01 0.10 0.00 3.53 0.00 0.00 57.97 61.69 1x01 h PHE 157 Cb 0.63 0.24 -0.07 0.00 2.79 0.00 0.00 35.95 39.54 1x01 h PHE 157 CO 0.05 -0.32 0.35 0.00 -2.23 0.00 0.00 178.31 176.16 1x01 h ARG 158 N -0.43 0.57 -0.14 1.11 3.08 -1.01 -0.76 114.38 116.79 1x01 h ARG 158 Ca 0.02 -0.03 -0.02 0.00 0.07 0.00 0.00 59.98 60.02 1x01 h ARG 158 Cb 0.44 -0.13 -0.01 0.00 0.08 0.00 0.00 29.97 30.36 1x01 h ARG 158 CO -0.11 0.38 0.02 1.03 -1.07 0.00 0.00 179.97 180.22 1x01 h SER 159 N 0.59 0.23 -0.47 7.04 0.87 -1.01 -2.18 113.55 118.62 1x01 h SER 159 Ca 0.35 -0.27 -0.02 0.00 -1.23 0.00 0.00 61.79 60.63 1x01 h SER 159 Cb 0.39 -0.06 -0.02 0.00 -0.44 0.00 0.00 62.40 62.26 1x01 h SER 159 CO -0.28 0.44 0.23 0.25 -0.53 0.00 0.00 176.83 176.94 1x01 h LEU 160 N 0.02 0.62 -1.18 2.23 5.85 -0.64 -1.79 115.31 120.41 1x01 h LEU 160 Ca 0.04 -0.13 -0.03 0.00 0.84 0.00 0.00 57.88 58.60 1x01 h LEU 160 Cb 0.31 -0.16 -0.03 0.00 0.37 0.00 0.00 40.66 41.15 1x01 h LEU 160 CO 0.00 0.58 0.20 0.40 -0.34 0.00 0.00 178.44 179.28 1x01 h ILE 161 N 0.62 1.20 -0.28 4.05 1.08 -1.15 0.27 117.51 123.31 1x01 h ILE 161 Ca 0.16 -0.64 -0.05 0.00 -0.39 0.00 0.00 64.86 63.95 1x01 h ILE 161 Cb 0.12 0.58 -0.01 0.00 -3.07 0.00 0.00 36.82 34.44 1x01 h ILE 161 CO -0.02 0.25 -0.01 0.74 -0.69 0.00 0.00 178.15 178.41 1x01 h THR 162 N 0.76 1.26 -0.36 -0.27 2.02 -1.06 -1.32 112.91 113.95 1x01 h THR 162 Ca 0.18 -0.96 -0.06 0.00 0.77 0.00 0.00 66.41 66.34 1x01 h THR 162 Cb 0.17 1.34 -0.01 0.00 -1.74 0.00 0.00 68.15 67.91 1x01 h THR 162 CO -0.01 0.31 -0.01 0.78 0.37 0.00 0.00 175.52 176.95 1x01 h ASN 163 N 0.28 0.63 -0.50 4.18 2.35 -0.97 -2.44 115.58 119.11 1x01 h ASN 163 Ca 0.08 -0.31 -0.06 0.00 -0.55 0.00 0.00 56.30 55.46 1x01 h ASN 163 Cb 0.45 -0.17 -0.03 0.00 0.05 0.00 0.00 38.32 38.63 1x01 h ASN 163 CO 0.02 0.79 0.12 -0.07 -1.65 0.00 0.00 177.43 176.64 1x01 h LEU 164 N 0.46 0.81 -0.41 1.61 3.38 -0.94 0.15 115.31 120.36 1x01 h LEU 164 Ca 0.10 -0.15 -0.03 0.00 0.09 0.00 0.00 57.88 57.89 1x01 h LEU 164 Cb 0.48 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 41.00 1x01 h LEU 164 CO 0.02 0.80 0.14 -0.78 0.09 0.00 0.00 178.44 178.71 1x01 h ASP 165 N 0.83 0.59 -0.46 -0.43 3.58 -1.11 0.29 116.42 119.70 1x01 h ASP 165 Ca 0.18 -0.20 -0.06 0.00 0.42 0.00 0.00 57.03 57.37 1x01 h ASP 165 Cb 0.32 -0.16 -0.02 0.00 1.72 0.00 0.00 39.33 41.20 1x01 h ASP 165 CO 0.00 0.63 0.05 -0.09 -2.88 0.00 0.00 179.24 176.96 1x01 h ARG 166 N 0.52 0.78 -0.55 0.28 2.43 -1.13 -1.10 114.38 115.61 1x01 h ARG 166 Ca 0.13 -0.22 -0.09 0.00 -0.81 0.00 0.00 59.98 58.99 1x01 h ARG 166 Cb 0.25 -0.08 -0.02 0.00 -0.42 0.00 0.00 29.97 29.69 1x01 h ARG 166 CO -0.01 