#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 5.17 0.36 0.00 2.15 -1.26 -5.00 116.67 118.10 2aw2 s ASP 35 Ca 0.00 -0.02 -0.25 0.00 0.43 0.00 0.00 52.55 52.72 2aw2 s ASP 35 Cb 0.00 -1.82 -0.10 0.00 -0.30 0.00 0.00 42.92 40.70 2aw2 s ASP 35 CO 0.00 0.19 0.99 -0.69 -0.17 0.00 0.00 175.17 175.49 2aw2 s VAL 36 N 0.23 4.04 -0.07 1.11 1.01 -1.26 -4.67 120.40 120.80 2aw2 s VAL 36 Ca 0.00 1.59 -0.30 0.00 0.00 0.00 0.00 61.98 63.28 2aw2 s VAL 36 Cb -0.13 -3.84 0.11 0.00 0.00 0.00 0.00 36.38 32.52 2aw2 s VAL 36 CO 0.02 0.04 0.94 -1.58 0.00 0.00 0.00 175.10 174.51 2aw2 s GLN 37 N -2.35 0.72 -0.12 2.72 2.00 -1.19 -5.01 119.66 116.44 2aw2 s GLN 37 Ca 0.54 -0.13 0.00 0.00 -2.00 0.00 0.00 55.36 53.78 2aw2 s GLN 37 Cb -0.19 0.33 -0.02 0.00 0.80 0.00 0.00 33.01 33.94 2aw2 s GLN 37 CO 0.24 -0.29 -0.13 -0.51 -0.50 0.00 0.00 175.29 174.11 2aw2 s LEU 38 N -1.98 2.76 -0.69 3.68 1.43 -1.26 -1.76 118.68 120.86 2aw2 s LEU 38 Ca 0.03 -0.29 0.03 0.00 -1.03 0.00 0.00 54.13 52.87 2aw2 s LEU 38 Cb -0.01 -1.61 0.35 0.00 0.03 0.00 0.00 46.19 44.95 2aw2 s LEU 38 CO -0.05 0.20 1.29 -1.22 0.23 0.00 0.00 176.35 176.80 2aw2 n TYR 39 N 3.31 3.54 -3.31 0.29 4.02 -0.68 -4.87 117.16 119.46 2aw2 n TYR 39 Ca -0.18 -3.35 -0.38 0.00 -0.01 0.00 0.00 57.90 53.98 2aw2 n TYR 39 Cb 0.53 -0.65 -0.06 0.00 -0.02 0.00 0.00 39.34 39.13 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 -4.69 5.18 0.44 -0.72 1.01 -1.26 -4.64 121.20 116.52 2aw2 s ILE 40 Ca 0.47 0.93 -0.22 0.00 0.00 0.00 0.00 60.65 61.82 2aw2 s ILE 40 Cb 0.29 -3.81 -0.09 0.00 0.01 0.00 0.00 42.46 38.86 2aw2 s ILE 40 CO -0.17 0.30 1.04 -0.75 0.00 0.00 0.00 174.94 175.36 2aw2 s LYS 41 N 0.81 4.03 0.29 2.79 2.20 -1.26 -4.37 119.74 124.22 2aw2 s LYS 41 Ca 0.25 1.43 -0.30 0.00 -0.36 0.00 0.00 55.97 56.99 2aw2 s LYS 41 Cb -0.15 -2.34 -0.13 0.00 -1.51 0.00 0.00 37.83 33.70 2aw2 s LYS 41 CO 0.10 -0.25 1.37 -2.13 -0.36 0.00 0.00 175.35 174.08 2aw2 n ARG 42 N -0.46 2.13 -3.17 4.03 0.63 -1.26 -2.10 116.66 116.47 2aw2 n ARG 42 Ca 0.07 0.75 -0.23 0.00 -0.92 0.00 0.00 57.85 57.52 2aw2 n ARG 42 Cb 0.51 -2.39 0.04 0.00 0.45 0.00 0.00 32.46 31.07 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 1.40 -5.09 -1.85 -0.14 6.02 -1.26 -4.95 117.38 111.51 2aw2 n GLN 43 Ca 0.08 0.83 -0.42 0.00 -0.01 0.00 0.00 57.00 57.49 2aw2 n GLN 43 Cb 0.34 -5.70 -0.02 0.00 1.02 0.00 0.00 30.24 25.87 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 -2.80 6.48 0.03 1.08 0.15 -0.89 -4.96 113.70 112.79 2aw2 s SER 44 Ca 0.36 2.80 -0.04 0.00 0.70 0.00 0.00 55.95 59.78 2aw2 s SER 44 Cb -0.17 -2.62 -0.01 0.00 -1.71 0.00 0.00 66.02 61.51 2aw2 s SER 44 CO 0.45 -0.86 0.06 -1.83 1.20 0.00 0.00 173.24 172.26 2aw2 s GLU 45 N 0.22 0.50 0.02 5.44 -1.05 -1.26 -1.08 118.70 121.50 2aw2 s GLU 45 Ca 0.66 -0.69 0.02 0.00 -0.15 0.00 0.00 54.97 54.81 2aw2 s GLU 45 Cb -0.46 0.19 -0.02 0.00 -0.44 0.00 0.00 34.13 33.40 2aw2 s GLU 45 CO 0.40 -0.11 -0.07 -1.01 0.95 0.00 0.00 175.26 175.42 2aw2 s HIS 46 N -2.19 0.61 -0.18 4.83 3.76 -0.65 -4.90 115.29 116.57 2aw2 s HIS 46 Ca -0.09 -0.34 0.01 0.00 -0.15 0.00 0.00 55.06 54.50 2aw2 s HIS 46 Cb -0.04 -0.37 0.03 0.00 1.11 0.00 0.00 32.58 33.31 2aw2 s HIS 46 CO -0.03 -0.05 -0.14 -1.12 -0.85 0.00 0.00 174.74 172.55 2aw2 s SER 47 N -1.00 3.11 0.12 1.40 0.01 -1.26 -1.38 113.70 114.69 2aw2 s SER 47 Ca -0.05 -0.71 -0.03 0.00 1.31 0.00 0.00 55.95 56.48 2aw2 s SER 47 Cb -0.07 -1.27 -0.03 0.00 0.21 0.00 0.00 66.02 64.86 2aw2 s SER 47 CO 0.00 -0.09 0.09 0.27 0.41 0.00 0.00 173.24 