#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1n26 n ALA 2 N 0.00 0.00 -0.85 1.96 0.00 -1.26 -4.91 120.51 115.44 1n26 n ALA 2 Ca 0.00 0.00 -0.31 0.00 0.00 0.00 0.00 53.44 53.13 1n26 n ALA 2 Cb 0.00 0.00 0.02 0.00 0.00 0.00 0.00 19.45 19.47 1n26 n ALA 2 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 1n26 n PRO 3 N 0.00 0.00 0.00 0.00 -0.02 -1.26 -4.91 135.00 128.81 1n26 n PRO 3 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.48 1n26 n PRO 3 Cb 0.00 -0.87 0.00 0.00 -0.02 0.00 0.00 33.50 32.61 1n26 n PRO 3 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 1n26 n ARG 4 N 2.14 0.00 -4.09 -0.52 5.12 -1.26 -4.87 116.66 113.18 1n26 n ARG 4 Ca -0.02 0.00 -0.23 0.00 -1.93 0.00 0.00 57.85 55.68 1n26 n ARG 4 Cb 0.60 0.00 -0.06 0.00 -1.16 0.00 0.00 32.46 31.84 1n26 n ARG 4 CO 0.00 0.00 0.00 -0.98 -1.93 0.00 0.00 177.63 174.72 1n26 s ARG 5 N 0.00 2.42 -0.58 5.56 1.70 -1.26 -5.06 118.95 121.73 1n26 s ARG 5 Ca 0.00 -1.49 0.06 0.00 -0.47 0.00 0.00 55.73 53.83 1n26 s ARG 5 Cb 0.00 -2.22 0.25 0.00 -0.57 0.00 0.00 34.95 32.41 1n26 s ARG 5 CO 0.00 0.14 0.68 0.00 -1.08 0.00 0.00 175.30 175.05 1n26 s PRO 7 N -2.11 1.34 0.96 0.00 0.04 -1.26 -4.69 135.00 129.28 1n26 s PRO 7 Ca 0.38 0.25 -0.15 0.00 0.04 0.00 0.00 61.00 61.51 1n26 s PRO 7 Cb 0.15 -1.87 0.19 0.00 0.04 0.00 0.00 34.50 33.01 1n26 s PRO 7 CO -0.04 -2.05 1.26 0.00 0.04 0.00 0.00 177.00 176.20 1n26 s ALA 8 N -3.35 2.05 0.40 8.56 0.00 -1.26 -4.75 121.76 123.40 1n26 s ALA 8 Ca 0.63 -1.03 -0.25 0.00 0.00 0.00 0.00 51.96 51.31 1n26 s ALA 8 Cb -0.14 -2.84 -0.09 0.00 0.00 0.00 0.00 23.12 20.06 1n26 s ALA 8 CO 0.52 -2.46 1.15 -1.14 0.00 0.00 0.00 175.76 173.84 1n26 s GLN 9 N -5.73 4.09 0.46 0.00 2.00 -0.25 -4.95 119.66 115.27 1n26 s GLN 9 Ca 0.71 1.80 0.12 0.00 -2.00 0.00 0.00 55.36 55.99 1n26 s GLN 9 Cb -0.07 -2.68 1.04 0.00 0.80 0.00 0.00 33.01 32.11 1n26 s GLN 9 CO 0.53 -0.28 2.06 0.93 -0.50 0.00 0.00 175.29 178.03 1n26 h GLU 10 N 2.66 0.18 -3.94 1.67 4.39 -1.93 -3.43 114.58 114.17 1n26 h GLU 10 Ca -0.49 -0.02 0.00 0.00 0.34 0.00 0.00 59.36 59.20 1n26 h GLU 10 Cb 1.23 -0.04 0.00 0.00 -0.10 0.00 0.00 28.75 29.85 1n26 h GLU 10 CO 0.63 0.18 -0.93 0.28 -1.16 0.00 0.00 179.01 178.01 1n26 n VAL 11 N -4.45 -5.57 -0.59 3.13 0.31 -1.26 -4.96 118.33 104.95 1n26 n VAL 11 Ca -0.01 2.55 -0.29 0.00 -0.01 0.00 0.00 64.34 66.58 1n26 n VAL 11 Cb 0.13 -3.38 0.24 0.00 -0.91 0.00 0.00 33.84 29.92 1n26 n VAL 11 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1n26 s ALA 12 N -2.27 -0.11 0.03 3.52 0.00 -1.26 -4.89 121.76 116.78 1n26 s ALA 12 Ca 0.00 0.00 -0.37 0.00 0.00 0.00 0.00 51.96 51.59 1n26 s ALA 12 Cb 0.00 -3.28 -0.16 0.00 0.00 0.00 0.00 23.12 19.68 1n26 s ALA 12 CO 0.00 -3.64 1.48 0.54 0.00 0.00 0.00 175.76 174.14 1n26 n ARG 13 N -4.79 1.40 -2.07 0.00 1.74 -1.26 -2.20 116.66 109.48 1n26 n ARG 13 Ca 0.05 0.51 -0.14 0.00 -0.77 0.00 0.00 57.85 57.50 1n26 n ARG 13 Cb 0.54 -2.19 -0.02 0.00 -1.02 0.00 0.00 32.46 29.76 1n26 n ARG 13 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1n26 n GLY 14 N 3.08 0.14 3.79 -0.13 0.00 -1.26 -4.95 105.19 105.85 1n26 n GLY 14 Ca 0.20 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.83 1n26 n GLY 14 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1n26 s VAL 15 N -2.49 4.55 -0.10 1.61 1.01 -0.94 -4.50 120.40 119.54 1n26 s VAL 15 Ca 0.00 1.46 -0.03 0.00 0.00 0.00 0.00 61.98 63.41 1n26 s VAL 15 Cb 0.00 -4.01 -0.03 0.00 0.00 0.00 0.00 36.38 32.33 1n26 s VAL 15 CO 0.00 0.53 0.02 -0.22 0.00 0.00 0.00 175.10 175.43 1n26 s LEU 16 N -1.16 3.66 0.35 3.92 2.96 0.09 -4.95 118.68 123.55 1n26 s LEU 16 Ca 0.33 0.16 0.07 0.00 -0.22 0.00 0.00 54.13 54.47 1n26 s LEU 16 Cb -0.21 -1.85 -0.07 0.00 0.50 0.00 0.00 46.19 44.56 1n26 s LEU 16 CO 0.23 0.35 -0.04 0.42 -1.32 0.00 0.00 176.35 175.99 1n26 s THR 17 N -0.72 1.91 -0.11 3.68 -4.23 -1.26 -0.38 115.64 114.52 1n26 s THR 17 Ca 0.12 -2.10 -0.32 0.00 -1.18 0.00 0.00 61.69 58.20 1n26 s THR 17 Cb -0.12 -2.73 0.12 0.00 1.34 0.00 0.00 72.50 71.12 1n26 s THR 17 CO 0.02 -0.14 1.07 -0.94 -0.54 0.00 0.00 174.62 174.09 1n26 s SER 18 N -3.59 -0.24 0.45 3.99 1.04 -1.11 -4.92 113.70 109.31 1n26 s SER 18 Ca 0.33 0.02 -0.04 0.00 0.48 0.00 0.00 55.95 56.75 1n26 s SER 18 Cb 0.06 0.25 -0.04 0.00 0.10 0.00 0.00 66.02 66.39 1n26 s SER 18 CO 0.16 -0.39 0.72 -0.76 0.98 0.00 0.00 173.24 173.95 1n26 s LEU 19 N -2.22 3.73 0.35 2.42 1.43 -1.26 -0.66 118.68 122.46 1n26 s LEU 19 Ca 0.07 0.80 -0.28 0.00 -1.03 0.00 0.00 54.13 53.70 1n26 s LEU 19 Cb -0.01 -3.73 -0.09 0.00 0.03 0.00 0.00 46.19 42.38 1n26 s LEU 19 CO -0.06 -0.50 1.21 -2.84 0.23 0.00 0.00 176.35 174.38 1n26 s PRO 20 N -4.63 4.30 0.00 1.29 0.02 -1.26 -2.88 135.00 131.85 1n26 s PRO 20 Ca 0.45 1.98 0.00 0.00 0.02 0.00 0.00 61.00 63.45 1n26 s PRO 20 Cb -0.10 -2.95 0.00 0.00 0.02 0.00 0.00 34.50 31.47 1n26 s PRO 20 CO 0.43 -0.15 0.00 0.41 -0.33 0.00 0.00 177.00 177.36 1n26 n GLY 21 N 0.83 1.37 3.88 0.52 0.00 0.54 -4.98 105.19 107.36 1n26 n GLY 21 Ca 0.01 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.74 1n26 n GLY 21 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1n26 s ASP 22 N -1.90 6.34 0.13 1.61 1.01 -1.14 -4.32 116.67 118.40 1n26 s ASP 22 Ca 0.00 1.19 -0.08 0.00 0.71 0.00 0.00 52.55 54.37 1n26 s ASP 22 Cb 0.00 -2.36 -0.06 0.00 1.01 0.00 0.00 42.92 41.51 1n26 s ASP 22 CO 0.00 -0.64 0.43 -0.44 0.21 0.00 0.00 175.17 174.73 1n26 s SER 23 N -3.85 6.60 -0.02 0.27 0.01 -1.26 -1.84 113.70 113.61 1n26 s SER 23 Ca 0.52 0.77 0.03 0.00 1.31 0.00 0.00 55.95 58.57 1n26 s SER 23 Cb -0.10 -2.16 -0.00 0.00 0.21 0.00 0.00 66.02 63.96 1n26 s SER 23 CO 0.44 0.08 -0.09 -0.69 0.41 0.00 0.00 173.24 173.39 1n26 s VAL 24 N -1.57 0.77 -0.48 3.43 1.01 -0.87 -4.97 120.40 117.73 1n26 s VAL 24 Ca 0.39 -0.38 -0.11 0.00 0.00 0.00 0.00 61.98 61.87 1n26 s VAL 24 Cb -0.13 -0.66 0.11 0.00 0.00 0.00 0.00 36.38 35.70 1n26 s VAL 24 CO 0.21 0.23 0.37 -0.89 0.00 0.00 0.00 175.10 175.02 1n26 s THR 25 N -0.01 4.56 0.11 3.92 2.01 -1.26 -1.09 115.64 123.88 1n26 s THR 25 Ca 0.00 -1.57 -0.31 0.00 0.31 0.00 0.00 61.69 60.12 1n26 s THR 25 Cb -0.06 -3.92 -0.09 0.00 0.01 0.00 0.00 72.50 68.45 1n26 s THR 25 CO 0.00 -0.73 1.52 -0.76 -0.69 0.00 0.00 174.62 173.96 1n26 s LEU 26 N 1.46 4.36 -0.25 4.42 1.43 -0.66 -4.93 118.68 124.51 1n26 s LEU 26 Ca 0.04 2.45 0.01 0.00 -1.03 0.00 0.00 54.13 55.60 1n26 s LEU 26 Cb -0.26 -3.58 0.07 0.00 0.03 0.00 0.00 46.19 42.44 1n26 s LEU 26 CO 0.01 -0.78 -0.02 -0.89 0.23 0.00 0.00 176.35 174.91 1n26 s THR 27 N 1.58 1.47 0.02 5.49 2.01 -1.26 -2.57 115.64 122.38 1n26 s THR 27 Ca 0.69 -1.33 -0.32 0.00 0.31 0.00 0.00 61.69 61.04 1n26 s THR 27 Cb -0.40 -1.83 -0.11 0.00 0.01 0.00 0.00 72.50 70.17 1n26 s THR 27 CO 0.31 -0.24 1.90 0.00 -0.69 0.00 0.00 174.62 175.89 1n26 h PRO 29 N 9.47 0.49 -0.01 0.00 0.11 -1.92 -3.24 132.00 136.90 1n26 h PRO 29 Ca -0.48 -0.13 0.00 0.00 0.11 0.00 0.00 66.00 65.49 1n26 h PRO 29 Cb 1.25 -0.06 0.00 0.00 0.11 0.00 0.00 31.00 32.30 1n26 h PRO 29 CO 0.94 0.60 0.00 0.41 -0.21 0.00 0.00 178.00 179.74 1n26 n GLY 30 N -0.47 -0.91 3.18 -0.55 0.00 0.55 -4.76 105.19 102.23 1n26 n GLY 30 Ca -0.02 -0.11 -0.33 0.00 0.00 0.00 0.00 46.02 45.56 1n26 n GLY 30 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1n26 s VAL 31 N -1.98 2.26 0.76 1.61 1.01 -1.22 -4.97 120.40 117.87 1n26 s VAL 31 Ca 0.22 -0.89 -0.16 0.00 0.00 0.00 0.00 61.98 61.15 1n26 s VAL 31 Cb 0.10 -1.94 -0.06 0.00 0.00 0.00 0.00 36.38 34.48 1n26 s VAL 31 CO 0.17 0.53 0.23 -0.62 0.00 0.00 0.00 175.10 175.42 1n26 n GLU 32 N 4.30 0.14 0.13 2.72 1.02 -1.26 -4.82 120.64 122.87 1n26 n GLU 32 Ca -0.20 0.08 0.09 0.00 -0.02 0.00 0.00 57.16 57.11 1n26 n GLU 32 Cb 0.51 -1.60 0.48 0.00 -0.02 0.00 0.00 31.44 30.80 1n26 n GLU 32 CO 0.00 0.00 0.00 -0.35 1.18 0.00 0.00 177.13 177.96 1n26 n PRO 33 N -0.09 0.11 -0.02 3.49 -0.04 -1.26 -3.31 135.00 133.88 1n26 n PRO 33 Ca 0.08 0.61 0.01 0.00 -0.04 0.00 0.00 63.50 64.15 1n26 n PRO 33 Cb 0.51 -1.89 0.01 0.00 -0.04 0.00 0.00 33.50 32.09 1n26 n PRO 33 CO 0.00 0.00 0.00 -0.85 -0.04 0.00 0.00 175.50 174.61 1n26 n GLU 34 N -2.11 2.10 -2.41 0.54 0.00 -1.26 -4.94 120.64 112.56 1n26 n GLU 34 Ca -0.01 -1.32 -0.41 0.00 0.00 0.00 0.00 57.16 55.42 1n26 n GLU 34 Cb 0.04 -0.90 -0.03 0.00 0.00 0.00 0.00 31.44 30.55 1n26 n GLU 34 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.13 177.47 1n26 s ASP 35 N -0.89 6.00 0.00 -1.84 -1.08 -1.21 -4.81 116.67 112.84 1n26 s ASP 35 Ca 0.02 -0.06 0.04 0.00 -0.52 0.00 0.00 52.55 52.04 1n26 s ASP 35 Cb 0.02 -2.55 0.24 0.00 -1.46 0.00 0.00 42.92 39.17 1n26 s ASP 35 CO 0.00 -1.88 0.64 0.59 0.52 0.00 0.00 175.17 175.04 1n26 n ASN 36 N 10.03 0.00 -4.72 -0.34 3.02 -1.26 -3.87 115.26 118.12 1n26 n ASN 36 Ca 0.09 -0.20 -0.37 0.00 -0.03 0.00 0.00 54.58 54.08 1n26 n ASN 36 Cb 0.50 0.00 0.07 0.00 -0.61 0.00 0.00 39.78 39.73 1n26 n ASN 36 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1n26 n ALA 37 N -0.89 1.06 -1.91 5.41 0.00 -1.26 -4.02 120.51 118.90 1n26 n ALA 37 Ca 0.03 0.00 -0.41 0.00 0.00 0.00 0.00 53.44 53.06 1n26 n ALA 37 Cb 0.01 -2.31 -0.03 0.00 0.00 0.00 0.00 19.45 17.13 1n26 n ALA 37 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 1n26 s THR 38 N -1.39 3.16 0.03 0.00 2.01 -1.26 -0.41 115.64 117.78 1n26 s THR 38 Ca 0.82 1.04 0.07 0.00 0.31 0.00 0.00 61.69 63.93 1n26 s THR 38 Cb -0.38 -3.66 -0.03 0.00 0.01 0.00 0.00 72.50 68.43 1n26 s THR 38 CO 0.41 0.20 -0.17 -0.69 -0.69 0.00 0.00 174.62 173.68 1n26 s VAL 39 N -0.44 2.88 -0.04 3.82 1.01 0.16 -4.68 120.40 123.11 1n26 s VAL 39 Ca 0.52 -1.12 0.04 0.00 0.00 0.00 0.00 61.98 61.43 1n26 s VAL 39 Cb -0.36 -2.21 -0.03 0.00 0.00 0.00 0.00 36.38 33.78 1n26 s VAL 39 CO 0.42 0.36 -0.16 -1.00 0.00 0.00 0.00 175.10 174.73 1n26 s HIS 40 N -0.92 2.66 0.01 5.22 3.76 -0.49 -0.85 115.29 124.68 1n26 s HIS 40 Ca 0.15 -0.19 