#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2b3j h ASP 4 N 0.00 0.00 0.40 0.53 5.19 -2.05 -1.62 116.42 118.88 2b3j h ASP 4 Ca 0.00 0.00 -0.15 0.00 -0.62 0.00 0.00 57.03 56.26 2b3j h ASP 4 Cb 0.00 0.00 -0.01 0.00 0.18 0.00 0.00 39.33 39.50 2b3j h ASP 4 CO 0.00 0.19 -0.62 0.40 -3.12 0.00 0.00 179.24 176.09 2b3j h ILE 5 N 0.00 1.40 0.19 0.35 2.04 -2.00 -2.45 117.51 117.04 2b3j h ILE 5 Ca -0.00 -2.03 -0.01 0.00 1.00 0.00 0.00 64.86 63.82 2b3j h ILE 5 Cb 0.37 2.04 0.00 0.00 -0.74 0.00 0.00 36.82 38.50 2b3j h ILE 5 CO 0.02 0.60 -0.09 0.22 0.00 0.00 0.00 178.15 178.90 2b3j h TYR 6 N 0.15 -0.23 -0.98 1.37 3.20 -1.76 -2.58 116.97 116.14 2b3j h TYR 6 Ca -0.01 -0.01 0.05 0.00 3.14 0.00 0.00 58.73 61.91 2b3j h TYR 6 Cb 1.13 0.08 -0.06 0.00 1.54 0.00 0.00 36.73 39.41 2b3j h TYR 6 CO 0.02 0.15 0.63 0.74 -1.64 0.00 0.00 178.16 178.07 2b3j h PHE 7 N -0.70 1.18 0.00 -3.82 0.04 -1.44 0.18 116.94 112.38 2b3j h PHE 7 Ca -0.03 0.03 -0.03 0.00 2.80 0.00 0.00 57.97 60.75 2b3j h PHE 7 Cb 0.49 -0.39 -0.00 0.00 2.20 0.00 0.00 35.95 38.25 2b3j h PHE 7 CO 0.05 0.64 -0.13 1.98 -0.60 0.00 0.00 178.31 180.25 2b3j h MET 8 N 1.18 0.00 -0.54 1.51 4.05 -1.46 -1.35 114.93 118.33 2b3j h MET 8 Ca 0.41 0.00 -0.03 0.00 -0.28 0.00 0.00 59.70 59.80 2b3j h MET 8 Cb 0.10 0.00 -0.02 0.00 -0.80 0.00 0.00 31.60 30.88 2b3j h MET 8 CO -0.15 0.13 0.21 1.15 0.23 0.00 0.00 176.91 178.48 2b3j h THR 9 N 0.00 1.22 -0.21 -0.77 2.02 -0.22 -0.40 112.91 114.55 2b3j h THR 9 Ca -0.00 -0.68 -0.07 0.00 0.77 0.00 0.00 66.41 66.43 2b3j h THR 9 Cb 0.27 0.67 -0.01 0.00 -1.74 0.00 0.00 68.15 67.33 2b3j h THR 9 CO 0.02 0.26 -0.17 -0.07 0.37 0.00 0.00 175.52 175.93 2b3j h LEU 10 N 0.73 0.34 -0.57 2.58 3.38 -0.90 -1.61 115.31 119.25 2b3j h LEU 10 Ca 0.18 -0.09 -0.04 0.00 0.09 0.00 0.00 57.88 58.02 2b3j h LEU 10 Cb 0.20 -0.09 -0.02 0.00 0.09 0.00 0.00 40.66 40.84 2b3j h LEU 10 CO -0.01 0.53 0.19 0.00 0.09 0.00 0.00 178.44 179.23 2b3j h ALA 11 N 1.51 0.75 0.00 1.53 0.00 -0.52 -1.06 119.26 121.46 2b3j h ALA 11 Ca 0.06 -0.19 -0.06 0.00 0.00 0.00 0.00 54.91 54.72 2b3j h ALA 11 Cb 0.49 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.05 2b3j h ALA 11 CO 0.03 0.41 -0.28 -0.84 0.00 0.00 0.00 179.25 178.56 2b3j h ILE 12 N 0.80 1.10 -0.62 0.00 -2.65 -0.63 -0.16 117.51 115.36 2b3j h ILE 12 Ca 0.19 -1.01 -0.10 0.00 1.03 0.00 0.00 64.86 64.97 2b3j h ILE 12 Cb 0.27 1.56 -0.02 0.00 -2.05 0.00 0.00 36.82 36.57 2b3j h ILE 12 CO -0.01 0.28 0.01 -0.08 0.03 0.00 0.00 178.15 178.38 2b3j h GLU 13 N 0.00 1.09 -0.41 0.16 4.57 -0.32 -1.60 114.58 118.07 2b3j h GLU 13 Ca -0.00 -0.34 -0.14 0.00 -1.18 0.00 0.00 59.36 57.69 2b3j h GLU 13 Cb 0.54 -0.10 -0.01 0.00 -0.16 0.00 0.00 28.75 29.02 2b3j h GLU 13 CO 0.04 1.05 -0.29 0.93 -1.18 0.00 0.00 179.01 179.56 2b3j h GLU 14 N 0.99 0.93 -0.53 1.92 4.39 -0.38 -2.65 114.58 119.24 2b3j h GLU 14 Ca 0.18 -0.44 0.03 0.00 0.34 0.00 0.00 59.36 59.46 2b3j h GLU 14 Cb 0.56 -0.01 -0.03 0.00 -0.10 0.00 0.00 28.75 29.17 2b3j h GLU 14 CO 0.03 1.10 0.35 0.00 -1.16 0.00 0.00 179.01 179.33 2b3j h ALA 15 N 0.80 1.73 0.00 3.43 0.00 -0.74 -0.02 119.26 124.47 2b3j h ALA 15 Ca 0.08 -0.03 -0.11 0.00 0.00 0.00 0.00 54.91 54.86 2b3j h ALA 15 Cb 0.87 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.48 2b3j h ALA 15 CO 0.08 0.21 -0.52 0.87 0.00 0.00 0.00 179.25 179.89 2b3j h LYS 16 N 0.61 0.00 -0.36 0.00 1.57 -1.08 -1.65 116.57 115.66 2b3j h LYS 16 Ca 0.21 0.00 -0.12 0.00 -1.87 0.00 0.00 60.65 58.87 2b3j h LYS 16 Cb 0.09 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.38 2b3j h LYS 16 CO -0.05 0.52 -0.27 0.87 -0.57 0.00 0.00 179.45 179.95 2b3j h LYS 17 N 0.00 0.75 -0.40 3.15 1.57 -0.68 -1.65 116.57 119.31 2b3j h LYS 17 Ca -0.01 -0.32 -0.13 0.00 -1.87 0.00 0.00 60.65 58.33 2b3j h LYS 17 Cb 1.06 -0.02 -0.01 0.00 0.08 0.00 0.00 32.23 33.33 2b3j h LYS 17 CO 0.07 0.93 -0.27 0.00 -0.57 0.00 0.00 179.45 179.61 2b3j h ALA 18 N 1.06 0.78 -0.09 3.86 0.00 -1.04 -3.05 119.26 120.78 2b3j h ALA 18 Ca 0.08 -0.40 -0.00 0.00 0.00 0.00 0.00 54.91 54.59 2b3j h ALA 18 Cb 0.78 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 18.42 2b3j h ALA 18 CO 0.06 0.65 0.05 0.00 0.00 0.00 0.00 179.25 180.01 2b3j h ALA 19 N 0.98 0.11 0.00 0.00 0.00 -1.03 0.61 119.26 119.92 2b3j h ALA 19 Ca 0.09 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.95 2b3j h ALA 19 Cb 0.81 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.57 2b3j h ALA 19 CO 0.07 -0.35 0.00 0.00 0.00 0.00 0.00 179.25 178.97 2b3j n GLN 20 N -4.98 0.27 0.00 0.00 10.64 -0.64 -0.53 117.38 122.14 2b3j n GLN 20 Ca -0.06 0.03 0.05 0.00 -1.83 0.00 0.00 57.00 55.20 2b3j n GLN 20 Cb 0.07 -1.50 0.01 0.00 -0.86 0.00 0.00 30.24 27.96 2b3j n GLN 20 CO 0.00 0.00 0.00 -0.11 -1.83 0.00 0.00 177.06 175.12 2b3j n LEU 21 N -1.04 1.36 0.00 2.61 7.94 -0.57 -4.98 117.00 122.32 2b3j n LEU 21 Ca 0.07 -0.81 0.00 0.00 -1.11 0.00 0.00 