#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 6.47 0.41 7.83 -0.87 -1.26 -2.59 114.94 124.93 2a55 s ASN 1 Ca 0.00 0.81 0.08 0.00 -1.57 0.00 0.00 52.86 52.18 2a55 s ASN 1 Cb 0.00 -2.18 0.00 0.00 -0.02 0.00 0.00 41.25 39.05 2a55 s ASN 1 CO 0.00 -0.22 0.52 0.00 -2.57 0.00 0.00 177.10 174.83 2a55 s GLY 3 N -4.28 2.47 0.21 0.00 0.00 -1.20 -4.25 107.32 100.26 2a55 s GLY 3 Ca 0.52 0.66 -0.29 0.00 0.00 0.00 0.00 44.72 45.62 2a55 s GLY 3 CO 0.32 1.00 0.69 -1.05 0.00 0.00 0.00 173.10 174.06 2a55 n PRO 4 N -1.39 0.38 -1.63 2.90 -0.02 -1.24 -4.81 135.00 129.19 2a55 n PRO 4 Ca 0.10 0.13 -0.47 0.00 -2.02 0.00 0.00 63.50 61.25 2a55 n PRO 4 Cb 0.52 -1.27 -0.04 0.00 -0.02 0.00 0.00 33.50 32.70 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 0.98 1.66 -1.29 0.52 -0.02 -1.26 -5.00 135.00 130.59 2a55 n PRO 5 Ca 0.16 0.59 -0.16 0.00 -2.02 0.00 0.00 63.50 62.07 2a55 n PRO 5 Cb 0.26 -2.20 0.11 0.00 -0.02 0.00 0.00 33.50 31.65 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 2.11 -0.52 -3.59 0.52 -0.05 -1.26 -5.07 135.00 127.14 2a55 n PRO 6 Ca 0.14 -1.31 -0.36 0.00 -0.05 0.00 0.00 63.50 61.91 2a55 n PRO 6 Cb 0.28 -0.70 -0.07 0.00 -0.05 0.00 0.00 33.50 32.96 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 -2.45 5.32 0.04 0.52 2.01 -1.26 -5.09 115.64 114.74 2a55 s THR 7 Ca 0.43 0.47 0.00 0.00 0.31 0.00 0.00 61.69 62.90 2a55 s THR 7 Cb -0.01 -3.59 -0.00 0.00 0.01 0.00 0.00 72.50 68.90 2a55 s THR 7 CO 0.30 0.42 0.00 0.18 -0.69 0.00 0.00 174.62 174.83 2a55 n LEU 8 N 3.38 0.00 0.01 4.42 4.32 -1.26 -5.09 117.00 122.77 2a55 n LEU 8 Ca -0.13 -0.29 0.00 0.00 -0.02 0.00 0.00 56.01 55.57 2a55 n LEU 8 Cb 0.52 0.05 0.00 0.00 -1.62 0.00 0.00 43.42 42.37 2a55 n LEU 8 CO 0.39 -0.04 -0.18 -1.20 -1.22 0.00 0.00 177.39 175.13 2a55 n SER 9 N -1.24 0.02 0.29 -1.43 7.64 -1.26 -4.78 113.62 112.86 2a55 n SER 9 Ca -0.02 0.02 0.17 0.00 1.01 0.00 0.00 58.87 60.06 2a55 n SER 9 Cb 0.06 0.01 0.94 0.00 -1.01 0.00 0.00 64.21 64.20 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 -3.05 1.43 -0.00 -1.86 -3.41 116.94 110.05 2a55 h PHE 10 Ca 0.00 0.00 -0.07 0.00 -0.00 0.00 0.00 57.97 57.90 2a55 h PHE 10 Cb 0.36 0.00 -0.16 0.00 -0.00 0.00 0.00 35.95 36.15 2a55 h PHE 10 CO 0.00 0.00 -0.10 0.00 -0.00 0.00 0.00 178.31 178.21 2a55 s ALA 11 N -3.96 -1.02 0.05 12.09 0.00 -1.26 -2.72 121.76 124.94 2a55 s ALA 11 Ca -0.04 0.29 0.06 0.00 0.00 0.00 0.00 51.96 52.27 2a55 s ALA 11 Cb 0.10 0.38 -0.03 0.00 0.00 0.00 0.00 23.12 23.58 2a55 s ALA 11 CO 0.31 -0.48 -0.17 0.00 0.00 0.00 0.00 175.76 175.43 2a55 s ALA 12 N -2.60 1.40 0.46 0.00 0.00 -1.15 -4.49 121.76 115.38 2a55 s ALA 12 Ca -0.04 -0.96 -0.22 0.00 0.00 0.00 0.00 51.96 50.74 2a55 s ALA 12 Cb -0.01 -0.22 -0.11 0.00 0.00 0.00 0.00 23.12 22.79 2a55 s ALA 12 CO -0.03 0.27 0.70 -2.30 0.00 0.00 0.00 175.76 174.41 2a55 n PRO 13 N 1.71 0.80 0.00 0.00 -0.02 -1.26 -0.40 135.00 135.83 2a55 n PRO 13 Ca -0.18 0.29 0.00 0.00 -2.02 0.00 0.00 63.50 61.59 2a55 n PRO 13 Cb 0.54 -1.74 0.00 0.00 -0.02 0.00 0.00 33.50 32.28 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 0.23 0.27 -2.83 -0.52 1.56 -1.26 -4.62 117.12 109.95 2a55 n MET 14 Ca 0.11 0.00 -0.07 0.00 -0.27 0.00 0.00 57.70 57.47 2a55 n MET 14 Cb 0.41 -0.02 0.00 0.00 2.15 0.00 0.00 33.22 35.76 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 -3.04 -3.00 6.12 -0.08 -1.26 -4.90 116.55 110.39 2a55 n ASP 15 Ca 0.00 -2.91 0.04 0.00 -1.51 0.00 0.00 54.79 50.41 2a55 n ASP 15 Cb 0.00 1.49 0.00 0.00 2.34 0.00 0.00 41.12 44.95 2a55 n ASP 15 CO 0.00 0.00 0.00 -0.51 0.12 0.00 0.00 177.20 176.81 2a55 s ILE 16 N 0.73 -0.21 -0.19 5.18 2.07 -1.26 -4.11 121.20 123.42 2a55 s ILE 16 Ca 0.31 0.00 -0.35 0.00 -1.41 0.00 0.00 60.65 59.20 2a55 s ILE 16 Cb 0.03 -0.13 -0.12 0.00 0.13 0.00 0.00 42.46 42.38 2a55 s ILE 16 CO -0.09 0.00 1.95 0.35 -1.91 0.00 0.00 174.94 175.24 2a55 n THR 17 N 4.55 0.44 0.16 4.00 -2.24 -1.26 -4.77 114.28 115.15 2a55 n THR 17 Ca 0.08 -0.16 