#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 -2.83 -4.91 1.61 2.88 -1.26 -4.93 113.62 104.18 1x50 n SER 2 Ca 0.00 -1.00 -0.28 0.00 -1.33 0.00 0.00 58.87 56.26 1x50 n SER 2 Cb 0.00 -2.89 -0.03 0.00 -0.75 0.00 0.00 64.21 60.54 1x50 n SER 2 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 1x50 s SER 3 N -3.51 6.42 0.00 -3.46 0.15 -1.26 -5.07 113.70 106.97 1x50 s SER 3 Ca 0.59 0.61 0.00 0.00 0.70 0.00 0.00 55.95 57.85 1x50 s SER 3 Cb -0.32 -2.10 0.00 0.00 -1.71 0.00 0.00 66.02 61.89 1x50 s SER 3 CO 0.91 -0.16 0.00 0.61 1.20 0.00 0.00 173.24 175.81 1x50 n GLY 4 N -0.90 0.66 3.84 9.45 0.00 -1.26 -5.14 105.19 111.85 1x50 n GLY 4 Ca -0.03 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.76 1x50 n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1x50 s SER 5 N 0.69 4.73 0.27 1.61 0.01 -1.26 -5.15 113.70 114.59 1x50 s SER 5 Ca 0.00 -1.00 0.11 0.00 1.31 0.00 0.00 55.95 56.37 1x50 s SER 5 Cb 0.00 -0.25 -0.05 0.00 0.21 0.00 0.00 66.02 65.93 1x50 s SER 5 CO 0.00 -0.75 -0.19 -0.94 0.41 0.00 0.00 173.24 171.77 1x50 s SER 6 N -4.10 3.45 0.00 2.44 1.04 -1.26 -5.14 113.70 110.13 1x50 s SER 6 Ca 0.42 -1.03 0.00 0.00 0.48 0.00 0.00 55.95 55.81 1x50 s SER 6 Cb -0.01 -0.28 0.00 0.00 0.10 0.00 0.00 66.02 65.84 1x50 s SER 6 CO 0.24 0.00 0.00 0.61 0.98 0.00 0.00 173.24 175.08 1x50 n GLY 7 N -0.59 -1.63 3.82 7.32 0.00 -1.26 -4.92 105.19 107.93 1x50 n GLY 7 Ca -0.05 -0.14 -0.35 0.00 0.00 0.00 0.00 46.02 45.47 1x50 n GLY 7 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 1x50 s HIS 8 N 0.00 3.55 -0.22 1.61 5.65 -1.26 -5.07 115.29 119.55 1x50 s HIS 8 Ca 0.00 1.44 -0.10 0.00 0.25 0.00 0.00 55.06 56.65 1x50 s HIS 8 Cb 0.00 -2.68 0.08 0.00 -1.18 0.00 0.00 32.58 28.81 1x50 s HIS 8 CO 0.00 0.21 0.51 -1.14 -0.65 0.00 0.00 174.74 173.67 1x50 s GLN 9 N -2.36 0.47 -0.19 2.88 0.74 -1.26 -5.15 119.66 114.79 1x50 s GLN 9 Ca 0.49 1.05 -0.07 0.00 0.05 0.00 0.00 55.36 56.88 1x50 s GLN 9 Cb -0.15 0.24 -0.04 0.00 1.10 0.00 0.00 33.01 34.16 1x50 s GLN 9 CO 0.20 -0.19 0.04 1.14 -0.55 0.00 0.00 175.29 175.93 1x50 s GLN 10 N 2.00 3.84 -0.32 1.67 -2.07 -1.26 -5.07 119.66 118.45 1x50 s GLN 10 Ca -0.07 -0.41 -0.01 0.00 -1.82 0.00 0.00 55.36 53.05 1x50 s GLN 10 Cb -0.09 -3.17 0.10 0.00 -1.09 0.00 0.00 33.01 28.76 1x50 s GLN 10 CO -0.15 0.17 0.11 -0.51 -1.32 0.00 0.00 175.29 173.59 1x50 s LEU 11 N 0.63 2.17 0.14 2.60 1.43 -1.26 -4.99 118.68 119.40 1x50 s LEU 11 Ca 0.02 -1.71 -0.12 0.00 -1.03 0.00 0.00 54.13 51.29 1x50 s LEU 11 Cb -0.13 -0.84 -0.04 0.00 0.03 0.00 0.00 46.19 45.20 1x50 s LEU 11 CO 0.02 -0.40 1.48 0.78 0.23 0.00 0.00 176.35 178.46 1x50 h ASN 12 N 7.98 0.95 -2.35 2.29 2.35 -2.08 -3.45 115.58 121.27 1x50 h ASN 12 Ca -0.12 -0.45 -0.26 0.00 -0.55 0.00 0.00 56.30 54.92 1x50 h ASN 12 Cb 1.01 -0.27 0.16 0.00 0.05 0.00 0.00 38.32 39.27 1x50 h ASN 12 CO 0.47 1.20 -0.13 -1.20 -1.65 0.00 0.00 177.43 176.12 1x50 n SER 13 N -4.13 -3.54 -4.74 5.81 7.64 -1.26 -5.03 113.62 108.38 1x50 n SER 13 Ca -0.02 -0.63 -0.24 0.00 1.01 0.00 0.00 58.87 58.99 1x50 n SER 13 Cb 0.50 -0.78 -0.06 0.00 -1.01 0.00 0.00 64.21 62.86 1x50 n SER 13 CO 0.00 0.00 0.00 -1.48 -3.01 0.00 0.00 175.04 170.55 1x50 s LEU 14 N 0.00 3.55 0.00 -3.43 2.34 -1.26 -5.13 118.68 114.75 1x50 s LEU 14 Ca 0.48 -0.34 0.00 0.00 0.06 0.00 0.00 54.13 54.33 1x50 s LEU 14 Cb -0.08 -2.13 0.00 0.00 -0.56 0.00 0.00 46.19 43.41 1x50 s LEU 14 CO 0.40 0.03 0.00 -0.81 -1.06 0.00 0.00 176.35 174.91 1x50 n PRO 15 N -0.64 -0.97 -2.51 1.48 -0.04 -1.26 -5.02 135.00 126.04 1x50 n PRO 15 Ca -0.08 0.00 -0.32 0.00 -0.04 0.00 0.00 63.50 63.05 1x50 n PRO 15 Cb 0.57 0.00 -0.04 0.00 -0.04 0.00 0.00 33.50 33.98 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 -0.98 4.48 -1.40 0.52 2.01 -1.26 -4.94 115.64 114.07 1x50 s THR 16 Ca 0.00 1.29 -0.11 0.00 0.31 0.00 0.00 61.69 63.17 1x50 s THR 16 Cb 0.00 -3.68 0.08 0.00 0.01 0.00 0.00 72.50 68.91 1x50 s THR 16 CO 0.00 -0.59 2.18 1.15 -0.69 0.00 0.00 174.62 176.67 1x50 n MET 17 N -1.33 3.31 -1.72 4.92 0.00 -1.26 -4.97 117.12 116.06 1x50 n MET 17 Ca 0.07 -2.95 -0.32 0.00 0.00 0.00 0.00 57.70 54.50 1x50 n MET 17 Cb 0.54 -3.08 0.04 0.00 0.00 0.00 0.00 33.22 30.72 1x50 n MET 17 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 175.97 174.76 1x50 s GLU 18 N 1.84 2.98 1.42 3.17 8.01 -1.26 -4.79 118.70 130.08 1x50 s GLU 18 Ca 0.47 1.10 0.00 0.00 0.01 0.00 0.00 54.97 56.55 1x50 s GLU 18 Cb 0.13 -1.99 0.00 0.00 -4.31 0.00 0.00 34.13 27.96 1x50 s GLU 18 CO -0.05 -1.07 0.00 0.41 0.01 0.00 0.00 175.26 174.56 1x50 n GLY 19 N -1.42 0.84 3.67 -1.39 0.00 -1.26 -4.97 105.19 100.66 1x50 n GLY 19 Ca 0.08 -1.31 -0.29 0.00 0.00 0.00 0.00 46.02 44.50 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 0.27 0.46 1.61 0.04 -1.26 -5.06 135.00 131.06 1x50 s PRO 20 Ca 0.00 0.47 -0.08 0.00 0.04 0.00 0.00 61.00 61.44 1x50 s PRO 20 Cb 0.00 -1.72 0.11 0.00 0.04 0.00 0.00 34.50 32.93 1x50 s PRO 20 CO 0.00 -2.83 0.41 -0.35 0.04 0.00 0.00 177.00 174.27 1x50 n PRO 21 N -4.24 -1.82 -3.64 0.56 -0.04 -1.26 -5.03 135.00 119.54 1x50 n PRO 21 Ca 0.05 -0.65 -0.37 0.00 -0.04 0.00 0.00 63.50 62.48 1x50 n PRO 21 Cb 0.57 -0.61 -0.06 0.00 -0.04 0.00 0.00 33.50 33.36 1x50 n PRO 21 CO 0.00 0.00 0.00 0.99 -0.04 0.00 0.00 175.50 176.45 1x50 s THR 22 N -1.74 5.26 -0.06 0.52 