#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2b3j h THR 2 N 0.00 1.18 -0.64 1.12 1.35 -2.05 -0.91 112.91 112.96 2b3j h THR 2 Ca 0.00 -0.54 -0.04 0.00 -0.55 0.00 0.00 66.41 65.28 2b3j h THR 2 Cb 0.00 0.54 -0.03 0.00 -1.73 0.00 0.00 68.15 66.93 2b3j h THR 2 CO 0.00 0.22 0.25 0.78 -0.25 0.00 0.00 175.52 176.52 2b3j h ASN 3 N 0.73 0.90 -0.85 5.36 4.21 -2.06 -1.82 115.58 122.06 2b3j h ASN 3 Ca 0.18 -0.18 -0.00 0.00 1.21 0.00 0.00 56.30 57.51 2b3j h ASN 3 Cb 0.11 -0.23 -0.04 0.00 -1.12 0.00 0.00 38.32 37.04 2b3j h ASN 3 CO -0.02 0.84 0.52 0.44 -1.29 0.00 0.00 177.43 177.92 2b3j h ASP 4 N 0.91 1.01 -0.32 5.81 3.45 -1.66 -2.02 116.42 123.60 2b3j h ASP 4 Ca 0.21 -0.05 -0.12 0.00 0.43 0.00 0.00 57.03 57.50 2b3j h ASP 4 Cb 0.22 -0.25 -0.01 0.00 -0.56 0.00 0.00 39.33 38.73 2b3j h ASP 4 CO -0.02 0.77 -0.24 0.40 -1.57 0.00 0.00 179.24 178.58 2b3j h ILE 5 N 1.17 1.27 0.22 0.35 2.04 -0.91 -0.60 117.51 121.04 2b3j h ILE 5 Ca 0.31 -1.38 0.01 0.00 1.00 0.00 0.00 64.86 64.80 2b3j h ILE 5 Cb -0.07 1.23 -0.03 0.00 -0.74 0.00 0.00 36.82 37.21 2b3j h ILE 5 CO -0.06 0.46 -0.29 0.22 0.00 0.00 0.00 178.15 178.48 2b3j h TYR 6 N 0.70 -0.79 -0.22 1.37 3.20 -0.65 0.15 116.97 120.74 2b3j h TYR 6 Ca 0.09 0.01 -0.13 0.00 3.14 0.00 0.00 58.73 61.85 2b3j h TYR 6 Cb 0.77 0.32 -0.01 0.00 1.54 0.00 0.00 36.73 39.35 2b3j h TYR 6 CO 0.04 -0.41 -0.39 0.74 -1.64 0.00 0.00 178.16 176.50 2b3j h PHE 7 N -0.57 0.60 0.00 -3.82 0.04 -1.35 -2.59 116.94 109.26 2b3j h PHE 7 Ca 0.01 -0.17 -0.06 0.00 2.80 0.00 0.00 57.97 60.54 2b3j h PHE 7 Cb 0.55 -0.13 -0.01 0.00 2.20 0.00 0.00 35.95 38.56 2b3j h PHE 7 CO -0.22 0.83 -0.30 1.98 -0.60 0.00 0.00 178.31 180.00 2b3j h MET 8 N 0.42 0.00 -0.71 1.51 4.05 -0.92 -1.70 114.93 117.59 2b3j h MET 8 Ca 0.04 0.00 -0.02 0.00 -0.28 0.00 0.00 59.70 59.44 2b3j h MET 8 Cb 0.88 0.00 -0.03 0.00 -0.80 0.00 0.00 31.60 31.64 2b3j h MET 8 CO 0.07 0.30 0.37 1.15 0.23 0.00 0.00 176.91 179.04 2b3j h THR 9 N 0.00 1.22 0.00 -0.77 2.02 -0.56 0.04 112.91 114.86 2b3j h THR 9 Ca -0.00 -0.58 -0.11 0.00 0.77 0.00 0.00 66.41 66.49 2b3j h THR 9 Cb 0.61 0.31 -0.02 0.00 -1.74 0.00 0.00 68.15 67.32 2b3j h THR 9 CO 0.04 0.25 -0.50 -0.07 0.37 0.00 0.00 175.52 175.60 2b3j h LEU 10 N 0.98 0.00 -0.50 2.58 3.38 -1.21 -1.79 115.31 118.74 2b3j h LEU 10 Ca 0.25 0.00 -0.16 0.00 0.09 0.00 0.00 57.88 58.06 2b3j h LEU 10 Cb 0.06 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.81 2b3j h LEU 10 CO -0.04 0.50 -0.51 0.00 0.09 0.00 0.00 178.44 178.49 2b3j h ALA 11 N 1.50 0.67 -0.47 1.53 0.00 -0.49 -1.61 119.26 120.38 2b3j h ALA 11 Ca -0.01 -0.49 -0.12 0.00 0.00 0.00 0.00 54.91 54.29 2b3j h ALA 11 Cb 0.90 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.59 2b3j h ALA 11 CO 0.07 0.68 -0.16 0.82 0.00 0.00 0.00 179.25 180.65 2b3j h ILE 12 N 0.51 1.27 -0.85 0.00 2.04 -0.73 0.25 117.51 120.00 2b3j h ILE 12 Ca 0.02 -1.31 -0.01 0.00 1.00 0.00 0.00 64.86 64.56 2b3j h ILE 12 Cb 1.06 1.12 -0.04 0.00 -0.74 0.00 0.00 36.82 38.22 2b3j h ILE 12 CO 0.10 0.45 0.50 -0.33 0.00 0.00 0.00 178.15 178.87 2b3j h GLU 13 N 0.80 1.16 -0.44 2.37 4.39 -1.21 0.17 114.58 121.82 2b3j h GLU 13 Ca 0.11 -0.11 -0.12 0.00 0.34 0.00 0.00 59.36 59.58 2b3j h GLU 13 Cb 0.73 -0.24 -0.01 0.00 -0.10 0.00 0.00 28.75 29.12 2b3j h GLU 13 CO 0.06 0.83 -0.19 1.49 -1.16 0.00 0.00 179.01 180.03 2b3j h GLU 14 N 1.18 0.90 -0.90 2.33 4.57 -0.87 -2.52 114.58 119.27 2b3j h GLU 14 Ca 0.30 -0.39 0.03 0.00 -1.18 0.00 0.00 59.36 58.13 2b3j h GLU 14 Cb -0.02 -0.03 -0.05 0.00 -0.16 0.00 0.00 28.75 28.48 2b3j h GLU 14 CO -0.05 1.04 0.59 0.00 -1.18 0.00 0.00 179.01 179.40 2b3j h ALA 15 N 0.84 1.43 -0.10 2.92 0.00 0.59 -0.92 119.26 124.02 2b3j h ALA 15 Ca 0.10 -0.04 -0.07 0.00 0.00 0.00 0.00 54.91 54.89 2b3j h ALA 15 Cb 0.76 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 18.21 2b3j h ALA 15 CO 0.06 0.49 -0.28 0.87 0.00 0.00 0.00 179.25 180.39 2b3j h LYS 16 N 1.13 0.18 -0.45 0.00 1.57 -0.34 -1.99 116.57 116.68 2b3j h LYS 16 Ca 0.36 -0.06 -0.01 0.00 -1.87 0.00 0.00 60.65 59.07 2b3j h LYS 16 Cb 0.01 -0.02 -0.02 0.00 0.08 0.00 0.00 32.23 32.29 2b3j h LYS 16 CO -0.11 0.45 0.25 0.87 -0.57 0.00 0.00 179.45 180.35 2b3j h LYS 17 N 0.17 0.62 -0.65 3.15 1.57 -0.77 -1.51 116.57 119.15 2b3j h LYS 17 Ca 0.03 -0.07 -0.02 0.00 -1.87 0.00 0.00 60.65 58.72 2b3j h LYS 17 Cb 0.58 -0.12 -0.03 0.00 0.08 0.00 0.00 32.23 32.74 2b3j h LYS 17 CO 0.04 0.48 0.34 0.00 -0.57 0.00 0.00 179.45 179.74 2b3j h ALA 18 N 1.10 1.37 -0.29 3.86 0.00 -1.06 -2.43 119.26 121.81 2b3j h ALA 18 Ca 0.16 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.96 2b3j h ALA 18 Cb 0.03 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.55 2b3j h ALA 18 CO -0.03 0.51 0.19 0.00 0.00 0.00 0.00 179.25 179.93 2b3j h ALA 19 N 1.46 0.37 -0.02 0.00 0.00 -0.64 -0.69 119.26 119.75 2b3j h ALA 19 Ca 0.23 