#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2a55 s ASN 1 N 0.00 7.11 0.74 7.83 -0.87 -1.26 -3.60 114.94 124.89 2a55 s ASN 1 Ca 0.00 2.01 0.00 0.00 -1.57 0.00 0.00 52.86 53.30 2a55 s ASN 1 Cb 0.00 -2.59 0.14 0.00 -0.02 0.00 0.00 41.25 38.78 2a55 s ASN 1 CO 0.00 -0.24 1.00 0.00 -2.57 0.00 0.00 177.10 175.29 2a55 s GLY 3 N -5.13 1.63 0.05 0.00 0.00 -1.26 -4.25 107.32 98.36 2a55 s GLY 3 Ca 0.67 -0.63 -0.38 0.00 0.00 0.00 0.00 44.72 44.38 2a55 s GLY 3 CO 0.44 -0.28 1.14 -1.05 0.00 0.00 0.00 173.10 173.35 2a55 n PRO 4 N -2.84 0.47 -1.63 2.90 -0.02 -1.25 -4.79 135.00 127.84 2a55 n PRO 4 Ca 0.06 0.17 -0.52 0.00 -2.02 0.00 0.00 63.50 61.19 2a55 n PRO 4 Cb 0.58 -1.69 -0.06 0.00 -0.02 0.00 0.00 33.50 32.31 2a55 n PRO 4 CO 0.00 0.00 0.00 -2.30 1.98 0.00 0.00 175.50 175.18 2a55 n PRO 5 N 1.84 1.34 -1.82 0.52 -0.02 -1.26 -4.98 135.00 130.62 2a55 n PRO 5 Ca 0.19 0.49 -0.30 0.00 -2.02 0.00 0.00 63.50 61.85 2a55 n PRO 5 Cb 0.14 -2.17 0.22 0.00 -0.02 0.00 0.00 33.50 31.67 2a55 n PRO 5 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 2a55 s PRO 6 N 1.41 0.04 -0.16 0.52 0.04 -1.26 -5.07 135.00 130.53 2a55 s PRO 6 Ca 0.87 -0.49 -0.09 0.00 0.04 0.00 0.00 61.00 61.33 2a55 s PRO 6 Cb -0.93 -1.78 -0.05 0.00 0.04 0.00 0.00 34.50 31.78 2a55 s PRO 6 CO 0.50 -2.80 0.15 -0.08 0.04 0.00 0.00 177.00 174.81 2a55 s THR 7 N -3.84 5.43 0.38 1.26 -1.32 -1.26 -4.97 115.64 111.33 2a55 s THR 7 Ca 0.76 0.23 0.04 0.00 -1.21 0.00 0.00 61.69 61.52 2a55 s THR 7 Cb -0.03 -3.46 0.04 0.00 -1.51 0.00 0.00 72.50 67.55 2a55 s THR 7 CO 0.54 0.51 0.35 0.18 -2.21 0.00 0.00 174.62 173.99 2a55 n LEU 8 N 2.88 0.00 0.00 9.08 4.77 -1.25 -5.11 117.00 127.37 2a55 n LEU 8 Ca -0.17 -1.89 0.00 0.00 -0.03 0.00 0.00 56.01 53.92 2a55 n LEU 8 Cb 0.53 -0.10 0.00 0.00 -2.33 0.00 0.00 43.42 41.53 2a55 n LEU 8 CO 0.35 -0.52 0.00 -0.24 -1.33 0.00 0.00 177.39 175.64 2a55 n SER 9 N -2.06 0.00 0.00 -1.43 2.88 -1.26 -4.63 113.62 107.12 2a55 n SER 9 Ca 0.02 0.00 0.02 0.00 -1.33 0.00 0.00 58.87 57.58 2a55 n SER 9 Cb 0.42 -0.17 0.10 0.00 -0.75 0.00 0.00 64.21 63.81 2a55 n SER 9 CO 0.00 0.00 0.00 0.49 -1.23 0.00 0.00 175.04 174.30 2a55 n PHE 10 N -2.25 0.00 -3.73 0.66 3.01 -1.26 -4.59 117.46 109.31 2a55 n PHE 10 Ca 0.00 0.00 -0.12 0.00 1.01 0.00 0.00 57.45 58.34 2a55 n PHE 10 Cb 0.00 -0.15 -0.07 0.00 -0.01 0.00 0.00 39.48 39.25 2a55 n PHE 10 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 2a55 s ALA 11 N -2.29 -0.76 0.05 4.37 0.00 -1.26 -2.04 121.76 119.83 2a55 s ALA 11 Ca 0.04 0.07 -0.00 0.00 0.00 0.00 0.00 51.96 52.07 2a55 s ALA 11 Cb 0.02 0.33 -0.04 0.00 0.00 0.00 0.00 23.12 23.44 2a55 s ALA 11 CO 0.05 -0.43 -0.04 0.00 0.00 0.00 0.00 175.76 175.35 2a55 s ALA 12 N -2.56 0.51 0.29 0.00 0.00 -1.17 -3.87 121.76 114.97 2a55 s ALA 12 Ca -0.05 -1.13 -0.26 0.00 0.00 0.00 0.00 51.96 50.53 2a55 s ALA 12 Cb -0.01 0.23 -0.15 0.00 0.00 0.00 0.00 23.12 23.19 2a55 s ALA 12 CO -0.03 -0.31 0.56 -2.30 0.00 0.00 0.00 175.76 173.68 2a55 n PRO 13 N 0.34 0.40 0.00 0.00 -0.02 -1.26 0.69 135.00 135.16 2a55 n PRO 13 Ca -0.15 0.14 0.00 0.00 -2.02 0.00 0.00 63.50 61.47 2a55 n PRO 13 Cb 0.60 -1.28 0.00 0.00 -0.02 0.00 0.00 33.50 32.80 2a55 n PRO 13 CO 0.00 0.00 0.00 -0.12 1.98 0.00 0.00 175.50 177.36 2a55 n MET 14 N 0.91 0.00 -2.74 -0.52 1.56 -1.26 -4.15 117.12 110.92 2a55 n MET 14 Ca 0.14 0.00 -0.08 0.00 -0.27 0.00 0.00 57.70 57.49 2a55 n MET 14 Cb 0.32 -0.28 0.06 0.00 2.15 0.00 0.00 33.22 35.46 2a55 n MET 14 CO 0.00 0.00 0.00 -3.47 -0.73 0.00 0.00 175.97 171.77 2a55 n ASP 15 N -2.38 -2.75 -1.03 6.12 2.03 -1.26 -4.90 116.55 112.38 2a55 n ASP 15 Ca 0.00 -3.32 0.12 0.00 0.52 0.00 0.00 54.79 52.10 2a55 n ASP 15 Cb 0.14 1.82 0.24 0.00 -0.72 0.00 0.00 41.12 42.59 2a55 n ASP 15 CO 0.00 0.00 0.00 2.30 -1.92 0.00 0.00 177.20 177.58 2a55 n ILE 16 N 1.40 0.42 -3.03 5.18 -5.35 -1.26 -4.33 119.36 112.39 2a55 n ILE 16 Ca 0.08 -0.66 -0.00 0.00 -0.27 0.00 0.00 62.75 61.90 2a55 n ILE 16 Cb 0.65 0.90 -0.00 0.00 -1.74 0.00 0.00 39.64 39.44 2a55 n ILE 16 CO 0.00 0.00 0.00 0.35 -1.76 0.00 0.00 176.55 175.14 2a55 n THR 17 N 1.27 -5.34 -2.07 7.28 -2.24 -1.26 -4.70 114.28 107.22 2a55 n THR 17 Ca 0.18 0.95 -0.28 0.00 -2.27 0.00 0.00 64.05 62.64 2a55 n THR 17 Cb 0.56 -4.30 -0.06 0.00 -2.10 0.00 0.00 70.33 64.43 2a55 n THR 17 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 2a55 s LEU 18 N -1.18 3.06 0.00 3.22 2.01 -1.26 -3.93 118.68 120.60 2a55 s LEU 18 Ca -0.00 -1.65 0.00 0.00 0.01 0.00 0.00 54.13 52.49 2a55 s LEU 18 Cb 0.00 -2.59 0.00 0.00 0.01 0.00 0.00 46.19 43.61 2a55 s LEU 18 CO 0.26 -3.07 0.00 0.35 1.01 0.00 0.00 176.35 174.90 2a55 n THR 19 N 7.80 0.00 -4.76 5.49 -2.24 -1.26 -5.09 114.28 114.22 2a55 n THR 19 Ca 0.45 0.00 -0.26 0.00 -2.27 0.00 0.00 64.05 61.97 2a55 n THR 19 Cb 0.47 0.19 -0.16 0.00 -2.10 0.00 0.00 70.33 68.73 2a55 n THR 19 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 2a55 s GLU 20 N 0.00 1.77 0.43 -0.78 0.41 -1.25 -5.01 118.70 114.27 2a55 s GLU 20 Ca 0.00 -0.55 0.24 0.00 -0.41 0.00 0.00 54.97 54.25 2a55 s GLU 20 Cb 0.00 -1.50 0.62 0.00 -1.78 0.00 0.00 34.13 31.46 2a55 s GLU 20 CO 0.00 0.17 1.70 1.79 -0.49 0.00 0.00 175.26 178.43 2a55 h THR 21 N 5.47 0.28 -2.17 3.63 1.35 -1.98 -3.45 112.91 116.03 2a55 h THR 21 Ca -0.31 -1.16 -0.59 0.00 -0.55 0.00 0.00 66.41 63.80 2a55 h THR 21 Cb 1.18 1.93 -0.14 0.00 -1.73 0.00 0.00 68.15 69.40 2a55 h THR 21 CO 0.48 0.14 -0.71 -0.13 -0.25 0.00 0.00 175.52 175.05 2a55 s ARG 22 N -3.34 1.71 -0.15 4.72 0.52 -1.26 -3.84 118.95 117.30 2a55 s ARG 22 Ca 0.04 -1.85 -0.04 0.00 -0.52 0.00 0.00 55.73 53.36 2a55 s ARG 22 Cb 0.07 -1.61 0.07 0.00 0.52 0.00 0.00 34.95 34.00 2a55 s ARG 22 CO 0.65 0.18 0.20 -0.06 0.02 0.00 0.00 175.30 176.30 2a55 s PHE 23 N -2.66 -0.25 1.17 -0.53 0.40 -1.26 -4.97 117.98 109.88 2a55 s PHE 23 Ca 0.31 0.43 -0.17 0.00 -0.60 0.00 0.00 56.93 56.90 2a55 s PHE 23 Cb 0.00 -0.29 0.20 0.00 0.51 0.00 0.00 43.02 43.44 2a55 s PHE 23 CO 0.15 -0.46 0.37 0.36 0.70 0.00 0.00 175.22 176.34 2a55 n LYS 24 N 5.32 -2.45 0.06 0.44 2.85 -1.26 -2.92 118.16 120.20 2a55 n LYS 24 Ca -0.05 -0.71 0.11 0.00 -1.05 0.00 0.00 58.31 56.60 2a55 n LYS 24 Cb 0.50 -1.75 0.44 0.00 -0.65 0.00 0.00 35.03 33.56 2a55 n LYS 24 CO 0.00 0.00 0.00 0.25 -0.05 0.00 0.00 177.40 177.60 2a55 n THR 25 N -4.76 0.70 0.94 0.58 -2.24 -1.24 -2.39 114.28 105.88 2a55 n THR 25 Ca 0.04 0.11 0.11 0.00 -2.27 0.00 0.00 64.05 62.04 2a55 n THR 25 Cb 0.55 -0.89 0.04 0.00 -2.10 0.00 0.00 70.33 67.92 2a55 n THR 25 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2a55 n GLY 26 N 0.49 -1.12 3.68 3.38 0.00 -1.26 -3.96 105.19 106.40 2a55 n GLY 26 Ca 0.04 -0.48 -0.30 0.00 0.00 0.00 0.00 46.02 45.28 2a55 n GLY 26 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 2a55 s THR 27 N -3.03 2.47 -0.29 2.61 -1.32 -1.00 -4.97 115.64 110.11 2a55 s THR 27 Ca 0.08 0.15 -0.13 0.00 -1.21 0.00 0.00 61.69 60.59 2a55 s THR 27 Cb 0.16 -2.55 0.12 0.00 -1.51 0.00 0.00 72.50 68.72 2a55 s THR 27 CO 0.80 -0.20 0.72 -0.89 -2.21 0.00 0.00 174.62 172.84 2a55 s THR 28 N -2.86 -0.58 0.00 5.08 2.01 -1.26 -3.96 115.64 114.07 2a55 s THR 28 Ca 0.64 0.00 0.00 0.00 0.31 0.00 0.00 61.69 62.64 2a55 s THR 28 Cb -0.19 -1.00 0.00 0.00 0.01 0.00 0.00 72.50 71.32 2a55 s THR 28 CO 0.58 0.00 0.00 0.18 -0.69 0.00 0.00 174.62 174.69 2a55 n LEU 29 N 4.95 0.00 0.02 4.42 4.32 -1.06 -4.96 117.00 124.69 2a55 n LEU 29 Ca -0.14 0.00 0.00 0.00 -0.02 0.00 0.00 56.01 55.85 2a55 n LEU 29 Cb 0.53 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 42.33 2a55 n LEU 29 CO -0.03 -0.32 0.00 1.17 -1.22 0.00 0.00 177.39 176.99 2a55 n LYS 30 N -0.64 0.00 -1.45 3.23 3.00 -1.26 -4.43 118.16 116.62 2a55 n LYS 30 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.31 2a55 n LYS 30 Cb 0.00 -0.16 0.00 0.00 0.00 0.00 0.00 35.03 34.87 2a55 n LYS 30 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.40 178.06 2a55 n TYR 31 N -2.83 -3.27 -3.25 5.64 4.02 -1.26 -4.44 117.16 111.77 2a55 n TYR 31 Ca 0.00 1.90 -0.46 0.00 -0.01 0.00 0.00 57.90 59.33 2a55 n TYR 31 Cb 0.00 -3.08 -0.04 0.00 -0.02 0.00 0.00 39.34 36.21 2a55 n TYR 31 CO 0.00 0.00 0.00 -0.08 -1.01 0.00 0.00 176.86 175.77 2a55 s THR 32 N -0.72 5.24 -0.01 -0.72 -1.32 0.22 -4.79 115.64 113.54 2a55 s THR 32 Ca 0.00 -1.77 -0.34 0.00 -1.21 0.00 0.00 61.69 58.37 2a55 s THR 32 Cb 0.00 -4.45 -0.13 0.00 -1.51 0.00 