56.01 54.16 2b3j n LEU 21 Cb 0.04 0.00 0.00 0.00 0.53 0.00 0.00 43.42 43.99 2b3j n LEU 21 CO 0.06 0.27 0.00 0.61 -1.11 0.00 0.00 177.39 177.21 2b3j n GLY 22 N 0.86 0.50 3.86 -3.96 0.00 0.31 -4.93 105.19 101.83 2b3j n GLY 22 Ca 0.05 -0.74 -0.31 0.00 0.00 0.00 0.00 46.02 45.01 2b3j n GLY 22 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2b3j s GLU 23 N -1.39 3.22 -0.16 1.61 0.41 0.10 -5.01 118.70 117.49 2b3j s GLU 23 Ca 0.00 -0.53 -0.37 0.00 -0.41 0.00 0.00 54.97 53.66 2b3j s GLU 23 Cb 0.00 -2.92 -0.14 0.00 -1.78 0.00 0.00 34.13 29.29 2b3j s GLU 23 CO 0.00 0.60 1.76 0.28 -0.49 0.00 0.00 175.26 177.41 2b3j n VAL 24 N 0.41 0.38 -1.54 2.63 0.31 -1.26 -3.77 118.33 115.48 2b3j n VAL 24 Ca -0.07 -0.07 -0.14 0.00 -0.01 0.00 0.00 64.34 64.06 2b3j n VAL 24 Cb 0.51 -1.46 -0.09 0.00 -0.91 0.00 0.00 33.84 31.89 2b3j n VAL 24 CO 0.00 0.00 0.00 -2.65 -1.32 0.00 0.00 176.83 172.86 2b3j n PRO 25 N 5.57 0.40 -3.73 5.55 -0.02 -1.26 -4.68 135.00 136.83 2b3j n PRO 25 Ca 0.24 -0.91 -0.13 0.00 -2.02 0.00 0.00 63.50 60.68 2b3j n PRO 25 Cb 0.20 -3.40 -0.14 0.00 -0.02 0.00 0.00 33.50 30.15 2b3j n PRO 25 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 2b3j s ILE 26 N 13.48 -0.09 0.14 4.25 1.01 -1.26 -4.66 121.20 134.08 2b3j s ILE 26 Ca 0.92 0.18 0.05 0.00 0.00 0.00 0.00 60.65 61.80 2b3j s ILE 26 Cb -0.19 -0.34 -0.04 0.00 0.01 0.00 0.00 42.46 41.91 2b3j s ILE 26 CO 0.15 0.07 -0.10 -0.83 0.00 0.00 0.00 174.94 174.23 2b3j s GLY 27 N 1.39 1.06 0.03 6.18 0.00 -1.26 -1.90 107.32 112.82 2b3j s GLY 27 Ca -0.08 -1.46 -0.01 0.00 0.00 0.00 0.00 44.72 43.17 2b3j s GLY 27 CO -0.08 -1.56 -0.01 0.00 0.00 0.00 0.00 173.10 171.45 2b3j s ALA 28 N -3.19 0.18 -0.01 3.20 0.00 -0.15 -1.53 121.76 120.26 2b3j s ALA 28 Ca 0.16 -0.72 0.00 0.00 0.00 0.00 0.00 51.96 51.40 2b3j s ALA 28 Cb 0.02 0.19 0.01 0.00 0.00 0.00 0.00 23.12 23.33 2b3j s ALA 28 CO 0.01 -0.23 0.00 0.42 0.00 0.00 0.00 175.76 175.96 2b3j s ILE 29 N -2.18 0.05 -0.10 0.00 -1.09 0.94 -1.59 121.20 117.22 2b3j s ILE 29 Ca -0.09 0.04 0.04 0.00 -2.23 0.00 0.00 60.65 58.41 2b3j s ILE 29 Cb -0.05 -0.09 -0.00 0.00 -1.58 0.00 0.00 42.46 40.74 2b3j s ILE 29 CO -0.03 0.05 -0.22 -0.63 -1.23 0.00 0.00 174.94 172.87 2b3j s ILE 30 N 0.36 2.21 0.29 2.92 1.01 0.66 -0.05 121.20 128.60 2b3j s ILE 30 Ca -0.03 -0.97 0.10 0.00 0.00 0.00 0.00 60.65 59.75 2b3j s ILE 30 Cb -0.05 -1.85 -0.05 0.00 0.01 0.00 0.00 42.46 40.52 2b3j s ILE 30 CO -0.01 0.56 -0.16 0.42 0.00 0.00 0.00 174.94 175.75 2b3j s THR 31 N 0.26 2.27 -0.25 2.92 -4.23 -0.16 -1.29 115.64 115.15 2b3j s THR 31 Ca -0.15 -2.31 -0.12 0.00 -1.18 0.00 0.00 61.69 57.93 2b3j s THR 31 Cb -0.17 -2.37 0.09 0.00 1.34 0.00 0.00 72.50 71.39 2b3j s THR 31 CO 0.08 -0.37 0.58 -0.75 -0.54 0.00 0.00 174.62 173.63 2b3j s LYS 32 N -3.57 0.55 -1.20 3.99 2.20 0.36 -1.26 119.74 120.81 2b3j s LYS 32 Ca 0.30 1.18 -0.01 0.00 -0.36 0.00 0.00 55.97 57.08 2b3j s LYS 32 Cb -0.02 0.35 -0.01 0.00 -1.51 0.00 0.00 37.83 36.64 2b3j s LYS 32 CO 0.14 -0.18 0.93 -0.25 -0.36 0.00 0.00 175.35 175.63 2b3j n ASP 33 N 4.79 -2.53 -2.02 1.43 10.43 -1.26 -1.43 116.55 125.97 2b3j n ASP 33 Ca -0.17 -0.67 -0.10 0.00 2.57 0.00 0.00 54.79 56.42 2b3j n ASP 33 Cb 0.54 -4.92 -0.02 0.00 1.84 0.00 0.00 41.12 38.56 2b3j n ASP 33 CO 0.00 0.00 0.00 -0.67 -1.07 0.00 0.00 177.20 175.46 2b3j n ASP 34 N -3.12 -3.09 -3.98 -2.24 -0.08 -1.26 -4.91 116.55 97.87 2b3j n ASP 34 Ca -0.26 0.25 -0.24 0.00 -1.51 0.00 0.00 54.79 53.03 2b3j n ASP 34 Cb 0.66 -2.77 -0.17 0.00 2.34 0.00 0.00 41.12 41.18 2b3j n ASP 34 CO 0.00 0.00 0.00 -1.61 0.12 0.00 0.00 177.20 175.71 2b3j s GLU 35 N -4.21 1.48 -0.03 -0.67 0.41 -0.51 -5.11 118.70 110.06 2b3j s GLU 35 Ca 0.00 -0.32 -0.30 0.00 -0.41 0.00 0.00 54.97 53.94 2b3j s GLU 35 Cb 0.00 -1.31 -0.06 0.00 -1.78 0.00 0.00 34.13 30.98 2b3j s GLU 35 CO 0.00 -0.04 1.58 0.08 -0.49 0.00 0.00 175.26 176.39 2b3j s VAL 36 N 0.89 3.55 -0.86 2.63 1.01 -1.26 -0.49 120.40 125.86 2b3j s VAL 36 Ca -0.11 0.79 0.08 0.00 0.00 0.00 0.00 61.98 62.75 2b3j s VAL 36 Cb -0.15 -3.51 0.02 0.00 0.00 0.00 0.00 36.38 32.74 2b3j s VAL 36 CO 0.01 -0.04 0.64 2.30 0.00 0.00 0.00 175.10 178.00 2b3j n ILE 37 N 5.17 0.00 -3.64 2.22 -5.35 -0.41 -4.94 119.36 112.41 2b3j n ILE 37 Ca 0.16 -0.45 -0.06 0.00 -0.27 0.00 0.00 62.75 62.13 2b3j n ILE 37 Cb 0.43 1.12 -0.07 0.00 -1.74 0.00 0.00 39.64 39.38 2b3j n ILE 37 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 2b3j s ALA 38 N -1.02 -2.10 0.03 -1.28 0.00 -1.10 -4.67 121.76 111.63 2b3j s ALA 38 Ca 0.08 1.77 -0.01 0.00 0.00 0.00 0.00 51.96 53.79 2b3j s ALA 38 Cb 0.07 -1.57 -0.02 0.00 0.00 0.00 0.00 23.12 21.59 2b3j s ALA 38 CO 0.17 -0.17 -0.01 -0.98 0.00 0.00 0.00 175.76 174.77 2b3j s ARG 39 N 0.01 0.46 0.13 0.00 1.70 -1.26 -0.24 118.95 119.75 2b3j s ARG 39 Ca 0.05 -0.83 -0.26 0.00 -0.47 0.00 0.00 55.73 54.23 2b3j s ARG 39 Cb -0.05 0.16 0.07 0.00 -0.57 0.00 0.00 34.95 