#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2hfe s ILE 2 N 0.00 3.19 -0.13 0.53 1.01 -1.26 -4.97 121.20 119.56 2hfe s ILE 2 Ca 0.00 0.22 -0.17 0.00 0.00 0.00 0.00 60.65 60.70 2hfe s ILE 2 Cb 0.00 -3.17 -0.04 0.00 0.01 0.00 0.00 42.46 39.26 2hfe s ILE 2 CO 0.00 -0.05 0.43 -0.22 0.00 0.00 0.00 174.94 175.10 2hfe s LEU 3 N 5.21 4.26 -0.25 2.97 2.96 -1.26 -4.78 118.68 127.80 2hfe s LEU 3 Ca 0.86 0.73 -0.03 0.00 -0.22 0.00 0.00 54.13 55.47 2hfe s LEU 3 Cb -0.37 -2.61 0.02 0.00 0.50 0.00 0.00 46.19 43.73 2hfe s LEU 3 CO 0.37 0.02 -0.04 -0.76 -1.32 0.00 0.00 176.35 174.62 2hfe s LEU 4 N 0.61 3.22 -0.26 -0.68 1.02 -1.26 -0.76 118.68 120.58 2hfe s LEU 4 Ca 0.23 -0.76 -0.08 0.00 0.02 0.00 0.00 54.13 53.54 2hfe s LEU 4 Cb -0.15 -1.71 -0.03 0.00 0.02 0.00 0.00 46.19 44.33 2hfe s LEU 4 CO 0.09 -0.12 0.08 -0.89 0.02 0.00 0.00 176.35 175.53 2hfe s THR 5 N 1.38 4.37 -0.28 5.49 2.01 -0.03 -3.94 115.64 124.64 2hfe s THR 5 Ca 0.02 -0.18 -0.07 0.00 0.31 0.00 0.00 61.69 61.77 2hfe s THR 5 Cb -0.16 -3.06 -0.00 0.00 0.01 0.00 0.00 72.50 69.29 2hfe s THR 5 CO -0.03 0.31 0.07 -1.10 -0.69 0.00 0.00 174.62 173.18 2hfe s GLN 6 N 1.62 3.24 -0.11 4.92 -0.21 -1.26 -1.26 119.66 126.59 2hfe s GLN 6 Ca 0.06 -0.75 -0.09 0.00 0.02 0.00 0.00 55.36 54.60 2hfe s GLN 6 Cb -0.15 -3.33 0.03 0.00 1.00 0.00 0.00 33.01 30.57 2hfe s GLN 6 CO 0.04 -0.36 0.29 0.45 -2.12 0.00 0.00 175.29 173.59 2hfe s SER 7 N 1.52 -0.31 0.80 5.90 0.15 -1.23 -4.18 113.70 116.35 2hfe s SER 7 Ca 0.04 0.60 -0.11 0.00 0.70 0.00 0.00 55.95 57.18 2hfe s SER 7 Cb -0.16 0.57 0.07 0.00 -1.71 0.00 0.00 66.02 64.79 2hfe s SER 7 CO 0.02 -0.12 1.09 -2.16 1.20 0.00 0.00 173.24 173.27 2hfe s PRO 8 N 0.49 2.04 0.30 5.44 0.04 -1.26 -4.42 135.00 137.63 2hfe s PRO 8 Ca -0.03 0.84 0.26 0.00 0.04 0.00 0.00 61.00 62.12 2hfe s PRO 8 Cb -0.04 -1.90 0.84 0.00 0.04 0.00 0.00 34.50 33.44 2hfe s PRO 8 CO -0.03 -1.70 1.76 0.00 0.04 0.00 0.00 177.00 177.07 2hfe h ALA 9 N -1.16 1.00 -3.49 8.56 0.00 -1.82 -3.44 119.26 118.91 2hfe h ALA 9 Ca -0.46 0.00 -0.29 0.00 0.00 0.00 0.00 54.91 54.16 2hfe h ALA 9 Cb 1.25 0.00 -0.33 0.00 0.00 0.00 0.00 17.79 18.71 2hfe h ALA 9 CO 0.56 0.00 -0.71 0.42 0.00 0.00 0.00 179.25 179.52 2hfe s ILE 10 N -3.24 -0.06 -0.09 0.00 1.01 -1.26 -0.26 121.20 117.31 2hfe s ILE 10 Ca 0.07 0.21 0.03 0.00 0.00 0.00 0.00 60.65 60.96 2hfe s ILE 10 Cb 0.10 -0.10 0.01 0.00 0.01 0.00 0.00 42.46 42.48 2hfe s ILE 10 CO 0.55 0.08 -0.18 -0.22 0.00 0.00 0.00 174.94 175.18 2hfe s LEU 11 N 1.05 1.85 -0.16 2.97 2.96 -0.15 -4.94 118.68 122.25 2hfe s LEU 11 Ca -0.09 -0.43 0.00 0.00 -0.22 0.00 0.00 54.13 53.40 2hfe s LEU 11 Cb -0.12 -1.11 0.00 0.00 0.50 0.00 0.00 46.19 45.46 2hfe s LEU 11 CO -0.03 0.08 -0.16 -0.44 -1.32 0.00 0.00 176.35 174.48 2hfe s SER 12 N 0.58 3.56 0.20 3.68 0.01 -1.26 0.17 113.70 120.65 2hfe s SER 12 Ca -0.15 -0.51 0.02 0.00 1.31 0.00 0.00 55.95 56.62 2hfe s SER 12 Cb -0.17 -1.55 -0.05 0.00 0.21 0.00 0.00 66.02 64.47 2hfe s SER 12 CO 0.05 0.06 0.01 0.54 0.41 0.00 0.00 173.24 174.31 2hfe s VAL 13 N 0.96 0.80 0.02 3.43 0.11 -0.48 -4.95 120.40 120.30 2hfe s VAL 13 Ca -0.03 -2.00 -0.14 0.00 -2.93 0.00 0.00 61.98 56.88 2hfe s VAL 13 Cb -0.15 -2.27 -0.06 0.00 -1.53 0.00 0.00 36.38 32.38 2hfe s VAL 13 CO -0.03 -0.36 0.42 -0.44 -3.33 0.00 0.00 175.10 171.36 2hfe s SER 14 N -3.24 6.79 0.15 3.54 0.01 -1.26 -0.39 113.70 119.29 2hfe s SER 14 Ca 0.27 0.95 -0.32 0.00 1.31 0.00 0.00 55.95 58.16 2hfe s SER 14 Cb 0.06 -2.24 -0.17 0.00 0.21 0.00 0.00 66.02 63.87 2hfe s SER 14 CO 0.07 0.29 0.79 -2.65 0.41 0.00 0.00 173.24 172.15 2hfe n PRO 15 N 1.63 0.23 0.00 12.44 -0.02 -1.26 -0.96 135.00 147.06 2hfe n PRO 15 Ca -0.13 0.08 0.00 0.00 -2.02 0.00 0.00 63.50 61.44 2hfe n PRO 15 Cb 0.52 -1.31 0.00 0.00 -0.02 0.00 0.00 33.50 32.69 2hfe n PRO 15 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2hfe n GLY 16 N 1.81 2.95 3.65 -1.23 0.00 0.19 -4.92 105.19 107.65 2hfe n GLY 16 Ca 0.18 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.91 2hfe n GLY 16 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2hfe s GLU 17 N -0.04 -0.20 -0.23 1.61 2.12 -0.14 -3.45 118.70 118.37 2hfe s GLU 17 Ca 0.00 0.30 -0.16 0.00 0.36 0.00 0.00 54.97 55.46 2hfe s GLU 17 Cb 0.00 -1.68 -0.04 0.00 0.26 0.00 0.00 34.13 32.67 2hfe s GLU 17 CO 0.00 -3.11 0.42 0.50 -0.54 0.00 0.00 175.26 172.54 2hfe s ARG 18 N -5.11 4.12 0.10 4.30 6.06 -1.26 -0.89 118.95 126.26 2hfe s ARG 18 Ca 0.67 0.20 0.09 0.00 -2.50 0.00 0.00 55.73 54.20 2hfe s ARG 18 Cb -0.16 -3.59 -0.04 0.00 0.06 0.00 0.00 34.95 31.23 2hfe s ARG 18 CO 0.57 -0.16 -0.20 0.54 -2.50 0.00 0.00 175.30 173.55 2hfe s VAL 19 N 1.70 2.69 -0.13 7.11 0.11 -0.64 -4.98 120.40 126.27 2hfe s VAL 19 Ca 0.19 -1.48 -0.02 0.00 -2.93 0.00 0.00 61.98 57.74 2hfe s VAL 19 Cb -0.15 -2.20 0.04 0.00 -1.53 0.00 0.00 36.38 32.54 2hfe s VAL 19 CO 0.09 0.16 0.02 -0.44 -3.33 0.00 0.00 175.10 171.60 2hfe s SER 20 N -1.94 2.14 -0.01 3.54 0.01 -1.26 -0.85 113.70 115.32 2hfe s SER 20 Ca 0.16 -0.40 -0.14 0.00 1.31 0.00 0.00 55.95 56.88 2hfe s SER 20 Cb -0.10 -0.48 -0.06 0.00 0.21 0.00 0.00 66.02 65.59 2hfe s SER 20 CO 0.08 -0.25 0.38 -0.36 0.41 0.00 0.00 173.24 173.51 2hfe s PHE 21 N 1.94 3.72 -0.03 2.43 0.40 0.07 -4.93 117.98 121.59 2hfe s PHE 21 Ca 0.03 0.95 0.02 0.00 -0.60 0.00 0.00 56.93 57.33 2hfe s PHE 21 Cb -0.14 -2.26 -0.03 0.00 0.51 0.00 0.00 43.02 41.09 2hfe s PHE 21 CO -0.07 0.65 -0.05 0.45 0.70 0.00 0.00 175.22 176.90 2hfe s SER 22 N -1.06 4.76 -0.06 1.36 0.15 -1.26 -1.47 113.70 116.13 2hfe s SER 22 Ca 0.23 -0.06 -0.01 0.00 0.70 0.00 0.00 55.95 56.81 2hfe s SER 22 Cb -0.16 -1.18 0.03 0.00 -1.71 0.00 0.00 66.02 62.99 2hfe s SER 22 CO 0.13 0.31 -0.01 0.00 1.20 0.00 0.00 173.24 174.87 2hfe s ARG 24 N 1.60 3.14 0.17 0.00 6.06 -0.39 -0.20 118.95 129.33 2hfe s ARG 24 Ca -0.01 -0.78 -0.12 0.00 -2.50 0.00 0.00 55.73 52.32 2hfe s ARG 24 Cb -0.13 -2.60 -0.07 0.00 0.06 0.00 0.00 34.95 32.21 2hfe s ARG 24 CO -0.03 -0.05 0.53 0.00 -2.50 0.00 0.00 175.30 173.24 2hfe s ALA 25 N 0.96 3.59 -0.84 6.12 0.00 0.20 -0.85 121.76 130.93 2hfe s ALA 25 Ca -0.03 -0.22 0.18 0.00 0.00 0.00 0.00 51.96 51.89 2hfe s ALA 25 Cb -0.15 -2.45 0.75 0.00 0.00 0.00 0.00 23.12 21.27 2hfe s ALA 25 CO -0.03 0.49 1.56 -1.13 0.00 0.00 0.00 175.76 176.65 2hfe n SER 26 N 0.45 0.21 -3.68 0.00 3.41 0.06 -4.74 113.62 109.33 2hfe n SER 26 Ca -0.03 0.55 -0.09 0.00 -0.26 0.00 0.00 58.87 59.03 2hfe n SER 26 Cb 0.52 -0.59 -0.02 0.00 -0.26 0.00 0.00 64.21 63.85 2hfe n SER 26 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2hfe s GLN 27 N -3.09 1.50 0.08 4.33 -2.07 -1.26 -4.99 119.66 114.16 2hfe s GLN 27 Ca 0.07 -0.78 -0.31 0.00 -1.82 0.00 0.00 55.36 52.52 2hfe s GLN 27 Cb 0.10 0.58 -0.08 0.00 -1.09 0.00 0.00 33.01 32.51 2hfe s GLN 27 CO 0.32 -0.67 1.61 0.45 -1.32 0.00 0.00 175.29 175.68 2hfe s SER 28 N -2.85 6.63 -0.12 12.60 0.15 -1.26 -4.69 113.70 124.15 2hfe s SER 28 Ca 0.07 2.47 0.16 0.00 0.70 0.00 0.00 55.95 59.35 2hfe s SER 28 Cb -0.03 -2.57 0.37 0.00 -1.71 0.00 0.00 66.02 62.08 2hfe s SER 28 CO -0.02 -0.86 1.18 2.30 1.20 0.00 0.00 173.24 177.04 2hfe n ILE 29 N 4.56 1.31 0.00 6.45 -5.35 -0.17 -4.99 119.36 121.18 2hfe n ILE 29 Ca 0.15 -2.17 0.00 0.00 -0.27 0.00 0.00 62.75 60.46 2hfe n ILE 29 Cb 0.40 0.20 0.00 0.00 -1.74 0.00 0.00 39.64 38.50 2hfe n ILE 29 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2hfe n GLY 30 N -0.58 3.08 0.25 3.28 0.00 -1.25 -1.22 105.19 108.76 2hfe n GLY 30 Ca 0.13 0.28 0.08 0.00 0.00 0.00 0.00 46.02 46.51 2hfe n GLY 30 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2hfe n THR 31 N 0.00 1.73 -0.89 2.61 -2.24 -1.26 -1.04 114.28 113.19 2hfe n THR 31 Ca 0.00 -2.22 -0.10 0.00 -2.27 0.00 0.00 64.05 59.45 2hfe n THR 31 Cb 0.00 -0.14 -0.15 0.00 -2.10 0.00 0.00 70.33 67.94 2hfe n THR 31 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 2hfe n ASP 32 N -1.20 4.76 -4.34 3.42 10.43 -0.35 -2.89 116.55 126.39 2hfe n ASP 32 Ca 0.15 -2.39 -0.30 0.00 2.57 0.00 0.00 54.79 54.82 2hfe n ASP 32 Cb 0.67 -1.28 -0.15 0.00 1.84 0.00 0.00 41.12 42.20 2hfe n ASP 32 CO 0.00 0.00 0.00 -0.51 -1.07 0.00 0.00 177.20 175.62 2hfe s ILE 33 N 1.15 2.12 0.07 0.53 1.10 -1.26 -1.68 121.20 123.22 2hfe s ILE 33 Ca 0.59 -1.32 0.05 0.00 -0.51 0.00 0.00 60.65 59.46 2hfe s ILE 33 Cb 0.28 -1.80 -0.03 0.00 0.15 0.00 0.00 42.46 41.06 2hfe s ILE 33 CO 0.00 0.42 -0.15 -1.00 -2.11 0.00 0.00 174.94 172.10 2hfe s HIS 34 N -0.76 1.26 -0.04 3.50 3.76 0.34 0.20 115.29 123.56 2hfe s HIS 34 Ca 0.11 -0.44 0.05 0.00 -0.15 0.00 0.00 55.06 54.64 2hfe s HIS 34 Cb -0.10 -0.71 -0.02 0.00 1.11 0.00 0.00 32.58 32.85 2hfe s HIS 34 CO 0.01 0.06 -0.19 -1.58 -0.85 0.00 0.00 174.74 172.20 2hfe s TRP 35 N -1.19 2.57 0.10 1.40 0.52 -0.05 -1.33 118.94 120.97 2hfe s TRP 35 Ca -0.01 -0.29 0.07 0.00 0.02 0.00 0.00 56.10 55.90 2hfe s TRP 35 Cb -0.10 -1.59 -0.03 0.00 -1.15 0.00 0.00 33.47 30.60 2hfe s TRP 35 CO 0.02 0.08 -0.19 0.71 0.02 0.00 0.00 176.95 177.60 2hfe s TYR 36 N -0.64 1.66 -0.07 -1.98 1.51 -0.10 0.84 117.35 118.57 2hfe s TYR 36 Ca 0.10 -0.44 0.05 0.00 -1.01 0.00 0.00 57.07 55.77 2hfe s TYR 36 Cb -0.11 -0.90 -0.01 0.00 -0.11 0.00 0.00 41.96 40.84 2hfe s TYR 36 CO 0.00 0.19 -0.25 -1.14 -1.11 0.00 0.00 175.55 173.24 2hfe s GLN 37 N -2.03 2.72 -0.20 -0.62 0.74 0.10 -1.53 119.66 118.86 2hfe s GLN 37 Ca 0.06 -0.90 -0.03 0.00 0.05 0.00 0.00 55.36 54.55 2hfe s GLN 37 Cb -0.09 -2.21 0.06 0.00 1.10 0.00 0.00 33.01 31.87 2hfe s GLN 37 CO 0.04 0.31 0.04 -1.14 -0.55 0.00 0.00 175.29 173.99 2hfe s GLN 38 N 0.01 0.66 0.70 1.67 0.74 -0.52 0.11 119.66 123.02 2hfe s GLN 38 Ca -0.09 -0.43 -0.11 0.00 0.05 0.00 0.00 55.36 54.78 2hfe s GLN 38 Cb -0.15 -2.12 0.02 0.00 1.10 0.00 0.00 33.01 31.86 2hfe s GLN 38 CO 0.06 -0.65 1.08 1.03 -0.55 0.00 0.00 175.29 176.26 2hfe s ARG 39 N 1.85 2.80 0.08 1.67 0.52 -1.26 -1.58 118.95 123.04 2hfe s ARG 39 Ca -0.01 0.37 -0.36 0.00 -0.52 0.00 0.00 55.73 55.21 2hfe s ARG 39 Cb -0.17 -2.05 -0.16 0.00 0.52 0.00 0.00 34.95 33.09 2hfe s ARG 39 CO -0.08 -1.03 1.44 2.41 0.02 0.00 0.00 175.30 178.06 2hfe n THR 40 N -2.97 0.03 -0.80 0.02 -1.04 -1.26 -0.78 114.28 107.49 2hfe n THR 40 Ca 0.07 -0.01 0.00 0.00 -2.04 0.00 0.00 64.05 62.07 2hfe n THR 40 Cb 0.57 -1.06 0.00 0.00 -1.82 0.00 0.00 70.33 68.03 2hfe n THR 40 CO 0.00 0.00 0.00 0.59 -0.64 0.00 0.00 175.07 175.02 2hfe n ASN 41 N 3.02 -2.39 -5.00 8.00 3.02 -1.26 -4.98 115.26 115.67 2hfe n ASN 41 Ca 0.19 0.00 -0.19 0.00 -0.03 0.00 0.00 54.58 54.55 2hfe n ASN 41 Cb 0.21 -2.27 0.04 0.00 -0.61 0.00 0.00 39.78 37.15 2hfe n ASN 41 CO 0.00 0.00 0.00 -0.83 -2.62 0.00 0.00 177.26 173.81 2hfe s GLY 42 N -2.00 1.83 0.21 7.41 0.00 0.04 -5.11 107.32 109.69 2hfe s GLY 42 Ca 0.00 -1.89 0.03 0.00 0.00 0.00 0.00 44.72 42.86 2hfe s GLY 42 CO 0.00 -1.54 0.35 -1.35 0.00 0.00 0.00 173.10 170.55 2hfe s SER 43 N -4.53 6.33 0.63 1.64 1.04 -1.26 -4.71 113.70 112.84 2hfe s SER 43 Ca 0.59 0.17 -0.18 0.00 0.48 0.00 0.00 55.95 57.01 2hfe s SER 43 Cb -0.08 -1.91 -0.03 0.00 0.10 0.00 0.00 66.02 64.11 2hfe s SER 43 CO 0.37 -0.03 1.17 -2.65 0.98 0.00 0.00 173.24 173.07 2hfe n PRO 44 N -1.01 1.05 -3.89 4.02 -0.02 -1.26 -4.63 135.00 129.25 2hfe n PRO 44 Ca -0.07 0.41 -0.26 0.00 -2.02 0.00 0.00 63.50 61.55 2hfe n PRO 44 Cb 0.55 -2.39 -0.17 0.00 -0.02 0.00 0.00 33.50 31.47 2hfe n PRO 44 CO 0.00 0.00 0.00 0.50 1.98 0.00 0.00 175.50 177.98 2hfe s ARG 45 N -3.11 1.41 0.11 -0.52 3.52 0.30 -4.90 118.95 115.76 2hfe s ARG 45 Ca 0.80 -0.23 -0.33 0.00 -0.13 0.00 0.00 55.73 55.84 2hfe s ARG 45 Cb -0.40 -1.54 -0.12 0.00 -1.56 0.00 0.00 34.95 31.33 2hfe s ARG 45 CO 0.43 -0.28 1.75 -0.11 -0.81 0.00 0.00 175.30 176.27 2hfe n LEU 46 N 4.96 3.63 -0.06 -0.88 7.94 -1.26 -0.72 117.00 130.61 2hfe n LEU 46 Ca -0.12 1.03 -0.08 0.00 -1.11 0.00 0.00 56.01 55.73 2hfe n LEU 46 Cb 0.50 -1.48 -0.07 0.00 0.53 0.00 0.00 43.42 42.90 2hfe n LEU 46 CO 0.16 -0.01 -0.92 0.18 -1.11 0.00 0.00 177.39 175.69 2hfe n LEU 47 N 4.86 1.94 -3.72 -1.96 4.77 0.25 -4.91 117.00 118.23 2hfe n LEU 47 Ca 0.18 -0.05 -0.12 0.00 -0.03 0.00 0.00 56.01 55.99 2hfe n LEU 47 Cb 0.33 -0.22 -0.10 0.00 -2.33 0.00 0.00 43.42 41.09 2hfe n LEU 47 CO 0.66 0.57 0.07 -0.63 -1.33 0.00 0.00 177.39 176.73 2hfe s ILE 48 N -2.27 -0.01 0.17 -0.08 -1.09 -1.18 -4.15 121.20 112.58 2hfe s ILE 48 Ca -0.14 0.04 0.11 0.00 -2.23 0.00 0.00 60.65 58.42 2hfe s ILE 48 Cb 0.04 -0.58 -0.04 0.00 -1.58 0.00 0.00 42.46 40.30 2hfe s ILE 48 CO 0.36 0.01 -0.22 -1.59 -1.23 0.00 0.00 174.94 172.28 2hfe s LYS 49 N 0.65 1.60 -1.39 2.79 -2.85 -0.64 -0.88 119.74 119.02 2hfe s LYS 49 Ca -0.04 -1.40 -0.01 0.00 -1.00 0.00 0.00 55.97 53.52 2hfe s LYS 49 Cb -0.05 -1.94 0.01 0.00 -2.06 0.00 0.00 37.83 33.79 2hfe s LYS 49 CO -0.04 0.43 0.53 0.66 0.10 0.00 0.00 175.35 177.03 2hfe n TYR 50 N 0.46 -1.75 0.00 1.78 4.01 -0.75 -1.07 117.16 119.84 2hfe n TYR 50 Ca -0.14 0.78 0.00 0.00 -0.16 0.00 0.00 57.90 58.38 2hfe n TYR 50 Cb 0.55 -3.93 0.00 0.00 -0.31 0.00 0.00 39.34 35.65 2hfe n TYR 50 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 2hfe n ALA 51 N -4.37 0.00 -1.01 -0.72 0.00 0.13 -3.96 120.51 110.58 2hfe n ALA 51 Ca -0.28 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.16 2hfe n ALA 51 Cb 0.67 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.12 2hfe n ALA 51 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 2hfe n SER 52 N 0.48 0.00 -4.69 0.00 3.41 -1.18 -2.36 113.62 109.28 2hfe n SER 52 Ca 0.00 -1.00 -0.40 0.00 -0.26 0.00 0.00 58.87 57.21 2hfe n SER 52 Cb 0.00 0.00 -0.05 0.00 -0.26 0.00 0.00 64.21 63.90 2hfe n SER 52 CO 0.00 0.00 0.00 -1.61 -0.16 0.00 0.00 175.04 173.27 2hfe s GLU 53 N 0.00 4.36 0.75 4.33 2.02 -0.24 -4.57 118.70 125.35 2hfe s GLU 53 Ca 0.00 0.92 -0.12 0.00 0.02 0.00 0.00 54.97 55.79 2hfe s GLU 53 Cb 0.00 -3.51 0.04 0.00 0.10 0.00 0.00 34.13 30.76 2hfe s GLU 53 CO 0.00 -0.13 1.09 -1.54 0.02 0.00 0.00 175.26 174.70 2hfe s SER 54 N 1.00 4.66 0.12 -0.19 1.04 -1.26 -1.62 113.70 117.45 2hfe s SER 54 Ca 0.37 1.86 0.11 0.00 0.48 0.00 0.00 55.95 58.77 