#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1t61 s LEU 7 N 0.00 2.44 -0.04 4.37 1.43 -1.26 -0.48 118.68 125.13 1t61 s LEU 7 Ca 0.00 -0.87 0.01 0.00 -1.03 0.00 0.00 54.13 52.24 1t61 s LEU 7 Cb 0.00 -1.15 0.02 0.00 0.03 0.00 0.00 46.19 45.09 1t61 s LEU 7 CO 0.00 0.11 -0.03 0.54 0.23 0.00 0.00 176.35 177.20 1t61 s VAL 8 N -1.71 0.44 -0.10 -1.59 0.11 0.99 -4.82 120.40 113.71 1t61 s VAL 8 Ca 0.21 -0.06 -0.00 0.00 -2.93 0.00 0.00 61.98 59.20 1t61 s VAL 8 Cb -0.08 -0.49 -0.03 0.00 -1.53 0.00 0.00 36.38 34.26 1t61 s VAL 8 CO 0.10 0.21 -0.08 -0.89 -3.33 0.00 0.00 175.10 171.10 1t61 s THR 9 N 1.02 3.54 0.00 5.04 2.01 -1.24 0.00 115.64 126.01 1t61 s THR 9 Ca -0.10 -0.51 0.06 0.00 0.31 0.00 0.00 61.69 61.45 1t61 s THR 9 Cb -0.14 -2.48 -0.02 0.00 0.01 0.00 0.00 72.50 69.87 1t61 s THR 9 CO -0.01 0.55 -0.19 -0.60 -0.69 0.00 0.00 174.62 173.68 1t61 s ARG 10 N -0.20 1.45 -0.14 4.92 3.52 0.21 -4.77 118.95 123.93 1t61 s ARG 10 Ca 0.02 -0.75 0.01 0.00 -0.13 0.00 0.00 55.73 54.88 1t61 s ARG 10 Cb -0.13 -1.45 -0.00 0.00 -1.56 0.00 0.00 34.95 31.81 1t61 s ARG 10 CO 0.03 0.39 -0.18 -1.01 -0.81 0.00 0.00 175.30 173.72 1t61 s HIS 11 N -0.56 2.73 0.21 5.12 3.76 -1.26 -0.57 115.29 124.71 1t61 s HIS 11 Ca 0.07 -1.06 0.08 0.00 -0.15 0.00 0.00 55.06 54.00 1t61 s HIS 11 Cb -0.08 -1.84 0.13 0.00 1.11 0.00 0.00 32.58 31.90 1t61 s HIS 11 CO 0.00 -0.46 1.47 0.66 -0.85 0.00 0.00 174.74 175.56 1t61 h SER 12 N 7.15 0.05 -0.73 1.40 4.64 -1.40 -3.46 113.55 121.20 1t61 h SER 12 Ca -0.30 -0.04 -0.26 0.00 -0.47 0.00 0.00 61.79 60.73 1t61 h SER 12 Cb 1.20 -0.02 -0.09 0.00 -0.31 0.00 0.00 62.40 63.18 1t61 h SER 12 CO 0.55 0.80 -0.24 0.00 -0.87 0.00 0.00 176.83 177.07 1t61 n GLN 13 N -3.65 -0.89 -4.17 4.77 6.02 -1.26 -4.94 117.38 113.26 1t61 n GLN 13 Ca -0.01 0.91 -0.16 0.00 -0.01 0.00 0.00 57.00 57.72 1t61 n GLN 13 Cb 0.74 -4.96 -0.06 0.00 1.02 0.00 0.00 30.24 26.98 1t61 n GLN 13 CO 0.00 0.00 0.00 0.95 -1.01 0.00 0.00 177.06 177.00 1t61 s THR 14 N -2.49 0.00 -1.65 5.09 -4.23 -1.26 -3.98 115.64 107.12 1t61 s THR 14 Ca 0.00 -1.79 0.31 0.00 -1.18 0.00 0.00 61.69 59.03 1t61 s THR 14 Cb 0.00 -2.56 0.65 0.00 1.34 0.00 0.00 72.50 71.94 1t61 s THR 14 CO 0.00 0.00 2.10 0.35 -0.54 0.00 0.00 174.62 176.53 1t61 n THR 15 N -0.56 0.00 -3.87 3.99 -2.24 -1.26 -1.95 114.28 108.39 1t61 n THR 15 Ca 0.04 -0.01 -0.34 0.00 -2.27 0.00 0.00 64.05 61.47 1t61 n THR 15 Cb 0.62 -0.46 -0.05 0.00 -2.10 0.00 0.00 70.33 68.34 1t61 n THR 15 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 1t61 s ASP 16 N -2.36 6.40 0.36 3.42 1.01 -1.26 -4.84 116.67 119.41 1t61 s ASP 16 Ca 0.35 0.40 -0.28 0.00 0.71 0.00 0.00 52.55 53.74 1t61 s ASP 16 Cb 0.21 -2.02 -0.10 0.00 1.01 0.00 0.00 42.92 42.01 1t61 s ASP 16 CO 0.43 0.26 1.37 -1.81 0.21 0.00 0.00 175.17 175.63 1t61 s ASP 17 N -1.88 6.51 0.60 0.27 1.01 -1.26 -4.58 116.67 117.35 1t61 s ASP 17 Ca 0.27 2.81 -0.09 0.00 0.71 0.00 0.00 52.55 56.26 1t61 s ASP 17 Cb -0.13 -2.65 -0.02 0.00 1.01 0.00 0.00 42.92 41.13 1t61 s ASP 17 CO 0.18 -0.73 0.96 -2.16 0.21 0.00 0.00 175.17 173.63 1t61 s PRO 18 N -2.00 3.32 0.06 8.23 0.04 -1.26 -4.99 135.00 138.40 1t61 s PRO 18 Ca 0.52 0.43 -0.06 0.00 0.04 0.00 0.00 61.00 61.93 1t61 s PRO 18 Cb -0.42 -2.17 -0.05 0.00 0.04 0.00 0.00 34.50 31.90 1t61 s PRO 18 CO 0.56 -0.60 0.31 -0.65 0.04 0.00 0.00 177.00 176.66 1t61 s GLN 19 N -5.08 3.60 0.31 4.56 -0.21 -1.26 -4.69 119.66 116.89 1t61 s GLN 19 Ca 0.54 -0.08 -0.29 0.00 0.02 0.00 0.00 55.36 55.55 1t61 s GLN 19 Cb -0.11 -3.00 -0.10 0.00 1.00 0.00 0.00 33.01 30.80 1t61 s GLN 19 CO 0.50 0.59 1.35 0.00 -2.12 0.00 0.00 175.29 175.61 1t61 s PRO 21 N -1.44 2.02 0.11 0.00 0.04 -1.26 -4.86 135.00 129.62 1t61 s PRO 21 Ca 0.52 1.65 -0.34 0.00 0.04 0.00 0.00 61.00 62.87 1t61 s PRO 21 Cb -0.41 -1.83 -0.13 0.00 0.04 0.00 0.00 34.50 32.17 1t61 s PRO 21 CO 0.51 -1.90 1.64 -0.35 0.04 0.00 0.00 177.00 176.95 1t61 n PRO 22 N -3.00 2.16 0.00 0.56 -0.04 -1.26 -1.77 135.00 131.65 1t61 n PRO 22 Ca 0.13 0.78 0.00 0.00 -0.04 0.00 0.00 63.50 64.37 1t61 n PRO 22 Cb 0.51 -2.57 0.00 0.00 -0.04 0.00 0.00 33.50 31.40 1t61 n PRO 22 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1t61 n GLY 23 N 3.63 0.79 3.65 0.55 0.00 -1.26 -5.06 105.19 107.49 1t61 n GLY 23 Ca 0.18 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.95 1t61 n GLY 23 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1t61 s THR 24 N -2.09 3.54 -0.06 2.61 -4.23 -0.73 -4.46 115.64 110.22 1t61 s THR 24 Ca 0.00 -1.68 0.02 0.00 -1.18 0.00 0.00 61.69 58.85 1t61 s THR 24 Cb 0.00 -2.83 -0.03 0.00 1.34 0.00 0.00 72.50 70.98 1t61 s THR 24 CO 0.00 -0.24 -0.12 -0.54 -0.54 0.00 0.00 174.62 173.18 1t61 s LYS 25 N -3.29 2.63 0.24 3.99 1.02 -0.08 -4.81 119.74 119.43 1t61 s LYS 25 Ca 0.29 -0.64 -0.30 0.00 0.02 0.00 0.00 55.97 55.34 1t61 s LYS 25 Cb -0.08 -2.46 -0.09 0.00 -0.52 0.00 0.00 37.83 34.68 1t61 s LYS 25 CO 0.19 0.62 1.23 -1.50 -0.92 0.00 0.00 175.35 174.97 1t61 s ILE 26 N -0.71 3.29 -0.13 2.17 -1.16 -1.26 0.60 121.20 124.00 1t61 s ILE 26 Ca 0.11 1.16 -0.06 0.00 -0.51 0.00 0.00 60.65 61.35 1t61 s ILE 26 Cb -0.11 -3.74 -0.06 0.00 0.61 0.00 0.00 42.46 39.17 1t61 s ILE 26 CO 0.01 0.22 -0.16 0.18 -2.81 0.00 0.00 174.94 172.38 1t61 n LEU 27 N 1.95 1.01 -3.60 8.50 4.77 0.18 -4.85 117.00 124.95 1t61 n LEU 27 Ca 0.03 0.14 -0.05 0.00 -0.03 0.00 0.00 56.01 56.10 1t61 n LEU 27 Cb 0.44 -0.38 -0.02 0.00 -2.33 0.00 0.00 43.42 41.13 1t61 n LEU 27 CO 0.57 0.29 0.77 -0.72 -1.33 0.00 0.00 177.39 176.97 1t61 s TYR 28 N -2.23 -0.22 0.28 -1.77 -0.85 -1.18 -5.02 117.35 106.36 1t61 s TYR 28 Ca -0.18 0.05 0.11 0.00 -0.52 0.00 0.00 57.07 56.53 1t61 s TYR 28 Cb 0.07 0.57 -0.05 0.00 0.38 0.00 0.00 41.96 42.93 1t61 s TYR 28 CO 0.23 -0.57 -0.12 -1.01 -1.52 0.00 0.00 175.55 172.55 1t61 s HIS 29 N -3.02 2.43 0.00 -3.49 3.76 -1.26 -1.40 115.29 112.31 1t61 s HIS 29 Ca 0.09 -0.32 0.00 0.00 -0.15 0.00 0.00 55.06 54.68 1t61 s HIS 29 Cb -0.01 -1.10 0.00 0.00 1.11 0.00 0.00 32.58 32.58 1t61 s HIS 29 CO -0.04 0.67 0.00 0.41 -0.85 0.00 0.00 174.74 174.92 1t61 n GLY 30 N -0.73 1.80 3.73 -2.22 0.00 -0.72 -4.59 105.19 102.46 1t61 n GLY 30 Ca -0.05 -0.66 -0.32 0.00 0.00 0.00 0.00 46.02 44.99 1t61 n GLY 30 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1t61 s TYR 31 N -2.44 3.14 -0.72 1.61 1.51 0.15 -1.31 117.35 119.28 1t61 s TYR 31 Ca 0.00 0.09 -0.27 0.00 -1.01 0.00 0.00 57.07 55.89 1t61 s TYR 31 Cb 0.00 -1.65 0.02 0.00 -0.11 0.00 0.00 41.96 40.22 1t61 s TYR 31 CO 0.00 0.50 1.41 -1.12 -1.11 0.00 0.00 175.55 175.23 1t61 s SER 32 N -1.95 5.98 -0.18 2.29 0.01 -0.21 -1.49 113.70 118.16 1t61 s SER 32 Ca 0.24 -0.33 -0.20 0.00 1.31 0.00 0.00 55.95 56.97 1t61 s SER 32 Cb -0.12 -2.55 -0.03 0.00 0.21 0.00 0.00 66.02 63.53 1t61 s SER 32 CO 0.16 -1.94 0.59 -0.22 0.41 0.00 0.00 173.24 172.23 1t61 s LEU 33 N 6.42 4.18 -0.19 2.44 2.96 0.13 -1.13 118.68 133.48 1t61 s LEU 33 Ca 0.42 0.82 -0.17 0.00 -0.22 0.00 0.00 54.13 54.99 1t61 s LEU 33 Cb -0.09 -2.84 -0.13 0.00 0.50 0.00 0.00 46.19 43.64 1t61 s LEU 33 CO 0.15 -0.20 0.01 -0.11 -1.32 0.00 0.00 176.35 174.88 1t61 n LEU 34 N 4.69 1.86 -3.75 -0.68 7.94 0.37 -4.53 117.00 122.90 