#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2aw2 s ASP 35 N 0.00 3.08 0.30 0.00 -1.08 -1.26 -4.86 116.67 112.85 2aw2 s ASP 35 Ca 0.00 -0.55 -0.28 0.00 -0.52 0.00 0.00 52.55 51.20 2aw2 s ASP 35 Cb 0.00 -1.27 -0.09 0.00 -1.46 0.00 0.00 42.92 40.10 2aw2 s ASP 35 CO 0.00 0.18 1.04 -0.69 0.52 0.00 0.00 175.17 176.22 2aw2 s VAL 36 N 0.22 3.74 -0.09 1.11 1.01 -1.26 -4.71 120.40 120.41 2aw2 s VAL 36 Ca -0.15 1.64 -0.32 0.00 0.00 0.00 0.00 61.98 63.15 2aw2 s VAL 36 Cb -0.17 -4.00 0.12 0.00 0.00 0.00 0.00 36.38 32.33 2aw2 s VAL 36 CO 0.08 0.31 1.06 -1.58 0.00 0.00 0.00 175.10 174.96 2aw2 s GLN 37 N -1.64 0.56 -0.04 2.72 2.00 -1.05 -5.03 119.66 117.18 2aw2 s GLN 37 Ca 0.47 -0.21 0.06 0.00 -2.00 0.00 0.00 55.36 53.68 2aw2 s GLN 37 Cb -0.27 0.25 -0.02 0.00 0.80 0.00 0.00 33.01 33.77 2aw2 s GLN 37 CO 0.35 -0.25 -0.23 -0.51 -0.50 0.00 0.00 175.29 174.15 2aw2 s LEU 38 N -2.35 2.19 -0.54 3.68 1.43 -1.26 -1.70 118.68 120.13 2aw2 s LEU 38 Ca 0.08 -0.43 0.04 0.00 -1.03 0.00 0.00 54.13 52.78 2aw2 s LEU 38 Cb -0.01 -1.39 0.39 0.00 0.03 0.00 0.00 46.19 45.21 2aw2 s LEU 38 CO -0.06 0.30 1.18 -1.22 0.23 0.00 0.00 176.35 176.78 2aw2 n TYR 39 N 2.60 3.52 -3.20 0.29 4.02 -0.45 -4.88 117.16 119.06 2aw2 n TYR 39 Ca -0.17 -3.25 -0.39 0.00 -0.01 0.00 0.00 57.90 54.09 2aw2 n TYR 39 Cb 0.52 -0.33 -0.05 0.00 -0.02 0.00 0.00 39.34 39.45 2aw2 n TYR 39 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 176.86 176.27 2aw2 s ILE 40 N -5.18 5.00 0.41 -0.72 1.01 -1.26 -4.62 121.20 115.83 2aw2 s ILE 40 Ca 0.48 1.22 -0.22 0.00 0.00 0.00 0.00 60.65 62.13 2aw2 s ILE 40 Cb 0.36 -3.93 -0.11 0.00 0.01 0.00 0.00 42.46 38.80 2aw2 s ILE 40 CO -0.20 0.37 0.95 -0.75 0.00 0.00 0.00 174.94 175.31 2aw2 s LYS 41 N 0.16 4.31 0.25 2.79 2.20 -1.26 -4.41 119.74 123.78 2aw2 s LYS 41 Ca 0.31 1.17 -0.31 0.00 -0.36 0.00 0.00 55.97 56.78 2aw2 s LYS 41 Cb -0.17 -2.32 -0.12 0.00 -1.51 0.00 0.00 37.83 33.71 2aw2 s LYS 41 CO 0.16 0.04 1.60 -2.13 -0.36 0.00 0.00 175.35 174.65 2aw2 n ARG 42 N -0.38 2.55 -3.10 4.03 0.63 -1.26 -2.00 116.66 117.14 2aw2 n ARG 42 Ca 0.06 0.91 -0.21 0.00 -0.92 0.00 0.00 57.85 57.69 2aw2 n ARG 42 Cb 0.53 -2.69 0.04 0.00 0.45 0.00 0.00 32.46 30.79 2aw2 n ARG 42 CO 0.00 0.00 0.00 1.04 -2.51 0.00 0.00 177.63 176.16 2aw2 n GLN 43 N 2.74 -5.28 -1.85 -0.14 6.02 -1.26 -4.97 117.38 112.64 2aw2 n GLN 43 Ca 0.12 0.84 -0.41 0.00 -0.01 0.00 0.00 57.00 57.54 2aw2 n GLN 43 Cb 0.34 -5.62 -0.00 0.00 1.02 0.00 0.00 30.24 25.98 2aw2 n GLN 43 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 177.06 176.50 2aw2 s SER 44 N -2.86 6.39 -0.04 1.08 0.15 -0.85 -4.97 113.70 112.61 2aw2 s SER 44 Ca 0.35 3.00 -0.15 0.00 0.70 0.00 0.00 55.95 59.84 2aw2 s SER 44 Cb -0.15 -2.67 0.03 0.00 -1.71 0.00 0.00 66.02 61.52 2aw2 s SER 44 CO 0.43 -0.83 0.34 -1.83 1.20 0.00 0.00 173.24 172.54 2aw2 s GLU 45 N -2.07 0.64 -0.03 5.44 -1.05 -1.26 -1.98 118.70 118.40 2aw2 s GLU 45 Ca 0.52 -0.02 0.02 0.00 -0.15 0.00 0.00 54.97 55.34 2aw2 s GLU 45 Cb -0.45 0.29 0.01 0.00 -0.44 0.00 0.00 34.13 33.53 2aw2 s GLU 45 CO 0.62 -0.16 -0.06 -1.01 0.95 0.00 0.00 175.26 175.60 2aw2 s HIS 46 N -1.01 0.68 -0.18 4.83 3.76 -0.45 -4.93 115.29 118.00 2aw2 s HIS 46 Ca -0.11 -0.16 -0.05 0.00 -0.15 0.00 0.00 55.06 54.60 2aw2 s HIS 46 Cb -0.04 -0.54 -0.03 0.00 1.11 0.00 0.00 32.58 33.08 2aw2 s HIS 46 CO 0.04 -0.10 -0.01 -1.12 -0.85 0.00 0.00 174.74 172.69 2aw2 s SER 47 N 0.40 4.88 0.18 1.40 0.01 -1.26 -1.20 113.70 