#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2a55 n ASN 1 N 0.00 1.16 0.02 7.83 4.13 -1.26 -4.86 115.26 122.27 2a55 n ASN 1 Ca 0.00 -1.93 0.11 0.00 1.68 0.00 0.00 54.58 54.44 2a55 n ASN 1 Cb 0.00 -0.44 -0.10 0.00 -1.54 0.00 0.00 39.78 37.70 2a55 n ASN 1 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 2a55 n GLY 3 N 1.29 -1.29 3.60 0.00 0.00 -1.26 -4.67 105.19 102.86 2a55 n GLY 3 Ca -0.01 -1.60 -0.55 0.00 0.00 0.00 0.00 46.02 43.86 2a55 n GLY 3 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 2a55 n PRO 4 N -1.58 0.88 -1.66 1.61 -0.02 -0.94 -4.74 135.00 128.56 2a55 n PRO 4 Ca 0.00 0.32 -0.44 0.00 -2.02 0.00 0.00 63.50 61.36 2a55 n PRO 4 Cb 0.00 -1.94 -0.03 0.00 -0.02 0.00 0.00 33.50 31.51 2a55 n PRO 4 CO 0.00 0.00 0.00 -0.35 1.98 0.00 0.00 175.50 177.13 2a55 n PRO 5 N 2.83 2.65 -0.09 0.52 -0.04 -1.26 -4.97 135.00 134.64 2a55 n PRO 5 Ca 0.20 0.96 -0.10 0.00 -0.04 0.00 0.00 63.50 64.53 2a55 n PRO 5 Cb 0.15 -2.94 0.09 0.00 -0.04 0.00 0.00 33.50 30.77 2a55 n PRO 5 CO 0.00 0.00 0.00 -0.35 -0.04 0.00 0.00 175.50 175.11 2a55 n PRO 6 N 7.42 -2.67 -3.71 0.54 -0.04 -1.26 -4.99 135.00 130.29 2a55 n PRO 6 Ca 0.21 -0.47 -0.36 0.00 -0.04 0.00 0.00 63.50 62.85 2a55 n PRO 6 Cb 0.38 -0.63 -0.07 0.00 -0.04 0.00 0.00 33.50 33.14 2a55 n PRO 6 CO 0.00 0.00 0.00 0.99 -0.04 0.00 0.00 175.50 176.45 2a55 s THR 7 N -1.33 5.39 -0.30 0.52 2.01 -1.26 -5.06 115.64 115.61 2a55 s THR 7 Ca 0.22 0.31 -0.03 0.00 0.31 0.00 0.00 61.69 62.49 2a55 s THR 7 Cb -0.04 -3.50 0.04 0.00 0.01 0.00 0.00 72.50 69.01 2a55 s THR 7 CO 0.18 0.47 0.02 -0.76 -0.69 0.00 0.00 174.62 173.84 2a55 s LEU 8 N 0.02 3.88 0.25 4.42 1.02 -1.26 -4.98 118.68 122.02 2a55 s LEU 8 Ca 0.12 -1.15 -0.04 0.00 0.02 0.00 0.00 54.13 53.09 2a55 s LEU 8 Cb -0.12 -1.75 0.40 0.00 0.02 0.00 0.00 46.19 44.74 2a55 s LEU 8 CO 0.01 -0.25 1.81 0.28 0.02 0.00 0.00 176.35 178.22 2a55 h SER 9 N 8.06 0.68 0.20 2.29 0.02 -2.01 0.76 113.55 123.55 2a55 h SER 9 Ca -0.24 0.05 0.00 0.00 -0.84 0.00 0.00 61.79 60.76 2a55 h SER 9 Cb 1.08 -0.08 0.00 0.00 0.14 0.00 0.00 62.40 63.54 2a55 h SER 9 CO 0.56 0.38 0.00 0.49 -1.14 0.00 0.00 176.83 177.12 2a55 n PHE 10 N -4.74 0.00 -3.11 3.45 3.72 -1.26 -4.79 117.46 110.72 2a55 n PHE 10 Ca 0.14 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.54 2a55 n PHE 10 Cb 0.28 -0.42 0.00 0.00 -0.94 0.00 0.00 39.48 38.40 2a55 n PHE 10 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 2a55 n ALA 11 N -1.42 0.00 -3.63 4.37 0.00 0.26 -4.59 120.51 115.50 2a55 n ALA 11 Ca 0.02 0.00 -0.12 0.00 0.00 0.00 0.00 53.44 53.34 2a55 n ALA 11 Cb 0.07 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 19.45 2a55 n ALA 11 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2a55 s ALA 12 N -1.66 -1.86 0.25 0.00 0.00 -0.34 -4.64 121.76 113.51 2a55 s ALA 12 Ca 0.00 1.98 -0.29 0.00 0.00 0.00 0.00 51.96 53.65 2a55 s ALA 12 Cb 0.00 -1.28 -0.15 0.00 0.00 0.00 0.00 23.12 21.69 2a55 s ALA 12 CO 0.00 -0.30 0.92 -2.30 0.00 0.00 0.00 175.76 174.08 2a55 n PRO 13 N 2.54 1.00 0.00 0.00 -0.02 -1.26 -0.22 135.00 137.04 2a55 n PRO 13 Ca -0.14 0.35 0.00 0.00 -2.02 0.00 0.00 63.50 61.70 2a55 n PRO 13 Cb 0.55 -1.66 0.00 0.00 -0.02 0.00 0.00 33.50 32.38 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 0.93 1.04 0.00 -0.52 1.56 -1.26 -4.61 117.12 114.26 2a55 n MET 14 Ca 0.12 0.00 0.00 0.00 -0.27 0.00 0.00 57.70 57.55 2a55 n MET 14 Cb 0.29 -0.98 0.00 0.00 2.15 0.00 0.00 33.22 34.68 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 -1.55 0.00 -3.11 6.12 2.03 -1.26 -4.96 116.55 113.82 2a55 n ASP 15 Ca 0.00 0.00 -0.00 0.00 0.52 0.00 0.00 54.79 55.31 2a55 n ASP 15 Cb 0.11 0.00 -0.00 0.00 -0.72 0.00 0.00 41.12 40.50 2a55 n ASP 15 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2a55 n ILE 16 N 0.00 -2.22 -1.59 5.18 3.06 -1.26 -4.66 119.36 117.87 2a55 n ILE 16 Ca 0.00 0.40 -0.48 0.00 -2.50 0.00 0.00 62.75 60.17 2a55 n ILE 16 Cb 0.00 -3.02 -0.05 0.00 0.54 0.00 0.00 39.64 37.11 2a55 n ILE 16 CO 0.00 0.00 0.00 0.35 -2.50 0.00 0.00 176.55 174.40 2a55 n THR 17 N 1.79 0.41 0.35 9.51 -2.24 -1.26 -4.78 114.28 118.06 2a55 n THR 17 Ca -0.01 -0.22 0.00 0.00 -2.27 0.00 0.00 64.05 61.54 2a55 n THR 17 Cb 0.28 -1.93 0.00 0.00 -2.10 0.00 0.00 70.33 66.58 2a55 n THR 17 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 2a55 n LEU 18 N 8.65 3.38 0.06 3.22 7.99 -1.26 -3.72 117.00 135.32 2a55 n LEU 18 Ca 0.30 -1.60 -0.04 0.00 -0.01 0.00 0.00 56.01 54.66 2a55 n LEU 18 Cb 0.30 -0.64 -0.08 0.00 -0.11 0.00 0.00 43.42 42.88 2a55 n LEU 18 CO 0.73 0.60 -0.01 0.71 -1.51 0.00 0.00 177.39 177.91 2a55 h THR 19 N 0.54 1.09 -3.64 -5.08 1.35 -2.00 -3.46 112.91 101.70 2a55 h THR 19 Ca 0.00 -2.70 0.00 0.00 -0.55 0.00 0.00 66.41 63.16 2a55 h THR 19 Cb 0.86 2.49 0.00 0.00 -1.73 0.00 0.00 68.15 69.77 2a55 h THR 19 CO 0.00 0.62 0.00 -1.84 -0.25 0.00 0.00 175.52 174.05 2a55 n GLU 20 N -3.16 0.95 0.00 4.72 0.28 -1.24 -5.07 120.64 117.11 2a55 n GLU 20 Ca -0.05 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 56.95 2a55 n GLU 20 Cb 0.90 0.00 0.00 0.00 1.43 0.00 0.00 31.44 33.77 2a55 n GLU 20 CO 0.00 0.00 0.00 0.25 -0.16 0.00 0.00 177.13 177.22 2a55 n THR 21 N -1.09 0.00 -4.37 3.84 -2.24 -1.26 -5.03 114.28 104.13 2a55 n THR 21 Ca 0.00 0.00 -0.23 0.00 -2.27 0.00 0.00 64.05 61.55 2a55 n THR 21 Cb 0.00 0.00 -0.11 0.00 -2.10 0.00 0.00 70.33 68.12 2a55 n THR 21 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 2a55 s ARG 22 N -0.01 1.38 -0.21 -0.78 0.52 -1.26 -2.20 118.95 116.38 2a55 s ARG 22 Ca 0.00 -1.48 -0.04 0.00 -0.52 0.00 0.00 55.73 53.70 2a55 s ARG 22 Cb 0.00 -1.50 0.10 0.00 0.52 0.00 0.00 34.95 34.07 2a55 s ARG 22 CO 0.00 0.31 0.26 -0.06 0.02 0.00 0.00 175.30 175.82 2a55 s PHE 23 N -2.02 -0.40 1.10 -0.53 0.40 -1.26 -5.00 117.98 110.27 2a55 s PHE 23 Ca 0.19 0.36 -0.20 0.00 -0.60 0.00 0.00 56.93 56.68 2a55 s PHE 23 Cb -0.06 -0.28 0.07 0.00 0.51 0.00 0.00 43.02 43.27 2a55 s PHE 23 CO 0.08 -0.63 -0.19 0.36 0.70 0.00 0.00 175.22 175.55 2a55 n LYS 24 N 5.33 -1.50 0.00 0.44 2.85 -1.26 -4.15 118.16 119.87 2a55 n LYS 24 Ca -0.05 -0.43 0.06 0.00 -1.05 0.00 0.00 58.31 56.84 2a55 n LYS 24 Cb 0.50 -1.58 0.30 0.00 -0.65 0.00 0.00 35.03 33.60 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 -4.33 0.74 -0.89 0.58 -2.24 -1.26 -1.64 114.28 105.23 2a55 n THR 25 Ca 0.01 0.18 0.08 0.00 -2.27 0.00 0.00 64.05 62.05 2a55 n THR 25 Cb 0.62 -0.98 0.37 0.00 -2.10 0.00 0.00 70.33 68.23 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 -0.26 3.21 3.97 3.38 0.00 -1.26 -4.20 105.19 110.02 2a55 n GLY 26 Ca 0.05 -0.94 -0.21 0.00 0.00 0.00 0.00 46.02 44.92 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 -2.67 5.09 -0.29 2.61 -1.32 -0.65 -5.03 115.64 113.38 2a55 s THR 27 Ca 0.51 -0.95 -0.13 0.00 -1.21 0.00 0.00 61.69 59.92 2a55 s THR 27 Cb 0.39 -3.80 0.11 0.00 -1.51 0.00 0.00 72.50 67.69 2a55 s THR 27 CO 0.15 -0.33 0.69 -0.89 -2.21 0.00 0.00 174.62 172.03 2a55 s THR 28 N -2.03 -0.54 0.00 5.08 2.01 -1.25 -3.49 115.64 115.41 2a55 s THR 28 Ca 0.36 0.00 0.00 0.00 0.31 0.00 0.00 61.69 62.36 2a55 s THR 28 Cb -0.09 -1.00 0.00 0.00 0.01 0.00 0.00 72.50 71.42 2a55 s THR 28 CO 0.30 0.00 0.00 0.18 -0.69 0.00 0.00 174.62 174.41 2a55 n LEU 29 N 4.91 0.00 0.00 4.42 7.99 -0.70 -4.89 117.00 128.74 2a55 n LEU 29 Ca -0.15 0.00 0.00 0.00 -0.01 0.00 0.00 56.01 55.85 2a55 n LEU 29 Cb 0.54 0.00 0.00 0.00 -0.11 0.00 0.00 43.42 43.85 2a55 n LEU 29 CO -0.03 -0.48 0.00 1.17 -1.51 0.00 0.00 177.39 176.54 2a55 n LYS 30 N -0.95 0.00 -1.47 3.23 3.00 -1.26 -4.32 118.16 116.39 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 -0.03 0.00 0.00 0.00 0.00 0.00 35.03 35.00 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 -1.58 -3.87 -3.60 5.64 4.02 -1.26 -4.43 117.16 112.08 2a55 n TYR 31 Ca 0.00 2.03 -0.23 0.00 -0.01 0.00 0.00 57.90 59.69 2a55 n TYR 31 Cb 0.00 -3.24 -0.01 0.00 -0.02 0.00 0.00 39.34 36.07 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 -2.26 2.17 -0.14 -0.72 -1.32 0.70 -4.86 115.64 109.21 2a55 s THR 32 Ca 0.00 -1.34 0.00 0.00 -1.21 0.00 0.00 61.69 59.14 2a55 s THR 32 Cb 0.00 -2.52 0.02 0.00 -1.51 0.00 0.00 72.50 68.50 2a55 s THR 32 CO 0.00 