1t61 n LEU 34 Ca -0.03 0.47 -0.01 0.00 -1.11 0.00 0.00 56.01 55.33 1t61 n LEU 34 Cb 0.50 -0.91 -0.00 0.00 0.53 0.00 0.00 43.42 43.54 1t61 n LEU 34 CO 0.44 0.05 0.88 -0.72 -1.11 0.00 0.00 177.39 176.93 1t61 s TYR 35 N -2.37 -0.05 0.26 1.96 1.13 -1.05 -2.43 117.35 114.80 1t61 s TYR 35 Ca -0.26 -0.19 0.04 0.00 -1.41 0.00 0.00 57.07 55.25 1t61 s TYR 35 Cb 0.06 0.61 -0.06 0.00 -1.10 0.00 0.00 41.96 41.47 1t61 s TYR 35 CO 0.46 -0.61 0.00 0.14 -2.51 0.00 0.00 175.55 173.03 1t61 s VAL 36 N -2.68 1.14 -0.14 -3.49 -7.23 -0.33 0.04 120.40 107.70 1t61 s VAL 36 Ca 0.16 -2.04 -0.04 0.00 -1.81 0.00 0.00 61.98 58.25 1t61 s VAL 36 Cb 0.01 -2.46 0.05 0.00 0.56 0.00 0.00 36.38 34.54 1t61 s VAL 36 CO 0.01 -0.24 0.08 -1.58 -0.31 0.00 0.00 175.10 173.05 1t61 s GLN 37 N -3.85 0.08 -0.11 4.82 0.74 -0.37 -0.59 119.66 120.38 1t61 s GLN 37 Ca 0.31 -0.01 0.03 0.00 0.05 0.00 0.00 55.36 55.74 1t61 s GLN 37 Cb 0.06 -1.57 0.01 0.00 1.10 0.00 0.00 33.01 32.61 1t61 s GLN 37 CO 0.11 -0.59 -0.20 0.20 -0.55 0.00 0.00 175.29 174.25 1t61 s GLY 38 N 2.12 1.22 -1.49 2.59 0.00 -0.31 -1.44 107.32 110.01 1t61 s GLY 38 Ca 0.02 -0.88 -0.09 0.00 0.00 0.00 0.00 44.72 43.77 1t61 s GLY 38 CO -0.08 -0.11 0.80 -2.01 0.00 0.00 0.00 173.10 171.71 1t61 n ASN 39 N 3.80 -3.04 0.00 1.64 5.15 -1.26 -1.39 115.26 120.16 1t61 n ASN 39 Ca -0.20 -0.86 0.00 0.00 -0.60 0.00 0.00 54.58 52.93 1t61 n ASN 39 Cb 0.52 -3.64 0.00 0.00 -0.53 0.00 0.00 39.78 36.13 1t61 n ASN 39 CO 0.00 0.00 0.00 -0.62 1.40 0.00 0.00 177.26 178.04 1t61 n GLU 40 N -4.50 -0.66 -4.32 1.20 1.02 -1.26 -5.01 120.64 107.11 1t61 n GLU 40 Ca -0.09 0.16 -0.34 0.00 -0.02 0.00 0.00 57.16 56.88 1t61 n GLU 40 Cb 0.58 -3.74 -0.13 0.00 -0.02 0.00 0.00 31.44 28.13 1t61 n GLU 40 CO 0.00 0.00 0.00 0.50 1.18 0.00 0.00 177.13 178.81 1t61 s ARG 41 N -0.76 3.50 0.26 3.49 3.52 -0.48 -5.01 118.95 123.48 1t61 s ARG 41 Ca 0.00 -0.59 -0.21 0.00 -0.13 0.00 0.00 55.73 54.79 1t61 s ARG 41 Cb 0.00 -2.88 -0.09 0.00 -1.56 0.00 0.00 34.95 30.42 1t61 s ARG 41 CO 0.00 0.08 0.80 0.00 -0.81 0.00 0.00 175.30 175.37 1t61 s ALA 42 N 0.75 3.33 -0.16 6.12 0.00 -1.26 -1.17 121.76 129.38 1t61 s ALA 42 Ca -0.03 0.27 -0.04 0.00 0.00 0.00 0.00 51.96 52.16 1t61 s ALA 42 Cb -0.15 -2.94 0.08 0.00 0.00 0.00 0.00 23.12 20.12 1t61 s ALA 42 CO 0.02 0.28 0.27 -1.58 0.00 0.00 0.00 175.76 174.74 1t61 s HIS 43 N -1.60 -0.44 0.42 0.00 2.46 0.25 -4.94 115.29 111.44 1t61 s HIS 43 Ca 0.46 0.78 0.08 0.00 0.47 0.00 0.00 55.06 56.86 1t61 s HIS 43 Cb -0.17 -0.11 0.01 0.00 -0.13 0.00 0.00 32.58 32.19 1t61 s HIS 43 CO 0.21 -0.46 0.56 0.20 -2.47 0.00 0.00 174.74 172.78 1t61 s GLY 44 N 2.41 1.96 -0.21 1.59 0.00 -1.26 -1.19 107.32 110.63 1t61 s GLY 44 Ca 0.04 -1.70 0.01 0.00 0.00 0.00 0.00 44.72 43.07 1t61 s GLY 44 CO -0.10 -1.52 -0.11 1.20 0.00 0.00 0.00 173.10 172.57 1t61 s GLN 45 N -4.34 2.11 0.03 2.90 -1.52 -1.02 -4.98 119.66 112.85 1t61 s GLN 45 Ca 0.54 -0.93 -0.36 0.00 -1.95 0.00 0.00 55.36 52.66 1t61 s GLN 45 Cb -0.09 -2.51 -0.15 0.00 -0.22 0.00 0.00 33.01 30.03 1t61 s GLN 45 CO 0.33 -0.44 1.51 -3.47 -0.25 0.00 0.00 175.29 172.96 1t61 n ASP 46 N 4.64 2.30 0.10 5.90 -0.08 -1.26 -4.59 116.55 123.55 1t61 n ASP 46 Ca -0.15 1.09 0.07 0.00 -1.51 0.00 0.00 54.79 54.29 1t61 n ASP 46 Cb 0.46 -1.26 0.37 0.00 2.34 0.00 0.00 41.12 43.02 1t61 n ASP 46 CO 0.00 0.00 0.00 0.18 0.12 0.00 0.00 177.20 177.50 1t61 n LEU 47 N 3.56 0.35 -0.22 -2.67 4.77 -1.26 -1.05 117.00 120.47 1t61 n LEU 47 Ca 0.20 0.65 0.13 0.00 -0.03 0.00 0.00 56.01 56.96 1t61 n LEU 47 Cb 0.22 -0.68 0.37 0.00 -2.33 0.00 0.00 43.42 40.99 1t61 n LEU 47 CO 0.66 -0.73 0.64 0.61 -1.33 0.00 0.00 177.39 177.24 1t61 n GLY 48 N -1.18 -0.67 3.75 -0.72 0.00 -1.26 -4.41 105.19 100.70 1t61 n GLY 48 Ca -0.00 -0.40 -0.24 0.00 0.00 0.00 0.00 46.02 45.38 1t61 n GLY 48 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1t61 s THR 49 N -2.54 4.09 0.55 2.61 -4.23 -0.22 -3.62 115.64 112.28 1t61 s THR 49 Ca 0.23 -1.48 0.42 0.00 -1.18 0.00 0.00 61.69 59.68 1t61 s THR 49 Cb 0.19 -3.16 0.43 0.00 1.34 0.00 0.00 72.50 71.30 1t61 s THR 49 CO 0.54 -0.28 2.29 0.00 -0.54 0.00 0.00 174.62 176.63 1t61 h ALA 50 N 1.93 1.02 0.00 3.99 0.00 -1.91 -1.91 119.26 122.38 1t61 h ALA 50 Ca -0.47 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.44 1t61 h ALA 50 Cb 1.23 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.02 1t61 h ALA 50 CO 0.61 0.00 0.00 0.78 0.00 0.00 0.00 179.25 180.64 1t61 h GLY 51 N 0.41 0.00 -1.56 0.00 0.00 -1.95 -0.85 103.07 99.12 1t61 h GLY 51 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1t61 h GLY 51 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 176.54 175.40 1t61 n SER 52 N -2.44 2.45 -3.87 0.19 3.41 -0.72 -4.67 113.62 107.97 1t61 n SER 52 Ca 0.00 -1.90 -0.30 0.00 -0.26 0.00 0.00 58.87 56.41 1t61 n SER 52 Cb 0.17 -0.23 -0.15 0.00 -0.26 0.00 0.00 64.21 63.73 1t61 n SER 52 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1t61 s LEU 54 N 1.05 4.33 0.38 0.00 1.02 -0.55 -4.81 118.68 120.10 1t61 s LEU 54 Ca 0.12 0.44 0.07 0.00 0.02 0.00 0.00 54.13 54.78 1t61 s LEU 54 Cb -0.19 -2.15 0.75 0.00 0.02 0.00 0.00 46.19 44.62 1t61 s LEU 54 CO -0.14 0.31 1.94 0.03 0.02 0.00 0.00 176.35 178.51 1t61 h ARG 55 N 5.62 0.40 -6.17 1.70 3.08 -1.88 0.42 114.38 117.55 1t61 h ARG 55 Ca -0.49 -0.07 -0.69 0.00 0.07 0.00 0.00 59.98 58.80 1t61 h ARG 55 Cb 1.20 -0.07 -0.30 0.00 0.08 0.00 0.00 29.97 30.88 1t61 h ARG 55 CO 0.65 0.42 -0.87 0.15 -1.07 0.00 0.00 179.97 179.26 1t61 s LYS 56 N -5.00 2.48 0.17 0.04 1.02 -1.26 -4.68 119.74 112.50 1t61 s LYS 56 Ca -0.07 -0.87 -0.06 0.00 0.02 0.00 0.00 55.97 54.98 1t61 s LYS 56 Cb 0.16 -2.18 -0.06 0.00 -0.52 0.00 0.00 37.83 35.23 1t61 s LYS 56 CO 0.74 0.45 0.43 0.12 -0.92 0.00 0.00 175.35 176.17 1t61 s PHE 57 N -0.32 3.46 -0.14 3.18 5.36 -1.26 -4.89 117.98 123.37 1t61 s PHE 57 Ca 0.01 0.65 -0.29 0.00 -0.96 0.00 0.00 56.93 56.34 1t61 s PHE 57 Cb -0.13 -2.08 0.10 0.00 -0.34 0.00 0.00 43.02 40.57 1t61 s PHE 57 CO 0.02 0.39 0.86 0.45 -1.46 0.00 0.00 175.22 175.48 1t61 s SER 58 N -2.40 -0.52 0.34 6.13 0.15 -1.26 -5.01 113.70 111.13 1t61 s SER 58 Ca 0.43 0.65 0.26 0.00 0.70 0.00 0.00 55.95 57.99 1t61 s SER 58 Cb -0.12 0.54 0.81 0.00 -1.71 0.00 0.00 66.02 65.55 1t61 s SER 58 CO 0.23 -0.41 1.75 0.71 1.20 0.00 0.00 173.24 176.72 1t61 h THR 59 N 2.95 0.00 -2.00 6.45 1.35 -1.96 -3.35 112.91 116.34 1t61 h THR 59 Ca -0.23 -0.57 -0.51 0.00 -0.55 0.00 0.00 66.41 64.54 1t61 h THR 59 Cb 1.16 1.52 -0.35 0.00 -1.73 0.00 0.00 68.15 68.75 1t61 h THR 59 CO 0.30 0.00 -0.93 0.80 -0.25 0.00 0.00 175.52 175.44 1t61 n MET 60 N -2.62 0.38 0.00 4.72 0.00 -1.26 -4.03 117.12 114.31 1t61 n MET 60 Ca 0.04 -2.98 0.00 0.00 -0.00 0.00 0.00 57.70 54.75 1t61 n MET 60 Cb 0.40 -1.53 0.00 0.00 0.00 0.00 0.00 33.22 32.09 1t61 n MET 60 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 175.97 175.62 1t61 n PRO 61 N 2.45 0.73 -4.09 2.12 -0.04 -1.26 -4.83 135.00 130.08 1t61 n PRO 61 Ca 0.25 0.00 -0.10 0.00 -0.04 0.00 0.00 63.50 63.61 1t61 n PRO 61 Cb 0.51 -1.02 -0.08 0.00 -0.04 0.00 0.00 33.50 32.87 1t61 n PRO 61 CO 0.00 0.00 0.00 -0.59 -0.04 0.00 0.00 175.50 174.87 1t61 s PHE 62 N -1.94 