#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 3.66 0.37 7.83 0.02 -1.26 -4.58 114.94 120.99 2a55 s ASN 1 Ca 0.00 0.67 0.08 0.00 -1.02 0.00 0.00 52.86 52.59 2a55 s ASN 1 Cb 0.00 -1.05 -0.02 0.00 0.02 0.00 0.00 41.25 40.20 2a55 s ASN 1 CO 0.00 -2.43 0.32 0.00 0.02 0.00 0.00 177.10 175.02 2a55 s GLY 3 N -4.05 1.82 -0.31 0.00 0.00 -1.26 -4.66 107.32 98.86 2a55 s GLY 3 Ca 0.44 -0.09 -0.43 0.00 0.00 0.00 0.00 44.72 44.64 2a55 s GLY 3 CO 0.27 0.15 1.37 -1.05 0.00 0.00 0.00 173.10 173.83 2a55 n PRO 4 N -2.03 0.00 -1.28 2.90 -0.02 -1.25 -4.77 135.00 128.55 2a55 n PRO 4 Ca 0.05 0.00 -0.42 0.00 -2.02 0.00 0.00 63.50 61.10 2a55 n PRO 4 Cb 0.54 -1.46 -0.01 0.00 -0.02 0.00 0.00 33.50 32.55 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 2.99 0.00 -2.05 0.52 -0.02 -1.26 -4.97 135.00 130.21 2a55 n PRO 5 Ca 0.26 0.00 -0.29 0.00 -2.02 0.00 0.00 63.50 61.45 2a55 n PRO 5 Cb -0.01 -0.95 0.18 0.00 -0.02 0.00 0.00 33.50 32.71 2a55 n PRO 5 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 2a55 s PRO 6 N -0.95 0.65 -0.17 0.52 0.05 -1.26 -5.07 135.00 128.77 2a55 s PRO 6 Ca 0.58 -0.59 -0.11 0.00 0.05 0.00 0.00 61.00 60.93 2a55 s PRO 6 Cb -0.73 -1.91 -0.05 0.00 0.05 0.00 0.00 34.50 31.86 2a55 s PRO 6 CO 0.57 -2.36 0.19 0.99 0.05 0.00 0.00 177.00 176.44 2a55 s THR 7 N -3.81 5.38 0.03 1.26 2.01 -1.26 -5.02 115.64 114.24 2a55 s THR 7 Ca 0.74 0.32 0.00 0.00 0.31 0.00 0.00 61.69 63.06 2a55 s THR 7 Cb -0.03 -3.52 0.00 0.00 0.01 0.00 0.00 72.50 68.96 2a55 s THR 7 CO 0.52 0.45 0.00 0.18 -0.69 0.00 0.00 174.62 175.09 2a55 n LEU 8 N 3.30 0.00 0.08 4.42 4.77 -1.26 -5.10 117.00 123.21 2a55 n LEU 8 Ca -0.15 -0.20 0.00 0.00 -0.03 0.00 0.00 56.01 55.62 2a55 n LEU 8 Cb 0.52 0.02 0.00 0.00 -2.33 0.00 0.00 43.42 41.63 2a55 n LEU 8 CO 0.37 -0.08 -0.02 -1.20 -1.33 0.00 0.00 177.39 175.13 2a55 n SER 9 N -1.21 0.67 0.24 -1.43 7.64 -1.26 -4.73 113.62 113.54 2a55 n SER 9 Ca -0.01 0.24 0.14 0.00 1.01 0.00 0.00 58.87 60.25 2a55 n SER 9 Cb 0.04 -0.09 0.74 0.00 -1.01 0.00 0.00 64.21 63.89 2a55 n SER 9 CO 0.00 0.00 0.00 2.19 -3.01 0.00 0.00 175.04 174.22 2a55 h PHE 10 N 0.00 0.00 -3.10 1.43 -5.15 -1.85 -3.41 116.94 104.86 2a55 h PHE 10 Ca 0.00 0.00 -0.07 0.00 -0.20 0.00 0.00 57.97 57.70 2a55 h PHE 10 Cb 0.04 0.00 -0.16 0.00 0.22 0.00 0.00 35.95 36.05 2a55 h PHE 10 CO 0.00 0.00 -0.11 0.00 -2.00 0.00 0.00 178.31 176.20 2a55 s ALA 11 N -3.76 -0.97 0.03 12.09 0.00 -1.26 -1.91 121.76 125.98 2a55 s ALA 11 Ca -0.03 0.23 0.01 0.00 0.00 0.00 0.00 51.96 52.17 2a55 s ALA 11 Cb 0.08 0.40 -0.02 0.00 0.00 0.00 0.00 23.12 23.57 2a55 s ALA 11 CO 0.25 -0.48 -0.05 0.00 0.00 0.00 0.00 175.76 175.47 2a55 s ALA 12 N -2.69 0.37 0.38 0.00 0.00 -0.95 -4.14 121.76 114.72 2a55 s ALA 12 Ca -0.04 -0.74 -0.22 0.00 0.00 0.00 0.00 51.96 50.96 2a55 s ALA 12 Cb -0.00 0.12 -0.16 0.00 0.00 0.00 0.00 23.12 23.08 2a55 s ALA 12 CO -0.04 -0.12 0.14 -2.30 0.00 0.00 0.00 175.76 173.44 2a55 n PRO 13 N 1.36 0.00 0.00 0.00 -0.02 -1.26 -0.17 135.00 134.90 2a55 n PRO 13 Ca -0.22 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.26 2a55 n PRO 13 Cb 0.56 -1.00 0.00 0.00 -0.02 0.00 0.00 33.50 33.04 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 1.29 1.74 0.00 -0.52 1.56 -1.26 -4.48 117.12 115.45 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 0.38 -0.15 0.00 0.00 2.15 0.00 0.00 33.22 35.60 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 2.67 -0.07 6.12 2.03 -1.26 -4.79 116.55 121.25 2a55 n ASP 15 Ca 0.00 -0.10 -0.22 0.00 0.52 0.00 0.00 54.79 54.99 2a55 n ASP 15 Cb 0.00 0.74 -0.12 0.00 -0.72 0.00 0.00 41.12 41.01 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 -1.00 1.62 -1.39 5.18 3.06 -1.26 -4.98 119.36 120.59 2a55 n ILE 16 Ca 0.00 -0.46 -0.09 0.00 -2.50 0.00 0.00 62.75 59.70 2a55 n ILE 16 Cb 0.00 -1.75 -0.04 0.00 0.54 0.00 0.00 39.64 38.39 2a55 n ILE 16 CO 0.00 0.00 0.00 0.41 -2.50 0.00 0.00 176.55 174.46 2a55 n THR 17 N -3.76 -0.06 -3.38 9.51 -1.04 -1.26 -4.04 114.28 110.25 2a55 n THR 17 Ca -0.39 0.00 -0.24 0.00 -2.04 0.00 0.00 64.05 61.38 2a55 n