0.00 -0.12 0.00 -2.21 0.00 0.00 174.62 172.29 2a55 n LEU 34 N 4.83 -2.55 -4.54 0.00 4.77 -1.26 -4.66 117.00 113.59 2a55 n LEU 34 Ca -0.15 0.62 -0.50 0.00 -0.03 0.00 0.00 56.01 55.95 2a55 n LEU 34 Cb 0.50 -0.94 -0.06 0.00 -2.33 0.00 0.00 43.42 40.58 2a55 n LEU 34 CO 0.20 -4.39 1.70 -0.81 -1.33 0.00 0.00 177.39 172.75 2a55 n PRO 35 N 1.07 1.43 0.00 3.23 -0.04 -1.26 -1.19 135.00 138.23 2a55 n PRO 35 Ca 0.08 0.44 0.00 0.00 -0.04 0.00 0.00 63.50 63.98 2a55 n PRO 35 Cb 0.48 -2.57 0.00 0.00 -0.04 0.00 0.00 33.50 31.37 2a55 n PRO 35 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2a55 n GLY 36 N 5.79 0.62 3.55 0.55 0.00 -1.26 -5.04 105.19 109.40 2a55 n GLY 36 Ca 0.35 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 46.16 2a55 n GLY 36 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 2a55 n TYR 37 N -0.00 1.16 -0.28 1.61 4.01 -0.34 -3.62 117.16 119.69 2a55 n TYR 37 Ca 0.00 0.03 0.00 0.00 -0.16 0.00 0.00 57.90 57.77 2a55 n TYR 37 Cb 0.00 -2.50 0.00 0.00 -0.31 0.00 0.00 39.34 36.53 2a55 n TYR 37 CO 0.00 0.00 0.00 1.33 -0.46 0.00 0.00 176.86 177.73 2a55 n VAL 38 N 8.35 0.00 -4.86 -0.72 0.24 -1.26 -4.65 118.33 115.42 2a55 n VAL 38 Ca 0.46 0.00 -0.27 0.00 -2.04 0.00 0.00 64.34 62.49 2a55 n VAL 38 Cb 0.44 -1.92 -0.16 0.00 -1.47 0.00 0.00 33.84 30.72 2a55 n VAL 38 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2a55 s ARG 39 N -0.88 1.89 0.00 7.34 1.70 -1.26 -1.89 118.95 125.84 2a55 s ARG 39 Ca 0.00 -0.63 0.00 0.00 -0.47 0.00 0.00 55.73 54.63 2a55 s ARG 39 Cb 0.00 -1.61 0.00 0.00 -0.57 0.00 0.00 34.95 32.77 2a55 s ARG 39 CO 0.00 0.23 0.00 0.45 -1.08 0.00 0.00 175.30 174.90 2a55 n SER 40 N 3.20 1.95 0.00 -2.89 2.88 -1.23 -4.90 113.62 112.63 2a55 n SER 40 Ca -0.18 -0.19 0.00 0.00 -1.33 0.00 0.00 58.87 57.16 2a55 n SER 40 Cb 0.53 0.78 0.00 0.00 -0.75 0.00 0.00 64.21 64.77 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 -0.97 0.00 0.00 0.66 8.25 -1.25 -5.08 115.22 116.83 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 0.45 0.64 0.00 0.00 176.34 177.43 2a55 n SER 42 N 0.00 0.00 -4.68 0.41 2.88 -1.26 -5.03 113.62 105.95 2a55 n SER 42 Ca 0.00 0.00 -0.64 0.00 -1.33 0.00 0.00 58.87 56.90 2a55 n SER 42 Cb 0.00 0.00 -0.09 0.00 -0.75 0.00 0.00 64.21 63.37 2a55 n SER 42 CO 0.00 0.00 0.00 0.41 -1.23 0.00 0.00 175.04 174.22 2a55 n THR 43 N 0.00 0.05 -3.26 2.46 -1.04 -1.26 -4.62 114.28 106.61 2a55 n THR 43 Ca 0.00 -0.01 -0.26 0.00 -2.04 0.00 0.00 64.05 61.74 2a55 n THR 43 Cb 0.00 -0.52 -0.07 0.00 -1.82 0.00 0.00 70.33 67.92 2a55 n THR 43 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2a55 n GLN 44 N 3.60 2.44 -3.79 -2.82 10.64 -1.26 -3.73 117.38 122.46 2a55 n GLN 44 Ca 0.27 -4.50 -0.11 0.00 -1.83 0.00 0.00 57.00 50.84 2a55 n GLN 44 Cb 0.01 -2.11 -0.07 0.00 -0.86 0.00 0.00 30.24 27.21 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 -2.86 0.10 -0.33 -0.39 -4.23 -1.26 -4.65 115.64 102.01 2a55 s THR 45 Ca 0.42 -0.83 -0.05 0.00 -1.18 0.00 0.00 61.69 60.05 2a55 s THR 45 Cb 0.20 -1.04 0.05 0.00 1.34 0.00 0.00 72.50 73.04 2a55 s THR 45 CO -0.06 -0.46 0.08 -0.76 -0.54 0.00 0.00 174.62 172.88 2a55 s LEU 46 N -2.31 4.26 0.01 4.79 1.43 -1.26 -4.76 118.68 120.84 2a55 s LEU 46 Ca -0.02 -1.25 0.03 0.00 -1.03 0.00 0.00 54.13 51.86 2a55 s LEU 46 Cb 0.01 -1.82 -0.03 0.00 0.03 0.00 0.00 46.19 44.37 2a55 s LEU 46 CO -0.06 -0.32 -0.06 -0.89 0.23 0.00 0.00 176.35 175.25 2a55 s THR 47 N 1.34 3.72 -0.27 5.49 2.01 -1.25 -1.72 115.64 124.96 2a55 s THR 47 Ca -0.02 -0.76 -0.29 0.00 0.31 0.00 0.00 61.69 60.92 2a55 s THR 47 Cb -0.20 -2.63 0.00 0.00 0.01 0.00 0.00 72.50 69.68 2a55 s THR 47 CO 0.01 0.38 1.23 0.00 -0.69 0.00 0.00 174.62 175.55 2a55 n ASN 49 N 7.19 0.00 -3.14 0.00 0.23 -1.16 -4.28 115.26 114.10 2a55 n ASN 49 Ca 0.14 -0.99 -0.36 0.00 -0.53 0.00 0.00 54.58 52.84 2a55 n ASN 49 Cb 0.46 0.00 0.01 0.00 -2.08 0.00 0.00 39.78 38.18 2a55 n ASN 49 CO 0.00 0.00 0.00 -0.24 -0.93 0.00 0.00 177.26 176.09 2a55 n SER 50 N -2.97 6.55 0.00 0.53 2.88 -1.26 -4.38 113.62 114.97 2a55 n SER 50 Ca 0.00 -3.74 0.00 0.00 -1.33 0.00 0.00 58.87 