173.93 2aw2 s ILE 48 N 1.40 0.12 -0.19 1.44 -4.36 -1.07 -5.02 121.20 113.53 2aw2 s ILE 48 Ca 0.02 -1.75 -0.09 0.00 -0.26 0.00 0.00 60.65 58.57 2aw2 s ILE 48 Cb -0.14 -1.86 -0.05 0.00 1.25 0.00 0.00 42.46 41.65 2aw2 s ILE 48 CO -0.10 -0.55 0.12 -0.76 0.24 0.00 0.00 174.94 173.90 2aw2 s LEU 49 N -3.00 4.19 0.25 0.37 1.43 -1.26 -1.68 118.68 118.98 2aw2 s LEU 49 Ca 0.18 0.25 -0.31 0.00 -1.03 0.00 0.00 54.13 53.22 2aw2 s LEU 49 Cb 0.07 -2.07 -0.12 0.00 0.03 0.00 0.00 46.19 44.09 2aw2 s LEU 49 CO -0.02 0.21 1.58 0.00 0.23 0.00 0.00 176.35 178.35 2aw2 n ALA 50 N 3.31 2.17 0.00 4.21 0.00 -0.63 -2.46 120.51 127.10 2aw2 n ALA 50 Ca -0.17 0.39 0.00 0.00 0.00 0.00 0.00 53.44 53.67 2aw2 n ALA 50 Cb 0.52 -2.42 0.00 0.00 0.00 0.00 0.00 19.45 17.55 2aw2 n ALA 50 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2aw2 n GLY 51 N 2.64 1.79 3.89 0.00 0.00 0.13 -4.47 105.19 109.17 2aw2 n GLY 51 Ca 0.11 -0.26 -0.28 0.00 0.00 0.00 0.00 46.02 45.59 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 -0.19 6.31 0.58 1.61 1.01 -1.03 -4.71 116.67 120.24 2aw2 s ASP 52 Ca 0.00 1.05 -0.12 0.00 0.71 0.00 0.00 52.55 54.18 2aw2 s ASP 52 Cb 0.00 -2.30 -0.05 0.00 1.01 0.00 0.00 42.92 41.58 2aw2 s ASP 52 CO 0.00 -0.59 1.00 -2.16 0.21 0.00 0.00 175.17 173.63 2aw2 s PRO 53 N -4.65 3.70 -0.14 8.23 0.04 -1.26 -0.87 135.00 140.05 2aw2 s PRO 53 Ca 0.49 0.77 -0.29 0.00 0.04 0.00 0.00 61.00 62.02 2aw2 s PRO 53 Cb -0.10 -2.12 0.08 0.00 0.04 0.00 0.00 34.50 32.40 2aw2 s PRO 53 CO 0.44 -0.46 0.77 0.12 0.04 0.00 0.00 177.00 177.91 2aw2 s PHE 54 N -2.99 -0.64 -0.05 0.56 5.36 -0.37 -4.87 117.98 114.98 2aw2 s PHE 54 Ca 0.56 1.27 0.05 0.00 -0.96 0.00 0.00 56.93 57.84 2aw2 s PHE 54 Cb -0.11 0.37 -0.00 0.00 -0.34 0.00 0.00 43.02 42.94 2aw2 s PHE 54 CO 0.47 -0.48 -0.19 -1.21 -1.46 0.00 0.00 175.22 172.35 2aw2 s GLU 55 N -0.64 2.00 -0.01 10.12 2.02 -1.26 -0.03 118.70 130.90 2aw2 s GLU 55 Ca -0.05 -0.68 -0.08 0.00 0.02 0.00 0.00 54.97 54.18 2aw2 s GLU 55 Cb -0.02 -1.71 -0.05 0.00 0.10 0.00 0.00 34.13 32.45 2aw2 s GLU 55 CO 0.05 0.26 0.27 -0.51 0.02 0.00 0.00 175.26 175.36 2aw2 s LEU 56 N 0.02 4.39 -0.18 1.80 1.43 -0.56 -4.97 118.68 120.60 2aw2 s LEU 56 Ca -0.05 0.62 0.00 0.00 -1.03 0.00 0.00 54.13 53.67 2aw2 s LEU 56 Cb -0.12 -2.57 0.04 0.00 0.03 0.00 0.00 46.19 43.57 2aw2 s LEU 56 CO 0.03 0.29 -0.08 -1.61 0.23 0.00 0.00 176.35 175.21 2aw2 s GLU 57 N -1.54 1.74 -0.46 1.70 2.02 -1.26 -1.17 118.70 119.73 2aw2 s GLU 57 Ca 0.25 -0.67 -0.18 0.00 0.02 0.00 0.00 54.97 54.39 2aw2 s GLU 57 Cb -0.14 -2.20 0.04 0.00 0.10 0.00 0.00 34.13 31.94 2aw2 s GLU 57 CO 0.14 -0.42 0.54 0.00 0.02 0.00 0.00 175.26 175.54 2aw2 s PRO 59 N 2.41 4.23 -0.13 0.00 0.02 -1.26 -1.38 135.00 138.89 2aw2 s PRO 59 Ca 0.14 1.81 -0.01 0.00 0.02 0.00 0.00 61.00 62.96 2aw2 s PRO 59 Cb -0.18 -3.78 -0.02 0.00 0.02 0.00 0.00 34.50 30.53 2aw2 s PRO 59 CO 0.13 -0.71 -0.09 0.08 -0.33 0.00 0.00 177.00 176.08 2aw2 s VAL 60 N 3.44 3.42 -0.15 3.83 1.01 -0.43 -1.69 120.40 129.84 2aw2 s VAL 60 Ca 0.60 -0.53 -0.05 0.00 0.00 0.00 0.00 61.98 62.00 2aw2 s VAL 60 Cb -0.25 -2.46 -0.03 0.00 0.00 0.00 0.00 36.38 33.63 2aw2 s VAL 60 CO 0.19 0.52 0.01 -0.75 0.00 0.00 0.00 175.10 175.07 2aw2 s LYS 61 N 0.26 3.65 0.29 2.72 2.20 -0.72 -1.80 119.74 126.33 2aw2 s LYS 61 Ca -0.06 -0.43 -0.14 0.00 -0.36 0.00 0.00 55.97 54.98 2aw2 s LYS 61 Cb -0.15 -3.00 0.05 0.00 -1.51 0.00 0.00 37.83 33.22 2aw2 s LYS 61 CO 0.04 0.35 0.72 2.48 -0.36 0.00 0.00 175.35 178.58 2aw2 n TYR 62 N 3.24 -1.93 0.03 4.03 