0.00 72.50 66.41 2a55 s THR 32 CO 0.00 -1.03 1.76 0.00 -2.21 0.00 0.00 174.62 173.14 2a55 n LEU 34 N 5.41 0.30 0.27 0.00 4.77 -0.87 -4.69 117.00 122.20 2a55 n LEU 34 Ca 0.21 0.94 0.01 0.00 -0.03 0.00 0.00 56.01 57.14 2a55 n LEU 34 Cb 0.28 -0.73 0.06 0.00 -2.33 0.00 0.00 43.42 40.71 2a55 n LEU 34 CO 0.70 -1.26 0.92 -0.65 -1.33 0.00 0.00 177.39 175.77 2a55 h PRO 35 N 2.91 0.00 -0.00 3.23 0.11 -1.91 0.47 132.00 136.81 2a55 h PRO 35 Ca -0.39 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.72 2a55 h PRO 35 Cb 1.13 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.24 2a55 h PRO 35 CO 0.60 0.00 -0.00 0.41 -0.21 0.00 0.00 178.00 178.80 2a55 n GLY 36 N -1.40 -0.92 3.88 -0.55 0.00 -1.26 -4.83 105.19 100.10 2a55 n GLY 36 Ca -0.00 -0.22 -0.32 0.00 0.00 0.00 0.00 46.02 45.48 2a55 n GLY 36 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 2a55 s TYR 37 N -2.00 3.43 0.00 1.61 1.13 0.15 -3.61 117.35 118.07 2a55 s TYR 37 Ca 0.47 0.84 0.00 0.00 -1.41 0.00 0.00 57.07 56.97 2a55 s TYR 37 Cb 0.22 -2.24 0.00 0.00 -1.10 0.00 0.00 41.96 38.84 2a55 s TYR 37 CO 0.37 0.27 0.00 1.33 -2.51 0.00 0.00 175.55 175.01 2a55 n VAL 38 N -0.17 0.00 -4.44 -3.49 0.24 -0.54 -4.90 118.33 105.02 2a55 n VAL 38 Ca 0.00 0.00 -0.22 0.00 -2.04 0.00 0.00 64.34 62.08 2a55 n VAL 38 Cb 0.52 -0.08 -0.16 0.00 -1.47 0.00 0.00 33.84 32.66 2a55 n VAL 38 CO 0.00 0.00 0.00 -0.13 -2.14 0.00 0.00 176.83 174.56 2a55 s ARG 39 N 2.48 1.28 0.00 7.34 0.52 -1.26 -3.87 118.95 125.44 2a55 s ARG 39 Ca 0.00 -0.32 0.00 0.00 -0.52 0.00 0.00 55.73 54.89 2a55 s ARG 39 Cb 0.00 -1.13 0.00 0.00 0.52 0.00 0.00 34.95 34.34 2a55 s ARG 39 CO 0.00 0.04 0.00 0.45 0.02 0.00 0.00 175.30 175.81 2a55 n SER 40 N 3.68 0.00 0.00 0.23 2.88 -1.26 -4.87 113.62 114.28 2a55 n SER 40 Ca -0.22 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.32 2a55 n SER 40 Cb 0.52 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.98 2a55 n SER 40 CO 0.00 0.00 0.00 1.41 -1.23 0.00 0.00 175.04 175.22 2a55 n HIS 41 N -0.27 0.00 0.00 0.66 8.25 -1.26 -5.02 115.22 117.58 2a55 n HIS 41 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.46 2a55 n HIS 41 Cb 0.00 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.11 2a55 n HIS 41 CO 0.00 0.00 0.00 0.43 0.64 0.00 0.00 176.34 177.41 2a55 n SER 42 N -0.59 0.00 -4.72 0.41 7.64 -1.26 -4.95 113.62 110.16 2a55 n SER 42 Ca 0.00 0.00 -0.34 0.00 1.01 0.00 0.00 58.87 59.54 2a55 n SER 42 Cb 0.05 -0.96 0.10 0.00 -1.01 0.00 0.00 64.21 62.39 2a55 n SER 42 CO 0.00 0.00 0.00 0.42 -3.01 0.00 0.00 175.04 172.45 2a55 s THR 43 N -1.68 2.20 -0.32 0.44 -4.23 -1.26 -4.83 115.64 105.95 2a55 s THR 43 Ca 0.00 0.10 -0.07 0.00 -1.18 0.00 0.00 61.69 60.53 2a55 s THR 43 Cb 0.00 -2.70 0.23 0.00 1.34 0.00 0.00 72.50 71.37 2a55 s THR 43 CO 0.00 -0.05 1.17 0.00 -0.54 0.00 0.00 174.62 175.20 2a55 n GLN 44 N -2.72 0.05 -3.67 3.99 10.64 -1.26 -1.28 117.38 123.14 2a55 n GLN 44 Ca 0.14 -0.64 -0.15 0.00 -1.83 0.00 0.00 57.00 54.52 2a55 n GLN 44 Cb 0.50 0.23 -0.08 0.00 -0.86 0.00 0.00 30.24 30.03 2a55 n GLN 44 CO 0.00 0.00 0.00 0.95 -1.83 0.00 0.00 177.06 176.18 2a55 s THR 45 N 0.82 0.02 -0.29 -0.39 -4.23 -1.26 -4.73 115.64 105.58 2a55 s THR 45 Ca 0.23 -0.18 0.02 0.00 -1.18 0.00 0.00 61.69 60.58 2a55 s THR 45 Cb 0.16 -0.77 0.06 0.00 1.34 0.00 0.00 72.50 73.29 2a55 s THR 45 CO -0.11 -0.10 -0.05 -0.76 -0.54 0.00 0.00 174.62 173.07 2a55 s LEU 46 N -0.78 3.79 0.05 4.79 1.02 -1.26 -4.71 118.68 121.58 2a55 s LEU 46 Ca -0.08 -1.47 0.05 0.00 0.02 0.00 0.00 54.13 52.65 2a55 s LEU 46 Cb -0.03 -1.62 -0.04 0.00 0.02 0.00 0.00 46.19 44.53 2a55 s LEU 46 CO 0.05 -0.24 -0.09 -0.89 0.02 0.00 0.00 176.35 175.20 2a55 s THR 47 N 1.12 3.45 -0.22 5.49 2.01 -1.25 -2.57 115.64 123.68 2a55 s THR 47 Ca -0.05 -1.02 -0.29 0.00 0.31 0.00 0.00 61.69 60.63 2a55 s THR 47 Cb -0.20 -2.55 0.01 0.00 0.01 0.00 0.00 72.50 69.77 2a55 s THR 47 CO -0.04 0.27 1.05 0.00 -0.69 0.00 0.00 174.62 175.21 2a55 s ASN 49 N 1.24 5.09 -1.45 0.00 2.20 -1.17 -4.22 114.94 116.64 2a55 s ASN 49 Ca 0.45 -0.86 -0.10 0.00 -0.94 0.00 0.00 52.86 51.41 2a55 s ASN 49 Cb -0.16 0.25 0.04 0.00 -2.00 0.00 0.00 41.25 39.38 2a55 s ASN 49 CO 0.07 -1.28 2.42 -0.24 -2.94 0.00 0.00 177.10 175.14 2a55 n SER 50 N -2.17 6.60 0.00 3.54 2.88 -1.26 -3.30 113.62 119.91 2a55 n SER 50 Ca 0.14 -2.88 0.00 0.00 -1.33 0.00 0.00 58.87 54.80 2a55 n SER 50 Cb 0.62 -1.52 0.00 0.00 -0.75 0.00 0.00 64.21 62.55 2a55 n SER 50 CO 0.00 0.00 0.00 -0.67 -1.23 0.00 0.00 175.04 173.14 2a55 n ASP 51 N 3.86 0.00 -1.25 -3.46 -0.08 -1.26 -4.99 116.55 109.37 2a55 n ASP 51 Ca 0.60 -1.00 -0.16 0.00 -1.51 0.00 0.00 54.79 52.72 2a55 n ASP 51 Cb 0.30 0.00 -0.07 0.00 2.34 0.00 0.00 41.12 43.69 2a55 n ASP 51 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 2a55 n GLY 52 N 0.00 1.62 3.32 0.27 0.00 -1.21 -4.96 105.19 104.23 2a55 n GLY 52 Ca 0.00 -0.18 -0.17 0.00 0.00 0.00 0.00 46.02 45.67 2a55 n GLY 52 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 2a55 s GLU 53 N -3.36 1.46 -0.35 1.61 -1.05 -1.26 -4.20 118.70 111.55 2a55 s GLU 53 Ca 0.00 -1.81 -0.16 0.00 -0.15 0.00 0.00 54.97 52.86 2a55 s GLU 53 Cb 0.00 -0.19 -0.01 0.00 -0.44 0.00 0.00 34.13 33.49 2a55 s GLU 53 CO 0.00 -0.35 0.38 -1.58 0.95 0.00 0.00 175.26 174.66 2a55 s TRP 54 N -3.72 3.20 0.00 4.83 0.52 -1.26 -3.06 118.94 119.45 2a55 s TRP 54 Ca 0.37 -0.04 -0.07 0.00 0.02 0.00 0.00 56.10 56.38 2a55 s TRP 54 Cb 0.07 -2.71 -0.05 0.00 -1.15 0.00 0.00 33.47 29.63 2a55 s TRP 54 CO 0.15 -0.47 0.26 0.08 0.02 0.00 0.00 176.95 176.99 2a55 s VAL 55 N 2.06 5.31 0.00 4.03 1.01 -1.17 -4.91 120.40 126.72 2a55 s VAL 55 Ca 0.12 0.19 0.00 0.00 0.00 0.00 0.00 61.98 62.29 2a55 s VAL 55 Cb -0.17 -3.56 0.00 0.00 0.00 0.00 0.00 36.38 32.65 2a55 s VAL 55 CO 0.12 0.39 0.00 0.00 0.00 0.00 0.00 175.10 175.61 2a55 n TYR 56 N 1.19 0.00 -1.91 5.22 0.18 -1.26 -3.76 117.16 116.82 2a55 n TYR 56 Ca -0.12 0.00 0.00 0.00 1.88 0.00 0.00 57.90 59.66 2a55 n TYR 56 Cb 0.53 0.00 0.00 0.00 -0.38 0.00 0.00 39.34 39.49 2a55 n TYR 56 CO 0.00 0.00 0.00 0.09 -2.08 0.00 0.00 176.86 174.87 2a55 n ASN 57 N 0.00 -1.49 -4.45 9.48 5.03 -1.26 -3.74 115.26 118.83 2a55 n ASN 57 Ca 0.00 0.00 -0.44 0.00 0.87 0.00 0.00 54.58 55.01 2a55 n ASN 57 Cb 0.00 0.00 -0.02 0.00 -1.02 0.00 0.00 39.78 38.74 2a55 n ASN 57 CO 0.00 0.00 0.00 -0.89 -1.83 0.00 0.00 177.26 174.54 2a55 s THR 58 N 0.00 4.80 0.00 3.41 2.01 -1.26 -4.97 115.64 119.64 2a55 s THR 58 Ca 0.00 -1.81 0.00 0.00 0.31 0.00 0.00 61.69 60.19 2a55 s THR 58 Cb 0.00 -4.80 0.00 0.00 0.01 0.00 0.00 72.50 67.71 2a55 s THR 58 CO 0.00 -1.52 0.00 2.22 -0.69 0.00 0.00 174.62 174.63 2a55 n PHE 59 N 6.32 0.00 -1.61 4.92 1.16 -1.25 -4.73 117.46 122.28 2a55 n PHE 59 Ca 0.26 0.00 -0.62 0.00 -1.87 0.00 0.00 57.45 55.22 2a55 n PHE 59 Cb 0.48 0.00 -0.09 0.00 -1.61 0.00 0.00 39.48 38.26 2a55 n PHE 59 CO 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 176.76 174.89 2a55 s ILE 61 N 1.28 4.62 -0.41 0.00 2.07 -1.25 -4.93 121.20 122.59 2a55 s ILE 61 Ca 0.96 -1.32 -0.29 0.00 -1.41 0.00 0.00 60.65 58.60 2a55 s ILE 61 Cb -1.33 -4.77 0.01 0.00 0.13 0.00 0.00 42.46 36.50 2a55 s ILE 61 CO 0.66 -1.51 1.30 -0.47 -1.91 0.00 0.00 174.94 173.01 2a55 s TYR 62 N 3.03 2.60 -0.29 3.50 6.14 -1.26 -1.47 117.35 129.60 2a55 s TYR 62 Ca 0.31 0.74 -0.14 0.00 0.64 0.00 0.00 57.07 58.62 2a55 s TYR 62 Cb -0.07 -4.25 0.10 0.00 0.42 0.00 0.00 41.96 38.16 2a55 s TYR 62 CO -0.06 -1.68 0.70 -1.59 0.64 0.00 0.00 175.55 173.55 2a55 s LYS 63 N 4.62 0.64 0.00 4.97 -2.85 -1.24 -4.94 119.74 120.94 2a55 s LYS 63 Ca 0.56 1.27 0.00 0.00 -1.00 0.00 0.00 55.97 56.80 2a55 s LYS 63 Cb -0.12 0.40 0.00 0.00 -2.06 0.00 0.00 37.83 36.05 2a55 s LYS 63 CO 0.30 -0.16 0.00 0.54 0.10 0.00 0.00 175.35 176.13 2a55 n ARG 64 N 4.70 1.75 -4.57 1.78 1.74 -1.26 -2.26 116.66 118.54 2a55 n ARG 64 Ca -0.17 0.00 -0.24 0.00 -0.77 0.00 0.00 57.85 56.67 2a55 n ARG 64 Cb 0.55 0.00 -0.16 0.00 -1.02 0.00 0.00 32.46 31.83 2a55 n ARG 64 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2a55 n ARG 66 N 3.66 2.08 -1.93 0.00 3.00 -1.26 -4.73 116.66 117.48 2a55 n ARG 66 Ca -0.22 0.74 -0.42 0.00 -0.00 0.00 0.00 57.85 57.95 2a55 n ARG 66 Cb 0.52 -2.42 -0.03 0.00 0.00 0.00 0.00 32.46 30.53 2a55 n ARG 66 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.63 176.05 2a55 s HIS 67 N -1.17 1.81 0.16 -0.14 5.65 -1.26 -4.82 115.29 115.51 