0.08 0.00 -0.15 0.00 0.00 55.06 54.95 1n26 s HIS 40 Cb -0.11 -1.60 -0.02 0.00 1.11 0.00 0.00 32.58 31.96 1n26 s HIS 40 CO 0.05 0.17 -0.25 -1.58 -0.85 0.00 0.00 174.74 172.28 1n26 s TRP 41 N -0.74 2.35 -0.11 1.40 0.52 -0.39 0.08 118.94 122.05 1n26 s TRP 41 Ca 0.12 -0.41 0.01 0.00 0.02 0.00 0.00 56.10 55.84 1n26 s TRP 41 Cb -0.11 -1.46 0.02 0.00 -1.15 0.00 0.00 33.47 30.78 1n26 s TRP 41 CO 0.01 0.05 -0.12 0.08 0.02 0.00 0.00 176.95 176.99 1n26 s VAL 42 N -0.71 1.31 -0.18 4.03 1.01 0.09 -1.50 120.40 124.45 1n26 s VAL 42 Ca 0.11 -0.50 -0.08 0.00 0.00 0.00 0.00 61.98 61.52 1n26 s VAL 42 Cb -0.10 -1.24 -0.04 0.00 0.00 0.00 0.00 36.38 34.99 1n26 s VAL 42 CO 0.01 0.41 0.07 -0.22 0.00 0.00 0.00 175.10 175.36 1n26 s LEU 43 N 1.32 3.85 -0.49 3.92 2.96 -0.49 -0.16 118.68 129.59 1n26 s LEU 43 Ca -0.01 0.10 0.04 0.00 -0.22 0.00 0.00 54.13 54.04 1n26 s LEU 43 Cb -0.14 -1.98 0.13 0.00 0.50 0.00 0.00 46.19 44.71 1n26 s LEU 43 CO -0.05 0.18 0.24 -0.13 -1.32 0.00 0.00 176.35 175.27 1n26 s ARG 44 N 0.35 1.79 0.83 1.98 0.52 0.34 -1.14 118.95 123.62 1n26 s ARG 44 Ca 0.03 -2.44 -0.13 0.00 -0.52 0.00 0.00 55.73 52.68 1n26 s ARG 44 Cb -0.12 -3.09 0.10 0.00 0.52 0.00 0.00 34.95 32.35 1n26 s ARG 44 CO -0.00 -1.11 1.19 0.15 0.02 0.00 0.00 175.30 175.55 1n26 s LYS 45 N -0.08 1.52 0.00 3.54 1.02 -1.26 -1.63 119.74 122.84 1n26 s LYS 45 Ca 0.17 1.71 0.31 0.00 0.02 0.00 0.00 55.97 58.18 1n26 s LYS 45 Cb -0.25 -1.77 1.79 0.00 -0.52 0.00 0.00 37.83 37.08 1n26 s LYS 45 CO -0.01 -2.30 2.17 -2.30 -0.92 0.00 0.00 175.35 172.00 1n26 n PRO 46 N -3.49 0.93 -2.44 -1.68 -0.02 -1.26 -4.88 135.00 122.16 1n26 n PRO 46 Ca 0.13 -0.05 -0.41 0.00 -2.02 0.00 0.00 63.50 61.15 1n26 n PRO 46 Cb 0.51 -1.50 -0.04 0.00 -0.02 0.00 0.00 33.50 32.45 1n26 n PRO 46 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1n26 s ALA 47 N -2.11 3.41 0.50 3.55 0.00 -1.26 -4.99 121.76 120.87 1n26 s ALA 47 Ca 0.44 0.91 -0.23 0.00 0.00 0.00 0.00 51.96 53.07 1n26 s ALA 47 Cb 0.22 -3.37 -0.07 0.00 0.00 0.00 0.00 23.12 19.90 1n26 s ALA 47 CO 0.39 -0.26 1.30 0.00 0.00 0.00 0.00 175.76 177.19 1n26 n ALA 48 N 1.89 1.41 -3.61 0.00 0.00 -1.26 -2.72 120.51 116.23 1n26 n ALA 48 Ca 0.02 0.17 -0.28 0.00 0.00 0.00 0.00 53.44 53.35 1n26 n ALA 48 Cb 0.45 -2.31 0.04 0.00 0.00 0.00 0.00 19.45 17.63 1n26 n ALA 48 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1n26 n GLY 49 N 0.80 -1.05 0.00 0.00 0.00 -1.26 -4.98 105.19 98.70 1n26 n GLY 49 Ca 0.09 0.48 0.00 0.00 0.00 0.00 0.00 46.02 46.59 1n26 n GLY 49 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1n26 n SER 50 N -2.65 0.00 -2.70 1.61 2.88 -1.10 -5.09 113.62 106.57 1n26 n SER 50 Ca -0.10 0.00 -0.06 0.00 -1.33 0.00 0.00 58.87 57.38 1n26 n SER 50 Cb 0.59 0.00 0.09 0.00 -0.75 0.00 0.00 64.21 64.14 1n26 n SER 50 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1n26 n HIS 51 N 0.00 -1.62 -0.52 0.66 1.44 -1.26 -5.13 115.22 108.79 1n26 n HIS 51 Ca 0.00 -1.29 -0.20 0.00 -2.01 0.00 0.00 57.72 54.21 1n26 n HIS 51 Cb 0.00 1.36 -0.03 0.00 0.12 0.00 0.00 29.99 31.44 1n26 n HIS 51 CO 0.00 0.00 0.00 -2.30 -2.81 0.00 0.00 176.34 171.23 1n26 n PRO 52 N 0.84 0.00 -3.57 -1.40 -0.02 -1.26 -4.92 135.00 124.66 1n26 n PRO 52 Ca 0.01 0.00 -0.36 0.00 -2.02 0.00 0.00 63.50 61.14 1n26 n PRO 52 Cb 0.71 -0.46 -0.06 0.00 -0.02 0.00 0.00 33.50 33.67 1n26 n PRO 52 CO 0.00 0.00 0.00 -1.12 1.98 0.00 0.00 175.50 176.36 1n26 s SER 53 N 0.68 6.68 -0.22 2.55 0.01 -0.29 -4.91 113.70 118.20 1n26 s SER 53 Ca 0.31 0.83 -0.01 0.00 1.31 0.00 0.00 55.95 58.39 1n26 s SER 53 Cb -0.44 -2.19 0.06 0.00 0.21 0.00 0.00 66.02 63.65 1n26 s SER 53 CO 0.23 0.22 -0.01 -0.13 0.41 0.00 0.00 173.24 173.96 1n26 s ARG 54 N -1.65 1.23 0.19 12.44 0.52 -1.26 -1.40 118.95 129.02 1n26 s ARG 54 Ca 0.30 -0.79 0.08 0.00 -0.52 0.00 0.00 55.73 54.80 1n26 s ARG 54 Cb -0.15 -2.40 -0.04 0.00 0.52 0.00 0.00 34.95 32.88 1n26 s ARG 54 CO 0.16 -0.63 -0.16 -1.58 0.02 0.00 0.00 175.30 173.11 1n26 s TRP 55 N 1.57 1.80 -0.10 -0.53 0.51 -0.56 -4.99 118.94 116.63 1n26 s TRP 55 Ca -0.03 -0.51 0.04 0.00 -2.12 0.00 0.00 56.10 53.47 1n26 s TRP 55 Cb -0.18 -0.85 0.00 0.00 -0.81 0.00 0.00 33.47 31.63 1n26 s TRP 55 CO -0.07 0.38 -0.22 0.00 -0.51 0.00 0.00 176.95 176.52 1n26 s ALA 56 N -2.55 2.04 0.11 0.98 0.00 -1.26 -1.26 121.76 119.82 1n26 s ALA 56 Ca 0.20 -0.90 0.04 0.00 0.00 0.00 0.00 51.96 51.31 1n26 s ALA 56 Cb -0.03 -0.80 -0.04 0.00 0.00 0.00 0.00 23.12 22.25 1n26 s ALA 56 CO 0.07 0.22 -0.11 0.20 0.00 0.00 0.00 175.76 176.14 1n26 s GLY 57 N 0.46 0.94 -0.18 0.00 0.00 -0.03 -5.00 107.32 103.51 1n26 s GLY 57 Ca -0.17 -1.25 -0.20 0.00 0.00 0.00 0.00 44.72 43.10 1n26 s GLY 57 CO 0.07 -1.32 0.59 -0.29 0.00 0.00 0.00 173.10 172.15 1n26 s MET 58 N -2.83 4.23 0.77 2.90 1.75 -1.26 0.40 119.30 125.25 1n26 s MET 58 Ca 0.07 0.57 0.00 0.00 -1.25 0.00 0.00 55.69 55.09 1n26 s MET 58 Cb -0.03 -3.55 0.00 0.00 2.84 0.00 0.00 34.83 34.09 1n26 s MET 58 CO 0.01 -0.16 0.00 0.41 -0.65 0.00 0.00 175.02 174.63 1n26 n GLY 59 N 3.72 -2.07 0.03 2.11 0.00 0.45 -4.48 105.19 104.96 1n26 n GLY 59 Ca -0.03 -1.55 0.13 0.00 0.00 0.00 0.00 46.02 44.57 1n26 n GLY 59 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 1n26 n ARG 60 N -0.05 0.14 -3.97 1.61 1.85 -1.26 -4.14 116.66 110.85 1n26 n ARG 60 Ca 0.00 -0.06 -0.30 0.00 -1.00 0.00 0.00 57.85 56.49 1n26 n ARG 60 Cb 0.00 -1.50 -0.05 0.00 -1.05 0.00 0.00 32.46 29.86 1n26 n ARG 60 CO 0.00 0.00 0.00 1.03 -0.01 0.00 0.00 177.63 178.65 1n26 s ARG 61 N -2.90 3.23 -0.27 2.89 0.52 -1.26 -1.47 118.95 119.70 1n26 s ARG 61 Ca 0.15 -0.55 -0.08 0.00 -0.52 0.00 0.00 55.73 54.73 1n26 s ARG 61 Cb 0.18 -2.92 0.12 0.00 0.52 0.00 0.00 34.95 32.86 1n26 s ARG 61 CO 0.60 0.59 0.57 -1.17 0.02 0.00 0.00 175.30 175.90 1n26 s LEU 62 N -2.52 -0.98 0.07 2.53 2.96 -1.06 -4.72 118.68 114.95 1n26 s LEU 62 Ca 0.33 1.33 -0.16 0.00 -0.22 0.00 0.00 54.13 55.40 1n26 s LEU 62 Cb -0.13 1.96 -0.06 0.00 0.50 0.00 0.00 46.19 48.46 1n26 s LEU 62 CO 0.26 -0.23 0.51 -0.22 -1.32 0.00 0.00 176.35 175.35 1n26 s LEU 63 N 2.80 4.46 -0.25 -0.68 1.98 -1.26 -1.66 118.68 124.06 1n26 s LEU 63 Ca -0.03 1.12 -0.04 0.00 -2.89 0.00 0.00 54.13 52.29 1n26 s LEU 63 Cb -0.12 -2.91 0.01 0.00 0.66 0.00 0.00 46.19 43.83 1n26 s LEU 63 CO -0.17 0.24 -0.02 -0.76 -1.89 0.00 0.00 176.35 173.75 1n26 s LEU 64 N -1.35 3.26 0.44 -0.68 1.43 -0.25 -4.98 118.68 116.56 1n26 s LEU 64 Ca 0.30 -0.69 -0.21 0.00 -1.03 0.00 0.00 54.13 52.50 1n26 s LEU 64 Cb -0.17 -1.74 -0.10 0.00 0.03 0.00 0.00 46.19 44.21 1n26 s LEU 64 CO 0.17 -0.11 1.00 -0.60 0.23 0.00 0.00 176.35 177.04 1n26 s ARG 65 N 1.41 4.07 0.00 1.70 3.52 -1.26 -2.05 118.95 126.34 1n26 s ARG 65 Ca 0.02 1.29 0.00 0.00 -0.13 0.00 0.00 55.73 56.91 1n26 s ARG 65 Cb -0.16 -2.24 0.00 0.00 -1.56 0.00 0.00 34.95 30.99 1n26 s ARG 65 CO -0.02 -0.19 0.00 0.45 -0.81 0.00 0.00 175.30 174.73 1n26 n SER 66 N -0.61 0.00 -4.30 -2.12 2.88 -1.23 -4.78 113.62 103.46 1n26 n SER 66 Ca 0.07 0.00 -0.38 0.00 -1.33 0.00 0.00 58.87 57.23 1n26 n SER 66 Cb 0.52 0.00 0.03 0.00 -0.75 0.00 0.00 64.21 64.01 1n26 n SER 66 CO 0.00 0.00 0.00 0.52 -1.23 0.00 0.00 175.04 174.33 1n26 n VAL 67 N -0.93 0.73 -4.39 2.46 0.31 -0.77 -4.21 118.33 111.54 1n26 n VAL 67 Ca 0.00 -0.48 -0.19 0.00 -0.01 0.00 0.00 64.34 63.65 1n26 n VAL 67 Cb 0.00 -0.25 -0.10 0.00 -0.91 0.00 0.00 33.84 32.57 1n26 n VAL 67 CO 0.00 0.00 0.00 -1.10 -1.32 0.00 0.00 176.83 174.41 1n26 s GLN 68 N -1.61 1.53 0.24 5.55 -1.52 -1.26 -0.34 119.66 122.25 1n26 s GLN 68 Ca 0.59 -1.83 -0.04 0.00 -1.95 0.00 0.00 55.36 52.12 1n26 s GLN 68 Cb -0.43 -0.60 0.44 0.00 -0.22 0.00 0.00 33.01 32.20 1n26 s GLN 68 CO 0.64 -0.22 1.75 -0.07 -0.25 0.00 0.00 175.29 177.14 1n26 h LEU 69 N 2.25 0.38 0.00 2.90 3.38 -1.95 0.17 115.31 122.44 1n26 h LEU 69 Ca -0.40 0.09 0.00 0.00 0.09 0.00 0.00 57.88 57.67 1n26 h LEU 69 Cb 1.24 0.04 0.00 0.00 0.09 0.00 0.00 40.66 42.04 1n26 h LEU 69 CO 0.66 0.17 0.00 0.00 0.09 0.00 0.00 178.44 179.36 1n26 n HIS 70 N -4.94 0.00 1.31 1.13 1.44 -1.26 -1.00 115.22 111.90 1n26 n HIS 70 Ca 0.14 0.00 0.13 0.00 -2.01 0.00 0.00 57.72 55.98 1n26 n HIS 70 Cb 0.38 -0.07 0.37 0.00 0.12 0.00 0.00 29.99 30.80 1n26 n HIS 70 CO 0.00 0.00 0.00 -0.25 -2.81 0.00 0.00 176.34 173.28 1n26 n ASP 71 N -1.07 1.77 -4.76 4.39 8.00 0.60 -4.86 116.55 120.62 1n26 n ASP 71 Ca 0.08 -1.50 -0.39 0.00 0.71 0.00 0.00 54.79 53.69 1n26 n ASP 71 Cb 0.05 0.06 0.02 0.00 -0.02 0.00 0.00 41.12 41.23 1n26 n ASP 71 CO 0.00 0.00 0.00 -0.44 -0.39 0.00 0.00 177.20 176.37 1n26 s SER 72 N -2.12 5.73 0.00 -2.24 0.01 -0.17 -4.88 113.70 110.02 1n26 s SER 72 Ca 0.32 2.73 0.00 0.00 1.31 0.00 0.00 55.95 60.32 1n26 s SER 72 Cb 0.20 -2.64 0.00 0.00 0.21 0.00 0.00 66.02 63.80 1n26 s SER 72 CO 0.38 -1.26 0.00 0.61 0.41 0.00 0.00 173.24 173.38 1n26 n GLY 73 N 0.64 -1.28 3.24 3.44 0.00 -0.44 -4.23 105.19 106.56 1n26 n GLY 73 Ca 0.07 -1.15 -0.35 0.00 0.00 0.00 0.00 46.02 44.59 1n26 n GLY 73 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1n26 s ASN 74 N -4.00 4.63 -0.50 1.61 0.01 -0.65 -1.97 114.94 114.07 1n26 s ASN 74 Ca 0.00 -0.86 -0.17 0.00 -0.71 0.00 0.00 52.86 51.12 1n26 s ASN 74 Cb 0.00 -1.74 0.08 0.00 0.41 0.00 0.00 41.25 40.00 1n26 s ASN 74 CO 0.00 -0.16 0.51 -0.31 -1.51 0.00 0.00 177.10 175.63 1n26 s TYR 75 N 1.37 3.16 -0.18 2.20 1.51 -0.93 -0.51 117.35 123.98 1n26 s TYR 75 Ca 0.00 -0.85 -0.21 0.00 -1.01 0.00 0.00 57.07 55.00 1n26 s TYR 75 Cb -0.17 -3.45 -0.03 0.00 -0.11 0.00 0.00 41.96 38.21 1n26 s TYR 75 CO -0.02 -0.95 0.65 -1.12 -1.11 0.00 0.00 175.55 173.00 1n26 s SER 76 N 2.85 6.75 -0.25 2.29 0.01 0.78 -0.44 113.70 125.69 1n26 s SER 76 Ca 0.08 0.91 -0.11 0.00 1.31 0.00 0.00 55.95 58.14 1n26 s SER 76 Cb -0.23 -2.36 -0.05 0.00 0.21 0.00 0.00 66.02 63.59 1n26 s SER 76 CO 0.08 -0.25 0.20 0.00 0.41 0.00 0.00 173.24 173.68 1n26 s TYR 78 N 1.28 2.50 -0.73 0.00 