4.11 -1.26 -3.14 117.16 122.23 2aw2 n TYR 62 Ca -0.17 -1.45 0.00 0.00 -0.00 0.00 0.00 57.90 56.28 2aw2 n TYR 62 Cb 0.53 0.72 0.00 0.00 -0.00 0.00 0.00 39.34 40.59 2aw2 n TYR 62 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.86 176.86 2aw2 n ALA 64 N -2.65 0.00 -2.80 0.00 0.00 -1.26 -4.93 120.51 108.87 2aw2 n ALA 64 Ca 0.00 0.00 -0.35 0.00 0.00 0.00 0.00 53.44 53.09 2aw2 n ALA 64 Cb 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 19.45 19.36 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 -1.24 5.69 0.13 0.00 -0.87 -1.26 -5.07 114.94 112.32 2aw2 s ASN 65 Ca 0.00 0.17 -0.31 0.00 -1.57 0.00 0.00 52.86 51.15 2aw2 s ASN 65 Cb 0.00 -1.88 -0.09 0.00 -0.02 0.00 0.00 41.25 39.26 2aw2 s ASN 65 CO 0.00 0.26 1.49 -0.60 -2.57 0.00 0.00 177.10 175.68 2aw2 s ARG 66 N -0.16 4.26 0.50 -0.60 3.52 -1.26 -4.99 118.95 120.22 2aw2 s ARG 66 Ca 0.07 2.22 -0.18 0.00 -0.13 0.00 0.00 55.73 57.71 2aw2 s ARG 66 Cb -0.12 -3.26 -0.08 0.00 -1.56 0.00 0.00 34.95 29.93 2aw2 s ARG 66 CO 0.01 -0.55 0.99 -1.25 -0.81 0.00 0.00 175.30 173.70 2aw2 s PRO 67 N 1.33 3.92 -0.29 5.12 0.04 -1.26 -5.00 135.00 138.86 2aw2 s PRO 67 Ca 0.68 1.08 -0.29 0.00 0.04 0.00 0.00 61.00 62.51 2aw2 s PRO 67 Cb -0.40 -2.13 -0.01 0.00 0.04 0.00 0.00 34.50 32.00 2aw2 s PRO 67 CO 0.31 -0.30 1.48 -1.58 0.04 0.00 0.00 177.00 176.95 2aw2 s HIS 68 N -2.41 2.35 0.05 0.56 5.65 -1.17 -4.89 115.29 115.44 2aw2 s HIS 68 Ca 0.61 0.69 0.04 0.00 0.25 0.00 0.00 55.06 56.66 2aw2 s HIS 68 Cb -0.11 -4.02 -0.04 0.00 -1.18 0.00 0.00 32.58 27.23 2aw2 s HIS 68 CO 0.26 -2.32 -0.04 0.08 -0.65 0.00 0.00 174.74 172.07 2aw2 s VAL 69 N 5.04 3.78 0.07 0.89 1.01 -1.26 -1.53 120.40 128.40 2aw2 s VAL 69 Ca 0.65 -0.91 0.00 0.00 0.00 0.00 0.00 61.98 61.72 2aw2 s VAL 69 Cb -0.20 -2.73 -0.04 0.00 0.00 0.00 0.00 36.38 33.42 2aw2 s VAL 69 CO 0.28 0.25 -0.05 0.42 0.00 0.00 0.00 175.10 176.00 2aw2 s THR 70 N -1.15 0.44 0.10 3.92 -4.23 -0.67 -4.98 115.64 109.07 2aw2 s THR 70 Ca 0.21 -1.86 0.05 0.00 -1.18 0.00 0.00 61.69 58.92 2aw2 s THR 70 Cb -0.11 -1.58 -0.04 0.00 1.34 0.00 0.00 72.50 72.11 2aw2 s THR 70 CO 0.12 -0.93 0.01 0.26 -0.54 0.00 0.00 174.62 173.54 2aw2 s TRP 71 N -3.75 2.99 -0.07 3.99 0.52 -1.26 -1.40 118.94 119.95 2aw2 s TRP 71 Ca 0.09 -0.03 -0.13 0.00 0.02 0.00 0.00 56.10 56.05 2aw2 s TRP 71 Cb 0.07 -1.52 0.03 0.00 -1.15 0.00 0.00 33.47 30.89 2aw2 s TRP 71 CO -0.07 0.49 0.31 0.00 0.02 0.00 0.00 176.95 177.70 2aw2 s LYS 73 N -0.56 4.23 -0.05 0.00 2.20 -0.51 -1.12 119.74 123.92 2aw2 s LYS 73 Ca -0.07 0.61 -0.24 0.00 -0.36 0.00 0.00 55.97 55.91 2aw2 s LYS 73 Cb -0.04 -3.32 -0.04 0.00 -1.51 0.00 0.00 37.83 32.92 2aw2 s LYS 73 CO 0.02 0.43 0.74 -0.51 -0.36 0.00 0.00 175.35 175.67 2aw2 s LEU 74 N -0.34 4.33 -0.08 5.43 1.43 0.15 -1.04 118.68 128.56 2aw2 s LEU 74 Ca 0.28 1.26 0.11 0.00 -1.03 0.00 0.00 54.13 54.75 2aw2 s LEU 74 Cb -0.17 -3.15 0.22 0.00 0.03 0.00 0.00 46.19 43.12 2aw2 s LEU 74 CO 0.15 -0.13 1.15 -0.46 0.23 0.00 0.00 176.35 177.29 2aw2 n ASN 75 N 3.74 2.50 0.00 2.29 2.04 -0.96 -4.46 115.26 120.41 2aw2 n ASN 75 Ca -0.00 -2.59 0.00 0.00 -0.44 0.00 0.00 54.58 51.55 2aw2 n ASN 75 Cb 0.51 -0.28 0.00 0.00 -2.53 0.00 0.00 39.78 37.49 2aw2 n ASN 75 CO 0.00 0.00 0.00 0.61 -0.44 0.00 0.00 177.26 177.43 2aw2 n GLY 76 N -0.78 1.15 0.10 4.83 0.00 -1.26 -4.81 105.19 104.42 2aw2 n GLY 76 Ca 0.11 -0.51 -0.19 0.00 0.00 0.00 0.00 46.02 45.43 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 1.56 -3.10 2.61 2.02 -2.01 -3.47 112.91 110.52 2aw2 h THR 77 