2.01 -1.20 -5.03 115.64 115.40 1x50 s THR 22 Ca 0.27 0.55 -0.02 0.00 0.31 0.00 0.00 61.69 62.80 1x50 s THR 22 Cb -0.03 -3.59 0.03 0.00 0.01 0.00 0.00 72.50 68.93 1x50 s THR 22 CO 0.20 0.54 0.03 -0.36 -0.69 0.00 0.00 174.62 174.34 1x50 s PHE 23 N -0.65 0.42 -1.20 4.92 0.40 -1.26 -3.20 117.98 117.41 1x50 s PHE 23 Ca 0.19 0.01 -0.01 0.00 -0.60 0.00 0.00 56.93 56.52 1x50 s PHE 23 Cb -0.14 -0.67 0.00 0.00 0.51 0.00 0.00 43.02 42.72 1x50 s PHE 23 CO 0.08 -0.27 1.00 0.09 0.70 0.00 0.00 175.22 176.82 1x50 n ASN 24 N 5.19 -2.46 -4.77 1.36 5.03 -0.98 -4.95 115.26 113.69 1x50 n ASN 24 Ca -0.06 -0.60 -0.40 0.00 0.87 0.00 0.00 54.58 54.39 1x50 n ASN 24 Cb 0.50 -5.06 -0.02 0.00 -1.02 0.00 0.00 39.78 34.18 1x50 n ASN 24 CO 0.00 0.00 0.00 -2.16 -1.83 0.00 0.00 177.26 173.27 1x50 s PRO 25 N -5.43 4.28 1.01 3.52 0.04 -1.26 -5.01 135.00 132.14 1x50 s PRO 25 Ca 0.06 1.98 -0.17 0.00 0.04 0.00 0.00 61.00 62.90 1x50 s PRO 25 Cb -0.02 -2.92 0.25 0.00 0.04 0.00 0.00 34.50 31.84 1x50 s PRO 25 CO 0.72 -0.17 0.89 -0.35 0.04 0.00 0.00 177.00 178.13 1x50 n PRO 26 N 0.56 -2.77 -3.82 0.56 -0.04 -1.26 -4.51 135.00 123.71 1x50 n PRO 26 Ca 0.02 -1.43 -0.13 0.00 -0.04 0.00 0.00 63.50 61.92 1x50 n PRO 26 Cb 0.44 -1.34 -0.14 0.00 -0.04 0.00 0.00 33.50 32.43 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 -2.62 -0.01 0.43 0.52 1.01 -1.26 -3.11 120.40 115.36 1x50 s VAL 27 Ca 0.58 0.04 -0.24 0.00 0.00 0.00 0.00 61.98 62.36 1x50 s VAL 27 Cb -0.06 -0.14 -0.08 0.00 0.00 0.00 0.00 36.38 36.11 1x50 s VAL 27 CO 0.45 0.02 1.18 -2.16 0.00 0.00 0.00 175.10 174.58 1x50 s PRO 28 N 0.28 3.89 -0.24 2.72 0.04 -1.26 -5.05 135.00 135.37 1x50 s PRO 28 Ca -0.02 1.82 -0.13 0.00 0.04 0.00 0.00 61.00 62.71 1x50 s PRO 28 Cb -0.03 -2.54 -0.04 0.00 0.04 0.00 0.00 34.50 31.93 1x50 s PRO 28 CO -0.01 -0.46 0.28 -0.47 0.04 0.00 0.00 177.00 176.38 1x50 s TYR 29 N -1.47 3.30 -0.43 0.56 6.14 -0.50 -4.88 117.35 120.06 1x50 s TYR 29 Ca 0.61 0.35 -0.08 0.00 0.64 0.00 0.00 57.07 58.58 1x50 s TYR 29 Cb -0.30 -2.43 0.10 0.00 0.42 0.00 0.00 41.96 39.75 1x50 s TYR 29 CO 0.37 -0.06 0.27 -0.06 0.64 0.00 0.00 175.55 176.71 1x50 s PHE 30 N 1.49 3.40 -0.34 4.97 0.08 -1.26 -0.96 117.98 125.35 1x50 s PHE 30 Ca 0.12 -1.76 -0.07 0.00 0.12 0.00 0.00 56.93 55.34 1x50 s PHE 30 Cb -0.15 -3.15 0.03 0.00 -0.57 0.00 0.00 43.02 39.19 1x50 s PHE 30 CO 0.08 -0.91 0.12 0.20 -0.10 0.00 0.00 175.22 174.60 1x50 s GLY 31 N 2.25 1.85 -0.31 4.36 0.00 0.99 -4.98 107.32 111.48 1x50 s GLY 31 Ca 0.04 -1.70 -0.29 0.00 0.00 0.00 0.00 44.72 42.77 1x50 s GLY 31 CO 0.00 0.77 1.46 0.50 0.00 0.00 0.00 173.10 175.83 1x50 s ARG 32 N 1.44 3.75 -0.72 2.90 1.81 -1.26 -0.69 118.95 126.18 1x50 s ARG 32 Ca -0.00 1.31 -0.26 0.00 -1.72 0.00 0.00 55.73 55.05 1x50 s ARG 32 Cb -0.19 -3.99 -0.01 0.00 -0.45 0.00 0.00 34.95 30.32 1x50 s ARG 32 CO 0.03 -1.34 1.69 -0.51 -0.68 0.00 0.00 175.30 174.49 1x50 s LEU 33 N 5.08 3.25 -0.73 2.53 1.43 0.21 -4.85 118.68 125.61 1x50 s LEU 33 Ca 0.64 -0.14 -0.26 0.00 -1.03 0.00 0.00 54.13 53.34 1x50 s LEU 33 Cb -0.19 -2.54 -0.06 0.00 0.03 0.00 0.00 46.19 43.43 1x50 s LEU 33 CO 0.28 -2.22 2.06 -1.10 0.23 0.00 0.00 176.35 175.60 1x50 s GLN 34 N 6.54 2.35 0.00 1.70 -0.21 -1.26 -2.48 119.66 126.31 1x50 s GLN 34 Ca 0.57 0.38 0.00 0.00 0.02 0.00 0.00 55.36 56.34 1x50 s GLN 34 Cb -0.10 -4.73 0.00 0.00 1.00 0.00 0.00 33.01 29.19 1x50 s GLN 34 CO 0.14 -3.33 0.00 0.41 -2.12 0.00 0.00 175.29 170.39 1x50 n GLY 35 N 6.34 4.25 0.00 3.09 0.00 -1.26 -4.69 105.19 112.93 1x50 n GLY 35 Ca 0.34 -0.82 0.00 0.00 0.00 0.00 0.00 46.02 45.54 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 0.71 3.58 -0.02 0.00 -1.03 -4.86 105.19 103.56 1x50 n GLY 36 Ca 0.00 -1.91 -0.40 0.00 0.00 0.00 0.00 46.02 43.72 1x50 n GLY 36 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1x50 s LEU 37 N -0.94 3.42 0.26 0.99 1.43 -0.82 -4.92 118.68 118.10 1x50 s LEU 37 Ca 0.00 1.48 0.11 0.00 -1.03 0.00 0.00 54.13 54.69 1x50 s LEU 37 Cb 0.00 -3.01 -0.05 0.00 0.03 0.00 0.00 46.19 43.16 1x50 s LEU 37 CO 0.00 -2.42 -0.13 0.42 0.23 0.00 0.00 176.35 174.44 1x50 s THR 38 N 10.24 2.83 -0.13 5.49 -4.23 -1.26 -3.92 115.64 124.67 1x50 s THR 38 Ca 0.99 -2.14 0.27 0.00 -1.18 0.00 0.00 61.69 59.63 1x50 s THR 38 Cb -0.25 -2.47 0.28 0.00 1.34 0.00 0.00 72.50 71.40 1x50 s THR 38 CO 0.30 -0.33 1.82 0.00 -0.54 0.00 0.00 174.62 175.88 1x50 h ALA 39 N 2.33 1.00 -0.19 3.99 0.00 -1.73 -1.44 119.26 123.22 1x50 h ALA 39 Ca -0.43 0.00 -0.05 0.00 0.00 0.00 0.00 54.91 54.43 1x50 h ALA 39 Cb 1.25 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 19.00 1x50 h ALA 39 CO 0.58 0.00 -0.08 2.89 0.00 0.00 0.00 179.25 182.64 1x50 n ARG 40 N -2.47 2.03 -4.73 0.00 0.00 -1.26 -4.66 116.66 105.57 1x50 n ARG 40 Ca -0.00 -2.93 -0.33 0.00 -0.00 0.00 0.00 57.85 54.59 1x50 n ARG 40 Cb 0.13 -1.72 -0.13 0.00 -0.00 0.00 0.00 32.46 30.74 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 -3.01 3.01 -0.06 2.89 3.52 -0.54 -4.80 118.95 119.95 1x50 s ARG 41 Ca 0.40 -0.63 0.00 0.00 -0.13 0.00 0.00 55.73 55.37 1x50 s ARG 41 Cb 0.35 -2.58 0.02 0.00 -1.56 0.00 0.00 34.95 31.18 1x50 s ARG 41 CO 0.03 0.45 -0.05 0.99 -0.81 0.00 0.00 175.30 175.91 1x50 s THR 42 N -0.25 0.65 -0.05 4.11 2.01 -1.24 -1.79 115.64 119.09 1x50 s THR 42 Ca 0.02 -0.14 -0.13 0.00 0.31 