#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1mio n ASP 3 N 0.00 0.00 -1.12 -1.43 5.68 -1.26 -4.87 116.55 113.56 1mio n ASP 3 Ca 0.00 0.00 0.00 0.00 -0.50 0.00 0.00 54.79 54.29 1mio n ASP 3 Cb 0.00 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 39.98 1mio n ASP 3 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1mio n ALA 4 N -3.00 -0.28 -2.65 2.12 0.00 -1.26 -4.95 120.51 110.50 1mio n ALA 4 Ca 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 53.44 53.03 1mio n ALA 4 Cb 0.00 -0.22 -0.05 0.00 0.00 0.00 0.00 19.45 19.17 1mio n ALA 4 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 1mio s THR 5 N -0.89 4.94 -0.10 0.00 2.01 -1.26 -5.03 115.64 115.31 1mio s THR 5 Ca 0.00 1.35 -0.35 0.00 0.31 0.00 0.00 61.69 62.99 1mio s THR 5 Cb 0.00 -4.02 -0.13 0.00 0.01 0.00 0.00 72.50 68.36 1mio s THR 5 CO 0.00 0.03 1.81 -0.81 -0.69 0.00 0.00 174.62 174.96 1mio n PRO 6 N 5.45 1.93 -0.20 4.92 -0.04 -1.26 -4.84 135.00 140.95 1mio n PRO 6 Ca 0.02 0.71 -0.04 0.00 -0.04 0.00 0.00 63.50 64.14 1mio n PRO 6 Cb 0.49 -2.51 0.06 0.00 -0.04 0.00 0.00 33.50 31.50 1mio n PRO 6 CO 0.00 0.00 0.00 -0.22 -0.04 0.00 0.00 175.50 175.24 1mio h LYS 7 N 8.32 0.67 -5.97 0.54 3.64 -1.95 -3.40 116.57 118.41 1mio h LYS 7 Ca -0.48 -0.04 -0.59 0.00 -1.27 0.00 0.00 60.65 58.27 1mio h LYS 7 Cb 1.28 -0.15 -0.00 0.00 -0.41 0.00 0.00 32.23 32.95 1mio h LYS 7 CO 0.94 0.44 1.50 -0.85 -2.27 0.00 0.00 179.45 179.21 1mio n GLU 8 N -4.76 1.91 -1.79 1.90 -0.00 -1.26 -4.61 120.64 112.03 1mio n GLU 8 Ca 0.06 0.51 -0.41 0.00 -0.00 0.00 0.00 57.16 57.31 1mio n GLU 8 Cb 0.10 -3.24 -0.01 0.00 -0.00 0.00 0.00 31.44 28.29 1mio n GLU 8 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.13 177.55 1mio s ILE 9 N 8.47 2.06 0.06 3.84 1.01 -1.26 -5.02 121.20 130.36 1mio s ILE 9 Ca 1.01 0.06 0.07 0.00 0.00 0.00 0.00 60.65 61.79 1mio s ILE 9 Cb -0.34 -3.04 -0.03 0.00 0.01 0.00 0.00 42.46 39.07 1mio s ILE 9 CO 0.35 0.01 -0.20 0.68 0.00 0.00 0.00 174.94 175.79 1mio s VAL 10 N -0.35 1.58 -0.14 2.92 -7.23 -1.26 -5.14 120.40 110.79 1mio s VAL 10 Ca 0.60 -1.24 -0.04 0.00 -1.81 0.00 0.00 61.98 59.49 1mio s VAL 10 Cb -0.47 -1.40 -0.03 0.00 0.56 0.00 0.00 36.38 35.04 1mio s VAL 10 CO 0.53 0.11 -0.02 -1.61 -0.31 0.00 0.00 175.10 173.80 1mio s GLU 11 N -1.34 3.55 -0.04 4.82 0.41 -1.26 -5.07 118.70 119.77 1mio s GLU 11 Ca 0.06 -0.48 0.06 0.00 -0.41 0.00 0.00 54.97 54.20 1mio s GLU 11 Cb -0.09 -2.92 -0.01 0.00 -1.78 0.00 0.00 34.13 29.33 1mio s GLU 11 CO 0.02 0.35 -0.22 1.03 -0.49 0.00 0.00 175.26 175.94 1mio s ARG 12 N 0.09 2.16 -0.13 1.61 0.52 -1.26 -5.00 118.95 116.94 1mio s ARG 12 Ca 0.00 -0.81 -0.04 0.00 -0.52 0.00 0.00 55.73 54.37 1mio s ARG 12 Cb -0.13 -1.90 -0.25 0.00 0.52 0.00 0.00 34.95 33.18 1mio s ARG 12 CO 0.02 0.38 0.34 1.63 0.02 0.00 0.00 175.30 177.69 1mio n LYS 13 N 2.88 0.74 0.00 3.54 4.76 -1.26 -4.78 118.16 124.04 1mio n LYS 13 Ca -0.17 0.25 0.00 0.00 -2.87 0.00 0.00 58.31 55.52 1mio n LYS 13 Cb 0.52 -1.70 0.00 0.00 -1.84 0.00 0.00 35.03 32.01 1mio n LYS 13 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1mio n ALA 14 N -2.98 0.81 -2.60 7.82 0.00 -1.26 -5.00 120.51 117.30 1mio n ALA 14 Ca -0.32 0.00 -0.40 0.00 0.00 0.00 0.00 53.44 52.72 1mio n ALA 14 Cb 1.04 0.00 -0.08 0.00 0.00 0.00 0.00 19.45 20.41 1mio n ALA 14 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 1mio s LEU 15 N -1.18 4.10 -0.22 0.00 2.96 -1.26 -4.99 118.68 118.09 1mio s LEU 15 Ca 0.00 0.35 -0.06 0.00 -0.22 0.00 0.00 54.13 54.20 1mio s LEU 15 Cb 0.00 -2.57 -0.03 0.00 0.50 0.00 0.00 46.19 44.09 1mio s LEU 15 CO 0.00 -0.29 0.04 -0.60 -1.32 0.00 0.00 176.35 174.19 1mio s ARG 16 N 2.25 3.71 -0.03 1.98 6.06 -1.26 -4.88 118.95 126.78 1mio s ARG 16 Ca 0.19 -0.46 0.05 0.00 -2.50 0.00 0.00 55.73 53.01 1mio s ARG 16 Cb -0.16 -3.21 -0.01 0.00 0.06 0.00 0.00 34.95 31.64 1mio s ARG 16 CO 0.10 -0.01 -0.19 0.42 -2.50 0.00 0.00 175.30 173.12 1mio s ILE 17 N 1.11 1.55 -0.91 4.11 1.01 -1.26 -4.90 121.20 121.91 1mio s ILE 17 Ca 0.04 -0.81 -0.08 0.00 0.00 0.00 0.00 60.65 59.80 1mio s ILE 17 Cb -0.14 -1.31 0.00 0.00 0.01 0.00 0.00 42.46 41.02 1mio s ILE 17 CO 0.03 0.44 0.66 0.59 0.00 0.00 0.00 174.94 176.66 1mio n ASN 18 N 2.88 -5.38 -4.77 3.58 5.03 -1.26 -4.29 115.26 111.06 1mio n ASN 18 Ca -0.17 -0.86 -0.36 0.00 0.87 0.00 0.00 54.58 54.07 1mio n ASN 18 Cb 0.53 -2.59 -0.01 0.00 -1.02 0.00 0.00 39.78 36.69 1mio n ASN 18 CO 0.00 0.00 0.00 -2.16 -1.83 0.00 0.00 177.26 173.27 1mio s PRO 19 N -5.07 3.62 -0.61 3.52 0.04 -1.26 -1.20 135.00 134.05 1mio s PRO 19 Ca 0.14 1.68 -0.00 0.00 0.04 0.00 0.00 61.00 62.86 1mio s PRO 19 Cb -0.06 -2.25 0.44 0.00 0.04 0.00 0.00 34.50 32.67 1mio s PRO 19 CO 0.87 -0.64 1.85 0.00 0.04 0.00 0.00 177.00 179.12 1mio n ALA 20 N -0.80 6.08 -3.79 8.56 0.00 -1.26 -4.74 120.51 124.56 1mio n ALA 20 Ca 0.09 -3.63 -0.07 0.00 0.00 0.00 0.00 53.44 49.83 1mio n ALA 20 Cb 0.49 -1.49 -0.02 0.00 0.00 0.00 0.00 19.45 18.44 1mio n ALA 20 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 177.50 175.91 1mio s LYS 21 N -3.80 1.65 0.16 0.00 -2.85 -1.26 -2.70 119.74 110.93 1mio s LYS 21 Ca 0.61 -0.88 -0.01 0.00 -1.00 0.00 0.00 55.97 54.69 1mio s LYS 21 Cb 0.48 0.58 -0.04 0.00 -2.06 0.00 0.00 37.83 36.79 1mio s LYS 21 CO -0.05 -0.75 0.09 -0.08 0.10 0.00 0.00 175.35 174.67 1mio s THR 22 N -3.82 0.05 0.29 3.79 -1.32 -1.26 -5.07 115.64 108.31 1mio s THR 22 Ca 0.10 -1.95 -0.27 0.00 -1.21 0.00 0.00 61.69 58.36 1mio s THR 22 Cb -0.05 -2.26 -0.10 0.00 -1.51 0.00 0.00 72.50 68.59 1mio s THR 22 CO 0.04 -0.24 0.95 0.00 -2.21 0.00 0.00 174.62 173.16 1mio n GLN 24 N 0.89 -0.22 -0.39 0.00 6.02 -1.26 -3.02 117.38 119.41 1mio n GLN 24 Ca 0.01 0.95 0.34 0.00 -0.01 0.00 0.00 57.00 58.28 1mio n GLN 24 Cb 0.49 -1.40 0.61 0.00 1.02 0.00 0.00 30.24 30.96 1mio n GLN 24 CO 0.00 0.00 0.00 -1.00 -1.01 0.00 0.00 177.06 175.05 1mio h PRO 25 N 0.00 0.07 0.00 -1.09 0.13 -1.82 -1.39 132.00 127.90 1mio h PRO 25 Ca 0.15 -0.00 -0.07 0.00 -0.87 0.00 0.00 66.00 65.21 1mio h PRO 25 Cb 0.31 -0.02 -0.01 0.00 0.13 0.00 0.00 31.00 31.41 1mio h PRO 25 CO -0.60 0.05 -0.33 -0.24 -0.23 0.00 0.00 178.00 176.64 1mio h VAL 26 N 0.07 0.71 -0.21 1.56 3.04 -1.91 0.98 116.25 120.49 1mio h VAL 26 Ca 0.83 -1.52 -0.09 0.00 -1.01 0.00 0.00 66.70 64.91 1mio h VAL 26 Cb 2.37 1.99 -0.00 0.00 -2.01 0.00 0.00 31.29 33.64 1mio h VAL 26 CO -0.59 0.33 -0.21 1.23 -1.01 0.00 0.00 177.57 177.32 1mio h GLY 27 N 2.51 0.56 1.52 3.17 0.00 -1.38 -1.55 103.07 107.89 1mio h GLY 27 Ca -0.00 -0.57 -0.04 0.00 0.00 0.00 0.00 47.33 46.72 1mio h GLY 27 CO 0.04 0.51 0.08 0.00 0.00 0.00 0.00 176.54 177.18 1mio h ALA 28 N 0.66 1.38 -0.44 3.60 0.00 -1.35 -1.43 119.26 121.67 1mio h ALA 28 Ca 0.03 -0.17 -0.11 0.00 0.00 0.00 0.00 54.91 54.66 1mio h ALA 28 Cb 0.75 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.35 1mio h ALA 28 CO 0.05 0.44 -0.17 1.98 0.00 0.00 0.00 179.25 181.55 1mio h MET 29 N 0.59 0.85 0.05 0.00 -1.53 -0.69 -2.65 114.93 111.55 1mio h MET 29 Ca 0.13 -0.33 -0.00 0.00 -3.44 0.00 0.00 59.70 56.07 1mio h MET 29 Cb 0.25 -0.05 0.00 0.00 -0.55 0.00 0.00 31.60 31.26 1mio h MET 29 CO -0.00 0.96 -0.02 -0.92 0.14 0.00 0.00 176.91 177.07 1mio h TYR 30 N 0.75 -0.06 -0.55 1.39 3.20 -0.67 -1.99 116.97 119.04 1mio h TYR 30 Ca 0.11 -0.00 -0.03 0.00 3.14 0.00 0.00 58.73 61.95 1mio h TYR 30 Cb 0.70 0.02 -0.02 0.00 1.54 0.00 0.00 36.73 38.96 1mio h TYR 30 CO 0.04 0.14 0.23 0.00 -1.64 0.00 0.00 178.16 176.92 1mio h ALA 31 N 0.70 0.71 -0.71 1.82 0.00 -1.38 -2.78 119.26 117.62 1mio h ALA 31 Ca -0.01 -0.15 -0.03 0.00 0.00 0.00 0.00 54.91 54.72 1mio h ALA 31 Cb 0.22 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 17.76 1mio h ALA 31 CO 0.01 0.32 0.33 0.00 0.00 0.00 0.00 179.25 179.91 1mio h ALA 32 N 1.07 1.25 0.00 0.00 0.00 -1.42 0.28 119.26 120.44 1mio h ALA 32 Ca 0.18 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.95 1mio h ALA 32 Cb 0.18 -0.28 0.00 0.00 0.00 0.00 0.00 17.79 17.69 1mio h ALA 32 CO -0.02 0.57 0.00 1.28 0.00 0.00 0.00 179.25 181.09 1mio n LEU 33 N -4.33 0.00 -0.51 0.00 4.77 -0.76 -1.95 117.00 114.23 1mio n LEU 33 Ca 0.07 0.36 0.03 0.00 -0.03 0.00 0.00 56.01 56.44 1mio n LEU 33 Cb 0.14 -0.36 0.09 0.00 -2.33 0.00 0.00 43.42 40.96 1mio n LEU 33 CO 0.39 -0.27 0.52 0.61 -1.33 0.00 0.00 177.39 177.31 1mio n GLY 34 N -0.66 0.51 3.23 -0.72 0.00 0.98 -4.64 105.19 103.90 1mio n GLY 34 Ca 0.03 -0.21 -0.30 0.00 0.00 0.00 0.00 46.02 45.54 1mio n GLY 34 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1mio s ILE 35 N -1.65 1.85 0.16 -0.61 1.01 -0.83 -0.86 121.20 120.26 1mio s ILE 35 Ca 0.13 -0.96 -0.30 0.00 0.00 0.00 0.00 60.65 59.51 1mio s ILE 35 Cb 0.08 -1.56 -0.08 0.00 0.01 0.00 0.00 42.46 40.91 1mio s ILE 35 CO 0.07 0.52 1.29 -2.28 0.00 0.00 0.00 174.94 174.54 1mio s HIS 36 N -0.20 3.32 -1.37 3.97 5.65 0.01 -3.52 115.29 123.15 1mio s HIS 36 Ca -0.01 1.22 -0.09 0.00 0.25 0.00 0.00 55.06 56.43 1mio s HIS 36 Cb -0.12 -3.56 0.01 0.00 -1.18 0.00 0.00 32.58 27.74 1mio s HIS 36 CO 0.02 -1.76 1.17 0.09 -0.65 0.00 0.00 174.74 173.62 1mio n ASN 37 N 3.08 -6.17 -4.73 9.88 4.13 -1.26 -4.77 115.26 115.42 1mio n ASN 37 Ca 0.07 -0.56 -0.35 0.00 1.68 0.00 0.00 54.58 55.42 1mio n ASN 37 Cb 0.44 -4.97 -0.08 0.00 -1.54 0.00 0.00 39.78 33.63 1mio n ASN 37 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1mio s LEU 39 N -0.73 1.82 0.56 0.00 1.98 -0.24 -4.91 118.68 117.16 1mio s LEU 39 Ca 0.12 -0.88 -0.21 0.00 -2.89 0.00 0.00 54.13 50.27 1mio s LEU 39 Cb -0.12 -0.91 -0.04 0.00 0.66 0.00 0.00 46.19 45.78 1mio s LEU 39 CO 0.03 -0.23 1.33 -2.16 -1.89 0.00 0.00 176.35 173.42 1mio s PRO 40 N 1.61 3.06 -0.14 0.98 0.04 -1.26 -3.19 135.00 136.10 1mio s PRO 40 Ca -0.02 2.17 0.01 0.00 0.04 0.00 0.00 61.00 63.19 1mio s PRO 40 Cb -0.17 -2.18 0.02 0.00 0.04 0.00 0.00 34.50 32.22 1mio s PRO 40 CO -0.07 -1.23 -0.14 -1.58 0.04 0.00 0.00 177.00 174.01 1mio s HIS 41 N -1.34 2.10 -0.15 0.56 2.46 -0.07 -1.42 115.29 117.42 1mio s HIS 41 Ca 0.73 -1.14 -0.27 0.00 0.47 0.00 0.00 55.06 54.85 1mio s HIS 41 Cb -0.39 -1.55 -0.01 0.00 -0.13 0.00 0.00 32.58 30.50 1mio s HIS 41 CO 0.45 -0.63 0.91 -1.12 -2.47 0.00 0.00 174.74 171.89 1mio s SER 42 N 1.41 7.07 -0.57 9.88 0.01 -0.35 -1.93 113.70 129.22 1mio s SER 42 Ca 0.03 1.32 -0.08 0.00 1.31 0.00 0.00 55.95 58.52 1mio s SER 42 Cb -0.13 -2.50 0.15 0.00 0.21 0.00 0.00 66.02 63.75 1mio s SER 42 CO -0.09 -0.44 0.43 -2.28 0.41 0.00 0.00 173.24 171.27 1mio s HIS 43 N 2.22 3.49 -2.32 2.43 2.46 0.78 -2.30 115.29 122.05 1mio s HIS 43 Ca 0.42 -2.14 0.00 0.00 0.47 0.00 0.00 55.06 53.81 1mio s HIS 43 Cb -0.17 -3.46 0.00 0.00 -0.13 0.00 0.00 32.58 28.82 1mio s HIS 43 CO 0.13 -0.95 0.00 0.41 -2.47 0.00 0.00 174.74 171.86 1mio n GLY 44 N 4.37 -0.79 3.59 1.59 0.00 -1.26 -3.24 105.19 109.45 1mio n GLY 44 Ca 0.00 -0.89 -0.30 0.00 0.00 0.00 0.00 46.02 44.83 1mio n GLY 44 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1mio s SER 45 N -4.00 2.02 0.00 1.61 0.15 -1.26 -3.22 113.70 109.00 1mio s SER 45 Ca 0.00 1.94 0.28 0.00 0.70 0.00 0.00 55.95 58.88 1mio s SER 45 Cb 0.00 -2.48 1.15 0.00 -1.71 0.00 0.00 66.02 62.98 1mio s SER 45 CO 0.00 -3.62 1.84 0.00 1.20 0.00 0.00 173.24 172.66 1mio n GLN 46 N -4.56 0.25 -0.05 5.44 10.64 -1.26 -3.66 117.38 124.17 1mio n GLN 46 Ca 0.08 -0.06 -0.11 0.00 -1.83 0.00 0.00 57.00 55.08 1mio n GLN 46 Cb 0.53 -1.50 -0.05 0.00 -0.86 0.00 0.00 30.24 28.36 1mio n GLN 46 CO 0.00 0.00 0.00 0.78 -1.83 0.00 0.00 177.06 176.01 1mio h GLY 47 N 4.99 0.31 1.62 2.61 0.00 -1.96 -2.90 103.07 107.74 1mio h GLY 47 Ca 0.00 -0.17 0.02 0.00 0.00 0.00 0.00 47.33 47.17 1mio h GLY 47 CO 0.00 0.16 0.17 0.00 0.00 0.00 0.00 176.54 176.87 1mio h SER 50 N -0.18 -0.16 -0.40 0.00 4.64 -1.33 -1.56 113.55 114.55 1mio h SER 50 Ca -0.20 -0.22 0.08 0.00 -0.47 0.00 0.00 61.79 60.99 1mio h SER 50 Cb 1.84 0.04 -0.09 0.00 -0.31 0.00 0.00 62.40 63.89 1mio h SER 50 CO 0.19 0.14 -0.20 1.88 -0.87 0.00 0.00 176.83 177.97 1mio h TYR 51 N -0.46 -0.49 -0.15 4.77 0.05 -1.63 0.08 116.97 119.14 1mio h TYR 51 Ca -0.02 0.05 -0.22 0.00 0.05 0.00 0.00 58.73 58.59 1mio h TYR 51 Cb 0.37 0.28 0.01 0.00 1.01 0.00 0.00 36.73 38.40 1mio h TYR 51 CO 0.02 -0.28 -0.78 0.45 -1.05 0.00 0.00 178.16 176.52 1mio h HIS 52 N -0.12 1.03 -0.48 4.88 3.86 -1.51 -1.99 115.15 120.82 1mio h HIS 52 Ca 0.20 -0.46 -0.12 0.00 -1.16 0.00 0.00 60.37 58.83 1mio h HIS 52 Cb 0.43 -0.16 -0.02 0.00 1.06 0.00 0.00 27.41 28.72 1mio h HIS 52 CO -0.44 1.28 -0.17 0.00 0.86 0.00 0.00 177.93 179.47 1mio h ARG 53 N 0.52 0.95 -0.42 2.45 3.08 -1.22 -2.04 114.38 117.70 1mio h ARG 53 Ca -0.05 -0.37 -0.00 0.00 0.07 0.00 0.00 59.98 59.62 1mio h ARG 53 Cb 1.40 -0.05 -0.02 0.00 0.08 0.00 0.00 29.97 31.38 1mio h ARG 53 CO 0.16 1.04 0.25 1.15 -1.07 0.00 0.00 179.97 181.50 1mio h THR 54 N 0.83 1.13 -0.53 2.04 2.02 -0.80 -0.65 112.91 116.94 1mio h THR 54 Ca 0.12 -0.31 -0.02 0.00 0.77 0.00 0.00 66.41 66.97 1mio h THR 54 Cb 0.72 0.58 -0.02 0.00 -1.74 0.00 0.00 68.15 67.69 1mio h THR 54 CO 0.06 0.14 0.27 1.62 0.37 0.00 0.00 175.52 177.97 1mio h VAL 55 N 0.55 1.19 -0.43 3.16 3.04 -1.33 -2.15 116.25 120.29 1mio h VAL 55 Ca 0.15 -0.53 -0.00 0.00 -1.01 0.00 0.00 66.70 65.30 1mio h VAL 55 Cb 0.00 0.56 -0.02 0.00 -2.01 0.00 0.00 31.29 29.82 1mio h VAL 55 CO -0.03 0.22 0.25 -0.07 -1.01 0.00 0.00 177.57 176.93 1mio h LEU 56 N 0.72 0.52 -0.32 3.16 4.07 -1.19 -1.17 115.31 121.09 1mio h LEU 56 Ca 0.19 -0.06 0.01 0.00 0.08 0.00 0.00 57.88 58.10 1mio h LEU 56 Cb 0.10 -0.13 -0.02 0.00 1.08 0.00 0.00 40.66 41.68 1mio h LEU 56 CO -0.03 0.43 0.18 0.28 -1.08 0.00 0.00 178.44 178.23 1mio h SER 57 N 0.56 0.29 -0.40 -0.43 0.02 -1.03 -2.03 113.55 110.54 1mio h SER 57 Ca 0.15 0.00 0.02 0.00 -0.84 0.00 0.00 61.79 61.13 1mio h SER 57 Cb 0.01 -0.06 -0.03 0.00 0.14 0.00 0.00 62.40 62.47 1mio h SER 57 CO -0.03 0.21 0.23 0.03 -1.14 0.00 0.00 176.83 176.13 1mio h ARG 58 N 0.37 0.45 -0.21 3.45 3.08 -1.20 0.90 114.38 121.22 1mio h ARG 58 Ca 0.13 -0.03 -0.14 0.00 0.07 0.00 0.00 59.98 60.01 1mio h ARG 58 Cb 0.01 -0.10 -0.01 0.00 0.08 0.00 0.00 29.97 29.95 1mio h ARG 58 CO -0.06 0.30 -0.45 1.25 -1.07 0.00 0.00 179.97 179.93 1mio h HIS 59 N 0.46 0.65 -0.02 3.04 2.76 -1.16 -3.36 115.15 117.52 1mio h HIS 59 Ca 0.16 -0.20 0.00 0.00 -2.20 0.00 0.00 60.37 58.13 1mio h HIS 59 Cb 0.02 -0.13 0.00 0.00 1.55 0.00 0.00 27.41 28.85 1mio h HIS 59 CO -0.08 0.90 -0.09 1.19 -1.30 0.00 0.00 177.93 178.55 1mio n PHE 60 N -4.00 0.00 -3.94 5.26 3.01 -0.77 -4.71 117.46 112.31 1mio n PHE 60 Ca -0.02 0.00 -0.32 0.00 1.01 0.00 0.00 57.45 58.12 1mio n PHE 60 Cb 0.54 0.00 -0.00 0.00 -0.01 0.00 0.00 39.48 40.01 1mio n PHE 60 CO 0.00 0.00 0.00 1.63 1.01 0.00 0.00 176.76 179.40 1mio n LYS 61 N 0.67 -1.77 -4.05 -1.08 4.76 0.31 -4.86 118.16 112.15 1mio n LYS 61 Ca 0.09 0.32 -0.10 0.00 -2.87 0.00 0.00 58.31 55.75 1mio n LYS 61 Cb 0.41 -3.89 -0.07 0.00 -1.84 0.00 0.00 35.03 29.64 1mio n LYS 61 CO 0.00 0.00 0.00 -2.00 -1.37 0.00 0.00 177.40 174.03 1mio s GLU 62 N -6.65 1.42 -0.12 1.97 2.56 -1.12 -5.05 118.70 111.71 1mio s GLU 62 Ca 0.25 -1.34 -0.15 0.00 0.00 0.00 0.00 54.97 53.73 1mio s GLU 62 Cb -0.11 0.41 -0.05 0.00 2.00 0.00 0.00 34.13 36.39 1mio s GLU 62 CO 0.91 -0.56 0.36 -2.14 -0.56 0.00 0.00 175.26 173.27 1mio s PRO 63 N -4.05 4.19 -0.08 