#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1bcx s SER 2 N 0.00 7.34 0.42 0.00 0.01 -1.26 -4.50 113.70 115.71 1bcx s SER 2 Ca 0.00 1.60 -0.17 0.00 1.31 0.00 0.00 55.95 58.69 1bcx s SER 2 Cb 0.00 -2.51 -0.09 0.00 0.21 0.00 0.00 66.02 63.63 1bcx s SER 2 CO 0.00 0.06 0.87 0.42 0.41 0.00 0.00 173.24 175.00 1bcx s THR 3 N -0.39 4.57 0.00 1.44 -4.23 -1.26 -4.98 115.64 110.78 1bcx s THR 3 Ca 0.40 1.13 0.00 0.00 -1.18 0.00 0.00 61.69 62.04 1bcx s THR 3 Cb -0.22 -3.65 0.00 0.00 1.34 0.00 0.00 72.50 69.97 1bcx s THR 3 CO 0.26 -0.41 0.50 -0.90 -0.54 0.00 0.00 174.62 173.53 1bcx n ASP 4 N -0.91 0.53 -4.05 3.99 5.68 0.22 -4.98 116.55 117.04 1bcx n ASP 4 Ca 0.05 -1.21 -0.21 0.00 -0.50 0.00 0.00 54.79 52.91 1bcx n ASP 4 Cb 0.54 0.00 -0.15 0.00 -1.14 0.00 0.00 41.12 40.36 1bcx n ASP 4 CO 0.00 0.00 0.00 -0.47 -1.33 0.00 0.00 177.20 175.40 1bcx s TYR 5 N -0.21 1.10 -0.19 2.11 5.04 -0.69 -4.67 117.35 119.84 1bcx s TYR 5 Ca 0.00 -0.26 0.01 0.00 -2.44 0.00 0.00 57.07 54.38 1bcx s TYR 5 Cb 0.00 -0.75 0.03 0.00 0.35 0.00 0.00 41.96 41.59 1bcx s TYR 5 CO 0.00 -0.08 -0.18 -0.46 -1.34 0.00 0.00 175.55 173.49 1bcx s TRP 6 N 0.00 2.83 -0.23 4.97 -0.00 -1.26 -1.77 118.94 123.48 1bcx s TRP 6 Ca -0.00 -1.75 -0.08 0.00 -0.00 0.00 0.00 56.10 54.27 1bcx s TRP 6 Cb -0.08 -1.91 -0.03 0.00 -0.00 0.00 0.00 33.47 31.45 1bcx s TRP 6 CO 0.00 -0.82 0.08 -1.14 -0.00 0.00 0.00 176.95 175.07 1bcx s GLN 7 N 1.27 3.76 -0.39 5.86 2.00 0.32 -4.99 119.66 127.48 1bcx s GLN 7 Ca 0.03 -0.43 0.03 0.00 -2.00 0.00 0.00 55.36 52.98 1bcx s GLN 7 Cb -0.14 -3.32 0.16 0.00 0.80 0.00 0.00 33.01 30.51 1bcx s GLN 7 CO -0.12 -0.07 0.36 1.21 -0.50 0.00 0.00 175.29 176.17 1bcx s ASN 8 N 1.31 1.41 -0.06 6.67 2.47 -1.25 -0.82 114.94 124.66 1bcx s ASN 8 Ca 0.05 -2.11 0.05 0.00 0.42 0.00 0.00 52.86 51.27 1bcx s ASN 8 Cb -0.15 0.21 -0.01 0.00 -1.45 0.00 0.00 41.25 39.86 1bcx s ASN 8 CO 0.04 -0.23 -0.24 0.86 -3.72 0.00 0.00 177.10 173.81 1bcx s TRP 9 N 0.95 2.35 0.02 0.43 -0.00 -0.20 -5.02 118.94 117.47 1bcx s TRP 9 Ca 0.22 -0.75 -0.01 0.00 -0.00 0.00 0.00 56.10 55.56 1bcx s TRP 9 Cb -0.11 -1.55 -0.02 0.00 -0.00 0.00 0.00 33.47 31.78 1bcx s TRP 9 CO -0.06 -0.25 -0.02 -0.08 -0.00 0.00 0.00 176.95 176.55 1bcx s THR 10 N -0.03 0.11 -2.05 5.86 -1.32 -1.26 -0.66 115.64 116.29 1bcx s THR 10 Ca -0.07 -0.94 0.11 0.00 -1.21 0.00 0.00 61.69 59.59 1bcx s THR 10 Cb -0.14 -0.34 0.29 0.00 -1.51 0.00 0.00 72.50 70.80 1bcx s THR 10 CO 0.04 -0.52 1.30 -0.90 -2.21 0.00 0.00 174.62 172.33 1bcx n ASP 11 N 1.51 1.33 0.00 8.08 5.68 -0.79 -4.90 116.55 127.46 1bcx n ASP 11 Ca -0.23 -1.90 0.00 0.00 -0.50 0.00 0.00 54.79 52.15 1bcx n ASP 11 Cb 0.55 -0.15 0.00 0.00 -1.14 0.00 0.00 41.12 40.39 1bcx n ASP 11 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1bcx n GLY 12 N 0.94 0.26 3.75 6.12 0.00 -1.26 -4.98 105.19 110.02 1bcx n GLY 12 Ca 0.10 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.73 1bcx n GLY 12 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1bcx s GLY 13 N -1.87 2.84 0.00 -0.02 0.00 -1.26 -4.93 107.32 102.08 1bcx s GLY 13 Ca 0.00 0.33 0.00 0.00 0.00 0.00 0.00 44.72 45.05 1bcx s GLY 13 CO 0.00 1.08 0.00 0.61 0.00 0.00 0.00 173.10 174.79 1bcx n GLY 14 N 2.19 0.69 3.40 0.20 0.00 -1.20 -3.05 105.19 107.42 1bcx n GLY 14 Ca -0.03 -0.76 -0.34 0.00 0.00 0.00 0.00 46.02 44.89 1bcx n GLY 14 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1bcx s ILE 15 N 0.00 3.40 -0.37 -0.61 1.01 -0.45 -4.95 121.20 119.23 1bcx s ILE 15 Ca 0.00 -0.52 0.01 0.00 0.00 0.00 0.00 60.65 60.13 1bcx s ILE 15 Cb 0.00 -2.48 0.12 0.00 0.01 0.00 0.00 42.46 40.11 1bcx s ILE 15 CO 0.00 0.49 0.17 -0.69 0.00 0.00 0.00 174.94 174.91 1bcx s VAL 16 N 0.61 1.08 -0.84 2.92 1.01 -1.26 -0.81 120.40 123.10 1bcx s VAL 16 Ca -0.05 -1.96 -0.17 0.00 0.00 0.00 0.00 61.98 59.80 1bcx s VAL 16 Cb -0.15 -1.78 0.16 0.00 0.00 0.00 0.00 36.38 34.60 1bcx s VAL 16 CO 0.03 -0.80 0.95 0.21 0.00 0.00 0.00 175.10 175.48 1bcx s ASN 17 N 1.00 6.60 -0.20 3.32 3.04 0.54 -4.97 114.94 124.28 1bcx s ASN 17 Ca 0.14 -2.16 -0.13 0.00 0.04 0.00 0.00 52.86 50.75 1bcx s ASN 17 Cb -0.21 -2.32 -0.05 0.00 -1.54 0.00 0.00 41.25 37.13 1bcx s ASN 17 CO -0.11 -0.91 0.27 0.00 -3.04 0.00 0.00 177.10 173.31 1bcx s ALA 18 N 1.87 3.59 -0.18 1.71 0.00 -1.26 -1.44 121.76 126.05 1bcx s ALA 18 Ca 0.25 -0.62 -0.02 0.00 0.00 0.00 0.00 51.96 51.56 1bcx s ALA 18 Cb -0.09 -2.43 -0.01 0.00 0.00 0.00 0.00 23.12 20.58 1bcx s ALA 18 CO -0.07 -0.12 -0.08 0.08 0.00 0.00 0.00 175.76 175.57 1bcx s VAL 19 N 0.91 3.18 -0.72 0.00 1.01 0.02 -5.00 120.40 119.80 1bcx s VAL 19 Ca 0.14 -0.58 -0.21 0.00 0.00 0.00 0.00 61.98 61.33 1bcx s VAL 19 Cb -0.13 -2.40 0.09 0.00 0.00 0.00 0.00 36.38 33.93 1bcx s VAL 19 CO 0.05 0.47 0.99 0.21 0.00 0.00 0.00 175.10 176.82 1bcx s ASN 20 N 1.04 6.29 0.71 3.32 3.84 -1.26 -2.38 114.94 126.49 1bcx s ASN 20 Ca -0.00 -1.30 0.00 0.00 0.21 0.00 0.00 52.86 51.77 1bcx s ASN 20 Cb -0.15 -2.41 0.00 0.00 -0.55 0.00 0.00 41.25 38.15 1bcx s ASN 20 CO -0.01 -1.32 0.00 0.61 -2.79 0.00 0.00 177.10 173.59 1bcx n GLY 21 N 5.39 -0.53 3.77 1.21 0.00 -0.17 -5.01 105.19 109.84 1bcx n GLY 21 Ca 0.03 -1.75 -0.38 0.00 0.00 0.00 0.00 46.02 43.92 1bcx n GLY 21 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1bcx s SER 22 N -1.00 6.40 1.44 1.61 0.15 -1.26 -4.58 113.70 116.47 1bcx s SER 22 Ca 0.00 2.40 0.00 0.00 0.70 0.00 0.00 55.95 59.05 1bcx s SER 22 Cb 0.00 -2.62 0.00 0.00 -1.71 0.00 0.00 66.02 61.69 1bcx s SER 22 CO 0.00 -0.76 0.00 0.61 1.20 0.00 0.00 173.24 174.29 1bcx n GLY 23 N 0.61 3.42 1.73 9.45 0.00 -1.26 -1.07 105.19 118.08 1bcx n GLY 23 Ca 0.05 -0.01 0.04 0.00 0.00 0.00 0.00 46.02 46.10 1bcx n GLY 23 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1bcx n GLY 24 N 0.00 2.87 3.83 -0.02 0.00 -1.26 -4.85 105.19 105.76 1bcx n GLY 24 Ca 0.00 -0.81 -0.38 0.00 0.00 0.00 0.00 46.02 44.83 1bcx n GLY 24 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1bcx s ASN 25 N -0.69 6.78 0.08 1.61 3.84 -0.23 -0.39 114.94 125.93 1bcx s ASN 25 Ca 0.47 0.92 -0.13 0.00 0.21 0.00 0.00 52.86 54.34 1bcx s ASN 