#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x50 n SER 2 N 0.00 -5.37 -4.62 1.61 2.88 -1.26 -4.95 113.62 101.91 1x50 n SER 2 Ca 0.00 -0.57 -0.41 0.00 -1.33 0.00 0.00 58.87 56.56 1x50 n SER 2 Cb 0.00 -4.98 -0.06 0.00 -0.75 0.00 0.00 64.21 58.42 1x50 n SER 2 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 1x50 s SER 3 N -3.54 6.61 0.00 -3.46 0.01 -1.26 -4.67 113.70 107.39 1x50 s SER 3 Ca 0.47 0.72 0.00 0.00 1.31 0.00 0.00 55.95 58.44 1x50 s SER 3 Cb -0.21 -2.35 0.00 0.00 0.21 0.00 0.00 66.02 63.67 1x50 s SER 3 CO 0.74 -0.42 0.00 0.61 0.41 0.00 0.00 173.24 174.58 1x50 n GLY 4 N 4.14 0.80 3.97 3.44 0.00 -1.26 -5.15 105.19 111.13 1x50 n GLY 4 Ca 0.00 -0.61 -0.19 0.00 0.00 0.00 0.00 46.02 45.23 1x50 n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1x50 s SER 5 N -0.10 5.82 0.13 1.61 0.15 -1.26 -5.13 113.70 114.93 1x50 s SER 5 Ca 0.00 -0.27 -0.24 0.00 0.70 0.00 0.00 55.95 56.14 1x50 s SER 5 Cb 0.00 -1.10 0.07 0.00 -1.71 0.00 0.00 66.02 63.28 1x50 s SER 5 CO 0.00 -0.47 0.61 -0.44 1.20 0.00 0.00 173.24 174.13 1x50 s SER 6 N -4.18 -0.57 0.00 5.45 0.01 -1.26 -5.15 113.70 108.00 1x50 s SER 6 Ca 0.46 0.09 0.00 0.00 1.31 0.00 0.00 55.95 57.81 1x50 s SER 6 Cb -0.09 0.59 0.00 0.00 0.21 0.00 0.00 66.02 66.73 1x50 s SER 6 CO 0.31 -0.92 0.00 0.61 0.41 0.00 0.00 173.24 173.65 1x50 n GLY 7 N -0.21 -1.95 4.16 3.44 0.00 -1.26 -4.96 105.19 104.42 1x50 n GLY 7 Ca -0.17 -1.58 -0.33 0.00 0.00 0.00 0.00 46.02 43.93 1x50 n GLY 7 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 1x50 n HIS 8 N 0.00 -1.70 -3.21 1.61 -0.00 -1.26 -4.91 115.22 105.74 1x50 n HIS 8 Ca 0.00 0.78 -0.39 0.00 -0.00 0.00 0.00 57.72 58.11 1x50 n HIS 8 Cb 0.00 -3.15 -0.06 0.00 -0.00 0.00 0.00 29.99 26.78 1x50 n HIS 8 CO 0.00 0.00 0.00 -1.14 -0.00 0.00 0.00 176.34 175.20 1x50 s GLN 9 N -6.86 4.28 -0.00 1.57 0.74 -1.26 -5.08 119.66 113.05 1x50 s GLN 9 Ca 0.53 0.82 -0.10 0.00 0.05 0.00 0.00 55.36 56.66 1x50 s GLN 9 Cb -0.29 -3.25 0.01 0.00 1.10 0.00 0.00 33.01 30.59 1x50 s GLN 9 CO 0.92 0.62 0.20 -0.65 -0.55 0.00 0.00 175.29 175.83 1x50 s GLN 10 N -1.09 0.55 -0.48 1.67 -0.21 -1.26 -5.11 119.66 113.74 1x50 s GLN 10 Ca 0.30 -0.33 -0.28 0.00 0.02 0.00 0.00 55.36 55.08 1x50 s GLN 10 Cb -0.20 0.23 -0.01 0.00 1.00 0.00 0.00 33.01 34.03 1x50 s GLN 10 CO 0.20 -0.14 1.75 -0.48 -2.12 0.00 0.00 175.29 174.50 1x50 s LEU 11 N -1.37 3.41 0.28 2.90 2.34 -1.26 -4.96 118.68 120.02 1x50 s LEU 11 Ca -0.14 0.75 0.03 0.00 0.06 0.00 0.00 54.13 54.83 1x50 s LEU 11 Cb -0.07 -3.06 -0.06 0.00 -0.56 0.00 0.00 46.19 42.45 1x50 s LEU 11 CO 0.03 -1.96 0.05 0.20 -1.06 0.00 0.00 176.35 173.60 1x50 s ASN 12 N 6.56 1.91 0.72 1.48 -0.87 -1.26 -5.15 114.94 118.33 1x50 s ASN 12 Ca 0.70 -1.33 -0.12 0.00 -1.57 0.00 0.00 52.86 50.54 1x50 s ASN 12 Cb -0.16 0.01 0.03 0.00 -0.02 0.00 0.00 41.25 41.10 1x50 s ASN 12 CO 0.27 -0.61 1.09 -0.44 -2.57 0.00 0.00 177.10 174.84 1x50 s SER 13 N -3.39 4.90 0.74 -1.22 0.01 -1.26 -4.95 113.70 108.53 1x50 s SER 13 Ca 0.34 1.84 -0.16 0.00 1.31 0.00 0.00 55.95 59.29 1x50 s SER 13 Cb 0.08 -2.53 -0.14 0.00 0.21 0.00 0.00 66.02 63.64 1x50 s SER 13 CO 0.13 -1.77 -0.49 0.00 0.41 0.00 0.00 173.24 171.52 1x50 n LEU 14 N -3.04 -4.71 0.00 2.44 -0.00 -1.26 -4.95 117.00 105.48 1x50 n LEU 14 Ca 0.09 0.35 -0.02 0.00 -0.00 0.00 0.00 56.01 56.43 1x50 n LEU 14 Cb 0.53 -0.74 0.02 0.00 -0.00 0.00 0.00 43.42 43.23 1x50 n LEU 14 CO 0.52 -5.14 0.04 -0.81 -0.00 0.00 0.00 177.39 172.00 1x50 n PRO 15 N 1.94 -1.17 -3.16 1.47 -0.04 -1.26 -5.03 135.00 127.75 1x50 n PRO 15 Ca 0.02 -0.12 -0.32 0.00 -0.04 0.00 0.00 63.50 63.03 1x50 n PRO 15 Cb 0.49 -0.12 -0.06 0.00 -0.04 0.00 0.00 33.50 33.77 1x50 n PRO 15 CO 0.00 0.00 0.00 0.99 -0.04 0.00 0.00 175.50 176.45 1x50 s THR 16 N -1.14 4.73 -1.12 0.52 2.01 -1.26 -5.02 115.64 114.36 1x50 s THR 16 Ca 0.05 0.84 -0.09 0.00 0.31 0.00 0.00 61.69 62.80 1x50 s THR 16 Cb -0.00 -3.62 0.28 0.00 0.01 0.00 0.00 72.50 69.16 1x50 s THR 16 CO 0.04 -0.20 1.14 1.15 -0.69 0.00 0.00 174.62 176.06 1x50 n MET 17 N -0.42 3.59 -4.05 4.92 0.00 -1.26 -5.02 117.12 114.87 1x50 n MET 17 Ca 0.03 -4.46 -0.32 0.00 0.00 0.00 0.00 57.70 52.95 1x50 n MET 17 Cb 0.53 -2.55 -0.06 0.00 0.00 0.00 0.00 33.22 31.14 1x50 n MET 17 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 175.97 174.14 1x50 s GLU 18 N -1.34 3.04 0.00 3.17 -1.05 -1.26 -4.97 118.70 116.30 1x50 s GLU 18 Ca 0.31 -0.57 0.00 0.00 -0.15 0.00 0.00 54.97 54.56 1x50 s GLU 18 Cb -0.09 -2.83 0.00 0.00 -0.44 0.00 0.00 34.13 30.77 1x50 s GLU 18 CO -0.07 0.61 0.00 0.41 0.95 0.00 0.00 175.26 177.15 1x50 n GLY 19 N 0.74 0.24 3.67 -3.83 0.00 -1.26 -5.05 105.19 99.70 1x50 n GLY 19 Ca -0.10 -1.71 -0.29 0.00 0.00 0.00 0.00 46.02 43.92 1x50 n GLY 19 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1x50 s PRO 20 N 0.00 0.30 1.18 1.61 0.04 -1.26 -5.05 135.00 131.83 1x50 s PRO 20 Ca 0.00 0.48 -0.18 0.00 0.04 0.00 0.00 61.00 61.34 1x50 s PRO 20 Cb 0.00 -1.73 0.28 0.00 0.04 0.00 0.00 34.50 33.09 1x50 s PRO 20 CO 0.00 -2.81 1.11 -1.25 0.04 0.00 0.00 177.00 174.09 1x50 s PRO 21 N -4.96 -1.05 0.31 0.56 0.04 -1.26 -5.05 135.00 123.58 1x50 s PRO 21 Ca 0.66 -0.00 -0.02 0.00 0.04 0.00 0.00 61.00 61.68 1x50 s PRO 21 Cb -0.19 -1.61 -0.04 0.00 0.04 0.00 0.00 34.50 32.70 1x50 s PRO 21 CO 0.58 -3.61 0.54 -0.08 0.04 0.00 0.00 177.00 174.46 1x50 s THR 22 N -3.00 5.09 -0.10 1.26 -1.32 -1.24 -5.04 115.64 111.29 1x50 