Ca 0.00 -2.49 -0.59 0.00 0.77 0.00 0.00 66.41 64.10 2aw2 h THR 77 Cb 0.00 3.23 -0.04 0.00 -1.74 0.00 0.00 68.15 69.59 2aw2 h THR 77 CO 0.00 0.69 -0.27 0.42 0.37 0.00 0.00 175.52 176.73 2aw2 s THR 78 N -2.38 5.13 -0.43 3.16 -4.23 -1.26 -5.07 115.64 110.56 2aw2 s THR 78 Ca -0.15 0.33 -0.14 0.00 -1.18 0.00 0.00 61.69 60.55 2aw2 s THR 78 Cb 0.00 -3.63 0.05 0.00 1.34 0.00 0.00 72.50 70.26 2aw2 s THR 78 CO 0.80 0.24 0.32 0.00 -0.54 0.00 0.00 174.62 175.44 2aw2 s VAL 80 N 1.63 4.98 0.70 0.00 0.11 -0.21 -4.84 120.40 122.77 2aw2 s VAL 80 Ca 0.04 1.28 -0.14 0.00 -2.93 0.00 0.00 61.98 60.24 2aw2 s VAL 80 Cb -0.22 -3.99 0.02 0.00 -1.53 0.00 0.00 36.38 30.67 2aw2 s VAL 80 CO 0.07 0.07 1.12 -0.54 -3.33 0.00 0.00 175.10 172.49 2aw2 s LYS 81 N 2.13 2.54 -0.11 1.54 1.02 -1.26 -1.42 119.74 124.18 2aw2 s LYS 81 Ca 0.30 1.37 -0.01 0.00 0.02 0.00 0.00 55.97 57.66 2aw2 s LYS 81 Cb -0.16 -1.92 -0.03 0.00 -0.52 0.00 0.00 37.83 35.21 2aw2 s LYS 81 CO 0.10 -1.45 -0.05 -0.51 -0.92 0.00 0.00 175.35 172.52 2aw2 s LEU 82 N -5.22 3.22 -0.37 3.17 2.01 -1.04 -4.86 118.68 115.60 2aw2 s LEU 82 Ca 0.66 -0.06 -0.01 0.00 0.01 0.00 0.00 54.13 54.73 2aw2 s LEU 82 Cb -0.21 -1.74 0.18 0.00 0.01 0.00 0.00 46.19 44.44 2aw2 s LEU 82 CO 0.46 0.28 0.85 -0.70 1.01 0.00 0.00 176.35 178.25 2aw2 s GLU 83 N -0.30 0.49 0.23 1.70 2.56 -1.26 -4.87 118.70 117.26 2aw2 s GLU 83 Ca 0.05 -0.17 0.00 0.00 0.00 0.00 0.00 54.97 54.85 2aw2 s GLU 83 Cb -0.13 0.06 0.00 0.00 2.00 0.00 0.00 34.13 36.06 2aw2 s GLU 83 CO 0.02 -0.70 0.00 -0.25 -0.56 0.00 0.00 175.26 173.77 2aw2 n ASP 84 N 4.00 -2.11 -4.33 -1.70 9.92 -1.26 -5.04 116.55 116.03 2aw2 n ASP 84 Ca 0.08 0.67 -0.36 0.00 -0.53 0.00 0.00 54.79 54.65 2aw2 n ASP 84 Cb 0.60 2.19 -0.13 0.00 -0.64 0.00 0.00 41.12 43.14 2aw2 n ASP 84 CO 0.00 0.00 0.00 -0.60 0.13 0.00 0.00 177.20 176.73 2aw2 s ARG 85 N -1.91 3.19 0.00 -1.24 3.52 -1.26 -5.08 118.95 116.18 2aw2 s ARG 85 Ca 0.00 -0.77 0.00 0.00 -0.13 0.00 0.00 55.73 54.83 2aw2 s ARG 85 Cb 0.00 -3.22 0.00 0.00 -1.56 0.00 0.00 34.95 30.17 2aw2 s ARG 85 CO 0.00 -0.34 0.00 1.04 -0.81 0.00 0.00 175.30 175.19 2aw2 n GLN 86 N 4.83 2.81 -4.08 5.12 6.02 -1.26 -4.78 117.38 126.04 2aw2 n GLN 86 Ca -0.16 0.00 -0.25 0.00 -0.01 0.00 0.00 57.00 56.59 2aw2 n GLN 86 Cb 0.49 0.00 -0.07 0.00 1.02 0.00 0.00 30.24 31.68 2aw2 n GLN 86 CO 0.00 0.00 0.00 0.95 -1.01 0.00 0.00 177.06 177.00 2aw2 s THR 87 N 0.10 2.28 0.15 5.09 -4.23 -1.26 -2.39 115.64 115.38 2aw2 s THR 87 Ca 0.00 -1.66 -0.25 0.00 -1.18 0.00 0.00 61.69 58.61 2aw2 s THR 87 Cb 0.00 -2.94 0.06 0.00 1.34 0.00 0.00 72.50 70.96 2aw2 s THR 87 CO 0.00 0.00 0.81 -0.94 -0.54 0.00 0.00 174.62 173.95 2aw2 s SER 88 N -3.95 -0.32 -0.08 3.99 1.04 0.13 -4.96 113.70 109.56 2aw2 s SER 88 Ca 0.41 -0.28 -0.02 0.00 0.48 0.00 0.00 55.95 56.54 2aw2 s SER 88 Cb 0.03 0.54 -0.03 0.00 0.10 0.00 0.00 66.02 66.66 2aw2 s SER 88 CO 0.23 -0.96 0.02 0.26 0.98 0.00 0.00 173.24 173.77 2aw2 s TRP 89 N -3.49 3.21 -0.16 5.02 0.52 -1.26 0.62 118.94 123.39 2aw2 s TRP 89 Ca 0.08 0.22 -0.01 0.00 0.02 0.00 0.00 56.10 56.41 2aw2 s TRP 89 Cb -0.02 -1.79 0.04 0.00 -1.15 0.00 0.00 33.47 30.55 2aw2 s TRP 89 CO -0.02 0.50 -0.05 0.21 0.02 0.00 0.00 176.95 177.61 2aw2 s LYS 90 N -1.03 1.42 -0.22 4.98 2.20 -0.23 -4.98 119.74 121.88 2aw2 s LYS 90 Ca 0.15 -0.49 -0.09 0.00 -0.36 0.00 0.00 55.97 55.17 2aw2 s LYS 90 Cb -0.11 -1.97 -0.05 0.00 -1.51 0.00 0.00 37.83 34.19 2aw2 s LYS 90 CO 0.04 -0.42 0.13 -1.21 -0.36 0.00 0.00 175.35 173.53 2aw2 s GLU 91 N 1.64 4.03 0.53 