0.00 0.00 -2.27 0.00 0.00 64.05 61.70 2a55 n THR 17 Cb 0.60 -1.77 0.00 0.00 -2.10 0.00 0.00 70.33 67.06 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 7.52 3.42 0.02 3.22 7.99 -1.26 -3.66 117.00 134.25 2a55 n LEU 18 Ca 0.28 -1.59 -0.05 0.00 -0.01 0.00 0.00 56.01 54.64 2a55 n LEU 18 Cb 0.26 -0.67 -0.11 0.00 -0.11 0.00 0.00 43.42 42.79 2a55 n LEU 18 CO 0.75 0.62 -0.31 0.71 -1.51 0.00 0.00 177.39 177.64 2a55 h THR 19 N 0.73 0.80 -2.75 -5.08 1.35 -2.02 -3.46 112.91 102.49 2a55 h THR 19 Ca 0.00 -2.49 -0.65 0.00 -0.55 0.00 0.00 66.41 62.72 2a55 h THR 19 Cb 0.80 2.32 -0.06 0.00 -1.73 0.00 0.00 68.15 69.48 2a55 h THR 19 CO 0.00 0.46 -0.44 -1.61 -0.25 0.00 0.00 175.52 173.68 2a55 s GLU 20 N -2.75 3.51 0.01 4.72 0.41 -1.24 -4.99 118.70 118.36 2a55 s GLU 20 Ca -0.03 -0.11 0.22 0.00 -0.41 0.00 0.00 54.97 54.64 2a55 s GLU 20 Cb 0.08 -3.15 -0.10 0.00 -1.78 0.00 0.00 34.13 29.18 2a55 s GLU 20 CO 0.81 0.73 0.91 2.41 -0.49 0.00 0.00 175.26 179.63 2a55 n THR 21 N 1.59 0.05 -4.40 3.63 -1.04 -1.26 -4.95 114.28 107.90 2a55 n THR 21 Ca -0.16 -0.15 -0.23 0.00 -2.04 0.00 0.00 64.05 61.46 2a55 n THR 21 Cb 0.54 0.53 -0.11 0.00 -1.82 0.00 0.00 70.33 69.48 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 -3.14 1.48 -0.24 -2.82 0.52 -1.26 -3.63 118.95 109.86 2a55 s ARG 22 Ca 0.04 -1.59 -0.03 0.00 -0.52 0.00 0.00 55.73 53.63 2a55 s ARG 22 Cb 0.15 -1.57 0.13 0.00 0.52 0.00 0.00 34.95 34.18 2a55 s ARG 22 CO 0.84 0.31 0.35 -0.06 0.02 0.00 0.00 175.30 176.76 2a55 s PHE 23 N -2.27 -0.74 1.01 -0.53 0.40 -1.26 -5.00 117.98 109.58 2a55 s PHE 23 Ca 0.23 0.73 -0.17 0.00 -0.60 0.00 0.00 56.93 57.13 2a55 s PHE 23 Cb -0.05 -0.04 -0.02 0.00 0.51 0.00 0.00 43.02 43.42 2a55 s PHE 23 CO 0.10 -0.70 -0.17 0.36 0.70 0.00 0.00 175.22 175.51 2a55 n LYS 24 N 5.36 -0.49 0.00 0.44 2.85 -1.26 -3.12 118.16 121.93 2a55 n LYS 24 Ca -0.04 -0.12 0.06 0.00 -1.05 0.00 0.00 58.31 57.16 2a55 n LYS 24 Cb 0.50 -1.53 0.32 0.00 -0.65 0.00 0.00 35.03 33.66 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 -3.52 0.38 0.29 0.58 -2.24 -1.07 -1.54 114.28 107.16 2a55 n THR 25 Ca 0.02 0.09 0.10 0.00 -2.27 0.00 0.00 64.05 62.00 2a55 n THR 25 Cb 0.58 -0.91 -0.14 0.00 -2.10 0.00 0.00 70.33 67.76 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 -0.30 -0.91 3.58 3.38 0.00 -1.26 -4.23 105.19 105.46 2a55 n GLY 26 Ca 0.07 -0.51 -0.30 0.00 0.00 0.00 0.00 46.02 45.29 2a55 n GLY 26 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 2a55 s THR 27 N -3.24 2.08 -0.28 2.61 -1.32 -0.59 -4.96 115.64 109.95 2a55 s THR 27 Ca -0.03 0.02 -0.11 0.00 -1.21 0.00 0.00 61.69 60.37 2a55 s THR 27 Cb 0.14 -2.08 0.11 0.00 -1.51 0.00 0.00 72.50 69.16 2a55 s THR 27 CO 0.83 -0.03 0.63 -0.89 -2.21 0.00 0.00 174.62 172.95 2a55 s THR 28 N -2.56 -0.74 0.71 5.08 2.01 -1.26 -4.05 115.64 114.84 2a55 s THR 28 Ca 0.67 0.02 -0.08 0.00 0.31 0.00 0.00 61.69 62.62 2a55 s THR 28 Cb -0.24 -0.95 0.06 0.00 0.01 0.00 0.00 72.50 71.38 2a55 s THR 28 CO 0.61 0.01 1.04 -0.76 -0.69 0.00 0.00 174.62 174.83 2a55 s LEU 29 N 2.58 2.80 0.00 4.42 1.02 -0.21 -4.93 118.68 124.36 2a55 s LEU 29 Ca -0.06 0.59 0.00 0.00 0.02 0.00 0.00 54.13 54.67 2a55 s LEU 29 Cb -0.11 -3.23 0.00 0.00 0.02 0.00 0.00 46.19 42.87 2a55 s LEU 29 CO -0.18 -1.59 0.00 1.17 0.02 0.00 0.00 176.35 175.77 2a55 n LYS 30 N -2.97 0.00 -1.35 1.70 3.00 -1.26 -3.99 118.16 113.30 2a55 n LYS 30 Ca 0.08 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.39 2a55 n LYS 30 Cb 0.60 -0.25 0.00 0.00 0.00 0.00 0.00 35.03 35.38 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 -2.10 -3.66 -3.75 5.64 4.02 -1.26 -4.39 117.16 111.66 2a55 n TYR 31 Ca 0.00 1.94 -0.38 0.00 -0.01 0.00 0.00 57.90 59.45 2a55 n TYR 31 Cb 0.00 -3.12 -0.12 0.00 -0.02 0.00 0.00 39.34 36.09 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 -2.80 3.67 -0.40 -0.72 -1.32 0.47 -4.85 115.64 109.69 2a55 s THR 32 Ca 0.00 -1.38 -0.31 0.00 -1.21 0.00 0.00 61.69 58.79 2a55 s THR 32 Cb 0.00 -3.19 -0.10 0.00 -1.51 0.00 0.00 72.50 67.71 2a55 s THR 32 CO 0.00 -0.32 2.29 0.00 -2.21 0.00 0.00 174.62 174.38 2a55 n LEU 34 N 11.77 0.46 -4.67 0.00 7.99 -1.10 -4.66 117.00 126.79 2a55 n LEU 34 Ca 0.39 0.61 -0.57 0.00 -0.01 0.00 0.00 56.01 56.43 2a55 n LEU 34 Cb 0.34 -0.46 -0.07 0.00 -0.11 0.00 0.00 43.42 43.12 2a55 n LEU 34 CO 0.74 -0.58 1.15 -2.65 -1.51 0.00 0.00 177.39 174.54 2a55 n PRO 35 N 1.74 0.96 0.00 3.23 -0.02 -1.26 -1.38 135.00 138.27 2a55 n PRO 35 Ca 0.15 0.35 0.00 0.00 -2.02 0.00 0.00 63.50 61.98 2a55 n PRO 35 Cb -0.01 -1.99 0.00 0.00 -0.02 0.00 0.00 33.50 31.48 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 3.58 2.80 0.00 -1.23 0.00 -1.26 -5.04 105.19 104.04 2a55 n GLY 36 Ca 0.24 -0.44 0.00 0.00 0.00 0.00 0.00 46.02 45.83 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 -2.95 1.61 4.11 -0.48 -4.78 117.16 114.67 2a55 n TYR 37 Ca 0.00 0.00 -0.18 0.00 -0.00 0.00 0.00 57.90 57.72 2a55 n TYR 37 Cb 0.00 0.00 0.02 0.00 -0.00 0.00 0.00 39.34 39.36 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 2.91 0.14 -3.48 1.01 -1.18 -4.74 120.40 115.06 2a55 s VAL 38 Ca 0.00 -0.95 -0.12 0.00 0.00 0.00 0.00 61.98 60.91 2a55 s VAL 38 Cb 0.00 -2.96 -0.07 0.00 0.00 0.00 0.00 36.38 33.35 2a55 s VAL 38 CO 0.00 0.00 0.51 -0.13 0.00 0.00 0.00 175.10 175.48 2a55 s ARG 39 N -4.43 3.89 0.06 2.72 3.00 -1.26 0.96 118.95 123.88 2a55 s ARG 39 Ca 0.56 0.36 0.00 0.00 0.00 0.00 0.00 55.73 56.65 2a55 s ARG 39 Cb -0.10 -2.90 0.00 0.00 0.00 0.00 0.00 34.95 31.95 2a55 s ARG 39 CO 0.34 0.47 0.00 0.45 0.00 0.00 0.00 175.30 176.57 2a55 n SER 40 N 0.67 -0.52 0.00 0.23 2.88 -1.26 -4.76 113.62 110.86 2a55 n SER 40 Ca -0.05 0.11 0.00 0.00 -1.33 0.00 0.00 58.87 57.60 2a55 n SER 40 Cb 0.52 0.92 0.00 0.00 -0.75 0.00 0.00 64.21 64.90 2a55 n SER 40 CO 0.00 0.00 0.00 1.41 -1.23 0.00 0.00 175.04 175.22 2a55 n HIS 41 N -2.61 0.00 -3.35 0.66 8.25 -1.07 -4.87 115.22 112.22 2a55 n HIS 41 Ca 0.00 0.00 0.02 0.00 -0.26 0.00 0.00 57.72 57.48 2a55 n HIS 41 Cb 0.00 0.00 -0.02 0.00 1.12 0.00 0.00 29.99 31.09 2a55 n HIS 41 CO 0.00 0.00 0.00 -1.54 0.64 0.00 0.00 176.34 175.44 2a55 s SER 42 N 1.34 -1.18 0.00 0.41 1.04 -1.26 -3.91 113.70 110.14 2a55 s SER 42 Ca 0.00 1.09 0.00 0.00 0.48 0.00 0.00 55.95 57.52 2a55 s SER 42 Cb 0.00 2.13 0.00 0.00 0.10 0.00 0.00 66.02 68.25 2a55 s SER 42 CO 0.00 -0.22 0.00 0.41 0.98 0.00 0.00 173.24 174.41 2a55 n THR 43 N 5.41 0.00 -2.25 2.02 -1.04 -1.26 -4.84 114.28 112.32 2a55 n THR 43 Ca -0.06 0.00 -0.01 0.00 -2.04 0.00 0.00 64.05 61.93 2a55 n THR 43 Cb 0.51 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 69.02 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 -1.32 -0.28 -3.70 -2.82 6.02 -1.26 -5.06 117.38 108.96 2a55 n GLN 44 Ca 0.00 0.06 -0.11 0.00 -0.01 0.00 0.00 57.00 56.94 2a55 n GLN 44 Cb 0.00 -3.27 -0.10 0.00 1.02 0.00 0.00 30.24 27.89 2a55 n GLN 44 CO 0.00 0.00 0.00 0.95 -1.01 0.00 0.00 177.06 177.00 2a55 s THR 45 N -2.45 -0.01 -0.23 5.09 -4.23 -1.26 -4.64 115.64 107.91 2a55 s THR 45 Ca 0.02 0.04 -0.07 0.00 -1.18 0.00 0.00 61.69 60.50 2a55 s THR 45 Cb -0.01 -0.68 -0.03 0.00 1.34 0.00 0.00 72.50 73.13 2a55 s THR 45 CO 0.02 0.02 0.05 -0.76 -0.54 0.00 0.00 174.62 173.40 2a55 s LEU 46 N 0.87 3.43 0.03 4.79 1.02 -1.26 -4.82 118.68 122.75 2a55 s LEU 46 Ca -0.05 -0.17 0.07 0.00 0.02 0.00 0.00 54.13 54.00 2a55 s LEU 46 Cb -0.06 -1.90 -0.02 0.00 0.02 0.00 0.00 46.19 44.23 2a55 s LEU 46 CO -0.07 0.02 -0.20 -0.89 0.02 0.00 0.00 176.35 175.24 2a55 s THR 47 N 1.26 1.58 -0.25 5.49 2.01 -1.25 -1.04 115.64 123.44 2a55 s THR 47 Ca 0.04 -1.11 -0.29 0.00 0.31 0.00 0.00 61.69 60.64 2a55 s THR 47 Cb -0.15 -1.37 -0.01 0.00 0.01 0.00 0.00 72.50 70.99 2a55 s THR 47 CO 0.03 0.22 1.34 0.00 -0.69 0.00 0.00 174.62 175.52 2a55 n ASN 49 N 7.42 0.00 -3.15 0.00 0.23 -1.19 -4.19 115.26 114.37 2a55 n ASN 49 Ca 0.15 -0.98 -0.35 0.00 -0.53 0.00 0.00 54.58 52.87 2a55 n ASN 49 Cb 0.46 0.00 0.00 0.00 -2.08 0.00 0.00 39.78 38.16 