#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2b46 s SER 2 N 0.00 4.08 0.36 0.00 1.04 -1.26 -4.97 113.70 112.96 2b46 s SER 2 Ca 0.00 0.21 -0.25 0.00 0.48 0.00 0.00 55.95 56.39 2b46 s SER 2 Cb 0.00 -0.57 -0.10 0.00 0.10 0.00 0.00 66.02 65.46 2b46 s SER 2 CO 0.00 -2.08 1.00 0.42 0.98 0.00 0.00 173.24 173.56 2b46 s THR 3 N -3.47 3.96 0.00 2.02 -4.23 -1.26 -4.96 115.64 107.71 2b46 s THR 3 Ca 0.67 1.56 0.00 0.00 -1.18 0.00 0.00 61.69 62.74 2b46 s THR 3 Cb -0.07 -3.84 0.00 0.00 1.34 0.00 0.00 72.50 69.93 2b46 s THR 3 CO 0.48 0.07 0.70 -0.90 -0.54 0.00 0.00 174.62 174.43 2b46 n ASP 4 N 0.25 0.95 -3.99 3.99 5.68 -0.35 -4.96 116.55 118.11 2b46 n ASP 4 Ca 0.03 -1.45 -0.17 0.00 -0.50 0.00 0.00 54.79 52.70 2b46 n ASP 4 Cb 0.50 0.00 -0.14 0.00 -1.14 0.00 0.00 41.12 40.33 2b46 n ASP 4 CO 0.00 0.00 0.00 -0.47 -1.33 0.00 0.00 177.20 175.40 2b46 s TYR 5 N -0.45 0.62 -0.19 2.11 5.04 -0.54 -4.67 117.35 119.26 2b46 s TYR 5 Ca 0.00 -0.12 0.01 0.00 -2.44 0.00 0.00 57.07 54.52 2b46 s TYR 5 Cb 0.00 -0.40 0.03 0.00 0.35 0.00 0.00 41.96 41.94 2b46 s TYR 5 CO 0.00 -0.01 -0.17 -0.46 -1.34 0.00 0.00 175.55 173.57 2b46 s TRP 6 N -0.18 2.70 -0.18 4.97 -0.00 -1.26 -1.51 118.94 123.47 2b46 s TRP 6 Ca 0.02 -1.65 -0.09 0.00 -0.00 0.00 0.00 56.10 54.39 2b46 s TRP 6 Cb -0.03 -1.84 -0.05 0.00 -0.00 0.00 0.00 33.47 31.56 2b46 s TRP 6 CO -0.00 -0.79 0.11 -1.14 -0.00 0.00 0.00 176.95 175.13 2b46 s GLN 7 N 1.31 4.01 -0.49 5.86 2.00 0.19 -4.99 119.66 127.54 2b46 s GLN 7 Ca 0.03 -0.25 0.07 0.00 -2.00 0.00 0.00 55.36 53.21 2b46 s GLN 7 Cb -0.14 -3.32 0.19 0.00 0.80 0.00 0.00 33.01 30.54 2b46 s GLN 7 CO -0.11 0.36 0.70 1.21 -0.50 0.00 0.00 175.29 176.95 2b46 s ASN 8 N 0.16 -1.41 -0.12 6.67 3.04 -1.24 -1.53 114.94 120.51 2b46 s ASN 8 Ca 0.08 -1.56 0.01 0.00 0.04 0.00 0.00 52.86 51.44 2b46 s ASN 8 Cb -0.11 1.87 -0.01 0.00 -1.54 0.00 0.00 41.25 41.46 2b46 s ASN 8 CO -0.01 -0.08 -0.17 0.86 -3.04 0.00 0.00 177.10 174.66 2b46 s TRP 9 N 1.07 2.72 0.14 0.43 -0.00 -0.58 -5.02 118.94 117.70 2b46 s TRP 9 Ca 0.27 -0.81 0.05 0.00 -0.00 0.00 0.00 56.10 55.61 2b46 s TRP 9 Cb -0.01 -1.80 -0.04 0.00 -0.00 0.00 0.00 33.47 31.62 2b46 s TRP 9 CO -0.06 -0.30 -0.12 0.95 -0.00 0.00 0.00 176.95 177.43 2b46 s THR 10 N 0.37 1.23 -0.15 5.86 -4.23 -1.26 -1.05 115.64 116.40 2b46 s THR 10 Ca -0.14 -1.91 -0.26 0.00 -1.18 0.00 0.00 61.69 58.20 2b46 s THR 10 Cb -0.17 -1.69 0.06 0.00 1.34 0.00 0.00 72.50 72.05 2b46 s THR 10 CO 0.07 -0.61 0.66 0.12 -0.54 0.00 0.00 174.62 174.31 2b46 s PHE 11 N -2.81 -0.67 0.00 3.99 5.36 -0.41 -4.99 117.98 118.45 2b46 s PHE 11 Ca 0.13 1.42 0.00 0.00 -0.96 0.00 0.00 56.93 57.52 2b46 s PHE 11 Cb -0.01 0.31 0.00 0.00 -0.34 0.00 0.00 43.02 42.99 2b46 s PHE 11 CO 0.02 -0.47 0.00 0.41 -1.46 0.00 0.00 175.22 173.72 2b46 n GLY 12 N 1.83 1.10 0.00 13.12 0.00 -1.26 -0.69 105.19 119.28 2b46 n GLY 12 Ca -0.17 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.85 2b46 n GLY 12 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2b46 n GLY 13 N -2.00 0.85 7.00 -0.02 0.00 -1.26 -4.26 105.19 105.49 2b46 n GLY 13 Ca 0.00 -2.25 0.00 0.00 0.00 0.00 0.00 46.02 43.77 2b46 n GLY 13 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2b46 n GLY 14 N -1.07 -0.59 3.11 -0.02 0.00 -1.24 -1.85 105.19 103.54 2b46 n GLY 14 Ca 0.00 -1.13 -0.26 0.00 0.00 0.00 0.00 46.02 44.63 2b46 n GLY 14 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2b46 s ILE 15 N 0.00 1.39 -0.33 -0.61 1.01 -0.79 -4.93 121.20 116.94 2b46 s ILE 15 Ca 0.00 -0.68 -0.01 0.00 0.00 0.00 0.00 60.65 59.96 2b46 s ILE 15 Cb 0.00 -1.21 0.12 0.00 0.01 0.00 0.00 42.46 41.38 2b46 s ILE 15 CO 0.00 0.41 0.16 -0.69 0.00 0.00 0.00 174.94 174.81 2b46 s VAL 16 N 0.18 0.45 -0.88 2.92 1.01 -1.26 -1.42 120.40 121.41 2b46 s VAL 16 Ca -0.07 -1.45 -0.25 0.00 0.00 0.00 0.00 61.98 60.22 2b46 s VAL 16 Cb -0.13 -1.35 0.04 0.00 0.00 0.00 0.00 36.38 34.95 2b46 s VAL 16 CO 0.03 -0.81 1.34 0.21 0.00 0.00 0.00 175.10 175.87 2b46 s ASN 17 N 1.44 6.34 -0.20 3.32 3.04 0.82 -4.95 114.94 124.75 2b46 s ASN 17 Ca 0.13 -1.01 -0.15 0.00 0.04 0.00 0.00 52.86 51.87 2b46 s ASN 17 Cb -0.19 -2.55 -0.04 0.00 -1.54 0.00 0.00 41.25 36.92 2b46 s ASN 17 CO -0.18 -1.64 0.35 0.00 -3.04 0.00 0.00 177.10 172.60 2b46 s ALA 18 N 5.20 3.57 -0.21 1.71 0.00 -1.26 -0.95 121.76 129.81 2b46 s ALA 18 Ca 0.40 -0.55 -0.03 0.00 0.00 0.00 0.00 51.96 51.78 2b46 s ALA 18 Cb -0.04 -2.56 -0.00 0.00 0.00 0.00 0.00 23.12 20.52 2b46 s ALA 18 CO 0.02 -0.21 -0.08 0.08 0.00 0.00 0.00 175.76 175.56 2b46 s VAL 19 N 1.12 3.03 -0.79 0.00 1.01 -0.16 -4.99 120.40 119.62 2b46 s VAL 19 Ca 0.17 -0.61 -0.23 0.00 0.00 0.00 0.00 61.98 61.32 2b46 s VAL 19 Cb -0.14 -2.36 0.07 0.00 0.00 0.00 0.00 36.38 33.95 2b46 s VAL 19 CO 0.07 0.45 1.14 0.21 0.00 0.00 0.00 175.10 176.97 2b46 s ASN 20 N 1.41 6.32 0.17 3.32 3.84 -1.26 -1.96 114.94 126.78 2b46 s ASN 20 Ca 0.05 -1.17 0.00 0.00 0.21 0.00 0.00 52.86 51.95 2b46 s ASN 20 Cb -0.14 -2.47 0.00 0.00 -0.55 0.00 0.00 41.25 38.09 2b46 s ASN 20 CO -0.06 -1.46 0.00 0.61 -2.79 0.00 0.00 177.10 173.41 2b46 n GLY 21 N 5.62 0.51 3.76 1.21 0.00 -0.17 -5.00 105.19 111.12 2b46 n GLY 21 Ca 0.09 -1.86 -0.39 0.00 0.00 0.00 0.00 46.02 43.86 2b46 n GLY 21 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2b46 s SER 22 N -1.00 7.20 1.37 1.61 0.01 -1.26 -4.53 113.70 117.10 2b46 s SER 22 Ca 0.00 2.16 0.00 0.00 1.31 0.00 0.00 55.95 59.42 2b46 s SER 22 Cb 0.00 -2.61 0.00 0.00 0.21 0.00 0.00 66.02 63.62 2b46 s SER 22 CO 0.00 -0.18 0.00 0.61 0.41 0.00 0.00 173.24 174.08 2b46 n GLY 23 N 1.02 2.26 1.42 3.44 0.00 -1.26 -1.50 105.19 110.57 2b46 n GLY 23 Ca 0.00 -0.39 0.06 0.00 0.00 0.00 0.00 46.02 45.69 2b46 n GLY 23 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2b46 n GLY 24 N 0.00 2.36 3.82 -0.02 0.00 -1.26 -4.93 105.19 105.17 2b46 n GLY 24 Ca 0.00 -0.67 -0.37 0.00 0.00 0.00 0.00 46.02 44.98 2b46 n GLY 24 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 2b46 s ASN 25 N -0.68 7.00 0.13 1.61 3.84 -0.56 -0.73 114.94 125.56 2b46 s ASN 25 Ca 0.40 1.24 -0.10 0.00 0.21 0.00 0.00 52.86 54.61 2b46 s ASN 25 Cb 0.28 -2.35 -0.00 0.00 -0.55 0.00 