4.30 0.02 -1.26 -4.07 135.00 134.05 1mio s PRO 63 Ca 0.26 0.24 0.01 0.00 0.02 0.00 0.00 61.00 61.53 1mio s PRO 63 Cb 0.02 -3.38 -0.03 0.00 0.02 0.00 0.00 34.50 31.13 1mio s PRO 63 CO 0.09 0.32 -0.08 0.00 -0.33 0.00 0.00 177.00 177.00 1mio s ALA 64 N 0.18 2.92 -0.10 -1.55 0.00 -1.26 -4.94 121.76 117.01 1mio s ALA 64 Ca 0.20 -0.89 0.01 0.00 0.00 0.00 0.00 51.96 51.28 1mio s ALA 64 Cb -0.14 -1.24 0.02 0.00 0.00 0.00 0.00 23.12 21.76 1mio s ALA 64 CO 0.07 0.51 -0.12 1.41 0.00 0.00 0.00 175.76 177.63 1mio s MET 65 N -0.58 1.91 0.14 0.00 1.75 -1.26 -4.92 119.30 116.33 1mio s MET 65 Ca 0.09 -0.44 -0.17 0.00 -1.25 0.00 0.00 55.69 53.92 1mio s MET 65 Cb -0.12 -1.71 0.04 0.00 2.84 0.00 0.00 34.83 35.88 1mio s MET 65 CO 0.02 -0.12 0.43 0.00 -0.65 0.00 0.00 175.02 174.70 1mio s ALA 66 N 1.17 -0.99 0.29 4.11 0.00 -1.26 -4.25 121.76 120.82 1mio s ALA 66 Ca -0.04 -0.02 0.12 0.00 0.00 0.00 0.00 51.96 52.02 1mio s ALA 66 Cb -0.14 0.74 -0.05 0.00 0.00 0.00 0.00 23.12 23.66 1mio s ALA 66 CO -0.03 -0.68 -0.19 -1.54 0.00 0.00 0.00 175.76 173.33 1mio s SER 67 N -2.81 3.60 0.11 0.00 1.04 -0.51 -4.99 113.70 110.15 1mio s SER 67 Ca 0.04 -1.05 0.08 0.00 0.48 0.00 0.00 55.95 55.49 1mio s SER 67 Cb 0.01 -0.31 -0.04 0.00 0.10 0.00 0.00 66.02 65.79 1mio s SER 67 CO -0.11 0.01 -0.19 0.42 0.98 0.00 0.00 173.24 174.35 1mio s THR 68 N -2.52 1.61 -1.39 2.02 -4.23 -1.26 -1.21 115.64 108.66 1mio s THR 68 Ca 0.30 -1.58 -0.15 0.00 -1.18 0.00 0.00 61.69 59.08 1mio s THR 68 Cb -0.04 -1.53 0.07 0.00 1.34 0.00 0.00 72.50 72.34 1mio s THR 68 CO 0.15 -0.15 2.02 -1.20 -0.54 0.00 0.00 174.62 174.90 1mio n SER 69 N 0.94 4.35 -3.03 3.99 7.64 -0.97 -4.82 113.62 121.72 1mio n SER 69 Ca -0.18 -2.90 0.00 0.00 1.01 0.00 0.00 58.87 56.80 1mio n SER 69 Cb 0.54 -1.66 0.00 0.00 -1.01 0.00 0.00 64.21 62.08 1mio n SER 69 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 1mio n SER 70 N 6.45 0.00 -4.51 6.43 7.64 -1.26 -4.30 113.62 124.07 1mio n SER 70 Ca 0.49 -0.57 -0.57 0.00 1.01 0.00 0.00 58.87 59.24 1mio n SER 70 Cb 0.41 -0.04 -0.07 0.00 -1.01 0.00 0.00 64.21 63.49 1mio n SER 70 CO 0.00 0.00 0.00 0.49 -3.01 0.00 0.00 175.04 172.52 1mio n PHE 71 N 2.32 0.67 -3.72 1.43 3.01 -1.20 -4.53 117.46 115.45 1mio n PHE 71 Ca 0.00 0.99 -0.25 0.00 1.01 0.00 0.00 57.45 59.21 1mio n PHE 71 Cb 0.00 -2.11 0.00 0.00 -0.01 0.00 0.00 39.48 37.36 1mio n PHE 71 CO 0.00 0.00 0.00 0.95 1.01 0.00 0.00 176.76 178.72 1mio s THR 72 N -0.03 1.85 0.23 4.37 -4.23 -1.26 -4.55 115.64 112.02 1mio s THR 72 Ca 0.88 -1.40 -0.01 0.00 -1.18 0.00 0.00 61.69 59.98 1mio s THR 72 Cb -1.19 -2.25 0.33 0.00 1.34 0.00 0.00 72.50 70.73 1mio s THR 72 CO 0.56 0.00 1.18 -0.62 -0.54 0.00 0.00 174.62 175.19 1mio n GLU 73 N -1.81 -0.06 0.17 3.99 -0.58 -1.26 -1.62 120.64 119.47 1mio n GLU 73 Ca 0.02 1.14 0.02 0.00 -0.42 0.00 0.00 57.16 57.92 1mio n GLU 73 Cb 0.64 -1.78 0.33 0.00 -0.57 0.00 0.00 31.44 30.06 1mio n GLU 73 CO 0.00 0.00 0.00 0.78 -0.48 0.00 0.00 177.13 177.43 1mio h GLY 74 N 0.00 0.02 2.00 0.62 0.00 -1.98 -3.07 103.07 100.66 1mio h GLY 74 Ca 0.43 -0.02 -0.00 0.00 0.00 0.00 0.00 47.33 47.74 1mio h GLY 74 CO -0.73 0.01 -0.02 0.00 0.00 0.00 0.00 176.54 175.80 1mio h ALA 75 N 1.59 1.02 0.00 3.60 0.00 -1.51 0.19 119.26 124.15 1mio h ALA 75 Ca -0.00 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.89 1mio h ALA 75 Cb 0.71 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.49 1mio h ALA 75 CO 0.05 0.03 0.00 0.77 0.00 0.00 0.00 179.25 180.10 1mio h SER 76 N 0.00 0.00 0.00 0.00 0.02 -1.67 0.18 113.55 112.08 1mio h SER 76 Ca -0.00 0.00 -0.28 0.00 -0.84 0.00 0.00 61.79 60.67 1mio h SER 76 Cb 0.41 0.00 -0.04 0.00 0.14 0.00 0.00 62.40 62.90 1mio h SER 76 CO 0.00 0.00 -1.97 0.52 -1.14 0.00 0.00 176.83 174.25 1mio n VAL 77 N -2.89 0.95 -2.11 2.27 0.31 -0.22 -4.81 118.33 111.83 1mio n VAL 77 Ca -0.01 -0.27 -0.27 0.00 -0.01 0.00 0.00 64.34 63.78 1mio n VAL 77 Cb 0.15 -1.60 0.02 0.00 -0.91 0.00 0.00 33.84 31.49 1mio n VAL 77 CO 0.00 0.00 0.00 2.22 -1.32 0.00 0.00 176.83 177.73 1mio n PHE 78 N -3.62 3.03 -4.58 3.52 -1.74 0.49 -5.10 117.46 109.46 1mio n PHE 78 Ca -0.33 -2.59 0.00 0.00 -0.56 0.00 0.00 57.45 53.96 1mio n PHE 78 Cb 0.76 -0.39 0.00 0.00 1.52 0.00 0.00 39.48 41.37 1mio n PHE 78 CO 0.00 0.00 0.00 0.41 -0.56 0.00 0.00 176.76 176.61 1mio n GLY 79 N -0.64 0.40 0.49 4.97 0.00 0.63 -4.44 105.19 106.59 1mio n GLY 79 Ca 0.44 -0.86 0.06 0.00 0.00 0.00 0.00 46.02 45.67 1mio n GLY 79 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1mio n GLY 80 N 0.00 3.36 0.50 -0.02 0.00 -1.26 -4.39 105.19 103.38 1mio n GLY 80 Ca 0.00 -0.87 -0.20 0.00 0.00 0.00 0.00 46.02 44.96 1mio n GLY 80 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1mio h GLY 81 N 0.37 -1.30 0.57 -0.02 0.00 -1.98 -2.54 103.07 98.16 1mio h GLY 81 Ca -0.03 0.48 0.09 0.00 0.00 0.00 0.00 47.33 47.87 1mio h GLY 81 CO 0.01 -0.47 0.49 1.48 0.00 0.00 0.00 176.54 178.05 1mio h SER 82 N -1.29 0.72 -0.20 0.19 4.64 -1.87 -2.66 113.55 113.09 1mio h SER 82 Ca -0.13 0.04 0.00 0.00 -0.47 0.00 0.00 61.79 61.23 1mio h SER 82 Cb 0.96 -0.10 -0.01 0.00 -0.31 0.00 0.00 62.40 62.94 1mio h SER 82 CO 0.21 0.42 0.13 0.78 -0.87 0.00 0.00 176.83 177.50 1mio h ASN 83 N 0.84 0.23 0.43 4.97 2.35 -1.85 -2.39 115.58 120.15 1mio h ASN 83 Ca 0.40 -0.01 -0.19 0.00 -0.55 0.00 0.00 56.30 55.94 1mio h ASN 83 Cb 0.33 -0.06 -0.01 0.00 0.05 0.00 0.00 38.32 38.63 1mio h ASN 83 CO -0.23 0.17 -0.81 0.16 -1.65 0.00 0.00 177.43 175.07 1mio h ILE 84 N 0.26 1.43 -0.03 2.81 -0.00 -1.35 -1.33 117.51 119.30 1mio h ILE 84 Ca 0.07 -2.38 0.04 0.00 -0.00 0.00 0.00 64.86 62.59 1mio h ILE 84 Cb -0.02 2.30 -0.05 0.00 -0.00 0.00 0.00 36.82 39.05 1mio h ILE 84 CO -0.02 0.70 -0.32 0.11 -0.00 0.00 0.00 178.15 178.62 1mio h LYS 85 N 0.18 -0.44 -0.50 0.16 1.79 -1.40 0.13 116.57 116.49 1mio h LYS 85 Ca -0.04 0.03 0.01 0.00 -2.18 0.00 0.00 60.65 58.47 1mio h LYS 85 Cb 1.41 0.10 -0.03 0.00 -1.58 0.00 0.00 32.23 32.13 1mio h LYS 85 CO 0.13 -0.29 0.32 1.15 -1.08 0.00 0.00 179.45 179.68 1mio h THR 86 N -0.46 1.12 -0.80 -0.16 2.02 -1.45 -2.74 112.91 110.43 1mio h THR 86 Ca 0.07 -0.23 0.09 0.00 0.77 0.00 0.00 66.41 67.11 1mio h THR 86 Cb 0.56 0.40 -0.07 0.00 -1.74 0.00 0.00 68.15 67.30 1mio h THR 86 CO -0.29 0.12 0.45 0.00 0.37 0.00 0.00 175.52 176.17 1mio h ALA 87 N 1.19 1.13 -0.26 6.16 0.00 -0.58 -1.07 119.26 125.83 1mio h ALA 87 Ca 0.18 0.03 -0.09 0.00 0.00 0.00 0.00 54.91 55.04 1mio h ALA 87 Cb -0.06 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.59 1mio h ALA 87 CO -0.05 0.07 -0.23 0.28 0.00 0.00 0.00 179.25 179.33 1mio h VAL 88 N 0.76 1.26 -0.09 0.00 2.07 -0.48 -1.60 116.25 118.17 1mio h VAL 88 Ca 0.38 -1.23 -0.18 0.00 0.82 0.00 0.00 66.70 66.50 1mio h VAL 88 Cb 0.35 1.31 0.01 0.00 -1.52 0.00 0.00 31.29 31.44 1mio h VAL 88 CO -0.25 0.39 -0.65 0.11 0.02 0.00 0.00 177.57 177.20 1mio h LYS 89 N 0.44 0.60 0.00 1.57 1.57 -0.97 -0.90 116.57 118.89 1mio h LYS 89 Ca 0.07 -0.52 -0.06 0.00 -1.87 0.00 0.00 60.65 58.26 1mio h LYS 89 Cb 0.64 0.12 -0.01 0.00 0.08 0.00 0.00 32.23 33.06 1mio h LYS 89 CO 0.05 1.15 -0.30 -0.91 -0.57 0.00 0.00 179.45 178.86 1mio h ASN 90 N 0.24 0.00 0.00 0.86 -0.26 -1.19 -2.05 115.58 113.18 1mio h ASN 90 Ca -0.05 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 55.69 1mio h ASN 90 Cb 1.30 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 38.56 1mio h ASN 90 CO 0.13 0.30 0.00 -0.38 -1.06 0.00 0.00 177.43 176.43 1mio n ILE 91 N -3.58 0.00 -0.35 2.81 5.41 -0.61 -2.06 119.36 120.98 1mio n ILE 91 Ca -0.01 0.96 0.15 0.00 1.00 0.00 0.00 62.75 64.85 1mio n ILE 91 Cb 0.44 -1.82 0.35 0.00 -0.71 0.00 0.00 39.64 37.89 1mio n ILE 91 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 176.55 176.29 1mio h PHE 92 N 0.00 1.05 -0.03 1.39 0.04 -1.24 0.50 116.94 118.65 1mio h PHE 92 Ca 0.00 0.03 0.02 0.00 2.80 0.00 0.00 57.97 60.82 1mio h PHE 92 Cb 0.00 -0.31 -0.02 0.00 2.20 0.00 0.00 35.95 37.82 1mio h PHE 92 CO 0.09 0.18 -0.07 0.66 -0.60 0.00 0.00 178.31 178.57 1mio h SER 93 N 0.70 -0.22 0.17 2.17 4.64 -1.48 -3.36 113.55 116.17 1mio h SER 93 Ca 0.60 0.04 -0.36 0.00 -0.47 0.00 0.00 61.79 61.60 1mio h SER 93 Cb 1.01 0.10 -0.04 0.00 -0.31 0.00 0.00 62.40 63.17 1mio h SER 93 CO -0.41 -0.11 -2.06 0.18 -0.87 0.00 0.00 176.83 173.57 1mio n LEU 94 N -5.20 2.15 -3.42 5.97 4.77 -0.14 -4.85 117.00 116.29 1mio n LEU 94 Ca -0.05 0.17 -0.19 0.00 -0.03 0.00 0.00 56.01 55.91 1mio n LEU 94 Cb 0.12 -0.70 -0.10 0.00 -2.33 0.00 0.00 43.42 40.41 1mio n LEU 94 CO 0.29 0.75 -0.20 -0.31 -1.33 0.00 0.00 177.39 176.59 1mio s TYR 95 N -2.55 -0.28 -0.39 -1.77 1.51 -0.02 -5.08 117.35 108.77 1mio s TYR 95 Ca -0.20 -0.43 -0.14 0.00 -1.01 0.00 0.00 57.07 55.29 1mio s TYR 95 Cb 0.07 -0.53 0.01 0.00 -0.11 0.00 0.00 41.96 41.40 1mio s TYR 95 CO 0.75 -0.91 0.27 0.54 -1.11 0.00 0.00 175.55 175.09 1mio s ASN 96 N 2.14 6.03 0.86 2.29 2.20 -1.26 -4.12 114.94 123.09 1mio s ASN 96 Ca 0.11 -0.80 -0.11 0.00 -0.94 0.00 0.00 52.86 51.12 1mio s ASN 96 Cb -0.15 -2.13 0.11 0.00 -2.00 0.00 0.00 41.25 37.08 1mio s ASN 96 CO -0.28 -0.39 1.09 -2.84 -2.94 0.00 0.00 177.10 171.75 1mio s PRO 97 N 1.67 1.52 0.08 3.55 0.02 -1.26 -4.94 135.00 135.65 1mio s PRO 97 Ca 0.05 0.91 0.07 0.00 0.02 0.00 0.00 61.00 62.05 1mio s PRO 97 Cb -0.19 -1.83 -0.22 0.00 0.02 0.00 0.00 34.50 32.28 1mio s PRO 97 CO 0.10 -2.08 1.13 -0.44 -0.33 0.00 0.00 177.00 175.37 1mio h ASP 98 N -1.44 0.04 -3.45 2.53 5.19 -0.13 -3.46 116.42 115.70 1mio h ASP 98 Ca -0.48 -0.05 -0.40 0.00 -0.62 0.00 0.00 57.03 55.48 1mio h ASP 98 Cb 1.27 -0.01 -0.34 0.00 0.18 0.00 0.00 39.33 40.43 1mio h ASP 98 CO 0.54 1.04 -0.77 -0.51 -3.12 0.00 0.00 179.24 176.42 1mio s ILE 99 N -2.68 0.50 -0.33 0.35 2.07 -0.33 -1.69 121.20 119.10 1mio s ILE 99 Ca -0.01 -0.09 -0.17 0.00 -1.41 0.00 0.00 60.65 58.97 1mio s ILE 99 Cb 0.09 -0.54 -0.01 0.00 0.13 0.00 0.00 42.46 42.13 1mio s ILE 99 CO 0.83 0.22 0.45 -0.63 -1.91 0.00 0.00 174.94 173.90 1mio s ILE 100 N 0.97 5.09 -0.27 2.00 -1.09 -0.71 -1.08 121.20 126.11 1mio s ILE 100 Ca -0.10 0.36 -0.10 0.00 -2.23 0.00 0.00 60.65 58.58 1mio s ILE 100 Cb -0.14 -3.87 -0.04 0.00 -1.58 0.00 0.00 42.46 36.83 1mio s ILE 100 CO -0.00 -0.09 0.14 0.00 -1.23 0.00 0.00 174.94 173.76 1mio s ALA 101 N 2.23 3.37 0.02 9.38 0.00 -1.19 -1.39 121.76 134.18 1mio s ALA 101 Ca 0.17 -1.15 0.03 0.00 0.00 0.00 0.00 51.96 51.01 1mio s ALA 101 Cb -0.16 -2.33 -0.04 0.00 0.00 0.00 0.00 23.12 20.60 1mio s ALA 101 CO 0.12 -0.58 -0.05 0.08 0.00 0.00 0.00 175.76 175.33 1mio s VAL 102 N 1.69 3.74 0.13 0.00 1.01 0.29 -0.89 120.40 126.37 1mio s VAL 102 Ca 0.07 -0.81 -0.06 0.00 0.00 0.00 0.00 61.98 61.17 1mio s VAL 102 Cb -0.16 -2.66 -0.02 0.00 0.00 0.00 0.00 36.38 33.54 1mio s VAL 102 CO 0.08 0.34 0.18 -1.38 0.00 0.00 0.00 175.10 174.32 1mio s HIS 103 N -1.06 0.44 0.50 5.22 -3.43 -0.81 0.32 115.29 116.46 1mio s HIS 103 Ca 0.19 -0.84 0.04 0.00 -0.80 0.00 0.00 55.06 53.64 1mio s HIS 103 Cb -0.11 -0.18 0.04 0.00 -1.43 0.00 0.00 32.58 30.90 1mio s HIS 103 CO 0.10 -0.60 0.35 0.25 -2.00 0.00 0.00 174.74 172.83 1mio n THR 104 N -0.12 0.00 -2.64 -5.38 -2.24 -1.26 -0.15 114.28 102.50 1mio n THR 104 Ca -0.10 -1.99 0.00 0.00 -2.27 0.00 0.00 64.05 59.69 1mio n THR 104 Cb 0.63 -0.03 0.00 0.00 -2.10 0.00 0.00 70.33 68.82 1mio n THR 104 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 1mio n THR 105 N -1.63 0.00 0.20 4.28 -2.24 -1.20 -4.42 114.28 109.26 1mio n THR 105 Ca -0.03 0.00 -0.15 0.00 -2.27 0.00 0.00 64.05 61.60 1mio n THR 105 Cb 0.57 0.00 -0.08 0.00 -2.10 0.00 0.00 70.33 68.72 1mio n THR 105 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1mio h LEU 107 N -0.62 -0.14 -0.94 0.00 3.38 -1.98 0.16 115.31 115.17 1mio h LEU 107 Ca -0.05 0.02 0.20 0.00 0.09 0.00 0.00 57.88 58.14 1mio h LEU 107 Cb 0.45 0.06 -0.11 0.00 0.09 0.00 0.00 40.66 41.14 1mio h LEU 107 CO 0.08 -0.03 0.52 0.28 0.09 0.00 0.00 178.44 179.38 1mio h SER 108 N -0.02 0.59 -0.32 -0.43 0.02 -1.79 0.10 113.55 111.69 1mio h SER 108 Ca 0.01 0.12 -0.16 0.00 -0.84 0.00 0.00 61.79 60.92 1mio h SER 108 Cb 0.04 0.03 -0.01 0.00 0.14 0.00 0.00 62.40 62.61 1mio h SER 108 CO -0.05 0.15 -0.39 -0.33 -1.14 0.00 0.00 176.83 175.07 1mio h GLU 109 N 0.59 0.88 -0.19 3.45 4.39 -1.49 0.11 114.58 122.32 1mio h GLU 109 Ca 0.57 -0.46 -0.10 0.00 0.34 0.00 0.00 59.36 59.71 1mio h GLU 109 Cb 0.98 0.01 -0.00 0.00 -0.10 0.00 0.00 28.75 29.64 1mio h GLU 109 CO -0.44 1.10 -0.25 1.15 -1.16 0.00 0.00 179.01 179.41 1mio h THR 110 N 0.72 1.34 0.00 1.13 2.02 0.12 -3.10 112.91 115.14 1mio h THR 110 Ca 0.06 -1.46 0.00 0.00 0.77 0.00 0.00 66.41 65.78 1mio h THR 110 Cb 0.97 1.83 0.00 0.00 -1.74 0.00 0.00 68.15 69.21 1mio h THR 110 CO 0.09 0.44 0.00 0.18 0.37 0.00 0.00 175.52 176.61 1mio n LEU 111 N -4.39 0.00 -0.43 2.58 4.77 0.28 -4.92 117.00 114.88 1mio n LEU 111 Ca -0.06 0.50 -0.02 0.00 -0.03 0.00 0.00 56.01 56.40 1mio n LEU 111 Cb 0.44 -0.50 0.00 0.00 -2.33 0.00 0.00 43.42 41.04 1mio n LEU 111 CO 0.42 -0.19 -0.01 0.61 -1.33 0.00 0.00 177.39 176.90 1mio n GLY 112 N 0.37 0.46 3.67 -0.72 0.00 -0.85 -4.97 105.19 103.15 1mio n GLY 112 Ca 0.04 -0.73 -0.42 0.00 0.00 0.00 0.00 46.02 44.91 1mio n GLY 112 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1mio s ASP 113 N -2.95 6.68 -1.28 1.61 1.11 -0.03 -4.93 116.67 116.87 1mio s ASP 113 Ca 0.02 2.27 -0.11 0.00 0.18 0.00 0.00 52.55 54.91 1mio s ASP 113 Cb -0.01 -2.54 0.16 0.00 1.07 0.00 0.00 42.92 41.60 1mio s ASP 113 CO 0.02 -0.90 1.82 -0.67 1.18 0.00 0.00 175.17 176.63 1mio n ASP 114 N 6.69 5.03 0.00 0.27 2.03 -1.26 -4.84 116.55 124.47 1mio n ASP 114 Ca 0.17 -3.07 0.07 0.00 0.52 0.00 0.00 54.79 52.48 1mio n ASP 114 Cb 0.42 -1.51 0.41 0.00 -0.72 0.00 0.00 41.12 39.72 1mio n ASP 114 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1mio n LEU 115 N 4.39 0.00 -0.01 -2.67 -0.00 -1.26 -1.95 117.00 115.49 1mio n LEU 115 Ca 0.40 0.00 -0.10 0.00 -0.00 0.00 0.00 56.01 56.31 1mio n LEU 115 Cb 0.38 0.00 -0.04 0.00 -0.00 0.00 0.00 43.42 43.75 1mio n LEU 115 CO 0.79 0.00 0.89 -0.65 -0.00 0.00 0.00 177.39 178.42 1mio h PRO 116 N 0.00 0.09 -0.15 1.47 0.11 -2.01 -3.22 132.00 128.29 1mio h PRO 116 Ca 0.00 -0.01 -0.22 0.00 0.11 0.00 0.00 66.00 65.89 1mio h PRO 116 Cb 0.00 -0.02 0.01 0.00 0.11 0.00 0.00 31.00 31.10 1mio h PRO 116 CO 0.00 0.06 -0.76 1.79 -0.21 0.00 0.00 178.00 178.88 1mio h THR 117 N 0.09 1.29 -0.89 -1.15 1.35 -1.82 -3.11 112.91 108.68 1mio h THR 117 Ca 0.06 -1.99 0.14 0.00 -0.55 0.00 0.00 66.41 64.07 1mio h THR 117 Cb 0.04 1.98 -0.07 0.00 -1.73 0.00 0.00 68.15 68.37 1mio h THR 117 CO -0.07 0.63 0.57 1.88 -0.25 0.00 0.00 175.52 178.28 1mio h TYR 118 N 0.51 0.82 -0.23 4.73 0.05 -1.64 -0.16 116.97 121.05 1mio h TYR 118 Ca -0.05 0.02 -0.13 0.00 0.05 0.00 0.00 58.73 58.63 1mio h TYR 118 Cb 1.38 -0.26 -0.00 0.00 1.01 0.00 0.00 36.73 38.86 1mio h TYR 118 CO 0.08 0.31 -0.35 0.82 -1.05 0.00 0.00 178.16 177.97 1mio h ILE 119 N 0.70 1.32 -0.64 -2.88 2.04 -1.55 -1.30 117.51 115.21 1mio h ILE 119 Ca 0.44 -1.56 -0.05 0.00 1.00 0.00 0.00 64.86 64.69 1mio h ILE 119 Cb 0.69 1.77 -0.03 0.00 -0.74 0.00 0.00 36.82 38.51 1mio h ILE 119 CO -0.20 0.49 0.19 0.77 0.00 0.00 0.00 178.15 179.39 1mio h SER 120 N 0.33 0.94 0.43 1.72 4.64 -1.33 0.22 113.55 120.51 1mio h SER 120 Ca 0.02 -0.22 -0.01 0.00 -0.47 