#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 4.36 0.00 7.83 3.04 -1.26 -4.35 114.94 124.56 2a55 s ASN 1 Ca 0.00 -1.05 0.27 0.00 0.04 0.00 0.00 52.86 52.12 2a55 s ASN 1 Cb 0.00 -0.51 0.78 0.00 -1.54 0.00 0.00 41.25 39.98 2a55 s ASN 1 CO 0.00 -0.44 1.59 0.00 -3.04 0.00 0.00 177.10 175.21 2a55 n GLY 3 N 1.37 -0.09 3.57 0.00 0.00 -1.26 -4.16 105.19 104.61 2a55 n GLY 3 Ca 0.11 -1.53 -0.60 0.00 0.00 0.00 0.00 46.02 43.99 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 0.41 0.16 -1.67 1.61 -0.02 -1.26 -4.77 135.00 129.47 2a55 n PRO 4 Ca 0.00 0.06 -0.50 0.00 -2.02 0.00 0.00 63.50 61.04 2a55 n PRO 4 Cb 0.00 -1.58 -0.05 0.00 -0.02 0.00 0.00 33.50 31.85 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 2.22 1.90 -0.13 0.52 -0.02 -1.26 -4.96 135.00 133.27 2a55 n PRO 5 Ca 0.22 0.68 -0.17 0.00 -2.02 0.00 0.00 63.50 62.21 2a55 n PRO 5 Cb 0.07 -2.55 0.17 0.00 -0.02 0.00 0.00 33.50 31.16 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 6.64 -3.65 -3.65 0.52 -0.04 -1.26 -5.00 135.00 128.55 2a55 n PRO 6 Ca 0.25 -0.84 -0.36 0.00 -0.04 0.00 0.00 63.50 62.52 2a55 n PRO 6 Cb 0.26 -1.08 -0.07 0.00 -0.04 0.00 0.00 33.50 32.57 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 -1.63 5.36 -0.33 0.52 2.01 -1.26 -5.07 115.64 115.23 2a55 s THR 7 Ca 0.38 0.37 -0.06 0.00 0.31 0.00 0.00 61.69 62.70 2a55 s THR 7 Cb -0.07 -3.54 0.04 0.00 0.01 0.00 0.00 72.50 68.94 2a55 s THR 7 CO 0.32 0.44 0.08 -0.76 -0.69 0.00 0.00 174.62 174.02 2a55 s LEU 8 N 0.20 4.24 0.53 4.42 1.02 -1.26 -4.94 118.68 122.88 2a55 s LEU 8 Ca 0.13 -1.16 0.31 0.00 0.02 0.00 0.00 54.13 53.43 2a55 s LEU 8 Cb -0.12 -1.84 1.30 0.00 0.02 0.00 0.00 46.19 45.55 2a55 s LEU 8 CO 0.02 -0.31 1.97 0.28 0.02 0.00 0.00 176.35 178.32 2a55 h SER 9 N 8.18 0.00 -1.19 2.29 0.02 -2.02 -2.82 113.55 118.02 2a55 h SER 9 Ca -0.23 0.00 -0.68 0.00 -0.84 0.00 0.00 61.79 60.04 2a55 h SER 9 Cb 1.08 0.00 -0.28 0.00 0.14 0.00 0.00 62.40 63.34 2a55 h SER 9 CO 0.59 0.07 0.89 2.22 -1.14 0.00 0.00 176.83 179.46 2a55 n PHE 10 N -3.21 3.07 -3.04 3.45 1.16 -1.26 -4.93 117.46 112.69 2a55 n PHE 10 Ca 0.00 -2.81 0.00 0.00 -1.87 0.00 0.00 57.45 52.77 2a55 n PHE 10 Cb 0.32 -1.38 0.00 0.00 -1.61 0.00 0.00 39.48 36.82 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 -0.75 0.00 -3.62 1.98 0.00 -1.06 -4.88 120.51 112.19 2a55 n ALA 11 Ca 0.59 0.00 -0.08 0.00 0.00 0.00 0.00 53.44 53.95 2a55 n ALA 11 Cb 0.56 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.95 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 -1.19 -2.00 0.46 0.00 0.00 0.03 -4.68 121.76 114.38 2a55 s ALA 12 Ca 0.00 1.75 -0.21 0.00 0.00 0.00 0.00 51.96 53.51 2a55 s ALA 12 Cb 0.00 -1.25 -0.12 0.00 0.00 0.00 0.00 23.12 21.75 2a55 s ALA 12 CO 0.00 -0.24 0.39 -2.30 0.00 0.00 0.00 175.76 173.61 2a55 n PRO 13 N 1.52 0.41 0.00 0.00 -0.02 -1.26 0.05 135.00 135.70 2a55 n PRO 13 Ca -0.11 0.15 0.00 0.00 -2.02 0.00 0.00 63.50 61.53 2a55 n PRO 13 Cb 0.57 -1.42 0.00 0.00 -0.02 0.00 0.00 33.50 32.63 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 0.66 3.36 0.00 -0.52 1.56 -1.26 -4.52 117.12 116.40 2a55 n MET 14 Ca 0.11 0.00 0.00 0.00 -0.27 0.00 0.00 57.70 57.54 2a55 n MET 14 Cb 0.42 -0.56 0.00 0.00 2.15 0.00 0.00 33.22 35.23 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 -0.55 0.00 -3.16 6.12 2.03 -1.26 -4.95 116.55 114.78 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 0.00 0.00 -0.00 0.00 -0.72 0.00 0.00 41.12 40.40 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 -1.98 -1.63 5.18 3.06 -1.26 -4.60 119.36 118.14 2a55 n ILE 16 Ca 0.00 0.42 -0.59 0.00 -2.50 0.00 0.00 62.75 60.08 2a55 n ILE 16 Cb 0.00 -2.97 -0.08 0.00 0.54 0.00 0.00 39.64 37.13 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 1.55 0.19 0.28 9.51 -2.24 -1.26 -4.74 114.28 117.57 2a55 n THR 17 Ca -0.00 -0.06 0.00 0.00 -2.27 0.00 0.00 64.05 61.71 2a55 n THR 17 Cb 0.39 -1.04 0.00 0.00 -2.10 0.00 0.00 70.33 67.58 