0.00 41.25 38.63 2b46 s ASN 25 CO 0.15 0.18 0.27 -0.72 -2.79 0.00 0.00 177.10 174.19 2b46 s TYR 26 N -1.28 0.22 0.16 0.43 -0.85 0.09 -1.00 117.35 115.12 2b46 s TYR 26 Ca 0.34 -0.61 0.04 0.00 -0.52 0.00 0.00 57.07 56.32 2b46 s TYR 26 Cb -0.18 -0.01 -0.05 0.00 0.38 0.00 0.00 41.96 42.11 2b46 s TYR 26 CO 0.20 -0.66 -0.08 -1.54 -1.52 0.00 0.00 175.55 171.94 2b46 s SER 27 N -2.91 1.83 -0.01 -0.18 1.04 -0.83 -1.10 113.70 111.54 2b46 s SER 27 Ca 0.11 -1.05 0.00 0.00 0.48 0.00 0.00 55.95 55.49 2b46 s SER 27 Cb 0.04 -0.01 0.02 0.00 0.10 0.00 0.00 66.02 66.16 2b46 s SER 27 CO -0.06 -0.36 -0.00 -0.69 0.98 0.00 0.00 173.24 173.11 2b46 s VAL 28 N -3.33 0.10 -0.10 5.02 1.01 -0.23 -0.99 120.40 121.88 2b46 s VAL 28 Ca 0.19 0.05 0.02 0.00 0.00 0.00 0.00 61.98 62.24 2b46 s VAL 28 Cb 0.03 -0.16 0.01 0.00 0.00 0.00 0.00 36.38 36.26 2b46 s VAL 28 CO 0.02 0.08 -0.17 0.20 0.00 0.00 0.00 175.10 175.24 2b46 s ASN 29 N 0.56 2.50 0.04 3.32 0.01 -0.13 -0.63 114.94 120.62 2b46 s ASN 29 Ca -0.05 -0.45 0.03 0.00 -0.71 0.00 0.00 52.86 51.68 2b46 s ASN 29 Cb -0.08 -1.13 -0.02 0.00 0.41 0.00 0.00 41.25 40.43 2b46 s ASN 29 CO -0.01 0.05 -0.08 -1.66 -1.51 0.00 0.00 177.10 173.88 2b46 s TRP 30 N 0.82 0.72 -0.05 2.20 -2.14 -0.35 -0.12 118.94 120.00 2b46 s TRP 30 Ca -0.10 -0.41 -0.03 0.00 2.66 0.00 0.00 56.10 58.22 2b46 s TRP 30 Cb -0.16 -0.43 0.03 0.00 -3.10 0.00 0.00 33.47 29.81 2b46 s TRP 30 CO 0.01 -0.05 0.12 -1.54 -2.66 0.00 0.00 176.95 172.83 2b46 s SER 31 N -1.29 -0.09 -1.40 -2.66 1.04 -0.51 -0.34 113.70 108.45 2b46 s SER 31 Ca -0.06 0.25 -0.07 0.00 0.48 0.00 0.00 55.95 56.55 2b46 s SER 31 Cb -0.08 0.17 0.04 0.00 0.10 0.00 0.00 66.02 66.24 2b46 s SER 31 CO 0.00 -0.11 0.91 0.59 0.98 0.00 0.00 173.24 175.61 2b46 n ASN 32 N 3.86 -3.47 -4.79 7.02 5.03 -0.33 -1.88 115.26 120.71 2b46 n ASN 32 Ca -0.23 -0.75 -0.30 0.00 0.87 0.00 0.00 54.58 54.18 2b46 n ASN 32 Cb 0.54 -4.22 0.10 0.00 -1.02 0.00 0.00 39.78 35.17 2b46 n ASN 32 CO 0.00 0.00 0.00 0.42 -1.83 0.00 0.00 177.26 175.85 2b46 s THR 33 N -3.44 3.06 0.00 3.41 -4.23 -0.64 -3.62 115.64 110.17 2b46 s THR 33 Ca 0.35 0.34 0.00 0.00 -1.18 0.00 0.00 61.69 61.21 2b46 s THR 33 Cb -0.17 -3.05 0.00 0.00 1.34 0.00 0.00 72.50 70.62 2b46 s THR 33 CO 0.80 -0.45 0.00 0.61 -0.54 0.00 0.00 174.62 175.04 2b46 n GLY 34 N -1.94 0.85 3.91 3.99 0.00 -0.77 -2.86 105.19 108.36 2b46 n GLY 34 Ca 0.07 -0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.77 2b46 n GLY 34 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2b46 s ASN 35 N -1.01 6.34 -0.02 1.61 0.01 0.13 -0.72 114.94 121.28 2b46 s ASN 35 Ca 0.00 0.29 -0.26 0.00 -0.71 0.00 0.00 52.86 52.18 2b46 s ASN 35 Cb 0.00 -1.96 0.06 0.00 0.41 0.00 0.00 41.25 39.76 2b46 s ASN 35 CO 0.00 0.20 0.57 0.72 -1.51 0.00 0.00 177.10 177.07 2b46 s PHE 36 N -1.45 -0.51 -0.12 2.20 -0.12 -0.82 -1.29 117.98 115.87 2b46 s PHE 36 Ca 0.33 0.81 -0.02 0.00 -0.05 0.00 0.00 56.93 57.99 2b46 s PHE 36 Cb -0.13 0.33 0.04 0.00 -0.63 0.00 0.00 43.02 42.63 2b46 s PHE 36 CO 0.25 -0.57 0.01 0.08 -0.05 0.00 0.00 175.22 174.94 2b46 s VAL 37 N -1.47 0.45 -0.00 -2.49 1.01 -0.21 -1.77 120.40 115.91 2b46 s VAL 37 Ca -0.10 -0.14 0.07 0.00 0.00 0.00 0.00 61.98 61.81 2b46 s VAL 37 Cb -0.01 -0.73 -0.03 0.00 0.00 0.00 0.00 36.38 35.61 2b46 s VAL 37 CO 0.06 0.09 -0.21 -0.69 0.00 0.00 0.00 175.10 174.35 2b46 s VAL 38 N 1.93 2.49 0.00 2.92 1.01 -0.25 -1.52 120.40 126.97 2b46 s VAL 38 Ca 0.03 -1.09 0.00 0.00 0.00 0.00 0.00 61.98 60.92 2b46 s VAL 38 Cb -0.14 -1.96 0.00 0.00 0.00 0.00 0.00 36.38 34.28 2b46 s VAL 38 CO -0.06 0.48 0.00 0.61 0.00 0.00 0.00 175.10 176.13 2b46 n GLY 39 N 2.07 0.49 3.43 4.51 0.00 -0.58 -0.04 105.19 115.08 2b46 n GLY 39 Ca -0.16 -0.78 -0.29 0.00 0.00 0.00 0.00 46.02 44.78 2b46 n GLY 39 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2b46 s LYS 40 N -2.00 1.57 0.00 1.61 1.02 -1.22 -0.64 119.74 120.08 2b46 s LYS 40 Ca 0.00 -1.29 0.00 0.00 0.02 0.00 0.00 55.97 54.70 2b46 s LYS 40 Cb 0.00 -1.98 0.00 0.00 -0.52 0.00 0.00 37.83 35.33 2b46 s LYS 40 CO 0.00 0.46 0.00 0.41 -0.92 0.00 0.00 175.35 175.30 2b46 n GLY 41 N 0.81 -0.61 3.10 -3.33 0.00 -0.57 -1.26 105.19 103.32 2b46 n GLY 41 Ca -0.17 0.22 -0.20 0.00 0.00 0.00 0.00 46.02 45.87 2b46 n GLY 41 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 2b46 s TRP 42 N -0.56 1.12 0.35 1.61 0.51 0.10 -1.22 118.94 120.86 2b46 s TRP 42 Ca 0.00 -0.26 0.04 0.00 -2.12 0.00 0.00 56.10 53.75 2b46 s TRP 42 Cb 0.00 -0.70 0.67 0.00 -0.81 0.00 0.00 33.47 32.63 2b46 s TRP 42 CO 0.00 -0.00 1.98 1.15 -0.51 0.00 0.00 176.95 179.57 2b46 h THR 43 N 4.72 1.09 -3.68 2.01 2.02 -1.87 -1.03 112.91 116.17 2b46 h THR 43 Ca -0.35 -0.29 -0.65 0.00 0.77 0.00 0.00 66.41 65.89 2b46 h THR 43 Cb 1.17 0.19 -0.37 0.00 -1.74 0.00 0.00 68.15 67.40 2b46 h THR 43 CO 0.47 0.15 -0.81 -0.89 0.37 0.00 0.00 175.52 174.82 2b46 s THR 44 N -5.72 1.98 0.73 3.16 2.01 -1.26 -3.15 115.64 113.40 2b46 s THR 44 Ca -0.10 -1.41 -0.12 0.00 0.31 0.00 0.00 61.69 60.37 2b46 s THR 44 Cb 0.19 -2.08 0.04 0.00 0.01 0.00 0.00 72.50 70.65 2b46 s THR 44 CO 0.77 0.05 1.10 -0.83 -0.69 0.00 0.00 174.62 175.02 2b46 s GLY 45 N 1.21 1.87 0.02 4.40 0.00 -0.01 -4.83 107.32 109.98 2b46 s GLY 45 Ca -0.06 0.39 0.02 0.00 0.00 0.00 0.00 44.72 45.08 2b46 s GLY 45 CO -0.07 0.74 -0.08 -0.45 0.00 0.00 0.00 173.10 173.25 2b46 s SER 46 N -3.05 0.89 0.22 1.64 0.15 -1.26 -4.80 113.70 107.49 2b46 s SER 46 Ca 0.64 -0.37 0.23 0.00 0.70 0.00 0.00 55.95 57.15 2b46 s SER 46 Cb -0.19 -0.02 0.92 0.00 -1.71 0.00 0.00 66.02 65.02 2b46 s SER 46 CO 0.50 -0.07 1.70 -0.81 1.20 0.00 0.00 173.24 175.77 2b46 n PRO 47 N 2.07 0.18 0.00 5.44 -0.04 -1.26 -3.34 135.00 138.05 2b46 n PRO 47 Ca -0.18 0.36 0.11 0.00 -0.04 0.00 0.00 63.50 63.74 2b46 n PRO 47 Cb 0.56 -1.81 0.06 0.00 -0.04 0.00 0.00 33.50 32.26 2b46 n PRO 47 CO 0.00 0.00 0.00 1.19 -0.04 0.00 0.00 175.50 176.65 2b46 n PHE 48 N -2.15 0.00 -2.36 0.54 3.72 -1.26 -2.62 117.46 113.33 2b46 n PHE 48 Ca 0.03 0.00 -0.41 0.00 -0.05 0.00 0.00 57.45 57.02 2b46 n PHE 48 Cb 0.26 0.00 -0.03 0.00 -0.94 0.00 0.00 39.48 38.77 2b46 n PHE 48 CO 0.00 0.00 0.00 0.50 -0.05 0.00 0.00 