118.11 2aw2 s SER 47 Ca -0.05 -0.15 -0.02 0.00 1.31 0.00 0.00 55.95 57.04 2aw2 s SER 47 Cb -0.09 -1.82 -0.04 0.00 0.21 0.00 0.00 66.02 64.28 2aw2 s SER 47 CO 0.00 0.11 0.13 0.27 0.41 0.00 0.00 173.24 174.16 2aw2 s ILE 48 N 0.70 0.03 -0.12 1.44 -4.36 -0.60 -4.99 121.20 113.30 2aw2 s ILE 48 Ca -0.01 -1.95 -0.05 0.00 -0.26 0.00 0.00 60.65 58.39 2aw2 s ILE 48 Cb -0.14 -2.37 -0.04 0.00 1.25 0.00 0.00 42.46 41.16 2aw2 s ILE 48 CO 0.02 -0.12 0.05 -0.76 0.24 0.00 0.00 174.94 174.37 2aw2 s LEU 49 N -3.13 3.82 0.31 0.37 1.43 -1.26 -1.94 118.68 118.27 2aw2 s LEU 49 Ca 0.35 0.19 -0.29 0.00 -1.03 0.00 0.00 54.13 53.34 2aw2 s LEU 49 Cb 0.07 -1.91 -0.10 0.00 0.03 0.00 0.00 46.19 44.27 2aw2 s LEU 49 CO 0.09 0.32 1.43 0.00 0.23 0.00 0.00 176.35 178.42 2aw2 s ALA 50 N -0.52 3.59 0.00 4.21 0.00 -0.65 -3.17 121.76 125.21 2aw2 s ALA 50 Ca 0.10 1.39 0.00 0.00 0.00 0.00 0.00 51.96 53.45 2aw2 s ALA 50 Cb -0.12 -3.56 0.00 0.00 0.00 0.00 0.00 23.12 19.44 2aw2 s ALA 50 CO 0.02 -0.81 0.00 0.41 0.00 0.00 0.00 175.76 175.38 2aw2 n GLY 51 N 1.40 3.11 3.92 0.00 0.00 -0.51 -4.73 105.19 108.36 2aw2 n GLY 51 Ca 0.04 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.76 2aw2 n GLY 51 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2aw2 s ASP 52 N -1.12 6.41 0.73 1.61 1.01 -1.19 -4.76 116.67 119.36 2aw2 s ASP 52 Ca 0.00 0.43 -0.11 0.00 0.71 0.00 0.00 52.55 53.58 2aw2 s ASP 52 Cb 0.00 -2.02 0.03 0.00 1.01 0.00 0.00 42.92 41.94 2aw2 s ASP 52 CO 0.00 0.03 1.08 -2.16 0.21 0.00 0.00 175.17 174.33 2aw2 s PRO 53 N -2.98 2.56 -0.11 8.23 0.04 -1.26 -2.06 135.00 139.42 2aw2 s PRO 53 Ca 0.39 1.11 -0.30 0.00 0.04 0.00 0.00 61.00 62.23 2aw2 s PRO 53 Cb -0.12 -1.94 0.10 0.00 0.04 0.00 0.00 34.50 32.58 2aw2 s PRO 53 CO 0.27 -1.41 0.83 0.12 0.04 0.00 0.00 177.00 176.86 2aw2 s PHE 54 N -2.91 -0.53 0.03 0.56 5.36 -0.60 -4.87 117.98 115.01 2aw2 s PHE 54 Ca 0.60 0.94 0.02 0.00 -0.96 0.00 0.00 56.93 57.54 2aw2 s PHE 54 Cb -0.16 0.42 -0.02 0.00 -0.34 0.00 0.00 43.02 42.92 2aw2 s PHE 54 CO 0.54 -0.48 -0.07 -1.83 -1.46 0.00 0.00 175.22 171.92 2aw2 s GLU 55 N -1.06 0.52 -0.15 10.12 -1.05 -1.26 -0.05 118.70 125.77 2aw2 s GLU 55 Ca -0.06 -0.58 -0.03 0.00 -0.15 0.00 0.00 54.97 54.15 2aw2 s GLU 55 Cb -0.00 -0.37 -0.03 0.00 -0.44 0.00 0.00 34.13 33.29 2aw2 s GLU 55 CO 0.06 0.08 -0.06 -0.51 0.95 0.00 0.00 175.26 175.78 2aw2 s LEU 56 N -1.10 3.14 -0.29 1.83 1.43 -0.59 -4.95 118.68 118.15 2aw2 s LEU 56 Ca -0.06 -0.16 -0.01 0.00 -1.03 0.00 0.00 54.13 52.88 2aw2 s LEU 56 Cb -0.07 -1.74 0.05 0.00 0.03 0.00 0.00 46.19 44.45 2aw2 s LEU 56 CO 0.00 0.18 -0.03 -1.61 0.23 0.00 0.00 176.35 175.13 2aw2 s GLU 57 N 0.28 2.46 -0.51 1.70 2.02 -1.26 -0.54 118.70 122.85 2aw2 s GLU 57 Ca -0.05 -1.24 -0.23 0.00 0.02 0.00 0.00 54.97 53.48 2aw2 s GLU 57 Cb -0.14 -3.11 0.04 0.00 0.10 0.00 0.00 34.13 31.02 2aw2 s GLU 57 CO 0.03 -0.58 0.84 0.00 0.02 0.00 0.00 175.26 175.57 2aw2 s PRO 59 N 3.51 4.36 -0.18 0.00 0.02 -1.26 -1.87 135.00 139.57 2aw2 s PRO 59 Ca 0.28 1.73 -0.01 0.00 0.02 0.00 0.00 61.00 63.02 2aw2 s PRO 59 Cb -0.13 -3.52 0.00 0.00 0.02 0.00 0.00 34.50 30.87 2aw2 s PRO 59 CO 0.19 -0.43 -0.14 0.08 -0.33 0.00 0.00 177.00 176.38 2aw2 s VAL 60 N 2.04 2.65 -0.20 3.83 1.01 0.11 -1.34 120.40 128.50 2aw2 s VAL 60 Ca 0.57 -0.75 -0.10 0.00 0.00 0.00 0.00 61.98 61.70 2aw2 s VAL 60 Cb -0.26 -2.14 -0.05 0.00 0.00 0.00 0.00 36.38 33.92 2aw2 s VAL 60 CO 0.24 0.50 0.15 -0.75 0.00 0.00 0.00 175.10 175.24 