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 5.97 3.38 -0.62 3.22 7.99 -1.26 -3.70 117.00 131.98 2a55 n LEU 18 Ca 0.33 -1.59 0.12 0.00 -0.01 0.00 0.00 56.01 54.86 2a55 n LEU 18 Cb 0.08 -0.65 0.39 0.00 -0.11 0.00 0.00 43.42 43.13 2a55 n LEU 18 CO 0.83 0.61 0.79 0.35 -1.51 0.00 0.00 177.39 178.46 2a55 n THR 19 N 1.03 0.11 -3.46 -5.08 -2.24 -1.26 -4.90 114.28 98.47 2a55 n THR 19 Ca 0.00 -0.36 -0.22 0.00 -2.27 0.00 0.00 64.05 61.21 2a55 n THR 19 Cb 0.42 0.63 0.01 0.00 -2.10 0.00 0.00 70.33 69.29 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 -1.89 2.41 0.00 -0.78 0.41 -1.24 -5.06 118.70 112.55 2a55 s GLU 20 Ca 0.35 -1.69 0.00 0.00 -0.41 0.00 0.00 54.97 53.22 2a55 s GLU 20 Cb 0.20 -2.41 0.00 0.00 -1.78 0.00 0.00 34.13 30.14 2a55 s GLU 20 CO 0.31 -0.52 0.00 0.25 -0.49 0.00 0.00 175.26 174.80 2a55 n THR 21 N -1.84 0.00 -4.42 3.63 -2.24 -1.26 -5.09 114.28 103.06 2a55 n THR 21 Ca 0.06 0.00 -0.25 0.00 -2.27 0.00 0.00 64.05 61.59 2a55 n THR 21 Cb 0.62 -0.31 -0.11 0.00 -2.10 0.00 0.00 70.33 68.43 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 -1.38 1.51 0.00 -0.78 0.52 -1.26 -3.99 118.95 113.58 2a55 s ARG 22 Ca 0.00 -1.57 0.00 0.00 -0.52 0.00 0.00 55.73 53.64 2a55 s ARG 22 Cb 0.00 -1.71 0.00 0.00 0.52 0.00 0.00 34.95 33.76 2a55 s ARG 22 CO 0.00 0.35 0.00 1.19 0.02 0.00 0.00 175.30 176.86 2a55 n PHE 23 N 0.01 0.00 -1.10 -0.53 3.01 -1.26 -5.11 117.46 112.49 2a55 n PHE 23 Ca -0.10 0.00 0.14 0.00 1.01 0.00 0.00 57.45 58.49 2a55 n PHE 23 Cb 0.57 0.01 -0.04 0.00 -0.01 0.00 0.00 39.48 40.01 2a55 n PHE 23 CO 0.00 0.00 0.00 1.63 1.01 0.00 0.00 176.76 179.40 2a55 n LYS 24 N 0.00 -2.14 -1.54 -1.08 5.02 -1.26 -4.14 118.16 113.02 2a55 n LYS 24 Ca 0.00 1.50 -0.29 0.00 -2.02 0.00 0.00 58.31 57.50 2a55 n LYS 24 Cb 0.20 -2.65 0.15 0.00 -0.02 0.00 0.00 35.03 32.71 2a55 n LYS 24 CO 0.00 0.00 0.00 0.95 -0.52 0.00 0.00 177.40 177.83 2a55 s THR 25 N -2.50 1.97 0.00 -0.18 -4.23 -1.26 -3.69 115.64 105.75 2a55 s THR 25 Ca 0.00 0.00 0.00 0.00 -1.18 0.00 0.00 61.69 60.51 2a55 s THR 25 Cb 0.00 -2.75 0.00 0.00 1.34 0.00 0.00 72.50 71.09 2a55 s THR 25 CO 0.00 0.00 0.00 0.61 -0.54 0.00 0.00 174.62 174.69 2a55 n GLY 26 N -2.27 2.23 3.45 3.99 0.00 -1.15 -4.86 105.19 106.58 2a55 n GLY 26 Ca 0.08 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.79 2a55 n GLY 26 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 2a55 n THR 27 N -0.40 0.00 -3.66 2.61 5.66 -1.24 -4.85 114.28 112.40 2a55 n THR 27 Ca 0.00 -0.29 -0.06 0.00 -3.05 0.00 0.00 64.05 60.65 2a55 n THR 27 Cb 0.00 -0.85 -0.07 0.00 -1.55 0.00 0.00 70.33 67.86 2a55 n THR 27 CO 0.00 0.00 0.00 -0.89 -3.05 0.00 0.00 175.07 171.13 2a55 s THR 28 N -2.41 -0.54 0.05 1.09 2.01 -1.26 -3.77 115.64 110.81 2a55 s THR 28 Ca 0.64 0.06 -0.00 0.00 0.31 0.00 0.00 61.69 62.70 2a55 s THR 28 Cb -0.21 -0.84 0.01 0.00 0.01 0.00 0.00 72.50 71.47 2a55 s THR 28 CO 0.64 0.03 0.07 0.18 -0.69 0.00 0.00 174.62 174.85 2a55 n LEU 29 N 5.02 0.00 0.00 4.42 4.32 -0.84 -4.90 117.00 125.02 2a55 n LEU 29 Ca -0.14 -0.13 0.00 0.00 -0.02 0.00 0.00 56.01 55.72 2a55 n LEU 29 Cb 0.52 -0.04 0.00 0.00 -1.62 0.00 0.00 43.42 42.28 2a55 n LEU 29 CO -0.01 -0.53 0.00 1.17 -1.22 0.00 0.00 177.39 176.80 2a55 n LYS 30 N -1.12 0.00 -0.89 3.23 3.00 -1.26 -4.18 118.16 116.93 2a55 n LYS 30 Ca 0.01 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.32 2a55 n LYS 30 Cb 0.04 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.07 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 -0.64 -2.38 -4.51 5.64 4.01 -1.26 -3.81 117.16 114.22 2a55 n TYR 31 Ca 0.00 1.25 -0.30 0.00 -0.16 0.00 0.00 57.90 58.69 2a55 n TYR 31 Cb 0.00 -2.46 -0.06 0.00 -0.31 0.00 0.00 39.34 36.50 2a55 n TYR 31 CO 0.00 0.00 0.00 -0.08 -0.46 0.00 0.00 176.86 176.32 2a55 s THR 32 N -2.18 1.45 -0.20 -0.72 -1.32 0.11 -4.82 115.64 107.96 2a55 s THR 32 Ca 0.00 -1.87 0.01 0.00 -1.21 0.00 0.00 61.69 58.63 2a55 s THR 32 Cb 0.00 -2.32 0.03 0.00 -1.51 0.00 0.00 72.50 68.70 2a55 s THR 