#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 5.59 0.50 6.12 -0.87 -1.26 -2.62 114.94 122.40 2a55 s ASN 1 Ca 0.00 0.03 0.03 0.00 -1.57 0.00 0.00 52.86 51.35 2a55 s ASN 1 Cb 0.00 -1.53 0.02 0.00 -0.02 0.00 0.00 41.25 39.73 2a55 s ASN 1 CO 0.00 0.19 0.71 0.00 -2.57 0.00 0.00 177.10 175.42 2a55 s GLY 3 N -4.38 1.78 0.05 0.00 0.00 -1.14 -4.25 107.32 99.37 2a55 s GLY 3 Ca 0.56 0.31 -0.37 0.00 0.00 0.00 0.00 44.72 45.22 2a55 s GLY 3 CO 0.37 0.65 1.42 -1.05 0.00 0.00 0.00 173.10 174.49 2a55 n PRO 4 N -3.23 1.27 -1.54 2.90 -0.02 -1.23 -4.82 135.00 128.33 2a55 n PRO 4 Ca 0.09 0.46 -0.54 0.00 -2.02 0.00 0.00 63.50 61.49 2a55 n PRO 4 Cb 0.53 -2.12 -0.06 0.00 -0.02 0.00 0.00 33.50 31.82 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 3.03 0.62 -1.91 0.52 -0.02 -1.26 -4.97 135.00 131.01 2a55 n PRO 5 Ca 0.19 0.22 -0.27 0.00 -2.02 0.00 0.00 63.50 61.63 2a55 n PRO 5 Cb 0.19 -1.74 0.18 0.00 -0.02 0.00 0.00 33.50 32.11 2a55 n PRO 5 CO 0.00 0.00 0.00 -0.35 1.98 0.00 0.00 175.50 177.13 2a55 n PRO 6 N 1.89 -1.01 -3.69 0.52 -0.05 -1.26 -5.07 135.00 126.33 2a55 n PRO 6 Ca 0.18 -2.05 -0.36 0.00 -0.05 0.00 0.00 63.50 61.23 2a55 n PRO 6 Cb 0.16 -1.17 -0.07 0.00 -0.05 0.00 0.00 33.50 32.37 2a55 n PRO 6 CO 0.00 0.00 0.00 0.99 -0.05 0.00 0.00 175.50 176.44 2a55 s THR 7 N -3.58 5.38 0.00 0.52 2.01 -1.26 -5.08 115.64 113.63 2a55 s THR 7 Ca 0.69 0.33 0.00 0.00 0.31 0.00 0.00 61.69 63.02 2a55 s THR 7 Cb -0.02 -3.52 0.00 0.00 0.01 0.00 0.00 72.50 68.97 2a55 s THR 7 CO 0.48 0.46 0.00 0.18 -0.69 0.00 0.00 174.62 175.05 2a55 n LEU 8 N 3.23 0.00 0.00 4.42 4.32 -1.26 -5.09 117.00 122.62 2a55 n LEU 8 Ca -0.15 0.00 0.00 0.00 -0.02 0.00 0.00 56.01 55.84 2a55 n LEU 8 Cb 0.52 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 42.32 2a55 n LEU 8 CO 0.37 -0.03 -0.22 -0.24 -1.22 0.00 0.00 177.39 176.05 2a55 n SER 9 N -1.08 1.07 -1.42 -1.43 2.88 -1.26 -4.80 113.62 107.59 2a55 n SER 9 Ca 0.00 0.00 -0.01 0.00 -1.33 0.00 0.00 58.87 57.53 2a55 n SER 9 Cb 0.00 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.46 2a55 n SER 9 CO 0.00 0.00 0.00 2.22 -1.23 0.00 0.00 175.04 176.03 2a55 n PHE 10 N -2.25 0.07 0.00 0.66 1.16 -1.26 -4.17 117.46 111.67 2a55 n PHE 10 Ca 0.00 -0.94 0.00 0.00 -1.87 0.00 0.00 57.45 54.64 2a55 n PHE 10 Cb 0.22 -0.47 0.00 0.00 -1.61 0.00 0.00 39.48 37.62 2a55 n PHE 10 CO 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 176.76 174.89 2a55 n ALA 11 N 1.24 0.00 -2.30 1.98 0.00 -1.26 -4.20 120.51 115.98 2a55 n ALA 11 Ca 0.01 0.00 -0.16 0.00 0.00 0.00 0.00 53.44 53.30 2a55 n ALA 11 Cb 0.51 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 19.86 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 -1.87 1.63 0.30 0.00 0.00 -0.86 -4.46 121.76 116.50 2a55 s ALA 12 Ca 0.00 -1.79 -0.29 0.00 0.00 0.00 0.00 51.96 49.88 2a55 s ALA 12 Cb 0.00 0.88 -0.12 0.00 0.00 0.00 0.00 23.12 23.88 2a55 s ALA 12 CO 0.00 -0.41 1.41 -0.35 0.00 0.00 0.00 175.76 176.41 2a55 n PRO 13 N -0.40 2.27 0.00 0.00 -0.04 -1.26 -0.84 135.00 134.72 2a55 n PRO 13 Ca -0.02 0.80 0.00 0.00 -0.04 0.00 0.00 63.50 64.24 2a55 n PRO 13 Cb 0.65 -2.46 0.00 0.00 -0.04 0.00 0.00 33.50 31.65 2a55 n PRO 13 CO 0.00 0.00 0.00 -0.12 -0.04 0.00 0.00 175.50 175.34 2a55 n MET 14 N 1.33 2.09 -2.89 0.54 1.56 -1.26 -4.72 117.12 113.78 2a55 n MET 14 Ca 0.07 0.00 -0.09 0.00 -0.27 0.00 0.00 57.70 57.41 2a55 n MET 14 Cb 0.35 -0.17 -0.01 0.00 2.15 0.00 0.00 33.22 35.54 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 0.00 -2.75 -3.12 6.12 2.03 -1.26 -4.90 116.55 112.68 2a55 n ASP 15 Ca 0.00 -2.84 0.05 0.00 0.52 0.00 0.00 54.79 52.52 2a55 n ASP 15 Cb 0.00 1.26 0.00 0.00 -0.72 0.00 0.00 41.12 41.66 2a55 n ASP 15 CO 0.00 0.00 0.00 -0.51 -1.92 0.00 0.00 177.20 174.77 2a55 s ILE 16 N 0.64 -0.30 -0.14 5.18 2.07 -1.26 -4.08 121.20 123.31 2a55 s ILE 16 Ca 0.31 0.00 -0.33 0.00 -1.41 0.00 0.00 60.65 59.22 2a55 s ILE 16 Cb 0.03 -0.27 -0.10 0.00 0.13 0.00 0.00 42.46 42.25 2a55 s ILE 16 CO -0.10 0.00 2.01 0.35 -1.91 0.00 0.00 174.94 175.29 2a55 n THR 17 N 4.99 0.50 0.57 4.00 -2.24 -1.26 -4.78 114.28 116.06 2a55 n THR 17 Ca 0.09 -0.20 0.00 0.00 -2.27 0.00 0.00 64.05 61.67 2a55 n THR 17 Cb 0.58 -2.03 0.00 0.00 -2.10 0.00 0.00 70.33 66.78 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 8.24 3.07 0.09 3.22 7.99 -1.26 -3.66 117.00 134.70 2a55 n LEU 18 Ca 0.27 -1.48 0.12 0.00 -0.01 0.00 0.00 56.01 54.90 2a55 n LEU 18 Cb 0.33 -0.56 0.23 0.00 -0.11 0.00 0.00 43.42 43.30 2a55 n LEU 18 CO 0.72 0.54 0.53 0.71 -1.51 0.00 0.00 177.39 178.37 2a55 h THR 19 N 0.36 0.00 -0.63 -5.08 1.35 -2.03 -3.46 112.91 103.41 2a55 h THR 19 Ca 0.00 -0.59 -0.62 0.00 -0.55 0.00 0.00 66.41 64.65 2a55 h THR 19 Cb 0.87 1.33 -0.09 0.00 -1.73 0.00 0.00 68.15 68.53 2a55 h THR 19 CO 0.00 0.00 -0.43 -1.61 -0.25 0.00 0.00 175.52 173.23 2a55 s GLU 20 N -3.17 2.22 0.00 4.72 2.02 -1.24 -5.06 118.70 118.19 2a55 s GLU 20 Ca 0.07 -2.16 0.00 0.00 0.02 0.00 0.00 54.97 52.90 2a55 s GLU 20 Cb 0.12 -1.83 0.00 0.00 0.10 0.00 0.00 34.13 32.52 2a55 s GLU 20 CO 0.68 -0.43 0.05 2.41 0.02 0.00 0.00 175.26 177.99 2a55 n THR 21 N -1.46 0.00 -4.35 3.63 -1.04 -1.26 -5.07 114.28 104.73 2a55 n THR 21 Ca -0.09 -0.15 -0.23 0.00 -2.04 0.00 0.00 64.05 61.53 2a55 n THR 21 Cb 0.66 1.23 -0.13 0.00 -1.82 0.00 0.00 70.33 70.26 2a55 n THR 21 CO 0.00 0.00 0.00 -0.13 -0.64 0.00 0.00 175.07 174.30 2a55 s ARG 22 N -0.21 1.13 -0.15 -2.82 0.52 -1.26 -3.54 118.95 112.61 2a55 s ARG 22 Ca 0.00 -1.07 -0.04 0.00 -0.52 0.00 0.00 55.73 54.10 2a55 s ARG 22 Cb 0.00 -1.33 0.07 0.00 0.52 0.00 0.00 34.95 34.21 2a55 s ARG 22 CO 0.00 0.32 0.18 -0.06 0.02 0.00 0.00 175.30 175.75 2a55 s PHE 23 N -1.08 -0.16 1.11 -0.53 0.40 -1.26 -5.02 117.98 111.44 2a55 s PHE 23 Ca 0.05 0.28 -0.19 0.00 -0.60 0.00 0.00 56.93 56.47 2a55 s PHE 23 Cb -0.10 -0.38 0.10 0.00 0.51 0.00 0.00 43.02 43.16 2a55 s PHE 23 CO 0.03 -0.47 -0.05 0.36 0.70 0.00 0.00 175.22 175.80 2a55 n LYS 24 N 5.31 -1.68 0.03 0.44 2.85 -1.26 -3.11 118.16 120.74 2a55 n LYS 24 Ca -0.05 -0.48 0.07 0.00 -1.05 0.00 0.00 58.31 56.79 2a55 n LYS 24 Cb 0.50 -1.63 0.29 0.00 -0.65 0.00 0.00 35.03 33.54 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 -4.42 1.17 -0.95 0.58 -2.24 -1.08 -1.71 114.28 105.62 2a55 n THR 25 Ca 0.01 0.32 0.06 0.00 -2.27 0.00 0.00 64.05 62.17 2a55 n THR 25 Cb 0.60 -1.16 0.35 0.00 -2.10 0.00 0.00 70.33 68.03 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 -0.35 3.39 3.91 3.38 0.00 -1.26 -4.01 105.19 110.25 2a55 n GLY 26 Ca 0.02 -0.97 -0.30 0.00 0.00 0.00 0.00 46.02 44.77 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 -2.82 5.22 -0.21 2.61 -1.32 -0.70 -5.02 115.64 113.41 2a55 s THR 27 Ca 0.51 -0.22 -0.08 0.00 -1.21 0.00 0.00 61.69 60.69 2a55 s THR 27 Cb 0.40 -3.67 0.09 0.00 -1.51 0.00 0.00 72.50 67.81 2a55 s THR 27 CO 0.13 -0.04 0.44 -0.89 -2.21 0.00 0.00 174.62 172.06 2a55 s THR 28 N -1.73 -0.60 0.53 5.08 2.01 -1.24 -3.58 115.64 116.11 2a55 s THR 28 Ca 0.39 0.14 -0.05 0.00 0.31 0.00 0.00 61.69 62.48 2a55 s THR 28 Cb -0.12 -0.70 -0.01 0.00 0.01 0.00 0.00 72.50 71.69 2a55 s THR 28 CO 0.27 0.06 0.83 -0.76 -0.69 0.00 0.00 174.62 174.33 2a55 s LEU 29 N 2.50 3.43 0.00 4.42 1.02 -0.66 -4.88 118.68 124.50 2a55 s LEU 29 Ca -0.03 0.76 0.00 0.00 0.02 0.00 0.00 54.13 54.88 2a55 s LEU 29 Cb -0.11 -3.64 0.00 0.00 0.02 0.00 0.00 46.19 42.45 2a55 s LEU 29 CO -0.13 -0.84 0.00 1.17 0.02 0.00 0.00 176.35 176.57 2a55 n LYS 30 N -2.41 0.00 -1.24 1.70 3.00 -1.26 -3.59 118.16 114.36 2a55 n LYS 30 Ca 0.03 0.14 0.00 0.00 -0.00 0.00 0.00 58.31 58.47 2a55 n LYS 30 Cb 0.57 -0.55 0.00 0.00 0.00 0.00 0.00 35.03 35.04 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 -1.99 -3.33 -3.87 5.64 4.02 -1.25 -4.37 117.16 112.00 2a55 n TYR 31 Ca 0.00 1.76 -0.36 0.00 -0.01 0.00 0.00 57.90 59.29 2a55 n TYR 31 Cb 0.00 -2.95 -0.13 0.00 -0.02 0.00 0.00 39.34 36.23 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 -2.52 3.22 0.07 -0.72 -1.32 -0.02 -4.77 115.64 109.58 2a55 s THR 32 Ca 0.00 -1.17 -0.30 0.00 -1.21 0.00 0.00 61.69 59.01 2a55 s THR 32 Cb 0.00 -2.77 -0.09 0.00 -1.51 0.00 0.00 72.50 68.12 2a55 s THR 32 CO 