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 -2.95 6.27 0.00 0.53 2.88 -1.26 -4.44 113.62 114.66 2a55 n SER 50 Ca 0.00 -3.72 0.00 0.00 -1.33 0.00 0.00 58.87 53.82 2a55 n SER 50 Cb 0.00 -0.89 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 -0.26 2.08 0.00 -3.46 9.92 -1.26 -5.04 116.55 118.53 2a55 n ASP 51 Ca 0.43 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.69 2a55 n ASP 51 Cb 0.34 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 40.82 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 2.59 -0.64 0.00 0.44 0.00 -1.26 -5.13 105.19 101.19 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 -3.45 1.61 0.00 -1.26 -3.28 120.64 114.26 2a55 n GLU 53 Ca 0.00 0.00 -0.39 0.00 0.00 0.00 0.00 57.16 56.77 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 -2.80 3.24 0.14 -1.84 0.52 -1.26 -3.18 118.94 113.76 2a55 s TRP 54 Ca 0.00 0.33 0.02 0.00 0.02 0.00 0.00 56.10 56.48 2a55 s TRP 54 Cb 0.00 -2.51 -0.04 0.00 -1.15 0.00 0.00 33.47 29.77 2a55 s TRP 54 CO 0.00 -0.20 0.26 0.08 0.02 0.00 0.00 176.95 177.11 2a55 s VAL 55 N 1.96 5.28 0.00 4.03 1.01 -1.21 -4.99 120.40 126.48 2a55 s VAL 55 Ca 0.13 -0.67 0.00 0.00 0.00 0.00 0.00 61.98 61.44 2a55 s VAL 55 Cb -0.16 -3.70 0.00 0.00 0.00 0.00 0.00 36.38 32.53 2a55 s VAL 55 CO 0.10 -0.06 0.00 0.00 0.00 0.00 0.00 175.10 175.14 2a55 n TYR 56 N -0.42 0.00 -2.19 5.22 0.18 -1.26 -3.93 117.16 114.77 2a55 n TYR 56 Ca -0.07 0.00 -0.26 0.00 1.88 0.00 0.00 57.90 59.45 2a55 n TYR 56 Cb 0.54 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 -0.80 -2.08 0.00 0.00 176.86 173.98 2a55 s ASN 57 N 0.00 4.71 -0.16 9.48 0.01 -1.26 -4.94 114.94 122.77 2a55 s ASN 57 Ca 0.00 0.44 -0.01 0.00 -0.71 0.00 0.00 52.86 52.57 2a55 s ASN 57 Cb 0.00 -1.04 0.07 0.00 0.41 0.00 0.00 41.25 40.69 2a55 s ASN 57 CO 0.00 -1.67 2.19 0.41 -1.51 0.00 0.00 177.10 176.52 2a55 n THR 58 N -2.98 2.50 -1.58 1.60 -1.04 -1.26 -4.88 114.28 106.64 2a55 n THR 58 Ca 0.09 -1.23 -0.56 0.00 -2.04 0.00 0.00 64.05 60.31 2a55 n THR 58 Cb 0.60 -1.48 -0.07 0.00 -1.82 0.00 0.00 70.33 67.57 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 1.06 1.32 -1.38 -1.42 -1.74 -1.26 -2.61 117.46 111.43 2a55 n PHE 59 Ca 0.19 0.78 0.12 0.00 -0.56 0.00 0.00 57.45 57.98 2a55 n PHE 59 Cb 0.57 -2.27 -0.07 0.00 1.52 0.00 0.00 39.48 39.24 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 -3.73 0.00 -1.70 0.00 3.06 0.27 -4.65 119.36 112.61 2a55 n ILE 61 Ca -0.07 -0.45 -0.62 0.00 -2.50 0.00 0.00 62.75 59.11 2a55 n ILE 61 Cb 0.59 0.83 -0.09 0.00 0.54 0.00 0.00 39.64 41.52 2a55 n ILE 61 CO 0.00 0.00 0.00 0.00 -2.50 0.00 0.00 176.55 174.05 2a55 n TYR 62 N 2.14 1.88 -3.38 9.51 4.19 -1.26 -3.10 117.16 127.14 2a55 n TYR 62 Ca 0.08 0.80 0.01 0.00 3.31 0.00 0.00 57.90 62.10 2a55 n TYR 62 Cb 0.67 -2.36 -0.03 0.00 0.49 0.00 0.00 39.34 38.11 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 3.51 0.55 0.00 2.98 -2.85 -1.26 -4.86 119.74 117.81 2a55 s LYS 63 Ca 1.03 1.16 0.00 0.00 -1.00 0.00 0.00 55.97 57.16 2a55 s LYS 63 Cb -1.27 0.62 0.00 0.00 -2.06 0.00 0.00 37.83 35.13 2a55 s LYS 63 CO 0.72 -0.44 0.00 2.89 0.10 0.00 0.00 175.35 178.62 2a55 n ARG 64 N 5.43 1.93 -4.44 1.78 0.00 -1.26 -4.19 116.66 115.92 2a55 n ARG 64 Ca -0.06 0.00 -0.21 0.00 -0.00 0.00 0.00 57.85 57.58 2a55 n ARG 64 Cb 0.50 0.00 -0.10 0.00 -0.00 0.00 0.00 32.46 32.86 2a55 n ARG 64 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 2a55 s ARG 66 N -3.89 4.54 0.21 0.00 6.06 -1.26 -4.87 118.95 119.74 2a55 s ARG 66 Ca 0.35 1.41 -0.31 0.00 -2.50 0.00 0.00 55.73 54.69 2a55 s ARG 66 Cb 0.08 -2.83 -0.10 0.00 0.06 0.00 0.00 34.95 32.16 2a55 s ARG 66 CO 0.15 0.23 1.50 -1.58 -2.50 0.00 0.00 175.30 173.09 2a55 s HIS 67 N -1.55 3.03 0.34 5.12 5.65 -1.26 -4.89 115.29 121.73 2a55 s HIS 67 Ca 0.50 0.86 0.38 0.00 0.25 0.00 0.00 55.06 57.05 2a55 s HIS 67 Cb -0.21 -3.87 1.79 0.00 -1.18 0.00 0.00 32.58 29.11 2a55 s HIS 67 CO 0.26 -3.00 2.14 -1.35 -0.65 0.00 0.00 174.74 172.15 