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.12 2b3j h ALA 19 Cb 0.06 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 17.73 2b3j h ALA 19 CO -0.03 -0.16 0.08 -0.56 0.00 0.00 0.00 179.25 178.58 2b3j h GLN 20 N 0.40 0.00 -0.01 0.00 -0.00 -0.80 0.12 115.11 114.81 2b3j h GLN 20 Ca 0.11 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.76 2b3j h GLN 20 Cb -0.04 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 27.44 2b3j h GLN 20 CO -0.02 0.00 -0.24 1.28 -0.00 0.00 0.00 178.83 179.84 2b3j n LEU 21 N -3.18 1.50 0.00 0.06 4.77 -0.56 -4.93 117.00 114.66 2b3j n LEU 21 Ca -0.02 -0.48 0.00 0.00 -0.03 0.00 0.00 56.01 55.48 2b3j n LEU 21 Cb 0.15 -0.06 0.00 0.00 -2.33 0.00 0.00 43.42 41.18 2b3j n LEU 21 CO 0.20 0.27 0.00 0.61 -1.33 0.00 0.00 177.39 177.14 2b3j n GLY 22 N 1.33 0.63 3.92 -0.72 0.00 0.42 -4.96 105.19 105.82 2b3j n GLY 22 Ca 0.13 -0.33 -0.27 0.00 0.00 0.00 0.00 46.02 45.55 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 -0.79 3.55 0.09 1.61 0.41 -0.37 -5.01 118.70 118.18 2b3j s GLU 23 Ca 0.00 -0.23 -0.33 0.00 -0.41 0.00 0.00 54.97 54.00 2b3j s GLU 23 Cb 0.00 -2.74 -0.12 0.00 -1.78 0.00 0.00 34.13 29.50 2b3j s GLU 23 CO 0.00 0.28 1.79 0.28 -0.49 0.00 0.00 175.26 177.12 2b3j n VAL 24 N -1.03 0.32 -1.84 2.63 0.31 -1.26 -3.92 118.33 113.54 2b3j n VAL 24 Ca -0.04 -0.06 -0.21 0.00 -0.01 0.00 0.00 64.34 64.02 2b3j n VAL 24 Cb 0.54 -1.93 -0.08 0.00 -0.91 0.00 0.00 33.84 31.47 2b3j n VAL 24 CO 0.00 0.00 0.00 -2.16 -1.32 0.00 0.00 176.83 173.35 2b3j s PRO 25 N 2.58 1.93 -0.04 5.55 0.04 -1.26 -4.64 135.00 139.16 2b3j s PRO 25 Ca 0.84 -0.54 0.02 0.00 0.04 0.00 0.00 61.00 61.36 2b3j s PRO 25 Cb -0.58 -5.06 0.01 0.00 0.04 0.00 0.00 34.50 28.91 2b3j s PRO 25 CO 0.41 -4.46 -0.10 0.42 0.04 0.00 0.00 177.00 173.31 2b3j s ILE 26 N 13.42 0.88 0.11 0.56 -1.09 -1.26 -4.67 121.20 129.15 2b3j s ILE 26 Ca 0.76 -0.38 0.04 0.00 -2.23 0.00 0.00 60.65 58.84 2b3j s ILE 26 Cb -0.05 -0.80 -0.04 0.00 -1.58 0.00 0.00 42.46 39.99 2b3j s ILE 26 CO 0.12 0.28 -0.10 -0.83 -1.23 0.00 0.00 174.94 173.18 2b3j s GLY 27 N 0.39 0.91 0.03 6.18 0.00 -1.25 -2.00 107.32 111.58 2b3j s GLY 27 Ca -0.07 -1.29 -0.01 0.00 0.00 0.00 0.00 44.72 43.34 2b3j s GLY 27 CO 0.01 -1.37 -0.00 0.00 0.00 0.00 0.00 173.10 171.74 2b3j s ALA 28 N -2.79 0.16 -0.00 3.20 0.00 0.38 -1.49 121.76 121.21 2b3j s ALA 28 Ca 0.09 -0.71 0.01 0.00 0.00 0.00 0.00 51.96 51.35 2b3j s ALA 28 Cb -0.01 0.19 0.00 0.00 0.00 0.00 0.00 23.12 23.31 2b3j s ALA 28 CO -0.00 -0.24 -0.01 0.42 0.00 0.00 0.00 175.76 175.93 2b3j s ILE 29 N -2.23 0.14 -0.10 0.00 -1.09 0.16 -1.46 121.20 116.62 2b3j s ILE 29 Ca -0.09 -0.05 0.03 0.00 -2.23 0.00 0.00 60.65 58.31 2b3j s ILE 29 Cb -0.04 -0.14 0.01 0.00 -1.58 0.00 0.00 42.46 40.71 2b3j s ILE 29 CO -0.04 0.05 -0.20 -0.63 -1.23 0.00 0.00 174.94 172.90 2b3j s ILE 30 N 0.09 1.78 0.26 2.92 1.01 0.50 0.20 121.20 127.97 2b3j s ILE 30 Ca -0.01 -0.84 0.10 0.00 0.00 0.00 0.00 60.65 59.91 2b3j s ILE 30 Cb -0.02 -1.57 -0.05 0.00 0.01 0.00 0.00 42.46 40.83 2b3j s ILE 30 CO -0.00 0.50 -0.10 0.42 0.00 0.00 0.00 174.94 175.75 2b3j s THR 31 N 0.61 2.99 -0.22 2.92 -4.23 -0.05 -1.08 115.64 116.58 2b3j s THR 31 Ca -0.14 -2.08 -0.10 0.00 -1.18 0.00 0.00 61.69 58.19 2b3j s THR 31 Cb -0.17 -2.57 0.08 0.00 1.34 0.00 0.00 72.50 71.19 2b3j s THR 31 CO 0.04 -0.34 0.51 -0.75 -0.54 0.00 0.00 174.62 173.54 2b3j s LYS 32 N -3.45 0.47 -1.41 3.99 2.36 -0.06 -0.91 119.74 120.73 2b3j s LYS 32 Ca 0.29 1.04 -0.08 0.00 -2.55 0.00 0.00 55.97 54.67 2b3j s LYS 32 Cb -0.06 0.22 0.02 0.00 -1.05 0.00 0.00 37.83 36.95 2b3j s LYS 32 CO 0.17 -0.18 1.05 -0.25 1.55 0.00 0.00 175.35 177.69 2b3j n ASP 33 N 4.71 -6.22 -1.88 1.43 8.00 -1.26 -1.61 116.55 119.72 2b3j n ASP 33 Ca -0.17 -0.50 -0.21 0.00 0.71 0.00 0.00 54.79 54.61 2b3j n ASP 33 Cb 0.54 -4.93 -0.06 0.00 -0.02 0.00 0.00 41.12 36.65 2b3j n ASP 33 CO 0.00 0.00 0.00 -0.67 -0.39 0.00 0.00 177.20 176.14 2b3j n ASP 34 N -2.90 -5.67 -4.20 -2.24 2.03 -1.26 -4.98 116.55 97.33 2b3j n ASP 34 Ca -0.01 0.33 -0.25 0.00 0.52 0.00 0.00 54.79 55.38 2b3j n ASP 34 Cb 0.57 -4.90 -0.15 0.00 -0.72 0.00 0.00 41.12 35.92 2b3j n ASP 34 CO 0.00 0.00 0.00 -1.61 -1.92 0.00 0.00 177.20 173.67 2b3j s GLU 35 N -4.21 1.41 -0.11 -0.67 8.01 -0.64 -5.11 118.70 117.39 2b3j s GLU 35 Ca 0.00 -0.77 -0.30 0.00 0.01 0.00 0.00 54.97 53.92 2b3j s GLU 35 Cb 0.00 -1.42 -0.03 0.00 -4.31 0.00 0.00 34.13 28.37 2b3j s GLU 35 CO 0.00 0.38 1.31 0.08 0.01 0.00 0.00 175.26 177.04 2b3j s VAL 36 N -0.60 4.12 -0.36 2.63 1.01 -1.26 -0.88 120.40 125.07 2b3j s VAL 36 Ca 0.07 1.40 0.10 0.00 0.00 0.00 0.00 61.98 63.55 2b3j s VAL 36 Cb -0.08 -3.90 -0.13 0.00 0.00 0.00 0.00 36.38 32.27 2b3j s VAL 36 CO 0.00 -0.08 0.38 2.30 0.00 0.00 0.00 175.10 177.71 2b3j n ILE 37 N 5.12 0.00 -3.55 2.22 -5.35 -0.24 -4.95 119.36 112.62 2b3j n ILE 37 Ca 0.13 -0.25 -0.15 0.00 -0.27 0.00 0.00 62.75 62.21 2b3j n ILE 37 Cb 0.45 0.79 -0.06 0.00 -1.74 0.00 0.00 39.64 39.08 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 -2.20 -1.83 0.05 -1.28 0.00 -1.08 -4.70 121.76 110.73 2b3j s ALA 38 Ca 0.02 1.45 -0.12 0.00 0.00 0.00 0.00 51.96 53.31 2b3j s ALA 38 Cb 0.08 -0.31 0.01 0.00 0.00 0.00 0.00 23.12 22.90 2b3j s ALA 38 CO 0.43 -0.35 0.26 -0.98 0.00 0.00 0.00 175.76 175.12 2b3j s ARG 39 N -1.05 0.77 0.05 0.00 1.70 -1.26 -0.37 118.95 118.79 2b3j s ARG 39 Ca -0.07 -0.59 -0.28 0.00 -0.47 0.00 0.00 55.73 54.32 2b3j s ARG 39 Cb -0.01 0.33 0.09 0.00 -0.57 0.00 0.00 34.95 34.79 2b3j s ARG 39 CO 0.07 -0.24 1.02 0.00 -1.08 0.00 0.00 175.30 175.06 2b3j s ALA 40 N -2.67 -1.84 0.12 7.88 0.00 -0.53 -4.73 121.76 119.98 2b3j s ALA 40 Ca -0.04 0.62 -0.00 0.00 0.00 0.00 0.00 51.96 52.53 2b3j s ALA 40 Cb -0.00 0.46 -0.04 0.00 0.00 0.00 0.00 23.12 23.53 2b3j s ALA 40 CO -0.04 -0.90 0.02 -3.38 0.00 0.00 0.00 175.76 171.46 2b3j s HIS 41 N -3.01 0.84 0.22 0.00 -3.43 -1.26 -0.47 115.29 108.18 2b3j s HIS 41 Ca 0.10 -1.15 -0.31 0.00 -0.80 0.00 0.00 55.06 52.90 2b3j s HIS 41 Cb -0.00 -0.50 -0.14 0.00 -1.43 0.00 0.00 32.58 30.51 2b3j s HIS 41 CO -0.03 -0.42 1.28 -1.71 -2.00 0.00 0.00 174.74 171.86 2b3j n ASN 42 N -0.07 2.11 -0.63 7.38 5.15 -0.84 -4.36 115.26 123.99 2b3j n ASN 42 Ca -0.08 1.15 0.00 0.00 -0.60 0.00 0.00 54.58 55.05 2b3j n ASN 42 Cb 0.63 -1.34 0.00 0.00 -0.53 0.00 0.00 39.78 38.54 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 1.95 0.11 0.01 1.20 4.77 -0.43 -4.76 117.00 119.84 2b3j n LEU 43 Ca 0.12 -1.14 -0.10 0.00 -0.03 0.00 0.00 56.01 54.86 2b3j n LEU 43 Cb 0.29 0.00 -0.04 0.00 -2.33 0.00 0.00 43.42 41.34 2b3j n LEU 43 CO 0.62 0.39 0.80 0.03 -1.33 0.00 0.00 177.39 177.89 2b3j h ARG 44 N 0.12 -0.12 -0.39 3.23 3.08 -1.78 -0.20 114.38 118.32 2b3j h ARG 44 Ca -0.04 0.01 -0.16 0.00 0.07 0.00 0.00 59.98 59.86 2b3j h ARG 44 Cb 1.42 0.03 -0.01 0.00 0.08 0.00 0.00 29.97 31.49 2b3j h ARG 44 CO 0.01 -0.08 -0.37 0.93 -1.07 0.00 0.00 179.97 179.39 2b3j h GLU 45 N -0.12 0.93 -0.06 0.04 4.39 -1.92 0.68 114.58 118.51 2b3j h GLU 45 Ca 0.07 -0.48 -0.01 0.00 0.34 0.00 0.00 59.36 59.28 2b3j h GLU 45 Cb 0.22 0.01 -0.00 0.00 -0.10 0.00 0.00 28.75 28.88 2b3j h GLU 45 CO -0.16 1.14 0.02 1.15 -1.16 0.00 0.00 179.01 179.99 2b3j h THR 46 N 0.76 1.19 0.00 1.13 2.02 -1.90 -3.23 112.91 112.88 2b3j h THR 46 Ca 0.07 -0.57 0.00 0.00 0.77 0.00 0.00 66.41 66.67 2b3j h THR 46 Cb 0.96 1.45 0.00 0.00 -1.74 0.00 0.00 68.15 68.82 2b3j h THR 46 CO 0.09 0.16 -0.93 0.18 0.37 0.00 0.00 175.52 175.40 2b3j n LEU 47 N -4.91 0.70 -3.52 2.58 4.77 -0.10 -4.97 117.00 111.54 2b3j n LEU 47 Ca -0.07 0.18 -0.19 0.00 -0.03 0.00 0.00 56.01 55.91 2b3j n LEU 47 Cb 0.14 -0.11 0.07 0.00 -2.33 0.00 0.00 43.42 41.20 2b3j n LEU 47 CO 0.34 -0.07 0.07 0.00 -1.33 0.00 0.00 177.39 176.40 2b3j n GLN 48 N -2.27 -6.23 -4.46 3.23 1.13 0.24 -5.00 117.38 104.01 2b3j n GLN 48 Ca 0.01 0.78 -0.28 0.00 -1.94 0.00 0.00 57.00 55.57 2b3j n GLN 48 Cb 0.48 -5.68 -0.17 0.00 0.11 0.00 0.00 30.24 24.98 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 -5.60 2.20 0.33 -1.09 -1.52 -1.12 -5.02 119.66 107.83 2b3j s GLN 49 Ca 0.05 -0.55 0.25 0.00 -1.95 0.00 0.00 55.36 53.15 2b3j s GLN 49 Cb -0.02 -1.87 1.16 0.00 -0.22 0.00 0.00 33.01 32.06 2b3j s GLN 49 CO 0.75 -0.06 1.75 -1.00 -0.25 0.00 0.00 175.29 176.48 2b3j h PRO 50 N 7.40 0.00 -0.02 2.91 0.13 -1.95 -2.35 132.00 138.13 2b3j h PRO 50 Ca -0.31 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.82 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 0.49 0.00 -0.30 0.25 -0.23 0.00 0.00 178.00 178.21 2b3j n THR 51 N -2.36 0.00 0.24 1.56 -2.24 -1.26 -4.65 114.28 105.57 2b3j n THR 51 Ca 0.00 -0.28 0.00 0.00 -2.27 0.00 0.00 64.05 61.50 2b3j n THR 51 Cb 0.16 1.07 0.00 0.00 -2.10 0.00 0.00 70.33 69.46 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 0.15 2.23 -1.74 6.98 0.00 -0.89 -4.52 120.51 122.73 2b3j n ALA 52 Ca 0.12 0.00 -0.33 0.00 0.00 0.00 0.00 53.44 53.23 2b3j n ALA 52 Cb 0.46 -1.17 -0.01 0.00 0.00 0.00 0.00 19.45 18.73 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 0.68 3.09 0.12 0.00 3.76 -1.26 -1.31 115.29 120.37 2b3j s HIS 53 Ca 0.00 1.52 -0.31 0.00 -0.15 0.00 0.00 55.06 56.12 2b3j s HIS 53 Cb 0.00 -2.97 -0.09 0.00 1.11 0.00 0.00 32.58 30.63 2b3j s HIS 53 CO 0.00 -0.86 1.58 0.00 -0.85 0.00 0.00 174.74 174.60 2b3j h ALA 54 N 0.85 -0.71 -0.25 -1.40 0.00 -1.83 -1.66 119.26 114.26 2b3j h ALA 54 Ca -0.48 -0.04 -0.04 0.00 0.00 0.00 0.00 54.91 54.35 2b3j h ALA 54 Cb 1.21 0.80 -0.01 0.00 0.00 0.00 0.00 17.79 19.79 2b3j h ALA 54 CO 0.59 -0.98 -0.01 1.05 0.00 0.00 0.00 179.25 179.89 2b3j h GLU 55 N -0.58 0.38 -0.47 0.00 9.09 -1.89 -0.93 114.58 120.18 2b3j h GLU 55 Ca 0.05 -0.07 -0.04 0.00 0.05 0.00 0.00 59.36 59.34 2b3j h GLU 55 Cb 0.66 -0.06 -0.02 0.00 -1.65 0.00 