4.03 0.41 -1.26 -0.33 118.70 127.75 2aw2 s GLU 91 Ca 0.01 -0.30 0.05 0.00 -0.41 0.00 0.00 54.97 54.33 2aw2 s GLU 91 Cb -0.15 -3.43 0.03 0.00 -1.78 0.00 0.00 34.13 28.80 2aw2 s GLU 91 CO -0.08 0.12 0.36 -2.00 -0.49 0.00 0.00 175.26 173.17 2aw2 s GLU 92 N 0.85 2.25 0.12 1.61 2.12 -0.84 -4.98 118.70 119.84 2aw2 s GLU 92 Ca 0.06 -2.04 -0.32 0.00 0.36 0.00 0.00 54.97 53.03 2aw2 s GLU 92 Cb -0.13 -2.05 -0.10 0.00 0.26 0.00 0.00 34.13 32.12 2aw2 s GLU 92 CO 0.03 -0.57 1.56 1.57 -0.54 0.00 0.00 175.26 177.31 2aw2 h LYS 93 N 0.84 -0.53 0.00 4.30 2.10 -2.01 -3.26 116.57 118.00 2aw2 h LYS 93 Ca -0.38 0.04 0.00 0.00 -2.00 0.00 0.00 60.65 58.31 2aw2 h LYS 93 Cb 1.30 0.12 0.00 0.00 -0.90 0.00 0.00 32.23 32.75 2aw2 h LYS 93 CO 0.59 -0.35 -0.22 0.27 -2.00 0.00 0.00 179.45 177.74 2aw2 n ASN 94 N -5.44 1.33 -3.64 7.07 2.04 -1.26 -5.02 115.26 110.34 2aw2 n ASN 94 Ca -0.05 -2.61 -0.07 0.00 -0.44 0.00 0.00 54.58 51.41 2aw2 n ASN 94 Cb 0.38 -0.33 -0.07 0.00 -2.53 0.00 0.00 39.78 37.23 2aw2 n ASN 94 CO 0.00 0.00 0.00 -0.51 -0.44 0.00 0.00 177.26 176.31 2aw2 s ILE 95 N -1.62 0.00 0.52 1.53 2.07 -1.23 -4.79 121.20 117.68 2aw2 s ILE 95 Ca 0.18 0.00 0.07 0.00 -1.41 0.00 0.00 60.65 59.49 2aw2 s ILE 95 Cb 0.16 -1.00 0.04 0.00 0.13 0.00 0.00 42.46 41.79 2aw2 s ILE 95 CO 0.02 0.00 0.53 -0.44 -1.91 0.00 0.00 174.94 173.14 2aw2 s SER 96 N 1.35 4.92 -0.06 4.50 0.01 -0.75 -1.99 113.70 121.69 2aw2 s SER 96 Ca -0.08 -0.97 -0.02 0.00 1.31 0.00 0.00 55.95 56.19 2aw2 s SER 96 Cb -0.05 0.11 0.03 0.00 0.21 0.00 0.00 66.02 66.33 2aw2 s SER 96 CO -0.16 -1.07 0.05 -0.36 0.41 0.00 0.00 173.24 172.11 2aw2 s PHE 97 N -2.65 0.24 -0.26 2.43 0.40 0.55 -1.31 117.98 117.37 2aw2 s PHE 97 Ca 0.47 0.09 -0.21 0.00 -0.60 0.00 0.00 56.93 56.68 2aw2 s PHE 97 Cb -0.04 -0.59 -0.01 0.00 0.51 0.00 0.00 43.02 42.89 2aw2 s PHE 97 CO 0.29 -0.26 0.66 0.12 0.70 0.00 0.00 175.22 176.74 2aw2 s PHE 98 N 2.11 3.27 -0.14 0.36 5.36 -0.48 -1.06 117.98 127.40 2aw2 s PHE 98 Ca 0.05 0.83 -0.01 0.00 -0.96 0.00 0.00 56.93 56.84 2aw2 s PHE 98 Cb -0.12 -2.91 -0.01 0.00 -0.34 0.00 0.00 43.02 39.64 2aw2 s PHE 98 CO -0.04 -0.37 -0.12 0.42 -1.46 0.00 0.00 175.22 173.65 2aw2 s ILE 99 N 2.58 3.06 -0.28 3.12 1.01 0.20 -0.93 121.20 129.97 2aw2 s ILE 99 Ca 0.27 -0.65 -0.12 0.00 0.00 0.00 0.00 60.65 60.16 2aw2 s ILE 99 Cb -0.15 -2.30 -0.05 0.00 0.01 0.00 0.00 42.46 39.97 2aw2 s ILE 99 CO 0.09 0.51 0.22 -0.22 0.00 0.00 0.00 174.94 175.54 2aw2 s LEU 100 N 0.52 4.05 -0.10 2.97 2.96 -0.31 -0.69 118.68 128.08 2aw2 s LEU 100 Ca -0.08 0.01 -0.15 0.00 -0.22 0.00 0.00 54.13 53.69 2aw2 s LEU 100 Cb -0.16 -2.16 -0.05 0.00 0.50 0.00 0.00 46.19 44.33 2aw2 s LEU 100 CO 0.04 -0.08 0.37 -1.00 -1.32 0.00 0.00 176.35 174.36 2aw2 s HIS 101 N 1.80 3.57 -0.30 5.38 3.76 -1.01 -1.50 115.29 126.99 2aw2 s HIS 101 Ca 0.08 0.80 0.01 0.00 -0.15 0.00 0.00 55.06 55.79 2aw2 s HIS 101 Cb -0.16 -2.35 0.06 0.00 1.11 0.00 0.00 32.58 31.24 2aw2 s HIS 101 CO 0.11 0.38 -0.02 -0.06 -0.85 0.00 0.00 174.74 174.30 2aw2 s PHE 102 N -0.08 3.35 -0.41 1.40 0.40 0.96 -4.42 117.98 119.18 2aw2 s PHE 102 Ca 0.21 -2.21 0.05 0.00 -0.60 0.00 0.00 56.93 54.38 2aw2 s PHE 102 Cb -0.15 -2.22 0.18 0.00 0.51 0.00 0.00 43.02 41.34 2aw2 s PHE 102 CO 0.09 -0.86 0.37 -1.91 0.70 0.00 0.00 175.22 173.61 2aw2 n GLU 103 N 4.51 0.27 -2.73 0.44 2.13 -1.26 -1.24 120.64 122.76 2aw2 n GLU 103 Ca -0.11 -3.18 -0.22 0.00 0.66 0.00 0.00 57.16 54.32 2aw2 n GLU 103 Cb 0.43 -1.59 0.09 0.00 0.27 0.00 0.00 31.44 30.63 2aw2 n GLU 103 CO 0.00 