25 Cb 0.36 -2.24 0.02 0.00 -0.55 0.00 0.00 41.25 38.84 1bcx s ASN 25 CO 0.13 0.31 0.29 -0.72 -2.79 0.00 0.00 177.10 174.32 1bcx s TYR 26 N -0.94 -0.04 0.05 0.43 -0.85 -0.36 -1.00 117.35 114.65 1bcx s TYR 26 Ca 0.23 -0.25 0.00 0.00 -0.52 0.00 0.00 57.07 56.54 1bcx s TYR 26 Cb -0.16 0.09 -0.03 0.00 0.38 0.00 0.00 41.96 42.23 1bcx s TYR 26 CO 0.13 -0.57 -0.04 -1.54 -1.52 0.00 0.00 175.55 172.00 1bcx s SER 27 N -2.55 0.64 -0.03 -0.18 1.04 -1.00 -1.27 113.70 110.34 1bcx s SER 27 Ca 0.01 -0.84 -0.01 0.00 0.48 0.00 0.00 55.95 55.58 1bcx s SER 27 Cb 0.02 0.13 0.02 0.00 0.10 0.00 0.00 66.02 66.29 1bcx s SER 27 CO -0.09 -0.46 0.06 -0.69 0.98 0.00 0.00 173.24 173.05 1bcx s VAL 28 N -3.03 -0.02 -0.13 5.02 1.01 -0.40 -0.80 120.40 122.04 1bcx s VAL 28 Ca 0.01 0.08 0.01 0.00 0.00 0.00 0.00 61.98 62.08 1bcx s VAL 28 Cb 0.01 -0.10 0.02 0.00 0.00 0.00 0.00 36.38 36.31 1bcx s VAL 28 CO -0.06 0.03 -0.15 0.20 0.00 0.00 0.00 175.10 175.12 1bcx s ASN 29 N 0.44 2.64 0.08 3.32 0.01 -0.52 -1.76 114.94 119.14 1bcx s ASN 29 Ca -0.03 -0.48 0.05 0.00 -0.71 0.00 0.00 52.86 51.69 1bcx s ASN 29 Cb -0.05 -1.17 -0.03 0.00 0.41 0.00 0.00 41.25 40.41 1bcx s ASN 29 CO -0.02 -0.02 -0.14 -1.66 -1.51 0.00 0.00 177.10 173.75 1bcx s TRP 30 N 1.27 1.24 -0.14 2.20 -2.14 -0.45 -0.34 118.94 120.58 1bcx s TRP 30 Ca 0.00 -0.49 -0.07 0.00 2.66 0.00 0.00 56.10 58.21 1bcx s TRP 30 Cb -0.14 -0.69 0.06 0.00 -3.10 0.00 0.00 33.47 29.60 1bcx s TRP 30 CO -0.07 0.07 0.34 0.45 -2.66 0.00 0.00 176.95 175.07 1bcx s SER 31 N -1.89 -0.30 -1.23 -2.66 0.15 0.01 -1.19 113.70 106.59 1bcx s SER 31 Ca 0.00 0.74 -0.27 0.00 0.70 0.00 0.00 55.95 57.11 1bcx s SER 31 Cb -0.09 0.69 0.03 0.00 -1.71 0.00 0.00 66.02 64.94 1bcx s SER 31 CO 0.02 -0.19 0.65 0.59 1.20 0.00 0.00 173.24 175.51 1bcx n ASN 32 N 4.49 -3.93 -4.59 5.45 3.02 -0.80 -1.34 115.26 117.56 1bcx n ASN 32 Ca -0.21 -1.21 -0.24 0.00 -0.03 0.00 0.00 54.58 52.89 1bcx n ASN 32 Cb 0.53 -2.18 0.12 0.00 -0.61 0.00 0.00 39.78 37.64 1bcx n ASN 32 CO 0.00 0.00 0.00 0.42 -2.62 0.00 0.00 177.26 175.06 1bcx s THR 33 N -3.59 2.10 0.00 3.41 -4.23 -1.06 -3.23 115.64 109.05 1bcx s THR 33 Ca 0.44 -0.51 0.00 0.00 -1.18 0.00 0.00 61.69 60.44 1bcx s THR 33 Cb -0.22 -2.59 0.00 0.00 1.34 0.00 0.00 72.50 71.03 1bcx s THR 33 CO 0.94 0.00 0.00 0.61 -0.54 0.00 0.00 174.62 175.63 1bcx n GLY 34 N -2.98 0.69 3.89 3.99 0.00 -1.17 -3.21 105.19 106.40 1bcx n GLY 34 Ca 0.15 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.83 1bcx n GLY 34 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1bcx s ASN 35 N -0.74 6.44 -0.01 1.61 0.01 -1.26 -1.57 114.94 119.42 1bcx s ASN 35 Ca 0.00 0.48 -0.25 0.00 -0.71 0.00 0.00 52.86 52.38 1bcx s ASN 35 Cb 0.00 -2.06 0.06 0.00 0.41 0.00 0.00 41.25 39.66 1bcx s ASN 35 CO 0.00 0.28 0.57 0.72 -1.51 0.00 0.00 177.10 177.15 1bcx s PHE 36 N -1.27 -0.50 -0.04 2.20 -0.71 -0.97 -1.88 117.98 114.80 1bcx s PHE 36 Ca 0.26 0.77 -0.02 0.00 -1.04 0.00 0.00 56.93 56.90 1bcx s PHE 36 Cb -0.13 0.34 0.03 0.00 -1.21 0.00 0.00 43.02 42.05 1bcx s PHE 