2hfe s SER 54 Cb -0.17 -2.53 -0.04 0.00 0.10 0.00 0.00 66.02 63.38 2hfe s SER 54 CO 0.15 -1.93 -0.27 -0.63 0.98 0.00 0.00 173.24 171.54 2hfe s ILE 55 N -2.78 2.28 0.28 -1.02 -1.09 -1.26 -4.82 121.20 112.79 2hfe s ILE 55 Ca 0.62 -1.72 -0.29 0.00 -2.23 0.00 0.00 60.65 57.03 2hfe s ILE 55 Cb -0.18 -2.00 -0.10 0.00 -1.58 0.00 0.00 42.46 38.60 2hfe s ILE 55 CO 0.53 0.11 1.25 -0.44 -1.23 0.00 0.00 174.94 175.16 2hfe s SER 56 N -2.01 6.95 0.00 3.58 0.01 -1.26 -3.08 113.70 117.89 2hfe s SER 56 Ca 0.14 2.48 0.00 0.00 1.31 0.00 0.00 55.95 59.88 2hfe s SER 56 Cb -0.10 -2.63 0.00 0.00 0.21 0.00 0.00 66.02 63.50 2hfe s SER 56 CO 0.06 -0.42 0.00 0.61 0.41 0.00 0.00 173.24 173.90 2hfe n GLY 57 N 1.39 0.94 3.75 3.44 0.00 -1.26 -5.04 105.19 108.40 2hfe n GLY 57 Ca 0.02 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.68 2hfe n GLY 57 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2hfe s ILE 58 N -2.45 5.38 0.42 -0.61 -1.09 -1.18 -5.05 121.20 116.62 2hfe s ILE 58 Ca 0.00 0.32 -0.23 0.00 -2.23 0.00 0.00 60.65 58.50 2hfe s ILE 58 Cb 0.00 -3.52 -0.11 0.00 -1.58 0.00 0.00 42.46 37.25 2hfe s ILE 58 CO 0.00 0.44 0.78 -2.65 -1.23 0.00 0.00 174.94 172.29 2hfe n PRO 59 N 3.35 0.93 0.29 2.79 -0.02 -1.26 -4.84 135.00 136.23 2hfe n PRO 59 Ca -0.15 0.34 0.19 0.00 -2.02 0.00 0.00 63.50 61.85 2hfe n PRO 59 Cb 0.52 -1.77 0.88 0.00 -0.02 0.00 0.00 33.50 33.12 2hfe n PRO 59 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 2hfe h SER 60 N 1.15 0.00 -0.28 2.55 4.64 -1.97 -2.75 113.55 116.89 2hfe h SER 60 Ca -0.42 0.00 0.08 0.00 -0.47 0.00 0.00 61.79 60.98 2hfe h SER 60 Cb 1.37 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.45 2hfe h SER 60 CO 0.54 0.00 0.22 -0.09 -0.87 0.00 0.00 176.83 176.63 2hfe h ARG 61 N 0.00 0.00 -6.27 4.77 2.43 -1.88 -3.42 114.38 110.01 2hfe h ARG 61 Ca 0.00 0.00 -0.55 0.00 -0.81 0.00 0.00 59.98 58.62 2hfe h ARG 61 Cb 0.27 0.00 -0.03 0.00 -0.42 0.00 0.00 29.97 29.79 2hfe h ARG 61 CO 0.00 0.00 0.27 -0.06 -1.51 0.00 0.00 179.97 178.67 2hfe s PHE 62 N -4.96 3.62 0.07 2.20 0.08 -1.04 -1.23 117.98 116.73 2hfe s PHE 62 Ca -0.05 1.53 -0.08 0.00 0.12 0.00 0.00 56.93 58.45 2hfe s PHE 62 Cb 0.18 -3.01 -0.00 0.00 -0.57 0.00 0.00 43.02 39.62 2hfe s PHE 62 CO 0.67 0.02 0.16 -1.54 -0.10 0.00 0.00 175.22 174.43 2hfe s SER 63 N 0.94 0.13 0.10 1.36 1.04 -0.28 -4.99 113.70 111.99 2hfe s SER 63 Ca 0.47 -0.58 0.03 0.00 0.48 0.00 0.00 55.95 56.34 2hfe s SER 63 Cb -0.20 0.30 -0.04 0.00 0.10 0.00 0.00 66.02 66.19 2hfe s SER 63 CO 0.24 -0.64 -0.09 -0.83 0.98 0.00 0.00 173.24 172.90 2hfe s GLY 64 N -2.56 0.82 0.23 7.32 0.00 -1.26 0.10 107.32 111.97 2hfe s GLY 64 Ca 0.01 -1.26 -0.19 0.00 0.00 0.00 0.00 44.72 43.28 2hfe s GLY 64 CO -0.08 -1.35 0.59 -1.35 0.00 0.00 0.00 173.10 170.91 2hfe s SER 65 N -2.71 -0.27 0.00 1.64 1.04 0.03 -4.34 113.70 109.09 2hfe s SER 65 Ca 0.08 -0.54 0.00 0.00 0.48 0.00 0.00 55.95 55.98 2hfe s SER 65 Cb 0.00 0.63 0.00 0.00 0.10 0.00 0.00 66.02 66.76 2hfe s SER 65 CO -0.02 -1.16 0.00 0.61 0.98 0.00 0.00 173.24 173.65 2hfe n GLY 66 N -0.39 2.99 3.52 7.32 0.00 -1.26 -1.24 105.19 116.12 2hfe n GLY 66 Ca -0.07 -2.04 -0.14 0.00 0.00 0.00 0.00 46.02 43.76 2hfe n GLY 66 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2hfe s SER 67 N 0.00 -0.54 0.34 1.61 1.04 -1.21 -4.86 113.70 110.08 2hfe s SER 67 Ca 0.00 0.45 0.00 0.00 0.48 0.00 0.00 55.95 56.88 2hfe s SER 67 Cb 0.00 0.47 0.00 0.00 0.10 0.00 0.00 66.02 66.59 2hfe s SER 67 CO 0.00 -0.60 0.00 0.61 0.98 0.00 0.00 173.24 174.23 2hfe n GLY 68 N 0.55 1.34 0.00 7.32 0.00 -0.20 -3.98 105.19 110.21 2hfe n GLY 68 Ca -0.15 -0.58 0.02 0.00 0.00 0.00 0.00 46.02 45.31 2hfe n GLY 68 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2hfe n THR 69 N 0.00 0.00 -4.00 2.61 -2.24 -1.26 -0.99 114.28 108.40 2hfe n THR 69 Ca 0.00 -0.09 -0.35 0.00 -2.27 0.00 0.00 64.05 61.34 2hfe n THR 69 Cb 0.00 0.45 -0.13 0.00 -2.10 0.00 0.00 70.33 68.54 2hfe n THR 69 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 2hfe s ASP 70 N -2.34 4.56 0.05 3.42 1.01 -1.26 0.59 116.67 122.70 2hfe s ASP 70 Ca -0.01 -0.30 0.05 0.00 0.71 0.00 0.00 52.55 53.00 2hfe s ASP 70 Cb 0.02 -1.78 -0.02 0.00 1.01 0.00 0.00 42.92 42.15 2hfe s ASP 70 CO 0.14 0.02 -0.14 -0.36 0.21 0.00 0.00 175.17 175.03 2hfe s PHE 71 N 1.27 1.25 -0.01 4.23 0.40 0.72 -3.34 117.98 122.50 2hfe s PHE 71 Ca 0.03 -0.37 0.03 0.00 -0.60 0.00 0.00 56.93 56.02 2hfe s PHE 71 Cb -0.14 -0.73 -0.01 0.00 0.51 0.00 0.00 43.02 42.65 2hfe s PHE 71 CO -0.00 0.04 -0.11 0.99 0.70 0.00 0.00 175.22 176.84 2hfe s THR 72 N -0.93 0.89 -0.19 0.64 2.01 -0.37 -0.51 115.64 117.17 2hfe s THR 72 Ca 0.01 -0.46 -0.04 0.00 0.31 0.00 0.00 61.69 61.51 2hfe s THR 72 Cb -0.08 -0.75 -0.02 0.00 0.01 0.00 0.00 72.50 71.66 2hfe s THR 72 CO 0.01 0.26 -0.05 -0.22 -0.69 0.00 0.00 174.62 173.94 2hfe s LEU 73 N -0.15 3.00 0.10 4.42 2.96 -0.54 -0.79 118.68 127.68 2hfe s LEU 73 Ca 0.02 -0.30 0.08 0.00 -0.22 0.00 0.00 54.13 53.71 2hfe s LEU 73 Cb -0.06 -1.74 -0.04 0.00 0.50 0.00 0.00 46.19 44.85 2hfe s LEU 73 CO -0.00 0.05 -0.13 -0.44 -1.32 0.00 0.00 176.35 174.51 2hfe s SER 74 N 1.05 4.18 -0.16 3.68 0.01 0.28 -0.75 113.70 121.99 2hfe s SER 74 Ca 0.01 -0.45 0.00 0.00 1.31 0.00 0.00 55.95 56.83 2hfe s SER 74 Cb -0.15 -0.72 0.03 0.00 0.21 0.00 0.00 66.02 65.39 2hfe s SER 74 CO 0.00 0.19 -0.11 -0.63 0.41 0.00 0.00 173.24 173.10 2hfe s ILE 75 N -1.16 1.48 -0.42 1.44 1.01 -0.03 -1.13 121.20 122.38 2hfe s ILE 75 Ca 0.20 -0.72 -0.26 0.00 0.00 0.00 0.00 60.65 59.86 2hfe s ILE 75 Cb -0.11 -1.49 0.02 0.00 0.01 0.00 0.00 42.46 40.90 2hfe s ILE 75 CO 0.12 0.31 0.94 0.21 0.00 0.00 0.00 174.94 176.52 2hfe s ASN 76 N 1.50 6.59 -0.35 3.58 2.47 -0.36 -1.62 114.94 126.74 2hfe s ASN 76 Ca 0.02 0.35 -0.10 0.00 0.42 0.00 0.00 52.86 53.55 2hfe s ASN 76 Cb -0.14 -2.46 0.01 0.00 -1.45 0.00 0.00 41.25 37.21 2hfe s ASN 76 CO -0.09 -0.98 0.45 -0.24 -3.72 0.00 0.00 177.10 172.52 2hfe n SER 77 N 7.05 -6.37 -4.76 -4.21 2.88 -0.61 -4.85 113.62 102.74 2hfe n SER 77 Ca 0.07 0.33 -0.37 0.00 -1.33 0.00 0.00 58.87 57.58 2hfe n SER 77 Cb 0.48 -4.23 0.01 0.00 -0.75 0.00 0.00 64.21 59.72 2hfe n SER 77 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 2hfe s VAL 78 N -2.30 2.74 0.29 2.46 0.11 -0.07 -4.64 120.40 118.99 2hfe s VAL 78 Ca 0.16 0.52 0.02 0.00 -2.93 0.00 0.00 61.98 59.76 2hfe s VAL 78 Cb -0.04 -3.25 -0.04 0.00 -1.53 0.00 0.00 36.38 31.51 2hfe s VAL 78 CO 0.56 -0.04 0.12 -1.83 -3.33 0.00 0.00 175.10 170.59 2hfe s GLU 79 N -2.94 1.55 0.35 1.54 -1.05 -1.26 -0.63 118.70 116.25 2hfe s GLU 79 Ca 0.70 -1.87 0.08 0.00 -0.15 0.00 0.00 54.97 53.72 2hfe s GLU 79 Cb -0.32 -0.28 0.77 0.00 -0.44 0.00 0.00 34.13 33.87 2hfe s GLU 79 CO 0.37 -0.36 1.89 0.77 0.95 0.00 0.00 175.26 178.88 2hfe h SER 80 N 2.25 0.68 0.45 0.83 0.02 -1.89 -0.22 113.55 115.67 2hfe h SER 80 Ca -0.36 0.03 0.00 0.00 -0.84 0.00 0.00 61.79 60.62 2hfe h SER 80 Cb 1.25 -0.11 0.00 0.00 0.14 0.00 0.00 62.40 63.68 2hfe h SER 80 CO 0.58 0.37 0.00 -1.84 -1.14 0.00 0.00 