0.81 -0.03 -0.07 -1.51 0.00 0.00 179.97 179.16 1x01 h LEU 167 N 0.64 0.95 -0.29 3.80 3.38 -0.85 -2.61 115.31 120.33 1x01 h LEU 167 Ca 0.14 -0.27 -0.13 0.00 0.09 0.00 0.00 57.88 57.71 1x01 h LEU 167 Cb 0.42 -0.26 -0.00 0.00 0.09 0.00 0.00 40.66 40.91 1x01 h LEU 167 CO 0.01 1.02 -0.31 0.22 0.09 0.00 0.00 178.44 179.48 1x01 h TYR 168 N 0.88 0.87 -0.82 1.13 3.20 -0.80 -1.18 116.97 120.26 1x01 h TYR 168 Ca 0.15 -0.27 -0.00 0.00 3.14 0.00 0.00 58.73 61.75 1x01 h TYR 168 Cb 0.56 -0.18 -0.04 0.00 1.54 0.00 0.00 36.73 38.61 1x01 h TYR 168 CO 0.04 1.02 0.49 -0.07 -1.64 0.00 0.00 178.16 178.00 1x01 h LEU 169 N 0.47 0.98 -0.35 2.82 4.07 -1.14 -1.77 115.31 120.38 1x01 h LEU 169 Ca 0.04 -0.06 -0.19 0.00 0.08 0.00 0.00 57.88 57.76 1x01 h LEU 169 Cb 0.89 -0.25 -0.00 0.00 1.08 0.00 0.00 40.66 42.38 1x01 h LEU 169 CO 0.08 0.75 -0.67 -1.13 -1.08 0.00 0.00 178.44 176.39 1x01 h ASN 170 N 1.13 0.72 -0.43 -0.43 -1.24 -1.38 -3.06 115.58 110.89 1x01 h ASN 170 Ca 0.29 -0.44 0.01 0.00 0.71 0.00 0.00 56.30 56.88 1x01 h ASN 170 Cb -0.04 -0.21 -0.02 0.00 0.73 0.00 0.00 38.32 38.77 1x01 h ASN 170 CO -0.05 1.20 0.29 0.15 -1.29 0.00 0.00 177.43 177.72 1x01 h PHE 171 N 0.45 0.52 0.00 0.67 3.04 -0.68 1.00 116.94 121.94 1x01 h PHE 171 Ca -0.02 0.01 -0.06 0.00 3.98 0.00 0.00 57.97 61.88 1x01 h PHE 171 Cb 1.26 -0.18 -0.01 0.00 2.56 0.00 0.00 35.95 39.58 1x01 h PHE 171 CO 0.06 0.33 -0.29 -0.07 -2.02 0.00 0.00 178.31 176.32 1x01 h LEU 172 N 0.56 0.00 0.03 0.59 3.38 -1.23 -2.25 115.31 116.38 1x01 h LEU 172 Ca 0.16 0.00 -0.39 0.00 0.09 0.00 0.00 57.88 57.74 1x01 h LEU 172 Cb -0.03 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 40.66 1x01 h LEU 172 CO -0.04 0.29 -2.37 0.29 0.09 0.00 0.00 178.44 176.70 1x01 n LYS 173 N -4.15 0.67 -3.28 1.13 5.02 -0.30 -4.75 118.16 112.51 1x01 n LYS 173 Ca -0.02 0.19 -0.25 0.00 -2.02 0.00 0.00 58.31 56.21 1x01 n LYS 173 Cb 0.34 -1.56 -0.07 0.00 -0.02 0.00 0.00 35.03 33.72 1x01 n LYS 173 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 1x01 n ASN 174 N -3.39 1.95 0.02 4.39 3.02 0.33 -4.98 115.26 116.61 1x01 n ASN 174 Ca -0.43 -3.08 0.01 0.00 -0.03 0.00 0.00 54.58 51.05 1x01 n ASN 174 Cb 0.99 -0.65 0.06 0.00 -0.61 0.00 0.00 39.78 39.58 1x01 n ASN 174 CO 0.00 0.00 0.00 -0.81 -2.62 0.00 0.00 177.26 173.83 1x01 n PRO 175 N 1.03 0.02 0.04 3.52 -0.04 -0.85 -1.83 135.00 136.89 1x01 n PRO 175 Ca 0.26 0.39 -0.02 0.00 -0.04 0.00 0.00 63.50 64.09 1x01 n PRO 175 Cb 0.48 -1.71 -0.08 0.00 -0.04 0.00 0.00 33.50 32.16 1x01 n PRO 175 CO 0.00 0.00 0.00 0.52 -0.04 0.00 0.00 175.50 175.98 1x01 h MET 176 N 0.00 0.00 -0.85 0.54 2.86 -1.93 -3.38 114.93 112.17 1x01 h MET 176 Ca 