34.57 2b3j s ARG 39 CO -0.10 -0.09 0.99 0.00 -1.08 0.00 0.00 175.30 175.02 2b3j s ALA 40 N -2.45 -1.71 0.09 7.88 0.00 -0.62 -4.75 121.76 120.19 2b3j s ALA 40 Ca -0.07 0.20 -0.14 0.00 0.00 0.00 0.00 51.96 51.95 2b3j s ALA 40 Cb -0.03 0.61 0.02 0.00 0.00 0.00 0.00 23.12 23.73 2b3j s ALA 40 CO -0.04 -1.04 0.34 -3.38 0.00 0.00 0.00 175.76 171.64 2b3j s HIS 41 N -3.20 -0.12 0.12 0.00 -3.43 -1.26 -0.98 115.29 106.42 2b3j s HIS 41 Ca 0.12 -0.14 -0.34 0.00 -0.80 0.00 0.00 55.06 53.90 2b3j s HIS 41 Cb -0.01 0.15 -0.17 0.00 -1.43 0.00 0.00 32.58 31.12 2b3j s HIS 41 CO 0.01 -0.61 0.99 -1.71 -2.00 0.00 0.00 174.74 171.43 2b3j n ASN 42 N 0.10 0.33 -0.39 7.38 5.15 -0.80 -4.50 115.26 122.52 2b3j n ASN 42 Ca -0.17 1.14 0.00 0.00 -0.60 0.00 0.00 54.58 54.96 2b3j n ASN 42 Cb 0.62 -1.06 0.00 0.00 -0.53 0.00 0.00 39.78 38.81 2b3j n ASN 42 CO 0.00 0.00 0.00 0.18 1.40 0.00 0.00 177.26 178.84 2b3j n LEU 43 N 1.86 0.00 -0.19 1.20 4.77 -0.56 -4.75 117.00 119.33 2b3j n LEU 43 Ca 0.17 -0.81 -0.03 0.00 -0.03 0.00 0.00 56.01 55.31 2b3j n LEU 43 Cb 0.19 0.00 0.07 0.00 -2.33 0.00 0.00 43.42 41.35 2b3j n LEU 43 CO 0.60 0.36 1.04 0.03 -1.33 0.00 0.00 177.39 178.09 2b3j h ARG 44 N 0.00 0.54 -0.13 3.23 3.08 -1.78 0.03 114.38 119.35 2b3j h ARG 44 Ca 0.00 -0.03 -0.12 0.00 0.07 0.00 0.00 59.98 59.90 2b3j h ARG 44 Cb 1.24 -0.12 0.00 0.00 0.08 0.00 0.00 29.97 31.17 2b3j h ARG 44 CO 0.00 0.36 -0.39 0.93 -1.07 0.00 0.00 179.97 179.79 2b3j h GLU 45 N 0.55 0.50 -0.59 0.04 4.39 -1.92 0.23 114.58 117.79 2b3j h GLU 45 Ca 0.25 -0.36 -0.02 0.00 0.34 0.00 0.00 59.36 59.57 2b3j h GLU 45 Cb 0.16 0.06 -0.03 0.00 -0.10 0.00 0.00 28.75 28.85 2b3j h GLU 45 CO -0.17 0.98 0.30 1.15 -1.16 0.00 0.00 179.01 180.11 2b3j h THR 46 N 0.11 1.20 0.00 1.13 2.02 -1.87 -3.16 112.91 112.34 2b3j h THR 46 Ca -0.01 -0.54 0.00 0.00 0.77 0.00 0.00 66.41 66.63 2b3j h THR 46 Cb 1.01 0.48 0.00 0.00 -1.74 0.00 0.00 68.15 67.91 2b3j h THR 46 CO 0.08 0.22 -1.06 0.18 0.37 0.00 0.00 175.52 175.32 2b3j n LEU 47 N -4.56 0.70 -3.66 2.58 4.77 -0.02 -4.98 117.00 111.83 2b3j n LEU 47 Ca 0.04 -0.23 -0.24 0.00 -0.03 0.00 0.00 56.01 55.55 2b3j n LEU 47 Cb 0.11 -0.06 0.06 0.00 -2.33 0.00 0.00 43.42 41.19 2b3j n LEU 47 CO 0.37 0.14 0.13 0.00 -1.33 0.00 0.00 177.39 176.70 2b3j n GLN 48 N -1.72 -6.53 -4.60 3.23 1.13 0.78 -5.00 117.38 104.67 2b3j n GLN 48 Ca 0.03 0.74 -0.32 0.00 -1.94 0.00 0.00 57.00 55.50 2b3j n GLN 48 Cb 0.39 -5.66 -0.16 0.00 0.11 0.00 0.00 30.24 24.92 2b3j n GLN 48 CO 0.00 0.00 0.00 -0.65 -1.44 0.00 0.00 177.06 174.97 2b3j s GLN 49 N -6.12 2.94 0.62 -1.09 -1.52 -1.13 -5.02 119.66 108.33 2b3j s GLN 49 Ca 0.37 -0.82 0.37 0.00 -1.95 0.00 0.00 55.36 53.33 2b3j s GLN 49 Cb -0.17 -2.39 2.06 0.00 -0.22 0.00 0.00 33.01 32.28 2b3j s GLN 49 CO 0.77 -0.04 2.28 -1.00 -0.25 0.00 0.00 175.29 177.05 2b3j h PRO 50 N 7.39 0.00 -0.02 2.91 0.13 -1.94 -2.10 132.00 138.37 2b3j h PRO 50 Ca -0.33 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.80 2b3j h PRO 50 Cb 1.18 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.31 2b3j h PRO 50 CO 0.55 0.01 -0.13 0.25 -0.23 0.00 0.00 178.00 178.46 2b3j n THR 51 N -3.42 0.00 0.09 1.56 -2.24 -1.26 -4.61 114.28 104.40 2b3j n THR 51 Ca -0.03 -0.26 0.00 0.00 -2.27 0.00 0.00 64.05 61.49 2b3j n THR 51 Cb 0.10 0.73 0.00 0.00 -2.10 0.00 0.00 70.33 69.07 2b3j n THR 51 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2b3j n ALA 52 N 0.13 2.37 -1.81 6.98 0.00 -0.79 -4.50 120.51 122.89 2b3j n ALA 52 Ca 0.15 0.00 -0.32 0.00 0.00 0.00 0.00 53.44 53.27 2b3j n ALA 52 Cb 0.41 -1.28 -0.03 0.00 0.00 0.00 0.00 19.45 18.55 2b3j n ALA 52 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.50 176.49 2b3j s HIS 53 N 0.80 3.35 0.13 0.00 3.76 -1.26 -1.50 115.29 120.57 2b3j s HIS 53 Ca 0.00 1.48 -0.29 0.00 -0.15 0.00 0.00 55.06 56.10 2b3j s HIS 53 Cb 0.00 -2.84 -0.05 0.00 1.11 0.00 0.00 32.58 30.80 2b3j s HIS 53 CO 0.00 -0.50 1.58 0.00 -0.85 0.00 0.00 174.74 174.96 2b3j h ALA 54 N 0.89 -0.60 -0.72 -1.40 0.00 -1.83 -1.42 119.26 114.18 2b3j h ALA 54 Ca -0.47 0.00 0.07 0.00 0.00 0.00 0.00 54.91 54.51 2b3j h ALA 54 Cb 1.19 0.84 -0.06 0.00 0.00 0.00 0.00 17.79 19.77 2b3j h ALA 54 CO 0.61 -0.94 0.40 0.93 0.00 0.00 0.00 179.25 180.25 2b3j h GLU 55 N -0.47 0.71 -0.01 0.00 3.07 -1.90 -0.29 114.58 115.68 2b3j h GLU 55 Ca 0.08 -0.04 0.00 0.00 -0.50 0.00 0.00 59.36 58.90 2b3j h GLU 55 Cb 0.62 -0.16 -0.00 0.00 -0.84 0.00 0.00 28.75 28.37 2b3j h GLU 55 CO -0.44 0.47 0.00 1.25 -1.40 0.00 0.00 179.01 178.88 2b3j h HIS 56 N 0.73 -0.00 -0.24 4.33 2.76 -1.70 0.13 115.15 121.16 2b3j h HIS 56 Ca 0.33 0.00 -0.01 0.00 -2.20 0.00 0.00 60.37 58.49 2b3j h HIS 56 Cb 0.22 0.00 -0.01 0.00 1.55 0.00 0.00 27.41 29.17 2b3j h HIS 56 CO -0.07 -0.00 0.12 0.82 -1.30 0.00 0.00 177.93 177.49 2b3j h ILE 57 N 0.00 1.14 -0.70 6.26 2.04 -0.98 -2.39 117.51 122.89 2b3j h ILE 57 Ca 0.01 -0.39 0.08 0.00 1.00 0.00 