0.00 0.00 61.69 61.76 1x50 s THR 42 Cb -0.13 -0.69 -0.05 0.00 0.01 0.00 0.00 72.50 71.64 1x50 s THR 42 CO 0.03 0.27 0.32 -0.63 -0.69 0.00 0.00 174.62 173.92 1x50 s ILE 43 N 1.23 5.19 -0.08 1.82 1.09 0.11 -3.10 121.20 127.46 1x50 s ILE 43 Ca -0.06 0.64 0.01 0.00 -1.10 0.00 0.00 60.65 60.14 1x50 s ILE 43 Cb -0.14 -3.62 0.02 0.00 -1.06 0.00 0.00 42.46 37.66 1x50 s ILE 43 CO -0.02 0.57 -0.11 -0.63 -0.10 0.00 0.00 174.94 174.65 1x50 s ILE 44 N -0.88 1.11 -0.25 2.92 1.01 -1.21 0.24 121.20 124.14 1x50 s ILE 44 Ca 0.21 -0.42 0.01 0.00 0.00 0.00 0.00 60.65 60.44 1x50 s ILE 44 Cb -0.15 -1.05 0.07 0.00 0.01 0.00 0.00 42.46 41.34 1x50 s ILE 44 CO 0.10 0.36 -0.02 -0.63 0.00 0.00 0.00 174.94 174.75 1x50 s ILE 45 N 1.01 1.50 -0.30 2.92 1.01 0.14 -3.57 121.20 123.91 1x50 s ILE 45 Ca -0.08 -1.35 -0.04 0.00 0.00 0.00 0.00 60.65 59.18 1x50 s ILE 45 Cb -0.15 -1.86 0.03 0.00 0.01 0.00 0.00 42.46 40.50 1x50 s ILE 45 CO -0.00 -0.23 0.03 -0.54 0.00 0.00 0.00 174.94 174.19 1x50 s LYS 46 N 1.38 2.73 0.00 2.79 1.02 -0.50 -1.55 119.74 125.61 1x50 s LYS 46 Ca -0.02 -1.08 0.00 0.00 0.02 0.00 0.00 55.97 54.90 1x50 s LYS 46 Cb -0.19 -3.25 0.00 0.00 -0.52 0.00 0.00 37.83 33.88 1x50 s LYS 46 CO -0.09 -0.53 0.00 0.41 -0.92 0.00 0.00 175.35 174.22 1x50 n GLY 47 N 4.74 5.29 3.51 -3.33 0.00 -1.23 -0.87 105.19 113.30 1x50 n GLY 47 Ca -0.14 -0.80 -0.00 0.00 0.00 0.00 0.00 46.02 45.07 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 1.44 -0.66 -0.26 1.61 6.14 0.16 -3.49 117.35 122.28 1x50 s TYR 48 Ca 0.00 1.21 -0.29 0.00 0.64 0.00 0.00 57.07 58.63 1x50 s TYR 48 Cb 0.00 0.40 -0.00 0.00 0.42 0.00 0.00 41.96 42.77 1x50 s TYR 48 CO 0.00 -0.33 1.31 0.08 0.64 0.00 0.00 175.55 177.25 1x50 s VAL 49 N 2.02 4.16 0.75 3.14 1.01 -1.20 -1.50 120.40 128.78 1x50 s VAL 49 Ca -0.05 1.33 -0.11 0.00 0.00 0.00 0.00 61.98 63.15 1x50 s VAL 49 Cb -0.05 -4.09 0.05 0.00 0.00 0.00 0.00 36.38 32.28 1x50 s VAL 49 CO -0.17 -0.37 1.10 -2.16 0.00 0.00 0.00 175.10 173.50 1x50 s PRO 50 N 4.01 2.36 0.51 2.72 0.04 -1.26 -0.05 135.00 143.33 1x50 s PRO 50 Ca 0.57 1.22 0.30 0.00 0.04 0.00 0.00 61.00 63.12 1x50 s PRO 50 Cb -0.18 -1.91 1.25 0.00 0.04 0.00 0.00 34.50 33.70 1x50 s PRO 50 CO 0.21 -1.57 1.95 -1.00 0.04 0.00 0.00 177.00 176.63 1x50 h PRO 51 N -0.89 0.00 -0.42 0.56 0.13 -1.94 -2.69 132.00 126.75 1x50 h PRO 51 Ca -0.44 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.69 1x50 h PRO 51 Cb 1.23 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.36 1x50 h PRO 51 CO 0.52 0.09 0.00 0.25 -0.23 0.00 0.00 178.00 178.63 1x50 n THR 52 N -3.26 2.35 -3.84 1.56 -2.24 -1.26 -4.92 114.28 102.68 1x50 n THR 52 Ca 0.00 -1.59 -0.36 0.00 -2.27 0.00 0.00 64.05 59.83 1x50 n THR 52 Cb 0.33 -0.18 -0.13 0.00 -2.10 0.00 0.00 70.33 68.25 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 -1.35 1.70 0.05 3.38 0.00 -1.01 -5.01 107.32 105.07 1x50 s GLY 53 Ca 0.47 -1.29 -0.35 0.00 0.00 0.00 0.00 44.72 43.55 1x50 s GLY 53 CO 0.14 0.53 1.44 0.50 0.00 0.00 0.00 173.10 175.71 1x50 h LYS 54 N 8.16 -1.21 -1.40 2.90 1.57 -1.87 -3.45 116.57 121.27 1x50 h LYS 54 Ca -0.37 0.08 0.21 0.00 -1.87 0.00 0.00 60.65 58.70 1x50 h LYS 54 Cb 1.14 0.28 -0.22 0.00 0.08 0.00 0.00 32.23 33.51 1x50 h LYS 54 CO 0.60 -0.81 0.78 -1.54 -0.57 0.00 0.00 179.45 177.91 1x50 s SER 55 N -4.11 -0.17 0.20 0.86 1.04 -1.26 -4.28 113.70 105.98 1x50 s SER 55 Ca -0.18 0.10 0.02 0.00 0.48 0.00 0.00 55.95 56.36 1x50 s SER 55 Cb 0.02 0.15 0.02 0.00 0.10 0.00 0.00 66.02 66.31 1x50 s SER 55 CO 0.55 -0.21 0.15 2.22 0.98 0.00 0.00 173.24 176.93 1x50 n PHE 56 N 0.26 -1.23 -3.66 5.02 -1.74 -1.25 -2.04 117.46 112.82 1x50 n PHE 56 Ca -0.02 -0.83 -0.14 0.00 -0.56 0.00 0.00 57.45 55.89 1x50 n PHE 56 Cb 0.58 -0.16 -0.08 0.00 1.52 0.00 0.00 39.48 41.34 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 -2.28 -1.34 -0.35 1.98 0.00 0.23 -3.78 121.76 116.22 1x50 s ALA 57 Ca 0.11 1.28 0.03 0.00 0.00 0.00 0.00 51.96 53.38 1x50 s ALA 57 Cb -0.01 -0.53 0.10 0.00 0.00 0.00 0.00 23.12 22.68 1x50 s ALA 57 CO 0.07 -0.28 0.08 0.42 0.00 0.00 0.00 175.76 176.05 1x50 s ILE 58 N -0.31 1.85 -0.04 0.00 1.09 0.66 -2.14 121.20 122.31 1x50 s ILE 58 Ca -0.05 -2.14 -0.06 0.00 -1.10 0.00 0.00 60.65 57.31 1x50 s ILE 58 Cb -0.03 -2.37 -0.04 0.00 -1.06 0.00 0.00 42.46 38.96 1x50 s ILE 58 CO 0.03 -0.65 0.20 0.20 -0.10 0.00 0.00 174.94 174.63 1x50 s ASN 59 N 1.02 6.43 -0.41 3.58 0.01 -1.01 -2.08 114.94 122.48 1x50 s ASN 59 Ca 0.11 0.47 0.02 0.00 -0.71 0.00 0.00 52.86 52.75 1x50 s ASN 59 Cb -0.19 -2.06 0.11 0.00 0.41 0.00 0.00 41.25 39.52 1x50 s ASN 59 CO -0.12 0.30 0.15 -0.36 -1.51 0.00 0.00 177.10 175.56 1x50 s PHE 60 N -1.22 3.59 0.48 2.20 0.40 0.32 -2.06 117.98 121.68 1x50 s PHE 60 Ca 0.24 -2.92 0.05 0.00 -0.60 0.00 0.00 56.93 53.69 1x50 s PHE 60 Cb -0.13 -2.98 0.02 0.00 0.51 0.00 0.00 43.02 40.44 1x50 s PHE 60 CO 0.13 -0.90 0.67 0.21 0.70 0.00 0.00 175.22 176.03 1x50 s LYS 61 N 0.63 2.70 -0.23 0.44 2.20 -0.06 -0.79 119.74 124.62 1x50 s LYS 61 Ca 0.12 -1.00 -0.10 0.00 -0.36 0.00 0.00 55.97 54.63 1x50 s LYS 61 Cb -0.21 -2.63 -0.05 0.00 -1.51 0.00 0.00 37.83 33.43 1x50 s LYS 61 CO -0.05 -0.48 0.13 0.08 -0.36 0.00 0.00 175.35 174.68 1x50 s VAL 62 N -2.55 5.12 0.35 4.02 1.01 -0.74 -1.07 120.40 126.55 1x50 s VAL 62 Ca 0.56 0.10 0.03 0.00 0.00 