36 CO 0.15 -0.59 0.04 0.08 -1.34 0.00 0.00 175.22 173.57 1bcx s VAL 37 N -1.64 0.00 -0.04 -2.49 1.01 0.17 -1.94 120.40 115.47 1bcx s VAL 37 Ca -0.10 0.34 0.03 0.00 0.00 0.00 0.00 61.98 62.25 1bcx s VAL 37 Cb -0.01 -0.23 0.00 0.00 0.00 0.00 0.00 36.38 36.14 1bcx s VAL 37 CO 0.05 0.19 -0.12 -0.69 0.00 0.00 0.00 175.10 174.53 1bcx s VAL 38 N 1.99 1.04 0.00 2.92 1.01 -0.47 -1.04 120.40 125.86 1bcx s VAL 38 Ca 0.03 -0.50 0.00 0.00 0.00 0.00 0.00 61.98 61.52 1bcx s VAL 38 Cb -0.12 -0.92 0.00 0.00 0.00 0.00 0.00 36.38 35.34 1bcx s VAL 38 CO -0.03 0.31 0.00 0.61 0.00 0.00 0.00 175.10 175.99 1bcx n GLY 39 N 3.29 0.40 3.44 4.51 0.00 -0.00 -0.76 105.19 116.06 1bcx n GLY 39 Ca -0.19 -0.81 -0.29 0.00 0.00 0.00 0.00 46.02 44.73 1bcx n GLY 39 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1bcx s LYS 40 N -2.00 1.64 0.00 1.61 1.02 -1.20 -0.52 119.74 120.29 1bcx s LYS 40 Ca 0.00 -1.23 0.00 0.00 0.02 0.00 0.00 55.97 54.76 1bcx s LYS 40 Cb 0.00 -2.02 0.00 0.00 -0.52 0.00 0.00 37.83 35.29 1bcx s LYS 40 CO 0.00 0.47 0.00 0.41 -0.92 0.00 0.00 175.35 175.31 1bcx n GLY 41 N 0.93 -0.69 3.23 -3.33 0.00 -0.73 -1.31 105.19 103.30 1bcx n GLY 41 Ca -0.17 0.27 -0.26 0.00 0.00 0.00 0.00 46.02 45.86 1bcx n GLY 41 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1bcx s TRP 42 N -0.98 1.82 0.31 1.61 0.51 0.14 -0.61 118.94 121.74 1bcx s TRP 42 Ca 0.00 -0.36 0.01 0.00 -2.12 0.00 0.00 56.10 53.63 1bcx s TRP 42 Cb 0.00 -1.12 0.51 0.00 -0.81 0.00 0.00 33.47 32.04 1bcx s TRP 42 CO 0.00 0.03 1.89 1.15 -0.51 0.00 0.00 176.95 179.52 1bcx h THR 43 N 4.49 1.20 -3.21 2.01 2.02 -1.86 -1.20 112.91 116.36 1bcx h THR 43 Ca -0.41 -0.65 -0.64 0.00 0.77 0.00 0.00 66.41 65.48 1bcx h THR 43 Cb 1.15 0.58 -0.36 0.00 -1.74 0.00 0.00 68.15 67.79 1bcx h THR 43 CO 0.46 0.25 -0.84 -0.89 0.37 0.00 0.00 175.52 174.87 1bcx s THR 44 N -5.33 1.89 0.80 3.16 2.01 -1.26 -2.68 115.64 114.23 1bcx s THR 44 Ca -0.09 -0.94 -0.11 0.00 0.31 0.00 0.00 61.69 60.85 1bcx s THR 44 Cb 0.16 -1.78 0.07 0.00 0.01 0.00 0.00 72.50 70.96 1bcx s THR 44 CO 0.78 0.41 1.10 -0.83 -0.69 0.00 0.00 174.62 175.39 1bcx s GLY 45 N 1.34 1.62 -0.06 4.40 0.00 0.79 -4.82 107.32 110.59 1bcx s GLY 45 Ca 0.03 -0.19 -0.07 0.00 0.00 0.00 0.00 44.72 44.49 1bcx s GLY 45 CO -0.11 0.24 0.18 -0.45 0.00 0.00 0.00 173.10 172.97 1bcx s SER 46 N -3.87 -0.16 0.00 1.64 0.15 -1.26 -4.86 113.70 105.34 1bcx s SER 46 Ca 0.61 0.29 0.27 0.00 0.70 0.00 0.00 55.95 57.82 1bcx s SER 46 Cb -0.15 0.36 1.26 0.00 -1.71 0.00 0.00 66.02 65.78 1bcx s SER 46 CO 0.54 -0.12 1.90 -0.81 1.20 0.00 0.00 173.24 175.96 1bcx n PRO 47 N 2.71 0.18 0.00 5.44 -0.04 -1.26 -3.31 135.00 138.72 1bcx n PRO 47 Ca -0.14 0.03 0.11 0.00 -0.04 0.00 0.00 63.50 63.46 1bcx n PRO 47 Cb 0.58 -1.50 0.01 0.00 -0.04 0.00 0.00 33.50 32.55 1bcx n PRO 47 CO 0.00 0.00 0.00 1.19 -0.04 0.00 0.00 175.50 176.65 1bcx n PHE 48 N -1.40 0.00 -2.15 0.54 3.72 -1.26 -3.21 117.46 113.69 1bcx n PHE 48 Ca 0.09 0.00 -0.39 0.00 -0.05 0.00 0.00 57.45 57.10 1bcx n PHE 48 Cb 0.27 -0.02 -0.01 0.00 -0.94 