0.00 0.00 0.18 0.00 -2.06 0.00 0.00 59.70 57.82 1x01 h MET 176 Cb 0.31 0.00 -0.11 0.00 0.06 0.00 0.00 31.60 31.86 1x01 h MET 176 CO 0.00 0.41 0.39 -0.44 1.06 0.00 0.00 176.91 178.33 1x01 h ASP 177 N 0.00 0.39 -0.90 1.22 5.19 -1.75 -2.32 116.42 118.25 1x01 h ASP 177 Ca -0.15 0.12 0.16 0.00 -0.62 0.00 0.00 57.03 56.54 1x01 h ASP 177 Cb 1.64 0.08 -0.07 0.00 0.18 0.00 0.00 39.33 41.15 1x01 h ASP 177 CO 0.06 0.10 0.58 -0.29 -3.12 0.00 0.00 179.24 176.58 1x01 h ILE 178 N 0.49 0.80 -0.61 0.35 6.09 -1.78 -1.66 117.51 121.19 1x01 h ILE 178 Ca 0.49 -0.22 0.06 0.00 -1.37 0.00 0.00 64.86 63.82 1x01 h ILE 178 Cb 0.81 0.09 -0.05 0.00 0.47 0.00 0.00 36.82 38.14 1x01 h ILE 178 CO -0.44 0.12 0.32 -0.07 -3.07 0.00 0.00 178.15 175.01 1x01 h LEU 179 N 0.65 0.46 -0.69 2.19 3.38 -1.69 -0.76 115.31 118.85 1x01 h LEU 179 Ca 0.46 0.03 -0.02 0.00 0.09 0.00 0.00 57.88 58.45 1x01 h LEU 179 Cb 0.81 -0.05 -0.03 0.00 0.09 0.00 0.00 40.66 41.47 1x01 h LEU 179 CO -0.22 0.30 0.36 0.78 0.09 0.00 0.00 178.44 179.75 1x01 h ASN 180 N 0.59 0.87 -0.67 -0.43 2.35 -1.43 -0.37 115.58 116.49 1x01 h ASN 180 Ca 0.28 -0.11 -0.02 0.00 -0.55 0.00 0.00 56.30 55.89 1x01 h ASN 180 Cb 0.19 -0.22 -0.03 0.00 0.05 0.00 0.00 38.32 38.31 1x01 h ASN 180 CO -0.19 0.73 0.32 -0.07 -1.65 0.00 0.00 177.43 176.57 1x01 h LEU 181 N 0.94 0.87 -0.17 1.61 3.38 -1.21 -2.00 115.31 118.73 1x01 h LEU 181 Ca 0.24 -0.13 -0.01 0.00 0.09 0.00 0.00 57.88 58.07 1x01 h LEU 181 Cb 0.06 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.58 1x01 h LEU 181 CO -0.04 0.76 0.08 0.58 0.09 0.00 0.00 178.44 179.92 1x01 h VAL 182 N 0.93 1.13 -0.66 1.22 2.07 -0.77 -2.65 116.25 117.51 1x01 h VAL 182 Ca 0.23 -0.38 0.11 0.00 0.82 0.00 0.00 66.70 67.48 1x01 h VAL 182 Cb 0.11 1.06 -0.08 0.00 -1.52 0.00 0.00 31.29 30.87 1x01 h VAL 182 CO -0.03 0.12 0.26 0.03 0.02 0.00 0.00 177.57 177.97 1x01 h ARG 183 N 0.15 0.42 0.00 1.57 3.08 -0.82 0.10 114.38 118.88 1x01 h ARG 183 Ca 0.06 -0.03 0.00 0.00 0.07 0.00 0.00 59.98 60.08 1x01 h ARG 183 Cb 0.12 -0.10 0.00 0.00 0.08 0.00 0.00 29.97 30.08 1x01 h ARG 183 CO -0.01 0.28 0.00 -0.25 -1.07 0.00 0.00 179.97 178.92 1x01 n ASP 184 N -4.99 0.00 -0.08 7.04 8.00 -0.78 -3.22 116.55 122.53 1x01 n ASP 184 Ca 0.10 0.31 0.02 0.00 0.71 0.00 0.00 54.79 55.94 1x01 n ASP 184 Cb 0.31 -0.42 0.03 0.00 -0.02 0.00 0.00 41.12 41.02 1x01 n ASP 184 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 1x01 n ASN 185 N -1.42 1.36 -4.85 -2.24 3.02 -0.36 -5.06 115.26 105.70 1x01 n ASN 185 Ca 0.07 -2.00 -0.25 0.00 -0.03 0.00 0.00 54.58 52.37 1x01 n ASN 185 Cb 0.22 -0.12 -0.04 0.00 -0.61 0.00 0.00 39.78 39.23 1x01 n ASN 185 CO 0.00 0.00 