#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 -0.84 3.17 3.38 -2.05 -3.48 115.31 115.49 1x01 h LEU 2 Ca 0.00 0.00 -0.31 0.00 0.09 0.00 0.00 57.88 57.66 1x01 h LEU 2 Cb 0.00 0.00 0.11 0.00 0.09 0.00 0.00 40.66 40.86 1x01 h LEU 2 CO 0.00 0.58 -0.52 0.61 0.09 0.00 0.00 178.44 179.19 1x01 n GLY 3 N 0.82 -0.20 3.77 0.83 0.00 -1.26 -4.98 105.19 104.16 1x01 n GLY 3 Ca 0.00 0.04 -0.38 0.00 0.00 0.00 0.00 46.02 45.69 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 -5.85 4.13 -0.04 0.99 1.43 -1.26 -4.96 118.68 113.12 1x01 s LEU 4 Ca 0.45 2.27 0.08 0.00 -1.03 0.00 0.00 54.13 55.90 1x01 s LEU 4 Cb -0.20 -4.12 0.18 0.00 0.03 0.00 0.00 46.19 42.08 1x01 s LEU 4 CO 0.56 -0.71 1.13 0.29 0.23 0.00 0.00 176.35 177.84 1x01 n LYS 5 N -0.12 2.67 -1.60 1.70 4.76 -1.26 -5.06 118.16 119.25 1x01 n LYS 5 Ca 0.05 -1.95 -0.32 0.00 -2.87 0.00 0.00 58.31 53.22 1x01 n LYS 5 Cb 0.48 -1.23 0.06 0.00 -1.84 0.00 0.00 35.03 32.49 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 -1.49 3.54 -0.12 -0.18 -4.23 -1.26 -5.01 115.64 106.88 1x01 s THR 6 Ca 0.15 0.59 -0.28 0.00 -1.18 0.00 0.00 61.69 60.98 1x01 s THR 6 Cb 0.11 -3.15 -0.25 0.00 1.34 0.00 0.00 72.50 70.56 1x01 s THR 6 CO 0.05 -0.56 0.82 0.28 -0.54 0.00 0.00 174.62 174.68 1x01 h SER 7 N -0.45 -0.00 0.00 3.99 0.02 -1.97 -3.45 113.55 111.69 1x01 h SER 7 Ca -0.45 -0.90 0.00 0.00 -0.84 0.00 0.00 61.79 59.60 1x01 h SER 7 Cb 1.23 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.77 1x01 h SER 7 CO 0.54 0.91 -0.38 -0.38 -1.14 0.00 0.00 176.83 176.39 1x01 n ILE 8 N -4.65 0.59 -2.29 3.27 5.41 -1.26 -4.85 119.36 115.58 1x01 n ILE 8 Ca -0.10 0.20 -0.43 0.00 1.00 0.00 0.00 62.75 63.42 1x01 n ILE 8 Cb 0.43 -1.39 -0.02 0.00 -0.71 0.00 0.00 39.64 37.95 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 3.95 0.00 1.39 1.01 -1.26 -2.50 121.20 121.79 1x01 s ILE 9 Ca 0.00 1.08 0.00 0.00 0.00 0.00 0.00 60.65 61.73 1x01 s ILE 9 Cb 0.00 -3.96 0.00 0.00 0.01 0.00 0.00 42.46 38.51 1x01 s ILE 9 CO 0.00 -0.38 0.00 0.61 0.00 0.00 0.00 174.94 175.17 1x01 n GLY 10 N 4.43 1.03 0.25 6.18 0.00 0.91 -4.70 105.19 113.28 1x01 n GLY 10 Ca 0.16 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.20 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 2.38 0.31 -4.00 1.61 3.08 -1.59 -3.42 114.38 112.75 1x01 h ARG 11 Ca 0.00 -0.07 -0.18 0.00 0.07 0.00 0.00 59.98 59.80 1x01 h ARG 11 Cb 0.00 -0.05 -0.22 0.00 0.08 0.00 0.00 29.97 29.79 1x01 h ARG 11 CO 0.00 0.41 -0.70 1.03 -1.07 0.00 0.00 179.97 179.64 1x01 s ARG 12 N -4.82 0.30 -0.02 0.04 0.52 -1.26 -5.06 118.95 108.64 1x01 s ARG 12 Ca -0.06 -0.57 -0.01 0.00 -0.52 0.00 0.00 55.73 54.58 1x01 s ARG 12 Cb 0.16 0.07 0.02 0.00 0.52 0.00 0.00 34.95 35.72 1x01 s ARG 12 CO 0.74 -0.04 0.04 0.08 0.02 0.00 0.00 175.30 176.14 1x01 s VAL 13 N -1.33 -0.04 -0.24 3.52 1.01 -1.26 -1.62 120.40 120.44 1x01 s VAL 13 Ca -0.14 0.15 -0.01 0.00 0.00 0.00 0.00 61.98 61.98 1x01 s VAL 13 Cb -0.09 -0.09 0.03 0.00 0.00 0.00 0.00 36.38 36.23 1x01 s VAL 13 CO -0.01 0.06 -0.08 -0.63 0.00 0.00 0.00 175.10 174.44 1x01 s ILE 14 N 0.79 2.71 -0.10 2.22 1.01 0.78 -4.95 121.20 123.66 1x01 s ILE 14 Ca -0.06 -1.07 -0.04 0.00 0.00 0.00 0.00 60.65 59.47 1x01 s ILE 14 Cb -0.09 -2.37 -0.04 0.00 0.01 0.00 0.00 42.46 39.97 1x01 s ILE 14 CO -0.02 0.22 0.06 -0.47 0.00 0.00 0.00 174.94 174.72 1x01 s TYR 15 N 1.30 3.34 -0.03 3.97 6.14 -1.26 -1.33 117.35 129.48 1x01 s TYR 15 Ca -0.00 0.33 0.04 0.00 0.64 0.00 0.00 57.07 58.08 1x01 s TYR 15 Cb -0.16 -1.86 -0.01 0.00 0.42 0.00 0.00 41.96 40.35 1x01 s TYR 15 CO -0.06 0.57 -0.16 -0.06 0.64 0.00 0.00 175.55 176.49 1x01 s PHE 16 N -0.91 1.57 0.30 4.97 0.40 -0.12 -4.99 117.98 119.21 1x01 s PHE 16 Ca 0.14 -0.40 0.03 0.00 -0.60 0.00 0.00 56.93 56.09 1x01 s PHE 16 Cb -0.12 -1.05 0.48 0.00 0.51 0.00 0.00 43.02 42.84 1x01 s PHE 16 CO 0.03 -0.12 1.79 1.96 0.70 0.00 0.00 175.22 179.58 1x01 h GLN 17 N 6.12 0.55 -2.39 0.44 4.20 -1.94 -0.82 115.11 121.28 1x01 h GLN 17 Ca -0.34 -0.16 -0.08 0.00 0.06 0.00 0.00 58.65 58.14 1x01 h GLN 17 Cb 1.17 -0.06 -0.20 0.00 0.30 0.00 0.00 27.48 28.69 1x01 h GLN 17 CO 0.48 0.65 0.01 -2.00 -0.67 0.00 0.00 178.83 177.30 1x01 s GLU 18 N -4.78 0.88 0.14 1.46 2.12 -1.26 -3.45 118.70 113.81 1x01 s GLU 18 Ca -0.08 0.18 -0.18 0.00 0.36 0.00 0.00 54.97 55.25 1x01 s GLU 18 Cb 0.15 0.41 0.05 0.00 0.26 0.00 0.00 34.13 34.99 1x01 s GLU 18 CO 0.78 -0.25 0.47 -1.50 -0.54 0.00 0.00 175.26 174.22 1x01 s ILE 19 N -1.05 0.05 -0.02 -3.70 2.07 -0.86 -4.99 121.20 112.69 1x01 s ILE 19 Ca -0.11 -0.41 -0.24 0.00 -1.41 0.00 0.00 60.65 58.48 1x01 s ILE 19 Cb -0.02 -1.13 -0.18 0.00 0.13 0.00 0.00 42.46 41.25 1x01 s ILE 19 CO 0.07 -0.21 1.16 0.71 -1.91 0.00 0.00 174.94 174.76 1x01 h THR 20 N 2.25 1.05 -2.05 4.00 1.35 -1.93 0.98 112.91 118.56 1x01 h THR 20 Ca -0.34 -0.98 0.02 0.00 -0.55 0.00 0.00 66.41 64.56 1x01 h THR 20 Cb 1.27 1.64 -0.21 0.00 -1.73 0.00 0.00 68.15 69.12 1x01 h THR 20 CO 0.44 0.22 -0.02 -0.55 -0.25 0.00 0.00 175.52 175.36 1x01 s SER 21 N -5.46 -0.94 0.30 5.36 0.15 -1.26 0.25 113.70 112.11 1x01 s SER 21 Ca -0.15 1.48 0.07 0.00 0.70 0.00 0.00 55.95 58.05 1x01 s SER 21 Cb 0.01 1.45 0.48 0.00 -1.71 0.00 0.00 66.02 66.26 1x01 s SER 21 CO 0.59 -0.23 1.72 0.71 1.20 0.00 0.00 173.24 177.22 1x01 h THR 22 N 5.16 1.30 -0.33 6.45 1.35 -1.92 -2.27 112.91 122.65 1x01 h THR 22 Ca -0.29 -1.46 -0.06 0.00 -0.55 0.00 0.00 66.41 64.06 1x01 h THR 22 Cb 1.21 1.64 -0.01 0.00 -1.73 0.00 0.00 68.15 69.26 1x01 h THR 22 CO 0.16 0.44 -0.02 0.78 -0.25 0.00 0.00 175.52 176.63 1x01 h ASN 23 N 0.21 0.59 -0.65 5.36 4.21 -1.93 -0.76 115.58 122.60 1x01 h ASN 23 Ca 0.02 -0.32 -0.07 0.00 1.21 0.00 0.00 56.30 57.14 1x01 h ASN 23 Cb 0.78 -0.16 -0.03 0.00 -1.12 0.00 0.00 38.32 37.79 1x01 h ASN 23 CO 0.06 0.78 0.16 -0.33 -1.29 0.00 0.00 177.43 176.80 1x01 h GLU 24 N 0.40 1.07 -0.44 0.81 4.39 -1.95 -0.73 114.58 118.13 1x01 h GLU 24 Ca 0.09 -0.25 -0.11 0.00 0.34 0.00 0.00 59.36 59.43 1x01 h GLU 24 Cb 0.48 -0.14 -0.01 0.00 -0.10 0.00 0.00 28.75 28.98 1x01 h GLU 24 CO 0.02 0.95 -0.15 0.35 -1.16 0.00 0.00 179.01 179.01 1x01 h PHE 25 N 1.01 1.01 -0.54 4.33 3.57 -1.29 -1.58 116.94 123.46 1x01 h PHE 25 Ca 0.21 -0.23 -0.05 0.00 3.53 0.00 0.00 57.97 61.43 1x01 h PHE 25 Cb 0.36 -0.24 -0.02 0.00 2.79 0.00 0.00 35.95 38.84 1x01 h PHE 25 CO 0.03 1.01 0.15 0.00 -2.23 0.00 0.00 178.31 177.26 1x01 h ALA 26 N 0.85 0.70 -0.48 2.41 0.00 -0.89 -1.20 119.26 120.66 1x01 h ALA 26 Ca 0.11 -0.21 -0.09 0.00 0.00 0.00 0.00 54.91 54.72 1x01 h ALA 26 Cb 0.71 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 18.28 1x01 h ALA 26 CO 0.05 0.39 -0.07 0.87 0.00 0.00 0.00 179.25 180.49 1x01 h LYS 27 N 0.75 0.89 0.07 0.00 1.57 -1.05 -3.32 116.57 115.47 1x01 h LYS 27 Ca 0.17 -0.32 -0.28 0.00 -1.87 0.00 0.00 60.65 58.35 1x01 h LYS 27 Cb 0.31 -0.06 0.02 0.00 0.08 0.00 0.00 32.23 32.58 1x01 h LYS 27 CO -0.00 0.96 -1.14 1.15 -0.57 0.00 0.00 179.45 179.85 1x01 h THR 28 N 0.74 1.32 -4.18 -0.16 2.02 -1.23 -3.47 112.91 107.95 1x01 h THR 28 Ca 0.13 -2.46 -0.47 0.00 0.77 0.00 0.00 66.41 64.38 1x01 h THR 28 Cb 0.61 2.58 0.02 0.00 -1.74 0.00 0.00 68.15 69.62 1x01 h THR 28 CO 0.04 0.74 0.37 -0.44 0.37 0.00 0.00 175.52 176.61 1x01 s SER 29 N -7.30 6.59 -0.55 4.18 0.01 -0.46 -5.00 113.70 111.16 1x01 s SER 29 Ca -0.08 1.61 -0.26 0.00 1.31 0.00 0.00 55.95 58.52 1x01 s SER 29 Cb 0.07 -2.51 0.04 0.00 0.21 0.00 0.00 66.02 63.82 1x01 s SER 29 CO 0.91 -0.61 1.04 -0.31 0.41 0.00 0.00 173.24 174.68 1x01 s TYR 30 N -2.56 2.73 0.03 2.43 2.02 -1.26 -4.92 117.35 115.81 1x01 s TYR 30 Ca 0.60 0.19 0.03 0.00 -0.37 0.00 0.00 57.07 57.52 1x01 s TYR 30 Cb -0.10 -4.24 -0.02 0.00 -0.40 0.00 0.00 41.96 37.20 1x01 s TYR 30 CO 0.30 -1.42 -0.09 -0.51 -1.57 0.00 0.00 175.55 172.25 