53.80 2a55 n SER 50 Cb 0.00 -0.93 0.00 0.00 -0.75 0.00 0.00 64.21 62.53 2a55 n SER 50 CO 0.00 0.00 0.00 0.47 -1.23 0.00 0.00 175.04 174.28 2a55 n ASP 51 N -0.30 2.30 0.00 -3.46 8.00 -1.26 -5.04 116.55 116.79 2a55 n ASP 51 Ca 0.45 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.95 2a55 n ASP 51 Cb 0.33 0.06 0.00 0.00 -0.02 0.00 0.00 41.12 41.49 2a55 n ASP 51 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2a55 n GLY 52 N 2.43 -0.14 0.00 0.44 0.00 -1.26 -5.12 105.19 101.55 2a55 n GLY 52 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 2a55 n GLY 52 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 2a55 n GLU 53 N 0.00 0.00 -3.60 1.61 0.00 -1.26 -4.61 120.64 112.77 2a55 n GLU 53 Ca 0.00 0.00 -0.38 0.00 0.00 0.00 0.00 57.16 56.78 2a55 n GLU 53 Cb 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 31.44 31.33 2a55 n GLU 53 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.13 175.55 2a55 s TRP 54 N -2.47 3.23 0.07 -1.84 0.52 -1.26 -2.98 118.94 114.21 2a55 s TRP 54 Ca 0.00 0.12 -0.00 0.00 0.02 0.00 0.00 56.10 56.23 2a55 s TRP 54 Cb 0.00 -2.36 -0.04 0.00 -1.15 0.00 0.00 33.47 29.92 2a55 s TRP 54 CO 0.00 -0.14 0.23 0.08 0.02 0.00 0.00 176.95 177.14 2a55 s VAL 55 N 1.66 5.37 0.00 4.03 1.01 -1.18 -4.97 120.40 126.32 2a55 s VAL 55 Ca 0.07 -0.35 0.00 0.00 0.00 0.00 0.00 61.98 61.70 2a55 s VAL 55 Cb -0.16 -3.63 0.00 0.00 0.00 0.00 0.00 36.38 32.59 2a55 s VAL 55 CO 0.10 0.12 0.00 0.00 0.00 0.00 0.00 175.10 175.32 2a55 n TYR 56 N 0.25 0.00 -3.23 5.22 4.11 -1.26 -3.86 117.16 118.40 2a55 n TYR 56 Ca -0.05 0.00 -0.19 0.00 -0.00 0.00 0.00 57.90 57.66 2a55 n TYR 56 Cb 0.51 0.00 0.00 0.00 -0.00 0.00 0.00 39.34 39.85 2a55 n TYR 56 CO 0.00 0.00 0.00 -0.80 -0.00 0.00 0.00 176.86 176.06 2a55 s ASN 57 N 0.00 5.35 -1.36 9.48 0.01 -1.26 -5.00 114.94 122.16 2a55 s ASN 57 Ca 0.00 -0.62 -0.16 0.00 -0.71 0.00 0.00 52.86 51.37 2a55 s ASN 57 Cb 0.00 -0.46 0.03 0.00 0.41 0.00 0.00 41.25 41.23 2a55 s ASN 57 CO 0.00 -0.82 2.08 0.41 -1.51 0.00 0.00 177.10 177.26 2a55 n THR 58 N -1.80 3.38 -0.14 1.60 -1.04 -1.26 -4.79 114.28 110.23 2a55 n THR 58 Ca 0.07 -3.11 -0.10 0.00 -2.04 0.00 0.00 64.05 58.87 2a55 n THR 58 Cb 0.60 -2.51 -0.05 0.00 -1.82 0.00 0.00 70.33 66.55 2a55 n THR 58 CO 0.00 0.00 0.00 2.19 -0.64 0.00 0.00 175.07 176.62 2a55 h PHE 59 N 6.63 -1.27 -3.44 -1.42 -0.00 -1.82 -3.31 116.94 112.31 2a55 h PHE 59 Ca 0.52 0.07 -0.68 0.00 -0.00 0.00 0.00 57.97 57.89 2a55 h PHE 59 Cb 0.70 0.62 -0.17 0.00 -0.00 0.00 0.00 35.95 37.10 2a55 h PHE 59 CO 1.43 -0.44 -0.65 0.00 -0.00 0.00 0.00 178.31 178.65 2a55 n ILE 61 N 2.36 0.79 -1.51 0.00 3.06 -0.79 -4.91 119.36 118.35 2a55 n ILE 61 Ca -0.18 -0.40 0.00 0.00 -2.50 0.00 0.00 62.75 59.66 2a55 n ILE 61 Cb 0.53 -0.83 0.00 0.00 0.54 0.00 0.00 39.64 39.88 2a55 n ILE 61 CO 0.00 0.00 0.00 0.00 -2.50 0.00 0.00 176.55 174.05 2a55 n TYR 62 N -2.63 -2.84 -2.70 9.51 4.19 -1.26 -4.85 117.16 116.58 2a55 n TYR 62 Ca -0.21 1.71 -0.03 0.00 3.31 0.00 0.00 57.90 62.68 2a55 n TYR 62 Cb 0.82 -3.01 0.03 0.00 0.49 0.00 0.00 39.34 37.67 2a55 n TYR 62 CO 0.00 0.00 0.00 -1.59 0.91 0.00 0.00 176.86 176.18 2a55 s LYS 63 N -1.52 0.30 0.00 2.98 -2.85 -1.24 -4.85 119.74 112.57 2a55 s LYS 63 Ca 0.00 -0.27 0.00 0.00 -1.00 0.00 0.00 55.97 54.70 2a55 s LYS 63 Cb 0.00 -0.01 0.00 0.00 -2.06 0.00 0.00 37.83 35.76 2a55 s LYS 63 CO 0.00 -0.37 0.00 2.89 0.10 0.00 0.00 175.35 177.97 2a55 n ARG 64 N 2.79 1.14 -4.17 1.78 0.00 -1.26 -4.07 116.66 112.86 2a55 n ARG 64 Ca 0.11 0.00 -0.28 0.00 -0.00 0.00 0.00 57.85 57.68 2a55 n ARG 64 Cb 0.64 0.00 -0.17 0.00 -0.00 0.00 0.00 32.46 32.93 2a55 n ARG 64 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 2a55 n ARG 66 N 4.56 1.03 -1.63 0.00 3.00 -1.26 -4.76 116.66 117.60 2a55 n ARG 66 Ca -0.17 0.37 -0.47 0.00 -0.00 0.00 0.00 57.85 57.58 2a55 n ARG 66 Cb 0.50 -1.75 -0.04 0.00 0.00 0.00 0.00 32.46 31.18 2a55 n ARG 66 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.63 178.35 2a55 n HIS 67 N -0.32 1.81 0.20 -0.14 8.25 -1.26 -4.66 115.22 119.09 2a55 n HIS 67 Ca 0.11 0.52 0.05 