1.51 0.11 -3.32 117.35 118.70 1n26 s TYR 78 Ca 0.09 -1.04 -0.00 0.00 -1.01 0.00 0.00 57.07 55.10 1n26 s TYR 78 Cb -0.14 -1.68 0.18 0.00 -0.11 0.00 0.00 41.96 40.21 1n26 s TYR 78 CO 0.06 -0.43 0.55 0.50 -1.11 0.00 0.00 175.55 175.13 1n26 s ARG 79 N 0.41 2.75 0.00 -0.62 6.06 -1.26 -1.40 118.95 124.89 1n26 s ARG 79 Ca -0.18 -2.96 0.00 0.00 -2.50 0.00 0.00 55.73 50.09 1n26 s ARG 79 Cb -0.18 -3.72 0.00 0.00 0.06 0.00 0.00 34.95 31.12 1n26 s ARG 79 CO 0.08 -1.22 0.00 0.00 -2.50 0.00 0.00 175.30 171.66 1n26 n ALA 80 N 2.75 0.00 -1.00 6.12 0.00 -1.26 -4.57 120.51 122.56 1n26 n ALA 80 Ca 0.15 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.59 1n26 n ALA 80 Cb 0.36 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.81 1n26 n ALA 80 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1n26 n GLY 81 N 0.00 0.29 2.07 0.00 0.00 -1.26 -5.07 105.19 101.22 1n26 n GLY 81 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1n26 n GLY 81 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1n26 n ARG 82 N 0.00 0.00 -2.67 1.61 1.74 -1.26 -5.05 116.66 111.03 1n26 n ARG 82 Ca 0.00 0.00 -0.42 0.00 -0.77 0.00 0.00 57.85 56.66 1n26 n ARG 82 Cb 0.00 0.00 -0.03 0.00 -1.02 0.00 0.00 32.46 31.41 1n26 n ARG 82 CO 0.00 0.00 0.00 -1.25 -1.52 0.00 0.00 177.63 174.86 1n26 s PRO 83 N -2.00 3.31 0.00 5.56 0.04 -1.26 -4.59 135.00 136.06 1n26 s PRO 83 Ca 0.00 -0.19 0.00 0.00 0.04 0.00 0.00 61.00 60.85 1n26 s PRO 83 Cb 0.00 -4.11 0.00 0.00 0.04 0.00 0.00 34.50 30.43 1n26 s PRO 83 CO 0.00 -1.81 0.00 0.00 0.04 0.00 0.00 177.00 175.23 1n26 n ALA 84 N 8.43 0.35 0.00 8.56 0.00 -1.21 -4.87 120.51 131.76 1n26 n ALA 84 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.47 1n26 n ALA 84 Cb 0.48 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.93 1n26 n ALA 84 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1n26 n GLY 85 N 0.20 2.32 3.01 0.00 0.00 -1.21 -0.33 105.19 109.18 1n26 n GLY 85 Ca 0.00 -2.13 -0.12 0.00 0.00 0.00 0.00 46.02 43.77 1n26 n GLY 85 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1n26 s THR 86 N -1.98 0.36 -0.29 2.61 2.01 -1.26 0.12 115.64 117.20 1n26 s THR 86 Ca 0.00 -0.79 -0.02 0.00 0.31 0.00 0.00 61.69 61.18 1n26 s THR 86 Cb 0.00 -0.42 0.04 0.00 0.01 0.00 0.00 72.50 72.13 1n26 s THR 86 CO 0.00 -0.29 0.00 -0.69 -0.69 0.00 0.00 174.62 172.95 1n26 s VAL 87 N -1.06 3.09 -0.45 3.82 1.01 0.41 -4.94 120.40 122.28 1n26 s VAL 87 Ca -0.09 -1.26 -0.27 0.00 0.00 0.00 0.00 61.98 60.37 1n26 s VAL 87 Cb -0.08 -2.72 0.03 0.00 0.00 0.00 0.00 36.38 33.61 1n26 s VAL 87 CO -0.00 -0.05 1.01 -1.00 0.00 0.00 0.00 175.10 175.07 1n26 s HIS 88 N 1.29 2.91 -0.30 5.22 3.76 -1.26 -2.19 115.29 124.72 1n26 s HIS 88 Ca -0.04 0.58 -0.08 0.00 -0.15 0.00 0.00 55.06 55.38 1n26 s HIS 88 Cb -0.19 -4.10 -0.00 0.00 1.11 0.00 0.00 32.58 29.40 1n26 s HIS 88 CO -0.01 -1.12 0.11 -1.17 -0.85 0.00 0.00 174.74 171.69 1n26 s LEU 89 N 3.99 3.92 -0.40 0.89 2.96 -0.83 -0.73 118.68 128.48 1n26 s LEU 89 Ca 0.42 -0.60 -0.02 0.00 -0.22 0.00 0.00 54.13 53.71 1n26 s LEU 89 Cb -0.09 -1.93 0.10 0.00 0.50 0.00 0.00 46.19 44.77 1n26 s LEU 89 CO 0.27 -0.18 0.18 -0.22 -1.32 0.00 0.00 176.35 175.08 1n26 s LEU 90 N 1.55 5.11 -0.12 -0.68 2.96 0.49 -1.33 118.68 126.66 1n26 s LEU 90 Ca 0.04 -1.97 -0.26 0.00 -0.22 0.00 0.00 54.13 51.72 1n26 s LEU 90 Cb -0.17 -1.81 -0.02 0.00 0.50 0.00 0.00 46.19 44.69 1n26 s LEU 90 CO 0.04 -0.51 0.85 -0.69 -1.32 0.00 0.00 176.35 174.72 1n26 s VAL 91 N 1.14 4.89 0.10 1.68 1.01 -1.26 -2.77 120.40 125.20 1n26 s VAL 91 Ca 0.07 1.71 0.01 0.00 0.00 0.00 0.00 61.98 63.78 1n26 s VAL 91 Cb -0.22 -4.17 -0.04 0.00 0.00 0.00 0.00 36.38 31.95 1n26 s VAL 91 CO -0.04 0.08 -0.03 -0.62 0.00 0.00 0.00 175.10 174.48 1n26 s ASP 92 N 1.07 0.90 0.09 3.32 -1.08 0.16 -4.72 116.67 116.41 1n26 s ASP 92 Ca 0.41 -1.05 0.02 0.00 -0.52 0.00 0.00 52.55 51.41 1n26 s ASP 92 Cb -0.18 0.15 -0.04 0.00 -1.46 0.00 0.00 42.92 41.39 1n26 s ASP 92 CO 0.16 -0.54 0.19 -0.69 0.52 0.00 0.00 175.17 174.80 1n26 s VAL 93 N -3.75 5.09 0.01 1.11 1.01 -1.26 -4.29 120.40 118.32 1n26 s VAL 93 Ca 0.14 -0.61 -0.28 0.00 0.00 0.00 0.00 61.98 61.24 1n26 s VAL 93 Cb 0.06 -3.52 -0.04 0.00 0.00 0.00 0.00 36.38 32.88 1n26 s VAL 93 CO -0.04 0.06 0.88 -2.84 0.00 0.00 0.00 175.10 173.17 1n26 s PRO 94 N -2.69 4.54 0.82 2.72 0.02 -1.26 -4.61 135.00 134.54 1n26 s PRO 94 Ca 0.33 1.25 -0.13 0.00 0.02 0.00 0.00 61.00 62.47 1n26 s PRO 94 Cb -0.12 -3.43 0.08 0.00 0.02 0.00 0.00 34.50 31.05 1n26 s PRO 94 CO 0.26 0.06 1.12 -2.30 -0.33 0.00 0.00 177.00 175.81 1n26 n PRO 95 N 3.56 0.10 -1.99 5.54 -0.02 -1.26 -4.99 135.00 135.95 1n26 n PRO 95 Ca 0.03 0.11 -0.32 0.00 -2.02 0.00 0.00 63.50 61.30 1n26 n PRO 95 Cb 0.51 -2.37 0.01 0.00 -0.02 0.00 0.00 33.50 31.63 1n26 n PRO 95 CO 0.00 0.00 0.00 -1.21 1.98 0.00 0.00 175.50 176.27 1n26 s GLU 96 N -4.06 3.53 -0.05 -0.52 2.02 -1.26 -4.86 118.70 113.50 1n26 s GLU 96 Ca 0.71 0.92 -0.30 0.00 0.02 0.00 0.00 54.97 56.32 1n26 s GLU 96 Cb -0.28 -2.07 -0.03 0.00 0.10 0.00 0.00 34.13 31.84 1n26 s GLU 96 CO 0.53 -0.63 1.19 -2.00 0.02 0.00 0.00 175.26 174.37 1n26 s GLU 97 N -4.67 4.36 0.73 1.61 2.12 -1.26 -4.79 118.70 116.80 1n26 s GLU 97 Ca 0.58 1.66 -0.15 0.00 0.36 0.00 0.00 54.97 57.42 1n26 s GLU 97 Cb -0.12 -3.54 0.04 0.00 0.26 0.00 0.00 34.13 30.77 1n26 s GLU 97 CO 0.45 -0.42 1.18 -2.14 -0.54 0.00 0.00 175.26 173.80 1n26 s PRO 98 N 2.10 2.18 -0.33 4.30 0.02 -1.26 -4.96 135.00 137.05 1n26 s PRO 98 Ca 0.56 1.67 0.03 0.00 0.02 0.00 0.00 61.00 63.28 1n26 s PRO 98 Cb -0.25 -1.85 0.10 0.00 0.02 0.00 0.00 34.50 32.52 1n26 s PRO 98 CO 0.22 -1.78 0.05 -0.65 -0.33 0.00 0.00 177.00 174.50 1n26 s GLN 99 N -4.00 1.44 0.10 5.54 -1.52 -1.26 -4.32 119.66 115.63 1n26 s GLN 99 Ca 0.72 -1.75 -0.25 0.00 -1.95 0.00 0.00 55.36 52.13 1n26 s GLN 99 Cb -0.27 -3.04 -0.07 0.00 -0.22 0.00 0.00 33.01 29.41 1n26 s GLN 99 CO 0.46 -0.92 0.78 -1.17 -0.25 0.00 0.00 175.29 174.19 1n26 s LEU 100 N 1.00 4.52 -0.17 2.90 2.96 -1.26 -4.37 118.68 124.25 1n26 s LEU 100 Ca 0.10 1.56 -0.00 0.00 -0.22 0.00 0.00 54.13 55.56 1n26 s LEU 100 Cb -0.19 -3.28 0.04 0.00 0.50 0.00 0.00 46.19 43.26 1n26 s LEU 100 CO -0.10 0.09 -0.07 -0.55 -1.32 0.00 0.00 176.35 174.41 1n26 s SER 101 N -0.52 2.86 0.01 3.68 0.15 0.71 -4.97 113.70 115.63 1n26 s SER 101 Ca 0.38 -0.66 0.04 0.00 0.70 0.00 0.00 55.95 56.41 1n26 s SER 101 Cb -0.22 -0.98 -0.03 0.00 -1.71 0.00 0.00 66.02 63.07 1n26 s SER 101 CO 0.25 -0.16 -0.09 0.00 1.20 0.00 0.00 173.24 174.44 1n26 s PHE 103 N -0.98 -0.27 -0.23 0.00 -0.12 0.12 -4.97 117.98 111.52 1n26 s PHE 103 Ca 0.17 -0.10 -0.03 0.00 -0.05 0.00 0.00 56.93 56.91 1n26 s PHE 103 Cb -0.11 0.66 0.12 0.00 -0.63 0.00 0.00 43.02 43.06 1n26 s PHE 103 CO 0.07 -1.08 0.30 0.50 -0.05 0.00 0.00 175.22 174.96 1n26 s ARG 104 N -3.79 0.28 0.11 1.99 3.52 -1.26 -0.50 118.95 119.30 1n26 s ARG 104 Ca 0.09 0.31 -0.17 0.00 -0.13 0.00 0.00 55.73 55.83 1n26 s ARG 104 Cb -0.04 -0.81 -0.04 0.00 -1.56 0.00 0.00 34.95 32.50 1n26 s ARG 104 CO 0.01 -0.70 1.62 0.87 -0.81 0.00 0.00 175.30 176.30 1n26 h LYS 105 N 8.25 0.53 -5.19 5.12 1.79 -1.87 0.12 116.57 125.33 1n26 h LYS 105 Ca -0.18 -0.12 -0.36 0.00 -2.18 0.00 0.00 60.65 57.81 1n26 h LYS 105 Cb 1.15 -0.07 -0.14 0.00 -1.58 0.00 0.00 32.23 31.58 1n26 h LYS 105 CO 0.28 0.57 -0.71 -1.54 -1.08 0.00 0.00 179.45 176.98 1n26 s SER 106 N -5.88 1.98 0.57 0.86 1.04 -1.26 -3.87 113.70 107.14 1n26 s SER 106 Ca -0.13 -1.04 0.27 0.00 0.48 0.00 0.00 55.95 55.53 1n26 s SER 106 Cb 0.09 -0.04 1.50 0.00 0.10 0.00 0.00 66.02 67.68 1n26 s SER 106 CO 0.75 -0.32 2.01 -0.65 0.98 0.00 0.00 173.24 176.01 1n26 h PRO 107 N 2.69 0.00 0.00 4.02 0.11 -1.94 -2.83 132.00 134.05 1n26 h PRO 107 Ca -0.37 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.74 1n26 h PRO 107 Cb 1.20 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.31 1n26 h PRO 107 CO 0.63 0.00 -0.99 1.28 -0.21 0.00 0.00 178.00 178.72 1n26 n LEU 108 N -4.01 0.72 -4.89 2.35 4.32 -1.26 -4.77 117.00 109.45 1n26 n LEU 108 Ca 0.06 -0.43 -0.29 0.00 -0.02 0.00 0.00 56.01 55.34 1n26 n LEU 108 Cb 0.52 0.00 0.03 0.00 -1.62 0.00 0.00 43.42 42.35 1n26 n LEU 108 CO 0.31 0.18 0.65 -0.94 -1.22 0.00 0.00 177.39 176.37 1n26 s SER 109 N -2.89 5.77 0.62 -1.43 1.04 -1.07 -5.04 113.70 110.70 1n26 s SER 109 Ca 0.05 1.06 -0.14 0.00 0.48 0.00 0.00 55.95 57.40 1n26 s SER 109 Cb 0.13 -2.03 -0.03 0.00 0.10 0.00 0.00 66.02 64.19 1n26 s SER 109 CO 0.73 -1.06 1.05 0.20 0.98 0.00 0.00 173.24 175.14 1n26 s ASN 110 N -4.27 5.74 0.13 7.02 0.01 -1.26 -4.83 114.94 117.47 1n26 s ASN 110 Ca 0.55 1.71 -0.30 0.00 -0.71 0.00 0.00 52.86 54.11 1n26 s ASN 110 Cb -0.11 -2.52 -0.07 0.00 0.41 0.00 0.00 41.25 38.96 1n26 s ASN 110 CO 0.50 -1.20 1.25 -0.69 -1.51 0.00 0.00 177.10 175.45 1n26 s VAL 111 N -2.69 3.65 -0.09 1.60 1.01 0.41 -4.75 120.40 119.53 1n26 s VAL 111 Ca 0.61 1.26 -0.01 0.00 0.00 0.00 0.00 61.98 63.85 1n26 s VAL 111 Cb -0.15 -3.81 -0.03 0.00 0.00 0.00 0.00 36.38 32.40 1n26 s VAL 111 CO 0.43 0.14 -0.05 -0.69 0.00 0.00 0.00 175.10 174.93 1n26 s VAL 112 N 0.59 3.82 -0.09 2.92 1.01 0.34 -0.88 120.40 128.12 1n26 s VAL 112 Ca 0.58 -0.42 0.01 0.00 0.00 0.00 0.00 61.98 62.14 1n26 s VAL 112 Cb -0.33 -2.59 0.02 0.00 0.00 0.00 0.00 36.38 33.48 1n26 s VAL 112 CO 0.33 0.58 -0.09 0.00 0.00 0.00 0.00 175.10 175.91 1n26 s GLU 114 N 1.31 1.31 -0.28 0.00 -1.05 0.12 -0.76 118.70 119.35 1n26 s GLU 114 Ca -0.02 -1.70 -0.16 0.00 -0.15 0.00 0.00 54.97 52.94 1n26 s GLU 114 Cb -0.14 0.11 0.09 0.00 -0.44 0.00 0.00 34.13 33.75 1n26 s GLU 114 CO -0.04 -0.38 0.73 -0.46 0.95 0.00 0.00 175.26 176.06 1n26 s TRP 115 N -3.99 -1.00 -0.33 4.83 -0.00 -0.94 -0.21 118.94 117.30 1n26 s TRP 115 Ca 0.39 2.00 -0.06 0.00 -0.00 0.00 0.00 56.10 58.42 1n26 s TRP 115 Cb 0.07 0.60 0.03 0.00 -0.00 0.00 0.00 33.47 34.17 1n26 s TRP 115 CO 0.13 -0.49 0.10 0.20 -0.00 0.00 