32 CO 0.00 0.00 -0.16 0.00 -2.21 0.00 0.00 174.62 172.25 2a55 n LEU 34 N 4.60 -2.66 -4.59 0.00 4.77 -1.26 -4.82 117.00 113.03 2a55 n LEU 34 Ca -0.18 0.03 -0.42 0.00 -0.03 0.00 0.00 56.01 55.41 2a55 n LEU 34 Cb 0.48 -0.84 -0.02 0.00 -2.33 0.00 0.00 43.42 40.70 2a55 n LEU 34 CO 0.24 -3.43 1.37 -2.84 -1.33 0.00 0.00 177.39 171.40 2a55 s PRO 35 N -2.87 3.36 0.00 3.23 0.02 -1.26 -3.63 135.00 133.84 2a55 s PRO 35 Ca 0.48 0.97 0.00 0.00 0.02 0.00 0.00 61.00 62.47 2a55 s PRO 35 Cb -0.08 -4.13 0.00 0.00 0.02 0.00 0.00 34.50 30.31 2a55 s PRO 35 CO 0.69 -1.84 0.00 0.41 -0.33 0.00 0.00 177.00 175.93 2a55 n GLY 36 N 5.28 0.34 3.83 0.52 0.00 -1.26 -5.12 105.19 108.79 2a55 n GLY 36 Ca 0.18 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.87 2a55 n GLY 36 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2a55 s TYR 37 N 0.00 3.35 0.00 1.61 1.51 -1.24 -3.05 117.35 119.53 2a55 s TYR 37 Ca 0.00 1.43 0.00 0.00 -1.01 0.00 0.00 57.07 57.49 2a55 s TYR 37 Cb 0.00 -2.71 0.00 0.00 -0.11 0.00 0.00 41.96 39.14 2a55 s TYR 37 CO 0.00 -0.04 0.00 1.33 -1.11 0.00 0.00 175.55 175.73 2a55 n VAL 38 N -0.60 0.00 -0.67 0.71 0.24 0.24 -4.80 118.33 113.45 2a55 n VAL 38 Ca 0.05 0.00 -0.18 0.00 -2.04 0.00 0.00 64.34 62.18 2a55 n VAL 38 Cb 0.54 0.00 -0.07 0.00 -1.47 0.00 0.00 33.84 32.84 2a55 n VAL 38 CO 0.00 0.00 0.00 -1.14 -2.14 0.00 0.00 176.83 173.55 2a55 n ARG 39 N 0.00 0.00 0.00 7.34 3.00 -1.26 -3.11 116.66 122.63 2a55 n ARG 39 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.85 2a55 n ARG 39 Cb 0.00 -0.65 0.00 0.00 0.00 0.00 0.00 32.46 31.81 2a55 n ARG 39 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.63 178.08 2a55 n SER 40 N 4.48 0.00 -4.64 6.15 2.88 -1.26 -4.54 113.62 116.69 2a55 n SER 40 Ca 0.29 0.00 -0.42 0.00 -1.33 0.00 0.00 58.87 57.41 2a55 n SER 40 Cb 0.02 0.00 -0.03 0.00 -0.75 0.00 0.00 64.21 63.45 2a55 n SER 40 CO 0.00 0.00 0.00 -1.38 -1.23 0.00 0.00 175.04 172.43 2a55 s HIS 41 N 0.00 1.54 0.00 0.66 -3.43 -1.26 -2.70 115.29 110.10 2a55 s HIS 41 Ca 0.00 0.05 0.00 0.00 -0.80 0.00 0.00 55.06 54.31 2a55 s HIS 41 Cb 0.00 -4.07 0.00 0.00 -1.43 0.00 0.00 32.58 27.08 2a55 s HIS 41 CO 0.00 -4.46 0.00 0.45 -2.00 0.00 0.00 174.74 168.73 2a55 n SER 42 N 8.44 0.00 -0.93 7.38 2.88 -1.26 -4.97 113.62 125.17 2a55 n SER 42 Ca 0.21 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.75 2a55 n SER 42 Cb 0.43 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.89 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 -5.08 114.28 109.36 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 0.00 -0.64 0.00 0.00 175.07 174.43 2a55 n GLN 44 N 0.00 0.00 -3.65 -2.82 10.64 -1.26 -4.72 117.38 115.57 2a55 n GLN 44 Ca 0.00 0.00 -0.15 0.00 -1.83 0.00 0.00 57.00 55.02 2a55 n GLN 44 Cb 0.00 0.00 -0.08 0.00 -0.86 0.00 0.00 30.24 29.30 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 0.00 0.01 -0.31 -0.39 -4.23 -1.25 -4.48 115.64 104.99 2a55 s THR 45 Ca 0.00 -0.09 -0.06 0.00 -1.18 0.00 0.00 61.69 60.36 2a55 s THR 45 Cb 0.00 -0.82 0.02 0.00 1.34 0.00 0.00 72.50 73.05 2a55 s THR 45 CO 0.00 -0.05 0.08 -0.76 -0.54 0.00 0.00 174.62 173.35 2a55 s LEU 46 N -0.41 3.95 -0.06 4.79 1.02 -1.26 -4.77 118.68 121.94 2a55 s LEU 46 Ca -0.06 -0.87 0.03 0.00 0.02 0.00 0.00 54.13 53.26 2a55 s LEU 46 Cb -0.03 -1.86 -0.02 0.00 0.02 0.00 0.00 46.19 44.30 2a55 s LEU 46 CO 0.04 -0.23 -0.14 -0.89 0.02 0.00 0.00 176.35 175.15 2a55 s THR 47 N 1.45 3.09 -0.25 5.49 2.01 -1.24 -1.98 115.64 124.21 2a55 s THR 47 Ca 0.01 -0.71 -0.29 0.00 0.31 0.00 0.00 61.69 61.01 2a55 s THR 47 Cb -0.18 -2.22 -0.01 0.00 0.01 0.00 0.00 72.50 70.10 2a55 s THR 47 CO 0.02 0.59 1.46 0.00 -0.69 0.00 0.00 174.62 175.99 2a55 n ASN 49 N 7.96 0.09 -3.16 0.00 0.23 -1.07 -2.93 115.26 116.37 2a55 n ASN 49 Ca 0.17 -1.07 -0.36 0.00 -0.53 0.00 0.00 54.58 52.78 2a55 n ASN 49 Cb 0.46 -0.04 0.01 0.00 -2.08 0.00 0.00 39.78 38.13 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 -2.99 6.47 0.00 