0.00 -0.26 0.00 0.00 57.72 58.14 2a55 n HIS 67 Cb 0.36 -2.39 0.48 0.00 1.12 0.00 0.00 29.99 29.55 2a55 n HIS 67 CO 0.00 0.00 0.00 -1.00 0.64 0.00 0.00 176.34 175.98 2a55 h PRO 68 N 4.11 0.07 0.00 -0.41 0.13 -1.97 -3.49 132.00 130.44 2a55 h PRO 68 Ca -0.45 -0.01 0.00 0.00 -0.87 0.00 0.00 66.00 64.67 2a55 h PRO 68 Cb 1.30 -0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.42 2a55 h PRO 68 CO 0.75 0.22 0.00 0.41 -0.23 0.00 0.00 178.00 179.15 2a55 n GLY 69 N -1.01 -1.63 3.73 1.56 0.00 -1.26 -4.68 105.19 101.90 2a55 n GLY 69 Ca -0.02 -2.17 -0.41 0.00 0.00 0.00 0.00 46.02 43.42 2a55 n GLY 69 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2a55 s GLU 70 N -0.42 4.68 -0.59 1.61 2.12 -1.26 -4.84 118.70 119.99 2a55 s GLU 70 Ca 0.00 1.56 -0.19 0.00 0.36 0.00 0.00 54.97 56.69 2a55 s GLU 70 Cb 0.00 -3.33 0.10 0.00 0.26 0.00 0.00 34.13 31.16 2a55 s GLU 70 CO 0.00 0.19 0.73 -1.17 -0.54 0.00 0.00 175.26 174.47 2a55 s LEU 71 N -0.25 5.25 0.05 2.70 0.20 -1.26 -5.00 118.68 120.37 2a55 s LEU 71 Ca 0.47 -1.35 -0.30 0.00 0.69 0.00 0.00 54.13 53.64 2a55 s LEU 71 Cb -0.26 -2.33 -0.08 0.00 -0.43 0.00 0.00 46.19 43.09 2a55 s LEU 71 CO 0.32 -1.13 1.68 -0.60 -0.29 0.00 0.00 176.35 176.33 2a55 s ARG 72 N 2.83 4.19 0.00 1.98 3.52 -1.26 0.35 118.95 130.55 2a55 s ARG 72 Ca 0.13 2.34 0.00 0.00 -0.13 0.00 0.00 55.73 58.07 2a55 s ARG 72 Cb -0.23 -3.69 0.00 0.00 -1.56 0.00 0.00 34.95 29.47 2a55 s ARG 72 CO 0.07 -0.77 0.00 0.09 -0.81 0.00 0.00 175.30 173.88 2a55 n ASN 73 N 5.93 -1.03 -2.51 -2.12 3.02 -1.26 -4.62 115.26 112.67 2a55 n ASN 73 Ca 0.16 0.00 -0.12 0.00 -0.03 0.00 0.00 54.58 54.59 2a55 n ASN 73 Cb 0.41 -0.71 -0.04 0.00 -0.61 0.00 0.00 39.78 38.83 2a55 n ASN 73 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2a55 n GLY 74 N -2.04 3.61 2.68 7.41 0.00 0.15 -1.29 105.19 115.72 2a55 n GLY 74 Ca 0.00 -1.95 -0.17 0.00 0.00 0.00 0.00 46.02 43.91 2a55 n GLY 74 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 2a55 s GLN 75 N -2.75 0.80 -0.14 1.61 -2.07 0.11 -4.42 119.66 112.81 2a55 s GLN 75 Ca 0.13 -1.22 -0.38 0.00 -1.82 0.00 0.00 55.36 52.07 2a55 s GLN 75 Cb 0.01 -0.76 -0.15 0.00 -1.09 0.00 0.00 33.01 31.02 2a55 s GLN 75 CO 0.09 -1.27 1.66 1.55 -1.32 0.00 0.00 175.29 176.01 2a55 n VAL 76 N 3.63 0.26 -2.35 3.63 3.14 -1.26 -3.27 118.33 122.12 2a55 n VAL 76 Ca 0.17 -0.05 -0.42 0.00 -2.96 0.00 0.00 64.34 61.09 2a55 n VAL 76 Cb 0.48 -1.26 -0.03 0.00 -1.06 0.00 0.00 33.84 31.97 2a55 n VAL 76 CO 0.00 0.00 0.00 -0.70 -6.46 0.00 0.00 176.83 169.67 2a55 s GLU 77 N 2.76 3.33 0.02 1.45 2.56 0.11 -4.94 118.70 124.00 2a55 s GLU 77 Ca 0.93 0.61 0.07 0.00 0.00 0.00 0.00 54.97 56.59 2a55 s GLU 77 Cb -0.96 -4.12 -0.03 0.00 2.00 0.00 0.00 34.13 31.03 2a55 s GLU 77 CO 0.57 -1.88 -0.21 0.42 -0.56 0.00 0.00 175.26 173.60 2a55 s ILE 78 N 6.09 2.52 0.00 -3.70 -1.09 -1.26 -3.65 121.20 120.11 2a55 s ILE 78 Ca 0.56 -1.17 0.00 0.00 -2.23 0.00 0.00 60.65 57.81 2a55 s ILE 78 Cb -0.12 -2.00 0.00 0.00 -1.58 0.00 0.00 42.46 38.76 2a55 s ILE 78 CO 0.27 0.42 0.31 2.29 -1.23 0.00 0.00 174.94 176.99 2a55 n LYS 79 N 1.85 0.00 -0.35 2.79 0.00 -1.26 -4.97 118.16 116.23 2a55 n LYS 79 Ca -0.16 -0.20 0.00 0.00 -0.00 0.00 0.00 58.31 57.94 2a55 n LYS 79 Cb 0.52 0.25 0.00 0.00 -0.00 0.00 0.00 35.03 35.80 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 0.00 0.00 -0.89 0.58 -2.24 -1.26 -4.96 114.28 105.51 2a55 n THR 80 Ca -0.06 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.72 2a55 n THR 80 Cb 0.32 0.38 0.00 0.00 -2.10 0.00 0.00 70.33 68.93 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 0.00 -4.45 -2.50 3.42 9.92 -1.26 -2.07 116.55 119.61 2a55 n ASP 81 Ca 0.00 0.00 -0.09 0.00 -0.53 0.00 0.00 54.79 54.17 2a55 n ASP 81 Cb 0.58 -3.12 0.05 0.00 -0.64 0.00 0.00 41.12 37.98 2a55 n ASP 81 CO 0.00 0.00 0.00 0.18 0.13 0.00 0.00 177.20 177.51 2a55 n LEU 82 N 0.00 -3.76 -4.74 0.64 4.77 -1.26 -4.79 117.00 107.86 2a55 n LEU 82 Ca 0.00 -0.40 -0.39 0.00 -0.03 0.00 0.00 56.01 55.19 2a55 n LEU 82 Cb 0.36 -2.09 -0.05 0.00 -2.33 0.00 0.00 43.42 39.31 2a55 n LEU 82 CO 0.00 