0.00 0.00 61.79 61.12 1mio h SER 120 Cb 0.94 -0.25 -0.02 0.00 -0.31 0.00 0.00 62.40 62.76 1mio h SER 120 CO 0.08 0.91 -0.40 1.56 -0.87 0.00 0.00 176.83 178.11 1mio h GLN 121 N 0.92 -0.81 -0.87 4.77 4.20 -0.95 0.18 115.11 122.56 1mio h GLN 121 Ca 0.20 0.06 0.14 0.00 0.06 0.00 0.00 58.65 59.11 1mio h GLN 121 Cb 0.31 0.18 -0.07 0.00 0.30 0.00 0.00 27.48 28.21 1mio h GLN 121 CO -0.00 -0.54 0.56 0.52 -0.67 0.00 0.00 178.83 178.70 1mio h MET 122 N -0.84 0.64 0.52 1.46 2.86 -0.87 0.11 114.93 118.82 1mio h MET 122 Ca -0.04 -0.04 -0.03 0.00 -2.06 0.00 0.00 59.70 57.54 1mio h MET 122 Cb 0.74 -0.14 0.01 0.00 0.06 0.00 0.00 31.60 32.26 1mio h MET 122 CO -0.05 0.42 -0.25 1.49 1.06 0.00 0.00 176.91 179.59 1mio h GLU 123 N 0.66 -0.67 -0.58 1.72 4.81 -0.63 0.45 114.58 120.33 1mio h GLU 123 Ca 0.44 0.05 0.12 0.00 -0.13 0.00 0.00 59.36 59.83 1mio h GLU 123 Cb 0.72 0.15 -0.11 0.00 0.63 0.00 0.00 28.75 30.15 1mio h GLU 123 CO -0.19 -0.42 -0.11 -0.44 -0.73 0.00 0.00 179.01 177.11 1mio h ASP 124 N -1.16 -0.48 0.00 1.04 3.32 -0.38 -0.31 116.42 118.46 1mio h ASP 124 Ca -0.07 0.17 0.00 0.00 0.02 0.00 0.00 57.03 57.15 1mio h ASP 124 Cb 0.56 0.34 0.00 0.00 0.22 0.00 0.00 39.33 40.45 1mio h ASP 124 CO 0.12 -0.17 0.00 0.00 -1.72 0.00 0.00 179.24 177.46 1mio n ALA 125 N -2.93 1.80 -0.87 3.45 0.00 0.36 -4.84 120.51 117.49 1mio n ALA 125 Ca 0.07 0.00 -0.02 0.00 0.00 0.00 0.00 53.44 53.48 1mio n ALA 125 Cb 0.31 -1.00 -0.01 0.00 0.00 0.00 0.00 19.45 18.75 1mio n ALA 125 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1mio n GLY 126 N 0.14 0.22 0.00 0.00 0.00 -0.13 -4.84 105.19 100.57 1mio n GLY 126 Ca 0.00 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.09 1mio n GLY 126 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1mio n SER 127 N -0.19 0.00 -4.40 1.61 2.88 0.16 -4.35 113.62 109.33 1mio n SER 127 Ca -0.02 0.46 -0.38 0.00 -1.33 0.00 0.00 58.87 57.59 1mio n SER 127 Cb 0.41 -0.48 -0.12 0.00 -0.75 0.00 0.00 64.21 63.27 1mio n SER 127 CO 0.00 0.00 0.00 -0.63 -1.23 0.00 0.00 175.04 173.18 1mio s ILE 128 N -2.96 4.41 0.98 2.46 -1.09 -1.21 -4.80 121.20 118.99 1mio s ILE 128 Ca 0.08 -0.57 -0.13 0.00 -2.23 0.00 0.00 60.65 57.81 1mio s ILE 128 Cb 0.10 -3.29 0.16 0.00 -1.58 0.00 0.00 42.46 37.85 1mio s ILE 128 CO 0.27 0.03 0.30 -2.65 -1.23 0.00 0.00 174.94 171.66 1mio n PRO 129 N 4.95 -2.14 -1.68 2.79 -0.02 -1.26 -4.89 135.00 132.75 1mio n PRO 129 Ca -0.14 -0.63 -0.42 0.00 -2.02 0.00 0.00 63.50 60.29 1mio n PRO 129 Cb 0.48 -1.44 -0.03 0.00 -0.02 0.00 0.00 33.50 32.49 1mio n PRO 129 CO 0.00 0.00 0.00 -2.00 1.98 0.00 0.00 175.50 175.48 1mio s GLU 130 N -3.38 3.94 0.00 -0.52 2.56 -1.26 -3.69 118.70 116.35 1mio s GLU 130 Ca 0.34 2.46 0.00 0.00 0.00 0.00 0.00 54.97 57.77 1mio s GLU 130 Cb -0.06 -4.20 0.00 0.00 2.00 0.00 0.00 34.13 31.88 1mio s GLU 130 CO 0.31 -1.19 0.00 0.41 -0.56 0.00 0.00 175.26 174.24 1mio n GLY 131 N 4.77 1.83 3.96 -1.50 0.00 -1.26 -5.02 105.19 107.98 1mio n GLY 131 Ca 0.22 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.96 1mio n GLY 131 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1mio s LYS 132 N -0.01 0.90 0.16 1.61 -0.14 -1.24 -5.10 119.74 115.91 1mio s LYS 132 Ca 0.00 -0.78 -0.22 0.00 -1.36 0.00 0.00 55.97 53.62 1mio s LYS 132 Cb 0.00 -2.03 0.06 0.00 -1.68 0.00 0.00 37.83 34.18 1mio s LYS 132 CO 0.00 -2.13 0.57 -0.48 -0.76 0.00 0.00 175.35 172.55 1mio s LEU 133 N -5.63 -0.41 -0.09 3.17 2.34 -0.68 -4.90 118.68 112.47 1mio s LEU 133 Ca 0.72 -0.07 0.04 0.00 0.06 0.00 0.00 54.13 54.88 1mio s LEU 133 Cb -0.03 2.49 0.00 0.00 -0.56 0.00 0.00 46.19 48.09 1mio s LEU 133 CO 0.50 -0.96 -0.22 -0.69 -1.06 0.00 0.00 176.35 173.91 1mio s VAL 134 N -3.76 1.93 0.21 1.48 1.01 -1.26 -1.73 120.40 118.27 1mio s VAL 134 Ca 0.02 -0.95 0.10 0.00 0.00 0.00 0.00 61.98 61.15 1mio s VAL 134 Cb -0.01 -1.68 -0.04 0.00 0.00 0.00 0.00 36.38 34.65 1mio s VAL 134 CO -0.12 0.53 -0.19 -0.63 0.00 0.00 0.00 175.10 174.69 1mio s ILE 135 N 0.36 2.07 0.10 2.22 1.09 -0.48 -4.98 121.20 121.58 1mio s ILE 135 Ca -0.18 -2.11 -0.06 0.00 -1.10 0.00 0.00 60.65 57.20 1mio s ILE 135 Cb -0.18 -2.05 -0.01 0.00 -1.06 0.00 0.00 42.46 39.17 1mio s ILE 135 CO 0.08 -0.34 0.15 -1.38 -0.10 0.00 0.00 174.94 173.34 1mio s HIS 136 N -2.25 0.33 0.15 3.97 -3.43 -1.26 -0.55 115.29 112.25 1mio s HIS 136 Ca 0.21 -0.77 -0.04 0.00 -0.80 0.00 0.00 55.06 53.67 1mio s HIS 136 Cb -0.05 -0.16 -0.03 0.00 -1.43 0.00 0.00 32.58 30.91 1mio s HIS 136 CO 0.09 -0.54 0.15 -0.08 -2.00 0.00 0.00 174.74 172.37 1mio s THR 137 N -3.91 0.08 -0.40 -5.38 -1.32 0.15 -4.51 115.64 100.36 1mio s THR 137 Ca 0.09 -1.71 -0.04 0.00 -1.21 0.00 0.00 61.69 58.81 1mio s THR 137 Cb 0.05 -2.00 0.09 0.00 -1.51 0.00 0.00 72.50 69.14 1mio s THR 137 CO -0.08 -0.37 0.19 0.20 -2.21 0.00 0.00 174.62 172.35 1mio s ASN 138 N -3.02 5.30 -1.00 8.08 -0.87 -1.26 -4.02 114.94 118.14 1mio s ASN 138 Ca 0.22 -1.78 -0.04 0.00 -1.57 0.00 0.00 52.86 49.69 1mio s ASN 138 Cb 0.06 -1.85 0.26 0.00 -0.02 0.00 0.00 41.25 39.70 1mio s ASN 138 CO 0.02 -0.50 1.05 0.35 -2.57 0.00 0.00 177.10 175.45 1mio n THR 139 N 4.69 4.04 -1.98 1.60 -2.24 -1.26 -4.94 114.28 114.19 1mio n THR 139 Ca -0.06 -5.40 -0.42 0.00 -2.27 0.00 0.00 64.05 55.90 1mio n THR 139 Cb 0.42 -2.38 -0.03 0.00 -2.10 0.00 0.00 70.33 66.25 1mio n THR 139 CO 0.00 0.00 0.00 -2.84 -0.57 0.00 0.00 175.07 171.66 1mio s PRO 140 N -1.73 3.19 0.58 -0.78 0.02 -1.26 -4.20 135.00 130.83 1mio s PRO 140 Ca 0.31 1.34 0.31 0.00 0.02 0.00 0.00 61.00 62.98 1mio s PRO 140 Cb -0.04 -4.24 1.35 0.00 0.02 0.00 0.00 34.50 31.59 1mio s PRO 140 CO -0.05 -2.03 1.68 0.77 -0.33 0.00 0.00 177.00 177.04 1mio h SER 141 N 13.45 0.00 -0.35 2.53 0.02 -1.90 -3.06 113.55 124.23 1mio h SER 141 Ca -0.33 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.62 1mio h SER 141 Cb 1.17 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.71 1mio h SER 141 CO 1.06 0.00 0.00 0.00 -1.14 0.00 0.00 176.83 176.75 1mio n TYR 142 N -3.68 0.88 -3.76 3.45 0.18 -1.26 -4.65 117.16 108.33 1mio n TYR 142 Ca 0.19 -0.34 -0.13 0.00 1.88 0.00 0.00 57.90 59.49 1mio n TYR 142 Cb 1.13 -0.19 -0.14 0.00 -0.38 0.00 0.00 39.34 39.76 1mio n TYR 142 CO 0.00 0.00 0.00 0.14 -2.08 0.00 0.00 176.86 174.92 1mio s VAL 143 N -1.75 -0.04 0.00 -3.48 -7.23 -1.16 -5.12 120.40 101.62 1mio s VAL 143 Ca 0.28 0.16 0.00 0.00 -1.81 0.00 0.00 61.98 60.61 1mio s VAL 143 Cb 0.19 -0.25 0.00 0.00 0.56 0.00 0.00 36.38 36.88 1mio s VAL 143 CO 0.12 0.06 0.00 0.61 -0.31 0.00 0.00 175.10 175.59 1mio n GLY 144 N 4.06 -0.40 2.93 2.32 0.00 -1.26 -4.81 105.19 108.02 1mio n GLY 144 Ca -0.25 -1.08 -0.10 0.00 0.00 0.00 0.00 46.02 44.59 1mio n GLY 144 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1mio n SER 145 N -1.14 -1.47 -0.09 1.61 3.41 -1.26 -4.71 113.62 109.97 1mio n SER 145 Ca 0.00 -2.45 0.24 0.00 -0.26 0.00 0.00 58.87 56.40 1mio n SER 145 Cb 0.00 2.58 0.52 0.00 -0.26 0.00 0.00 64.21 67.04 1mio n SER 145 CO 0.00 0.00 0.00 1.12 -0.16 0.00 0.00 175.04 176.00 1mio h HIS 146 N 1.83 0.00 -0.53 7.33 2.07 -1.13 0.23 115.15 124.94 1mio h HIS 146 Ca -0.25 0.00 -0.10 0.00 -2.85 0.00 0.00 60.37 57.17 1mio h HIS 146 Cb 1.00 0.00 -0.02 0.00 2.57 0.00 0.00 27.41 30.96 1mio h HIS 146 CO 0.00 0.00 -0.06 0.28 -3.07 0.00 0.00 177.93 175.08 1mio h VAL 147 N 0.00 1.27 -0.28 6.12 2.07 -1.89 -1.67 116.25 121.87 1mio h VAL 147 Ca 0.38 -1.20 -0.19 0.00 0.82 0.00 0.00 66.70 66.51 1mio h VAL 147 Cb 2.31 0.96 0.00 0.00 -1.52 0.00 0.00 31.29 33.04 1mio h VAL 147 CO -0.00 0.42 -0.56 0.74 0.02 0.00 0.00 177.57 178.19 1mio h THR 148 N 0.86 1.28 -0.49 2.57 2.02 -0.84 0.05 112.91 118.35 1mio h THR 148 Ca 0.14 -1.75 -0.03 0.00 0.77 0.00 0.00 66.41 65.55 1mio h THR 148 Cb 0.61 1.65 -0.02 0.00 -1.74 0.00 0.00 68.15 68.65 1mio h THR 148 CO 0.04 0.57 0.17 1.23 0.37 0.00 0.00 175.52 177.90 1mio h GLY 149 N 0.71 0.77 0.75 2.16 0.00 -1.36 -0.85 103.07 105.25 1mio h GLY 149 Ca 0.01 -0.39 -0.01 0.00 0.00 0.00 0.00 47.33 46.94 1mio h GLY 149 CO 0.12 0.37 -0.08 -2.75 0.00 0.00 0.00 176.54 174.20 1mio h PHE 150 N 0.70 -0.21 -0.65 5.60 3.04 -1.00 -2.03 116.94 122.40 1mio h PHE 150 Ca 0.17 -0.00 0.04 0.00 3.98 0.00 0.00 57.97 62.15 1mio h PHE 150 Cb 0.18 0.07 -0.04 0.00 2.56 0.00 0.00 35.95 38.72 1mio h PHE 150 CO 0.01 0.06 0.43 0.00 -2.02 0.00 0.00 178.31 176.79 1mio h ALA 151 N 0.30 1.68 -0.06 2.41 0.00 -0.73 -2.00 119.26 120.87 1mio h ALA 151 Ca -0.02 -0.03 -0.16 0.00 0.00 0.00 0.00 54.91 54.70 1mio h ALA 151 Cb 0.37 -0.20 0.01 0.00 0.00 0.00 0.00 17.79 17.97 1mio h ALA 151 CO 0.04 0.24 -0.58 -0.91 0.00 0.00 0.00 179.25 178.04 1mio h ASN 152 N 0.73 0.61 0.19 0.00 2.35 -1.15 -3.15 115.58 115.17 1mio h ASN 152 Ca 0.26 -0.69 -0.03 0.00 -0.55 0.00 0.00 56.30 55.29 1mio h ASN 152 Cb 0.13 -0.18 -0.00 0.00 0.05 0.00 0.00 38.32 38.31 1mio h ASN 152 CO -0.08 1.22 -0.16 -0.03 -1.65 0.00 0.00 177.43 176.73 1mio h MET 153 N 0.06 0.00 -0.66 0.81 4.05 -0.95 -1.52 114.93 116.73 1mio h MET 153 Ca -0.06 0.00 -0.06 0.00 -0.28 0.00 0.00 59.70 59.30 1mio h MET 153 Cb 1.26 0.00 -0.03 0.00 -0.80 0.00 0.00 31.60 32.03 1mio h MET 153 CO 0.12 0.16 0.18 0.28 0.23 0.00 0.00 176.91 177.87 1mio h VAL 154 N 0.00 1.26 0.41 -5.77 2.07 -1.41 -2.41 116.25 110.40 1mio h VAL 154 Ca -0.00 -0.91 -0.02 0.00 0.82 0.00 0.00 66.70 66.58 1mio h VAL 154 Cb 0.30 0.60 0.00 0.00 -1.52 0.00 0.00 31.29 30.67 1mio h VAL 154 CO 0.02 0.35 -0.20 -0.61 0.02 0.00 0.00 177.57 177.15 1mio h GLN 155 N 0.97 -0.53 -1.04 1.57 4.15 -1.37 -1.96 115.11 116.89 1mio h GLN 155 Ca 0.21 0.04 0.27 0.00 0.77 0.00 0.00 58.65 59.93 1mio h GLN 155 Cb 0.34 0.12 -0.09 0.00 0.21 0.00 0.00 27.48 28.06 1mio h GLN 155 CO -0.00 -0.22 0.68 0.78 -1.93 0.00 0.00 178.83 178.14 1mio h GLY 156 N -0.90 1.06 1.75 2.39 0.00 -1.29 0.32 103.07 106.40 1mio h GLY 156 Ca -0.06 -0.18 -0.25 0.00 0.00 0.00 0.00 47.33 46.85 1mio h GLY 156 CO 0.09 -0.12 -1.12 0.16 0.00 0.00 0.00 176.54 175.56 1mio h ILE 157 N 0.35 1.56 -0.29 2.60 3.07 -1.41 -1.81 117.51 121.58 1mio h ILE 157 Ca 0.58 -3.08 -0.14 0.00 1.55 0.00 0.00 64.86 63.77 1mio h ILE 157 Cb 1.57 2.84 -0.00 0.00 -0.27 0.00 0.00 36.82 40.95 1mio h ILE 157 CO -0.26 0.89 -0.36 -0.37 -1.05 0.00 0.00 178.15 177.01 1mio h VAL 158 N 0.06 1.30 -0.47 0.16 -1.51 -0.00 -1.38 116.25 114.41 1mio h VAL 158 Ca -0.09 -1.54 0.02 0.00 -1.23 0.00 0.00 66.70 63.87 1mio h VAL 158 Cb 1.84 1.60 -0.03 0.00 -2.13 0.00 0.00 31.29 32.58 1mio h VAL 158 CO 0.17 0.50 0.31 0.78 -1.23 0.00 0.00 177.57 178.10 1mio h ASN 159 N 0.50 0.48 0.37 4.19 -0.26 -0.50 0.27 115.58 120.63 1mio h ASN 159 Ca 0.04 -0.01 -0.32 0.00 -0.56 0.00 0.00 56.30 55.45 1mio h ASN 159 Cb 0.94 -0.11 -0.03 0.00 -1.06 0.00 0.00 38.32 38.06 1mio h ASN 159 CO 0.09 0.34 -1.76 1.88 -1.06 0.00 0.00 177.43 176.91 1mio h TYR 160 N 0.56 0.26 0.00 1.19 -1.99 -1.30 -3.45 116.97 112.24 1mio h TYR 160 Ca 0.19 -0.19 -0.12 0.00 2.00 0.00 0.00 58.73 60.61 1mio h TYR 160 Cb 0.05 -0.01 -0.02 0.00 2.00 0.00 0.00 36.73 38.75 1mio h TYR 160 CO -0.00 1.35 -1.44 1.28 -0.00 0.00 0.00 178.16 179.35 1mio n LEU 161 N -3.28 0.70 -4.66 3.88 4.77 -0.52 -5.03 117.00 112.85 1mio n LEU 161 Ca -0.22 -0.01 -0.51 0.00 -0.03 0.00 0.00 56.01 55.25 1mio n LEU 161 Cb 1.05 0.05 -0.05 0.00 -2.33 0.00 0.00 43.42 42.13 1mio n LEU 161 CO 0.45 0.27 1.24 -1.20 -1.33 0.00 0.00 177.39 176.82 1mio n SER 162 N -2.35 2.69 -4.06 -1.43 7.64 0.86 -4.06 113.62 112.91 1mio n SER 162 Ca -0.11 1.06 -0.27 0.00 1.01 0.00 0.00 58.87 60.56 1mio n SER 162 Cb 0.69 -1.29 -0.17 0.00 -1.01 0.00 0.00 64.21 62.44 1mio n SER 162 CO 0.00 0.00 0.00 -1.61 -3.01 0.00 0.00 175.04 170.42 1mio s GLU 163 N 2.33 2.05 -0.66 1.43 2.02 -0.13 -4.83 118.70 120.91 1mio s GLU 163 Ca 0.89 -0.53 -0.19 0.00 0.02 0.00 0.00 54.97 55.16 1mio s GLU 163 Cb -0.84 -1.67 0.11 0.00 0.10 0.00 0.00 34.13 31.83 1mio s GLU 163 CO 0.50 0.03 0.80 1.21 0.02 0.00 0.00 175.26 177.83 1mio s ASN 164 N 0.69 6.28 -0.26 -0.19 3.84 -1.26 -3.06 114.94 120.99 1mio s ASN 164 Ca -0.13 -1.53 0.01 0.00 0.21 0.00 0.00 52.86 51.42 1mio s ASN 164 Cb -0.16 -2.33 0.32 0.00 -0.55 0.00 0.00 41.25 38.54 1mio s ASN 164 CO 0.03 -1.13 1.60 0.35 -2.79 0.00 0.00 177.10 175.17 1mio n THR 165 N 5.49 2.31 -1.03 -5.21 -2.24 -1.26 -4.91 114.28 107.43 1mio n THR 165 Ca -0.03 -1.18 -0.01 0.00 -2.27 0.00 0.00 64.05 60.57 1mio n THR 165 Cb 0.44 -0.86 -0.00 0.00 -2.10 0.00 0.00 70.33 67.81 1mio n THR 165 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1mio n GLY 166 N -0.23 0.37 2.56 3.38 0.00 -1.26 -4.99 105.19 105.03 1mio n GLY 166 Ca 0.32 -0.07 -0.28 0.00 0.00 0.00 0.00 46.02 45.99 1mio n GLY 166 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1mio s ALA 167 N -1.65 0.51 0.28 4.61 0.00 -1.26 -5.12 121.76 119.13 1mio s ALA 167 Ca 0.00 -1.02 -0.29 0.00 0.00 0.00 0.00 51.96 50.64 1mio s ALA 167 Cb 0.00 -1.44 -0.10 0.00 0.00 0.00 0.00 23.12 21.58 1mio s ALA 167 CO 0.00 -1.67 1.23 -1.59 0.00 0.00 0.00 175.76 173.74 1mio s LYS 168 N 2.10 4.46 0.49 0.00 0.00 -1.26 -4.81 119.74 120.73 1mio s LYS 168 Ca 0.09 2.03 -0.04 0.00 0.00 0.00 0.00 55.97 58.06 1mio s LYS 168 Cb -0.16 -3.14 -0.02 0.00 0.00 0.00 0.00 37.83 34.51 1mio s LYS 168 CO -0.36 -0.06 0.76 0.54 0.00 0.00 0.00 175.35 176.23 1mio s ASN 169 N -0.42 6.01 -0.71 0.03 2.20 0.74 -4.98 114.94 117.81 1mio s ASN 169 Ca 0.49 0.68 -0.02 0.00 -0.94 0.00 0.00 52.86 53.08 1mio s ASN 169 Cb -0.36 -1.94 0.42 0.00 -2.00 0.00 0.00 41.25 37.37 1mio s ASN 169 CO 0.45 -0.69 2.02 0.61 -2.94 0.00 0.00 177.10 176.55 1mio n GLY 170 N -2.24 5.79 3.75 0.45 0.00 -1.26 -4.13 105.19 107.54 1mio n GLY 170 Ca 0.01 -2.36 -0.22 0.00 0.00 0.00 0.00 46.02 43.44 1mio n GLY 170 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1mio s LYS 171 N -3.89 2.62 -0.05 1.61 1.02 -1.26 -4.65 119.74 115.13 1mio s LYS 171 Ca 0.61 -1.25 0.06 0.00 0.02 0.00 0.00 55.97 55.41 1mio s LYS 171 Cb 0.49 -2.37 -0.01 0.00 -0.52 0.00 0.00 37.83 35.42 1mio s LYS 171 CO -0.12 0.35 -0.25 0.42 -0.92 0.00 0.00 175.35 174.82 1mio s ILE 172 N -2.24 2.03 0.06 2.17 1.01 -1.00 -2.25 121.20 120.99 1mio s ILE 172 Ca 0.33 -1.06 -0.14 0.00 0.00 0.00 0.00 60.65 59.78 1mio s ILE 172 Cb -0.07 -1.71 -0.06 0.00 0.01 0.00 0.00 42.46 40.63 1mio s ILE 172 CO 0.23 0.57 0.46 0.20 0.00 0.00 0.00 174.94 176.40 1mio s ASN 173 N -0.25 6.81 -0.02 3.58 0.01 -0.09 -1.45 114.94 123.52 1mio s ASN 173 Ca -0.01 0.99 0.02 0.00 -0.71 0.00 0.00 52.86 53.16 1mio s ASN 173 Cb -0.13 -2.26 0.00 0.00 0.41 0.00 0.00 41.25 39.28 1mio s ASN 173 CO 0.03 0.23 -0.09 -0.69 -1.51 0.00 0.00 177.10 175.07 1mio s VAL 174 N -1.25 0.75 -0.28 1.60 1.01 0.33 -0.70 120.40 121.87 1mio s VAL 174 Ca 0.30 -0.35 0.03 0.00 0.00 0.00 0.00 61.98 61.96 1mio s VAL 174 Cb -0.16 -0.67 0.07 0.00 0.00 0.00 0.00 36.38 35.62 1mio s VAL 174 CO 0.17 0.23 -0.06 -0.63 0.00 0.00 0.00 175.10 174.81 1mio s ILE 175 N 0.18 2.15 -1.15 2.22 1.01 -0.95 -1.70 121.20 122.96 1mio s ILE 175 Ca -0.03 -1.80 0.19 0.00 0.00 0.00 0.00 60.65 59.01 1mio s ILE 175 Cb -0.08 -2.35 0.22 0.00 0.01 0.00 0.00 42.46 40.25 1mio s ILE 175 CO 0.00 -0.19 1.59 -0.81 0.00 0.00 0.00 174.94 175.53 1mio n PRO 176 N 4.40 0.10 0.00 2.79 -0.04 -1.25 -2.01 135.00 138.98 1mio n PRO 176 Ca -0.09 0.16 0.00 0.00 -0.04 0.00 0.00 63.50 63.52 1mio n PRO 176 Cb 0.42 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.38 