0.00 176.95 176.89 1n26 s GLY 116 N 1.59 1.83 0.85 5.86 0.00 -1.26 -0.10 107.32 116.08 1n26 s GLY 116 Ca -0.10 -1.68 -0.13 0.00 0.00 0.00 0.00 44.72 42.82 1n26 s GLY 116 CO -0.19 0.74 0.95 -1.05 0.00 0.00 0.00 173.10 173.55 1n26 n PRO 117 N 4.82 -0.04 0.21 2.90 -0.02 -1.26 -4.89 135.00 136.73 1n26 n PRO 117 Ca -0.13 0.06 0.14 0.00 -2.02 0.00 0.00 63.50 61.55 1n26 n PRO 117 Cb 0.45 -2.24 0.50 0.00 -0.02 0.00 0.00 33.50 32.20 1n26 n PRO 117 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1n26 h ARG 118 N -1.19 0.00 -4.02 -0.52 3.08 -1.98 -3.45 114.38 106.31 1n26 h ARG 118 Ca -0.45 0.00 -0.12 0.00 0.07 0.00 0.00 59.98 59.48 1n26 h ARG 118 Cb 1.30 0.00 -0.16 0.00 0.08 0.00 0.00 29.97 31.18 1n26 h ARG 118 CO 0.42 0.00 -0.59 -1.12 -1.07 0.00 0.00 179.97 177.61 1n26 s SER 119 N -5.34 0.31 -0.25 7.04 0.01 -1.26 -5.11 113.70 109.09 1n26 s SER 119 Ca 0.04 -0.75 -0.29 0.00 1.31 0.00 0.00 55.95 56.26 1n26 s SER 119 Cb 0.09 0.22 -0.03 0.00 0.21 0.00 0.00 66.02 66.50 1n26 s SER 119 CO 0.54 -0.56 1.76 -0.89 0.41 0.00 0.00 173.24 174.51 1n26 s THR 120 N -3.24 3.51 0.56 1.44 2.01 -1.26 -4.96 115.64 113.70 1n26 s THR 120 Ca 0.00 0.55 -0.20 0.00 0.31 0.00 0.00 61.69 62.35 1n26 s THR 120 Cb 0.03 -3.59 -0.05 0.00 0.01 0.00 0.00 72.50 68.90 1n26 s THR 120 CO -0.07 -0.31 1.24 -2.16 -0.69 0.00 0.00 174.62 172.63 1n26 s PRO 121 N 5.21 3.15 1.21 4.92 0.04 -1.26 -5.00 135.00 143.28 1n26 s PRO 121 Ca 0.78 1.94 -0.16 0.00 0.04 0.00 0.00 61.00 63.60 1n26 s PRO 121 Cb -0.25 -2.11 0.26 0.00 0.04 0.00 0.00 34.50 32.44 1n26 s PRO 121 CO 0.32 -1.09 0.70 -1.13 0.04 0.00 0.00 177.00 175.84 1n26 n SER 122 N -1.23 -2.36 0.01 6.66 3.41 -1.26 -4.91 113.62 113.95 1n26 n SER 122 Ca 0.12 -0.28 0.14 0.00 -0.26 0.00 0.00 58.87 58.58 1n26 n SER 122 Cb 0.48 -1.12 0.58 0.00 -0.26 0.00 0.00 64.21 63.89 1n26 n SER 122 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 1n26 n LEU 123 N -4.13 0.12 -1.75 1.04 4.77 -1.26 -3.01 117.00 112.78 1n26 n LEU 123 Ca 0.03 0.49 0.07 0.00 -0.03 0.00 0.00 56.01 56.57 1n26 n LEU 123 Cb 0.56 -0.47 0.39 0.00 -2.33 0.00 0.00 43.42 41.57 1n26 n LEU 123 CO 0.53 -0.02 0.85 0.35 -1.33 0.00 0.00 177.39 177.78 1n26 n THR 124 N -1.59 2.62 -3.47 -5.08 -2.24 -1.26 -4.87 114.28 98.39 1n26 n THR 124 Ca 0.07 -1.45 -0.43 0.00 -2.27 0.00 0.00 64.05 59.97 1n26 n THR 124 Cb 0.35 -0.23 -0.08 0.00 -2.10 0.00 0.00 70.33 68.27 1n26 n THR 124 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 1n26 s THR 125 N -2.69 4.63 0.17 4.28 2.01 -1.17 -4.10 115.64 118.78 1n26 s THR 125 Ca 0.53 -1.55 0.04 0.00 0.31 0.00 0.00 61.69 61.02 1n26 s THR 125 Cb 0.40 -3.95 -0.04 0.00 0.01 0.00 0.00 72.50 68.92 1n26 s THR 125 CO 0.16 -0.73 0.21 -0.54 -0.69 0.00 0.00 174.62 173.03 1n26 s LYS 126 N 1.48 3.13 0.09 4.92 -0.14 -0.29 -4.89 119.74 124.04 1n26 s LYS 126 Ca 0.04 -0.78 0.06 0.00 -1.36 0.00 0.00 55.97 53.93 1n26 s LYS 126 Cb -0.27 -2.77 -0.03 0.00 -1.68 0.00 0.00 37.83 33.08 1n26 s LYS 126 CO 0.02 0.49 -0.15 0.00 -0.76 0.00 0.00 175.35 174.94 1n26 s ALA 127 N -1.79 1.36 0.04 5.17 0.00 -1.26 -0.91 121.76 124.37 1n26 s ALA 127 Ca 0.33 -1.11 -0.11 0.00 0.00 0.00 0.00 51.96 51.06 1n26 s ALA 127 Cb -0.10 -0.12 0.01 0.00 0.00 0.00 0.00 23.12 22.91 1n26 s ALA 127 CO 0.26 0.19 0.24 0.14 0.00 0.00 0.00 175.76 176.59 1n26 s VAL 128 N -1.46 0.10 -0.26 0.00 -7.23 -0.28 -3.23 120.40 108.03 1n26 s VAL 128 Ca 0.02 -0.81 -0.11 0.00 -1.81 0.00 0.00 61.98 59.28 1n26 s VAL 128 Cb -0.09 -0.94 -0.05 0.00 0.56 0.00 0.00 36.38 35.86 1n26 s VAL 128 CO 0.03 -0.45 0.17 -0.22 -0.31 0.00 0.00 175.10 174.32 1n26 s LEU 129 N -2.11 4.03 -0.17 1.32 2.96 -0.19 -1.46 118.68 123.05 1n26 s LEU 129 Ca -0.05 0.03 -0.18 0.00 -0.22 0.00 0.00 54.13 53.72 1n26 s LEU 129 Cb -0.01 -2.10 -0.04 0.00 0.50 0.00 0.00 46.19 44.55 1n26 s LEU 129 CO -0.04 0.01 0.47 -0.76 -1.32 0.00 0.00 176.35 174.71 1n26 s LEU 130 N 1.42 4.20 -0.08 -0.68 1.43 -0.18 -1.75 118.68 123.04 1n26 s LEU 130 Ca 0.07 0.69 0.04 0.00 -1.03 0.00 0.00 54.13 53.90 1n26 s LEU 130 Cb -0.15 -2.65 -0.00 0.00 0.03 0.00 0.00 46.19 43.42 1n26 s LEU 130 CO 0.08 -0.08 -0.22 -0.69 0.23 0.00 0.00 176.35 175.66 1n26 s VAL 131 N 1.15 1.89 -0.22 -1.59 1.01 0.38 -2.16 120.40 120.86 1n26 s VAL 131 Ca 0.23 -0.94 0.01 0.00 0.00 0.00 0.00 61.98 61.28 1n26 s VAL 131 Cb -0.15 -1.63 0.05 0.00 0.00 0.00 0.00 36.38 34.65 1n26 s VAL 131 CO 0.09 0.53 -0.09 -0.60 0.00 0.00 0.00 175.10 175.03 1n26 s ARG 132 N 0.20 1.92 -0.16 2.72 3.52 -0.48 -1.11 118.95 125.55 1n26 s ARG 132 Ca -0.13 -0.95 -0.07 0.00 -0.13 0.00 0.00 55.73 54.46 1n26 s ARG 132 Cb -0.16 -2.52 -0.04 0.00 -1.56 0.00 0.00 34.95 30.67 1n26 s ARG 132 CO 0.06 -0.50 0.07 0.21 -0.81 0.00 0.00 175.30 174.34 1n26 s LYS 133 N 1.36 3.82 -0.48 5.12 2.20 -0.40 -0.92 119.74 130.45 1n26 s LYS 133 Ca -0.04 -0.31 0.01 0.00 -0.36 0.00 0.00 55.97 55.27 1n26 s LYS 133 Cb -0.17 -3.19 0.13 0.00 -1.51 0.00 0.00 37.83 33.08 1n26 s LYS 133 CO -0.07 0.39 0.24 -0.06 -0.36 0.00 0.00 175.35 175.50 1n26 s PHE 134 N 0.04 3.47 0.00 4.03 0.40 -0.76 -0.96 117.98 124.19 1n26 s PHE 134 Ca 0.06 -2.85 0.00 0.00 -0.60 0.00 0.00 56.93 53.54 1n26 s PHE 134 Cb -0.12 -3.03 0.00 0.00 0.51 0.00 0.00 43.02 40.38 1n26 s PHE 134 CO 0.01 -0.87 0.00 0.94 0.70 0.00 0.00 175.22 176.00 1n26 n GLN 135 N 3.80 1.40 0.00 0.44 7.27 -1.26 -2.50 117.38 126.52 1n26 n GLN 135 Ca 0.04 0.00 0.13 0.00 0.07 0.00 0.00 57.00 57.24 1n26 n GLN 135 Cb 0.38 0.00 0.28 0.00 2.41 0.00 0.00 30.24 33.31 1n26 n GLN 135 CO 0.00 0.00 0.00 0.09 0.07 0.00 0.00 177.06 177.22 1n26 n ASN 136 N 0.00 1.78 -4.66 1.69 3.02 -1.26 -4.89 115.26 110.94 1n26 n ASN 136 Ca 0.00 -1.42 -0.28 0.00 -0.03 0.00 0.00 54.58 52.85 1n26 n ASN 136 Cb 0.00 0.15 -0.10 0.00 -0.61 0.00 0.00 39.78 39.22 1n26 n ASN 136 CO 0.00 0.00 0.00 -0.94 -2.62 0.00 0.00 177.26 173.70 1n26 s SER 137 N -2.25 4.01 0.47 6.41 1.04 -1.26 -5.10 113.70 117.02 1n26 s SER 137 Ca 0.28 -1.35 -0.24 0.00 0.48 0.00 0.00 55.95 55.12 1n26 s SER 137 Cb 0.20 -0.31 -0.08 0.00 0.10 0.00 0.00 66.02 65.93 1n26 s SER 137 CO 0.44 -0.52 1.24 -0.81 0.98 0.00 0.00 173.24 174.57 1n26 n PRO 138 N -1.06 1.73 -1.35 4.02 -0.04 -1.26 -4.76 135.00 132.29 1n26 n PRO 138 Ca -0.06 0.62 -0.53 0.00 -0.04 0.00 0.00 63.50 63.50 1n26 n PRO 138 Cb 0.67 -2.39 -0.13 0.00 -0.04 0.00 0.00 33.50 31.61 1n26 n PRO 138 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1n26 n ALA 139 N -0.59 0.30 -2.71 0.55 0.00 -1.26 -4.79 120.51 112.01 1n26 n ALA 139 Ca 0.08 0.01 -0.38 0.00 0.00 0.00 0.00 53.44 53.15 1n26 n ALA 139 Cb 0.42 -2.19 -0.06 0.00 0.00 0.00 0.00 19.45 17.62 1n26 n ALA 139 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.50 175.50 1n26 s GLU 140 N 7.01 4.29 0.09 0.00 2.12 -0.14 -4.85 118.70 127.23 1n26 s GLU 140 Ca 1.24 0.35 -0.04 0.00 0.36 0.00 0.00 54.97 56.88 1n26 s GLU 140 Cb -1.37 -3.46 -0.05 0.00 0.26 0.00 0.00 34.13 29.52 1n26 s GLU 140 CO 0.59 0.12 0.31 -0.51 -0.54 0.00 0.00 175.26 175.23 1n26 s ASP 141 N 0.69 6.46 0.05 -1.70 1.11 -1.26 -1.27 116.67 120.75 1n26 s ASP 141 Ca 0.23 0.50 -0.28 0.00 0.18 0.00 0.00 52.55 53.19 1n26 s ASP 141 Cb -0.15 -2.06 0.10 0.00 1.07 0.00 0.00 42.92 41.88 1n26 s ASP 141 CO 0.09 0.13 1.18 0.72 1.18 0.00 0.00 175.17 178.47 1n26 s PHE 142 N -1.53 -0.02 0.17 4.23 -0.12 -0.27 -5.00 117.98 115.43 1n26 s PHE 142 Ca 0.36 -0.17 0.09 0.00 -0.05 0.00 0.00 56.93 57.16 1n26 s PHE 142 Cb -0.13 0.59 -0.04 0.00 -0.63 0.00 0.00 43.02 42.82 1n26 s PHE 142 CO 0.23 -0.49 -0.19 -0.65 -0.05 0.00 0.00 175.22 174.07 1n26 s GLN 143 N -2.46 1.32 -0.04 1.99 -0.21 -1.26 -0.47 119.66 118.52 1n26 s GLN 143 Ca 0.18 -1.42 0.03 0.00 0.02 0.00 0.00 55.36 54.17 1n26 s GLN 143 Cb 0.01 -1.44 0.01 0.00 1.00 0.00 0.00 33.01 32.59 1n26 s GLN 143 CO -0.00 0.30 -0.11 -1.21 -2.12 0.00 0.00 175.29 172.14 1n26 s GLU 144 N -2.74 1.38 0.99 2.91 0.41 -0.72 -4.97 118.70 115.97 1n26 s GLU 144 Ca 0.16 -0.39 -0.12 0.00 -0.41 0.00 0.00 54.97 54.21 1n26 s GLU 144 Cb -0.06 -1.20 0.19 0.00 -1.78 0.00 0.00 34.13 31.27 1n26 s GLU 144 CO 0.07 0.09 1.10 -1.25 -0.49 0.00 0.00 175.26 174.78 1n26 s PRO 145 N 0.39 0.47 -0.01 0.39 0.04 -1.26 -1.02 135.00 133.99 1n26 s PRO 145 Ca -0.08 0.47 0.01 0.00 0.04 0.00 0.00 61.00 61.44 1n26 s PRO 145 Cb -0.12 -1.75 0.00 0.00 0.04 0.00 0.00 34.50 32.68 1n26 s PRO 145 CO 0.02 -2.70 -0.04 0.00 0.04 0.00 0.00 177.00 174.32 1n26 s GLN 147 N 0.20 2.71 0.01 0.00 1.11 -0.22 -4.58 119.66 118.89 1n26 s GLN 147 Ca -0.02 -0.62 -0.23 0.00 0.01 0.00 0.00 55.36 54.51 1n26 s GLN 147 Cb -0.05 -2.60 -0.05 0.00 -1.01 0.00 0.00 33.01 29.29 1n26 s GLN 147 CO -0.00 0.63 0.67 -0.47 0.01 0.00 0.00 175.29 176.13 1n26 s TYR 148 N -0.98 3.70 -0.33 0.91 5.04 -1.26 -1.35 117.35 123.08 1n26 s TYR 148 Ca 0.16 1.31 -0.07 0.00 -2.44 0.00 0.00 57.07 56.04 1n26 s TYR 148 Cb -0.11 -2.71 0.03 0.00 0.35 0.00 0.00 41.96 39.52 1n26 s TYR 148 CO 0.07 0.30 0.11 0.45 -1.34 0.00 0.00 175.55 175.13 1n26 s SER 149 N -0.06 5.31 0.24 4.32 0.15 -0.42 -4.95 113.70 118.29 1n26 s SER 149 Ca 0.35 -0.97 -0.06 0.00 0.70 0.00 0.00 55.95 55.96 1n26 s SER 149 Cb -0.19 -1.89 0.28 0.00 -1.71 0.00 0.00 66.02 62.51 1n26 s SER 149 CO 0.20 -0.29 1.89 1.56 1.20 0.00 0.00 173.24 177.80 1n26 h GLN 150 N 8.25 1.13 0.00 5.44 1.08 -1.95 1.32 115.11 130.38 1n26 h GLN 150 Ca -0.26 -0.07 0.00 0.00 -1.45 0.00 0.00 58.65 56.87 1n26 h GLN 150 Cb 1.10 -0.26 0.00 0.00 -0.05 0.00 0.00 27.48 28.27 1n26 h GLN 150 CO 0.61 0.75 0.00 0.39 -0.95 0.00 0.00 178.83 179.63 1n26 n GLU 151 N -4.50 0.00 0.30 1.46 1.02 -1.26 -3.24 120.64 114.43 1n26 n GLU 151 Ca 0.12 0.24 0.20 0.00 -0.02 0.00 0.00 57.16 57.69 1n26 n GLU 151 Cb 0.08 -1.13 1.01 0.00 -0.02 0.00 0.00 31.44 31.38 1n26 n GLU 151 CO 0.00 0.00 0.00 0.66 1.18 0.00 0.00 177.13 178.97 1n26 h SER 152 N 0.00 0.00 -4.86 1.62 4.64 -1.98 -3.46 113.55 109.50 1n26 h SER 152 Ca 0.00 0.00 -0.32 0.00 -0.47 0.00 0.00 61.79 61.00 1n26 h SER 152 Cb 0.00 0.00 0.11 0.00 -0.31 0.00 0.00 62.40 62.20 1n26 h SER 152 CO 0.00 0.00 -0.54 0.00 -0.87 0.00 0.00 176.83 175.42 1n26 n GLN 153 N -2.97 -6.38 -4.00 4.77 1.13 0.45 -5.02 117.38 105.37 1n26 n GLN 153 Ca -0.02 0.66 -0.10 0.00 -1.94 0.00 0.00 57.00 55.61 1n26 n GLN 153 Cb 0.13 -5.21 -0.11 0.00 0.11 0.00 0.00 30.24 25.16 1n26 n GLN 153 CO 0.00 0.00 0.00 0.15 -1.44 0.00 0.00 177.06 175.77 1n26 s LYS 154 N -6.05 0.36 0.09 -1.09 1.02 -1.16 -4.08 119.74 108.82 1n26 s LYS 154 Ca 0.47 -0.65 -0.22 0.00 0.02 0.00 0.00 55.97 55.59 1n26 s LYS 154 Cb -0.21 0.04 -0.07 0.00 -0.52 0.00 0.00 37.83 37.07 1n26 s LYS 154 CO 0.58 -0.03 0.65 -0.06 -0.92 0.00 0.00 175.35 175.57 1n26 s PHE 155 N -1.50 3.82 -0.03 3.18 0.40 0.85 -1.30 117.98 123.40 1n26 s PHE 155 Ca -0.14 1.39 -0.02 0.00 -0.60 0.00 0.00 56.93 57.56 1n26 s PHE 155 Cb -0.10 -2.62 0.02 0.00 0.51 0.00 0.00 43.02 40.83 1n26 s PHE 155 CO -0.01 0.51 0.08 0.45 0.70 0.00 0.00 175.22 176.96 1n26 s SER 156 N -0.92 -0.07 0.07 1.36 0.15 -0.46 -2.23 113.70 111.61 1n26 s SER 156 Ca 0.32 0.17 0.01 0.00 0.70 0.00 0.00 55.95 57.15 1n26 s SER 156 Cb -0.21 0.13 -0.04 0.00 -1.71 0.00 0.00 66.02 64.20 1n26 s SER 156 CO 0.21 -0.06 -0.05 0.00 1.20 0.00 0.00 173.24 174.54 1n26 s GLN 158 N -3.13 1.32 -0.07 0.00 -0.21 -1.26 -1.03 119.66 115.28 1n26 s GLN 158 Ca 0.03 -1.06 0.01 0.00 0.02 0.00 0.00 55.36 54.36 1n26 s GLN 158 Cb 0.01 -1.52 0.02 0.00 1.00 0.00 0.00 33.01 32.52 1n26 s GLN 158 CO -0.05 0.37 -0.08 -1.17 -2.12 0.00 0.00 175.29 172.25 1n26 s LEU 159 N -1.51 1.36 -0.34 2.90 2.96 -0.05 -4.87 118.68 119.12 1n26 s LEU 159 Ca 0.08 -0.22 -0.25 0.00 -0.22 0.00 0.00 54.13 53.51 1n26 s LEU 159 Cb -0.09 -0.67 0.01 0.00 0.50 0.00 0.00 46.19 45.94 1n26 s LEU 159 CO 0.03 -0.05 0.89 0.00 -1.32 0.00 0.00 176.35 175.91 1n26 s ALA 160 N 1.06 3.46 -0.28 5.97 0.00 -1.26 -0.45 121.76 130.26 1n26 s ALA 160 Ca -0.08 -0.40 -0.03 0.00 0.00 0.00 0.00 51.96 51.45 1n26 s ALA 160 Cb -0.14 -3.47 0.03 0.00 0.00 0.00 0.00 23.12 19.54 1n26 s ALA 160 CO -0.01 -1.45 0.01 0.08 0.00 0.00 0.00 175.76 174.39 1n26 s VAL 161 N 3.30 3.26 0.80 0.00 1.01 -1.26 -4.99 120.40 122.53 1n26 s VAL 161 Ca 0.37 -1.05 -0.14 0.00 0.00 0.00 0.00 61.98 61.16 1n26 s VAL 161 Cb -0.13 -2.74 0.07 0.00 0.00 0.00 0.00 36.38 33.58 1n26 s VAL 161 CO 0.16 0.05 1.15 -0.81 0.00 0.00 0.00 175.10 175.65 1n26 n PRO 162 N 4.72 0.20 -2.28 2.72 -0.04 -1.26 -4.94 135.00 134.13 1n26 n PRO 162 Ca -0.15 0.14 -0.37 0.00 -0.04 0.00 0.00 63.50 63.09 1n26 n PRO 162 Cb 0.46 -2.40 -0.01 0.00 -0.04 0.00 0.00 33.50 31.51 1n26 n PRO 162 CO 0.00 0.00 0.00 -1.21 -0.04 0.00 0.00 175.50 174.25 1n26 s GLU 163 N -4.01 3.75 0.00 0.54 0.41 -1.26 -2.78 118.70 115.35 1n26 s GLU 163 Ca 0.73 1.74 0.00 0.00 -0.41 0.00 0.00 54.97 57.03 1n26 s GLU 163 Cb -0.29 -2.38 0.00 0.00 -1.78 0.00 0.00 34.13 29.67 1n26 s GLU 163 CO 0.51 -0.55 0.00 0.41 -0.49 0.00 0.00 175.26 175.14 1n26 n GLY 164 N 0.41 0.55 3.65 -1.39 0.00 -1.26 -4.96 105.19 102.19 1n26 n GLY 164 Ca 0.07 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.67 1n26 n GLY 164 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1n26 s ASP 165 N -2.38 6.36 -0.00 1.61 -1.08 -1.12 -4.86 116.67 115.19 1n26 s ASP 165 Ca 0.00 2.39 0.20 0.00 -0.52 0.00 0.00 52.55 54.63 1n26 s ASP 165 Cb 0.00 -2.53 0.59 0.00 -1.46 0.00 0.00 42.92 39.52 1n26 s ASP 165 CO 0.00 -1.16 1.49 -1.20 0.52 0.00 0.00 175.17 174.82 1n26 n SER 166 N 8.08 3.58 -4.78 -0.34 7.64 -1.26 -2.41 113.62 124.12 1n26 n SER 166 Ca 0.21 -2.01 -0.32 0.00 1.01 0.00 0.00 58.87 57.76 1n26 n SER 166 Cb 0.42 -0.45 0.05 0.00 -1.01 0.00 0.00 64.21 63.23 1n26 n SER 166 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 1n26 s SER 167 N -1.00 5.11 0.13 6.43 0.01 -1.26 -4.72 113.70 118.40 1n26 s SER 167 Ca 0.45 1.85 0.04 0.00 1.31 0.00 0.00 55.95 59.60 1n26 s SER 167 Cb 0.23 -2.53 -0.04 0.00 0.21 0.00 0.00 66.02 63.89 1n26 s SER 167 CO 0.30 -1.62 0.16 -0.36 0.41 0.00 0.00 173.24 172.13 1n26 s PHE 168 N -2.63 3.26 0.00 2.43 0.40 -1.04 -0.37 117.98 120.04 1n26 s PHE 168 Ca 0.63 0.06 0.03 0.00 -0.60 0.00 0.00 56.93 57.05 1n26 s PHE 168 Cb -0.18 -1.59 -0.01 0.00 0.51 0.00 0.00 43.02 41.75 1n26 s PHE 168 CO 0.47 0.53 -0.10 0.71 0.70 0.00 0.00 175.22 177.53 1n26 s TYR 169 N -1.64 0.86 -0.17 0.36 1.51 0.11 -1.82 117.35 116.55 1n26 s TYR 169 Ca 0.32 -0.21 0.01 0.00 -1.01 0.00 0.00 57.07 56.18 1n26 s TYR 169 Cb -0.11 -0.54 0.02 0.00 -0.11 0.00 0.00 41.96 41.22 1n26 s TYR 169 CO 0.25 -0.01 -0.18 0.42 -1.11 0.00 0.00 175.55 174.91 1n26 s ILE 170 N -0.39 1.94 0.16 2.71 1.01 -0.10 -1.38 121.20 125.15 1n26 s ILE 170 Ca 0.02 -0.87 0.10 0.00 0.00 0.00 0.00 60.65 59.91 1n26 s ILE 170 Cb -0.05 -1.77 -0.04 0.00 0.01 0.00 0.00 42.46 40.62 1n26 s ILE 170 CO -0.00 0.51 -0.23 0.68 0.00 0.00 0.00 174.94 175.90 1n26 s VAL 171 N 1.34 2.12 -0.13 2.92 -7.23 0.70 -1.38 120.40 118.73 1n26 s VAL 171 Ca 0.05 -1.85 -0.18 0.00 -1.81 0.00 0.00 61.98 58.19 1n26 s VAL 171 Cb -0.13 -1.94 0.04 0.00 0.56 0.00 0.00 36.38 34.91 1n26 s VAL 171 CO -0.12 -0.09 0.46 -0.55 -0.31 0.00 0.00 175.10 174.49 1n26 s SER 172 N -2.37 -0.45 -0.16 4.85 0.15 -0.92 0.02 113.70 114.82 1n26 s SER 172 Ca 0.15 0.77 -0.05 0.00 0.70 0.00 0.00 55.95 57.52 1n26 s SER 172 Cb -0.08 0.80 -0.03 0.00 -1.71 0.00 0.00 66.02 64.99 1n26 s SER 172 CO 0.07 -0.26 0.01 -0.32 1.20 0.00 0.00 173.24 173.94 1n26 s MET 173 N -0.20 3.76 -0.20 5.44 1.75 -1.26 -1.01 119.30 127.58 1n26 s MET 173 Ca -0.04 -0.43 -0.08 0.00 -1.25 0.00 0.00 55.69 53.90 1n26 s MET 173 Cb -0.03 -3.04 -0.04 0.00 2.84 0.00 0.00 34.83 34.56 1n26 s MET 173 CO 0.02 0.30 0.08 0.00 -0.65 0.00 0.00 175.02 174.77 1n26 s VAL 175 N 0.64 1.83 0.02 0.00 1.01 0.12 -1.13 120.40 122.89 1n26 s VAL 175 Ca 0.04 -0.91 0.00 0.00 0.00 0.00 0.00 61.98 61.11 1n26 s VAL 175 Cb -0.13 -1.57 -0.01 0.00 0.00 0.00 0.00 36.38 34.66 1n26 s VAL 175 CO 0.01 0.51 -0.03 0.00 0.00 0.00 0.00 175.10 175.60 1n26 s ALA 176 N 0.16 0.17 0.22 5.51 0.00 -0.09 0.06 121.76 127.80 1n26 s ALA 176 Ca -0.11 -0.43 0.01 0.00 0.00 0.00 0.00 51.96 51.43 1n26 s ALA 176 Cb -0.15 0.08 -0.00 0.00 0.00 0.00 0.00 23.12 23.04 1n26 s ALA 176 CO 0.05 -0.08 0.03 -1.13 0.00 0.00 0.00 175.76 174.63 1n26 n SER 177 N 2.06 2.02 0.00 0.00 3.41 0.19 -1.14 113.62 120.16 1n26 n SER 177 Ca -0.20 -2.05 0.11 0.00 -0.26 0.00 0.00 58.87 56.47 1n26 n SER 177 Cb 0.56 0.30 0.50 0.00 -0.26 0.00 0.00 64.21 65.31 1n26 n SER 177 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 1n26 n SER 178 N -1.42 0.00 -0.15 4.04 3.41 -1.26 -1.09 113.62 117.16 1n26 n SER 178 Ca -0.07 0.38 0.07 0.00 -0.26 0.00 0.00 58.87 58.99 1n26 n SER 178 Cb 0.30 -0.45 0.12 0.00 -0.26 0.00 0.00 64.21 63.91 1n26 n SER 178 CO 0.00 0.00 0.00 1.33 -0.16 0.00 0.00 175.04 176.21 1n26 n VAL 179 N -1.45 1.67 0.00 -3.33 0.24 -1.26 -4.61 118.33 109.58 1n26 n VAL 179 Ca 0.07 -1.87 0.00 0.00 -2.04 0.00 0.00 64.34 60.50 1n26 n VAL 179 Cb 0.24 -0.03 0.00 0.00 -1.47 0.00 0.00 33.84 32.58 1n26 n VAL 179 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1n26 n GLY 180 N -1.05 1.55 3.34 7.63 0.00 -1.22 -4.76 105.19 110.67 1n26 n GLY 180 Ca 0.12 -1.09 -0.13 0.00 0.00 0.00 0.00 46.02 44.93 1n26 n GLY 180 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1n26 s SER 181 N 0.00 -0.31 0.07 1.61 1.04 -1.26 -0.64 113.70 114.21 1n26 s SER 181 Ca 0.00 -0.02 -0.04 0.00 0.48 0.00 0.00 55.95 56.38 1n26 s SER 181 Cb 0.00 0.45 -0.03 0.00 0.10 0.00 0.00 66.02 66.54 1n26 s SER 181 CO 0.00 -0.71 0.05 -0.54 0.98 0.00 0.00 173.24 173.02 1n26 s LYS 182 N -2.68 0.72 0.04 4.02 -0.14 0.11 -4.91 119.74 116.89 1n26 s LYS 182 Ca -0.04 -1.16 0.03 0.00 -1.36 0.00 0.00 55.97 53.44 1n26 s LYS 182 Cb -0.00 0.26 -0.02 0.00 -1.68 0.00 0.00 37.83 36.38 1n26 s LYS 182 CO -0.04 -0.18 -0.09 -0.59 -0.76 0.00 0.00 175.35 173.70 1n26 s PHE 183 N -3.91 0.77 0.72 3.18 -0.12 -1.26 -0.70 117.98 116.66 1n26 s PHE 183 Ca 0.08 -0.44 -0.07 0.00 -0.05 0.00 0.00 56.93 56.45 1n26 s PHE 183 Cb 0.07 -0.46 0.06 0.00 -0.63 0.00 0.00 43.02 42.07 1n26 s PHE 183 CO -0.09 -0.05 1.04 -1.54 -0.05 0.00 0.00 175.22 174.53 1n26 s SER 184 N -1.40 4.77 0.69 1.98 1.04 -0.27 -4.59 113.70 115.93 1n26 s SER 184 Ca -0.07 0.51 -0.16 0.00 0.48 0.00 0.00 55.95 56.72 1n26 s SER 184 Cb -0.09 -1.14 0.02 0.00 0.10 0.00 0.00 66.02 64.91 1n26 s SER 184 CO 0.01 -1.64 1.21 -0.54 0.98 0.00 0.00 173.24 173.25 1n26 s LYS 185 N -5.30 2.37 0.63 4.02 1.02 -1.26 -3.78 119.74 117.43 1n26 s LYS 185 Ca 0.60 1.77 -0.16 0.00 0.02 0.00 0.00 55.97 58.21 1n26 s LYS 185 Cb -0.11 -1.86 -0.02 0.00 -0.52 0.00 0.00 37.83 35.33 1n26 s LYS 185 CO 0.45 -1.66 1.12 0.99 -0.92 0.00 0.00 175.35 175.33 1n26 s THR 186 N -1.88 3.18 -0.17 2.17 2.01 -1.26 -4.72 115.64 114.97 1n26 s THR 186 Ca 0.75 0.60 -0.01 0.00 0.31 0.00 0.00 61.69 63.34 1n26 s THR 186 Cb -0.30 -3.14 0.04 0.00 0.01 0.00 0.00 72.50 69.12 1n26 s THR 186 CO 0.42 -0.29 -0.04 -1.58 -0.69 0.00 0.00 174.62 172.45 1n26 s GLN 187 N -3.86 1.29 -0.05 4.92 2.00 0.10 -4.95 119.66 119.12 1n26 s GLN 187 Ca 0.69 -0.50 0.01 0.00 -2.00 0.00 0.00 55.36 53.56 1n26 s GLN 187 Cb -0.22 -2.00 -0.03 0.00 0.80 0.00 0.00 33.01 31.56 1n26 s GLN 187 CO 0.38 -0.46 -0.04 0.99 -0.50 0.00 0.00 175.29 175.65 1n26 s THR 188 N 1.67 3.90 -0.11 -0.34 2.01 -1.26 -0.22 115.64 121.29 1n26 s THR 188 Ca 0.00 -0.50 -0.30 0.00 0.31 0.00 0.00 61.69 61.20 1n26 s THR 188 Cb -0.16 -2.65 0.12 0.00 0.01 0.00 0.00 72.50 69.83 1n26 s THR 188 CO -0.07 0.53 1.01 0.72 -0.69 0.00 0.00 174.62 176.11 1n26 s PHE 189 N -0.90 -0.30 0.17 4.92 -0.12 -0.48 -4.97 117.98 116.30 1n26 s PHE 189 Ca 0.15 0.34 -0.24 0.00 -0.05 0.00 0.00 56.93 57.13 1n26 s PHE 189 Cb -0.11 0.50 -0.08 0.00 -0.63 0.00 0.00 43.02 42.70 1n26 s PHE 189 CO 0.04 -0.38 0.76 -1.14 -0.05 0.00 0.00 175.22 174.45 1n26 s GLN 190 N -2.13 4.51 0.29 1.99 0.74 -1.26 0.06 119.66 123.87 1n26 s GLN 190 Ca 0.03 1.10 0.03 0.00 0.05 0.00 0.00 55.36 56.57 1n26 s GLN 190 Cb -0.01 -3.20 0.74 0.00 1.10 0.00 0.00 33.01 31.64 1n26 s GLN 190 CO -0.04 0.55 1.64 0.78 -0.55 0.00 0.00 175.29 177.66 1n26 h GLY 191 N 4.19 1.39 -5.37 2.59 0.00 -0.78 -2.07 103.07 103.01 1n26 h GLY 191 Ca -0.47 -0.02 -0.78 0.00 0.00 0.00 0.00 47.33 46.06 1n26 h GLY 191 CO 0.66 -0.40 1.01 0.00 0.00 0.00 0.00 176.54 177.81 1n26 n GLY 193 N -0.39 0.43 0.17 0.00 0.00 -0.78 -4.44 105.19 100.17 1n26 n GLY 193 Ca 0.51 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.59 1n26 n GLY 193 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 1n26 h ILE 194 N 0.00 0.53 -1.25 -0.61 2.10 -1.74 -3.39 117.51 113.15 1n26 h ILE 194 Ca 0.00 -1.75 -0.78 0.00 1.08 0.00 0.00 64.86 63.41 1n26 h ILE 194 Cb 0.00 2.26 0.03 0.00 -1.09 0.00 0.00 36.82 38.02 1n26 h ILE 194 CO 0.00 0.30 0.45 -0.11 -1.08 0.00 0.00 178.15 177.72 1n26 n LEU 195 N -3.17 1.09 -3.55 2.19 7.94 -1.26 -4.29 117.00 115.96 1n26 n LEU 195 Ca 0.03 1.14 -0.23 0.00 -1.11 0.00 0.00 56.01 55.84 1n26 n LEU 195 Cb 0.66 -1.01 -0.15 0.00 0.53 0.00 0.00 43.42 43.45 1n26 n LEU 195 CO 0.38 -1.19 -0.27 -1.58 -1.11 0.00 0.00 177.39 173.62 1n26 s GLN 196 N 1.48 0.14 0.70 1.96 0.74 0.42 0.19 119.66 125.29 1n26 s GLN 196 Ca 0.94 -0.03 -0.14 0.00 0.05 0.00 0.00 55.36 56.19 1n26 s GLN 196 Cb -1.22 -1.45 0.02 0.00 1.10 0.00 0.00 33.01 31.46 1n26 s GLN 196 CO 0.62 -0.72 1.11 -2.14 -0.55 0.00 0.00 175.29 173.61 1n26 s PRO 197 N 2.22 2.57 0.88 1.67 0.02 -1.25 -4.05 135.00 137.06 1n26 s PRO 197 Ca 0.05 1.36 -0.12 0.00 0.02 0.00 0.00 61.00 62.32 1n26 s PRO 197 Cb -0.16 -1.92 0.12 0.00 0.02 0.00 0.00 34.50 32.56 1n26 s PRO 197 CO -0.15 -1.43 1.09 -0.51 -0.33 0.00 0.00 177.00 175.68 1n26 s ASP 198 N -2.76 3.63 0.71 2.53 1.01 -1.26 -4.25 116.67 116.28 1n26 s ASP 198 Ca 0.66 1.45 -0.16 0.00 0.71 0.00 0.00 52.55 55.21 1n26 s ASP 198 Cb -0.20 -2.14 0.02 0.00 1.01 0.00 0.00 42.92 41.61 1n26 s ASP 198 CO 0.46 -2.53 1.26 -2.84 0.21 0.00 0.00 175.17 171.72 1n26 s PRO 199 N -4.97 2.23 0.75 8.23 0.02 -1.26 -4.71 135.00 135.29 1n26 s PRO 199 Ca 0.63 1.93 -0.15 0.00 0.02 0.00 0.00 61.00 63.43 1n26 s PRO 199 Cb -0.17 -1.82 0.00 0.00 0.02 0.00 0.00 34.50 32.53 1n26 s PRO 199 CO 0.56 -1.81 0.81 -2.30 -0.33 0.00 0.00 177.00 173.93 1n26 n PRO 200 N -2.42 0.33 -4.26 5.54 -0.02 -1.26 -4.45 135.00 128.46 1n26 n PRO 200 Ca 0.15 0.17 -0.25 0.00 -2.02 0.00 0.00 63.50 61.54 1n26 n PRO 200 Cb 0.49 -2.09 -0.08 0.00 -0.02 0.00 0.00 33.50 31.80 1n26 n PRO 200 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1n26 s ALA 201 N -1.94 3.13 -0.96 3.55 0.00 0.44 -4.79 121.76 121.20 1n26 s ALA 201 Ca 0.69 -1.50 -0.12 0.00 0.00 0.00 0.00 51.96 51.04 1n26 s ALA 201 Cb -0.33 -0.85 0.02 0.00 0.00 0.00 0.00 23.12 21.95 1n26 s ALA 201 CO 0.54 0.40 0.63 0.09 0.00 0.00 0.00 175.76 177.42 1n26 n ASN 202 N -0.37 -4.65 -4.66 0.00 3.02 -1.26 0.77 115.26 108.11 1n26 n ASN 202 Ca -0.09 -1.07 -0.43 0.00 -0.03 0.00 0.00 54.58 52.96 1n26 n ASN 202 Cb 0.57 -1.72 -0.02 0.00 -0.61 0.00 0.00 39.78 38.00 1n26 n ASN 202 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 1n26 s ILE 203 N -3.17 4.26 -0.02 2.41 -1.09 -1.26 -4.07 121.20 118.25 1n26 s ILE 203 Ca 0.17 1.53 0.06 0.00 -2.23 0.00 0.00 60.65 60.18 1n26 s ILE 203 Cb -0.09 -3.99 -0.02 0.00 -1.58 0.00 0.00 42.46 36.78 1n26 s ILE 203 CO 0.92 -0.12 -0.20 0.42 -1.23 0.00 0.00 174.94 174.72 1n26 s THR 204 N 3.41 2.57 -0.08 2.92 -4.23 -0.82 -4.96 115.64 114.44 1n26 s THR 204 Ca 0.55 -0.99 0.05 0.00 -1.18 0.00 0.00 61.69 60.13 1n26 s THR 204 Cb -0.22 -1.98 -0.01 0.00 1.34 0.00 0.00 72.50 71.63 1n26 s THR 204 CO 0.16 0.53 -0.24 -0.69 -0.54 0.00 0.00 174.62 173.84 1n26 s VAL 205 N -0.72 2.08 -0.04 2.29 1.01 -1.26 -1.64 120.40 122.12 1n26 s VAL 205 Ca 0.11 -1.03 -0.03 0.00 0.00 0.00 0.00 61.98 61.04 1n26 s VAL 205 Cb -0.10 -1.77 0.02 0.00 0.00 0.00 0.00 36.38 34.53 1n26 s VAL 205 CO 0.01 0.56 0.10 -0.89 0.00 0.00 0.00 175.10 174.89 1n26 s THR 206 N 0.10 -0.03 0.33 3.92 2.01 0.34 -4.79 115.64 117.51 1n26 s THR 206 Ca -0.12 0.11 -0.28 0.00 0.31 0.00 0.00 61.69 61.71 1n26 s THR 206 Cb -0.16 -0.17 -0.09 0.00 0.01 0.00 0.00 72.50 72.09 1n26 s THR 206 CO 0.06 0.04 1.16 0.00 -0.69 0.00 0.00 174.62 175.20 1n26 s ALA 207 N 0.65 3.35 -0.41 7.40 0.00 -1.26 0.18 121.76 131.67 1n26 s ALA 207 Ca -0.05 0.99 -0.10 0.00 0.00 0.00 0.00 51.96 52.80 1n26 s ALA 207 Cb -0.07 -3.37 0.06 0.00 0.00 0.00 0.00 23.12 19.74 1n26 s ALA 207 CO -0.03 -0.37 0.25 0.08 0.00 0.00 0.00 175.76 175.69 1n26 s VAL 208 N -1.25 4.33 0.02 0.00 1.01 -1.26 -4.84 120.40 118.41 1n26 s VAL 208 Ca 0.49 -1.25 -0.30 0.00 0.00 0.00 0.00 61.98 60.93 1n26 s VAL 208 Cb -0.33 -3.58 -0.15 0.00 0.00 0.00 0.00 36.38 32.32 1n26 s VAL 208 CO 0.42 -0.43 0.78 0.00 0.00 0.00 0.00 175.10 175.88 1n26 n ALA 209 N 4.94 -2.90 -1.00 5.51 0.00 -1.26 -1.98 120.51 123.82 1n26 n ALA 209 Ca -0.11 0.45 -0.00 0.00 0.00 0.00 0.00 53.44 53.78 1n26 n ALA 209 Cb 0.44 -1.35 -0.00 0.00 0.00 0.00 0.00 19.45 18.53 1n26 n ALA 209 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1n26 n ARG 210 N 1.12 -0.88 -3.69 0.00 1.74 -1.26 -4.95 116.66 108.74 1n26 n ARG 210 Ca 0.15 0.22 -0.29 0.00 -0.77 0.00 0.00 57.85 57.17 1n26 n ARG 210 Cb 0.08 -3.88 -0.12 0.00 -1.02 0.00 0.00 32.46 27.51 1n26 n ARG 210 CO 0.00 0.00 0.00 -0.80 -1.52 0.00 0.00 177.63 175.31 1n26 s ASN 211 N -2.01 3.48 0.63 0.55 0.01 -0.84 -5.00 114.94 111.77 1n26 s ASN 211 Ca 0.00 -3.00 0.23 0.00 -0.71 0.00 0.00 52.86 49.39 1n26 s ASN 211 Cb 0.00 -1.06 1.13 0.00 0.41 0.00 0.00 41.25 41.73 1n26 s ASN 211 CO 0.00 -0.21 1.61 1.55 -1.51 0.00 0.00 177.10 178.55 1n26 h PRO 212 N 6.21 0.00 -0.31 -0.60 0.13 -1.83 -2.06 132.00 133.53 1n26 h PRO 212 Ca 0.08 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.21 1n26 h PRO 212 Cb 0.88 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.01 1n26 h PRO 212 CO 0.52 0.00 0.00 0.54 -0.23 0.00 0.00 178.00 178.83 1n26 n ARG 213 N -3.15 2.92 -4.12 0.86 5.12 -1.26 -4.22 116.66 112.80 1n26 n ARG 213 Ca 0.07 -2.41 -0.32 0.00 -1.93 0.00 0.00 57.85 53.26 1n26 n ARG 213 Cb 0.83 -1.53 -0.07 0.00 -1.16 0.00 0.00 32.46 30.53 1n26 n ARG 213 CO 0.00 0.00 0.00 -1.58 -1.93 0.00 0.00 177.63 174.12 1n26 s TRP 214 N -1.81 3.21 -0.05 -1.55 0.52 -0.77 -1.08 118.94 117.41 1n26 s TRP 214 Ca 0.32 0.14 -0.01 0.00 0.02 0.00 0.00 56.10 56.56 1n26 s TRP 214 Cb 0.22 -1.68 0.03 0.00 -1.15 0.00 0.00 33.47 30.88 1n26 s TRP 214 CO 0.13 0.52 0.03 -0.51 0.02 0.00 0.00 176.95 177.14 1n26 s LEU 215 N -1.91 0.56 -0.35 2.99 1.43 -0.50 -4.07 118.68 116.84 1n26 s LEU 215 Ca 0.24 0.00 -0.18 0.00 -1.03 0.00 0.00 54.13 53.17 1n26 s LEU 215 Cb -0.12 -0.25 -0.00 0.00 0.03 0.00 0.00 46.19 45.85 1n26 s LEU 215 CO 0.16 -0.19 0.50 -0.55 0.23 0.00 0.00 176.35 176.49 1n26 s SER 216 N 1.79 6.30 -0.13 2.29 0.15 0.48 -0.46 113.70 124.13 1n26 s SER 216 Ca 0.01 -0.05 -0.01 0.00 0.70 0.00 0.00 55.95 56.60 1n26 s SER 216 Cb -0.12 -2.26 -0.02 0.00 -1.71 0.00 0.00 66.02 61.90 1n26 s SER 216 CO -0.03 -0.47 -0.10 -0.69 1.20 0.00 0.00 173.24 173.15 1n26 s VAL 217 N 2.36 3.34 0.40 4.45 1.01 0.37 -0.51 120.40 131.83 1n26 s VAL 217 Ca 0.18 -0.57 0.03 0.00 0.00 0.00 0.00 61.98 61.63 1n26 s VAL 217 Cb -0.16 -2.41 -0.04 0.00 0.00 0.00 0.00 36.38 33.77 1n26 s VAL 217 CO 0.13 0.53 0.07 0.42 0.00 0.00 0.00 175.10 176.25 1n26 s THR 218 N 0.18 0.99 0.00 3.92 -4.23 -0.65 0.14 115.64 115.99 1n26 s THR 218 Ca -0.06 -2.00 0.00 0.00 -1.18 0.00 0.00 61.69 58.45 1n26 s THR 218 Cb -0.15 -2.50 0.00 0.00 1.34 0.00 0.00 72.50 71.19 1n26 s THR 218 CO 0.04 0.00 0.00 -2.67 -0.54 0.00 0.00 174.62 171.45 1n26 n TRP 219 N -0.91 0.00 -4.31 3.99 2.14 -0.95 -1.95 117.44 115.44 1n26 n TRP 219 Ca -0.07 0.00 -0.17 0.00 2.07 0.00 0.00 57.50 59.33 1n26 n TRP 219 Cb 0.66 0.00 -0.10 0.00 -0.81 0.00 0.00 31.31 31.06 1n26 n TRP 219 CO 0.00 0.00 0.00 1.14 2.07 0.00 0.00 177.69 180.90 1n26 s GLN 220 N -2.00 1.26 0.54 -2.67 -2.07 0.23 -4.76 119.66 110.20 1n26 s GLN 220 Ca 0.00 -1.60 -0.20 0.00 -1.82 0.00 0.00 55.36 51.74 1n26 s GLN 220 Cb 0.00 -0.74 -0.07 0.00 -1.09 0.00 0.00 33.01 31.11 1n26 s GLN 220 CO 0.00 0.01 0.97 -0.25 -1.32 0.00 0.00 175.29 174.70 1n26 n ASP 221 N -0.35 0.91 -4.81 12.60 10.43 -1.26 -0.42 116.55 133.64 1n26 n ASP 221 Ca -0.07 0.88 -0.33 0.00 2.57 0.00 0.00 54.79 57.84 1n26 n ASP 221 Cb 0.62 -1.38 -0.01 0.00 1.84 0.00 0.00 41.12 42.20 1n26 n ASP 221 CO 0.00 0.00 0.00 -2.16 -1.07 0.00 0.00 177.20 173.97 1n26 s PRO 222 N -2.49 3.57 0.19 -0.24 0.04 -1.26 -4.51 135.00 130.29 1n26 s PRO 222 Ca 0.71 1.15 -0.18 0.00 0.04 0.00 0.00 61.00 62.72 1n26 s PRO 222 Cb -0.46 -2.07 0.14 0.00 0.04 0.00 0.00 34.50 32.15 1n26 s PRO 222 CO 0.51 -0.60 1.62 0.45 0.04 0.00 0.00 177.00 179.01 1n26 h HIS 223 N 0.72 -0.60 0.00 0.56 3.86 -1.92 -1.34 115.15 116.43 1n26 h HIS 223 Ca -0.47 0.06 0.00 0.00 -1.16 0.00 0.00 60.37 58.80 1n26 h HIS 223 Cb 1.21 0.34 0.00 0.00 1.06 0.00 0.00 27.41 30.02 1n26 h HIS 223 CO 0.60 -0.32 0.11 0.66 0.86 0.00 0.00 177.93 179.84 1n26 h SER 224 N -0.12 0.00 -2.31 2.45 4.64 -1.97 -3.28 113.55 112.96 1n26 h SER 224 Ca 0.23 0.00 -0.74 0.00 -0.47 0.00 0.00 61.79 60.82 1n26 h SER 224 Cb 0.49 0.00 -0.18 0.00 -0.31 0.00 0.00 62.40 62.39 1n26 h SER 224 CO -0.59 0.00 1.23 0.86 -0.87 0.00 0.00 176.83 177.46 1n26 s TRP 225 N -4.02 3.53 0.00 4.77 -0.11 -0.51 -4.49 118.94 118.11 1n26 s TRP 225 Ca -0.04 -2.11 0.00 0.00 1.22 0.00 0.00 56.10 55.17 1n26 s TRP 225 Cb 0.11 -4.27 0.00 0.00 -1.50 0.00 0.00 33.47 27.80 1n26 s TRP 225 CO 0.33 -1.37 0.00 0.27 -4.62 0.00 0.00 176.95 171.56 1n26 n ASN 226 N 5.50 0.00 -1.68 5.86 0.23 -1.24 -4.77 115.26 119.16 1n26 n ASN 226 Ca 0.34 -0.27 0.00 0.00 -0.53 0.00 0.00 54.58 54.12 1n26 n ASN 226 Cb 0.43 0.00 0.00 0.00 -2.08 0.00 0.00 