0.00 -0.02 1.90 0.00 -2.21 0.00 0.00 174.62 174.28 2a55 n LEU 34 N 6.69 2.52 -3.69 0.00 4.77 -1.26 -4.77 117.00 121.26 2a55 n LEU 34 Ca 0.19 0.80 -0.51 0.00 -0.03 0.00 0.00 56.01 56.46 2a55 n LEU 34 Cb 0.40 -1.23 -0.07 0.00 -2.33 0.00 0.00 43.42 40.18 2a55 n LEU 34 CO 0.67 -0.45 0.71 -2.65 -1.33 0.00 0.00 177.39 174.33 2a55 n PRO 35 N 6.76 0.00 0.00 3.23 -0.02 -1.26 -3.58 135.00 140.14 2a55 n PRO 35 Ca 0.31 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.79 2a55 n PRO 35 Cb 0.20 -1.19 0.00 0.00 -0.02 0.00 0.00 33.50 32.49 2a55 n PRO 35 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2a55 n GLY 36 N 2.30 3.25 0.00 -1.23 0.00 -1.26 -5.05 105.19 103.19 2a55 n GLY 36 Ca 0.21 -0.58 0.00 0.00 0.00 0.00 0.00 46.02 45.64 2a55 n GLY 36 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 173.32 174.90 2a55 n TYR 37 N 0.00 0.00 -3.66 1.61 4.11 -1.22 -4.79 117.16 113.21 2a55 n TYR 37 Ca 0.00 0.00 -0.24 0.00 -0.00 0.00 0.00 57.90 57.66 2a55 n TYR 37 Cb 0.00 0.00 -0.17 0.00 -0.00 0.00 0.00 39.34 39.17 2a55 n TYR 37 CO 0.00 0.00 0.00 0.08 -0.00 0.00 0.00 176.86 176.94 2a55 s VAL 38 N 0.00 0.04 -0.51 -3.48 1.01 -0.36 -4.70 120.40 112.41 2a55 s VAL 38 Ca 0.00 -0.03 -0.02 0.00 0.00 0.00 0.00 61.98 61.93 2a55 s VAL 38 Cb 0.00 -0.52 0.00 0.00 0.00 0.00 0.00 36.38 35.86 2a55 s VAL 38 CO 0.00 -0.09 0.51 -1.14 0.00 0.00 0.00 175.10 174.38 2a55 n ARG 39 N 5.24 -1.10 0.00 2.72 3.00 -1.26 -4.36 116.66 120.89 2a55 n ARG 39 Ca -0.06 1.32 0.00 0.00 -0.00 0.00 0.00 57.85 59.10 2a55 n ARG 39 Cb 0.49 -4.65 0.00 0.00 0.00 0.00 0.00 32.46 28.30 2a55 n ARG 39 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.63 178.06 2a55 n SER 40 N -1.37 0.00 -4.75 6.15 7.64 -1.26 -4.95 113.62 115.08 2a55 n SER 40 Ca 0.01 0.00 -0.41 0.00 1.01 0.00 0.00 58.87 59.48 2a55 n SER 40 Cb 0.47 0.00 -0.02 0.00 -1.01 0.00 0.00 64.21 63.66 2a55 n SER 40 CO 0.00 0.00 0.00 -1.38 -3.01 0.00 0.00 175.04 170.65 2a55 s HIS 41 N 0.00 2.82 0.00 1.43 -3.43 -1.26 -2.87 115.29 111.98 2a55 s HIS 41 Ca 0.00 0.86 0.00 0.00 -0.80 0.00 0.00 55.06 55.12 2a55 s HIS 41 Cb 0.00 -4.00 0.00 0.00 -1.43 0.00 0.00 32.58 27.15 2a55 s HIS 41 CO 0.00 -3.32 0.00 0.45 -2.00 0.00 0.00 174.74 169.87 2a55 n SER 42 N 2.15 0.00 -0.01 7.38 2.88 -1.26 -4.75 113.62 120.01 2a55 n SER 42 Ca 0.07 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.61 2a55 n SER 42 Cb 0.38 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.84 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 0.00 0.00 2.46 -1.04 -1.26 -5.04 114.28 109.40 2a55 n THR 43 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.01 2a55 n THR 43 Cb 0.00 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 68.51 2a55 n THR 43 CO 0.00 0.00 0.00 1.67 -0.64 0.00 0.00 175.07 176.10 2a55 n GLN 44 N 0.00 0.00 -3.66 -2.82 7.27 -1.26 -4.38 117.38 112.54 2a55 n GLN 44 Ca 0.00 0.00 -0.15 0.00 0.07 0.00 0.00 57.00 56.92 2a55 n GLN 44 Cb 0.00 0.00 -0.08 0.00 2.41 0.00 0.00 30.24 32.57 2a55 n GLN 44 CO 0.00 0.00 0.00 0.95 0.07 0.00 0.00 177.06 178.08 2a55 s THR 45 N 0.00 0.01 -0.18 1.69 -4.23 -1.26 -4.67 115.64 107.00 2a55 s THR 45 Ca 0.00 -0.09 -0.01 0.00 -1.18 0.00 0.00 61.69 60.41 2a55 s THR 45 Cb 0.00 -0.80 -0.00 0.00 1.34 0.00 0.00 72.50 73.03 2a55 s THR 45 CO 0.00 -0.05 -0.11 -0.76 -0.54 0.00 0.00 174.62 173.16 2a55 s LEU 46 N -0.37 2.63 0.10 4.79 1.02 -1.24 -4.86 118.68 120.74 2a55 s LEU 46 Ca -0.05 -0.44 0.08 0.00 0.02 0.00 0.00 54.13 53.74 2a55 s LEU 46 Cb -0.03 -1.63 -0.03 0.00 0.02 0.00 0.00 46.19 44.52 2a55 s LEU 46 CO 0.04 0.04 -0.22 -0.89 0.02 0.00 0.00 176.35 175.34 2a55 s THR 47 N 1.08 1.76 -0.22 5.49 2.01 -1.26 -1.66 115.64 122.84 2a55 s THR 47 Ca 0.00 -1.52 -0.25 0.00 0.31 0.00 0.00 61.69 60.23 2a55 s THR 47 Cb -0.15 -1.59 -0.00 0.00 0.01 0.00 0.00 72.50 70.77 2a55 s THR 47 CO -0.03 -0.01 0.86 0.00 -0.69 0.00 0.00 174.62 174.76 2a55 s ASN 49 N 1.28 5.20 -1.40 0.00 2.20 -1.22 -4.16 114.94 116.83 2a55 s ASN 49 Ca 0.37 -0.74 -0.09 0.00 -0.94 0.00 0.00 52.86 51.47 2a55 s ASN 49 Cb -0.15 0.08 0.07 0.00 -2.00 0.00 