0.00 0.00 39.48 38.78 1bcx n PHE 48 CO 0.00 0.00 0.00 0.50 -0.05 0.00 0.00 176.76 177.21 1bcx s ARG 49 N -2.60 4.03 -0.26 -1.08 3.52 -1.21 -4.78 118.95 116.56 1bcx s ARG 49 Ca 0.17 2.03 -0.02 0.00 -0.13 0.00 0.00 55.73 57.77 1bcx s ARG 49 Cb 0.18 -2.75 0.03 0.00 -1.56 0.00 0.00 34.95 30.84 1bcx s ARG 49 CO 0.63 -0.40 -0.03 0.99 -0.81 0.00 0.00 175.30 175.68 1bcx s THR 50 N -1.31 3.04 -0.14 4.11 2.01 -1.26 -2.95 115.64 119.14 1bcx s THR 50 Ca 0.56 -1.02 -0.14 0.00 0.31 0.00 0.00 61.69 61.40 1bcx s THR 50 Cb -0.35 -2.57 -0.05 0.00 0.01 0.00 0.00 72.50 69.54 1bcx s THR 50 CO 0.45 0.14 0.31 -0.63 -0.69 0.00 0.00 174.62 174.21 1bcx s ILE 51 N 1.34 5.28 -0.01 1.82 1.09 -0.51 -4.95 121.20 125.27 1bcx s ILE 51 Ca -0.00 0.60 0.04 0.00 -1.10 0.00 0.00 60.65 60.19 1bcx s ILE 51 Cb -0.17 -3.65 -0.03 0.00 -1.06 0.00 0.00 42.46 37.55 1bcx s ILE 51 CO -0.03 0.41 -0.12 0.20 -0.10 0.00 0.00 174.94 175.30 1bcx s ASN 52 N 0.27 4.22 0.17 3.58 0.01 -0.10 -0.65 114.94 122.44 1bcx s ASN 52 Ca 0.18 -0.23 -0.18 0.00 -0.71 0.00 0.00 52.86 51.92 1bcx s ASN 52 Cb -0.13 -0.88 0.04 0.00 0.41 0.00 0.00 41.25 40.68 1bcx s ASN 52 CO 0.05 0.30 0.50 -0.72 -1.51 0.00 0.00 177.10 175.72 1bcx s TYR 53 N -0.89 -0.21 -0.17 2.20 1.13 -0.35 -1.10 117.35 117.97 1bcx s TYR 53 Ca 0.14 -0.11 -0.04 0.00 -1.41 0.00 0.00 57.07 55.65 1bcx s TYR 53 Cb -0.11 0.37 0.07 0.00 -1.10 0.00 0.00 41.96 41.20 1bcx s TYR 53 CO 0.04 -0.84 0.18 1.21 -2.51 0.00 0.00 175.55 173.64 1bcx s ASN 54 N -2.83 1.41 -0.71 -0.18 3.04 -0.17 -0.27 114.94 115.22 1bcx s ASN 54 Ca 0.06 -0.16 -0.20 0.00 0.04 0.00 0.00 52.86 52.61 1bcx s ASN 54 Cb -0.00 0.23 0.11 0.00 -1.54 0.00 0.00 41.25 40.05 1bcx s ASN 54 CO -0.07 -0.31 0.89 0.00 -3.04 0.00 0.00 177.10 174.57 1bcx s ALA 55 N 2.28 3.35 0.34 1.71 0.00 -1.26 -1.23 121.76 126.96 1bcx s ALA 55 Ca 0.05 -2.31 0.08 0.00 0.00 0.00 0.00 51.96 49.77 1bcx s ALA 55 Cb -0.15 -3.76 0.63 0.00 0.00 0.00 0.00 23.12 19.84 1bcx s ALA 55 CO -0.10 -2.64 1.82 0.78 0.00 0.00 0.00 175.76 175.63 1bcx h GLY 56 N 10.38 0.29 -6.51 0.00 0.00 -1.39 -1.01 103.07 104.83 1bcx h GLY 56 Ca -0.16 -0.21 -0.43 0.00 0.00 0.00 0.00 47.33 46.53 1bcx h GLY 56 CO 1.11 0.20 -0.77 0.14 0.00 0.00 0.00 176.54 177.21 1bcx s VAL 57 N -4.51 0.54 -0.32 4.60 1.01 -0.96 -4.79 120.40 115.97 1bcx s VAL 57 Ca -0.05 -0.07 -0.02 0.00 0.00 0.00 0.00 61.98 61.84 1bcx s VAL 57 Cb 0.15 -0.61 0.12 0.00 0.00 0.00 0.00 36.38 36.03 1bcx s VAL 57 CO 0.75 0.25 0.16 0.86 0.00 0.00 0.00 175.10 177.13 1bcx s TRP 58 N 1.32 0.58 -0.44 5.22 -0.11 -1.26 -0.65 118.94 123.60 1bcx s TRP 58 Ca -0.05 -1.24 0.08 0.00 1.22 0.00 0.00 56.10 56.11 1bcx s TRP 58 Cb -0.14 -0.97 0.27 0.00 -1.50 0.00 0.00 33.47 31.14 1bcx s TRP 58 CO -0.02 -0.83 0.61 0.00 -4.62 0.00 0.00 176.95 172.08 1bcx n ALA 59 N 4.73 2.75 -1.88 5.86 0.00 0.15 -5.03 120.51 127.09 1bcx n ALA 59 Ca 0.01 -3.70 -0.37 0.00 0.00 0.00 0.00 53.44 49.39 1bcx n ALA 59 Cb 0.40 -0.84 -0.06 0.00 0.00 0.00 0.00 19.45 18.95 1bcx n ALA 59 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 