39.78 38.13 1n26 n ASN 226 CO 0.00 0.00 0.00 -0.24 -0.93 0.00 0.00 177.26 176.09 1n26 n SER 227 N -0.81 -9.01 -0.27 0.53 2.88 -1.26 -4.81 113.62 100.86 1n26 n SER 227 Ca 0.00 1.30 0.08 0.00 -1.33 0.00 0.00 58.87 58.93 1n26 n SER 227 Cb 0.00 -5.06 -0.03 0.00 -0.75 0.00 0.00 64.21 58.37 1n26 n SER 227 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 1n26 n SER 228 N -0.72 1.41 0.07 -3.46 3.41 -1.26 -4.28 113.62 108.79 1n26 n SER 228 Ca 0.00 -1.20 0.11 0.00 -0.26 0.00 0.00 58.87 57.52 1n26 n SER 228 Cb 0.00 0.62 0.45 0.00 -0.26 0.00 0.00 64.21 65.02 1n26 n SER 228 CO 0.00 0.00 0.00 0.49 -0.16 0.00 0.00 175.04 175.37 1n26 n PHE 229 N -0.47 0.47 -4.40 7.33 0.99 -1.26 -4.63 117.46 115.48 1n26 n PHE 229 Ca 0.06 0.16 -0.28 0.00 -0.00 0.00 0.00 57.45 57.39 1n26 n PHE 229 Cb 0.32 -0.77 -0.17 0.00 -1.00 0.00 0.00 39.48 37.87 1n26 n PHE 229 CO 0.00 0.00 0.00 0.71 -0.00 0.00 0.00 176.76 177.47 1n26 s TYR 230 N -3.12 1.85 0.21 1.38 1.51 -1.26 -5.13 117.35 112.79 1n26 s TYR 230 Ca 0.08 -0.86 0.04 0.00 -1.01 0.00 0.00 57.07 55.33 1n26 s TYR 230 Cb 0.12 -1.36 -0.03 0.00 -0.11 0.00 0.00 41.96 40.58 1n26 s TYR 230 CO 0.43 -0.46 0.32 1.03 -1.11 0.00 0.00 175.55 175.76 1n26 s ARG 231 N 1.03 3.39 -0.05 -0.62 1.81 -1.26 -4.99 118.95 118.26 1n26 s ARG 231 Ca -0.06 -0.73 -0.02 0.00 -1.72 0.00 0.00 55.73 53.20 1n26 s ARG 231 Cb -0.15 -2.89 -0.04 0.00 -0.45 0.00 0.00 34.95 31.43 1n26 s ARG 231 CO -0.02 0.46 0.07 -0.51 -0.68 0.00 0.00 175.30 174.62 1n26 s LEU 232 N -3.70 3.88 -0.01 2.53 1.02 -1.26 -0.45 118.68 120.69 1n26 s LEU 232 Ca 0.34 0.20 0.00 0.00 0.02 0.00 0.00 54.13 54.69 1n26 s LEU 232 Cb -0.10 -2.10 -0.04 0.00 0.02 0.00 0.00 46.19 43.97 1n26 s LEU 232 CO 0.28 0.33 0.03 -0.60 0.02 0.00 0.00 176.35 176.41 1n26 s ARG 233 N -1.37 2.89 0.24 1.70 3.52 0.81 -4.71 118.95 122.04 1n26 s ARG 233 Ca 0.19 -0.55 0.11 0.00 -0.13 0.00 0.00 55.73 55.35 1n26 s ARG 233 Cb -0.12 -2.74 -0.05 0.00 -1.56 0.00 0.00 34.95 30.48 1n26 s ARG 233 CO 0.09 0.64 -0.20 -0.06 -0.81 0.00 0.00 175.30 174.96 1n26 s PHE 234 N -1.10 2.33 -0.05 5.12 0.40 -1.26 -1.91 117.98 121.51 1n26 s PHE 234 Ca 0.20 -0.33 0.03 0.00 -0.60 0.00 0.00 56.93 56.23 1n26 s PHE 234 Cb -0.12 -1.08 0.01 0.00 0.51 0.00 0.00 43.02 42.35 1n26 s PHE 234 CO 0.10 0.62 -0.13 -2.00 0.70 0.00 0.00 175.22 174.52 1n26 s GLU 235 N -3.15 1.59 0.09 0.44 2.12 -0.40 -0.96 118.70 118.43 1n26 s GLU 235 Ca 0.26 -0.43 0.09 0.00 0.36 0.00 0.00 54.97 55.25 1n26 s GLU 235 Cb -0.06 -1.35 -0.04 0.00 0.26 0.00 0.00 34.13 32.94 1n26 s GLU 235 CO 0.13 0.08 -0.20 -1.17 -0.54 0.00 0.00 175.26 173.56 1n26 s LEU 236 N 0.47 2.57 -0.02 2.70 0.20 0.14 -1.89 118.68 122.85 1n26 s LEU 236 Ca -0.11 -0.55 -0.04 0.00 0.69 0.00 0.00 54.13 54.13 1n26 s LEU 236 Cb -0.14 -1.47 0.00 0.00 -0.43 0.00 0.00 46.19 44.16 1n26 s LEU 236 CO 0.03 0.21 0.09 0.00 -0.29 0.00 0.00 176.35 176.39 1n26 s ARG 237 N -1.83 0.20 0.06 1.98 1.70 -0.15 0.18 118.95 121.08 1n26 s ARG 237 Ca 0.16 -0.05 -0.10 0.00 -0.47 0.00 0.00 55.73 55.27 1n26 s ARG 237 Cb -0.10 0.09 0.01 0.00 -0.57 0.00 0.00 34.95 34.37 1n26 s ARG 237 CO 0.07 -0.04 0.21 1.52 -1.08 0.00 0.00 175.30 175.99 1n26 s TYR 238 N -0.39 0.05 0.08 5.89 -0.85 -0.70 0.21 117.35 121.64 1n26 s TYR 238 Ca -0.05 -0.33 -0.21 0.00 -0.52 0.00 0.00 57.07 55.96 1n26 s TYR 238 Cb -0.03 -0.01 0.05 0.00 0.38 0.00 0.00 41.96 42.35 1n26 s TYR 238 CO 0.00 -0.48 0.51 -0.98 -1.52 0.00 0.00 175.55 173.08 1n26 s ARG 239 N -3.01 1.08 0.36 -3.49 1.70 -0.14 -1.68 118.95 113.78 1n26 s ARG 239 Ca -0.02 -0.35 -0.28 0.00 -0.47 0.00 0.00 55.73 54.61 1n26 s ARG 239 Cb 0.01 0.49 -0.10 0.00 -0.57 0.00 0.00 34.95 34.78 1n26 s ARG 239 CO -0.06 -0.41 1.31 0.00 -1.08 0.00 0.00 175.30 175.05 1n26 s ALA 240 N -2.89 3.42 0.47 7.88 0.00 -1.26 0.14 121.76 129.53 1n26 s ALA 240 Ca -0.03 1.26 0.22 0.00 0.00 0.00 0.00 51.96 53.41 1n26 s ALA 240 Cb -0.00 -3.48 1.24 0.00 0.00 0.00 0.00 23.12 20.87 1n26 s ALA 240 CO -0.05 -0.70 1.92 1.49 0.00 0.00 0.00 175.76 178.41 1n26 h GLU 241 N 3.15 0.22 0.00 0.00 4.81 -1.54 -1.39 114.58 119.82 1n26 h GLU 241 Ca -0.49 -0.01 -0.12 0.00 -0.13 0.00 0.00 59.36 58.61 1n26 h GLU 241 Cb 1.23 -0.05 -0.02 0.00 0.63 0.00 0.00 28.75 30.55 1n26 h GLU 241 CO 0.64 0.14 -0.57 0.07 -0.73 0.00 0.00 179.01 178.57 1n26 h ARG 242 N 0.22 0.00 -7.21 1.92 0.11 -1.89 -3.46 114.38 104.07 1n26 h ARG 242 Ca 0.38 0.00 -0.49 0.00 0.10 0.00 0.00 59.98 59.96 1n26 h ARG 242 Cb 1.15 0.00 0.06 0.00 1.11 0.00 0.00 29.97 32.28 1n26 h ARG 242 CO -0.08 0.57 0.27 0.45 0.10 0.00 0.00 179.97 181.29 1n26 s SER 243 N -6.50 5.93 -0.02 0.08 0.15 -0.53 -5.01 113.70 107.80 1n26 s SER 243 Ca 0.03 1.06 0.19 0.00 0.70 0.00 0.00 55.95 57.92 1n26 s SER 243 Cb 0.09 -2.12 -0.29 0.00 -1.71 0.00 0.00 66.02 61.99 1n26 s SER 243 CO 0.75 -0.93 0.44 0.29 1.20 0.00 0.00 173.24 174.99 1n26 n LYS 244 N -2.63 0.60 -4.22 5.44 5.02 -1.26 -4.73 118.16 116.38 1n26 n LYS 244 Ca 0.04 -0.16 -0.34 0.00 -2.02 0.00 0.00 58.31 55.83 1n26 n LYS 244 Cb 0.56 -1.44 -0.11 0.00 -0.02 0.00 0.00 35.03 34.01 1n26 n LYS 244 CO 0.00 0.00 0.00 0.95 -0.52 0.00 0.00 177.40 177.83 1n26 s THR 245 N -3.27 4.29 0.49 -0.18 -4.23 -1.26 -5.10 115.64 106.38 1n26 s THR 245 Ca -0.06 -0.21 -0.19 0.00 -1.18 0.00 0.00 61.69 60.05 1n26 s THR 245 Cb 0.12 -2.91 -0.08 0.00 1.34 0.00 0.00 72.50 70.97 1n26 s THR 245 CO 0.78 0.48 1.01 -0.36 -0.54 0.00 0.00 174.62 175.99 1n26 s PHE 246 N 0.38 3.13 -0.18 3.99 0.40 -1.26 -4.76 117.98 119.69 1n26 s PHE 246 Ca -0.01 1.56 -0.06 0.00 -0.60 0.00 0.00 56.93 57.82 1n26 s PHE 246 Cb -0.13 -2.97 -0.03 0.00 0.51 0.00 0.00 43.02 40.40 1n26 s PHE 246 CO 0.02 -0.64 0.02 0.99 0.70 0.00 0.00 175.22 176.31 1n26 s THR 247 N -2.20 4.36 -0.05 0.64 2.01 -0.67 -4.95 115.64 114.78 1n26 s THR 247 Ca 0.64 -0.19 0.06 0.00 0.31 0.00 0.00 61.69 62.52 1n26 s THR 247 Cb -0.14 -2.95 -0.01 0.00 0.01 0.00 0.00 72.50 69.41 1n26 s THR 247 CO 0.23 0.47 -0.25 -0.89 -0.69 0.00 0.00 174.62 173.48 1n26 s THR 248 N 0.45 2.03 0.02 -0.82 2.01 -1.26 -1.72 115.64 116.34 1n26 s THR 248 Ca 0.00 -1.06 0.02 0.00 0.31 0.00 0.00 61.69 60.96 1n26 s THR 248 Cb -0.13 -1.71 -0.01 0.00 0.01 0.00 0.00 72.50 70.65 1n26 s THR 248 CO 0.02 0.57 -0.07 0.26 -0.69 0.00 0.00 174.62 174.70 1n26 s TRP 249 N -0.26 0.60 -0.19 4.92 0.51 0.13 -5.00 118.94 119.65 1n26 s TRP 249 Ca -0.01 -0.26 -0.21 0.00 -2.12 0.00 0.00 56.10 53.50 1n26 s TRP 249 Cb -0.13 -0.37 -0.02 0.00 -0.81 0.00 0.00 33.47 32.14 1n26 s TRP 249 CO 0.03 -0.03 0.64 -1.64 -0.51 0.00 0.00 176.95 175.43 1n26 s MET 250 N -0.73 4.22 0.02 4.98 -1.94 -1.26 0.28 119.30 124.87 1n26 s MET 250 Ca -0.03 0.63 -0.30 0.00 -1.71 0.00 0.00 55.69 54.29 1n26 s MET 250 Cb -0.05 -3.58 -0.07 0.00 2.01 0.00 0.00 34.83 33.14 1n26 s MET 250 CO 0.00 -0.24 1.63 0.08 -0.01 0.00 0.00 175.02 176.48 1n26 s VAL 251 N 1.90 3.30 0.66 -6.03 1.01 -0.13 -4.93 120.40 116.18 1n26 s VAL 251 Ca 0.29 0.63 -0.11 0.00 0.00 0.00 0.00 61.98 62.79 1n26 s VAL 251 Cb -0.16 -3.40 -0.00 0.00 0.00 0.00 0.00 36.38 32.82 1n26 s VAL 251 CO 0.10 -0.02 1.05 -1.59 0.00 0.00 0.00 175.10 174.64 1n26 s LYS 252 N 3.07 3.07 -1.37 2.72 -2.85 -1.26 -4.31 119.74 118.82 1n26 s LYS 252 Ca 0.73 0.47 0.00 0.00 -1.00 0.00 0.00 55.97 56.17 1n26 s LYS 252 Cb -0.37 -2.08 0.00 0.00 -2.06 0.00 0.00 37.83 33.33 1n26 s LYS 252 CO 0.31 -0.85 0.00 -0.25 0.10 0.00 0.00 175.35 174.65 1n26 n ASP 253 N -2.87 -4.57 -0.94 0.03 10.43 -1.26 -2.10 116.55 115.27 1n26 n ASP 253 Ca 0.06 0.15 -0.12 0.00 2.57 0.00 0.00 54.79 57.45 1n26 n ASP 253 Cb 0.56 -3.88 -0.05 0.00 1.84 0.00 0.00 41.12 39.59 1n26 n ASP 253 CO 0.00 0.00 0.00 0.18 -1.07 0.00 0.00 177.20 176.31 1n26 n LEU 254 N -2.77 -0.64 -4.75 0.64 4.77 -1.26 -4.96 117.00 108.03 1n26 n LEU 254 Ca -0.18 0.30 -0.32 0.00 -0.03 0.00 0.00 56.01 55.79 1n26 n LEU 254 Cb 0.62 -2.39 0.10 0.00 -2.33 0.00 0.00 43.42 39.42 1n26 n LEU 254 CO 0.22 -0.89 0.71 -1.10 -1.33 0.00 0.00 177.39 175.00 1n26 s GLN 255 N -2.94 2.13 -0.31 3.23 -0.21 -0.89 -4.92 119.66 115.74 1n26 s GLN 255 Ca 0.00 1.34 0.09 0.00 0.02 0.00 0.00 55.36 56.81 1n26 s GLN 255 Cb 0.00 -1.87 0.56 0.00 1.00 0.00 0.00 33.01 32.70 1n26 s GLN 255 CO 0.00 -1.77 1.57 0.72 -2.12 0.00 0.00 175.29 173.70 1n26 n HIS 256 N -3.35 1.54 -3.54 0.91 8.25 -1.26 -4.75 115.22 113.02 1n26 n HIS 256 Ca 0.10 -1.54 -0.08 0.00 -0.26 0.00 0.00 57.72 55.94 1n26 n HIS 256 Cb 0.52 -0.57 -0.02 0.00 1.12 0.00 0.00 29.99 31.04 1n26 n HIS 256 CO 0.00 0.00 0.00 -3.38 0.64 0.00 0.00 176.34 173.60 1n26 s HIS 257 N -3.19 -0.35 -0.10 4.41 -3.43 -1.26 -2.24 115.29 109.14 1n26 s HIS 257 Ca 0.47 0.15 -0.30 0.00 -0.80 0.00 0.00 55.06 54.58 1n26 s HIS 257 Cb 0.42 0.57 0.12 0.00 -1.43 0.00 0.00 32.58 32.25 1n26 s HIS 257 CO 0.04 -0.70 0.99 0.00 -2.00 0.00 0.00 174.74 173.07 1n26 s VAL 259 N -2.26 3.28 -0.06 0.00 1.01 -1.26 -0.48 120.40 120.63 1n26 s VAL 259 Ca 0.03 -0.61 -0.30 0.00 0.00 0.00 0.00 61.98 61.10 1n26 s VAL 259 Cb -0.01 -2.53 -0.04 0.00 0.00 0.00 0.00 36.38 33.80 1n26 s VAL 259 CO -0.05 0.37 1.40 -0.63 0.00 0.00 0.00 175.10 176.19 1n26 s ILE 260 N 1.45 3.89 -2.23 2.22 1.01 0.39 -4.88 121.20 123.05 1n26 s ILE 260 Ca 0.05 1.18 0.19 0.00 0.00 0.00 0.00 60.65 62.07 1n26 s ILE 260 Cb -0.15 -3.76 0.27 0.00 0.01 0.00 0.00 42.46 38.83 1n26 s ILE 260 CO -0.04 -0.05 1.22 1.41 0.00 0.00 0.00 174.94 177.48 1n26 n HIS 261 N 6.08 0.24 -2.65 3.97 8.25 -1.26 -1.41 115.22 128.44 1n26 n HIS 261 Ca 0.14 -0.14 0.02 0.00 -0.26 0.00 0.00 57.72 57.48 1n26 n HIS 261 Cb 0.44 -0.00 0.03 0.00 1.12 0.00 0.00 29.99 31.58 1n26 n HIS 261 CO 0.00 0.00 0.00 -0.40 0.64 0.00 0.00 176.34 176.58 1n26 n ASP 262 N 1.16 1.23 -4.76 0.41 3.85 -1.03 -4.65 116.55 112.77 1n26 n ASP 262 Ca 0.14 -2.01 -0.35 0.00 -0.71 0.00 0.00 54.79 51.86 1n26 n ASP 262 Cb 0.51 -0.37 0.03 0.00 -1.35 0.00 0.00 41.12 39.94 1n26 n ASP 262 