THR 17 Cb 0.93 -1.23 0.02 0.00 -1.82 0.00 0.00 70.33 68.24 2a55 n THR 17 CO 0.00 0.00 0.00 -0.11 -0.64 0.00 0.00 175.07 174.32 2a55 n LEU 18 N -1.10 -2.96 0.00 -4.42 -0.00 -1.26 -4.89 117.00 102.37 2a55 n LEU 18 Ca -0.10 0.07 0.00 0.00 -0.00 0.00 0.00 56.01 55.98 2a55 n LEU 18 Cb 0.34 -1.60 0.00 0.00 -0.00 0.00 0.00 43.42 42.16 2a55 n LEU 18 CO 0.14 -0.58 0.00 1.07 -0.00 0.00 0.00 177.39 178.02 2a55 n THR 19 N 0.40 0.00 -2.90 1.96 5.66 -1.26 -5.09 114.28 113.05 2a55 n THR 19 Ca -0.05 0.00 -0.42 0.00 -3.05 0.00 0.00 64.05 60.53 2a55 n THR 19 Cb 0.61 0.01 -0.04 0.00 -1.55 0.00 0.00 70.33 69.36 2a55 n THR 19 CO 0.00 0.00 0.00 -0.70 -3.05 0.00 0.00 175.07 171.32 2a55 s GLU 20 N 0.00 4.22 -0.06 1.09 2.56 -1.26 -4.96 118.70 120.28 2a55 s GLU 20 Ca 0.00 0.94 -0.26 0.00 0.00 0.00 0.00 54.97 55.65 2a55 s GLU 20 Cb 0.00 -3.62 -0.22 0.00 2.00 0.00 0.00 34.13 32.29 2a55 s GLU 20 CO 0.00 -0.44 1.07 1.79 -0.56 0.00 0.00 175.26 177.12 2a55 h THR 21 N 5.34 1.55 -2.93 -1.70 1.35 -1.99 -3.45 112.91 111.08 2a55 h THR 21 Ca -0.25 -1.68 -0.47 0.00 -0.55 0.00 0.00 66.41 63.46 2a55 h THR 21 Cb 1.11 2.65 -0.15 0.00 -1.73 0.00 0.00 68.15 70.03 2a55 h THR 21 CO 0.86 0.44 -0.75 -0.13 -0.25 0.00 0.00 175.52 175.69 2a55 s ARG 22 N -3.41 1.33 0.00 4.72 0.52 -1.26 -3.81 118.95 117.04 2a55 s ARG 22 Ca -0.17 -1.56 0.00 0.00 -0.52 0.00 0.00 55.73 53.49 2a55 s ARG 22 Cb 0.00 -1.19 0.00 0.00 0.52 0.00 0.00 34.95 34.28 2a55 s ARG 22 CO 0.69 0.21 0.00 1.19 0.02 0.00 0.00 175.30 177.41 2a55 n PHE 23 N -0.24 0.00 -3.53 -0.53 3.01 -1.26 -5.07 117.46 109.83 2a55 n PHE 23 Ca -0.09 0.00 -0.07 0.00 1.01 0.00 0.00 57.45 58.30 2a55 n PHE 23 Cb 0.60 0.00 -0.02 0.00 -0.01 0.00 0.00 39.48 40.05 2a55 n PHE 23 CO 0.00 0.00 0.00 -1.59 1.01 0.00 0.00 176.76 176.18 2a55 s LYS 24 N 3.37 0.67 0.00 -1.08 -2.85 -1.26 -4.90 119.74 113.69 2a55 s LYS 24 Ca 0.00 -0.25 0.02 0.00 -1.00 0.00 0.00 55.97 54.74 2a55 s LYS 24 Cb 0.00 0.31 0.09 0.00 -2.06 0.00 0.00 37.83 36.17 2a55 s LYS 24 CO 0.00 -0.29 1.06 0.25 0.10 0.00 0.00 175.35 176.47 2a55 n THR 25 N -0.20 1.83 0.59 3.79 -2.24 -1.26 -0.29 114.28 116.51 2a55 n THR 25 Ca -0.06 0.46 0.06 0.00 -2.27 0.00 0.00 64.05 62.24 2a55 n THR 25 Cb 0.61 -1.42 -0.06 0.00 -2.10 0.00 0.00 70.33 67.35 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 -1.28 -0.17 3.56 3.38 0.00 -1.26 -4.00 105.19 105.42 2a55 n GLY 26 Ca 0.01 -0.36 -0.29 0.00 0.00 0.00 0.00 46.02 45.38 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 -2.11 2.09 -0.29 2.61 -1.32 0.61 -4.93 115.64 112.30 2a55 s THR 27 Ca 0.06 0.03 -0.13 0.00 -1.21 0.00 0.00 61.69 60.43 2a55 s THR 27 Cb 0.10 -2.14 0.13 0.00 -1.51 0.00 0.00 72.50 69.07 2a55 s THR 27 CO 0.49 -0.04 0.76 -0.89 -2.21 0.00 0.00 174.62 172.73 2a55 s THR 28 N -2.57 -0.56 0.00 5.08 2.01 -1.25 -4.06 115.64 114.29 2a55 s THR 28 Ca 0.67 0.00 0.00 0.00 0.31 0.00 0.00 61.69 62.67 2a55 s THR 28 Cb -0.24 -1.00 0.00 0.00 0.01 0.00 0.00 72.50 71.27 2a55 s THR 28 CO 0.62 0.00 0.00 0.18 -0.69 0.00 0.00 174.62 174.73 2a55 n LEU 29 N 4.90 0.00 0.01 4.42 7.99 -0.59 -4.93 117.00 128.81 2a55 n LEU 29 Ca -0.14 0.00 0.00 0.00 -0.01 0.00 0.00 56.01 55.86 2a55 n LEU 29 Cb 0.53 0.00 0.00 0.00 -0.11 0.00 0.00 43.42 43.84 2a55 n LEU 29 CO -0.03 -0.30 0.00 1.17 -1.51 0.00 0.00 177.39 176.72 2a55 n LYS 30 N -0.60 0.00 -1.52 3.23 0.00 -1.26 -4.52 118.16 113.49 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 -0.06 0.00 0.00 0.00 0.00 0.00 35.03 34.97 2a55 n LYS 30 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.40 178.06 2a55 n TYR 31 N -2.68 -3.93 -3.65 5.64 4.02 -1.26 -4.82 117.16 110.48 2a55 n TYR 31 Ca 0.00 2.05 -0.38 0.00 -0.01 0.00 0.00 57.90 59.56 2a55 n TYR 31 Cb 0.00 -3.28 -0.12 0.00 -0.02 0.00 0.00 39.34 35.92 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 -1.88 4.80 -0.23 -0.72 -1.32 0.76 -4.79 115.64 112.26 2a55 s THR 32 Ca 0.00 -0.12 -0.29 0.00 -1.21 0.00 0.00 61.69 60.07 2a55 s THR 32 Cb 0.00 -3.33 -0.02 0.00 -1.51 0.00 0.00 72.50 67.64 2a55 s THR 32 CO 0.00 0.21 1.57 0.00 -2.21 0.00 0.00 