0.00 28.75 27.68 2b3j h GLU 55 CO -0.35 0.42 0.12 1.25 0.05 0.00 0.00 179.01 180.51 2b3j h HIS 56 N 0.37 0.79 -0.44 2.06 2.76 -1.75 0.25 115.15 119.19 2b3j h HIS 56 Ca 0.08 -0.09 -0.08 0.00 -2.20 0.00 0.00 60.37 58.08 2b3j h HIS 56 Cb 0.27 -0.22 -0.02 0.00 1.55 0.00 0.00 27.41 28.99 2b3j h HIS 56 CO 0.01 0.71 -0.03 0.82 -1.30 0.00 0.00 177.93 178.14 2b3j h ILE 57 N 0.64 1.27 -0.76 6.26 2.04 -0.88 -2.30 117.51 123.77 2b3j h ILE 57 Ca 0.15 -1.08 -0.02 0.00 1.00 0.00 0.00 64.86 64.90 2b3j h ILE 57 Cb 0.32 1.09 -0.04 0.00 -0.74 0.00 0.00 36.82 37.45 2b3j h ILE 57 CO 0.00 0.37 0.38 0.00 0.00 0.00 0.00 178.15 178.90 2b3j h ALA 58 N 0.89 1.24 -0.53 1.87 0.00 -0.95 -1.33 119.26 120.45 2b3j h ALA 58 Ca 0.12 -0.14 -0.05 0.00 0.00 0.00 0.00 54.91 54.84 2b3j h ALA 58 Cb 0.53 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 18.00 2b3j h ALA 58 CO 0.03 0.59 0.13 0.82 0.00 0.00 0.00 179.25 180.82 2b3j h ILE 59 N 1.07 1.24 -0.18 0.00 2.04 -0.74 0.23 117.51 121.17 2b3j h ILE 59 Ca 0.26 -0.86 -0.11 0.00 1.00 0.00 0.00 64.86 65.15 2b3j h ILE 59 Cb 0.09 0.78 -0.01 0.00 -0.74 0.00 0.00 36.82 36.94 2b3j h ILE 59 CO -0.04 0.32 -0.37 -0.33 0.00 0.00 0.00 178.15 177.73 2b3j h GLU 60 N 0.75 0.39 -0.29 2.37 5.08 -1.12 -0.37 114.58 121.38 2b3j h GLU 60 Ca 0.17 -0.18 -0.15 0.00 -1.00 0.00 0.00 59.36 58.20 2b3j h GLU 60 Cb 0.34 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.57 2b3j h GLU 60 CO 0.00 0.71 -0.41 0.00 -1.00 0.00 0.00 179.01 178.31 2b3j h ARG 61 N 0.33 0.71 -0.31 2.33 3.08 -0.89 -1.64 114.38 117.99 2b3j h ARG 61 Ca 0.03 -0.37 -0.03 0.00 0.07 0.00 0.00 59.98 59.68 2b3j h ARG 61 Cb 0.81 0.01 -0.01 0.00 0.08 0.00 0.00 29.97 30.86 2b3j h ARG 61 CO 0.06 0.99 0.06 0.00 -1.07 0.00 0.00 179.97 180.02 2b3j h ALA 62 N 0.96 0.41 -0.84 0.04 0.00 -0.25 -2.26 119.26 117.32 2b3j h ALA 62 Ca 0.05 -0.19 0.04 0.00 0.00 0.00 0.00 54.91 54.81 2b3j h ALA 62 Cb 0.95 -0.12 -0.05 0.00 0.00 0.00 0.00 17.79 18.57 2b3j h ALA 62 CO 0.09 0.09 0.54 0.00 0.00 0.00 0.00 179.25 179.96 2b3j h ALA 63 N 0.89 1.11 -0.41 0.00 0.00 -0.93 -1.34 119.26 118.57 2b3j h ALA 63 Ca 0.09 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.97 2b3j h ALA 63 Cb 0.32 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.81 2b3j h ALA 63 CO 0.00 0.36 0.22 -0.22 0.00 0.00 0.00 179.25 179.62 2b3j h LYS 64 N 1.04 0.57 -0.65 0.00 3.64 -1.06 0.20 116.57 120.31 2b3j h LYS 64 Ca 0.34 -0.07 -0.09 0.00 -1.27 0.00 0.00 60.65 59.56 2b3j h LYS 64 Cb 0.02 -0.11 -0.02 0.00 -0.41 0.00 0.00 32.23 31.71 2b3j h LYS 64 CO -0.12 0.46 0.06 -0.39 -2.27 0.00 0.00 179.45 177.20 2b3j h VAL 65 N 0.53 1.27 0.00 2.00 -1.51 -0.99 -2.78 116.25 114.76 2b3j h VAL 65 Ca 0.14 -1.10 0.00 0.00 -1.23 0.00 0.00 66.70 64.52 2b3j h VAL 65 Cb 0.06 0.69 0.00 0.00 -2.13 0.00 0.00 31.29 29.91 2b3j h VAL 65 CO -0.02 0.41 0.00 -0.07 -1.23 0.00 0.00 177.57 176.65 2b3j h LEU 66 N 1.02 0.00 1.94 4.19 3.38 -1.08 -3.47 115.31 121.30 2b3j h LEU 66 Ca 0.19 0.00 -0.38 0.00 0.09 0.00 0.00 57.88 57.78 2b3j h LEU 66 Cb 0.50 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.26 2b3j h LEU 66 CO 0.02 0.00 -0.52 0.61 0.09 0.00 0.00 178.44 178.64 2b3j n GLY 67 N 1.15 -0.42 3.35 0.83 0.00 0.69 -4.98 105.19 105.81 2b3j n GLY 67 Ca 0.05 -0.02 -0.15 0.00 0.00 0.00 0.00 46.02 45.90 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 -2.39 -0.40 0.00 1.61 0.15 -1.04 -5.03 113.70 106.61 2b3j s SER 68 Ca 0.12 0.48 0.27 0.00 0.70 0.00 0.00 55.95 57.52 2b3j s SER 68 Cb -0.05 0.54 0.96 0.00 -1.71 0.00 0.00 66.02 65.76 2b3j s SER 68 CO 0.15 -0.42 1.71 -2.67 1.20 0.00 0.00 173.24 173.20 2b3j n TRP 69 N 1.55 0.00 -3.20 3.44 4.27 -1.26 -4.48 117.44 117.76 2b3j n TRP 69 Ca -0.19 0.00 -0.43 0.00 -3.89 0.00 0.00 57.50 52.99 2b3j n TRP 69 Cb 0.56 -0.27 -0.08 0.00 -1.36 0.00 0.00 31.31 30.17 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 -2.75 3.20 -1.08 -2.67 0.52 -1.26 -4.52 118.95 110.39 2b3j s ARG 70 Ca 0.20 -0.54 -0.05 0.00 -0.52 0.00 0.00 55.73 54.81 2b3j s ARG 70 Cb 0.19 -3.96 0.08 0.00 0.52 0.00 0.00 34.95 31.78 2b3j s ARG 70 CO 0.56 -0.93 2.56 1.28 0.02 0.00 0.00 175.30 178.79 2b3j n LEU 71 N 5.96 7.61 -4.76 2.53 4.77 0.64 -4.99 117.00 128.75 2b3j n LEU 71 Ca -0.04 -4.59 -0.39 0.00 -0.03 0.00 0.00 56.01 50.95 2b3j n LEU 71 Cb 0.48 -1.34 0.02 0.00 -2.33 0.00 0.00 43.42 40.25 2b3j n LEU 71 CO 0.50 1.97 1.03 -1.61 -1.33 0.00 0.00 177.39 177.95 2b3j s GLU 72 N -1.03 3.56 0.00 3.23 2.02 -1.26 -2.57 118.70 122.65 2b3j s GLU 72 Ca 0.57 2.32 0.00 0.00 0.02 0.00 0.00 54.97 57.88 2b3j s GLU 72 Cb 0.24 -2.55 0.00 0.00 0.10 0.00 0.00 34.13 31.92 2b3j s GLU 72 CO -0.12 -0.88 0.00 0.41 0.02 0.00 0.00 175.26 174.68 2b3j n GLY 73 N 0.62 0.17 3.89 -1.39 0.00 -1.26 -4.98 105.19 102.24 2b3j n GLY 73 Ca 0.06 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.76 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 -1.59 1.61 -0.17 0.00 2.01 -0.09 -3.47 115.64 113.94 2b3j s THR 75 Ca 0.39 -0.74 -0.09 0.00 0.31 0.00 0.00 61.69 61.56 2b3j s THR 75 Cb -0.12 -1.44 -0.05 0.00 0.01 0.00 0.00 72.50 70.90 2b3j s THR 75 CO 0.23 0.46 0.12 -0.22 -0.69 0.00 0.00 174.62 174.52 2b3j s LEU 76 N 0.67 4.20 -0.14 4.42 2.96 -0.46 -0.87 118.68 129.47 2b3j s LEU 76 Ca -0.13 0.28 0.02 0.00 -0.22 0.00 0.00 54.13 54.09 2b3j s LEU 76 Cb -0.16 -2.06 0.01 0.00 0.50 0.00 0.00 46.19 44.48 2b3j s LEU 76 CO 0.03 0.25 -0.21 -0.31 -1.32 0.00 0.00 176.35 174.80 2b3j s TYR 77 N -0.08 2.58 0.00 5.38 2.02 0.13 0.50 117.35 127.88 2b3j s TYR 77 Ca 0.10 -1.31 0.00 0.00 -0.37 0.00 0.00 57.07 55.49 2b3j s TYR 77 Cb -0.11 -1.77 -0.00 0.00 -0.40 0.00 0.00 41.96 39.67 2b3j s TYR 77 CO 0.00 -0.61 -0.02 0.54 -1.57 0.00 0.00 175.55 173.89 2b3j s VAL 78 N 0.88 0.12 0.07 0.71 0.11 -0.44 0.40 120.40 122.25 2b3j s VAL 78 Ca -0.06 -0.22 0.33 0.00 -2.93 0.00 0.00 61.98 59.10 2b3j s VAL 78 Cb -0.15 -0.14 0.36 0.00 -1.53 0.00 0.00 36.38 34.92 2b3j s VAL 78 CO -0.03 -0.07 1.98 0.71 -3.33 0.00 0.00 175.10 174.37 2b3j h THR 79 N 5.02 0.00 -3.96 5.04 1.35 -1.58 -1.11 112.91 117.67 2b3j h THR 79 Ca -0.26 -0.30 -0.29 0.00 -0.55 0.00 0.00 66.41 65.00 2b3j h THR 79 Cb 1.21 1.19 -0.23 0.00 -1.73 0.00 0.00 68.15 68.59 2b3j h THR 79 CO 0.49 0.00 -0.74 -0.22 -0.25 0.00 0.00 175.52 174.80 2b3j s LEU 80 N -5.66 2.21 0.09 3.87 2.96 -1.26 -1.39 118.68 119.49 2b3j s LEU 80 Ca 0.00 -0.47 -0.36 0.00 -0.22 0.00 0.00 54.13 53.09 2b3j s LEU 80 Cb 0.10 -0.21 -0.15 0.00 0.50 0.00 0.00 46.19 46.43 2b3j s LEU 80 CO 0.45 -0.14 1.49 1.21 -1.32 0.00 0.00 176.35 178.03 2b3j n GLU 81 N 1.74 1.60 -1.76 1.98 2.13 -0.03 -4.75 120.64 121.56 2b3j n GLU 81 Ca -0.21 0.58 -0.41 0.00 0.66 0.00 0.00 57.16 57.78 2b3j n GLU 81 Cb 0.55 -2.29 -0.00 0.00 0.27 0.00 0.00 31.44 29.97 2b3j n GLU 81 CO 0.00 0.00 0.00 -2.30 -0.41 0.00 0.00 177.13 174.42 2b3j n PRO 82 N 3.24 2.63 -1.05 5.31 -0.02 -1.26 -4.74 135.00 139.11 2b3j n PRO 82 Ca 0.18 0.92 -0.19 0.00 -2.02 0.00 0.00 63.50 62.40 2b3j n PRO 82 Cb 0.23 -2.65 0.14 0.00 -0.02 0.00 0.00 33.50 31.20 2b3j n PRO 82 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2b3j h VAL 84 N -1.72 0.98 -0.07 0.00 3.04 -1.91 0.58 116.25 117.14 2b3j h VAL 84 Ca -0.27 -0.17 -0.00 0.00 -1.01 0.00 0.00 66.70 65.24 2b3j h VAL 84 Cb 0.77 0.43 -0.00 0.00 -2.01 0.00 0.00 31.29 30.47 2b3j h VAL 84 CO 0.19 0.09 0.02 -0.03 -1.01 0.00 0.00 177.57 176.83 2b3j h MET 85 N 0.51 0.10 -0.28 4.17 1.85 -1.96 -1.72 114.93 117.59 2b3j h MET 85 Ca 0.21 -0.02 -0.14 0.00 -0.61 0.00 0.00 59.70 59.14 2b3j h MET 85 Cb 0.10 -0.02 -0.01 0.00 0.43 0.00 0.00 31.60 32.11 2b3j h MET 85 CO -0.14 0.25 -0.39 0.00 -0.40 0.00 0.00 176.91 176.23 2b3j h ALA 87 N 1.02 0.49 -0.88 0.00 0.00 -0.87 0.11 119.26 119.14 2b3j h ALA 87 Ca 0.05 -0.06 -0.02 0.00 0.00 0.00 0.00 54.91 54.88 2b3j h ALA 87 Cb 0.91 -0.15 -0.04 0.00 0.00 0.00 0.00 17.79 18.50 2b3j h ALA 87 CO 0.08 -0.01 0.45 0.78 0.00 0.00 0.00 179.25 180.55 2b3j h GLY 88 N 0.50 1.33 1.41 0.00 0.00 -1.05 -1.81 103.07 103.45 2b3j h GLY 88 Ca 0.14 -0.63 -0.07 0.00 0.00 0.00 0.00 47.33 46.77 2b3j h GLY 88 CO -0.03 0.60 -0.03 -0.84 0.00 0.00 0.00 176.54 176.25 2b3j h THR 89 N 1.24 1.24 -0.70 4.70 2.02 -0.37 -0.77 112.91 120.27 2b3j h THR 89 Ca 0.31 -1.00 -0.04 0.00 0.77 0.00 0.00 66.41 66.45 2b3j h THR 89 Cb 0.07 0.93 -0.03 0.00 -1.74 0.00 0.00 68.15 67.38 2b3j h THR 89 CO -0.04 0.35 0.26 0.40 0.37 0.00 0.00 175.52 176.85 2b3j h ILE 90 N 0.67 1.24 -0.34 3.11 2.04 -0.23 -1.29 117.51 122.71 2b3j h ILE 90 Ca 0.13 -0.79 -0.10 0.00 1.00 0.00 0.00 64.86 65.11 2b3j h ILE 90 Cb 0.45 0.42 -0.01 0.00 -0.74 0.00 0.00 36.82 36.95 2b3j h ILE 90 CO 0.02 0.32 -0.16 0.58 0.00 0.00 0.00 178.15 178.90 2b3j h VAL 91 N 1.02 1.29 0.00 1.67 2.07 -0.70 -2.31 116.25 119.29 2b3j h VAL 91 Ca 0.23 -1.27 0.00 0.00 0.82 0.00 0.00 66.70 66.48 2b3j h VAL 91 Cb 0.22 1.38 0.00 0.00 -1.52 0.00 0.00 31.29 31.38 2b3j h VAL 91 CO -0.02 0.42 0.00 0.24 0.02 0.00 0.00 177.57 178.23 2b3j h MET 92 N 0.49 0.00 -0.02 1.57 2.86 -0.92 -2.66 114.93 116.26 2b3j h MET 92 Ca 0.08 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.72 2b3j h MET 92 Cb 0.70 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.36 2b3j h MET 92 CO 0.05 0.00 -0.27 -1.13 1.06 0.00 0.00 176.91 176.62 2b3j n SER 93 N -2.47 2.19 -3.75 1.22 3.41 -0.51 -4.90 113.62 108.80 2b3j n SER 93 Ca 0.03 -1.60 -0.26 0.00 -0.26 0.00 0.00 58.87 56.78 2b3j n SER 93 Cb 0.31 0.31 0.05 0.00 -0.26 0.00 0.00 64.21 64.61 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 0.38 -6.14 -2.29 4.33 1.74 -0.88 -0.26 116.66 113.55 2b3j n ARG 94 Ca 0.10 0.68 -0.42 0.00 -0.77 0.00 0.00 57.85 57.44 2b3j n ARG 94 Cb 0.46 -5.56 -0.03 0.00 -1.02 0.00 0.00 32.46 26.31 2b3j n ARG 94 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 