s THR 22 Ca 0.70 -0.24 -0.03 0.00 -1.21 0.00 0.00 61.69 60.91 1x50 s THR 22 Cb -0.11 -3.80 0.04 0.00 -1.51 0.00 0.00 72.50 67.13 1x50 s THR 22 CO 0.56 -0.43 0.07 -0.36 -2.21 0.00 0.00 174.62 172.25 1x50 s PHE 23 N -2.19 0.20 -0.77 9.09 0.40 -1.26 -4.20 117.98 119.25 1x50 s PHE 23 Ca 0.41 -0.05 -0.01 0.00 -0.60 0.00 0.00 56.93 56.69 1x50 s PHE 23 Cb -0.10 -0.61 -0.01 0.00 0.51 0.00 0.00 43.02 42.81 1x50 s PHE 23 CO 0.33 -0.34 0.64 -1.71 0.70 0.00 0.00 175.22 174.84 1x50 n ASN 24 N 5.27 -2.52 -4.73 1.36 4.05 -1.14 -4.97 115.26 112.58 1x50 n ASN 24 Ca -0.05 -0.41 -0.42 0.00 0.45 0.00 0.00 54.58 54.15 1x50 n ASN 24 Cb 0.49 -3.53 -0.03 0.00 1.23 0.00 0.00 39.78 37.94 1x50 n ASN 24 CO 0.00 0.00 0.00 -2.16 -3.05 0.00 0.00 177.26 172.05 1x50 s PRO 25 N -4.73 4.37 1.06 1.20 0.04 -1.26 -5.03 135.00 130.65 1x50 s PRO 25 Ca 0.05 2.04 -0.18 0.00 0.04 0.00 0.00 61.00 62.95 1x50 s PRO 25 Cb -0.01 -3.22 0.26 0.00 0.04 0.00 0.00 34.50 31.57 1x50 s PRO 25 CO 0.48 -0.31 0.94 -0.35 0.04 0.00 0.00 177.00 177.79 1x50 n PRO 26 N 3.15 -2.86 -3.86 0.56 -0.04 -1.26 -4.50 135.00 126.20 1x50 n PRO 26 Ca 0.08 -1.50 -0.13 0.00 -0.04 0.00 0.00 63.50 61.91 1x50 n PRO 26 Cb 0.43 -1.41 -0.14 0.00 -0.04 0.00 0.00 33.50 32.34 1x50 n PRO 26 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 1x50 s VAL 27 N -2.70 0.00 0.42 0.52 1.01 -1.26 -2.96 120.40 115.42 1x50 s VAL 27 Ca 0.61 0.04 -0.25 0.00 0.00 0.00 0.00 61.98 62.38 1x50 s VAL 27 Cb -0.06 -0.04 -0.08 0.00 0.00 0.00 0.00 36.38 36.20 1x50 s VAL 27 CO 0.47 0.02 1.18 -2.16 0.00 0.00 0.00 175.10 174.61 1x50 s PRO 28 N 0.23 3.97 -0.30 2.72 0.04 -1.26 -5.06 135.00 135.34 1x50 s PRO 28 Ca -0.02 1.86 -0.16 0.00 0.04 0.00 0.00 61.00 62.72 1x50 s PRO 28 Cb -0.03 -2.62 -0.02 0.00 0.04 0.00 0.00 34.50 31.87 1x50 s PRO 28 CO -0.01 -0.40 0.43 -0.47 0.04 0.00 0.00 177.00 176.59 1x50 s TYR 29 N -1.43 3.23 -0.51 0.56 6.14 -0.74 -4.88 117.35 119.73 1x50 s TYR 29 Ca 0.59 0.34 -0.14 0.00 0.64 0.00 0.00 57.07 58.50 1x50 s TYR 29 Cb -0.31 -2.69 0.12 0.00 0.42 0.00 0.00 41.96 39.50 1x50 s TYR 29 CO 0.39 -0.34 0.43 -0.06 0.64 0.00 0.00 175.55 176.61 1x50 s PHE 30 N 2.18 3.31 -0.36 4.97 0.08 -1.26 -1.63 117.98 125.27 1x50 s PHE 30 Ca 0.16 -1.44 -0.08 0.00 0.12 0.00 0.00 56.93 55.69 1x50 s PHE 30 Cb -0.16 -3.61 0.04 0.00 -0.57 0.00 0.00 43.02 38.72 1x50 s PHE 30 CO 0.11 -0.98 0.15 0.20 -0.10 0.00 0.00 175.22 174.60 1x50 s GLY 31 N 3.16 1.88 -0.23 4.36 0.00 0.99 -4.97 107.32 112.51 1x50 s GLY 31 Ca 0.04 -1.77 -0.29 0.00 0.00 0.00 0.00 44.72 42.70 1x50 s GLY 31 CO 0.02 0.82 1.29 0.50 0.00 0.00 0.00 173.10 175.73 1x50 s ARG 32 N 1.46 4.08 -0.91 2.90 1.81 -1.26 -0.66 118.95 126.37 1x50 s ARG 32 Ca -0.00 1.48 -0.24 0.00 -1.72 0.00 0.00 55.73 55.24 1x50 s ARG 32 Cb -0.20 -3.82 0.03 0.00 -0.45 0.00 0.00 34.95 30.51 1x50 s ARG 32 CO 0.04 -0.91 1.49 -0.51 -0.68 0.00 0.00 175.30 174.73 1x50 s LEU 33 N 3.94 3.36 -0.56 2.53 1.43 -0.39 -4.79 118.68 124.20 1x50 s LEU 33 Ca 0.56 -0.99 -0.26 0.00 -1.03 0.00 0.00 54.13 52.41 1x50 s LEU 33 Cb -0.20 -2.56 -0.05 0.00 0.03 0.00 0.00 46.19 43.41 1x50 s LEU 33 CO 0.19 -1.80 2.15 -1.10 0.23 0.00 0.00 176.35 176.02 1x50 s GLN 34 N 5.55 2.34 0.00 1.70 -1.52 -1.26 -2.32 119.66 124.15 1x50 s GLN 34 Ca 0.47 1.00 0.00 0.00 -1.95 0.00 0.00 55.36 54.88 1x50 s GLN 34 Cb -0.04 -4.50 0.00 0.00 -0.22 0.00 0.00 33.01 28.25 1x50 s GLN 34 CO -0.01 -3.05 0.00 0.41 -0.25 0.00 0.00 175.29 172.40 1x50 n GLY 35 N 5.88 4.22 0.00 3.09 0.00 -1.26 -5.04 105.19 112.09 1x50 n GLY 35 Ca 0.29 -0.87 0.00 0.00 0.00 0.00 0.00 46.02 45.44 1x50 n GLY 35 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1x50 n GLY 36 N 0.00 0.83 3.58 -0.02 0.00 -0.98 -4.88 105.19 103.72 1x50 n GLY 36 Ca 0.00 -1.83 -0.44 0.00 0.00 0.00 0.00 46.02 43.74 1x50 n GLY 36 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1x50 n LEU 37 N -0.53 3.13 -4.27 0.99 4.77 -0.69 -4.95 117.00 115.45 1x50 n LEU 37 Ca 0.00 0.27 -0.26 0.00 -0.03 0.00 0.00 56.01 56.00 1x50 n LEU 37 Cb 0.00 -1.51 -0.14 0.00 -2.33 0.00 0.00 43.42 39.44 1x50 n LEU 37 CO 0.00 -0.65 -0.53 0.42 -1.33 0.00 0.00 177.39 175.30 1x50 s THR 38 N 7.95 1.75 0.63 -5.08 -4.23 -1.26 -3.95 115.64 111.45 1x50 s THR 38 Ca 1.02 -1.32 0.22 0.00 -1.18 0.00 0.00 61.69 60.43 1x50 s THR 38 Cb -0.43 -1.53 0.27 0.00 1.34 0.00 0.00 72.50 72.16 1x50 s THR 38 CO 0.38 0.15 1.58 0.00 -0.54 0.00 0.00 174.62 176.19 1x50 h ALA 39 N 4.64 2.06 -0.73 3.99 0.00 -1.76 0.94 119.26 128.39 1x50 h ALA 39 Ca -0.44 -0.01 -0.46 0.00 0.00 0.00 0.00 54.91 54.00 1x50 h ALA 39 Cb 1.16 0.03 -0.27 0.00 0.00 0.00 0.00 17.79 18.71 1x50 h ALA 39 CO 0.43 -0.89 0.12 2.89 0.00 0.00 0.00 179.25 181.80 1x50 n ARG 40 N -3.10 2.56 -4.91 0.00 0.00 -1.26 -4.63 116.66 105.32 1x50 n ARG 40 Ca 0.07 -3.43 -0.33 0.00 -0.00 0.00 0.00 57.85 54.16 1x50 n ARG 40 Cb 0.84 -2.11 -0.13 0.00 -0.00 0.00 0.00 32.46 31.05 1x50 n ARG 40 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.63 178.13 1x50 s ARG 41 N -3.51 2.58 -0.13 2.89 3.52 0.32 -4.64 118.95 119.98 1x50 s ARG 41 Ca 0.54 -0.71 -0.03 0.00 -0.13 0.00 0.00 55.73 55.40 1x50 s ARG 41 Cb 0.45 -2.38 0.05 0.00 -1.56 0.00 0.00 34.95 31.50 1x50 s ARG 41 CO 0.02 0.57 0.03 0.99 -0.81 0.00 0.00 175.30 176.11 1x50 s THR 42 N -0.60 0.31 -0.03 4.11 2.01 -1.25 -1.69 115.64 118.50 1x50 s THR 42 Ca 0.09 -0.16 -0.18 0.00 0.31 0.00 0.00 61.69 61.75 1x50 s THR 42 Cb -0.11 -0.69 -0.05 0.00 0.01 0.00 0.00 72.50 71.65 1x50 s THR 42 CO 0.01 -0.02 0.52 -0.63 -0.69 0.00 0.00 174.62 173.81 1x50 s ILE 43 N 1.98 5.00 -0.05 1.82 1.09 0.19 -2.52 121.20 128.71 1x50 s ILE 43 Ca 0.02 1.06 0.02 0.00 -1.10 0.00 0.00 60.65 60.66 1x50 s ILE 43 Cb -0.15 -3.84 0.01 0.00 -1.06 0.00 0.00 42.46 37.42 1x50 s ILE 43 CO -0.07 0.44 -0.11 -0.63 -0.10 0.00 0.00 174.94 174.47 1x50 s ILE 44 N -0.23 0.98 -0.23 2.92 1.01 -1.19 0.42 121.20 124.87 1x50 s ILE 44 Ca 0.28 -0.42 -0.02 0.00 0.00 0.00 0.00 60.65 60.48 1x50 s ILE 44 Cb -0.17 -0.89 0.07 0.00 0.01 0.00 0.00 42.46 41.48 1x50 s ILE 44 CO 0.14 0.31 0.05 -0.63 0.00 0.00 0.00 174.94 174.81 1x50 s ILE 45 N 0.45 0.65 -0.41 2.92 1.01 0.90 -3.39 121.20 123.33 1x50 s ILE 45 Ca -0.09 -0.82 -0.13 0.00 0.00 0.00 0.00 60.65 59.61 1x50 s ILE 45 Cb -0.13 -1.24 0.04 0.00 0.01 0.00 0.00 42.46 41.14 1x50 s ILE 45 CO 0.02 -0.34 0.28 -0.54 0.00 0.00 0.00 174.94 174.36 1x50 s LYS 46 N 1.78 2.87 0.00 2.79 1.02 0.65 -2.14 119.74 126.71 1x50 s LYS 46 Ca 0.02 -1.17 0.00 0.00 0.02 0.00 0.00 55.97 54.84 1x50 s LYS 46 Cb -0.17 -3.90 0.00 0.00 -0.52 0.00 0.00 37.83 33.24 1x50 s LYS 46 CO -0.14 -0.82 0.00 0.41 -0.92 0.00 0.00 175.35 173.89 1x50 n GLY 47 N 5.08 5.28 3.63 -3.33 0.00 -1.22 -0.01 105.19 114.62 1x50 n GLY 47 Ca -0.11 -1.31 -0.05 0.00 0.00 0.00 0.00 46.02 44.54 1x50 n GLY 47 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1x50 s TYR 48 N -0.21 -1.02 -0.31 1.61 6.14 0.16 -3.01 117.35 120.70 1x50 s TYR 48 Ca 0.00 1.97 -0.29 0.00 0.64 0.00 0.00 57.07 59.39 1x50 s TYR 48 Cb 0.00 0.61 0.00 0.00 0.42 0.00 0.00 41.96 42.99 1x50 s TYR 48 CO 0.00 -0.50 1.30 0.08 0.64 0.00 0.00 175.55 177.06 1x50 s VAL 49 N 1.84 4.14 0.74 3.14 1.01 -1.04 -1.55 120.40 128.68 1x50 s VAL 49 Ca -0.09 1.27 -0.12 0.00 0.00 0.00 0.00 61.98 63.05 1x50 s VAL 49 Cb -0.06 -4.18 0.04 0.00 0.00 0.00 0.00 36.38 32.18 1x50 s VAL 49 CO -0.19 -0.51 1.10 -2.16 0.00 0.00 0.00 175.10 173.34 1x50 s PRO 50 N 4.22 2.42 0.20 2.72 0.04 -1.26 -1.32 135.00 142.02 1x50 s PRO 50 Ca 0.56 1.23 0.21 0.00 0.04 0.00 0.00 61.00 63.05 1x50 s PRO 50 Cb -0.16 -1.91 0.90 0.00 0.04 0.00 0.00 34.50 33.37 1x50 s PRO 50 CO 0.24 -1.53 1.65 -0.35 0.04 0.00 0.00 177.00 177.06 1x50 n PRO 51 N -3.19 0.15 -0.30 0.56 -0.04 -1.26 -2.27 135.00 128.66 1x50 n PRO 51 Ca 0.09 0.39 0.09 0.00 -0.04 0.00 0.00 63.50 64.03 1x50 n PRO 51 Cb 0.53 -1.79 0.21 0.00 -0.04 0.00 0.00 33.50 32.40 1x50 n PRO 51 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 1x50 n THR 52 N -2.08 2.04 -3.94 0.52 -2.24 -1.26 -4.96 114.28 102.36 1x50 n THR 52 Ca 0.02 -1.91 -0.35 0.00 -2.27 0.00 0.00 64.05 59.54 1x50 n THR 52 Cb 0.21 -0.18 -0.14 0.00 -2.10 0.00 0.00 70.33 68.12 1x50 n THR 52 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 1x50 s GLY 53 N -2.13 1.62 0.05 3.38 0.00 -0.96 -5.01 107.32 104.27 1x50 s GLY 53 Ca 0.36 -1.38 -0.32 0.00 0.00 0.00 0.00 44.72 43.39 1x50 s GLY 53 CO 0.07 0.50 1.50 0.50 0.00 0.00 0.00 173.10 175.66 1x50 h LYS 54 N 8.05 -0.91 -1.51 2.90 1.57 -1.87 -3.44 116.57 121.36 1x50 h LYS 54 Ca -0.35 0.06 0.25 0.00 -1.87 0.00 0.00 60.65 58.74 1x50 h LYS 54 Cb 1.12 0.21 -0.18 0.00 0.08 0.00 0.00 32.23 33.46 1x50 h LYS 54 CO 0.59 -0.59 0.80 -1.54 -0.57 0.00 0.00 179.45 178.14 1x50 s SER 55 N -4.41 -0.14 0.24 0.86 1.04 -1.26 -4.27 113.70 105.77 1x50 s SER 55 Ca -0.17 -0.01 0.01 0.00 0.48 0.00 0.00 55.95 56.26 1x50 s SER 55 Cb 0.03 0.16 0.01 0.00 0.10 0.00 0.00 66.02 66.31 1x50 s SER 55 CO 0.58 -0.26 0.08 2.22 0.98 0.00 0.00 173.24 176.85 1x50 n PHE 56 N -0.12 -0.19 -3.66 5.02 -1.74 -1.25 -1.38 117.46 114.13 1x50 n PHE 56 Ca -0.00 -1.11 -0.09 0.00 -0.56 0.00 0.00 57.45 55.69 1x50 n PHE 56 Cb 0.59 -0.18 -0.09 0.00 1.52 0.00 0.00 39.48 41.32 1x50 n PHE 56 CO 0.00 0.00 0.00 0.00 -0.56 0.00 0.00 176.76 176.20 1x50 s ALA 57 N -2.38 -1.54 -0.36 1.98 0.00 0.44 -3.74 121.76 116.17 1x50 s ALA 57 Ca 0.06 2.05 -0.02 0.00 0.00 0.00 0.00 51.96 54.05 1x50 s ALA 57 Cb -0.01 -1.22 0.09 0.00 0.00 0.00 0.00 23.12 21.99 1x50 s ALA 57 CO 0.04 -0.33 0.11 0.42 0.00 0.00 0.00 175.76 176.00 1x50 s ILE 58 N 1.50 3.06 -0.00 0.00 1.09 0.32 -1.46 121.20 125.71 1x50 s ILE 58 Ca -0.10 -1.85 -0.02 0.00 -1.10 0.00 0.00 60.65 57.58 1x50 s ILE 58 Cb -0.06 -2.99 -0.04 0.00 -1.06 0.00 0.00 42.46 38.30 1x50 s ILE 58 CO -0.16 -0.47 0.15 0.20 -0.10 0.00 0.00 174.94 174.55 1x50 s ASN 59 N 1.50 6.14 -0.36 3.58 0.01 -0.82 -2.12 114.94 122.87 1x50 s ASN 59 Ca 0.04 0.27 0.02 0.00 -0.71 0.00 0.00 52.86 52.49 1x50 s ASN 59 Cb -0.21 -1.88 0.10 0.00 0.41 0.00 0.00 41.25 39.68 1x50 s ASN 59 CO -0.04 0.26 0.09 -0.36 -1.51 0.00 0.00 177.10 175.55 1x50 s PHE 60 N -1.30 3.71 0.46 2.20 0.40 0.48 -1.71 117.98 122.22 1x50 s PHE 60 Ca 0.26 -2.88 0.05 0.00 -0.60 0.00 0.00 56.93 53.77 1x50 s PHE 60 Cb -0.12 -3.00 0.02 0.00 0.51 0.00 0.00 43.02 40.42 1x50 s PHE 60 CO 0.18 -0.95 0.63 0.21 0.70 0.00 0.00 175.22 175.99 1x50 s LYS 61 N 0.92 2.78 -0.27 0.44 2.20 0.02 -0.88 119.74 124.96 1x50 s LYS 61 Ca 0.11 -1.03 -0.10 0.00 -0.36 0.00 0.00 55.97 54.58 1x50 s LYS 61 Cb -0.20 -2.67 -0.05 0.00 -1.51 0.00 0.00 37.83 33.41 1x50 s LYS 61 CO -0.07 -0.38 0.16 0.08 -0.36 0.00 0.00 175.35 174.78 1x50 s VAL 62 N -2.48 5.11 0.28 4.02 1.01 -0.49 -1.13 120.40 126.73 1x50 s VAL 62 Ca 0.54 0.10 -0.00 0.00 0.00 0.00 0.00 61.98 62.62 1x50 s VAL 62 Cb -0.10 -3.42 0.28 0.00 0.00 0.00 0.00 36.38 33.13 1x50 s VAL 62 