174.62 174.19 2a55 n LEU 34 N 8.33 -4.87 0.00 0.00 4.77 -0.80 -4.85 117.00 119.58 2a55 n LEU 34 Ca 0.18 0.13 0.00 0.00 -0.03 0.00 0.00 56.01 56.29 2a55 n LEU 34 Cb 0.45 -0.71 0.00 0.00 -2.33 0.00 0.00 43.42 40.84 2a55 n LEU 34 CO 0.64 -4.88 0.41 -2.65 -1.33 0.00 0.00 177.39 169.58 2a55 n PRO 35 N 2.23 0.00 0.00 3.23 -0.02 -1.26 -2.81 135.00 136.37 2a55 n PRO 35 Ca -0.02 0.44 0.00 0.00 -2.02 0.00 0.00 63.50 61.90 2a55 n PRO 35 Cb 0.62 -1.31 0.00 0.00 -0.02 0.00 0.00 33.50 32.78 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 -0.86 0.46 0.19 -1.23 0.00 -1.26 -3.97 105.19 98.52 2a55 n GLY 36 Ca 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 45.99 2a55 n GLY 36 CO 0.00 0.00 0.00 0.10 0.00 0.00 0.00 173.32 173.42 2a55 h TYR 37 N 0.48 -0.05 -3.19 1.61 -0.00 -1.65 -3.07 116.97 111.10 2a55 h TYR 37 Ca 0.00 0.04 0.18 0.00 -0.00 0.00 0.00 58.73 58.95 2a55 h TYR 37 Cb 0.18 0.10 -0.10 0.00 -0.00 0.00 0.00 36.73 36.90 2a55 h TYR 37 CO 0.00 -0.12 -0.94 1.33 -0.00 0.00 0.00 178.16 178.43 2a55 n VAL 38 N -5.24 -1.33 -1.24 -0.90 0.24 -1.25 0.72 118.33 109.33 2a55 n VAL 38 Ca 0.05 0.92 0.00 0.00 -2.04 0.00 0.00 64.34 63.26 2a55 n VAL 38 Cb 0.26 -1.44 0.00 0.00 -1.47 0.00 0.00 33.84 31.18 2a55 n VAL 38 CO 0.00 0.00 0.00 0.54 -2.14 0.00 0.00 176.83 175.23 2a55 n ARG 39 N -3.54 0.00 -3.13 7.34 1.74 -1.26 -3.27 116.66 114.54 2a55 n ARG 39 Ca -0.05 0.00 -0.00 0.00 -0.77 0.00 0.00 57.85 57.03 2a55 n ARG 39 Cb 0.49 0.00 -0.00 0.00 -1.02 0.00 0.00 32.46 31.93 2a55 n ARG 39 CO 0.00 0.00 0.00 0.43 -1.52 0.00 0.00 177.63 176.54 2a55 n SER 40 N -3.75 -7.02 0.00 0.55 7.64 -1.26 -4.34 113.62 105.44 2a55 n SER 40 Ca 0.00 0.66 0.00 0.00 1.01 0.00 0.00 58.87 60.54 2a55 n SER 40 Cb 0.00 -1.61 0.00 0.00 -1.01 0.00 0.00 64.21 61.59 2a55 n SER 40 CO 0.00 0.00 0.00 1.41 -3.01 0.00 0.00 175.04 173.44 2a55 n HIS 41 N 1.84 0.00 -0.04 1.43 8.25 -1.26 -2.44 115.22 123.00 2a55 n HIS 41 Ca -0.00 -0.07 0.24 0.00 -0.26 0.00 0.00 57.72 57.62 2a55 n HIS 41 Cb 0.28 -0.01 0.72 0.00 1.12 0.00 0.00 29.99 32.10 2a55 n HIS 41 CO 0.00 0.00 0.00 0.77 0.64 0.00 0.00 176.34 177.75 2a55 h SER 42 N 0.00 0.00 -4.06 0.41 0.02 -1.80 -3.48 113.55 104.65 2a55 h SER 42 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 2a55 h SER 42 Cb 0.29 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.83 2a55 h SER 42 CO 0.00 0.00 -0.96 0.41 -1.14 0.00 0.00 176.83 175.14 2a55 n THR 43 N -4.08 -5.60 0.00 -2.27 -1.04 -1.26 -5.00 114.28 95.04 2a55 n THR 43 Ca 0.13 2.58 0.00 0.00 -2.04 0.00 0.00 64.05 64.71 2a55 n THR 43 Cb 0.77 -3.49 0.00 0.00 -1.82 0.00 0.00 70.33 65.78 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 -0.55 2.49 -1.25 -2.82 -0.06 -1.26 -4.87 117.38 109.06 2a55 n GLN 44 Ca 0.00 0.00 0.17 0.00 -2.00 0.00 0.00 57.00 55.17 2a55 n GLN 44 Cb 0.00 -0.23 -0.04 0.00 -4.06 0.00 0.00 30.24 25.90 2a55 n GLN 44 CO 0.00 0.00 0.00 0.25 -0.20 0.00 0.00 177.06 177.11 2a55 n THR 45 N -0.05 0.00 -4.31 1.69 -2.24 -1.26 -4.78 114.28 103.33 2a55 n THR 45 Ca 0.00 0.01 -0.34 0.00 -2.27 0.00 0.00 64.05 61.45 2a55 n THR 45 Cb 0.00 -0.44 -0.14 0.00 -2.10 0.00 0.00 70.33 67.65 2a55 n THR 45 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 2a55 s LEU 46 N -6.31 2.77 0.16 3.22 1.43 -1.26 -4.67 118.68 114.03 2a55 s LEU 46 Ca 0.00 -0.37 0.07 0.00 -1.03 0.00 0.00 54.13 52.80 2a55 s LEU 46 Cb 0.00 -1.67 -0.04 0.00 0.03 0.00 0.00 46.19 44.51 2a55 s LEU 46 CO 0.00 0.07 -0.15 -0.89 0.23 0.00 0.00 176.35 175.61 2a55 s THR 47 N 0.94 1.56 -0.25 5.49 2.01 -1.25 -1.54 115.64 122.59 2a55 s THR 47 Ca -0.02 -1.97 -0.22 0.00 0.31 0.00 0.00 61.69 59.79 2a55 s THR 47 Cb -0.15 -1.81 -0.01 0.00 0.01 0.00 0.00 72.50 70.54 2a55 s THR 47 CO -0.00 -0.49 0.72 0.00 -0.69 0.00 0.00 174.62 174.16 2a55 s ASN 49 N 1.42 5.09 -1.34 0.00 2.20 -1.22 -4.15 114.94 116.94 2a55 s ASN 49 Ca 0.30 -0.56 -0.07 0.00 -0.94 0.00 0.00 52.86 51.59 2a55 s ASN 49 Cb -0.15 -0.11 0.11 0.00 -2.00 0.00 0.00 41.25 39.10 2a55 s ASN 49 CO 0.08 -1.29 2.27 -0.24 -2.94 0.00 0.00 177.10 174.97 2a55 n SER 50 N -2.29 