0.74 0.24 0.54 -0.71 -1.26 -5.10 117.98 110.50 1t61 s PHE 62 Ca 0.00 -1.05 0.01 0.00 -1.04 0.00 0.00 56.93 54.85 1t61 s PHE 62 Cb 0.00 -0.23 -0.04 0.00 -1.21 0.00 0.00 43.02 41.54 1t61 s PHE 62 CO 0.00 -0.75 0.14 -0.48 -1.34 0.00 0.00 175.22 172.78 1t61 s LEU 63 N -3.07 1.38 0.10 -1.99 0.05 -1.26 -4.58 118.68 109.30 1t61 s LEU 63 Ca 0.28 -1.44 0.06 0.00 0.05 0.00 0.00 54.13 53.08 1t61 s LEU 63 Cb 0.04 0.29 -0.03 0.00 -2.05 0.00 0.00 46.19 44.43 1t61 s LEU 63 CO 0.08 -0.84 -0.15 0.72 -0.55 0.00 0.00 176.35 175.61 1t61 s PHE 64 N -3.93 1.34 0.05 3.48 -0.12 -1.00 -4.99 117.98 112.80 1t61 s PHE 64 Ca 0.38 -0.50 0.07 0.00 -0.05 0.00 0.00 56.93 56.83 1t61 s PHE 64 Cb 0.07 -0.73 -0.02 0.00 -0.63 0.00 0.00 43.02 41.70 1t61 s PHE 64 CO 0.14 0.10 -0.19 0.00 -0.05 0.00 0.00 175.22 175.23 1t61 n ASN 66 N 1.81 2.60 0.12 0.00 0.23 -0.17 -4.96 115.26 114.90 1t61 n ASN 66 Ca -0.18 -2.76 0.12 0.00 -0.53 0.00 0.00 54.58 51.23 1t61 n ASN 66 Cb 0.54 -0.07 0.48 0.00 -2.08 0.00 0.00 39.78 38.65 1t61 n ASN 66 CO 0.00 0.00 0.00 2.30 -0.93 0.00 0.00 177.26 178.63 1t61 n ILE 67 N -1.77 0.83 0.53 1.53 -5.35 -1.26 -1.63 119.36 112.25 1t61 n ILE 67 Ca -0.00 0.23 0.06 0.00 -0.27 0.00 0.00 62.75 62.76 1t61 n ILE 67 Cb 0.59 -1.15 0.19 0.00 -1.74 0.00 0.00 39.64 37.52 1t61 n ILE 67 CO 0.00 0.00 0.00 0.59 -1.76 0.00 0.00 176.55 175.38 1t61 n ASN 68 N -2.21 2.51 -3.50 7.28 3.02 -1.26 -4.91 115.26 116.20 1t61 n ASN 68 Ca 0.02 -2.14 -0.22 0.00 -0.03 0.00 0.00 54.58 52.21 1t61 n ASN 68 Cb 0.23 -0.36 0.08 0.00 -0.61 0.00 0.00 39.78 39.12 1t61 n ASN 68 CO 0.00 0.00 0.00 -3.20 -2.62 0.00 0.00 177.26 171.44 1t61 n ASN 69 N 0.56 -5.70 -4.14 6.41 2.85 -0.65 -5.01 115.26 109.58 1t61 n ASN 69 Ca 0.14 -0.54 -0.27 0.00 -0.11 0.00 0.00 54.58 53.80 1t61 n ASN 69 Cb 0.45 -4.93 -0.16 0.00 1.24 0.00 0.00 39.78 36.38 1t61 n ASN 69 CO 0.00 0.00 0.00 -0.69 -2.11 0.00 0.00 177.26 174.46 1t61 s VAL 70 N -3.32 1.53 0.04 3.44 1.01 -1.26 -4.94 120.40 116.90 1t61 s VAL 70 Ca 0.49 -0.75 0.06 0.00 0.00 0.00 0.00 61.98 61.78 1t61 s VAL 70 Cb -0.22 -1.33 -0.03 0.00 0.00 0.00 0.00 36.38 34.80 1t61 s VAL 70 CO 0.71 0.44 -0.12 0.00 0.00 0.00 0.00 175.10 176.13 1t61 s ASN 72 N -1.58 2.82 -0.13 0.00 0.01 0.50 -4.97 114.94 111.60 1t61 s ASN 72 Ca 0.17 -0.49 0.02 0.00 -0.71 0.00 0.00 52.86 51.85 1t61 s ASN 72 Cb -0.11 -1.11 -0.00 0.00 0.41 0.00 0.00 41.25 40.44 1t61 s ASN 72 CO 0.08 0.16 -0.20 0.12 -1.51 0.00 0.00 177.10 175.76 1t61 s PHE 73 N 0.22 2.68 -1.03 2.20 5.36 -1.26 -2.38 117.98 123.77 1t61 s PHE 73 Ca -0.13 -1.03 -0.07 0.00 -0.96 0.00 0.00 56.93 54.74 1t61 s PHE 73 Cb -0.16 -1.80 0.06 0.00 -0.34 0.00 0.00 43.02 40.78 1t61 s PHE 73 CO 0.06 -0.43 0.30 0.00 -1.46 0.00 0.00 175.22 173.69 1t61 n ALA 74 N 3.76 -1.00 0.50 11.12 0.00 -1.26 -4.82 120.51 128.81 1t61 n ALA 74 Ca -0.19 0.04 0.07 0.00 0.00 0.00 0.00 53.44 53.37 1t61 n ALA 74 Cb 0.52 -2.03 -0.09 0.00 0.00 0.00 0.00 19.45 17.85 1t61 n ALA 74 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 1t61 n SER 75 N -2.04 0.93 0.00 0.00 7.64 -1.26 -4.80 113.62 114.08 1t61 n SER 75 Ca -0.03 -0.61 0.00 0.00 1.01 0.00 0.00 58.87 59.24 1t61 n SER 75 Cb 0.54 1.20 0.00 0.00 -1.01 0.00 0.00 64.21 64.94 1t61 n SER 75 CO 0.00 0.00 0.00 -1.14 -3.01 0.00 0.00 175.04 170.89 1t61 n ARG 76 N -1.55 0.00 -3.16 1.43 0.63 -1.26 -5.08 116.66 107.67 1t61 n ARG 76 Ca 0.01 0.00 -0.17 0.00 -0.92 0.00 0.00 57.85 56.77 1t61 n ARG 76 Cb 0.28 0.00 -0.02 0.00 0.45 0.00 0.00 32.46 33.17 1t61 n ARG 76 CO 0.00 0.00 0.00 0.09 -2.51 0.00 0.00 177.63 175.21 1t61 n ASN 77 N 0.00 0.72 -5.00 6.15 3.02 -1.26 -4.93 115.26 113.96 1t61 n ASN 77 Ca 0.00 -3.03 -0.18 0.00 -0.03 0.00 0.00 54.58 51.34 1t61 n ASN 77 Cb 0.00 -0.52 0.01 0.00 -0.61 0.00 0.00 39.78 38.66 1t61 n ASN 77 CO 0.00 0.00 0.00 -1.81 -2.62 0.00 0.00 177.26 172.83 1t61 s ASP 78 N -2.40 5.72 0.18 6.41 -0.00 -1.26 -4.89 116.67 120.44 1t61 s ASP 78 Ca 0.39 -0.30 0.04 0.00 -0.00 0.00 0.00 52.55 52.68 1t61 s ASP 78 Cb 0.35 -0.87 -0.05 0.00 -0.00 0.00 0.00 42.92 42.35 1t61 s ASP 78 CO -0.08 -0.70 -0.05 -0.31 -0.00 0.00 0.00 175.17 174.04 1t61 s TYR 79 N -2.34 1.39 0.01 4.23 1.51 -0.52 -2.92 117.35 118.70 1t61 s TYR 79 Ca 0.52 -0.85 -0.01 0.00 -1.01 0.00 0.00 57.07 55.73 1t61 s TYR 79 Cb -0.10 -0.76 -0.01 0.00 -0.11 0.00 0.00 41.96 40.99 1t61 s TYR 79 CO 0.33 0.01 0.01 -1.54 -1.11 0.00 0.00 175.55 173.25 1t61 s SER 80 N -3.23 0.10 -0.04 2.29 1.04 -0.51 -1.24 113.70 112.12 1t61 s SER 80 Ca 0.22 -0.23 0.03 0.00 0.48 0.00 0.00 55.95 56.46 1t61 s SER 80 Cb 0.04 0.08 0.00 0.00 0.10 0.00 0.00 66.02 66.24 1t61 s SER 80 CO 0.04 -0.17 -0.13 -0.31 0.98 0.00 0.00 173.24 173.65 1t61 s TYR 81 N -0.77 1.34 0.06 5.02 2.02 0.11 -0.68 117.35 124.44 1t61 s TYR 81 Ca -0.09 -0.37 0.05 0.00 -0.37 0.00 0.00 57.07 56.29 1t61 s TYR 81 Cb -0.05 -0.93 -0.03 0.00 -0.40 0.00 0.00 41.96 40.56 1t61 s TYR 81 CO -0.00 -0.14 -0.15 -1.58 -1.57 0.00 0.00 175.55 172.11 1t61 s TRP 82 N 0.16 1.27 0.44 2.71 0.52 -0.94 -0.48 118.94 122.63 1t61 s TRP 82 Ca -0.04 -0.41 -0.25 0.00 0.02 0.00 0.00 56.10 55.42 1t61 s TRP 82 Cb -0.10 -0.73 -0.08 0.00 -1.15 0.00 0.00 33.47 31.40 1t61 s TRP 82 CO 0.01 0.06 1.34 -0.51 0.02 0.00 0.00 176.95 177.87 1t61 s LEU 83 N -1.48 4.12 0.48 2.99 1.43 -0.28 -0.90 118.68 125.04 1t61 s LEU 83 Ca 0.00 2.73 0.06 0.00 -1.03 0.00 0.00 54.13 55.89 1t61 s LEU 83 Cb -0.09 -3.99 0.00 0.00 0.03 0.00 0.00 46.19 42.15 1t61 s LEU 83 CO 0.02 -1.05 0.36 -0.94 0.23 0.00 0.00 176.35 174.96 1t61 s SER 84 N -0.74 4.72 0.56 2.29 1.04 0.37 -1.16 113.70 120.78 1t61 s SER 84 Ca 0.61 -1.07 0.07 0.00 0.48 0.00 0.00 55.95 56.04 1t61 s SER 84 Cb -0.39 -0.04 0.06 0.00 0.10 0.00 0.00 66.02 65.75 1t61 s SER 84 CO 0.50 -0.87 0.58 0.42 0.98 0.00 0.00 173.24 174.85 1t61 s THR 85 N -2.65 1.83 -1.99 2.02 -4.23 -0.71 -4.51 115.64 105.39 1t61 s THR 85 Ca 0.40 -1.28 0.22 0.00 -1.18 0.00 0.00 61.69 59.85 1t61 s THR 85 Cb -0.01 -2.11 0.62 0.00 1.34 0.00 0.00 72.50 72.34 1t61 s THR 85 CO 0.24 0.00 1.69 -2.65 -0.54 0.00 0.00 174.62 173.35 1t61 n PRO 86 N -1.99 0.68 -1.70 3.99 -0.02 -1.26 -4.86 135.00 129.85 1t61 n PRO 86 Ca 0.06 0.00 -0.57 0.00 -2.02 0.00 0.00 63.50 60.97 1t61 n PRO 86 Cb 0.63 -1.50 -0.07 0.00 -0.02 0.00 0.00 33.50 32.54 1t61 n PRO 86 CO 0.00 0.00 0.00 -1.91 1.98 0.00 0.00 175.50 175.57 1t61 n GLU 87 N -1.00 1.19 -1.64 -0.52 4.07 -1.26 -4.85 120.64 116.62 1t61 n GLU 87 Ca 0.16 0.44 -0.42 0.00 -0.06 0.00 0.00 57.16 57.28 1t61 n GLU 87 Cb 0.08 -2.12 0.00 0.00 -0.06 0.00 0.00 31.44 29.34 1t61 n GLU 87 CO 0.00 0.00 0.00 -2.30 -0.06 0.00 0.00 177.13 174.77 1t61 n PRO 88 N 5.09 1.64 -2.25 5.31 -0.02 -1.26 -4.93 135.00 138.57 1t61 n PRO 88 Ca 0.25 0.58 -0.40 0.00 -2.02 0.00 0.00 63.50 61.91 1t61 n PRO 88 Cb 0.14 -2.14 -0.03 0.00 -0.02 0.00 0.00 33.50 31.46 1t61 n PRO 88 CO 0.00 0.00 0.00 -1.64 1.98 0.00 0.00 175.50 175.84 1t61 s MET 89 N -1.95 4.40 0.28 -0.52 -1.94 -1.26 -4.93 119.30 113.39 1t61 s MET 89 Ca 0.60 2.04 -0.30 0.00 -1.71 0.00 0.00 55.69 56.33 1t61 s MET 89 Cb -0.57 -3.05 -0.13 0.00 2.01 0.00 0.00 34.83 33.09 1t61 s MET 89 CO 0.59 -0.09 1.38 -2.30 -0.01 0.00 0.00 175.02 174.59 1t61 n PRO 90 