0.53 2.88 -1.26 -4.37 113.62 114.88 2a55 n SER 50 Ca 0.01 -3.73 0.00 0.00 -1.33 0.00 0.00 58.87 53.82 2a55 n SER 50 Cb 0.04 -0.93 0.00 0.00 -0.75 0.00 0.00 64.21 62.57 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 -0.28 2.45 0.00 -3.46 8.00 -1.26 -5.03 116.55 116.97 2a55 n ASP 51 Ca 0.44 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.94 2a55 n ASP 51 Cb 0.33 0.02 0.00 0.00 -0.02 0.00 0.00 41.12 41.45 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 2.66 -0.66 0.00 0.44 0.00 -1.26 -5.12 105.19 101.24 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 -3.53 1.61 0.00 -1.26 -4.59 120.64 112.88 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 -0.10 0.00 0.00 0.00 0.00 31.44 31.34 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 -2.88 3.24 0.17 -1.84 0.52 -1.26 -2.61 118.94 114.27 2a55 s TRP 54 Ca 0.00 0.23 0.03 0.00 0.02 0.00 0.00 56.10 56.38 2a55 s TRP 54 Cb 0.00 -2.44 -0.03 0.00 -1.15 0.00 0.00 33.47 29.85 2a55 s TRP 54 CO 0.00 -0.17 0.29 0.08 0.02 0.00 0.00 176.95 177.17 2a55 s VAL 55 N 1.81 5.22 0.00 4.03 1.01 -1.15 -4.95 120.40 126.38 2a55 s VAL 55 Ca 0.10 -0.81 0.00 0.00 0.00 0.00 0.00 61.98 61.27 2a55 s VAL 55 Cb -0.16 -3.73 0.00 0.00 0.00 0.00 0.00 36.38 32.50 2a55 s VAL 55 CO 0.10 -0.15 0.00 0.00 0.00 0.00 0.00 175.10 175.05 2a55 n TYR 56 N -0.75 0.00 -2.45 5.22 0.18 -1.26 -3.73 117.16 114.38 2a55 n TYR 56 Ca -0.08 0.00 -0.24 0.00 1.88 0.00 0.00 57.90 59.47 2a55 n TYR 56 Cb 0.55 0.00 0.05 0.00 -0.38 0.00 0.00 39.34 39.56 2a55 n TYR 56 CO 0.00 0.00 0.00 -0.80 -2.08 0.00 0.00 176.86 173.98 2a55 s ASN 57 N 0.00 5.12 -1.15 9.48 -0.87 -1.26 -4.98 114.94 121.28 2a55 s ASN 57 Ca 0.00 0.26 -0.05 0.00 -1.57 0.00 0.00 52.86 51.49 2a55 s ASN 57 Cb 0.00 -1.06 0.11 0.00 -0.02 0.00 0.00 41.25 40.28 2a55 s ASN 57 CO 0.00 -1.32 2.46 0.41 -2.57 0.00 0.00 177.10 176.08 2a55 n THR 58 N -2.60 4.88 -1.69 1.60 -1.04 -1.26 -4.95 114.28 109.23 2a55 n THR 58 Ca 0.07 -4.08 -0.44 0.00 -2.04 0.00 0.00 64.05 57.57 2a55 n THR 58 Cb 0.60 -1.97 -0.02 0.00 -1.82 0.00 0.00 70.33 67.11 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 1.54 2.31 -1.73 -1.42 1.16 -1.26 -4.46 117.46 113.60 2a55 n PHE 59 Ca 0.60 0.41 0.00 0.00 -1.87 0.00 0.00 57.45 56.58 2a55 n PHE 59 Cb 0.31 -2.48 0.00 0.00 -1.61 0.00 0.00 39.48 35.69 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 -0.40 1.55 -0.18 0.00 -4.36 -1.18 -4.87 121.20 111.76 2a55 s ILE 61 Ca 0.00 -0.67 -0.29 0.00 -0.26 0.00 0.00 60.65 59.42 2a55 s ILE 61 Cb 0.00 -1.49 -0.03 0.00 1.25 0.00 0.00 42.46 42.19 2a55 s ILE 61 CO 0.00 0.40 1.59 -0.47 0.24 0.00 0.00 174.94 176.70 2a55 s TYR 62 N 1.49 2.15 -0.40 1.37 6.14 -1.26 -0.60 117.35 126.25 2a55 s TYR 62 Ca 0.04 0.52 0.03 0.00 0.64 0.00 0.00 57.07 58.30 2a55 s TYR 62 Cb -0.13 -3.92 0.18 0.00 0.42 0.00 0.00 41.96 38.51 2a55 s TYR 62 CO -0.10 -3.00 0.77 -1.59 0.64 0.00 0.00 175.55 172.27 2a55 s LYS 63 N 4.43 0.65 0.81 4.97 -2.85 -1.17 -4.97 119.74 121.61 2a55 s LYS 63 Ca 0.70 -0.30 -0.05 0.00 -1.00 0.00 0.00 55.97 55.32 2a55 s LYS 63 Cb -0.26 0.06 0.16 0.00 -2.06 0.00 0.00 37.83 35.73 2a55 s LYS 63 CO 0.28 -0.92 1.11 -0.98 0.10 0.00 0.00 175.35 174.94 2a55 s ARG 64 N 1.72 1.24 -0.04 1.78 1.70 -1.26 -3.28 118.95 120.81 2a55 s ARG 64 Ca 0.18 -1.02 0.04 0.00 -0.47 0.00 0.00 55.73 54.46 2a55 s ARG 64 Cb -0.01 -2.19 -0.03 0.00 -0.57 0.00 0.00 34.95 32.16 2a55 s ARG 64 CO -0.09 -1.83 -0.15 0.00 -1.08 0.00 0.00 175.30 172.16 2a55 n ARG 66 N 2.27 2.35 -1.68 0.00 3.00 -1.26 -4.76 116.66 116.57 2a55 n ARG 66 Ca -0.17 0.83 -0.45 0.00 -0.00 0.00 0.00 57.85 58.06 2a55 n ARG 66 Cb 0.52 -2.51 -0.04 0.00 0.00 0.00 0.00 32.46 30.44 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 1.11 2.46 0.23 -0.14 8.25 -1.26 -4.81 115.22 121.06 2a55 n HIS 67 Ca 0.06 -0.00 0.18 0.00 -0.26 0.00 0.00 57.72 57.70 2a55 n HIS 67 Cb 0.36 -2.67 0.82 0.00 1.12 0.00 0.00 29.99 29.62 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 