176.76 177.21 2b46 s ARG 49 N -1.98 4.50 -0.35 -1.08 3.52 -1.21 -4.81 118.95 117.53 2b46 s ARG 49 Ca 0.22 1.91 -0.13 0.00 -0.13 0.00 0.00 55.73 57.60 2b46 s ARG 49 Cb 0.17 -3.21 -0.01 0.00 -1.56 0.00 0.00 34.95 30.34 2b46 s ARG 49 CO 0.36 -0.06 0.25 0.99 -0.81 0.00 0.00 175.30 176.02 2b46 s THR 50 N -0.30 5.26 -0.17 4.11 2.01 -1.26 -2.93 115.64 122.37 2b46 s THR 50 Ca 0.52 -0.28 -0.21 0.00 0.31 0.00 0.00 61.69 62.03 2b46 s THR 50 Cb -0.33 -3.73 -0.03 0.00 0.01 0.00 0.00 72.50 68.41 2b46 s THR 50 CO 0.39 -0.05 0.62 -0.63 -0.69 0.00 0.00 174.62 174.26 2b46 s ILE 51 N 1.71 5.04 -0.09 1.82 1.09 -0.71 -4.93 121.20 125.14 2b46 s ILE 51 Ca 0.06 1.21 -0.04 0.00 -1.10 0.00 0.00 60.65 60.78 2b46 s ILE 51 Cb -0.18 -3.95 -0.04 0.00 -1.06 0.00 0.00 42.46 37.24 2b46 s ILE 51 CO 0.10 0.16 0.06 0.20 -0.10 0.00 0.00 174.94 175.36 2b46 s ASN 52 N 1.06 5.71 0.15 3.58 0.01 0.51 -0.27 114.94 125.68 2b46 s ASN 52 Ca 0.30 0.26 -0.16 0.00 -0.71 0.00 0.00 52.86 52.56 2b46 s ASN 52 Cb -0.16 -1.71 0.03 0.00 0.41 0.00 0.00 41.25 39.82 2b46 s ASN 52 CO 0.12 0.38 0.42 -0.72 -1.51 0.00 0.00 177.10 175.78 2b46 s TYR 53 N -0.97 -0.12 -0.13 2.20 1.13 -0.32 -0.66 117.35 118.47 2b46 s TYR 53 Ca 0.15 -0.21 -0.04 0.00 -1.41 0.00 0.00 57.07 55.56 2b46 s TYR 53 Cb -0.12 0.26 0.05 0.00 -1.10 0.00 0.00 41.96 41.06 2b46 s TYR 53 CO 0.04 -0.76 0.09 1.21 -2.51 0.00 0.00 175.55 173.63 2b46 s ASN 54 N -2.84 1.87 -0.87 -0.18 3.04 0.01 -0.20 114.94 115.76 2b46 s ASN 54 Ca 0.06 -0.35 -0.21 0.00 0.04 0.00 0.00 52.86 52.40 2b46 s ASN 54 Cb 0.01 -0.15 0.09 0.00 -1.54 0.00 0.00 41.25 39.66 2b46 s ASN 54 CO -0.08 -0.32 1.19 0.00 -3.04 0.00 0.00 177.10 174.85 2b46 s ALA 55 N 2.17 3.08 0.38 1.71 0.00 -1.26 -0.99 121.76 126.84 2b46 s ALA 55 Ca 0.03 -2.30 0.10 0.00 0.00 0.00 0.00 51.96 49.79 2b46 s ALA 55 Cb -0.15 -4.15 0.76 0.00 0.00 0.00 0.00 23.12 19.58 2b46 s ALA 55 CO -0.07 -3.13 1.89 0.78 0.00 0.00 0.00 175.76 175.23 2b46 h GLY 56 N 11.49 0.22 -6.71 0.00 0.00 -1.08 -0.28 103.07 106.71 2b46 h GLY 56 Ca 0.03 -0.14 -0.52 0.00 0.00 0.00 0.00 47.33 46.70 2b46 h GLY 56 CO 1.22 0.13 -0.80 0.14 0.00 0.00 0.00 176.54 177.24 2b46 s VAL 57 N -4.62 0.95 -0.37 4.60 1.01 -0.93 -4.75 120.40 116.29 2b46 s VAL 57 Ca -0.05 -0.24 0.03 0.00 0.00 0.00 0.00 61.98 61.71 2b46 s VAL 57 Cb 0.15 -0.99 0.11 0.00 0.00 0.00 0.00 36.38 35.65 2b46 s VAL 57 CO 0.73 0.35 0.12 0.86 0.00 0.00 0.00 175.10 177.16 2b46 s TRP 58 N 1.74 2.94 -0.41 5.22 -0.11 -1.26 -0.80 118.94 126.26 2b46 s TRP 58 Ca 0.05 -2.64 0.10 0.00 1.22 0.00 0.00 56.10 54.83 2b46 s TRP 58 Cb -0.13 -2.48 0.32 0.00 -1.50 0.00 0.00 33.47 29.69 2b46 s TRP 58 CO -0.08 -0.88 0.72 0.00 -4.62 0.00 0.00 176.95 172.09 2b46 n ALA 59 N 4.14 2.53 -1.77 5.86 0.00 -0.09 -5.03 120.51 126.15 2b46 n ALA 59 Ca 0.03 -3.63 -0.40 0.00 0.00 0.00 0.00 53.44 49.44 2b46 n ALA 59 Cb 0.40 -0.88 -0.02 0.00 0.00 0.00 0.00 19.45 18.94 2b46 n ALA 59 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 2b46 s PRO 60 N -2.32 4.38 -0.60 0.00 0.04 -1.26 -1.03 135.00 134.21 2b46 s PRO 60 Ca 0.40 2.10 0.04 0.00 0.04 0.00 0.00 61.00 63.58 2b46 s PRO 60 Cb 0.30 -3.05 0.15 0.00 0.04 0.00 0.00 34.50 31.93 2b46 s PRO 60 CO -0.09 -0.12 0.37 1.21 0.04 0.00 0.00 177.00 178.40 2b46 s ASN 61 N -0.63 4.60 0.00 6.66 2.47 0.14 -4.93 114.94 123.24 2b46 s ASN 61 Ca 0.49 -3.33 0.00 0.00 0.42 0.00 0.00 52.86 50.44 2b46 s ASN 61 Cb -0.37 -1.66 0.00 0.00 -1.45 0.00 0.00 41.25 37.77 2b46 s ASN 61 CO 0.49 -0.19 0.00 0.61 -3.72 0.00 0.00 177.10 174.30 2b46 n GLY 62 N 2.70 0.35 3.45 1.21 0.00 -1.26 -2.19 105.19 109.46 2b46 n GLY 62 Ca 0.11 -1.82 -0.43 0.00 0.00 0.00 0.00 46.02 43.88 2b46 n GLY 62 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 2b46 s ASN 63 N -4.00 6.21 0.06 1.61 2.47 -1.26 -2.40 114.94 117.63 2b46 s ASN 63 Ca 0.00 -0.95 0.02 0.00 0.42 0.00 0.00 52.86 52.35 2b46 s ASN 63 Cb 0.00 -2.38 -0.03 0.00 -1.45 0.00 0.00 41.25 37.39 2b46 s ASN 63 CO 0.00 -1.26 -0.07 -0.83 -3.72 0.00 0.00 177.10 171.21 2b46 s GLY 64 N 3.38 0.60 -0.03 1.21 0.00 -1.26 -1.88 107.32 109.34 2b46 s GLY 64 Ca 0.21 -0.99 0.05 0.00 0.00 0.00 0.00 44.72 43.99 2b46 s GLY 64 CO 0.11 -1.06 -0.18 -0.19 0.00 0.00 0.00 173.10 171.79 2b46 s TYR 65 N -2.25 2.59 -0.39 1.90 2.02 0.29 -1.71 117.35 119.81 2b46 s TYR 65 Ca -0.02 -0.24 -0.10 0.00 -0.37 0.00 0.00 57.07 56.35 2b46 s TYR 65 Cb -0.04 -1.58 0.05 0.00 -0.40 0.00 0.00 41.96 39.99 2b46 s TYR 65 CO -0.02 0.14 0.22 -1.17 -1.57 0.00 0.00 175.55 173.15 2b46 s LEU 66 N -0.78 4.86 -0.21 -1.29 2.96 -0.44 -1.21 118.68 122.58 2b46 s LEU 66 Ca 0.11 -1.22 -0.19 0.00 -0.22 0.00 0.00 54.13 52.62 2b46 s LEU 66 Cb -0.10 -1.99 0.05 0.00 0.50 0.00 0.00 46.19 44.65 2b46 s LEU 66 CO 0.01 -0.44 0.55 0.28 -1.32 0.00 0.00 176.35 175.42 2b46 s THR 67 N 1.49 -0.00 0.42 3.68 -1.32 -0.55 -0.81 115.64 118.55 2b46 s THR 67 Ca 0.02 0.00 -0.26 0.00 -1.21 0.00 0.00 61.69 60.24 2b46 s THR 67 Cb -0.21 -0.77 -0.09 0.00 -1.51 0.00 0.00 72.50 69.93 2b46 s THR 67 CO 0.04 0.00 1.39 -0.22 -2.21 0.00 0.00 174.62 173.62 2b46 s LEU 68 N 0.35 4.19 -0.12 9.08 2.96 -0.40 0.50 118.68 135.23 2b46 s LEU 68 Ca -0.01 2.84 -0.08 0.00 -0.22 0.00 0.00 54.13 56.66 2b46 s LEU 68 Cb -0.04 -3.88 0.04 0.00 0.50 0.00 0.00 46.19 42.81 2b46 s LEU 68 CO -0.00 -1.00 0.31 -0.47 -1.32 0.00 0.00 176.35 173.86 2b46 s TYR 69 N -1.21 -0.40 0.02 5.38 5.04 0.45 -2.16 117.35 124.48 2b46 s TYR 69 Ca 0.58 0.92 -0.29 0.00 -2.44 0.00 0.00 57.07 55.84 2b46 s TYR 69 Cb -0.42 0.13 0.11 0.00 0.35 0.00 0.00 41.96 42.12 2b46 s TYR 69 CO 0.55 -0.23 1.18 0.20 -1.34 0.00 0.00 175.55 175.90 2b46 s GLY 70 N 0.89 -0.36 0.07 8.97 0.00 -0.94 -0.38 107.32 115.58 2b46 s GLY 70 Ca -0.06 0.61 0.06 0.00 0.00 0.00 0.00 44.72 45.33 2b46 s GLY 70 CO -0.06 0.12 -0.15 -0.98 0.00 0.00 0.00 173.10 172.03 2b46 s TRP 71 N -2.69 1.30 0.26 1.90 0.52 -0.98 -0.55 118.94 118.70 2b46 s TRP 71 Ca 0.13 -0.44 0.11 0.00 0.02 0.00 0.00 56.10 55.92 2b46 s TRP 71 Cb 0.02 -0.73 -0.05 0.00 -1.15 0.00 0.00 33.47 31.57 2b46 s TRP 71 CO -0.02 0.08 -0.16 0.95 0.02 0.00 0.00 176.95 177.82 2b46 s THR 72 N -1.22 2.72 0.36 2.01 -4.23 -0.20 -2.13 115.64 