CO 0.35 0.28 1.88 1.23 0.00 0.00 0.00 175.10 178.83 1x50 h GLY 63 N 8.28 1.51 0.00 4.51 0.00 -1.77 0.20 103.07 115.79 1x50 h GLY 63 Ca -0.36 -0.45 0.00 0.00 0.00 0.00 0.00 47.33 46.53 1x50 h GLY 63 CO 0.56 0.28 0.00 1.44 0.00 0.00 0.00 176.54 178.82 1x50 n SER 64 N -4.53 0.00 0.00 0.19 7.64 -1.26 -4.58 113.62 111.08 1x50 n SER 64 Ca 0.16 0.83 0.00 0.00 1.01 0.00 0.00 58.87 60.87 1x50 n SER 64 Cb 0.24 -0.38 0.00 0.00 -1.01 0.00 0.00 64.21 63.06 1x50 n SER 64 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 1x50 n SER 65 N -1.65 0.00 0.00 6.43 3.41 -1.21 -5.05 113.62 115.55 1x50 n SER 65 Ca 0.00 0.49 0.00 0.00 -0.26 0.00 0.00 58.87 59.10 1x50 n SER 65 Cb 0.00 -0.49 0.00 0.00 -0.26 0.00 0.00 64.21 63.46 1x50 n SER 65 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1x50 n GLY 66 N 2.01 0.64 3.40 5.00 0.00 0.70 -4.97 105.19 111.97 1x50 n GLY 66 Ca 0.00 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.71 1x50 n GLY 66 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1x50 s ASP 67 N -0.73 3.55 -0.43 1.61 1.01 -1.26 -4.71 116.67 115.71 1x50 s ASP 67 Ca 0.00 -0.42 -0.25 0.00 0.71 0.00 0.00 52.55 52.60 1x50 s ASP 67 Cb 0.00 -0.54 0.02 0.00 1.01 0.00 0.00 42.92 43.42 1x50 s ASP 67 CO 0.00 0.29 0.87 -0.63 0.21 0.00 0.00 175.17 175.91 1x50 s ILE 68 N -0.78 4.57 0.07 0.77 1.01 0.92 -1.40 121.20 126.35 1x50 s ILE 68 Ca 0.12 0.74 0.05 0.00 0.00 0.00 0.00 60.65 61.57 1x50 s ILE 68 Cb -0.10 -4.36 -0.23 0.00 0.01 0.00 0.00 42.46 37.77 1x50 s ILE 68 CO 0.02 -0.71 1.11 0.00 0.00 0.00 0.00 174.94 175.36 1x50 h ALA 69 N 8.89 0.38 -3.39 9.38 0.00 -1.23 -1.27 119.26 132.03 1x50 h ALA 69 Ca -0.24 -1.03 -0.25 0.00 0.00 0.00 0.00 54.91 53.39 1x50 h ALA 69 Cb 1.08 0.02 -0.31 0.00 0.00 0.00 0.00 17.79 18.58 1x50 h ALA 69 CO 0.99 1.26 -0.64 -1.17 0.00 0.00 0.00 179.25 179.70 1x50 s LEU 70 N -6.69 1.04 -0.31 0.00 2.96 -1.24 -4.58 118.68 109.86 1x50 s LEU 70 Ca -0.02 0.20 -0.02 0.00 -0.22 0.00 0.00 54.13 54.08 1x50 s LEU 70 Cb 0.09 0.24 0.10 0.00 0.50 0.00 0.00 46.19 47.12 1x50 s LEU 70 CO 0.83 -0.12 0.12 -2.28 -1.32 0.00 0.00 176.35 173.59 1x50 s HIS 71 N 0.88 1.24 -0.16 5.38 5.65 0.48 -0.39 115.29 128.36 1x50 s HIS 71 Ca -0.07 -1.51 -0.08 0.00 0.25 0.00 0.00 55.06 53.66 1x50 s HIS 71 Cb -0.09 -1.43 -0.04 0.00 -1.18 0.00 0.00 32.58 29.84 1x50 s HIS 71 CO -0.04 -0.85 0.10 0.42 -0.65 0.00 0.00 174.74 173.72 1x50 s ILE 72 N 1.66 5.15 -0.21 0.89 1.01 -0.90 -0.41 121.20 128.39 1x50 s ILE 72 Ca 0.11 0.09 -0.04 0.00 0.00 0.00 0.00 60.65 60.80 1x50 s ILE 72 Cb -0.18 -3.30 0.08 0.00 0.01 0.00 0.00 42.46 39.08 1x50 s ILE 72 CO -0.26 0.51 0.13 0.21 0.00 0.00 0.00 174.94 175.53 1x50 s ASN 73 N -0.12 2.49 0.67 3.58 3.04 -0.61 -0.52 114.94 123.46 1x50 s ASN 73 Ca 0.09 -0.75 -0.15 0.00 0.04 0.00 0.00 52.86 52.10 1x50 s ASN 73 Cb -0.12 -0.14 0.00 0.00 -1.54 0.00 0.00 41.25 39.45 1x50 s ASN 73 CO 0.01 -0.37 1.11 -2.16 -3.04 0.00 0.00 177.10 172.64 1x50 s PRO 74 N 2.17 2.77 -0.35 0.43 0.04 -1.25 -2.41 135.00 136.40 1x50 s PRO 74 Ca 0.05 1.38 -0.00 0.00 0.04 0.00 0.00 61.00 62.47 1x50 s PRO 74 Cb -0.16 -1.95 0.11 0.00 0.04 0.00 0.00 34.50 32.55 1x50 s PRO 74 CO -0.18 -1.27 0.14 1.03 0.04 0.00 0.00 177.00 176.76 1x50 s ARG 75 N -4.14 0.82 1.12 4.56 0.52 -1.19 -4.45 118.95 116.18 1x50 s ARG 75 Ca 0.67 -1.31 -0.16 0.00 -0.52 0.00 0.00 55.73 54.41 1x50 s ARG 75 Cb -0.20 -1.98 0.17 0.00 0.52 0.00 0.00 34.95 33.45 1x50 s ARG 75 CO 0.42 -1.05 0.47 -1.33 0.02 0.00 0.00 175.30 173.83 1x50 n MET 76 N 4.46 -1.77 0.00 3.54 2.81 -1.26 -1.65 117.12 123.25 1x50 n MET 76 Ca 0.02 -0.49 0.00 0.00 -1.81 0.00 0.00 57.70 55.42 1x50 n MET 76 Cb 0.40 -1.92 0.00 0.00 -0.71 0.00 0.00 33.22 30.99 1x50 n MET 76 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1x50 n GLY 77 N 1.52 1.14 0.34 3.03 0.00 -1.26 -4.17 105.19 105.80 1x50 n GLY 77 Ca 0.03 0.12 -0.13 0.00 0.00 0.00 0.00 46.02 46.03 1x50 n GLY 77 CO 0.00 0.00 0.00 -0.57 0.00 0.00 0.00 173.32 172.75 1x50 h ASN 78 N 0.00 -0.79 0.00 1.61 -1.24 -1.99 -3.48 115.58 109.69 1x50 h ASN 78 Ca 0.00 0.04 0.00 0.00 0.71 0.00 0.00 56.30 57.05 1x50 h ASN 78 Cb 0.00 0.22 0.00 0.00 0.73 0.00 0.00 38.32 39.27 1x50 h ASN 78 CO 0.00 -0.51 0.00 0.61 -1.29 0.00 0.00 177.43 176.24 1x50 n GLY 79 N -1.42 1.02 2.78 1.57 0.00 -0.66 -5.08 105.19 103.38 1x50 n GLY 79 Ca -0.10 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.68 1x50 n GLY 79 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1x50 s THR 80 N -2.00 0.47 -0.37 2.61 -4.23 -1.24 -4.76 115.64 106.12 1x50 s THR 80 Ca 0.00 -0.04 -0.13 0.00 -1.18 0.00 0.00 61.69 60.34 1x50 s THR 80 Cb 0.00 -0.67 0.00 0.00 1.34 0.00 0.00 72.50 73.17 1x50 s THR 80 CO 0.00 0.19 0.25 -0.69 -0.54 0.00 0.00 174.62 173.83 1x50 s VAL 81 N 1.93 5.13 0.29 2.29 1.01 -1.26 -3.18 120.40 126.61 1x50 s VAL 81 Ca 0.04 -0.47 -0.23 0.00 0.00 0.00 0.00 61.98 61.32 1x50 s VAL 81 Cb -0.13 -3.74 -0.09 0.00 0.00 0.00 0.00 36.38 32.42 1x50 s VAL 81 CO -0.06 -0.14 0.86 -0.69 0.00 0.00 0.00 175.10 175.07 1x50 s VAL 82 N 1.68 4.37 -0.08 2.92 1.01 -1.01 -4.31 120.40 124.97 1x50 s VAL 82 Ca 0.05 1.58 0.01 0.00 0.00 0.00 0.00 61.98 63.63 1x50 s VAL 82 Cb -0.18 -3.92 0.02 0.00 0.00 0.00 0.00 36.38 32.29 1x50 s VAL 82 CO 0.09 0.14 -0.10 -0.13 0.00 0.00 0.00 175.10 175.10 1x50 s ARG 83 N -2.10 1.57 0.26 2.72 3.00 0.55 -1.57 118.95 123.38 1x50 s ARG 83 Ca 0.48 -0.33 0.05 0.00 0.00 0.00 0.00 55.73 