1bcx s PRO 60 N -1.68 4.49 -0.75 0.00 0.04 -1.26 -1.84 135.00 134.02 1bcx s PRO 60 Ca 0.37 1.20 0.04 0.00 0.04 0.00 0.00 61.00 62.64 1bcx s PRO 60 Cb 0.20 -2.84 0.25 0.00 0.04 0.00 0.00 34.50 32.15 1bcx s PRO 60 CO -0.09 0.32 0.87 0.09 0.04 0.00 0.00 177.00 178.23 1bcx n ASN 61 N 0.65 4.24 0.00 6.66 3.02 0.72 -4.88 115.26 125.67 1bcx n ASN 61 Ca 0.00 -3.40 0.00 0.00 -0.03 0.00 0.00 54.58 51.15 1bcx n ASN 61 Cb 0.50 -0.82 0.00 0.00 -0.61 0.00 0.00 39.78 38.86 1bcx n ASN 61 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1bcx n GLY 62 N 1.12 0.79 3.60 7.41 0.00 -1.26 -3.12 105.19 113.73 1bcx n GLY 62 Ca 0.28 -1.82 -0.43 0.00 0.00 0.00 0.00 46.02 44.05 1bcx n GLY 62 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1bcx s ASN 63 N -4.00 6.50 -0.15 1.61 3.04 -1.26 -1.61 114.94 119.07 1bcx s ASN 63 Ca 0.00 0.68 -0.24 0.00 0.04 0.00 0.00 52.86 53.33 1bcx s ASN 63 Cb 0.00 -2.54 0.06 0.00 -1.54 0.00 0.00 41.25 37.23 1bcx s ASN 63 CO 0.00 -1.33 0.62 -0.83 -3.04 0.00 0.00 177.10 172.52 1bcx s GLY 64 N 3.16 -0.48 0.02 1.21 0.00 -1.26 -2.49 107.32 107.49 1bcx s GLY 64 Ca 0.55 1.48 0.08 0.00 0.00 0.00 0.00 44.72 46.82 1bcx s GLY 64 CO 0.32 1.19 -0.23 -0.19 0.00 0.00 0.00 173.10 174.19 1bcx s TYR 65 N -0.37 2.42 -0.36 1.90 2.02 0.49 -1.35 117.35 122.09 1bcx s TYR 65 Ca -0.05 -0.36 -0.06 0.00 -0.37 0.00 0.00 57.07 56.23 1bcx s TYR 65 Cb -0.03 -1.45 0.06 0.00 -0.40 0.00 0.00 41.96 40.13 1bcx s TYR 65 CO 0.04 0.13 0.13 -1.17 -1.57 0.00 0.00 175.55 173.12 1bcx s LEU 66 N -1.10 4.54 -0.03 -1.29 2.96 -0.05 -1.60 118.68 122.10 1bcx s LEU 66 Ca 0.12 -1.31 -0.19 0.00 -0.22 0.00 0.00 54.13 52.53 1bcx s LEU 66 Cb -0.10 -1.87 0.04 0.00 0.50 0.00 0.00 46.19 44.75 1bcx s LEU 66 CO 0.02 -0.38 0.41 0.28 -1.32 0.00 0.00 176.35 175.36 1bcx s THR 67 N 1.37 0.04 0.35 3.68 -1.32 -0.46 -1.64 115.64 117.66 1bcx s THR 67 Ca -0.00 -0.33 -0.27 0.00 -1.21 0.00 0.00 61.69 59.88 1bcx s THR 67 Cb -0.21 -0.71 -0.09 0.00 -1.51 0.00 0.00 72.50 69.98 1bcx s THR 67 CO 0.02 -0.18 1.13 -0.22 -2.21 0.00 0.00 174.62 173.16 1bcx s LEU 68 N -1.19 4.34 -0.06 9.08 2.96 -0.06 -0.34 118.68 133.40 1bcx s LEU 68 Ca -0.12 2.29 -0.05 0.00 -0.22 0.00 0.00 54.13 56.03 1bcx s LEU 68 Cb -0.04 -3.87 0.02 0.00 0.50 0.00 0.00 46.19 42.81 1bcx s LEU 68 CO 0.05 -0.43 0.16 -0.47 -1.32 0.00 0.00 176.35 174.35 1bcx s TYR 69 N -1.34 -0.19 0.13 5.38 5.04 0.14 -1.80 117.35 124.72 1bcx s TYR 69 Ca 0.52 0.47 -0.24 0.00 -2.44 0.00 0.00 57.07 55.37 1bcx s TYR 69 Cb -0.30 0.03 0.08 0.00 0.35 0.00 0.00 41.96 42.11 1bcx s TYR 69 CO 0.39 -0.11 1.08 0.20 -1.34 0.00 0.00 175.55 175.76 1bcx s GLY 70 N 0.42 -0.05 0.08 8.97 0.00 -0.96 -0.31 107.32 115.46 1bcx s GLY 70 Ca -0.03 -0.07 0.02 0.00 0.00 0.00 0.00 44.72 44.64 1bcx s GLY 70 CO -0.02 1.91 -0.07 -0.98 0.00 0.00 0.00 173.10 173.94 1bcx s TRP 71 N -2.45 0.82 0.12 1.90 0.52 -1.08 -1.10 118.94 117.67 1bcx s TRP 71 Ca 0.19 -0.78 0.03 0.00 0.02 0.00 0.00 56.10 55.57 1bcx s TRP 71 Cb -0.01 -0.48 -0.04 0.00 -1.15 0.00 0.00 33.47 31.79 1bcx s