0.00 41.25 39.24 2a55 s ASN 49 CO 0.08 -1.23 2.38 -0.24 -2.94 0.00 0.00 177.10 175.14 2a55 n SER 50 N -2.18 6.92 0.00 3.54 2.88 -1.26 -3.47 113.62 120.05 2a55 n SER 50 Ca 0.14 -2.96 0.00 0.00 -1.33 0.00 0.00 58.87 54.72 2a55 n SER 50 Cb 0.61 -1.48 0.00 0.00 -0.75 0.00 0.00 64.21 62.59 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 3.30 0.00 -1.27 -3.46 -0.08 -1.26 -4.99 116.55 108.78 2a55 n ASP 51 Ca 0.59 -1.00 -0.17 0.00 -1.51 0.00 0.00 54.79 52.71 2a55 n ASP 51 Cb 0.29 0.00 -0.07 0.00 2.34 0.00 0.00 41.12 43.68 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 3.31 0.27 0.00 -1.23 -4.95 105.19 104.21 2a55 n GLY 52 Ca 0.00 -0.10 -0.16 0.00 0.00 0.00 0.00 46.02 45.76 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 -3.38 1.32 -0.37 1.61 -1.05 -1.26 -2.89 118.70 112.67 2a55 s GLU 53 Ca 0.00 -1.68 -0.18 0.00 -0.15 0.00 0.00 54.97 52.97 2a55 s GLU 53 Cb 0.00 -0.46 0.00 0.00 -0.44 0.00 0.00 34.13 33.23 2a55 s GLU 53 CO 0.00 -0.16 0.48 -1.58 0.95 0.00 0.00 175.26 174.94 2a55 s TRP 54 N -3.55 3.17 0.01 4.83 0.52 -1.26 -3.44 118.94 119.21 2a55 s TRP 54 Ca 0.30 -0.01 -0.06 0.00 0.02 0.00 0.00 56.10 56.35 2a55 s TRP 54 Cb 0.06 -2.90 -0.05 0.00 -1.15 0.00 0.00 33.47 29.44 2a55 s TRP 54 CO 0.09 -0.58 0.26 0.08 0.02 0.00 0.00 176.95 176.81 2a55 s VAL 55 N 2.30 5.32 0.00 4.03 1.01 -1.23 -5.01 120.40 126.81 2a55 s VAL 55 Ca 0.16 0.11 0.00 0.00 0.00 0.00 0.00 61.98 62.25 2a55 s VAL 55 Cb -0.16 -3.56 0.00 0.00 0.00 0.00 0.00 36.38 32.66 2a55 s VAL 55 CO 0.14 0.35 0.00 0.00 0.00 0.00 0.00 175.10 175.59 2a55 n TYR 56 N 1.07 0.00 -2.52 5.22 0.18 -1.26 -4.10 117.16 115.75 2a55 n TYR 56 Ca -0.11 0.00 -0.23 0.00 1.88 0.00 0.00 57.90 59.44 2a55 n TYR 56 Cb 0.53 0.00 0.08 0.00 -0.38 0.00 0.00 39.34 39.57 2a55 n TYR 56 CO 0.00 0.00 0.00 0.54 -2.08 0.00 0.00 176.86 175.32 2a55 s ASN 57 N 0.00 4.66 -1.51 9.48 4.22 -1.26 -4.96 114.94 125.58 2a55 s ASN 57 Ca 0.00 -0.10 -0.09 0.00 -2.14 0.00 0.00 52.86 50.52 2a55 s ASN 57 Cb 0.00 -0.47 -0.08 0.00 1.28 0.00 0.00 41.25 41.98 2a55 s ASN 57 CO 0.00 -1.63 2.95 0.41 -2.04 0.00 0.00 177.10 176.80 2a55 n THR 58 N -2.73 4.33 -1.66 0.54 -1.04 -1.26 -4.94 114.28 107.52 2a55 n THR 58 Ca 0.12 -2.68 -0.52 0.00 -2.04 0.00 0.00 64.05 58.93 2a55 n THR 58 Cb 0.60 -2.53 -0.06 0.00 -1.82 0.00 0.00 70.33 66.52 2a55 n THR 58 CO 0.00 0.00 0.00 2.22 -0.64 0.00 0.00 175.07 176.65 2a55 n PHE 59 N 3.34 1.99 -3.96 -1.42 1.16 -1.25 -4.14 117.46 113.18 2a55 n PHE 59 Ca 0.75 0.42 0.00 0.00 -1.87 0.00 0.00 57.45 56.75 2a55 n PHE 59 Cb 0.27 -2.48 0.00 0.00 -1.61 0.00 0.00 39.48 35.66 2a55 n PHE 59 CO 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 176.76 174.89 2a55 n ILE 61 N -1.52 0.00 -2.68 0.00 3.06 -1.26 -4.25 119.36 112.70 2a55 n ILE 61 Ca 0.00 0.00 0.00 0.00 -2.50 0.00 0.00 62.75 60.25 2a55 n ILE 61 Cb 0.00 0.00 0.00 0.00 0.54 0.00 0.00 39.64 40.18 2a55 n ILE 61 CO 0.00 0.00 0.00 -1.22 -2.50 0.00 0.00 176.55 172.83 2a55 n TYR 62 N 0.00 -0.21 0.00 9.51 4.01 -1.26 -3.42 117.16 125.79 2a55 n TYR 62 Ca 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.74 2a55 n TYR 62 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.03 2a55 n TYR 62 CO 0.00 0.00 0.00 1.63 -0.46 0.00 0.00 176.86 178.03 2a55 n LYS 63 N 0.00 0.00 0.00 -0.72 5.02 -1.26 -1.22 118.16 119.98 2a55 n LYS 63 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.29 2a55 n LYS 63 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.01 2a55 n LYS 63 CO 0.00 0.00 0.00 2.89 -0.52 0.00 0.00 177.40 179.77 2a55 n ARG 64 N 0.07 3.15 -3.71 1.97 1.85 -1.26 -2.51 116.66 116.22 2a55 n ARG 64 Ca 0.00 0.00 -0.12 0.00 -1.00 0.00 0.00 57.85 56.73 2a55 n ARG 64 Cb 0.00 0.00 -0.10 0.00 -1.05 0.00 0.00 32.46 31.31 2a55 n ARG 64 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 2a55 s ARG 66 N 0.60 3.31 0.12 0.00 6.06 -1.26 -4.68 118.95 123.09 2a55 s ARG 66 Ca -0.03 2.04 -0.31 0.00 -2.50 0.00 0.00 55.73 54.93 2a55 s ARG 66 Cb -0.05 -2.26 -0.09 0.00 0.06 0.00 0.00 34.95 32.61 2a55 s ARG 66 CO -0.04 -0.99 1.61 -1.58 -2.50 0.00 0.00 