2aw2 s LYS 61 N 1.12 4.19 0.29 2.72 2.20 -0.69 -2.15 119.74 127.43 2aw2 s LYS 61 Ca 0.01 -0.18 -0.19 0.00 -0.36 0.00 0.00 55.97 55.24 2aw2 s LYS 61 Cb -0.14 -3.43 0.02 0.00 -1.51 0.00 0.00 37.83 32.77 2aw2 s LYS 61 CO -0.05 0.28 0.70 1.52 -0.36 0.00 0.00 175.35 177.44 2aw2 s TYR 62 N 0.41 -0.06 0.08 4.03 1.13 -1.26 -2.53 117.35 119.14 2aw2 s TYR 62 Ca 0.09 -0.41 0.00 0.00 -1.41 0.00 0.00 57.07 55.34 2aw2 s TYR 62 Cb -0.11 0.65 0.00 0.00 -1.10 0.00 0.00 41.96 41.40 2aw2 s TYR 62 CO -0.01 -1.25 0.00 0.00 -2.51 0.00 0.00 175.55 171.78 2aw2 n ALA 64 N -2.88 -0.21 -2.69 0.00 0.00 -1.26 -4.84 120.51 108.63 2aw2 n ALA 64 Ca 0.00 0.00 -0.19 0.00 0.00 0.00 0.00 53.44 53.25 2aw2 n ALA 64 Cb 0.00 0.10 -0.13 0.00 0.00 0.00 0.00 19.45 19.43 2aw2 n ALA 64 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.50 176.70 2aw2 s ASN 65 N -2.26 1.53 -0.14 0.00 0.02 -1.26 -5.11 114.94 107.71 2aw2 s ASN 65 Ca 0.00 -0.49 -0.29 0.00 -1.02 0.00 0.00 52.86 51.05 2aw2 s ASN 65 Cb 0.00 -0.07 -0.02 0.00 0.02 0.00 0.00 41.25 41.17 2aw2 s ASN 65 CO 0.00 -0.02 1.34 -0.60 0.02 0.00 0.00 177.10 177.84 2aw2 s ARG 66 N -1.31 4.22 0.78 -0.60 3.52 -1.26 -4.98 118.95 119.32 2aw2 s ARG 66 Ca -0.01 1.77 -0.11 0.00 -0.13 0.00 0.00 55.73 57.25 2aw2 s ARG 66 Cb -0.08 -3.81 0.06 0.00 -1.56 0.00 0.00 34.95 29.56 2aw2 s ARG 66 CO 0.01 -0.74 1.09 -1.25 -0.81 0.00 0.00 175.30 173.60 2aw2 s PRO 67 N 3.62 2.19 -0.07 5.12 0.04 -1.26 -5.00 135.00 139.64 2aw2 s PRO 67 Ca 0.59 0.74 -0.30 0.00 0.04 0.00 0.00 61.00 62.07 2aw2 s PRO 67 Cb -0.24 -1.92 -0.03 0.00 0.04 0.00 0.00 34.50 32.35 2aw2 s PRO 67 CO 0.18 -1.57 1.14 -1.58 0.04 0.00 0.00 177.00 175.21 2aw2 s HIS 68 N -3.11 3.28 -0.04 0.56 2.46 -0.87 -4.89 115.29 112.70 2aw2 s HIS 68 Ca 0.60 1.32 0.04 0.00 0.47 0.00 0.00 55.06 57.50 2aw2 s HIS 68 Cb -0.15 -3.35 -0.00 0.00 -0.13 0.00 0.00 32.58 28.94 2aw2 s HIS 68 CO 0.55 -1.00 -0.17 0.08 -2.47 0.00 0.00 174.74 171.73 2aw2 s VAL 69 N 2.16 1.41 0.07 0.89 1.01 -1.26 -0.11 120.40 124.57 2aw2 s VAL 69 Ca 0.54 -0.71 0.02 0.00 0.00 0.00 0.00 61.98 61.83 2aw2 s VAL 69 Cb -0.23 -1.20 -0.03 0.00 0.00 0.00 0.00 36.38 34.92 2aw2 s VAL 69 CO 0.21 0.40 -0.08 0.42 0.00 0.00 0.00 175.10 176.05 2aw2 s THR 70 N -0.02 0.67 0.12 3.92 -4.23 -0.76 -5.00 115.64 110.34 2aw2 s THR 70 Ca -0.02 -1.42 0.04 0.00 -1.18 0.00 0.00 61.69 59.11 2aw2 s THR 70 Cb -0.11 -1.05 -0.04 0.00 1.34 0.00 0.00 72.50 72.65 2aw2 s THR 70 CO 0.02 -0.54 0.12 0.26 -0.54 0.00 0.00 174.62 173.93 2aw2 s TRP 71 N -2.17 3.19 -0.05 3.99 0.52 -1.26 -1.56 118.94 121.61 2aw2 s TRP 71 Ca -0.01 0.04 -0.18 0.00 0.02 0.00 0.00 56.10 55.97 2aw2 s TRP 71 Cb -0.05 -1.58 0.04 0.00 -1.15 0.00 0.00 33.47 30.73 2aw2 s TRP 71 CO -0.01 0.52 0.41 0.00 0.02 0.00 0.00 176.95 177.89 2aw2 s LYS 73 N -1.02 4.19 0.35 0.00 2.20 -0.30 -1.34 119.74 123.83 2aw2 s LYS 73 Ca -0.11 0.16 -0.26 0.00 -0.36 0.00 0.00 55.97 55.41 2aw2 s LYS 73 Cb -0.04 -3.51 -0.09 0.00 -1.51 0.00 0.00 37.83 32.68 2aw2 s LYS 73 CO 0.05 0.04 1.04 -0.51 -0.36 0.00 0.00 175.35 175.60 2aw2 s LEU 74 N 1.08 4.29 -0.06 5.43 1.43 0.09 -2.24 118.68 128.70 2aw2 s LEU 74 Ca 0.18 2.05 0.08 0.00 -1.03 0.00 0.00 54.13 55.41 2aw2 s LEU 74 Cb -0.14 -4.01 0.13 0.00 0.03 0.00 0.00 46.19 42.20 2aw2 s LEU 74 CO 0.07 -0.31 1.06 -0.46 0.23 0.00 0.00 176.35 176.94 2aw2 n ASN 75 N 0.38 2.13 0.00 2.29 0.23 -1.11 -4.64 115.26 114.54 2aw2 n ASN 75 Ca 0.03 -2.47 0.00 0.00 -0.53 0.00 0.00 54.58 51.60 2aw2 