8.01 0.00 0.00 -0.41 0.13 -1.98 -3.47 132.00 134.27 2a55 h PRO 68 Ca -0.46 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.67 2a55 h PRO 68 Cb 1.24 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.37 2a55 h PRO 68 CO 0.93 0.00 0.00 0.41 -0.23 0.00 0.00 178.00 179.11 2a55 n GLY 69 N -1.34 -1.00 3.74 1.56 0.00 -1.26 -4.66 105.19 102.24 2a55 n GLY 69 Ca 0.02 -2.15 -0.40 0.00 0.00 0.00 0.00 46.02 43.48 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 4.75 -0.66 1.61 2.12 -1.26 -4.88 118.70 120.38 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 -3.29 0.11 0.00 0.26 0.00 0.00 34.13 31.20 2a55 s GLU 70 CO 0.00 0.33 0.81 -1.17 -0.54 0.00 0.00 175.26 174.68 2a55 s LEU 71 N -0.76 5.24 0.01 2.70 0.20 -1.26 -5.01 118.68 119.79 2a55 s LEU 71 Ca 0.44 -1.49 -0.30 0.00 0.69 0.00 0.00 54.13 53.47 2a55 s LEU 71 Cb -0.27 -2.33 -0.08 0.00 -0.43 0.00 0.00 46.19 43.09 2a55 s LEU 71 CO 0.33 -1.14 1.82 -0.60 -0.29 0.00 0.00 176.35 176.47 2a55 s ARG 72 N 2.81 4.16 -0.78 1.98 3.52 -1.26 -0.84 118.95 128.53 2a55 s ARG 72 Ca 0.16 2.43 -0.01 0.00 -0.13 0.00 0.00 55.73 58.19 2a55 s ARG 72 Cb -0.20 -4.05 -0.01 0.00 -1.56 0.00 0.00 34.95 29.14 2a55 s ARG 72 CO 0.04 -0.90 0.65 0.09 -0.81 0.00 0.00 175.30 174.38 2a55 n ASN 73 N 7.22 -2.42 -3.97 -2.12 5.03 -1.26 -4.75 115.26 112.99 2a55 n ASN 73 Ca 0.19 -0.42 0.05 0.00 0.87 0.00 0.00 54.58 55.27 2a55 n ASN 73 Cb 0.42 -3.57 0.01 0.00 -1.02 0.00 0.00 39.78 35.61 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 -3.82 -0.27 -0.42 7.41 0.00 -0.02 -2.80 107.32 107.41 2a55 s GLY 74 Ca 0.04 0.29 0.04 0.00 0.00 0.00 0.00 44.72 45.09 2a55 s GLY 74 CO 0.48 6.01 0.45 -0.86 0.00 0.00 0.00 173.10 179.19 2a55 s GLN 75 N -2.00 0.83 -0.23 2.90 -2.07 -0.05 -4.52 119.66 114.52 2a55 s GLN 75 Ca 0.30 -1.31 -0.41 0.00 -1.82 0.00 0.00 55.36 52.12 2a55 s GLN 75 Cb 0.01 -0.77 -0.17 0.00 -1.09 0.00 0.00 33.01 30.99 2a55 s GLN 75 CO -0.04 -1.29 1.57 0.28 -1.32 0.00 0.00 175.29 174.49 2a55 n VAL 76 N 3.48 0.15 -2.40 3.63 0.31 -1.26 -3.81 118.33 118.44 2a55 n VAL 76 Ca 0.19 -0.03 -0.37 0.00 -0.01 0.00 0.00 64.34 64.12 2a55 n VAL 76 Cb 0.49 -0.87 -0.03 0.00 -0.91 0.00 0.00 33.84 32.51 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 2.50 3.36 0.12 5.55 2.12 0.29 -4.95 118.70 127.69 2a55 s GLU 77 Ca 0.96 -1.26 0.05 0.00 0.36 0.00 0.00 54.97 55.09 2a55 s GLU 77 Cb -1.16 -5.35 -0.04 0.00 0.26 0.00 0.00 34.13 27.84 2a55 s GLU 77 CO 0.65 -2.71 0.01 -1.50 -0.54 0.00 0.00 175.26 171.17 2a55 s ILE 78 N 6.58 3.98 0.00 -3.70 1.10 -1.26 -3.99 121.20 123.91 2a55 s ILE 78 Ca 0.56 -1.10 0.00 0.00 -0.51 0.00 0.00 60.65 59.60 2a55 s ILE 78 Cb -0.00 -2.93 0.00 0.00 0.15 0.00 0.00 42.46 39.68 2a55 s ILE 78 CO 0.01 0.05 0.00 2.29 -2.11 0.00 0.00 174.94 175.17 2a55 n LYS 79 N 0.33 0.00 0.00 3.50 0.00 -1.26 -4.95 118.16 115.78 2a55 n LYS 79 Ca -0.10 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.21 2a55 n LYS 79 Cb 0.53 0.00 0.00 0.00 -0.00 0.00 0.00 35.03 35.56 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 -1.24 0.00 -0.93 0.58 -2.24 -1.26 -4.78 114.28 104.41 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 -0.35 0.00 0.00 -2.10 0.00 0.00 70.33 67.88 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 -0.04 -5.22 -2.65 3.42 9.92 -1.26 -2.19 116.55 118.53 2a55 n ASP 81 Ca 0.00 0.00 -0.10 0.00 -0.53 0.00 0.00 54.79 54.16 2a55 n ASP 81 Cb 0.16 -3.35 0.05 0.00 -0.64 0.00 0.00 41.12 37.34 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 -4.15 -4.70 0.64 4.32 -1.26 -4.46 117.00 107.38 2a55 n LEU 82 Ca 0.00 -0.46 -0.40 0.00 -0.02 0.00 0.00 56.01 55.14 2a55 n LEU 82 Cb 0.43 -2.29 -0.05 0.00 -1.62 0.00 0.00 43.42 39.90 2a55 n LEU 82 CO 0.00 0.11 0.38 -0.94 -1.22 0.00 0.00 177.39 175.73 2a55 s SER 83 N -3.42 6.89 0.18 -1.43 1.04 -0.93 -0.06 113.70 115.97 2a55 s SER 83 Ca 0.23 1.08 -0.23 0.00 0.48 0.00 0.00 55.95 57.51 2a55 s SER 83 Cb -0.03 -2.39 -0.14 0.00 0.10 0.00 0.00 66.02 63.56 