2a55 h PRO 68 N 5.75 0.00 0.00 2.88 0.11 -1.97 -3.49 132.00 135.29 2a55 h PRO 68 Ca -0.45 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.66 2a55 h PRO 68 Cb 1.21 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.32 2a55 h PRO 68 CO 0.83 0.01 0.00 0.41 -0.21 0.00 0.00 178.00 179.04 2a55 n GLY 69 N -0.44 1.19 3.33 -0.55 0.00 -1.26 -4.66 105.19 102.81 2a55 n GLY 69 Ca -0.01 -1.74 -0.46 0.00 0.00 0.00 0.00 46.02 43.81 2a55 n GLY 69 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 2a55 n GLU 70 N 1.21 0.00 -3.30 1.61 2.13 -1.26 -4.79 120.64 116.23 2a55 n GLU 70 Ca 0.00 0.00 -0.45 0.00 0.66 0.00 0.00 57.16 57.37 2a55 n GLU 70 Cb 0.00 -0.99 -0.06 0.00 0.27 0.00 0.00 31.44 30.66 2a55 n GLU 70 CO 0.00 0.00 0.00 -1.17 -0.41 0.00 0.00 177.13 175.55 2a55 s LEU 71 N 3.31 5.70 0.09 4.31 0.20 -1.26 -4.97 118.68 126.06 2a55 s LEU 71 Ca 0.62 -1.44 -0.31 0.00 0.69 0.00 0.00 54.13 53.69 2a55 s LEU 71 Cb -0.84 -2.24 -0.09 0.00 -0.43 0.00 0.00 46.19 42.59 2a55 s LEU 71 CO 0.57 -0.80 1.69 -0.60 -0.29 0.00 0.00 176.35 176.93 2a55 s ARG 72 N 1.86 4.18 -1.06 1.98 3.52 -1.26 -0.83 118.95 127.35 2a55 s ARG 72 Ca 0.06 2.40 -0.01 0.00 -0.13 0.00 0.00 55.73 58.05 2a55 s ARG 72 Cb -0.25 -3.55 0.00 0.00 -1.56 0.00 0.00 34.95 29.58 2a55 s ARG 72 CO 0.06 -0.75 0.89 0.09 -0.81 0.00 0.00 175.30 174.78 2a55 n ASN 73 N 5.47 -2.48 -3.88 -2.12 3.02 -1.26 -4.73 115.26 109.28 2a55 n ASN 73 Ca 0.16 -0.53 0.03 0.00 -0.03 0.00 0.00 54.58 54.22 2a55 n ASN 73 Cb 0.40 -4.50 0.01 0.00 -0.61 0.00 0.00 39.78 35.07 2a55 n ASN 73 CO 0.00 0.00 0.00 -0.83 -2.62 0.00 0.00 177.26 173.81 2a55 s GLY 74 N -4.07 -0.20 -0.45 7.41 0.00 -0.01 -1.76 107.32 108.24 2a55 s GLY 74 Ca 0.06 0.17 0.05 0.00 0.00 0.00 0.00 44.72 45.01 2a55 s GLY 74 CO 0.63 5.52 0.50 -1.06 0.00 0.00 0.00 173.10 178.69 2a55 n GLN 75 N -0.89 0.32 -1.70 2.90 6.02 -0.60 -4.45 117.38 118.98 2a55 n GLN 75 Ca 0.03 -2.72 -0.58 0.00 -0.01 0.00 0.00 57.00 53.72 2a55 n GLN 75 Cb 0.59 -1.59 -0.07 0.00 1.02 0.00 0.00 30.24 30.19 2a55 n GLN 75 CO 0.00 0.00 0.00 1.55 -1.01 0.00 0.00 177.06 177.60 2a55 n VAL 76 N 2.87 0.23 -2.03 5.09 3.14 -1.26 -3.99 118.33 122.39 2a55 n VAL 76 Ca 0.25 -0.04 -0.33 0.00 -2.96 0.00 0.00 64.34 61.26 2a55 n VAL 76 Cb 0.51 -1.07 -0.04 0.00 -1.06 0.00 0.00 33.84 32.18 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 3.11 2.57 -0.10 1.45 2.12 0.25 -4.95 118.70 123.15 2a55 s GLU 77 Ca 0.98 0.23 -0.01 0.00 0.36 0.00 0.00 54.97 56.53 2a55 s GLU 77 Cb -1.12 -4.69 -0.03 0.00 0.26 0.00 0.00 34.13 28.55 2a55 s GLU 77 CO 0.66 -3.05 -0.05 0.42 -0.54 0.00 0.00 175.26 172.69 2a55 s ILE 78 N 9.67 3.83 0.03 -3.70 -1.09 -1.26 -3.80 121.20 124.88 2a55 s ILE 78 Ca 0.69 -0.41 0.00 0.00 -2.23 0.00 0.00 60.65 58.70 2a55 s ILE 78 Cb -0.10 -2.61 0.00 0.00 -1.58 0.00 0.00 42.46 38.17 2a55 s ILE 78 CO 0.11 0.56 0.00 2.29 -1.23 0.00 0.00 174.94 176.67 2a55 n LYS 79 N 2.72 0.00 0.00 2.79 0.00 -1.26 -4.91 118.16 117.50 2a55 n LYS 79 Ca -0.18 0.00 0.04 0.00 -0.00 0.00 0.00 58.31 58.17 2a55 n LYS 79 Cb 0.53 0.00 0.23 0.00 -0.00 0.00 0.00 35.03 35.79 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 -2.53 0.00 -0.98 0.58 -2.24 -1.26 -4.79 114.28 103.06 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 -0.43 0.00 0.00 -2.10 0.00 0.00 70.33 67.80 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 -0.71 -5.71 -2.62 3.42 9.92 -1.26 -1.84 116.55 117.75 2a55 n ASP 81 Ca 0.06 0.00 -0.11 0.00 -0.53 0.00 0.00 54.79 54.21 2a55 n ASP 81 Cb 0.03 -3.38 0.06 0.00 -0.64 0.00 0.00 41.12 37.19 2a55 n ASP 81 CO 0.00 0.00 0.00 0.18 0.13 0.00 0.00 177.20 177.51 2a55 n LEU 82 N 0.00 -3.62 -0.83 0.64 7.99 -1.26 -4.42 117.00 115.50 2a55 n LEU 82 Ca 0.00 -0.42 -0.00 0.00 -0.01 0.00 0.00 56.01 55.57 2a55 n LEU 82 Cb 0.47 -2.25 0.04 0.00 -0.11 0.00 0.00 43.42 41.57 2a55 n LEU 82 CO 0.00 0.20 0.42 -1.20 -1.51 0.00 0.00 177.39 175.30 2a55 n SER 83 N -2.46 2.08 -1.57 -1.43 7.64 -0.76 -2.02 113.62 115.09 