0.00 -0.32 -2.62 0.00 0.00 177.26 174.32 1x01 s MET 186 N -1.05 3.06 -0.45 3.52 1.75 0.21 0.43 119.30 126.77 1x01 s MET 186 Ca 0.07 -0.85 -0.27 0.00 -1.25 0.00 0.00 55.69 53.38 1x01 s MET 186 Cb 0.06 -2.71 0.03 0.00 2.84 0.00 0.00 34.83 35.05 1x01 s MET 186 CO 0.01 0.47 1.03 0.42 -0.65 0.00 0.00 175.02 176.29 1x01 s ILE 187 N -1.86 4.36 0.33 10.11 1.01 -0.48 -4.81 121.20 129.85 1x01 s ILE 187 Ca 0.32 1.06 0.04 0.00 0.00 0.00 0.00 60.65 62.07 1x01 s ILE 187 Cb -0.10 -4.50 -0.06 0.00 0.01 0.00 0.00 42.46 37.81 1x01 s ILE 187 CO 0.25 -0.87 0.06 -0.76 0.00 0.00 0.00 174.94 173.62 1x01 s LEU 188 N 4.04 2.21 -0.95 2.97 1.43 -1.26 -4.81 118.68 122.31 1x01 s LEU 188 Ca 0.43 -1.38 0.00 0.00 -1.03 0.00 0.00 54.13 52.15 1x01 s LEU 188 Cb -0.09 -0.40 0.00 0.00 0.03 0.00 0.00 46.19 45.73 1x01 s LEU 188 CO 0.27 -0.60 0.00 0.61 0.23 0.00 0.00 176.35 176.86 1x01 n GLY 189 N -0.70 1.07 3.30 -3.19 0.00 0.06 -5.02 105.19 100.72 1x01 n GLY 189 Ca -0.02 -0.62 -0.19 0.00 0.00 0.00 0.00 46.02 45.18 1x01 n GLY 189 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1x01 s VAL 190 N -2.33 1.61 0.18 1.61 -7.23 -1.26 -4.93 120.40 108.06 1x01 s VAL 190 Ca 0.00 -1.93 -0.30 0.00 -1.81 0.00 0.00 61.98 57.94 1x01 s VAL 190 Cb 0.00 -1.79 -0.08 0.00 0.56 0.00 0.00 36.38 35.07 1x01 s VAL 190 CO 0.00 -0.44 1.10 -0.60 -0.31 0.00 0.00 175.10 174.86 1x01 s ARG 191 N -3.01 4.59 0.06 4.82 3.52 -1.26 -1.56 118.95 126.12 1x01 s ARG 191 Ca 0.15 1.73 0.00 0.00 -0.13 0.00 0.00 55.73 57.48 1x01 s ARG 191 Cb -0.04 -3.27 -0.04 0.00 -1.56 0.00 0.00 34.95 30.04 1x01 s ARG 191 CO 0.05 0.08 -0.04 0.14 -0.81 0.00 0.00 175.30 174.72 1x01 s VAL 192 N -0.29 0.37 -0.07 7.11 -7.23 0.29 -1.75 120.40 118.82 1x01 s VAL 192 Ca 0.49 -1.72 0.04 0.00 -1.81 0.00 0.00 61.98 58.99 1x01 s VAL 192 Cb -0.30 -1.39 -0.00 0.00 0.56 0.00 0.00 36.38 35.25 1x01 s VAL 192 CO 0.35 -0.88 -0.21 -0.75 -0.31 0.00 0.00 175.10 173.31 1x01 s LYS 193 N -3.52 2.42 -0.32 4.82 2.20 0.71 -1.56 119.74 124.49 1x01 s LYS 193 Ca 0.05 -0.75 -0.15 0.00 -0.36 0.00 0.00 55.97 54.77 1x01 s LYS 193 Cb 0.04 -1.95 -0.02 0.00 -1.51 0.00 0.00 37.83 34.40 1x01 s LYS 193 CO -0.07 0.22 0.36 0.42 -0.36 0.00 0.00 175.35 175.92 1x01 s ILE 194 N 0.21 5.17 0.63 5.43 -1.09 0.71 -1.33 121.20 130.92 1x01 s ILE 194 Ca -0.11 0.21 -0.09 0.00 -2.23 0.00 0.00 60.65 58.43 1x01 s ILE 194 Cb -0.15 -3.78 -0.00 0.00 -1.58 0.00 0.00 42.46 36.94 1x01 s ILE 194 CO 0.05 -0.02 0.99 -0.76 -1.23 0.00 0.00 174.94 173.97 1x01 s LEU 195 N 2.04 3.15 0.00 2.97 1.43 -0.29 -2.51 118.68 125.47 1x01 s LEU 195 Ca 0.13 1.02 0.00 0.00 -1.03 0.00 0.00 54.13 54.25 1x01 s LEU 195 Cb -0.16 -3.89 0.00 