112.95 2b46 s THR 72 Ca -0.00 -2.21 0.08 0.00 -1.18 0.00 0.00 61.69 58.37 2b46 s THR 72 Cb -0.10 -2.41 -0.04 0.00 1.34 0.00 0.00 72.50 71.29 2b46 s THR 72 CO 0.02 -0.34 0.20 -0.13 -0.54 0.00 0.00 174.62 173.83 2b46 s ARG 73 N -3.40 2.42 -0.58 3.99 0.52 0.14 -1.16 118.95 120.88 2b46 s ARG 73 Ca 0.29 -1.56 -0.02 0.00 -0.52 0.00 0.00 55.73 53.92 2b46 s ARG 73 Cb -0.06 -2.21 -0.03 0.00 0.52 0.00 0.00 34.95 33.17 2b46 s ARG 73 CO 0.15 0.03 0.50 0.43 0.02 0.00 0.00 175.30 176.43 2b46 n SER 74 N -1.25 -3.69 -4.74 0.23 7.64 -1.26 -1.87 113.62 108.68 2b46 n SER 74 Ca -0.02 -0.36 -0.23 0.00 1.01 0.00 0.00 58.87 59.28 2b46 n SER 74 Cb 0.62 -2.98 0.10 0.00 -1.01 0.00 0.00 64.21 60.93 2b46 n SER 74 CO 0.00 0.00 0.00 -2.16 -3.01 0.00 0.00 175.04 169.87 2b46 s PRO 75 N -4.05 1.76 -0.30 1.43 0.04 -1.26 -2.49 135.00 130.13 2b46 s PRO 75 Ca 0.17 -1.26 -0.29 0.00 0.04 0.00 0.00 61.00 59.66 2b46 s PRO 75 Cb -0.02 -2.40 -0.01 0.00 0.04 0.00 0.00 34.50 32.11 2b46 s PRO 75 CO 0.39 -1.36 1.63 -1.17 0.04 0.00 0.00 177.00 176.53 2b46 s LEU 76 N -5.05 3.68 -0.03 -3.56 2.96 -1.26 -4.06 118.68 111.36 2b46 s LEU 76 Ca 0.66 1.32 0.02 0.00 -0.22 0.00 0.00 54.13 55.91 2b46 s LEU 76 Cb -0.05 -3.53 0.01 0.00 0.50 0.00 0.00 46.19 43.12 2b46 s LEU 76 CO 0.43 -1.45 -0.08 -0.63 -1.32 0.00 0.00 176.35 173.30 2b46 s ILE 77 N 5.83 0.74 -0.16 6.68 1.01 -0.31 -3.08 121.20 131.91 2b46 s ILE 77 Ca 0.72 -0.30 -0.11 0.00 0.00 0.00 0.00 60.65 60.95 2b46 s ILE 77 Cb -0.21 -0.69 -0.05 0.00 0.01 0.00 0.00 42.46 41.52 2b46 s ILE 77 CO 0.31 0.25 0.21 -0.70 0.00 0.00 0.00 174.94 175.01 2b46 s GLU 78 N 0.43 4.09 0.20 2.79 2.12 -0.33 -1.03 118.70 126.97 2b46 s GLU 78 Ca -0.07 -0.05 0.05 0.00 0.36 0.00 0.00 54.97 55.26 2b46 s GLU 78 Cb -0.11 -3.38 -0.05 0.00 0.26 0.00 0.00 34.13 30.86 2b46 s GLU 78 CO 0.01 0.37 -0.07 1.52 -0.54 0.00 0.00 175.26 176.55 2b46 s TYR 79 N 0.11 1.53 -0.05 5.30 -0.85 0.29 -0.70 117.35 122.97 2b46 s TYR 79 Ca 0.13 -0.77 -0.06 0.00 -0.52 0.00 0.00 57.07 55.85 2b46 s TYR 79 Cb -0.12 -0.81 0.01 0.00 0.38 0.00 0.00 41.96 41.42 2b46 s TYR 79 CO 0.02 0.12 0.16 0.71 -1.52 0.00 0.00 175.55 175.04 2b46 s TYR 80 N -3.25 -0.14 -0.40 -3.49 1.51 -0.09 -2.20 117.35 109.28 2b46 s TYR 80 Ca 0.23 0.35 0.02 0.00 -1.01 0.00 0.00 57.07 56.66 2b46 s TYR 80 Cb 0.03 0.04 0.12 0.00 -0.11 0.00 0.00 41.96 42.04 2b46 s TYR 80 CO 0.06 -0.12 0.15 0.08 -1.11 0.00 0.00 175.55 174.61 2b46 s VAL 81 N -0.15 1.78 -0.33 0.71 1.01 -0.92 -0.92 120.40 121.58 2b46 s VAL 81 Ca -0.02 -2.38 -0.27 0.00 0.00 0.00 0.00 61.98 59.31 2b46 s VAL 81 Cb -0.02 -2.28 0.01 0.00 0.00 0.00 0.00 36.38 34.09 2b46 s VAL 81 CO 0.00 -0.74 0.96 -0.69 0.00 0.00 0.00 175.10 174.64 2b46 s VAL 82 N 0.68 4.61 -0.13 2.92 1.01 0.32 -1.27 120.40 128.53 2b46 s VAL 82 Ca 0.14 1.45 0.14 0.00 0.00 0.00 0.00 61.98 63.71 2b46 s VAL 82 Cb -0.21 -4.32 -0.24 0.00 0.00 0.00 0.00 36.38 31.60 2b46 s VAL 82 CO -0.08 -0.43 0.31 0.47 0.00 0.00 0.00 175.10 175.37 2b46 n ASP 83 N 6.66 0.51 -4.02 3.32 8.00 0.01 -1.48 116.55 129.55 2b46 n ASP 83 Ca 0.08 0.17 -0.10 0.00 0.71 0.00 0.00 54.79 55.66 2b46 n ASP 83 Cb 0.48 0.44 -0.06 0.00 -0.02 0.00 0.00 41.12 41.96 2b46 n ASP 83 CO 0.00 0.00 0.00 -0.55 -0.39 0.00 0.00 177.20 176.26 2b46 s SER 84 N -5.83 -0.05 0.28 -2.24 0.15 -1.03 -0.58 113.70 104.41 2b46 s SER 84 Ca -0.09 -0.98 -0.08 0.00 0.70 0.00 0.00 55.95 55.49 2b46 s SER 84 Cb 0.07 0.54 0.03 0.00 -1.71 0.00 0.00 66.02 64.95 2b46 s SER 84 CO 0.82 -1.07 0.52 -2.67 1.20 0.00 0.00 173.24 172.04 2b46 n TRP 85 N -0.35 -1.78 0.00 3.44 2.14 -1.26 -1.33 117.44 118.30 2b46 n TRP 85 Ca -0.02 -1.46 0.00 0.00 2.07 0.00 0.00 57.50 58.09 2b46 n TRP 85 Cb 0.63 0.60 0.00 0.00 -0.81 0.00 0.00 31.31 31.73 2b46 n TRP 85 CO 0.00 0.00 0.00 0.41 2.07 0.00 0.00 177.69 180.17 2b46 n GLY 86 N -0.40 0.16 0.04 -1.67 0.00 -0.69 -4.90 105.19 97.72 2b46 n GLY 86 Ca -0.05 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.09 2b46 n GLY 86 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2b46 n THR 87 N 0.00 0.20 -4.05 2.61 -2.24 -1.01 -4.85 114.28 104.93 2b46 n THR 87 Ca 0.00 -0.25 -0.31 0.00 -2.27 0.00 0.00 64.05 61.22 2b46 n THR 87 Cb 0.00 0.16 -0.16 0.00 -2.10 0.00 0.00 70.33 68.23 2b46 n THR 87 CO 0.00 0.00 0.00 -0.47 -0.57 0.00 0.00 175.07 174.03 2b46 s TYR 88 N -3.19 2.42 -0.32 4.78 5.04 -1.26 -5.03 117.35 119.79 2b46 s TYR 88 Ca 0.04 -1.42 -0.16 0.00 -2.44 0.00 0.00 57.07 53.09 2b46 s TYR 88 Cb 0.14 -1.71 -0.02 0.00 0.35 0.00 0.00 41.96 40.72 2b46 s TYR 88 CO 0.79 -0.73 0.41 0.50 -1.34 0.00 0.00 175.55 175.18 2b46 s ARG 89 N 1.41 3.73 0.38 4.97 3.52 -1.26 -4.85 118.95 126.85 2b46 s ARG 89 Ca 0.04 -0.19 -0.26 0.00 -0.13 0.00 0.00 55.73 55.19 2b46 s ARG 89 Cb -0.13 -3.76 -0.09 0.00 -1.56 0.00 0.00 34.95 29.41 2b46 s ARG 89 CO -0.11 -0.47 1.19 -1.25 -0.81 0.00 0.00 175.30 173.84 2b46 s PRO 90 N 2.14 4.13 0.26 5.12 0.04 -1.26 -5.03 135.00 140.40 2b46 s PRO 90 Ca 0.15 1.90 0.02 0.00 0.04 0.00 0.00 61.00 63.10 2b46 s PRO 90 Cb -0.16 -2.76 -0.01 0.00 0.04 0.00 0.00 34.50 31.61 2b46 s PRO 90 CO 0.11 -0.27 0.31 0.25 0.04 0.00 0.00 177.00 177.44 2b46 n THR 91 N 0.24 0.00 -0.08 1.26 -2.24 -1.26 -4.92 114.28 107.29 2b46 n THR 91 Ca 0.03 -1.58 0.00 0.00 -2.27 0.00 0.00 64.05 60.23 2b46 n THR 91 Cb 0.46 0.88 0.00 0.00 -2.10 0.00 0.00 70.33 69.57 2b46 n THR 91 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2b46 n GLY 92 N -0.46 2.50 3.61 3.38 0.00 -1.26 -5.00 105.19 107.95 2b46 n GLY 92 Ca 0.03 -0.06 -0.43 0.00 0.00 0.00 0.00 46.02 45.55 2b46 n GLY 92 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2b46 s THR 93 N 0.35 4.40 0.18 2.61 2.01 -0.57 -4.87 115.64 119.75 2b46 s THR 93 Ca 0.00 1.36 -0.32 0.00 0.31 0.00 0.00 61.69 63.04 2b46 s THR 93 Cb 0.00 -4.48 -0.10 0.00 0.01 0.00 0.00 72.50 67.93 2b46 s THR 93 CO 0.00 -0.72 1.58 -0.47 -0.69 0.00 0.00 174.62 174.32 2b46 s TYR 94 N 3.94 3.04 0.00 4.92 5.04 -1.26 -1.82 117.35 131.20 2b46 s TYR 94 Ca 0.44 0.61 0.00 0.00 -2.44 0.00 0.00 57.07 55.68 2b46 s TYR 94 Cb -0.10 -3.95 0.00 0.00 0.35 0.00 0.00 41.96 38.26 2b46 s TYR 94 CO 0.23 -3.51 0.00 1.63 -1.34 0.00 0.00 175.55 172.56 