0.00 0.00 61.98 62.66 1x50 s VAL 62 Cb -0.10 -3.38 0.27 0.00 0.00 0.00 0.00 36.38 33.16 1x50 s VAL 62 CO 0.36 0.36 2.01 1.23 0.00 0.00 0.00 175.10 179.05 1x50 h GLY 63 N 7.55 0.89 0.00 4.51 0.00 -1.78 -0.62 103.07 113.62 1x50 h GLY 63 Ca -0.38 -0.33 0.00 0.00 0.00 0.00 0.00 47.33 46.63 1x50 h GLY 63 CO 0.64 0.31 0.00 -1.26 0.00 0.00 0.00 176.54 176.23 1x50 n SER 64 N -4.45 0.00 0.00 0.19 2.88 -1.26 -4.66 113.62 106.32 1x50 n SER 64 Ca 0.07 0.64 0.00 0.00 -1.33 0.00 0.00 58.87 58.25 1x50 n SER 64 Cb 0.06 -0.32 0.00 0.00 -0.75 0.00 0.00 64.21 63.20 1x50 n SER 64 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 1x50 n SER 65 N -1.46 0.00 0.00 -3.46 2.88 -1.24 -5.04 113.62 105.30 1x50 n SER 65 Ca 0.00 0.42 0.00 0.00 -1.33 0.00 0.00 58.87 57.96 1x50 n SER 65 Cb 0.00 -0.38 0.00 0.00 -0.75 0.00 0.00 64.21 63.08 1x50 n SER 65 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1x50 n GLY 66 N 1.85 0.52 3.46 0.46 0.00 -0.24 -4.96 105.19 106.28 1x50 n GLY 66 Ca 0.00 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.70 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 -0.81 3.88 -0.21 1.61 1.01 -1.26 -4.70 116.67 116.20 1x50 s ASP 67 Ca 0.00 -0.26 -0.24 0.00 0.71 0.00 0.00 52.55 52.76 1x50 s ASP 67 Cb 0.00 -0.75 -0.01 0.00 1.01 0.00 0.00 42.92 43.16 1x50 s ASP 67 CO 0.00 0.33 0.77 -0.63 0.21 0.00 0.00 175.17 175.85 1x50 s ILE 68 N -0.75 4.91 -0.10 0.77 1.01 0.18 -1.80 121.20 125.42 1x50 s ILE 68 Ca 0.12 1.47 0.11 0.00 0.00 0.00 0.00 60.65 62.35 1x50 s ILE 68 Cb -0.11 -4.07 -0.24 0.00 0.01 0.00 0.00 42.46 38.06 1x50 s ILE 68 CO 0.01 0.01 0.44 0.00 0.00 0.00 0.00 174.94 175.41 1x50 n ALA 69 N 5.47 1.41 -3.67 9.38 0.00 0.03 -1.99 120.51 131.14 1x50 n ALA 69 Ca 0.03 -0.89 -0.15 0.00 0.00 0.00 0.00 53.44 52.43 1x50 n ALA 69 Cb 0.49 -0.64 -0.16 0.00 0.00 0.00 0.00 19.45 19.14 1x50 n ALA 69 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 1x50 s LEU 70 N -6.10 1.13 -0.38 0.00 2.96 -1.25 -4.57 118.68 110.47 1x50 s LEU 70 Ca -0.10 0.07 0.01 0.00 -0.22 0.00 0.00 54.13 53.89 1x50 s LEU 70 Cb 0.07 -0.01 0.13 0.00 0.50 0.00 0.00 46.19 46.88 1x50 s LEU 70 CO 0.81 -0.12 0.20 -2.28 -1.32 0.00 0.00 176.35 173.64 1x50 s HIS 71 N 0.97 1.41 -0.15 5.38 5.65 0.64 -0.52 115.29 128.67 1x50 s HIS 71 Ca -0.08 -1.94 -0.14 0.00 0.25 0.00 0.00 55.06 53.15 1x50 s HIS 71 Cb -0.11 -1.47 -0.05 0.00 -1.18 0.00 0.00 32.58 29.77 1x50 s HIS 71 CO -0.03 -0.82 0.31 0.42 -0.65 0.00 0.00 174.74 173.97 1x50 s ILE 72 N 0.92 5.29 -0.23 0.89 1.01 -0.88 -0.52 121.20 127.68 1x50 s ILE 72 Ca 0.16 0.58 -0.04 0.00 0.00 0.00 0.00 60.65 61.35 1x50 s ILE 72 Cb -0.22 -3.64 0.08 0.00 0.01 0.00 0.00 42.46 38.68 1x50 s ILE 72 CO -0.06 0.39 0.09 0.21 0.00 0.00 0.00 174.94 175.57 1x50 s ASN 73 N 0.41 3.01 0.67 3.58 3.04 -0.31 -0.24 114.94 125.11 1x50 s ASN 73 Ca 0.17 -0.97 -0.15 0.00 0.04 0.00 0.00 52.86 51.96 1x50 s ASN 73 Cb -0.13 -0.43 0.00 0.00 -1.54 0.00 0.00 41.25 39.16 1x50 s ASN 73 CO 0.05 -0.37 1.11 -2.16 -3.04 0.00 0.00 177.10 172.68 1x50 s PRO 74 N 2.00 2.75 -0.36 0.43 0.04 -1.25 -2.07 135.00 136.54 1x50 s PRO 74 Ca 0.04 1.37 0.01 0.00 0.04 0.00 0.00 61.00 62.46 1x50 s PRO 74 Cb -0.16 -1.94 0.11 0.00 0.04 0.00 0.00 34.50 32.54 1x50 s PRO 74 CO -0.19 -1.29 0.15 1.03 0.04 0.00 0.00 177.00 176.74 1x50 s ARG 75 N -4.17 0.96 0.83 4.56 0.52 -1.18 -4.49 118.95 115.99 1x50 s ARG 75 Ca 0.66 -1.46 -0.14 0.00 -0.52 0.00 0.00 55.73 54.28 1x50 s ARG 75 Cb -0.20 -2.16 0.04 0.00 0.52 0.00 0.00 34.95 33.15 1x50 s ARG 75 CO 0.43 -1.05 0.80 -1.33 0.02 0.00 0.00 175.30 174.16 1x50 n MET 76 N 4.33 0.04 0.00 3.54 2.81 -1.26 -2.28 117.12 124.30 1x50 n MET 76 Ca 0.03 0.08 0.00 0.00 -1.81 0.00 0.00 57.70 55.99 1x50 n MET 76 Cb 0.39 -2.11 0.00 0.00 -0.71 0.00 0.00 33.22 30.79 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 1.09 2.37 0.17 3.03 0.00 -1.26 -4.48 105.19 106.11 1x50 n GLY 77 Ca 0.11 -0.09 -0.06 0.00 0.00 0.00 0.00 46.02 45.97 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 -0.47 0.00 1.61 -1.24 -1.99 -3.48 115.58 110.00 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 0.16 0.00 0.00 0.73 0.00 0.00 38.32 39.21 1x50 h ASN 78 CO 0.00 -0.23 0.00 0.61 -1.29 0.00 0.00 177.43 176.52 1x50 n GLY 79 N -1.19 0.94 2.75 1.57 0.00 -0.96 -5.06 105.19 103.23 1x50 n GLY 79 Ca -0.04 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.74 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 -1.41 0.34 -0.43 2.61 -4.23 -1.25 -4.74 115.64 106.52 1x50 s THR 80 Ca 0.00 0.01 -0.15 0.00 -1.18 0.00 0.00 61.69 60.36 1x50 s THR 80 Cb 0.00 -0.59 0.04 0.00 1.34 0.00 0.00 72.50 73.28 1x50 s THR 80 CO 0.00 0.14 0.35 -0.69 -0.54 0.00 0.00 174.62 173.87 1x50 s VAL 81 N 1.98 5.23 0.32 2.29 1.01 -1.26 -3.10 120.40 126.88 1x50 s VAL 81 Ca 0.04 -0.77 -0.27 0.00 0.00 0.00 0.00 61.98 60.98 1x50 s VAL 81 Cb -0.13 -4.01 -0.09 0.00 0.00 0.00 0.00 36.38 32.15 1x50 s VAL 81 CO -0.06 -0.41 1.02 -0.69 0.00 0.00 0.00 175.10 174.96 1x50 s VAL 82 N 1.72 3.84 -0.07 2.92 1.01 -0.88 -4.29 120.40 124.64 1x50 s VAL 82 Ca 0.05 1.61 0.03 0.00 0.00 0.00 0.00 61.98 63.67 1x50 s VAL 82 Cb -0.21 -3.94 0.01 0.00 0.00 0.00 0.00 36.38 32.25 1x50 s VAL 82 CO 0.09 0.21 -0.15 -0.13 0.00 0.00 0.00 175.10 175.12 1x50 s ARG 83 N -1.91 1.98 0.34 2.72 3.00 0.64 -1.16 118.95 124.56 