n ASN 75 Cb 0.49 -0.19 0.00 0.00 -2.08 0.00 0.00 39.78 37.99 2aw2 n ASN 75 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 2aw2 n GLY 76 N -0.91 2.53 0.07 4.83 0.00 -1.26 -4.67 105.19 105.78 2aw2 n GLY 76 Ca 0.07 -0.54 -0.13 0.00 0.00 0.00 0.00 46.02 45.42 2aw2 n GLY 76 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 2aw2 h THR 77 N 0.00 1.53 -3.13 2.61 2.02 -2.01 -3.48 112.91 110.44 2aw2 h THR 77 Ca 0.00 -1.86 -0.13 0.00 0.77 0.00 0.00 66.41 65.20 2aw2 h THR 77 Cb 0.00 2.75 -0.21 0.00 -1.74 0.00 0.00 68.15 68.95 2aw2 h THR 77 CO 0.00 0.46 -0.33 0.42 0.37 0.00 0.00 175.52 176.45 2aw2 s THR 78 N -2.85 0.06 -0.10 3.16 -4.23 -1.26 -5.15 115.64 105.27 2aw2 s THR 78 Ca -0.17 -0.48 -0.19 0.00 -1.18 0.00 0.00 61.69 59.67 2aw2 s THR 78 Cb -0.01 -0.56 -0.04 0.00 1.34 0.00 0.00 72.50 73.23 2aw2 s THR 78 CO 0.64 -0.26 0.53 0.00 -0.54 0.00 0.00 174.62 174.99 2aw2 s VAL 80 N 0.59 3.05 0.79 0.00 0.11 -0.95 -4.92 120.40 119.07 2aw2 s VAL 80 Ca 0.29 -0.63 -0.11 0.00 -2.93 0.00 0.00 61.98 58.60 2aw2 s VAL 80 Cb -0.16 -2.32 0.07 0.00 -1.53 0.00 0.00 36.38 32.44 2aw2 s VAL 80 CO 0.12 0.49 1.11 -0.54 -3.33 0.00 0.00 175.10 172.95 2aw2 s LYS 81 N 0.85 2.06 -0.32 1.54 1.02 -1.26 -1.15 119.74 122.48 2aw2 s LYS 81 Ca -0.03 1.28 -0.06 0.00 0.02 0.00 0.00 55.97 57.17 2aw2 s LYS 81 Cb -0.15 -1.87 0.03 0.00 -0.52 0.00 0.00 37.83 35.32 2aw2 s LYS 81 CO 0.00 -1.81 0.08 -0.51 -0.92 0.00 0.00 175.35 172.20 2aw2 s LEU 82 N -5.95 4.11 -0.00 3.17 1.43 -1.12 -4.81 118.68 115.52 2aw2 s LEU 82 Ca 0.63 -1.02 0.06 0.00 -1.03 0.00 0.00 54.13 52.77 2aw2 s LEU 82 Cb -0.19 -1.85 -0.08 0.00 0.03 0.00 0.00 46.19 44.10 2aw2 s LEU 82 CO 0.55 -0.28 0.23 -0.62 0.23 0.00 0.00 176.35 176.46 2aw2 n GLU 83 N 4.81 3.64 -0.02 1.70 1.02 -1.26 -4.66 120.64 125.86 2aw2 n GLU 83 Ca -0.13 -0.02 -0.16 0.00 -0.02 0.00 0.00 57.16 56.83 2aw2 n GLU 83 Cb 0.46 -0.89 -0.09 0.00 -0.02 0.00 0.00 31.44 30.89 2aw2 n GLU 83 CO 0.00 0.00 0.00 -0.44 1.18 0.00 0.00 177.13 177.87 2aw2 h ASP 84 N 0.00 0.61 -3.57 1.62 5.19 -2.03 -3.44 116.42 114.79 2aw2 h ASP 84 Ca 0.00 -0.66 -0.51 0.00 -0.62 0.00 0.00 57.03 55.24 2aw2 h ASP 84 Cb 0.19 -0.18 -0.02 0.00 0.18 0.00 0.00 39.33 39.50 2aw2 h ASP 84 CO 0.00 1.17 0.01 -0.13 -3.12 0.00 0.00 179.24 177.17 2aw2 s ARG 85 N -3.60 3.85 0.07 3.56 3.00 -1.26 -5.08 118.95 119.49 2aw2 s ARG 85 Ca -0.13 0.43 -0.06 0.00 0.00 0.00 0.00 55.73 55.97 2aw2 s ARG 85 Cb 0.05 -2.51 -0.05 0.00 0.00 0.00 0.00 34.95 32.44 2aw2 s ARG 85 CO 0.83 0.18 0.33 -0.65 0.00 0.00 0.00 175.30 175.98 2aw2 s GLN 86 N -3.16 3.63 0.30 3.54 -1.52 -1.26 -4.95 119.66 116.23 2aw2 s GLN 86 Ca 0.50 -0.04 0.10 0.00 -1.95 0.00 0.00 55.36 53.97 2aw2 s GLN 86 Cb -0.11 -2.99 -0.05 0.00 -0.22 0.00 0.00 33.01 29.65 2aw2 s GLN 86 CO 0.23 0.57 -0.00 0.95 -0.25 0.00 0.00 175.29 176.78 2aw2 s THR 87 N -1.44 3.03 0.35 -0.19 -4.23 -1.26 -2.08 115.64 109.82 2aw2 s THR 87 Ca 0.33 -1.96 -0.09 0.00 -1.18 0.00 0.00 61.69 58.79 2aw2 s THR 87 Cb -0.13 -2.78 0.04 0.00 1.34 0.00 0.00 72.50 70.97 2aw2 s THR 87 CO 0.20 -0.30 0.62 -1.54 -0.54 0.00 0.00 174.62 173.06 2aw2 n SER 88 N -0.91 -1.78 -4.22 3.99 3.41 -0.47 -4.98 113.62 108.66 2aw2 n SER 88 Ca -0.05 -2.56 -0.27 0.00 -0.26 0.00 0.00 58.87 55.73 2aw2 n SER 88 Cb 0.60 3.06 -0.15 0.00 -0.26 0.00 0.00 64.21 67.46 2aw2 n SER 88 CO 0.00 0.00 0.00 0.26 -0.16 0.00 0.00 175.04 175.14 2aw2 s TRP 89 N -2.91 1.81 -0.18 7.33 0.52 -1.26 -0.12 118.94 124.14 2aw2 s