N 0.81 2.14 -0.10 2.03 -0.02 -1.26 -4.86 135.00 133.74 1t61 n PRO 90 Ca 0.00 0.76 0.04 0.00 -2.02 0.00 0.00 63.50 62.28 1t61 n PRO 90 Cb 0.43 -2.40 0.37 0.00 -0.02 0.00 0.00 33.50 31.88 1t61 n PRO 90 CO 0.00 0.00 0.00 0.52 1.98 0.00 0.00 175.50 178.00 1t61 h MET 91 N 3.63 0.69 0.00 -0.52 2.86 -1.96 0.78 114.93 120.40 1t61 h MET 91 Ca -0.46 -0.04 -0.02 0.00 -2.06 0.00 0.00 59.70 57.12 1t61 h MET 91 Cb 1.27 -0.16 -0.00 0.00 0.06 0.00 0.00 31.60 32.77 1t61 h MET 91 CO 0.71 0.46 -0.11 0.66 1.06 0.00 0.00 176.91 179.68 1t61 h SER 92 N 0.71 0.00 -0.26 1.22 4.64 -2.03 -3.45 113.55 114.38 1t61 h SER 92 Ca 0.23 0.00 -0.11 0.00 -0.47 0.00 0.00 61.79 61.44 1t61 h SER 92 Cb 0.04 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 62.09 1t61 h SER 92 CO -0.06 0.11 -0.10 0.23 -0.87 0.00 0.00 176.83 176.14 1t61 n MET 93 N -3.46 -1.18 -2.74 4.77 0.00 0.27 -4.99 117.12 109.79 1t61 n MET 93 Ca -0.01 0.59 -0.29 0.00 0.00 0.00 0.00 57.70 57.99 1t61 n MET 93 Cb 0.27 -4.62 -0.02 0.00 0.00 0.00 0.00 33.22 28.85 1t61 n MET 93 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 1t61 s ALA 94 N -1.81 3.38 0.42 3.04 0.00 -1.26 -4.95 121.76 120.58 1t61 s ALA 94 Ca 0.00 -0.36 -0.25 0.00 0.00 0.00 0.00 51.96 51.35 1t61 s ALA 94 Cb 0.00 -2.64 -0.10 0.00 0.00 0.00 0.00 23.12 20.38 1t61 s ALA 94 CO 0.00 -0.18 1.13 -2.30 0.00 0.00 0.00 175.76 174.40 1t61 n PRO 95 N -1.79 1.59 -3.67 0.00 -0.02 -1.26 -4.86 135.00 124.98 1t61 n PRO 95 Ca 0.01 0.57 -0.37 0.00 -2.02 0.00 0.00 63.50 61.69 1t61 n PRO 95 Cb 0.54 -2.20 -0.06 0.00 -0.02 0.00 0.00 33.50 31.77 1t61 n PRO 95 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 1t61 s ILE 96 N -1.24 5.26 0.18 4.25 1.01 0.12 -4.87 121.20 125.92 1t61 s ILE 96 Ca 0.63 0.54 0.04 0.00 0.00 0.00 0.00 60.65 61.85 1t61 s ILE 96 Cb -0.53 -3.57 -0.05 0.00 0.01 0.00 0.00 42.46 38.32 1t61 s ILE 96 CO 0.57 0.58 -0.04 0.42 0.00 0.00 0.00 174.94 176.46 1t61 s THR 97 N -0.91 1.03 0.00 2.92 -4.23 -1.26 -0.72 115.64 112.47 1t61 s THR 97 Ca 0.19 -2.04 0.00 0.00 -1.18 0.00 0.00 61.69 58.67 1t61 s THR 97 Cb -0.14 -2.09 0.00 0.00 1.34 0.00 0.00 72.50 71.61 1t61 s THR 97 CO 0.08 -0.53 0.00 0.61 -0.54 0.00 0.00 174.62 174.24 1t61 n GLY 98 N -0.29 2.00 0.33 3.99 0.00 -1.25 -1.79 105.19 108.18 1t61 n GLY 98 Ca -0.08 -0.27 0.17 0.00 0.00 0.00 0.00 46.02 45.85 1t61 n GLY 98 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 1t61 h GLU 99 N 0.00 0.00 0.00 1.61 4.57 -1.99 -1.35 114.58 117.43 1t61 h GLU 99 Ca 0.00 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.18 1t61 h GLU 99 Cb 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.59 1t61 h GLU 99 CO 0.00 0.00 0.00 0.09 -1.18 0.00 0.00 179.01 177.92 1t61 n ASN 100 N -3.67 0.46 0.08 1.04 3.02 -0.74 -2.21 115.26 113.24 1t61 n ASN 100 Ca -0.00 0.67 -0.12 0.00 -0.03 0.00 0.00 54.58 55.10 1t61 n ASN 100 Cb 0.23 -0.74 -0.04 0.00 -0.61 0.00 0.00 39.78 38.61 1t61 n ASN 100 CO 0.00 0.00 0.00 0.40 -2.62 0.00 0.00 177.26 175.04 1t61 h ILE 101 N 0.00 1.46 -0.87 2.41 2.04 -1.31 -3.37 117.51 117.87 1t61 h ILE 101 Ca 0.00 -2.62 0.19 0.00 1.00 0.00 0.00 64.86 63.43 1t61 h ILE 101 Cb 0.15 2.52 -0.16 0.00 -0.74 0.00 0.00 36.82 38.58 1t61 h ILE 101 CO 0.00 0.77 -0.15 -0.09 0.00 0.00 0.00 178.15 178.68 1t61 h ARG 102 N 0.16 0.02 0.00 2.37 2.43 -1.63 -0.18 114.38 117.54 1t61 h ARG 102 Ca -0.07 -0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.10 1t61 h ARG 102 Cb 1.61 -0.00 0.00 0.00 -0.42 0.00 0.00 29.97 31.15 1t61 h ARG 102 CO 0.16 0.01 0.17 -1.35 -1.51 0.00 0.00 179.97 177.45 1t61 h PRO 103 N 0.02 0.00 0.00 0.20 0.11 -1.80 -2.41 132.00 128.12 1t61 h PRO 103 Ca 0.44 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.55 1t61 h PRO 103 Cb 0.74 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.85 1t61 h PRO 103 CO -0.86 0.00 -0.82 1.19 -0.21 0.00 0.00 178.00 177.29 1t61 n PHE 104 N -2.91 0.11 -3.29 0.65 3.01 -0.08 -4.57 117.46 110.38 1t61 n PHE 104 Ca -0.02 0.03 -0.39 0.00 1.01 0.00 0.00 57.45 58.08 1t61 n PHE 104 Cb 0.22 -0.27 -0.06 0.00 -0.01 0.00 0.00 39.48 39.36 1t61 n PHE 104 CO 0.00 0.00 0.00 0.42 1.01 0.00 0.00 176.76 178.19 1t61 s ILE 105 N -3.08 5.15 0.56 4.37 -1.09 -0.91 -1.74 121.20 124.46 1t61 s ILE 105 Ca 0.07 0.93 -0.19 0.00 -2.23 0.00 0.00 60.65 59.23 1t61 s ILE 105 Cb 0.16 -3.82 -0.05 0.00 -1.58 0.00 0.00 42.46 37.17 1t61 s ILE 105 CO 0.78 0.25 1.13 -0.55 -1.23 0.00 0.00 174.94 175.32 1t61 s SER 106 N 0.92 5.64 0.26 3.58 0.15 -0.31 -4.44 113.70 119.50 1t61 s SER 106 Ca 0.24 2.17 0.08 0.00 0.70 0.00 0.00 55.95 59.14 1t61 s SER 106 Cb -0.15 -2.58 -0.04 0.00 -1.71 0.00 0.00 66.02 61.54 1t61 s SER 106 CO 0.10 -1.28 0.16 -0.13 1.20 0.00 0.00 173.24 173.29 1t61 s ARG 107 N -3.36 2.79 0.13 5.44 1.81 -0.82 -1.04 118.95 123.89 1t61 s ARG 107 Ca 0.72 -1.14 -0.05 0.00 -1.72 0.00 0.00 55.73 53.54 1t61 s ARG 107 Cb -0.24 -2.48 -0.02 0.00 -0.45 0.00 0.00 34.95 31.76 1t61 s ARG 107 CO 0.29 0.37 0.15 0.00 -0.68 0.00 0.00 175.30 175.43 1t61 s ALA 109 N -3.99 0.67 -0.24 0.00 0.00 0.26 -1.76 121.76 116.71 1t61 s ALA 109 Ca 0.18 -0.21 -0.06 0.00 0.00 0.00 0.00 51.96 51.88 1t61 s ALA 109 Cb 0.06 -0.29 -0.02 0.00 0.00 0.00 0.00 23.12 22.87 1t61 s ALA 109 CO -0.01 0.09 0.03 0.08 0.00 0.00 0.00 175.76 175.94 1t61 s VAL 110 N 0.33 3.90 0.16 0.00 1.01 -0.49 -0.62 120.40 124.69 1t61 s VAL 110 Ca -0.04 -0.35 0.11 0.00 0.00 0.00 0.00 61.98 61.70 1t61 s VAL 110 Cb -0.09 -2.82 -0.04 0.00 0.00 0.00 0.00 36.38 33.43 1t61 s VAL 110 CO 0.00 0.35 -0.25 0.00 0.00 0.00 0.00 175.10 175.20 1t61 s GLU 112 N -2.32 4.25 0.11 0.00 2.12 0.20 -0.01 118.70 123.05 1t61 s GLU 112 Ca 0.17 0.10 0.08 0.00 0.36 0.00 0.00 54.97 55.67 1t61 s GLU 112 Cb -0.09 -3.44 -0.04 0.00 0.26 0.00 0.00 34.13 30.82 1t61 s GLU 112 CO 0.08 0.20 -0.14 0.00 -0.54 0.00 0.00 175.26 174.86 1t61 s ALA 113 N 0.57 2.81 -0.74 6.30 0.00 0.37 -0.91 121.76 130.17 1t61 s ALA 113 Ca 0.17 -1.31 0.23 0.00 0.00 0.00 0.00 51.96 51.05 1t61 s ALA 113 Cb -0.13 -0.76 0.90 0.00 0.00 0.00 0.00 23.12 23.13 1t61 s ALA 113 CO 0.04 0.61 1.71 -0.35 0.00 0.00 0.00 175.76 177.77 1t61 n PRO 114 N 0.73 0.14 -3.86 0.00 -0.04 -1.26 -4.21 135.00 126.50 1t61 n PRO 114 Ca -0.14 0.27 -0.10 0.00 -0.04 0.00 0.00 63.50 63.49 1t61 n PRO 114 Cb 0.53 -1.71 -0.06 0.00 -0.04 0.00 0.00 33.50 32.21 1t61 n PRO 114 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1t61 s ALA 115 N -3.14 -0.39 0.70 0.55 0.00 -1.26 -5.02 121.76 113.19 1t61 s ALA 115 Ca 0.08 -0.59 -0.16 0.00 0.00 0.00 0.00 51.96 51.29 1t61 s ALA 115 Cb 0.12 0.82 0.02 0.00 0.00 0.00 0.00 23.12 24.07 1t61 s ALA 115 CO 0.43 -0.69 1.20 -1.64 0.00 0.00 0.00 175.76 175.07 1t61 s MET 116 N -3.92 2.37 -0.03 0.00 -1.94 -1.26 -4.72 119.30 109.80 1t61 s MET 116 Ca 0.13 1.74 0.06 0.00 -1.71 0.00 0.00 55.69 55.91 1t61 s MET 116 Cb 0.02 -1.86 -0.01 0.00 2.01 0.00 0.00 34.83 34.98 1t61 s MET 116 CO -0.03 -1.66 -0.21 0.08 -0.01 0.00 0.00 175.02 173.20 1t61 s VAL 117 N -1.93 1.66 0.27 -6.03 1.01 -1.26 -2.41 120.40 111.70 1t61 s VAL 117 Ca 0.74 -0.88 0.03 0.00 0.00 0.00 0.00 61.98 61.87 1t61 s VAL 117 Cb -0.29 -1.39 -0.04 0.00 0.00 0.00 0.00 36.38 34.66 1t61 s VAL 117 CO 0.43 0.47 