7.00 0.00 3.54 2.88 -1.26 -3.60 113.62 119.89 2a55 n SER 50 Ca 0.13 -3.07 0.00 0.00 -1.33 0.00 0.00 58.87 54.60 2a55 n SER 50 Cb 0.61 -1.43 0.00 0.00 -0.75 0.00 0.00 64.21 62.64 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 2.75 0.00 -1.03 -3.46 9.92 -1.26 -5.00 116.55 118.47 2a55 n ASP 51 Ca 0.56 -1.00 -0.13 0.00 -0.53 0.00 0.00 54.79 53.69 2a55 n ASP 51 Cb 0.29 0.00 -0.06 0.00 -0.64 0.00 0.00 41.12 40.71 2a55 n ASP 51 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 2a55 n GLY 52 N 0.00 1.40 3.33 0.44 0.00 -1.24 -4.97 105.19 104.15 2a55 n GLY 52 Ca 0.00 -0.30 -0.18 0.00 0.00 0.00 0.00 46.02 45.55 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 -3.09 1.51 -0.37 1.61 -1.05 -1.26 -4.38 118.70 111.67 2a55 s GLU 53 Ca 0.00 -1.84 -0.16 0.00 -0.15 0.00 0.00 54.97 52.82 2a55 s GLU 53 Cb 0.00 -0.18 -0.00 0.00 -0.44 0.00 0.00 34.13 33.51 2a55 s GLU 53 CO 0.00 -0.38 0.37 -1.58 0.95 0.00 0.00 175.26 174.62 2a55 s TRP 54 N -3.68 3.20 0.09 4.83 0.52 -1.26 -3.42 118.94 119.22 2a55 s TRP 54 Ca 0.36 -0.17 -0.03 0.00 0.02 0.00 0.00 56.10 56.28 2a55 s TRP 54 Cb 0.06 -2.71 -0.05 0.00 -1.15 0.00 0.00 33.47 29.63 2a55 s TRP 54 CO 0.15 -0.51 0.29 0.08 0.02 0.00 0.00 176.95 176.99 2a55 s VAL 55 N 2.00 5.28 0.00 4.03 1.01 -1.23 -5.00 120.40 126.49 2a55 s VAL 55 Ca 0.11 -0.13 0.00 0.00 0.00 0.00 0.00 61.98 61.96 2a55 s VAL 55 Cb -0.17 -3.62 0.00 0.00 0.00 0.00 0.00 36.38 32.59 2a55 s VAL 55 CO 0.12 0.12 0.00 0.00 0.00 0.00 0.00 175.10 175.34 2a55 n TYR 56 N 0.29 0.00 -3.47 5.22 4.11 -1.26 -3.89 117.16 118.16 2a55 n TYR 56 Ca -0.04 0.00 0.00 0.00 -0.00 0.00 0.00 57.90 57.86 2a55 n TYR 56 Cb 0.52 0.00 0.00 0.00 -0.00 0.00 0.00 39.34 39.86 2a55 n TYR 56 CO 0.00 0.00 0.00 -1.71 -0.00 0.00 0.00 176.86 175.15 2a55 n ASN 57 N 0.00 1.18 -4.38 9.48 5.15 -1.26 -5.07 115.26 120.36 2a55 n ASN 57 Ca 0.00 -0.88 -0.45 0.00 -0.60 0.00 0.00 54.58 52.65 2a55 n ASN 57 Cb 0.00 0.00 -0.04 0.00 -0.53 0.00 0.00 39.78 39.21 2a55 n ASN 57 CO 0.00 0.00 0.00 -0.89 1.40 0.00 0.00 177.26 177.77 2a55 s THR 58 N 0.01 4.88 -1.93 -0.44 2.01 -1.26 -4.83 115.64 114.08 2a55 s THR 58 Ca 0.00 -1.18 0.29 0.00 0.31 0.00 0.00 61.69 61.11 2a55 s THR 58 Cb 0.00 -4.52 0.57 0.00 0.01 0.00 0.00 72.50 68.56 2a55 s THR 58 CO 0.00 -1.16 1.90 2.22 -0.69 0.00 0.00 174.62 176.88 2a55 n PHE 59 N 6.16 0.00 0.00 4.92 -1.74 -1.26 -4.37 117.46 121.16 2a55 n PHE 59 Ca -0.04 0.00 0.00 0.00 -0.56 0.00 0.00 57.45 56.85 2a55 n PHE 59 Cb 0.44 -0.10 0.00 0.00 1.52 0.00 0.00 39.48 41.34 2a55 n PHE 59 CO 0.00 0.00 0.00 0.00 -0.56 0.00 0.00 176.76 176.20 2a55 n ILE 61 N -0.20 0.00 0.00 0.00 -5.35 -1.19 -4.74 119.36 107.88 2a55 n ILE 61 Ca 0.00 0.00 0.00 0.00 -0.27 0.00 0.00 62.75 62.48 2a55 n ILE 61 Cb 0.00 0.00 0.00 0.00 -1.74 0.00 0.00 39.64 37.90 2a55 n ILE 61 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 2a55 n TYR 62 N 0.00 0.00 -3.64 4.28 4.19 0.22 -3.99 117.16 118.22 2a55 n TYR 62 Ca 0.00 0.00 -0.11 0.00 3.31 0.00 0.00 57.90 61.10 2a55 n TYR 62 Cb 0.00 0.00 -0.07 0.00 0.49 0.00 0.00 39.34 39.76 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 0.00 0.77 0.39 2.98 -2.85 -1.16 -5.00 119.74 114.87 2a55 s LYS 63 Ca 0.00 1.10 0.03 0.00 -1.00 0.00 0.00 55.97 56.11 2a55 s LYS 63 Cb 0.00 0.27 -0.01 0.00 -2.06 0.00 0.00 37.83 36.03 2a55 s LYS 63 CO 0.00 -0.12 0.11 2.89 0.10 0.00 0.00 175.35 178.33 2a55 n ARG 64 N 3.50 0.65 -4.34 1.78 1.85 -1.26 -1.41 116.66 117.43 2a55 n ARG 64 Ca -0.17 -3.24 -0.29 0.00 -1.00 0.00 0.00 57.85 53.15 2a55 n ARG 64 Cb 0.57 1.61 -0.12 0.00 -1.05 0.00 0.00 32.46 33.47 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 -2.27 4.27 0.00 0.00 3.00 -1.26 -4.76 118.95 117.93 2a55 s ARG 66 Ca 0.18 2.32 -0.33 0.00 -1.00 0.00 0.00 55.73 56.91 2a55 s ARG 66 Cb -0.10 -3.06 -0.11 0.00 0.00 0.00 0.00 34.95 31.68 2a55 s ARG 66 CO 0.09 -0.34 1.87 1.58 0.00 0.00 0.00 175.30 178.51 2a55 n HIS 67 N 1.26 2.42 -0.01 5.12 -0.00 -1.26 -4.81 115.22 117.93 2a55 n HIS 67 Ca 0.03 -0.10 0.23 0.00 -0.00 0.00 0.00 57.72 57.88 2a55 n HIS 67 Cb 0.41 -2.70 