1mio n PRO 176 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1mio n GLY 177 N 0.38 -2.23 3.58 0.55 0.00 -1.25 -4.37 105.19 101.84 1mio n GLY 177 Ca 0.06 -1.51 -0.40 0.00 0.00 0.00 0.00 46.02 44.17 1mio n GLY 177 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1mio s PHE 178 N -0.63 2.61 0.25 1.61 5.36 -1.26 -4.87 117.98 121.05 1mio s PHE 178 Ca 0.00 -1.16 0.06 0.00 -0.96 0.00 0.00 56.93 54.87 1mio s PHE 178 Cb 0.00 -4.63 -0.05 0.00 -0.34 0.00 0.00 43.02 37.99 1mio s PHE 178 CO 0.00 -1.76 -0.07 0.14 -1.46 0.00 0.00 175.22 172.07 1mio s VAL 179 N 5.37 1.55 0.67 3.12 -7.23 -1.26 -4.99 120.40 117.63 1mio s VAL 179 Ca 0.55 -2.13 -0.02 0.00 -1.81 0.00 0.00 61.98 58.57 1mio s VAL 179 Cb 0.02 -2.31 0.08 0.00 0.56 0.00 0.00 36.38 34.73 1mio s VAL 179 CO 0.05 -0.39 0.94 -0.83 -0.31 0.00 0.00 175.10 174.56 1mio s GLY 180 N -3.38 1.77 0.32 2.32 0.00 -1.26 -4.88 107.32 102.20 1mio s GLY 180 Ca 0.27 -1.39 0.09 0.00 0.00 0.00 0.00 44.72 43.70 1mio s GLY 180 CO 0.10 -0.94 1.66 -0.56 0.00 0.00 0.00 173.10 173.36 1mio h PRO 181 N -0.40 0.29 0.00 2.90 0.13 -1.84 -1.07 132.00 132.01 1mio h PRO 181 Ca -0.40 -0.02 -0.01 0.00 -0.87 0.00 0.00 66.00 64.70 1mio h PRO 181 Cb 1.29 -0.07 -0.00 0.00 0.13 0.00 0.00 31.00 32.35 1mio h PRO 181 CO 0.49 0.19 -0.05 0.00 -0.23 0.00 0.00 178.00 178.40 1mio h ALA 182 N 1.81 1.70 0.02 -0.56 0.00 -1.86 0.29 119.26 120.68 1mio h ALA 182 Ca 0.66 -0.05 -0.28 0.00 0.00 0.00 0.00 54.91 55.24 1mio h ALA 182 Cb 1.42 -0.01 -0.04 0.00 0.00 0.00 0.00 17.79 19.16 1mio h ALA 182 CO -0.62 0.06 -1.54 -0.44 0.00 0.00 0.00 179.25 176.72 1mio h ASP 183 N 0.00 0.07 0.12 0.00 3.32 -1.46 -1.49 116.42 116.98 1mio h ASP 183 Ca -0.00 -0.13 -0.01 0.00 0.02 0.00 0.00 57.03 56.92 1mio h ASP 183 Cb 0.10 -0.02 0.00 0.00 0.22 0.00 0.00 39.33 39.63 1mio h ASP 183 CO 0.01 1.11 -0.06 0.24 -1.72 0.00 0.00 179.24 178.82 1mio h MET 184 N 0.01 -0.15 -0.79 3.56 2.86 -1.35 -2.07 114.93 117.01 1mio h MET 184 Ca -0.23 0.01 0.13 0.00 -2.06 0.00 0.00 59.70 57.55 1mio h MET 184 Cb 1.96 0.03 -0.09 0.00 0.06 0.00 0.00 31.60 33.57 1mio h MET 184 CO 0.10 0.29 0.38 0.00 1.06 0.00 0.00 176.91 178.75 1mio h ARG 185 N -0.68 0.57 -0.67 1.72 3.08 -1.04 -1.61 114.38 115.76 1mio h ARG 185 Ca -0.02 -0.03 -0.05 0.00 0.07 0.00 0.00 59.98 59.95 1mio h ARG 185 Cb 0.52 -0.13 -0.03 0.00 0.08 0.00 0.00 29.97 30.41 1mio h ARG 185 CO 0.03 0.38 0.24 1.49 -1.07 0.00 0.00 179.97 181.04 1mio h GLU 186 N 0.59 1.02 -0.11 0.04 4.57 -1.24 -1.76 114.58 117.68 1mio h GLU 186 Ca 0.41 -0.20 -0.13 0.00 -1.18 0.00 0.00 59.36 58.27 1mio h GLU 186 Cb 0.54 -0.16 -0.01 0.00 -0.16 0.00 0.00 28.75 28.96 1mio h GLU 186 CO -0.33 0.87 -0.48 0.82 -1.18 0.00 0.00 179.01 178.70 1mio h ILE 187 N 0.96 1.34 -0.67 2.32 2.04 -0.62 -1.61 117.51 121.27 1mio h ILE 187 Ca 0.22 -1.70 -0.06 0.00 1.00 0.00 0.00 64.86 64.32 1mio h ILE 187 Cb 0.25 1.78 -0.03 0.00 -0.74 0.00 0.00 36.82 38.08 1mio h ILE 187 CO -0.01 0.51 0.18 0.11 0.00 0.00 0.00 178.15 178.94 1mio h LYS 188 N 0.23 1.04 -0.33 2.37 1.57 -1.22 -1.32 116.57 118.92 1mio h LYS 188 Ca 0.01 -0.22 0.01 0.00 -1.87 0.00 0.00 60.65 58.58 1mio h LYS 188 Cb 0.94 -0.15 -0.02 0.00 0.08 0.00 0.00 32.23 33.08 1mio h LYS 188 CO 0.08 0.90 0.22 -0.09 -0.57 0.00 0.00 179.45 179.99 1mio h ARG 189 N 0.99 0.39 0.01 3.15 1.12 -0.71 -2.85 114.38 116.48 1mio h ARG 189 Ca 0.21 -0.02 -0.25 0.00 -1.11 0.00 0.00 59.98 58.81 1mio h ARG 189 Cb 0.32 -0.09 -0.04 0.00 -0.01 0.00 0.00 29.97 30.15 1mio h ARG 189 CO -0.00 0.26 -1.33 -0.07 -3.11 0.00 0.00 179.97 175.72 1mio h LEU 190 N 0.40 0.04 0.22 3.80 4.07 -0.33 -2.15 115.31 121.36 1mio h LEU 190 Ca 0.13 -0.05 -0.01 0.00 0.08 0.00 0.00 57.88 58.02 1mio h LEU 190 Cb 0.03 -0.01 0.00 0.00 1.08 0.00 0.00 40.66 41.76 1mio h LEU 190 CO -0.03 1.04 -0.10 -0.26 -1.08 0.00 0.00 178.44 178.01 1mio h PHE 191 N 0.01 -0.27 -0.31 1.13 -1.00 -1.22 -2.31 116.94 112.96 1mio h PHE 191 Ca -0.14 -0.01 -0.16 0.00 2.81 0.00 0.00 57.97 60.47 1mio h PHE 191 Cb 1.89 0.09 -0.01 0.00 3.61 0.00 0.00 35.95 41.53 1mio h PHE 191 CO 0.01 -0.06 -0.45 1.49 -1.61 0.00 0.00 178.31 177.68 1mio h GLU 192 N -0.44 0.81 -0.85 1.51 4.81 -1.65 0.20 114.58 118.98 1mio h GLU 192 Ca -0.03 -0.46 0.05 0.00 -0.13 0.00 0.00 59.36 58.79 1mio h GLU 192 Cb 0.33 0.03 -0.06 0.00 0.63 0.00 0.00 28.75 29.69 1mio h GLU 192 CO 0.05 1.09 0.54 0.00 -0.73 0.00 0.00 179.01 179.96 1mio h ALA 193 N 0.83 1.15 -0.01 2.92 0.00 -1.27 -1.37 119.26 121.51 1mio h ALA 193 Ca 0.04 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.93 1mio h ALA 193 Cb 1.03 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 18.56 1mio h ALA 193 CO 0.10 0.32 0.00 -1.33 0.00 0.00 0.00 179.25 178.34 1mio n MET 194 N -4.59 1.02 -3.77 0.00 2.81 -0.88 -4.80 117.12 106.91 1mio n MET 194 Ca 0.11 -0.03 -0.28 0.00 -1.81 0.00 0.00 57.70 55.69 1mio n MET 194 Cb 0.14 -1.24 0.01 0.00 -0.71 0.00 0.00 33.22 31.42 1mio n MET 194 CO 0.00 0.00 0.00 -3.47 1.51 0.00 0.00 175.97 174.01 1mio n ASP 195 N -0.71 -5.08 -4.03 7.83 2.03 -0.38 -4.82 116.55 111.39 1mio n ASP 195 Ca 0.11 -0.96 -0.31 0.00 0.52 0.00 0.00 54.79 54.16 1mio n ASP 195 Cb 0.06 -2.34 -0.16 0.00 -0.72 0.00 0.00 41.12 37.96 1mio n ASP 195 CO 0.00 0.00 0.00 -0.63 -1.92 0.00 0.00 177.20 174.65 1mio s ILE 196 N -3.20 1.70 0.41 5.18 1.01 0.57 -4.98 121.20 121.90 1mio s ILE 196 Ca 0.20 -0.85 -0.25 0.00 0.00 0.00 0.00 60.65 59.74 1mio s ILE 196 Cb -0.09 -1.65 -0.08 0.00 0.01 0.00 0.00 42.46 40.64 1mio s ILE 196 CO 0.89 0.35 1.21 -2.16 0.00 0.00 0.00 174.94 175.24 1mio s PRO 197 N 1.41 3.96 0.32 2.79 0.04 -1.26 -4.04 135.00 138.21 1mio s PRO 197 Ca 0.02 1.93 0.04 0.00 0.04 0.00 0.00 61.00 63.03 1mio s PRO 197 Cb -0.14 -2.65 -0.03 0.00 0.04 0.00 0.00 34.50 31.72 1mio s PRO 197 CO -0.10 -0.43 0.18 1.52 0.04 0.00 0.00 177.00 178.21 1mio s TYR 198 N -1.38 1.65 -0.04 0.56 1.13 -1.26 -2.36 117.35 115.64 1mio s TYR 198 Ca 0.58 -1.43 -0.02 0.00 -1.41 0.00 0.00 57.07 54.80 1mio s TYR 198 Cb -0.33 -0.86 0.03 0.00 -1.10 0.00 0.00 41.96 39.70 1mio s TYR 198 CO 0.41 -0.57 0.05 0.42 -2.51 0.00 0.00 175.55 173.35 1mio s ILE 199 N -3.53 -0.07 -0.16 -3.49 1.01 -0.53 -4.81 121.20 109.62 1mio s ILE 199 Ca 0.35 0.39 0.01 0.00 0.00 0.00 0.00 60.65 61.40 1mio s ILE 199 Cb 0.04 -0.17 0.01 0.00 0.01 0.00 0.00 42.46 42.34 1mio s ILE 199 CO 0.19 0.18 -0.17 -0.32 0.00 0.00 0.00 174.94 174.82 1mio s MET 200 N 2.07 3.12 0.03 2.79 1.75 -1.26 -0.51 119.30 127.29 1mio s MET 200 Ca 0.04 -0.79 0.02 0.00 -1.25 0.00 0.00 55.69 53.71 1mio s MET 200 Cb -0.12 -2.59 -0.02 0.00 2.84 0.00 0.00 34.83 34.94 1mio s MET 200 CO -0.03 -0.06 -0.08 -0.59 -0.65 0.00 0.00 175.02 173.61 1mio s PHE 201 N 0.98 0.68 1.20 4.11 -0.71 -0.69 -4.49 117.98 119.07 1mio s PHE 201 Ca -0.02 -0.38 -0.18 0.00 -1.04 0.00 0.00 56.93 55.31 1mio s PHE 201 Cb -0.15 -0.41 0.23 0.00 -1.21 0.00 0.00 43.02 41.49 1mio s PHE 201 CO -0.04 -0.05 0.49 -2.30 -1.34 0.00 0.00 175.22 171.98 1mio n PRO 202 N 1.87 -2.84 -2.90 1.99 -0.02 -1.26 -3.92 135.00 127.93 1mio n PRO 202 Ca -0.20 -0.83 -0.13 0.00 -2.02 0.00 0.00 63.50 60.32 1mio n PRO 202 Cb 0.56 -1.77 0.01 0.00 -0.02 0.00 0.00 33.50 32.27 1mio n PRO 202 CO 0.00 0.00 0.00 -3.47 1.98 0.00 0.00 175.50 174.01 1mio n ASP 203 N -3.21 -1.96 0.00 2.55 -0.08 -1.07 -4.71 116.55 108.07 1mio n ASP 203 Ca 0.06 -3.09 0.03 0.00 -1.51 0.00 0.00 54.79 50.27 1mio n ASP 203 Cb 0.53 1.04 0.13 0.00 2.34 0.00 0.00 41.12 45.16 1mio n ASP 203 CO 0.00 0.00 0.00 0.41 0.12 0.00 0.00 177.20 177.73 1mio n THR 204 N 1.66 0.96 -0.11 5.18 -1.04 -1.26 -0.53 114.28 119.13 1mio n THR 204 Ca 0.13 0.24 -0.03 0.00 -2.04 0.00 0.00 64.05 62.35 1mio n THR 204 Cb 0.59 -1.15 -0.03 0.00 -1.82 0.00 0.00 70.33 67.92 1mio n THR 204 CO 0.00 0.00 0.00 -1.20 -0.64 0.00 0.00 175.07 173.23 1mio n SER 205 N -1.29 -0.29 -1.93 8.00 7.64 -1.26 -1.30 113.62 123.19 1mio n SER 205 Ca 0.02 1.03 -0.14 0.00 1.01 0.00 0.00 58.87 60.80 1mio n SER 205 Cb 0.04 -0.34 0.20 0.00 -1.01 0.00 0.00 64.21 63.10 1mio n SER 205 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1mio n GLY 206 N -1.07 3.74 0.93 0.23 0.00 -1.26 -4.37 105.19 103.39 1mio n GLY 206 Ca 0.01 -0.87 -0.01 0.00 0.00 0.00 0.00 46.02 45.14 1mio n GLY 206 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1mio n VAL 207 N -0.52 1.22 -1.41 1.61 0.31 -0.42 -2.52 118.33 116.60 1mio n VAL 207 Ca 0.43 0.35 -0.30 0.00 -0.01 0.00 0.00 64.34 64.82 1mio n VAL 207 Cb 1.37 -1.68 0.10 0.00 -0.91 0.00 0.00 33.84 32.72 1mio n VAL 207 CO 0.00 0.00 0.00 0.18 -1.32 0.00 0.00 176.83 175.69 1mio n LEU 208 N -3.60 6.94 0.00 7.52 4.77 -0.57 -4.80 117.00 127.27 1mio n LEU 208 Ca -0.02 -4.20 -0.06 0.00 -0.03 0.00 0.00 56.01 51.71 1mio n LEU 208 Cb 0.09 -0.85 0.02 0.00 -2.33 0.00 0.00 43.42 40.35 1mio n LEU 208 CO 0.03 1.47 0.38 -0.90 -1.33 0.00 0.00 177.39 177.03 1mio n ASP 209 N -0.95 -1.54 0.00 -1.43 5.75 -1.26 -4.86 116.55 112.27 1mio n ASP 209 Ca 0.58 -2.05 0.00 0.00 -0.01 0.00 0.00 54.79 53.31 1mio n ASP 209 Cb 0.91 2.56 0.00 0.00 -1.03 0.00 0.00 41.12 43.55 1mio n ASP 209 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1mio n GLY 210 N -0.37 1.45 3.74 6.12 0.00 -1.26 -4.87 105.19 109.99 1mio n GLY 210 Ca -0.06 -2.23 -0.41 0.00 0.00 0.00 0.00 46.02 43.32 1mio n GLY 210 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 1mio s PRO 211 N -1.32 4.68 -0.33 1.61 0.02 -1.26 -5.03 135.00 133.37 1mio s PRO 211 Ca 0.00 1.57 -0.23 0.00 0.02 0.00 0.00 61.00 62.36 1mio s PRO 211 Cb 0.00 -3.32 0.00 0.00 0.02 0.00 0.00 34.50 31.20 1mio s PRO 211 CO 0.00 0.21 0.76 0.99 -0.33 0.00 0.00 177.00 178.63 1mio s THR 212 N -0.32 4.80 -0.04 0.99 2.01 -1.26 -4.86 115.64 116.95 1mio s THR 212 Ca 0.47 1.01 0.11 0.00 0.31 0.00 0.00 61.69 63.59 1mio s THR 212 Cb -0.26 -4.14 -0.17 0.00 0.01 0.00 0.00 72.50 67.93 1mio s THR 212 CO 0.32 -0.30 0.20 0.35 -0.69 0.00 0.00 174.62 174.51 1mio n THR 213 N 5.60 0.20 0.00 -0.82 -2.24 -1.26 -5.03 114.28 110.73 1mio n THR 213 Ca 0.03 -0.33 0.00 0.00 -2.27 0.00 0.00 64.05 61.48 1mio n THR 213 Cb 0.48 -0.02 0.00 0.00 -2.10 0.00 0.00 70.33 68.70 1mio n THR 213 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1mio n GLY 214 N 1.95 2.17 3.53 3.38 0.00 -1.26 -5.09 105.19 109.87 1mio n GLY 214 Ca -0.06 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.62 1mio n GLY 214 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1mio s GLU 215 N -0.27 2.78 -0.11 1.61 -1.05 -1.26 -5.11 118.70 115.29 1mio s GLU 215 Ca 0.00 -0.60 -0.11 0.00 -0.15 0.00 0.00 54.97 54.11 1mio s GLU 215 Cb 0.00 -2.55 -0.05 0.00 -0.44 0.00 0.00 34.13 31.09 1mio s GLU 215 CO 0.00 0.59 0.24 -0.47 0.95 0.00 0.00 175.26 176.57 1mio s TYR 216 N -0.63 3.57 -0.19 4.83 5.04 -1.26 -5.07 117.35 123.65 1mio s TYR 216 Ca 0.09 0.63 -0.00 0.00 -2.44 0.00 0.00 57.07 55.35 1mio s TYR 216 Cb -0.11 -2.15 0.01 0.00 0.35 0.00 0.00 41.96 40.06 1mio s TYR 216 CO 0.02 0.53 -0.16 0.15 -1.34 0.00 0.00 175.55 174.75 1mio s LYS 217 N -0.49 3.09 0.48 4.97 3.01 -1.26 -4.99 119.74 124.56 1mio s LYS 217 Ca 0.17 -0.78 0.28 0.00 -1.01 0.00 0.00 55.97 54.62 1mio s LYS 217 Cb -0.13 -2.66 1.35 0.00 -1.01 0.00 0.00 37.83 35.37 1mio s LYS 217 CO 0.05 -0.19 1.82 1.98 0.51 0.00 0.00 175.35 179.52 1mio h MET 218 N 7.92 0.16 -3.92 1.68 1.85 -2.02 -2.89 114.93 117.71 1mio h MET 218 Ca -0.44 -0.01 -0.66 0.00 -0.61 0.00 0.00 59.70 57.98 1mio h MET 218 Cb 1.15 -0.04 -0.39 0.00 0.43 0.00 0.00 31.60 32.75 1mio h MET 218 CO 0.62 0.10 -0.59 0.71 -0.40 0.00 0.00 176.91 177.36 1mio s TYR 219 N -5.17 3.44 1.03 1.39 2.02 -1.26 -4.96 117.35 113.83 1mio s TYR 219 Ca -0.06 -2.95 -0.13 0.00 -0.37 0.00 0.00 57.07 53.56 1mio s TYR 219 Cb 0.23 -2.97 0.15 0.00 -0.40 0.00 0.00 41.96 38.97 1mio s TYR 219 CO 0.79 -0.85 0.73 -2.30 -1.57 0.00 0.00 175.55 172.36 1mio n PRO 220 N 3.67 -1.13 -0.05 -1.71 -0.02 -1.09 -4.89 135.00 129.78 1mio n PRO 220 Ca 0.04 -0.29 0.10 0.00 -2.02 0.00 0.00 63.50 61.34 1mio n PRO 220 Cb 0.37 -2.07 0.45 0.00 -0.02 0.00 0.00 33.50 32.23 1mio n PRO 220 CO 0.00 0.00 0.00 -0.85 1.98 0.00 0.00 175.50 176.63 1mio n GLU 221 N -3.41 1.45 -0.01 -0.52 0.28 -1.25 -4.55 120.64 112.63 1mio n GLU 221 Ca 0.06 -0.67 0.00 0.00 -0.16 0.00 0.00 57.16 56.39 1mio n GLU 221 Cb 0.55 -1.36 0.00 0.00 1.43 0.00 0.00 31.44 32.06 1mio n GLU 221 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 1mio n GLY 222 N 1.00 -0.24 0.00 -1.84 0.00 -1.05 -4.85 105.19 98.21 1mio n GLY 222 Ca 0.16 -1.71 0.00 0.00 0.00 0.00 0.00 46.02 44.46 1mio n GLY 222 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1mio n GLY 223 N 5.00 -0.96 3.81 -0.02 0.00 0.31 -3.98 105.19 109.35 1mio n GLY 223 Ca 0.00 -1.64 -0.37 0.00 0.00 0.00 0.00 46.02 44.01 1mio n GLY 223 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1mio s THR 224 N -2.36 4.57 0.24 2.61 2.01 -0.04 -4.40 115.64 118.27 1mio s THR 224 Ca 0.00 1.36 -0.30 0.00 0.31 0.00 0.00 61.69 63.06 1mio s THR 224 Cb 0.00 -3.94 -0.09 0.00 0.01 0.00 0.00 72.50 68.48 1mio s THR 224 CO 0.00 0.37 0.96 -0.54 -0.69 0.00 0.00 174.62 174.72 1mio s LYS 225 N -1.56 4.83 0.23 4.92 1.02 -1.26 -0.81 119.74 127.10 1mio s LYS 225 Ca 0.38 1.52 -0.13 0.00 0.02 0.00 0.00 55.97 57.76 1mio s LYS 225 Cb -0.19 -3.27 0.28 0.00 -0.52 0.00 0.00 37.83 34.13 1mio s LYS 225 CO 0.22 0.48 1.60 0.82 -0.92 0.00 0.00 175.35 177.55 1mio h ILE 226 N 3.16 0.24 -0.76 2.17 1.08 -1.98 0.12 117.51 121.54 1mio h ILE 226 Ca -0.45 0.00 0.16 0.00 -0.39 0.00 0.00 64.86 64.18 1mio h ILE 226 Cb 1.20 0.24 -0.10 0.00 -3.07 0.00 0.00 36.82 35.09 1mio h ILE 226 CO 0.68 0.00 0.26 -0.33 -0.69 0.00 0.00 178.15 178.07 1mio h GLU 227 N -0.02 0.36 -0.07 2.37 3.07 -1.99 0.45 114.58 118.75 1mio h GLU 227 Ca 0.34 -0.02 -0.16 0.00 -0.50 0.00 0.00 59.36 59.02 1mio h GLU 227 Cb 0.54 -0.08 -0.01 0.00 -0.84 0.00 0.00 28.75 28.36 1mio h GLU 227 CO -0.76 0.24 -0.67 -0.44 -1.40 0.00 0.00 179.01 175.98 1mio h ASP 228 N 0.37 0.33 0.34 1.42 3.32 -1.18 -1.66 116.42 119.35 1mio h ASP 228 Ca 0.43 -0.21 -0.06 0.00 0.02 0.00 0.00 57.03 57.22 1mio h ASP 228 Cb 0.71 -0.10 -0.01 0.00 0.22 0.00 0.00 39.33 40.16 1mio h ASP 228 CO -0.46 0.90 -0.26 -0.07 -1.72 0.00 0.00 179.24 177.63 1mio h LEU 229 N 0.20 0.00 -0.54 1.55 4.07 -0.40 -1.53 115.31 118.66 1mio h LEU 229 Ca -0.02 0.00 -0.14 0.00 0.08 0.00 0.00 57.88 57.81 1mio h LEU 229 Cb 1.21 0.00 -0.02 0.00 1.08 0.00 0.00 40.66 42.93 1mio h LEU 229 CO 0.11 0.26 -0.66 0.11 -1.08 0.00 0.00 178.44 177.18 1mio h LYS 230 N 0.00 0.00 -0.00 1.13 1.57 -0.14 -3.21 116.57 115.92 1mio h LYS 230 Ca -0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1mio h LYS 230 Cb 0.51 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.82 1mio h LYS 230 CO 0.03 0.66 -0.02 -3.47 -0.57 0.00 0.00 179.45 176.09 1mio n ASP 231 N -3.59 0.05 0.27 0.86 2.03 -0.60 -0.96 116.55 114.61 1mio n ASP 231 Ca -0.00 -0.08 0.13 0.00 0.52 0.00 0.00 54.79 55.35 1mio n ASP 231 Cb 0.69 -0.29 0.78 0.00 -0.72 0.00 0.00 41.12 41.57 1mio n ASP 231 CO 0.00 0.00 0.00 0.71 -1.92 0.00 0.00 177.20 175.99 1mio h THR 232 N 0.04 0.61 0.00 5.18 1.35 -1.49 -0.97 112.91 117.63 1mio h THR 232 Ca 0.00 -0.33 0.00 0.00 -0.55 0.00 0.00 66.41 65.53 1mio h THR 232 Cb 0.33 1.21 0.00 0.00 -1.73 0.00 0.00 68.15 67.95 1mio h THR 232 CO 0.00 0.08 0.00 0.61 -0.25 0.00 0.00 175.52 