0.17 0.00 0.00 0.00 0.00 175.10 176.17 1t61 s MET 118 N -0.30 1.49 0.09 2.72 0.23 -0.12 -4.72 119.30 118.69 1t61 s MET 118 Ca 0.03 -1.83 0.10 0.00 -1.03 0.00 0.00 55.69 52.96 1t61 s MET 118 Cb -0.10 0.12 -0.03 0.00 -1.53 0.00 0.00 34.83 33.29 1t61 s MET 118 CO 0.01 -0.47 -0.26 0.00 -2.03 0.00 0.00 175.02 172.27 1t61 s ALA 119 N -3.77 2.21 0.02 3.16 0.00 -0.16 -0.37 121.76 122.86 1t61 s ALA 119 Ca 0.38 -1.33 0.06 0.00 0.00 0.00 0.00 51.96 51.07 1t61 s ALA 119 Cb 0.05 -0.40 -0.02 0.00 0.00 0.00 0.00 23.12 22.75 1t61 s ALA 119 CO 0.18 0.50 -0.19 0.14 0.00 0.00 0.00 175.76 176.40 1t61 s VAL 120 N -0.95 1.49 -0.02 0.00 -7.23 -0.64 -4.58 120.40 108.46 1t61 s VAL 120 Ca 0.12 -1.03 0.07 0.00 -1.81 0.00 0.00 61.98 59.33 1t61 s VAL 120 Cb -0.10 -1.28 -0.02 0.00 0.56 0.00 0.00 36.38 35.54 1t61 s VAL 120 CO 0.04 0.23 -0.23 -1.00 -0.31 0.00 0.00 175.10 173.83 1t61 s HIS 121 N -0.69 2.09 -0.07 2.82 3.76 -1.26 -1.82 115.29 120.12 1t61 s HIS 121 Ca 0.06 -0.44 0.14 0.00 -0.15 0.00 0.00 55.06 54.67 1t61 s HIS 121 Cb -0.08 -1.35 -0.21 0.00 1.11 0.00 0.00 32.58 32.04 1t61 s HIS 121 CO 0.01 -0.07 0.66 -1.13 -0.85 0.00 0.00 174.74 173.37 1t61 n SER 122 N 2.61 0.82 -2.18 1.40 3.41 -0.52 -4.95 113.62 114.21 1t61 n SER 122 Ca -0.16 0.39 -0.17 0.00 -0.26 0.00 0.00 58.87 58.66 1t61 n SER 122 Cb 0.52 0.04 0.01 0.00 -0.26 0.00 0.00 64.21 64.52 1t61 n SER 122 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1t61 n GLN 123 N -3.00 -2.52 -3.94 4.33 6.02 -1.26 -4.94 117.38 112.08 1t61 n GLN 123 Ca -0.16 0.79 -0.11 0.00 -0.01 0.00 0.00 57.00 57.51 1t61 n GLN 123 Cb 1.01 -5.26 -0.01 0.00 1.02 0.00 0.00 30.24 27.00 1t61 n GLN 123 CO 0.00 0.00 0.00 0.95 -1.01 0.00 0.00 177.06 177.00 1t61 s THR 124 N -2.94 0.00 -1.11 5.09 -4.23 -1.26 -0.48 115.64 110.71 1t61 s THR 124 Ca 0.11 -1.28 0.27 0.00 -1.18 0.00 0.00 61.69 59.61 1t61 s THR 124 Cb -0.05 -2.64 0.29 0.00 1.34 0.00 0.00 72.50 71.44 1t61 s THR 124 CO 0.13 0.00 1.89 2.30 -0.54 0.00 0.00 174.62 178.41 1t61 n ILE 125 N -0.52 0.12 -2.78 2.99 -6.64 -1.26 -2.23 119.36 109.04 1t61 n ILE 125 Ca -0.04 0.03 -0.39 0.00 -1.77 0.00 0.00 62.75 60.59 1t61 n ILE 125 Cb 0.61 -0.56 -0.06 0.00 -1.44 0.00 0.00 39.64 38.18 1t61 n ILE 125 CO 0.00 0.00 0.00 -1.10 -1.77 0.00 0.00 176.55 173.68 1t61 s GLN 126 N -2.89 4.74 -0.10 6.28 -1.52 -1.26 -4.84 119.66 120.07 1t61 s GLN 126 Ca 0.17 1.41 -0.30 0.00 -1.95 0.00 0.00 55.36 54.69 1t61 s GLN 126 Cb 0.18 -3.10 -0.02 0.00 -0.22 0.00 0.00 33.01 29.86 1t61 s GLN 126 CO 0.48 0.43 1.06 0.42 -0.25 0.00 0.00 175.29 177.43 1t61 s ILE 127 N -1.34 4.64 0.05 1.08 1.01 -1.26 -4.48 121.20 120.91 1t61 s ILE 127 Ca 0.44 1.93 -0.31 0.00 0.00 0.00 0.00 60.65 62.71 1t61 s ILE 127 Cb -0.23 -4.24 -0.06 0.00 0.01 0.00 0.00 42.46 37.94 1t61 s ILE 127 CO 0.29 -0.01 1.37 -2.16 0.00 0.00 0.00 174.94 174.43 1t61 s PRO 128 N 2.17 4.32 0.60 2.79 0.04 -1.26 -5.00 135.00 138.65 1t61 s PRO 128 Ca 0.50 1.99 -0.17 0.00 0.04 0.00 0.00 61.00 63.36 1t61 s PRO 128 Cb -0.20 -3.42 -0.03 0.00 0.04 0.00 0.00 34.50 30.89 1t61 s PRO 128 CO 0.18 -0.48 1.09 -0.65 0.04 0.00 0.00 177.00 177.18 1t61 s GLN 129 N 1.74 3.16 0.46 4.56 -0.21 -1.26 -4.49 119.66 123.62 1t61 s GLN 129 Ca 0.64 1.37 -0.21 0.00 0.02 0.00 0.00 55.36 57.17 1t61 s GLN 129 Cb -0.33 -2.00 -0.09 0.00 1.00 0.00 0.00 33.01 31.59 1t61 s GLN 129 CO 0.28 -0.96 1.04 0.00 -2.12 0.00 0.00 175.29 173.53 1t61 s PRO 131 N -3.03 2.43 0.17 0.00 0.02 -1.26 -4.84 135.00 128.48 1t61 s PRO 131 Ca 0.65 1.90 -0.34 0.00 0.02 0.00 0.00 61.00 63.23 1t61 s PRO 131 Cb -0.18 -1.85 -0.14 0.00 0.02 0.00 0.00 34.50 32.36 1t61 s PRO 131 CO 0.22 -1.65 1.59 2.41 -0.33 0.00 0.00 177.00 179.24 1t61 n THR 132 N -2.22 0.03 -0.00 0.99 -1.04 -1.26 -1.25 114.28 109.52 1t61 n THR 132 Ca 0.14 -0.01 0.00 0.00 -2.04 0.00 0.00 64.05 62.15 1t61 n THR 132 Cb 0.49 -1.59 0.00 0.00 -1.82 0.00 0.00 70.33 67.41 1t61 n THR 132 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1t61 n GLY 133 N 3.45 0.23 3.35 3.41 0.00 -1.26 -5.07 105.19 109.30 1t61 n GLY 133 Ca 0.17 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.88 1t61 n GLY 133 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1t61 s TRP 134 N -2.00 2.39 0.16 1.61 0.52 -0.38 -2.04 118.94 119.20 1t61 s TRP 134 Ca 0.00 -0.39 0.06 0.00 0.02 0.00 0.00 56.10 55.79 1t61 s TRP 134 Cb 0.00 -1.49 -0.04 0.00 -1.15 0.00 0.00 33.47 30.79 1t61 s TRP 134 CO 0.00 0.04 0.09 -1.54 0.02 0.00 0.00 176.95 175.56 1t61 s SER 135 N -0.80 5.28 0.32 2.95 1.04 -0.36 -4.64 113.70 117.49 1t61 s SER 135 Ca 0.11 -0.21 -0.27 0.00 0.48 0.00 0.00 55.95 56.06 1t61 s SER 135 Cb -0.10 -1.31 -0.09 0.00 0.10 0.00 0.00 66.02 64.62 1t61 s SER 135 CO 0.00 0.08 1.00 -0.55 0.98 0.00 0.00 173.24 174.75 1t61 s SER 136 N -3.03 7.23 -0.10 7.02 0.15 -1.26 -0.72 113.70 122.98 1t61 s SER 136 Ca 0.30 1.99 0.01 0.00 0.70 0.00 0.00 55.95 58.95 1t61 s SER 136 Cb -0.10 -2.60 -0.07 0.00 -1.71 0.00 0.00 66.02 61.55 1t61 s SER 136 CO 0.22 -0.15 -0.09 0.18 1.20 0.00 0.00 173.24 174.59 1t61 n LEU 137 N 0.67 2.95 -3.62 3.45 4.77 0.86 -4.88 117.00 121.20 1t61 n LEU 137 Ca 0.01 -0.05 -0.02 0.00 -0.03 0.00 0.00 56.01 55.93 1t61 n LEU 137 Cb 0.48 -0.36 -0.01 0.00 -2.33 0.00 0.00 43.42 41.20 1t61 n LEU 137 CO 0.47 0.67 0.97 -1.66 -1.33 0.00 0.00 177.39 176.51 1t61 s TRP 138 N -2.21 -0.10 0.24 -1.77 -2.14 -1.19 -4.91 118.94 106.86 1t61 s TRP 138 Ca -0.14 -0.01 0.11 0.00 2.66 0.00 0.00 56.10 58.72 1t61 s TRP 138 Cb 0.04 0.55 -0.05 0.00 -3.10 0.00 0.00 33.47 30.91 1t61 s TRP 138 CO 0.24 -0.35 -0.19 0.96 -2.66 0.00 0.00 176.95 174.95 1t61 s ILE 139 N -2.59 2.23 0.00 0.66 -4.36 -1.26 -0.02 121.20 115.85 1t61 s ILE 139 Ca 0.12 -2.29 0.00 0.00 -0.26 0.00 0.00 60.65 58.22 1t61 s ILE 139 Cb 0.02 -2.19 0.00 0.00 1.25 0.00 0.00 42.46 41.54 1t61 s ILE 139 CO -0.04 -0.42 0.00 0.61 0.24 0.00 0.00 174.94 175.33 1t61 n GLY 140 N -0.42 2.24 3.37 6.27 0.00 -0.64 -4.39 105.19 111.63 1t61 n GLY 140 Ca -0.07 -0.42 -0.30 0.00 0.00 0.00 0.00 46.02 45.23 1t61 n GLY 140 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1t61 s TYR 141 N -1.25 2.39 -0.57 1.61 1.51 0.95 -1.80 117.35 120.18 1t61 s TYR 141 Ca 0.00 -0.37 -0.27 0.00 -1.01 0.00 0.00 57.07 55.42 1t61 s TYR 141 Cb 0.00 -1.42 -0.01 0.00 -0.11 0.00 0.00 41.96 40.42 1t61 s TYR 141 CO 0.00 0.15 1.78 -1.12 -1.11 0.00 0.00 175.55 175.24 1t61 s SER 142 N -1.24 5.49 -0.34 2.29 0.01 -0.44 -1.79 113.70 117.68 1t61 s SER 142 Ca 0.12 0.43 -0.14 0.00 1.31 0.00 0.00 55.95 57.67 1t61 s SER 142 Cb -0.10 -2.53 -0.01 0.00 0.21 0.00 0.00 66.02 63.58 1t61 s SER 142 CO 0.03 -2.19 0.30 0.12 0.41 0.00 0.00 173.24 171.91 1t61 s PHE 143 N 8.29 3.22 -0.22 2.43 5.36 0.85 -1.79 117.98 136.12 1t61 s PHE 143 Ca 0.66 -0.14 -0.16 0.00 -0.96 0.00 0.00 56.93 56.33 1t61 s PHE 143 Cb -0.14 -2.58 -0.09 0.00 -0.34 0.00 0.00 43.02 39.87 1t61 s PHE 143 CO 0.23 -0.41 -0.32 0.28 -1.46 0.00 0.00 175.22 173.54 1t61 n VAL 144 N 5.18 1.51 -3.73 3.12 0.31 -0.38 -4.36 118.33 119.98 1t61 n VAL 144 Ca -0.11 -0.09 -0.09 0.00 -0.01 0.00 0.00 64.34 64.05 1t61 n VAL 144 Cb 0.49 -2.14 0.00 0.00 -0.91 0.00 0.00 33.84 31.29 1t61 n VAL 144 CO 0.00 0.00 0.00 1.15 -1.32 