0.71 0.00 -0.00 0.00 0.00 29.99 28.41 2a55 n HIS 67 CO 0.00 0.00 0.00 -1.00 -0.00 0.00 0.00 176.34 175.34 2a55 h PRO 68 N 9.18 0.00 0.00 1.57 0.13 -1.97 -3.47 132.00 137.44 2a55 h PRO 68 Ca -0.48 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.65 2a55 h PRO 68 Cb 1.25 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.38 2a55 h PRO 68 CO 0.94 0.00 0.00 0.41 -0.23 0.00 0.00 178.00 179.12 2a55 n GLY 69 N -1.57 -1.63 3.74 1.56 0.00 -1.26 -4.59 105.19 101.44 2a55 n GLY 69 Ca 0.12 -2.06 -0.41 0.00 0.00 0.00 0.00 46.02 43.68 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 -0.62 1.61 2.56 -1.26 -4.85 118.70 120.89 2a55 s GLU 70 Ca 0.00 1.49 -0.18 0.00 0.00 0.00 0.00 54.97 56.29 2a55 s GLU 70 Cb 0.00 -3.33 0.12 0.00 2.00 0.00 0.00 34.13 32.92 2a55 s GLU 70 CO 0.00 0.31 0.68 -1.17 -0.56 0.00 0.00 175.26 174.52 2a55 s LEU 71 N -0.48 5.73 0.05 2.70 0.20 -1.26 -4.98 118.68 120.63 2a55 s LEU 71 Ca 0.45 -1.69 -0.30 0.00 0.69 0.00 0.00 54.13 53.28 2a55 s LEU 71 Cb -0.25 -2.27 -0.09 0.00 -0.43 0.00 0.00 46.19 43.15 2a55 s LEU 71 CO 0.31 -0.99 1.85 -0.60 -0.29 0.00 0.00 176.35 176.63 2a55 s ARG 72 N 2.14 4.15 -1.06 1.98 3.52 -1.26 -0.56 118.95 127.87 2a55 s ARG 72 Ca 0.11 2.51 -0.02 0.00 -0.13 0.00 0.00 55.73 58.20 2a55 s ARG 72 Cb -0.23 -3.92 0.00 0.00 -1.56 0.00 0.00 34.95 29.23 2a55 s ARG 72 CO 0.03 -0.88 0.89 0.09 -0.81 0.00 0.00 175.30 174.62 2a55 n ASN 73 N 6.77 -2.77 -3.75 -2.12 5.03 -1.26 -4.72 115.26 112.45 2a55 n ASN 73 Ca 0.18 -0.52 0.02 0.00 0.87 0.00 0.00 54.58 55.13 2a55 n ASN 73 Cb 0.41 -4.46 0.01 0.00 -1.02 0.00 0.00 39.78 34.72 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 -3.99 -0.14 -0.01 7.41 0.00 0.27 -2.82 107.32 108.05 2a55 s GLY 74 Ca 0.10 0.09 0.01 0.00 0.00 0.00 0.00 44.72 44.92 2a55 s GLY 74 CO 0.63 4.54 -0.04 1.20 0.00 0.00 0.00 173.10 179.43 2a55 s GLN 75 N -2.09 0.41 -0.36 2.90 -0.21 0.22 -4.46 119.66 116.06 2a55 s GLN 75 Ca 0.27 -0.14 -0.10 0.00 0.02 0.00 0.00 55.36 55.41 2a55 s GLN 75 Cb 0.00 -0.41 0.03 0.00 1.00 0.00 0.00 33.01 33.62 2a55 s GLN 75 CO -0.01 0.07 0.17 0.08 -2.12 0.00 0.00 175.29 173.48 2a55 s VAL 76 N 0.08 4.35 -0.59 1.09 1.01 -1.26 -1.60 120.40 123.48 2a55 s VAL 76 Ca -0.00 -0.90 -0.27 0.00 0.00 0.00 0.00 61.98 60.81 2a55 s VAL 76 Cb -0.04 -3.42 -0.02 0.00 0.00 0.00 0.00 36.38 32.90 2a55 s VAL 76 CO -0.00 -0.19 1.90 -0.70 0.00 0.00 0.00 175.10 176.10 2a55 s GLU 77 N 1.52 2.62 0.04 2.72 2.56 -0.90 -4.95 118.70 122.31 2a55 s GLU 77 Ca 0.01 0.71 0.09 0.00 0.00 0.00 0.00 54.97 55.78 2a55 s GLU 77 Cb -0.19 -4.39 -0.03 0.00 2.00 0.00 0.00 34.13 31.52 2a55 s GLU 77 CO 0.05 -2.74 -0.25 0.42 -0.56 0.00 0.00 175.26 172.19 2a55 s ILE 78 N 9.23 2.28 0.00 -3.70 -1.09 -1.26 -4.48 121.20 122.18 2a55 s ILE 78 Ca 0.70 -1.35 0.00 0.00 -2.23 0.00 0.00 60.65 57.77 2a55 s ILE 78 Cb -0.13 -1.90 0.00 0.00 -1.58 0.00 0.00 42.46 38.84 2a55 s ILE 78 CO 0.22 0.36 0.00 2.29 -1.23 0.00 0.00 174.94 176.58 2a55 n LYS 79 N 1.73 0.00 0.00 2.79 0.00 -1.26 -4.94 118.16 116.48 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 0.52 0.00 0.00 0.00 -0.00 0.00 0.00 35.03 35.55 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 -1.63 0.00 -1.02 0.58 -2.24 -1.26 -4.80 114.28 103.91 2a55 n THR 80 Ca 0.00 0.00 -0.01 0.00 -2.27 0.00 0.00 64.05 61.77 2a55 n THR 80 Cb 0.00 -0.20 -0.00 0.00 -2.10 0.00 0.00 70.33 68.03 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 -0.30 -5.83 -2.51 3.42 8.00 -1.26 -1.90 116.55 116.16 2a55 n ASP 81 Ca 0.00 0.01 -0.09 0.00 0.71 0.00 0.00 54.79 55.42 2a55 n ASP 81 Cb 0.08 -3.38 0.05 0.00 -0.02 0.00 0.00 41.12 37.84 2a55 n ASP 81 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 2a55 n LEU 82 N -0.06 -3.81 -4.70 0.64 7.99 -1.26 -4.61 117.00 111.18 2a55 n LEU 82 Ca -0.01 -0.40 -0.40 0.00 -0.01 0.00 0.00 56.01 55.19 2a55 n LEU 82 Cb 0.48 -2.10 -0.05 0.00 -0.11 0.00 0.00 43.42 41.64 2a55 n LEU 82 CO 0.01 0.12 0.42 -0.94 -1.51 0.00 0.00 177.39 175.50 2a55 s SER 83 N -3.46 6.92 0.16 -1.43 1.04 -0.80 -0.25 113.70 115.88 2a55 s SER 83 Ca 0.17 