0.00 64.86 65.55 2b3j h ILE 57 Cb 0.01 0.96 -0.06 0.00 -0.74 0.00 0.00 36.82 36.98 2b3j h ILE 57 CO -0.01 0.14 0.37 0.00 0.00 0.00 0.00 178.15 178.65 2b3j h ALA 58 N 0.98 0.96 -0.45 1.87 0.00 -0.82 -1.82 119.26 119.99 2b3j h ALA 58 Ca 0.08 0.04 -0.01 0.00 0.00 0.00 0.00 54.91 55.02 2b3j h ALA 58 Cb 0.11 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 17.80 2b3j h ALA 58 CO -0.01 0.00 0.24 0.82 0.00 0.00 0.00 179.25 180.31 2b3j h ILE 59 N 0.65 1.16 -0.27 0.00 2.04 -0.48 -0.66 117.51 119.95 2b3j h ILE 59 Ca 0.33 -0.42 -0.06 0.00 1.00 0.00 0.00 64.86 65.71 2b3j h ILE 59 Cb 0.29 0.63 -0.02 0.00 -0.74 0.00 0.00 36.82 36.98 2b3j h ILE 59 CO -0.23 0.17 -0.10 -0.33 0.00 0.00 0.00 178.15 177.66 2b3j h GLU 60 N 0.58 0.43 -0.36 2.37 5.08 -0.92 -0.96 114.58 120.81 2b3j h GLU 60 Ca 0.16 -0.11 -0.15 0.00 -1.00 0.00 0.00 59.36 58.26 2b3j h GLU 60 Cb 0.06 -0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.25 2b3j h GLU 60 CO -0.02 0.54 -0.36 0.00 -1.00 0.00 0.00 179.01 178.16 2b3j h ARG 61 N 0.41 0.85 -0.60 2.33 3.08 -1.03 -2.06 114.38 117.35 2b3j h ARG 61 Ca 0.08 -0.43 -0.05 0.00 0.07 0.00 0.00 59.98 59.65 2b3j h ARG 61 Cb 0.43 0.01 -0.03 0.00 0.08 0.00 0.00 29.97 30.46 2b3j h ARG 61 CO 0.02 1.07 0.18 0.00 -1.07 0.00 0.00 179.97 180.17 2b3j h ALA 62 N 0.88 0.79 -0.59 0.04 0.00 -0.67 -1.32 119.26 118.40 2b3j h ALA 62 Ca 0.06 -0.21 -0.03 0.00 0.00 0.00 0.00 54.91 54.74 2b3j h ALA 62 Cb 0.93 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 18.46 2b3j h ALA 62 CO 0.09 0.48 0.26 0.00 0.00 0.00 0.00 179.25 180.07 2b3j h ALA 63 N 1.05 1.36 -0.27 0.00 0.00 -1.05 -0.52 119.26 119.83 2b3j h ALA 63 Ca 0.19 -0.14 -0.04 0.00 0.00 0.00 0.00 54.91 54.93 2b3j h ALA 63 Cb 0.31 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.85 2b3j h ALA 63 CO -0.00 0.49 0.01 -0.22 0.00 0.00 0.00 179.25 179.53 2b3j h LYS 64 N 0.83 0.47 -0.34 0.00 3.64 -0.86 0.17 116.57 120.48 2b3j h LYS 64 Ca 0.20 -0.15 -0.00 0.00 -1.27 0.00 0.00 60.65 59.43 2b3j h LYS 64 Cb 0.12 -0.04 -0.02 0.00 -0.41 0.00 0.00 32.23 31.88 2b3j h LYS 64 CO -0.02 0.63 0.21 0.28 -2.27 0.00 0.00 179.45 178.28 2b3j h VAL 65 N 0.26 1.11 0.00 2.00 2.07 -0.77 -2.74 116.25 118.18 2b3j h VAL 65 Ca 0.08 -0.24 0.00 0.00 0.82 0.00 0.00 66.70 67.36 2b3j h VAL 65 Cb 0.41 0.66 0.00 0.00 -1.52 0.00 0.00 31.29 30.84 2b3j h VAL 65 CO 0.01 0.11 -0.09 0.18 0.02 0.00 0.00 177.57 177.80 2b3j n LEU 66 N -4.82 0.32 -1.42 2.57 4.77 -0.25 -4.91 117.00 113.26 2b3j n LEU 66 Ca -0.01 0.45 -0.16 0.00 -0.03 0.00 0.00 56.01 56.26 2b3j n LEU 66 Cb 0.04 -0.40 -0.05 0.00 -2.33 0.00 0.00 43.42 40.68 2b3j n LEU 66 CO 0.35 -0.04 -0.17 0.61 -1.33 0.00 0.00 177.39 176.81 2b3j n GLY 67 N 1.44 1.05 3.10 -0.72 0.00 0.54 -4.97 105.19 105.63 2b3j n GLY 67 Ca 0.06 -0.24 -0.11 0.00 0.00 0.00 0.00 46.02 45.74 2b3j n GLY 67 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2b3j s SER 68 N -2.66 0.05 0.19 1.61 0.15 -0.88 -5.03 113.70 107.13 2b3j s SER 68 Ca 0.00 -0.26 0.26 0.00 0.70 0.00 0.00 55.95 56.65 2b3j s SER 68 Cb 0.00 0.20 0.68 0.00 -1.71 0.00 0.00 66.02 65.19 2b3j s SER 68 CO 0.00 -0.39 1.65 -2.67 1.20 0.00 0.00 173.24 173.03 2b3j n TRP 69 N 1.37 0.84 -3.12 3.44 4.27 -1.26 -4.37 117.44 118.61 2b3j n TRP 69 Ca -0.22 0.24 -0.43 0.00 -3.89 0.00 0.00 57.50 53.20 2b3j n TRP 69 Cb 0.56 -0.87 -0.07 0.00 -1.36 0.00 0.00 31.31 29.57 2b3j n TRP 69 CO 0.00 0.00 0.00 1.03 -2.29 0.00 0.00 177.69 176.43 2b3j s ARG 70 N -3.12 3.33 -0.99 -2.67 0.52 -1.26 -4.61 118.95 110.15 2b3j s ARG 70 Ca 0.09 -0.33 -0.06 0.00 -0.52 0.00 0.00 55.73 54.91 2b3j s ARG 70 Cb 0.13 -3.93 -0.02 0.00 0.52 0.00 0.00 34.95 31.64 2b3j s ARG 70 CO 0.63 -0.96 2.86 1.28 0.02 0.00 0.00 175.30 179.13 2b3j n LEU 71 N 6.20 7.43 -4.77 2.53 4.32 0.46 -4.96 117.00 128.22 2b3j n LEU 71 Ca -0.02 -4.27 -0.41 0.00 -0.02 0.00 0.00 56.01 51.30 2b3j n LEU 71 Cb 0.48 -1.40 -0.01 0.00 -1.62 0.00 0.00 43.42 40.87 2b3j n LEU 71 CO 0.53 1.94 1.12 -1.61 -1.22 0.00 0.00 177.39 178.14 2b3j s GLU 72 N 0.06 4.19 -0.01 3.23 0.41 -1.26 -2.43 118.70 122.90 2b3j s GLU 72 Ca 0.62 2.46 0.00 0.00 -0.41 0.00 0.00 54.97 57.64 2b3j s GLU 72 Cb 0.25 -3.02 0.00 0.00 -1.78 0.00 0.00 34.13 29.58 2b3j s GLU 72 CO -0.09 -0.46 0.00 0.41 -0.49 0.00 0.00 175.26 174.62 2b3j n GLY 73 N 1.13 0.30 3.92 -1.39 0.00 -1.26 -5.00 105.19 102.89 2b3j n GLY 73 Ca 0.03 -0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.75 2b3j n GLY 73 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2b3j s THR 75 N -1.67 1.50 -0.16 0.00 2.01 -0.39 -3.70 115.64 113.24 2b3j s THR 75 Ca 0.37 -0.71 -0.07 0.00 0.31 0.00 0.00 61.69 61.59 2b3j s THR 75 Cb -0.12 -1.32 -0.04 0.00 0.01 0.00 0.00 72.50 71.03 2b3j s THR 75 CO 0.27 0.43 0.06 -0.22 -0.69 0.00 0.00 174.62 174.48 2b3j s LEU 76 N 0.36 3.85 -0.13 4.42 2.96 -0.40 -0.99 118.68 128.76 2b3j s LEU 76 Ca -0.12 0.14 0.03 0.00 -0.22 0.00 0.00 54.13 53.95 