2a55 n SER 83 Ca -0.15 -2.14 0.00 0.00 1.01 0.00 0.00 58.87 57.58 2a55 n SER 83 Cb 0.60 -0.53 0.00 0.00 -1.01 0.00 0.00 64.21 63.27 2a55 n SER 83 CO 0.00 0.00 0.00 0.33 -3.01 0.00 0.00 175.04 172.36 2a55 n PHE 84 N 0.15 -4.26 -1.41 1.43 -0.00 -1.26 -4.43 117.46 107.67 2a55 n PHE 84 Ca 0.05 2.26 0.00 0.00 -0.00 0.00 0.00 57.45 59.76 2a55 n PHE 84 Cb 0.46 -3.44 0.00 0.00 -0.00 0.00 0.00 39.48 36.50 2a55 n PHE 84 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17 2a55 n GLY 85 N -0.57 0.55 0.00 7.13 0.00 -1.20 -4.81 105.19 106.29 2a55 n GLY 85 Ca 0.00 -0.37 0.00 0.00 0.00 0.00 0.00 46.02 45.65 2a55 n GLY 85 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2a55 n SER 86 N -0.82 0.43 0.00 1.61 3.41 -1.26 -5.04 113.62 111.94 2a55 n SER 86 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.61 2a55 n SER 86 Cb 0.37 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.32 2a55 n SER 86 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2a55 n GLN 87 N 0.00 0.00 -3.87 4.33 -0.00 -1.25 -4.27 117.38 112.32 2a55 n GLN 87 Ca 0.00 0.00 -0.30 0.00 -0.00 0.00 0.00 57.00 56.70 2a55 n GLN 87 Cb 0.00 0.00 -0.15 0.00 -0.00 0.00 0.00 30.24 30.09 2a55 n GLN 87 CO 0.00 0.00 0.00 0.96 0.00 0.00 0.00 177.06 178.02 2a55 s ILE 88 N -2.00 1.73 1.21 -0.39 -4.36 -0.41 -4.87 121.20 112.11 2a55 s ILE 88 Ca 0.00 -2.19 -0.18 0.00 -0.26 0.00 0.00 60.65 58.02 2a55 s ILE 88 Cb 0.00 -2.26 0.24 0.00 1.25 0.00 0.00 42.46 41.69 2a55 s ILE 88 CO 0.00 -0.69 0.55 1.21 0.24 0.00 0.00 174.94 176.24 2a55 n GLU 89 N 4.20 -2.89 -3.71 0.37 2.13 -1.25 -3.94 120.64 115.55 2a55 n GLU 89 Ca 0.03 -0.84 -0.16 0.00 0.66 0.00 0.00 57.16 56.85 2a55 n GLU 89 Cb 0.40 -1.82 -0.06 0.00 0.27 0.00 0.00 31.44 30.23 2a55 n GLU 89 CO 0.00 0.00 0.00 1.19 -0.41 0.00 0.00 177.13 177.91 2a55 n PHE 90 N -4.97 -0.33 -3.27 4.31 3.72 -1.15 0.87 117.46 116.64 2a55 n PHE 90 Ca 0.05 -2.04 0.03 0.00 -0.05 0.00 0.00 57.45 55.44 2a55 n PHE 90 Cb 0.54 0.13 -0.02 0.00 -0.94 0.00 0.00 39.48 39.19 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 -2.79 -1.10 -0.24 4.37 1.04 -1.26 -4.78 113.70 108.94 2a55 s SER 91 Ca 0.24 0.91 -0.24 0.00 0.48 0.00 0.00 55.95 57.34 2a55 s SER 91 Cb 0.01 2.01 -0.01 0.00 0.10 0.00 0.00 66.02 68.13 2a55 s SER 91 CO 0.17 -0.21 0.80 0.00 0.98 0.00 0.00 173.24 174.98 2a55 n SER 93 N 5.96 -2.68 -4.41 0.00 7.64 -0.72 -4.64 113.62 114.76 2a55 n SER 93 Ca 0.05 -0.06 -0.38 0.00 1.01 0.00 0.00 58.87 59.49 2a55 n SER 93 Cb 0.48 -0.81 0.04 0.00 -1.01 0.00 0.00 64.21 62.90 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 -0.44 0.36 0.00 1.43 2.13 -1.26 -1.60 120.64 121.27 2a55 n GLU 94 Ca -0.00 0.15 0.00 0.00 0.66 0.00 0.00 57.16 57.97 2a55 n GLU 94 Cb 0.66 -1.56 0.00 0.00 0.27 0.00 0.00 31.44 30.82 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 1.96 1.26 3.50 8.31 0.00 -1.26 -4.90 105.19 114.05 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 3.07 0.43 1.61 0.08 -0.62 -0.04 117.98 122.51 2a55 s PHE 96 Ca 0.00 -0.30 0.02 0.00 0.12 0.00 0.00 56.93 56.76 2a55 s PHE 96 Cb 0.00 -2.04 -0.00 0.00 -0.57 0.00 0.00 43.02 40.41 2a55 s PHE 96 CO 0.00 -0.10 0.64 -0.59 -0.10 0.00 0.00 175.22 175.07 2a55 s PHE 97 N 0.67 3.18 0.14 0.36 -0.71 -0.26 -3.88 117.98 117.48 2a55 s PHE 97 Ca -0.00 0.13 -0.22 0.00 -1.04 0.00 0.00 56.93 55.80 2a55 s PHE 97 Cb -0.14 -2.27 -0.07 0.00 -1.21 0.00 0.00 43.02 39.32 2a55 s PHE 97 CO 0.02 -0.32 0.68 -1.17 -1.34 0.00 0.00 175.22 173.09 2a55 s LEU 98 N -4.49 4.52 -0.33 -1.99 0.20 -1.26 -3.09 118.68 112.24 2a55 s LEU 98 Ca 0.48 1.44 0.06 0.00 0.69 0.00 0.00 54.13 56.79 2a55 s LEU 98 Cb -0.10 -3.19 0.18 0.00 -0.43 0.00 0.00 46.19 42.66 2a55 s LEU 98 CO 0.37 0.20 0.55 -0.63 -0.29 0.00 0.00 176.35 176.55 2a55 s ILE 99 N -1.21 -0.88 0.00 6.68 1.01 -0.85 -4.97 121.20 120.98 2a55 s ILE 99 Ca 0.34 -0.13 0.00 0.00 0.00 0.00 0.00 60.65 60.86 2a55 s ILE 99 Cb -0.20 -0.70 0.00 0.00 0.01 0.00 0.00 42.46 41.57 2a55 s ILE 99 CO 0.22 -0.10 