1.11 -0.21 0.00 0.48 0.00 0.00 55.95 57.50 2a55 s SER 83 Cb -0.02 -2.40 -0.13 0.00 0.10 0.00 0.00 66.02 63.57 2a55 s SER 83 CO 0.44 -0.19 0.36 0.33 0.98 0.00 0.00 173.24 175.16 2a55 n PHE 84 N 4.27 -0.45 -1.59 5.02 7.35 -0.50 -2.76 117.46 128.80 2a55 n PHE 84 Ca -0.00 0.70 0.00 0.00 -0.76 0.00 0.00 57.45 57.39 2a55 n PHE 84 Cb 0.51 -1.45 0.00 0.00 0.35 0.00 0.00 39.48 38.88 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 1.51 0.67 3.20 7.13 0.00 -1.10 -4.74 105.19 111.87 2a55 n GLY 85 Ca 0.13 -0.73 -0.15 0.00 0.00 0.00 0.00 46.02 45.28 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 -2.81 1.60 -0.05 1.61 1.04 -1.11 -4.95 113.70 109.02 2a55 s SER 86 Ca 0.00 -0.87 0.05 0.00 0.48 0.00 0.00 55.95 55.60 2a55 s SER 86 Cb 0.00 -0.00 -0.00 0.00 0.10 0.00 0.00 66.02 66.11 2a55 s SER 86 CO 0.00 -0.27 -0.19 -1.58 0.98 0.00 0.00 173.24 172.17 2a55 s GLN 87 N -3.07 2.10 -0.30 4.02 -0.44 -1.26 -1.41 119.66 119.30 2a55 s GLN 87 Ca 0.09 -0.70 0.02 0.00 -2.50 0.00 0.00 55.36 52.27 2a55 s GLN 87 Cb -0.01 -1.77 0.09 0.00 -1.64 0.00 0.00 33.01 29.67 2a55 s GLN 87 CO 0.00 0.26 0.02 0.96 0.50 0.00 0.00 175.29 177.03 2a55 s ILE 88 N 0.06 1.76 0.85 -2.34 -4.36 -0.75 -4.93 121.20 111.50 2a55 s ILE 88 Ca -0.06 -1.77 -0.10 0.00 -0.26 0.00 0.00 60.65 58.45 2a55 s ILE 88 Cb -0.13 -2.19 0.11 0.00 1.25 0.00 0.00 42.46 41.50 2a55 s ILE 88 CO 0.03 -0.43 1.13 -1.61 0.24 0.00 0.00 174.94 174.30 2a55 s GLU 89 N 1.21 1.52 0.51 0.37 2.02 -1.26 -3.87 118.70 119.19 2a55 s GLU 89 Ca 0.04 1.42 0.02 0.00 0.02 0.00 0.00 54.97 56.47 2a55 s GLU 89 Cb -0.19 -1.79 0.02 0.00 0.10 0.00 0.00 34.13 32.27 2a55 s GLU 89 CO -0.11 -2.24 0.15 1.19 0.02 0.00 0.00 175.26 174.28 2a55 n PHE 90 N -3.91 0.45 -3.27 1.61 3.72 -1.12 -2.12 117.46 112.82 2a55 n PHE 90 Ca 0.11 -2.35 0.03 0.00 -0.05 0.00 0.00 57.45 55.18 2a55 n PHE 90 Cb 0.52 -0.37 -0.02 0.00 -0.94 0.00 0.00 39.48 38.68 2a55 n PHE 90 CO 0.00 0.00 0.00 -1.54 -0.05 0.00 0.00 176.76 175.17 2a55 s SER 91 N -3.86 -1.18 -0.23 4.37 1.04 -0.63 -4.92 113.70 108.30 2a55 s SER 91 Ca 0.12 0.95 -0.24 0.00 0.48 0.00 0.00 55.95 57.25 2a55 s SER 91 Cb -0.01 2.07 -0.01 0.00 0.10 0.00 0.00 66.02 68.17 2a55 s SER 91 CO 0.07 -0.22 0.81 0.00 0.98 0.00 0.00 173.24 174.88 2a55 n SER 93 N 5.81 -2.50 -4.41 0.00 7.64 -1.13 -4.65 113.62 114.39 2a55 n SER 93 Ca 0.05 -0.11 -0.38 0.00 1.01 0.00 0.00 58.87 59.44 2a55 n SER 93 Cb 0.48 -0.86 0.04 0.00 -1.01 0.00 0.00 64.21 62.85 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 -1.18 0.36 0.00 1.43 4.07 -1.26 -1.62 120.64 122.44 2a55 n GLU 94 Ca 0.00 0.14 0.00 0.00 -0.06 0.00 0.00 57.16 57.24 2a55 n GLU 94 Cb 0.65 -1.54 0.00 0.00 -0.06 0.00 0.00 31.44 30.49 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 1.97 1.41 3.43 8.31 0.00 -1.26 -4.91 105.19 114.15 2a55 n GLY 95 Ca 0.10 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.78 2a55 n GLY 95 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2a55 s PHE 96 N 0.00 2.98 0.50 1.61 0.08 -0.64 -0.20 117.98 122.31 2a55 s PHE 96 Ca 0.00 -0.49 0.02 0.00 0.12 0.00 0.00 56.93 56.58 2a55 s PHE 96 Cb 0.00 -1.98 0.02 0.00 -0.57 0.00 0.00 43.02 40.49 2a55 s PHE 96 CO 0.00 -0.19 0.71 -0.59 -0.10 0.00 0.00 175.22 175.05 2a55 s PHE 97 N 0.66 2.94 0.08 0.36 -0.71 -0.20 -3.86 117.98 117.25 2a55 s PHE 97 Ca -0.03 -0.03 -0.20 0.00 -1.04 0.00 0.00 56.93 55.63 2a55 s PHE 97 Cb -0.15 -2.58 -0.07 0.00 -1.21 0.00 0.00 43.02 39.02 2a55 s PHE 97 CO 0.02 -0.67 0.60 -1.17 -1.34 0.00 0.00 175.22 172.67 2a55 s LEU 98 N -4.64 4.54 -0.27 -1.99 2.96 -1.26 -3.01 118.68 115.00 2a55 s LEU 98 Ca 0.55 1.32 -0.12 0.00 -0.22 0.00 0.00 54.13 55.65 2a55 s LEU 98 Cb -0.10 -2.96 0.10 0.00 0.50 0.00 0.00 46.19 43.74 2a55 s LEU 98 CO 0.37 0.26 0.63 -0.63 -1.32 0.00 0.00 176.35 175.66 2a55 s ILE 99 N -1.08 -0.54 0.00 6.68 1.01 -0.99 -5.00 121.20 121.28 2a55 s ILE 99 Ca 0.30 0.02 0.00 0.00 0.00 0.00 0.00 60.65 60.97 2a55 s ILE 99 Cb -0.20 -0.94 0.00 0.00 0.01 0.00 0.00 42.46 41.33 2a55 s ILE 99 CO 0.20 0.01 0.00 0.61 0.00 0.00 0.00 174.94 175.76 2a55 