2a55 s HIS 67 Ca 0.59 0.08 0.18 0.00 0.25 0.00 0.00 55.06 56.16 2a55 s HIS 67 Cb -0.51 -3.99 0.99 0.00 -1.18 0.00 0.00 32.58 27.88 2a55 s HIS 67 CO 0.60 -4.17 1.49 -1.00 -0.65 0.00 0.00 174.74 171.00 2a55 h PRO 68 N 10.03 0.00 0.00 2.88 0.13 -1.96 -3.46 132.00 139.61 2a55 h PRO 68 Ca -0.41 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.72 2a55 h PRO 68 Cb 1.19 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.32 2a55 h PRO 68 CO 0.95 0.00 0.00 0.41 -0.23 0.00 0.00 178.00 179.13 2a55 n GLY 69 N -1.26 0.01 2.24 1.56 0.00 -1.26 -4.76 105.19 101.72 2a55 n GLY 69 Ca -0.01 -1.60 -0.31 0.00 0.00 0.00 0.00 46.02 44.10 2a55 n GLY 69 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 2a55 n GLU 70 N 0.37 0.00 -3.41 1.61 2.13 -1.26 -4.74 120.64 115.34 2a55 n GLU 70 Ca 0.00 0.00 -0.44 0.00 0.66 0.00 0.00 57.16 57.38 2a55 n GLU 70 Cb 0.00 -0.66 -0.07 0.00 0.27 0.00 0.00 31.44 30.98 2a55 n GLU 70 CO 0.00 0.00 0.00 -1.17 -0.41 0.00 0.00 177.13 175.55 2a55 s LEU 71 N 2.11 5.82 0.12 4.31 2.96 -1.26 -4.93 118.68 127.80 2a55 s LEU 71 Ca 0.42 -1.65 -0.31 0.00 -0.22 0.00 0.00 54.13 52.37 2a55 s LEU 71 Cb -0.59 -2.14 -0.10 0.00 0.50 0.00 0.00 46.19 43.87 2a55 s LEU 71 CO 0.38 -0.73 1.70 -0.60 -1.32 0.00 0.00 176.35 175.78 2a55 s ARG 72 N 1.54 4.17 0.00 1.98 3.52 -1.26 0.18 118.95 129.09 2a55 s ARG 72 Ca 0.04 2.45 0.00 0.00 -0.13 0.00 0.00 55.73 58.09 2a55 s ARG 72 Cb -0.27 -3.47 0.00 0.00 -1.56 0.00 0.00 34.95 29.65 2a55 s ARG 72 CO 0.03 -0.75 0.00 0.09 -0.81 0.00 0.00 175.30 173.86 2a55 n ASN 73 N 5.20 -2.86 -2.42 -2.12 5.03 -1.26 -4.57 115.26 112.25 2a55 n ASN 73 Ca 0.16 0.00 -0.11 0.00 0.87 0.00 0.00 54.58 55.50 2a55 n ASN 73 Cb 0.39 -0.79 -0.04 0.00 -1.02 0.00 0.00 39.78 38.32 2a55 n ASN 73 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 2a55 n GLY 74 N -2.42 3.57 2.43 7.41 0.00 0.13 -0.74 105.19 115.56 2a55 n GLY 74 Ca 0.00 -1.90 -0.28 0.00 0.00 0.00 0.00 46.02 43.84 2a55 n GLY 74 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2a55 s GLN 75 N -2.74 0.74 -0.35 1.61 2.00 -0.30 -4.62 119.66 115.99 2a55 s GLN 75 Ca 0.15 -1.73 -0.38 0.00 -2.00 0.00 0.00 55.36 51.40 2a55 s GLN 75 Cb 0.01 -1.37 -0.14 0.00 0.80 0.00 0.00 33.01 32.31 2a55 s GLN 75 CO 0.11 -1.30 2.05 0.28 -0.50 0.00 0.00 175.29 175.92 2a55 n VAL 76 N 3.43 0.20 -2.50 1.34 0.31 -1.26 -3.83 118.33 116.01 2a55 n VAL 76 Ca 0.21 -0.15 -0.41 0.00 -0.01 0.00 0.00 64.34 63.98 2a55 n VAL 76 Cb 0.43 -1.32 -0.03 0.00 -0.91 0.00 0.00 33.84 32.00 2a55 n VAL 76 CO 0.00 0.00 0.00 -0.70 -1.32 0.00 0.00 176.83 174.81 2a55 s GLU 77 N 5.37 3.15 0.20 5.55 2.56 -0.13 -4.98 118.70 130.43 2a55 s GLU 77 Ca 1.08 -0.21 0.11 0.00 0.00 0.00 0.00 54.97 55.95 2a55 s GLU 77 Cb -1.03 -4.27 -0.04 0.00 2.00 0.00 0.00 34.13 30.78 2a55 s GLU 77 CO 0.57 -2.22 -0.22 0.42 -0.56 0.00 0.00 175.26 173.25 2a55 s ILE 78 N 6.04 2.27 0.00 -3.70 1.09 -1.26 -3.96 121.20 121.67 2a55 s ILE 78 Ca 0.39 -2.06 0.00 0.00 -1.10 0.00 0.00 60.65 57.88 2a55 s ILE 78 Cb -0.08 -2.09 0.00 0.00 -1.06 0.00 0.00 42.46 39.23 2a55 s ILE 78 CO 0.14 -0.19 0.00 2.29 -0.10 0.00 0.00 174.94 177.08 2a55 n LYS 79 N 0.16 0.00 0.00 2.79 0.00 -1.26 -4.94 118.16 114.91 2a55 n LYS 79 Ca -0.12 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.19 2a55 n LYS 79 Cb 0.57 0.00 0.00 0.00 -0.00 0.00 0.00 35.03 35.60 2a55 n LYS 79 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.40 177.65 2a55 n THR 80 N -1.22 0.00 -1.01 0.58 -2.24 -1.26 -4.79 114.28 104.35 2a55 n THR 80 Ca 0.00 0.00 -0.00 0.00 -2.27 0.00 0.00 64.05 61.78 2a55 n THR 80 Cb 0.00 -0.28 -0.00 0.00 -2.10 0.00 0.00 70.33 67.95 2a55 n THR 80 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 2a55 n ASP 81 N -0.15 -5.90 -2.56 3.42 8.00 -1.26 -1.80 116.55 116.30 2a55 n ASP 81 Ca 0.00 0.01 -0.10 0.00 0.71 0.00 0.00 54.79 55.40 2a55 n ASP 81 Cb 0.12 -3.42 0.05 0.00 -0.02 0.00 0.00 41.12 37.85 2a55 n ASP 81 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 2a55 n LEU 82 N -0.03 -3.70 -4.70 0.64 7.99 -1.26 -4.59 117.00 111.34 2a55 n LEU 82 Ca -0.00 -0.41 -0.37 0.00 -0.01 0.00 0.00 56.01 55.21 2a55 n LEU 82 Cb 0.49 -2.17 -0.07 0.00 -0.11 0.00 0.00 43.42 