0.00 0.03 0.00 0.00 46.19 42.17 1x01 s LEU 195 CO 0.11 -1.08 0.00 0.61 0.23 0.00 0.00 176.35 176.22 1x01 n GLY 196 N -2.74 -0.98 3.77 -3.19 0.00 -1.26 -4.57 105.19 96.22 1x01 n GLY 196 Ca 0.05 -2.15 -0.37 0.00 0.00 0.00 0.00 46.02 43.56 1x01 n GLY 196 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1x01 s ASP 197 N -4.00 6.03 -0.82 1.61 1.01 -1.26 -2.24 116.67 117.00 1x01 s ASP 197 Ca 0.00 2.33 0.00 0.00 0.71 0.00 0.00 52.55 55.59 1x01 s ASP 197 Cb 0.00 -2.60 0.00 0.00 1.01 0.00 0.00 42.92 41.33 1x01 s ASP 197 CO 0.00 -1.02 0.00 0.61 0.21 0.00 0.00 175.17 174.97 1x01 n GLY 198 N 0.44 0.93 3.46 0.21 0.00 -1.26 -4.91 105.19 104.05 1x01 n GLY 198 Ca 0.08 -0.35 -0.46 0.00 0.00 0.00 0.00 46.02 45.29 1x01 n GLY 198 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1x01 n SER 199 N -0.06 -0.50 -3.84 1.61 2.88 -0.95 -4.98 113.62 107.78 1x01 n SER 199 Ca -0.08 1.12 -0.09 0.00 -1.33 0.00 0.00 58.87 58.49 1x01 n SER 199 Cb 0.34 -1.06 -0.04 0.00 -0.75 0.00 0.00 64.21 62.70 1x01 n SER 199 CO 0.00 0.00 0.00 0.72 -1.23 0.00 0.00 175.04 174.53 1x01 s PHE 200 N -1.08 0.00 0.10 0.66 -0.12 -1.04 -5.00 117.98 111.49 1x01 s PHE 200 Ca 0.62 -0.38 0.01 0.00 -0.05 0.00 0.00 56.93 57.13 1x01 s PHE 200 Cb -0.82 0.41 -0.04 0.00 -0.63 0.00 0.00 43.02 41.94 1x01 s PHE 200 CO 0.58 -1.02 -0.04 -1.83 -0.05 0.00 0.00 175.22 172.86 1x01 s GLU 201 N -3.93 0.82 0.00 1.99 -1.05 -1.26 -0.21 118.70 115.07 1x01 s GLU 201 Ca 0.13 -1.34 0.00 0.00 -0.15 0.00 0.00 54.97 53.61 1x01 s GLU 201 Cb -0.02 -0.10 0.00 0.00 -0.44 0.00 0.00 34.13 33.57 1x01 s GLU 201 CO 0.03 -0.06 0.00 0.41 0.95 0.00 0.00 175.26 176.58 1x01 n GLY 202 N -0.04 -1.24 3.73 -3.83 0.00 -0.60 -4.44 105.19 98.77 1x01 n GLY 202 Ca -0.11 -0.93 -0.38 0.00 0.00 0.00 0.00 46.02 44.59 1x01 n GLY 202 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1x01 s ILE 203 N -3.00 5.14 -0.83 -0.61 1.01 -0.69 -0.55 121.20 121.67 1x01 s ILE 203 Ca 0.00 1.01 -0.26 0.00 0.00 0.00 0.00 60.65 61.41 1x01 s ILE 203 Cb 0.00 -3.84 0.03 0.00 0.01 0.00 0.00 42.46 38.66 1x01 s ILE 203 CO 0.00 0.34 1.39 0.00 0.00 0.00 0.00 174.94 176.68 1x01 s ALA 204 N 0.47 2.67 -0.08 9.38 0.00 -0.60 -1.00 121.76 132.59 1x01 s ALA 204 Ca 0.27 -1.63 -0.27 0.00 0.00 0.00 0.00 51.96 50.33 1x01 s ALA 204 Cb -0.16 -4.36 -0.23 0.00 0.00 0.00 0.00 23.12 18.37 1x01 s ALA 204 CO 0.12 -3.49 1.01 0.93 0.00 0.00 0.00 175.76 174.33 1x01 h GLU 205 N 10.28 0.04 0.00 0.00 4.39 -1.23 0.21 114.58 128.27 1x01 h GLU 205 Ca -0.10 -0.04 0.09 0.00 0.34 0.00 0.00 59.36 59.65 1x01 h GLU 205 Cb 1.04 0.01 -0.02 0.00 -0.10 0.00 0.00 28.75 29.68 1x01 h GLU 205 CO 1.32 0.79 0.25 -3.47 -1.16 0.00 