176.83 174.80 2hfe n GLU 81 N -4.54 0.18 0.00 3.45 0.28 -1.03 -1.79 120.64 117.18 2hfe n GLU 81 Ca 0.16 0.51 0.15 0.00 -0.16 0.00 0.00 57.16 57.82 2hfe n GLU 81 Cb 0.41 -1.91 0.75 0.00 1.43 0.00 0.00 31.44 32.12 2hfe n GLU 81 CO 0.00 0.00 0.00 -0.25 -0.16 0.00 0.00 177.13 176.72 2hfe n ASP 82 N -2.25 0.13 -4.65 -1.84 8.00 -0.09 -4.77 116.55 111.08 2hfe n ASP 82 Ca 0.01 -0.40 -0.43 0.00 0.71 0.00 0.00 54.79 54.68 2hfe n ASP 82 Cb 0.16 -0.18 -0.03 0.00 -0.02 0.00 0.00 41.12 41.05 2hfe n ASP 82 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 2hfe s ILE 83 N -2.45 3.63 -0.01 0.53 1.01 -0.74 -4.81 121.20 118.36 2hfe s ILE 83 Ca 0.32 0.75 -0.11 0.00 0.00 0.00 0.00 60.65 61.60 2hfe s ILE 83 Cb 0.20 -3.55 0.04 0.00 0.01 0.00 0.00 42.46 39.16 2hfe s ILE 83 CO 0.45 -0.14 0.50 0.00 0.00 0.00 0.00 174.94 175.75 2hfe n ALA 84 N 7.71 -1.41 -2.80 9.38 0.00 -1.25 -4.75 120.51 127.38 2hfe n ALA 84 Ca 0.18 -0.31 -0.31 0.00 0.00 0.00 0.00 53.44 53.00 2hfe n ALA 84 Cb 0.44 0.05 -0.06 0.00 0.00 0.00 0.00 19.45 19.88 2hfe n ALA 84 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.50 176.70 2hfe s ASN 85 N -2.10 5.70 -0.06 0.00 0.02 -0.62 -0.71 114.94 117.18 2hfe s ASN 85 Ca 0.12 0.07 0.02 0.00 -1.02 0.00 0.00 52.86 52.05 2hfe s ASN 85 Cb -0.00 -1.60 0.01 0.00 0.02 0.00 0.00 41.25 39.69 2hfe s ASN 85 CO -0.00 0.20 -0.10 -0.31 0.02 0.00 0.00 177.10 176.90 2hfe s TYR 86 N -1.36 1.29 0.07 2.20 1.51 0.82 -1.44 117.35 120.44 2hfe s TYR 86 Ca 0.29 -0.45 0.09 0.00 -1.01 0.00 0.00 57.07 55.98 2hfe s TYR 86 Cb -0.12 -0.97 -0.03 0.00 -0.11 0.00 0.00 41.96 40.73 2hfe s TYR 86 CO 0.21 -0.25 -0.24 0.71 -1.11 0.00 0.00 175.55 174.87 2hfe s TYR 87 N 0.69 2.08 0.24 2.71 1.51 -0.58 -1.24 117.35 122.77 2hfe s TYR 87 Ca -0.14 -0.39 0.08 0.00 -1.01 0.00 0.00 57.07 55.61 2hfe s TYR 87 Cb -0.15 -1.21 -0.04 0.00 -0.11 0.00 0.00 41.96 40.45 2hfe s TYR 87 CO 0.03 0.16 0.12 0.00 -1.11 0.00 0.00 175.55 174.75 2hfe s GLN 89 N -3.67 0.37 -0.03 0.00 -0.44 -0.44 -1.06 119.66 114.39 2hfe s GLN 89 Ca 0.32 0.54 0.02 0.00 -2.50 0.00 0.00 55.36 53.74 2hfe s GLN 89 Cb -0.08 0.10 -0.03 0.00 -1.64 0.00 0.00 33.01 31.37 2hfe s GLN 89 CO 0.23 -0.09 -0.08 1.14 0.50 0.00 0.00 175.29 177.00 2hfe s GLN 90 N 0.58 2.62 -0.10 1.67 1.03 -0.49 -0.50 119.66 124.46 2hfe s GLN 90 Ca -0.03 -0.65 0.15 0.00 0.04 0.00 0.00 55.36 54.86 2hfe s GLN 90 Cb -0.05 -2.52 0.23 0.00 0.03 0.00 0.00 33.01 30.70 2hfe s GLN 90 CO -0.03 0.63 1.11 -1.13 -2.54 0.00 0.00 175.29 173.33 2hfe n SER 91 N 1.89 2.13 -0.02 12.60 3.41 -0.68 -3.09 113.62 129.86 2hfe n SER 91 Ca -0.17 -2.84 -0.15 0.00 -0.26 0.00 0.00 58.87 55.45 2hfe n SER 91 Cb 0.53 -0.35 -0.04 0.00 -0.26 0.00 0.00 64.21 64.09 2hfe n SER 91 CO 0.00 0.00 0.00 -1.13 -0.16 0.00 0.00 175.04 173.75 2hfe h ASN 92 N 0.00 0.86 -4.47 4.04 -1.24 -1.87 -3.46 115.58 109.44 2hfe h ASN 92 Ca 0.00 -0.53 -0.34 0.00 0.71 0.00 0.00 56.30 56.14 2hfe h ASN 92 Cb 0.95 -0.25 -0.23 0.00 0.73 0.00 0.00 38.32 39.52 2hfe h ASN 92 CO 0.00 1.31 -0.76 -0.13 -1.29 0.00 0.00 177.43 176.56 2hfe s ARG 93 N -3.86 0.64 0.12 6.67 0.52 -1.26 -5.13 118.95 116.64 2hfe s ARG 93 Ca -0.09 -0.68 -0.30 0.00 -0.52 0.00 0.00 55.73 54.14 2hfe s ARG 93 Cb 0.10 -0.53 -0.06 0.00 0.52 0.00 0.00 34.95 34.97 2hfe s ARG 93 CO 0.89 0.12 1.08 -0.46 0.02 0.00 0.00 175.30 176.94 2hfe s TRP 94 N -1.02 3.62 0.46 -0.53 -0.00 -1.26 -3.71 118.94 116.51 2hfe s TRP 94 Ca -0.04 1.59 -0.02 0.00 -0.00 0.00 0.00 56.10 57.63 2hfe s TRP 94 Cb -0.08 -3.24 -0.01 0.00 -0.00 0.00 0.00 33.47 30.14 2hfe s TRP 94 CO 0.01 -0.49 0.71 -1.25 -0.00 0.00 0.00 176.95 175.93 2hfe s PRO 95 N 0.17 3.20 0.58 5.86 0.04 -1.26 -4.92 135.00 138.67 2hfe s PRO 95 Ca 0.51 -0.24 -0.20 0.00 0.04 0.00 0.00 61.00 61.10 2hfe s PRO 95 Cb -0.27 -2.49 -0.03 0.00 0.04 0.00 0.00 34.50 31.75 2hfe s PRO 95 CO 0.32 -0.27 1.34 -0.06 0.04 0.00 0.00 177.00 178.37 2hfe s PHE 96 N -2.63 2.20 0.11 0.56 2.99 -1.24 -4.77 117.98 115.20 2hfe s PHE 96 Ca 0.48 1.41 -0.03 0.00 0.00 0.00 0.00 56.93 58.79 2hfe s PHE 96 Cb -0.10 -3.77 -0.03 0.00 0.00 0.00 0.00 43.02 39.12 2hfe s PHE 96 CO 0.40 -2.93 0.08 0.95 -0.00 0.00 0.00 175.22 173.73 2hfe s THR 97 N -1.34 0.13 0.14 0.64 -4.23 -1.18 -4.98 115.64 104.82 2hfe s THR 97 Ca 0.76 -1.73 0.10 0.00 -1.18 0.00 0.00 61.69 59.63 2hfe s THR 97 Cb -0.39 -1.82 -0.04 0.00 1.34 0.00 0.00 72.50 71.59 2hfe s THR 97 CO 0.45 -0.59 -0.19 -0.36 -0.54 0.00 0.00 174.62 173.39 2hfe s PHE 98 N -3.99 2.49 0.70 3.99 0.08 -1.26 -1.40 117.98 118.59 2hfe s PHE 98 Ca 0.17 -0.29 -0.10 0.00 0.12 0.00 0.00 56.93 56.84 2hfe s PHE 98 Cb 0.07 -1.29 0.03 0.00 -0.57 0.00 0.00 43.02 41.26 2hfe s PHE 98 CO -0.03 0.42 1.05 0.20 -0.10 0.00 0.00 175.22 176.77 2hfe s GLY 99 N -2.33 1.62 0.03 4.36 0.00 -0.23 -4.59 107.32 106.18 2hfe s GLY 99 Ca 0.19 -0.55 0.21 0.00 0.00 0.00 0.00 44.72 44.57 2hfe s GLY 99 CO 0.10 -0.18 1.68 -1.14 0.00 0.00 0.00 173.10 173.56 2hfe n SER 100 N -2.95 0.09 0.00 1.64 3.41 -1.25 -4.67 113.62 109.89 2hfe n SER 100 Ca 0.07 0.51 0.00 0.00 -0.26 0.00 0.00 58.87 59.19 2hfe n SER 100 Cb 0.58 -0.54 0.00 0.00 -0.26 0.00 0.00 64.21 64.00 2hfe n SER 100 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2hfe n GLY 101 N 0.66 2.02 3.16 5.00 0.00 -1.26 -5.05 105.19 109.73 2hfe n GLY 101 Ca 0.05 -1.49 -0.31 0.00 0.00 0.00 0.00 46.02 44.26 2hfe n GLY 101 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2hfe s THR 102 N -0.58 1.92 -0.06 2.61 2.01 -0.37 -4.64 115.64 116.52 2hfe s THR 102 Ca 0.00 -0.91 -0.20 0.00 0.31 0.00 0.00 61.69 60.88 2hfe s THR 102 Cb 0.00 -1.69 -0.05 0.00 0.01 0.00 0.00 72.50 70.78 2hfe s THR 102 CO 0.00 0.53 0.58 -0.75 -0.69 0.00 0.00 174.62 174.29 2hfe s LYS 103 N 0.64 4.35 -0.21 4.92 2.20 0.65 -0.12 119.74 132.17 2hfe s LYS 103 Ca -0.12 0.68 -0.12 0.00 -0.36 0.00 0.00 55.97 56.05 2hfe s LYS 103 Cb -0.16 -3.40 -0.05 0.00 -1.51 0.00 0.00 37.83 32.71 2hfe s LYS 103 CO 0.03 0.23 0.20 -1.17 -0.36 0.00 0.00 175.35 174.27 2hfe s LEU 104 N 0.32 4.18 -0.02 5.43 2.96 0.12 -0.98 118.68 130.68 2hfe s LEU 104 Ca 0.31 0.28 0.07 0.00 -0.22 0.00 0.00 54.13 54.56 2hfe s LEU 104 Cb -0.17 -2.20 -0.02 0.00 0.50 0.00 0.00 46.19 44.31 2hfe s LEU 104 CO 0.15 0.10 -0.22 -0.70 -1.32 0.00 0.00 176.35 174.36 2hfe s GLU 105 N 0.71 1.92 -0.09 1.98 2.12 0.13 -3.93 118.70 121.53 2hfe s GLU 105 Ca 0.11 -0.80 0.01 0.00 0.36 0.00 0.00 54.97 54.65 2hfe s GLU 105 Cb -0.13 -1.80 -0.02 0.00 0.26 0.00 0.00 34.13 32.44 2hfe s GLU 105 CO 0.02 0.45 -0.12 0.42 -0.54 0.00 0.00 175.26 175.49 2hfe s ILE 106 N -0.43 3.18 -0.51 -3.70 1.01 -1.26 -1.38 121.20 118.10 2hfe s ILE 106 Ca 0.06 -0.65 -0.18 0.00 0.00 0.00 0.00 60.65 59.88 2hfe s ILE 106 Cb -0.10 -2.30 0.07 0.00 0.01 0.00 0.00 42.46 40.15 2hfe s ILE 106 CO -0.00 0.56 0.58 -0.54 0.00 0.00 0.00 174.94 175.54 2hfe s LYS 107 N -0.22 3.08 0.44 2.79 1.02 0.47 -4.92 119.74 122.40 2hfe s LYS 107 Ca 0.01 -1.07 0.06 0.00 0.02 0.00 0.00 55.97 54.99 2hfe s LYS 107 Cb -0.13 -4.13 0.06 0.00 -0.52 0.00 0.00 37.83 33.10 2hfe s