1x01 s LEU 31 N 4.33 2.15 0.52 -1.29 1.43 -1.26 -5.15 118.68 119.41 1x01 s LEU 31 Ca 0.36 -0.37 -0.17 0.00 -1.03 0.00 0.00 54.13 52.91 1x01 s LEU 31 Cb -0.10 -0.35 -0.07 0.00 0.03 0.00 0.00 46.19 45.69 1x01 s LEU 31 CO 0.22 -0.04 1.00 -1.61 0.23 0.00 0.00 176.35 176.16 1x01 s GLU 32 N -0.96 3.84 0.30 1.70 2.02 -1.26 -4.98 118.70 119.36 1x01 s GLU 32 Ca -0.02 1.08 -0.29 0.00 0.02 0.00 0.00 54.97 55.75 1x01 s GLU 32 Cb -0.07 -2.12 -0.13 0.00 0.10 0.00 0.00 34.13 31.92 1x01 s GLU 32 CO 0.00 -0.37 1.33 -1.91 0.02 0.00 0.00 175.26 174.34 1x01 n GLU 33 N -1.47 2.08 0.00 1.61 2.13 -1.26 -2.04 120.64 121.69 1x01 n GLU 33 Ca 0.07 0.73 0.00 0.00 0.66 0.00 0.00 57.16 58.63 1x01 n GLU 33 Cb 0.54 -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 1.34 1.65 3.69 8.31 0.00 0.08 -4.87 105.19 115.39 1x01 n GLY 34 Ca 0.08 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.67 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 -2.36 3.30 -0.18 2.61 2.01 -0.87 -0.06 115.64 120.09 1x01 s THR 35 Ca 0.00 0.78 -0.08 0.00 0.31 0.00 0.00 61.69 62.70 1x01 s THR 35 Cb 0.00 -3.50 -0.04 0.00 0.01 0.00 0.00 72.50 68.96 1x01 s THR 35 CO 0.00 0.01 0.09 -0.69 -0.69 0.00 0.00 174.62 173.34 1x01 s VAL 36 N 2.21 5.04 -0.25 3.82 1.01 -0.64 -1.65 120.40 129.95 1x01 s VAL 36 Ca 0.68 0.06 -0.05 0.00 0.00 0.00 0.00 61.98 62.67 1x01 s VAL 36 Cb -0.36 -3.28 -0.01 0.00 0.00 0.00 0.00 36.38 32.73 1x01 s VAL 36 CO 0.30 0.46 0.02 -0.63 0.00 0.00 0.00 175.10 175.25 1x01 s ILE 37 N 0.26 3.77 -0.01 2.22 -1.09 0.76 -0.15 121.20 126.96 1x01 s ILE 37 Ca 0.06 -0.47 0.02 0.00 -2.23 0.00 0.00 60.65 58.03 1x01 s ILE 37 Cb -0.12 -2.80 -0.01 0.00 -1.58 0.00 0.00 42.46 37.96 1x01 s ILE 37 CO -0.00 0.30 -0.08 0.54 -1.23 0.00 0.00 174.94 174.47 1x01 s VAL 38 N 1.52 0.63 0.03 2.92 0.11 -0.44 -0.33 120.40 124.84 1x01 s VAL 38 Ca 0.05 -0.35 0.02 0.00 -2.93 0.00 0.00 61.98 58.77 1x01 s VAL 38 Cb -0.15 -0.53 -0.02 0.00 -1.53 0.00 0.00 36.38 34.14 1x01 s VAL 38 CO 0.00 0.17 -0.08 0.00 -3.33 0.00 0.00 175.10 171.87 1x01 s ALA 39 N -0.20 0.58 0.45 1.54 0.00 -0.76 -0.94 121.76 122.42 1x01 s ALA 39 Ca 0.03 -0.65 0.13 0.00 0.00 0.00 0.00 51.96 51.47 1x01 s ALA 39 Cb -0.03 -0.00 1.00 0.00 0.00 0.00 0.00 23.12 24.09 1x01 s ALA 39 CO -0.00 0.02 2.03 -0.44 0.00 0.00 0.00 175.76 177.37 1x01 h ASP 40 N 4.86 0.12 -4.92 0.00 3.32 -1.17 -3.37 116.42 115.26 1x01 h ASP 40 Ca -0.34 -0.01 -0.05 0.00 0.02 0.00 0.00 57.03 56.65 1x01 h ASP 40 Cb 1.20 -0.03 -0.19 0.00 0.22 0.00 0.00 39.33 40.53 1x01 h ASP 40 CO 0.43 0.20 0.22 -1.59 -1.72 0.00 0.00 179.24 176.78 1x01 s LYS 41 N -4.89 1.02 -0.08 3.56 -2.85 -1.23 -3.74 119.74 111.53 1x01 s LYS 41 Ca -0.05 0.23 0.02 0.00 -1.00 0.00 0.00 55.97 55.17 1x01 s LYS 41 Cb 0.16 0.48 -0.03 0.00 -2.06 0.00 0.00 37.83 36.39 1x01 s LYS 41 CO 0.70 -0.32 -0.11 -0.65 0.10 0.00 0.00 175.35 175.07 1x01 s GLN 42 N -1.25 2.80 0.13 1.78 -0.21 -0.88 -2.03 119.66 120.01 1x01 s GLN 42 Ca -0.10 -0.64 0.22 0.00 0.02 0.00 0.00 55.36 54.87 1x01 s GLN 42 Cb -0.00 -2.52 -0.11 0.00 1.00 0.00 0.00 33.01 31.38 1x01 s GLN 42 CO 0.09 0.54 0.86 0.25 -2.12 0.00 0.00 175.29 174.91 1x01 n THR 43 N 2.57 0.43 -2.89 -0.19 -2.24 0.34 -4.40 114.28 107.89 1x01 n THR 43 Ca -0.18 -0.53 -0.13 0.00 -2.27 0.00 0.00 64.05 60.94 1x01 n THR 43 Cb 0.53 -0.23 0.01 0.00 -2.10 0.00 0.00 70.33 68.53 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 -2.54 1.07 -3.20 -0.78 2.81 0.14 -5.03 117.12 109.58 1x01 n MET 44 Ca -0.01 -3.27 -0.35 0.00 -1.81 0.00 0.00 57.70 52.26 1x01 n MET 44 Cb 0.56 -1.42 -0.06 0.00 -0.71 0.00 0.00 33.22 31.59 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 -2.78 2.49 0.29 3.03 0.00 -1.18 -4.48 107.32 104.69 1x01 s GLY 45 Ca 0.32 0.02 0.06 0.00 0.00 0.00 0.00 44.72 45.12 1x01 s GLY 45 CO -0.01 0.31 -0.02 0.30 0.00 0.00 0.00 173.10 173.67 1x01 s HIS 46 N -1.62 1.93 0.22 1.90 3.76 -1.26 -1.40 115.29 118.81 1x01 s HIS 46 Ca 0.44 -0.78 0.04 0.00 -0.15 0.00 0.00 55.06 54.61 1x01 s HIS 46 Cb -0.14 -1.15 0.04 0.00 1.11 0.00 0.00 32.58 32.43 1x01 s HIS 46 CO 0.20 0.19 0.30 0.41 -0.85 0.00 0.00 174.74 174.99 1x01 n GLY 47 N -0.60 1.91 0.35 -2.22 0.00 0.18 -4.72 105.19 100.10 1x01 n GLY 47 Ca -0.05 -2.16 -0.00 0.00 0.00 0.00 0.00 46.02 43.81 1x01 n GLY 47 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 1x01 h ARG 48 N 0.00 1.05 0.00 1.61 2.43 -1.88 -0.19 114.38 117.40 1x01 h ARG 48 Ca -0.10 -0.08 0.00 0.00 -0.81 0.00 0.00 59.98 58.99 1x01 h ARG 48 Cb 0.46 -0.23 0.00 0.00 -0.42 0.00 0.00 29.97 29.79 1x01 h ARG 48 CO 0.14 0.72 0.00 1.28 -1.51 0.00 0.00 179.97 180.60 1x01 n LEU 49 N -4.40 0.00 -1.13 3.80 4.32 -1.26 -4.84 117.00 113.50 1x01 n LEU 49 Ca 0.09 0.00 -0.12 0.00 -0.02 0.00 0.00 56.01 55.95 1x01 n LEU 49 Cb 0.05 0.00 -0.03 0.00 -1.62 0.00 0.00 43.42 41.82 1x01 n LEU 49 CO 0.37 0.00 -0.13 -3.20 -1.22 0.00 0.00 177.39 173.21 1x01 n ASN 50 N -0.55 -4.19 -4.96 -1.43 5.15 -0.08 -5.01 115.26 104.19 1x01 n ASN 50 Ca 0.03 0.16 -0.22 0.00 -0.60 0.00 0.00 54.58 53.95 1x01 n ASN 50 Cb 0.01 -3.04 0.00 0.00 -0.53 0.00 0.00 39.78 36.23 1x01 n ASN 50 CO 0.00 0.00 0.00 -0.13 1.40 0.00 0.00 177.26 178.53 1x01 s ARG 51 N -3.72 3.13 0.18 1.20 0.52 -1.26 -4.72 118.95 114.28 1x01 s ARG 51 Ca 0.00 -0.60 -0.31 0.00 -0.52 0.00 0.00 55.73 54.30 1x01 s ARG 51 Cb 0.00 -2.64 -0.09 0.00 0.52 0.00 0.00 34.95 32.74 1x01 s ARG 51 CO 0.00 -0.13 1.45 0.21 0.02 0.00 0.00 175.30 176.85 1x01 s LYS 52 N -4.43 4.28 -0.17 3.54 2.47 -1.26 0.52 119.74 124.68 1x01 s LYS 52 Ca 0.46 2.24 0.01 0.00 -1.56 0.00 0.00 55.97 57.12 1x01 s LYS 52 Cb -0.10 -3.17 0.02 0.00 -1.46 0.00 0.00 37.83 33.12 1x01 s LYS 52 CO 0.36 -0.47 -0.20 -0.46 0.16 0.00 0.00 175.35 174.75 1x01 s TRP 53 N 0.67 2.71 0.02 4.03 -0.11 -0.49 -4.73 118.94 121.03 1x01 s TRP 53 Ca 0.64 -1.58 -0.30 0.00 1.22 0.00 0.00 56.10 56.08 1x01 s TRP 53 Cb -0.41 -1.88 -0.06 0.00 -1.50 0.00 0.00 33.47 29.63 1x01 s TRP 53 CO 0.35 -0.78 1.42 -1.21 -4.62 0.00 0.00 176.95 172.11 1x01 s GLU 54 N 1.27 4.28 -0.44 5.86 0.41 -1.26 -4.31 118.70 124.50 1x01 s GLU 54 Ca 0.04 2.00 0.10 0.00 -0.41 0.00 0.00 54.97 56.70 1x01 s GLU 54 Cb -0.13 -3.54 0.37 0.00 -1.78 0.00 0.00 34.13 29.05 1x01 s GLU 54 CO -0.12 -0.57 0.89 0.43 -0.49 0.00 0.00 175.26 175.40 1x01 n SER 55 N 5.23 2.67 -4.74 -0.19 7.64 -1.26 -5.06 113.62 117.91 1x01 n SER 55 Ca 0.13 -3.29 -0.29 0.00 1.01 0.00 0.00 58.87 56.43 1x01 n SER 55 Cb 0.43 -0.57 0.14 0.00 -1.01 0.00 0.00 64.21 63.21 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 -3.03 1.14 0.51 1.43 0.04 -1.26 -2.07 135.00 131.77 1x01 s PRO 56 Ca 0.42 0.56 -0.23 0.00 0.04 0.00 0.00 61.00 61.79 1x01 s PRO 56 Cb 0.35 -1.82 -0.06 0.00 0.04 0.00 0.00 34.50 33.01 1x01 s PRO 56 CO -0.10 -2.25 1.35 -1.21 0.04 0.00 0.00 177.00 174.83 1x01 s GLU 57 N -5.08 3.34 0.00 4.56 2.02 -1.25 -3.21 118.70 119.09 1x01 s GLU 57 Ca 0.64 2.21 0.00 0.00 0.02 0.00 0.00 54.97 57.84 1x01 s GLU 57 Cb -0.17 -2.36 0.00 0.00 0.10 0.00 0.00 34.13 31.70 1x01 s GLU 57 CO 0.56 -1.02 0.00 0.41 0.02 0.00 0.00 175.26 175.22 1x01 n GLY 58 N 0.67 2.51 4.01 -1.39 0.00 -1.26 -4.22 105.19 105.50 1x01 n GLY 58 Ca 0.09 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.91 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 -2.31 1.83 -0.38 -0.02 0.00 -1.20 -0.69 107.32 104.55 1x01 s GLY 59 Ca 0.00 -1.79 -0.07 0.00 0.00 0.00 0.00 44.72 42.86 1x01 s GLY 59 CO 0.00 -1.44 0.18 -2.27 0.00 0.00 0.00 173.10 169.57 1x01 s LEU 60 N -4.62 4.78 -0.31 0.66 2.96 0.49 -4.88 118.68 117.76 1x01 s LEU 60 Ca 0.59 -1.37 -0.01 0.00 -0.22 0.00 0.00 54.13 53.12 1x01 s LEU 60 Cb -0.08 -1.92 0.06 0.00 0.50 0.00 0.00 46.19 44.75 1x01 s LEU 60 CO 0.37 -0.44 0.01 0.26 -1.32 0.00 0.00 176.35 175.23 1x01 s TRP 61 N 1.39 3.32 0.12 5.38 0.52 -1.26 -1.16 118.94 127.26 1x01 s TRP 61 Ca 0.01 -2.04 -0.06 0.00 0.02 0.00 0.00 56.10 54.03 1x01 s TRP 61 Cb -0.21 -2.24 -0.02 0.00 -1.15 0.00 0.00 33.47 29.85 1x01 s TRP 61 CO 0.02 -0.84 0.16 -0.48 0.02 0.00 0.00 176.95 175.84 1x01 s LEU 62 N 1.20 1.48 0.01 2.99 0.05 -0.75 -1.83 118.68 121.83 1x01 s LEU 62 Ca -0.04 -0.90 0.00 0.00 0.05 0.00 0.00 54.13 53.25 1x01 s LEU 62 Cb -0.20 0.82 -0.01 0.00 -2.05 0.00 0.00 46.19 44.75 1x01 s LEU 62 CO -0.02 -0.77 -0.02 -0.44 -0.55 0.00 0.00 176.35 174.55 1x01 s SER 63 N -2.95 0.18 -0.09 1.48 0.01 0.56 -0.72 113.70 112.17 1x01 s SER 63 Ca 0.14 -0.23 0.03 0.00 1.31 0.00 0.00 55.95 57.20 1x01 s SER 63 Cb 0.05 0.04 0.01 0.00 0.21 0.00 0.00 66.02 66.32 1x01 s SER 63 CO -0.04 -0.12 -0.20 -0.63 0.41 0.00 0.00 173.24 172.66 1x01 s ILE 64 N -0.64 1.74 -0.11 1.44 1.01 0.19 -0.17 121.20 124.66 1x01 s ILE 64 Ca -0.07 -0.83 -0.26 0.00 0.00 0.00 0.00 60.65 59.49 1x01 s ILE 64 Cb -0.05 -1.52 -0.02 0.00 0.01 0.00 0.00 42.46 40.88 1x01 s ILE 64 CO -0.00 0.49 0.85 -0.69 0.00 0.00 0.00 174.94 175.59 1x01 s VAL 65 N 0.49 4.90 0.07 2.92 1.01 -0.66 -0.78 120.40 128.36 1x01 s VAL 65 Ca -0.17 1.73 0.04 0.00 0.00 0.00 0.00 61.98 63.58 1x01 s VAL 65 Cb -0.17 -4.17 -0.03 0.00 0.00 0.00 0.00 36.38 32.01 1x01 s VAL 65 CO 0.07 0.10 -0.12 -0.76 0.00 0.00 0.00 175.10 174.38 1x01 s LEU 66 N 1.63 2.31 -0.40 3.92 1.43 0.14 -0.75 118.68 126.96 1x01 s LEU 66 Ca 0.42 -0.66 0.08 0.00 -1.03 0.00 0.00 54.13 52.94 1x01 s LEU 66 Cb -0.18 -0.39 0.26 0.00 0.03 0.00 0.00 46.19 45.91 1x01 s LEU 66 CO 0.17 -0.15 0.60 -0.24 0.23 0.00 0.00 176.35 176.96 1x01 n SER 67 N 1.11 -0.25 -4.74 2.29 2.88 -1.26 -0.45 113.62 113.20 1x01 n SER 67 Ca -0.20 -2.83 -0.41 0.00 -1.33 0.00 0.00 58.87 54.10 1x01 n SER 67 Cb 0.55 -0.24 -0.03 0.00 -0.75 0.00 0.00 64.21 63.74 1x01 n SER 67 CO 0.00 0.00 0.00 -2.16 -1.23 0.00 0.00 175.04 171.65 1x01 s PRO 68 N -1.01 4.39 -0.94 -1.46 0.04 -1.26 -4.95 135.00 129.81 1x01 s PRO 68 Ca 0.35 2.06 0.00 0.00 0.04 0.00 0.00 61.00 63.45 1x01 s PRO 68 Cb 0.20 -3.19 0.32 0.00 0.04 0.00 0.00 34.50 31.87 1x01 s PRO 68 CO -0.13 -0.25 1.65 1.63 0.04 0.00 0.00 177.00 179.95 1x01 n LYS 69 N 2.57 5.01 -4.42 4.56 4.76 -1.26 -4.98 118.16 124.39 1x01 n LYS 69 Ca 0.06 -4.71 -0.24 0.00 -2.87 0.00 0.00 58.31 50.55 1x01 n LYS 69 Cb 0.43 -2.43 -0.09 0.00 -1.84 0.00 0.00 35.03 31.10 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 -4.34 2.61 0.47 -0.18 -7.23 -1.26 -5.10 120.40 105.37 1x01 s VAL 70 Ca 0.41 -2.16 -0.22 0.00 -1.81 0.00 0.00 61.98 58.20 1x01 s VAL 70 Cb 0.21 -2.60 -0.10 0.00 0.56 0.00 0.00 36.38 34.44 1x01 s VAL 70 CO -0.13 -0.29 0.80 -2.65 -0.31 0.00 0.00 175.10 172.52 1x01 n PRO 71 N -0.80 0.94 0.09 4.82 -0.02 -1.26 -4.81 135.00 133.95 1x01 n PRO 71 Ca -0.05 0.34 0.07 0.00 -2.02 0.00 0.00 63.50 61.85 1x01 n PRO 71 Cb 0.61 -1.87 0.36 0.00 -0.02 0.00 0.00 33.50 32.58 1x01 n PRO 71 CO 0.00 0.00 0.00 0.94 1.98 0.00 0.00 175.50 178.42 1x01 n GLN 72 N 0.05 0.09 0.19 -0.52 7.27 -1.26 -1.62 117.38 121.57 1x01 n GLN 72 Ca 0.11 0.51 0.07 0.00 0.07 0.00 0.00 57.00 57.76 1x01 n GLN 72 Cb 0.42 -1.75 0.19 0.00 2.41 0.00 0.00 30.24 31.52 1x01 n GLN 72 CO 0.00 0.00 0.00 1.57 0.07 0.00 0.00 177.06 178.70 1x01 h LYS 73 N 0.00 0.00 0.00 3.69 2.10 -2.04 -3.24 116.57 117.08 1x01 h LYS 73 Ca 0.00 0.00 -0.06 0.00 -2.00 0.00 0.00 60.65 58.59 1x01 h LYS 73 Cb 0.09 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 31.41 1x01 h LYS 73 CO 0.00 0.29 -1.32 -0.25 -2.00 0.00 0.00 179.45 176.17 1x01 n ASP 74 N -3.23 0.70 -0.40 7.07 8.00 -0.64 -4.40 116.55 123.65 1x01 n ASP 74 Ca 0.02 0.28 0.32 0.00 0.71 0.00 0.00 54.79 56.13 1x01 n ASP 74 Cb 0.59 0.62 0.60 0.00 -0.02 0.00 0.00 41.12 42.91 1x01 n ASP 74 CO 0.00 0.00 0.00 -0.07 -0.39 0.00 0.00 177.20 176.74 1x01 h LEU 75 N 0.00 0.31 0.00 0.64 3.38 -1.57 0.25 115.31 118.31 1x01 h LEU 75 Ca -0.07 0.12 0.00 0.00 0.09 0.00 0.00 57.88 58.03 1x01 h LEU 75 Cb 1.21 0.10 0.00 0.00 0.09 0.00 0.00 40.66 42.05 1x01 h LEU 75 CO 0.01 -0.11 0.00 -2.65 0.09 0.00 0.00 178.44 175.79 1x01 n PRO 76 N -4.69 0.35 0.00 1.13 -0.02 -1.26 -2.73 135.00 127.78 1x01 n PRO 76 Ca 0.34 0.08 0.13 0.00 -2.02 0.00 0.00 63.50 62.02 1x01 n PRO 76 Cb 1.26 -1.50 0.39 0.00 -0.02 0.00 0.00 33.50 33.63 1x01 n PRO 76 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11 1x01 n LYS 77 N -1.16 1.15 -0.24 -0.52 5.02 0.88 -4.13 118.16 119.15 1x01 n LYS 77 Ca 0.10 -0.70 0.00 0.00 -2.02 0.00 0.00 58.31 55.68 1x01 n LYS 77 Cb 0.10 -1.49 0.22 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 1.72 1.20 -0.68 -0.18 1.08 -1.68 -1.51 117.51 117.46 1x01 h ILE 78 Ca 0.00 -0.37 0.00 0.00 -0.39 0.00 0.00 64.86 64.10 1x01 h ILE 78 Cb 0.53 0.03 -0.03 0.00 -3.07 0.00 0.00 36.82 34.28 1x01 h ILE 78 CO 0.00 0.20 0.44 1.62 -0.69 0.00 0.00 178.15 179.72 1x01 h VAL 79 N 1.08 1.18 -0.48 1.67 3.04 -1.84 -2.12 116.25 118.78 1x01 h VAL 79 Ca 0.29 -0.34 -0.05 0.00 -1.01 0.00 0.00 66.70 65.59 1x01 h VAL 79 Cb -0.13 0.19 -0.02 0.00 -2.01 0.00 0.00 31.29 29.32 1x01 h VAL 79 CO -0.06 0.17 0.09 -0.26 -1.01 0.00 0.00 177.57 176.50 1x01 h PHE 80 N 0.92 0.77 -0.73 3.17 0.04 -1.54 -1.73 116.94 117.84 1x01 h PHE 80 Ca 0.25 -0.07 0.04 0.00 2.80 0.00 0.00 57.97 60.98 1x01 h PHE 80 Cb -0.09 -0.22 -0.05 0.00 2.20 0.00 0.00 35.95 37.78 1x01 h PHE 80 CO 0.00 0.67 0.45 -0.07 -0.60 0.00 0.00 178.31 178.76 1x01 h LEU 81 N 0.72 0.73 0.13 1.54 3.38 -1.25 0.21 115.31 120.77 1x01 h LEU 81 Ca 0.16 0.01 -0.01 0.00 0.09 0.00 0.00 57.88 58.13 1x01 h LEU 81 Cb 0.31 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 40.91 1x01 h LEU 81 CO 0.00 0.50 -0.06 1.23 0.09 0.00 0.00 178.44 180.19 1x01 h GLY 82 N 0.87 -0.18 0.86 0.83 0.00 -1.31 -0.29 103.07 103.85 1x01 h GLY 82 Ca 0.30 0.07 0.02 0.00 0.00 0.00 0.00 47.33 47.73 1x01 h GLY 82 CO -0.13 -0.07 0.27 0.00 0.00 0.00 0.00 176.54 176.61 1x01 h ALA 83 N 0.47 0.59 -0.58 3.60 0.00 -0.96 -1.62 119.26 120.76 1x01 h ALA 83 Ca -0.02 -0.00 -0.09 0.00 0.00 0.00 0.00 54.91 54.79 1x01 h ALA 83 Cb 0.30 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.95 1x01 h ALA 83 CO 0.03 -0.05 -0.01 0.28 0.00 0.00 0.00 179.25 179.50 1x01 h VAL 84 N 0.53 1.27 -0.45 0.00 2.07 -0.58 -1.40 116.25 117.69 1x01 h VAL 84 Ca 0.19 -1.14 0.07 0.00 0.82 0.00 0.00 66.70 66.63 1x01 h VAL 84 Cb 0.03 0.85 -0.06 0.00 -1.52 0.00 0.00 31.29 30.59 1x01 h VAL 84 CO -0.10 0.41 0.11 1.23 0.02 0.00 0.00 177.57 179.24 1x01 h GLY 85 N 0.92 0.55 0.94 2.17 0.00 -0.65 -0.21 103.07 106.79 1x01 h GLY 85 Ca 0.16 -0.04 -0.01 0.00 0.00 0.00 0.00 47.33 47.45 1x01 h GLY 85 CO 0.03 -0.03 0.14 -2.08 0.00 0.00 0.00 176.54 174.59 1x01 h VAL 86 N 0.25 1.13 -0.54 4.60 2.07 -1.03 -1.89 116.25 120.85 1x01 h VAL 86 Ca 0.22 -0.37 0.08 0.00 0.82 0.00 0.00 66.70 67.45 1x01 h VAL 86 Cb 0.27 0.89 -0.06 0.00 -1.52 0.00 0.00 31.29 30.87 1x01 h VAL 86 CO -0.27 0.13 0.18 0.58 0.02 0.00 0.00 177.57 178.21 1x01 h VAL 87 N 0.31 0.79 -0.48 2.57 2.07 -0.51 0.81 116.25 121.81 1x01 h VAL 87 Ca 0.09 -0.12 -0.01 0.00 0.82 0.00 0.00 66.70 67.48 1x01 h VAL 87 Cb 0.09 0.41 -0.02 0.00 -1.52 0.00 0.00 31.29 30.25 1x01 h VAL 87 CO -0.01 0.06 0.25 -0.33 0.02 0.00 0.00 177.57 177.56 1x01 h GLU 88 N 0.35 0.68 -0.66 1.57 5.08 -0.88 -0.07 114.58 120.64 1x01 h GLU 88 Ca 0.26 -0.09 -0.01 0.00 -1.00 0.00 0.00 59.36 58.52 1x01 h GLU 88 Cb 0.31 -0.13 -0.03 0.00 0.50 0.00 0.00 28.75 29.40 1x01 h GLU 88 CO -0.28 0.55 0.36 1.15 -1.00 0.00 0.00 179.01 179.79 1x01 h THR 89 N 0.63 1.21 -0.87 1.13 2.02 -0.70 -1.58 112.91 114.76 1x01 h THR 89 Ca 0.17 -0.54 -0.02 0.00 0.77 0.00 0.00 66.41 66.79 1x01 h THR 89 Cb 0.08 0.35 -0.04 0.00 -1.74 0.00 0.00 68.15 66.80 1x01 h THR 89 CO -0.02 0.23 0.45 -0.07 0.37 0.00 0.00 175.52 176.48 1x01 h LEU 90 N 0.91 1.10 -1.01 2.58 3.38 -0.43 -2.17 115.31 119.68 1x01 h LEU 90 Ca 0.23 -0.11 -0.02 0.00 0.09 0.00 0.00 57.88 58.07 1x01 h LEU 90 Cb 0.05 -0.28 -0.04 0.00 0.09 0.00 0.00 40.66 40.48 1x01 h LEU 90 CO -0.04 0.90 0.44 0.11 0.09 0.00 0.00 178.44 179.94 1x01 h LYS 91 N 1.22 1.14 -0.18 1.13 1.57 -0.48 0.18 116.57 121.14 1x01 h LYS 91 Ca 0.30 -0.13 0.03 0.00 -1.87 0.00 0.00 60.65 58.98 1x01 h LYS 91 Cb 0.06 -0.22 -0.01 0.00 0.08 0.00 0.00 32.23 32.14 1x01 h LYS 91 CO -0.05 0.84 0.12 0.93 -0.57 0.00 0.00 179.45 180.73 1x01 h GLU 92 N 1.15 0.12 -0.62 3.15 5.08 -0.68 0.15 114.58 122.94 1x01 h GLU 92 Ca 0.29 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.64 1x01 h GLU 92 Cb 0.03 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.25 1x01 h GLU 92 CO -0.05 0.08 0.00 1.19 -1.00 0.00 0.00 179.01 179.24 1x01 n PHE 93 N -4.50 1.83 -3.75 4.33 3.01 -0.42 -4.94 117.46 113.03 1x01 n PHE 93 Ca 0.01 -0.65 -0.26 0.00 1.01 0.00 0.00 57.45 57.55 1x01 n PHE 93 Cb 0.17 -0.42 0.05 0.00 -0.01 0.00 0.00 39.48 39.27 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 0.74 -5.10 -4.26 4.37 7.64 0.54 -5.00 113.62 112.55 1x01 n SER 94 Ca 0.26 -0.67 -0.32 0.00 1.01 0.00 0.00 58.87 59.14 1x01 n SER 94 Cb 1.07 -4.44 -0.16 0.00 -1.01 0.00 0.00 64.21 59.67 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 -3.34 2.23 -1.26 0.44 1.01 0.49 -4.98 121.20 115.79 1x01 s ILE 95 Ca 0.56 -0.97 -0.15 0.00 0.00 0.00 0.00 60.65 60.09 1x01 s ILE 95 Cb -0.26 -1.86 0.13 0.00 0.01 0.00 0.00 42.46 40.48 1x01 s ILE 95 CO 0.78 0.56 1.61 -0.67 0.00 0.00 0.00 174.94 177.22 1x01 n ASP 96 N 3.40 5.05 -4.74 3.58 2.03 -1.26 -3.11 116.55 121.49 1x01 n ASP 96 Ca -0.19 -2.96 -0.41 0.00 0.52 0.00 0.00 54.79 51.76 1x01 n ASP 96 Cb 0.53 -1.64 -0.05 0.00 -0.72 0.00 0.00 41.12 39.24 1x01 n ASP 96 CO 0.00 0.00 0.00 -0.83 -1.92 0.00 0.00 177.20 174.45 1x01 s GLY 97 N 3.23 3.03 -0.00 0.27 0.00 -1.26 -4.54 107.32 108.04 1x01 s GLY 97 Ca 0.47 0.68 0.05 0.00 0.00 0.00 0.00 44.72 45.92 1x01 s GLY 97 CO 0.03 1.39 -0.14 0.50 0.00 0.00 0.00 173.10 174.88 1x01 s ARG 98 N -0.73 1.12 -0.10 2.90 0.52 0.88 -4.92 118.95 118.62 1x01 s ARG 98 Ca 0.45 -0.56 -0.27 0.00 -0.52 0.00 0.00 55.73 54.83 1x01 s ARG 98 Cb -0.27 -1.09 -0.02 0.00 0.52 0.00 0.00 34.95 34.09 1x01 s ARG 98 CO 0.33 0.29 0.86 0.42 0.02 0.00 0.00 175.30 177.23 1x01 s ILE 99 N -0.43 4.90 -0.36 1.52 1.01 0.10 0.56 121.20 128.51 1x01 s ILE 99 Ca 0.05 1.75 -0.13 0.00 0.00 0.00 0.00 60.65 62.32 1x01 s ILE 99 Cb -0.06 -4.18 0.00 0.00 0.01 0.00 0.00 42.46 38.23 1x01 s ILE 99 CO -0.00 0.10 0.24 -0.75 0.00 0.00 0.00 174.94 174.53 1x01 s LYS 100 N 1.56 3.21 0.27 2.79 2.20 0.91 -0.89 119.74 129.80 1x01 s LYS 100 Ca 0.43 -0.83 -0.29 0.00 -0.36 0.00 0.00 55.97 54.91 1x01 s LYS 100 Cb -0.18 -3.81 -0.14 0.00 -1.51 0.00 0.00 37.83 32.19 1x01 s LYS 100 CO 0.18 -0.57 1.14 1.87 -0.36 0.00 0.00 175.35 177.61 1x01 n TRP 101 N 5.08 1.55 0.72 4.03 -0.00 -1.26 -1.80 117.44 125.76 1x01 n TRP 101 Ca -0.12 0.64 0.08 0.00 -0.00 0.00 0.00 57.50 58.10 1x01 n TRP 101 Cb 0.48 -2.31 0.04 0.00 -0.00 0.00 0.00 31.31 29.52 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 1.07 1.51 0.00 5.87 -0.04 -1.26 -4.75 135.00 137.40 1x01 n PRO 102 Ca 0.10 -1.21 0.00 0.00 -0.04 0.00 0.00 63.50 62.36 1x01 n PRO 102 Cb 0.31 -1.31 0.00 0.00 -0.04 0.00 0.00 33.50 32.47 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 0.48 0.29 -4.66 3.54 6.94 -1.02 -4.63 115.26 116.20 1x01 n ASN 103 Ca 0.09 -1.06 -0.29 0.00 -0.02 0.00 0.00 54.58 53.29 1x01 n ASN 103 Cb 0.39 0.00 -0.08 0.00 -2.36 0.00 0.00 39.78 37.73 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 -0.06 4.84 -0.16 0.53 1.01 -0.75 -1.51 116.67 120.57 1x01 s ASP 104 Ca 0.00 -0.28 0.01 0.00 0.71 0.00 0.00 52.55 52.99 1x01 s ASP 104 Cb 0.00 -1.08 0.00 0.00 1.01 0.00 0.00 42.92 42.85 1x01 s ASP 104 CO 0.00 0.15 -0.17 -0.69 0.21 0.00 0.00 175.17 174.67 1x01 s VAL 105 N -1.42 2.45 0.19 -1.27 1.01 -0.70 -0.06 120.40 120.59 1x01 s VAL 105 Ca 0.25 -0.83 0.10 0.00 0.00 0.00 0.00 61.98 61.50 1x01 s VAL 105 Cb -0.11 -2.03 -0.04 0.00 0.00 0.00 0.00 36.38 34.20 1x01 s VAL 105 CO 0.18 0.52 -0.16 -0.76 0.00 0.00 0.00 175.10 174.87 1x01 s LEU 106 N 0.95 2.72 -0.20 3.92 1.43 0.19 -1.18 118.68 126.52 1x01 s LEU 106 Ca -0.03 -0.71 -0.00 0.00 -1.03 0.00 0.00 54.13 52.36 1x01 s LEU 106 Cb -0.15 -1.43 0.05 0.00 0.03 0.00 0.00 46.19 44.69 1x01 s LEU 106 CO -0.03 0.11 -0.05 -0.69 0.23 0.00 0.00 176.35 175.92 1x01 s VAL 107 N -1.69 1.28 -1.37 -1.59 1.01 0.12 -0.08 120.40 118.07 1x01 s VAL 107 Ca 0.23 -0.88 -0.09 0.00 0.00 0.00 0.00 61.98 61.24 1x01 s VAL 107 Cb -0.08 -1.50 0.02 0.00 0.00 0.00 0.00 36.38 34.81 1x01 s VAL 107 CO 0.13 0.02 1.16 0.59 0.00 0.00 0.00 175.10 176.99 1x01 n ASN 108 N 4.79 -6.01 -0.77 3.32 3.02 -1.26 -1.50 115.26 116.85 1x01 n ASN 108 Ca -0.12 -0.57 -0.10 0.00 -0.03 0.00 0.00 54.58 53.75 1x01 n ASN 108 Cb 0.46 -4.90 -0.04 0.00 -0.61 0.00 0.00 39.78 34.69 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 -4.94 0.00 -4.32 3.10 4.01 -1.26 -4.99 117.16 108.76 1x01 n TYR 109 Ca 0.00 0.00 -0.34 0.00 -0.16 0.00 0.00 57.90 57.40 1x01 n TYR 109 Cb 0.56 -2.18 -0.14 0.00 -0.31 0.00 0.00 39.34 37.27 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 -2.66 3.39 -0.01 -0.72 1.02 -0.56 -5.00 119.74 115.19 1x01 s LYS 110 Ca 0.00 -0.65 -0.30 0.00 0.02 0.00 0.00 55.97 55.04 1x01 s LYS 110 Cb 0.00 -2.82 -0.09 0.00 -0.52 0.00 0.00 37.83 34.40 1x01 s LYS 110 CO 0.00 0.01 2.01 1.17 -0.92 0.00 0.00 175.35 177.62 1x01 n LYS 111 N 4.14 2.71 -0.00 1.68 4.81 -1.24 -0.70 118.16 129.55 1x01 n LYS 111 Ca -0.18 0.97 0.04 0.00 -0.87 0.00 0.00 58.31 58.26 1x01 n LYS 111 Cb 0.52 -3.02 -0.05 0.00 0.02 0.00 0.00 35.03 32.49 1x01 n LYS 111 CO 0.00 0.00 0.00 1.51 1.17 0.00 0.00 177.40 180.08 1x01 n ILE 112 N 5.84 0.00 -3.53 3.15 3.06 -0.33 -0.82 119.36 126.73 1x01 n ILE 112 Ca 0.22 -0.26 -0.13 0.00 -2.50 0.00 0.00 62.75 60.07 1x01 n ILE 112 Cb 0.41 0.71 -0.05 0.00 0.54 0.00 0.00 39.64 41.25 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 -2.11 -1.83 0.02 1.51 0.00 -1.12 -1.26 121.76 116.98 1x01 s ALA 113 Ca 0.01 1.33 0.02 0.00 0.00 0.00 0.00 51.96 53.31 1x01 s ALA 113 Cb 0.06 -0.17 -0.02 0.00 0.00 0.00 0.00 23.12 22.99 1x01 s ALA 113 CO 0.34 -0.42 -0.07 0.20 0.00 0.00 0.00 175.76 175.81 1x01 s GLY 114 N -1.44 0.42 -0.05 0.00 0.00 -0.24 -1.72 107.32 104.29 1x01 s GLY 114 Ca -0.04 -0.55 0.06 0.00 0.00 0.00 0.00 44.72 44.18 1x01 s GLY 114 CO 0.02 -0.57 -0.23 0.14 0.00 0.00 0.00 173.10 172.47 1x01 s VAL 115 N -0.86 1.88 -0.09 1.40 1.01 -0.57 -1.02 120.40 122.14 1x01 s VAL 115 Ca -0.05 -0.98 -0.01 0.00 0.00 0.00 0.00 61.98 60.94 1x01 s VAL 115 Cb -0.07 -1.59 0.03 0.00 0.00 0.00 0.00 36.38 34.76 1x01 s VAL 115 CO 0.00 0.53 -0.00 -0.22 0.00 0.00 0.00 175.10 175.41 1x01 s LEU 116 N -0.19 0.75 -0.16 3.92 0.20 0.12 -4.74 118.68 118.58 1x01 s LEU 116 Ca -0.01 -0.22 -0.06 0.00 0.69 0.00 0.00 54.13 54.53 1x01 s LEU 116 Cb -0.12 -0.51 -0.04 0.00 -0.43 0.00 0.00 46.19 45.08 1x01 s LEU 116 CO 0.02 -0.20 0.04 -0.69 -0.29 0.00 0.00 176.35 175.24 1x01 s VAL 117 N 1.92 4.62 0.02 1.68 1.01 -1.26 -0.30 120.40 128.09 1x01 s VAL 117 Ca 0.04 -0.10 0.02 0.00 0.00 0.00 0.00 61.98 61.94 1x01 s VAL 117 Cb -0.13 -3.05 -0.01 0.00 0.00 0.00 0.00 36.38 33.19 1x01 s VAL 117 CO -0.06 0.50 -0.08 -1.61 0.00 0.00 0.00 175.10 173.85 1x01 s GLU 118 N 0.09 0.56 -0.30 2.72 2.02 -0.57 -4.99 118.70 118.23 1x01 s GLU 118 Ca 0.04 -0.46 -0.15 0.00 0.02 0.00 0.00 54.97 54.42 1x01 s GLU 118 Cb -0.12 -0.47 0.16 0.00 0.10 0.00 0.00 34.13 33.79 1x01 s GLU 118 CO 0.01 0.12 0.98 0.20 0.02 0.00 0.00 175.26 176.59 1x01 s GLY 119 N -0.73 -0.20 -0.43 -1.39 0.00 -1.26 0.61 107.32 103.92 1x01 s GLY 119 Ca -0.02 3.03 -0.12 0.00 0.00 0.00 0.00 44.72 47.61 1x01 s GLY 119 CO 0.00 3.22 0.30 1.25 0.00 0.00 0.00 173.10 177.86 1x01 s LYS 120 N 2.44 2.77 7.35 2.90 2.20 -1.07 -4.96 119.74 131.37 1x01 s LYS 120 Ca -0.03 -1.36 0.00 0.00 -0.36 0.00 0.00 55.97 54.23 1x01 s LYS 120 Cb -0.06 -3.89 0.00 0.00 -1.51 0.00 0.00 37.83 32.37 1x01 s LYS 120 CO -0.17 -0.93 0.00 0.41 -0.36 0.00 0.00 175.35 174.29 1x01 n GLY 121 N 5.03 1.87 0.11 5.54 0.00 -1.26 -3.58 105.19 112.90 1x01 n GLY 121 Ca -0.11 -0.47 -0.02 0.00 0.00 0.00 0.00 46.02 45.42 1x01 n GLY 121 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1x01 h ASP 122 N 0.00 0.00 -3.31 1.61 5.19 -1.97 -3.44 116.42 114.49 1x01 h ASP 122 Ca 0.00 0.00 -0.59 0.00 -0.62 0.00 0.00 57.03 55.82 1x01 h ASP 122 Cb 0.00 0.00 -0.08 0.00 0.18 0.00 0.00 39.33 39.43 1x01 h ASP 122 CO 0.00 0.73 0.38 -0.75 -3.12 0.00 0.00 179.24 176.49 1x01 s LYS 123 N -2.95 4.24 -0.12 3.56 2.20 -1.23 -4.45 119.74 120.98 1x01 s LYS 123 Ca 0.02 0.93 0.03 0.00 -0.36 0.00 0.00 55.97 56.59 1x01 s LYS 123 Cb 0.09 -3.60 0.01 0.00 -1.51 0.00 0.00 37.83 32.82 1x01 s LYS 123 CO 0.78 -0.39 -0.23 0.42 -0.36 0.00 0.00 175.35 175.57 1x01 s ILE 124 N 2.39 2.05 -0.23 5.43 -1.09 0.40 -2.60 121.20 127.55 1x01 s ILE 124 Ca 0.36 -0.99 -0.06 0.00 -2.23 0.00 0.00 60.65 57.72 1x01 s ILE 124 Cb -0.16 -1.80 -0.03 0.00 -1.58 0.00 0.00 42.46 38.90 1x01 s ILE 124 CO 0.10 0.55 0.04 -0.69 -1.23 0.00 0.00 174.94 173.72 1x01 s VAL 125 N 0.61 4.15 -0.44 2.92 1.01 0.20 0.25 120.40 129.10 1x01 s VAL 125 Ca -0.12 -0.23 -0.15 0.00 0.00 0.00 0.00 61.98 61.47 1x01 s VAL 125 Cb -0.17 -2.92 0.04 0.00 0.00 0.00 0.00 36.38 33.33 1x01 s VAL 125 CO 0.03 0.37 0.36 -0.22 0.00 0.00 0.00 175.10 175.64 1x01 s LEU 126 N 1.41 5.29 -0.11 3.92 2.96 0.04 -1.51 118.68 130.68 1x01 s LEU 126 Ca 0.05 -1.05 -0.09 0.00 -0.22 0.00 0.00 54.13 52.82 1x01 s LEU 126 Cb -0.15 -2.19 -0.04 0.00 0.50 0.00 0.00 46.19 44.31 1x01 s LEU 126 CO 0.02 -0.55 0.18 -0.83 -1.32 0.00 0.00 176.35 173.86 1x01 s GLY 127 N 2.08 2.19 -0.02 7.98 0.00 0.59 -0.64 107.32 119.50 1x01 s GLY 127 Ca 0.05 -0.58 0.01 0.00 0.00 0.00 0.00 44.72 44.20 1x01 s GLY 127 CO 0.09 -0.21 -0.01 -0.42 0.00 0.00 0.00 173.10 172.55 1x01 s ILE 128 N -0.82 0.18 -0.18 0.90 1.01 0.10 -0.70 121.20 121.69 1x01 s ILE 128 Ca 0.16 0.04 0.01 0.00 0.00 0.00 0.00 60.65 60.85 1x01 s ILE 128 Cb -0.13 -0.25 0.04 0.00 0.01 0.00 0.00 42.46 42.13 1x01 s ILE 128 CO 0.05 0.13 -0.11 -0.83 0.00 0.00 0.00 174.94 174.17 1x01 s GLY 129 N 0.78 1.20 -0.13 6.18 0.00 -0.19 -1.81 107.32 113.36 1x01 s GLY 129 Ca -0.08 -1.09 0.01 0.00 0.00 0.00 0.00 44.72 43.57 1x01 s GLY 129 CO -0.01 0.67 -0.16 -2.27 0.00 0.00 0.00 173.10 171.32 1x01 s LEU 130 N 1.44 1.79 -0.39 0.66 2.96 -0.31 -1.07 118.68 123.76 1x01 s LEU 130 Ca 0.01 -0.48 -0.29 0.00 -0.22 0.00 0.00 54.13 53.14 1x01 s LEU 130 Cb -0.15 -1.19 0.02 0.00 0.50 0.00 0.00 46.19 45.36 1x01 s LEU 130 CO -0.09 0.00 1.19 0.20 -1.32 0.00 0.00 176.35 176.33 1x01 s ASN 131 N 1.12 6.68 0.00 3.68 0.01 -0.39 -0.38 114.94 125.67 1x01 s ASN 131 Ca -0.03 0.81 0.00 0.00 -0.71 0.00 0.00 52.86 52.93 1x01 s ASN 131 Cb -0.14 -2.55 0.00 0.00 0.41 0.00 0.00 41.25 38.97 1x01 s ASN 131 CO -0.05 -1.15 0.00 0.52 -1.51 0.00 0.00 177.10 174.92 1x01 n VAL 132 N 6.50 0.00 0.07 1.60 0.31 -1.25 -1.34 118.33 124.22 1x01 n VAL 132 Ca 0.13 0.11 0.03 0.00 -0.01 0.00 0.00 64.34 64.61 1x01 n VAL 132 Cb 0.48 -1.02 0.06 0.00 -0.91 0.00 0.00 33.84 32.44 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 -1.72 2.03 -4.88 4.52 3.02 0.13 -0.46 115.26 117.90 1x01 n ASN 133 Ca 0.00 -1.64 -0.30 0.00 -0.03 0.00 0.00 54.58 52.61 1x01 n ASN 133 Cb 0.00 -0.07 0.00 0.00 -0.61 0.00 0.00 39.78 39.11 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 -0.76 6.28 0.51 6.41 4.22 -1.22 -4.83 114.94 125.55 1x01 s ASN 134 Ca 0.10 1.31 -0.20 0.00 -2.14 0.00 0.00 52.86 51.93 1x01 s ASN 134 Cb 0.06 -2.42 -0.07 0.00 1.28 0.00 0.00 41.25 40.10 1x01 s ASN 134 CO 0.08 -0.76 1.06 -1.59 -2.04 0.00 0.00 177.10 173.85 1x01 s LYS 135 N -4.93 3.67 0.15 3.55 0.00 -1.26 -4.91 119.74 116.01 1x01 s LYS 135 Ca 0.53 1.39 0.06 0.00 0.00 0.00 0.00 55.97 57.96 1x01 s LYS 135 Cb -0.11 -2.07 -0.04 0.00 0.00 0.00 0.00 37.83 35.61 1x01 s LYS 135 CO 0.49 -0.55 -0.13 0.14 0.00 0.00 0.00 175.35 175.30 1x01 s VAL 136 N -1.99 1.42 0.77 1.79 -7.23 -1.26 -4.85 120.40 109.04 1x01 s VAL 136 Ca 0.68 -1.97 -0.11 0.00 -1.81 0.00 0.00 61.98 58.77 1x01 s VAL 136 Cb -0.18 -1.78 0.06 0.00 0.56 0.00 0.00 36.38 35.04 1x01 s VAL 136 CO 0.23 -0.56 1.08 -2.16 -0.31 0.00 0.00 175.10 173.38 1x01 s PRO 137 N -3.28 2.27 0.24 4.82 0.04 -1.26 -4.91 135.00 132.92 1x01 s PRO 137 Ca 0.15 1.04 -0.31 0.00 0.04 0.00 0.00 61.00 61.93 1x01 s PRO 137 Cb -0.01 -1.91 -0.14 0.00 0.04 0.00 0.00 34.50 32.48 1x01 s PRO 137 CO 0.03 -1.60 1.27 -1.71 0.04 0.00 0.00 177.00 175.04 1x01 n ASN 138 N -3.48 2.18 0.00 6.66 4.05 -1.26 -1.89 115.26 121.53 1x01 n ASN 138 Ca 0.08 1.16 0.00 0.00 0.45 0.00 0.00 54.58 56.27 1x01 n ASN 138 Cb 0.54 -1.36 0.00 0.00 1.23 0.00 0.00 39.78 40.18 1x01 n ASN 138 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 1x01 n GLY 139 N 1.80 3.00 3.88 8.20 0.00 -1.26 -5.03 105.19 115.78 1x01 n GLY 139 Ca 0.11 -0.59 -0.30 0.00 0.00 0.00 0.00 46.02 45.24 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 -1.49 2.07 0.37 4.61 0.00 -0.79 -3.70 121.76 122.83 1x01 s ALA 140 Ca 0.00 -1.07 -0.03 0.00 0.00 0.00 0.00 51.96 50.86 1x01 s ALA 140 Cb 0.00 -2.82 0.01 0.00 0.00 0.00 0.00 23.12 20.31 1x01 s ALA 140 CO 0.00 -2.47 0.54 -0.08 0.00 0.00 0.00 175.76 173.74 1x01 s THR 141 N -3.72 0.00 0.23 0.00 -1.32 0.00 -4.77 115.64 106.07 1x01 s THR 141 Ca 0.72 -1.52 -0.07 0.00 -1.21 0.00 0.00 61.69 59.61 1x01 s THR 141 Cb -0.06 -2.74 -0.02 0.00 -1.51 0.00 0.00 72.50 68.17 1x01 s THR 141 CO 0.53 0.00 0.32 -0.94 -2.21 0.00 0.00 174.62 172.32 1x01 s SER 142 N -3.24 0.07 0.15 8.08 1.04 -1.26 -4.34 113.70 114.19 1x01 s SER 142 Ca 0.29 -1.16 -0.13 0.00 0.48 0.00 0.00 55.95 55.43 1x01 s SER 142 Cb -0.01 0.50 0.02 0.00 0.10 0.00 0.00 66.02 66.62 1x01 s SER 142 CO 0.21 -1.01 1.63 0.24 0.98 0.00 0.00 173.24 175.29 1x01 h MET 143 N 2.41 0.81 -0.32 4.02 2.86 -1.02 -1.40 114.93 122.30 1x01 h MET 143 Ca -0.31 -0.22 0.02 0.00 -2.06 0.00 0.00 59.70 57.14 1x01 h MET 143 Cb 1.25 -0.09 -0.02 0.00 0.06 0.00 0.00 31.60 32.79 1x01 h MET 143 CO 0.43 0.81 0.17 -0.22 1.06 0.00 0.00 176.91 179.16 1x01 h LYS 144 N 0.68 0.34 -0.36 1.72 3.64 -0.94 0.66 116.57 122.31 1x01 h LYS 144 Ca 0.15 -0.02 -0.05 0.00 -1.27 0.00 0.00 60.65 59.46 1x01 h LYS 144 Cb 0.39 -0.08 -0.02 0.00 -0.41 0.00 0.00 32.23 32.12 1x01 h LYS 144 CO 0.01 0.22 0.03 -0.07 -2.27 0.00 0.00 179.45 177.37 1x01 h LEU 145 N 0.35 0.51 -0.07 5.20 3.38 -1.76 0.27 115.31 123.20 1x01 h LEU 145 Ca 0.13 -0.09 -0.23 0.00 0.09 0.00 0.00 57.88 57.78 1x01 h LEU 145 Cb 0.03 -0.13 0.02 0.00 0.09 0.00 0.00 40.66 40.66 1x01 h LEU 145 CO -0.08 0.57 -0.86 -0.33 0.09 0.00 0.00 178.44 177.83 1x01 h GLU 146 N 0.53 0.70 0.00 1.13 4.39 -0.66 -3.28 114.58 117.39 1x01 h GLU 146 Ca 0.12 -0.66 0.00 0.00 0.34 0.00 0.00 59.36 59.16 1x01 h GLU 146 Cb 0.30 0.17 0.00 0.00 -0.10 0.00 0.00 28.75 29.12 1x01 h GLU 146 CO 0.01 1.26 -0.56 1.28 -1.16 0.00 0.00 179.01 179.83 1x01 n LEU 147 N -3.96 0.59 -0.65 1.33 4.77 0.17 -4.94 117.00 114.31 1x01 n LEU 147 Ca -0.09 0.15 -0.08 0.00 -0.03 0.00 0.00 56.01 55.95 1x01 n LEU 147 Cb 0.79 -0.22 -0.03 0.00 -2.33 0.00 0.00 43.42 41.63 1x01 n LEU 147 CO 0.53 0.02 -0.08 0.61 -1.33 0.00 0.00 177.39 177.14 1x01 n GLY 148 N 1.41 0.86 3.49 -0.72 0.00 0.92 -4.99 105.19 106.16 1x01 n GLY 148 Ca 0.04 -0.67 -0.11 0.00 0.00 0.00 0.00 46.02 45.28 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 -2.88 -0.47 0.62 1.61 1.04 -0.97 -5.03 113.70 107.62 1x01 s SER 149 Ca 0.00 0.15 -0.19 0.00 0.48 0.00 0.00 55.95 56.40 1x01 s SER 149 Cb 0.00 0.47 -0.02 0.00 0.10 0.00 0.00 66.02 66.56 1x01 s SER 149 CO 0.00 -0.70 1.27 -1.61 0.98 0.00 0.00 173.24 173.19 1x01 s GLU 150 N -2.79 2.75 -0.11 4.02 2.02 -1.26 -4.26 118.70 119.06 1x01 s GLU 150 Ca 0.01 2.01 0.02 0.00 0.02 0.00 0.00 54.97 57.03 1x01 s GLU 150 Cb -0.01 -1.92 0.01 0.00 0.10 0.00 0.00 34.13 32.32 1x01 s GLU 150 CO -0.06 -1.43 -0.18 0.08 0.02 0.00 0.00 175.26 173.69 1x01 s VAL 151 N -1.44 1.68 -0.40 2.63 1.01 -1.26 -5.01 120.40 117.62 1x01 s VAL 151 Ca 0.80 -0.76 -0.31 0.00 0.00 0.00 0.00 61.98 61.71 1x01 s VAL 151 Cb -0.36 -1.51 -0.10 0.00 0.00 0.00 0.00 36.38 34.42 1x01 s VAL 151 CO 0.38 0.48 2.30 -2.65 0.00 0.00 0.00 175.10 175.61 1x01 n PRO 152 N 4.05 1.22 -0.26 2.72 -0.02 -1.26 -4.82 135.00 136.62 1x01 n PRO 152 Ca -0.20 0.26 0.06 0.00 -2.02 0.00 0.00 63.50 61.61 1x01 n PRO 152 Cb 0.52 -2.82 0.20 0.00 -0.02 0.00 0.00 33.50 31.37 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 14.75 0.28 -0.99 2.45 5.85 -1.97 -1.35 115.31 134.32 1x01 h LEU 153 Ca -0.28 0.11 0.02 0.00 0.84 0.00 0.00 57.88 58.57 1x01 h LEU 153 Cb 1.29 0.09 -0.05 0.00 0.37 0.00 0.00 40.66 42.36 1x01 h LEU 153 CO 1.07 0.09 0.65 0.25 -0.34 0.00 0.00 178.44 180.16 1x01 h LEU 154 N 0.44 1.12 -0.92 2.25 5.85 -1.99 -0.66 115.31 121.39 1x01 h LEU 154 Ca 0.43 -0.02 -0.01 0.00 0.84 0.00 0.00 57.88 59.11 1x01 h LEU 154 Cb 0.66 -0.27 -0.04 0.00 0.37 0.00 0.00 40.66 41.37 1x01 h LEU 154 CO -0.42 0.80 0.52 0.28 -0.34 0.00 0.00 178.44 179.28 1x01 h SER 155 N 1.32 1.14 -0.55 1.25 0.02 -1.64 0.14 113.55 115.23 1x01 h SER 155 Ca 0.37 -0.09 -0.09 0.00 -0.84 0.00 0.00 61.79 61.13 1x01 h SER 155 Cb -0.12 -0.29 -0.02 0.00 0.14 0.00 0.00 62.40 62.12 1x01 h SER 155 CO -0.09 0.90 -0.02 0.58 -1.14 0.00 0.00 176.83 177.06 1x01 h VAL 156 N 1.28 1.27 0.06 2.27 2.07 -1.03 -0.88 116.25 121.29 1x01 h VAL 156 Ca 0.33 -1.15 -0.00 0.00 0.82 0.00 0.00 66.70 66.70 1x01 h VAL 156 Cb 0.00 0.90 0.00 0.00 -1.52 0.00 0.00 31.29 30.68 1x01 h VAL 156 CO -0.05 0.41 -0.03 0.15 0.02 0.00 0.00 177.57 178.06 1x01 h PHE 157 N 0.87 -0.08 -0.43 1.57 3.57 -0.42 -0.56 116.94 121.45 1x01 h PHE 157 Ca 0.15 -0.00 0.04 0.00 3.53 0.00 0.00 57.97 61.69 1x01 h PHE 157 Cb 0.57 0.03 -0.04 0.00 2.79 0.00 0.00 35.95 39.29 1x01 h PHE 157 CO 0.04 -0.01 0.21 0.00 -2.23 0.00 0.00 178.31 176.33 1x01 h ARG 158 N -0.13 0.41 0.08 1.11 3.08 -0.60 -1.21 114.38 117.12 1x01 h ARG 158 Ca -0.01 -0.02 0.00 0.00 0.07 0.00 0.00 59.98 60.02 1x01 h ARG 158 Cb 0.11 -0.09 -0.01 0.00 0.08 0.00 0.00 29.97 30.05 1x01 h ARG 158 CO 0.01 0.27 -0.09 1.03 -1.07 0.00 0.00 179.97 180.13 1x01 h SER 159 N 0.43 -0.24 -0.00 7.04 0.87 -1.01 -2.23 113.55 118.41 1x01 h SER 159 Ca 0.19 0.03 0.00 0.00 -1.23 0.00 0.00 61.79 60.78 1x01 h SER 159 Cb 0.10 0.09 -0.01 0.00 -0.44 0.00 0.00 62.40 62.14 1x01 h SER 159 CO -0.14 -0.14 -0.02 0.25 -0.53 0.00 0.00 176.83 176.25 1x01 h LEU 160 N -0.20 -0.06 -1.00 2.23 5.85 -0.83 -1.77 115.31 119.53 1x01 h LEU 160 Ca 0.01 0.01 0.07 0.00 0.84 0.00 0.00 57.88 58.81 1x01 h LEU 160 Cb 0.20 0.03 -0.07 0.00 0.37 0.00 0.00 40.66 41.19 1x01 h LEU 160 CO -0.03 -0.03 0.64 0.40 -0.34 0.00 0.00 178.44 179.07 1x01 h ILE 161 N -0.04 1.07 -0.35 4.05 1.08 -1.21 0.66 117.51 122.77 1x01 h ILE 161 Ca 0.01 -0.39 -0.02 0.00 -0.39 0.00 0.00 64.86 64.06 1x01 h ILE 161 Cb 0.05 -0.18 -0.02 0.00 -3.07 0.00 0.00 36.82 33.61 1x01 h ILE 161 CO -0.02 0.21 0.13 0.74 -0.69 0.00 0.00 178.15 178.51 1x01 h THR 162 N 1.15 1.19 -0.44 -0.27 2.02 -1.05 -1.43 112.91 114.08 1x01 h THR 162 Ca 0.44 -0.61 -0.05 0.00 0.77 0.00 0.00 66.41 66.96 1x01 h THR 162 Cb 0.20 0.95 -0.02 0.00 -1.74 0.00 0.00 68.15 67.55 1x01 h THR 162 CO -0.18 0.21 0.08 0.78 0.37 0.00 0.00 175.52 176.78 1x01 h ASN 163 N 0.41 0.70 -0.72 4.18 2.35 -0.59 -2.57 115.58 119.35 1x01 h ASN 163 Ca 0.11 -0.25 -0.06 0.00 -0.55 0.00 0.00 56.30 55.56 1x01 h ASN 163 Cb 0.21 -0.18 -0.03 0.00 0.05 0.00 0.00 38.32 38.36 1x01 h ASN 163 CO -0.01 0.77 0.24 -0.07 -1.65 0.00 0.00 177.43 176.71 1x01 h LEU 164 N 0.59 1.04 -0.57 1.61 3.38 -0.79 -1.28 115.31 119.29 1x01 h LEU 164 Ca 0.14 -0.19 -0.05 0.00 0.09 0.00 0.00 57.88 57.87 1x01 h LEU 164 Cb 0.36 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 40.82 1x01 h LEU 164 CO 0.01 0.96 0.17 -0.78 0.09 0.00 0.00 178.44 178.89 1x01 h ASP 165 N 1.07 0.84 -0.16 -0.43 3.58 -1.17 0.68 116.42 120.84 1x01 h ASP 165 Ca 0.24 -0.21 -0.02 0.00 0.42 0.00 0.00 57.03 57.45 1x01 h ASP 165 Cb 0.29 -0.22 -0.01 0.00 1.72 0.00 0.00 39.33 41.11 1x01 h ASP 165 CO -0.01 0.83 0.02 -0.09 -2.88 0.00 0.00 179.24 177.11 1x01 h ARG 166 N 0.81 0.27 -0.67 0.28 2.43 -1.18 -1.72 114.38 114.60 1x01 h ARG 166 Ca 0.18 -0.08 -0.03 0.00 -0.81 0.00 0.00 59.98 59.24 1x01 h ARG 166 Cb 0.29 -0.03 -0.03 0.00 -0.42 0.00 0.00 29.97 29.78 1x01 h ARG 166 CO -0.00 0.46 0.28 -0.07 -1.51 0.00 0.00 179.97 179.13 1x01 h LEU 167 N 0.05 0.89 -0.01 3.80 3.38 -1.12 -2.19 115.31 120.11 1x01 h LEU 167 Ca 0.05 -0.12 -0.00 0.00 0.09 0.00 0.00 57.88 57.90 1x01 h LEU 167 Cb 0.33 -0.23 -0.00 0.00 0.09 0.00 0.00 40.66 40.85 1x01 h LEU 167 CO 0.00 0.78 -0.00 0.22 0.09 0.00 0.00 178.44 179.53 1x01 h TYR 168 N 0.96 0.02 -0.63 1.13 3.20 -0.75 -0.90 116.97 120.00 1x01 h TYR 168 Ca 0.23 -0.01 0.04 0.00 3.14 0.00 0.00 58.73 62.13 1x01 h TYR 168 Cb 0.16 -0.00 -0.05 0.00 1.54 0.00 0.00 36.73 38.38 1x01 h TYR 168 CO 0.01 0.44 0.38 -0.07 -1.64 0.00 0.00 178.16 177.27 1x01 h LEU 169 N -0.40 0.59 -0.99 2.82 4.07 -1.23 -1.18 115.31 118.99 1x01 h LEU 169 Ca 0.00 0.01 -0.09 0.00 0.08 0.00 0.00 57.88 57.89 1x01 h LEU 169 Cb 0.43 -0.11 -0.01 0.00 1.08 0.00 0.00 40.66 42.04 1x01 h LEU 169 CO 0.00 0.40 -0.19 -1.13 -1.08 0.00 0.00 178.44 176.44 1x01 h ASN 170 N 0.72 0.50 -0.46 -0.43 -1.24 -1.39 -2.83 115.58 110.45 1x01 h ASN 170 Ca 0.27 -0.15 -0.04 0.00 0.71 0.00 0.00 56.30 57.08 1x01 h ASN 170 Cb 0.08 -0.13 -0.02 0.00 0.73 0.00 0.00 38.32 38.97 1x01 h ASN 170 CO -0.13 0.71 0.16 0.15 -1.29 0.00 0.00 177.43 177.02 1x01 h PHE 171 N 0.46 0.79 0.00 0.67 3.04 -0.03 1.00 116.94 122.86 1x01 h PHE 171 Ca 0.07 -0.06 -0.05 0.00 3.98 0.00 0.00 57.97 61.92 1x01 h PHE 171 Cb 0.60 -0.24 -0.01 0.00 2.56 0.00 0.00 35.95 38.86 1x01 h PHE 171 CO 0.02 0.65 -0.23 -0.07 -2.02 0.00 0.00 178.31 176.65 1x01 h LEU 172 N 0.75 0.00 0.06 0.59 3.38 -1.02 -2.16 115.31 116.91 1x01 h LEU 172 Ca 0.17 0.00 -0.36 0.00 0.09 0.00 0.00 57.88 57.78 1x01 h LEU 172 Cb 0.23 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 40.94 1x01 h LEU 172 CO -0.01 0.23 -2.05 1.17 0.09 0.00 0.00 178.44 177.87 1x01 n LYS 173 N -4.13 0.68 -3.60 1.13 4.81 -0.78 -4.75 118.16 111.52 1x01 n LYS 173 Ca -0.02 0.29 -0.27 0.00 -0.87 0.00 0.00 58.31 57.44 1x01 n LYS 173 Cb 0.30 -1.64 -0.10 0.00 0.02 0.00 0.00 35.03 33.60 1x01 n LYS 173 CO 0.00 0.00 0.00 0.09 1.17 0.00 0.00 177.40 178.66 1x01 n ASN 174 N -3.69 1.51 0.18 3.14 3.02 0.34 -4.98 115.26 114.77 1x01 n ASN 174 Ca -0.38 -2.87 0.18 0.00 -0.03 0.00 0.00 54.58 51.48 1x01 n ASN 174 Cb 0.95 -0.66 0.77 0.00 -0.61 0.00 0.00 39.78 40.23 1x01 n ASN 174 CO 0.00 0.00 0.00 -0.65 -2.62 0.00 0.00 177.26 173.99 1x01 h PRO 175 N 5.23 0.00 0.00 3.52 0.11 -1.58 -2.12 132.00 137.16 1x01 h PRO 175 Ca 0.19 0.00 -0.17 0.00 0.11 0.00 0.00 66.00 66.14 1x01 h PRO 175 Cb 0.81 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 31.90 1x01 h PRO 175 CO 0.57 0.00 -1.01 0.52 -0.21 0.00 0.00 178.00 177.87 1x01 h MET 176 N 0.00 0.00 -0.98 1.05 2.86 -1.94 -3.37 114.93 112.56 1x01 h MET 176 Ca 0.12 0.00 0.23 0.00 -2.06 0.00 0.00 59.70 57.99 1x01 h MET 176 Cb 0.91 0.00 -0.08 0.00 0.06 0.00 0.00 31.60 32.49 1x01 h MET 176 CO -0.00 0.54 0.64 -0.44 1.06 0.00 0.00 