0.00 179.01 176.74 1x01 n ASP 206 N -4.68 -0.36 -4.38 1.42 2.03 -1.22 -4.52 116.55 104.84 1x01 n ASP 206 Ca -0.09 -1.10 -0.29 0.00 0.52 0.00 0.00 54.79 53.83 1x01 n ASP 206 Cb 0.40 0.57 -0.13 0.00 -0.72 0.00 0.00 41.12 41.23 1x01 n ASP 206 CO 0.00 0.00 0.00 0.27 -1.92 0.00 0.00 177.20 175.55 1x01 s ILE 207 N -2.16 2.25 0.00 5.18 -4.36 -1.26 0.28 121.20 121.13 1x01 s ILE 207 Ca 0.08 -1.64 0.00 0.00 -0.26 0.00 0.00 60.65 58.84 1x01 s ILE 207 Cb -0.00 -1.96 0.00 0.00 1.25 0.00 0.00 42.46 41.75 1x01 s ILE 207 CO 0.00 0.18 0.00 -0.90 0.24 0.00 0.00 174.94 174.46 1x01 n ASP 208 N 1.17 0.00 0.02 4.36 5.68 -0.34 -4.86 116.55 122.58 1x01 n ASP 208 Ca -0.18 -0.53 0.06 0.00 -0.50 0.00 0.00 54.79 53.65 1x01 n ASP 208 Cb 0.53 0.00 0.27 0.00 -1.14 0.00 0.00 41.12 40.78 1x01 n ASP 208 CO 0.00 0.00 0.00 -0.90 -1.33 0.00 0.00 177.20 174.97 1x01 n ASP 209 N -1.58 0.09 -0.64 -1.12 5.75 -1.26 -1.01 116.55 116.78 1x01 n ASP 209 Ca 0.00 0.53 0.06 0.00 -0.01 0.00 0.00 54.79 55.37 1x01 n ASP 209 Cb 0.00 -0.55 0.13 0.00 -1.03 0.00 0.00 41.12 39.68 1x01 n ASP 209 CO 0.00 0.00 0.00 0.49 -0.11 0.00 0.00 177.20 177.58 1x01 n PHE 210 N -1.61 0.35 -1.02 2.11 3.01 -1.26 -4.96 117.46 114.08 1x01 n PHE 210 Ca 0.02 -0.34 -0.01 0.00 1.01 0.00 0.00 57.45 58.14 1x01 n PHE 210 Cb 0.13 -0.02 -0.00 0.00 -0.01 0.00 0.00 39.48 39.59 1x01 n PHE 210 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1x01 n GLY 211 N 0.65 0.45 3.76 1.37 0.00 -0.18 -4.95 105.19 106.28 1x01 n GLY 211 Ca 0.11 -0.14 -0.40 0.00 0.00 0.00 0.00 46.02 45.59 1x01 n GLY 211 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1x01 s ARG 212 N -0.70 4.59 -0.04 1.61 0.52 -1.26 -4.67 118.95 118.99 1x01 s ARG 212 Ca 0.00 1.82 -0.30 0.00 -0.52 0.00 0.00 55.73 56.73 1x01 s ARG 212 Cb 0.00 -3.15 -0.03 0.00 0.52 0.00 0.00 34.95 32.29 1x01 s ARG 212 CO 0.00 0.16 1.14 -1.17 0.02 0.00 0.00 175.30 175.45 1x01 s LEU 213 N -1.54 4.29 -0.28 2.53 2.96 -0.72 -1.20 118.68 124.72 1x01 s LEU 213 Ca 0.45 1.77 -0.16 0.00 -0.22 0.00 0.00 54.13 55.97 1x01 s LEU 213 Cb -0.32 -3.56 -0.03 0.00 0.50 0.00 0.00 46.19 42.78 1x01 s LEU 213 CO 0.41 -0.51 0.42 -0.63 -1.32 0.00 0.00 176.35 174.73 1x01 s ILE 214 N 1.89 5.13 -0.10 6.68 -1.09 0.14 -0.67 121.20 133.18 1x01 s ILE 214 Ca 0.54 0.56 0.03 0.00 -2.23 0.00 0.00 60.65 59.55 1x01 s ILE 214 Cb -0.24 -3.77 -0.01 0.00 -1.58 0.00 0.00 42.46 36.86 1x01 s ILE 214 CO 0.23 0.07 -0.20 -0.63 -1.23 0.00 0.00 174.94 173.18 1x01 s ILE 215 N 2.16 2.46 -0.39 2.92 1.01 -0.20 -0.68 121.20 128.48 1x01 s ILE 215 Ca 0.17 -0.89 -0.13 0.00 0.00 0.00 0.00 60.65 59.80 1x01 s ILE 215 Cb -0.16 -1.97 0.02 0.00 0.01 0.00 0.00 42.46 