LYS 107 CO 0.03 -1.22 0.46 2.89 -0.92 0.00 0.00 175.35 176.59 2hfe n ARG 108 N 5.94 0.78 -2.28 1.68 1.85 -1.26 -4.11 116.66 119.26 2hfe n ARG 108 Ca -0.08 -2.59 -0.39 0.00 -1.00 0.00 0.00 57.85 53.79 2hfe n ARG 108 Cb 0.44 0.08 -0.02 0.00 -1.05 0.00 0.00 32.46 31.91 2hfe n ARG 108 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 2hfe s ALA 109 N -2.59 3.20 0.31 2.89 0.00 -1.26 -4.96 121.76 119.36 2hfe s ALA 109 Ca 0.35 1.00 -0.29 0.00 0.00 0.00 0.00 51.96 53.02 2hfe s ALA 109 Cb -0.03 -3.39 -0.13 0.00 0.00 0.00 0.00 23.12 19.58 2hfe s ALA 109 CO 0.22 -0.53 1.33 -0.25 0.00 0.00 0.00 175.76 176.53 2hfe n ASP 110 N 0.21 2.78 -3.95 0.00 8.00 -1.26 -4.84 116.55 117.48 2hfe n ASP 110 Ca 0.04 1.18 -0.21 0.00 0.71 0.00 0.00 54.79 56.51 2hfe n ASP 110 Cb 0.46 -1.47 -0.16 0.00 -0.02 0.00 0.00 41.12 39.93 2hfe n ASP 110 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2hfe s ALA 111 N -0.73 0.82 0.39 2.24 0.00 0.15 -4.93 121.76 119.70 2hfe s ALA 111 Ca 0.60 -0.21 -0.24 0.00 0.00 0.00 0.00 51.96 52.10 2hfe s ALA 111 Cb -0.59 -0.39 -0.09 0.00 0.00 0.00 0.00 23.12 22.05 2hfe s ALA 111 CO 0.58 0.07 1.05 0.00 0.00 0.00 0.00 175.76 177.46 2hfe s ALA 112 N 0.57 3.11 0.39 0.00 0.00 -1.26 -1.69 121.76 122.89 2hfe s ALA 112 Ca -0.09 0.71 -0.24 0.00 0.00 0.00 0.00 51.96 52.34 2hfe s ALA 112 Cb -0.12 -3.27 -0.09 0.00 0.00 0.00 0.00 23.12 19.63 2hfe s ALA 112 CO 0.01 -0.20 1.03 -1.25 0.00 0.00 0.00 175.76 175.35 2hfe s PRO 113 N -2.40 4.21 -0.39 0.00 0.04 -1.26 -4.49 135.00 130.71 2hfe s PRO 113 Ca 0.56 1.47 -0.15 0.00 0.04 0.00 0.00 61.00 62.92 2hfe s PRO 113 Cb -0.23 -2.54 0.01 0.00 0.04 0.00 0.00 34.50 31.78 2hfe s PRO 113 CO 0.29 -0.09 0.34 0.99 0.04 0.00 0.00 177.00 178.56 2hfe s THR 114 N -1.69 5.20 -0.10 1.26 2.01 0.73 -4.82 115.64 118.22 2hfe s THR 114 Ca 0.57 -0.34 -0.10 0.00 0.31 0.00 0.00 61.69 62.13 2hfe s THR 114 Cb -0.21 -3.90 -0.05 0.00 0.01 0.00 0.00 72.50 68.36 2hfe s THR 114 CO 0.26 -0.24 0.24 -0.69 -0.69 0.00 0.00 174.62 173.50 2hfe s VAL 115 N 1.89 5.34 -0.02 3.82 1.01 -1.26 -1.06 120.40 130.12 2hfe s VAL 115 Ca 0.09 0.43 0.01 0.00 0.00 0.00 0.00 61.98 62.50 2hfe s VAL 115 Cb -0.18 -3.53 0.02 0.00 0.00 0.00 0.00 36.38 32.69 2hfe s VAL 115 CO 0.11 0.56 -0.02 -0.44 0.00 0.00 0.00 175.10 175.32 2hfe s SER 116 N -0.69 0.46 -0.09 3.32 0.01 -0.48 -4.97 113.70 111.27 2hfe s SER 116 Ca 0.17 -0.05 0.01 0.00 1.31 0.00 0.00 55.95 57.39 2hfe s SER 116 Cb -0.13 -0.19 -0.03 0.00 0.21 0.00 0.00 66.02 65.88 2hfe s SER 116 CO 0.06 -0.05 -0.10 -0.51 0.41 0.00 0.00 173.24 173.06 2hfe s ILE 117 N 0.63 3.43 -0.11 1.44 1.10 -1.26 -0.79 121.20 125.64 2hfe s ILE 117 Ca -0.07 -0.57 0.01 0.00 -0.51 0.00 0.00 60.65 59.52 2hfe s ILE 117 Cb -0.10 -2.41 0.02 0.00 0.15 0.00 0.00 42.46 40.12 2hfe s ILE 117 CO -0.01 0.57 -0.13 -0.36 -2.11 0.00 0.00 174.94 172.90 2hfe s PHE 118 N -0.42 1.81 0.63 3.50 0.40 0.17 -5.00 117.98 119.06 2hfe s PHE 118 Ca 0.06 -0.85 -0.14 0.00 -0.60 0.00 0.00 56.93 55.40 2hfe s PHE 118 Cb -0.12 -1.34 -0.02 0.00 0.51 0.00 0.00 43.02 42.04 2hfe s PHE 118 CO 0.02 -0.47 1.05 -2.14 0.70 0.00 0.00 175.22 174.38 2hfe s PRO 119 N 1.12 3.25 0.81 0.24 0.02 -1.26 -2.02 135.00 137.17 2hfe s PRO 119 Ca -0.04 1.05 -0.13 0.00 0.02 0.00 0.00 61.00 61.90 2hfe s PRO 119 Cb -0.14 -2.03 0.08 0.00 0.02 0.00 0.00 34.50 32.43 2hfe s PRO 119 CO -0.03 -0.85 1.19 -1.25 -0.33 0.00 0.00 177.00 175.73 2hfe s PRO 120 N -4.53 1.67 0.73 5.54 0.04 -1.23 -4.84 135.00 132.38 2hfe s PRO 120 Ca 0.60 1.69 -0.08 0.00 0.04 0.00 0.00 61.00 63.25 2hfe s PRO 120 Cb -0.14 -1.79 0.07 0.00 0.04 0.00 0.00 34.50 32.68 2hfe s PRO 120 CO 0.45 -2.17 1.05 -1.54 0.04 0.00 0.00 177.00 174.82 2hfe s SER 121 N -2.29 4.74 0.10 6.66 1.04 -1.26 -4.98 113.70 117.71 2hfe s SER 121 Ca 0.72 0.51 -0.13 0.00 0.48 0.00 0.00 55.95 57.52 2hfe s SER 121 Cb -0.27 -1.12 -0.15 0.00 0.10 0.00 0.00 66.02 64.58 2hfe s SER 121 CO 0.51 -1.67 1.32 0.28 0.98 0.00 0.00 173.24 174.66 2hfe h SER 122 N -0.69 0.95 0.25 7.02 0.02 -1.99 -2.86 113.55 116.24 2hfe h SER 122 Ca -0.45 -0.62 -0.02 0.00 -0.84 0.00 0.00 61.79 59.87 2hfe h SER 122 Cb 1.32 -0.28 -0.00 0.00 0.14 0.00 0.00 62.40 63.58 2hfe h SER 122 CO 0.61 1.41 -0.10 -0.33 -1.14 0.00 0.00 176.83 177.28 2hfe h GLU 123 N 0.55 0.00 0.07 3.45 3.07 -1.99 -1.86 114.58 117.87 2hfe h GLU 123 Ca -0.04 0.00 -0.00 0.00 -0.50 0.00 0.00 59.36 58.81 2hfe h GLU 123 Cb 1.37 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.28 2hfe h GLU 123 CO 0.15 0.10 -0.03 0.37 -1.40 0.00 0.00 179.01 178.20 2hfe h GLN 124 N 0.00 -0.09 -0.94 2.33 4.15 -1.84 -3.19 115.11 115.53 2hfe h GLN 124 Ca -0.00 0.01 0.26 0.00 0.77 0.00 0.00 58.65 59.68 2hfe h GLN 124 Cb 0.25 0.02 -0.14 0.00 0.21 0.00 0.00 27.48 27.82 2hfe h GLN 124 CO 0.01 0.28 0.44 -0.07 -1.93 0.00 0.00 178.83 177.56 2hfe h LEU 125 N -0.98 0.37 -1.35 -2.39 3.38 -1.31 0.38 115.31 113.41 2hfe h LEU 125 Ca -0.01 0.17 0.09 0.00 0.09 0.00 0.00 57.88 58.22 2hfe h LEU 125 Cb 0.40 0.15 -0.05 0.00 0.09 0.00 0.00 40.66 41.25 2hfe h LEU 125 CO 0.02 -0.05 0.51 0.74 0.09 0.00 0.00 178.44 179.75 2hfe h THR 126 N 0.37 0.96 0.00 0.22 2.02 -1.42 0.11 112.91 115.17 2hfe h THR 126 Ca 0.62 -0.25 -0.10 0.00 0.77 0.00 0.00 66.41 67.45 2hfe h THR 126 Cb 1.28 0.15 -0.01 0.00 -1.74 0.00 0.00 68.15 67.83 2hfe h THR 126 CO -0.57 0.14 -0.47 -1.28 0.37 0.00 0.00 175.52 173.71 2hfe h SER 127 N 0.74 0.00 0.00 4.18 0.87 -0.28 -3.48 113.55 115.59 2hfe h SER 127 Ca 0.36 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.92 2hfe h SER 127 Cb 0.41 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.37 2hfe h SER 127 CO -0.14 0.47 0.00 0.61 -0.53 0.00 0.00 176.83 177.24 2hfe n GLY 128 N 0.66 0.65 3.58 5.77 0.00 0.38 -5.09 105.19 111.14 2hfe n GLY 128 Ca 0.01 -0.21 -0.07 0.00 0.00 0.00 0.00 46.02 45.74 2hfe n GLY 128 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2hfe s GLY 129 N -1.01 -0.25 -0.04 -0.02 0.00 -1.22 -3.96 107.32 100.82 2hfe s GLY 129 Ca 0.00 1.83 0.01 0.00 0.00 0.00 0.00 44.72 46.56 2hfe s GLY 129 CO 0.00 0.75 -0.05 0.00 0.00 0.00 0.00 173.10 173.79 2hfe s ALA 130 N -1.91 0.67 -0.17 3.20 0.00 -0.14 -2.73 121.76 120.68 2hfe s ALA 130 Ca 0.05 -0.10 0.01 0.00 0.00 0.00 0.00 51.96 51.92 2hfe s ALA 130 Cb -0.01 -0.38 0.03 0.00 0.00 0.00 0.00 23.12 22.76 2hfe s ALA 130 CO -0.04 0.03 -0.15 -1.12 0.00 0.00 0.00 175.76 174.48 2hfe s SER 131 N 0.72 2.94 -0.47 0.00 0.01 -1.26 -1.86 113.70 113.78 2hfe s SER 131 Ca -0.10 -0.61 -0.16 0.00 1.31 0.00 0.00 55.95 56.39 2hfe s SER 131 Cb -0.13 -1.26 0.06 0.00 0.21 0.00 0.00 66.02 64.91 2hfe s SER 131 CO 0.00 -0.06 0.44 -0.69 0.41 0.00 0.00 173.24 173.34 2hfe s VAL 132 N 1.42 5.15 -0.03 3.43 1.01 -0.74 -3.54 120.40 127.11 2hfe s VAL 132 Ca 0.04 -0.86 -0.15 0.00 0.00 0.00 0.00 61.98 61.00 2hfe s VAL 132 Cb -0.14 -4.14 -0.05 0.00 0.00 0.00 0.00 36.38 32.05 2hfe s VAL 132 CO -0.11 -0.59 0.42 -0.69 0.00 0.00 0.00 175.10 174.13 2hfe s VAL 133 N 1.88 5.06 -0.03 2.92 1.01 -0.85 -2.63 120.40 127.76 2hfe s VAL 133 