55.93 1x50 s ARG 83 Cb -0.17 -1.42 -0.02 0.00 0.00 0.00 0.00 34.95 33.34 1x50 s ARG 83 CO 0.22 -0.08 0.18 0.09 0.00 0.00 0.00 175.30 175.70 1x50 n ASN 84 N 4.21 0.00 -3.18 0.23 4.13 0.46 -0.36 115.26 120.75 1x50 n ASN 84 Ca -0.20 -2.60 0.02 0.00 1.68 0.00 0.00 54.58 53.48 1x50 n ASN 84 Cb 0.51 1.08 -0.02 0.00 -1.54 0.00 0.00 39.78 39.81 1x50 n ASN 84 CO 0.00 0.00 0.00 -0.55 0.28 0.00 0.00 177.26 176.99 1x50 s SER 85 N -2.75 -1.21 -0.29 6.41 0.15 -1.26 0.18 113.70 114.93 1x50 s SER 85 Ca 0.25 0.46 -0.29 0.00 0.70 0.00 0.00 55.95 57.06 1x50 s SER 85 Cb 0.01 1.95 0.00 0.00 -1.71 0.00 0.00 66.02 66.27 1x50 s SER 85 CO 0.18 -0.29 1.24 -0.22 1.20 0.00 0.00 173.24 175.35 1x50 s LEU 86 N 2.80 3.92 0.40 3.45 2.96 -0.48 -0.52 118.68 131.21 1x50 s LEU 86 Ca 0.15 1.21 0.00 0.00 -0.22 0.00 0.00 54.13 55.28 1x50 s LEU 86 Cb -0.13 -3.54 -0.02 0.00 0.50 0.00 0.00 46.19 43.00 1x50 s LEU 86 CO -0.23 -1.00 0.62 -0.76 -1.32 0.00 0.00 176.35 173.66 1x50 s LEU 87 N 4.10 3.81 -0.86 -0.68 1.43 0.70 -0.06 118.68 127.12 1x50 s LEU 87 Ca 0.53 0.36 -0.33 0.00 -1.03 0.00 0.00 54.13 53.66 1x50 s LEU 87 Cb -0.16 -3.24 -0.20 0.00 0.03 0.00 0.00 46.19 42.62 1x50 s LEU 87 CO 0.20 -0.52 2.57 0.59 0.23 0.00 0.00 176.35 179.42 1x50 n ASN 88 N -1.95 0.52 0.00 2.29 3.02 -1.26 0.20 115.26 118.08 1x50 n ASN 88 Ca -0.01 0.25 0.00 0.00 -0.03 0.00 0.00 54.58 54.78 1x50 n ASN 88 Cb 0.57 -0.96 0.00 0.00 -0.61 0.00 0.00 39.78 38.78 1x50 n ASN 88 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1x50 n GLY 89 N 6.67 0.24 3.50 7.41 0.00 -1.26 -4.91 105.19 116.84 1x50 n GLY 89 Ca 0.62 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 46.40 1x50 n GLY 89 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1x50 s SER 90 N -2.23 2.76 0.20 1.61 0.15 0.53 -5.17 113.70 111.55 1x50 s SER 90 Ca 0.00 -1.42 0.06 0.00 0.70 0.00 0.00 55.95 55.30 1x50 s SER 90 Cb 0.00 -0.05 -0.05 0.00 -1.71 0.00 0.00 66.02 64.21 1x50 s SER 90 CO 0.00 -0.62 -0.12 0.26 1.20 0.00 0.00 173.24 173.96 1x50 s TRP 91 N -3.16 1.59 0.00 3.44 0.52 -1.26 0.25 118.94 120.31 1x50 s TRP 91 Ca 0.34 -0.66 0.00 0.00 0.02 0.00 0.00 56.10 55.80 1x50 s TRP 91 Cb 0.08 -0.78 0.00 0.00 -1.15 0.00 0.00 33.47 31.62 1x50 s TRP 91 CO 0.15 0.25 0.00 0.41 0.02 0.00 0.00 176.95 177.78 1x50 n GLY 92 N -0.34 0.79 3.70 0.98 0.00 0.32 -4.72 105.19 105.91 1x50 n GLY 92 Ca -0.08 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.84 1x50 n GLY 92 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1x50 s SER 93 N -1.00 0.11 -0.24 1.61 0.01 -1.26 -4.95 113.70 107.97 1x50 s SER 93 Ca 0.00 -1.04 -0.10 0.00 1.31 0.00 0.00 55.95 56.12 1x50 s SER 93 Cb 0.00 0.72 -0.05 0.00 0.21 0.00 0.00 66.02 66.90 1x50 s SER 93 CO 0.00 -1.40 0.16 -1.61 0.41 0.00 0.00 173.24 170.80 1x50 s GLU 94 N -3.25 4.07 -0.17 12.44 2.02 -1.26 -3.82 118.70 128.73 1x50 s GLU 94 Ca 0.19 -0.27 0.01 0.00 0.02 0.00 0.00 54.97 54.93 1x50 s GLU 94 Cb -0.03 -3.54 0.02 0.00 0.10 0.00 0.00 34.13 30.68 1x50 s GLU 94 CO 0.12 0.07 -0.20 -1.21 0.02 0.00 0.00 175.26 174.05 1x50 s GLU 95 N 1.04 2.97 -0.14 1.61 0.41 0.51 -4.88 118.70 120.22 1x50 s GLU 95 Ca 0.08 -0.83 -0.00 0.00 -0.41 0.00 0.00 54.97 53.81 1x50 s GLU 95 Cb -0.13 -2.52 0.03 0.00 -1.78 0.00 0.00 34.13 29.72 1x50 s GLU 95 CO 0.04 -0.16 -0.09 0.15 -0.49 0.00 0.00 175.26 174.71 1x50 s LYS 96 N 1.18 1.77 -0.30 1.61 1.02 -1.26 -0.33 119.74 123.43 1x50 s LYS 96 Ca 0.02 -0.44 -0.10 0.00 0.02 0.00 0.00 55.97 55.47 1x50 s LYS 96 Cb -0.14 -1.89 0.18 0.00 -0.52 0.00 0.00 37.83 35.47 1x50 s LYS 96 CO -0.10 -0.31 0.95 0.21 -0.92 0.00 0.00 175.35 175.18 1x50 s LYS 97 N 1.60 0.26 0.03 1.68 2.20 -1.26 -5.06 119.74 119.19 1x50 s LYS 97 Ca 0.04 0.41 -0.08 0.00 -0.36 0.00 0.00 55.97 55.97 1x50 s LYS 97 Cb -0.13 0.22 0.00 0.00 -1.51 0.00 0.00 37.83 36.41 1x50 s LYS 97 CO -0.09 -0.33 0.16 -1.50 -0.36 0.00 0.00 175.35 173.23 1x50 s ILE 98 N 2.93 0.11 -0.20 5.43 2.07 -1.26 -4.64 121.20 125.64 1x50 s ILE 98 Ca 0.08 -0.88 0.06 0.00 -1.41 0.00 0.00 60.65 58.50 1x50 s ILE 98 Cb -0.09 -0.77 -0.21 0.00 0.13 0.00 0.00 42.46 41.51 1x50 s ILE 98 CO -0.16 -0.48 0.04 1.07 -1.91 0.00 0.00 174.94 173.50 1x50 n THR 99 N 0.92 1.52 -3.70 4.00 5.66 -1.25 -4.96 114.28 116.47 1x50 n THR 99 Ca -0.20 -0.69 -0.11 0.00 -3.05 0.00 0.00 64.05 60.00 1x50 n THR 99 Cb 0.58 -1.16 -0.12 0.00 -1.55 0.00 0.00 70.33 68.08 1x50 n THR 99 CO 0.00 0.00 0.00 -1.38 -3.05 0.00 0.00 175.07 170.64 1x50 s HIS 100 N -2.53 -0.48 -0.60 1.09 -3.43 -1.26 -5.11 115.29 102.97 1x50 s HIS 100 Ca -0.23 1.05 -0.13 0.00 -0.80 0.00 0.00 55.06 54.96 1x50 s HIS 100 Cb 0.08 0.14 0.15 0.00 -1.43 0.00 0.00 32.58 31.52 1x50 s HIS 100 CO 0.71 -0.31 0.52 1.21 -2.00 0.00 0.00 174.74 174.88 1x50 s ASN 101 N 1.54 6.13 0.09 7.38 3.84 -1.26 -4.91 114.94 127.76 1x50 s ASN 101 Ca -0.08 -2.14 -0.15 0.00 0.21 0.00 0.00 52.86 50.70 1x50 s ASN 101 Cb -0.10 -2.13 -0.09 0.00 -0.55 0.00 0.00 41.25 38.38 1x50 s ASN 101 CO -0.10 -0.70 1.41 1.55 -2.79 0.00 0.00 177.10 176.47 1x50 h PRO 102 N 8.33 0.67 -4.92 0.43 0.13 -1.99 -3.44 132.00 131.21 1x50 h PRO 102 Ca -0.15 -0.35 -0.57 0.00 -0.87 0.00 0.00 66.00 64.06 1x50 h PRO 102 Cb 1.07 0.01 -0.06 0.00 0.13 0.00 0.00 31.00 32.15 1x50 h PRO 102 CO 0.89 0.96 1.37 1.19 -0.23 0.00 0.00 178.00 182.18 1x50 n PHE 103 N -4.30 0.77 -4.35 1.56 3.72 -1.26 -4.88 117.46 108.72 1x50 n PHE 103 Ca -0.04 0.52 -0.19 0.00 -0.05 0.00 0.00 57.45 