0.00 0.00 176.83 176.66 1t61 n MET 145 N -4.38 0.74 -3.46 5.55 0.00 -1.10 -0.18 117.12 114.30 1t61 n MET 145 Ca -0.32 -1.87 -0.11 0.00 0.00 0.00 0.00 57.70 55.40 1t61 n MET 145 Cb 0.67 2.10 -0.02 0.00 0.00 0.00 0.00 33.22 35.97 1t61 n MET 145 CO 0.00 0.00 0.00 -3.38 0.00 0.00 0.00 175.97 172.59 1t61 s HIS 146 N -3.66 -0.46 0.04 3.17 -3.43 -0.68 -0.02 115.29 110.24 1t61 s HIS 146 Ca 0.16 0.32 -0.05 0.00 -0.80 0.00 0.00 55.06 54.69 1t61 s HIS 146 Cb -0.03 0.54 -0.01 0.00 -1.43 0.00 0.00 32.58 31.65 1t61 s HIS 146 CO 0.12 -0.71 0.09 0.95 -2.00 0.00 0.00 174.74 173.19 1t61 s THR 147 N -3.33 0.14 0.00 -5.38 -4.23 -0.75 -2.73 115.64 99.36 1t61 s THR 147 Ca 0.02 -1.15 0.00 0.00 -1.18 0.00 0.00 61.69 59.38 1t61 s THR 147 Cb -0.01 -0.97 0.00 0.00 1.34 0.00 0.00 72.50 72.86 1t61 s THR 147 CO -0.10 -0.64 0.00 -0.24 -0.54 0.00 0.00 174.62 173.10 1t61 n SER 148 N 0.66 0.00 -4.63 3.99 2.88 -0.05 -1.05 113.62 115.42 1t61 n SER 148 Ca -0.18 0.00 -0.47 0.00 -1.33 0.00 0.00 58.87 56.89 1t61 n SER 148 Cb 0.59 0.00 -0.04 0.00 -0.75 0.00 0.00 64.21 64.01 1t61 n SER 148 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1t61 n ALA 149 N -3.00 0.24 -1.35 -1.46 0.00 -1.26 -0.94 120.51 112.74 1t61 n ALA 149 Ca 0.00 0.45 -0.12 0.00 0.00 0.00 0.00 53.44 53.76 1t61 n ALA 149 Cb 0.00 -2.17 -0.05 0.00 0.00 0.00 0.00 19.45 17.22 1t61 n ALA 149 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1t61 n GLY 150 N 2.30 1.15 2.51 0.00 0.00 -1.26 -1.50 105.19 108.39 1t61 n GLY 150 Ca 0.14 -0.00 -0.12 0.00 0.00 0.00 0.00 46.02 46.04 1t61 n GLY 150 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1t61 n ALA 151 N 1.22 -0.18 -2.26 4.61 0.00 -0.11 -4.99 120.51 118.81 1t61 n ALA 151 Ca -0.12 0.19 -0.27 0.00 0.00 0.00 0.00 53.44 53.24 1t61 n ALA 151 Cb 0.61 -1.50 0.01 0.00 0.00 0.00 0.00 19.45 18.56 1t61 n ALA 151 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 1t61 s GLU 152 N -2.85 3.39 0.00 0.00 0.41 -0.56 -4.69 118.70 114.40 1t61 s GLU 152 Ca 0.00 0.08 0.00 0.00 -0.41 0.00 0.00 54.97 54.64 1t61 s GLU 152 Cb 0.00 -2.39 0.00 0.00 -1.78 0.00 0.00 34.13 29.96 1t61 s GLU 152 CO 0.00 -0.28 0.00 0.41 -0.49 0.00 0.00 175.26 174.90 1t61 n GLY 153 N -2.28 -0.66 1.67 -1.39 0.00 -1.26 -0.87 105.19 100.39 1t61 n GLY 153 Ca 0.01 -0.73 -0.05 0.00 0.00 0.00 0.00 46.02 45.24 1t61 n GLY 153 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1t61 n SER 154 N 0.10 -0.86 -2.14 1.61 3.41 -1.11 -4.68 113.62 109.95 1t61 n SER 154 Ca 0.00 -1.81 -0.08 0.00 -0.26 0.00 0.00 58.87 56.72 1t61 n SER 154 Cb 0.00 1.50 -0.01 0.00 -0.26 0.00 0.00 64.21 65.43 1t61 n SER 154 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1t61 n GLY 155 N -0.26 2.40 3.66 5.00 0.00 -1.26 -1.69 105.19 113.04 1t61 n GLY 155 Ca -0.02 -1.47 -0.24 0.00 0.00 0.00 0.00 46.02 44.29 1t61 n GLY 155 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1t61 s GLN 156 N -2.41 2.36 -0.14 1.61 -1.52 0.75 -4.79 119.66 115.52 1t61 s GLN 156 Ca 0.16 -1.32 -0.23 0.00 -1.95 0.00 0.00 55.36 52.01 1t61 s GLN 156 Cb -0.01 -2.23 -0.03 0.00 -0.22 0.00 0.00 33.01 30.52 1t61 s GLN 156 CO 0.11 0.39 0.73 0.00 -0.25 0.00 0.00 175.29 176.27 1t61 s ALA 157 N -2.17 3.46 0.33 6.09 0.00 -1.26 -4.90 121.76 123.30 1t61 s ALA 157 Ca 0.30 -0.01 0.37 0.00 0.00 0.00 0.00 51.96 52.62 1t61 s ALA 157 Cb -0.07 -3.06 1.92 0.00 0.00 0.00 0.00 23.12 21.91 1t61 s ALA 157 CO 0.20 -0.42 2.13 -0.07 0.00 0.00 0.00 175.76 177.60 1t61 h LEU 158 N 7.70 0.00 0.00 0.00 3.38 -1.95 -0.31 115.31 124.13 1t61 h LEU 158 Ca -0.34 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.63 1t61 h LEU 158 Cb 1.16 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.91 1t61 h LEU 158 CO 0.79 0.00 -0.47 0.00 0.09 0.00 0.00 178.44 178.84 1t61 n ALA 159 N -2.01 2.93 -2.27 1.53 0.00 -1.26 -4.58 120.51 114.85 1t61 n ALA 159 Ca -0.02 -0.23 -0.34 0.00 0.00 0.00 0.00 53.44 52.86 1t61 n ALA 159 Cb 0.12 -1.22 -0.06 0.00 0.00 0.00 0.00 19.45 18.29 1t61 n ALA 159 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1t61 s SER 160 N -3.90 6.79 0.64 0.00 0.15 -0.13 -0.99 113.70 116.27 1t61 s SER 160 Ca 0.08 1.15 0.40 0.00 0.70 0.00 0.00 55.95 58.29 1t61 s SER 160 Cb 0.15 -2.32 2.25 0.00 -1.71 0.00 0.00 66.02 64.39 1t61 s SER 160 CO 0.69 -0.05 2.33 -0.65 1.20 0.00 0.00 173.24 176.76 1t61 h PRO 161 N 2.87 0.00 0.00 5.44 0.11 -1.84 -1.56 132.00 137.02 1t61 h PRO 161 Ca -0.48 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.63 1t61 h PRO 161 Cb 1.18 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.29 1t61 h PRO 161 CO 0.67 0.00 -0.03 0.78 -0.21 0.00 0.00 178.00 179.21 1t61 h GLY 162 N 0.06 0.00 -0.60 -0.55 0.00 -1.85 -0.32 103.07 99.81 1t61 h GLY 162 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1t61 h GLY 162 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 176.54 175.40 1t61 n SER 163 N -3.26 1.28 -3.83 0.19 3.41 -0.59 -4.55 113.62 106.28 1t61 n SER 163 Ca -0.02 -1.74 -0.30 0.00 -0.26 0.00 0.00 58.87 56.56 1t61 n SER 163 Cb 0.17 -0.11 -0.14 0.00 -0.26 0.00 0.00 64.21 63.87 1t61 n SER 163 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1t61 s LEU 165 N 0.23 4.34 0.30 0.00 1.43 -0.74 -4.75 118.68 119.49 1t61 s LEU 165 Ca 0.16 1.27 0.03 0.00 -1.03 0.00 0.00 54.13 54.56 1t61 s LEU 165 Cb -0.24 -3.14 0.48 0.00 0.03 0.00 0.00 46.19 43.31 1t61 s LEU 165 CO -0.02 -0.11 1.77 -0.33 0.23 0.00 0.00 176.35 177.89 1t61 h GLU 166 N 6.59 0.47 -4.99 1.70 5.08 -1.88 0.27 114.58 121.82 1t61 h GLU 166 Ca -0.42 -0.15 -0.66 0.00 -1.00 0.00 0.00 59.36 57.13 1t61 h GLU 166 Cb 1.20 -0.04 -0.30 0.00 0.50 0.00 0.00 28.75 30.11 1t61 h GLU 166 CO 0.75 0.64 -0.76 -1.21 -1.00 0.00 0.00 179.01 177.42 1t61 s GLU 167 N -4.62 3.17 0.13 2.33 2.02 -1.26 -4.68 118.70 115.80 1t61 s GLU 167 Ca -0.07 -0.75 -0.31 0.00 0.02 0.00 0.00 54.97 53.87 1t61 s GLU 167 Cb 0.14 -2.89 -0.08 0.00 0.10 0.00 0.00 34.13 31.40 1t61 s GLU 167 CO 0.78 -0.24 1.29 0.12 0.02 0.00 0.00 175.26 177.23 1t61 s PHE 168 N 1.40 3.33 -0.03 1.61 2.19 -1.26 -4.98 117.98 120.24 1t61 s PHE 168 Ca 0.05 1.18 0.00 0.00 0.33 0.00 0.00 56.93 58.49 1t61 s PHE 168 Cb -0.14 -3.56 0.03 0.00 -1.31 0.00 0.00 43.02 38.04 1t61 s PHE 168 CO -0.06 -1.79 0.01 1.03 1.83 0.00 0.00 175.22 176.24 1t61 s ARG 169 N 0.59 0.19 0.33 10.12 1.81 -1.26 -5.01 118.95 125.71 1t61 s ARG 169 Ca 0.59 0.12 0.05 0.00 -1.72 0.00 0.00 55.73 54.78 1t61 s ARG 169 Cb -0.34 -0.42 0.57 0.00 -0.45 0.00 0.00 34.95 34.31 1t61 s ARG 169 CO 0.33 -0.16 1.82 1.03 -0.68 0.00 0.00 175.30 177.64 1t61 h SER 170 N 7.35 0.39 -3.22 0.23 0.87 -2.00 -3.29 113.55 113.88 1t61 h SER 170 Ca -0.42 -0.10 -0.62 0.00 -1.23 0.00 0.00 61.79 59.43 1t61 h SER 170 Cb 1.13 -0.10 -0.41 0.00 -0.44 0.00 0.00 62.40 62.58 1t61 h SER 170 CO 0.46 0.57 -0.69 0.00 -0.53 0.00 0.00 176.83 176.65 1t61 s ALA 171 N -4.66 2.99 -1.12 6.23 0.00 -1.26 -4.44 121.76 119.51 1t61 s ALA 171 Ca -0.06 -3.27 0.27 0.00 0.00 0.00 0.00 51.96 48.89 1t61 s ALA 171 Cb 0.15 -2.01 1.21 0.00 0.00 0.00 0.00 23.12 22.47 1t61 s ALA 171 CO 0.76 -2.06 1.88 -0.35 0.00 0.00 0.00 175.76 176.00 1t61 n PRO 172 N 2.58 0.11 -4.15 0.00 -0.04 -1.24 -4.85 135.00 127.42 1t61 n PRO 