175.30 171.80 2a55 s HIS 67 N -1.41 2.76 -0.20 5.12 5.65 -1.26 -4.85 115.29 121.10 2a55 s HIS 67 Ca 0.70 0.47 0.22 0.00 0.25 0.00 0.00 55.06 56.70 2a55 s HIS 67 Cb -0.35 -3.95 1.18 0.00 -1.18 0.00 0.00 32.58 28.28 2a55 s HIS 67 CO 0.42 -3.67 1.67 -0.35 -0.65 0.00 0.00 174.74 172.16 2a55 n PRO 68 N 4.71 0.14 0.00 2.88 -0.04 -1.26 -4.94 135.00 136.48 2a55 n PRO 68 Ca 0.15 0.64 0.00 0.00 -0.04 0.00 0.00 63.50 64.24 2a55 n PRO 68 Cb 0.39 -1.96 0.00 0.00 -0.04 0.00 0.00 33.50 31.89 2a55 n PRO 68 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2a55 n GLY 69 N -1.27 -1.78 3.73 0.55 0.00 -1.26 -4.67 105.19 100.49 2a55 n GLY 69 Ca -0.01 -2.01 -0.41 0.00 0.00 0.00 0.00 46.02 43.59 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 0.00 4.67 -0.63 1.61 2.12 -1.26 -4.87 118.70 120.33 2a55 s GLU 70 Ca 0.00 1.46 -0.16 0.00 0.36 0.00 0.00 54.97 56.63 2a55 s GLU 70 Cb 0.00 -3.39 0.15 0.00 0.26 0.00 0.00 34.13 31.15 2a55 s GLU 70 CO 0.00 0.16 0.60 -1.17 -0.54 0.00 0.00 175.26 174.30 2a55 s LEU 71 N 0.18 6.29 0.17 2.70 2.96 -1.26 -4.93 118.68 124.80 2a55 s LEU 71 Ca 0.48 -2.03 -0.32 0.00 -0.22 0.00 0.00 54.13 52.05 2a55 s LEU 71 Cb -0.23 -2.22 -0.11 0.00 0.50 0.00 0.00 46.19 44.13 2a55 s LEU 71 CO 0.30 -0.80 1.74 -0.60 -1.32 0.00 0.00 176.35 175.67 2a55 s ARG 72 N 1.27 4.14 -1.04 1.98 3.52 -1.26 -0.83 118.95 126.73 2a55 s ARG 72 Ca 0.08 2.56 -0.02 0.00 -0.13 0.00 0.00 55.73 58.22 2a55 s ARG 72 Cb -0.24 -3.28 0.00 0.00 -1.56 0.00 0.00 34.95 29.88 2a55 s ARG 72 CO -0.00 -0.76 0.89 0.09 -0.81 0.00 0.00 175.30 174.70 2a55 n ASN 73 N 4.62 -3.23 -3.83 -2.12 5.03 -1.26 -4.65 115.26 109.81 2a55 n ASN 73 Ca 0.16 -0.49 0.03 0.00 0.87 0.00 0.00 54.58 55.15 2a55 n ASN 73 Cb 0.37 -4.34 0.01 0.00 -1.02 0.00 0.00 39.78 34.80 2a55 n ASN 73 CO 0.00 0.00 0.00 -0.83 -1.83 0.00 0.00 177.26 174.60 2a55 s GLY 74 N -3.85 -0.14 -0.44 7.41 0.00 -0.01 -2.89 107.32 107.40 2a55 s GLY 74 Ca 0.16 0.07 0.05 0.00 0.00 0.00 0.00 44.72 45.00 2a55 s GLY 74 CO 0.61 5.53 0.47 1.20 0.00 0.00 0.00 173.10 180.91 2a55 s GLN 75 N -2.04 0.93 -0.28 2.90 -0.21 0.57 -4.58 119.66 116.94 2a55 s GLN 75 Ca 0.29 -1.63 -0.40 0.00 0.02 0.00 0.00 55.36 53.65 2a55 s GLN 75 Cb -0.00 -0.88 -0.15 0.00 1.00 0.00 0.00 33.01 32.97 2a55 s GLN 75 CO -0.01 -1.35 1.78 1.55 -2.12 0.00 0.00 175.29 175.14 2a55 n VAL 76 N 3.03 0.31 -1.72 1.09 3.14 -1.26 -3.65 118.33 119.27 2a55 n VAL 76 Ca 0.24 -0.06 -0.39 0.00 -2.96 0.00 0.00 64.34 61.17 2a55 n VAL 76 Cb 0.50 -1.26 -0.03 0.00 -1.06 0.00 0.00 33.84 31.99 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 3.74 2.56 0.02 1.45 2.12 0.90 -4.94 118.70 124.55 2a55 s GLU 77 Ca 0.99 1.39 0.04 0.00 0.36 0.00 0.00 54.97 57.75 2a55 s GLU 77 Cb -1.06 -4.46 -0.02 0.00 0.26 0.00 0.00 34.13 28.86 2a55 s GLU 77 CO 0.65 -2.76 -0.13 0.42 -0.54 0.00 0.00 175.26 172.90 2a55 s ILE 78 N 10.15 1.03 0.00 -3.70 -1.09 -1.26 -4.15 121.20 122.19 2a55 s ILE 78 Ca 0.90 -0.83 0.00 0.00 -2.23 0.00 0.00 60.65 58.49 2a55 s ILE 78 Cb -0.20 -0.92 0.00 0.00 -1.58 0.00 0.00 42.46 39.76 2a55 s ILE 78 CO 0.28 0.09 0.00 2.29 -1.23 0.00 0.00 174.94 176.36 2a55 n LYS 79 N 2.20 0.00 0.00 2.79 0.00 -1.26 -4.94 118.16 116.95 2a55 n LYS 79 Ca -0.17 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.14 2a55 n LYS 79 Cb 0.55 0.00 0.00 0.00 -0.00 0.00 0.00 35.03 35.58 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 -0.84 0.00 -0.78 0.58 -2.24 -1.26 -4.79 114.28 104.95 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 -0.44 0.00 0.00 -2.10 0.00 0.00 70.33 67.79 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 -0.01 -3.01 -2.48 3.42 9.92 -1.26 -2.82 116.55 120.30 2a55 n ASP 81 Ca 0.00 0.00 -0.08 0.00 -0.53 0.00 0.00 54.79 54.18 2a55 n ASP 81 Cb 0.22 -2.80 0.04 0.00 -0.64 0.00 0.00 41.12 37.94 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 -4.06 -4.70 0.64 4.32 -1.26 -4.64 117.00 107.30 2a55 n LEU 82 Ca 0.00 -0.40 -0.40 0.00 -0.02 0.00 0.00 56.01 55.20 2a55 n LEU 82 Cb 0.24 -2.03 -0.05 0.00 -1.62 0.00 0.00 43.42 39.96 2a55 n LEU 82 CO 0.00 0.05 0.38 -0.94 -1.22 0.00 0.00 177.39 175.67 2a55 s SER 83 N -3.21 6.90 0.35 -1.43 1.04 -1.13 0.55 113.70 116.77 2a55 s SER 83 Ca 0.26 1.09 -0.21 0.00 0.48 0.00 0.00 55.95 57.56 2a55 s SER 83 Cb -0.03 -2.39 -0.15 0.00 0.10 0.00 0.00 66.02 63.55 2a55 s SER 83 CO 0.41 -0.15 0.15 0.33 0.98 0.00 0.00 173.24 174.96 2a55 n PHE 84 N 4.08 -1.74 -2.02 5.02 7.35 -1.04 -3.08 117.46 126.03 2a55 n PHE 84 Ca -0.01 0.64 0.00 0.00 -0.76 0.00 0.00 57.45 57.32 2a55 n PHE 84 Cb 0.51 -1.71 0.00 0.00 0.35 0.00 0.00 39.48 38.63 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 2.15 0.61 3.17 7.13 0.00 -1.23 -4.99 105.19 112.03 2a55 n GLY 85 Ca 0.12 -0.78 -0.11 0.00 0.00 0.00 0.00 46.02 45.25 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 -2.94 1.16 -0.13 1.61 0.01 -1.18 -4.98 113.70 107.25 2a55 s SER 86 Ca 0.00 -0.97 -0.04 0.00 1.31 0.00 0.00 55.95 56.25 2a55 s SER 86 Cb 0.00 0.08 -0.03 0.00 0.21 0.00 0.00 66.02 66.28 2a55 s SER 86 CO 0.00 -0.44 0.00 -1.58 0.41 0.00 0.00 173.24 171.64 2a55 s GLN 87 N -3.66 3.48 -0.41 12.44 -0.44 -1.26 -2.47 119.66 127.34 2a55 s GLN 87 Ca 0.10 -0.43 0.02 0.00 -2.50 0.00 0.00 55.36 52.55 2a55 s GLN 87 Cb 0.04 -2.94 0.14 0.00 -1.64 0.00 0.00 33.01 28.61 2a55 s GLN 87 CO -0.04 0.43 0.25 0.96 0.50 0.00 0.00 175.29 177.40 2a55 s ILE 88 N -0.13 0.72 0.10 -2.34 -4.36 0.43 -4.95 121.20 110.68 2a55 s ILE 88 Ca 0.04 -2.25 -0.02 0.00 -0.26 0.00 0.00 60.65 58.16 2a55 s ILE 88 Cb -0.13 -1.51 0.03 0.00 1.25 0.00 0.00 42.46 42.10 2a55 s ILE 88 CO 0.02 -1.00 0.07 -0.62 0.24 0.00 0.00 174.94 173.65 2a55 n GLU 89 N 3.60 -1.92 -4.04 0.37 1.02 -1.26 -3.30 120.64 115.11 2a55 n GLU 89 Ca 0.14 -0.11 -0.19 0.00 -0.02 0.00 0.00 57.16 56.97 2a55 n GLU 89 Cb 0.38 -0.14 -0.07 0.00 -0.02 0.00 0.00 31.44 31.59 2a55 n GLU 89 CO 0.00 0.00 0.00 1.19 1.18 0.00 0.00 177.13 179.50 2a55 n PHE 90 N -3.06 -0.41 -3.24 -0.32 3.01 -0.95 -0.07 117.46 112.42 2a55 n PHE 90 Ca 0.01 -2.43 0.03 0.00 1.01 0.00 0.00 57.45 56.07 2a55 n PHE 90 Cb 0.04 0.16 -0.02 0.00 -0.01 0.00 0.00 39.48 39.66 2a55 n PHE 90 CO 0.00 0.00 0.00 -1.54 1.01 0.00 0.00 176.76 176.23 2a55 s SER 91 N -3.13 -1.33 -0.30 4.37 1.04 -1.24 -4.75 113.70 108.37 2a55 s SER 91 Ca 0.29 0.99 -0.24 0.00 0.48 0.00 0.00 55.95 57.48 2a55 s SER 91 Cb 0.01 2.18 0.00 0.00 0.10 0.00 0.00 66.02 68.32 2a55 s SER 91 CO 0.21 -0.25 0.81 0.00 0.98 0.00 0.00 173.24 174.98 2a55 n SER 93 N 6.20 -2.82 -4.38 0.00 3.41 -1.14 -4.58 113.62 110.32 2a55 n SER 93 Ca 0.04 -0.01 -0.40 0.00 -0.26 0.00 0.00 58.87 58.25 2a55 n SER 93 Cb 0.48 -0.84 0.02 0.00 -0.26 0.00 0.00 64.21 63.61 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 -0.35 0.30 0.00 4.33 4.07 -1.26 -1.14 120.64 126.59 2a55 n GLU 94 Ca 0.00 0.11 0.00 0.00 -0.06 0.00 0.00 57.16 57.22 2a55 n GLU 94 Cb 0.65 -1.35 0.00 0.00 -0.06 0.00 0.00 31.44 30.68 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 2.07 1.45 3.44 8.31 0.00 -1.26 -4.90 105.19 114.31 2a55 n GLY 95 Ca 0.10 0.00 -0.35 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 3.04 0.48 1.61 0.40 -0.30 0.93 117.98 124.15 2a55 s PHE 96 Ca 0.00 -0.47 0.02 0.00 -0.60 0.00 0.00 56.93 55.88 2a55 s PHE 96 Cb 0.00 -2.09 0.01 0.00 0.51 0.00 0.00 43.02 41.45 2a55 s PHE 96 CO 0.00 -0.25 0.69 -0.59 0.70 0.00 0.00 175.22 175.77 2a55 s PHE 97 N 1.02 3.03 0.05 0.36 -0.71 -0.01 -3.77 117.98 117.96 2a55 s PHE 97 Ca 0.02 0.04 -0.20 0.00 -1.04 0.00 0.00 56.93 55.75 2a55 s PHE 97 Cb -0.14 -2.48 -0.06 0.00 -1.21 0.00 0.00 43.02 39.12 2a55 s PHE 97 CO 0.02 -0.55 0.60 -1.17 -1.34 0.00 0.00 175.22 172.77 2a55 s LEU 98 N -4.60 4.49 -0.28 -1.99 2.96 -1.26 -3.09 118.68 114.92 2a55 s LEU 98 Ca 0.52 1.26 -0.04 0.00 -0.22 0.00 0.00 54.13 55.66 2a55 s LEU 98 Cb -0.10 -2.95 0.15 0.00 0.50 0.00 0.00 46.19 43.80 2a55 s LEU 98 CO 0.37 0.20 0.54 -0.63 -1.32 0.00 0.00 176.35 175.51 2a55 s ILE 99 N -0.75 -0.87 0.00 6.68 1.01 -1.11 -5.00 121.20 121.15 2a55 s ILE 99 Ca 0.30 0.00 0.00 0.00 0.00 0.00 0.00 60.65 60.96 2a55 s ILE 99 Cb -0.19 -0.92 0.00 0.00 0.01 0.00 0.00 42.46 41.36 2a55 s ILE 99 CO 0.19 -0.02 