n GLY 100 N 4.96 0.77 2.54 6.18 0.00 -1.26 0.11 105.19 118.49 2a55 n GLY 100 Ca -0.15 -0.13 -0.05 0.00 0.00 0.00 0.00 46.02 45.69 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 -1.49 0.00 1.61 7.64 -1.26 -4.51 113.62 115.61 2a55 n SER 101 Ca 0.00 1.27 0.04 0.00 1.01 0.00 0.00 58.87 61.19 2a55 n SER 101 Cb 0.00 -5.01 0.20 0.00 -1.01 0.00 0.00 64.21 58.38 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 1.45 0.58 -4.40 0.44 -2.24 -1.26 -4.59 114.28 104.26 2a55 n THR 102 Ca -0.34 0.15 -0.25 0.00 -2.27 0.00 0.00 64.05 61.34 2a55 n THR 102 Cb 0.53 -1.03 -0.10 0.00 -2.10 0.00 0.00 70.33 67.64 2a55 n THR 102 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 2a55 s THR 103 N -2.38 2.75 -0.22 4.28 -4.23 -1.26 -2.79 115.64 111.80 2a55 s THR 103 Ca 0.08 -2.13 -0.04 0.00 -1.18 0.00 0.00 61.69 58.42 2a55 s THR 103 Cb 0.05 -2.42 0.11 0.00 1.34 0.00 0.00 72.50 71.58 2a55 s THR 103 CO 0.10 -0.30 0.35 -0.94 -0.54 0.00 0.00 174.62 173.29 2a55 s SER 104 N -3.29 0.34 0.12 3.99 1.04 -1.25 -4.96 113.70 109.68 2a55 s SER 104 Ca 0.28 0.33 -0.00 0.00 0.48 0.00 0.00 55.95 57.04 2a55 s SER 104 Cb -0.06 1.00 -0.04 0.00 0.10 0.00 0.00 66.02 67.02 2a55 s SER 104 CO 0.15 -0.29 0.29 -0.13 0.98 0.00 0.00 173.24 174.24 2a55 s ARG 105 N 2.51 3.48 -0.33 4.02 0.52 -1.26 -1.82 118.95 126.07 2a55 s ARG 105 Ca 0.08 -0.42 -0.14 0.00 -0.52 0.00 0.00 55.73 54.73 2a55 s ARG 105 Cb -0.15 -2.96 -0.02 0.00 0.52 0.00 0.00 34.95 32.35 2a55 s ARG 105 CO -0.14 0.53 0.30 0.00 0.02 0.00 0.00 175.30 176.01 2a55 s GLU 107 N 1.88 2.21 -0.03 0.00 2.12 -0.54 -2.71 118.70 121.63 2a55 s GLU 107 Ca 0.09 -2.35 0.01 0.00 0.36 0.00 0.00 54.97 53.09 2a55 s GLU 107 Cb -0.17 -1.62 0.02 0.00 0.26 0.00 0.00 34.13 32.62 2a55 s GLU 107 CO 0.11 -0.41 -0.04 0.08 -0.54 0.00 0.00 175.26 174.46 2a55 s VAL 108 N -2.86 0.46 -0.02 3.70 1.01 -1.26 0.98 120.40 122.41 2a55 s VAL 108 Ca 0.10 -0.11 0.05 0.00 0.00 0.00 0.00 61.98 62.01 2a55 s VAL 108 Cb 0.01 -0.47 -0.01 0.00 0.00 0.00 0.00 36.38 35.90 2a55 s VAL 108 CO 0.06 0.19 -0.17 -1.10 0.00 0.00 0.00 175.10 174.07 2a55 s GLN 109 N 0.70 1.42 1.31 2.72 -0.21 -1.26 -4.64 119.66 119.69 2a55 s GLN 109 Ca -0.09 -0.61 0.00 0.00 0.02 0.00 0.00 55.36 54.68 2a55 s GLN 109 Cb -0.12 -1.36 0.00 0.00 1.00 0.00 0.00 33.01 32.53 2a55 s GLN 109 CO -0.00 0.36 0.00 -3.47 -2.12 0.00 0.00 175.29 170.06 2a55 n ASP 110 N 2.70 0.00 -0.20 5.90 2.03 -1.26 -2.30 116.55 123.42 2a55 n ASP 110 Ca -0.15 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.16 2a55 n ASP 110 Cb 0.54 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.94 2a55 n ASP 110 CO 0.00 0.00 0.00 -2.11 -1.92 0.00 0.00 177.20 173.17 2a55 n ARG 111 N 0.00 0.00 -0.50 -0.67 1.85 -1.26 -4.96 116.66 111.12 2a55 n ARG 111 Ca 0.00 0.00 0.06 0.00 -1.00 0.00 0.00 57.85 56.91 2a55 n ARG 111 Cb 0.00 0.00 0.10 0.00 -1.05 0.00 0.00 32.46 31.51 2a55 n ARG 111 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 2a55 n GLY 112 N 0.00 3.29 1.43 2.89 0.00 -0.97 -5.11 105.19 106.71 2a55 n GLY 112 Ca 0.00 -0.85 0.00 0.00 0.00 0.00 0.00 46.02 45.17 2a55 n GLY 112 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87 2a55 n VAL 113 N -0.73 -3.24 -4.67 1.61 3.14 -1.24 -4.86 118.33 108.34 2a55 n VAL 113 Ca 0.11 1.49 -0.30 0.00 -2.96 0.00 0.00 64.34 62.68 2a55 n VAL 113 Cb 0.74 -2.06 -0.13 0.00 -1.06 0.00 0.00 33.84 31.32 2a55 n VAL 113 CO 0.00 0.00 0.00 -0.83 -6.46 0.00 0.00 176.83 169.54 2a55 s GLY 114 N -3.40 1.52 -0.34 7.55 0.00 0.28 -4.51 107.32 108.41 2a55 s GLY 114 Ca 0.00 -1.30 -0.17 0.00 0.00 0.00 0.00 44.72 43.25 2a55 s GLY 114 CO 0.00 -1.22 0.45 0.86 0.00 0.00 0.00 173.10 173.19 2a55 s TRP 115 N -0.93 3.20 0.26 1.90 -0.00 -1.26 -1.46 118.94 120.64 2a55 s TRP 115 Ca 0.14 0.13 -0.02 0.00 -0.00 0.00 0.00 56.10 56.35 2a55 s TRP 115 Cb -0.10 -2.80 0.49 0.00 -0.00 0.00 0.00 33.47 31.06 2a55 s TRP 115 CO 0.05 -0.47 1.77 0.77 -0.00 0.00 0.00 176.95 179.07 2a55 h SER 116 N 8.43 0.55 -2.36 5.86 0.02 -1.89 -3.45 113.55 120.71 2a55 h SER 116 Ca -0.29 0.08 0.16 0.00 -0.84 0.00 0.00 61.79 