2a55 s SER 83 CO 0.49 -0.15 0.40 0.33 0.98 0.00 0.00 173.24 175.28 2a55 n PHE 84 N 4.11 -0.51 -2.14 5.02 7.35 -1.20 -3.23 117.46 126.86 2a55 n PHE 84 Ca -0.02 0.77 0.00 0.00 -0.76 0.00 0.00 57.45 57.45 2a55 n PHE 84 Cb 0.51 -1.60 0.00 0.00 0.35 0.00 0.00 39.48 38.74 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 1.66 0.90 3.15 7.13 0.00 -0.91 -4.70 105.19 112.42 2a55 n GLY 85 Ca 0.14 -0.58 -0.08 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 -2.86 0.27 -0.07 1.61 1.04 -1.20 -4.95 113.70 107.54 2a55 s SER 86 Ca 0.00 -0.76 0.05 0.00 0.48 0.00 0.00 55.95 55.71 2a55 s SER 86 Cb 0.00 0.27 -0.01 0.00 0.10 0.00 0.00 66.02 66.38 2a55 s SER 86 CO 0.00 -0.64 -0.22 -1.58 0.98 0.00 0.00 173.24 171.78 2a55 s GLN 87 N -3.68 2.67 -0.15 4.02 -0.44 -1.26 -1.33 119.66 119.49 2a55 s GLN 87 Ca 0.04 -0.85 0.00 0.00 -2.50 0.00 0.00 55.36 52.05 2a55 s GLN 87 Cb 0.05 -2.26 0.03 0.00 -1.64 0.00 0.00 33.01 29.19 2a55 s GLN 87 CO -0.10 0.39 -0.11 0.96 0.50 0.00 0.00 175.29 176.93 2a55 s ILE 88 N -0.16 1.38 0.75 -2.34 -4.36 -0.32 -4.89 121.20 111.26 2a55 s ILE 88 Ca -0.03 -0.59 -0.12 0.00 -0.26 0.00 0.00 60.65 59.65 2a55 s ILE 88 Cb -0.14 -1.37 0.17 0.00 1.25 0.00 0.00 42.46 42.37 2a55 s ILE 88 CO 0.04 0.36 1.02 -0.62 0.24 0.00 0.00 174.94 175.97 2a55 n GLU 89 N 4.82 -0.93 -4.26 0.37 1.02 -1.25 -2.30 120.64 118.10 2a55 n GLU 89 Ca -0.15 -1.65 -0.21 0.00 -0.02 0.00 0.00 57.16 55.13 2a55 n GLU 89 Cb 0.49 -1.03 -0.08 0.00 -0.02 0.00 0.00 31.44 30.81 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 -3.37 -0.56 -3.15 -0.32 3.01 -1.19 -0.54 117.46 111.35 2a55 n PHE 90 Ca 0.13 -2.74 0.04 0.00 1.01 0.00 0.00 57.45 55.89 2a55 n PHE 90 Cb 0.45 0.21 -0.01 0.00 -0.01 0.00 0.00 39.48 40.13 2a55 n PHE 90 CO 0.00 0.00 0.00 -1.12 1.01 0.00 0.00 176.76 176.65 2a55 s SER 91 N -3.36 -1.36 -0.08 4.37 0.01 -1.25 -4.81 113.70 107.22 2a55 s SER 91 Ca 0.35 0.80 -0.27 0.00 1.31 0.00 0.00 55.95 58.14 2a55 s SER 91 Cb 0.02 2.12 -0.02 0.00 0.21 0.00 0.00 66.02 68.35 2a55 s SER 91 CO 0.25 -0.25 0.87 0.00 0.41 0.00 0.00 173.24 174.51 2a55 n SER 93 N 4.43 -2.73 0.00 0.00 7.64 -1.12 -4.55 113.62 117.29 2a55 n SER 93 Ca 0.04 -0.23 0.00 0.00 1.01 0.00 0.00 58.87 59.69 2a55 n SER 93 Cb 0.50 -0.70 0.00 0.00 -1.01 0.00 0.00 64.21 63.00 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 -0.54 0.00 0.00 1.43 2.13 -1.26 -1.27 120.64 121.12 2a55 n GLU 94 Ca 0.03 0.65 0.00 0.00 0.66 0.00 0.00 57.16 58.50 2a55 n GLU 94 Cb 0.37 -1.13 0.00 0.00 0.27 0.00 0.00 31.44 30.95 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 -0.99 0.67 3.42 8.31 0.00 -1.26 -4.70 105.19 110.64 2a55 n GLY 95 Ca 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.92 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 -0.05 -0.14 0.28 1.61 0.08 -0.40 -3.50 117.98 115.85 2a55 s PHE 96 Ca 0.00 -0.18 0.03 0.00 0.12 0.00 0.00 56.93 56.90 2a55 s PHE 96 Cb 0.00 0.32 -0.06 0.00 -0.57 0.00 0.00 43.02 42.71 2a55 s PHE 96 CO 0.00 -0.81 0.04 -0.59 -0.10 0.00 0.00 175.22 173.76 2a55 s PHE 97 N -3.84 1.73 0.11 0.36 -0.71 -0.95 -4.29 117.98 110.38 2a55 s PHE 97 Ca 0.07 -0.98 -0.24 0.00 -1.04 0.00 0.00 56.93 54.74 2a55 s PHE 97 Cb 0.00 -1.06 -0.07 0.00 -1.21 0.00 0.00 43.02 40.69 2a55 s PHE 97 CO -0.07 -0.07 0.72 -1.17 -1.34 0.00 0.00 175.22 173.29 2a55 s LEU 98 N -3.38 4.53 -0.27 -1.99 1.98 -1.26 -3.37 118.68 114.93 2a55 s LEU 98 Ca 0.34 1.49 -0.17 0.00 -2.89 0.00 0.00 54.13 52.90 2a55 s LEU 98 Cb 0.07 -3.18 0.08 0.00 0.66 0.00 0.00 46.19 43.82 2a55 s LEU 98 CO 0.13 0.17 0.66 -0.63 -1.89 0.00 0.00 176.35 174.78 2a55 s ILE 99 N -0.79 -0.00 0.00 6.68 1.01 -1.02 -4.99 121.20 122.09 2a55 s ILE 99 Ca 0.35 0.01 0.00 0.00 0.00 0.00 0.00 60.65 61.01 2a55 s ILE 99 Cb -0.21 -0.96 0.00 0.00 0.01 0.00 0.00 42.46 41.30 2a55 s ILE 99 CO 0.23 0.00 0.00 0.61 0.00 0.00 0.00 174.94 175.79 2a55 n GLY 100 N 4.02 3.12 0.00 6.18 0.00 -1.26 0.96 105.19 118.21 2a55 n GLY 100 Ca -0.19 -0.58 0.00 0.00 0.00 