57.69 1x50 n PHE 103 Cb 0.46 -2.08 -0.15 0.00 -0.94 0.00 0.00 39.48 36.77 1x50 n PHE 103 CO 0.00 0.00 0.00 0.20 -0.05 0.00 0.00 176.76 176.91 1x50 s GLY 104 N 6.65 0.44 -0.50 1.37 0.00 -1.26 -4.69 107.32 109.33 1x50 s GLY 104 Ca 1.14 -0.36 -0.27 0.00 0.00 0.00 0.00 44.72 45.23 1x50 s GLY 104 CO 0.51 -0.26 1.79 2.56 0.00 0.00 0.00 173.10 177.70 1x50 s PRO 105 N -0.13 2.96 0.00 2.90 0.04 -1.26 -2.38 135.00 137.12 1x50 s PRO 105 Ca 0.02 0.90 0.00 0.00 0.04 0.00 0.00 61.00 61.96 1x50 s PRO 105 Cb -0.04 -4.29 0.00 0.00 0.04 0.00 0.00 34.50 30.21 1x50 s PRO 105 CO -0.00 -2.33 0.00 0.41 0.04 0.00 0.00 177.00 175.12 1x50 n GLY 106 N 5.54 1.13 3.36 0.56 0.00 -0.43 -4.76 105.19 110.59 1x50 n GLY 106 Ca 0.21 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 46.04 1x50 n GLY 106 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1x50 s GLN 107 N 0.00 1.47 0.64 1.61 1.03 -1.00 -4.99 119.66 118.42 1x50 s GLN 107 Ca 0.00 -1.79 -0.01 0.00 0.04 0.00 0.00 55.36 53.60 1x50 s GLN 107 Cb 0.00 -0.57 0.07 0.00 0.03 0.00 0.00 33.01 32.55 1x50 s GLN 107 CO 0.00 -0.20 0.91 -0.59 -2.54 0.00 0.00 175.29 172.86 1x50 s PHE 108 N -3.51 2.45 -0.26 9.60 -0.12 -1.26 -2.49 117.98 122.40 1x50 s PHE 108 Ca 0.35 0.01 -0.14 0.00 -0.05 0.00 0.00 56.93 57.09 1x50 s PHE 108 Cb 0.08 -2.95 0.08 0.00 -0.63 0.00 0.00 43.02 39.59 1x50 s PHE 108 CO 0.13 -1.29 0.63 -0.59 -0.05 0.00 0.00 175.22 174.05 1x50 s PHE 109 N -3.01 -1.00 -0.52 3.49 -0.71 -1.17 -4.81 117.98 110.26 1x50 s PHE 109 Ca 0.61 1.99 -0.16 0.00 -1.04 0.00 0.00 56.93 58.33 1x50 s PHE 109 Cb -0.09 0.58 0.10 0.00 -1.21 0.00 0.00 43.02 42.40 1x50 s PHE 109 CO 0.42 -0.50 0.50 0.34 -1.34 0.00 0.00 175.22 174.64 1x50 s ASP 110 N 1.69 6.18 -0.14 1.98 2.15 -1.26 -3.44 116.67 123.83 1x50 s ASP 110 Ca -0.10 -1.52 -0.08 0.00 0.43 0.00 0.00 52.55 51.29 1x50 s ASP 110 Cb -0.06 -2.22 -0.04 0.00 -0.30 0.00 0.00 42.92 40.30 1x50 s ASP 110 CO -0.19 -0.82 0.14 -0.22 -0.17 0.00 0.00 175.17 173.91 1x50 s LEU 111 N 1.84 4.35 -0.19 -1.34 1.98 -0.91 -0.79 118.68 123.61 1x50 s LEU 111 Ca 0.05 0.42 -0.04 0.00 -2.89 0.00 0.00 54.13 51.68 1x50 s LEU 111 Cb -0.26 -2.09 0.09 0.00 0.66 0.00 0.00 46.19 44.59 1x50 s LEU 111 CO 0.05 0.35 0.22 -0.44 -1.89 0.00 0.00 176.35 174.64 1x50 s SER 112 N -0.68 1.24 -0.25 3.68 0.01 -0.17 -0.07 113.70 117.45 1x50 s SER 112 Ca 0.13 -0.11 -0.16 0.00 1.31 0.00 0.00 55.95 57.13 1x50 s SER 112 Cb -0.12 0.40 -0.04 0.00 0.21 0.00 0.00 66.02 66.47 1x50 s SER 112 CO 0.03 -0.31 0.41 -0.63 0.41 0.00 0.00 173.24 173.14 1x50 s ILE 113 N 2.33 5.16 -0.25 1.44 1.09 0.17 0.03 121.20 131.17 1x50 s ILE 113 Ca 0.06 0.66 -0.11 0.00 -1.10 0.00 0.00 60.65 60.16 1x50 s ILE 113 Cb -0.15 -3.73 -0.05 0.00 -1.06 0.00 0.00 42.46 37.47 1x50 s ILE 113 CO -0.11 0.16 0.19 -0.13 -0.10 0.00 0.00 174.94 174.94 1x50 s ARG 114 N 1.97 4.05 -0.15 2.79 3.00 0.12 0.54 118.95 131.27 1x50 s ARG 114 Ca 0.17 -0.24 -0.20 0.00 0.00 0.00 0.00 55.73 55.46 1x50 s ARG 114 Cb -0.16 -3.57 -0.03 0.00 0.00 0.00 0.00 34.95 31.20 1x50 s ARG 114 CO 0.09 -0.00 0.57 0.00 0.00 0.00 0.00 175.30 175.96 1x50 n GLY 116 N 3.54 5.18 0.05 0.00 0.00 -1.21 -4.22 105.19 108.54 1x50 n GLY 116 Ca -0.04 -1.71 -0.07 0.00 0.00 0.00 0.00 46.02 44.20 1x50 n GLY 116 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1x50 n LEU 117 N 0.00 2.91 0.01 0.99 4.77 -1.26 -4.39 117.00 120.03 1x50 n LEU 117 Ca 0.00 -0.06 -0.15 0.00 -0.03 0.00 0.00 56.01 55.78 1x50 n LEU 117 Cb 0.00 -0.36 -0.14 0.00 -2.33 0.00 0.00 43.42 40.59 1x50 n LEU 117 CO 0.00 0.67 -0.57 -0.78 -1.33 0.00 0.00 177.39 175.38 1x50 h ASP 118 N 0.00 0.22 -5.37 -1.43 3.58 -1.99 -3.49 116.42 107.95 1x50 h ASP 118 Ca -0.24 -0.45 0.26 0.00 0.42 0.00 0.00 57.03 57.03 1x50 h ASP 118 Cb 1.37 -0.07 -0.12 0.00 1.72 0.00 0.00 39.33 42.23 1x50 h ASP 118 CO -0.04 1.39 0.72 0.00 -2.88 0.00 0.00 179.24 178.44 1x50 s ARG 119 N -2.59 0.61 0.35 0.28 1.70 -1.26 -4.25 118.95 113.78 1x50 s ARG 119 Ca -0.12 -0.32 -0.01 0.00 -0.47 0.00 0.00 55.73 54.81 1x50 s ARG 119 Cb 0.07 0.22 -0.04 0.00 -0.57 0.00 0.00 34.95 34.64 1x50 s ARG 119 CO 0.81 -0.28 0.57 -0.06 -1.08 0.00 0.00 175.30 175.27 1x50 s PHE 120 N -2.68 3.50 -0.27 5.89 0.40 -0.98 -3.36 117.98 120.48 1x50 s PHE 120 Ca 0.12 0.46 -0.01 0.00 -0.60 0.00 0.00 56.93 56.91 1x50 s PHE 120 Cb 0.02 -1.98 0.08 0.00 0.51 0.00 0.00 43.02 41.65 1x50 s PHE 120 CO -0.03 0.09 0.05 0.15 0.70 0.00 0.00 175.22 176.18 1x50 s LYS 121 N -4.17 0.93 -0.46 0.44 1.02 0.50 -2.87 119.74 115.13 1x50 s LYS 121 Ca 0.42 -0.93 -0.20 0.00 0.02 0.00 0.00 55.97 55.28 1x50 s LYS 121 Cb -0.10 -2.22 0.03 0.00 -0.52 0.00 0.00 37.83 35.03 1x50 s LYS 121 CO 0.36 -0.81 0.60 0.08 -0.92 0.00 0.00 175.35 174.66 1x50 s VAL 122 N 1.59 4.88 0.09 3.17 1.01 -0.70 0.11 120.40 130.55 1x50 s VAL 122 Ca 0.04 -0.17 -0.05 0.00 0.00 0.00 0.00 61.98 61.80 1x50 s VAL 122 Cb -0.18 -4.21 -0.05 0.00 0.00 0.00 0.00 36.38 31.94 1x50 s VAL 122 CO -0.16 -0.64 0.33 -0.31 0.00 0.00 0.00 175.10 174.32 1x50 s TYR 123 N 2.66 3.52 -0.30 5.22 1.51 0.10 -0.53 117.35 129.53 1x50 s TYR 123 Ca 0.18 0.55 0.01 0.00 -1.01 0.00 0.00 57.07 56.80 1x50 s TYR 123 Cb -0.16 -1.99 0.09 0.00 -0.11 0.00 0.00 41.96 39.79 1x50 s TYR 123 CO 0.16 0.51 0.06 0.00 -1.11 0.00 0.00 175.55 175.17 1x50 s ALA 124 N -1.51 1.99 -1.46 3.71 0.00 0.96 -1.00 121.76 124.44 1x50 s ALA 124 Ca 0.35 -1.83 -0.08 0.00 0.00 0.00 0.00 51.96 50.40 1x50 s ALA 