2b3j s LEU 76 Cb -0.15 -1.96 0.00 0.00 0.50 0.00 0.00 46.19 44.59 2b3j s LEU 76 CO 0.05 0.23 -0.22 -0.31 -1.32 0.00 0.00 176.35 174.78 2b3j s TYR 77 N 0.02 2.65 -0.05 5.38 2.02 0.92 0.61 117.35 128.90 2b3j s TYR 77 Ca 0.06 -1.18 -0.04 0.00 -0.37 0.00 0.00 57.07 55.54 2b3j s TYR 77 Cb -0.12 -1.79 0.02 0.00 -0.40 0.00 0.00 41.96 39.67 2b3j s TYR 77 CO 0.01 -0.51 0.13 0.54 -1.57 0.00 0.00 175.55 174.14 2b3j s VAL 78 N 0.63 -0.01 0.34 0.71 0.11 -0.29 -0.04 120.40 121.85 2b3j s VAL 78 Ca -0.11 0.05 0.33 0.00 -2.93 0.00 0.00 61.98 59.32 2b3j s VAL 78 Cb -0.16 -0.19 0.36 0.00 -1.53 0.00 0.00 36.38 34.85 2b3j s VAL 78 CO 0.02 0.02 2.09 0.71 -3.33 0.00 0.00 175.10 174.62 2b3j h THR 79 N 5.27 0.24 -3.96 5.04 1.35 -1.58 -1.68 112.91 117.60 2b3j h THR 79 Ca -0.30 -0.45 -0.45 0.00 -0.55 0.00 0.00 66.41 64.66 2b3j h THR 79 Cb 1.18 1.36 -0.22 0.00 -1.73 0.00 0.00 68.15 68.74 2b3j h THR 79 CO 0.43 0.06 -0.79 -0.22 -0.25 0.00 0.00 175.52 174.75 2b3j s LEU 80 N -6.60 2.27 -0.04 3.87 2.96 -1.26 -1.14 118.68 118.73 2b3j s LEU 80 Ca -0.02 -0.61 -0.34 0.00 -0.22 0.00 0.00 54.13 52.94 2b3j s LEU 80 Cb 0.11 -0.60 -0.12 0.00 0.50 0.00 0.00 46.19 46.08 2b3j s LEU 80 CO 0.53 -0.03 1.81 1.21 -1.32 0.00 0.00 176.35 178.55 2b3j n GLU 81 N 1.33 2.12 -1.69 1.98 2.13 0.41 -4.75 120.64 122.16 2b3j n GLU 81 Ca -0.20 0.77 -0.44 0.00 0.66 0.00 0.00 57.16 57.95 2b3j n GLU 81 Cb 0.54 -2.60 -0.02 0.00 0.27 0.00 0.00 31.44 29.64 2b3j n GLU 81 CO 0.00 0.00 0.00 -0.35 -0.41 0.00 0.00 177.13 176.37 2b3j n PRO 82 N 5.88 2.22 -0.82 5.31 -0.04 -1.26 -4.68 135.00 141.60 2b3j n PRO 82 Ca 0.22 0.79 -0.17 0.00 -0.04 0.00 0.00 63.50 64.29 2b3j n PRO 82 Cb 0.29 -2.46 0.14 0.00 -0.04 0.00 0.00 33.50 31.42 2b3j n PRO 82 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2b3j h VAL 84 N -1.90 1.07 0.01 0.00 3.04 -1.91 0.79 116.25 117.35 2b3j h VAL 84 Ca -0.25 -0.23 -0.00 0.00 -1.01 0.00 0.00 66.70 65.21 2b3j h VAL 84 Cb 0.72 0.33 0.00 0.00 -2.01 0.00 0.00 31.29 30.33 2b3j h VAL 84 CO 0.17 0.12 -0.00 -0.03 -1.01 0.00 0.00 177.57 176.82 2b3j h MET 85 N 0.68 -0.01 -0.31 4.17 1.85 -1.96 -1.64 114.93 117.71 2b3j h MET 85 Ca 0.22 0.00 -0.10 0.00 -0.61 0.00 0.00 59.70 59.21 2b3j h MET 85 Cb 0.01 0.00 -0.01 0.00 0.43 0.00 0.00 31.60 32.02 2b3j h MET 85 CO -0.09 0.27 -0.24 0.00 -0.40 0.00 0.00 176.91 176.46 2b3j h ALA 87 N 1.21 0.77 -0.71 0.00 0.00 -0.82 0.58 119.26 120.29 2b3j h ALA 87 Ca 0.08 -0.16 -0.02 0.00 0.00 0.00 0.00 54.91 54.80 2b3j h ALA 87 Cb 0.69 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 18.22 2b3j h ALA 87 CO 0.05 0.38 0.36 0.78 0.00 0.00 0.00 179.25 180.82 2b3j h GLY 88 N 0.82 1.09 1.29 0.00 0.00 -0.93 -2.01 103.07 103.32 2b3j h GLY 88 Ca 0.20 -0.53 -0.09 0.00 0.00 0.00 0.00 47.33 46.91 2b3j h GLY 88 CO -0.02 0.50 -0.05 -0.84 0.00 0.00 0.00 176.54 176.13 2b3j h THR 89 N 0.99 1.26 -0.47 4.70 2.02 -0.54 -1.14 112.91 119.72 2b3j h THR 89 Ca 0.25 -1.12 -0.06 0.00 0.77 0.00 0.00 66.41 66.25 2b3j h THR 89 Cb 0.09 0.94 -0.02 0.00 -1.74 0.00 0.00 68.15 67.42 2b3j h THR 89 CO -0.03 0.39 0.04 0.40 0.37 0.00 0.00 175.52 176.69 2b3j h ILE 90 N 0.78 1.23 -0.23 3.11 2.04 -0.60 -0.38 117.51 123.45 2b3j h ILE 90 Ca 0.14 -0.89 -0.06 0.00 1.00 0.00 0.00 64.86 65.05 2b3j h ILE 90 Cb 0.54 0.83 -0.01 0.00 -0.74 0.00 0.00 36.82 37.44 2b3j h ILE 90 CO 0.03 0.32 -0.08 0.58 0.00 0.00 0.00 178.15 178.99 2b3j h VAL 91 N 0.70 1.30 0.00 1.67 2.07 -0.89 -2.16 116.25 118.93 2b3j h VAL 91 Ca 0.15 -1.12 0.00 0.00 0.82 0.00 0.00 66.70 66.54 2b3j h VAL 91 Cb 0.37 1.55 0.00 0.00 -1.52 0.00 0.00 31.29 31.69 2b3j h VAL 91 CO 0.01 0.35 0.00 0.24 0.02 0.00 0.00 177.57 178.19 2b3j h MET 92 N 0.18 0.00 -0.01 1.57 2.86 -0.94 -2.54 114.93 116.05 2b3j h MET 92 Ca 0.05 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.69 2b3j h MET 92 Cb 0.56 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.22 2b3j h MET 92 CO 0.03 0.00 -0.48 -1.13 1.06 0.00 0.00 176.91 176.39 2b3j n SER 93 N -2.55 1.60 -2.01 1.22 3.41 -0.18 -4.90 113.62 110.21 2b3j n SER 93 Ca 0.02 -1.25 -0.17 0.00 -0.26 0.00 0.00 58.87 57.21 2b3j n SER 93 Cb 0.28 0.44 0.00 0.00 -0.26 0.00 0.00 64.21 64.68 2b3j n SER 93 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 2b3j n ARG 94 N -0.40 -1.91 -2.00 4.33 5.12 -0.83 -0.40 116.66 120.56 2b3j n ARG 94 Ca 0.09 0.79 -0.42 0.00 -1.93 0.00 0.00 57.85 56.38 2b3j n ARG 94 Cb 0.42 -5.22 -0.03 0.00 -1.16 0.00 0.00 32.46 26.47 2b3j n ARG 94 CO 0.00 0.00 0.00 0.42 -1.93 0.00 0.00 177.63 176.12 2b3j s ILE 95 N -2.88 2.97 0.05 0.55 1.01 -1.08 -4.48 121.20 117.33 2b3j s ILE 95 Ca 0.05 0.60 0.15 0.00 0.00 0.00 0.00 60.65 61.46 2b3j s ILE 95 Cb -0.02 -3.38 0.05 0.00 0.01 0.00 0.00 42.46 39.11 2b3j s ILE 95 CO 0.07 0.03 1.56 1.55 0.00 0.00 0.00 174.94 178.14 2b3j h PRO 96 N 7.37 0.00 -3.34 2.79 0.13 -1.79 -3.41 132.00 133.76 2b3j h PRO 96 Ca -0.42 0.00 -0.21 0.00 -0.87 0.00 0.00 