0.00 0.00 46.02 45.24 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 0.00 0.00 1.61 2.88 -1.26 -5.02 113.62 111.83 2a55 n SER 101 Ca 0.00 0.00 0.03 0.00 -1.33 0.00 0.00 58.87 57.57 2a55 n SER 101 Cb 0.00 0.00 0.13 0.00 -0.75 0.00 0.00 64.21 63.59 2a55 n SER 101 CO 0.00 0.00 0.00 1.07 -1.23 0.00 0.00 175.04 174.88 2a55 n THR 102 N 0.00 1.15 -4.36 2.46 5.66 -1.26 -4.57 114.28 113.35 2a55 n THR 102 Ca 0.00 0.29 -0.27 0.00 -3.05 0.00 0.00 64.05 61.01 2a55 n THR 102 Cb 0.00 -1.19 -0.11 0.00 -1.55 0.00 0.00 70.33 67.48 2a55 n THR 102 CO 0.00 0.00 0.00 0.42 -3.05 0.00 0.00 175.07 172.44 2a55 s THR 103 N -2.71 2.66 -0.18 1.09 -4.23 -1.26 -3.14 115.64 107.87 2a55 s THR 103 Ca 0.05 -1.83 -0.04 0.00 -1.18 0.00 0.00 61.69 58.69 2a55 s THR 103 Cb 0.04 -2.27 0.09 0.00 1.34 0.00 0.00 72.50 71.69 2a55 s THR 103 CO 0.09 -0.07 0.27 -0.44 -0.54 0.00 0.00 174.62 173.93 2a55 s SER 104 N -2.59 0.71 0.06 3.99 0.01 -0.97 -4.91 113.70 109.99 2a55 s SER 104 Ca 0.21 0.23 -0.10 0.00 1.31 0.00 0.00 55.95 57.60 2a55 s SER 104 Cb -0.09 0.67 -0.06 0.00 0.21 0.00 0.00 66.02 66.75 2a55 s SER 104 CO 0.11 -0.28 0.39 -0.13 0.41 0.00 0.00 173.24 173.74 2a55 s ARG 105 N 2.41 3.77 -0.40 12.44 0.52 -1.26 -1.17 118.95 135.26 2a55 s ARG 105 Ca 0.05 0.19 -0.21 0.00 -0.52 0.00 0.00 55.73 55.24 2a55 s ARG 105 Cb -0.14 -3.03 0.01 0.00 0.52 0.00 0.00 34.95 32.31 2a55 s ARG 105 CO -0.11 0.59 0.66 0.00 0.02 0.00 0.00 175.30 176.45 2a55 s GLU 107 N 2.84 2.25 -0.04 0.00 2.12 -1.26 -2.15 118.70 122.46 2a55 s GLU 107 Ca 0.24 -1.71 0.01 0.00 0.36 0.00 0.00 54.97 53.87 2a55 s GLU 107 Cb -0.14 -2.05 0.02 0.00 0.26 0.00 0.00 34.13 32.22 2a55 s GLU 107 CO 0.18 0.01 -0.05 0.08 -0.54 0.00 0.00 175.26 174.94 2a55 s VAL 108 N -2.52 0.54 -0.04 3.70 1.01 -1.26 0.17 120.40 122.01 2a55 s VAL 108 Ca 0.39 -0.13 0.03 0.00 0.00 0.00 0.00 61.98 62.27 2a55 s VAL 108 Cb 0.01 -0.56 0.00 0.00 0.00 0.00 0.00 36.38 35.83 2a55 s VAL 108 CO 0.22 0.23 -0.11 0.00 0.00 0.00 0.00 175.10 175.44 2a55 s GLN 109 N 0.91 1.22 3.04 2.72 -2.07 -1.26 -4.73 119.66 119.49 2a55 s GLN 109 Ca -0.11 -0.37 0.00 0.00 -1.82 0.00 0.00 55.36 53.06 2a55 s GLN 109 Cb -0.14 -1.09 0.00 0.00 -1.09 0.00 0.00 33.01 30.68 2a55 s GLN 109 CO 0.00 0.12 0.00 -0.25 -1.32 0.00 0.00 175.29 173.84 2a55 n ASP 110 N 3.38 0.00 -3.08 12.60 9.92 -1.26 -3.96 116.55 134.15 2a55 n ASP 110 Ca -0.19 0.00 0.01 0.00 -0.53 0.00 0.00 54.79 54.08 2a55 n ASP 110 Cb 0.53 0.00 -0.01 0.00 -0.64 0.00 0.00 41.12 41.01 2a55 n ASP 110 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 2a55 s ARG 111 N 0.00 0.62 0.00 -1.24 1.70 -1.26 -4.95 118.95 113.82 2a55 s ARG 111 Ca 0.00 -0.18 0.00 0.00 -0.47 0.00 0.00 55.73 55.08 2a55 s ARG 111 Cb 0.00 0.08 0.00 0.00 -0.57 0.00 0.00 34.95 34.46 2a55 s ARG 111 CO 0.00 -0.91 0.00 0.41 -1.08 0.00 0.00 175.30 173.72 2a55 n GLY 112 N 4.24 -0.24 1.44 3.88 0.00 -1.25 -5.11 105.19 108.15 2a55 n GLY 112 Ca 0.09 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.11 2a55 n GLY 112 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 2a55 n VAL 113 N 0.00 -4.92 -3.55 1.61 0.31 -1.26 -4.93 118.33 105.59 2a55 n VAL 113 Ca 0.00 2.18 -0.29 0.00 -0.01 0.00 0.00 64.34 66.22 2a55 n VAL 113 Cb 0.00 -3.00 -0.12 0.00 -0.91 0.00 0.00 33.84 29.81 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 -3.28 1.31 0.53 2.92 0.00 0.13 -4.62 107.32 104.31 2a55 s GLY 114 Ca 0.00 -2.34 -0.16 0.00 0.00 0.00 0.00 44.72 42.22 2a55 s GLY 114 CO 0.00 1.87 -0.21 0.79 0.00 0.00 0.00 173.10 175.55 2a55 n TRP 115 N 3.49 -2.99 -0.11 1.90 7.02 -1.26 -4.26 117.44 121.25 2a55 n TRP 115 Ca 0.15 0.35 -0.14 0.00 -1.02 0.00 0.00 57.50 56.85 2a55 n TRP 115 Cb 0.39 -1.51 -0.12 0.00 -2.42 0.00 0.00 31.31 27.64 2a55 n TRP 115 CO 0.00 0.00 0.00 0.43 -2.02 0.00 0.00 177.69 176.10 2a55 n SER 116 N 2.44 1.66 -3.64 -0.99 7.64 -1.26 -4.91 113.62 114.56 2a55 n SER 116 Ca 0.06 -0.08 -0.07 0.00 1.01 0.00 0.00 58.87 59.78 2a55 n SER 116 Cb 0.44 0.07 -0.07 0.00 -1.01 0.00 0.00 64.21 63.64 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 -2.45 -0.80 0.00 1.43 5.65 -1.26 -5.12 115.29 112.73 2a55 s HIS 117 Ca -0.24 1.70 0.00 0.00 0.25 0.00 0.00 55.06 56.77 2a55 s HIS 117 Cb 0.07 0.46 0.00 0.00 -1.18 0.00 0.00 32.58 31.93 2a55 s HIS 117 CO 0.60 -0.40 0.00 -0.35 -0.65 0.00 0.00 174.74 173.94 2a55 n PRO 118 N 3.57 3.51 -1.48 2.88 -0.04 -1.26 -4.80 135.00 137.38 2a55 n PRO 118 Ca -0.17 0.00 -0.45 0.00 -0.04 0.00 0.00 63.50 62.84 2a55 n PRO 118 Cb 0.57 0.00 -0.01 0.00 -0.04 0.00 0.00 33.50 34.02 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 0.17 0.00 1.53 7.99 -1.26 -4.99 117.00 120.44 2a55 n LEU 119 Ca 0.00 1.08 0.00 0.00 -0.01 0.00 0.00 56.01 57.08 2a55 n LEU 119 Cb 0.00 -1.12 0.00 0.00 -0.11 0.00 0.00 43.42 42.19 2a55 n LEU 119 CO 0.00 -2.41 0.00 -0.81 -1.51 0.00 0.00 177.39 172.66 2a55 n PRO 120 N 0.80 0.77 -3.64 3.23 -0.05 -1.26 -5.03 135.00 129.82 2a55 n PRO 120 Ca 0.13 0.00 -0.23 0.00 -0.05 0.00 0.00 63.50 63.34 2a55 n PRO 120 Cb 0.32 0.00 -0.17 0.00 -0.05 0.00 0.00 33.50 33.60 2a55 n PRO 120 CO 0.00 0.00 0.00 -1.14 -0.05 0.00 0.00 175.50 174.31 2a55 s GLN 121 N 0.73 0.01 -0.45 0.54 -0.44 0.27 -4.97 119.66 115.36 2a55 s GLN 121 Ca 0.00 0.12 -0.16 0.00 -2.50 0.00 0.00 55.36 52.82 2a55 s GLN 121 Cb 0.00 -1.24 0.05 0.00 -1.64 0.00 0.00 33.01 30.18 2a55 s GLN 121 CO 0.00 -0.51 0.38 0.00 0.50 0.00 0.00 175.29 175.66 2a55 s GLU 123 N 1.77 1.79 0.59 0.00 2.12 -1.22 -4.89 118.70 118.86 2a55 s GLU 123 Ca 0.06 -1.01 -0.19 0.00 0.36 0.00 0.00 54.97 54.19 2a55 s GLU 123 Cb -0.21 -1.88 -0.04 0.00 0.26 0.00 0.00 34.13 32.26 2a55 s GLU 123 CO 0.09 0.50 1.13 1.51 -0.54 0.00 0.00 175.26 177.95 2a55 n ILE 124 N 2.01 4.01 -0.48 -3.70 3.06 -1.25 -2.25 119.36 120.77 2a55 n ILE 124 Ca -0.17 -0.50 -0.02 0.00 -2.50 0.00 0.00 62.75 59.57 2a55 n ILE 124 Cb 0.52 -1.34 0.01 0.00 0.54 0.00 0.00 39.64 39.37 2a55 n ILE 124 CO 0.00 0.00 0.00 0.18 -2.50 0.00 0.00 176.55 174.23 2a55 n LEU 125 N -1.06 0.00 -0.71 9.51 4.77 -1.23 -4.85 117.00 123.43 2a55 n LEU 125 Ca 0.13 -0.06 0.11 0.00 -0.03 0.00 0.00 56.01 56.16 2a55 n LEU 125 Cb 0.47 -0.05 0.05 0.00 -2.33 0.00 0.00 43.42 41.55 2a55 n LEU 125 CO 0.50 -1.11 0.47 -1.84 -1.33 0.00 0.00 177.39 174.08 2a55 n GLU 126 N -1.72 1.76 -4.75 3.23 0.00 -1.26 -4.91 120.64 112.99 2a55 n GLU 126 Ca 0.01 -1.45 -0.33 0.00 0.00 0.00 0.00 57.16 55.39 2a55 n GLU 126 Cb 0.03 -1.43 -0.13 0.00 0.00 0.00 0.00 31.44 29.90 2a55 n GLU 126 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.13 175.55 2a55 s HIS 127 N -2.10 2.82 -0.08 -1.84 5.04 -1.26 -5.11 115.29 112.76 2a55 s HIS 127 Ca 0.22 -0.37 -0.14 0.00 -1.54 0.00 0.00 55.06 53.23 2a55 s HIS 127 Cb 0.18 -1.77 0.03 0.00 0.04 0.00 0.00 32.58 31.06 2a55 s HIS 127 CO 0.40 -0.00 0.35 -3.38 -2.34 0.00 0.00 174.74 169.77 2a55 s HIS 128 N -0.13 -0.31 0.00 3.88 -3.43 -1.26 -5.04 115.29 109.01 2a55 s HIS 128 Ca -0.01 0.65 0.00 0.00 -0.80 0.00 0.00 55.06 54.91 2a55 s HIS 128 Cb -0.13 0.13 0.00 0.00 -1.43 0.00 0.00 32.58 31.14 2a55 s HIS 128 CO 0.03 -0.30 0.59 -2.39 -2.00 0.00 0.00 174.74 170.68 2a55 n HIS 129 N 2.08 0.00 0.64 0.38 1.44 -1.26 -4.76 115.22 113.74 2a55 n HIS 129 Ca -0.17 -0.14 0.10 0.00 -2.01 0.00 0.00 57.72 55.49 2a55 n HIS 129 Cb 0.57 -0.01 0.42 0.00 0.12 0.00 0.00 29.99 31.09 2a55 n HIS 129 CO 0.00 0.00 0.00 -2.39 -2.81 0.00 0.00 176.34 171.14 2a55 n HIS 130 N -0.14 0.14 -4.03 -1.40 1.44 -1.26 -4.70 115.22 105.27 2a55 n HIS 130 Ca 0.00 0.05 -0.15 0.00 -2.01 0.00 0.00 57.72 55.61 2a55 n HIS 130 Cb 0.38 -0.58 -0.14 0.00 0.12 0.00 0.00 29.99 29.76 2a55 n HIS 130 CO 0.00 0.00 0.00 -1.58 -2.81 0.00 0.00 176.34 171.95 2a55 s HIS 131 N -3.04 0.29 -2.00 -1.40 5.04 -1.26 -5.37 115.29 107.55 2a55 s HIS 131 Ca 0.09 -0.05 0.24 0.00 -1.54 0.00 0.00 55.06 53.80 2a55 s HIS 131 Cb 0.12 -0.21 1.45 0.00 0.04 0.00 0.00 32.58 33.98 2a55 s HIS 131 CO 0.37 -0.02 1.81 0.72 -2.34 0.00 0.00 174.74 175.28