40.36 1x01 s ILE 215 CO 0.10 0.55 0.26 -0.60 0.00 0.00 0.00 174.94 175.25 1x01 s ARG 216 N 0.19 2.93 0.79 2.79 3.52 -0.17 -1.46 118.95 127.53 1x01 s ARG 216 Ca -0.12 -1.03 -0.11 0.00 -0.13 0.00 0.00 55.73 54.34 1x01 s ARG 216 Cb -0.16 -3.87 0.06 0.00 -1.56 0.00 0.00 34.95 29.43 1x01 s ARG 216 CO 0.06 -0.72 1.09 -0.51 -0.81 0.00 0.00 175.30 174.41 1x01 s LEU 217 N 1.63 2.72 0.54 -0.88 1.02 0.02 -1.70 118.68 122.03 1x01 s LEU 217 Ca 0.04 1.49 0.24 0.00 0.02 0.00 0.00 54.13 55.91 1x01 s LEU 217 Cb -0.19 -4.14 1.52 0.00 0.02 0.00 0.00 46.19 43.39 1x01 s LEU 217 CO 0.09 -1.98 2.17 0.44 0.02 0.00 0.00 176.35 177.09 1x01 h ASP 218 N -1.09 0.00 1.00 2.29 3.45 -1.88 0.30 116.42 120.50 1x01 h ASP 218 Ca -0.46 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.00 1x01 h ASP 218 Cb 1.25 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 40.02 1x01 h ASP 218 CO 0.57 0.04 0.00 0.77 -1.57 0.00 0.00 179.24 179.04 1x01 h SER 219 N 0.00 0.00 0.00 6.45 4.64 -1.95 -3.45 113.55 119.23 1x01 h SER 219 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1x01 h SER 219 Cb 0.08 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.17 1x01 h SER 219 CO 0.00 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 176.57 1x01 n GLY 220 N 0.12 0.60 3.77 -0.77 0.00 0.10 -5.07 105.19 103.94 1x01 n GLY 220 Ca 0.01 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.64 1x01 n GLY 220 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1x01 s GLU 221 N -0.73 3.82 -0.19 1.61 2.12 -1.26 -4.72 118.70 119.35 1x01 s GLU 221 Ca 0.00 2.26 -0.03 0.00 0.36 0.00 0.00 54.97 57.56 1x01 s GLU 221 Cb 0.00 -2.69 -0.01 0.00 0.26 0.00 0.00 34.13 31.68 1x01 s GLU 221 CO 0.00 -0.65 -0.06 0.08 -0.54 0.00 0.00 175.26 174.09 1x01 s VAL 222 N -1.25 3.42 0.03 3.70 1.01 -1.26 -0.80 120.40 125.26 1x01 s VAL 222 Ca 0.59 -0.50 0.07 0.00 0.00 0.00 0.00 61.98 62.15 1x01 s VAL 222 Cb -0.40 -2.52 -0.03 0.00 0.00 0.00 0.00 36.38 33.43 1x01 s VAL 222 CO 0.52 0.46 -0.21 -0.54 0.00 0.00 0.00 175.10 175.33 1x01 s LYS 223 N 1.00 2.03 -0.22 2.72 1.02 -0.54 -4.99 119.74 120.76 1x01 s LYS 223 Ca -0.00 -1.00 -0.03 0.00 0.02 0.00 0.00 55.97 54.96 1x01 s LYS 223 Cb -0.15 -2.14 -0.00 0.00 -0.52 0.00 0.00 37.83 35.03 1x01 s LYS 223 CO 0.00 0.54 -0.06 0.15 -0.92 0.00 0.00 175.35 175.06 1x01 s LYS 224 N -1.30 3.29 -0.26 1.68 1.02 -1.26 -1.03 119.74 121.89 1x01 s LYS 224 Ca 0.13 -0.67 -0.13 0.00 0.02 0.00 0.00 55.97 55.32 1x01 s LYS 224 Cb -0.10 -2.97 -0.05 0.00 -0.52 0.00 0.00 37.83 34.19 1x01 s LYS 224 CO 0.04 -0.22 0.26 0.08 -0.92 0.00 0.00 175.35 174.59 1x01 s VAL 225 N 1.45 5.27 0.36 3.17 1.01 0.16 -4.91 120.40 126.92 1x01 