66.00 64.50 2b3j h PRO 96 Cb 1.20 0.00 -0.28 0.00 0.13 0.00 0.00 31.00 32.05 2b3j h PRO 96 CO 0.91 0.52 -0.56 0.50 -0.23 0.00 0.00 178.00 179.14 2b3j s ARG 97 N -3.25 0.15 -0.07 0.86 3.52 -1.24 -0.84 118.95 118.08 2b3j s ARG 97 Ca 0.01 0.26 0.04 0.00 -0.13 0.00 0.00 55.73 55.91 2b3j s ARG 97 Cb 0.10 -0.00 0.00 0.00 -1.56 0.00 0.00 34.95 33.49 2b3j s ARG 97 CO 0.73 -0.07 -0.18 0.08 -0.81 0.00 0.00 175.30 175.06 2b3j s VAL 98 N 0.43 1.53 -0.15 7.11 1.01 0.11 -1.27 120.40 129.17 2b3j s VAL 98 Ca -0.03 -0.73 0.01 0.00 0.00 0.00 0.00 61.98 61.22 2b3j s VAL 98 Cb -0.04 -1.34 0.02 0.00 0.00 0.00 0.00 36.38 35.02 2b3j s VAL 98 CO -0.02 0.44 -0.15 -0.69 0.00 0.00 0.00 175.10 174.68 2b3j s VAL 99 N 0.32 1.64 0.18 2.92 1.01 0.20 -0.82 120.40 125.85 2b3j s VAL 99 Ca -0.11 -0.68 0.07 0.00 0.00 0.00 0.00 61.98 61.25 2b3j s VAL 99 Cb -0.15 -1.53 -0.04 0.00 0.00 0.00 0.00 36.38 34.66 2b3j s VAL 99 CO 0.05 0.47 -0.14 -0.72 0.00 0.00 0.00 175.10 174.76 2b3j s TYR 100 N 1.43 1.56 0.00 5.22 -0.85 -0.18 -1.13 117.35 123.40 2b3j s TYR 100 Ca 0.04 -0.61 0.00 0.00 -0.52 0.00 0.00 57.07 55.99 2b3j s TYR 100 Cb -0.13 -0.76 0.00 0.00 0.38 0.00 0.00 41.96 41.45 2b3j s TYR 100 CO -0.11 0.26 0.00 0.41 -1.52 0.00 0.00 175.55 174.59 2b3j n GLY 101 N -0.15 1.20 3.80 5.49 0.00 -0.63 -2.10 105.19 112.79 2b3j n GLY 101 Ca -0.10 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.57 2b3j n GLY 101 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2b3j s ALA 102 N -4.00 3.01 0.31 4.61 0.00 -0.29 -2.21 121.76 123.19 2b3j s ALA 102 Ca 0.00 0.57 0.01 0.00 0.00 0.00 0.00 51.96 52.54 2b3j s ALA 102 Cb 0.00 -3.22 -0.03 0.00 0.00 0.00 0.00 23.12 19.86 2b3j s ALA 102 CO 0.00 -0.11 0.50 0.16 0.00 0.00 0.00 175.76 176.31 2b3j s ASP 103 N -1.89 6.31 -0.38 0.00 -4.77 -1.26 -0.45 116.67 114.24 2b3j s ASP 103 Ca 0.61 0.36 0.01 0.00 -3.30 0.00 0.00 52.55 50.24 2b3j s ASP 103 Cb -0.16 -1.99 0.11 0.00 -1.09 0.00 0.00 42.92 39.78 2b3j s ASP 103 CO 0.20 -0.23 0.12 -0.62 0.70 0.00 0.00 175.17 175.35 2b3j s ASP 104 N -3.97 4.97 0.55 2.11 -1.08 -1.26 -4.76 116.67 113.23 2b3j s ASP 104 Ca 0.38 -2.14 0.35 0.00 -0.52 0.00 0.00 52.55 50.63 2b3j s ASP 104 Cb -0.10 -1.72 1.50 0.00 -1.46 0.00 0.00 42.92 41.15 2b3j s ASP 104 CO 0.34 -0.44 2.02 -0.65 0.52 0.00 0.00 175.17 176.96 2b3j h PRO 105 N 7.76 0.00 0.10 4.34 0.11 -1.97 0.52 132.00 142.86 2b3j h PRO 105 Ca -0.08 0.00 -0.28 0.00 0.11 0.00 0.00 66.00 65.75 2b3j h PRO 105 Cb 1.03 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.13 2b3j h PRO 105 CO 0.60 0.00 -1.46 -0.22 -0.21 0.00 0.00 178.00 176.71 2b3j h LYS 106 N 0.00 0.22 0.00 1.05 3.64 -2.00 -3.44 116.57 116.04 2b3j h LYS 106 Ca 0.00 -0.37 0.00 0.00 -1.27 0.00 0.00 60.65 59.01 2b3j h LYS 106 Cb 0.43 0.14 0.00 0.00 -0.41 0.00 0.00 32.23 32.39 2b3j h LYS 106 CO 0.00 1.18 0.00 0.41 -2.27 0.00 0.00 179.45 178.77 2b3j n GLY 107 N 1.74 -0.89 3.74 5.01 0.00 -1.21 -5.00 105.19 108.59 2b3j n GLY 107 Ca -0.27 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.34 2b3j n GLY 107 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2b3j s GLY 108 N -0.17 1.96 -0.13 -0.02 0.00 0.18 -4.20 107.32 104.94 2b3j s GLY 108 Ca 0.00 1.47 0.15 0.00 0.00 0.00 0.00 44.72 46.33 2b3j s GLY 108 CO 0.00 2.53 1.17 0.00 0.00 0.00 0.00 173.10 176.80 2b3j n SER 110 N -0.81 3.64 0.00 0.00 7.64 -1.08 -1.05 113.62 121.96 2b3j n SER 110 Ca 0.14 -3.31 0.00 0.00 1.01 0.00 0.00 58.87 56.71 2b3j n SER 110 Cb 0.76 -0.39 0.00 0.00 -1.01 0.00 0.00 64.21 63.56 2b3j n SER 110 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2b3j n GLY 111 N -0.68 1.44 0.00 0.23 0.00 0.23 -4.87 105.19 101.54 2b3j n GLY 111 Ca 0.31 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.33 2b3j n GLY 111 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2b3j n SER 112 N 0.00 0.00 0.15 1.61 7.64 -1.26 -4.48 113.62 117.29 2b3j n SER 112 Ca 0.00 0.19 0.02 0.00 1.01 0.00 0.00 58.87 60.09 2b3j n SER 112 Cb 0.00 -0.21 0.18 0.00 -1.01 0.00 0.00 64.21 63.17 2b3j n SER 112 CO 0.00 0.00 0.00 -0.07 -3.01 0.00 0.00 175.04 171.96 2b3j h LEU 113 N 0.00 0.00 -8.00 -3.43 4.07 -1.33 -3.48 115.31 103.15 2b3j h LEU 113 Ca 0.00 0.00 0.32 0.00 0.08 0.00 0.00 57.88 58.28 2b3j h LEU 113 Cb 0.00 0.00 -0.06 0.00 1.08 0.00 0.00 40.66 41.68 2b3j h LEU 113 CO 0.00 0.53 0.87 0.00 -1.08 0.00 0.00 178.44 178.75 2b3j s MET 114 N -3.35 0.50 -0.45 1.13 0.23 -1.25 -5.05 119.30 111.06 2b3j s MET 114 Ca 0.01 -0.33 0.03 0.00 -1.03 0.00 0.00 55.69 54.37 2b3j s MET 114 Cb 0.10 0.14 0.16 0.00 -1.53 0.00 0.00 34.83 33.70 2b3j s MET 114 CO 0.73 -0.23 0.33 1.21 -2.03 0.00 0.00 175.02 175.02 2b3j s ASN 115 N -3.80 2.51 0.32 -1.18 3.84 -1.25 0.77 114.94 116.15 2b3j s ASN 115 Ca 0.29 -2.98 0.24 0.00 0.21 0.00 0.00 52.86 50.61 2b3j s ASN 115 Cb -0.01 -0.70 1.17 0.00 -0.55 0.00 0.00 41.25 41.16 2b3j s ASN 115 CO 0.00 -0.19 1.72 -0.07 -2.79 0.00 0.00 