0.00 0.00 -1.25 -0.41 0.00 0.00 177.13 175.47 2aw2 s PRO 104 N -0.15 1.90 0.05 5.31 0.04 -1.26 -5.08 135.00 135.81 2aw2 s PRO 104 Ca 0.33 -1.27 -0.31 0.00 0.04 0.00 0.00 61.00 59.80 2aw2 s PRO 104 Cb 0.06 -2.44 -0.06 0.00 0.04 0.00 0.00 34.50 32.10 2aw2 s PRO 104 CO -0.18 -1.23 1.39 0.08 0.04 0.00 0.00 177.00 177.09 2aw2 s VAL 105 N -2.98 3.58 0.41 -0.36 1.01 -0.05 -4.89 120.40 117.13 2aw2 s VAL 105 Ca 0.65 1.05 0.02 0.00 0.00 0.00 0.00 61.98 63.69 2aw2 s VAL 105 Cb -0.06 -3.67 -0.01 0.00 0.00 0.00 0.00 36.38 32.64 2aw2 s VAL 105 CO 0.42 0.03 0.61 -0.76 0.00 0.00 0.00 175.10 175.40 2aw2 s LEU 106 N 1.87 3.77 0.33 3.92 1.43 -1.26 -0.69 118.68 128.04 2aw2 s LEU 106 Ca 0.64 0.18 0.06 0.00 -1.03 0.00 0.00 54.13 53.97 2aw2 s LEU 106 Cb -0.33 -3.07 0.59 0.00 0.03 0.00 0.00 46.19 43.41 2aw2 s LEU 106 CO 0.28 -0.59 1.82 -0.65 0.23 0.00 0.00 176.35 177.44 2aw2 h PRO 107 N 0.56 0.39 0.00 1.29 0.11 -1.94 -2.82 132.00 129.58 2aw2 h PRO 107 Ca -0.46 -0.11 0.00 0.00 0.11 0.00 0.00 66.00 65.53 2aw2 h PRO 107 Cb 1.25 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 32.32 2aw2 h PRO 107 CO 0.57 0.55 0.00 0.09 -0.21 0.00 0.00 178.00 178.99 2aw2 n ASN 108 N -4.20 0.00 0.00 -2.05 3.02 -1.26 -3.26 115.26 107.51 2aw2 n ASN 108 Ca -0.00 -0.12 0.10 0.00 -0.03 0.00 0.00 54.58 54.53 2aw2 n ASN 108 Cb 0.33 -0.25 0.56 0.00 -0.61 0.00 0.00 39.78 39.81 2aw2 n ASN 108 CO 0.00 0.00 0.00 0.47 -2.62 0.00 0.00 177.26 175.11 2aw2 n ASP 109 N -1.25 0.00 -4.43 6.41 8.00 -1.07 -4.82 116.55 119.40 2aw2 n ASP 109 Ca 0.11 -0.31 -0.47 0.00 0.71 0.00 0.00 54.79 54.83 2aw2 n ASP 109 Cb 0.16 -0.15 -0.03 0.00 -0.02 0.00 0.00 41.12 41.09 2aw2 n ASP 109 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 2aw2 n ASN 110 N -1.15 -0.87 0.00 -2.24 3.02 -1.20 -4.78 115.26 108.04 2aw2 n ASN 110 Ca 0.12 1.13 0.00 0.00 -0.03 0.00 0.00 54.58 55.80 2aw2 n ASN 110 Cb 0.12 -1.01 0.00 0.00 -0.61 0.00 0.00 39.78 38.28 2aw2 n ASN 110 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2aw2 n GLY 111 N 1.88 0.91 3.89 7.41 0.00 -0.78 -4.96 105.19 113.54 2aw2 n GLY 111 Ca 0.16 -2.10 -0.33 0.00 0.00 0.00 0.00 46.02 43.75 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 -0.73 6.48 0.04 1.61 0.01 -1.26 -1.12 113.70 118.74 2aw2 s SER 112 Ca 0.00 0.54 0.03 0.00 1.31 0.00 0.00 55.95 57.83 2aw2 s SER 112 Cb 0.00 -2.08 -0.02 0.00 0.21 0.00 0.00 66.02 64.13 2aw2 s SER 112 CO 0.00 0.18 -0.09 -0.31 0.41 0.00 0.00 173.24 173.43 2aw2 s TYR 113 N -1.43 0.78 -0.02 2.43 1.51 0.04 -0.68 117.35 119.99 2aw2 s TYR 113 Ca 0.32 -0.45 -0.03 0.00 -1.01 0.00 0.00 57.07 55.90 2aw2 s TYR 113 Cb -0.13 -0.46 0.00 0.00 -0.11 0.00 0.00 41.96 41.26 2aw2 s TYR 113 CO 0.20 -0.05 0.08 0.50 -1.11 0.00 0.00 175.55 175.17 2aw2 s ARG 114 N -1.48 0.16 0.10 -0.62 3.52 -0.28 -0.78 118.95 119.57 2aw2 s ARG 114 Ca -0.07 -0.00 0.05 0.00 -0.13 0.00 0.00 55.73 55.57 2aw2 s ARG 114 Cb -0.09 0.07 -0.04 0.00 -1.56 0.00 0.00 34.95 33.33 2aw2 s ARG 114 CO 0.01 -0.03 0.02 0.00 -0.81 0.00 0.00 175.30 174.49 2aw2 s SER 116 N -2.44 1.29 -0.09 0.00 0.01 -0.50 -2.06 113.70 109.92 2aw2 s SER 116 Ca 0.27 -0.39 -0.01 0.00 1.31 0.00 0.00 55.95 57.13 2aw2 s SER 116 Cb -0.11 -0.08 0.03 0.00 0.21 0.00 0.00 66.02 66.07 2aw2 s SER 116 CO 0.19 0.00 -0.04 0.00 0.41 0.00 0.00 173.24 173.81 2aw2 s ALA 117 N -0.77 0.97 -0.28 1.44 0.00 -0.86 -1.66 121.76 120.59 2aw2 s ALA 117 Ca -0.00 -0.30 -0.23 0.00 0.00 0.00 0.00 51.96 51.43 2aw2 s ALA 117 Cb -0.07 -0.78 -0.01 0.00 0.00 0.00 0.00 23.12 22.26 2aw2 