175.96 1mio n GLY 233 N -0.98 -1.11 1.09 5.82 0.00 -1.17 -2.81 105.19 106.02 1mio n GLY 233 Ca -0.02 0.01 -0.04 0.00 0.00 0.00 0.00 46.02 45.97 1mio n GLY 233 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1mio n ASN 234 N -1.80 2.57 -4.98 1.61 3.02 -0.37 -4.07 115.26 111.24 1mio n ASN 234 Ca 0.03 -3.84 -0.20 0.00 -0.03 0.00 0.00 54.58 50.54 1mio n ASN 234 Cb 0.19 -0.58 0.02 0.00 -0.61 0.00 0.00 39.78 38.80 1mio n ASN 234 CO 0.00 0.00 0.00 -0.44 -2.62 0.00 0.00 177.26 174.20 1mio s SER 235 N -2.89 5.21 -0.01 6.41 0.01 -1.13 -0.19 113.70 121.12 1mio s SER 235 Ca 0.43 -0.74 0.14 0.00 1.31 0.00 0.00 55.95 57.09 1mio s SER 235 Cb 0.40 -0.15 -0.20 0.00 0.21 0.00 0.00 66.02 66.28 1mio s SER 235 CO -0.02 -1.00 0.72 0.47 0.41 0.00 0.00 173.24 173.82 1mio n ASP 236 N -1.93 0.87 -3.44 2.44 8.00 -0.95 -4.82 116.55 116.72 1mio n ASP 236 Ca 0.09 0.40 -0.13 0.00 0.71 0.00 0.00 54.79 55.86 1mio n ASP 236 Cb 0.61 0.01 -0.03 0.00 -0.02 0.00 0.00 41.12 41.70 1mio n ASP 236 CO 0.00 0.00 0.00 -0.22 -0.39 0.00 0.00 177.20 176.59 1mio s LEU 237 N -5.98 -0.58 0.06 0.64 2.96 -1.26 -4.36 118.68 110.15 1mio s LEU 237 Ca -0.04 0.11 0.09 0.00 -0.22 0.00 0.00 54.13 54.08 1mio s LEU 237 Cb 0.08 2.59 -0.03 0.00 0.50 0.00 0.00 46.19 49.33 1mio s LEU 237 CO 0.82 -0.91 -0.26 -0.89 -1.32 0.00 0.00 176.35 173.79 1mio s THR 238 N -3.34 2.12 -0.11 3.68 2.01 -0.67 -0.91 115.64 118.41 1mio s THR 238 Ca -0.01 -1.43 0.01 0.00 0.31 0.00 0.00 61.69 60.57 1mio s THR 238 Cb -0.01 -1.82 0.02 0.00 0.01 0.00 0.00 72.50 70.69 1mio s THR 238 CO -0.09 0.31 -0.15 -0.76 -0.69 0.00 0.00 174.62 173.24 1mio s LEU 239 N -1.36 1.71 -0.27 4.42 1.43 0.13 -0.91 118.68 123.82 1mio s LEU 239 Ca 0.12 -0.43 -0.14 0.00 -1.03 0.00 0.00 54.13 52.65 1mio s LEU 239 Cb -0.10 -1.10 -0.04 0.00 0.03 0.00 0.00 46.19 44.99 1mio s LEU 239 CO 0.03 0.00 0.32 -0.44 0.23 0.00 0.00 176.35 176.49 1mio s SER 240 N 1.06 6.19 -1.01 2.29 0.01 0.06 -2.23 113.70 120.07 1mio s SER 240 Ca -0.05 0.19 -0.03 0.00 1.31 0.00 0.00 55.95 57.37 1mio s SER 240 Cb -0.15 -2.18 0.28 0.00 0.21 0.00 0.00 66.02 64.18 1mio s SER 240 CO -0.03 -0.15 1.21 0.18 0.41 0.00 0.00 173.24 174.86 1mio n LEU 241 N 5.26 5.58 0.00 2.44 4.32 -0.85 -0.72 117.00 133.02 1mio n LEU 241 Ca -0.10 -5.20 0.00 0.00 -0.02 0.00 0.00 56.01 50.69 1mio n LEU 241 Cb 0.51 -1.21 0.00 0.00 -1.62 0.00 0.00 43.42 41.10 1mio n LEU 241 CO 0.36 1.65 0.00 0.61 -1.22 0.00 0.00 177.39 178.79 1mio n GLY 242 N 1.69 3.20 0.17 -0.72 0.00 -1.17 -3.95 105.19 104.41 1mio n GLY 242 Ca 0.25 -0.26 0.02 0.00 0.00 0.00 0.00 46.02 46.03 1mio n GLY 242 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1mio h SER 243 N 0.00 0.00 0.72 1.61 4.64 -1.86 0.30 113.55 118.96 1mio h SER 243 Ca 0.00 0.00 -0.20 0.00 -0.47 0.00 0.00 61.79 61.12 1mio h SER 243 Cb 0.00 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.07 1mio h SER 243 CO 0.00 0.47 -0.92 1.88 -0.87 0.00 0.00 176.83 177.39 1mio h TYR 244 N 0.00 0.19 0.00 4.77 -1.99 -1.97 -3.39 116.97 114.57 1mio h TYR 244 Ca -0.00 -0.11 -0.14 0.00 2.00 0.00 0.00 58.73 60.48 1mio h TYR 244 Cb 0.86 -0.02 -0.03 0.00 2.00 0.00 0.00 36.73 39.55 1mio h TYR 244 CO 0.00 0.97 -1.52 0.00 -0.00 0.00 0.00 178.16 177.61 1mio n ALA 245 N -2.43 1.81 1.03 3.88 0.00 -1.03 -4.73 120.51 119.04 1mio n ALA 245 Ca -0.03 -0.45 0.12 0.00 0.00 0.00 0.00 53.44 53.09 1mio n ALA 245 Cb 0.85 0.17 0.15 0.00 0.00 0.00 0.00 19.45 20.62 1mio n ALA 245 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 1mio n SER 246 N -2.48 2.84 0.03 0.00 7.64 0.10 -3.93 113.62 117.82 1mio n SER 246 Ca -0.14 -1.94 -0.13 0.00 1.01 0.00 0.00 58.87 57.67 1mio n SER 246 Cb 0.71 -0.01 -0.14 0.00 -1.01 0.00 0.00 64.21 63.77 1mio n SER 246 CO 0.00 0.00 0.00 0.44 -3.01 0.00 0.00 175.04 172.47 1mio h ASP 247 N 4.43 0.21 -0.24 6.43 5.19 -1.75 -1.49 116.42 129.19 1mio h ASP 247 Ca 0.00 -0.32 0.00 0.00 -0.62 0.00 0.00 57.03 56.09 1mio h ASP 247 Cb 0.94 -0.07 -0.01 0.00 0.18 0.00 0.00 39.33 40.37 1mio h ASP 247 CO 0.00 1.27 0.16 -0.07 -3.12 0.00 0.00 179.24 177.48 1mio h LEU 248 N 0.04 0.28 0.30 1.55 -0.00 -1.83 -2.21 115.31 113.43 1mio h LEU 248 Ca -0.23 -0.01 -0.00 0.00 -0.00 0.00 0.00 57.88 57.63 1mio h LEU 248 Cb 1.98 -0.07 -0.03 0.00 -0.00 0.00 0.00 40.66 42.53 1mio h LEU 248 CO 0.12 0.20 -0.49 1.23 -0.00 0.00 0.00 178.44 179.50 1mio h GLY 249 N 0.32 -1.21 -0.77 0.83 0.00 -1.76 0.76 103.07 101.24 1mio h GLY 249 Ca 0.09 0.61 0.11 0.00 0.00 0.00 0.00 47.33 48.14 1mio h GLY 249 CO -0.02 -0.33 -0.32 0.00 0.00 0.00 0.00 176.54 175.87 1mio n ALA 250 N -2.84 -0.15 0.08 3.60 0.00 -0.56 -0.28 120.51 120.35 1mio n ALA 250 Ca -0.10 0.75 -0.13 0.00 0.00 0.00 0.00 53.44 53.97 1mio n ALA 250 Cb 0.41 -0.31 -0.08 0.00 0.00 0.00 0.00 19.45 19.47 1mio n ALA 250 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 1mio h LYS 251 N 0.00 -0.18 -0.04 0.00 1.57 -1.26 -2.80 116.57 113.87 1mio h LYS 251 Ca 0.25 0.01 -0.05 0.00 -1.87 0.00 0.00 60.65 58.99 1mio h LYS 251 Cb 0.44 0.04 -0.01 0.00 0.08 0.00 0.00 32.23 32.78 1mio h LYS 251 CO -0.76 0.09 -0.22 1.15 -0.57 0.00 0.00 179.45 179.14 1mio h THR 252 N -0.44 1.18 -0.29 -0.16 2.02 0.99 0.67 112.91 116.88 1mio h THR 252 Ca -0.02 -0.84 -0.12 0.00 0.77 0.00 0.00 66.41 66.20 1mio h THR 252 Cb 0.35 1.40 -0.00 0.00 -1.74 0.00 0.00 68.15 68.16 1mio h THR 252 CO 0.03 0.24 -0.30 0.25 0.37 0.00 0.00 175.52 176.11 1mio h LEU 253 N 0.06 0.77 -0.11 2.58 6.46 -0.70 -1.64 115.31 122.73 1mio h LEU 253 Ca 0.01 -0.47 -0.16 0.00 -0.12 0.00 0.00 57.88 57.14 1mio h LEU 253 Cb 0.43 -0.22 -0.02 0.00 -0.73 0.00 0.00 40.66 40.12 1mio h LEU 253 CO 0.03 1.09 -0.76 -0.08 -0.62 0.00 0.00 178.44 178.10 1mio h GLU 254 N 0.47 0.00 0.11 1.25 4.22 -1.00 0.40 114.58 120.03 1mio h GLU 254 Ca 0.05 0.00 -0.27 0.00 0.08 0.00 0.00 59.36 59.22 1mio h GLU 254 Cb 0.87 0.00 0.03 0.00 0.50 0.00 0.00 28.75 30.15 1mio h GLU 254 CO 0.07 0.76 -1.11 -0.22 -2.18 0.00 0.00 179.01 176.33 1mio h LYS 255 N 0.00 0.55 0.00 1.92 1.63 0.29 -2.43 116.57 118.54 1mio h LYS 255 Ca -0.01 -0.75 0.00 0.00 -0.85 0.00 0.00 60.65 59.05 1mio h LYS 255 Cb 1.54 0.25 0.00 0.00 -0.60 0.00 0.00 32.23 33.41 1mio h LYS 255 CO 0.10 1.33 0.00 1.17 -3.45 0.00 0.00 179.45 178.60 1mio n LYS 256 N -3.90 0.00 0.00 1.90 4.81 -0.62 -4.32 118.16 116.04 1mio n LYS 256 Ca -0.13 0.19 0.13 0.00 -0.87 0.00 0.00 58.31 57.62 1mio n LYS 256 Cb 0.93 -0.87 0.62 0.00 0.02 0.00 0.00 35.03 35.73 1mio n LYS 256 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1mio n LYS 258 N -1.37 -5.68 -3.40 0.00 4.76 -0.91 -4.71 118.16 106.85 1mio n LYS 258 Ca 0.10 0.66 -0.43 0.00 -2.87 0.00 0.00 58.31 55.77 1mio n LYS 258 Cb 0.25 -5.44 -0.09 0.00 -1.84 0.00 0.00 35.03 27.90 1mio n LYS 258 CO 0.00 0.00 0.00 0.08 -1.37 0.00 0.00 177.40 176.11 1mio s VAL 259 N -3.46 5.18 0.63 -0.18 1.01 -1.25 -4.95 120.40 117.39 1mio s VAL 259 Ca 0.34 -0.51 -0.17 0.00 0.00 0.00 0.00 61.98 61.64 1mio s VAL 259 Cb -0.16 -3.97 -0.01 0.00 0.00 0.00 0.00 36.38 32.23 1mio s VAL 259 CO 0.80 -0.35 1.19 -2.16 0.00 0.00 0.00 175.10 174.58 1mio s PRO 260 N 1.89 2.76 0.21 2.72 0.04 -1.26 -3.82 135.00 137.53 1mio s PRO 260 Ca 0.08 1.74 0.11 0.00 0.04 0.00 0.00 61.00 62.97 1mio s PRO 260 Cb -0.18 -1.91 -0.04 0.00 0.04 0.00 0.00 34.50 32.40 1mio s PRO 260 CO 0.12 -1.35 -0.21 -0.59 0.04 0.00 0.00 177.00 175.00 1mio s PHE 261 N -1.80 2.15 -0.04 0.56 -0.71 -1.26 -1.66 117.98 115.21 1mio s PHE 261 Ca 0.75 -0.39 0.07 0.00 -1.04 0.00 0.00 56.93 56.32 1mio s PHE 261 Cb -0.28 -1.03 -0.01 0.00 -1.21 0.00 0.00 43.02 40.48 1mio s PHE 261 CO 0.37 0.50 -0.25 0.15 -1.34 0.00 0.00 175.22 174.65 1mio s LYS 262 N -2.93 2.37 -0.20 1.99 1.02 -0.09 -4.92 119.74 116.98 1mio s LYS 262 Ca 0.22 -0.90 -0.12 0.00 0.02 0.00 0.00 55.97 55.18 1mio s LYS 262 Cb -0.06 -2.09 -0.05 0.00 -0.52 0.00 0.00 37.83 35.11 1mio s LYS 262 CO 0.10 0.43 0.24 0.99 -0.92 0.00 0.00 175.35 176.19 1mio s THR 263 N -0.30 5.32 0.46 2.17 2.01 -1.26 -0.76 115.64 123.28 1mio s THR 263 Ca 0.01 0.39 0.06 0.00 0.31 0.00 0.00 61.69 62.45 1mio s THR 263 Cb -0.12 -3.57 -0.02 0.00 0.01 0.00 0.00 72.50 68.79 1mio s THR 263 CO 0.02 0.36 0.21 -0.76 -0.69 0.00 0.00 174.62 173.76 1mio s LEU 264 N 0.81 2.89 0.44 4.42 2.01 0.10 -4.94 118.68 124.40 1mio s LEU 264 Ca 0.12 -1.20 -0.10 0.00 0.01 0.00 0.00 54.13 52.95 1mio s LEU 264 Cb -0.13 -1.28 -0.06 0.00 0.01 0.00 0.00 46.19 44.73 1mio s LEU 264 CO 0.04 -0.73 0.81 -0.13 1.01 0.00 0.00 176.35 177.35 1mio s ARG 265 N -3.99 3.76 0.08 1.70 1.81 -1.26 -3.04 118.95 118.00 1mio s ARG 265 Ca 0.34 0.51 -0.36 0.00 -1.72 0.00 0.00 55.73 54.50 1mio s ARG 265 Cb 0.02 -2.34 -0.15 0.00 -0.45 0.00 0.00 34.95 32.03 1mio s ARG 265 CO 0.19 -0.12 1.49 2.41 -0.68 0.00 0.00 175.30 178.59 1mio n THR 266 N -1.54 0.05 -0.30 0.02 -1.04 -1.26 -4.72 114.28 105.49 1mio n THR 266 Ca 0.03 -0.01 -0.03 0.00 -2.04 0.00 0.00 64.05 62.00 1mio n THR 266 Cb 0.54 -1.18 -0.05 0.00 -1.82 0.00 0.00 70.33 67.82 1mio n THR 266 CO 0.00 0.00 0.00 -2.65 -0.64 0.00 0.00 175.07 171.78 1mio n PRO 267 N 3.26 0.60 -3.45 -2.82 -0.02 -1.26 -4.79 135.00 126.51 1mio n PRO 267 Ca 0.19 -0.28 -0.38 0.00 -2.02 0.00 0.00 63.50 61.01 1mio n PRO 267 Cb 0.23 -1.62 -0.08 0.00 -0.02 0.00 0.00 33.50 32.01 1mio n PRO 267 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 1mio s ILE 268 N 2.24 5.24 0.27 4.25 1.01 -1.26 -1.83 121.20 131.12 1mio s ILE 268 Ca 0.19 0.59 0.00 0.00 0.00 0.00 0.00 60.65 61.43 1mio s ILE 268 Cb 0.09 -3.68 0.00 0.00 0.01 0.00 0.00 42.46 38.88 1mio s ILE 268 CO 0.00 0.28 0.00 0.61 0.00 0.00 0.00 174.94 175.83 1mio n GLY 269 N 3.96 -3.12 0.25 6.18 0.00 -1.26 -4.33 105.19 106.87 1mio n GLY 269 Ca -0.10 -1.21 -0.03 0.00 0.00 0.00 0.00 46.02 44.68 1mio n GLY 269 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1mio n VAL 270 N -2.63 -0.37 0.29 1.61 0.31 -1.26 -0.67 118.33 115.60 1mio n VAL 270 Ca -0.03 1.50 -0.15 0.00 -0.01 0.00 0.00 64.34 65.65 1mio n VAL 270 Cb 0.27 -1.93 -0.08 0.00 -0.91 0.00 0.00 33.84 31.19 1mio n VAL 270 CO 0.00 0.00 0.00 0.28 -1.32 0.00 0.00 176.83 175.79 1mio h SER 271 N 0.00 -0.62 1.15 4.52 0.02 -1.95 -1.62 113.55 115.05 1mio h SER 271 Ca 0.18 -0.05 -0.06 0.00 -0.84 0.00 0.00 61.79 61.02 1mio h SER 271 Cb 0.33 0.16 -0.01 0.00 0.14 0.00 0.00 62.40 63.03 1mio h SER 271 CO -0.61 -0.30 -0.28 0.00 -1.14 0.00 0.00 176.83 174.50 1mio h ALA 272 N -0.64 0.93 0.01 3.77 0.00 -1.59 -2.61 119.26 119.14 1mio h ALA 272 Ca -0.08 -0.25 -0.21 0.00 0.00 0.00 0.00 54.91 54.37 1mio h ALA 272 Cb 0.63 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.35 1mio h ALA 272 CO 0.12 0.35 -0.99 1.15 0.00 0.00 0.00 179.25 179.88 1mio h THR 273 N 0.00 1.66 -0.21 0.00 2.02 -0.83 -2.71 112.91 112.84 1mio h THR 273 Ca -0.00 -3.24 -0.07 0.00 0.77 0.00 0.00 66.41 63.87 1mio h THR 273 Cb 0.93 2.78 -0.00 0.00 -1.74 0.00 0.00 68.15 70.11 1mio h THR 273 CO 0.04 0.93 -0.13 0.44 0.37 0.00 0.00 175.52 177.17 1mio h ASP 274 N 0.01 0.48 0.22 4.18 5.19 -1.07 -2.50 116.42 122.93 1mio h ASP 274 Ca -0.02 -0.43 -0.02 0.00 -0.62 0.00 0.00 57.03 55.93 1mio h ASP 274 Cb 1.72 -0.13 -0.00 0.00 0.18 0.00 0.00 39.33 41.09 1mio h ASP 274 CO 0.13 0.81 -0.11 -0.08 -3.12 0.00 0.00 179.24 176.87 1mio h GLU 275 N 0.16 0.00 0.68 3.56 4.57 -1.54 -0.39 114.58 121.62 1mio h GLU 275 Ca 0.04 0.00 -0.03 0.00 -1.18 0.00 0.00 59.36 58.19 1mio h GLU 275 Cb 0.64 0.00 0.01 0.00 -0.16 0.00 0.00 28.75 29.23 1mio h GLU 275 CO 0.04 0.11 -0.33 0.35 -1.18 0.00 0.00 179.01 178.00 1mio h PHE 276 N 0.00 -0.85 -0.38 0.92 3.57 -1.11 -0.35 116.94 118.73 1mio h PHE 276 Ca -0.00 -0.02 0.11 0.00 3.53 0.00 0.00 57.97 61.59 1mio h PHE 276 Cb 0.25 0.28 -0.02 0.00 2.79 0.00 0.00 35.95 39.25 1mio h PHE 276 CO 0.00 -0.50 0.29 0.82 -2.23 0.00 0.00 178.31 176.69 1mio h ILE 277 N -1.16 0.74 -0.16 1.41 2.04 -1.08 -1.66 117.51 117.64 1mio h ILE 277 Ca -0.09 0.00 -0.14 0.00 1.00 0.00 0.00 64.86 65.63 1mio h ILE 277 Cb 0.73 0.80 0.00 0.00 -0.74 0.00 0.00 36.82 37.61 1mio h ILE 277 CO 0.15 0.00 -0.43 0.24 0.00 0.00 0.00 178.15 178.11 1mio h MET 278 N 0.00 0.57 -0.90 2.37 2.86 -0.98 -2.38 114.93 116.47 1mio h MET 278 Ca 0.18 -0.40 0.06 0.00 -2.06 0.00 0.00 59.70 57.48 1mio h MET 278 Cb 0.76 0.07 -0.06 0.00 0.06 0.00 0.00 31.60 32.42 1mio h MET 278 CO -0.00 1.02 0.58 0.00 1.06 0.00 0.00 176.91 179.58 1mio h ALA 279 N 0.54 1.52 0.00 6.32 0.00 -0.10 -1.41 119.26 126.14 1mio h ALA 279 Ca -0.01 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.85 1mio h ALA 279 Cb 1.05 -0.26 -0.00 0.00 0.00 0.00 0.00 17.79 18.57 1mio h ALA 279 CO 0.09 0.34 -0.11 -0.07 0.00 0.00 0.00 179.25 179.51 1mio h LEU 280 N 1.02 0.00 0.00 0.00 4.07 -1.34 -2.95 115.31 116.10 1mio h LEU 280 Ca 0.39 0.00 -0.04 0.00 0.08 0.00 0.00 57.88 58.31 1mio h LEU 280 Cb 0.20 0.00 -0.01 0.00 1.08 0.00 0.00 40.66 41.94 1mio h LEU 280 CO -0.14 0.11 -0.50 0.28 -1.08 0.00 0.00 178.44 177.10 1mio h SER 281 N 0.00 0.00 -0.38 -0.43 0.02 -0.76 -3.17 113.55 108.83 1mio h SER 281 Ca -0.00 -0.15 0.11 0.00 -0.84 0.00 0.00 61.79 60.90 1mio h SER 281 Cb 0.52 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 63.04 1mio h SER 281 CO 0.01 0.85 0.38 1.05 -1.14 0.00 0.00 176.83 177.98 1mio h GLU 282 N -1.00 0.00 0.00 3.45 -0.00 -1.37 0.59 114.58 116.25 1mio h GLU 282 Ca -0.06 0.00 0.00 0.00 -0.00 0.00 0.00 59.36 59.30 1mio h GLU 282 Cb 0.57 0.00 0.00 0.00 -0.00 0.00 0.00 28.75 29.32 1mio h GLU 282 CO -0.04 0.00 0.00 0.00 -0.00 0.00 0.00 179.01 178.97 1mio n ALA 283 N -2.38 0.00 0.23 1.06 0.00 -1.11 -4.62 120.51 113.69 1mio n ALA 283 Ca 0.06 0.00 0.09 0.00 0.00 0.00 0.00 53.44 53.60 1mio n ALA 283 Cb 0.55 0.00 0.57 0.00 0.00 0.00 0.00 19.45 20.57 1mio n ALA 283 CO 0.00 0.00 0.00 1.79 0.00 0.00 0.00 177.50 179.29 1mio h THR 284 N 0.00 0.76 0.00 0.00 1.35 -1.54 -3.46 112.91 110.02 1mio h THR 284 Ca 0.00 -0.86 0.00 0.00 -0.55 0.00 0.00 66.41 65.00 1mio h THR 284 Cb 0.00 1.52 0.00 0.00 -1.73 0.00 0.00 68.15 67.94 1mio h THR 284 CO 0.00 0.21 0.00 0.61 -0.25 0.00 0.00 175.52 176.09 1mio n GLY 285 N -0.46 0.74 3.73 5.82 0.00 0.21 -5.03 105.19 110.20 1mio n GLY 285 Ca -0.01 -0.18 -0.42 0.00 0.00 0.00 0.00 46.02 45.41 1mio n GLY 285 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1mio s LYS 286 N -0.67 4.43 0.19 1.61 3.01 -1.25 -5.00 119.74 122.07 1mio s LYS 286 Ca 0.00 1.91 -0.30 0.00 -1.01 0.00 0.00 55.97 56.58 1mio s LYS 286 Cb 0.00 -3.26 -0.08 0.00 -1.01 0.00 0.00 37.83 33.48 1mio s LYS 286 CO 0.00 -0.22 1.13 -1.21 0.51 0.00 0.00 175.35 175.56 1mio s GLU 287 N 0.32 4.57 -0.25 1.68 8.01 -1.26 -4.57 118.70 127.20 1mio s GLU 287 Ca 0.57 1.78 -0.29 0.00 0.01 0.00 0.00 54.97 57.04 1mio s GLU 287 Cb -0.33 -3.26 0.01 0.00 -4.31 0.00 0.00 34.13 26.24 1mio s GLU 287 CO 0.34 0.04 1.02 0.08 0.01 0.00 0.00 175.26 176.75 1mio s VAL 288 N -0.28 4.67 0.85 2.63 1.01 -1.26 -4.91 120.40 123.11 1mio s VAL 288 Ca 0.50 1.93 -0.11 0.00 0.00 0.00 0.00 61.98 64.30 1mio s VAL 288 Cb -0.31 -4.31 0.10 0.00 0.00 0.00 0.00 36.38 31.87 1mio s VAL 288 CO 0.36 -0.22 1.09 -2.84 0.00 0.00 0.00 175.10 173.49 1mio s PRO 289 N 3.24 1.63 0.54 2.72 0.02 -1.26 -4.92 135.00 136.96 1mio s PRO 289 Ca 0.43 0.90 0.23 0.00 0.02 0.00 0.00 61.00 62.58 1mio s PRO 289 Cb -0.15 -1.85 1.40 0.00 0.02 0.00 0.00 34.50 33.93 1mio s PRO 289 CO 0.08 -2.01 2.06 0.00 -0.33 0.00 