0.13 0.33 -0.94 -1.33 0.00 0.00 177.39 175.58 2a55 s SER 83 N -3.48 6.96 0.26 -1.43 1.04 -0.88 -0.86 113.70 115.31 2a55 s SER 83 Ca 0.16 1.15 -0.25 0.00 0.48 0.00 0.00 55.95 57.49 2a55 s SER 83 Cb -0.02 -2.38 -0.16 0.00 0.10 0.00 0.00 66.02 63.56 2a55 s SER 83 CO 0.44 -0.01 0.35 0.33 0.98 0.00 0.00 173.24 175.33 2a55 n PHE 84 N 3.30 -1.04 -2.42 5.02 7.35 -1.26 -3.23 117.46 125.18 2a55 n PHE 84 Ca -0.04 0.81 -0.02 0.00 -0.76 0.00 0.00 57.45 57.44 2a55 n PHE 84 Cb 0.51 -1.82 0.01 0.00 0.35 0.00 0.00 39.48 38.53 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 2.04 0.58 3.17 7.13 0.00 -1.26 -5.05 105.19 111.80 2a55 n GLY 85 Ca 0.15 -0.50 -0.09 0.00 0.00 0.00 0.00 46.02 45.59 2a55 n GLY 85 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2a55 s SER 86 N -3.09 0.20 -0.09 1.61 0.01 -1.20 -5.13 113.70 106.00 2a55 s SER 86 Ca 0.04 -0.70 0.02 0.00 1.31 0.00 0.00 55.95 56.63 2a55 s SER 86 Cb -0.02 0.29 -0.02 0.00 0.21 0.00 0.00 66.02 66.49 2a55 s SER 86 CO 0.09 -0.67 -0.16 -1.58 0.41 0.00 0.00 173.24 171.33 2a55 s GLN 87 N -3.65 2.97 -0.25 12.44 -0.44 -1.25 -4.04 119.66 125.43 2a55 s GLN 87 Ca 0.04 -0.74 0.00 0.00 -2.50 0.00 0.00 55.36 52.16 2a55 s GLN 87 Cb 0.05 -2.46 0.07 0.00 -1.64 0.00 0.00 33.01 29.03 2a55 s GLN 87 CO -0.10 0.36 -0.02 0.96 0.50 0.00 0.00 175.29 177.00 2a55 s ILE 88 N -0.05 1.42 0.49 -2.34 -4.36 -0.54 -4.90 121.20 110.92 2a55 s ILE 88 Ca -0.04 -1.28 -0.08 0.00 -0.26 0.00 0.00 60.65 58.99 2a55 s ILE 88 Cb -0.14 -1.78 0.12 0.00 1.25 0.00 0.00 42.46 41.91 2a55 s ILE 88 CO 0.04 -0.23 0.45 -0.62 0.24 0.00 0.00 174.94 174.82 2a55 n GLU 89 N 4.69 -1.84 -4.17 0.37 1.02 -1.24 -3.16 120.64 116.31 2a55 n GLU 89 Ca -0.09 -0.71 -0.16 0.00 -0.02 0.00 0.00 57.16 56.18 2a55 n GLU 89 Cb 0.44 -0.66 -0.06 0.00 -0.02 0.00 0.00 31.44 31.14 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 -1.81 1.29 -0.30 -0.32 0.08 -1.19 0.07 117.98 115.80 2a55 s PHE 90 Ca 0.29 -1.41 -0.11 0.00 0.12 0.00 0.00 56.93 55.82 2a55 s PHE 90 Cb -0.03 -0.36 0.12 0.00 -0.57 0.00 0.00 43.02 42.18 2a55 s PHE 90 CO 0.22 -0.97 0.65 -1.12 -0.10 0.00 0.00 175.22 173.91 2a55 s SER 91 N -3.27 -1.13 -0.30 1.36 0.01 -1.20 -4.78 113.70 104.39 2a55 s SER 91 Ca 0.35 1.57 -0.18 0.00 1.31 0.00 0.00 55.95 59.00 2a55 s SER 91 Cb 0.02 2.22 -0.02 0.00 0.21 0.00 0.00 66.02 68.45 2a55 s SER 91 CO 0.21 -0.22 0.52 0.00 0.41 0.00 0.00 173.24 174.16 2a55 n SER 93 N 5.66 -2.54 -4.40 0.00 3.41 -0.41 -4.56 113.62 110.79 2a55 n SER 93 Ca -0.04 -0.10 -0.40 0.00 -0.26 0.00 0.00 58.87 58.06 2a55 n SER 93 Cb 0.49 -0.83 0.01 0.00 -0.26 0.00 0.00 64.21 63.63 2a55 n SER 93 CO 0.00 0.00 0.00 1.21 -0.16 0.00 0.00 175.04 176.09 2a55 n GLU 94 N -0.86 0.36 0.00 4.33 4.07 -1.26 -1.14 120.64 126.15 2a55 n GLU 94 Ca -0.00 0.14 0.00 0.00 -0.06 0.00 0.00 57.16 57.23 2a55 n GLU 94 Cb 0.66 -1.38 0.00 0.00 -0.06 0.00 0.00 31.44 30.66 2a55 n GLU 94 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 2a55 n GLY 95 N 2.00 1.61 3.51 8.31 0.00 -1.26 -4.92 105.19 114.44 2a55 n GLY 95 Ca 0.11 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.79 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 2.97 0.42 1.61 0.08 -0.29 -0.13 117.98 122.65 2a55 s PHE 96 Ca 0.00 -0.24 0.08 0.00 0.12 0.00 0.00 56.93 56.88 2a55 s PHE 96 Cb 0.00 -1.86 -0.02 0.00 -0.57 0.00 0.00 43.02 40.57 2a55 s PHE 96 CO 0.00 0.06 0.40 -0.59 -0.10 0.00 0.00 175.22 174.99 2a55 s PHE 97 N -0.02 2.67 0.03 0.36 -0.71 -0.68 -3.81 117.98 115.82 2a55 s PHE 97 Ca -0.00 -0.50 -0.14 0.00 -1.04 0.00 0.00 56.93 55.25 2a55 s PHE 97 Cb -0.13 -2.18 -0.06 0.00 -1.21 0.00 0.00 43.02 39.44 2a55 s PHE 97 CO 0.03 -0.16 0.43 -1.17 -1.34 0.00 0.00 175.22 173.00 2a55 s LEU 98 N -4.16 4.45 -0.25 -1.99 0.20 -1.26 -3.03 118.68 112.64 2a55 s LEU 98 Ca 0.48 0.96 -0.06 0.00 0.69 0.00 0.00 54.13 56.21 2a55 s LEU 98 Cb -0.04 -2.72 0.12 0.00 -0.43 0.00 0.00 46.19 43.13 2a55 s LEU 98 CO 0.28 0.28 0.50 -0.63 -0.29 0.00 0.00 176.35 176.50 2a55 s ILE 99 N -1.16 -0.79 0.00 6.68 1.01 -0.79 -4.93 121.20 121.21 2a55 s ILE 99 Ca 0.27 0.05 0.00 0.00 0.00 