1x50 s ARG 83 Ca 0.50 -0.51 0.07 0.00 0.00 0.00 0.00 55.73 55.79 1x50 s ARG 83 Cb -0.24 -1.59 -0.03 0.00 0.00 0.00 0.00 34.95 33.09 1x50 s ARG 83 CO 0.31 0.05 0.30 -0.80 0.00 0.00 0.00 175.30 175.16 1x50 s ASN 84 N 0.61 1.69 -0.30 0.23 -0.87 0.32 -0.66 114.94 115.97 1x50 s ASN 84 Ca -0.15 -1.76 0.02 0.00 -1.57 0.00 0.00 52.86 49.40 1x50 s ASN 84 Cb -0.16 0.57 0.19 0.00 -0.02 0.00 0.00 41.25 41.84 1x50 s ASN 84 CO 0.05 -1.09 0.60 -0.55 -2.57 0.00 0.00 177.10 173.53 1x50 s SER 85 N -3.37 -1.51 -0.23 -1.22 0.15 -1.26 0.24 113.70 106.49 1x50 s SER 85 Ca 0.40 0.53 -0.29 0.00 0.70 0.00 0.00 55.95 57.29 1x50 s SER 85 Cb 0.02 2.10 -0.00 0.00 -1.71 0.00 0.00 66.02 66.43 1x50 s SER 85 CO 0.28 -0.28 1.21 -0.22 1.20 0.00 0.00 173.24 175.43 1x50 s LEU 86 N 2.85 4.06 0.35 3.45 2.96 -0.84 -1.20 118.68 130.30 1x50 s LEU 86 Ca 0.15 1.43 0.02 0.00 -0.22 0.00 0.00 54.13 55.51 1x50 s LEU 86 Cb -0.12 -3.54 -0.02 0.00 0.50 0.00 0.00 46.19 43.00 1x50 s LEU 86 CO -0.23 -0.84 0.53 -0.76 -1.32 0.00 0.00 176.35 173.73 1x50 s LEU 87 N 3.68 3.98 -0.85 -0.68 1.43 0.67 0.51 118.68 127.43 1x50 s LEU 87 Ca 0.52 0.27 -0.31 0.00 -1.03 0.00 0.00 54.13 53.58 1x50 s LEU 87 Cb -0.18 -3.13 -0.20 0.00 0.03 0.00 0.00 46.19 42.71 1x50 s LEU 87 CO 0.15 -0.36 2.42 -0.46 0.23 0.00 0.00 176.35 178.33 1x50 n ASN 88 N -1.77 0.35 0.00 2.29 2.04 -1.26 0.23 115.26 117.14 1x50 n ASN 88 Ca -0.04 0.25 0.00 0.00 -0.44 0.00 0.00 54.58 54.36 1x50 n ASN 88 Cb 0.57 -0.85 0.00 0.00 -2.53 0.00 0.00 39.78 36.96 1x50 n ASN 88 CO 0.00 0.00 0.00 0.61 -0.44 0.00 0.00 177.26 177.43 1x50 n GLY 89 N 6.23 0.48 3.64 4.83 0.00 -1.26 -4.90 105.19 114.20 1x50 n GLY 89 Ca 0.60 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 46.35 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 -2.35 4.00 0.20 1.61 0.15 0.62 -5.16 113.70 112.77 1x50 s SER 90 Ca 0.00 -1.27 0.06 0.00 0.70 0.00 0.00 55.95 55.44 1x50 s SER 90 Cb 0.00 -0.42 -0.05 0.00 -1.71 0.00 0.00 66.02 63.84 1x50 s SER 90 CO 0.00 -0.44 -0.10 0.26 1.20 0.00 0.00 173.24 174.16 1x50 s TRP 91 N -2.67 1.60 0.00 3.44 0.52 -1.26 0.24 118.94 120.82 1x50 s TRP 91 Ca 0.36 -0.68 0.00 0.00 0.02 0.00 0.00 56.10 55.80 1x50 s TRP 91 Cb 0.07 -0.81 0.00 0.00 -1.15 0.00 0.00 33.47 31.59 1x50 s TRP 91 CO 0.19 0.22 0.00 0.41 0.02 0.00 0.00 176.95 177.79 1x50 n GLY 92 N -0.36 0.67 3.79 0.98 0.00 -0.34 -4.73 105.19 105.20 1x50 n GLY 92 Ca -0.08 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.86 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 -0.18 -0.23 1.61 0.01 -1.26 -4.97 113.70 107.69 1x50 s SER 93 Ca 0.00 -0.74 -0.15 0.00 1.31 0.00 0.00 55.95 56.36 1x50 s SER 93 Cb 0.00 0.71 -0.04 0.00 0.21 0.00 0.00 66.02 66.90 1x50 s SER 93 CO 0.00 -1.34 0.39 -1.61 0.41 0.00 0.00 173.24 171.09 1x50 s GLU 94 N -3.78 4.11 -0.17 12.44 2.02 -1.26 -3.95 118.70 128.12 1x50 s GLU 94 Ca 0.14 0.14 0.01 0.00 0.02 0.00 0.00 54.97 55.28 1x50 s GLU 94 Cb -0.05 -3.58 0.02 0.00 0.10 0.00 0.00 34.13 30.62 1x50 s GLU 94 CO 0.08 -0.13 -0.19 -1.21 0.02 0.00 0.00 175.26 173.83 1x50 s GLU 95 N 1.60 2.84 -0.16 1.61 2.02 0.16 -4.89 118.70 121.89 1x50 s GLU 95 Ca 0.17 -0.77 0.00 0.00 0.02 0.00 0.00 54.97 54.40 1x50 s GLU 95 Cb -0.15 -2.45 0.02 0.00 0.10 0.00 0.00 34.13 31.65 1x50 s GLU 95 CO 0.08 -0.20 -0.16 0.15 0.02 0.00 0.00 175.26 175.16 1x50 s LYS 96 N 1.28 2.47 -0.30 1.61 1.02 -1.26 -0.26 119.74 124.30 1x50 s LYS 96 Ca 0.04 -0.62 -0.11 0.00 0.02 0.00 0.00 55.97 55.30 1x50 s LYS 96 Cb -0.13 -2.22 0.18 0.00 -0.52 0.00 0.00 37.83 35.14 1x50 s LYS 96 CO -0.11 -0.23 0.96 0.21 -0.92 0.00 0.00 175.35 175.25 1x50 s LYS 97 N 1.44 0.26 0.04 1.68 2.36 -1.26 -5.05 119.74 119.21 1x50 s LYS 97 Ca 0.05 0.46 -0.12 0.00 -2.55 0.00 0.00 55.97 53.80 1x50 s LYS 97 Cb -0.13 0.25 0.02 0.00 -1.05 0.00 0.00 37.83 36.92 1x50 s LYS 97 CO -0.11 -0.29 0.27 -1.50 1.55 0.00 0.00 175.35 175.26 1x50 s ILE 98 N 2.93 0.09 -0.18 5.43 2.07 -1.26 -4.72 121.20 125.57 1x50 s ILE 98 Ca 0.04 -0.72 -0.05 0.00 -1.41 0.00 0.00 60.65 58.51 1x50 s ILE 98 Cb -0.11 -0.88 -0.22 0.00 0.13 0.00 0.00 42.46 41.38 1x50 s ILE 98 CO -0.13 -0.40 0.13 1.07 -1.91 0.00 0.00 174.94 173.70 1x50 n THR 99 N 0.71 1.66 -3.71 4.00 5.66 -1.25 -4.95 114.28 116.39 1x50 n THR 99 Ca -0.19 -0.58 -0.12 0.00 -3.05 0.00 0.00 64.05 60.10 1x50 n THR 99 Cb 0.59 -1.65 -0.13 0.00 -1.55 0.00 0.00 70.33 67.59 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 -0.38 -0.63 1.09 -3.43 -1.26 -5.11 115.29 103.04 1x50 s HIS 100 Ca -0.28 0.88 -0.12 0.00 -0.80 0.00 0.00 55.06 54.74 1x50 s HIS 100 Cb 0.08 0.06 0.16 0.00 -1.43 0.00 0.00 32.58 31.45 1x50 s HIS 100 CO 0.69 -0.27 0.54 1.21 -2.00 0.00 0.00 174.74 174.92 1x50 s ASN 101 N 1.46 6.13 0.14 7.38 3.84 -1.26 -4.92 114.94 127.71 1x50 s ASN 101 Ca -0.08 -2.25 -0.11 0.00 0.21 0.00 0.00 52.86 50.63 1x50 s ASN 101 Cb -0.10 -2.11 -0.05 0.00 -0.55 0.00 0.00 41.25 38.43 1x50 s ASN 101 CO -0.09 -0.66 1.47 1.55 -2.79 0.00 0.00 177.10 176.58 1x50 h PRO 102 N 8.19 0.93 -4.34 0.43 0.13 -1.99 -3.45 132.00 131.89 1x50 h PRO 102 Ca -0.11 -0.49 -0.57 0.00 -0.87 0.00 0.00 66.00 63.96 1x50 h PRO 102 Cb 1.06 0.02 -0.02 0.00 0.13 0.00 0.00 31.00 32.18 1x50 h PRO 102 CO 0.86 1.14 0.86 1.19 -0.23 0.00 0.00 178.00 181.83 1x50 n PHE 103 N -4.08 0.93 -3.94 1.56 3.72 -1.26 -4.90 117.46 