2b3j s ILE 95 N -3.38 3.75 0.27 0.55 1.01 -1.12 -4.42 121.20 117.86 2b3j s ILE 95 Ca 0.46 1.20 0.12 0.00 0.00 0.00 0.00 60.65 62.44 2b3j s ILE 95 Cb -0.22 -3.77 0.02 0.00 0.01 0.00 0.00 42.46 38.50 2b3j s ILE 95 CO 0.79 0.04 1.67 1.55 0.00 0.00 0.00 174.94 179.00 2b3j h PRO 96 N 7.28 0.00 -3.40 2.79 0.13 -1.77 -3.42 132.00 133.61 2b3j h PRO 96 Ca -0.39 0.00 -0.20 0.00 -0.87 0.00 0.00 66.00 64.54 2b3j h PRO 96 Cb 1.19 0.00 -0.27 0.00 0.13 0.00 0.00 31.00 32.05 2b3j h PRO 96 CO 0.87 0.53 -0.57 0.50 -0.23 0.00 0.00 178.00 179.11 2b3j s ARG 97 N -3.70 0.15 -0.06 0.86 3.52 -1.23 -1.49 118.95 117.00 2b3j s ARG 97 Ca -0.01 0.20 0.04 0.00 -0.13 0.00 0.00 55.73 55.82 2b3j s ARG 97 Cb 0.13 0.06 0.00 0.00 -1.56 0.00 0.00 34.95 33.57 2b3j s ARG 97 CO 0.74 -0.03 -0.18 0.08 -0.81 0.00 0.00 175.30 175.10 2b3j s VAL 98 N 0.15 1.53 -0.16 7.11 1.01 0.45 -1.35 120.40 129.15 2b3j s VAL 98 Ca -0.01 -0.75 0.00 0.00 0.00 0.00 0.00 61.98 61.23 2b3j s VAL 98 Cb -0.02 -1.33 0.03 0.00 0.00 0.00 0.00 36.38 35.06 2b3j s VAL 98 CO -0.00 0.44 -0.11 -0.69 0.00 0.00 0.00 175.10 174.73 2b3j s VAL 99 N 0.21 1.48 0.24 2.92 1.01 0.18 -0.77 120.40 125.68 2b3j s VAL 99 Ca -0.09 -0.69 0.12 0.00 0.00 0.00 0.00 61.98 61.31 2b3j s VAL 99 Cb -0.14 -1.47 -0.05 0.00 0.00 0.00 0.00 36.38 34.72 2b3j s VAL 99 CO 0.04 0.34 -0.21 -0.72 0.00 0.00 0.00 175.10 174.54 2b3j s TYR 100 N 1.50 2.26 0.00 5.22 -0.85 -0.13 -1.33 117.35 124.03 2b3j s TYR 100 Ca 0.03 -0.35 0.00 0.00 -0.52 0.00 0.00 57.07 56.23 2b3j s TYR 100 Cb -0.14 -1.04 0.00 0.00 0.38 0.00 0.00 41.96 41.16 2b3j s TYR 100 CO -0.09 0.61 0.00 0.41 -1.52 0.00 0.00 175.55 174.95 2b3j n GLY 101 N -0.23 1.30 3.82 5.49 0.00 -0.42 -1.88 105.19 113.27 2b3j n GLY 101 Ca -0.08 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.61 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 -4.02 3.12 0.54 4.61 0.00 -0.49 -1.83 121.76 123.68 2b3j s ALA 102 Ca 0.00 0.32 -0.12 0.00 0.00 0.00 0.00 51.96 52.16 2b3j s ALA 102 Cb 0.00 -3.06 -0.06 0.00 0.00 0.00 0.00 23.12 20.00 2b3j s ALA 102 CO 0.00 0.18 0.95 -0.51 0.00 0.00 0.00 175.76 176.38 2b3j s ASP 103 N -2.17 6.42 -0.41 0.00 1.01 -1.26 -0.85 116.67 119.42 2b3j s ASP 103 Ca 0.59 1.38 0.03 0.00 0.71 0.00 0.00 52.55 55.27 2b3j s ASP 103 Cb -0.10 -2.44 0.11 0.00 1.01 0.00 0.00 42.92 41.50 2b3j s ASP 103 CO 0.15 -0.67 0.14 -0.62 0.21 0.00 0.00 175.17 174.38 2b3j s ASP 104 N -3.62 4.47 0.52 0.27 -1.08 -1.26 -4.75 116.67 111.22 2b3j s ASP 104 Ca 0.55 -2.44 0.28 0.00 -0.52 0.00 0.00 52.55 50.42 2b3j s ASP 104 Cb -0.10 -1.52 1.46 0.00 -1.46 0.00 0.00 42.92 41.29 2b3j s ASP 104 CO 0.41 -0.32 2.07 -0.65 0.52 0.00 0.00 175.17 177.20 2b3j h PRO 105 N 7.21 0.00 0.15 4.34 0.11 -1.96 0.17 132.00 142.02 2b3j h PRO 105 Ca -0.06 0.00 -0.36 0.00 0.11 0.00 0.00 66.00 65.69 2b3j h PRO 105 Cb 0.97 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.07 2b3j h PRO 105 CO 0.57 0.11 -1.87 -0.22 -0.21 0.00 0.00 178.00 176.38 2b3j h LYS 106 N 0.00 0.31 0.00 1.05 3.64 -2.00 -3.44 116.57 116.14 2b3j h LYS 106 Ca -0.00 -0.53 0.00 0.00 -1.27 0.00 0.00 60.65 58.85 2b3j h LYS 106 Cb 0.33 0.20 0.00 0.00 -0.41 0.00 0.00 32.23 32.35 2b3j h LYS 106 CO 0.01 1.24 0.00 0.41 -2.27 0.00 0.00 179.45 178.84 2b3j n GLY 107 N 1.92 0.05 3.71 5.01 0.00 -1.22 -4.99 105.19 109.65 2b3j n GLY 107 Ca -0.28 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.32 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 -0.04 1.32 -0.20 -0.02 0.00 0.59 -4.23 107.32 104.73 2b3j s GLY 108 Ca 0.00 1.49 0.13 0.00 0.00 0.00 0.00 44.72 46.34 2b3j s GLY 108 CO 0.00 2.96 1.25 0.00 0.00 0.00 0.00 173.10 177.31 2b3j n SER 110 N -1.17 2.48 0.00 0.00 7.64 -0.94 -1.03 113.62 120.59 2b3j n SER 110 Ca 0.20 -3.44 0.00 0.00 1.01 0.00 0.00 58.87 56.65 2b3j n SER 110 Cb 0.74 -0.44 0.00 0.00 -1.01 0.00 0.00 64.21 63.50 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 -0.73 2.68 0.00 0.23 0.00 0.98 -4.86 105.19 103.49 2b3j n GLY 111 Ca 0.23 -0.31 0.00 0.00 0.00 0.00 0.00 46.02 45.94 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 -1.25 -4.40 113.62 117.37 2b3j n SER 112 Ca 0.00 0.39 0.03 0.00 1.01 0.00 0.00 58.87 60.30 2b3j n SER 112 Cb 0.00 -0.31 0.07 0.00 -1.01 0.00 0.00 64.21 62.95 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 -7.32 -3.43 3.38 -1.09 -3.48 115.31 103.37 2b3j h LEU 113 Ca 0.00 0.00 0.36 0.00 0.09 0.00 0.00 57.88 58.33 2b3j h LEU 113 Cb 0.00 0.00 -0.12 0.00 0.09 0.00 0.00 40.66 40.63 2b3j h LEU 113 CO 0.00 0.49 0.92 0.00 0.09 0.00 0.00 178.44 179.94 2b3j s MET 114 N -3.03 0.22 -0.44 1.13 0.23 -1.25 -5.05 119.30 111.11 2b3j s MET 114 Ca 0.03 -0.13 0.02 0.00 -1.03 0.00 0.00 55.69 54.59 2b3j s MET 114 Cb 0.08 0.07 0.13 0.00 -1.53 0.00 0.00 34.83 33.58 2b3j s MET 114 CO 0.74 -0.10 0.24 1.21 -2.03 0.00 0.00 175.02 175.07 2b3j s ASN 115 N -3.20 