176.91 178.70 1x01 h ASP 177 N 0.00 0.46 -0.23 1.22 5.19 -1.75 -1.31 116.42 119.99 1x01 h ASP 177 Ca -0.08 0.06 -0.03 0.00 -0.62 0.00 0.00 57.03 56.36 1x01 h ASP 177 Cb 1.59 -0.02 -0.02 0.00 0.18 0.00 0.00 39.33 41.07 1x01 h ASP 177 CO 0.07 0.14 0.07 -0.29 -3.12 0.00 0.00 179.24 176.11 1x01 h ILE 178 N 0.43 1.15 -0.90 0.35 6.09 -1.76 -2.81 117.51 120.07 1x01 h ILE 178 Ca 0.54 -0.55 0.06 0.00 -1.37 0.00 0.00 64.86 63.53 1x01 h ILE 178 Cb 1.31 0.84 -0.06 0.00 0.47 0.00 0.00 36.82 39.38 1x01 h ILE 178 CO -0.24 0.20 0.57 -0.07 -3.07 0.00 0.00 178.15 175.53 1x01 h LEU 179 N 0.45 0.90 -0.53 2.19 3.38 -1.49 -1.07 115.31 119.14 1x01 h LEU 179 Ca 0.11 0.01 -0.02 0.00 0.09 0.00 0.00 57.88 58.07 1x01 h LEU 179 Cb 0.19 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 40.74 1x01 h LEU 179 CO -0.00 0.58 0.25 0.78 0.09 0.00 0.00 178.44 180.14 1x01 h ASN 180 N 1.04 0.70 -0.86 -0.43 4.21 -1.62 -0.64 115.58 117.98 1x01 h ASN 180 Ca 0.39 -0.13 -0.03 0.00 1.21 0.00 0.00 56.30 57.73 1x01 h ASN 180 Cb 0.14 -0.18 -0.04 0.00 -1.12 0.00 0.00 38.32 37.13 1x01 h ASN 180 CO -0.16 0.64 0.42 -0.07 -1.29 0.00 0.00 177.43 176.96 1x01 h LEU 181 N 0.71 1.11 -0.00 1.61 3.38 -1.38 -1.77 115.31 118.97 1x01 h LEU 181 Ca 0.18 -0.13 -0.00 0.00 0.09 0.00 0.00 57.88 58.02 1x01 h LEU 181 Cb 0.13 -0.29 -0.00 0.00 0.09 0.00 0.00 40.66 40.59 1x01 h LEU 181 CO -0.02 0.93 0.00 0.58 0.09 0.00 0.00 178.44 180.02 1x01 h VAL 182 N 1.22 1.16 -0.61 1.22 2.07 -0.94 -2.83 116.25 117.54 1x01 h VAL 182 Ca 0.30 -0.48 0.12 0.00 0.82 0.00 0.00 66.70 67.46 1x01 h VAL 182 Cb 0.10 1.49 -0.09 0.00 -1.52 0.00 0.00 31.29 31.26 1x01 h VAL 182 CO -0.04 0.12 0.07 -0.09 0.02 0.00 0.00 177.57 177.65 1x01 h ARG 183 N -0.20 0.18 0.00 1.57 2.43 -0.85 0.26 114.38 117.77 1x01 h ARG 183 Ca 0.00 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.16 1x01 h ARG 183 Cb 0.20 -0.04 0.00 0.00 -0.42 0.00 0.00 29.97 29.71 1x01 h ARG 183 CO -0.00 0.12 0.00 -0.25 -1.51 0.00 0.00 179.97 178.33 1x01 n ASP 184 N -5.20 0.41 -0.12 -3.80 8.00 -0.69 -3.26 116.55 111.88 1x01 n ASP 184 Ca 0.09 0.59 0.05 0.00 0.71 0.00 0.00 54.79 56.23 1x01 n ASP 184 Cb 0.34 -0.68 0.07 0.00 -0.02 0.00 0.00 41.12 40.83 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 -1.94 1.66 -4.75 -2.24 3.02 -0.16 -5.05 115.26 105.81 1x01 n ASN 185 Ca 0.03 -2.46 -0.34 0.00 -0.03 0.00 0.00 54.58 51.78 1x01 n ASN 185 Cb 0.24 -0.25 -0.08 0.00 -0.61 0.00 0.00 39.78 39.08 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 -1.68 3.03 -0.30 3.52 1.75 -0.10 0.03 119.30 125.54 1x01 s MET 186 Ca 0.16 -0.44 -0.29 0.00 -1.25 0.00 0.00 55.69 53.87 1x01 s MET 186 Cb 0.14 -2.84 -0.01 0.00 2.84 0.00 0.00 34.83 34.96 1x01 s MET 186 CO 0.01 0.67 1.55 0.42 -0.65 0.00 0.00 175.02 177.03 1x01 s ILE 187 N -1.07 3.78 0.22 10.11 1.01 -0.07 -4.84 121.20 130.35 1x01 s ILE 187 Ca 0.19 0.85 0.00 0.00 0.00 0.00 0.00 60.65 61.69 1x01 s ILE 187 Cb -0.12 -3.89 -0.05 0.00 0.01 0.00 0.00 42.46 38.41 1x01 s ILE 187 CO 0.09 -0.46 0.09 -0.76 0.00 0.00 0.00 174.94 173.90 1x01 s LEU 188 N 5.43 1.57 0.00 2.97 1.43 -1.26 -4.85 118.68 123.97 1x01 s LEU 188 Ca 0.68 -1.34 0.00 0.00 -1.03 0.00 0.00 54.13 52.44 1x01 s LEU 188 Cb -0.20 0.14 0.00 0.00 0.03 0.00 0.00 46.19 46.15 1x01 s LEU 188 CO 0.30 -0.74 0.00 0.61 0.23 0.00 0.00 176.35 176.75 1x01 n GLY 189 N -0.35 0.59 3.59 -3.19 0.00 -0.29 -5.03 105.19 100.51 1x01 n GLY 189 Ca -0.01 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.74 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 -2.21 1.83 0.14 1.61 -7.23 -1.26 -4.92 120.40 108.36 1x01 s VAL 190 Ca 0.00 -2.00 -0.26 0.00 -1.81 0.00 0.00 61.98 57.91 1x01 s VAL 190 Cb 0.00 -2.94 -0.07 0.00 0.56 0.00 0.00 36.38 33.93 1x01 s VAL 190 CO 0.00 0.00 0.79 -0.60 -0.31 0.00 0.00 175.10 174.98 1x01 s ARG 191 N -3.75 4.57 0.08 4.82 3.52 -1.26 -2.05 118.95 124.88 1x01 s ARG 191 Ca 0.34 1.16 -0.00 0.00 -0.13 0.00 0.00 55.73 57.10 1x01 s ARG 191 Cb 0.10 -3.29 -0.04 0.00 -1.56 0.00 0.00 34.95 30.16 1x01 s ARG 191 CO 0.17 0.49 -0.02 0.14 -0.81 0.00 0.00 175.30 175.27 1x01 s VAL 192 N -0.86 0.33 -0.10 7.11 -7.23 -0.41 -2.31 120.40 116.92 1x01 s VAL 192 Ca 0.37 -1.86 0.03 0.00 -1.81 0.00 0.00 61.98 58.71 1x01 s VAL 192 Cb -0.23 -1.67 -0.01 0.00 0.56 0.00 0.00 36.38 35.04 1x01 s VAL 192 CO 0.26 -0.86 -0.21 -0.75 -0.31 0.00 0.00 175.10 173.23 1x01 s LYS 193 N -3.92 3.07 -0.27 4.82 2.20 0.21 -2.09 119.74 123.75 1x01 s LYS 193 Ca 0.12 -0.83 -0.12 0.00 -0.36 0.00 0.00 55.97 54.78 1x01 s LYS 193 Cb 0.07 -2.37 -0.05 0.00 -1.51 0.00 0.00 37.83 33.98 1x01 s LYS 193 CO -0.06 0.22 0.23 0.42 -0.36 0.00 0.00 175.35 175.80 1x01 s ILE 194 N 0.26 5.28 -0.56 5.43 -1.09 0.79 -0.92 121.20 130.39 1x01 s ILE 194 Ca -0.15 0.28 -0.07 0.00 -2.23 0.00 0.00 60.65 58.48 1x01 s ILE 194 Cb -0.17 -3.57 0.15 0.00 -1.58 0.00 0.00 42.46 37.29 1x01 s ILE 194 CO 0.07 0.24 0.42 -0.76 -1.23 0.00 0.00 174.94 173.69 1x01 s LEU 195 N 1.72 5.68 0.00 2.97 1.43 0.26 -2.39 118.68 128.35 1x01 s LEU 195 Ca 0.09 -2.31 0.00 0.00 -1.03 0.00 0.00 54.13 50.88 1x01 s LEU 195 Cb -0.16 -1.98 0.00 0.00 0.03 0.00 0.00 46.19 44.09 1x01 s LEU 195 CO 0.10 -0.57 0.00 0.61 0.23 0.00 0.00 176.35 176.72 1x01 n GLY 196 N 4.33 3.35 3.56 -3.19 0.00 -1.26 -0.39 105.19 111.58 1x01 n GLY 196 Ca 0.00 -0.33 -0.42 0.00 0.00 0.00 0.00 46.02 45.27 1x01 n GLY 196 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1x01 s ASP 197 N 1.00 6.72 0.00 1.61 -1.08 -1.26 -4.68 116.67 118.97 1x01 s ASP 197 Ca 0.00 -2.09 0.00 0.00 -0.52 0.00 0.00 52.55 49.94 1x01 s ASP 197 Cb 0.00 -2.55 0.00 0.00 -1.46 0.00 0.00 42.92 38.91 1x01 s ASP 197 CO 0.00 -1.26 0.00 0.61 0.52 0.00 0.00 175.17 175.04 1x01 n GLY 198 N 5.87 0.92 0.00 2.66 0.00 -1.26 -5.04 105.19 108.35 1x01 n GLY 198 Ca 0.40 -1.52 0.00 0.00 0.00 0.00 0.00 46.02 44.90 1x01 n GLY 198 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1x01 n SER 199 N 0.00 0.00 -3.51 1.61 3.41 -1.26 -4.56 113.62 109.31 1x01 n SER 199 Ca 0.00 0.00 -0.14 0.00 -0.26 0.00 0.00 58.87 58.47 1x01 n SER 199 Cb 0.00 0.00 -0.04 0.00 -0.26 0.00 0.00 64.21 63.91 1x01 n SER 199 CO 0.00 0.00 0.00 0.72 -0.16 0.00 0.00 175.04 175.60 1x01 s PHE 200 N -2.00 -0.52 0.31 7.33 -0.12 -1.00 -4.97 117.98 117.00 1x01 s PHE 200 Ca 0.00 0.60 0.10 0.00 -0.05 0.00 0.00 56.93 57.58 1x01 s PHE 200 Cb 0.00 0.43 -0.05 0.00 -0.63 0.00 0.00 43.02 42.76 1x01 s PHE 200 CO 0.00 -0.70 -0.08 -1.21 -0.05 0.00 0.00 175.22 173.18 1x01 s GLU 201 N -2.53 1.93 0.00 1.99 2.02 -1.26 -0.15 118.70 120.70 1x01 s GLU 201 Ca -0.05 -1.74 0.00 0.00 0.02 0.00 0.00 54.97 53.20 1x01 s GLU 201 Cb -0.01 -1.87 0.00 0.00 0.10 0.00 0.00 34.13 32.36 1x01 s GLU 201 CO -0.02 0.24 0.00 0.41 0.02 0.00 0.00 175.26 175.91 1x01 n GLY 202 N -0.80 -1.92 3.68 -1.39 0.00 -0.89 -4.39 105.19 99.48 1x01 n GLY 202 Ca -0.05 -1.16 -0.40 0.00 0.00 0.00 0.00 46.02 44.42 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 -2.35 5.04 -0.80 -0.61 -1.09 -0.18 -1.29 121.20 119.92 1x01 s ILE 203 Ca 0.00 1.24 -0.26 0.00 -2.23 0.00 0.00 60.65 59.40 1x01 s ILE 203 Cb 0.00 -3.96 0.02 0.00 -1.58 0.00 0.00 42.46 36.94 1x01 s ILE 203 CO 0.00 0.17 1.46 0.00 -1.23 0.00 0.00 174.94 175.34 1x01 s ALA 204 N 1.51 2.57 0.02 9.38 0.00 -0.87 -1.02 121.76 133.35 1x01 s ALA 204 Ca 0.31 -1.50 -0.19 0.00 0.00 0.00 0.00 51.96 50.58 1x01 s ALA 204 Cb -0.16 -4.36 -0.22 0.00 0.00 0.00 0.00 23.12 18.38 1x01 s ALA 204 CO 0.12 -3.58 1.14 0.93 0.00 0.00 0.00 175.76 174.37 1x01 h GLU 205 N 10.81 0.47 0.00 0.00 4.39 -0.54 -0.76 114.58 128.95 1x01 h GLU 205 Ca -0.13 -0.47 0.00 0.00 0.34 0.00 0.00 59.36 59.10 1x01 h GLU 205 Cb 1.05 0.13 0.00 0.00 -0.10 0.00 0.00 28.75 29.83 1x01 h GLU 205 CO 1.30 1.12 0.00 -3.47 -1.16 0.00 0.00 179.01 176.80 1x01 n ASP 206 