109.49 1x50 n PHE 103 Ca -0.02 0.61 -0.15 0.00 -0.05 0.00 0.00 57.45 57.84 1x50 n PHE 103 Cb 0.54 -1.65 -0.15 0.00 -0.94 0.00 0.00 39.48 37.28 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 3.90 0.16 -0.67 1.37 0.00 -1.26 -4.63 107.32 106.19 1x50 s GLY 104 Ca 0.85 0.07 -0.26 0.00 0.00 0.00 0.00 44.72 45.37 1x50 s GLY 104 CO 0.50 0.29 1.88 2.56 0.00 0.00 0.00 173.10 178.33 1x50 s PRO 105 N 0.52 2.61 0.00 2.90 0.04 -1.26 -2.22 135.00 137.59 1x50 s PRO 105 Ca -0.05 0.44 0.00 0.00 0.04 0.00 0.00 61.00 61.43 1x50 s PRO 105 Cb -0.08 -4.52 0.00 0.00 0.04 0.00 0.00 34.50 29.94 1x50 s PRO 105 CO -0.01 -2.87 0.00 0.41 0.04 0.00 0.00 177.00 174.57 1x50 n GLY 106 N 5.93 0.69 3.13 0.56 0.00 0.93 -4.54 105.19 111.88 1x50 n GLY 106 Ca 0.24 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 46.10 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 0.73 1.07 1.61 -2.07 -0.94 -4.97 119.66 115.08 1x50 s GLN 107 Ca 0.00 -0.86 -0.13 0.00 -1.82 0.00 0.00 55.36 52.56 1x50 s GLN 107 Cb 0.00 -0.66 0.23 0.00 -1.09 0.00 0.00 33.01 31.49 1x50 s GLN 107 CO 0.00 0.14 1.07 -0.06 -1.32 0.00 0.00 175.29 175.12 1x50 s PHE 108 N -1.24 1.83 -0.30 9.60 0.40 -1.26 -3.25 117.98 123.76 1x50 s PHE 108 Ca -0.04 1.02 -0.11 0.00 -0.60 0.00 0.00 56.93 57.20 1x50 s PHE 108 Cb -0.10 -3.21 0.13 0.00 0.51 0.00 0.00 43.02 40.35 1x50 s PHE 108 CO 0.02 -3.28 0.69 -0.59 0.70 0.00 0.00 175.22 172.75 1x50 s PHE 109 N -2.80 -1.28 -0.47 0.36 -0.12 -1.23 -4.81 117.98 107.64 1x50 s PHE 109 Ca 0.67 2.21 -0.18 0.00 -0.05 0.00 0.00 56.93 59.58 1x50 s PHE 109 Cb -0.21 0.77 0.05 0.00 -0.63 0.00 0.00 43.02 43.00 1x50 s PHE 109 CO 0.60 -0.63 0.50 0.34 -0.05 0.00 0.00 175.22 175.97 1x50 s ASP 110 N 2.85 6.19 -0.09 1.98 2.15 -1.26 -3.49 116.67 125.01 1x50 s ASP 110 Ca -0.06 -0.93 -0.01 0.00 0.43 0.00 0.00 52.55 51.99 1x50 s ASP 110 Cb -0.11 -2.24 -0.03 0.00 -0.30 0.00 0.00 42.92 40.24 1x50 s ASP 110 CO -0.19 -0.71 -0.04 -0.22 -0.17 0.00 0.00 175.17 173.84 1x50 s LEU 111 N 2.20 3.33 -0.15 -1.34 1.98 -0.60 -0.66 118.68 123.44 1x50 s LEU 111 Ca 0.11 0.02 -0.04 0.00 -2.89 0.00 0.00 54.13 51.34 1x50 s LEU 111 Cb -0.20 -1.75 0.07 0.00 0.66 0.00 0.00 46.19 44.98 1x50 s LEU 111 CO 0.11 0.34 0.22 -0.44 -1.89 0.00 0.00 176.35 174.69 1x50 s SER 112 N -0.67 0.91 -0.05 3.68 0.01 -0.44 0.25 113.70 117.40 1x50 s SER 112 Ca 0.10 0.16 -0.13 0.00 1.31 0.00 0.00 55.95 57.39 1x50 s SER 112 Cb -0.12 0.45 -0.05 0.00 0.21 0.00 0.00 66.02 66.52 1x50 s SER 112 CO 0.02 -0.28 0.34 -0.63 0.41 0.00 0.00 173.24 173.09 1x50 s ILE 113 N 2.35 5.17 -0.18 1.44 1.09 0.14 -0.70 121.20 130.51 1x50 s ILE 113 Ca 0.04 0.67 -0.02 0.00 -1.10 0.00 0.00 60.65 60.24 1x50 s ILE 113 Cb -0.14 -3.63 -0.01 0.00 -1.06 0.00 0.00 42.46 37.62 1x50 s ILE 113 CO -0.09 0.57 -0.08 -0.13 -0.10 0.00 0.00 174.94 175.10 1x50 s ARG 114 N -0.89 3.36 -0.30 2.79 0.52 0.09 0.09 118.95 124.61 1x50 s ARG 114 Ca 0.21 -0.66 -0.18 0.00 -0.52 0.00 0.00 55.73 54.58 1x50 s ARG 114 Cb -0.15 -2.84 -0.02 0.00 0.52 0.00 0.00 34.95 32.46 1x50 s ARG 114 CO 0.10 -0.04 0.52 0.00 0.02 0.00 0.00 175.30 175.90 1x50 n GLY 116 N 4.58 4.33 0.00 0.00 0.00 -1.24 -4.15 105.19 108.71 1x50 n GLY 116 Ca -0.04 -1.69 0.00 0.00 0.00 0.00 0.00 46.02 44.29 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 1.67 -0.03 0.99 4.77 -1.26 -4.20 117.00 118.93 1x50 n LEU 117 Ca 0.00 0.00 -0.13 0.00 -0.03 0.00 0.00 56.01 55.85 1x50 n LEU 117 Cb 0.00 0.00 -0.14 0.00 -2.33 0.00 0.00 43.42 40.95 1x50 n LEU 117 CO 0.00 0.28 -0.75 0.47 -1.33 0.00 0.00 177.39 176.06 1x50 n ASP 118 N -2.21 1.16 -3.61 -1.43 9.92 -1.26 -5.00 116.55 114.11 1x50 n ASP 118 Ca 0.00 0.26 -0.02 0.00 -0.53 0.00 0.00 54.79 54.50 1x50 n ASP 118 Cb 0.46 -0.15 -0.01 0.00 -0.64 0.00 0.00 41.12 40.78 1x50 n ASP 118 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1x50 s ARG 119 N -2.57 0.45 0.36 -1.24 1.70 -1.26 -4.27 118.95 112.13 1x50 s ARG 119 Ca -0.12 -0.21 -0.05 0.00 -0.47 0.00 0.00 55.73 54.88 1x50 s ARG 119 Cb 0.07 0.18 -0.05 0.00 -0.57 0.00 0.00 34.95 34.58 1x50 s ARG 119 CO 0.80 -0.20 0.64 -0.06 -1.08 0.00 0.00 175.30 175.39 1x50 s PHE 120 N -2.54 3.50 -0.29 5.89 0.40 -0.97 -3.62 117.98 120.35 1x50 s PHE 120 Ca 0.11 0.69 0.00 0.00 -0.60 0.00 0.00 56.93 57.14 1x50 s PHE 120 Cb 0.01 -2.17 0.09 0.00 0.51 0.00 0.00 43.02 41.46 1x50 s PHE 120 CO -0.04 0.02 0.05 0.15 0.70 0.00 0.00 175.22 176.10 1x50 s LYS 121 N -4.00 1.02 -0.15 0.44 1.02 -0.30 -2.72 119.74 115.05 1x50 s LYS 121 Ca 0.45 -1.12 -0.17 0.00 0.02 0.00 0.00 55.97 55.15 1x50 s LYS 121 Cb -0.10 -2.34 -0.04 0.00 -0.52 0.00 0.00 37.83 34.83 1x50 s LYS 121 CO 0.34 -0.86 0.45 0.08 -0.92 0.00 0.00 175.35 174.45 1x50 s VAL 122 N 1.48 5.19 0.17 3.17 1.01 -0.86 -0.73 120.40 129.82 1x50 s VAL 122 Ca 0.06 0.87 0.10 0.00 0.00 0.00 0.00 61.98 63.01 1x50 s VAL 122 Cb -0.18 -3.79 -0.04 0.00 0.00 0.00 0.00 36.38 32.37 1x50 s VAL 122 CO -0.16 0.29 -0.20 -0.31 0.00 0.00 0.00 175.10 174.72 1x50 s TYR 123 N 0.94 2.43 -0.18 5.22 1.51 0.13 0.16 117.35 127.56 1x50 s TYR 123 Ca 0.23 -0.31 -0.03 0.00 -1.01 0.00 0.00 57.07 55.95 1x50 s TYR 123 Cb -0.15 -1.23 0.06 0.00 -0.11 0.00 0.00 41.96 40.53 1x50 s TYR 123 CO 0.09 0.47 0.05 0.00 -1.11 0.00 0.00 175.55 175.04 1x50 s ALA 124 N -1.52 0.85 -1.52 3.71 0.00 0.10 -1.33 121.76 122.06 