177.10 175.77 2b3j h LEU 116 N 5.98 0.00 -0.20 3.21 3.38 -1.46 -1.94 115.31 124.28 2b3j h LEU 116 Ca 0.18 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.15 2b3j h LEU 116 Cb 0.90 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.65 2b3j h LEU 116 CO 0.42 0.00 -0.08 0.18 0.09 0.00 0.00 178.44 179.06 2b3j n LEU 117 N -2.31 0.38 -2.84 1.67 4.77 -1.26 -4.06 117.00 113.34 2b3j n LEU 117 Ca -0.00 0.03 -0.12 0.00 -0.03 0.00 0.00 56.01 55.89 2b3j n LEU 117 Cb 0.11 -0.17 0.02 0.00 -2.33 0.00 0.00 43.42 41.04 2b3j n LEU 117 CO 0.14 0.07 -0.11 0.00 -1.33 0.00 0.00 177.39 176.16 2b3j n GLN 118 N -0.97 1.08 -3.39 3.23 6.02 -0.73 -0.39 117.38 122.23 2b3j n GLN 118 Ca 0.16 -3.18 -0.39 0.00 -0.01 0.00 0.00 57.00 53.58 2b3j n GLN 118 Cb 0.26 -1.33 -0.08 0.00 1.02 0.00 0.00 30.24 30.10 2b3j n GLN 118 CO 0.00 0.00 0.00 -0.65 -1.01 0.00 0.00 177.06 175.40 2b3j s GLN 119 N -2.61 4.08 0.53 -1.09 -1.52 -1.25 -4.97 119.66 112.83 2b3j s GLN 119 Ca 0.31 0.11 0.27 0.00 -1.95 0.00 0.00 55.36 54.10 2b3j s GLN 119 Cb 0.41 -3.61 1.50 0.00 -0.22 0.00 0.00 33.01 31.10 2b3j s GLN 119 CO -0.01 -0.19 2.11 0.66 -0.25 0.00 0.00 175.29 177.61 2b3j h SER 120 N 7.85 0.00 0.05 5.90 4.64 -1.95 -2.21 113.55 127.83 2b3j h SER 120 Ca -0.33 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.99 2b3j h SER 120 Cb 1.16 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.25 2b3j h SER 120 CO 0.68 0.10 -0.03 -0.46 -0.87 0.00 0.00 176.83 176.24 2b3j n ASN 121 N -3.73 1.04 -4.95 4.97 6.94 -1.26 -4.87 115.26 113.39 2b3j n ASN 121 Ca -0.02 -1.25 -0.23 0.00 -0.02 0.00 0.00 54.58 53.06 2b3j n ASN 121 Cb 0.20 0.00 -0.02 0.00 -2.36 0.00 0.00 39.78 37.61 2b3j n ASN 121 CO 0.00 0.00 0.00 -0.36 -1.03 0.00 0.00 177.26 175.87 2b3j s PHE 122 N -2.09 3.48 -2.08 -2.53 0.40 -0.83 -5.00 117.98 109.32 2b3j s PHE 122 Ca 0.38 0.22 0.14 0.00 -0.60 0.00 0.00 56.93 57.07 2b3j s PHE 122 Cb 0.21 -1.78 0.62 0.00 0.51 0.00 0.00 43.02 42.58 2b3j s PHE 122 CO 0.37 0.27 1.43 0.27 0.70 0.00 0.00 175.22 178.26 2b3j n ASN 123 N -1.50 0.87 -3.67 1.36 0.23 -1.26 -4.83 115.26 106.46 2b3j n ASN 123 Ca -0.06 -1.74 -0.13 0.00 -0.53 0.00 0.00 54.58 52.12 2b3j n ASN 123 Cb 0.56 -0.08 -0.08 0.00 -2.08 0.00 0.00 39.78 38.10 2b3j n ASN 123 CO 0.00 0.00 0.00 -2.28 -0.93 0.00 0.00 177.26 174.05 2b3j s HIS 124 N -1.84 -0.68 0.07 -2.53 5.04 -1.26 -5.14 115.29 108.94 2b3j s HIS 124 Ca 0.23 1.65 0.03 0.00 -1.54 0.00 0.00 55.06 55.42 2b3j s HIS 124 Cb 0.11 0.25 -0.03 0.00 0.04 0.00 0.00 32.58 32.95 2b3j s HIS 124 CO 0.17 -0.33 -0.08 1.03 -2.34 0.00 0.00 174.74 173.19 2b3j s ARG 125 N 0.40 0.68 0.13 2.88 0.52 -1.26 -4.66 118.95 117.65 2b3j s ARG 125 Ca -0.01 -0.99 0.07 0.00 -0.52 0.00 0.00 55.73 54.28 2b3j s ARG 125 Cb -0.04 -0.35 -0.04 0.00 0.52 0.00 0.00 34.95 35.04 2b3j s ARG 125 CO -0.00 0.05 -0.15 0.00 0.02 0.00 0.00 175.30 175.21 2b3j s ALA 126 N -2.13 1.62 0.18 2.13 0.00 0.47 -4.83 121.76 119.21 2b3j s ALA 126 Ca -0.01 -1.34 -0.30 0.00 0.00 0.00 0.00 51.96 50.31 2b3j s ALA 126 Cb -0.05 -0.10 -0.08 0.00 0.00 0.00 0.00 23.12 22.89 2b3j s ALA 126 CO -0.01 0.13 1.22 0.42 0.00 0.00 0.00 175.76 177.53 2b3j s ILE 127 N -2.12 3.53 -0.19 0.00 1.01 -0.02 -4.71 121.20 118.70 2b3j s ILE 127 Ca 0.11 1.27 0.01 0.00 0.00 0.00 0.00 60.65 62.03 2b3j s ILE 127 Cb -0.05 -3.81 0.03 0.00 0.01 0.00 0.00 42.46 38.64 2b3j s ILE 127 CO 0.04 0.19 -0.14 -0.69 0.00 0.00 0.00 174.94 174.34 2b3j s VAL 128 N 0.05 1.81 -0.18 2.92 1.01 -1.26 0.10 120.40 124.86 2b3j s VAL 128 Ca 0.54 -0.95 -0.02 0.00 0.00 0.00 0.00 61.98 61.55 2b3j s VAL 128 Cb -0.33 -1.76 -0.01 0.00 0.00 0.00 0.00 36.38 34.29 2b3j s VAL 128 CO 0.36 0.34 -0.11 -1.81 0.00 0.00 0.00 175.10 173.89 2b3j s ASP 129 N 1.36 3.97 0.48 3.32 1.01 0.00 -5.00 116.67 121.80 2b3j s ASP 129 Ca 0.02 -0.42 0.06 0.00 0.71 0.00 0.00 52.55 52.92 2b3j s ASP 129 Cb -0.15 -1.64 -0.00 0.00 1.01 0.00 0.00 42.92 42.14 2b3j s ASP 129 CO -0.10 0.05 0.28 -1.59 0.21 0.00 0.00 175.17 174.02 2b3j s LYS 130 N 1.02 2.27 0.00 8.23 -2.85 -1.26 -1.01 119.74 126.14 2b3j s LYS 130 Ca -0.01 -1.96 0.00 0.00 -1.00 0.00 0.00 55.97 53.01 2b3j s LYS 130 Cb -0.15 -2.02 0.00 0.00 -2.06 0.00 0.00 37.83 33.61 2b3j s LYS 130 CO -0.02 -0.37 0.00 0.41 0.10 0.00 0.00 175.35 175.47 2b3j n GLY 131 N -1.50 2.91 3.65 0.59 0.00 -0.89 -4.90 105.19 105.05 2b3j n GLY 131 Ca -0.03 0.00 -0.51 0.00 0.00 0.00 0.00 46.02 45.48 2b3j n GLY 131 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 2b3j n VAL 132 N -1.98 0.44 -2.49 1.61 0.31 -1.19 -0.14 118.33 114.89 2b3j n VAL 132 Ca 0.00 -0.12 -0.14 0.00 -0.01 0.00 0.00 64.34 64.07 2b3j n VAL 132 Cb 0.00 -1.68 -0.01 0.00 -0.91 0.00 0.00 33.84 31.24 2b3j n VAL 132 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2b3j n LEU 133 N 6.93 -1.27 -0.21 7.52 -0.00 -1.26 -3.94 117.00 124.77 2b3j n LEU 133 Ca 0.27 0.14 0.02 0.00 -0.00 0.00 0.00 56.01 56.44 2b3j n LEU 