2b46 n LYS 95 N 3.88 1.23 -2.39 4.97 4.76 -0.23 -4.95 118.16 125.43 2b46 n LYS 95 Ca 0.14 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.58 2b46 n LYS 95 Cb 0.38 -0.93 0.00 0.00 -1.84 0.00 0.00 35.03 32.65 2b46 n LYS 95 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2b46 n GLY 96 N 2.19 -0.08 3.26 0.72 0.00 -1.25 -4.97 105.19 105.07 2b46 n GLY 96 Ca 0.00 -1.45 -0.15 0.00 0.00 0.00 0.00 46.02 44.42 2b46 n GLY 96 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2b46 s THR 97 N -2.86 1.20 -0.04 2.61 -4.23 -1.26 -0.19 115.64 110.87 2b46 s THR 97 Ca 0.00 -2.07 -0.03 0.00 -1.18 0.00 0.00 61.69 58.41 2b46 s THR 97 Cb 0.00 -1.88 0.01 0.00 1.34 0.00 0.00 72.50 71.98 2b46 s THR 97 CO 0.00 -0.72 0.11 0.54 -0.54 0.00 0.00 174.62 174.00 2b46 s VAL 98 N -3.31 -0.01 -0.15 2.29 0.11 -0.35 -4.93 120.40 114.06 2b46 s VAL 98 Ca 0.17 0.02 -0.10 0.00 -2.93 0.00 0.00 61.98 59.14 2b46 s VAL 98 Cb 0.02 -0.16 -0.05 0.00 -1.53 0.00 0.00 36.38 34.67 2b46 s VAL 98 CO 0.01 0.01 0.20 -0.54 -3.33 0.00 0.00 175.10 171.45 2b46 s LYS 99 N 0.19 3.95 -0.28 1.54 1.02 -1.26 -0.49 119.74 124.41 2b46 s LYS 99 Ca -0.01 -0.05 -0.20 0.00 0.02 0.00 0.00 55.97 55.73 2b46 s LYS 99 Cb -0.02 -3.33 0.09 0.00 -0.52 0.00 0.00 37.83 34.05 2b46 s LYS 99 CO -0.01 0.47 0.78 0.45 -0.92 0.00 0.00 175.35 176.12 2b46 s SER 100 N -0.18 -0.77 -1.37 2.83 0.15 -0.37 -4.99 113.70 109.00 2b46 s SER 100 Ca 0.14 1.33 -0.02 0.00 0.70 0.00 0.00 55.95 58.10 2b46 s SER 100 Cb -0.12 1.33 0.01 0.00 -1.71 0.00 0.00 66.02 65.53 2b46 s SER 100 CO 0.03 -0.22 0.63 0.47 1.20 0.00 0.00 173.24 175.35 2b46 n ASP 101 N 3.49 -1.25 -0.20 5.45 8.00 -1.26 -1.97 116.55 128.81 2b46 n ASP 101 Ca -0.17 -0.89 -0.03 0.00 0.71 0.00 0.00 54.79 54.42 2b46 n ASP 101 Cb 0.57 -3.66 -0.01 0.00 -0.02 0.00 0.00 41.12 38.00 2b46 n ASP 101 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2b46 n GLY 102 N -1.72 0.56 3.06 0.44 0.00 -1.26 -4.96 105.19 101.32 2b46 n GLY 102 Ca -0.26 -0.29 -0.12 0.00 0.00 0.00 0.00 46.02 45.34 2b46 n GLY 102 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2b46 s GLY 103 N -2.36 0.50 -0.17 -0.02 0.00 -0.83 -5.14 107.32 99.30 2b46 s GLY 103 Ca 0.00 -0.80 -0.07 0.00 0.00 0.00 0.00 44.72 43.84 2b46 s GLY 103 CO 0.00 -0.86 0.08 -1.59 0.00 0.00 0.00 173.10 170.73 2b46 s THR 104 N -1.62 4.98 -0.02 0.90 2.01 -1.26 -1.24 115.64 119.39 2b46 s THR 104 Ca -0.08 0.03 0.07 0.00 0.31 0.00 0.00 61.69 62.01 2b46 s THR 104 Cb -0.08 -3.23 -0.02 0.00 0.01 0.00 0.00 72.50 69.18 2b46 s THR 104 CO -0.00 0.50 -0.23 -0.31 -0.69 0.00 0.00 174.62 173.89 2b46 s TYR 105 N 0.02 2.05 0.41 4.92 1.51 0.35 -0.97 117.35 125.64 2b46 s TYR 105 Ca 0.07 -0.41 -0.20 0.00 -1.01 0.00 0.00 57.07 55.52 2b46 s TYR 105 Cb -0.12 -1.32 -0.11 0.00 -0.11 0.00 0.00 41.96 40.30 2b46 s TYR 105 CO 0.00 -0.05 0.92 -0.51 -1.11 0.00 0.00 175.55 174.80 2b46 s ASP 106 N -0.49 6.92 -0.13 2.29 1.01 0.97 -1.22 116.67 126.02 2b46 s ASP 106 Ca 0.07 1.63 -0.02 0.00 0.71 0.00 0.00 52.55 54.95 2b46 s ASP 106 Cb -0.09 -2.51 -0.02 0.00 1.01 0.00 0.00 42.92 41.30 2b46 s ASP 106 CO -0.00 -0.33 -0.08 -0.63 0.21 0.00 0.00 175.17 174.33 2b46 s ILE 107 N -2.15 3.50 0.05 0.77 1.01 0.74 -0.32 121.20 124.80 2b46 s ILE 107 Ca 0.61 -0.51 0.03 0.00 0.00 0.00 0.00 60.65 60.78 2b46 s ILE 107 Cb -0.09 -2.50 -0.03 0.00 0.01 0.00 0.00 42.46 39.86 2b46 s ILE 107 CO 0.14 0.52 -0.09 -0.31 0.00 0.00 0.00 174.94 175.20 2b46 s TYR 108 N 0.22 0.75 0.09 3.97 2.02 -0.69 -1.07 117.35 122.65 2b46 s TYR 108 Ca -0.05 -0.51 0.09 0.00 -0.37 0.00 0.00 57.07 56.23 2b46 s TYR 108 Cb -0.15 -0.44 -0.04 0.00 -0.40 0.00 0.00 41.96 40.94 2b46 s TYR 108 CO 0.04 -0.07 -0.19 0.95 -1.57 0.00 0.00 175.55 174.71 2b46 s THR 109 N -1.44 2.74 -0.01 -0.71 -4.23 -0.76 -0.94 115.64 110.30 2b46 s THR 109 Ca -0.08 -1.43 -0.01 0.00 -1.18 0.00 0.00 61.69 58.98 2b46 s THR 109 Cb -0.10 -2.21 -0.00 0.00 1.34 0.00 0.00 72.50 71.53 2b46 s THR 109 CO 0.00 0.18 0.03 -0.89 -0.54 0.00 0.00 174.62 173.41 2b46 s THR 110 N -1.05 0.02 -0.24 3.99 2.01 -0.84 -1.51 115.64 118.03 2b46 s THR 110 Ca 0.16 -0.20 -0.09 0.00 0.31 0.00 0.00 61.69 61.88 2b46 s THR 110 Cb -0.10 -0.12 -0.04 0.00 0.01 0.00 0.00 72.50 72.25 2b46 s THR 110 CO 0.08 -0.11 0.11 -0.89 -0.69 0.00 0.00 174.62 173.12 2b46 s THR 111 N -0.32 4.80 -0.11 -0.82 2.01 -1.26 0.43 115.64 120.38 2b46 s THR 111 Ca -0.04 -0.01 -0.10 0.00 0.31 0.00 0.00 61.69 61.85 2b46 s THR 111 Cb -0.02 -3.24 -0.05 0.00 0.01 0.00 0.00 72.50 69.20 2b46 s THR 111 CO -0.00 0.35 0.22 -0.13 -0.69 0.00 0.00 174.62 174.37 2b46 s ARG 112 N 1.26 3.76 0.03 4.92 1.81 0.10 -5.00 118.95 125.82 2b46 s ARG 112 Ca 0.06 0.01 0.06 0.00 -1.72 0.00 0.00 55.73 54.15 2b46 s ARG 112 Cb -0.14 -3.26 -0.02 0.00 -0.45 0.00 0.00 34.95 31.08 2b46 s ARG 112 CO 0.05 0.62 -0.19 0.71 -0.68 0.00 0.00 175.30 175.81 2b46 s TYR 113 N -0.65 1.68 -1.32 -0.53 2.02 -1.26 -1.98 117.35 115.31 2b46 s TYR 113 Ca 0.16 -0.35 -0.03 0.00 -0.37 0.00 0.00 57.07 56.49 2b46 s TYR 113 Cb -0.13 -1.02 0.01 0.00 -0.40 0.00 0.00 41.96 40.42 2b46 s TYR 113 CO 0.05 0.05 0.85 0.09 -1.57 0.00 0.00 175.55 175.02 2b46 n ASN 114 N 2.09 -2.27 -4.19 2.29 4.13 -0.93 -4.92 115.26 111.47 2b46 n ASN 114 Ca -0.17 -0.75 -0.20 0.00 1.68 0.00 0.00 54.58 55.14 2b46 n ASN 114 Cb 0.54 -4.36 -0.13 0.00 -1.54 0.00 0.00 39.78 34.29 2b46 n ASN 114 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 2b46 s ALA 115 N -3.52 1.35 0.50 5.41 0.00 -0.64 -4.70 121.76 120.15 2b46 s ALA 115 Ca 0.14 -1.01 -0.21 0.00 0.00 0.00 0.00 51.96 50.87 2b46 s ALA 115 Cb -0.07 -0.17 -0.07 0.00 0.00 0.00 0.00 23.12 22.82 2b46 s ALA 115 CO 0.79 0.24 1.14 -1.25 0.00 0.00 0.00 175.76 176.68 2b46 s PRO 116 N -1.58 3.60 0.36 0.00 0.04 -1.09 -0.42 135.00 135.92 2b46 s PRO 116 Ca 0.01 1.68 -0.16 0.00 0.04 0.00 0.00 61.00 62.57 2b46 s PRO 116 Cb -0.09 -2.22 0.05 0.00 0.04 0.00 0.00 34.50 32.27 2b46 s PRO 116 CO 0.02 -0.66 0.77 -1.54 0.04 0.00 0.00 177.00 175.63 2b46 s SER 117 N -1.57 -0.03 0.04 6.66 1.04 -0.41 -4.93 113.70 114.51 2b46 s SER 117 Ca 0.68 -1.05 0.07 0.00 0.48 0.00 0.00 55.95 56.12 2b46 s SER 117 Cb -0.26 0.82 0.31 0.00 0.10 