0.00 0.61 0.00 0.00 0.00 174.94 175.67 2a55 n GLY 100 N 5.05 0.00 2.27 6.18 0.00 -1.26 -0.22 105.19 117.21 2a55 n GLY 100 Ca 0.06 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.06 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 -5.54 0.00 1.61 7.64 -1.26 -4.50 113.62 111.57 2a55 n SER 101 Ca 0.00 1.44 0.03 0.00 1.01 0.00 0.00 58.87 61.35 2a55 n SER 101 Cb 0.00 -4.66 0.13 0.00 -1.01 0.00 0.00 64.21 58.67 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 1.54 1.51 -4.35 0.44 -2.24 -1.26 -4.60 114.28 105.32 2a55 n THR 102 Ca -0.14 0.38 -0.26 0.00 -2.27 0.00 0.00 64.05 61.76 2a55 n THR 102 Cb 0.22 -1.28 -0.10 0.00 -2.10 0.00 0.00 70.33 67.07 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 -2.95 2.90 -0.21 4.28 -4.23 -1.26 -2.91 115.64 111.27 2a55 s THR 103 Ca 0.03 -1.90 -0.04 0.00 -1.18 0.00 0.00 61.69 58.60 2a55 s THR 103 Cb 0.04 -2.46 0.10 0.00 1.34 0.00 0.00 72.50 71.53 2a55 s THR 103 CO 0.10 -0.19 0.30 -0.55 -0.54 0.00 0.00 174.62 173.74 2a55 s SER 104 N -3.00 0.69 0.01 3.99 0.15 -1.25 -4.92 113.70 109.37 2a55 s SER 104 Ca 0.25 0.14 -0.09 0.00 0.70 0.00 0.00 55.95 56.95 2a55 s SER 104 Cb -0.08 0.77 -0.05 0.00 -1.71 0.00 0.00 66.02 64.95 2a55 s SER 104 CO 0.14 -0.30 0.31 -0.13 1.20 0.00 0.00 173.24 174.47 2a55 s ARG 105 N 2.44 3.67 -0.36 5.44 0.52 -1.26 -1.29 118.95 128.11 2a55 s ARG 105 Ca 0.08 0.08 -0.18 0.00 -0.52 0.00 0.00 55.73 55.19 2a55 s ARG 105 Cb -0.15 -3.10 -0.00 0.00 0.52 0.00 0.00 34.95 32.22 2a55 s ARG 105 CO -0.13 0.65 0.49 0.00 0.02 0.00 0.00 175.30 176.33 2a55 n GLU 107 N 5.71 0.72 -4.35 0.00 4.07 -0.12 -3.25 120.64 123.42 2a55 n GLU 107 Ca -0.05 -3.68 -0.23 0.00 -0.06 0.00 0.00 57.16 53.13 2a55 n GLU 107 Cb 0.49 0.80 -0.17 0.00 -0.06 0.00 0.00 31.44 32.51 2a55 n GLU 107 CO 0.00 0.00 0.00 0.08 -0.06 0.00 0.00 177.13 177.15 2a55 s VAL 108 N -2.83 0.92 -0.05 6.31 1.01 -1.26 0.15 120.40 124.65 2a55 s VAL 108 Ca 0.10 -0.33 0.05 0.00 0.00 0.00 0.00 61.98 61.80 2a55 s VAL 108 Cb -0.01 -0.88 -0.01 0.00 0.00 0.00 0.00 36.38 35.48 2a55 s VAL 108 CO 0.06 0.31 -0.21 -1.10 0.00 0.00 0.00 175.10 174.16 2a55 s GLN 109 N 0.90 2.17 0.77 2.72 -0.21 -1.26 -4.60 119.66 120.15 2a55 s GLN 109 Ca -0.11 -0.77 0.00 0.00 0.02 0.00 0.00 55.36 54.51 2a55 s GLN 109 Cb -0.15 -1.87 0.00 0.00 1.00 0.00 0.00 33.01 32.00 2a55 s GLN 109 CO 0.01 0.32 0.00 -0.25 -2.12 0.00 0.00 175.29 173.25 2a55 n ASP 110 N 3.02 0.00 -0.34 5.90 9.92 -1.26 -2.13 116.55 131.66 2a55 n ASP 110 Ca -0.18 0.00 -0.01 0.00 -0.53 0.00 0.00 54.79 54.08 2a55 n ASP 110 Cb 0.52 0.00 -0.01 0.00 -0.64 0.00 0.00 41.12 41.00 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 -0.99 -1.24 1.85 -1.26 -4.98 116.66 110.04 2a55 n ARG 111 Ca 0.00 -0.09 0.04 0.00 -1.00 0.00 0.00 57.85 56.80 2a55 n ARG 111 Cb 0.00 0.10 0.07 0.00 -1.05 0.00 0.00 32.46 31.57 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 2.11 1.73 2.89 0.00 -0.91 -5.11 105.19 105.90 2a55 n GLY 112 Ca -0.03 -0.80 0.00 0.00 0.00 0.00 0.00 46.02 45.19 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 -0.10 -5.12 -5.08 1.61 0.31 -1.25 -4.85 118.33 103.85 2a55 n VAL 113 Ca 0.08 2.36 -0.31 0.00 -0.01 0.00 0.00 64.34 66.46 2a55 n VAL 113 Cb 0.92 -3.18 -0.15 0.00 -0.91 0.00 0.00 33.84 30.52 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 -3.02 1.36 0.01 2.92 0.00 0.39 -4.39 107.32 104.59 2a55 s GLY 114 Ca 0.00 -1.18 -0.07 0.00 0.00 0.00 0.00 44.72 43.47 2a55 s GLY 114 CO 0.00 -1.02 0.29 -0.98 0.00 0.00 0.00 173.10 171.39 2a55 s TRP 115 N -0.72 3.58 -0.04 1.90 0.23 -1.26 -0.95 118.94 121.69 2a55 s TRP 115 Ca 0.11 0.61 -0.18 0.00 -2.03 0.00 0.00 56.10 54.61 2a55 s TRP 115 Cb -0.10 -2.02 -0.31 0.00 0.03 0.00 0.00 33.47 31.07 2a55 s TRP 115 CO 0.01 0.61 0.82 0.77 0.96 0.00 0.00 176.95 180.12 2a55 h SER 116 N 4.00 0.54 -2.63 2.95 0.02 -1.94 -3.48 113.55 113.01 2a55 h SER 116 Ca -0.50 -0.92 0.13 0.00 -0.84 0.00 0.00 61.79 59.66 2a55 h SER 116 Cb 1.20 -0.18 -0.30 0.00 