60.91 2a55 h SER 116 Cb 1.13 -0.01 -0.32 0.00 0.14 0.00 0.00 62.40 63.35 2a55 h SER 116 CO 0.73 0.26 0.77 -2.28 -1.14 0.00 0.00 176.83 175.17 2a55 s HIS 117 N -5.99 -0.16 0.00 3.45 5.65 -1.26 -5.03 115.29 111.95 2a55 s HIS 117 Ca -0.12 0.37 0.00 0.00 0.25 0.00 0.00 55.06 55.56 2a55 s HIS 117 Cb 0.21 0.42 0.00 0.00 -1.18 0.00 0.00 32.58 32.03 2a55 s HIS 117 CO 0.78 -0.08 0.00 -0.35 -0.65 0.00 0.00 174.74 174.44 2a55 n PRO 118 N 1.90 3.47 -1.54 2.88 -0.04 -1.26 -4.79 135.00 135.62 2a55 n PRO 118 Ca -0.12 0.00 -0.51 0.00 -0.04 0.00 0.00 63.50 62.83 2a55 n PRO 118 Cb 0.57 0.00 -0.05 0.00 -0.04 0.00 0.00 33.50 33.98 2a55 n PRO 118 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 2a55 n LEU 119 N 0.00 0.83 0.00 1.53 7.99 -1.26 -4.98 117.00 121.10 2a55 n LEU 119 Ca 0.00 1.14 0.00 0.00 -0.01 0.00 0.00 56.01 57.14 2a55 n LEU 119 Cb 0.00 -1.11 0.00 0.00 -0.11 0.00 0.00 43.42 42.20 2a55 n LEU 119 CO 0.00 -1.64 0.00 -2.65 -1.51 0.00 0.00 177.39 171.59 2a55 n PRO 120 N 1.67 0.41 -3.65 3.23 -0.02 -1.26 -5.06 135.00 130.33 2a55 n PRO 120 Ca 0.17 0.00 -0.24 0.00 -2.02 0.00 0.00 63.50 61.41 2a55 n PRO 120 Cb 0.20 0.00 -0.17 0.00 -0.02 0.00 0.00 33.50 33.51 2a55 n PRO 120 CO 0.00 0.00 0.00 -1.14 1.98 0.00 0.00 175.50 176.34 2a55 s GLN 121 N 0.00 0.08 -0.39 -0.52 -0.44 0.31 -4.96 119.66 113.75 2a55 s GLN 121 Ca 0.00 0.06 -0.15 0.00 -2.50 0.00 0.00 55.36 52.77 2a55 s GLN 121 Cb 0.00 -1.37 0.01 0.00 -1.64 0.00 0.00 33.01 30.01 2a55 s GLN 121 CO 0.00 -0.54 0.31 0.00 0.50 0.00 0.00 175.29 175.57 2a55 s GLU 123 N 1.78 1.07 0.46 0.00 2.56 -1.16 -4.91 118.70 118.49 2a55 s GLU 123 Ca 0.07 -0.74 -0.25 0.00 0.00 0.00 0.00 54.97 54.05 2a55 s GLU 123 Cb -0.18 -1.09 -0.08 0.00 2.00 0.00 0.00 34.13 34.78 2a55 s GLU 123 CO 0.11 0.28 1.43 1.51 -0.56 0.00 0.00 175.26 178.02 2a55 n ILE 124 N 2.07 2.88 0.00 -3.70 0.00 -1.26 -1.03 119.36 118.32 2a55 n ILE 124 Ca -0.17 -0.50 0.00 0.00 0.00 0.00 0.00 62.75 62.08 2a55 n ILE 124 Cb 0.54 -1.83 0.00 0.00 0.00 0.00 0.00 39.64 38.36 2a55 n ILE 124 CO 0.00 0.00 0.00 0.18 0.00 0.00 0.00 176.55 176.73 2a55 n LEU 125 N -0.25 0.00 0.07 9.51 4.77 0.72 -4.81 117.00 127.02 2a55 n LEU 125 Ca 0.06 0.15 0.00 0.00 -0.03 0.00 0.00 56.01 56.18 2a55 n LEU 125 Cb 0.42 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.51 2a55 n LEU 125 CO 0.59 0.00 0.00 -0.62 -1.33 0.00 0.00 177.39 176.03 2a55 n GLU 126 N -0.20 0.00 -2.94 3.23 -0.58 -1.26 -5.06 120.64 113.83 2a55 n GLU 126 Ca 0.00 0.00 -0.42 0.00 -0.42 0.00 0.00 57.16 56.32 2a55 n GLU 126 Cb 0.00 0.00 -0.05 0.00 -0.57 0.00 0.00 31.44 30.82 2a55 n GLU 126 CO 0.00 0.00 0.00 -1.58 -0.48 0.00 0.00 177.13 175.07 2a55 s HIS 127 N -2.00 3.18 0.12 -0.32 2.46 -1.26 -5.03 115.29 112.44 2a55 s HIS 127 Ca 0.00 0.76 0.01 0.00 0.47 0.00 0.00 55.06 56.31 2a55 s HIS 127 Cb 0.00 -3.27 -0.04 0.00 -0.13 0.00 0.00 32.58 29.13 2a55 s HIS 127 CO 0.00 -0.61 -0.03 -3.38 -2.47 0.00 0.00 174.74 168.25 2a55 s HIS 128 N 3.01 0.97 0.00 3.88 -3.43 -1.26 -5.06 115.29 113.40 2a55 s HIS 128 Ca 0.32 -0.99 0.00 0.00 -0.80 0.00 0.00 55.06 53.59 2a55 s HIS 128 Cb -0.14 -0.56 0.00 0.00 -1.43 0.00 0.00 32.58 30.45 2a55 s HIS 128 CO 0.14 -0.22 0.00 1.58 -2.00 0.00 0.00 174.74 174.24 2a55 n HIS 129 N -0.11 -0.57 -1.55 0.38 -0.00 -1.26 -5.12 115.22 106.99 2a55 n HIS 129 Ca -0.10 0.00 -0.39 0.00 0.46 0.00 0.00 57.72 57.69 2a55 n HIS 129 Cb 0.62 0.25 0.03 0.00 -0.12 0.00 0.00 29.99 30.78 2a55 n HIS 129 CO 0.00 0.00 0.00 -2.39 0.46 0.00 0.00 176.34 174.41 2a55 n HIS 130 N -2.01 0.30 -3.72 1.57 1.44 -1.26 -5.01 115.22 106.53 2a55 n HIS 130 Ca 0.00 0.48 -0.17 0.00 -2.01 0.00 0.00 57.72 56.02 2a55 n HIS 130 Cb 0.00 -2.09 0.00 0.00 0.12 0.00 0.00 29.99 28.02 2a55 n HIS 130 CO 0.00 0.00 0.00 -2.39 -2.81 0.00 0.00 176.34 171.14 2a55 n HIS 131 N -1.33 -0.96 -1.30 -1.40 1.44 -1.26 -5.29 115.22 105.12 2a55 n HIS 131 Ca 0.12 -1.57 0.00 0.00 -2.01 0.00 0.00 57.72 54.26 2a55 n HIS 131 Cb 0.45 -0.31 0.00 0.00 0.12 0.00 0.00 29.99 30.25 2a55 n HIS 131 CO 0.00 0.00 0.00 1.58 -2.81 0.00 0.00 176.34 175.11