0.00 0.61 0.00 0.00 0.00 174.94 175.72 2a55 n GLY 100 N 5.42 0.11 2.65 6.18 0.00 -1.26 -0.30 105.19 117.98 2a55 n GLY 100 Ca -0.05 -0.39 -0.04 0.00 0.00 0.00 0.00 46.02 45.55 2a55 n GLY 100 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2a55 n SER 101 N 0.00 -2.80 0.00 1.61 7.64 -1.26 -4.46 113.62 114.35 2a55 n SER 101 Ca 0.00 1.38 0.05 0.00 1.01 0.00 0.00 58.87 61.31 2a55 n SER 101 Cb 0.00 -5.28 0.24 0.00 -1.01 0.00 0.00 64.21 58.17 2a55 n SER 101 CO 0.00 0.00 0.00 0.35 -3.01 0.00 0.00 175.04 172.38 2a55 n THR 102 N 1.41 1.17 -4.29 0.44 -2.24 -1.26 -4.66 114.28 104.84 2a55 n THR 102 Ca -0.29 0.29 -0.24 0.00 -2.27 0.00 0.00 64.05 61.54 2a55 n THR 102 Cb 0.45 -1.10 -0.08 0.00 -2.10 0.00 0.00 70.33 67.50 2a55 n THR 102 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 2a55 s THR 103 N -2.93 3.38 -0.16 4.28 2.01 -1.26 -2.25 115.64 118.71 2a55 s THR 103 Ca 0.06 -1.85 -0.04 0.00 0.31 0.00 0.00 61.69 60.17 2a55 s THR 103 Cb 0.07 -2.78 0.08 0.00 0.01 0.00 0.00 72.50 69.88 2a55 s THR 103 CO 0.20 -0.31 0.22 -0.55 -0.69 0.00 0.00 174.62 173.49 2a55 s SER 104 N -3.45 0.99 0.01 3.53 0.15 -1.21 -4.89 113.70 108.83 2a55 s SER 104 Ca 0.30 0.09 0.00 0.00 0.70 0.00 0.00 55.95 57.04 2a55 s SER 104 Cb -0.07 0.44 -0.04 0.00 -1.71 0.00 0.00 66.02 64.64 2a55 s SER 104 CO 0.19 -0.29 0.07 -0.13 1.20 0.00 0.00 173.24 174.28 2a55 s ARG 105 N 2.34 3.02 -0.33 5.44 0.52 -1.26 -0.43 118.95 128.25 2a55 s ARG 105 Ca 0.05 -0.52 -0.21 0.00 -0.52 0.00 0.00 55.73 54.53 2a55 s ARG 105 Cb -0.14 -2.83 -0.00 0.00 0.52 0.00 0.00 34.95 32.50 2a55 s ARG 105 CO -0.10 0.64 0.68 0.00 0.02 0.00 0.00 175.30 176.53 2a55 s GLU 107 N 2.77 2.14 -0.04 0.00 2.56 -1.26 -3.58 118.70 121.29 2a55 s GLU 107 Ca 0.27 -1.73 0.01 0.00 0.00 0.00 0.00 54.97 53.52 2a55 s GLU 107 Cb -0.14 -1.97 0.02 0.00 2.00 0.00 0.00 34.13 34.03 2a55 s GLU 107 CO 0.14 0.11 -0.05 0.08 -0.56 0.00 0.00 175.26 174.98 2a55 s VAL 108 N -2.51 0.54 -0.29 3.70 1.01 -1.26 -0.09 120.40 121.49 2a55 s VAL 108 Ca 0.36 -0.16 -0.02 0.00 0.00 0.00 0.00 61.98 62.16 2a55 s VAL 108 Cb -0.00 -0.54 0.04 0.00 0.00 0.00 0.00 36.38 35.88 2a55 s VAL 108 CO 0.20 0.21 -0.00 -1.10 0.00 0.00 0.00 175.10 174.41 2a55 s GLN 109 N 0.71 2.57 2.06 2.72 -0.21 -1.19 -4.83 119.66 121.48 2a55 s GLN 109 Ca -0.10 -1.17 0.00 0.00 0.02 0.00 0.00 55.36 54.11 2a55 s GLN 109 Cb -0.13 -3.17 0.00 0.00 1.00 0.00 0.00 33.01 30.72 2a55 s GLN 109 CO 0.00 -0.56 0.00 -0.25 -2.12 0.00 0.00 175.29 172.36 2a55 n ASP 110 N 4.66 0.00 0.00 5.90 9.92 -1.26 -1.73 116.55 134.03 2a55 n ASP 110 Ca -0.14 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.12 2a55 n ASP 110 Cb 0.44 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 40.92 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 0.00 -4.03 -1.24 1.85 -1.26 -5.02 116.66 106.96 2a55 n ARG 111 Ca 0.00 -0.20 -0.31 0.00 -1.00 0.00 0.00 57.85 56.34 2a55 n ARG 111 Cb 0.00 -0.46 -0.15 0.00 -1.05 0.00 0.00 32.46 30.80 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 0.00 1.78 0.17 2.89 0.00 -0.71 -5.08 107.32 106.37 2a55 s GLY 112 Ca 0.00 -2.16 -0.31 0.00 0.00 0.00 0.00 44.72 42.26 2a55 s GLY 112 CO 0.00 0.81 0.69 -0.62 0.00 0.00 0.00 173.10 173.98 2a55 n VAL 113 N 4.35 1.56 -3.59 1.40 0.31 -1.26 -3.16 118.33 117.94 2a55 n VAL 113 Ca -0.04 -0.39 -0.29 0.00 -0.01 0.00 0.00 64.34 63.61 2a55 n VAL 113 Cb 0.42 -0.10 -0.13 0.00 -0.91 0.00 0.00 33.84 33.12 2a55 n VAL 113 CO 0.00 0.00 0.00 -0.83 -1.32 0.00 0.00 176.83 174.68 2a55 s GLY 114 N -0.73 1.22 0.73 2.92 0.00 0.87 -4.78 107.32 107.55 2a55 s GLY 114 Ca 0.69 -2.16 -0.17 0.00 0.00 0.00 0.00 44.72 43.08 2a55 s GLY 114 CO 0.56 1.82 -0.00 0.79 0.00 0.00 0.00 173.10 176.27 2a55 n TRP 115 N 3.89 -2.55 -0.12 1.90 5.03 -1.26 -4.28 117.44 120.05 2a55 n TRP 115 Ca 0.09 0.29 -0.16 0.00 3.03 0.00 0.00 57.50 60.74 2a55 n TRP 115 Cb 0.36 -1.72 -0.11 0.00 -1.03 0.00 0.00 31.31 28.81 2a55 n TRP 115 CO 0.00 0.00 0.00 0.43 -0.03 0.00 0.00 177.69 178.09 2a55 n SER 116 N 1.45 2.12 -3.65 -0.99 7.64 -1.26 -4.96 113.62 113.96 2a55 n SER 116 Ca 