124 Cb -0.13 -1.67 0.03 0.00 0.00 0.00 0.00 23.12 21.35 1x50 s ALA 124 CO 0.22 -1.57 0.84 0.09 0.00 0.00 0.00 175.76 175.34 1x50 n ASN 125 N 4.65 -5.65 -0.16 0.00 3.02 0.03 -1.99 115.26 115.16 1x50 n ASN 125 Ca -0.02 -0.48 0.00 0.00 -0.03 0.00 0.00 54.58 54.05 1x50 n ASN 125 Cb 0.43 -4.52 0.00 0.00 -0.61 0.00 0.00 39.78 35.08 1x50 n ASN 125 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1x50 n GLY 126 N -1.66 0.65 2.82 7.41 0.00 -1.26 -5.06 105.19 108.08 1x50 n GLY 126 Ca -0.03 -0.76 -0.17 0.00 0.00 0.00 0.00 46.02 45.06 1x50 n GLY 126 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1x50 s GLN 127 N -4.08 0.02 -0.67 1.61 -0.21 -0.84 -5.09 119.66 110.40 1x50 s GLN 127 Ca 0.00 0.52 -0.28 0.00 0.02 0.00 0.00 55.36 55.63 1x50 s GLN 127 Cb 0.00 -0.30 -0.12 0.00 1.00 0.00 0.00 33.01 33.59 1x50 s GLN 127 CO 0.00 -0.30 2.51 1.58 -2.12 0.00 0.00 175.29 176.96 1x50 n HIS 128 N 5.25 1.13 0.06 0.91 -0.00 -1.26 -0.03 115.22 121.28 1x50 n HIS 128 Ca -0.06 0.21 -0.03 0.00 -0.00 0.00 0.00 57.72 57.84 1x50 n HIS 128 Cb 0.50 -2.54 -0.01 0.00 -0.00 0.00 0.00 29.99 27.93 1x50 n HIS 128 CO 0.00 0.00 0.00 1.25 -0.00 0.00 0.00 176.34 177.59 1x50 h LEU 129 N 17.12 -0.15 -7.95 0.27 5.85 -1.13 -3.44 115.31 125.89 1x50 h LEU 129 Ca -0.17 0.01 0.06 0.00 0.84 0.00 0.00 57.88 58.62 1x50 h LEU 129 Cb 1.28 0.04 -0.03 0.00 0.37 0.00 0.00 40.66 42.32 1x50 h LEU 129 CO 1.24 -0.04 0.35 0.72 -0.34 0.00 0.00 178.44 180.36 1x50 s PHE 130 N -2.46 0.00 0.13 1.25 -0.12 -1.11 -3.90 117.98 111.78 1x50 s PHE 130 Ca -0.03 -0.53 0.11 0.00 -0.05 0.00 0.00 56.93 56.44 1x50 s PHE 130 Cb 0.00 0.76 -0.04 0.00 -0.63 0.00 0.00 43.02 43.11 1x50 s PHE 130 CO 0.08 -1.27 -0.27 -0.51 -0.05 0.00 0.00 175.22 173.20 1x50 s ASP 131 N -3.08 3.29 -0.31 1.98 1.01 -1.26 -1.72 116.67 116.58 1x50 s ASP 131 Ca 0.15 -0.75 -0.01 0.00 0.71 0.00 0.00 52.55 52.65 1x50 s ASP 131 Cb -0.04 -0.22 0.06 0.00 1.01 0.00 0.00 42.92 43.73 1x50 s ASP 131 CO 0.08 0.17 0.01 0.12 0.21 0.00 0.00 175.17 175.76 1x50 s PHE 132 N -1.09 3.35 0.21 4.23 5.36 -1.14 -4.95 117.98 123.95 1x50 s PHE 132 Ca 0.14 -2.12 -0.31 0.00 -0.96 0.00 0.00 56.93 53.68 1x50 s PHE 132 Cb -0.10 -2.30 -0.11 0.00 -0.34 0.00 0.00 43.02 40.18 1x50 s PHE 132 CO 0.06 -0.85 1.57 0.00 -1.46 0.00 0.00 175.22 174.54 1x50 s ALA 133 N 1.18 3.77 -0.45 11.12 0.00 -1.26 -2.33 121.76 133.79 1x50 s ALA 133 Ca -0.03 1.43 -0.27 0.00 0.00 0.00 0.00 51.96 53.10 1x50 s ALA 133 Cb -0.20 -3.63 -0.05 0.00 0.00 0.00 0.00 23.12 19.24 1x50 s ALA 133 CO -0.03 -0.83 2.24 -1.01 0.00 0.00 0.00 175.76 176.14 1x50 s HIS 134 N 0.73 1.24 -0.17 0.00 0.09 -1.26 -4.79 115.29 111.12 1x50 s HIS 134 Ca 0.68 1.20 -0.16 0.00 -0.00 0.00 0.00 55.06 56.77 1x50 s HIS 134 Cb -0.45 -3.76 -0.23 0.00 -0.00 0.00 0.00 32.58 28.14 1x50 s HIS 134 CO 0.36 -2.78 0.32 0.00 -0.00 0.00 0.00 174.74 172.64 1x50 h ARG 135 N 17.59 0.12 -4.46 1.40 3.08 -1.90 -3.44 114.38 126.77 1x50 h ARG 135 Ca -0.28 -0.20 -0.72 0.00 0.07 0.00 0.00 59.98 58.84 1x50 h ARG 135 Cb 1.24 0.08 -0.21 0.00 0.08 0.00 0.00 29.97 31.15 1x50 h ARG 135 CO 1.13 1.10 -0.37 -1.17 -1.07 0.00 0.00 179.97 179.58 1x50 s LEU 136 N -7.57 5.28 0.46 3.04 2.96 -1.26 -4.94 118.68 116.66 1x50 s LEU 136 Ca -0.25 -1.04 0.24 0.00 -0.22 0.00 0.00 54.13 52.85 1x50 s LEU 136 Cb 0.06 -2.19 1.26 0.00 0.50 0.00 0.00 46.19 45.82 1x50 s LEU 136 CO 0.67 -0.54 1.85 0.77 -1.32 0.00 0.00 176.35 177.78 1x50 h SER 137 N 8.69 0.25 -0.11 3.68 4.64 -2.00 0.23 113.55 128.92 1x50 h SER 137 Ca -0.27 0.03 -0.06 0.00 -0.47 0.00 0.00 61.79 61.02 1x50 h SER 137 Cb 1.12 -0.01 -0.03 0.00 -0.31 0.00 0.00 62.40 63.16 1x50 h SER 137 CO 0.79 0.08 0.08 0.00 -0.87 0.00 0.00 176.83 176.91 1x50 n ALA 138 N -2.59 3.01 -0.30 5.18 0.00 -1.26 -4.39 120.51 120.16 1x50 n ALA 138 Ca 0.20 -0.33 0.07 0.00 0.00 0.00 0.00 53.44 53.39 1x50 n ALA 138 Cb 0.86 -1.05 0.23 0.00 0.00 0.00 0.00 19.45 19.48 1x50 n ALA 138 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.50 177.77 1x50 h PHE 139 N 0.23 0.80 -0.90 0.00 -0.00 -0.92 -0.59 116.94 115.56 1x50 h PHE 139 Ca 0.07 0.03 0.21 0.00 -0.00 0.00 0.00 57.97 58.29 1x50 h PHE 139 Cb 1.18 -0.23 -0.12 0.00 -0.00 0.00 0.00 35.95 36.79 1x50 h PHE 139 CO 0.20 0.20 0.43 -0.56 -0.00 0.00 0.00 178.31 178.58 1x50 h GLN 140 N 0.65 0.44 -0.94 6.09 3.07 -1.77 0.19 115.11 122.86 1x50 h GLN 140 Ca 0.47 -0.03 0.12 0.00 0.09 0.00 0.00 58.65 59.30 1x50 h GLN 140 Cb 0.65 -0.10 -0.08 0.00 0.08 0.00 0.00 27.48 28.02 1x50 h GLN 140 CO -0.35 0.29 0.57 0.00 0.09 0.00 0.00 178.83 179.43 1x50 h ARG 141 N 0.46 0.86 -5.61 0.06 3.08 -1.40 -1.83 114.38 110.01 1x50 h ARG 141 Ca 0.56 -0.05 -0.62 0.00 0.07 0.00 0.00 59.98 59.94 1x50 h ARG 141 Cb 1.02 -0.19 -0.05 0.00 0.08 0.00 0.00 29.97 30.83 1x50 h ARG 141 CO -0.50 0.57 1.53 0.28 -1.07 0.00 0.00 179.97 180.79 1x50 n VAL 142 N -4.69 0.04 -2.21 2.04 0.31 0.68 -4.42 118.33 110.07 1x50 n VAL 142 Ca 0.17 -0.16 -0.02 0.00 -0.01 0.00 0.00 64.34 64.32 1x50 n VAL 142 Cb 0.35 -1.05 0.08 0.00 -0.91 0.00 0.00 33.84 32.32 1x50 n VAL 142 CO 0.00 0.00 0.00 -0.90 -1.32 0.00 0.00 176.83 174.61 1x50 n ASP 143 N 10.08 2.18 -3.62 4.52 5.68 -1.17 -2.46 116.55 131.76 1x50 n ASP 143 Ca 0.53 -2.93 -0.19 0.00 -0.50 0.00 0.00 54.79 51.71 1x50 n ASP 143 Cb 0.12 -0.41 -0.15 0.00 -1.14 0.00 0.00 41.12 39.53 1x50 n ASP 143 CO 0.00 0.00 0.00 -0.89 -1.33 0.00 0.00 177.20 174.98 1x50 s THR 144 N -2.75 -0.24 -0.31 2.12 2.01 -0.28 -1.26 115.64 114.94 1x50 s THR 144 Ca 0.37 0.20 -0.00 0.00 0.31 0.00 0.00 61.69 62.57 1x50 s THR 144 Cb 0.37 -0.40 0.06 0.00 0.01 0.00 0.00 72.50 72.55 1x50 s THR 144 CO -0.07 0.02 -0.00 -0.22 -0.69 0.00 0.00 174.62 173.67 1x50 s LEU 145 N 2.27 4.03 0.15 4.42 2.96 0.17 -0.80 118.68 131.88 1x50 s LEU 145 Ca 0.04 -1.48 0.07 0.00 -0.22 0.00 0.00 54.13 52.54 1x50 s LEU 145 Cb -0.13 -1.67 -0.04 0.00 0.50 0.00 0.00 46.19 44.84 1x50 s LEU 145 CO -0.07 -0.29 -0.04 -1.83 -1.32 0.00 0.00 176.35 172.80 1x50 s GLU 146 N 1.16 2.29 -0.17 1.98 -1.05 -0.69 -0.01 118.70 122.21 1x50 s GLU 146 Ca -0.03 -1.09 -0.05 0.00 -0.15 0.00 0.00 54.97 53.65 1x50 s GLU 146 Cb -0.20 -2.33 0.06 0.00 -0.44 0.00 0.00 34.13 31.22 1x50 s GLU 146 CO -0.03 0.47 0.09 0.42 0.95 0.00 0.00 175.26 177.16 1x50 s ILE 147 N -1.56 -0.08 0.46 1.83 1.01 -0.64 -1.94 121.20 120.27 1x50 s ILE 147 Ca 0.25 -0.18 0.05 0.00 0.00 0.00 0.00 60.65 60.78 1x50 s ILE 147 Cb -0.10 -0.58 -0.04 0.00 0.01 0.00 0.00 42.46 41.74 1x50 s ILE 147 CO 0.17 -0.29 0.05 0.00 0.00 0.00 0.00 174.94 174.87 1x50 s GLN 148 N 2.14 2.10 0.00 2.79 0.00 -0.53 -1.79 119.66 124.37 1x50 s GLN 148 Ca 0.02 -2.18 0.00 0.00 -0.00 0.00 0.00 55.36 53.20 1x50 s GLN 148 Cb -0.16 -1.67 0.00 0.00 0.00 0.00 0.00 33.01 31.18 1x50 s GLN 148 CO -0.10 -0.21 0.00 0.41 0.00 0.00 0.00 175.29 175.40 1x50 n GLY 149 N -1.16 0.37 3.11 2.60 0.00 -1.26 -0.42 105.19 108.42 1x50 n GLY 149 Ca -0.10 -1.82 -0.37 0.00 0.00 0.00 0.00 46.02 43.74 1x50 n GLY 149 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1x50 s ASP 150 N -4.00 5.29 -0.03 1.61 1.01 -0.48 -4.91 116.67 115.15 1x50 s ASP 150 Ca 0.00 -2.63 -0.17 0.00 0.71 0.00 0.00 52.55 50.46 1x50 s ASP 150 Cb 0.00 -1.86 0.03 0.00 1.01 0.00 0.00 42.92 42.10 1x50 s ASP 150 CO 0.00 -0.43 0.37 0.54 0.21 0.00 0.00 175.17 175.86 1x50 s VAL 151 N 0.27 0.04 -0.55 -1.27 0.11 -1.26 -3.83 120.40 113.91 1x50 s VAL 151 Ca 0.14 -0.37 -0.05 0.00 -2.93 0.00 0.00 61.98 58.77 1x50 s VAL 151 Cb -0.21 -0.66 0.14 0.00 -1.53 0.00 0.00 36.38 34.12 1x50 s VAL 151 CO -0.04 -0.20 0.39 -0.89 -3.33 0.00 0.00 175.10 171.03 1x50 s THR 152 N -1.18 3.89 0.18 5.04 2.01 -0.60 -4.95 115.64 120.03 1x50 s THR 152 Ca -0.12 -2.42 -0.30 0.00 0.31 0.00 0.00 61.69 59.16 1x50 s THR 152 Cb -0.04 -3.56 -0.07 0.00 0.01 0.00 0.00 72.50 68.84 1x50 s THR 152 CO 0.05 -0.82 1.07 -0.76 -0.69 0.00 0.00 174.62 173.46 1x50 s LEU 153 N 0.59 4.50 0.00 4.42 1.43 -1.26 0.36 118.68 128.72 1x50 s LEU 153 Ca 0.12 2.04 0.00 0.00 -1.03 0.00 0.00 54.13 55.26 1x50 s LEU 153 Cb -0.21 -3.60 0.00 0.00 0.03 0.00 0.00 46.19 42.40 1x50 s LEU 153 CO -0.03 -0.16 0.00 -1.20 0.23 0.00 0.00 176.35 175.18 1x50 n SER 154 N 2.33 4.33 -3.70 2.29 7.64 0.98 -4.14 113.62 123.35 1x50 n SER 154 Ca 0.02 0.00 -0.11 0.00 1.01 0.00 0.00 58.87 59.79 1x50 n SER 154 Cb 0.47 0.17 -0.11 0.00 -1.01 0.00 0.00 64.21 63.73 1x50 n SER 154 CO 0.00 0.00 0.00 -0.47 -3.01 0.00 0.00 175.04 171.56 1x50 s TYR 155 N -2.00 -0.54 -0.23 1.43 6.14 -0.35 -2.91 117.35 118.90 1x50 s TYR 155 Ca 0.00 1.18 -0.04 0.00 0.64 0.00 0.00 57.07 58.85 1x50 s TYR 155 Cb 0.00 0.22 0.08 0.00 0.42 0.00 0.00 41.96 42.68 1x50 s TYR 155 CO 0.00 -0.31 0.11 0.08 0.64 0.00 0.00 175.55 176.07 1x50 s VAL 156 N 1.27 -0.05 -0.06 3.14 1.01 -1.26 -0.25 120.40 124.20 1x50 s VAL 156 Ca -0.09 -0.48 0.06 0.00 0.00 0.00 0.00 61.98 61.47 1x50 s VAL 156 Cb -0.08 -0.80 -0.01 0.00 0.00 0.00 0.00 36.38 35.49 1x50 s VAL 156 CO -0.11 -0.50 -0.25 -1.58 0.00 0.00 0.00 175.10 172.66 1x50 s GLN 157 N 2.10 2.49 -0.65 2.72 0.74 -1.22 -3.60 119.66 122.25 1x50 s GLN 157 Ca 0.05 -0.89 -0.11 0.00 0.05 0.00 0.00 55.36 54.47 1x50 s GLN 157 Cb -0.16 -2.12 0.17 0.00 1.10 0.00 0.00 33.01 31.99 1x50 s GLN 157 CO -0.23 0.38 0.55 0.42 -0.55 0.00 0.00 175.29 175.86 1x50 s ILE 158 N -0.16 4.79 0.69 -2.34 1.01 -1.26 -3.20 121.20 120.72 1x50 s ILE 158 Ca -0.03 -2.24 -0.17 0.00 0.00 0.00 0.00 60.65 58.21 1x50 s ILE 158 Cb -0.14 -4.05 -0.00 0.00 0.01 0.00 0.00 42.46 38.28 1x50 s ILE 158 CO 0.03 -0.91 1.04 -0.24 0.00 0.00 0.00 174.94 174.87 1x50 n SER 159 N 4.32 0.85 0.00 3.58 2.88 -1.05 -4.97 113.62 119.23 1x50 n SER 159 Ca 0.02 0.72 0.00 0.00 -1.33 0.00 0.00 58.87 58.28 1x50 n SER 159 Cb 0.42 -1.44 0.00 0.00 -0.75 0.00 0.00 64.21 62.45 1x50 n SER 159 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1x50 n GLY 160 N 1.08 -1.56 3.77 0.46 0.00 -1.26 -3.91 105.19 103.76 1x50 n GLY 160 Ca 0.14 -1.06 -0.34 0.00 0.00 0.00 0.00 46.02 44.76 1x50 n GLY 160 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1x50 s PRO 161 N -1.36 3.09 0.09 1.61 0.04 -1.26 -4.97 135.00 132.24 1x50 s PRO 161 Ca 0.00 1.50 -0.22 0.00 0.04 0.00 0.00 61.00 62.33 1x50 s PRO 161 Cb 0.00 -1.98 -0.11 0.00 0.04 0.00 0.00 34.50 32.45 1x50 s PRO 161 CO 0.00 -1.04 1.69 0.77 0.04 0.00 0.00 177.00 178.46 1x50 h SER 162 N 0.64 0.13 -2.06 6.66 0.02 -2.02 -3.45 113.55 113.46 1x50 h SER 162 Ca -0.48 -0.08 -0.60 0.00 -0.84 0.00 0.00 61.79 59.79 1x50 h SER 162 Cb 1.25 -0.03 -0.13 0.00 0.14 0.00 0.00 62.40 63.63 1x50 h SER 162 CO 0.56 0.17 -0.52 -0.44 -1.14 0.00 0.00 176.83 175.45 1x50 s SER 163 N -5.38 3.31 0.00 3.07 0.01 -1.26 -5.15 113.70 108.30 1x50 s SER 163 Ca -0.13 -1.64 0.00 0.00 1.31 0.00 0.00 55.95 55.49 1x50 s SER 163 Cb 0.07 0.44 0.00 0.00 0.21 0.00 0.00 66.02 66.74 1x50 s SER 163 CO 0.68 -0.87 0.00 0.61 0.41 0.00 0.00 173.24 174.07