s ALA 117 CO 0.01 -0.39 0.75 -0.80 0.00 0.00 0.00 175.76 175.33 2aw2 s ASN 118 N 1.76 6.67 -0.11 0.00 0.01 -0.59 -1.67 114.94 121.01 2aw2 s ASN 118 Ca 0.03 0.73 -0.03 0.00 -0.71 0.00 0.00 52.86 52.88 2aw2 s ASN 118 Cb -0.13 -2.39 0.04 0.00 0.41 0.00 0.00 41.25 39.19 2aw2 s ASN 118 CO -0.06 -0.54 0.06 0.72 -1.51 0.00 0.00 177.10 175.77 2aw2 s PHE 119 N 2.82 0.34 -1.15 2.20 -0.71 -0.94 -3.01 117.98 117.53 2aw2 s PHE 119 Ca 0.31 -0.17 -0.16 0.00 -1.04 0.00 0.00 56.93 55.88 2aw2 s PHE 119 Cb -0.15 -0.68 -0.02 0.00 -1.21 0.00 0.00 43.02 40.96 2aw2 s PHE 119 CO 0.11 -0.38 0.79 1.04 -1.34 0.00 0.00 175.22 175.43 2aw2 n GLN 120 N 5.23 -1.78 0.00 1.99 6.02 -1.26 -2.16 117.38 125.43 2aw2 n GLN 120 Ca -0.06 0.54 0.00 0.00 -0.01 0.00 0.00 57.00 57.47 2aw2 n GLN 120 Cb 0.49 -4.52 0.00 0.00 1.02 0.00 0.00 30.24 27.23 2aw2 n GLN 120 CO 0.00 0.00 0.00 0.43 -1.01 0.00 0.00 177.06 176.48 2aw2 n SER 121 N -2.81 0.00 -4.83 1.08 7.64 -1.26 -4.95 113.62 108.49 2aw2 n SER 121 Ca -0.11 0.00 -0.29 0.00 1.01 0.00 0.00 58.87 59.48 2aw2 n SER 121 Cb 0.61 -0.13 0.12 0.00 -1.01 0.00 0.00 64.21 63.79 2aw2 n SER 121 CO 0.00 0.00 0.00 0.20 -3.01 0.00 0.00 175.04 172.23 2aw2 s ASN 122 N -0.61 3.94 -0.05 6.43 0.02 -0.92 -5.07 114.94 118.67 2aw2 s ASN 122 Ca 0.00 0.90 -0.02 0.00 -1.02 0.00 0.00 52.86 52.72 2aw2 s ASN 122 Cb 0.00 -1.45 0.04 0.00 0.02 0.00 0.00 41.25 39.85 2aw2 s ASN 122 CO 0.00 -2.28 0.10 -0.22 0.02 0.00 0.00 177.10 174.73 2aw2 s LEU 123 N -5.85 0.56 -0.20 0.60 0.20 -1.26 -2.20 118.68 110.53 2aw2 s LEU 123 Ca 0.63 0.20 -0.04 0.00 0.69 0.00 0.00 54.13 55.62 2aw2 s LEU 123 Cb -0.13 0.15 -0.01 0.00 -0.43 0.00 0.00 46.19 45.77 2aw2 s LEU 123 CO 0.52 -0.18 -0.04 -0.63 -0.29 0.00 0.00 176.35 175.73 2aw2 s ILE 124 N 1.54 3.48 -0.26 6.68 1.01 -0.67 -4.94 121.20 128.04 2aw2 s ILE 124 Ca -0.04 -0.47 -0.08 0.00 0.00 0.00 0.00 60.65 60.06 2aw2 s ILE 124 Cb -0.12 -2.57 -0.02 0.00 0.01 0.00 0.00 42.46 39.76 2aw2 s ILE 124 CO -0.05 0.44 0.08 -1.61 0.00 0.00 0.00 174.94 173.80 2aw2 s GLU 125 N 1.23 3.56 0.63 2.79 0.41 -1.26 -2.02 118.70 124.03 2aw2 s GLU 125 Ca 0.03 -0.55 -0.11 0.00 -0.41 0.00 0.00 54.97 53.93 2aw2 s GLU 125 Cb -0.14 -3.37 -0.03 0.00 -1.78 0.00 0.00 34.13 28.81 2aw2 s GLU 125 CO -0.01 -0.25 1.04 -1.54 -0.49 0.00 0.00 175.26 174.01 2aw2 s SER 126 N 1.60 6.11 0.47 -0.19 1.04 -0.88 -5.02 113.70 116.84 2aw2 s SER 126 Ca 0.06 1.43 -0.25 0.00 0.48 0.00 0.00 55.95 57.67 2aw2 s SER 126 Cb -0.16 -2.46 -0.08 0.00 0.10 0.00 0.00 66.02 63.43 2aw2 s SER 126 CO 0.04 -0.95 1.41 1.41 0.98 0.00 0.00 173.24 176.13 2aw2 n HIS 127 N -2.80 2.59 -2.23 5.02 8.25 -1.26 -4.76 115.22 120.02 2aw2 n HIS 127 Ca 0.06 0.44 -0.32 0.00 -0.26 0.00 0.00 57.72 57.65 2aw2 n HIS 127 Cb 0.54 -2.44 -0.02 0.00 1.12 0.00 0.00 29.99 29.19 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 -0.55 6.48 0.01 0.41 1.04 -1.26 -4.75 113.70 115.08 2aw2 s SER 128 Ca 0.63 1.50 0.09 0.00 0.48 0.00 0.00 55.95 58.64 2aw2 s SER 128 Cb -0.45 -2.49 -0.02 0.00 0.10 0.00 0.00 66.02 63.16 2aw2 s SER 128 CO 0.56 -0.68 -0.26 0.28 0.98 0.00 0.00 173.24 174.12 2aw2 s THR 129 N -2.81 2.08 -0.23 2.02 -1.32 0.04 -4.02 115.64 111.40 2aw2 s THR 129 Ca 0.57 -1.25 -0.01 0.00 -1.21 0.00 0.00 61.69 59.80 2aw2 s THR 129 Cb -0.10 -1.76 0.02 0.00 -1.51 0.00 0.00 72.50 69.15 2aw2 s THR 129 CO 0.39 0.47 -0.10 -0.89 -2.21 0.00 0.00 174.62 172.28 2aw2 s THR 130 N -0.71 2.65 -0.20 5.08 2.01 -0.24 -0.78 115.64 123.46 2aw2 s THR 130 Ca 0.11 -0.98 -0.21 0.00 0.31 0.00 0.00 