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.20 176.19 1n26 s ALA 263 N -1.66 2.55 -0.22 2.12 0.00 -0.24 -4.96 121.76 119.34 1n26 s ALA 263 Ca 0.31 0.84 -0.29 0.00 0.00 0.00 0.00 51.96 52.82 1n26 s ALA 263 Cb 0.36 -3.39 -0.01 0.00 0.00 0.00 0.00 23.12 20.07 1n26 s ALA 263 CO -0.11 -1.10 1.40 -1.58 0.00 0.00 0.00 175.76 174.37 1n26 s TRP 264 N -1.84 2.52 0.05 0.00 0.52 -1.26 -4.53 118.94 114.39 1n26 s TRP 264 Ca 0.73 0.77 -0.38 0.00 0.02 0.00 0.00 56.10 57.24 1n26 s TRP 264 Cb -0.26 -3.82 -0.18 0.00 -1.15 0.00 0.00 33.47 28.05 1n26 s TRP 264 CO 0.33 -2.20 1.18 0.45 0.02 0.00 0.00 176.95 176.73 1n26 n SER 265 N 7.53 0.70 0.00 2.95 2.88 -1.26 -1.62 113.62 124.80 1n26 n SER 265 Ca 0.16 1.14 0.00 0.00 -1.33 0.00 0.00 58.87 58.84 1n26 n SER 265 Cb 0.45 -1.04 0.00 0.00 -0.75 0.00 0.00 64.21 62.87 1n26 n SER 265 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1n26 n GLY 266 N 1.95 0.82 3.86 0.46 0.00 -1.26 -4.98 105.19 106.04 1n26 n GLY 266 Ca 0.19 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.86 1n26 n GLY 266 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1n26 s LEU 267 N 0.00 4.36 0.28 0.99 1.43 -0.64 -4.89 118.68 120.21 1n26 s LEU 267 Ca 0.00 0.84 -0.29 0.00 -1.03 0.00 0.00 54.13 53.64 1n26 s LEU 267 Cb 0.00 -2.95 -0.10 0.00 0.03 0.00 0.00 46.19 43.18 1n26 s LEU 267 CO 0.00 0.19 1.15 -0.13 0.23 0.00 0.00 176.35 177.79 1n26 s ARG 268 N -1.80 4.57 0.19 1.70 0.52 -1.26 -4.15 118.95 118.72 1n26 s ARG 268 Ca 0.32 1.90 0.07 0.00 -0.52 0.00 0.00 55.73 57.50 1n26 s ARG 268 Cb -0.14 -3.17 -0.05 0.00 0.52 0.00 0.00 34.95 32.11 1n26 s ARG 268 CO 0.17 0.10 -0.13 -1.01 0.02 0.00 0.00 175.30 174.45 1n26 s HIS 269 N -1.06 1.62 -0.06 -0.53 3.76 0.27 -1.39 115.29 117.89 1n26 s HIS 269 Ca 0.46 -0.61 0.02 0.00 -0.15 0.00 0.00 55.06 54.78 1n26 s HIS 269 Cb -0.34 -0.76 -0.03 0.00 1.11 0.00 0.00 32.58 32.56 1n26 s HIS 269 CO 0.43 0.30 -0.11 0.08 -0.85 0.00 0.00 174.74 174.59 1n26 s VAL 270 N -3.05 3.32 0.01 -0.90 1.01 0.12 -1.93 120.40 118.99 1n26 s VAL 270 Ca 0.21 -0.62 0.04 0.00 0.00 0.00 0.00 61.98 61.62 1n26 s VAL 270 Cb -0.00 -2.33 -0.01 0.00 0.00 0.00 0.00 36.38 34.03 1n26 s VAL 270 CO 0.06 0.59 -0.14 -0.69 0.00 0.00 0.00 175.10 174.92 1n26 s VAL 271 N -0.66 1.07 0.03 2.92 1.01 0.27 -0.96 120.40 124.07 1n26 s VAL 271 Ca 0.10 -0.72 -0.01 0.00 0.00 0.00 0.00 61.98 61.35 1n26 s VAL 271 Cb -0.11 -0.92 -0.03 0.00 0.00 0.00 0.00 36.38 35.32 1n26 s VAL 271 CO 0.01 0.19 -0.02 -1.10 0.00 0.00 0.00 175.10 174.18 1n26 s GLN 272 N -0.61 0.44 0.02 2.72 -0.21 0.13 -1.20 119.66 120.94 1n26 s GLN 272 Ca 0.04 -0.82 0.01 0.00 0.02 0.00 0.00 55.36 54.61 1n26 s GLN 272 Cb -0.06 0.16 -0.01 0.00 1.00 0.00 0.00 33.01 34.09 1n26 s GLN 272 CO 0.00 -0.08 -0.05 -0.51 -2.12 0.00 0.00 175.29 172.53 1n26 s LEU 273 N -2.01 2.12 0.03 2.90 2.01 -1.26 -0.98 118.68 121.49 1n26 s LEU 273 Ca -0.07 -0.29 0.00 0.00 0.01 0.00 0.00 54.13 53.78 1n26 s LEU 273 Cb -0.03 -0.15 -0.03 0.00 0.01 0.00 0.00 46.19 46.00 1n26 s LEU 273 CO -0.04 -0.08 -0.04 0.00 1.01 0.00 0.00 176.35 177.20 1n26 s ARG 274 N -0.78 0.41 0.10 1.70 1.70 -0.79 0.09 118.95 121.38 1n26 s ARG 274 Ca -0.05 -0.77 0.09 0.00 -0.47 0.00 0.00 55.73 54.54 1n26 s ARG 274 Cb -0.05 0.08 -0.04 0.00 -0.57 0.00 0.00 34.95 34.37 1n26 s ARG 274 CO -0.00 -0.05 -0.24 0.00 -1.08 0.00 0.00 175.30 173.93 1n26 s ALA 275 N -2.00 2.07 -0.01 7.88 0.00 -1.26 -1.27 121.76 127.16 1n26 s ALA 275 Ca -0.10 -1.33 -0.01 0.00 0.00 0.00 0.00 51.96 50.53 1n26 s ALA 275 Cb -0.06 -0.33 0.01 0.00 0.00 0.00 0.00 23.12 22.75 1n26 s ALA 275 CO -0.03 0.45 0.03 -1.14 0.00 0.00 0.00 175.76 175.07 1n26 s GLN 276 N -1.86 0.01 0.11 0.00 0.74 -0.80 0.47 119.66 118.33 1n26 s GLN 276 Ca 0.10 0.09 -0.36 0.00 0.05 0.00 0.00 55.36 55.24 1n26 s GLN 276 Cb -0.10 -0.07 -0.16 0.00 1.10 0.00 0.00 33.01 33.78 1n26 s GLN 276 CO 0.05 -0.05 1.28 -1.91 -0.55 0.00 0.00 175.29 174.10 1n26 n GLU 277 N 3.42 1.15 -0.00 1.67 0.00 -1.26 -0.13 120.64 125.48 1n26 n GLU 277 Ca -0.17 0.41 0.20 0.00 0.00 0.00 0.00 57.16 57.60 1n26 n GLU 277 Cb 0.57 -2.01 0.45 0.00 0.00 0.00 0.00 31.44 30.45 1n26 n GLU 277 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 177.13 178.18 1n26 h GLU 278 N 4.18 0.00 -0.63 5.31 4.11 -1.05 -0.10 114.58 126.40 1n26 h GLU 278 Ca -0.46 0.00 0.00 0.00 0.07 0.00 0.00 59.36 58.97 1n26 h GLU 278 Cb 1.34 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.59 1n26 h GLU 278 CO 0.75 0.00 0.00 1.19 0.07 0.00 0.00 179.01 181.02 1n26 n PHE 279 N -3.16 0.90 -2.34 2.06 3.01 -1.26 -4.90 117.46 111.78 1n26 n PHE 279 Ca 0.14 -0.51 -0.04 0.00 1.01 0.00 0.00 57.45 58.05 1n26 n PHE 279 Cb 1.15 -0.03 0.00 0.00 -0.01 0.00 0.00 39.48 40.60 1n26 n PHE 279 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1n26 n GLY 280 N 1.32 0.45 3.66 1.37 0.00 -0.05 -5.05 105.19 106.90 1n26 n GLY 280 Ca 0.22 -0.65 -0.35 0.00 0.00 0.00 0.00 46.02 45.24 1n26 n GLY 280 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1n26 s GLN 281 N -4.63 3.41 1.63 1.61 0.74 -1.25 -4.97 119.66 116.19 1n26 s GLN 281 Ca 0.04 -0.38 0.00 0.00 0.05 0.00 0.00 55.36 55.08 1n26 s GLN 281 Cb -0.02 -2.97 0.00 0.00 1.10 0.00 0.00 33.01 31.12 1n26 s GLN 281 CO 0.05 0.53 0.00 0.41 -0.55 0.00 0.00 175.29 175.73 1n26 n GLY 282 N 2.71 -1.62 3.62 2.59 0.00 -1.26 -4.13 105.19 107.10 1n26 n GLY 282 Ca -0.18 -1.41 -0.26 0.00 0.00 0.00 0.00 46.02 44.17 1n26 n GLY 282 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1n26 s GLU 283 N 0.00 1.99 0.45 1.61 0.41 0.13 -4.96 118.70 118.33 1n26 s GLU 283 Ca 0.00 -1.93 -0.23 0.00 -0.41 0.00 0.00 54.97 52.40 1n26 s GLU 283 Cb 0.00 -1.78 -0.08 0.00 -1.78 0.00 0.00 34.13 30.49 1n26 s GLU 283 CO 0.00 0.04 1.11 -1.58 -0.49 0.00 0.00 175.26 174.34 1n26 s TRP 284 N -2.62 2.98 0.93 1.61 0.52 -1.26 -4.27 118.94 116.84 1n26 s TRP 284 Ca 0.35 1.57 -0.11 0.00 0.02 0.00 0.00 56.10 57.93 1n26 s TRP 284 Cb 0.04 -3.26 0.15 0.00 -1.15 0.00 0.00 33.47 29.26 1n26 s TRP 284 CO 0.19 -1.17 1.09 -1.54 0.02 0.00 0.00 176.95 175.53 1n26 s SER 285 N -1.53 3.05 0.63 2.95 1.04 0.18 -4.82 113.70 115.19 1n26 s SER 285 Ca 0.63 1.64 -0.16 0.00 0.48 0.00 0.00 55.95 58.54 1n26 s SER 285 Cb -0.25 -2.29 -0.02 0.00 0.10 0.00 0.00 66.02 63.57 1n26 s SER 285 CO 0.30 -2.93 1.13 -1.61 0.98 0.00 0.00 173.24 171.11 1n26 s GLU 286 N -4.80 2.91 0.53 4.02 0.41 -1.26 -4.53 118.70 115.98 1n26 s GLU 286 Ca 0.65 1.51 -0.22 0.00 -0.41 0.00 0.00 54.97 56.50 1n26 s GLU 286 Cb -0.20 -1.95 -0.05 0.00 -1.78 0.00 0.00 34.13 30.15 1n26 s GLU 286 CO 0.58 -1.18 1.29 -1.58 -0.49 0.00 0.00 175.26 173.88 1n26 s TRP 287 N -2.11 2.42 0.81 1.61 0.52 -1.26 -4.26 118.94 116.68 1n26 s TRP 287 Ca 0.70 1.43 -0.11 0.00 0.02 0.00 0.00 56.10 58.14 1n26 s TRP 287 Cb -0.23 -3.66 0.08 0.00 -1.15 0.00 0.00 33.47 28.51 1n26 s TRP 287 CO 0.37 -2.50 1.09 -1.54 0.02 0.00 0.00 176.95 174.39 1n26 s SER 288 N -1.13 4.26 0.52 2.95 1.04 0.11 -4.91 113.70 116.54 1n26 s SER 288 Ca 0.71 1.53 -0.22 0.00 0.48 0.00 0.00 55.95 58.45 1n26 s SER 288 Cb -0.36 -2.26 -0.06 0.00 0.10 0.00 0.00 66.02 63.44 1n26 s SER 288 CO 0.43 -2.15 1.27 -2.65 0.98 0.00 0.00 173.24 171.12 1n26 n PRO 289 N -3.57 1.60 -1.68 4.02 -0.02 -1.26 -4.56 135.00 129.53 1n26 n PRO 289 Ca 0.08 0.59 -0.45 0.00 -2.02 0.00 0.00 63.50 61.69 1n26 n PRO 289 Cb 0.55 -2.45 -0.04 0.00 -0.02 0.00 0.00 33.50 31.54 1n26 n PRO 289 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 1n26 n GLU 290 N -0.75 2.32 -5.09 -0.52 1.02 -1.26 -4.86 120.64 111.50 1n26 n GLU 290 Ca 0.10 0.84 -0.32 0.00 -0.02 0.00 0.00 57.16 57.76 1n26 n GLU 290 Cb 0.44 -2.63 -0.15 0.00 -0.02 0.00 0.00 31.44 29.08 1n26 n GLU 290 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1n26 s ALA 291 N 0.98 2.37 0.26 0.62 0.00 -0.34 -4.94 121.76 120.71 1n26 s ALA 291 Ca 0.78 -1.00 0.09 0.00 0.00 0.00 0.00 51.96 51.82 1n26 s ALA 291 Cb -0.63 -0.84 -0.05 0.00 0.00 0.00 0.00 23.12 21.59 1n26 s ALA 291 CO 0.36 0.42 -0.12 0.00 0.00 0.00 0.00 175.76 176.42 1n26 s MET 292 N -0.20 1.54 0.06 0.00 0.23 -1.26 0.94 119.30 120.61 1n26 s MET 292 Ca -0.02 -1.73 -0.27 0.00 -1.03 0.00 0.00 55.69 52.64 1n26 s MET 292 Cb -0.13 -1.35 0.09 0.00 -1.53 0.00 0.00 34.83 31.90 1n26 s MET 292 CO 0.03 0.17 0.94 0.20 -2.03 0.00 0.00 175.02 174.33 1n26 s GLY 293 N -3.44 -0.36 -0.01 3.16 0.00 -0.81 -4.65 107.32 101.21 1n26 s GLY 293 Ca 0.28 0.61 0.03 0.00 0.00 0.00 0.00 44.72 45.64 1n26 s GLY 293 CO 0.11 0.18 -0.10 -0.51 0.00 0.00 0.00 173.10 172.78 1n26 s THR 294 N -3.15 0.82 1.01 0.90 -4.23 -1.26 -0.56 115.64 109.17 1n26 s THR 294 Ca 0.09 -0.43 -0.11 0.00 -1.18 0.00 0.00 61.69 60.05 1n26 s THR 294 Cb -0.01 -0.70 0.20 0.00 1.34 0.00 0.00 72.50 73.33 1n26 s THR 294 CO -0.04 0.24 1.10 -2.84 -0.54 0.00 0.00 174.62 172.54 1n26 s PRO 295 N -0.15 0.26 0.57 3.99 0.02 -1.26 -4.33 135.00 134.11 1n26 s PRO 295 Ca 0.02 1.26 -0.20 0.00 0.02 0.00 0.00 61.00 62.10 1n26 s PRO 295 Cb -0.05 -1.66 -0.04 0.00 0.02 0.00 0.00 34.50 32.77 1n26 s PRO 295 CO -0.00 -3.06 1.30 -0.46 -0.33 0.00 0.00 177.00 174.46 1n26 s TRP 296 N -2.58 2.28 0.18 6.54 -0.00 -1.26 -4.58 118.94 119.52 1n26 s TRP 296 Ca 0.67 1.44 -0.10 0.00 -0.00 0.00 0.00 56.10 58.11 1n26 s TRP 296 Cb -0.24 -3.69 -0.00 0.00 -0.00 0.00 0.00 33.47 29.54 1n26 s TRP 296 CO 0.61 -2.71 0.33 0.95 -0.00 0.00 0.00 176.95 176.13 1n26 s THR 297 N -1.39 0.05 0.20 5.86 -4.23 -1.26 -4.34 115.64 110.54 1n26 s THR 297 Ca 0.75 -1.31 -0.14 0.00 -1.18 0.00 0.00 61.69 59.80 1n26 s THR 297 Cb -0.37 -1.85 -0.07 0.00 1.34 0.00 0.00 72.50 71.55 1n26 s THR 297 CO 0.42 -0.24 0.60 -1.61 -0.54 0.00 0.00 174.62 173.25 1n26 s GLU 298 N -3.96 3.98 0.00 3.99 2.02 -1.26 -4.98 118.70 118.49 1n26 s GLU 298 Ca 0.17 0.52 0.00 0.00 0.02 0.00 0.00 54.97 55.68 1n26 s GLU 298 Cb 0.02 -2.79 0.00 0.00 0.10 0.00 0.00 34.13 31.46 1n26 s GLU 298 CO 0.01 0.38 0.39 0.43 0.02 0.00 0.00 175.26 176.49