TRP 89 Ca 0.19 -0.35 0.01 0.00 0.02 0.00 0.00 56.10 55.97 2aw2 s TRP 89 Cb -0.03 -1.15 0.03 0.00 -1.15 0.00 0.00 33.47 31.17 2aw2 s TRP 89 CO 0.14 -0.01 -0.12 0.21 0.02 0.00 0.00 176.95 177.19 2aw2 s LYS 90 N -0.59 2.17 -0.20 4.98 2.20 0.59 -4.98 119.74 123.92 2aw2 s LYS 90 Ca 0.08 -0.73 -0.20 0.00 -0.36 0.00 0.00 55.97 54.76 2aw2 s LYS 90 Cb -0.08 -2.29 -0.03 0.00 -1.51 0.00 0.00 37.83 33.92 2aw2 s LYS 90 CO -0.00 -0.34 0.58 -1.21 -0.36 0.00 0.00 175.35 174.01 2aw2 s GLU 91 N 1.43 4.20 0.42 4.03 2.02 -1.26 -0.51 118.70 129.02 2aw2 s GLU 91 Ca 0.02 0.52 0.07 0.00 0.02 0.00 0.00 54.97 55.60 2aw2 s GLU 91 Cb -0.15 -3.57 -0.04 0.00 0.10 0.00 0.00 34.13 30.46 2aw2 s GLU 91 CO -0.09 -0.21 0.21 -1.21 0.02 0.00 0.00 175.26 173.98 2aw2 s GLU 92 N 1.81 2.27 -0.17 1.61 2.02 -0.30 -5.01 118.70 120.92 2aw2 s GLU 92 Ca 0.27 -1.81 -0.29 0.00 0.02 0.00 0.00 54.97 53.15 2aw2 s GLU 92 Cb -0.16 -2.03 -0.01 0.00 0.10 0.00 0.00 34.13 32.02 2aw2 s GLU 92 CO 0.10 -0.15 1.28 -1.59 0.02 0.00 0.00 175.26 174.92 2aw2 s LYS 93 N -3.95 4.20 0.00 1.61 0.00 -1.26 -3.36 119.74 116.99 2aw2 s LYS 93 Ca 0.41 1.65 0.00 0.00 0.00 0.00 0.00 55.97 58.03 2aw2 s LYS 93 Cb 0.03 -3.78 0.00 0.00 0.00 0.00 0.00 37.83 34.07 2aw2 s LYS 93 CO 0.23 -0.75 0.00 0.09 0.00 0.00 0.00 175.35 174.92 2aw2 n ASN 94 N 6.72 0.00 -3.63 0.03 3.02 -1.26 -4.99 115.26 115.16 2aw2 n ASN 94 Ca 0.14 0.00 -0.13 0.00 -0.03 0.00 0.00 54.58 54.56 2aw2 n ASN 94 Cb 0.45 -0.23 -0.07 0.00 -0.61 0.00 0.00 39.78 39.32 2aw2 n ASN 94 CO 0.00 0.00 0.00 -0.51 -2.62 0.00 0.00 177.26 174.13 2aw2 s ILE 95 N -3.51 0.00 0.13 2.41 2.07 -1.21 -4.83 121.20 116.25 2aw2 s ILE 95 Ca 0.00 0.00 0.09 0.00 -1.41 0.00 0.00 60.65 59.33 2aw2 s ILE 95 Cb 0.00 -1.00 -0.04 0.00 0.13 0.00 0.00 42.46 41.55 2aw2 s ILE 95 CO 0.00 0.00 -0.17 -0.44 -1.91 0.00 0.00 174.94 172.42 2aw2 s SER 96 N 0.25 3.93 -0.13 4.50 0.01 -0.91 -1.15 113.70 120.19 2aw2 s SER 96 Ca 0.00 -0.58 0.02 0.00 1.31 0.00 0.00 55.95 56.70 2aw2 s SER 96 Cb -0.05 -0.56 0.01 0.00 0.21 0.00 0.00 66.02 65.64 2aw2 s SER 96 CO 0.00 0.16 -0.18 -0.36 0.41 0.00 0.00 173.24 173.27 2aw2 s PHE 97 N -1.27 2.37 -0.28 2.43 0.40 0.33 0.07 117.98 122.02 2aw2 s PHE 97 Ca 0.19 -1.21 -0.17 0.00 -0.60 0.00 0.00 56.93 55.15 2aw2 s PHE 97 Cb -0.10 -1.66 -0.03 0.00 0.51 0.00 0.00 43.02 41.75 2aw2 s PHE 97 CO 0.11 -0.59 0.45 0.12 0.70 0.00 0.00 175.22 176.01 2aw2 s PHE 98 N 1.02 3.24 -0.13 0.36 5.36 -0.78 -0.30 117.98 126.74 2aw2 s PHE 98 Ca -0.04 0.43 -0.02 0.00 -0.96 0.00 0.00 56.93 56.34 2aw2 s PHE 98 Cb -0.15 -2.70 -0.02 0.00 -0.34 0.00 0.00 43.02 39.81 2aw2 s PHE 98 CO -0.04 -0.32 -0.08 0.42 -1.46 0.00 0.00 175.22 173.74 2aw2 s ILE 99 N 2.22 3.51 -0.20 3.12 1.01 0.83 -0.90 121.20 130.80 2aw2 s ILE 99 Ca 0.18 -0.50 -0.14 0.00 0.00 0.00 0.00 60.65 60.19 2aw2 s ILE 99 Cb -0.16 -2.50 -0.04 0.00 0.01 0.00 0.00 42.46 39.77 2aw2 s ILE 99 CO 0.10 0.52 0.30 -0.22 0.00 0.00 0.00 174.94 175.65 2aw2 s LEU 100 N 0.19 4.17 -0.20 2.97 2.96 0.30 -1.36 118.68 127.70 2aw2 s LEU 100 Ca -0.05 0.41 -0.09 0.00 -0.22 0.00 0.00 54.13 54.18 2aw2 s LEU 100 Cb -0.14 -2.36 -0.04 0.00 0.50 0.00 0.00 46.19 44.14 2aw2 s LEU 100 CO 0.04 0.02 0.10 -1.00 -1.32 0.00 0.00 176.35 174.19 2aw2 s HIS 101 N 0.97 3.31 -0.30 5.38 3.76 -0.88 -1.55 115.29 125.98 2aw2 s HIS 101 Ca 0.15 0.17 -0.05 0.00 -0.15 0.00 0.00 55.06 55.19 2aw2 s HIS 101 Cb -0.14 -2.14 0.03 0.00 1.11 0.00 0.00 32.58 31.44 2aw2 s HIS 101 CO 0.06 