41.55 2a55 n LEU 82 CO 0.00 0.17 0.09 -0.94 -1.51 0.00 0.00 177.39 175.19 2a55 s SER 83 N -3.60 6.51 0.07 -1.43 1.04 -0.74 0.91 113.70 116.46 2a55 s SER 83 Ca 0.12 0.61 -0.15 0.00 0.48 0.00 0.00 55.95 57.00 2a55 s SER 83 Cb -0.02 -2.23 -0.09 0.00 0.10 0.00 0.00 66.02 63.78 2a55 s SER 83 CO 0.46 0.00 0.33 0.33 0.98 0.00 0.00 173.24 175.35 2a55 n PHE 84 N 3.94 -0.07 -2.01 5.02 7.35 -0.96 -3.45 117.46 127.28 2a55 n PHE 84 Ca -0.09 0.48 -0.00 0.00 -0.76 0.00 0.00 57.45 57.08 2a55 n PHE 84 Cb 0.51 -0.97 0.00 0.00 0.35 0.00 0.00 39.48 39.38 2a55 n PHE 84 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 2a55 n GLY 85 N 0.90 0.44 3.39 7.13 0.00 -0.95 -4.75 105.19 111.34 2a55 n GLY 85 Ca 0.09 -0.45 -0.14 0.00 0.00 0.00 0.00 46.02 45.51 2a55 n GLY 85 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2a55 s SER 86 N -3.03 -0.43 -0.02 1.61 1.04 -1.22 -4.94 113.70 106.69 2a55 s SER 86 Ca 0.00 0.23 0.05 0.00 0.48 0.00 0.00 55.95 56.72 2a55 s SER 86 Cb -0.00 0.48 -0.03 0.00 0.10 0.00 0.00 66.02 66.57 2a55 s SER 86 CO 0.02 -0.67 -0.18 0.00 0.98 0.00 0.00 173.24 173.39 2a55 s GLN 87 N -2.15 2.32 -0.44 4.02 1.03 -1.23 -2.72 119.66 120.49 2a55 s GLN 87 Ca -0.07 -0.81 0.03 0.00 0.04 0.00 0.00 55.36 54.55 2a55 s GLN 87 Cb -0.01 -2.26 0.13 0.00 0.03 0.00 0.00 33.01 30.89 2a55 s GLN 87 CO 0.01 0.59 0.21 0.96 -2.54 0.00 0.00 175.29 174.52 2a55 s ILE 88 N -0.74 1.90 0.90 3.63 -4.36 -1.05 -4.87 121.20 116.61 2a55 s ILE 88 Ca 0.12 -2.69 -0.12 0.00 -0.26 0.00 0.00 60.65 57.70 2a55 s ILE 88 Cb -0.10 -2.34 0.10 0.00 1.25 0.00 0.00 42.46 41.36 2a55 s ILE 88 CO 0.01 -0.80 0.91 -0.62 0.24 0.00 0.00 174.94 174.68 2a55 n GLU 89 N 3.61 -0.28 -4.49 0.37 1.02 -1.25 -4.12 120.64 115.49 2a55 n GLU 89 Ca 0.06 -0.02 -0.24 0.00 -0.02 0.00 0.00 57.16 56.94 2a55 n GLU 89 Cb 0.35 -2.21 -0.14 0.00 -0.02 0.00 0.00 31.44 29.43 2a55 n GLU 89 CO 0.00 0.00 0.00 -0.06 1.18 0.00 0.00 177.13 178.25 2a55 s PHE 90 N -2.46 1.63 -0.11 -0.32 0.40 -1.17 -0.95 117.98 115.00 2a55 s PHE 90 Ca 0.65 -0.38 -0.01 0.00 -0.60 0.00 0.00 56.93 56.59 2a55 s PHE 90 Cb -0.24 -0.96 0.03 0.00 0.51 0.00 0.00 43.02 42.36 2a55 s PHE 90 CO 0.60 0.09 -0.07 -1.12 0.70 0.00 0.00 175.22 175.43 2a55 s SER 91 N -1.30 2.12 -0.28 1.36 0.01 -1.25 -4.91 113.70 109.44 2a55 s SER 91 Ca 0.05 -0.28 -0.24 0.00 1.31 0.00 0.00 55.95 56.79 2a55 s SER 91 Cb -0.09 -0.80 -0.00 0.00 0.21 0.00 0.00 66.02 65.35 2a55 s SER 91 CO 0.02 -0.13 0.81 0.00 0.41 0.00 0.00 173.24 174.35 2a55 n SER 93 N 6.16 -2.83 -4.35 0.00 7.64 0.08 -4.61 113.62 115.72 2a55 n SER 93 Ca 0.05 -0.02 -0.38 0.00 1.01 0.00 0.00 58.87 59.53 2a55 n SER 93 Cb 0.48 -0.82 0.03 0.00 -1.01 0.00 0.00 64.21 62.89 2a55 n SER 93 CO 0.00 0.00 0.00 1.21 -3.01 0.00 0.00 175.04 173.24 2a55 n GLU 94 N -0.24 0.23 0.00 1.43 2.13 -1.26 -1.37 120.64 121.56 2a55 n GLU 94 Ca 0.00 0.09 0.00 0.00 0.66 0.00 0.00 57.16 57.92 2a55 n GLU 94 Cb 0.65 -1.37 0.00 0.00 0.27 0.00 0.00 31.44 30.99 2a55 n GLU 94 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2a55 n GLY 95 N 2.18 1.42 3.45 8.31 0.00 -1.26 -4.90 105.19 114.39 2a55 n GLY 95 Ca 0.09 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.78 2a55 n GLY 95 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2a55 s PHE 96 N 0.00 2.96 0.43 1.61 0.08 -0.47 0.06 117.98 122.66 2a55 s PHE 96 Ca 0.00 -0.42 0.06 0.00 0.12 0.00 0.00 56.93 56.69 2a55 s PHE 96 Cb 0.00 -1.94 0.01 0.00 -0.57 0.00 0.00 43.02 40.52 2a55 s PHE 96 CO 0.00 -0.11 0.60 -0.59 -0.10 0.00 0.00 175.22 175.02 2a55 s PHE 97 N 0.42 2.91 0.12 0.36 -0.71 -0.59 -3.88 117.98 116.61 2a55 s PHE 97 Ca -0.05 -0.24 -0.18 0.00 -1.04 0.00 0.00 56.93 55.42 2a55 s PHE 97 Cb -0.15 -2.37 -0.07 0.00 -1.21 0.00 0.00 43.02 39.23 2a55 s PHE 97 CO 0.03 -0.42 0.58 -1.17 -1.34 0.00 0.00 175.22 172.91 2a55 s LEU 98 N -4.41 4.44 -0.45 -1.99 0.20 -1.26 -3.20 118.68 112.01 2a55 s LEU 98 Ca 0.53 1.22 0.07 0.00 0.69 0.00 0.00 54.13 56.64 2a55 s LEU 98 Cb -0.10 -3.11 0.18 0.00 -0.43 0.00 0.00 46.19 42.73 2a55 s LEU 98 CO 0.34 0.19 0.65 -0.63 -0.29 0.00 0.00 176.35 176.60 2a55 s ILE 99 N -1.29 -0.92 0.00 6.68 1.01 -0.99 -4.97 121.20 120.73 2a55 s ILE 99 Ca 0.34 -0.54 0.00 