Ca 0.07 0.85 0.04 0.00 0.00 0.00 0.00 61.98 62.93 2hfe s VAL 133 Cb -0.22 -3.73 -0.00 0.00 0.00 0.00 0.00 36.38 32.43 2hfe s VAL 133 CO 0.08 0.53 -0.13 0.00 0.00 0.00 0.00 175.10 175.58 2hfe s PHE 135 N -0.01 2.72 -0.36 0.00 0.08 0.03 -1.41 117.98 119.03 2hfe s PHE 135 Ca -0.01 -0.80 -0.03 0.00 0.12 0.00 0.00 56.93 56.20 2hfe s PHE 135 Cb -0.09 -1.80 0.08 0.00 -0.57 0.00 0.00 43.02 40.64 2hfe s PHE 135 CO 0.01 -0.29 0.13 -0.51 -0.10 0.00 0.00 175.22 174.45 2hfe s LEU 136 N 0.36 4.67 0.02 -0.37 2.01 0.54 -1.38 118.68 124.53 2hfe s LEU 136 Ca -0.14 -1.62 0.06 0.00 0.01 0.00 0.00 54.13 52.45 2hfe s LEU 136 Cb -0.17 -1.81 -0.03 0.00 0.01 0.00 0.00 46.19 44.20 2hfe s LEU 136 CO 0.07 -0.42 -0.17 0.20 1.01 0.00 0.00 176.35 177.04 2hfe s ASN 137 N 1.60 3.89 -1.35 2.29 0.02 -0.22 0.09 114.94 121.25 2hfe s ASN 137 Ca 0.02 -0.37 -0.02 0.00 -1.02 0.00 0.00 52.86 51.47 2hfe s ASN 137 Cb -0.21 -0.68 0.01 0.00 0.02 0.00 0.00 41.25 40.39 2hfe s ASN 137 CO -0.02 0.27 0.72 0.59 0.02 0.00 0.00 177.10 178.68 2hfe n ASN 138 N 1.69 -1.63 -4.92 -1.22 3.02 -1.04 -0.19 115.26 110.96 2hfe n ASN 138 Ca -0.16 -0.83 -0.20 0.00 -0.03 0.00 0.00 54.58 53.36 2hfe n ASN 138 Cb 0.52 -3.95 -0.02 0.00 -0.61 0.00 0.00 39.78 35.73 2hfe n ASN 138 CO 0.00 0.00 0.00 0.72 -2.62 0.00 0.00 177.26 175.36 2hfe s PHE 139 N -3.64 2.91 -0.29 3.10 -0.12 -0.08 -4.59 117.98 115.28 2hfe s PHE 139 Ca 0.10 -0.33 -0.17 0.00 -0.05 0.00 0.00 56.93 56.48 2hfe s PHE 139 Cb -0.05 -2.03 0.14 0.00 -0.63 0.00 0.00 43.02 40.45 2hfe s PHE 139 CO 0.82 -0.04 0.96 -0.47 -0.05 0.00 0.00 175.22 176.44 2hfe s TYR 140 N -2.31 -0.60 1.22 3.49 6.14 -0.68 -0.29 117.35 124.32 2hfe s TYR 140 Ca 0.46 1.23 -0.16 0.00 0.64 0.00 0.00 57.07 59.24 2hfe s TYR 140 Cb -0.07 0.37 0.30 0.00 0.42 0.00 0.00 41.96 42.98 2hfe s TYR 140 CO 0.29 -0.30 1.02 -1.25 0.64 0.00 0.00 175.55 175.95 2hfe s PRO 141 N 1.25 -1.33 0.39 4.97 0.04 -1.26 -0.67 135.00 138.38 2hfe s PRO 141 Ca -0.08 0.50 0.28 0.00 0.04 0.00 0.00 61.00 61.74 2hfe s PRO 141 Cb -0.04 -1.53 1.11 0.00 0.04 0.00 0.00 34.50 34.08 2hfe s PRO 141 CO -0.14 -3.91 1.83 1.57 0.04 0.00 0.00 177.00 176.39 2hfe h LYS 142 N -2.74 0.00 -6.50 4.56 2.10 -1.97 -3.45 116.57 108.57 2hfe h LYS 142 Ca -0.55 0.00 -0.53 0.00 -2.00 0.00 0.00 60.65 57.57 2hfe h LYS 142 Cb 1.33 0.00 0.02 0.00 -0.90 0.00 0.00 32.23 32.69 2hfe h LYS 142 CO 0.45 0.00 0.88 -0.51 -2.00 0.00 0.00 179.45 178.27 2hfe s ASP 143 N -4.99 6.68 -0.22 7.07 1.01 -1.26 -4.98 116.67 119.99 2hfe s ASP 143 Ca 0.03 2.43 -0.27 0.00 0.71 0.00 0.00 52.55 55.45 2hfe s ASP 143 Cb 0.09 -2.58 0.13 0.00 1.01 0.00 0.00 42.92 41.57 2hfe s ASP 143 CO 0.48 -0.79 1.04 -0.51 0.21 0.00 0.00 175.17 175.60 2hfe s ILE 144 N 1.83 0.00 0.06 0.77 2.07 -1.26 -4.64 121.20 120.03 2hfe s ILE 144 Ca 0.69 0.00 0.08 0.00 -1.41 0.00 0.00 60.65 60.02 2hfe s ILE 144 Cb -0.39 -1.00 -0.03 0.00 0.13 0.00 0.00 42.46 41.17 2hfe s ILE 144 CO 0.31 0.00 -0.23 0.20 -1.91 0.00 0.00 174.94 173.30 2hfe s ASN 145 N -0.43 2.81 -0.06 4.50 0.01 -1.05 -5.02 114.94 115.71 2hfe s ASN 145 Ca 0.01 -0.59 0.01 0.00 -0.71 0.00 0.00 52.86 51.58 2hfe s ASN 145 Cb -0.03 -0.23 0.02 0.00 0.41 0.00 0.00 41.25 41.42 2hfe s ASN 145 CO -0.03 0.19 -0.07 0.54 -1.51 0.00 0.00 177.10 176.22 2hfe s VAL 146 N -0.87 0.77 -0.09 1.60 0.11 -1.26 -0.90 120.40 119.77 2hfe s VAL 146 Ca 0.10 -0.24 -0.00 0.00 -2.93 0.00 0.00 61.98 58.90 2hfe s VAL 146 Cb -0.09 -0.76 -0.03 0.00 -1.53 0.00 0.00 36.38 33.96 2hfe s VAL 146 CO 0.03 0.28 -0.07 -0.75 -3.33 0.00 0.00 175.10 171.26 2hfe s LYS 147 N 0.97 2.95 -0.22 1.54 2.20 -0.05 -4.93 119.74 122.20 2hfe s LYS 147 Ca -0.10 -0.55 -0.07 0.00 -0.36 0.00 0.00 55.97 54.90 2hfe s LYS 147 Cb -0.15 -2.65 -0.03 0.00 -1.51 0.00 0.00 37.83 33.49 2hfe s LYS 147 CO 0.00 0.57 0.04 -1.58 -0.36 0.00 0.00 175.35 174.02 2hfe s TRP 148 N -0.54 3.09 -0.15 4.03 0.52 -1.26 -0.95 118.94 123.68 2hfe s TRP 148 Ca 0.08 -0.37 0.02 0.00 0.02 0.00 0.00 56.10 55.85 2hfe s TRP 148 Cb -0.12 -2.16 0.01 0.00 -1.15 0.00 0.00 33.47 30.05 2hfe s TRP 148 CO 0.02 -0.25 -0.21 0.15 0.02 0.00 0.00 176.95 176.67 2hfe s LYS 149 N 1.24 3.00 -0.22 4.98 1.02 -0.68 0.30 119.74 129.37 2hfe s LYS 149 Ca 0.04 -0.84 -0.05 0.00 0.02 0.00 0.00 55.97 55.14 2hfe s LYS 149 Cb -0.15 -2.45 -0.02 0.00 -0.52 0.00 0.00 37.83 34.69 2hfe s LYS 149 CO 0.03 -0.06 0.00 0.42 -0.92 0.00 0.00 175.35 174.83 2hfe s ILE 150 N 0.91 3.82 -1.30 2.17 1.01 0.93 -0.22 121.20 128.53 2hfe s ILE 150 Ca -0.05 -0.34 -0.05 0.00 0.00 0.00 0.00 60.65 60.21 2hfe s ILE 150 Cb -0.15 -2.75 -0.00 0.00 0.01 0.00 0.00 42.46 39.56 2hfe s ILE 150 CO -0.04 0.40 0.62 0.47 0.00 0.00 0.00 174.94 176.38 2hfe n ASP 151 N 4.70 -1.88 0.00 3.58 8.00 0.12 -1.23 116.55 129.84 2hfe n ASP 151 Ca -0.17 -0.93 0.00 0.00 0.71 0.00 0.00 54.79 54.40 2hfe n ASP 151 Cb 0.51 -3.57 0.00 0.00 -0.02 0.00 0.00 41.12 38.04 2hfe n ASP 151 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2hfe n GLY 152 N -1.74 1.96 3.53 0.44 0.00 -1.26 -4.98 105.19 103.15 2hfe n GLY 152 Ca -0.25 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.41 2hfe n GLY 152 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2hfe s SER 153 N -3.32 5.36 0.13 1.61 0.01 -0.37 -4.99 113.70 112.13 2hfe s SER 153 Ca 0.00 -0.07 -0.35 0.00 1.31 0.00 0.00 55.95 56.84 2hfe s SER 153 Cb 0.00 -1.94 -0.15 0.00 0.21 0.00 0.00 66.02 64.13 2hfe s SER 153 CO 0.00 0.06 1.39 1.21 0.41 0.00 0.00 173.24 176.32 2hfe n GLU 154 N 4.26 1.51 -4.27 12.44 2.13 -1.26 -0.05 120.64 135.41 2hfe n GLU 154 Ca -0.16 0.54 -0.29 0.00 0.66 0.00 0.00 57.16 57.91 2hfe n GLU 154 Cb 0.52 -2.21 -0.11 0.00 0.27 0.00 0.00 31.44 29.92 2hfe n GLU 154 CO 0.00 0.00 0.00 0.50 -0.41 0.00 0.00 177.13 177.22 2hfe s ARG 155 N 0.43 1.95 0.00 5.31 6.06 0.89 -4.81 118.95 128.77 2hfe s ARG 155 Ca 0.80 -1.13 0.00 0.00 -2.50 0.00 0.00 55.73 52.90 2hfe s ARG 155 Cb -0.84 -2.19 0.00 0.00 0.06 0.00 0.00 34.95 31.98 2hfe s ARG 155 CO 0.45 0.49 0.00 1.04 -2.50 0.00 0.00 175.30 174.78 2hfe n GLN 156 N 0.68 4.71 -2.70 5.12 6.02 -1.26 -4.28 117.38 125.66 2hfe n GLN 156 Ca -0.14 0.00 -0.43 0.00 -0.01 0.00 0.00 57.00 56.42 2hfe n GLN 156 Cb 0.53 -0.48 -0.02 0.00 1.02 0.00 0.00 30.24 31.28 2hfe n GLN 156 CO 0.00 0.00 0.00 -0.80 -1.01 0.00 0.00 177.06 175.25 2hfe s ASN 157 N -0.18 7.14 0.00 1.08 -0.87 -1.26 -3.55 114.94 117.30 2hfe s ASN 157 Ca 0.00 1.42 0.00 0.00 -1.57 0.00 0.00 52.86 52.71 2hfe s ASN 157 Cb 0.00 -2.54 0.00 0.00 -0.02 0.00 0.00 41.25 38.69 2hfe s ASN 157 CO 0.00 -0.55 0.00 0.61 -2.57 0.00 0.00 177.10 174.59 2hfe n GLY 158 N 3.25 0.74 3.49 0.66 0.00 -1.26 -4.81 105.19 107.25 2hfe n GLY 158 Ca 0.10 -0.14 -0.42 0.00 0.00 0.00 0.00 46.02 45.55 2hfe n GLY 158 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2hfe s VAL 159 N -2.00 5.21 -0.13 1.61 1.01 -1.23 -1.44 120.40 123.42 2hfe s VAL 159 Ca 0.00 -0.39 -0.02 0.00 0.00 0.00 0.00 61.98 61.57 2hfe s VAL 159 Cb 0.00 -3.90 -0.02 0.00 0.00 0.00 0.00 36.38 32.45 2hfe s VAL 159 CO 0.00 -0.25 -0.08 -0.76 