0.00 177.00 176.80 1mio h ALA 290 N -1.38 2.23 0.59 -1.55 0.00 -1.98 -2.50 119.26 114.67 1mio h ALA 290 Ca -0.48 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.39 1mio h ALA 290 Cb 1.27 0.02 0.01 0.00 0.00 0.00 0.00 17.79 19.09 1mio h ALA 290 CO 0.54 -0.39 -0.28 0.77 0.00 0.00 0.00 179.25 179.89 1mio h SER 291 N 0.00 -0.67 -0.75 0.00 0.02 -1.99 -1.23 113.55 108.93 1mio h SER 291 Ca 0.15 0.02 0.03 0.00 -0.84 0.00 0.00 61.79 61.15 1mio h SER 291 Cb 0.61 0.17 -0.04 0.00 0.14 0.00 0.00 62.40 63.28 1mio h SER 291 CO -0.00 -0.32 0.49 0.40 -1.14 0.00 0.00 176.83 176.26 1mio h ILE 292 N -1.11 1.12 -0.80 3.27 2.04 -1.91 0.16 117.51 120.28 1mio h ILE 292 Ca -0.08 -0.32 0.09 0.00 1.00 0.00 0.00 64.86 65.55 1mio h ILE 292 Cb 0.61 0.12 -0.05 0.00 -0.74 0.00 0.00 36.82 36.75 1mio h ILE 292 CO 0.13 0.17 0.53 -0.33 0.00 0.00 0.00 178.15 178.65 1mio h GLU 293 N 0.92 0.77 -0.20 2.37 5.08 -1.39 -0.29 114.58 121.84 1mio h GLU 293 Ca 0.30 -0.05 -0.15 0.00 -1.00 0.00 0.00 59.36 58.46 1mio h GLU 293 Cb 0.04 -0.17 0.00 0.00 0.50 0.00 0.00 28.75 29.12 1mio h GLU 293 CO -0.08 0.51 -0.45 1.49 -1.00 0.00 0.00 179.01 179.48 1mio h GLU 294 N 0.79 0.66 -0.80 2.33 4.81 0.53 -2.76 114.58 120.14 1mio h GLU 294 Ca 0.36 -0.44 0.06 0.00 -0.13 0.00 0.00 59.36 59.21 1mio h GLU 294 Cb 0.37 0.06 -0.06 0.00 0.63 0.00 0.00 28.75 29.76 1mio h GLU 294 CO -0.14 1.06 0.49 0.93 -0.73 0.00 0.00 179.01 180.62 1mio h GLU 295 N 0.35 0.87 0.28 1.92 5.08 -0.06 -0.23 114.58 122.78 1mio h GLU 295 Ca 0.00 -0.05 -0.01 0.00 -1.00 0.00 0.00 59.36 58.30 1mio h GLU 295 Cb 1.06 -0.20 -0.00 0.00 0.50 0.00 0.00 28.75 30.10 1mio h GLU 295 CO 0.10 0.58 -0.17 -0.09 -1.00 0.00 0.00 179.01 178.42 1mio h ARG 296 N 0.90 -0.42 -0.05 2.33 9.65 -1.16 -2.97 114.38 122.67 1mio h ARG 296 Ca 0.35 0.03 -0.04 0.00 -1.10 0.00 0.00 59.98 59.21 1mio h ARG 296 Cb 0.15 0.09 -0.01 0.00 -1.39 0.00 0.00 29.97 28.82 1mio h ARG 296 CO -0.17 -0.28 -0.17 0.78 2.80 0.00 0.00 179.97 182.93 1mio h GLY 297 N -0.43 0.08 2.00 2.80 0.00 -1.13 -0.68 103.07 105.70 1mio h GLY 297 Ca -0.03 -0.04 0.00 0.00 0.00 0.00 0.00 47.33 47.26 1mio h GLY 297 CO 0.02 0.04 0.00 -1.06 0.00 0.00 0.00 176.54 175.55 1mio n GLN 298 N -4.30 0.24 -0.06 4.80 6.02 -0.14 -0.40 117.38 123.53 1mio n GLN 298 Ca -0.02 0.24 -0.09 0.00 -0.01 0.00 0.00 57.00 57.13 1mio n GLN 298 Cb 0.26 -1.81 -0.08 0.00 1.02 0.00 0.00 30.24 29.63 1mio n GLN 298 CO 0.00 0.00 0.00 1.25 -1.01 0.00 0.00 177.06 177.30 1mio h LEU 299 N 0.00 0.00 -0.82 1.08 5.85 -1.22 -2.92 115.31 117.29 1mio h LEU 299 Ca 0.00 -0.59 0.10 0.00 0.84 0.00 0.00 57.88 58.22 1mio h LEU 299 Cb 0.67 0.00 -0.07 0.00 0.37 0.00 0.00 40.66 41.63 1mio h LEU 299 CO 0.00 0.81 0.46 0.40 -0.34 0.00 0.00 178.44 179.77 1mio h ILE 300 N -1.00 0.90 -0.44 4.05 5.03 -0.87 0.14 117.51 125.32 1mio h ILE 300 Ca -0.00 -0.27 -0.08 0.00 -0.12 0.00 0.00 64.86 64.40 1mio h ILE 300 Cb 0.61 0.06 -0.02 0.00 -3.03 0.00 0.00 36.82 34.44 1mio h ILE 300 CO -0.00 0.14 -0.03 -0.78 -0.68 0.00 0.00 178.15 176.79 1mio h ASP 301 N 0.77 0.71 -0.18 1.72 1.82 -0.86 -2.09 116.42 118.31 1mio h ASP 301 Ca 0.40 -0.18 -0.05 0.00 -0.39 0.00 0.00 57.03 56.81 1mio h ASP 301 Cb 0.37 -0.19 -0.00 0.00 0.68 0.00 0.00 39.33 40.19 1mio h ASP 301 CO -0.25 0.80 -0.08 0.25 -1.61 0.00 0.00 179.24 178.35 1mio h LEU 302 N 0.69 0.39 -1.48 2.28 5.85 -0.66 0.21 115.31 122.58 1mio h LEU 302 Ca 0.13 -0.41 0.16 0.00 0.84 0.00 0.00 57.88 58.61 1mio h LEU 302 Cb 0.47 -0.11 -0.06 0.00 0.37 0.00 0.00 40.66 41.34 1mio h LEU 302 CO 0.02 0.71 0.55 0.24 -0.34 0.00 0.00 178.44 179.62 1mio h MET 303 N 0.06 0.47 0.19 1.25 2.86 -0.72 0.59 114.93 119.64 1mio h MET 303 Ca 0.04 -0.03 -0.33 0.00 -2.06 0.00 0.00 59.70 57.32 1mio h MET 303 Cb 0.56 -0.11 0.01 0.00 0.06 0.00 0.00 31.60 32.13 1mio h MET 303 CO 0.03 0.31 -1.61 0.82 1.06 0.00 0.00 176.91 177.52 1mio h ILE 304 N 0.49 1.04 -0.01 -1.22 2.04 -1.31 -3.26 117.51 115.28 1mio h ILE 304 Ca 0.42 -2.53 -0.17 0.00 1.00 0.00 0.00 64.86 63.58 1mio h ILE 304 Cb 0.91 2.84 -0.02 0.00 -0.74 0.00 0.00 36.82 39.81 1mio h ILE 304 CO -0.16 0.82 -0.76 0.44 0.00 0.00 0.00 178.15 178.49 1mio h ASP 305 N 0.04 0.11 0.21 1.72 3.32 0.28 -2.77 116.42 119.33 1mio h ASP 305 Ca -0.31 -0.08 0.00 0.00 0.02 0.00 0.00 57.03 56.65 1mio h ASP 305 Cb 2.05 -0.03 0.00 0.00 0.22 0.00 0.00 39.33 41.57 1mio h ASP 305 CO 0.18 0.83 -0.12 0.00 -1.72 0.00 0.00 179.24 178.41 1mio n ALA 306 N -2.43 2.81 -0.32 3.45 0.00 0.12 -4.64 120.51 119.50 1mio n ALA 306 Ca -0.02 -0.34 0.25 0.00 0.00 0.00 0.00 53.44 53.33 1mio n ALA 306 Cb 0.73 -1.25 0.55 0.00 0.00 0.00 0.00 19.45 19.48 1mio n ALA 306 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 177.50 176.94 1mio h GLN 307 N 1.12 0.31 -0.94 0.00 -0.00 -1.53 -2.23 115.11 111.84 1mio h GLN 307 Ca 0.00 -0.02 0.06 0.00 -0.00 0.00 0.00 58.65 58.69 1mio h GLN 307 Cb 0.41 -0.07 -0.06 0.00 -0.00 0.00 0.00 27.48 27.76 1mio h GLN 307 CO 0.00 0.21 0.61 -0.56 -0.00 0.00 0.00 178.83 179.09 1mio h GLN 308 N 0.32 1.07 0.00 0.06 3.07 -1.85 -1.67 115.11 116.11 1mio h GLN 308 Ca 0.59 -0.06 0.00 0.00 0.09 0.00 0.00 58.65 59.27 1mio h GLN 308 Cb 1.64 -0.24 0.00 0.00 0.08 0.00 0.00 27.48 28.96 1mio h GLN 308 CO -0.25 0.71 0.00 1.88 0.09 0.00 0.00 178.83 181.26 1mio h TYR 309 N 1.11 0.00 -0.63 0.06 0.05 -1.78 -3.33 116.97 112.45 1mio h TYR 309 Ca 0.40 0.00 -0.36 0.00 0.05 0.00 0.00 58.73 58.82 1mio h TYR 309 Cb 0.15 0.00 -0.21 0.00 1.01 0.00 0.00 36.73 37.68 1mio h TYR 309 CO -0.00 0.00 0.14 1.28 -1.05 0.00 0.00 178.16 178.53 1mio n LEU 310 N -2.56 5.28 -3.91 3.88 4.77 -0.63 -4.84 117.00 118.99 1mio n LEU 310 Ca 0.05 -3.90 -0.23 0.00 -0.03 0.00 0.00 56.01 51.90 1mio n LEU 310 Cb 0.45 -0.70 -0.17 0.00 -2.33 0.00 0.00 43.42 40.67 1mio n LEU 310 CO 0.31 1.32 -0.43 -1.58 -1.33 0.00 0.00 177.39 175.68 1mio s GLN 311 N -3.37 1.21 -1.26 3.23 2.00 -1.23 -2.23 119.66 118.01 1mio s GLN 311 Ca 0.51 -0.19 0.00 0.00 -2.00 0.00 0.00 55.36 53.68 1mio s GLN 311 Cb 0.44 -1.21 0.00 0.00 0.80 0.00 0.00 33.01 33.04 1mio s GLN 311 CO 0.03 -0.14 0.00 0.41 -0.50 0.00 0.00 175.29 175.09 1mio n GLY 312 N 4.41 0.96 3.56 2.59 0.00 -1.10 -4.90 105.19 110.70 1mio n GLY 312 Ca -0.18 -0.42 -0.37 0.00 0.00 0.00 0.00 46.02 45.04 1mio n GLY 312 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1mio s LYS 313 N -3.47 3.87 -0.03 1.61 3.01 -1.26 -4.93 119.74 118.55 1mio s LYS 313 Ca 0.00 -0.36 -0.21 0.00 -1.01 0.00 0.00 55.97 54.39 1mio s LYS 313 Cb 0.00 -3.52 -0.05 0.00 -1.01 0.00 0.00 37.83 33.25 1mio s LYS 313 CO 0.00 -0.13 0.61 0.15 0.51 0.00 0.00 175.35 176.48 1mio s LYS 314 N 1.56 4.35 -0.02 1.68 1.02 -1.26 0.22 119.74 127.29 1mio s LYS 314 Ca 0.07 0.74 0.07 0.00 0.02 0.00 0.00 55.97 56.86 1mio s LYS 314 Cb -0.15 -3.37 -0.02 0.00 -0.52 0.00 0.00 37.83 33.77 1mio s LYS 314 CO 0.07 0.28 -0.22 0.08 -0.92 0.00 0.00 175.35 174.65 1mio s VAL 315 N 0.10 1.76 -0.21 3.17 1.01 0.68 0.56 120.40 127.47 1mio s VAL 315 Ca 0.32 -0.94 -0.09 0.00 0.00 0.00 0.00 61.98 61.26 1mio s VAL 315 Cb -0.18 -1.47 -0.05 0.00 0.00 0.00 0.00 36.38 34.68 1mio s VAL 315 CO 0.17 0.50 0.12 0.00 0.00 0.00 0.00 175.10 175.89 1mio s ALA 316 N -0.43 3.58 -0.10 5.51 0.00 -0.11 -0.10 121.76 130.10 1mio s ALA 316 Ca 0.06 -0.79 0.01 0.00 0.00 0.00 0.00 51.96 51.24 1mio s ALA 316 Cb -0.09 -2.16 0.02 0.00 0.00 0.00 0.00 23.12 20.88 1mio s ALA 316 CO -0.00 0.01 -0.12 -0.51 0.00 0.00 0.00 175.76 175.14 1mio s LEU 317 N 0.66 1.54 0.12 0.00 1.02 -0.07 -0.92 118.68 121.04 1mio s LEU 317 Ca 0.07 -0.35 0.08 0.00 0.02 0.00 0.00 54.13 53.95 1mio s LEU 317 Cb -0.12 -0.93 -0.04 0.00 0.02 0.00 0.00 46.19 45.12 1mio s LEU 317 CO 0.01 -0.02 -0.20 -0.76 0.02 0.00 0.00 176.35 175.40 1mio s LEU 318 N 1.10 2.33 0.00 1.79 1.02 -0.98 -0.93 118.68 123.01 1mio s LEU 318 Ca -0.06 -0.73 0.00 0.00 0.02 0.00 0.00 54.13 53.37 1mio s LEU 318 Cb -0.14 -0.86 0.00 0.00 0.02 0.00 0.00 46.19 45.21 1mio s LEU 318 CO -0.02 0.03 0.00 0.61 0.02 0.00 0.00 176.35 176.99 1mio n GLY 319 N 0.89 -0.61 3.95 -3.19 0.00 -0.81 -4.43 105.19 101.00 1mio n GLY 319 Ca -0.18 -0.56 -0.23 0.00 0.00 0.00 0.00 46.02 45.04 1mio n GLY 319 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1mio s ASP 320 N -4.00 6.30 0.08 1.61 1.01 -1.26 -3.97 116.67 116.44 1mio s ASP 320 Ca 0.00 0.10 -0.16 0.00 0.71 0.00 0.00 52.55 53.21 1mio s ASP 320 Cb 0.00 -1.86 -0.11 0.00 1.01 0.00 0.00 42.92 41.95 1mio s ASP 320 CO 0.00 -0.01 1.37 -0.65 0.21 0.00 0.00 175.17 176.09 1mio h PRO 321 N 1.61 0.64 -0.75 8.23 0.11 -1.95 -1.85 132.00 138.05 1mio h PRO 321 Ca -0.50 -0.38 -0.05 0.00 0.11 0.00 0.00 66.00 65.18 1mio h PRO 321 Cb 1.21 0.03 -0.03 0.00 0.11 0.00 0.00 31.00 32.33 1mio h PRO 321 CO 0.64 0.99 0.26 -0.44 -0.21 0.00 0.00 178.00 179.25 1mio h ASP 322 N 0.35 1.06 0.27 -2.05 3.32 -1.99 -0.61 116.42 116.77 1mio h ASP 322 Ca 0.02 -0.18 -0.34 0.00 0.02 0.00 0.00 57.03 56.55 1mio h ASP 322 Cb 0.92 -0.28 0.02 0.00 0.22 0.00 0.00 39.33 40.22 1mio h ASP 322 CO 0.08 0.96 -1.59 1.05 -1.72 0.00 0.00 179.24 178.02 1mio h GLU 323 N 1.10 0.45 -0.09 3.56 4.11 -1.92 -2.96 114.58 118.83 1mio h GLU 323 Ca 0.25 -0.77 -0.21 0.00 0.07 0.00 0.00 59.36 58.70 1mio h GLU 323 Cb 0.26 0.29 0.00 0.00 0.50 0.00 0.00 28.75 29.80 1mio h GLU 323 CO -0.01 1.36 -0.78 0.82 0.07 0.00 0.00 179.01 180.46 1mio h ILE 324 N 0.12 1.34 0.64 -1.06 1.08 -1.32 0.07 117.51 118.37 1mio h ILE 324 Ca -0.29 -2.12 -0.02 0.00 -0.39 0.00 0.00 64.86 62.04 1mio h ILE 324 Cb 2.12 2.11 -0.01 0.00 -3.07 0.00 0.00 36.82 37.97 1mio h ILE 324 CO 0.23 0.65 -0.43 0.40 -0.69 0.00 0.00 178.15 178.30 1mio h ILE 325 N 0.37 0.13 -0.49 -0.67 2.04 -1.20 0.11 117.51 117.79 1mio h ILE 325 Ca -0.05 0.00 -0.05 0.00 1.00 0.00 0.00 64.86 65.76 1mio h ILE 325 Cb 1.38 0.13 -0.02 0.00 -0.74 0.00 0.00 36.82 37.57 1mio h ILE 325 CO 0.14 0.00 0.10 0.00 0.00 0.00 0.00 178.15 178.40 1mio h ALA 326 N -0.81 0.65 -0.53 1.87 0.00 -1.59 -2.76 119.26 116.10 1mio h ALA 326 Ca -0.08 -0.22 -0.01 0.00 0.00 0.00 0.00 54.91 54.60 1mio h ALA 326 Cb 0.84 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 18.42 1mio h ALA 326 CO 0.05 0.36 0.30 1.25 0.00 0.00 0.00 179.25 181.21 1mio h LEU 327 N 0.68 0.63 -2.14 0.00 7.12 -0.91 -1.78 115.31 118.92 1mio h LEU 327 Ca 0.15 -0.04 -0.00 0.00 0.13 0.00 0.00 57.88 58.12 1mio h LEU 327 Cb 0.36 -0.16 -0.00 0.00 -0.53 0.00 0.00 40.66 40.33 1mio h LEU 327 CO 0.01 0.50 -0.01 0.28 -0.13 0.00 0.00 178.44 179.09 1mio h SER 328 N 0.72 0.00 -0.15 1.25 0.02 -0.50 -0.62 113.55 114.27 1mio h SER 328 Ca 0.19 0.00 -0.13 0.00 -0.84 0.00 0.00 61.79 61.00 1mio h SER 328 Cb 0.00 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.55 1mio h SER 328 CO -0.03 0.01 -0.43 0.50 -1.14 0.00 0.00 176.83 175.74 1mio h LYS 329 N 0.00 0.56 -0.19 3.45 3.11 -1.14 -2.57 116.57 119.78 1mio h LYS 329 Ca -0.00 -0.40 -0.01 0.00 -2.81 0.00 0.00 60.65 57.44 1mio h LYS 329 Cb 0.02 0.07 -0.01 0.00 -1.00 0.00 0.00 32.23 31.31 1mio h LYS 329 CO 0.00 1.02 0.09 0.35 -2.81 0.00 0.00 179.45 178.10 1mio h PHE 330 N 0.19 0.28 -0.80 1.91 3.57 -0.80 -0.16 116.94 121.12 1mio h PHE 330 Ca -0.01 -0.01 0.10 0.00 3.53 0.00 0.00 57.97 61.57 1mio h PHE 330 Cb 1.05 -0.09 -0.07 0.00 2.79 0.00 0.00 35.95 39.63 1mio h PHE 330 CO 0.10 0.29 0.45 0.82 -2.23 0.00 0.00 178.31 177.74 1mio h ILE 331 N 0.18 0.89 0.52 1.41 1.08 -1.14 0.36 117.51 120.82 1mio h ILE 331 Ca 0.07 -0.26 -0.03 0.00 -0.39 0.00 0.00 64.86 64.25 1mio h ILE 331 Cb 0.12 0.08 0.01 0.00 -3.07 0.00 0.00 36.82 33.95 1mio h ILE 331 CO -0.01 0.14 -0.25 0.40 -0.69 0.00 0.00 178.15 177.74 1mio h ILE 332 N 0.75 0.49 -0.99 -0.67 2.04 -1.22 -2.32 117.51 115.57 1mio h ILE 332 Ca 0.39 -0.05 0.28 0.00 1.00 0.00 0.00 64.86 66.47 1mio h ILE 332 Cb 0.38 0.51 -0.05 0.00 -0.74 0.00 0.00 36.82 36.91 1mio h ILE 332 CO -0.26 0.01 0.70 -0.33 0.00 0.00 0.00 178.15 178.27 1mio h GLU 333 N -0.73 0.11 0.00 2.37 5.08 0.56 -1.83 114.58 120.13 1mio h GLU 333 Ca -0.07 -0.01 -0.11 0.00 -1.00 0.00 0.00 59.36 58.17 1mio h GLU 333 Cb 0.55 -0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.76 1mio h GLU 333 CO 0.12 0.07 -0.54 -0.07 -1.00 0.00 0.00 179.01 177.59 1mio h LEU 334 N 0.11 0.00 0.00 1.33 3.38 -0.80 -3.47 115.31 115.86 1mio h LEU 334 Ca 0.49 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.46 1mio h LEU 334 Cb 1.76 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.51 1mio h LEU 334 CO -0.07 0.54 0.00 0.61 0.09 0.00 0.00 178.44 179.61 1mio n GLY 335 N 0.09 1.40 3.93 0.83 0.00 -0.69 -4.68 105.19 106.06 1mio n GLY 335 Ca -0.01 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.71 1mio n GLY 335 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1mio s ALA 336 N -1.18 2.32 -0.19 4.61 0.00 -0.89 -2.72 121.76 123.71 1mio s ALA 336 Ca 0.00 -1.09 0.01 0.00 0.00 0.00 0.00 51.96 50.88 1mio s ALA 336 Cb 0.00 -2.81 0.03 0.00 0.00 0.00 0.00 23.12 20.34 1mio s ALA 336 CO 0.00 -2.29 -0.17 0.42 0.00 0.00 0.00 175.76 173.73 1mio s ILE 337 N -3.83 1.94 -0.80 0.00 1.09 0.13 -4.09 121.20 115.65 1mio s ILE 337 Ca 0.72 -0.99 -0.25 0.00 -1.10 0.00 0.00 60.65 59.02 1mio s ILE 337 Cb -0.05 -1.83 -0.03 0.00 -1.06 0.00 0.00 42.46 39.48 1mio s ILE 337 CO 0.52 0.41 1.89 -2.84 -0.10 0.00 0.00 174.94 174.82 1mio s PRO 338 N 1.31 2.62 0.05 2.79 0.02 -1.26 -0.23 135.00 140.30 1mio s PRO 338 Ca 0.02 -0.00 0.01 0.00 0.02 0.00 0.00 61.00 61.05 1mio s PRO 338 Cb -0.14 -4.82 -0.26 0.00 0.02 0.00 0.00 34.50 29.30 1mio s PRO 338 CO -0.11 -3.10 1.01 -0.22 -0.33 0.00 0.00 177.00 174.25 1mio h LYS 339 N 12.50 0.17 -3.31 5.54 1.63 -0.84 -3.44 116.57 128.82 1mio h LYS 339 Ca -0.03 -0.29 -0.47 0.00 -0.85 0.00 0.00 60.65 59.02 1mio h LYS 339 Cb 1.06 0.11 -0.40 0.00 -0.60 0.00 0.00 32.23 32.40 1mio h LYS 339 CO 1.22 1.05 -0.76 0.71 -3.45 0.00 0.00 179.45 178.22 1mio s TYR 340 N -2.65 0.51 -0.28 1.91 2.02 -1.15 -0.57 117.35 117.15 1mio s TYR 340 Ca -0.05 -0.43 0.02 0.00 -0.37 0.00 0.00 57.07 56.25 1mio s TYR 340 Cb 0.08 -0.80 0.06 0.00 -0.40 0.00 0.00 41.96 40.91 1mio s TYR 340 CO 0.85 -0.50 -0.07 0.08 -1.57 0.00 0.00 175.55 174.35 1mio s VAL 341 N 2.03 2.32 0.01 0.71 1.01 0.07 -0.89 120.40 125.66 1mio s VAL 341 Ca 0.02 -1.70 0.06 0.00 0.00 0.00 0.00 61.98 60.35 1mio s VAL 341 Cb -0.16 -2.41 -0.02 0.00 0.00 0.00 0.00 36.38 33.80 1mio s VAL 341 CO -0.08 -0.12 -0.17 -0.69 0.00 0.00 0.00 175.10 174.03 1mio s VAL 342 N 1.10 1.39 -0.02 2.92 1.01 -0.11 -0.98 120.40 125.70 1mio s VAL 342 Ca -0.06 -0.90 0.03 0.00 0.00 0.00 0.00 61.98 61.05 1mio s VAL 342 Cb -0.20 -1.19 -0.00 0.00 0.00 0.00 0.00 36.38 34.99 1mio s VAL 342 CO -0.05 0.27 -0.12 0.42 0.00 0.00 0.00 175.10 175.62 1mio s THR 343 N -0.59 0.99 0.16 3.92 -4.23 -0.62 -1.93 115.64 113.35 1mio s THR 343 Ca 0.06 -0.50 -0.00 0.00 -1.18 0.00 0.00 61.69 60.07 1mio s THR 343 Cb -0.07 -0.85 -0.15 0.00 1.34 0.00 0.00 72.50 72.77 1mio s THR 343 CO 0.00 0.29 1.37 1.23 -0.54 0.00 0.00 174.62 176.98 1mio h GLY 344 N 6.16 0.32 -3.35 3.99 0.00 -1.49 0.83 103.07 109.53 1mio h GLY 344 Ca -0.33 -0.54 -0.50 0.00 0.00 0.00 0.00 47.33 45.96 1mio h GLY 344 CO 0.49 0.48 0.45 -1.08 0.00 0.00 0.00 176.54 176.88 1mio s THR 345 N -3.32 3.56 0.00 4.70 -1.32 -1.26 -4.09 115.64 113.92 1mio s THR 345 Ca -0.04 1.40 0.00 0.00 -1.21 0.00 0.00 61.69 61.84 1mio s THR 345 Cb 0.10 -3.83 0.00 0.00 -1.51 