N -4.18 0.00 -4.47 1.42 2.03 -1.22 -4.63 116.55 105.50 1x01 n ASP 206 Ca -0.10 0.00 -0.32 0.00 0.52 0.00 0.00 54.79 54.89 1x01 n ASP 206 Cb 0.68 0.00 -0.13 0.00 -0.72 0.00 0.00 41.12 40.95 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 -2.48 2.93 0.20 5.18 -4.36 -1.26 0.68 121.20 122.10 1x01 s ILE 207 Ca 0.00 -0.93 -0.02 0.00 -0.26 0.00 0.00 60.65 59.44 1x01 s ILE 207 Cb 0.00 -2.18 0.04 0.00 1.25 0.00 0.00 42.46 41.57 1x01 s ILE 207 CO 0.00 0.48 0.28 -0.90 0.24 0.00 0.00 174.94 175.04 1x01 n ASP 208 N 1.97 0.15 0.00 4.36 5.68 0.28 -4.84 116.55 124.15 1x01 n ASP 208 Ca -0.16 -1.18 0.04 0.00 -0.50 0.00 0.00 54.79 52.98 1x01 n ASP 208 Cb 0.52 -0.20 0.23 0.00 -1.14 0.00 0.00 41.12 40.53 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 -3.10 0.00 -0.20 -1.12 5.75 -1.26 -1.05 116.55 115.56 1x01 n ASP 209 Ca 0.04 -0.12 0.02 0.00 -0.01 0.00 0.00 54.79 54.72 1x01 n ASP 209 Cb 0.14 -0.09 0.04 0.00 -1.03 0.00 0.00 41.12 40.18 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 -1.09 0.12 -0.94 2.11 3.01 -1.26 -4.97 117.46 114.44 1x01 n PHE 210 Ca 0.05 -0.38 0.00 0.00 1.01 0.00 0.00 57.45 58.14 1x01 n PHE 210 Cb 0.04 -0.03 0.00 0.00 -0.01 0.00 0.00 39.48 39.48 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 -0.07 0.79 3.76 1.37 0.00 -0.22 -4.92 105.19 105.91 1x01 n GLY 211 Ca 0.03 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.65 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 -0.06 4.50 -0.02 1.61 0.52 -1.26 -4.70 118.95 119.53 1x01 s ARG 212 Ca 0.00 1.89 -0.28 0.00 -0.52 0.00 0.00 55.73 56.82 1x01 s ARG 212 Cb 0.00 -3.09 -0.03 0.00 0.52 0.00 0.00 34.95 32.35 1x01 s ARG 212 CO 0.00 0.05 0.92 -1.17 0.02 0.00 0.00 175.30 175.12 1x01 s LEU 213 N -1.68 4.35 -0.30 2.53 2.96 -0.40 -0.56 118.68 125.59 1x01 s LEU 213 Ca 0.47 1.55 -0.14 0.00 -0.22 0.00 0.00 54.13 55.79 1x01 s LEU 213 Cb -0.33 -3.46 -0.03 0.00 0.50 0.00 0.00 46.19 42.87 1x01 s LEU 213 CO 0.43 -0.24 0.33 -0.63 -1.32 0.00 0.00 176.35 174.92 1x01 s ILE 214 N 1.02 5.20 -0.13 6.68 -1.09 0.22 -0.17 121.20 132.92 1x01 s ILE 214 Ca 0.49 0.28 0.01 0.00 -2.23 0.00 0.00 60.65 59.19 1x01 s ILE 214 Cb -0.20 -3.71 -0.01 0.00 -1.58 0.00 0.00 42.46 36.96 1x01 s ILE 214 CO 0.25 0.08 -0.15 -0.63 -1.23 0.00 0.00 174.94 173.26 1x01 s ILE 215 N 1.98 2.85 -0.36 2.92 -1.09 -0.50 0.24 121.20 127.25 1x01 s ILE 215 Ca 0.12 -0.73 -0.10 0.00 -2.23 0.00 0.00 60.65 57.71 1x01 s ILE 215 Cb -0.16 -2.18 0.02 0.00 -1.58 0.00 0.00 42.46 38.56 1x01 s ILE 215 CO 0.11 0.53 0.18 -0.60 -1.23 0.00 0.00 174.94 173.93 1x01 s ARG 216 N 0.39 2.88 0.63 2.79 3.52 -0.19 -1.13 118.95 127.84 1x01 s ARG 216 Ca -0.12 -1.03 -0.13 0.00 -0.13 0.00 0.00 55.73 54.31 1x01 s ARG 216 Cb -0.16 -3.65 -0.02 0.00 -1.56 0.00 0.00 34.95 29.55 1x01 s ARG 216 CO 0.06 -0.64 1.05 -0.51 -0.81 0.00 0.00 175.30 174.44 1x01 s LEU 217 N 1.54 3.35 0.57 -0.88 1.02 0.11 -1.01 118.68 123.38 1x01 s LEU 217 Ca 0.02 1.68 0.28 0.00 0.02 0.00 0.00 54.13 56.13 1x01 s LEU 217 Cb -0.19 -4.51 1.50 0.00 0.02 0.00 0.00 46.19 43.01 1x01 s LEU 217 CO 0.06 -1.18 1.96 0.44 0.02 0.00 0.00 176.35 177.65 1x01 h ASP 218 N -0.03 0.00 0.15 2.29 3.32 -1.87 0.33 116.42 120.61 1x01 h ASP 218 Ca -0.45 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.60 1x01 h ASP 218 Cb 1.21 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.76 1x01 h ASP 218 CO 0.58 0.00 0.00 -1.54 -1.72 0.00 0.00 179.24 176.56 1x01 n SER 219 N -3.91 0.00 0.00 6.45 3.41 -1.26 -4.83 113.62 113.48 1x01 n SER 219 Ca 0.08 -0.61 0.00 0.00 -0.26 0.00 0.00 58.87 58.08 1x01 n SER 219 Cb 0.60 -0.09 0.00 0.00 -0.26 0.00 0.00 64.21 64.46 1x01 n SER 219 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1x01 n GLY 220 N 0.76 2.87 3.74 5.00 0.00 0.11 -5.03 105.19 112.65 1x01 n GLY 220 Ca 0.18 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.79 1x01 n GLY 220 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1x01 n GLU 221 N -2.00 2.33 -4.47 1.61 2.13 -1.24 -4.66 120.64 114.35 1x01 n GLU 221 Ca 0.00 0.82 -0.34 0.00 0.66 0.00 0.00 57.16 58.31 1x01 n GLU 221 Cb 0.00 -2.52 -0.13 0.00 0.27 0.00 0.00 31.44 29.05 1x01 n GLU 221 CO 0.00 0.00 0.00 0.08 -0.41 0.00 0.00 177.13 176.80 1x01 s VAL 222 N -1.14 3.43 0.04 6.31 1.01 -1.26 0.06 120.40 128.85 1x01 s VAL 222 Ca 0.56 -0.52 0.08 0.00 0.00 0.00 0.00 61.98 62.11 1x01 s VAL 222 Cb -0.50 -2.49 -0.03 0.00 0.00 0.00 0.00 36.38 33.36 1x01 s VAL 222 CO 0.61 0.49 -0.24 -0.54 0.00 0.00 0.00 175.10 175.43 1x01 s LYS 223 N 0.56 1.68 -0.28 2.72 1.02 -0.28 -4.99 119.74 120.16 1x01 s LYS 223 Ca -0.05 -1.02 -0.06 0.00 0.02 0.00 0.00 55.97 54.85 1x01 s LYS 223 Cb -0.15 -1.81 0.01 0.00 -0.52 0.00 0.00 37.83 35.36 1x01 s LYS 223 CO 0.03 0.47 0.06 0.15 -0.92 0.00 0.00 175.35 175.14 1x01 s LYS 224 N -1.14 3.10 -0.29 1.68 1.02 -1.26 -1.40 119.74 121.45 1x01 s LYS 224 Ca 0.10 -0.85 -0.20 0.00 0.02 0.00 0.00 55.97 55.05 1x01 s LYS 224 Cb -0.09 -3.30 -0.01 0.00 -0.52 0.00 0.00 37.83 33.90 1x01 s LYS 224 CO 0.02 -0.42 0.59 0.08 -0.92 0.00 0.00 175.35 174.70 1x01 s VAL 225 N 1.48 4.98 -0.00 3.17 1.01 0.76 -4.88 120.40 126.92 1x01 s VAL 225 Ca 0.03 0.88 -0.20 0.00 0.00 0.00 0.00 61.98 62.68 1x01 s VAL 225 Cb -0.17 -3.94 -0.05 0.00 0.00 0.00 0.00 36.38 32.21 1x01 s VAL 225 CO 0.01 -0.06 0.57 -0.63 0.00 0.00 0.00 175.10 175.00 1x01 s ILE 226 N 2.50 4.91 0.06 2.22 1.01 -1.26 -1.27 121.20 129.37 1x01 s ILE 226 Ca 0.24 1.20 -0.30 0.00 0.00 0.00 0.00 60.65 61.78 1x01 s ILE 226 Cb -0.15 -3.91 -0.05 0.00 0.01 0.00 0.00 42.46 38.36 1x01 s ILE 226 CO 0.11 0.44 1.04 -0.47 0.00 0.00 0.00 174.94 176.06 1x01 s TYR 227 N -0.30 3.63 0.00 3.97 5.04 -1.26 -4.82 117.35 123.61 1x01 s TYR 227 Ca 0.30 1.62 0.00 0.00 -2.44 0.00 0.00 57.07 56.55 1x01 s TYR 227 Cb -0.18 -3.19 0.00 0.00 0.35 0.00 0.00 41.96 38.94 1x01 s TYR 227 CO 0.17 -0.33 0.00 0.41 -1.34 0.00 0.00 175.55 174.46 1x01 n GLY 228 N 2.71 0.06 3.48 8.97 0.00 -1.26 -5.02 105.19 114.13 1x01 n GLY 228 Ca 0.05 0.47 -0.44 0.00 0.00 0.00 0.00 46.02 46.11 1x01 n GLY 228 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1x01 s ASP 229 N 2.00 6.86 -0.18 1.61 2.15 -1.26 -4.88 116.67 122.96 1x01 s ASP 229 Ca 0.00 -2.51 -0.16 0.00 0.43 0.00 0.00 52.55 50.32 1x01 s ASP 229 Cb 0.00 -2.43 0.05 0.00 -0.30 0.00 0.00 42.92 40.24 1x01 s ASP 229 CO 0.00 -0.95 0.48 0.68 -0.17 0.00 0.00 175.17 175.21 1x01 s VAL 230 N 2.45 -0.00 -0.05 1.11 -7.23 -1.26 -4.74 120.40 110.68 1x01 s VAL 230 Ca 0.41 0.01 0.06 0.00 -1.81 0.00 0.00 61.98 60.64 1x01 s VAL 230 Cb -0.03 -0.67 -0.02 0.00 0.56 0.00 0.00 36.38 36.22 1x01 s VAL 230 CO -0.03 0.00 -0.21 -0.44 -0.31 0.00 0.00 175.10 174.11 1x01 s SER 231 N 0.42 3.45 -0.17 4.85 0.01 0.48 -4.94 113.70 117.80 1x01 s SER 231 Ca -0.01 -0.38 -0.04 0.00 1.31 0.00 0.00 55.95 56.83 1x01 s SER 231 Cb -0.04 -0.72 -0.03 0.00 0.21 0.00 0.00 66.02 65.44 1x01 s SER 231 CO -0.01 0.30 -0.02 -0.22 0.41 0.00 0.00 173.24 173.70 1x01 s LEU 232 N -0.48 3.33 -0.11 2.44 0.20 -1.26 0.90 118.68 123.70 1x01 s LEU 232 Ca 0.06 -0.11 0.03 0.00 0.69 0.00 0.00 54.13 54.80 1x01 s LEU 232 Cb -0.11 -1.81 0.01 0.00 -0.43 0.00 0.00 46.19 43.84 1x01 s LEU 232 CO 0.01 0.16 -0.20 -0.13 -0.29 0.00 0.00 176.35 175.90 1x01 s ARG 233 N 0.45 2.65 0.25 1.98 1.81 -0.10 -4.95 118.95 121.05 1x01 s ARG 233 Ca -0.02 -0.73 -0.29 0.00 -1.72 0.00 0.00 55.73 52.96 1x01 s ARG 233 Cb -0.14 -2.11 -0.09 0.00 -0.45 0.00 0.00 34.95 32.16 1x01 s ARG 233 CO 0.02 0.05 0.95 -0.06 -0.68 0.00 0.00 175.30 175.59 1x01 s PHE 234 N 0.66 3.92 -2.55 -0.53 0.08 -1.26 0.67 117.98 118.96 1x01 s PHE 234 Ca -0.12 1.88 0.28 0.00 0.12 0.00 0.00 56.93 59.09 1x01 s PHE 234 Cb -0.16 -3.00 0.96 0.00 -0.57 0.00 0.00 43.02 40.25 1x01 s PHE 234 CO 0.03 0.35 1.69 1.28 -0.10 0.00 0.00 175.22 178.47