0.00 0.00 0.00 0.00 60.65 60.45 2a55 s ILE 99 Cb -0.18 -0.08 0.00 0.00 0.01 0.00 0.00 42.46 42.22 2a55 s ILE 99 CO 0.19 -0.07 0.00 0.61 0.00 0.00 0.00 174.94 175.67 2a55 n GLY 100 N 3.77 0.00 2.33 6.18 0.00 -1.26 -1.07 105.19 115.14 2a55 n GLY 100 Ca 0.14 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.14 2a55 n GLY 100 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2a55 n SER 101 N 0.00 -5.14 0.00 1.61 2.88 -1.26 -4.46 113.62 107.25 2a55 n SER 101 Ca 0.00 1.48 0.05 0.00 -1.33 0.00 0.00 58.87 59.06 2a55 n SER 101 Cb 0.00 -4.82 0.25 0.00 -0.75 0.00 0.00 64.21 58.89 2a55 n SER 101 CO 0.00 0.00 0.00 0.35 -1.23 0.00 0.00 175.04 174.16 2a55 n THR 102 N 1.60 0.39 -4.43 2.46 -2.24 -1.26 -4.65 114.28 106.15 2a55 n THR 102 Ca -0.17 0.10 -0.22 0.00 -2.27 0.00 0.00 64.05 61.48 2a55 n THR 102 Cb 0.26 -0.95 -0.10 0.00 -2.10 0.00 0.00 70.33 67.44 2a55 n THR 102 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 2a55 s THR 103 N -2.27 2.24 -0.18 4.28 -4.23 -1.26 -3.07 115.64 111.15 2a55 s THR 103 Ca 0.11 -2.34 -0.04 0.00 -1.18 0.00 0.00 61.69 58.25 2a55 s THR 103 Cb 0.06 -2.21 0.09 0.00 1.34 0.00 0.00 72.50 71.78 2a55 s THR 103 CO 0.12 -0.45 0.28 -0.55 -0.54 0.00 0.00 174.62 173.48 2a55 s SER 104 N -3.42 0.61 -0.00 3.99 0.15 -1.26 -4.88 113.70 108.89 2a55 s SER 104 Ca 0.27 0.29 -0.02 0.00 0.70 0.00 0.00 55.95 57.19 2a55 s SER 104 Cb -0.04 0.73 -0.04 0.00 -1.71 0.00 0.00 66.02 64.96 2a55 s SER 104 CO 0.12 -0.28 0.17 -0.13 1.20 0.00 0.00 173.24 174.32 2a55 s ARG 105 N 2.43 3.37 -0.31 5.44 0.52 -1.26 -2.52 118.95 126.62 2a55 s ARG 105 Ca 0.05 -0.36 -0.13 0.00 -0.52 0.00 0.00 55.73 54.78 2a55 s ARG 105 Cb -0.14 -3.05 -0.03 0.00 0.52 0.00 0.00 34.95 32.25 2a55 s ARG 105 CO -0.11 0.67 0.25 0.00 0.02 0.00 0.00 175.30 176.12 2a55 n GLU 107 N 5.14 1.58 -4.61 0.00 4.07 0.34 -2.25 120.64 124.91 2a55 n GLU 107 Ca -0.12 -0.13 -0.24 0.00 -0.06 0.00 0.00 57.16 56.61 2a55 n GLU 107 Cb 0.51 0.05 -0.16 0.00 -0.06 0.00 0.00 31.44 31.77 2a55 n GLU 107 CO 0.00 0.00 0.00 0.08 -0.06 0.00 0.00 177.13 177.15 2a55 s VAL 108 N -1.25 1.14 0.00 6.31 1.01 -1.26 0.25 120.40 126.60 2a55 s VAL 108 Ca 0.00 -0.50 0.00 0.00 0.00 0.00 0.00 61.98 61.48 2a55 s VAL 108 Cb 0.00 -1.03 0.00 0.00 0.00 0.00 0.00 36.38 35.35 2a55 s VAL 108 CO 0.00 0.35 0.08 0.00 0.00 0.00 0.00 175.10 175.53 2a55 n GLN 109 N 3.64 0.00 0.00 2.72 10.64 -1.26 -4.54 117.38 128.57 2a55 n GLN 109 Ca -0.22 -0.08 0.00 0.00 -1.83 0.00 0.00 57.00 54.88 2a55 n GLN 109 Cb 0.52 0.50 0.00 0.00 -0.86 0.00 0.00 30.24 30.40 2a55 n GLN 109 CO 0.00 0.00 0.00 -0.25 -1.83 0.00 0.00 177.06 174.98 2a55 n ASP 110 N 0.00 0.00 -2.30 2.61 9.92 -1.26 -4.81 116.55 120.71 2a55 n ASP 110 Ca -0.02 0.00 -0.22 0.00 -0.53 0.00 0.00 54.79 54.02 2a55 n ASP 110 Cb 0.28 0.00 -0.07 0.00 -0.64 0.00 0.00 41.12 40.70 2a55 n ASP 110 CO 0.00 0.00 0.00 0.54 0.13 0.00 0.00 177.20 177.87 2a55 n ARG 111 N 0.00 2.22 0.00 -1.24 1.74 -1.26 -4.47 116.66 113.65 2a55 n ARG 111 Ca 0.00 -1.94 0.00 0.00 -0.77 0.00 0.00 57.85 55.14 2a55 n ARG 111 Cb 0.00 -2.03 0.00 0.00 -1.02 0.00 0.00 32.46 29.41 2a55 n ARG 111 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2a55 n GLY 112 N 1.14 0.19 3.64 -0.13 0.00 -1.26 -5.02 105.19 103.76 2a55 n GLY 112 Ca 0.44 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 46.42 2a55 n GLY 112 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2a55 s VAL 113 N -2.00 0.00 0.13 1.61 0.11 -1.26 -4.77 120.40 114.22 2a55 s VAL 113 Ca 0.00 0.00 0.11 0.00 -2.93 0.00 0.00 61.98 59.16 2a55 s VAL 113 Cb 0.00 -1.00 -0.04 0.00 -1.53 0.00 0.00 36.38 33.81 2a55 s VAL 113 CO 0.00 0.00 -0.26 -0.83 -3.33 0.00 0.00 175.10 170.68 2a55 s GLY 114 N 0.27 1.58 0.94 6.54 0.00 0.69 -4.03 107.32 113.30 2a55 s GLY 114 Ca 0.04 -1.48 -0.13 0.00 0.00 0.00 0.00 44.72 43.15 2a55 s GLY 114 CO -0.12 -1.46 1.28 -0.98 0.00 0.00 0.00 173.10 171.82 2a55 s TRP 115 N -1.12 1.39 -0.02 1.90 0.23 -1.26 -0.51 118.94 119.55 2a55 s TRP 115 Ca 0.14 0.13 -0.00 0.00 -2.03 0.00 0.00 56.10 54.34 2a55 s TRP 115 Cb -0.10 -3.97 -0.01 0.00 0.03 0.00 0.00 33.47 29.42 2a55 s TRP 115 CO 0.06 -2.59 -0.02 0.45 0.96 0.00 0.00 176.95 175.81 2a55 n