0.00 0.00 0.00 175.10 174.01 2hfe s LEU 160 N 1.86 3.01 0.27 3.92 1.43 -0.36 -4.95 118.68 123.86 2hfe s LEU 160 Ca 0.08 -0.20 0.08 0.00 -1.03 0.00 0.00 54.13 53.06 2hfe s LEU 160 Cb -0.18 -1.70 -0.04 0.00 0.03 0.00 0.00 46.19 44.30 2hfe s LEU 160 CO 0.11 0.19 0.09 0.20 0.23 0.00 0.00 176.35 177.18 2hfe s ASN 161 N 0.22 4.93 -0.16 2.29 0.01 -1.26 -0.81 114.94 120.15 2hfe s ASN 161 Ca -0.05 -0.52 -0.12 0.00 -0.71 0.00 0.00 52.86 51.46 2hfe s ASN 161 Cb -0.14 -1.03 0.05 0.00 0.41 0.00 0.00 41.25 40.53 2hfe s ASN 161 CO 0.04 -0.06 0.42 -0.55 -1.51 0.00 0.00 177.10 175.44 2hfe s SER 162 N -3.76 -0.48 0.11 -1.22 0.15 -0.20 -5.00 113.70 103.30 2hfe s SER 162 Ca 0.33 0.87 0.10 0.00 0.70 0.00 0.00 55.95 57.95 2hfe s SER 162 Cb -0.06 0.82 -0.04 0.00 -1.71 0.00 0.00 66.02 65.03 2hfe s SER 162 CO 0.22 -0.17 -0.26 0.26 1.20 0.00 0.00 173.24 174.49 2hfe s TRP 163 N 0.76 2.26 0.47 3.44 0.51 -1.26 -0.71 118.94 124.40 2hfe s TRP 163 Ca -0.04 -0.39 0.02 0.00 -2.12 0.00 0.00 56.10 53.56 2hfe s TRP 163 Cb -0.05 -1.26 0.01 0.00 -0.81 0.00 0.00 33.47 31.36 2hfe s TRP 163 CO -0.06 0.27 0.68 0.95 -0.51 0.00 0.00 176.95 178.28 2hfe s THR 164 N -1.00 3.55 0.75 2.01 -4.23 -0.79 -5.01 115.64 110.92 2hfe s THR 164 Ca 0.13 -0.62 -0.08 0.00 -1.18 0.00 0.00 61.69 59.93 2hfe s THR 164 Cb -0.10 -3.30 0.09 0.00 1.34 0.00 0.00 72.50 70.52 2hfe s THR 164 CO 0.05 -0.20 1.08 -1.81 -0.54 0.00 0.00 174.62 173.20 2hfe s ASP 165 N -4.28 4.53 0.41 3.99 1.11 -1.26 -4.60 116.67 116.57 2hfe s ASP 165 Ca 0.51 0.43 -0.25 0.00 0.18 0.00 0.00 52.55 53.42 2hfe s ASP 165 Cb -0.10 -0.96 -0.11 0.00 1.07 0.00 0.00 42.92 42.82 2hfe s ASP 165 CO 0.37 -1.80 1.04 1.67 1.18 0.00 0.00 175.17 177.63 2hfe n GLN 166 N -3.08 1.41 -2.95 8.23 7.27 -1.26 -4.75 117.38 122.25 2hfe n GLN 166 Ca 0.09 0.51 -0.41 0.00 0.07 0.00 0.00 57.00 57.26 2hfe n GLN 166 Cb 0.60 -2.07 -0.04 0.00 2.41 0.00 0.00 30.24 31.14 2hfe n GLN 166 CO 0.00 0.00 0.00 0.34 0.07 0.00 0.00 177.06 177.47 2hfe s ASP 167 N -0.71 6.96 0.00 1.69 2.15 0.60 -4.94 116.67 122.43 2hfe s ASP 167 Ca 0.63 1.17 0.17 0.00 0.43 0.00 0.00 52.55 54.95 2hfe s ASP 167 Cb -0.56 -2.44 1.00 0.00 -0.30 0.00 0.00 42.92 40.62 2hfe s ASP 167 CO 0.57 -0.30 1.41 -1.54 -0.17 0.00 0.00 175.17 175.15 2hfe n SER 168 N 4.72 0.00 -0.09 -0.34 3.41 -1.26 0.16 113.62 120.22 2hfe n SER 168 Ca 0.02 -0.51 -0.23 0.00 -0.26 0.00 0.00 58.87 57.90 2hfe n SER 168 Cb 0.50 -0.01 -0.12 0.00 -0.26 0.00 0.00 64.21 64.32 2hfe n SER 168 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 2hfe n LYS 169 N -1.01 0.65 -0.05 4.33 4.76 -1.26 -2.47 118.16 123.11 2hfe n LYS 169 Ca 0.12 0.32 0.00 0.00 -2.87 0.00 0.00 58.31 55.89 2hfe n LYS 169 Cb 0.06 -1.63 0.00 0.00 -1.84 0.00 0.00 35.03 31.63 2hfe n LYS 169 CO 0.00 0.00 0.00 -0.40 -1.37 0.00 0.00 177.40 175.63 2hfe n ASP 170 N -3.85 0.53 -1.17 4.39 5.75 -1.17 -4.84 116.55 116.18 2hfe n ASP 170 Ca -0.40 -1.39 -0.15 0.00 -0.01 0.00 0.00 54.79 52.83 2hfe n ASP 170 Cb 0.91 -0.03 -0.07 0.00 -1.03 0.00 0.00 41.12 40.90 2hfe n ASP 170 CO 0.00 0.00 0.00 -1.20 -0.11 0.00 0.00 177.20 175.89 2hfe n SER 171 N -0.16 -4.86 -5.02 -1.12 7.64 0.12 -4.97 113.62 105.24 2hfe n SER 171 Ca 0.01 0.38 -0.19 0.00 1.01 0.00 0.00 58.87 60.08 2hfe n SER 171 Cb 0.47 -3.71 0.04 0.00 -1.01 0.00 0.00 64.21 60.00 2hfe n SER 171 CO 0.00 0.00 0.00 0.42 -3.01 0.00 0.00 175.04 172.45 2hfe s THR 172 N -2.56 2.42 0.29 0.44 -4.23 -1.26 -4.61 115.64 106.13 2hfe s THR 172 Ca 0.00 -1.01 0.11 0.00 -1.18 0.00 0.00 61.69 59.61 2hfe s THR 172 Cb 0.00 -2.43 -0.05 0.00 1.34 0.00 0.00 72.50 71.36 2hfe s THR 172 CO 0.00 0.00 -0.15 -0.31 -0.54 0.00 0.00 174.62 173.62 2hfe s TYR 173 N -2.56 2.36 0.09 3.99 1.51 0.60 -0.29 117.35 123.05 2hfe s TYR 173 Ca 0.59 -0.36 -0.03 0.00 -1.01 0.00 0.00 57.07 56.27 2hfe s TYR 173 Cb -0.07 -1.11 -0.03 0.00 -0.11 0.00 0.00 41.96 40.64 2hfe s TYR 173 CO 0.37 0.67 0.06 -1.12 -1.11 0.00 0.00 175.55 174.42 2hfe s SER 174 N -3.55 0.34 -0.08 2.29 0.01 -1.26 -0.90 113.70 110.54 2hfe s SER 174 Ca 0.31 -1.02 -0.16 0.00 1.31 0.00 0.00 55.95 56.39 2hfe s SER 174 Cb -0.03 0.27 0.03 0.00 0.21 0.00 0.00 66.02 66.50 2hfe s SER 174 CO 0.16 -0.69 0.38 -0.32 0.41 0.00 0.00 173.24 173.18 2hfe s MET 175 N -3.96 0.60 -0.06 12.44 0.00 0.11 -1.88 119.30 126.54 2hfe s MET 175 Ca 0.14 0.21 0.03 0.00 0.00 0.00 0.00 55.69 56.07 2hfe s MET 175 Cb 0.07 0.28 0.01 0.00 0.00 0.00 0.00 34.83 35.19 2hfe s MET 175 CO -0.05 -0.13 -0.14 -1.54 0.00 0.00 0.00 175.02 173.15 2hfe s SER 176 N -0.56 1.99 -0.12 1.11 1.04 0.11 -0.34 113.70 116.93 2hfe s SER 176 Ca -0.07 -0.34 0.02 0.00 0.48 0.00 0.00 55.95 56.05 2hfe s SER 176 Cb -0.04 -0.85 -0.00 0.00 0.10 0.00 0.00 66.02 65.23 2hfe s SER 176 CO 0.03 0.07 -0.19 -0.55 0.98 0.00 0.00 173.24 173.58 2hfe s SER 177 N 0.50 3.44 -0.15 7.02 0.15 -0.50 -1.03 113.70 123.13 2hfe s SER 177 Ca -0.13 -0.49 0.00 0.00 0.70 0.00 0.00 55.95 56.03 2hfe s SER 177 Cb -0.15 -1.50 0.03 0.00 -1.71 0.00 0.00 66.02 62.69 2hfe s SER 177 CO 0.04 0.14 -0.10 -0.89 1.20 0.00 0.00 173.24 173.63 2hfe s THR 178 N 0.50 1.33 -0.42 6.45 2.01 0.01 -1.34 115.64 124.18 2hfe s THR 178 Ca -0.13 -0.57 -0.16 0.00 0.31 0.00 0.00 61.69 61.14 2hfe s THR 178 Cb -0.17 -1.34 0.02 0.00 0.01 0.00 0.00 72.50 71.03 2hfe s THR 178 CO 0.05 0.34 0.37 -0.22 -0.69 0.00 0.00 174.62 174.46 2hfe s LEU 179 N 1.57 5.01 -0.16 4.42 2.96 -1.08 -1.23 118.68 130.17 2hfe s LEU 179 Ca 0.03 -0.81 -0.06 0.00 -0.22 0.00 0.00 54.13 53.07 2hfe s LEU 179 Cb -0.14 -2.26 -0.04 0.00 0.50 0.00 0.00 46.19 44.25 2hfe s LEU 179 CO -0.09 -0.52 0.05 -0.89 -1.32 0.00 0.00 176.35 173.58 2hfe s THR 180 N 1.89 4.69 -0.02 3.68 2.01 -0.52 -1.78 115.64 125.59 2hfe s THR 180 Ca 0.08 -0.08 -0.16 0.00 0.31 0.00 0.00 61.69 61.85 2hfe s THR 180 Cb -0.18 -3.09 0.03 0.00 0.01 0.00 0.00 72.50 69.27 2hfe s THR 180 CO 0.12 0.49 0.34 -1.48 -0.69 0.00 0.00 174.62 173.40 2hfe s LEU 181 N 0.10 0.73 1.00 4.42 0.05 -0.78 -4.68 118.68 119.54 2hfe s LEU 181 Ca 0.04 0.15 -0.13 0.00 0.05 0.00 0.00 54.13 54.24 2hfe s LEU 181 Cb -0.12 1.36 0.11 0.00 -2.05 0.00 0.00 46.19 45.49 2hfe s LEU 181 CO 0.01 -0.45 0.59 0.35 -0.55 0.00 0.00 176.35 176.30 2hfe n THR 182 N 1.29 0.00 -0.30 5.48 -2.24 -1.26 -0.97 114.28 116.28 2hfe n THR 182 Ca -0.21 -0.20 0.04 0.00 -2.27 0.00 0.00 64.05 61.41 2hfe n THR 182 Cb 0.56 -0.76 0.18 0.00 -2.10 0.00 0.00 70.33 68.22 2hfe n THR 182 CO 0.00 0.00 0.00 0.50 -0.57 0.00 0.00 175.07 175.00 2hfe h LYS 183 N -1.89 0.78 0.00 -0.78 3.64 -1.84 -2.11 116.57 114.38 2hfe h LYS 183 Ca -0.48 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 58.86 2hfe h LYS 183 Cb 1.30 -0.18 0.00 0.00 -0.41 0.00 0.00 32.23 32.94 2hfe h LYS 183 CO 0.38 0.52 0.00 -0.25 -2.27 0.00 0.00 179.45 177.83 2hfe n ASP 184 N -4.74 0.00 -0.29 4.20 9.92 -1.26 -1.97 116.55 122.41 2hfe n ASP 184 Ca 0.15 0.67 0.27 0.00 -0.53 0.00 0.00 54.79 55.34 2hfe n ASP 184 Cb 0.30 -0.17 0.48 0.00 -0.64 0.00 0.00 41.12 41.09 2hfe n ASP 184 CO 0.00 0.00 0.00 1.21 0.13 0.00 0.00 