172 Ca 0.17 0.04 -0.09 0.00 -0.04 0.00 0.00 63.50 63.58 1t61 n PRO 172 Cb 0.37 -1.50 -0.10 0.00 -0.04 0.00 0.00 33.50 32.23 1t61 n PRO 172 CO 0.00 0.00 0.00 -0.59 -0.04 0.00 0.00 175.50 174.87 1t61 s PHE 173 N -2.88 0.80 0.06 0.54 -0.71 -1.26 -0.48 117.98 114.06 1t61 s PHE 173 Ca 0.17 -1.11 0.08 0.00 -1.04 0.00 0.00 56.93 55.03 1t61 s PHE 173 Cb 0.18 -0.49 -0.03 0.00 -1.21 0.00 0.00 43.02 41.47 1t61 s PHE 173 CO 0.47 -0.38 -0.22 -1.50 -1.34 0.00 0.00 175.22 172.25 1t61 s ILE 174 N -3.89 1.82 -0.19 -4.49 2.07 -0.08 -4.78 121.20 111.65 1t61 s ILE 174 Ca 0.17 -1.35 -0.11 0.00 -1.41 0.00 0.00 60.65 57.95 1t61 s ILE 174 Cb 0.07 -1.59 -0.05 0.00 0.13 0.00 0.00 42.46 41.02 1t61 s ILE 174 CO -0.03 0.17 0.16 -0.70 -1.91 0.00 0.00 174.94 172.64 1t61 s GLU 175 N -1.41 4.20 0.21 3.50 2.12 -0.83 -2.21 118.70 124.27 1t61 s GLU 175 Ca 0.09 -0.16 0.10 0.00 0.36 0.00 0.00 54.97 55.35 1t61 s GLU 175 Cb -0.09 -3.42 -0.05 0.00 0.26 0.00 0.00 34.13 30.83 1t61 s GLU 175 CO 0.03 0.29 -0.19 0.00 -0.54 0.00 0.00 175.26 174.84 1t61 s HIS 177 N -2.24 1.78 0.58 0.00 0.09 0.37 -1.43 115.29 114.43 1t61 s HIS 177 Ca 0.22 -0.75 0.40 0.00 -0.00 0.00 0.00 55.06 54.93 1t61 s HIS 177 Cb -0.05 -1.00 2.17 0.00 -0.00 0.00 0.00 32.58 33.70 1t61 s HIS 177 CO 0.10 0.19 2.30 0.78 -0.00 0.00 0.00 174.74 178.10 1t61 h GLY 178 N 2.39 0.00 2.00 -2.22 0.00 -1.70 -0.98 103.07 102.56 1t61 h GLY 178 Ca -0.39 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.94 1t61 h GLY 178 CO 0.66 0.00 0.00 3.21 0.00 0.00 0.00 176.54 180.41 1t61 h ARG 179 N 0.00 0.00 0.00 4.80 2.47 -1.88 -3.46 114.38 116.31 1t61 h ARG 179 Ca -0.00 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.72 1t61 h ARG 179 Cb 0.08 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.40 1t61 h ARG 179 CO 0.00 0.00 0.00 0.41 0.56 0.00 0.00 179.97 180.94 1t61 n GLY 180 N -0.66 0.79 3.47 0.04 0.00 -0.37 -5.06 105.19 103.41 1t61 n GLY 180 Ca -0.00 -0.44 -0.30 0.00 0.00 0.00 0.00 46.02 45.28 1t61 n GLY 180 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1t61 s THR 181 N -2.00 2.84 0.06 2.61 -4.23 -1.25 -3.74 115.64 109.93 1t61 s THR 181 Ca 0.00 -1.26 0.01 0.00 -1.18 0.00 0.00 61.69 59.27 1t61 s THR 181 Cb 0.00 -2.23 -0.03 0.00 1.34 0.00 0.00 72.50 71.58 1t61 s THR 181 CO 0.00 0.27 -0.06 0.00 -0.54 0.00 0.00 174.62 174.29 1t61 s ASN 183 N -2.18 -0.11 -0.22 0.00 2.47 0.13 0.16 114.94 115.18 1t61 s ASN 183 Ca -0.02 -0.19 -0.08 0.00 0.42 0.00 0.00 52.86 52.99 1t61 s ASN 183 Cb -0.03 0.26 -0.04 0.00 -1.45 0.00 0.00 41.25 39.99 1t61 s ASN 183 CO -0.03 -0.47 0.09 -0.31 -3.72 0.00 0.00 177.10 172.67 1t61 s TYR 184 N -2.69 3.20 0.16 0.43 1.51 -1.26 -1.97 117.35 116.73 1t61 s TYR 184 Ca 0.13 -0.06 0.08 0.00 -1.01 0.00 0.00 57.07 56.20 1t61 s TYR 184 Cb 0.02 -2.19 -0.04 0.00 -0.11 0.00 0.00 41.96 39.65 1t61 s TYR 184 CO -0.03 -0.06 -0.05 0.71 -1.11 0.00 0.00 175.55 175.02 1t61 s TYR 185 N 1.01 2.77 0.62 2.71 1.51 -1.26 -5.02 117.35 119.69 1t61 s TYR 185 Ca 0.05 -0.16 0.32 0.00 -1.01 0.00 0.00 57.07 56.27 1t61 s TYR 185 Cb -0.14 -1.37 1.77 0.00 -0.11 0.00 0.00 41.96 42.11 1t61 s TYR 185 CO 0.03 0.50 2.10 0.00 -1.11 0.00 0.00 175.55 177.07 1t61 h ALA 186 N 2.99 1.60 -0.38 3.71 0.00 -2.03 -1.70 119.26 123.45 1t61 h ALA 186 Ca -0.47 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.43 1t61 h ALA 186 Cb 1.19 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.99 1t61 h ALA 186 CO 0.56 -0.28 0.00 0.27 0.00 0.00 0.00 179.25 179.80 1t61 n ASN 187 N -3.51 2.36 -4.62 0.00 6.94 -1.26 -4.85 115.26 110.33 1t61 n ASN 187 Ca 0.01 -1.93 -0.43 0.00 -0.02 0.00 0.00 54.58 52.21 1t61 n ASN 187 Cb 0.31 -0.25 -0.02 0.00 -2.36 0.00 0.00 39.78 37.46 1t61 n ASN 187 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1t61 s ALA 188 N -1.49 3.23 -0.06 -2.53 0.00 -0.64 -4.32 121.76 115.95 1t61 s ALA 188 Ca 0.32 -0.03 0.04 0.00 0.00 0.00 0.00 51.96 52.30 1t61 s ALA 188 Cb 0.17 -3.85 -0.02 0.00 0.00 0.00 0.00 23.12 19.42 1t61 s ALA 188 CO 0.23 -2.04 -0.19 0.71 0.00 0.00 0.00 175.76 174.48 1t61 s TYR 189 N 4.79 2.59 -0.10 0.00 4.12 -0.21 -4.99 117.35 123.55 1t61 s TYR 189 Ca 0.58 -0.39 0.02 0.00 0.02 0.00 0.00 57.07 57.30 1t61 s TYR 189 Cb -0.15 -1.63 -0.02 0.00 -1.52 0.00 0.00 41.96 38.65 1t61 s TYR 189 CO 0.27 0.01 -0.16 -1.54 0.02 0.00 0.00 175.55 174.15 1t61 s SER 190 N -0.44 3.77 -0.12 2.29 1.04 -1.26 -1.80 113.70 117.17 1t61 s SER 190 Ca 0.05 -0.35 -0.01 0.00 0.48 0.00 0.00 55.95 56.12 1t61 s SER 190 Cb -0.12 -1.30 -0.02 0.00 0.10 0.00 0.00 66.02 64.68 1t61 s SER 190 CO 0.02 0.22 -0.08 -0.36 0.98 0.00 0.00 173.24 174.02 1t61 s PHE 191 N 0.02 2.93 0.12 5.02 0.08 0.97 -4.98 117.98 122.14 1t61 s PHE 191 Ca -0.06 -0.32 0.06 0.00 0.12 0.00 0.00 56.93 56.74 1t61 s PHE 191 Cb -0.15 -1.86 -0.04 0.00 -0.57 0.00 0.00 43.02 40.41 1t61 s PHE 191 CO 0.05 0.00 -0.15 -1.58 -0.10 0.00 0.00 175.22 173.44 1t61 s TRP 192 N 0.05 1.48 0.33 0.36 0.52 -1.26 -1.24 118.94 119.19 1t61 s TRP 192 Ca -0.02 -0.52 -0.29 0.00 0.02 0.00 0.00 56.10 55.30 1t61 s TRP 192 Cb -0.14 -0.78 -0.10 0.00 -1.15 0.00 0.00 33.47 31.30 1t61 s TRP 192 CO 0.03 0.17 1.28 -0.51 0.02 0.00 0.00 176.95 177.95 1t61 s LEU 193 N -2.36 4.42 0.51 2.99 1.43 -0.74 -4.89 118.68 120.05 1t61 s LEU 193 Ca 0.09 2.64 -0.02 0.00 -1.03 0.00 0.00 54.13 55.81 1t61 s LEU 193 Cb -0.06 -3.67 0.01 0.00 0.03 0.00 0.00 46.19 42.50 1t61 s LEU 193 CO 0.04 -0.51 0.77 0.00 0.23 0.00 0.00 176.35 176.87 1t61 s ALA 194 N -1.16 3.62 0.04 4.21 0.00 -1.26 -1.30 121.76 125.91 1t61 s ALA 194 Ca 0.49 -0.98 -0.20 0.00 0.00 0.00 0.00 51.96 51.27 1t61 s ALA 194 Cb -0.39 -2.29 -0.06 0.00 0.00 0.00 0.00 23.12 20.39 1t61 s ALA 194 CO 0.51 -0.59 0.58 0.95 0.00 0.00 0.00 175.76 177.22 1t61 s THR 195 N -2.74 4.81 -0.11 0.00 -4.23 -1.24 -4.38 115.64 107.75 1t61 s THR 195 Ca 0.52 1.23 -0.01 0.00 -1.18 0.00 0.00 61.69 62.26 1t61 s THR 195 Cb -0.10 -3.92 0.03 0.00 1.34 0.00 0.00 72.50 69.85 1t61 s THR 195 CO 0.40 0.49 -0.06 -0.63 -0.54 0.00 0.00 174.62 174.28 1t61 s ILE 196 N -0.70 0.94 0.38 2.99 1.01 0.36 -4.94 121.20 121.23 1t61 s ILE 196 Ca 0.30 -0.24 -0.23 0.00 0.00 0.00 0.00 60.65 60.48 1t61 s ILE 196 Cb -0.19 -0.98 -0.10 0.00 0.01 0.00 0.00 42.46 41.20 1t61 s ILE 196 CO 0.18 0.35 0.94 -0.70 0.00 0.00 0.00 174.94 175.71 1t61 s GLU 197 N 1.74 4.37 0.24 2.79 2.12 -1.26 -4.83 118.70 123.88 1t61 s GLU 197 Ca 0.05 1.19 -0.09 0.00 0.36 0.00 0.00 54.97 56.48 1t61 s GLU 197 Cb -0.13 -2.46 0.39 0.00 0.26 0.00 0.00 34.13 32.19 1t61 s GLU 197 CO -0.08 0.11 1.63 -0.09 -0.54 0.00 0.00 175.26 176.29 1t61 h ARG 198 N 2.48 0.06 0.00 4.30 2.43 -2.00 0.20 114.38 121.85 1t61 h ARG 198 Ca -0.48 -0.00 0.00 0.00 -0.81 0.00 0.00 59.98 58.69 1t61 h ARG 198 Cb 1.18 -0.01 0.00 0.00 -0.42 0.00 0.00 29.97 30.72 1t61 h ARG 198 CO 0.63 0.04 0.00 -1.13 -1.51 0.00 0.00 179.97 178.00 1t61 n SER 199 N -5.39 0.00 0.03 -3.80 3.41 -1.26 -2.84 113.62 103.77 1t61 n SER 199 Ca 0.12 0.15 0.11 0.00 -0.26 0.00 0.00 58.87 59.00 1t61 n SER 199 Cb 0.44 -0.34 -0.00 0.00 -0.26 0.00 0.00 64.21 64.04 1t61 n SER 199 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1t61 n GLU 200 N -1.34 0.36 -0.12 4.33 1.02 0.69 -4.54 120.64 121.04 1t61 n GLU 200 Ca 0.07 -0.01 -0.07 0.00 -0.02 0.00 0.00 57.16 57.14 1t61 n GLU 200 Cb 0.16 -1.61 -0.01 0.00 -0.02 0.00 0.00 31.44 29.97 1t61 n GLU 200 CO 0.00 0.00 0.00 0.52 1.18 0.00 0.00 177.13 178.83 1t61 h MET 201 N 0.00 -0.21 -1.63 3.49 2.86 -1.42 -2.65 114.93 115.38 1t61 h MET 201 Ca 0.00 0.01 -0.67 0.00 -2.06 0.00 0.00 59.70 56.98 1t61 h MET 201 Cb 0.79 0.05 -0.35 0.00 0.06 0.00 0.00 31.60 32.15 1t61 h MET 201 CO 0.00 -0.14 0.14 1.19 1.06 0.00 0.00 176.91 179.16 1t61 n PHE 202 N -5.41 3.17 -4.12 -0.22 3.01 -1.26 -4.94 117.46 107.69 1t61 n PHE 202 Ca 0.02 -2.71 -0.14 0.00 1.01 0.00 0.00 57.45 55.63 1t61 n PHE 202 Cb 0.33 -0.67 -0.11 0.00 -0.01 0.00 0.00 39.48 39.02 1t61 n PHE 202 CO 0.00 0.00 0.00 0.21 1.01 0.00 0.00 176.76 177.98 1t61 s LYS 203 N -3.79 0.68 0.10 -1.08 2.20 -1.00 -5.10 119.74 111.75 1t61 s LYS 203 Ca 0.51 -0.95 -0.33 0.00 -0.36 0.00 0.00 55.97 54.85 1t61 s LYS 203 Cb 0.43 -0.43 -0.12 0.00 -1.51 0.00 0.00 37.83 36.19 1t61 s LYS 203 CO -0.26 0.07 1.73 1.17 -0.36 0.00 0.00 175.35 177.70 1t61 n LYS 204 N 1.06 2.39 -1.71 4.03 4.81 -1.26 -4.89 118.16 122.59 1t61 n LYS 204 Ca -0.20 0.87 -0.41 0.00 -0.87 0.00 0.00 58.31 57.70 1t61 n LYS 204 Cb 0.56 -2.69 0.01 0.00 0.02 0.00 0.00 35.03 32.93 1t61 n LYS 204 CO 0.00 0.00 0.00 -2.30 1.17 0.00 0.00 177.40 176.27 1t61 n PRO 205 N 4.75 1.93 -3.15 1.64 -0.02 -1.26 -4.93 135.00 133.95 1t61 n PRO 205 Ca 0.18 0.69 -0.42 0.00 -2.02 0.00 0.00 63.50 61.93 1t61 n PRO 205 Cb 0.32 -2.41 -0.07 0.00 -0.02 0.00 0.00 33.50 31.32 1t61 n PRO 205 CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 1t61 s THR 206 N -1.21 4.93 0.53 3.45 2.01 -1.26 -5.03 115.64 119.06 1t61 s THR 206 Ca 0.62 0.53 -0.22 0.00 0.31 0.00 0.00 61.69 62.92 1t61 s THR 206 Cb -0.50 -4.03 -0.06 0.00 0.01 0.00 0.00 72.50 67.92 1t61 s THR 206 CO 0.57 -0.27 1.35 -2.65 -0.69 0.00 0.00 174.62 172.94 1t61 n PRO 207 N 5.93 1.76 -3.69 4.92 -0.02 -1.26 -5.02 135.00 137.62 1t61 n PRO 207 Ca -0.02 0.64 -0.13 0.00 -2.02 0.00 0.00 63.50 61.97 1t61 n PRO 207 Cb 0.49 -2.56 -0.09 0.00 -0.02 0.00 0.00 33.50 31.32 1t61 n PRO 207 CO 0.00 0.00 0.00 -1.54 1.98 0.00 0.00 175.50 175.94 1t61 s SER 208 N -0.84 -0.55 -0.20 2.55 1.04 -1.26 -5.13 113.70 109.32 1t61 s SER 208 Ca 0.70 1.06 -0.01 0.00 0.48 0.00 0.00 55.95 58.17 1t61 s SER 208 Cb -0.43 1.07 0.01 0.00 0.10 0.00 0.00 66.02 66.77 1t61 s SER 208 CO 0.51 -0.18 -0.13 -0.89 0.98 0.00 0.00 173.24 173.52 1t61 s THR 209 N 0.28 2.61 -0.04 2.02 2.01 -1.26 -5.11 115.64 116.15 1t61 s THR 209 Ca -0.00 -0.75 0.00 0.00 0.31 0.00 0.00 61.69 61.25 1t61 s THR 209 Cb -0.04 -2.14 -0.03 0.00 0.01 0.00 0.00 72.50 70.30 1t61 s THR 209 CO 0.01 0.49 -0.02 -0.76 -0.69 0.00 0.00 174.62 173.65 1t61 s LEU 210 N 1.36 3.44 0.39 4.42 1.43 -1.26 -5.13 118.68 123.33 1t61 s LEU 210 Ca 0.05 0.03 0.08 0.00 -1.03 0.00 0.00 54.13 53.26 1t61 s LEU 210 Cb -0.14 -1.88 -0.06 0.00 0.03 0.00 0.00 46.19 44.15 1t61 s LEU 210 CO -0.09 0.33 0.07 -0.54 0.23 0.00 0.00 176.35 176.35 1t61 s LYS 211 N -1.19 2.07 0.03 1.70 1.02 -1.26 -4.92 119.74 117.19 1t61 s LYS 211 Ca 0.16 -1.92 -0.30 0.00 0.02 0.00 0.00 55.97 53.93 1t61 s LYS 211 Cb -0.11 -1.83 -0.15 0.00 -0.52 0.00 0.00 37.83 35.21 1t61 s LYS 211 CO 0.06 -0.02 0.76 0.00 -0.92 0.00 0.00 175.35 175.22 1t61 n ALA 212 N -1.05 -2.89 -0.58 5.17 0.00 -1.26 -0.98 120.51 118.92 1t61 n ALA 212 Ca -0.03 0.45 0.00 0.00 0.00 0.00 0.00 53.44 53.85 1t61 n ALA 212 Cb 0.65 -1.36 0.00 0.00 0.00 0.00 0.00 19.45 18.74 1t61 n ALA 212 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1t61 n GLY 213 N 1.26 0.97 0.18 0.00 0.00 -1.26 -4.82 105.19 101.53 1t61 n GLY 213 Ca 0.15 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.19 1t61 n GLY 213 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1t61 n GLU 214 N -2.00 0.73 -0.03 1.61 2.13 -0.16 -4.90 120.64 118.02 1t61 n GLU 214 Ca 0.00 -1.22 -0.02 0.00 0.66 0.00 0.00 57.16 56.57 1t61 n GLU 214 Cb 0.00 -0.77 -0.01 0.00 0.27 0.00 0.00 31.44 30.93 1t61 n GLU 214 CO 0.00 0.00 0.00 1.28 -0.41 0.00 0.00 177.13 178.00 1t61 n LEU 215 N -0.35 0.84 -0.47 4.31 4.77 -1.25 -4.46 117.00 120.39 1t61 n LEU 215 Ca 0.03 0.38 0.39 0.00 -0.03 0.00 0.00 56.01 56.78 1t61 n LEU 215 Cb 0.55 -0.66 0.68 0.00 -2.33 0.00 0.00 43.42 41.66 1t61 n LEU 215 CO 0.00 -0.47 1.28 0.03 -1.33 0.00 0.00 177.39 176.90 1t61 h ARG 216 N -0.46 0.08 -0.15 3.23 3.08 -1.95 0.33 114.38 118.54 1t61 h ARG 216 Ca 0.00 -0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 1t61 h ARG 216 Cb 0.27 -0.02 0.00 0.00 0.08 0.00 0.00 29.97 30.30 1t61 h ARG 216 CO 0.00 0.05 0.00 0.25 -1.07 0.00 0.00 179.97 179.20 1t61 n THR 217 N -4.53 0.20 -0.89 2.04 -2.24 -1.26 -3.32 114.28 104.28 1t61 n THR 217 Ca 0.37 -0.20 0.03 0.00 -2.27 0.00 0.00 64.05 61.97 1t61 n THR 217 Cb 1.48 0.09 0.04 0.00 -2.10 0.00 0.00 70.33 69.84 1t61 n THR 217 CO 0.00 0.00 0.00 1.41 -0.57 0.00 0.00 175.07 175.91 1t61 n HIS 218 N -0.07 0.00 -4.82 4.78 8.25 0.12 -4.83 115.22 118.64 1t61 n HIS 218 Ca 0.07 -0.42 -0.33 0.00 -0.26 0.00 0.00 57.72 56.77 1t61 n HIS 218 Cb 0.14 -0.06 -0.14 0.00 1.12 0.00 0.00 29.99 31.05 1t61 n HIS 218 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 1t61 s VAL 219 N -1.08 3.08 0.47 1.59 1.01 -1.21 -3.73 120.40 120.54 1t61 s VAL 219 Ca 0.08 -0.68 -0.23 0.00 0.00 0.00 0.00 61.98 61.15 1t61 s VAL 219 Cb 0.07 -2.25 -0.08 0.00 0.00 0.00 0.00 36.38 34.12 1t61 s VAL 219 CO 0.01 0.56 1.19 -0.24 0.00 0.00 0.00 175.10 176.61 1t61 n SER 220 N 2.96 2.04 -4.89 3.32 2.88 -0.42 -4.64 113.62 114.88 1t61 n SER 220 Ca -0.18 1.02 -0.21 0.00 -1.33 0.00 0.00 58.87 58.17 1t61 n SER 220 Cb 0.52 -1.47 -0.03 0.00 -0.75 0.00 0.00 64.21 62.49 1t61 n SER 220 CO 0.00 0.00 0.00 -0.13 -1.23 0.00 0.00 175.04 173.68 1t61 s ARG 221 N -2.39 3.08 0.24 -1.46 1.81 -0.95 -1.33 118.95 117.95 1t61 s ARG 221 Ca 0.66 -1.00 -0.04 0.00 -1.72 0.00 0.00 55.73 53.63 1t61 s ARG 221 Cb -0.48 -2.68 -0.02 0.00 -0.45 0.00 0.00 34.95 31.31 1t61 s ARG 221 CO 0.54 0.32 0.28 0.00 -0.68 0.00 0.00 175.30 175.76 1t61 s GLN 223 N -3.94 0.33 -0.16 0.00 0.74 -0.76 -1.62 119.66 114.26 1t61 s GLN 223 Ca 0.34 0.52 -0.14 0.00 0.05 0.00 0.00 55.36 56.13 1t61 s GLN 223 Cb 0.04 0.06 -0.05 0.00 1.10 0.00 0.00 33.01 34.16 1t61 s GLN 223 CO 0.14 -0.09 0.30 0.08 -0.55 0.00 0.00 175.29 175.16 1t61 s VAL 224 N 0.67 5.30 0.13 1.34 1.01 0.97 -1.63 120.40 128.20 1t61 s VAL 224 Ca -0.04 0.57 0.07 0.00 0.00 0.00 0.00 61.98 62.58 1t61 s VAL 224 Cb -0.05 -3.64 -0.04 0.00 0.00 0.00 0.00 36.38 32.64 1t61 s VAL 224 CO -0.04 0.38 -0.16 0.00 0.00 0.00 0.00 175.10 175.28 1t61 s MET 226 N -2.64 1.59 -0.02 0.00 -2.45 0.10 -0.94 119.30 114.93 1t61 s MET 226 Ca 0.11 -0.58 -0.30 0.00 -1.25 0.00 0.00 55.69 53.67 1t61 s MET 226 Cb -0.06 -1.43 -0.07 0.00 1.25 0.00 0.00 34.83 34.53 1t61 s MET 226 CO 0.04 0.26 1.79 0.50 1.05 0.00 0.00 175.02 178.67 1t61 s ARG 227 N -0.07 4.15 0.00 4.11 6.06 -1.01 -1.22 118.95 130.96 1t61 s ARG 227 Ca -0.01 2.36 0.00 0.00 -2.50 0.00 0.00 55.73 55.58 1t61 s ARG 227 Cb -0.10 -4.07 0.00 0.00 0.06 0.00 0.00 34.95 30.84 1t61 s ARG 227 CO 0.01 -0.91 0.00 0.54 -2.50 0.00 0.00 175.30 172.44