0.06 -0.13 -0.06 0.00 1.01 0.00 0.00 58.87 59.75 2a55 n SER 116 Cb 0.51 -0.36 -0.07 0.00 -1.01 0.00 0.00 64.21 63.27 2a55 n SER 116 CO 0.00 0.00 0.00 -2.28 -3.01 0.00 0.00 175.04 169.75 2a55 s HIS 117 N -2.48 -1.02 0.00 1.43 5.65 -1.26 -5.16 115.29 112.45 2a55 s HIS 117 Ca -0.32 1.97 0.00 0.00 0.25 0.00 0.00 55.06 56.96 2a55 s HIS 117 Cb 0.08 0.58 0.00 0.00 -1.18 0.00 0.00 32.58 32.06 2a55 s HIS 117 CO 0.56 -0.52 0.00 -0.35 -0.65 0.00 0.00 174.74 173.77 2a55 n PRO 118 N 4.66 3.44 -1.31 2.88 -0.04 -1.26 -4.84 135.00 138.53 2a55 n PRO 118 Ca -0.18 0.00 -0.59 0.00 -0.04 0.00 0.00 63.50 62.69 2a55 n PRO 118 Cb 0.55 0.00 -0.11 0.00 -0.04 0.00 0.00 33.50 33.90 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 1.00 0.00 1.53 7.99 -1.26 -4.92 117.00 121.33 2a55 n LEU 119 Ca 0.00 0.67 0.00 0.00 -0.01 0.00 0.00 56.01 56.67 2a55 n LEU 119 Cb 0.00 -0.96 0.00 0.00 -0.11 0.00 0.00 43.42 42.35 2a55 n LEU 119 CO 0.00 -0.76 0.00 -2.65 -1.51 0.00 0.00 177.39 172.47 2a55 n PRO 120 N 7.41 1.73 -3.84 3.23 -0.02 -1.26 -4.99 135.00 137.26 2a55 n PRO 120 Ca 0.51 0.00 -0.36 0.00 -2.02 0.00 0.00 63.50 61.63 2a55 n PRO 120 Cb 0.00 0.00 -0.13 0.00 -0.02 0.00 0.00 33.50 33.35 2a55 n PRO 120 CO 0.00 0.00 0.00 -0.65 1.98 0.00 0.00 175.50 176.83 2a55 s GLN 121 N 0.00 3.04 -0.43 -0.52 -0.21 0.59 -4.99 119.66 117.13 2a55 s GLN 121 Ca 0.00 -0.87 -0.16 0.00 0.02 0.00 0.00 55.36 54.35 2a55 s GLN 121 Cb 0.00 -3.21 0.03 0.00 1.00 0.00 0.00 33.01 30.83 2a55 s GLN 121 CO 0.00 -0.40 0.38 0.00 -2.12 0.00 0.00 175.29 173.15 2a55 s GLU 123 N 1.86 1.84 0.64 0.00 0.41 -1.18 -4.91 118.70 117.37 2a55 s GLU 123 Ca 0.07 -1.10 -0.15 0.00 -0.41 0.00 0.00 54.97 53.38 2a55 s GLU 123 Cb -0.20 -2.02 -0.01 0.00 -1.78 0.00 0.00 34.13 30.12 2a55 s GLU 123 CO 0.10 0.51 1.10 -1.50 -0.49 0.00 0.00 175.26 174.99 2a55 s ILE 124 N -0.85 3.34 -0.06 -1.63 2.07 -1.26 -0.83 121.20 121.98 2a55 s ILE 124 Ca 0.13 0.63 -0.23 0.00 -1.41 0.00 0.00 60.65 59.77 2a55 s ILE 124 Cb -0.10 -3.16 -0.30 0.00 0.13 0.00 0.00 42.46 39.03 2a55 s ILE 124 CO 0.03 -0.38 0.89 -0.07 -1.91 0.00 0.00 174.94 173.51 2a55 h LEU 125 N 0.15 0.41 -7.90 8.50 3.38 0.17 -3.46 115.31 116.57 2a55 h LEU 125 Ca -0.47 -0.95 -0.12 0.00 0.09 0.00 0.00 57.88 56.43 2a55 h LEU 125 Cb 1.24 -0.13 -0.17 0.00 0.09 0.00 0.00 40.66 41.69 2a55 h LEU 125 CO 0.55 1.33 -0.51 -1.61 0.09 0.00 0.00 178.44 178.28 2a55 s GLU 126 N -2.46 0.62 0.15 1.13 2.02 -1.26 -5.08 118.70 113.81 2a55 s GLU 126 Ca -0.14 -0.79 0.00 0.00 0.02 0.00 0.00 54.97 54.06 2a55 s GLU 126 Cb 0.01 0.24 0.00 0.00 0.10 0.00 0.00 34.13 34.48 2a55 s GLU 126 CO 0.81 -0.16 0.00 0.72 0.02 0.00 0.00 175.26 176.65 2a55 n HIS 127 N 0.66 -4.45 -2.68 1.61 8.25 -1.26 -5.05 115.22 112.30 2a55 n HIS 127 Ca -0.18 2.67 -0.09 0.00 -0.26 0.00 0.00 57.72 59.86 2a55 n HIS 127 Cb 0.59 -3.56 0.04 0.00 1.12 0.00 0.00 29.99 28.18 2a55 n HIS 127 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70 2a55 n HIS 128 N 1.69 -2.96 -4.09 4.41 8.25 -1.26 -4.93 115.22 116.33 2a55 n HIS 128 Ca 0.00 -0.84 -0.11 0.00 -0.26 0.00 0.00 57.72 56.51 2a55 n HIS 128 Cb 0.00 -0.28 -0.07 0.00 1.12 0.00 0.00 29.99 30.76 2a55 n HIS 128 CO 0.00 0.00 0.00 -3.38 0.64 0.00 0.00 176.34 173.60 2a55 s HIS 129 N -0.92 0.76 0.52 4.41 -3.43 -1.26 -5.18 115.29 110.19 2a55 s HIS 129 Ca 0.28 -1.05 0.04 0.00 -0.80 0.00 0.00 55.06 53.53 2a55 s HIS 129 Cb -0.02 -0.13 0.04 0.00 -1.43 0.00 0.00 32.58 31.04 2a55 s HIS 129 CO 0.18 -0.88 0.30 0.72 -2.00 0.00 0.00 174.74 173.06 2a55 n HIS 130 N -0.37 -0.21 -4.28 0.38 8.25 -1.26 -5.16 115.22 112.57 2a55 n HIS 130 Ca 0.00 -2.28 -0.16 0.00 -0.26 0.00 0.00 57.72 55.02 2a55 n HIS 130 Cb 0.63 -0.41 -0.10 0.00 1.12 0.00 0.00 29.99 31.24 2a55 n HIS 130 CO 0.00 0.00 0.00 -3.38 0.64 0.00 0.00 176.34 173.60 2a55 s HIS 131 N -2.66 1.45 -2.55 4.41 -3.43 -1.26 -5.35 115.29 105.90 2a55 s HIS 131 Ca 0.23 -1.38 0.28 0.00 -0.80 0.00 0.00 55.06 53.39 2a55 s HIS 131 Cb -0.02 -0.74 0.96 0.00 -1.43 0.00 0.00 32.58 31.35 2a55 s HIS 131 CO 0.15 -0.57 1.70 0.72 -2.00 0.00 0.00 174.74 174.73