0.18 0.04 -0.06 -0.85 0.00 0.00 174.74 174.11 2aw2 s PHE 102 N 0.50 3.19 -0.42 1.40 0.40 0.93 -4.33 117.98 119.64 2aw2 s PHE 102 Ca 0.06 -1.42 0.05 0.00 -0.60 0.00 0.00 56.93 55.02 2aw2 s PHE 102 Cb -0.12 -2.19 0.19 0.00 0.51 0.00 0.00 43.02 41.41 2aw2 s PHE 102 CO 0.00 -0.70 0.39 0.39 0.70 0.00 0.00 175.22 176.00 2aw2 n GLU 103 N 4.76 0.40 -1.76 0.44 1.02 -1.26 -1.56 120.64 122.67 2aw2 n GLU 103 Ca -0.14 -3.25 -0.12 0.00 -0.02 0.00 0.00 57.16 53.63 2aw2 n GLU 103 Cb 0.46 -1.59 0.05 0.00 -0.02 0.00 0.00 31.44 30.34 2aw2 n GLU 103 CO 0.00 0.00 0.00 -0.35 1.18 0.00 0.00 177.13 177.96 2aw2 n PRO 104 N 2.44 0.40 -2.45 3.49 -0.04 -1.26 -5.09 135.00 132.49 2aw2 n PRO 104 Ca 0.27 -1.50 -0.43 0.00 -0.04 0.00 0.00 63.50 61.81 2aw2 n PRO 104 Cb 0.49 -0.28 -0.02 0.00 -0.04 0.00 0.00 33.50 33.64 2aw2 n PRO 104 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 2aw2 s VAL 105 N -1.33 4.29 0.48 0.52 1.01 -0.87 -4.91 120.40 119.60 2aw2 s VAL 105 Ca 0.34 1.58 -0.10 0.00 0.00 0.00 0.00 61.98 63.81 2aw2 s VAL 105 Cb -0.02 -4.02 -0.05 0.00 0.00 0.00 0.00 36.38 32.29 2aw2 s VAL 105 CO 0.22 -0.10 0.85 -0.76 0.00 0.00 0.00 175.10 175.31 2aw2 s LEU 106 N 3.10 3.63 0.41 3.92 1.43 -1.26 -1.43 118.68 128.48 2aw2 s LEU 106 Ca 0.54 1.17 0.10 0.00 -1.03 0.00 0.00 54.13 54.91 2aw2 s LEU 106 Cb -0.22 -4.11 0.90 0.00 0.03 0.00 0.00 46.19 42.79 2aw2 s LEU 106 CO 0.16 -0.57 1.99 -0.65 0.23 0.00 0.00 176.35 177.52 2aw2 h PRO 107 N 0.59 0.53 0.00 1.29 0.11 -1.96 -2.30 132.00 130.26 2aw2 h PRO 107 Ca -0.46 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.61 2aw2 h PRO 107 Cb 1.19 -0.12 0.00 0.00 0.11 0.00 0.00 31.00 32.18 2aw2 h PRO 107 CO 0.62 0.35 0.00 0.09 -0.21 0.00 0.00 178.00 178.86 2aw2 n ASN 108 N -4.48 0.00 0.00 -2.05 5.03 -1.26 -3.50 115.26 109.00 2aw2 n ASN 108 Ca 0.09 0.04 0.07 0.00 0.87 0.00 0.00 54.58 55.65 2aw2 n ASN 108 Cb 0.26 -0.33 0.35 0.00 -1.02 0.00 0.00 39.78 39.04 2aw2 n ASN 108 CO 0.00 0.00 0.00 0.47 -1.83 0.00 0.00 177.26 175.90 2aw2 n ASP 109 N -1.33 0.00 -4.55 6.41 8.00 -0.87 -4.77 116.55 119.44 2aw2 n ASP 109 Ca 0.11 0.20 -0.44 0.00 0.71 0.00 0.00 54.79 55.38 2aw2 n ASP 109 Cb 0.23 -0.35 -0.01 0.00 -0.02 0.00 0.00 41.12 40.97 2aw2 n ASP 109 CO 0.00 0.00 0.00 -3.20 -0.39 0.00 0.00 177.20 173.61 2aw2 n ASN 110 N -1.35 0.65 0.00 -2.24 5.15 -1.23 -4.82 115.26 111.42 2aw2 n ASN 110 Ca 0.06 1.11 0.00 0.00 -0.60 0.00 0.00 54.58 55.14 2aw2 n ASN 110 Cb 0.13 -1.23 0.00 0.00 -0.53 0.00 0.00 39.78 38.15 2aw2 n ASN 110 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 2aw2 n GLY 111 N 1.39 1.01 3.70 8.20 0.00 -0.76 -4.98 105.19 113.75 2aw2 n GLY 111 Ca 0.11 -1.93 -0.34 0.00 0.00 0.00 0.00 46.02 43.86 2aw2 n GLY 111 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2aw2 s SER 112 N -2.14 5.26 0.16 1.61 0.01 -1.26 -0.25 113.70 117.09 2aw2 s SER 112 Ca 0.00 0.08 0.08 0.00 1.31 0.00 0.00 55.95 57.41 2aw2 s SER 112 Cb 0.00 -1.44 -0.04 0.00 0.21 0.00 0.00 66.02 64.75 2aw2 s SER 112 CO 0.00 0.32 -0.16 -0.31 0.41 0.00 0.00 173.24 173.49 2aw2 s TYR 113 N -1.03 1.70 -0.06 2.43 1.51 0.83 -0.73 117.35 122.00 2aw2 s TYR 113 Ca 0.18 -0.51 -0.05 0.00 -1.01 0.00 0.00 57.07 55.68 2aw2 s TYR 113 Cb -0.12 -0.84 0.02 0.00 -0.11 0.00 0.00 41.96 40.91 2aw2 s TYR 113 CO 0.08 0.29 0.16 0.50 -1.11 0.00 0.00 175.55 175.47 2aw2 s ARG 114 N -2.94 0.17 -0.14 -0.62 3.52 -0.45 -1.27 118.95 117.22 2aw2 s ARG 114 Ca 0.15 0.27 -0.05 0.00 -0.13 0.00 0.00 