s VAL 225 Ca 0.05 0.35 -0.26 0.00 0.00 0.00 0.00 61.98 62.12 1x01 s VAL 225 Cb -0.14 -3.59 -0.09 0.00 0.00 0.00 0.00 36.38 32.55 1x01 s VAL 225 CO -0.04 0.25 1.08 -0.63 0.00 0.00 0.00 175.10 175.76 1x01 s ILE 226 N 1.60 3.58 -1.16 2.22 -1.09 -1.26 -1.75 121.20 123.35 1x01 s ILE 226 Ca 0.11 1.33 -0.13 0.00 -2.23 0.00 0.00 60.65 59.74 1x01 s ILE 226 Cb -0.15 -3.75 0.20 0.00 -1.58 0.00 0.00 42.46 37.18 1x01 s ILE 226 CO 0.09 0.13 1.30 -0.72 -1.23 0.00 0.00 174.94 174.51 1x01 s TYR 227 N -1.47 3.74 0.00 3.97 1.13 -1.26 -4.57 117.35 118.88 1x01 s TYR 227 Ca 0.54 -2.28 0.00 0.00 -1.41 0.00 0.00 57.07 53.92 1x01 s TYR 227 Cb -0.26 -4.15 0.00 0.00 -1.10 0.00 0.00 41.96 36.45 1x01 s TYR 227 CO 0.33 -1.25 0.00 0.41 -2.51 0.00 0.00 175.55 172.53 1x01 n GLY 228 N 3.72 0.37 0.51 5.49 0.00 -1.26 -4.91 105.19 109.11 1x01 n GLY 228 Ca 0.31 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.41 1x01 n GLY 228 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1x01 n ASP 229 N -0.40 1.99 -4.02 1.61 8.00 -1.26 -5.02 116.55 117.45 1x01 n ASP 229 Ca 0.00 -1.50 -0.51 0.00 0.71 0.00 0.00 54.79 53.49 1x01 n ASP 229 Cb 0.00 0.20 -0.06 0.00 -0.02 0.00 0.00 41.12 41.23 1x01 n ASP 229 CO 0.00 0.00 0.00 0.52 -0.39 0.00 0.00 177.20 177.33 1x01 n VAL 230 N 0.45 0.31 -4.07 2.53 0.31 -1.26 -4.97 118.33 111.64 1x01 n VAL 230 Ca 0.08 -0.08 -0.33 0.00 -0.01 0.00 0.00 64.34 64.00 1x01 n VAL 230 Cb 0.36 0.00 -0.15 0.00 -0.91 0.00 0.00 33.84 33.14 1x01 n VAL 230 CO 0.00 0.00 0.00 -0.55 -1.32 0.00 0.00 176.83 174.96 1x01 s SER 231 N -0.16 3.66 0.14 4.52 0.15 -1.26 -4.99 113.70 115.77 1x01 s SER 231 Ca 0.77 -0.84 0.10 0.00 0.70 0.00 0.00 55.95 56.68 1x01 s SER 231 Cb -1.09 -1.54 -0.04 0.00 -1.71 0.00 0.00 66.02 61.65 1x01 s SER 231 CO 0.51 -0.06 -0.21 -0.22 1.20 0.00 0.00 173.24 174.46 1x01 s LEU 232 N 1.26 2.57 -0.01 3.45 0.20 -1.26 -1.14 118.68 123.75 1x01 s LEU 232 Ca 0.01 -0.68 0.01 0.00 0.69 0.00 0.00 54.13 54.16 1x01 s LEU 232 Cb -0.15 -1.39 0.00 0.00 -0.43 0.00 0.00 46.19 44.22 1x01 s LEU 232 CO -0.09 0.16 -0.03 -0.60 -0.29 0.00 0.00 176.35 175.49 1x01 s ARG 233 N -2.32 0.34 0.02 1.98 3.52 -0.44 -4.98 118.95 117.08 1x01 s ARG 233 Ca 0.18 -0.11 -0.24 0.00 -0.13 0.00 0.00 55.73 55.43 1x01 s ARG 233 Cb -0.10 -0.36 -0.05 0.00 -1.56 0.00 0.00 34.95 32.89 1x01 s ARG 233 CO 0.10 0.05 0.72 -0.06 -0.81 0.00 0.00 175.30 175.30 1x01 s PHE 234 N 0.10 3.71 -2.37 5.12 0.08 -1.26 -0.21 117.98 123.15 1x01 s PHE 234 Ca -0.01 1.39 0.19 0.00 0.12 0.00 0.00 56.93 58.62 1x01 s PHE 234 Cb -0.04 -2.77 0.15 0.00 -0.57 0.00 0.00 43.02 39.79 1x01 s PHE 234 CO -0.00 0.27 1.10 1.28 -0.10 0.00 0.00 175.22 177.77