1x50 s ALA 124 Ca 0.21 -0.58 -0.04 0.00 0.00 0.00 0.00 51.96 51.55 1x50 s ALA 124 Cb -0.09 -1.13 0.01 0.00 0.00 0.00 0.00 23.12 21.92 1x50 s ALA 124 CO 0.11 -1.15 0.38 0.09 0.00 0.00 0.00 175.76 175.19 1x50 n ASN 125 N 5.11 -5.48 0.00 0.00 3.02 0.16 -1.53 115.26 116.54 1x50 n ASN 125 Ca -0.08 -0.19 0.00 0.00 -0.03 0.00 0.00 54.58 54.28 1x50 n ASN 125 Cb 0.48 -4.49 0.00 0.00 -0.61 0.00 0.00 39.78 35.15 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 -1.28 0.56 2.72 7.41 0.00 -1.26 -5.06 105.19 108.29 1x50 n GLY 126 Ca -0.13 -0.79 -0.20 0.00 0.00 0.00 0.00 46.02 44.89 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 -3.56 0.19 -0.28 1.61 -1.52 -0.58 -5.10 119.66 110.42 1x50 s GLN 127 Ca 0.00 0.25 -0.33 0.00 -1.95 0.00 0.00 55.36 53.33 1x50 s GLN 127 Cb 0.00 -0.65 -0.09 0.00 -0.22 0.00 0.00 33.01 32.05 1x50 s GLN 127 CO 0.00 -0.29 2.18 1.58 -0.25 0.00 0.00 175.29 178.51 1x50 n HIS 128 N 5.07 1.78 0.02 0.91 -0.00 -1.26 0.01 115.22 121.75 1x50 n HIS 128 Ca -0.08 0.12 -0.01 0.00 -0.00 0.00 0.00 57.72 57.74 1x50 n HIS 128 Cb 0.50 -2.61 -0.01 0.00 -0.00 0.00 0.00 29.99 27.87 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 13.14 -0.07 -7.73 0.27 5.85 -0.60 -3.45 115.31 122.72 1x50 h LEU 129 Ca -0.33 0.00 0.17 0.00 0.84 0.00 0.00 57.88 58.55 1x50 h LEU 129 Cb 1.29 0.02 -0.07 0.00 0.37 0.00 0.00 40.66 42.27 1x50 h LEU 129 CO 0.99 0.10 0.48 0.72 -0.34 0.00 0.00 178.44 180.39 1x50 s PHE 130 N -1.65 -0.10 0.05 1.25 -0.12 -1.18 -3.80 117.98 112.44 1x50 s PHE 130 Ca -0.01 -0.24 0.05 0.00 -0.05 0.00 0.00 56.93 56.68 1x50 s PHE 130 Cb 0.00 0.66 -0.04 0.00 -0.63 0.00 0.00 43.02 43.01 1x50 s PHE 130 CO 0.03 -0.89 -0.07 0.16 -0.05 0.00 0.00 175.22 174.41 1x50 s ASP 131 N -3.00 4.59 -0.34 1.98 1.47 -1.26 -2.02 116.67 118.09 1x50 s ASP 131 Ca 0.13 -0.24 -0.03 0.00 1.18 0.00 0.00 52.55 53.59 1x50 s ASP 131 Cb -0.02 -1.00 0.06 0.00 -0.34 0.00 0.00 42.92 41.62 1x50 s ASP 131 CO 0.03 0.23 0.08 0.12 0.68 0.00 0.00 175.17 176.31 1x50 s PHE 132 N -1.12 3.34 0.19 2.11 5.36 -1.10 -4.95 117.98 121.81 1x50 s PHE 132 Ca 0.20 -1.90 -0.31 0.00 -0.96 0.00 0.00 56.93 53.96 1x50 s PHE 132 Cb -0.11 -2.43 -0.10 0.00 -0.34 0.00 0.00 43.02 40.03 1x50 s PHE 132 CO 0.11 -0.83 1.56 0.00 -1.46 0.00 0.00 175.22 174.61 1x50 s ALA 133 N 1.26 3.77 -0.20 11.12 0.00 -1.26 -2.29 121.76 134.16 1x50 s ALA 133 Ca -0.01 1.39 -0.30 0.00 0.00 0.00 0.00 51.96 53.04 1x50 s ALA 133 Cb -0.20 -3.62 -0.07 0.00 0.00 0.00 0.00 23.12 19.23 1x50 s ALA 133 CO -0.01 -0.79 2.17 0.72 0.00 0.00 0.00 175.76 177.85 1x50 n HIS 134 N 3.65 2.00 -0.10 0.00 -0.00 -1.26 -4.83 115.22 114.69 1x50 n HIS 134 Ca 0.13 -0.10 -0.23 0.00 -0.00 0.00 0.00 57.72 57.52 1x50 n HIS 134 Cb 0.38 -2.71 -0.12 0.00 -0.00 0.00 0.00 29.99 27.55 1x50 n HIS 134 CO 0.00 0.00 0.00 0.54 -0.00 0.00 0.00 176.34 176.88 1x50 n ARG 135 N 8.43 0.65 -3.48 -0.41 1.74 -1.26 -4.84 116.66 117.49 1x50 n ARG 135 Ca 0.30 0.27 -0.43 0.00 -0.77 0.00 0.00 57.85 57.23 1x50 n ARG 135 Cb 0.41 -1.59 -0.10 0.00 -1.02 0.00 0.00 32.46 30.15 1x50 n ARG 135 CO 0.00 0.00 0.00 -1.17 -1.52 0.00 0.00 177.63 174.94 1x50 s LEU 136 N -7.12 5.10 0.44 0.55 2.96 -1.26 -4.94 118.68 114.41 1x50 s LEU 136 Ca -0.32 -0.98 0.23 0.00 -0.22 0.00 0.00 54.13 52.84 1x50 s LEU 136 Cb 0.09 -2.13 1.22 0.00 0.50 0.00 0.00 46.19 45.87 1x50 s LEU 136 CO 0.61 -0.46 1.80 0.77 -1.32 0.00 0.00 176.35 177.75 1x50 h SER 137 N 8.60 0.31 -0.16 3.68 4.64 -2.00 0.38 113.55 129.00 1x50 h SER 137 Ca -0.27 0.05 -0.09 0.00 -0.47 0.00 0.00 61.79 61.02 1x50 h SER 137 Cb 1.11 0.00 -0.05 0.00 -0.31 0.00 0.00 62.40 63.16 1x50 h SER 137 CO 0.74 0.07 0.11 0.00 -0.87 0.00 0.00 176.83 176.88 1x50 n ALA 138 N -2.56 3.22 -0.35 5.18 0.00 -1.26 -4.42 120.51 120.32 1x50 n ALA 138 Ca 0.24 -0.49 0.14 0.00 0.00 0.00 0.00 53.44 53.33 1x50 n ALA 138 Cb 0.93 -1.08 0.34 0.00 0.00 0.00 0.00 19.45 19.64 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 0.32 1.05 -0.80 0.00 -0.00 -0.62 0.44 116.94 117.32 1x50 h PHE 139 Ca 0.10 0.03 0.13 0.00 -0.00 0.00 0.00 57.97 58.24 1x50 h PHE 139 Cb 1.26 -0.31 -0.09 0.00 -0.00 0.00 0.00 35.95 36.81 1x50 h PHE 139 CO 0.29 0.18 0.40 -0.56 -0.00 0.00 0.00 178.31 178.62 1x50 h GLN 140 N 0.71 0.58 -0.85 6.09 3.07 -1.77 -0.80 115.11 122.13 1x50 h GLN 140 Ca 0.60 -0.03 0.17 0.00 0.09 0.00 0.00 58.65 59.47 1x50 h GLN 140 Cb 0.99 -0.13 -0.10 0.00 0.08 0.00 0.00 27.48 28.31 1x50 h GLN 140 CO -0.41 0.38 0.41 0.00 0.09 0.00 0.00 178.83 179.31 1x50 h ARG 141 N 0.60 0.53 -5.66 0.06 3.08 -1.20 -2.32 114.38 109.46 1x50 h ARG 141 Ca 0.42 -0.03 -0.64 0.00 0.07 0.00 0.00 59.98 59.80 1x50 h ARG 141 Cb 0.56 -0.12 -0.05 0.00 0.08 0.00 0.00 29.97 30.44 1x50 h ARG 141 CO -0.34 0.35 1.50 0.28 -1.07 0.00 0.00 179.97 180.69 1x50 n VAL 142 N -4.93 0.04 -2.04 2.04 0.31 -0.30 -4.43 118.33 109.01 1x50 n VAL 142 Ca 0.18 -0.13 0.05 0.00 -0.01 0.00 0.00 64.34 64.43 1x50 n VAL 142 Cb 0.49 -0.97 0.11 0.00 -0.91 0.00 0.00 33.84 32.56 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 9.70 1.33 -3.63 4.52 5.68 -1.16 -1.95 116.55 131.04 1x50 n ASP 143 Ca 0.53 -2.89 -0.24 0.00 -0.50 0.00 0.00 54.79 51.69 1x50 n ASP 143 Cb 0.10 -0.40 -0.17 0.00 -1.14 0.00 0.00 41.12 39.50 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 -1.54 -0.09 -0.35 2.12 