177.20 178.54 2hfe n GLU 185 N -1.12 -0.04 0.21 -1.24 4.07 -1.16 0.34 120.64 121.70 2hfe n GLU 185 Ca 0.00 1.01 0.08 0.00 -0.06 0.00 0.00 57.16 58.19 2hfe n GLU 185 Cb 0.00 -1.88 0.39 0.00 -0.06 0.00 0.00 31.44 29.89 2hfe n GLU 185 CO 0.00 0.00 0.00 -0.92 -0.06 0.00 0.00 177.13 176.15 2hfe h TYR 186 N 0.00 0.00 0.39 4.31 3.20 -1.20 -3.31 116.97 120.36 2hfe h TYR 186 Ca 0.66 0.00 -0.02 0.00 3.14 0.00 0.00 58.73 62.51 2hfe h TYR 186 Cb 1.91 0.00 0.00 0.00 1.54 0.00 0.00 36.73 40.18 2hfe h TYR 186 CO -0.01 0.28 -0.19 0.93 -1.64 0.00 0.00 178.16 177.53 2hfe h GLU 187 N 0.00 -0.50 -2.00 1.82 4.39 0.65 -3.32 114.58 115.61 2hfe h GLU 187 Ca -0.00 0.03 0.00 0.00 0.34 0.00 0.00 59.36 59.73 2hfe h GLU 187 Cb 0.84 0.11 0.00 0.00 -0.10 0.00 0.00 28.75 29.60 2hfe h GLU 187 CO 0.04 -0.22 0.00 2.89 -1.16 0.00 0.00 179.01 180.56 2hfe n ARG 188 N -5.14 0.48 -3.60 2.33 1.85 -1.16 -4.67 116.66 106.76 2hfe n ARG 188 Ca -0.08 0.00 -0.15 0.00 -1.00 0.00 0.00 57.85 56.61 2hfe n ARG 188 Cb 0.26 -1.26 -0.06 0.00 -1.05 0.00 0.00 32.46 30.35 2hfe n ARG 188 CO 0.00 0.00 0.00 -1.01 -0.01 0.00 0.00 177.63 176.61 2hfe s HIS 189 N 1.03 -0.45 -0.03 2.89 3.76 -1.25 -5.09 115.29 116.16 2hfe s HIS 189 Ca 0.00 0.65 -0.01 0.00 -0.15 0.00 0.00 55.06 55.54 2hfe s HIS 189 Cb 0.00 0.31 -0.01 0.00 1.11 0.00 0.00 32.58 33.99 2hfe s HIS 189 CO 0.00 -0.57 -0.03 -1.71 -0.85 0.00 0.00 174.74 171.57 2hfe n ASN 190 N 0.78 0.22 -4.73 1.40 5.15 -1.26 -4.79 115.26 112.03 2hfe n ASN 190 Ca -0.19 0.03 -0.37 0.00 -0.60 0.00 0.00 54.58 53.45 2hfe n ASN 190 Cb 0.58 -0.07 -0.07 0.00 -0.53 0.00 0.00 39.78 39.69 2hfe n ASN 190 CO 0.00 0.00 0.00 -0.55 1.40 0.00 0.00 177.26 178.11 2hfe s SER 191 N -5.21 6.47 -0.14 1.20 0.15 -1.26 -1.74 113.70 113.16 2hfe s SER 191 Ca -0.04 0.55 0.00 0.00 0.70 0.00 0.00 55.95 57.16 2hfe s SER 191 Cb 0.01 -2.19 0.02 0.00 -1.71 0.00 0.00 66.02 62.16 2hfe s SER 191 CO 0.04 0.10 -0.13 -0.31 1.20 0.00 0.00 173.24 174.15 2hfe s TYR 192 N 0.40 2.05 -0.01 3.44 1.51 -0.42 -0.70 117.35 123.62 2hfe s TYR 192 Ca 0.17 -1.15 0.08 0.00 -1.01 0.00 0.00 57.07 55.16 2hfe s TYR 192 Cb -0.13 -1.53 -0.02 0.00 -0.11 0.00 0.00 41.96 40.17 2hfe s TYR 192 CO 0.05 -0.65 -0.25 0.99 -1.11 0.00 0.00 175.55 174.59 2hfe s THR 193 N 1.53 1.94 -0.15 -0.71 2.01 0.70 -1.81 115.64 119.15 2hfe s THR 193 Ca 0.05 -1.08 0.02 0.00 0.31 0.00 0.00 61.69 60.99 2hfe s THR 193 Cb -0.13 -1.62 0.01 0.00 0.01 0.00 0.00 72.50 70.78 2hfe s THR 193 CO -0.10 0.52 -0.21 0.00 -0.69 0.00 0.00 174.62 174.14 2hfe s GLU 195 N 0.97 2.28 -0.17 0.00 2.02 -0.12 -0.46 118.70 123.22 2hfe s GLU 195 Ca -0.04 -0.91 0.01 0.00 0.02 0.00 0.00 54.97 54.05 2hfe s GLU 195 Cb -0.15 -2.08 0.02 0.00 0.10 0.00 0.00 34.13 32.02 2hfe s GLU 195 CO -0.05 0.48 -0.19 0.00 0.02 0.00 0.00 175.26 175.53 2hfe s ALA 196 N -0.42 2.20 -0.24 5.21 0.00 0.96 -0.87 121.76 128.60 2hfe s ALA 196 Ca 0.04 -1.12 -0.10 0.00 0.00 0.00 0.00 51.96 50.79 2hfe s ALA 196 Cb -0.11 -1.12 -0.05 0.00 0.00 0.00 0.00 23.12 21.84 2hfe s ALA 196 CO 0.01 -0.31 0.14 0.99 0.00 0.00 0.00 175.76 176.59 2hfe s THR 197 N 1.26 5.12 -0.01 0.00 2.01 -0.07 -1.39 115.64 122.55 2hfe s THR 197 Ca 0.03 0.10 -0.11 0.00 0.31 0.00 0.00 61.69 62.02 2hfe s THR 197 Cb -0.13 -3.39 0.01 0.00 0.01 0.00 0.00 72.50 69.00 2hfe s THR 197 CO -0.11 0.35 0.22 -2.28 -0.69 0.00 0.00 174.62 172.11 2hfe s HIS 198 N 1.15 -0.08 0.60 4.92 5.04 -1.26 -2.52 115.29 123.14 2hfe s HIS 198 Ca 0.07 0.10 0.29 0.00 -1.54 0.00 0.00 55.06 53.97 2hfe s HIS 198 Cb -0.14 0.03 1.31 0.00 0.04 0.00 0.00 32.58 33.82 2hfe s HIS 198 CO 0.05 -0.32 1.70 -0.22 -2.34 0.00 0.00 174.74 173.60 2hfe h LYS 199 N 4.18 0.00 0.00 2.88 3.64 -1.95 -1.31 116.57 124.01 2hfe h LYS 199 Ca -0.30 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.08 2hfe h LYS 199 Cb 1.19 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.01 2hfe h LYS 199 CO 0.40 0.00 0.00 0.25 -2.27 0.00 0.00 179.45 177.83 2hfe n THR 200 N -3.55 0.35 -3.69 1.00 -2.24 -1.26 -4.79 114.28 100.11 2hfe n THR 200 Ca 0.14 0.09 -0.11 0.00 -2.27 0.00 0.00 64.05 61.90 2hfe n THR 200 Cb 0.98 -0.73 -0.09 0.00 -2.10 0.00 0.00 70.33 68.39 2hfe n THR 200 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 2hfe s SER 201 N -2.62 -0.61 0.40 3.42 0.15 -0.49 -5.01 113.70 108.94 2hfe s SER 201 Ca 0.19 1.07 0.18 0.00 0.70 0.00 0.00 55.95 58.10 2hfe s SER 201 Cb 0.14 1.01 0.83 0.00 -1.71 0.00 0.00 66.02 66.29 2hfe s SER 201 CO 0.34 -0.20 1.82 0.71 1.20 0.00 0.00 173.24 177.11 2hfe h THR 202 N 4.91 0.95 -2.85 6.45 1.35 -1.86 -3.41 112.91 118.44 2hfe h THR 202 Ca -0.31 -1.28 -0.66 0.00 -0.55 0.00 0.00 66.41 63.60 2hfe h THR 202 Cb 1.19 1.75 -0.09 0.00 -1.73 0.00 0.00 68.15 69.27 2hfe h THR 202 CO 0.22 0.33 -0.51 -0.44 -0.25 0.00 0.00 175.52 174.87 2hfe s SER 203 N -6.54 6.16 0.45 5.36 0.01 -1.26 -5.06 113.70 112.83 2hfe s SER 203 Ca -0.01 0.37 -0.22 0.00 1.31 0.00 0.00 55.95 57.39 2hfe s SER 203 Cb 0.12 -1.98 -0.08 0.00 0.21 0.00 0.00 66.02 64.29 2hfe s SER 203 CO 0.68 0.36 1.09 -2.16 0.41 0.00 0.00 173.24 173.63 2hfe s PRO 204 N -0.75 3.86 -0.24 12.44 0.04 -1.26 -4.87 135.00 144.23 2hfe s PRO 204 Ca 0.13 1.57 -0.18 0.00 0.04 0.00 0.00 61.00 62.57 2hfe s PRO 204 Cb -0.12 -2.34 -0.03 0.00 0.04 0.00 0.00 34.50 32.05 2hfe s PRO 204 CO 0.03 -0.42 0.50 0.42 0.04 0.00 0.00 177.00 177.57 2hfe s ILE 205 N -1.70 5.09 0.16 0.56 1.01 -0.49 -4.84 121.20 120.99 2hfe s ILE 205 Ca 0.63 0.88 0.11 0.00 0.00 0.00 0.00 60.65 62.27 2hfe s ILE 205 Cb -0.23 -3.82 -0.04 0.00 0.01 0.00 0.00 42.46 38.38 2hfe s ILE 205 CO 0.28 0.12 -0.25 0.68 0.00 0.00 0.00 174.94 175.77 2hfe s VAL 206 N 2.07 2.27 -0.02 2.92 -7.23 -1.26 -0.03 120.40 119.12 2hfe s VAL 206 Ca 0.21 -1.90 -0.01 0.00 -1.81 0.00 0.00 61.98 58.48 2hfe s VAL 206 Cb -0.16 -2.04 0.03 0.00 0.56 0.00 0.00 36.38 34.77 2hfe s VAL 206 CO 0.09 -0.04 0.05 -0.54 -0.31 0.00 0.00 175.10 174.35 2hfe s LYS 207 N -2.40 -0.01 0.25 4.82 -0.14 0.39 -5.00 119.74 117.66 2hfe s LYS 207 Ca 0.17 0.19 0.01 0.00 -1.36 0.00 0.00 55.97 54.98 2hfe s LYS 207 Cb -0.09 -0.19 -0.04 0.00 -1.68 0.00 0.00 37.83 35.83 2hfe s LYS 207 CO 0.08 -0.14 0.12 -1.12 -0.76 0.00 0.00 175.35 173.54 2hfe s SER 208 N 0.88 0.96 -0.19 2.83 0.01 -1.26 -0.37 113.70 116.57 2hfe s SER 208 Ca -0.07 -1.43 -0.27 0.00 1.31 0.00 0.00 55.95 55.49 2hfe s SER 208 Cb -0.10 0.28 0.07 0.00 0.21 0.00 0.00 66.02 66.48 2hfe s SER 208 CO -0.03 -0.80 0.73 0.72 0.41 0.00 0.00 173.24 174.27 2hfe s PHE 209 N -3.84 -0.72 -0.11 2.43 -0.12 -0.75 -5.00 117.98 109.87 2hfe s PHE 209 Ca 0.38 1.57 -0.00 0.00 -0.05 0.00 0.00 56.93 58.83 2hfe s PHE 209 Cb 0.07 0.33 -0.02 0.00 -0.63 0.00 0.00 43.02 42.76 2hfe s PHE 209 CO 0.14 -0.45 -0.10 -0.80 -0.05 0.00 0.00 175.22 173.96 2hfe s ASN 210 N -0.22 4.33 0.00 1.98 0.01 -1.25 -1.30 114.94 118.48 2hfe s ASN 210 Ca -0.04 -0.19 0.28 0.00 -0.71 0.00 0.00 52.86 52.20 2hfe s ASN 210 Cb -0.03 -1.43 1.67 0.00 0.41 0.00 0.00 41.25 41.87 2hfe s ASN 210 CO 0.04 0.24 2.01 -2.11 -1.51 0.00 0.00 177.10 175.77