0.00 0.00 60.65 60.97 2a55 s ILE 99 Cb -0.16 -0.84 0.00 0.00 0.01 0.00 0.00 42.46 41.47 2a55 s ILE 99 CO 0.15 0.01 0.00 0.61 0.00 0.00 0.00 174.94 175.70 2a55 n GLY 100 N 5.41 -0.14 3.15 6.18 0.00 -1.26 0.01 105.19 118.53 2a55 n GLY 100 Ca -0.07 0.15 0.05 0.00 0.00 0.00 0.00 46.02 46.14 2a55 n GLY 100 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2a55 s SER 101 N -2.43 -0.88 0.05 1.61 0.01 -1.26 -5.02 113.70 105.78 2a55 s SER 101 Ca 0.00 0.16 0.09 0.00 1.31 0.00 0.00 55.95 57.51 2a55 s SER 101 Cb 0.00 1.58 0.40 0.00 0.21 0.00 0.00 66.02 68.22 2a55 s SER 101 CO 0.00 -0.16 1.28 0.35 0.41 0.00 0.00 173.24 175.11 2a55 n THR 102 N 5.27 1.48 -4.43 1.44 -2.24 -1.26 -4.62 114.28 109.92 2a55 n THR 102 Ca 0.06 0.42 -0.26 0.00 -2.27 0.00 0.00 64.05 62.00 2a55 n THR 102 Cb 0.56 -1.33 -0.11 0.00 -2.10 0.00 0.00 70.33 67.35 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 -3.08 2.51 -0.14 4.28 -4.23 -1.26 -3.20 115.64 110.52 2a55 s THR 103 Ca 0.02 -2.15 -0.04 0.00 -1.18 0.00 0.00 61.69 58.35 2a55 s THR 103 Cb 0.04 -2.26 0.07 0.00 1.34 0.00 0.00 72.50 71.70 2a55 s THR 103 CO 0.14 -0.24 0.22 -0.55 -0.54 0.00 0.00 174.62 173.65 2a55 s SER 104 N -3.05 0.76 0.00 3.99 0.15 -1.19 -4.93 113.70 109.43 2a55 s SER 104 Ca 0.25 0.28 0.00 0.00 0.70 0.00 0.00 55.95 57.18 2a55 s SER 104 Cb -0.07 0.49 0.00 0.00 -1.71 0.00 0.00 66.02 64.73 2a55 s SER 104 CO 0.13 -0.27 0.00 0.54 1.20 0.00 0.00 173.24 174.84 2a55 n ARG 105 N 5.33 0.00 -2.92 5.44 1.74 -1.26 -1.47 116.66 123.53 2a55 n ARG 105 Ca -0.05 0.10 0.00 0.00 -0.77 0.00 0.00 57.85 57.12 2a55 n ARG 105 Cb 0.50 -0.45 0.00 0.00 -1.02 0.00 0.00 32.46 31.49 2a55 n ARG 105 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2a55 n GLU 107 N 0.00 0.00 -4.23 0.00 2.13 0.76 -4.19 120.64 115.11 2a55 n GLU 107 Ca 0.00 0.00 -0.33 0.00 0.66 0.00 0.00 57.16 57.49 2a55 n GLU 107 Cb 0.00 0.00 -0.15 0.00 0.27 0.00 0.00 31.44 31.56 2a55 n GLU 107 CO 0.00 0.00 0.00 0.08 -0.41 0.00 0.00 177.13 176.80 2a55 s VAL 108 N 0.00 2.53 -0.24 6.31 1.01 -1.26 0.79 120.40 129.54 2a55 s VAL 108 Ca 0.00 -0.79 0.01 0.00 0.00 0.00 0.00 61.98 61.20 2a55 s VAL 108 Cb 0.00 -2.09 0.06 0.00 0.00 0.00 0.00 36.38 34.35 2a55 s VAL 108 CO 0.00 0.51 -0.06 0.00 0.00 0.00 0.00 175.10 175.54 2a55 s GLN 109 N 1.16 1.74 2.22 2.72 -2.07 0.24 -4.94 119.66 120.74 2a55 s GLN 109 Ca 0.01 -1.04 0.00 0.00 -1.82 0.00 0.00 55.36 52.51 2a55 s GLN 109 Cb -0.14 -2.63 0.00 0.00 -1.09 0.00 0.00 33.01 29.15 2a55 s GLN 109 CO -0.06 -0.59 0.00 -0.25 -1.32 0.00 0.00 175.29 173.07 2a55 n ASP 110 N 4.63 0.00 -0.59 12.60 9.92 -1.26 0.17 116.55 142.02 2a55 n ASP 110 Ca -0.12 0.00 0.06 0.00 -0.53 0.00 0.00 54.79 54.20 2a55 n ASP 110 Cb 0.44 0.00 0.21 0.00 -0.64 0.00 0.00 41.12 41.12 2a55 n ASP 110 CO 0.00 0.00 0.00 -2.11 0.13 0.00 0.00 177.20 175.22 2a55 n ARG 111 N 0.00 1.58 -3.52 -1.24 1.85 -1.26 -4.92 116.66 109.16 2a55 n ARG 111 Ca 0.00 -3.28 -0.29 0.00 -1.00 0.00 0.00 57.85 53.28 2a55 n ARG 111 Cb 0.00 -1.62 -0.14 0.00 -1.05 0.00 0.00 32.46 29.65 2a55 n ARG 111 CO 0.00 0.00 0.00 0.20 -0.01 0.00 0.00 177.63 177.82 2a55 s GLY 112 N -3.21 0.69 0.27 2.89 0.00 0.13 -5.13 107.32 102.95 2a55 s GLY 112 Ca 0.38 -1.46 -0.04 0.00 0.00 0.00 0.00 44.72 43.60 2a55 s GLY 112 CO -0.06 2.05 0.51 0.54 0.00 0.00 0.00 173.10 176.14 2a55 s VAL 113 N 1.62 5.07 -4.51 1.40 0.11 -1.26 -0.59 120.40 122.24 2a55 s VAL 113 Ca 0.13 -0.07 0.00 0.00 -2.93 0.00 0.00 61.98 59.11 2a55 s VAL 113 Cb -0.19 -3.74 0.00 0.00 -1.53 0.00 0.00 36.38 30.92 2a55 s VAL 113 CO -0.20 -0.30 0.00 0.61 -3.33 0.00 0.00 175.10 171.88 2a55 n GLY 114 N -0.91 0.98 3.75 6.54 0.00 0.24 -4.58 105.19 111.20 2a55 n GLY 114 Ca -0.03 -1.97 -0.36 0.00 0.00 0.00 0.00 46.02 43.66 2a55 n GLY 114 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 2a55 s TRP 115 N -1.35 2.29 -0.17 1.61 0.52 -1.26 0.27 118.94 120.85 2a55 s TRP 115 Ca 0.00 1.51 0.08 0.00 0.02 0.00 0.00 56.10 57.70 2a55 s TRP 115 Cb 0.00 -3.55 -0.16 0.00 -1.15 0.00 0.00 33.47 28.61 2a55 s TRP 115 CO 0.00 -2.44 -0.06 0.45 0.02 0.00 0.00 176.95 