0.14 0.00 0.00 62.40 63.26 2a55 h SER 116 CO 0.66 1.54 0.66 -2.28 -1.14 0.00 0.00 176.83 176.27 2a55 s HIS 117 N -2.49 -0.27 0.00 3.45 5.65 -1.26 -5.06 115.29 115.31 2a55 s HIS 117 Ca -0.14 0.65 0.00 0.00 0.25 0.00 0.00 55.06 55.82 2a55 s HIS 117 Cb 0.03 0.40 0.00 0.00 -1.18 0.00 0.00 32.58 31.83 2a55 s HIS 117 CO 0.84 -0.13 0.00 -2.30 -0.65 0.00 0.00 174.74 172.50 2a55 n PRO 118 N 2.05 2.60 -1.72 2.88 -0.02 -1.26 -4.87 135.00 134.66 2a55 n PRO 118 Ca -0.12 0.00 -0.37 0.00 -2.02 0.00 0.00 63.50 60.99 2a55 n PRO 118 Cb 0.56 0.00 0.07 0.00 -0.02 0.00 0.00 33.50 34.11 2a55 n PRO 118 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 2a55 n LEU 119 N 0.00 5.78 0.00 2.45 7.99 -1.26 -5.03 117.00 126.93 2a55 n LEU 119 Ca 0.00 0.84 0.00 0.00 -0.01 0.00 0.00 56.01 56.84 2a55 n LEU 119 Cb 0.00 -1.54 0.00 0.00 -0.11 0.00 0.00 43.42 41.77 2a55 n LEU 119 CO 0.00 -1.05 0.00 -2.65 -1.51 0.00 0.00 177.39 172.18 2a55 n PRO 120 N -1.75 0.56 -3.91 3.23 -0.02 -1.26 -5.01 135.00 126.84 2a55 n PRO 120 Ca 0.15 0.00 -0.35 0.00 -2.02 0.00 0.00 63.50 61.28 2a55 n PRO 120 Cb 0.48 0.00 -0.13 0.00 -0.02 0.00 0.00 33.50 33.83 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 -1.39 3.57 -0.40 -0.52 2.00 0.70 -4.93 119.66 118.68 2a55 s GLN 121 Ca 0.00 -0.53 -0.12 0.00 -2.00 0.00 0.00 55.36 52.71 2a55 s GLN 121 Cb 0.00 -3.15 0.04 0.00 0.80 0.00 0.00 33.01 30.70 2a55 s GLN 121 CO 0.00 -0.12 0.25 0.00 -0.50 0.00 0.00 175.29 174.92 2a55 s GLU 123 N 1.56 1.37 0.54 0.00 2.12 -1.18 -4.91 118.70 118.20 2a55 s GLU 123 Ca 0.03 -0.89 -0.21 0.00 0.36 0.00 0.00 54.97 54.26 2a55 s GLU 123 Cb -0.20 -1.45 -0.05 0.00 0.26 0.00 0.00 34.13 32.68 2a55 s GLU 123 CO 0.07 0.37 1.20 -1.50 -0.54 0.00 0.00 175.26 174.86 2a55 s ILE 124 N -0.76 2.81 -1.18 -3.70 1.10 -1.26 -1.10 121.20 117.11 2a55 s ILE 124 Ca 0.07 0.55 -0.20 0.00 -0.51 0.00 0.00 60.65 60.55 2a55 s ILE 124 Cb -0.09 -3.25 0.05 0.00 0.15 0.00 0.00 42.46 39.33 2a55 s ILE 124 CO 0.01 -0.07 1.66 -0.76 -2.11 0.00 0.00 174.94 173.67 2a55 s LEU 125 N -3.63 3.65 -0.21 8.50 1.43 0.94 -4.54 118.68 124.83 2a55 s LEU 125 Ca 0.72 -2.00 -0.02 0.00 -1.03 0.00 0.00 54.13 51.79 2a55 s LEU 125 Cb -0.30 -2.58 0.01 0.00 0.03 0.00 0.00 46.19 43.35 2a55 s LEU 125 CO 0.34 -1.45 0.05 1.21 0.23 0.00 0.00 176.35 176.73 2a55 n GLU 126 N 8.58 -3.02 -3.64 1.70 4.07 -1.26 -5.06 120.64 122.00 2a55 n GLU 126 Ca 0.43 2.48 -0.04 0.00 -0.06 0.00 0.00 57.16 59.96 2a55 n GLU 126 Cb 0.48 -4.30 -0.07 0.00 -0.06 0.00 0.00 31.44 27.49 2a55 n GLU 126 CO 0.00 0.00 0.00 -1.58 -0.06 0.00 0.00 177.13 175.49 2a55 s HIS 127 N -1.26 -0.25 0.00 4.31 2.46 -1.26 -5.05 115.29 114.24 2a55 s HIS 127 Ca -0.05 0.58 0.00 0.00 0.47 0.00 0.00 55.06 56.06 2a55 s HIS 127 Cb 0.00 0.39 0.00 0.00 -0.13 0.00 0.00 32.58 32.84 2a55 s HIS 127 CO 0.60 -0.12 0.00 0.72 -2.47 0.00 0.00 174.74 173.47 2a55 n HIS 128 N 2.14 0.00 -1.55 3.88 8.25 -1.26 -4.95 115.22 121.74 2a55 n HIS 128 Ca -0.12 0.00 -0.41 0.00 -0.26 0.00 0.00 57.72 56.92 2a55 n HIS 128 Cb 0.57 0.00 -0.04 0.00 1.12 0.00 0.00 29.99 31.64 2a55 n HIS 128 CO 0.00 0.00 0.00 1.58 0.64 0.00 0.00 176.34 178.56 2a55 n HIS 129 N 0.00 1.59 -3.59 4.41 -0.00 -1.26 -4.88 115.22 111.50 2a55 n HIS 129 Ca 0.00 0.07 -0.02 0.00 -0.00 0.00 0.00 57.72 57.77 2a55 n HIS 129 Cb 0.16 -2.64 -0.06 0.00 -0.00 0.00 0.00 29.99 27.45 2a55 n HIS 129 CO 0.00 0.00 0.00 -1.58 -0.00 0.00 0.00 176.34 174.76 2a55 s HIS 130 N 9.93 -0.84 0.02 1.57 5.04 -1.26 -5.06 115.29 124.70 2a55 s HIS 130 Ca 1.03 1.57 0.00 0.00 -1.54 0.00 0.00 55.06 56.12 2a55 s HIS 130 Cb -0.40 0.50 0.00 0.00 0.04 0.00 0.00 32.58 32.72 2a55 s HIS 130 CO 0.34 -0.41 0.00 1.58 -2.34 0.00 0.00 174.74 173.91 2a55 n HIS 131 N 4.43 -1.94 1.99 3.88 -0.00 -1.26 -5.33 115.22 116.98 2a55 n HIS 131 Ca -0.16 0.07 0.16 0.00 0.46 0.00 0.00 57.72 58.25 2a55 n HIS 131 Cb 0.55 0.63 0.94 0.00 -0.12 0.00 0.00 29.99 32.00 2a55 n HIS 131 CO 0.00 0.00 0.00 0.72 0.46 0.00 0.00 176.34 177.52