55.73 55.97 2aw2 s ARG 114 Cb -0.04 0.02 -0.04 0.00 -1.56 0.00 0.00 34.95 33.33 2aw2 s ARG 114 CO 0.06 -0.06 0.05 0.00 -0.81 0.00 0.00 175.30 174.53 2aw2 s SER 116 N -0.26 3.49 -0.11 0.00 1.04 -0.60 -2.30 113.70 114.96 2aw2 s SER 116 Ca 0.08 -0.86 -0.02 0.00 0.48 0.00 0.00 55.95 55.63 2aw2 s SER 116 Cb -0.12 -0.28 0.04 0.00 0.10 0.00 0.00 66.02 65.75 2aw2 s SER 116 CO 0.02 0.12 -0.00 0.00 0.98 0.00 0.00 173.24 174.35 2aw2 s ALA 117 N -1.70 0.92 -0.20 5.32 0.00 -0.50 -1.83 121.76 123.76 2aw2 s ALA 117 Ca 0.21 -0.38 -0.19 0.00 0.00 0.00 0.00 51.96 51.61 2aw2 s ALA 117 Cb -0.08 -0.90 -0.03 0.00 0.00 0.00 0.00 23.12 22.11 2aw2 s ALA 117 CO 0.10 -0.66 0.53 -0.80 0.00 0.00 0.00 175.76 174.93 2aw2 s ASN 118 N 1.89 6.57 -0.01 0.00 0.01 0.85 -1.35 114.94 122.89 2aw2 s ASN 118 Ca 0.03 0.69 -0.16 0.00 -0.71 0.00 0.00 52.86 52.71 2aw2 s ASN 118 Cb -0.14 -2.30 0.03 0.00 0.41 0.00 0.00 41.25 39.25 2aw2 s ASN 118 CO -0.07 -0.19 0.35 0.72 -1.51 0.00 0.00 177.10 176.41 2aw2 s PHE 119 N 1.66 -0.22 -0.73 2.20 -0.71 -0.70 -2.05 117.98 117.43 2aw2 s PHE 119 Ca 0.24 0.31 -0.08 0.00 -1.04 0.00 0.00 56.93 56.37 2aw2 s PHE 119 Cb -0.15 0.13 0.01 0.00 -1.21 0.00 0.00 43.02 41.80 2aw2 s PHE 119 CO 0.10 -0.43 0.15 0.00 -1.34 0.00 0.00 175.22 173.70 2aw2 n GLN 120 N 1.13 -0.81 0.00 1.99 -0.00 -1.26 0.44 117.38 118.87 2aw2 n GLN 120 Ca -0.21 -0.07 0.00 0.00 -0.00 0.00 0.00 57.00 56.72 2aw2 n GLN 120 Cb 0.57 -1.40 0.00 0.00 -0.00 0.00 0.00 30.24 29.40 2aw2 n GLN 120 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.06 175.93 2aw2 n SER 121 N -1.05 0.00 -4.48 2.61 3.41 -1.26 -4.94 113.62 107.91 2aw2 n SER 121 Ca -0.12 0.00 -0.29 0.00 -0.26 0.00 0.00 58.87 58.20 2aw2 n SER 121 Cb 0.33 0.00 0.24 0.00 -0.26 0.00 0.00 64.21 64.53 2aw2 n SER 121 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 2aw2 n ASN 122 N 1.88 -1.57 -3.81 4.04 5.03 0.17 -5.05 115.26 115.95 2aw2 n ASN 122 Ca 0.00 -0.10 -0.13 0.00 0.87 0.00 0.00 54.58 55.22 2aw2 n ASN 122 Cb 0.00 -1.27 -0.14 0.00 -1.02 0.00 0.00 39.78 37.36 2aw2 n ASN 122 CO 0.00 0.00 0.00 -0.22 -1.83 0.00 0.00 177.26 175.21 2aw2 s LEU 123 N -6.79 1.33 -0.20 3.41 2.96 -1.26 -1.72 118.68 116.41 2aw2 s LEU 123 Ca 0.68 0.22 -0.02 0.00 -0.22 0.00 0.00 54.13 54.79 2aw2 s LEU 123 Cb -0.25 0.32 0.00 0.00 0.50 0.00 0.00 46.19 46.77 2aw2 s LEU 123 CO 0.65 -0.07 -0.11 -0.63 -1.32 0.00 0.00 176.35 174.86 2aw2 s ILE 124 N 0.43 2.80 -0.28 6.68 1.01 -0.46 -4.96 121.20 126.42 2aw2 s ILE 124 Ca -0.03 -0.69 -0.07 0.00 0.00 0.00 0.00 60.65 59.86 2aw2 s ILE 124 Cb -0.05 -2.24 -0.01 0.00 0.01 0.00 0.00 42.46 40.18 2aw2 s ILE 124 CO -0.02 0.47 0.09 -1.61 0.00 0.00 0.00 174.94 173.87 2aw2 s GLU 125 N 1.39 3.33 0.68 2.79 0.41 -1.26 -1.41 118.70 124.63 2aw2 s GLU 125 Ca 0.05 -0.70 -0.11 0.00 -0.41 0.00 0.00 54.97 53.81 2aw2 s GLU 125 Cb -0.14 -3.38 -0.00 0.00 -1.78 0.00 0.00 34.13 28.83 2aw2 s GLU 125 CO -0.07 -0.35 1.06 -1.54 -0.49 0.00 0.00 175.26 173.87 2aw2 s SER 126 N 1.56 5.57 0.45 -0.19 1.04 -0.97 -5.02 113.70 116.14 2aw2 s SER 126 Ca 0.04 1.50 -0.25 0.00 0.48 0.00 0.00 55.95 57.73 2aw2 s SER 126 Cb -0.16 -2.42 -0.08 0.00 0.10 0.00 0.00 66.02 63.45 2aw2 s SER 126 CO 0.03 -1.30 1.37 1.41 0.98 0.00 0.00 173.24 175.73 2aw2 n HIS 127 N -3.03 2.48 -2.84 5.02 8.25 -1.26 -4.80 115.22 119.03 2aw2 n HIS 127 Ca 0.07 0.46 -0.33 0.00 -0.26 0.00 0.00 57.72 57.66 2aw2 n HIS 127 Cb 0.54 -2.42 -0.06 0.00 1.12 0.00 0.00 29.99 29.17 2aw2 n