2.01 -0.23 -0.62 115.64 116.94 1x50 s THR 144 Ca 0.35 -0.01 -0.06 0.00 0.31 0.00 0.00 61.69 62.28 1x50 s THR 144 Cb 0.37 -0.47 0.06 0.00 0.01 0.00 0.00 72.50 72.47 1x50 s THR 144 CO -0.11 -0.16 0.12 -0.22 -0.69 0.00 0.00 174.62 173.56 1x50 s LEU 145 N 2.14 4.47 0.16 4.42 2.96 0.13 -0.89 118.68 132.08 1x50 s LEU 145 Ca 0.03 -1.33 0.07 0.00 -0.22 0.00 0.00 54.13 52.69 1x50 s LEU 145 Cb -0.15 -1.85 -0.04 0.00 0.50 0.00 0.00 46.19 44.65 1x50 s LEU 145 CO -0.07 -0.37 -0.03 -1.83 -1.32 0.00 0.00 176.35 172.72 1x50 s GLU 146 N 1.35 2.31 -0.15 1.98 1.03 -0.88 -0.01 118.70 124.34 1x50 s GLU 146 Ca -0.00 -1.11 -0.04 0.00 0.03 0.00 0.00 54.97 53.85 1x50 s GLU 146 Cb -0.20 -2.33 0.05 0.00 -0.80 0.00 0.00 34.13 30.85 1x50 s GLU 146 CO 0.01 0.46 0.08 0.42 -1.33 0.00 0.00 175.26 174.90 1x50 s ILE 147 N -1.62 -0.03 0.43 1.83 1.01 -0.14 -2.41 121.20 120.27 1x50 s ILE 147 Ca 0.26 -0.08 0.05 0.00 0.00 0.00 0.00 60.65 60.88 1x50 s ILE 147 Cb -0.10 -0.54 -0.06 0.00 0.01 0.00 0.00 42.46 41.78 1x50 s ILE 147 CO 0.17 -0.18 0.02 0.00 0.00 0.00 0.00 174.94 174.95 1x50 s GLN 148 N 2.12 1.99 0.00 2.79 0.00 -0.91 -1.41 119.66 124.23 1x50 s GLN 148 Ca 0.02 -2.17 0.00 0.00 -0.00 0.00 0.00 55.36 53.22 1x50 s GLN 148 Cb -0.15 -1.50 0.00 0.00 0.00 0.00 0.00 33.01 31.36 1x50 s GLN 148 CO -0.08 -0.16 0.00 0.41 0.00 0.00 0.00 175.29 175.47 1x50 n GLY 149 N -1.01 0.43 3.02 2.60 0.00 -1.26 -0.60 105.19 108.37 1x50 n GLY 149 Ca -0.08 -1.79 -0.32 0.00 0.00 0.00 0.00 46.02 43.82 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 4.74 0.01 1.61 1.11 -0.87 -4.92 116.67 114.35 1x50 s ASP 150 Ca 0.00 -2.67 -0.17 0.00 0.18 0.00 0.00 52.55 49.89 1x50 s ASP 150 Cb 0.00 -1.71 0.03 0.00 1.07 0.00 0.00 42.92 42.31 1x50 s ASP 150 CO 0.00 -0.33 0.36 0.54 1.18 0.00 0.00 175.17 176.92 1x50 s VAL 151 N 0.20 0.06 -0.54 -1.27 0.11 -1.26 -3.86 120.40 113.83 1x50 s VAL 151 Ca 0.15 -0.49 -0.02 0.00 -2.93 0.00 0.00 61.98 58.69 1x50 s VAL 151 Cb -0.23 -0.80 0.14 0.00 -1.53 0.00 0.00 36.38 33.97 1x50 s VAL 151 CO -0.03 -0.27 0.34 -0.89 -3.33 0.00 0.00 175.10 170.92 1x50 s THR 152 N -1.87 3.44 0.32 5.04 2.01 -0.56 -4.95 115.64 119.07 1x50 s THR 152 Ca -0.09 -2.70 -0.28 0.00 0.31 0.00 0.00 61.69 58.92 1x50 s THR 152 Cb -0.03 -3.30 -0.09 0.00 0.01 0.00 0.00 72.50 69.09 1x50 s THR 152 CO 0.01 -0.81 1.13 -0.76 -0.69 0.00 0.00 174.62 173.50 1x50 s LEU 153 N 0.31 4.43 0.00 4.42 1.43 -1.26 0.37 118.68 128.37 1x50 s LEU 153 Ca 0.14 2.30 0.00 0.00 -1.03 0.00 0.00 54.13 55.54 1x50 s LEU 153 Cb -0.21 -3.76 0.00 0.00 0.03 0.00 0.00 46.19 42.24 1x50 s LEU 153 CO -0.03 -0.31 0.00 -1.20 0.23 0.00 0.00 176.35 175.03 1x50 n SER 154 N 0.81 3.54 -3.66 2.29 7.64 -0.05 -4.17 113.62 120.03 1x50 n SER 154 Ca 0.01 0.00 -0.08 0.00 1.01 0.00 0.00 58.87 59.81 1x50 n SER 154 Cb 0.45 0.41 -0.08 0.00 -1.01 0.00 0.00 64.21 63.98 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 -1.67 -0.94 -0.23 1.43 6.14 -0.35 -2.31 117.35 119.43 1x50 s TYR 155 Ca 0.00 1.90 -0.04 0.00 0.64 0.00 0.00 57.07 59.56 1x50 s TYR 155 Cb 0.00 0.53 0.08 0.00 0.42 0.00 0.00 41.96 42.99 1x50 s TYR 155 CO 0.00 -0.48 0.12 0.08 0.64 0.00 0.00 175.55 175.91 1x50 s VAL 156 N 1.58 -0.11 -0.01 3.14 1.01 -1.19 -1.41 120.40 123.40 1x50 s VAL 156 Ca -0.10 -0.42 0.08 0.00 0.00 0.00 0.00 61.98 61.54 1x50 s VAL 156 Cb -0.06 -0.76 -0.02 0.00 0.00 0.00 0.00 36.38 35.54 1x50 s VAL 156 CO -0.18 -0.47 -0.25 -1.58 0.00 0.00 0.00 175.10 172.63 1x50 s GLN 157 N 2.14 1.95 -0.55 2.72 0.74 -1.23 -3.23 119.66 122.20 1x50 s GLN 157 Ca 0.05 -0.90 -0.05 0.00 0.05 0.00 0.00 55.36 54.52 1x50 s GLN 157 Cb -0.16 -1.92 0.14 0.00 1.10 0.00 0.00 33.01 32.18 1x50 s GLN 157 CO -0.22 0.52 0.38 0.42 -0.55 0.00 0.00 175.29 175.85 1x50 s ILE 158 N -0.60 3.79 0.13 -2.34 1.01 -1.26 -3.29 121.20 118.63 1x50 s ILE 158 Ca 0.10 -2.50 -0.31 0.00 0.00 0.00 0.00 60.65 57.93 1x50 s ILE 158 Cb -0.09 -3.50 -0.11 0.00 0.01 0.00 0.00 42.46 38.77 1x50 s ILE 158 CO -0.01 -0.82 1.82 -1.54 0.00 0.00 0.00 174.94 174.40 1x50 n SER 159 N 4.04 4.00 0.00 3.58 3.41 -1.18 -4.81 113.62 122.66 1x50 n SER 159 Ca 0.03 1.00 0.00 0.00 -0.26 0.00 0.00 58.87 59.64 1x50 n SER 159 Cb 0.40 -1.54 0.00 0.00 -0.26 0.00 0.00 64.21 62.81 1x50 n SER 159 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1x50 n GLY 160 N 4.19 -0.19 3.77 5.00 0.00 -1.26 -3.66 105.19 113.04 1x50 n GLY 160 Ca 0.18 -1.52 -0.33 0.00 0.00 0.00 0.00 46.02 44.35 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 -2.00 2.81 0.06 1.61 0.04 -1.26 -5.01 135.00 131.25 1x50 s PRO 161 Ca 0.00 1.40 -0.01 0.00 0.04 0.00 0.00 61.00 62.43 1x50 s PRO 161 Cb 0.00 -1.95 -0.00 0.00 0.04 0.00 0.00 34.50 32.59 1x50 s PRO 161 CO 0.00 -1.24 -0.01 0.43 0.04 0.00 0.00 177.00 176.21 1x50 n SER 162 N -2.39 0.83 -4.45 6.66 7.64 -1.26 -4.83 113.62 115.82 1x50 n SER 162 Ca 0.10 0.11 -0.43 0.00 1.01 0.00 0.00 58.87 59.66 1x50 n SER 162 Cb 0.52 -0.26 -0.03 0.00 -1.01 0.00 0.00 64.21 63.43 1x50 n SER 162 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 1x50 s SER 163 N -5.73 6.34 0.00 6.43 0.15 -1.26 -4.99 113.70 114.65 1x50 s SER 163 Ca -0.01 -1.40 0.00 0.00 0.70 0.00 0.00 55.95 55.24 1x50 s SER 163 Cb 0.00 -2.41 0.00 0.00 -1.71 0.00 0.00 66.02 61.90 1x50 s SER 163 CO 0.02 -1.30 0.00 0.61 1.20 0.00 0.00 173.24 173.77