0.00 0.00 72.50 67.26 1mio s THR 345 CO 0.84 0.21 0.00 -2.65 -2.21 0.00 0.00 174.62 170.81 1mio n PRO 346 N 0.62 0.46 -0.06 7.08 -0.02 -1.26 -4.11 135.00 137.72 1mio n PRO 346 Ca 0.02 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.50 1mio n PRO 346 Cb 0.47 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 33.95 1mio n PRO 346 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1mio n GLY 347 N 3.78 0.44 0.25 -1.23 0.00 -1.26 -4.84 105.19 102.31 1mio n GLY 347 Ca 0.00 -1.19 -0.00 0.00 0.00 0.00 0.00 46.02 44.82 1mio n GLY 347 CO 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 173.32 172.99 1mio h MET 348 N 0.00 0.52 -0.87 1.61 2.86 -2.01 -3.21 114.93 113.83 1mio h MET 348 Ca 0.00 -0.03 0.11 0.00 -2.06 0.00 0.00 59.70 57.72 1mio h MET 348 Cb 0.00 -0.12 -0.08 0.00 0.06 0.00 0.00 31.60 31.46 1mio h MET 348 CO 0.00 0.34 0.51 -0.22 1.06 0.00 0.00 176.91 178.60 1mio h LYS 349 N 0.54 0.79 -0.04 1.72 3.64 -1.95 0.25 116.57 121.52 1mio h LYS 349 Ca 0.31 -0.05 0.03 0.00 -1.27 0.00 0.00 60.65 59.68 1mio h LYS 349 Cb 0.31 -0.18 -0.06 0.00 -0.41 0.00 0.00 32.23 31.89 1mio h LYS 349 CO -0.25 0.53 -0.42 0.35 -2.27 0.00 0.00 179.45 177.39 1mio h PHE 350 N 0.82 -1.18 -0.03 1.91 3.57 -1.88 -1.24 116.94 118.91 1mio h PHE 350 Ca 0.43 0.04 -0.01 0.00 3.53 0.00 0.00 57.97 61.97 1mio h PHE 350 Cb 0.44 0.52 -0.00 0.00 2.79 0.00 0.00 35.95 39.70 1mio h PHE 350 CO -0.05 -0.49 -0.01 -0.56 -2.23 0.00 0.00 178.31 174.97 1mio h GLN 351 N -0.55 0.06 0.00 1.11 -0.00 -1.17 -1.85 115.11 112.71 1mio h GLN 351 Ca 0.06 -0.02 0.00 0.00 -0.00 0.00 0.00 58.65 58.68 1mio h GLN 351 Cb 0.64 -0.00 0.00 0.00 -0.00 0.00 0.00 27.48 28.12 1mio h GLN 351 CO -0.34 0.41 0.00 0.36 -0.00 0.00 0.00 178.83 179.26 1mio n LYS 352 N -4.87 0.79 -0.01 0.06 2.85 -0.27 -1.51 118.16 115.20 1mio n LYS 352 Ca -0.08 0.00 -0.15 0.00 -1.05 0.00 0.00 58.31 57.03 1mio n LYS 352 Cb 0.21 -1.31 -0.14 0.00 -0.65 0.00 0.00 35.03 33.14 1mio n LYS 352 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 177.40 177.74 1mio n GLU 353 N -0.81 0.70 -0.09 -1.58 -0.58 -0.47 -4.00 120.64 113.81 1mio n GLU 353 Ca 0.12 0.27 -0.11 0.00 -0.42 0.00 0.00 57.16 57.02 1mio n GLU 353 Cb 0.05 -1.74 -0.04 0.00 -0.57 0.00 0.00 31.44 29.14 1mio n GLU 353 CO 0.00 0.00 0.00 0.82 -0.48 0.00 0.00 177.13 177.47 1mio h ILE 354 N 0.04 1.27 -0.91 -3.67 1.08 -1.12 -3.26 117.51 110.94 1mio h ILE 354 Ca -0.37 -1.02 0.13 0.00 -0.39 0.00 0.00 64.86 63.21 1mio h ILE 354 Cb 2.03 1.40 -0.07 0.00 -3.07 0.00 0.00 36.82 37.10 1mio h ILE 354 CO 0.08 0.32 0.59 0.44 -0.69 0.00 0.00 178.15 178.89 1mio h ASP 355 N 0.27 0.75 -1.81 1.72 5.19 -1.44 -0.03 116.42 121.06 1mio h ASP 355 Ca 0.07 0.04 -0.70 0.00 -0.62 0.00 0.00 57.03 55.82 1mio h ASP 355 Cb 0.50 -0.11 -0.33 0.00 0.18 0.00 0.00 39.33 39.56 1mio h ASP 355 CO 0.02 0.39 0.33 0.00 -3.12 0.00 0.00 179.24 176.86 1mio n ALA 356 N -2.41 5.92 0.00 3.45 0.00 -1.23 -1.69 120.51 124.55 1mio n ALA 356 Ca 0.17 -4.22 0.00 0.00 0.00 0.00 0.00 53.44 49.40 1mio n ALA 356 Cb 0.41 -1.40 0.00 0.00 0.00 0.00 0.00 19.45 18.46 1mio n ALA 356 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1mio n MET 357 N -0.51 0.41 0.34 0.00 0.00 -0.09 -4.51 117.12 112.77 1mio n MET 357 Ca 0.48 0.00 -0.14 0.00 0.00 0.00 0.00 57.70 58.04 1mio n MET 357 Cb 0.41 -0.70 -0.07 0.00 0.00 0.00 0.00 33.22 32.85 1mio n MET 357 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 175.97 175.90 1mio h LEU 358 N 0.00 -0.77 -0.69 3.17 3.38 -1.47 0.00 115.31 118.92 1mio h LEU 358 Ca 0.00 0.03 0.15 0.00 0.09 0.00 0.00 57.88 58.14 1mio h LEU 358 Cb 0.41 0.20 -0.11 0.00 0.09 0.00 0.00 40.66 41.25 1mio h LEU 358 CO 0.00 -0.39 0.11 0.00 0.09 0.00 0.00 178.44 178.25 1mio h ALA 359 N -1.26 0.82 -0.37 1.53 0.00 -1.52 0.25 119.26 118.72 1mio h ALA 359 Ca -0.09 0.18 0.08 0.00 0.00 0.00 0.00 54.91 55.07 1mio h ALA 359 Cb 0.70 0.27 -0.08 0.00 0.00 0.00 0.00 17.79 18.68 1mio h ALA 359 CO 0.15 -0.36 -0.20 1.49 0.00 0.00 0.00 179.25 180.33 1mio h GLU 360 N 0.21 -0.14 -0.03 0.00 4.57 -1.76 -2.51 114.58 114.92 1mio h GLU 360 Ca 0.38 0.01 0.00 0.00 -1.18 0.00 0.00 59.36 58.57 1mio h GLU 360 Cb 0.64 0.03 0.00 0.00 -0.16 0.00 0.00 28.75 29.26 1mio h GLU 360 CO -0.52 -0.09 0.00 0.00 -1.18 0.00 0.00 179.01 177.22 1mio n ALA 361 N -2.84 2.61 -3.15 2.92 0.00 0.09 -4.93 120.51 115.20 1mio n ALA 361 Ca 0.02 -0.31 -0.19 0.00 0.00 0.00 0.00 53.44 52.95 1mio n ALA 361 Cb 0.28 -1.29 0.05 0.00 0.00 0.00 0.00 19.45 18.49 1mio n ALA 361 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1mio n GLY 362 N 1.03 -0.30 3.84 0.00 0.00 0.67 -5.01 105.19 105.41 1mio n GLY 362 Ca 0.19 0.04 -0.38 0.00 0.00 0.00 0.00 46.02 45.87 1mio n GLY 362 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1mio s ILE 363 N -3.17 5.02 0.04 -0.61 1.01 -0.44 -5.01 121.20 118.04 1mio s ILE 363 Ca 0.37 0.85 -0.07 0.00 0.00 0.00 0.00 60.65 61.80 1mio s ILE 363 Cb -0.16 -3.72 -0.00 0.00 0.01 0.00 0.00 42.46 38.58 1mio s ILE 363 CO 0.46 0.58 0.14 -1.61 0.00 0.00 0.00 174.94 174.51 1mio s GLU 364 N -1.07 0.63 0.00 2.79 2.02 -1.26 -4.32 118.70 117.48 1mio s GLU 364 Ca 0.24 -0.69 0.00 0.00 0.02 0.00 0.00 54.97 54.54 1mio s GLU 364 Cb -0.17 0.25 0.00 0.00 0.10 0.00 0.00 34.13 34.32 1mio s GLU 364 CO 0.14 -0.17 0.00 0.41 0.02 0.00 0.00 175.26 175.66 1mio n GLY 365 N 0.76 2.85 3.72 -1.39 0.00 -1.26 -5.03 105.19 104.84 1mio n GLY 365 Ca -0.19 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.43 1mio n GLY 365 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1mio n SER 366 N 0.00 2.57 -4.48 1.61 7.64 -1.26 -5.00 113.62 114.70 1mio n SER 366 Ca 0.00 1.05 -0.34 0.00 1.01 0.00 0.00 58.87 60.59 1mio n SER 366 Cb 0.00 -1.53 -0.12 0.00 -1.01 0.00 0.00 64.21 61.55 1mio n SER 366 CO 0.00 0.00 0.00 -0.75 -3.01 0.00 0.00 175.04 171.28 1mio s LYS 367 N -2.49 3.66 -0.29 1.43 2.36 0.27 -4.99 119.74 119.69 1mio s LYS 367 Ca 0.65 -0.51 -0.06 0.00 -2.55 0.00 0.00 55.97 53.50 1mio s LYS 367 Cb -0.46 -3.00 0.01 0.00 -1.05 0.00 0.00 37.83 33.33 1mio s LYS 367 CO 0.54 0.14 0.06 0.08 1.55 0.00 0.00 175.35 177.73 1mio s VAL 368 N 0.64 3.76 -0.17 4.02 1.01 -1.26 -0.75 120.40 127.65 1mio s VAL 368 Ca -0.01 -0.79 -0.00 0.00 0.00 0.00 0.00 61.98 61.18 1mio s VAL 368 Cb -0.14 -2.95 0.04 0.00 0.00 0.00 0.00 36.38 33.32 1mio s VAL 368 CO 0.02 0.08 -0.07 -0.75 0.00 0.00 0.00 175.10 174.38 1mio s LYS 369 N 1.46 1.65 -0.03 2.72 2.47 -0.16 -5.00 119.74 122.86 1mio s LYS 369 Ca 0.02 -0.57 -0.13 0.00 -1.56 0.00 0.00 55.97 53.72 1mio s LYS 369 Cb -0.17 -2.07 -0.05 0.00 -1.46 0.00 0.00 37.83 34.07 1mio s LYS 369 CO 0.01 -0.40 0.36 0.54 0.16 0.00 0.00 175.35 176.02 1mio s VAL 370 N 1.57 5.13 -0.86 4.02 0.11 -1.26 -1.59 120.40 127.52 1mio s VAL 370 Ca 0.01 0.71 -0.04 0.00 -2.93 0.00 0.00 61.98 59.73 1mio s VAL 370 Cb -0.15 -3.65 -0.05 0.00 -1.53 0.00 0.00 36.38 31.00 1mio s VAL 370 CO -0.08 0.58 0.75 -0.62 -3.33 0.00 0.00 175.10 172.40 1mio n GLU 371 N 1.89 -2.39 -4.18 1.54 1.02 0.28 -4.91 120.64 113.90 1mio n GLU 371 Ca -0.15 0.70 -0.11 0.00 -0.02 0.00 0.00 57.16 57.58 1mio n GLU 371 Cb 0.53 -5.02 -0.10 0.00 -0.02 0.00 0.00 31.44 26.82 1mio n GLU 371 CO 0.00 0.00 0.00 0.20 1.18 0.00 0.00 177.13 178.51 1mio s GLY 372 N -3.44 0.86 0.19 0.62 0.00 -0.95 -4.94 107.32 99.66 1mio s GLY 372 Ca 0.31 -1.40 0.01 0.00 0.00 0.00 0.00 44.72 43.64 1mio s GLY 372 CO 0.59 -1.46 0.08 2.09 0.00 0.00 0.00 173.10 174.40 1mio n ASP 373 N -0.08 2.03 0.08 1.64 5.68 -1.26 -3.27 116.55 121.37 1mio n ASP 373 Ca -0.11 -1.72 -0.05 0.00 -0.50 0.00 0.00 54.79 52.41 1mio n ASP 373 Cb 0.61 0.05 0.11 0.00 -1.14 0.00 0.00 41.12 40.76 1mio n ASP 373 CO 0.00 0.00 0.00 -0.26 -1.33 0.00 0.00 177.20 175.61 1mio h PHE 374 N 0.81 0.30 -0.08 2.11 0.04 -1.38 -2.90 116.94 115.84 1mio h PHE 374 Ca -0.14 -0.12 -0.02 0.00 2.80 0.00 0.00 57.97 60.50 1mio h PHE 374 Cb 0.45 -0.05 -0.01 0.00 2.20 0.00 0.00 35.95 38.54 1mio h PHE 374 CO 0.00 0.79 -0.04 0.35 -0.60 0.00 0.00 178.31 178.81 1mio h PHE 375 N 0.17 0.11 0.51 -0.55 3.57 -1.75 -1.90 116.94 117.11 1mio h PHE 375 Ca -0.01 -0.00 -0.03 0.00 3.53 0.00 0.00 57.97 61.46 1mio h PHE 375 Cb 1.13 -0.03 0.01 0.00 2.79 0.00 0.00 35.95 39.84 1mio h PHE 375 CO 0.02 0.16 -0.25 -0.44 -2.23 0.00 0.00 178.31 175.57 1mio h ASP 376 N 0.11 -0.58 -0.41 0.41 5.19 -1.87 -2.52 116.42 116.75 1mio h ASP 376 Ca 0.03 0.02 0.08 0.00 -0.62 0.00 0.00 57.03 56.54 1mio h ASP 376 Cb 0.15 0.15 -0.02 0.00 0.18 0.00 0.00 39.33 39.79 1mio h ASP 376 CO 0.01 -0.23 0.28 1.62 -3.12 0.00 0.00 179.24 177.80 1mio h VAL 377 N -1.07 0.88 -0.41 -1.35 3.04 -1.31 -1.06 116.25 114.97 1mio h VAL 377 Ca -0.07 -0.06 -0.11 0.00 -1.01 0.00 0.00 66.70 65.45 1mio h VAL 377 Cb 0.53 0.69 -0.01 0.00 -2.01 0.00 0.00 31.29 30.49 1mio h VAL 377 CO 0.12 0.03 -0.16 -0.74 -1.01 0.00 0.00 177.57 175.81 1mio h HIS 378 N 0.18 0.95 -0.88 3.17 -0.00 -1.40 -1.92 115.15 115.25 1mio h HIS 378 Ca 0.19 -0.22 -0.03 0.00 -0.00 0.00 0.00 60.37 60.31 1mio h HIS 378 Cb 0.51 -0.22 -0.04 0.00 -0.00 0.00 0.00 27.41 27.66 1mio h HIS 378 CO -0.00 0.98 0.45 1.96 -0.00 0.00 0.00 177.93 181.32 1mio h GLN 379 N 0.64 1.25 0.45 5.26 4.20 -0.76 -2.15 115.11 124.00 1mio h GLN 379 Ca 0.10 -0.17 -0.01 0.00 0.06 0.00 0.00 58.65 58.63 1mio h GLN 379 Cb 0.71 -0.23 -0.02 0.00 0.30 0.00 0.00 27.48 28.24 1mio h GLN 379 CO 0.05 0.94 -0.36 -1.49 -0.67 0.00 0.00 178.83 177.30 1mio h TRP 380 N 1.25 -0.98 -0.97 2.96 6.55 -1.27 -1.92 115.95 121.56 1mio h TRP 380 Ca 0.31 0.00 0.27 0.00 0.95 0.00 0.00 58.89 60.42 1mio h TRP 380 Cb 0.07 0.37 -0.05 0.00 -0.86 0.00 0.00 29.16 28.70 1mio h TRP 380 CO 0.01 -0.53 0.69 0.82 -1.05 0.00 0.00 178.44 178.39 1mio h ILE 381 N -0.81 0.53 0.00 1.49 2.04 -1.20 0.12 117.51 119.68 1mio h ILE 381 Ca -0.04 -0.02 0.00 0.00 1.00 0.00 0.00 64.86 65.79 1mio h ILE 381 Cb 0.70 0.45 0.00 0.00 -0.74 0.00 0.00 36.82 37.23 1mio h ILE 381 CO -0.01 0.01 0.00 0.11 0.00 0.00 0.00 178.15 178.26 1mio h LYS 382 N 0.07 0.00 0.00 2.37 1.57 -0.68 -2.58 116.57 117.32 1mio h LYS 382 Ca 0.47 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.25 1mio h LYS 382 Cb 1.77 0.00 0.00 0.00 0.08 0.00 0.00 32.23 34.08 1mio h LYS 382 CO -0.05 0.00 -1.10 0.09 -0.57 0.00 0.00 179.45 177.83 1mio n ASN 383 N -2.87 0.88 -2.97 0.86 3.02 0.27 -4.88 115.26 109.58 1mio n ASN 383 Ca 0.04 -0.61 -0.03 0.00 -0.03 0.00 0.00 54.58 53.95 1mio n ASN 383 Cb 0.45 1.25 -0.00 0.00 -0.61 0.00 0.00 39.78 40.87 1mio n ASN 383 CO 0.00 0.00 0.00 -1.61 -2.62 0.00 0.00 177.26 173.03 1mio s GLU 384 N -2.76 0.96 0.16 3.52 0.41 -0.27 -5.11 118.70 115.63 1mio s GLU 384 Ca 0.02 -0.76 -0.32 0.00 -0.41 0.00 0.00 54.97 53.50 1mio s GLU 384 Cb 0.12 -0.03 -0.12 0.00 -1.78 0.00 0.00 34.13 32.31 1mio s GLU 384 CO 0.69 -1.27 1.71 0.41 -0.49 0.00 0.00 175.26 176.31 1mio n GLY 385 N 3.57 1.45 3.97 -1.39 0.00 -0.98 -4.21 105.19 107.59 1mio n GLY 385 Ca 0.15 0.66 -0.21 0.00 0.00 0.00 0.00 46.02 46.63 1mio n GLY 385 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1mio s VAL 386 N 1.56 4.39 -0.19 1.61 0.11 -1.26 -5.07 120.40 121.55 1mio s VAL 386 Ca 0.78 -0.81 0.22 0.00 -2.93 0.00 0.00 61.98 59.24 1mio s VAL 386 Cb -0.56 -3.56 -0.08 0.00 -1.53 0.00 0.00 36.38 30.65 1mio s VAL 386 CO 0.36 -0.28 0.91 0.47 -3.33 0.00 0.00 175.10 173.23 1mio n ASP 387 N -1.72 0.68 -3.83 3.54 8.00 0.19 -4.95 116.55 118.45 1mio n ASP 387 Ca -0.02 0.26 -0.11 0.00 0.71 0.00 0.00 54.79 55.64 1mio n ASP 387 Cb 0.58 0.74 -0.08 0.00 -0.02 0.00 0.00 41.12 42.34 1mio n ASP 387 CO 0.00 0.00 0.00 -0.22 -0.39 0.00 0.00 177.20 176.59 1mio s LEU 388 N -5.22 1.30 -0.08 0.64 2.96 -0.65 -4.50 118.68 113.13 1mio s LEU 388 Ca -0.02 -0.35 0.02 0.00 -0.22 0.00 0.00 54.13 53.56 1mio s LEU 388 Cb 0.10 1.02 0.01 0.00 0.50 0.00 0.00 46.19 47.82 1mio s LEU 388 CO 0.82 -0.57 -0.14 -0.22 -1.32 0.00 0.00 176.35 174.92 1mio s LEU 389 N -2.11 1.67 -0.12 -0.68 2.96 -0.18 -0.93 118.68 119.28 1mio s LEU 389 Ca -0.05 -0.36 0.02 0.00 -0.22 0.00 0.00 54.13 53.53 1mio s LEU 389 Cb -0.01 -0.95 0.01 0.00 0.50 0.00 0.00 46.19 45.75 1mio s LEU 389 CO -0.04 0.03 -0.17 -0.63 -1.32 0.00 0.00 176.35 174.21 1mio s ILE 390 N 0.81 1.69 0.06 6.68 1.01 -0.09 -0.94 121.20 130.41 1mio s ILE 390 Ca -0.11 -0.75 -0.27 0.00 0.00 0.00 0.00 60.65 59.51 1mio s ILE 390 Cb -0.15 -1.53 0.09 0.00 0.01 0.00 0.00 42.46 40.88 1mio s ILE 390 CO 0.02 0.48 0.93 -0.55 0.00 0.00 0.00 174.94 175.82 1mio s SER 391 N 0.98 -0.27 1.15 3.58 0.15 -1.04 -2.31 113.70 115.93 1mio s SER 391 Ca -0.06 -0.18 -0.19 0.00 0.70 0.00 0.00 55.95 56.23 1mio s SER 391 Cb -0.15 0.42 0.27 0.00 -1.71 0.00 0.00 66.02 64.85 1mio s SER 391 CO -0.03 -0.73 1.17 0.54 1.20 0.00 0.00 173.24 175.39 1mio s ASN 392 N -2.69 1.39 0.43 5.45 2.20 -0.68 -0.45 114.94 120.59 1mio s ASN 392 Ca 0.08 0.50 0.28 0.00 -0.94 0.00 0.00 52.86 52.78 1mio s ASN 392 Cb -0.01 -0.66 1.37 0.00 -2.00 0.00 0.00 41.25 39.95 1mio s ASN 392 CO -0.04 -3.82 1.65 0.74 -2.94 0.00 0.00 177.10 172.69 1mio h THR 393 N -2.38 0.20 0.00 0.54 2.02 -1.42 -2.42 112.91 109.44 1mio h THR 393 Ca -0.44 -0.05 0.00 0.00 0.77 0.00 0.00 66.41 66.69 1mio h THR 393 Cb 1.27 0.05 0.00 0.00 -1.74 0.00 0.00 68.15 67.73 1mio h THR 393 CO 0.33 0.03 0.00 -1.22 0.37 0.00 0.00 175.52 175.03 1mio n TYR 394 N -4.67 0.00 0.12 3.16 4.01 -1.26 -2.82 117.16 115.71 1mio n TYR 394 Ca 0.35 0.00 0.04 0.00 -0.16 0.00 0.00 57.90 58.12 1mio n TYR 394 Cb 1.33 0.00 0.44 0.00 -0.31 0.00 0.00 39.34 40.80 1mio n TYR 394 CO 0.00 0.00 0.00 0.78 -0.46 0.00 0.00 176.86 177.18 1mio h GLY 395 N 4.12 0.27 -0.18 2.72 0.00 -1.75 -3.14 103.07 105.10 1mio h GLY 395 Ca 0.00 -0.14 0.30 0.00 0.00 0.00 0.00 47.33 47.49 1mio h GLY 395 CO 0.00 0.13 0.76 0.07 0.00 0.00 0.00 176.54 177.50 1mio h LYS 396 N 0.24 0.11 -0.69 4.80 2.10 -1.77 -1.27 116.57 120.09 1mio h LYS 396 Ca 0.06 -0.01 -0.07 0.00 -2.00 0.00 0.00 60.65 58.63 1mio h LYS 396 Cb 0.24 -0.02 -0.03 0.00 -0.90 0.00 0.00 32.23 31.52 1mio h LYS 396 CO 0.01 0.07 0.17 0.74 -2.00 0.00 0.00 179.45 178.44 1mio h PHE 397 N 0.11 1.14 0.09 0.07 0.04 -1.83 -2.32 116.94 114.24 1mio h PHE 397 Ca 0.54 -0.13 -0.00 0.00 2.80 0.00 0.00 57.97 61.18 1mio h PHE 397 Cb 1.93 -0.32 0.00 0.00 2.20 0.00 0.00 35.95 39.76 1mio h PHE 397 CO -0.00 0.93 -0.04 0.82 -0.60 0.00 0.00 178.31 179.42 1mio h ILE 398 N 1.04 1.12 0.00 -0.55 2.04 -1.47 -3.04 117.51 116.64 1mio h ILE 398 Ca 0.22 -1.36 0.00 0.00 1.00 0.00 0.00 64.86 64.72 1mio h ILE 398 Cb 0.36 1.91 0.00 0.00 -0.74 0.00 0.00 36.82 38.35 1mio h ILE 398 CO 0.00 0.30 0.55 0.00 0.00 0.00 0.00 178.15 179.00 1mio h ALA 399 N -0.09 1.52 0.00 1.87 0.00 -1.50 0.17 119.26 121.23 1mio h ALA 399 Ca -0.01 0.00 -0.06 0.00 0.00 0.00 0.00 54.91 54.84 1mio h ALA 399 Cb 0.59 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.37 1mio h ALA 399 CO 0.02 -0.52 -1.94 -2.13 0.00 0.00 0.00 179.25 174.68 1mio n ARG 400 N -2.60 0.67 -0.06 0.00 0.00 -0.88 -1.84 116.66 111.95 1mio n ARG 400 Ca -0.01 -0.15 -0.13 0.00 -0.00 0.00 0.00 57.85 57.56 1mio n ARG 400 Cb 0.58 -1.46 -0.12 0.00 0.00 0.00 0.00 32.46 31.46 1mio n ARG 400 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.63 179.12 1mio h GLU 401 N 0.00 -0.00 -4.50 -0.14 4.57 -0.92 -3.39 114.58 110.20 1mio h GLU 401 Ca -0.08 0.00 -0.72 0.00 -1.18 0.00 0.00 59.36 57.38 1mio h GLU 401 Cb 1.09 