3.70 0.00 -1.18 3.84 -1.25 -0.01 114.94 116.83 2b3j s ASN 115 Ca 0.18 -2.64 0.18 0.00 0.21 0.00 0.00 52.86 50.79 2b3j s ASN 115 Cb 0.05 -1.07 0.85 0.00 -0.55 0.00 0.00 41.25 40.53 2b3j s ASN 115 CO -0.04 -0.27 1.56 0.18 -2.79 0.00 0.00 177.10 175.74 2b3j n LEU 116 N 3.53 0.00 -0.30 3.21 4.77 -0.20 -2.29 117.00 125.73 2b3j n LEU 116 Ca 0.08 0.37 0.13 0.00 -0.03 0.00 0.00 56.01 56.56 2b3j n LEU 116 Cb 0.34 -0.37 0.34 0.00 -2.33 0.00 0.00 43.42 41.40 2b3j n LEU 116 CO 0.25 -0.15 0.63 0.18 -1.33 0.00 0.00 177.39 176.97 2b3j n LEU 117 N -1.37 1.19 -2.70 2.23 4.77 -1.26 -4.14 117.00 115.72 2b3j n LEU 117 Ca 0.07 -0.34 -0.17 0.00 -0.03 0.00 0.00 56.01 55.53 2b3j n LEU 117 Cb 0.17 -0.10 0.01 0.00 -2.33 0.00 0.00 43.42 41.17 2b3j n LEU 117 CO 0.15 0.22 -0.02 0.00 -1.33 0.00 0.00 177.39 176.41 2b3j n GLN 118 N -0.51 2.01 -3.43 3.23 6.02 -0.97 -1.10 117.38 122.64 2b3j n GLN 118 Ca 0.12 -3.80 -0.40 0.00 -0.01 0.00 0.00 57.00 52.91 2b3j n GLN 118 Cb 0.36 -1.70 -0.10 0.00 1.02 0.00 0.00 30.24 29.83 2b3j n GLN 118 CO 0.00 0.00 0.00 -1.14 -1.01 0.00 0.00 177.06 174.91 2b3j s GLN 119 N -3.19 3.70 0.46 -1.09 2.00 -1.25 -4.96 119.66 115.31 2b3j s GLN 119 Ca 0.37 -0.33 0.11 0.00 -2.00 0.00 0.00 55.36 53.52 2b3j s GLN 119 Cb 0.41 -3.76 1.04 0.00 0.80 0.00 0.00 33.01 31.50 2b3j s GLN 119 CO -0.06 -0.43 2.09 0.77 -0.50 0.00 0.00 175.29 177.15 2b3j h SER 120 N 8.40 0.28 0.70 6.67 0.02 -1.95 -2.31 113.55 125.36 2b3j h SER 120 Ca -0.31 -0.01 0.00 0.00 -0.84 0.00 0.00 61.79 60.64 2b3j h SER 120 Cb 1.15 -0.07 0.00 0.00 0.14 0.00 0.00 62.40 63.63 2b3j h SER 120 CO 0.66 0.20 -0.13 0.59 -1.14 0.00 0.00 176.83 177.01 2b3j n ASN 121 N -4.50 0.21 -4.90 3.07 3.02 -1.26 -4.88 115.26 106.03 2b3j n ASN 121 Ca 0.02 0.03 -0.28 0.00 -0.03 0.00 0.00 54.58 54.31 2b3j n ASN 121 Cb 0.11 -0.22 -0.02 0.00 -0.61 0.00 0.00 39.78 39.04 2b3j n ASN 121 CO 0.00 0.00 0.00 -0.36 -2.62 0.00 0.00 177.26 174.28 2b3j s PHE 122 N -2.84 3.51 -2.04 3.10 0.40 -0.87 -4.97 117.98 114.27 2b3j s PHE 122 Ca 0.18 0.83 0.11 0.00 -0.60 0.00 0.00 56.93 57.45 2b3j s PHE 122 Cb 0.19 -2.29 0.51 0.00 0.51 0.00 0.00 43.02 41.94 2b3j s PHE 122 CO 0.55 -0.11 1.35 0.27 0.70 0.00 0.00 175.22 177.98 2b3j n ASN 123 N -1.66 0.60 -3.66 1.36 6.94 -1.26 -4.80 115.26 112.78 2b3j n ASN 123 Ca 0.00 -1.78 -0.13 0.00 -0.02 0.00 0.00 54.58 52.66 2b3j n ASN 123 Cb 0.55 -0.06 -0.08 0.00 -2.36 0.00 0.00 39.78 37.83 2b3j n ASN 123 CO 0.00 0.00 0.00 -2.28 -1.03 0.00 0.00 177.26 173.95 2b3j s HIS 124 N -1.88 -0.72 0.04 -2.53 5.04 -1.26 -5.14 115.29 108.83 2b3j s HIS 124 Ca 0.18 1.69 0.02 0.00 -1.54 0.00 0.00 55.06 55.42 2b3j s HIS 124 Cb 0.09 0.29 -0.02 0.00 0.04 0.00 0.00 32.58 32.97 2b3j s HIS 124 CO 0.14 -0.35 -0.08 1.03 -2.34 0.00 0.00 174.74 173.13 2b3j s ARG 125 N 0.56 0.55 0.17 2.88 0.52 -1.26 -4.70 118.95 117.68 2b3j s ARG 125 Ca -0.02 -0.74 0.07 0.00 -0.52 0.00 0.00 55.73 54.52 2b3j s ARG 125 Cb -0.05 -0.36 -0.04 0.00 0.52 0.00 0.00 34.95 35.02 2b3j s ARG 125 CO -0.03 0.07 -0.14 0.00 0.02 0.00 0.00 175.30 175.22 2b3j s ALA 126 N -1.29 1.81 0.14 2.13 0.00 -0.26 -4.87 121.76 119.43 2b3j s ALA 126 Ca -0.08 -1.54 -0.30 0.00 0.00 0.00 0.00 51.96 50.04 2b3j s ALA 126 Cb -0.09 -0.07 -0.07 0.00 0.00 0.00 0.00 23.12 22.88 2b3j s ALA 126 CO 0.01 0.07 1.09 0.42 0.00 0.00 0.00 175.76 177.34 2b3j s ILE 127 N -2.75 4.05 -0.17 0.00 -1.09 -0.56 -4.71 121.20 115.96 2b3j s ILE 127 Ca 0.18 1.68 0.01 0.00 -2.23 0.00 0.00 60.65 60.28 2b3j s ILE 127 Cb -0.02 -4.07 0.03 0.00 -1.58 0.00 0.00 42.46 36.82 2b3j s ILE 127 CO 0.05 0.25 -0.14 -0.69 -1.23 0.00 0.00 174.94 173.17 2b3j s VAL 128 N 0.10 1.70 -0.07 2.92 1.01 -1.26 -0.41 120.40 124.39 2b3j s VAL 128 Ca 0.51 -0.81 0.04 0.00 0.00 0.00 0.00 61.98 61.72 2b3j s VAL 128 Cb -0.28 -1.63 -0.02 0.00 0.00 0.00 0.00 36.38 34.45 2b3j s VAL 128 CO 0.33 0.39 -0.18 -1.81 0.00 0.00 0.00 175.10 173.83 2b3j s ASP 129 N 1.42 3.68 0.35 3.32 1.01 0.05 -5.01 116.67 121.50 2b3j s ASP 129 Ca 0.03 -0.34 0.05 0.00 0.71 0.00 0.00 52.55 53.00 2b3j s ASP 129 Cb -0.14 -1.04 -0.07 0.00 1.01 0.00 0.00 42.92 42.68 2b3j s ASP 129 CO -0.10 0.26 0.03 -1.59 0.21 0.00 0.00 175.17 173.98 2b3j s LYS 130 N -0.25 1.76 0.00 8.23 -2.85 -1.26 -0.95 119.74 124.42 2b3j s LYS 130 Ca 0.00 -1.98 0.00 0.00 -1.00 0.00 0.00 55.97 52.99 2b3j s LYS 130 Cb -0.13 -1.17 0.00 0.00 -2.06 0.00 0.00 37.83 34.47 2b3j s LYS 130 CO 0.03 -0.12 0.00 0.41 0.10 0.00 0.00 175.35 175.77 2b3j n GLY 131 N -0.78 1.45 3.65 0.59 0.00 -0.76 -4.92 105.19 104.41 2b3j n GLY 131 Ca -0.03 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.56 2b3j n GLY 131 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2b3j s VAL 132 N -2.45 3.20 -1.40 1.61 1.01 -1.21 -1.48 120.40 119.67 2b3j s VAL 132 Ca 0.00 0.24 -0.08 0.00 0.00 0.00 0.00 61.98 62.14 2b3j s VAL 132 Cb 0.00 -3.18 0.05 0.00 0.00 0.00 0.00 