SER 116 N -3.64 2.88 -3.64 2.95 2.88 -1.13 -4.68 113.62 109.24 2a55 n SER 116 Ca 0.16 -0.00 -0.08 0.00 -1.33 0.00 0.00 58.87 57.62 2a55 n SER 116 Cb 0.59 -0.04 -0.07 0.00 -0.75 0.00 0.00 64.21 63.94 2a55 n SER 116 CO 0.00 0.00 0.00 -2.28 -1.23 0.00 0.00 175.04 171.53 2a55 s HIS 117 N -2.04 -0.47 0.00 0.66 5.65 -1.26 -4.99 115.29 112.84 2a55 s HIS 117 Ca -0.03 1.11 0.00 0.00 0.25 0.00 0.00 55.06 56.39 2a55 s HIS 117 Cb 0.01 0.37 0.00 0.00 -1.18 0.00 0.00 32.58 31.78 2a55 s HIS 117 CO 0.05 -0.23 0.00 -0.35 -0.65 0.00 0.00 174.74 173.56 2a55 n PRO 118 N 2.34 3.30 -1.68 2.88 -0.04 -1.26 -4.82 135.00 135.72 2a55 n PRO 118 Ca -0.13 0.00 -0.45 0.00 -0.04 0.00 0.00 63.50 62.88 2a55 n PRO 118 Cb 0.56 0.00 -0.04 0.00 -0.04 0.00 0.00 33.50 33.98 2a55 n PRO 118 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 2a55 n LEU 119 N 0.00 3.26 0.00 1.53 7.99 -1.26 -5.00 117.00 123.52 2a55 n LEU 119 Ca 0.00 1.07 0.00 0.00 -0.01 0.00 0.00 56.01 57.07 2a55 n LEU 119 Cb 0.00 -1.45 0.00 0.00 -0.11 0.00 0.00 43.42 41.86 2a55 n LEU 119 CO 0.00 -0.20 0.00 -0.81 -1.51 0.00 0.00 177.39 174.87 2a55 n PRO 120 N 3.69 0.04 -3.81 3.23 -0.04 -1.26 -5.01 135.00 131.84 2a55 n PRO 120 Ca 0.17 0.00 -0.36 0.00 -0.04 0.00 0.00 63.50 63.27 2a55 n PRO 120 Cb 0.30 0.00 -0.13 0.00 -0.04 0.00 0.00 33.50 33.63 2a55 n PRO 120 CO 0.00 0.00 0.00 -1.14 -0.04 0.00 0.00 175.50 174.32 2a55 s GLN 121 N -1.56 3.29 -0.41 0.54 0.74 -0.23 -4.92 119.66 117.10 2a55 s GLN 121 Ca 0.00 -0.71 -0.13 0.00 0.05 0.00 0.00 55.36 54.57 2a55 s GLN 121 Cb 0.00 -3.24 0.04 0.00 1.10 0.00 0.00 33.01 30.91 2a55 s GLN 121 CO 0.00 -0.32 0.29 0.00 -0.55 0.00 0.00 175.29 174.71 2a55 s GLU 123 N 1.60 1.10 0.46 0.00 2.56 -1.20 -4.89 118.70 118.33 2a55 s GLU 123 Ca 0.03 -0.90 -0.25 0.00 0.00 0.00 0.00 54.97 53.86 2a55 s GLU 123 Cb -0.21 -1.18 -0.08 0.00 2.00 0.00 0.00 34.13 34.66 2a55 s GLU 123 CO 0.07 0.29 1.43 1.51 -0.56 0.00 0.00 175.26 178.00 2a55 n ILE 124 N 1.70 2.90 0.16 -3.70 0.13 -1.26 -1.54 119.36 117.75 2a55 n ILE 124 Ca -0.18 -0.50 -0.14 0.00 -1.10 0.00 0.00 62.75 60.83 2a55 n ILE 124 Cb 0.54 -1.83 -0.08 0.00 -0.84 0.00 0.00 39.64 37.43 2a55 n ILE 124 CO 0.00 0.00 0.00 -0.07 2.80 0.00 0.00 176.55 179.28 2a55 h LEU 125 N 2.21 -0.32 -9.27 9.51 3.38 -0.75 -3.42 115.31 116.66 2a55 h LEU 125 Ca -0.51 -0.12 -0.56 0.00 0.09 0.00 0.00 57.88 56.79 2a55 h LEU 125 Cb 1.27 0.08 -0.03 0.00 0.09 0.00 0.00 40.66 42.08 2a55 h LEU 125 CO 0.61 -0.07 0.77 -0.70 0.09 0.00 0.00 178.44 179.14 2a55 s GLU 126 N -5.33 4.31 0.37 1.13 2.12 -1.26 -4.82 118.70 115.22 2a55 s GLU 126 Ca -0.15 1.69 0.00 0.00 0.36 0.00 0.00 54.97 56.87 2a55 s GLU 126 Cb 0.03 -3.62 0.00 0.00 0.26 0.00 0.00 34.13 30.80 2a55 s GLU 126 CO 0.60 -0.53 0.00 0.72 -0.54 0.00 0.00 175.26 175.51 2a55 n HIS 127 N 5.64 -3.37 -0.22 5.30 8.25 -1.26 -4.99 115.22 124.57 2a55 n HIS 127 Ca 0.12 1.72 0.00 0.00 -0.26 0.00 0.00 57.72 59.30 2a55 n HIS 127 Cb 0.46 -3.06 0.00 0.00 1.12 0.00 0.00 29.99 28.51 2a55 n HIS 127 CO 0.00 0.00 0.00 -2.39 0.64 0.00 0.00 176.34 174.59 2a55 n HIS 128 N -4.05 0.00 0.15 4.41 1.44 -1.26 -4.70 115.22 111.21 2a55 n HIS 128 Ca -0.01 0.00 -0.06 0.00 -2.01 0.00 0.00 57.72 55.64 2a55 n HIS 128 Cb 0.61 0.00 -0.03 0.00 0.12 0.00 0.00 29.99 30.69 2a55 n HIS 128 CO 0.00 0.00 0.00 0.45 -2.81 0.00 0.00 176.34 173.98 2a55 h HIS 129 N 0.00 -0.36 -3.89 -1.40 3.86 -1.99 -3.48 115.15 107.89 2a55 h HIS 129 Ca 0.00 -0.01 -0.10 0.00 -1.16 0.00 0.00 60.37 59.10 2a55 h HIS 129 Cb 0.00 0.12 -0.11 0.00 1.06 0.00 0.00 27.41 28.48 2a55 h HIS 129 CO 0.00 -0.22 -0.25 -3.38 0.86 0.00 0.00 177.93 174.94 2a55 s HIS 130 N -3.43 0.55 0.22 2.45 0.00 -1.26 -5.19 115.29 108.64 2a55 s HIS 130 Ca -0.06 -0.88 0.02 0.00 -3.00 0.00 0.00 55.06 51.15 2a55 s HIS 130 Cb 0.01 -0.01 -0.05 0.00 -4.00 0.00 0.00 32.58 28.53 2a55 s HIS 130 CO 0.17 -0.89 0.04 -1.01 -1.00 0.00 0.00 174.74 172.05 2a55 s HIS 131 N -4.05 1.43 0.00 0.38 0.09 -1.26 -5.07 115.29 106.82 2a55 s HIS 131 Ca 0.26 -1.06 0.00 0.00 -0.00 0.00 0.00 55.06 54.26 2a55 s HIS 131 Cb 0.01 -0.83 0.00 0.00 -0.00 0.00 0.00 32.58 31.76 2a55 s HIS 131 CO 0.09 -0.21 0.00 1.58 -0.00 0.00 0.00 174.74 176.20