61.69 60.91 2aw2 s THR 130 Cb -0.10 -2.28 -0.02 0.00 0.01 0.00 0.00 72.50 70.10 2aw2 s THR 130 CO 0.01 0.31 0.65 -0.76 -0.69 0.00 0.00 174.62 174.13 2aw2 s LEU 131 N 1.32 4.14 -0.54 4.42 1.43 -0.28 -1.64 118.68 127.53 2aw2 s LEU 131 Ca 0.01 0.86 -0.07 0.00 -1.03 0.00 0.00 54.13 53.90 2aw2 s LEU 131 Cb -0.16 -2.92 0.14 0.00 0.03 0.00 0.00 46.19 43.29 2aw2 s LEU 131 CO -0.07 -0.29 0.39 -0.31 0.23 0.00 0.00 176.35 176.30 2aw2 s TYR 132 N 1.97 3.49 -0.11 0.29 2.02 -0.48 -1.87 117.35 122.67 2aw2 s TYR 132 Ca 0.29 -2.23 -0.21 0.00 -0.37 0.00 0.00 57.07 54.56 2aw2 s TYR 132 Cb -0.16 -3.40 -0.04 0.00 -0.40 0.00 0.00 41.96 37.96 2aw2 s TYR 132 CO 0.10 -0.95 0.59 0.08 -1.57 0.00 0.00 175.55 173.80 2aw2 s VAL 133 N 0.79 5.11 -0.17 0.71 1.01 -1.26 -2.58 120.40 124.01 2aw2 s VAL 133 Ca 0.11 1.18 -0.15 0.00 0.00 0.00 0.00 61.98 63.12 2aw2 s VAL 133 Cb -0.22 -3.93 -0.04 0.00 0.00 0.00 0.00 36.38 32.19 2aw2 s VAL 133 CO -0.03 0.27 0.36 0.28 0.00 0.00 0.00 175.10 175.98 2aw2 s THR 134 N 0.87 5.25 -0.97 3.92 -1.32 -0.68 -4.90 115.64 117.82 2aw2 s THR 134 Ca 0.31 0.67 -0.24 0.00 -1.21 0.00 0.00 61.69 61.22 2aw2 s THR 134 Cb -0.16 -3.70 0.03 0.00 -1.51 0.00 0.00 72.50 67.16 2aw2 s THR 134 CO 0.13 0.33 1.55 -0.62 -2.21 0.00 0.00 174.62 173.80 2aw2 s ASP 135 N 0.72 6.18 0.42 8.08 -1.08 -1.26 -1.61 116.67 128.11 2aw2 s ASP 135 Ca 0.19 -1.18 0.08 0.00 -0.52 0.00 0.00 52.55 51.12 2aw2 s ASP 135 Cb -0.14 -2.57 0.88 0.00 -1.46 0.00 0.00 42.92 39.64 2aw2 s ASP 135 CO 0.06 -1.80 2.05 -0.37 0.52 0.00 0.00 175.17 175.63 2aw2 h VAL 136 N 6.84 1.11 -0.55 1.11 -1.51 -1.89 -0.47 116.25 120.87 2aw2 h VAL 136 Ca 0.13 -0.25 0.05 0.00 -1.23 0.00 0.00 66.70 65.40 2aw2 h VAL 136 Cb 1.02 0.64 -0.05 0.00 -2.13 0.00 0.00 31.29 30.77 2aw2 h VAL 136 CO 1.37 0.11 0.29 0.50 -1.23 0.00 0.00 177.57 178.61 2aw2 h LYS 137 N 0.47 0.54 -0.65 5.19 3.64 -1.89 -2.83 116.57 121.04 2aw2 h LYS 137 Ca 0.12 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.47 2aw2 h LYS 137 Cb 0.00 -0.12 0.00 0.00 -0.41 0.00 0.00 32.23 31.70 2aw2 h LYS 137 CO -0.02 0.36 0.00 0.72 -2.27 0.00 0.00 179.45 178.23 2aw2 n HIS 138 N -4.86 0.86 -3.79 1.91 8.25 -0.84 -4.89 115.22 111.87 2aw2 n HIS 138 Ca 0.05 -0.46 -0.35 0.00 -0.26 0.00 0.00 57.72 56.70 2aw2 n HIS 138 Cb 0.14 -0.00 -0.09 0.00 1.12 0.00 0.00 29.99 31.16 2aw2 n HIS 138 CO 0.00 0.00 0.00 -1.58 0.64 0.00 0.00 176.34 175.40 2aw2 s HIS 139 N -1.07 3.31 -0.07 4.41 5.65 -0.24 -5.04 115.29 122.24 2aw2 s HIS 139 Ca 0.45 0.18 -0.00 0.00 0.25 0.00 0.00 55.06 55.94 2aw2 s HIS 139 Cb 0.24 -2.18 0.02 0.00 -1.18 0.00 0.00 32.58 29.49 2aw2 s HIS 139 CO 0.31 0.14 -0.03 -1.01 -0.65 0.00 0.00 174.74 173.50 2aw2 s HIS 140 N 0.65 0.84 -0.13 3.88 0.09 -1.26 -4.87 115.29 114.49 2aw2 s HIS 140 Ca 0.06 -0.27 -0.25 0.00 -0.00 0.00 0.00 55.06 54.60 2aw2 s HIS 140 Cb -0.12 -0.81 -0.02 0.00 -0.00 0.00 0.00 32.58 31.62 2aw2 s HIS 140 CO 0.01 -0.30 0.81 -1.01 -0.00 0.00 0.00 174.74 174.26 2aw2 s HIS 141 N 1.48 3.48 -0.08 1.40 3.76 -1.26 -4.96 115.29 119.10 2aw2 s HIS 141 Ca -0.02 1.29 -0.09 0.00 -0.15 0.00 0.00 55.06 56.09 2aw2 s HIS 141 Cb -0.13 -2.97 -0.29 0.00 1.11 0.00 0.00 32.58 30.30 2aw2 s HIS 141 CO -0.03 -0.14 0.53 0.45 -0.85 0.00 0.00 174.74 174.70 2aw2 h HIS 142 N 7.15 0.61 0.00 1.40 3.86 -2.07 -3.57 115.15 122.53 2aw2 h HIS 142 Ca -0.33 -0.45 0.00 0.00 -1.16 0.00 0.00 60.37 58.43 2aw2 h HIS 142 Cb 1.16 -0.02 0.00 0.00 1.06 0.00 0.00 27.41 29.60 2aw2 h HIS 142 CO 0.70 1.73 0.00 -2.39 0.86 0.00 0.00 177.93 178.83