133 Cb 0.24 -2.23 0.12 0.00 -0.00 0.00 0.00 43.42 41.55 2b3j n LEU 133 CO 0.76 -0.12 0.87 0.11 -0.00 0.00 0.00 177.39 179.01 2b3j h LYS 134 N -0.08 0.16 -0.23 1.47 1.57 -0.76 -2.16 116.57 116.54 2b3j h LYS 134 Ca -0.32 -0.01 0.06 0.00 -1.87 0.00 0.00 60.65 58.51 2b3j h LYS 134 Cb 1.24 -0.04 -0.07 0.00 0.08 0.00 0.00 32.23 33.44 2b3j h LYS 134 CO 0.38 0.11 -0.28 1.05 -0.57 0.00 0.00 179.45 180.14 2b3j h GLU 135 N 0.17 -0.28 0.11 3.15 9.09 -1.88 0.02 114.58 124.95 2b3j h GLU 135 Ca 0.34 0.02 -0.01 0.00 0.05 0.00 0.00 59.36 59.77 2b3j h GLU 135 Cb 0.56 0.06 0.00 0.00 -1.65 0.00 0.00 28.75 27.73 2b3j h GLU 135 CO -0.51 -0.19 -0.05 0.00 0.05 0.00 0.00 179.01 178.31 2b3j h ALA 136 N 0.68 -0.15 -0.74 1.06 0.00 -1.82 -2.04 119.26 116.25 2b3j h ALA 136 Ca 0.13 -0.08 0.12 0.00 0.00 0.00 0.00 54.91 55.07 2b3j h ALA 136 Cb 0.50 0.06 -0.08 0.00 0.00 0.00 0.00 17.79 18.26 2b3j h ALA 136 CO -0.40 -0.53 0.34 0.00 0.00 0.00 0.00 179.25 178.67 2b3j h SER 138 N 0.55 0.95 -0.54 0.00 0.87 -0.89 -3.15 113.55 111.34 2b3j h SER 138 Ca 0.39 -0.37 0.04 0.00 -1.23 0.00 0.00 61.79 60.62 2b3j h SER 138 Cb 0.50 -0.26 -0.04 0.00 -0.44 0.00 0.00 62.40 62.15 2b3j h SER 138 CO -0.33 1.14 0.30 0.74 -0.53 0.00 0.00 176.83 178.15 2b3j h THR 139 N 0.80 1.01 -0.78 2.23 2.02 -0.70 -1.46 112.91 116.03 2b3j h THR 139 Ca 0.10 -0.20 0.13 0.00 0.77 0.00 0.00 66.41 67.20 2b3j h THR 139 Cb 0.80 0.36 -0.09 0.00 -1.74 0.00 0.00 68.15 67.49 2b3j h THR 139 CO 0.07 0.11 0.37 -0.07 0.37 0.00 0.00 175.52 176.37 2b3j h LEU 140 N 0.59 0.44 -0.35 2.58 3.38 -1.43 -0.15 115.31 120.38 2b3j h LEU 140 Ca 0.23 0.09 -0.15 0.00 0.09 0.00 0.00 57.88 58.13 2b3j h LEU 140 Cb 0.08 0.02 -0.00 0.00 0.09 0.00 0.00 40.66 40.85 2b3j h LEU 140 CO -0.13 0.21 -0.38 -0.07 0.09 0.00 0.00 178.44 178.16 2b3j h LEU 141 N 0.57 0.94 -0.23 1.67 3.38 -1.40 -2.74 115.31 117.49 2b3j h LEU 141 Ca 0.41 -0.47 -0.01 0.00 0.09 0.00 0.00 57.88 57.89 2b3j h LEU 141 Cb 0.54 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 41.02 2b3j h LEU 141 CO -0.34 1.22 0.09 0.74 0.09 0.00 0.00 178.44 180.25 2b3j h THR 142 N 0.68 1.16 -0.50 0.22 2.02 -0.50 -2.73 112.91 113.26 2b3j h THR 142 Ca 0.05 -0.50 0.07 0.00 0.77 0.00 0.00 66.41 66.80 2b3j h THR 142 Cb 0.97 1.06 -0.06 0.00 -1.74 0.00 0.00 68.15 68.39 2b3j h THR 142 CO 0.09 0.16 0.18 0.74 0.37 0.00 0.00 175.52 177.07 2b3j h THR 143 N 0.22 0.83 0.61 3.16 2.02 -1.06 -2.54 112.91 116.15 2b3j h THR 143 Ca 0.08 -0.12 -0.02 0.00 0.77 0.00 0.00 66.41 67.11 2b3j h THR 143 Cb 0.17 0.44 -0.01 0.00 -1.74 0.00 0.00 68.15 67.01 2b3j h THR 143 CO -0.01 0.07 -0.49 0.15 0.37 0.00 0.00 175.52 175.61 2b3j h PHE 144 N 0.36 -1.32 0.00 3.16 3.57 -1.28 -2.51 116.94 118.91 2b3j h PHE 144 Ca 0.24 -0.00 -0.02 0.00 3.53 0.00 0.00 57.97 61.72 2b3j h PHE 144 Cb 0.25 0.50 -0.00 0.00 2.79 0.00 0.00 35.95 39.49 2b3j h PHE 144 CO -0.16 -0.68 -0.08 0.74 -2.23 0.00 0.00 178.31 175.90 2b3j h PHE 145 N -1.07 0.00 0.53 0.41 0.04 -1.48 -1.97 116.94 113.41 2b3j h PHE 145 Ca -0.08 0.00 -0.03 0.00 2.80 0.00 0.00 57.97 60.67 2b3j h PHE 145 Cb 0.90 0.00 0.01 0.00 2.20 0.00 0.00 35.95 39.05 2b3j h PHE 145 CO -0.19 0.08 -0.26 0.87 -0.60 0.00 0.00 178.31 178.21 2b3j h LYS 146 N 0.00 -0.69 -1.01 1.51 6.56 -1.18 -1.97 116.57 119.78 2b3j h LYS 146 Ca -0.00 0.05 0.06 0.00 -1.06 0.00 0.00 60.65 59.70 2b3j h LYS 146 Cb 0.26 0.16 -0.07 0.00 -0.57 0.00 0.00 32.23 32.01 2b3j h LYS 146 CO 0.01 -0.39 0.65 -0.97 -2.06 0.00 0.00 179.45 176.70 2b3j h ASN 147 N -0.98 1.05 -0.01 0.86 -1.24 -1.19 -2.70 115.58 111.36 2b3j h ASN 147 Ca -0.07 0.01 -0.00 0.00 0.71 0.00 0.00 56.30 56.94 2b3j h ASN 147 Cb 0.63 -0.22 -0.00 0.00 0.73 0.00 0.00 38.32 39.46 2b3j h ASN 147 CO 0.12 0.67 0.00 0.25 -1.29 0.00 0.00 177.43 177.18 2b3j h LEU 148 N 1.19 0.01 -1.35 0.34 5.85 -1.33 -2.60 115.31 117.42 2b3j h LEU 148 Ca 0.43 -0.17 -0.05 0.00 0.84 0.00 0.00 57.88 58.94 2b3j h LEU 148 Cb 0.15 -0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.17 2b3j h LEU 148 CO -0.17 0.17 -0.06 0.03 -0.34 0.00 0.00 178.44 178.07 2b3j h ARG 149 N -0.16 0.36 -0.21 1.25 3.08 -1.21 -2.11 114.38 115.37 2b3j h ARG 149 Ca 0.00 -0.08 -0.11 0.00 0.07 0.00 0.00 59.98 59.86 2b3j h ARG 149 Cb 0.17 -0.05 -0.01 0.00 0.08 0.00 0.00 29.97 30.15 2b3j h ARG 149 CO -0.00 0.44 -0.35 0.00 -1.07 0.00 0.00 179.97 178.98 2b3j h ALA 150 N 1.60 1.01 0.06 0.04 0.00 -1.37 -3.20 119.26 117.39 2b3j h ALA 150 Ca 0.07 -0.40 -0.26 0.00 0.00 0.00 0.00 54.91 54.32 2b3j h ALA 150 Cb 0.33 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.00 2b3j h ALA 150 CO 0.01 0.60 -1.28 -0.91 0.00 0.00 0.00 179.25 177.68 2b3j h ASN 151 N 0.38 0.20 0.00 0.00 4.21 -1.08 -3.52 115.58 115.76 2b3j h ASN 151 Ca 0.04 -0.24 0.00 0.00 1.21 0.00 0.00 56.30 57.31 2b3j h ASN 151 Cb 0.80 -0.06 0.00 0.00 -1.12 0.00 0.00 38.32 37.94 2b3j h ASN 151 CO 0.06 1.19 0.00 0.29 -1.29 0.00 0.00 177.43 177.69