0.00 -0.22 0.00 -0.16 0.00 0.00 28.75 29.46 1mio h GLU 401 CO 0.00 0.89 -0.44 -1.21 -1.18 0.00 0.00 179.01 177.07 1mio s GLU 402 N -2.41 2.95 -0.72 1.92 0.41 -0.30 -4.99 118.70 115.54 1mio s GLU 402 Ca -0.18 -1.05 -0.26 0.00 -0.41 0.00 0.00 54.97 53.08 1mio s GLU 402 Cb -0.02 -3.95 -0.07 0.00 -1.78 0.00 0.00 34.13 28.31 1mio s GLU 402 CO 0.65 -0.76 2.12 1.21 -0.49 0.00 0.00 175.26 177.99 1mio s ASN 403 N 1.71 4.75 -0.12 -0.19 3.04 -1.26 -4.13 114.94 118.74 1mio s ASN 403 Ca 0.05 0.08 -0.02 0.00 0.04 0.00 0.00 52.86 53.01 1mio s ASN 403 Cb -0.19 -2.54 -0.03 0.00 -1.54 0.00 0.00 41.25 36.95 1mio s ASN 403 CO 0.09 -2.94 -0.05 -0.63 -3.04 0.00 0.00 177.10 170.53 1mio s ILE 404 N 11.32 3.83 0.12 -5.21 1.01 -0.77 -5.03 121.20 126.47 1mio s ILE 404 Ca 0.80 -0.40 -0.31 0.00 0.00 0.00 0.00 60.65 60.73 1mio s ILE 404 Cb -0.12 -2.63 -0.10 0.00 0.01 0.00 0.00 42.46 39.63 1mio s ILE 404 CO 0.12 0.54 1.78 -2.84 0.00 0.00 0.00 174.94 174.54 1mio s PRO 405 N -0.18 4.15 -0.10 2.79 0.02 -1.26 -4.81 135.00 135.61 1mio s PRO 405 Ca 0.03 2.54 0.01 0.00 0.02 0.00 0.00 61.00 63.60 1mio s PRO 405 Cb -0.13 -3.55 -0.02 0.00 0.02 0.00 0.00 34.50 30.82 1mio s PRO 405 CO 0.03 -0.81 -0.15 0.12 -0.33 0.00 0.00 177.00 175.86 1mio s PHE 406 N 2.58 2.75 -0.29 6.54 5.36 -1.26 -1.01 117.98 132.65 1mio s PHE 406 Ca 0.79 -0.52 -0.01 0.00 -0.96 0.00 0.00 56.93 56.22 1mio s PHE 406 Cb -0.45 -1.76 0.05 0.00 -0.34 0.00 0.00 43.02 40.52 1mio s PHE 406 CO 0.35 -0.11 -0.02 0.08 -1.46 0.00 0.00 175.22 174.07 1mio s VAL 407 N 0.01 2.90 0.04 3.12 1.01 -0.11 -4.95 120.40 122.41 1mio s VAL 407 Ca -0.05 -1.38 -0.31 0.00 0.00 0.00 0.00 61.98 60.25 1mio s VAL 407 Cb -0.14 -2.65 -0.06 0.00 0.00 0.00 0.00 36.38 33.52 1mio s VAL 407 CO 0.04 -0.07 1.42 -0.13 0.00 0.00 0.00 175.10 176.36 1mio s ARG 408 N 1.24 4.29 -0.11 2.72 0.52 -1.26 -2.49 118.95 123.87 1mio s ARG 408 Ca -0.05 2.03 -0.07 0.00 -0.52 0.00 0.00 55.73 57.11 1mio s ARG 408 Cb -0.20 -3.48 0.04 0.00 0.52 0.00 0.00 34.95 31.83 1mio s ARG 408 CO -0.02 -0.55 0.27 0.12 0.02 0.00 0.00 175.30 175.15 1mio s PHE 409 N 2.03 -0.34 0.00 -0.53 5.36 0.40 -4.89 117.98 120.02 1mio s PHE 409 Ca 0.65 0.81 0.00 0.00 -0.96 0.00 0.00 56.93 57.43 1mio s PHE 409 Cb -0.34 0.09 0.00 0.00 -0.34 0.00 0.00 43.02 42.43 1mio s PHE 409 CO 0.28 -0.21 0.00 0.41 -1.46 0.00 0.00 175.22 174.24 1mio n GLY 410 N 3.74 -0.04 3.09 13.12 0.00 -1.26 -1.69 105.19 122.15 1mio n GLY 410 Ca -0.20 -2.21 -0.27 0.00 0.00 0.00 0.00 46.02 43.34 1mio n GLY 410 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1mio s PHE 411 N 0.00 1.82 -0.15 1.61 5.36 -1.26 -4.09 117.98 121.27 1mio s PHE 411 Ca 0.00 -0.70 -0.06 0.00 -0.96 0.00 0.00 56.93 55.21 1mio s PHE 411 Cb 0.00 -1.28 -0.04 0.00 -0.34 0.00 0.00 43.02 41.36 1mio s PHE 411 CO 0.00 -0.32 0.06 -1.25 -1.46 0.00 0.00 175.22 172.25 1mio s PRO 412 N 0.53 3.68 -0.27 10.12 0.04 -1.26 -4.86 135.00 142.99 1mio s PRO 412 Ca -0.16 -0.32 -0.01 0.00 0.04 0.00 0.00 61.00 60.55 1mio s PRO 412 Cb -0.16 -3.12 0.04 0.00 0.04 0.00 0.00 34.50 31.30 1mio s PRO 412 CO 0.05 0.45 -0.06 0.42 0.04 0.00 0.00 177.00 177.90 1mio s ILE 413 N -0.13 2.72 -0.29 0.56 1.01 -1.26 -1.10 121.20 122.71 1mio s ILE 413 Ca 0.07 -1.28 0.11 0.00 0.00 0.00 0.00 60.65 59.56 1mio s ILE 413 Cb -0.12 -2.48 0.47 0.00 0.01 0.00 0.00 42.46 40.34 1mio s ILE 413 CO 0.01 0.06 1.16 0.23 0.00 0.00 0.00 174.94 176.40 1mio n MET 414 N 4.60 3.03 0.00 2.79 2.81 -1.26 -4.19 117.12 124.89 1mio n MET 414 Ca -0.15 -3.99 0.00 0.00 -1.81 0.00 0.00 57.70 51.75 1mio n MET 414 Cb 0.45 -2.07 0.00 0.00 -0.71 0.00 0.00 33.22 30.89 1mio n MET 414 CO 0.00 0.00 0.00 -3.47 1.51 0.00 0.00 175.97 174.01 1mio n ASP 415 N -0.64 0.23 -4.72 7.83 -0.08 -1.26 -4.87 116.55 113.02 1mio n ASP 415 Ca 0.33 0.00 -0.23 0.00 -1.51 0.00 0.00 54.79 53.38 1mio n ASP 415 Cb 0.90 0.00 -0.06 0.00 2.34 0.00 0.00 41.12 44.30 1mio n ASP 415 CO 0.00 0.00 0.00 -0.13 0.12 0.00 0.00 177.20 177.19 1mio s ARG 416 N -1.85 2.47 -0.14 -0.67 1.81 -1.26 -5.13 118.95 114.17 1mio s ARG 416 Ca 0.00 -1.38 -0.04 0.00 -1.72 0.00 0.00 55.73 52.59 1mio s ARG 416 Cb 0.00 -2.27 -0.03 0.00 -0.45 0.00 0.00 34.95 32.20 1mio s ARG 416 CO 0.00 0.27 -0.01 0.71 -0.68 0.00 0.00 175.30 175.59 1mio s TYR 417 N -2.32 3.09 0.00 -0.53 1.51 -1.26 -4.56 117.35 113.28 1mio s TYR 417 Ca 0.34 -0.12 0.00 0.00 -1.01 0.00 0.00 57.07 56.28 1mio s TYR 417 Cb -0.05 -1.94 0.00 0.00 -0.11 0.00 0.00 41.96 39.86 1mio s TYR 417 CO 0.22 0.11 0.00 0.41 -1.11 0.00 0.00 175.55 175.18 1mio n GLY 418 N 3.22 0.44 0.08 0.71 0.00 -1.26 -4.97 105.19 103.40 1mio n GLY 418 Ca -0.17 0.00 0.09 0.00 0.00 0.00 0.00 46.02 45.94 1mio n GLY 418 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 173.32 170.93 1mio n HIS 419 N -1.52 0.46 1.24 1.61 1.44 -1.26 -1.78 115.22 115.42 1mio n HIS 419 Ca 0.00 0.19 0.13 0.00 -2.01 0.00 0.00 57.72 56.03 1mio n HIS 419 Cb 0.00 -0.81 0.38 0.00 0.12 0.00 0.00 29.99 29.68 1mio n HIS 419 CO 0.00 0.00 0.00 2.48 -2.81 0.00 0.00 176.34 176.01 1mio n TYR 420 N -1.93 0.07 0.86 -1.40 0.18 -1.26 -3.43 117.16 110.25 1mio n TYR 420 Ca 0.02 -0.04 0.10 0.00 1.88 0.00 0.00 57.90 59.86 1mio n TYR 420 Cb 0.18 0.00 0.03 0.00 -0.38 0.00 0.00 39.34 39.17 1mio n TYR 420 CO 0.00 0.00 0.00 0.66 -2.08 0.00 0.00 176.86 175.44 1mio n TYR 421 N 0.58 0.00 -3.71 -3.48 4.01 -0.73 -3.82 117.16 110.01 1mio n TYR 421 Ca 0.17 0.00 -0.36 0.00 -0.16 0.00 0.00 57.90 57.55 1mio n TYR 421 Cb 0.43 0.00 -0.07 0.00 -0.31 0.00 0.00 39.34 39.39 1mio n TYR 421 CO 0.00 0.00 0.00 -0.80 -0.46 0.00 0.00 176.86 175.60 1mio s ASN 422 N -1.99 6.38 0.58 7.72 0.01 -1.22 -4.94 114.94 121.48 1mio s ASN 422 Ca 0.19 0.45 -0.16 0.00 -0.71 0.00 0.00 52.86 52.63 1mio s ASN 422 Cb 0.16 -2.12 -0.04 0.00 0.41 0.00 0.00 41.25 39.66 1mio s ASN 422 CO 0.39 0.25 1.05 -2.16 -1.51 0.00 0.00 177.10 175.12 1mio s PRO 423 N -0.21 3.43 0.00 -0.60 0.04 -1.26 -4.65 135.00 131.75 1mio s PRO 423 Ca 0.14 1.17 0.01 0.00 0.04 0.00 0.00 61.00 62.36 1mio s PRO 423 Cb -0.12 -2.05 0.00 0.00 0.04 0.00 0.00 34.50 32.37 1mio s PRO 423 CO 0.03 -0.72 0.39 1.63 0.04 0.00 0.00 177.00 178.37 1mio n LYS 424 N -1.93 1.54 -4.02 4.56 5.02 -1.26 -4.24 118.16 117.82 1mio n LYS 424 Ca 0.08 -0.40 -0.23 0.00 -2.02 0.00 0.00 58.31 55.75 1mio n LYS 424 Cb 0.53 -0.88 -0.03 0.00 -0.02 0.00 0.00 35.03 34.63 1mio n LYS 424 CO 0.00 0.00 0.00 0.14 -0.52 0.00 0.00 177.40 177.02 1mio s VAL 425 N -0.43 4.95 0.00 -0.18 -7.23 -1.26 -3.99 120.40 112.26 1mio s VAL 425 Ca 0.01 -1.04 0.00 0.00 -1.81 0.00 0.00 61.98 59.14 1mio s VAL 425 Cb 0.01 -3.63 0.00 0.00 0.56 0.00 0.00 36.38 33.32 1mio s VAL 425 CO 0.03 -0.25 0.00 0.61 -0.31 0.00 0.00 175.10 175.18 1mio n GLY 426 N -1.00 -2.36 0.10 2.32 0.00 -0.76 -1.92 105.19 101.58 1mio n GLY 426 Ca -0.08 -1.56 -0.04 0.00 0.00 0.00 0.00 46.02 44.33 1mio n GLY 426 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 173.32 172.35 1mio h TYR 427 N 0.00 0.03 -0.31 1.61 0.05 -1.89 -1.81 116.97 114.65 1mio h TYR 427 Ca 0.00 -0.02 -0.08 0.00 0.05 0.00 0.00 58.73 58.68 1mio h TYR 427 Cb 0.00 -0.00 -0.01 0.00 1.01 0.00 0.00 36.73 37.73 1mio h TYR 427 CO 0.00 0.81 -0.12 0.87 -1.05 0.00 0.00 178.16 178.67 1mio h LYS 428 N 0.01 0.62 -0.19 4.88 1.79 -1.87 0.68 116.57 122.49 1mio h LYS 428 Ca -0.01 -0.26 -0.03 0.00 -2.18 0.00 0.00 60.65 58.16 1mio h LYS 428 Cb 1.42 -0.02 -0.01 0.00 -1.58 0.00 0.00 32.23 32.04 1mio h LYS 428 CO 0.11 0.84 -0.01 0.78 -1.08 0.00 0.00 179.45 180.09 1mio h GLY 429 N 0.38 0.37 1.30 3.86 0.00 -1.39 -2.49 103.07 105.10 1mio h GLY 429 Ca 0.07 -0.28 -0.02 0.00 0.00 0.00 0.00 47.33 47.11 1mio h GLY 429 CO 0.04 0.25 0.34 0.00 0.00 0.00 0.00 176.54 177.17 1mio h ALA 430 N 0.77 1.37 -0.48 3.60 0.00 -1.29 -1.25 119.26 121.98 1mio h ALA 430 Ca 0.05 -0.11 -0.00 0.00 0.00 0.00 0.00 54.91 54.85 1mio h ALA 430 Cb 0.40 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.90 1mio h ALA 430 CO 0.01 0.51 0.30 0.82 0.00 0.00 0.00 179.25 180.89 1mio h ILE 431 N 0.92 1.14 0.00 0.00 2.04 -0.75 -1.38 117.51 119.48 1mio h ILE 431 Ca 0.23 -0.30 -0.04 0.00 1.00 0.00 0.00 64.86 65.75 1mio h ILE 431 Cb 0.05 0.47 -0.01 0.00 -0.74 0.00 0.00 36.82 36.60 1mio h ILE 431 CO -0.03 0.14 -0.21 0.03 0.00 0.00 0.00 178.15 178.08 1mio h ARG 432 N 0.65 0.00 0.17 2.37 3.08 -0.93 -0.99 114.38 118.73 1mio h ARG 432 Ca 0.17 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 60.22 1mio h ARG 432 Cb -0.03 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.02 1mio h ARG 432 CO -0.03 0.21 -0.08 -0.07 -1.07 0.00 0.00 179.97 178.92 1mio h LEU 433 N 0.00 -0.19 -0.69 3.04 3.38 -0.65 -2.65 115.31 117.56 1mio h LEU 433 Ca -0.00 -0.27 0.15 0.00 0.09 0.00 0.00 57.88 57.84 1mio h LEU 433 Cb 0.47 0.05 -0.12 0.00 0.09 0.00 0.00 40.66 41.14 1mio h LEU 433 CO 0.03 0.37 -0.09 0.58 0.09 0.00 0.00 178.44 179.41 1mio h VAL 434 N -0.96 0.36 -0.42 1.22 2.07 -1.06 0.34 116.25 117.79 1mio h VAL 434 Ca -0.02 -0.02 0.06 0.00 0.82 0.00 0.00 66.70 67.54 1mio h VAL 434 Cb 0.45 0.31 -0.06 0.00 -1.52 0.00 0.00 31.29 30.47 1mio h VAL 434 CO 0.04 0.01 0.10 -0.08 0.02 0.00 0.00 177.57 177.65 1mio h GLU 435 N 0.05 0.23 0.00 1.57 4.81 -1.27 -0.38 114.58 119.58 1mio h GLU 435 Ca 0.35 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.57 1mio h GLU 435 Cb 0.57 -0.05 0.00 0.00 0.63 0.00 0.00 28.75 29.90 1mio h GLU 435 CO -0.66 0.15 -0.11 0.93 -0.73 0.00 0.00 179.01 178.59 1mio h GLU 436 N 0.23 0.00 0.02 1.92 4.39 -0.61 -2.08 114.58 118.45 1mio h GLU 436 Ca 0.20 0.00 -0.00 0.00 0.34 0.00 0.00 59.36 59.90 1mio h GLU 436 Cb 0.24 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.89 1mio h GLU 436 CO -0.26 0.00 -0.01 0.82 -1.16 0.00 0.00 179.01 178.41 1mio h ILE 437 N 0.00 1.51 -0.87 3.13 2.04 -0.96 -2.50 117.51 119.86 1mio h ILE 437 Ca 0.00 -1.76 0.10 0.00 1.00 0.00 0.00 64.86 64.19 1mio h ILE 437 Cb 0.96 2.68 -0.07 0.00 -0.74 0.00 0.00 36.82 39.64 1mio h ILE 437 CO 0.00 0.44 0.51 0.74 0.00 0.00 0.00 178.15 179.84 1mio h THR 438 N -0.80 0.92 -0.28 -0.27 2.02 -0.98 -3.03 112.91 110.49 1mio h THR 438 Ca -0.00 -0.29 -0.16 0.00 0.77 0.00 0.00 66.41 66.72 1mio h THR 438 Cb 0.74 -0.00 -0.00 0.00 -1.74 0.00 0.00 68.15 67.15 1mio h THR 438 CO 0.00 0.16 -0.46 0.78 0.37 0.00 0.00 175.52 176.37 1mio h ASN 439 N 0.85 0.89 0.46 4.18 -0.26 -1.42 -1.78 115.58 118.50 1mio h ASN 439 Ca 0.42 -0.52 -0.05 0.00 -0.56 0.00 0.00 56.30 55.58 1mio h ASN 439 Cb 0.37 -0.25 -0.01 0.00 -1.06 0.00 0.00 38.32 37.37 1mio h ASN 439 CO -0.25 1.24 -0.26 -0.37 -1.06 0.00 0.00 177.43 176.74 1mio h VAL 440 N 0.56 0.90 0.36 2.81 -1.51 -1.33 0.24 116.25 118.28 1mio h VAL 440 Ca 0.02 -0.98 -0.02 0.00 -1.23 0.00 0.00 66.70 64.49 1mio h VAL 440 Cb 1.06 1.58 0.00 0.00 -2.13 0.00 0.00 31.29 31.80 1mio h VAL 440 CO 0.11 0.25 -0.17 0.40 -1.23 0.00 0.00 177.57 176.93 1mio h ILE 441 N 0.00 0.17 -0.20 7.19 2.04 -1.53 -2.65 117.51 122.52 1mio h ILE 441 Ca -0.00 -0.70 -0.01 0.00 1.00 0.00 0.00 64.86 65.15 1mio h ILE 441 Cb 0.56 0.28 -0.01 0.00 -0.74 0.00 0.00 36.82 36.91 1mio h ILE 441 CO 0.03 0.04 0.10 -0.07 0.00 0.00 0.00 178.15 178.25 1mio h LEU 442 N -1.08 0.24 0.16 1.44 3.38 -1.19 -1.39 115.31 116.87 1mio h LEU 442 Ca -0.05 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.91 1mio h LEU 442 Cb 0.44 -0.06 -0.02 0.00 0.09 0.00 0.00 40.66 41.11 1mio h LEU 442 CO 0.08 0.21 -0.16 0.44 0.09 0.00 0.00 178.44 179.10 1mio h ASP 443 N 0.28 -0.44 -0.65 -0.43 5.19 -0.61 -1.39 116.42 118.38 1mio h ASP 443 Ca 0.07 0.04 -0.03 0.00 -0.62 0.00 0.00 57.03 56.49 1mio h ASP 443 Cb 0.03 0.15 -0.03 0.00 0.18 0.00 0.00 39.33 39.67 1mio h ASP 443 CO -0.01 -0.25 0.27 0.50 -3.12 0.00 0.00 179.24 176.63 1mio h LYS 444 N -0.36 0.96 0.38 3.56 3.64 -0.91 -2.74 116.57 121.12 1mio h LYS 444 Ca 0.01 -0.17 -0.01 0.00 -1.27 0.00 0.00 60.65 59.21 1mio h LYS 444 Cb 0.34 -0.16 -0.01 0.00 -0.41 0.00 0.00 32.23 31.99 1mio h LYS 444 CO -0.05 0.80 -0.30 0.82 -2.27 0.00 0.00 179.45 178.45 1mio h ILE 445 N 0.91 0.37 0.00 2.00 2.04 -1.22 0.30 117.51 121.91 1mio h ILE 445 Ca 0.22 0.00 0.00 0.00 1.00 0.00 0.00 64.86 66.08 1mio h ILE 445 Cb 0.19 0.37 0.00 0.00 -0.74 0.00 0.00 36.82 36.63 1mio h ILE 445 CO -0.02 0.00 0.00 -0.62 0.00 0.00 0.00 178.15 177.51 1mio n GLU 446 N -5.43 0.02 -0.06 2.37 1.02 -0.53 -1.56 120.64 116.47 1mio n GLU 446 Ca -0.10 0.30 -0.17 0.00 -0.02 0.00 0.00 57.16 57.17 1mio n GLU 446 Cb 0.33 -1.50 -0.14 0.00 -0.02 0.00 0.00 31.44 30.11 1mio n GLU 446 CO 0.00 0.00 0.00 -2.13 1.18 0.00 0.00 177.13 176.18 1mio n ARG 447 N -1.48 0.69 0.09 3.49 0.63 -0.97 -4.57 116.66 114.54 1mio n ARG 447 Ca 0.03 0.19 -0.04 0.00 -0.92 0.00 0.00 57.85 57.11 1mio n ARG 447 Cb 0.13 -1.63 -0.07 0.00 0.45 0.00 0.00 32.46 31.34 1mio n ARG 447 CO 0.00 0.00 0.00 0.93 -2.51 0.00 0.00 177.63 176.05 1mio h GLU 448 N 0.03 0.00 -7.32 -0.14 3.07 0.10 -3.48 114.58 106.84 1mio h GLU 448 Ca -0.47 0.00 -0.51 0.00 -0.50 0.00 0.00 59.36 57.88 1mio h GLU 448 Cb 2.02 0.00 0.13 0.00 -0.84 0.00 0.00 28.75 30.06 1mio h GLU 448 CO 0.02 0.81 0.31 0.00 -1.40 0.00 0.00 179.01 178.75 1mio s THR 450 N -2.92 4.06 0.02 0.00 2.01 -1.26 -4.96 115.64 112.58 1mio s THR 450 Ca 0.61 1.63 -0.02 0.00 0.31 0.00 0.00 61.69 64.22 1mio s THR 450 Cb -0.17 -4.04 0.00 0.00 0.01 0.00 0.00 72.50 68.30 1mio s THR 450 CO 0.56 0.21 0.14 1.21 -0.69 0.00 0.00 174.62 176.06 1mio n GLU 451 N 3.05 -0.03 0.14 4.92 4.07 -1.26 -0.67 120.64 130.86 1mio n GLU 451 Ca 0.05 0.14 0.13 0.00 -0.06 0.00 0.00 57.16 57.42 1mio n GLU 451 Cb 0.47 -0.21 0.40 0.00 -0.06 0.00 0.00 31.44 32.04 1mio n GLU 451 CO 0.00 0.00 0.00 1.05 -0.06 0.00 0.00 177.13 178.12 1mio h GLU 452 N 0.00 0.00 -0.26 5.31 -0.00 -2.06 -3.05 114.58 114.53 1mio h GLU 452 Ca 0.02 0.00 -0.08 0.00 -0.00 0.00 0.00 59.36 59.30 1mio h GLU 452 Cb 0.04 0.00 -0.05 0.00 -0.00 0.00 0.00 28.75 28.74 1mio h GLU 452 CO -0.09 0.00 -0.06 -3.47 -0.00 0.00 0.00 179.01 175.39 1mio n ASP 453 N -2.47 2.95 -4.49 3.06 2.03 0.15 -5.02 116.55 112.77 1mio n ASP 453 Ca 0.04 -3.41 -0.32 0.00 0.52 0.00 0.00 54.79 51.62 1mio n ASP 453 Cb 0.40 -0.57 -0.13 0.00 -0.72 0.00 0.00 41.12 40.10 1mio n ASP 453 CO 0.00 0.00 0.00 0.12 -1.92 0.00 0.00 177.20 175.40 1mio s PHE 454 N -3.05 2.69 0.40 -0.67 2.19 -1.11 -4.61 117.98 113.83 1mio s PHE 454 Ca 0.42 -0.16 0.08 0.00 0.33 0.00 0.00 56.93 57.59 1mio s PHE 454 Cb 0.36 -1.59 -0.04 0.00 -1.31 0.00 0.00 43.02 40.44 1mio s PHE 454 CO 0.03 0.22 0.26 -1.21 1.83 0.00 0.00 175.22 176.36 1mio s GLU 455 N -0.95 2.40 -0.05 10.12 0.41 -1.26 -5.06 118.70 124.33 1mio s GLU 455 Ca 0.13 -1.64 0.07 0.00 -0.41 0.00 0.00 54.97 53.12 1mio s GLU 455 Cb -0.11 -2.20 -0.10 0.00 -1.78 0.00 0.00 34.13 29.94 1mio s GLU 455 CO 0.02 -0.10 0.08 1.33 -0.49 0.00 0.00 175.26 176.11 1mio n VAL 456 N -1.36 0.28 -4.78 2.63 0.24 -1.26 -4.92 118.33 109.16 1mio n VAL 456 Ca 0.00 -0.25 -0.26 0.00 -2.04 0.00 0.00 64.34 61.80 1mio n VAL 456 Cb 0.63 -0.34 -0.16 0.00 -1.47 0.00 0.00 33.84 32.50 1mio n VAL 456 CO 0.00 0.00 0.00 -0.69 -2.14 0.00 0.00 176.83 174.00 1mio s VAL 457 N -2.32 1.37 0.00 3.34 1.01 -1.26 -5.32 120.40 117.22 1mio s VAL 457 Ca -0.03 -0.67 0.00 0.00 0.00 0.00 0.00 61.98 61.28 1mio s VAL 457 Cb 0.03 -1.19 0.00 0.00 0.00 0.00 0.00 36.38 35.22 1mio s VAL 457 CO 0.30 0.40 0.34 0.54 0.00 0.00 0.00 175.10 176.68