174.92 2a55 n SER 116 N -1.70 1.83 -4.41 2.95 2.88 -1.26 -4.70 113.62 109.20 2a55 n SER 116 Ca 0.14 -0.05 -0.33 0.00 -1.33 0.00 0.00 58.87 57.30 2a55 n SER 116 Cb 0.49 0.29 -0.14 0.00 -0.75 0.00 0.00 64.21 64.10 2a55 n SER 116 CO 0.00 0.00 0.00 -1.00 -1.23 0.00 0.00 175.04 172.81 2a55 s HIS 117 N -2.38 2.73 0.00 0.66 3.76 -1.26 -5.13 115.29 113.66 2a55 s HIS 117 Ca -0.17 -0.41 0.00 0.00 -0.15 0.00 0.00 55.06 54.33 2a55 s HIS 117 Cb 0.06 -1.72 0.00 0.00 1.11 0.00 0.00 32.58 32.03 2a55 s HIS 117 CO 0.54 -0.02 0.00 -0.35 -0.85 0.00 0.00 174.74 174.07 2a55 n PRO 118 N 2.88 3.07 -1.45 8.40 -0.04 -1.26 -4.96 135.00 141.64 2a55 n PRO 118 Ca -0.18 0.00 -0.36 0.00 -0.04 0.00 0.00 63.50 62.92 2a55 n PRO 118 Cb 0.52 0.00 0.08 0.00 -0.04 0.00 0.00 33.50 34.07 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 4.24 0.00 1.53 7.99 -1.26 -4.94 117.00 124.56 2a55 n LEU 119 Ca 0.00 0.71 0.00 0.00 -0.01 0.00 0.00 56.01 56.71 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 -1.74 0.00 -0.81 -1.51 0.00 0.00 177.39 173.33 2a55 n PRO 120 N -1.93 3.45 -3.89 3.23 -0.04 -1.26 -4.97 135.00 129.58 2a55 n PRO 120 Ca 0.14 0.00 -0.27 0.00 -0.04 0.00 0.00 63.50 63.33 2a55 n PRO 120 Cb 0.49 0.00 -0.17 0.00 -0.04 0.00 0.00 33.50 33.78 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 0.12 1.45 -0.43 0.54 2.00 0.10 -4.93 119.66 118.50 2a55 s GLN 121 Ca 0.00 -0.32 -0.11 0.00 -2.00 0.00 0.00 55.36 52.93 2a55 s GLN 121 Cb 0.00 -1.69 0.08 0.00 0.80 0.00 0.00 33.01 32.20 2a55 s GLN 121 CO 0.00 -0.32 0.30 0.00 -0.50 0.00 0.00 175.29 174.77 2a55 s GLU 123 N 1.50 1.36 0.27 0.00 2.12 -1.17 -4.85 118.70 117.92 2a55 s GLU 123 Ca 0.03 -0.96 -0.30 0.00 0.36 0.00 0.00 54.97 54.10 2a55 s GLU 123 Cb -0.23 -1.49 -0.10 0.00 0.26 0.00 0.00 34.13 32.57 2a55 s GLU 123 CO 0.04 0.38 1.47 -1.50 -0.54 0.00 0.00 175.26 175.10 2a55 s ILE 124 N -0.84 2.49 0.00 -3.70 2.07 -1.25 -1.68 121.20 118.28 2a55 s ILE 124 Ca 0.07 0.42 0.00 0.00 -1.41 0.00 0.00 60.65 59.73 2a55 s ILE 124 Cb -0.09 -3.27 0.00 0.00 0.13 0.00 0.00 42.46 39.23 2a55 s ILE 124 CO 0.02 0.07 0.66 0.18 -1.91 0.00 0.00 174.94 173.96 2a55 n LEU 125 N 2.11 0.14 0.00 8.50 4.77 0.82 -4.93 117.00 128.41 2a55 n LEU 125 Ca 0.06 0.68 0.00 0.00 -0.03 0.00 0.00 56.01 56.73 2a55 n LEU 125 Cb 0.40 -0.23 0.00 0.00 -2.33 0.00 0.00 43.42 41.26 2a55 n LEU 125 CO 0.61 -0.23 0.00 -1.84 -1.33 0.00 0.00 177.39 174.61 2a55 n GLU 126 N -1.18 3.82 -1.95 3.23 0.28 -1.26 -5.11 120.64 118.47 2a55 n GLU 126 Ca 0.00 0.00 -0.32 0.00 -0.16 0.00 0.00 57.16 56.68 2a55 n GLU 126 Cb 0.00 0.00 0.01 0.00 1.43 0.00 0.00 31.44 32.88 2a55 n GLU 126 CO 0.00 0.00 0.00 -1.58 -0.16 0.00 0.00 177.13 175.39 2a55 s HIS 127 N 2.11 3.21 0.02 -1.84 5.65 -1.26 -5.02 115.29 118.16 2a55 s HIS 127 Ca 0.00 1.44 -0.05 0.00 0.25 0.00 0.00 55.06 56.71 2a55 s HIS 127 Cb 0.00 -2.88 -0.02 0.00 -1.18 0.00 0.00 32.58 28.50 2a55 s HIS 127 CO 0.00 -0.94 -0.09 1.58 -0.65 0.00 0.00 174.74 174.64 2a55 n HIS 128 N -2.38 0.00 -0.50 3.88 -0.00 -1.26 -5.07 115.22 109.90 2a55 n HIS 128 Ca 0.08 0.00 -0.29 0.00 0.46 0.00 0.00 57.72 57.96 2a55 n HIS 128 Cb 0.53 -0.14 0.24 0.00 -0.12 0.00 0.00 29.99 30.50 2a55 n HIS 128 CO 0.00 0.00 0.00 0.72 0.46 0.00 0.00 176.34 177.52 2a55 n HIS 129 N -3.71 -1.79 0.00 1.57 8.25 -1.26 -4.99 115.22 113.29 2a55 n HIS 129 Ca -0.04 -0.17 0.00 0.00 -0.26 0.00 0.00 57.72 57.25 2a55 n HIS 129 Cb 0.17 -1.58 0.00 0.00 1.12 0.00 0.00 29.99 29.70 2a55 n HIS 129 CO 0.00 0.00 0.00 -2.39 0.64 0.00 0.00 176.34 174.59 2a55 n HIS 130 N -4.95 0.00 -1.32 4.41 1.44 -1.26 -5.16 115.22 108.38 2a55 n HIS 130 Ca 0.03 0.00 0.18 0.00 -2.01 0.00 0.00 57.72 55.92 2a55 n HIS 130 Cb 0.56 0.00 -0.05 0.00 0.12 0.00 0.00 29.99 30.62 2a55 n HIS 130 CO 0.00 0.00 0.00 0.72 -2.81 0.00 0.00 176.34 174.25 2a55 n HIS 131 N -0.71 -3.34 -0.48 -1.40 8.25 -1.26 -5.31 115.22 110.98 2a55 n HIS 131 Ca 0.00 1.68 0.00 0.00 -0.26 0.00 0.00 57.72 59.14 2a55 n HIS 131 Cb 0.08 -3.03 0.00 0.00 1.12 0.00 0.00 29.99 28.16 2a55 n HIS 131 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70