0.00 0.00 66.02 67.00 2b46 s SER 117 CO 0.30 -1.62 1.21 2.30 0.98 0.00 0.00 173.24 176.42 2b46 n ILE 118 N -0.52 1.61 0.66 -1.02 -5.35 -1.26 -2.30 119.36 111.18 2b46 n ILE 118 Ca -0.07 0.45 0.11 0.00 -0.27 0.00 0.00 62.75 62.97 2b46 n ILE 118 Cb 0.60 -1.39 0.09 0.00 -1.74 0.00 0.00 39.64 37.20 2b46 n ILE 118 CO 0.00 0.00 0.00 0.47 -1.76 0.00 0.00 176.55 175.26 2b46 n ASP 119 N -1.61 0.63 0.00 7.28 9.92 -1.26 -5.09 116.55 126.42 2b46 n ASP 119 Ca 0.01 -0.18 0.00 0.00 -0.53 0.00 0.00 54.79 54.09 2b46 n ASP 119 Cb 0.05 0.57 0.00 0.00 -0.64 0.00 0.00 41.12 41.11 2b46 n ASP 119 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 2b46 n GLY 120 N 1.39 0.97 0.14 0.44 0.00 -0.97 -4.99 105.19 102.17 2b46 n GLY 120 Ca 0.03 -1.92 0.12 0.00 0.00 0.00 0.00 46.02 44.24 2b46 n GLY 120 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 2b46 h ASP 121 N 0.00 0.00 -2.58 1.61 3.32 -1.84 -1.08 116.42 115.85 2b46 h ASP 121 Ca 0.00 -0.01 -0.60 0.00 0.02 0.00 0.00 57.03 56.45 2b46 h ASP 121 Cb 0.00 0.00 -0.39 0.00 0.22 0.00 0.00 39.33 39.16 2b46 h ASP 121 CO 0.00 0.00 -0.88 -0.62 -1.72 0.00 0.00 179.24 176.02 2b46 s ASP 122 N -5.57 2.29 0.15 6.45 2.15 -1.23 -2.67 116.67 118.24 2b46 s ASP 122 Ca 0.02 -3.12 0.02 0.00 0.43 0.00 0.00 52.55 49.90 2b46 s ASP 122 Cb 0.08 -0.69 -0.04 0.00 -0.30 0.00 0.00 42.92 41.97 2b46 s ASP 122 CO 0.75 -0.17 -0.02 0.42 -0.17 0.00 0.00 175.17 175.98 2b46 s THR 123 N -0.13 0.69 -0.11 1.71 -4.23 0.44 -4.73 115.64 109.29 2b46 s THR 123 Ca 0.29 -1.97 -0.03 0.00 -1.18 0.00 0.00 61.69 58.80 2b46 s THR 123 Cb -0.01 -1.99 -0.03 0.00 1.34 0.00 0.00 72.50 71.81 2b46 s THR 123 CO -0.17 -0.60 0.01 -0.89 -0.54 0.00 0.00 174.62 172.44 2b46 s THR 124 N -3.64 4.33 0.19 3.99 2.01 -1.26 -1.62 115.64 119.64 2b46 s THR 124 Ca 0.20 -0.23 -0.21 0.00 0.31 0.00 0.00 61.69 61.76 2b46 s THR 124 Cb 0.06 -2.85 0.05 0.00 0.01 0.00 0.00 72.50 69.77 2b46 s THR 124 CO 0.01 0.57 0.60 0.72 -0.69 0.00 0.00 174.62 175.84 2b46 s PHE 125 N -0.54 -0.38 0.11 4.92 -0.12 -0.84 -4.93 117.98 116.21 2b46 s PHE 125 Ca 0.09 0.08 -0.06 0.00 -0.05 0.00 0.00 56.93 57.00 2b46 s PHE 125 Cb -0.12 0.55 -0.05 0.00 -0.63 0.00 0.00 43.02 42.76 2b46 s PHE 125 CO 0.02 -0.94 0.36 0.99 -0.05 0.00 0.00 175.22 175.61 2b46 s THR 126 N -3.81 5.17 -0.09 -4.49 2.01 -1.18 -0.72 115.64 112.53 2b46 s THR 126 Ca 0.05 0.13 0.01 0.00 0.31 0.00 0.00 61.69 62.18 2b46 s THR 126 Cb -0.02 -3.62 -0.02 0.00 0.01 0.00 0.00 72.50 68.85 2b46 s THR 126 CO -0.07 0.14 -0.11 -1.10 -0.69 0.00 0.00 174.62 172.79 2b46 s GLN 127 N -2.38 2.99 -0.13 4.92 -0.21 0.17 -1.19 119.66 123.84 2b46 s GLN 127 Ca 0.37 -0.64 -0.03 0.00 0.02 0.00 0.00 55.36 55.08 2b46 s GLN 127 Cb -0.13 -2.57 -0.03 0.00 1.00 0.00 0.00 33.01 31.28 2b46 s GLN 127 CO 0.22 0.45 -0.01 0.71 -2.12 0.00 0.00 175.29 174.54 2b46 s TYR 128 N -0.25 3.09 -0.04 0.91 2.02 0.12 -1.98 117.35 121.22 2b46 s TYR 128 Ca 0.02 -0.04 0.04 0.00 -0.37 0.00 0.00 57.07 56.72 2b46 s TYR 128 Cb -0.13 -1.89 -0.00 0.00 -0.40 0.00 0.00 41.96 39.54 2b46 s TYR 128 CO 0.03 0.21 -0.16 -1.58 -1.57 0.00 0.00 175.55 172.47 2b46 s TRP 129 N -0.19 1.64 -0.17 2.71 0.52 -0.11 -0.91 118.94 122.42 2b46 s TRP 129 Ca 0.05 -0.46 -0.01 0.00 0.02 0.00 0.00 56.10 55.70 2b46 s TRP 129 Cb -0.13 -1.10 -0.00 0.00 -1.15 0.00 0.00 33.47 31.09 2b46 s TRP 129 CO 0.02 -0.15 -0.13 -1.12 0.02 0.00 0.00 176.95 175.59 2b46 s SER 130 N 0.02 3.74 -0.11 2.95 0.01 -0.10 -1.70 113.70 118.52 2b46 s SER 130 Ca -0.03 -0.47 0.01 0.00 1.31 0.00 0.00 55.95 56.78 2b46 s SER 130 Cb -0.11 -1.59 0.02 0.00 0.21 0.00 0.00 66.02 64.55 2b46 s SER 130 CO 0.02 0.06 -0.15 -0.69 0.41 0.00 0.00 173.24 172.89 2b46 s VAL 131 N 0.98 1.48 0.34 3.43 1.01 0.56 -0.52 120.40 127.69 2b46 s VAL 131 Ca -0.02 -0.62 -0.29 0.00 0.00 0.00 0.00 61.98 61.05 2b46 s VAL 131 Cb -0.15 -1.36 -0.11 0.00 0.00 0.00 0.00 36.38 34.77 2b46 s VAL 131 CO -0.02 0.44 1.39 -0.60 0.00 0.00 0.00 175.10 176.30 2b46 s ARG 132 N 1.06 4.26 0.31 2.72 3.52 -0.55 -0.02 118.95 130.24 2b46 s ARG 132 Ca -0.05 2.35 0.08 0.00 -0.13 0.00 0.00 55.73 57.98 2b46 s ARG 132 Cb -0.15 -3.04 0.50 0.00 -1.56 0.00 0.00 34.95 30.71 2b46 s ARG 132 CO -0.03 -0.34 1.72 1.96 -0.81 0.00 0.00 175.30 177.81 2b46 h GLN 133 N 3.41 0.20 -4.77 5.12 4.20 -1.40 -3.44 115.11 118.43 2b46 h GLN 133 Ca -0.49 -0.09 -0.29 0.00 0.06 0.00 0.00 58.65 57.84 2b46 h GLN 133 Cb 1.23 -0.00 -0.15 0.00 0.30 0.00 0.00 27.48 28.86 2b46 h GLN 133 CO 0.66 0.57 -0.65 -1.54 -0.67 0.00 0.00 178.83 177.21 2b46 s SER 134 N -6.88 1.06 0.26 1.46 1.04 -1.26 -5.08 113.70 104.29 2b46 s SER 134 Ca -0.04 -1.24 -0.30 0.00 0.48 0.00 0.00 55.95 54.85 2b46 s SER 134 Cb 0.14 0.16 -0.10 0.00 0.10 0.00 0.00 66.02 66.32 2b46 s SER 134 CO 0.76 -0.64 1.37 -0.54 0.98 0.00 0.00 173.24 175.18 2b46 s LYS 135 N -3.97 4.32 0.26 4.02 1.02 -1.26 -4.92 119.74 119.21 2b46 s LYS 135 Ca 0.28 2.22 -0.30 0.00 0.02 0.00 0.00 55.97 58.19 2b46 s LYS 135 Cb 0.07 -3.12 -0.09 0.00 -0.52 0.00 0.00 37.83 34.16 2b46 s LYS 135 CO 0.06 -0.32 1.03 0.50 -0.92 0.00 0.00 175.35 175.70 2b46 s ARG 136 N -0.67 4.74 0.49 1.68 3.52 0.26 -5.01 118.95 123.95 2b46 s ARG 136 Ca 0.56 1.66 -0.24 0.00 -0.13 0.00 0.00 55.73 57.59 2b46 s ARG 136 Cb -0.40 -3.23 -0.07 0.00 -1.56 0.00 0.00 34.95 29.70 2b46 s ARG 136 CO 0.44 0.35 1.35 -2.14 -0.81 0.00 0.00 175.30 174.49 2b46 s PRO 137 N -1.34 3.49 0.38 5.12 0.02 -1.26 -4.82 135.00 136.59 2b46 s PRO 137 Ca 0.43 2.23 0.08 0.00 0.02 0.00 0.00 61.00 63.76 2b46 s PRO 137 Cb -0.29 -2.47 -0.06 0.00 0.02 0.00 0.00 34.50 31.71 2b46 s PRO 137 CO 0.37 -0.91 0.08 0.95 -0.33 0.00 0.00 177.00 177.17 2b46 s THR 138 N -1.29 2.43 0.00 0.99 -4.23 -1.26 -4.73 115.64 107.54 2b46 s THR 138 Ca 0.65 -1.86 0.00 0.00 -1.18 0.00 0.00 61.69 59.31 2b46 s THR 138 Cb -0.40 -2.91 0.00 0.00 1.34 0.00 0.00 72.50 70.53 2b46 s THR 138 CO 0.49 -0.09 0.00 0.61 -0.54 0.00 0.00 174.62 175.09 2b46 n GLY 139 N -1.07 0.82 3.77 3.99 0.00 -0.11 -4.99 105.19 107.59 2b46 n GLY 139 Ca -0.03 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.73 2b46 n GLY 139 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2b46 s SER 140 N -2.12 5.33 0.10 1.61 0.01 -1.26 -4.88 113.70 112.49 2b46 s SER 140 Ca 0.00 -0.22 -0.31 0.00 1.31 0.00 0.00 55.95 56.73 2b46 s SER 140 Cb 0.00 -1.32 -0.07 0.00 0.21 0.00 0.00 66.02 64.83 2b46 s SER 140 CO 0.00 0.06 1.32 0.20 0.41 0.00 0.00 173.24 175.23 2b46 s ASN 141 N -3.20 6.91 0.15 2.44 -0.87 -1.26 -4.48 114.94 114.64 2b46 s ASN 141 Ca 0.30 2.22 0.08 0.00 -1.57 0.00 0.00 52.86 53.90 2b46 s ASN 141 Cb -0.09 -2.58 -0.04 0.00 -0.02 0.00 0.00 41.25 38.51 2b46 s ASN 141 CO 0.22 -0.59 -0.18 0.00 -2.57 0.00 0.00 177.10 173.99 2b46 s ALA 142 N 1.07 1.91 -0.04 0.60 0.00 0.72 -4.99 121.76 121.03 2b46 s ALA 142 Ca 0.62 -1.45 0.05 0.00 0.00 0.00 0.00 51.96 51.19 2b46 s ALA 142 Cb -0.34 -0.17 -0.01 0.00 0.00 0.00 0.00 23.12 22.60 2b46 s ALA 142 CO 0.30 0.22 -0.20 0.99 0.00 0.00 0.00 175.76 177.07 2b46 s THR 143 N -2.02 1.65 -0.30 0.00 2.01 -1.26 -1.18 115.64 114.54 2b46 s THR 143 Ca 0.14 -0.86 -0.02 0.00 0.31 0.00 0.00 61.69 61.26 2b46 s THR 143 Cb -0.06 -1.40 0.05 0.00 0.01 0.00 0.00 72.50 71.10 2b46 s THR 143 CO 0.06 0.47 0.00 -0.63 -0.69 0.00 0.00 174.62 173.83 2b46 s ILE 144 N -0.15 3.05 -0.95 1.82 1.01 0.63 -4.80 121.20 121.81 2b46 s ILE 144 Ca -0.01 -1.33 -0.18 0.00 0.00 0.00 0.00 60.65 59.13 2b46 s ILE 144 Cb -0.11 -2.73 0.13 0.00 0.01 0.00 0.00 42.46 39.76 2b46 s ILE 144 CO 0.02 -0.08 1.14 -0.89 0.00 0.00 0.00 174.94 175.13 2b46 s THR 145 N 1.27 4.76 0.31 2.92 2.01 -1.26 -1.74 115.64 123.92 2b46 s THR 145 Ca -0.05 -1.66 0.03 0.00 0.31 0.00 0.00 61.69 60.32 2b46 s THR 145 Cb -0.19 -4.78 0.14 0.00 0.01 0.00 0.00 72.50 67.67 2b46 s THR 145 CO -0.01 -1.51 1.84 0.15 -0.69 0.00 0.00 174.62 174.40 2b46 h PHE 146 N 8.71 0.62 -0.85 4.92 3.57 -1.83 -0.82 116.94 131.27 2b46 h PHE 146 Ca 0.17 -0.07 0.21 0.00 3.53 0.00 0.00 57.97 61.80 2b46 h PHE 146 Cb 1.01 -0.18 -0.05 0.00 2.79 0.00 0.00 35.95 39.52 2b46 h PHE 146 CO 1.16 0.61 0.58 0.66 -2.23 0.00 0.00 178.31 179.08 2b46 h SER 147 N 0.57 0.28 -0.70 0.41 4.64 -1.68 0.86 113.55 117.94 2b46 h SER 147 Ca 0.12 0.03 -0.04 0.00 -0.47 0.00 0.00 61.79 61.42 2b46 h SER 147 Cb 0.37 -0.02 -0.03 0.00 -0.31 0.00 0.00 62.40 62.40 2b46 h SER 147 CO 0.01 0.12 0.27 0.78 -0.87 0.00 0.00 176.83 177.14 2b46 h ASN 148 N 0.28 0.98 -0.22 4.97 -0.26 -1.45 -0.79 115.58 119.09 2b46 h ASN 148 Ca 0.43 -0.15 -0.14 0.00 -0.56 0.00 0.00 56.30 55.88 2b46 h ASN 148 Cb 1.24 -0.25 0.00 0.00 -1.06 0.00 0.00 38.32 38.25 2b46 h ASN 148 CO -0.12 0.88 -0.40 0.45 -1.06 0.00 0.00 177.43 177.18 2b46 h HIS 149 N 1.04 0.82 -0.56 1.19 3.86 -1.00 -2.56 115.15 117.95 2b46 h HIS 149 Ca 0.24 -0.29 0.01 0.00 -1.16 0.00 0.00 60.37 59.17 2b46 h HIS 149 Cb 0.22 -0.15 -0.03 0.00 1.06 0.00 0.00 27.41 28.50 2b46 h HIS 149 CO 0.02 1.06 0.36 0.28 0.86 0.00 0.00 177.93 180.50 2b46 h VAL 150 N 0.35 1.11 -0.32 2.45 2.07 -0.90 0.11 116.25 121.12 2b46 h VAL 150 Ca 0.01 -0.25 -0.12 0.00 0.82 0.00 0.00 66.70 67.17 2b46 h VAL 150 Cb 1.00 0.33 -0.01 0.00 -1.52 0.00 0.00 31.29 31.09 2b46 h VAL 150 CO 0.09 0.13 -0.29 0.78 0.02 0.00 0.00 177.57 178.30 2b46 h ASN 151 N 0.72 0.68 0.07 0.57 2.35 -1.18 -0.94 115.58 117.85 2b46 h ASN 151 Ca 0.21 -0.26 -0.25 0.00 -0.55 0.00 0.00 56.30 55.46 2b46 h ASN 151 Cb -0.04 -0.19 0.01 0.00 0.05 0.00 0.00 38.32 38.16 2b46 h ASN 151 CO -0.07 0.93 -0.96 0.00 -1.65 0.00 0.00 177.43 175.69 2b46 h ALA 152 N 1.11 0.25 -0.21 -0.83 0.00 -1.02 -2.09 119.26 116.47 2b46 h ALA 152 Ca 0.07 -0.68 0.02 0.00 0.00 0.00 0.00 54.91 54.32 2b46 h ALA 152 Cb 0.79 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.57 2b46 h ALA 152 CO 0.06 0.72 0.08 -1.49 0.00 0.00 0.00 179.25 178.63 2b46 h TRP 153 N 0.37 0.15 -0.71 0.00 6.55 -0.64 -2.54 115.95 119.13 2b46 h TRP 153 Ca -0.10 0.01 0.06 0.00 0.95 0.00 0.00 58.89 59.81 2b46 h TRP 153 Cb 1.60 -0.04 -0.04 0.00 -0.86 0.00 0.00 29.16 29.82 2b46 h TRP 153 CO 0.09 0.08 0.47 -0.22 -1.05 0.00 0.00 178.44 177.80 2b46 h LYS 154 N 0.18 0.75 0.00 0.49 3.64 -0.84 0.14 116.57 120.93 2b46 h LYS 154 Ca 0.09 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.42 2b46 h LYS 154 Cb 0.05 -0.17 0.00 0.00 -0.41 0.00 0.00 32.23 31.70 2b46 h LYS 154 CO -0.08 0.49 0.00 0.66 -2.27 0.00 0.00 179.45 178.25 2b46 h SER 155 N 0.77 0.00 -0.52 4.20 4.64 -0.96 -2.38 113.55 119.31 2b46 h SER 155 Ca 0.30 0.00 -0.24 0.00 -0.47 0.00 0.00 61.79 61.38 2b46 h SER 155 Cb 0.20 0.00 -0.14 0.00 -0.31 0.00 0.00 62.40 62.15 2b46 h SER 155 CO -0.10 0.00 0.12 1.41 -0.87 0.00 0.00 176.83 177.40 2b46 n HIS 156 N -2.96 1.62 -1.14 4.77 8.25 -0.33 -4.93 115.22 120.50 2b46 n HIS 156 Ca -0.00 -1.54 -0.05 0.00 -0.26 0.00 0.00 57.72 55.87 2b46 n HIS 156 Cb 0.24 -0.59 -0.02 0.00 1.12 0.00 0.00 29.99 30.74 2b46 n HIS 156 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2b46 n GLY 157 N -0.98 0.71 3.27 -1.41 0.00 -0.90 -4.97 105.19 100.91 2b46 n GLY 157 Ca 0.38 -0.33 -0.44 0.00 0.00 0.00 0.00 46.02 45.63 2b46 n GLY 157 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 2b46 s MET 158 N -1.89 3.12 -0.17 1.61 -1.94 0.34 -4.97 119.30 115.40 2b46 s MET 158 Ca 0.00 -2.18 -0.08 0.00 -1.71 0.00 0.00 55.69 51.72 2b46 s MET 158 Cb 0.00 -4.21 -0.04 0.00 2.01 0.00 0.00 34.83 32.58 2b46 s MET 158 CO 0.00 -1.27 0.10 -0.80 -0.01 0.00 0.00 175.02 173.05 2b46 s ASN 159 N 2.37 6.02 0.71 3.03 -0.87 -1.26 -2.46 114.94 122.47 2b46 s ASN 159 Ca 0.12 0.23 -0.11 0.00 -1.57 0.00 0.00 52.86 51.53 2b46 s ASN 159 Cb -0.19 -2.01 0.02 0.00 -0.02 0.00 0.00 41.25 39.04 2b46 s ASN 159 CO -0.04 0.24 1.09 -0.76 -2.57 0.00 0.00 177.10 175.06 2b46 s LEU 160 N 0.00 2.91 0.83 0.60 1.43 -1.26 -4.95 118.68 118.24 2b46 s LEU 160 Ca 0.08 1.21 -0.12 0.00 -1.03 0.00 0.00 54.13 54.27 2b46 s LEU 160 Cb -0.12 -4.01 0.09 0.00 0.03 0.00 0.00 46.19 42.18 2b46 s LEU 160 CO 0.00 -1.37 1.11 -0.83 0.23 0.00 0.00 176.35 175.49 2b46 s GLY 161 N -4.26 1.61 0.00 -3.19 0.00 -1.26 -4.79 107.32 95.44 2b46 s GLY 161 Ca 0.58 -0.29 0.24 0.00 0.00 0.00 0.00 44.72 45.25 2b46 s GLY 161 CO 0.52 0.18 1.21 -1.14 0.00 0.00 0.00 173.10 173.87 2b46 n SER 162 N -3.54 2.66 -4.23 1.64 3.41 -0.92 -4.75 113.62 107.90 2b46 n SER 162 Ca 0.07 -1.83 -0.35 0.00 -0.26 0.00 0.00 58.87 56.50 