HIS 127 CO 0.00 0.00 0.00 -1.54 0.64 0.00 0.00 176.34 175.44 2aw2 s SER 128 N -0.53 6.83 -0.04 0.41 1.04 -1.26 -4.77 113.70 115.38 2aw2 s SER 128 Ca 0.62 1.54 0.02 0.00 0.48 0.00 0.00 55.95 58.61 2aw2 s SER 128 Cb -0.46 -2.48 -0.03 0.00 0.10 0.00 0.00 66.02 63.14 2aw2 s SER 128 CO 0.57 -0.36 -0.08 0.28 0.98 0.00 0.00 173.24 174.63 2aw2 s THR 129 N -2.21 3.57 -0.18 2.02 -1.32 -0.40 -3.95 115.64 113.17 2aw2 s THR 129 Ca 0.59 -0.64 -0.02 0.00 -1.21 0.00 0.00 61.69 60.41 2aw2 s THR 129 Cb -0.09 -2.48 -0.01 0.00 -1.51 0.00 0.00 72.50 68.40 2aw2 s THR 129 CO 0.18 0.52 -0.08 -0.89 -2.21 0.00 0.00 174.62 172.14 2aw2 s THR 130 N -0.87 3.27 -0.33 5.08 2.01 -0.84 -0.12 115.64 123.84 2aw2 s THR 130 Ca 0.14 -0.55 -0.17 0.00 0.31 0.00 0.00 61.69 61.42 2aw2 s THR 130 Cb -0.11 -2.44 -0.01 0.00 0.01 0.00 0.00 72.50 69.95 2aw2 s THR 130 CO 0.04 0.47 0.47 -0.76 -0.69 0.00 0.00 174.62 174.14 2aw2 s LEU 131 N 0.98 4.31 -0.42 4.42 1.43 0.66 -1.34 118.68 128.71 2aw2 s LEU 131 Ca -0.01 0.01 -0.16 0.00 -1.03 0.00 0.00 54.13 52.94 2aw2 s LEU 131 Cb -0.15 -2.52 0.03 0.00 0.03 0.00 0.00 46.19 43.58 2aw2 s LEU 131 CO -0.00 -0.40 0.35 -0.31 0.23 0.00 0.00 176.35 176.22 2aw2 s TYR 132 N 2.27 3.22 -0.10 0.29 2.02 -0.34 -1.82 117.35 122.88 2aw2 s TYR 132 Ca 0.17 -0.57 -0.03 0.00 -0.37 0.00 0.00 57.07 56.28 2aw2 s TYR 132 Cb -0.16 -2.74 -0.03 0.00 -0.40 0.00 0.00 41.96 38.62 2aw2 s TYR 132 CO 0.12 -0.65 0.01 0.08 -1.57 0.00 0.00 175.55 173.55 2aw2 s VAL 133 N 1.81 4.42 0.09 0.71 1.01 -1.26 -1.56 120.40 125.62 2aw2 s VAL 133 Ca 0.07 -0.20 0.08 0.00 0.00 0.00 0.00 61.98 61.93 2aw2 s VAL 133 Cb -0.19 -2.88 -0.03 0.00 0.00 0.00 0.00 36.38 33.28 2aw2 s VAL 133 CO 0.11 0.59 -0.21 0.28 0.00 0.00 0.00 175.10 175.87 2aw2 s THR 134 N -0.74 1.69 -0.31 3.92 -1.32 -0.82 -4.95 115.64 113.11 2aw2 s THR 134 Ca 0.12 -1.45 -0.03 0.00 -1.21 0.00 0.00 61.69 59.12 2aw2 s THR 134 Cb -0.12 -1.52 0.05 0.00 -1.51 0.00 0.00 72.50 69.40 2aw2 s THR 134 CO 0.02 0.00 0.03 -0.62 -2.21 0.00 0.00 174.62 171.84 2aw2 s ASP 135 N -1.73 4.99 -0.15 8.08 -1.08 -1.26 -1.64 116.67 123.87 2aw2 s ASP 135 Ca 0.06 -1.29 -0.14 0.00 -0.52 0.00 0.00 52.55 50.66 2aw2 s ASP 135 Cb -0.10 -1.75 0.04 0.00 -1.46 0.00 0.00 42.92 39.66 2aw2 s ASP 135 CO 0.04 -0.29 0.41 0.68 0.52 0.00 0.00 175.17 176.52 2aw2 s VAL 136 N 1.27 -0.00 0.21 1.11 -7.23 -1.26 -5.05 120.40 109.45 2aw2 s VAL 136 Ca -0.04 0.01 -0.30 0.00 -1.81 0.00 0.00 61.98 59.84 2aw2 s VAL 136 Cb -0.20 -0.57 -0.08 0.00 0.56 0.00 0.00 36.38 36.09 2aw2 s VAL 136 CO -0.01 0.00 1.09 -0.54 -0.31 0.00 0.00 175.10 175.34 2aw2 s LYS 137 N 0.30 4.62 0.00 4.82 1.02 -1.26 -4.87 119.74 124.36 2aw2 s LYS 137 Ca -0.01 1.73 0.00 0.00 0.02 0.00 0.00 55.97 57.71 2aw2 s LYS 137 Cb -0.03 -3.26 0.00 0.00 -0.52 0.00 0.00 37.83 34.02 2aw2 s LYS 137 CO -0.00 0.13 0.00 -2.39 -0.92 0.00 0.00 175.35 172.17 2aw2 n HIS 138 N 2.04 -0.43 0.00 3.18 1.44 -1.26 -5.13 115.22 115.07 2aw2 n HIS 138 Ca 0.02 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.73 2aw2 n HIS 138 Cb 0.46 0.00 0.00 0.00 0.12 0.00 0.00 29.99 30.57 2aw2 n HIS 138 CO 0.00 0.00 0.00 0.72 -2.81 0.00 0.00 176.34 174.25 2aw2 n HIS 139 N 0.00 0.00 -0.88 -1.40 8.25 -1.26 -5.20 115.22 114.73 2aw2 n HIS 139 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.46 2aw2 n HIS 139 Cb 0.00 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.11 2aw2 n HIS 139 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70