36.38 33.25 2b3j s VAL 132 CO 0.00 -0.05 0.59 0.18 0.00 0.00 0.00 175.10 175.82 2b3j n LEU 133 N 8.29 -2.07 -0.25 3.92 4.77 -1.26 -4.19 117.00 126.21 2b3j n LEU 133 Ca 0.21 -0.39 -0.01 0.00 -0.03 0.00 0.00 56.01 55.79 2b3j n LEU 133 Cb 0.43 -2.48 0.05 0.00 -2.33 0.00 0.00 43.42 39.09 2b3j n LEU 133 CO 0.66 0.22 0.67 0.50 -1.33 0.00 0.00 177.39 178.11 2b3j h LYS 134 N -1.25 -0.06 0.01 3.23 3.64 -1.50 -1.65 116.57 119.00 2b3j h LYS 134 Ca -0.48 0.00 0.02 0.00 -1.27 0.00 0.00 60.65 58.92 2b3j h LYS 134 Cb 1.32 0.01 -0.03 0.00 -0.41 0.00 0.00 32.23 33.13 2b3j h LYS 134 CO 0.56 -0.04 -0.15 0.93 -2.27 0.00 0.00 179.45 178.48 2b3j h GLU 135 N -0.06 -0.24 -0.88 1.90 3.07 -1.89 -0.24 114.58 116.24 2b3j h GLU 135 Ca 0.31 0.02 -0.02 0.00 -0.50 0.00 0.00 59.36 59.17 2b3j h GLU 135 Cb 0.55 0.06 -0.04 0.00 -0.84 0.00 0.00 28.75 28.48 2b3j h GLU 135 CO -0.75 -0.16 0.47 0.00 -1.40 0.00 0.00 179.01 177.16 2b3j h ALA 136 N 0.68 1.17 -0.43 3.43 0.00 -1.83 -0.59 119.26 121.69 2b3j h ALA 136 Ca 0.05 -0.14 -0.06 0.00 0.00 0.00 0.00 54.91 54.76 2b3j h ALA 136 Cb 0.31 -0.35 -0.02 0.00 0.00 0.00 0.00 17.79 17.73 2b3j h ALA 136 CO -0.13 0.66 0.04 0.00 0.00 0.00 0.00 179.25 179.81 2b3j h SER 138 N 0.58 0.34 -0.50 0.00 0.87 -0.79 -3.23 113.55 110.81 2b3j h SER 138 Ca 0.13 -0.32 0.09 0.00 -1.23 0.00 0.00 61.79 60.46 2b3j h SER 138 Cb 0.42 -0.09 -0.08 0.00 -0.44 0.00 0.00 62.40 62.22 2b3j h SER 138 CO 0.01 0.57 0.04 0.74 -0.53 0.00 0.00 176.83 177.67 2b3j h THR 139 N 0.09 0.66 -0.71 2.23 2.02 -1.11 -1.16 112.91 114.92 2b3j h THR 139 Ca 0.05 -0.06 0.16 0.00 0.77 0.00 0.00 66.41 67.33 2b3j h THR 139 Cb 0.40 0.48 -0.12 0.00 -1.74 0.00 0.00 68.15 67.17 2b3j h THR 139 CO 0.01 0.03 0.01 -0.07 0.37 0.00 0.00 175.52 175.87 2b3j h LEU 140 N 0.16 -0.32 -0.03 2.58 3.38 -1.55 0.20 115.31 119.74 2b3j h LEU 140 Ca 0.25 0.18 -0.00 0.00 0.09 0.00 0.00 57.88 58.40 2b3j h LEU 140 Cb 0.36 0.32 -0.00 0.00 0.09 0.00 0.00 40.66 41.43 2b3j h LEU 140 CO -0.38 -0.16 0.00 -0.07 0.09 0.00 0.00 178.44 177.93 2b3j h LEU 141 N 0.11 0.05 -0.67 1.67 3.38 -1.35 -0.47 115.31 118.02 2b3j h LEU 141 Ca 0.38 -0.31 0.08 0.00 0.09 0.00 0.00 57.88 58.13 2b3j h LEU 141 Cb 0.66 -0.01 -0.07 0.00 0.09 0.00 0.00 40.66 41.33 2b3j h LEU 141 CO -0.62 0.34 0.33 0.00 0.09 0.00 0.00 178.44 178.58 2b3j h THR 142 N -0.25 0.86 -0.18 0.22 1.03 -0.46 -0.89 112.91 113.24 2b3j h THR 142 Ca 0.01 -0.20 -0.03 0.00 -0.01 0.00 0.00 66.41 66.18 2b3j h THR 142 Cb 0.32 0.24 -0.01 0.00 -1.07 0.00 0.00 68.15 67.63 2b3j h THR 142 CO 0.00 0.11 -0.00 0.74 -0.01 0.00 0.00 175.52 176.35 2b3j h THR 143 N 0.58 1.26 -0.06 0.00 2.02 -0.56 -2.10 112.91 114.05 2b3j h THR 143 Ca 0.32 -0.86 0.04 0.00 0.77 0.00 0.00 66.41 66.68 2b3j h THR 143 Cb 0.32 1.47 -0.05 0.00 -1.74 0.00 0.00 68.15 68.15 2b3j h THR 143 CO -0.25 0.26 -0.25 0.15 0.37 0.00 0.00 175.52 175.80 2b3j h PHE 144 N 0.07 -0.67 0.00 3.16 3.57 -0.45 -1.42 116.94 121.20 2b3j h PHE 144 Ca 0.05 0.03 -0.03 0.00 3.53 0.00 0.00 57.97 61.54 2b3j h PHE 144 Cb 0.39 0.30 -0.00 0.00 2.79 0.00 0.00 35.95 39.43 2b3j h PHE 144 CO 0.04 -0.34 -0.16 0.74 -2.23 0.00 0.00 178.31 176.36 2b3j h PHE 145 N -0.36 0.00 -0.06 0.41 0.04 -1.21 0.12 116.94 115.88 2b3j h PHE 145 Ca 0.08 0.00 -0.06 0.00 2.80 0.00 0.00 57.97 60.79 2b3j h PHE 145 Cb 0.47 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.62 2b3j h PHE 145 CO -0.31 0.16 -0.18 0.87 -0.60 0.00 0.00 178.31 178.25 2b3j h LYS 146 N 0.00 0.23 -0.33 1.51 6.56 -0.94 -2.37 116.57 121.23 2b3j h LYS 146 Ca -0.00 -0.17 -0.11 0.00 -1.06 0.00 0.00 60.65 59.32 2b3j h LYS 146 Cb 0.65 0.03 -0.01 0.00 -0.57 0.00 0.00 32.23 32.32 2b3j h LYS 146 CO 0.02 0.79 -0.24 -0.91 -2.06 0.00 0.00 179.45 177.05 2b3j h ASN 147 N -0.29 0.65 -0.37 0.86 2.35 -1.12 -1.74 115.58 115.92 2b3j h ASN 147 Ca -0.01 -0.23 0.00 0.00 -0.55 0.00 0.00 56.30 55.52 2b3j h ASN 147 Cb 0.80 -0.18 -0.02 0.00 0.05 0.00 0.00 38.32 38.97 2b3j h ASN 147 CO 0.04 0.87 0.25 0.25 -1.65 0.00 0.00 177.43 177.19 2b3j h LEU 148 N 0.56 0.43 -0.35 1.61 6.46 -0.76 0.73 115.31 123.99 2b3j h LEU 148 Ca 0.08 -0.01 -0.06 0.00 -0.12 0.00 0.00 57.88 57.77 2b3j h LEU 148 Cb 0.71 -0.11 -0.01 0.00 -0.73 0.00 0.00 40.66 40.52 2b3j h LEU 148 CO 0.05 0.31 -0.01 0.03 -0.62 0.00 0.00 178.44 178.20 2b3j h ARG 149 N 0.50 0.63 -0.61 1.25 3.08 -1.28 -2.54 114.38 115.42 2b3j h ARG 149 Ca 0.14 -0.21 -0.04 0.00 0.07 0.00 0.00 59.98 59.94 2b3j h ARG 149 Cb -0.06 -0.05 -0.03 0.00 0.08 0.00 0.00 29.97 29.91 2b3j h ARG 149 CO -0.03 0.75 0.22 0.00 -1.07 0.00 0.00 179.97 179.84 2b3j h ALA 150 N 0.86 1.24 0.00 0.04 0.00 -1.03 -3.52 119.26 116.85 2b3j h ALA 150 Ca 0.10 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.83 2b3j h ALA 150 Cb 0.47 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 18.02 2b3j h ALA 150 CO 0.02 0.55 0.00 -1.71 0.00 0.00 0.00 179.25 178.11