2b46 n SER 162 Cb 0.57 0.16 -0.14 0.00 -0.26 0.00 0.00 64.21 64.54 2b46 n SER 162 CO 0.00 0.00 0.00 0.21 -0.16 0.00 0.00 175.04 175.09 2b46 s ASN 163 N -2.16 4.39 -0.13 4.04 3.84 -0.78 -5.01 114.94 119.13 2b46 s ASN 163 Ca 0.25 -0.80 -0.17 0.00 0.21 0.00 0.00 52.86 52.35 2b46 s ASN 163 Cb 0.19 -1.70 -0.04 0.00 -0.55 0.00 0.00 41.25 39.16 2b46 s ASN 163 CO 0.39 -0.12 0.43 0.26 -2.79 0.00 0.00 177.10 175.27 2b46 s TRP 164 N 1.36 3.50 0.00 0.43 0.52 -1.26 0.28 118.94 123.77 2b46 s TRP 164 Ca 0.01 0.82 0.00 0.00 0.02 0.00 0.00 56.10 56.95 2b46 s TRP 164 Cb -0.16 -2.49 0.00 0.00 -1.15 0.00 0.00 33.47 29.66 2b46 s TRP 164 CO -0.04 0.20 0.00 0.00 0.02 0.00 0.00 176.95 177.13 2b46 n ALA 165 N 3.60 0.00 -1.74 0.98 0.00 -0.91 -4.55 120.51 117.89 2b46 n ALA 165 Ca -0.08 0.00 -0.30 0.00 0.00 0.00 0.00 53.44 53.05 2b46 n ALA 165 Cb 0.52 0.00 0.06 0.00 0.00 0.00 0.00 19.45 20.02 2b46 n ALA 165 CO 0.00 0.00 0.00 1.52 0.00 0.00 0.00 177.50 179.02 2b46 s TYR 166 N 2.87 3.19 -0.18 0.00 -0.85 -1.19 -0.83 117.35 120.37 2b46 s TYR 166 Ca 0.00 1.15 -0.04 0.00 -0.52 0.00 0.00 57.07 57.66 2b46 s TYR 166 Cb 0.00 -3.02 0.09 0.00 0.38 0.00 0.00 41.96 39.41 2b46 s TYR 166 CO 0.00 -1.31 0.25 -1.14 -1.52 0.00 0.00 175.55 171.83 2b46 s GLN 167 N -5.24 0.18 0.09 -3.49 0.74 -0.39 -2.32 119.66 109.23 2b46 s GLN 167 Ca 0.59 0.45 0.02 0.00 0.05 0.00 0.00 55.36 56.47 2b46 s GLN 167 Cb -0.12 -0.67 -0.04 0.00 1.10 0.00 0.00 33.01 33.28 2b46 s GLN 167 CO 0.53 -0.51 -0.07 0.14 -0.55 0.00 0.00 175.29 174.83 2b46 s VAL 168 N 2.38 0.71 -0.40 1.34 -7.23 0.48 -0.72 120.40 116.97 2b46 s VAL 168 Ca 0.05 -1.71 -0.18 0.00 -1.81 0.00 0.00 61.98 58.34 2b46 s VAL 168 Cb -0.14 -1.40 0.01 0.00 0.56 0.00 0.00 36.38 35.41 2b46 s VAL 168 CO -0.11 -0.71 0.49 -0.32 -0.31 0.00 0.00 175.10 174.14 2b46 s MET 169 N -3.17 3.29 0.17 4.82 1.75 -0.39 -0.41 119.30 125.36 2b46 s MET 169 Ca 0.06 -0.52 0.08 0.00 -1.25 0.00 0.00 55.69 54.06 2b46 s MET 169 Cb 0.01 -3.91 -0.04 0.00 2.84 0.00 0.00 34.83 33.72 2b46 s MET 169 CO -0.03 -0.81 -0.03 0.00 -0.65 0.00 0.00 175.02 173.50 2b46 s ALA 170 N 2.33 3.12 -0.27 4.11 0.00 0.18 -3.46 121.76 127.76 2b46 s ALA 170 Ca 0.16 -1.40 -0.10 0.00 0.00 0.00 0.00 51.96 50.61 2b46 s ALA 170 Cb -0.16 -0.91 -0.05 0.00 0.00 0.00 0.00 23.12 22.00 2b46 s ALA 170 CO 0.15 0.48 0.17 0.99 0.00 0.00 0.00 175.76 177.55 2b46 s THR 171 N -1.71 5.17 0.08 0.00 2.01 0.94 -1.48 115.64 120.65 2b46 s THR 171 Ca 0.27 0.12 0.07 0.00 0.31 0.00 0.00 61.69 62.45 2b46 s THR 171 Cb -0.09 -3.45 -0.04 0.00 0.01 0.00 0.00 72.50 68.93 2b46 s THR 171 CO 0.17 0.27 -0.12 -0.70 -0.69 0.00 0.00 174.62 173.56 2b46 s GLU 172 N 1.69 2.13 0.00 4.92 2.12 -0.35 -1.09 118.70 128.12 2b46 s GLU 172 Ca 0.07 -0.99 -0.01 0.00 0.36 0.00 0.00 54.97 54.39 2b46 s GLU 172 Cb -0.16 -2.29 -0.01 0.00 0.26 0.00 0.00 34.13 31.94 2b46 s GLU 172 CO 0.10 0.52 0.02 0.20 -0.54 0.00 0.00 175.26 175.56 2b46 s GLY 173 N -1.97 0.08 -0.15 -1.50 0.00 -0.73 -0.55 107.32 102.51 2b46 s GLY 173 Ca 0.19 -0.18 -0.01 0.00 0.00 0.00 0.00 44.72 44.72 2b46 s GLY 173 CO 0.11 -0.23 -0.01 -0.47 0.00 0.00 0.00 173.10 172.50 2b46 s TYR 174 N -0.68 1.18 -1.19 1.90 5.04 -0.79 -1.95 117.35 120.86 2b46 s TYR 174 Ca -0.08 -0.74 -0.22 0.00 -2.44 0.00 0.00 57.07 53.60 2b46 s TYR 174 Cb -0.05 -1.07 0.00 0.00 0.35 0.00 0.00 41.96 41.20 2b46 s TYR 174 CO -0.00 -0.53 0.72 1.04 -1.34 0.00 0.00 175.55 175.44 2b46 n GLN 175 N 5.01 -1.22 -3.90 4.97 6.02 0.10 -4.40 117.38 123.96 2b46 n GLN 175 Ca -0.10 0.36 -0.14 0.00 -0.01 0.00 0.00 57.00 57.11 2b46 n GLN 175 Cb 0.48 -3.80 -0.03 0.00 1.02 0.00 0.00 30.24 27.92 2b46 n GLN 175 CO 0.00 0.00 0.00 -1.13 -1.01 0.00 0.00 177.06 174.92 2b46 n SER 176 N -2.59 -1.39 -4.38 1.08 3.41 -1.25 -4.61 113.62 103.89 2b46 n SER 176 Ca -0.12 -2.83 -0.19 0.00 -0.26 0.00 0.00 58.87 55.47 2b46 n SER 176 Cb 0.60 2.56 -0.10 0.00 -0.26 0.00 0.00 64.21 67.00 2b46 n SER 176 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 2b46 s SER 177 N -3.11 1.93 0.00 4.04 0.01 -0.93 -1.18 113.70 114.46 2b46 s SER 177 Ca 0.27 -1.31 0.00 0.00 1.31 0.00 0.00 55.95 56.22 2b46 s SER 177 Cb -0.01 0.00 0.00 0.00 0.21 0.00 0.00 66.02 66.22 2b46 s SER 177 CO 0.20 -0.59 0.00 0.61 0.41 0.00 0.00 173.24 173.87 2b46 n GLY 178 N -0.53 -0.43 3.09 3.44 0.00 0.54 0.24 105.19 111.54 2b46 n GLY 178 Ca -0.03 -1.36 -0.12 0.00 0.00 0.00 0.00 46.02 44.51 2b46 n GLY 178 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2b46 s SER 179 N -4.00 -0.06 0.04 1.61 0.01 -0.20 -1.22 113.70 109.88 2b46 s SER 179 Ca 0.00 0.01 -0.12 0.00 1.31 0.00 0.00 55.95 57.15 2b46 s SER 179 Cb 0.00 0.27 0.01 0.00 0.21 0.00 0.00 66.02 66.51 2b46 s SER 179 CO 0.00 -0.26 0.26 -0.94 0.41 0.00 0.00 173.24 172.71 2b46 s SER 180 N -0.83 -0.07 -0.07 2.44 1.04 0.20 -0.91 113.70 115.50 2b46 s SER 180 Ca -0.09 -0.23 -0.03 0.00 0.48 0.00 0.00 55.95 56.08 2b46 s SER 180 Cb -0.05 0.32 0.04 0.00 0.10 0.00 0.00 66.02 66.43 2b46 s SER 180 CO 0.01 -0.57 0.13 0.21 0.98 0.00 0.00 173.24 173.99 2b46 s ASN 181 N -1.99 0.90 -0.01 7.02 3.84 0.02 -1.07 114.94 123.65 2b46 s ASN 181 Ca -0.06 0.24 0.01 0.00 0.21 0.00 0.00 52.86 53.26 2b46 s ASN 181 Cb -0.01 0.13 0.01 0.00 -0.55 0.00 0.00 41.25 40.82 2b46 s ASN 181 CO -0.03 -0.25 -0.02 -0.69 -2.79 0.00 0.00 177.10 173.32 2b46 s VAL 182 N 2.25 0.24 -0.07 -5.21 1.01 -0.26 -0.42 120.40 117.94 2b46 s VAL 182 Ca 0.04 -0.08 0.04 0.00 0.00 0.00 0.00 61.98 61.98 2b46 s VAL 182 Cb -0.12 -0.24 -0.02 0.00 0.00 0.00 0.00 36.38 36.00 2b46 s VAL 182 CO -0.05 0.09 -0.20 -0.89 0.00 0.00 0.00 175.10 174.06 2b46 s THR 183 N 0.22 2.54 -0.05 3.92 2.01 -0.17 -0.73 115.64 123.38 2b46 s THR 183 Ca -0.02 -0.89 0.04 0.00 0.31 0.00 0.00 61.69 61.14 2b46 s THR 183 Cb -0.05 -1.98 -0.00 0.00 0.01 0.00 0.00 72.50 70.48 2b46 s THR 183 CO -0.01 0.57 -0.17 -0.69 -0.69 0.00 0.00 174.62 173.63 2b46 s VAL 184 N -0.18 1.44 0.00 3.82 1.01 0.09 -0.81 120.40 125.77 2b46 s VAL 184 Ca -0.02 -0.71 0.00 0.00 0.00 0.00 0.00 61.98 61.25 2b46 s VAL 184 Cb -0.14 -1.25 0.00 0.00 0.00 0.00 0.00 36.38 35.00 2b46 s VAL 184 CO 0.03 0.42 0.00 -2.67 0.00 0.00 0.00 175.10 172.88