TRP 71 CO 0.03 -0.13 -0.09 0.95 0.02 0.00 0.00 176.95 177.73 1bcx s THR 72 N -2.88 0.95 0.23 2.01 -4.23 -0.59 -1.53 115.64 109.60 1bcx s THR 72 Ca 0.05 -1.87 0.11 0.00 -1.18 0.00 0.00 61.69 58.79 1bcx s THR 72 Cb 0.00 -1.62 -0.05 0.00 1.34 0.00 0.00 72.50 72.18 1bcx s THR 72 CO -0.03 -0.71 -0.15 -0.13 -0.54 0.00 0.00 174.62 173.06 1bcx s ARG 73 N -3.41 1.85 -0.92 3.99 0.52 0.94 -1.78 118.95 120.13 1bcx s ARG 73 Ca 0.11 -1.52 -0.04 0.00 -0.52 0.00 0.00 55.73 53.77 1bcx s ARG 73 Cb 0.01 -1.96 -0.04 0.00 0.52 0.00 0.00 34.95 33.49 1bcx s ARG 73 CO -0.01 0.38 0.82 0.43 0.02 0.00 0.00 175.30 176.94 1bcx n SER 74 N -0.28 -7.12 -4.94 0.23 7.64 -1.26 -2.03 113.62 105.85 1bcx n SER 74 Ca -0.09 -0.44 -0.24 0.00 1.01 0.00 0.00 58.87 59.11 1bcx n SER 74 Cb 0.58 -5.21 0.04 0.00 -1.01 0.00 0.00 64.21 58.61 1bcx n SER 74 CO 0.00 0.00 0.00 -2.16 -3.01 0.00 0.00 175.04 169.87 1bcx s PRO 75 N -3.83 2.67 -0.29 1.43 0.04 -1.26 -1.52 135.00 132.24 1bcx s PRO 75 Ca 0.26 -0.37 -0.29 0.00 0.04 0.00 0.00 61.00 60.64 1bcx s PRO 75 Cb -0.04 -2.36 -0.01 0.00 0.04 0.00 0.00 34.50 32.13 1bcx s PRO 75 CO 0.75 -0.75 1.55 -1.17 0.04 0.00 0.00 177.00 177.43 1bcx s LEU 76 N -4.90 3.76 -0.02 -3.56 2.96 -1.26 -4.23 118.68 111.43 1bcx s LEU 76 Ca 0.55 1.34 0.01 0.00 -0.22 0.00 0.00 54.13 55.81 1bcx s LEU 76 Cb -0.10 -3.53 0.02 0.00 0.50 0.00 0.00 46.19 43.07 1bcx s LEU 76 CO 0.42 -1.34 -0.02 -0.63 -1.32 0.00 0.00 176.35 173.46 1bcx s ILE 77 N 5.39 0.28 -0.20 6.68 1.01 -0.74 -3.88 121.20 129.75 1bcx s ILE 77 Ca 0.68 -0.04 -0.06 0.00 0.00 0.00 0.00 60.65 61.23 1bcx s ILE 77 Cb -0.21 -0.32 -0.03 0.00 0.01 0.00 0.00 42.46 41.91 1bcx s ILE 77 CO 0.30 0.14 0.04 -0.70 0.00 0.00 0.00 174.94 174.71 1bcx s GLU 78 N 0.59 3.75 0.23 2.79 2.12 -0.97 -1.54 118.70 125.68 1bcx s GLU 78 Ca -0.06 -0.45 0.10 0.00 0.36 0.00 0.00 54.97 54.92 1bcx s GLU 78 Cb -0.09 -3.18 -0.05 0.00 0.26 0.00 0.00 34.13 31.07 1bcx s GLU 78 CO -0.01 0.07 -0.19 1.52 -0.54 0.00 0.00 175.26 176.11 1bcx s TYR 79 N 0.89 2.06 0.01 5.30 -0.85 -0.26 -1.83 117.35 122.68 1bcx s TYR 79 Ca 0.02 -0.42 -0.01 0.00 -0.52 0.00 0.00 57.07 56.14 1bcx s TYR 79 Cb -0.14 -0.94 -0.01 0.00 0.38 0.00 0.00 41.96 41.25 1bcx s TYR 79 CO 0.02 0.54 0.01 0.71 -1.52 0.00 0.00 175.55 175.31 1bcx s TYR 80 N -2.49 0.17 -0.36 -3.49 1.51 -0.28 -2.27 117.35 110.14 1bcx s TYR 80 Ca 0.25 -0.35 0.00 0.00 -1.01 0.00 0.00 57.07 55.96 1bcx s TYR 80 Cb -0.04 -0.13 0.12 0.00 -0.11 0.00 0.00 41.96 41.80 1bcx s TYR 80 CO 0.11 -0.17 0.16 0.08 -1.11 0.00 0.00 175.55 174.62 1bcx s VAL 81 N -1.18 0.94 -0.32 0.71 1.01 -0.75 -1.61 120.40 119.21 1bcx s VAL 81 Ca -0.13 -1.83 -0.24 0.00 0.00 0.00 0.00 61.98 59.78 1bcx s VAL 81 Cb -0.08 -1.69 0.00 0.00 0.00 0.00 0.00 36.38 34.62 1bcx s VAL 81 CO -0.00 -0.80 0.82 -0.69 0.00 0.00 0.00 175.10 174.42 1bcx s VAL 82 N 1.11 4.76 -0.15 2.92 1.01 0.40 -0.88 120.40 129.56 1bcx s VAL 82 Ca 0.14 1.19 0.08 0.00 0.00 0.00 0.00 61.98 63.39 1bcx s VAL 82 Cb -0.21 -4.18 -0.23 0.00 0.00 0.00 0.00 36.38 31.76 1bcx s VAL 82 CO -0.13 -0.30 0.26 0.47 0.00 0.00 0.00 175.10 175.40 1bcx n ASP 83 N 6.30 1.12 -3.94 3.32 8.00 -0.65 -1.24 116.55 129.47 1bcx n ASP 83 Ca 0.04 0.14 -0.10 0.00 0.71 0.00 0.00 54.79 55.59 1bcx n ASP 83 Cb 0.48 -0.01 -0.07 0.00 -0.02 0.00 0.00 41.12 41.51 1bcx n ASP 83 CO 0.00 0.00 0.00 -0.55 -0.39 0.00 0.00 177.20 176.26 1bcx s SER 84 N -6.21 0.00 0.34 -2.24 0.15 -1.07 -1.04 113.70 103.63 1bcx s SER 84 Ca -0.16 -0.83 -0.07 0.00 0.70 0.00 0.00 55.95 55.59 1bcx s SER 84 Cb 0.07 0.45 0.03 0.00 -1.71 0.00 0.00 66.02 64.86 1bcx s SER 84 CO 0.77 -0.92 0.56 -2.67 1.20 0.00 0.00 173.24 172.18 1bcx n TRP 85 N -0.23 -1.74 0.00 3.44 2.14 -1.26 -0.87 117.44 118.92 1bcx n TRP 85 Ca -0.07 -1.97 0.00 0.00 2.07 0.00 0.00 57.50 57.53 1bcx n TRP 85 Cb 0.63 0.65 0.00 0.00 -0.81 0.00 0.00 31.31 31.78 1bcx n TRP 85 CO 0.00 0.00 0.00 0.41 2.07 0.00 0.00 177.69 180.17 1bcx n GLY 86 N -0.51 0.46 0.03 -1.67 0.00 -0.46 -4.94 105.19 98.10 1bcx n GLY 86 Ca -0.03 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.12 1bcx n GLY 86 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1bcx n THR 87 N 0.00 0.14 -3.96 2.61 -2.24 -0.63 -4.80 114.28 105.40 1bcx n THR 87 Ca 0.00 -0.08 -0.25 0.00 -2.27 0.00 0.00 64.05 61.45 1bcx n THR 87 Cb 0.00 -0.31 -0.17 0.00 -2.10 0.00 0.00 70.33 67.75 1bcx n THR 87 CO 0.00 0.00 0.00 -0.47 -0.57 0.00 0.00 175.07 174.03 1bcx s TYR 88 N -3.04 1.21 -0.28 4.78 5.04 -1.26 -4.99 117.35 118.81 1bcx s TYR 88 Ca 0.12 -0.53 -0.21 0.00 -2.44 0.00 0.00 57.07 54.01 1bcx s TYR 88 Cb 0.17 -1.06 -0.01 0.00 0.35 0.00 0.00 41.96 41.41 1bcx s TYR 88 CO 0.60 -0.42 0.65 0.50 -1.34 0.00 0.00 175.55 175.55 1bcx s ARG 89 N 1.61 4.01 0.23 4.97 3.52 -1.26 -4.82 118.95 127.20 1bcx s ARG 89 Ca 0.02 0.46 -0.30 0.00 -0.13 0.00 0.00 55.73 55.78 1bcx s ARG 89 Cb -0.13 -3.69 -0.10 0.00 -1.56 0.00 0.00 34.95 29.47 1bcx s ARG 89 CO -0.06 -0.51 1.39 -1.25 -0.81 0.00 0.00 175.30 174.06 1bcx s PRO 90 N 2.61 4.31 0.18 5.12 0.04 -1.26 -5.02 135.00 140.98 1bcx s PRO 90 Ca 0.27 2.21 -0.01 0.00 0.04 0.00 0.00 61.00 63.51 1bcx s PRO 90 Cb -0.15 -3.14 -0.04 0.00 0.04 0.00 0.00 34.50 31.20 1bcx s PRO 90 CO 0.10 -0.36 0.10 0.95 0.04 0.00 0.00 177.00 177.83 1bcx s THR 91 N 0.08 0.07 0.00 1.26 -4.23 -1.26 -4.93 115.64 106.62 1bcx s THR 91 Ca 0.59 -1.97 0.00 0.00 -1.18 0.00 0.00 61.69 59.12 1bcx s THR 91 Cb -0.40 -2.36 0.00 0.00 1.34 0.00 0.00 72.50 71.08 1bcx s THR 91 CO 0.41 -0.15 0.00 0.61 -0.54 0.00 0.00 174.62 174.95 1bcx n GLY 92 N -0.22 3.38 3.64 3.99 0.00 -1.26 -4.99 105.19 109.73 1bcx n GLY 92 Ca -0.01 -0.28 -0.43 0.00 0.00 0.00 0.00 46.02 45.31 1bcx n GLY 92 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1bcx s THR 93 N -0.42 4.43 0.12 2.61 2.01 -0.35 -4.83 115.64 119.22 1bcx s THR 93 Ca 0.00 1.67 -0.31 0.00 0.31 0.00 0.00 61.69 63.36 1bcx s THR 93 Cb 0.00 -4.31 -0.09 0.00 0.01 0.00 0.00 72.50 68.12 1bcx s THR 93 CO 0.00 -0.40 1.50 -0.47 -0.69 0.00 0.00 174.62 174.55 1bcx s TYR 94 N 3.72 3.01 -0.07 4.92 5.04 -1.26 -2.12 117.35 130.59 1bcx s TYR 94 Ca 0.48 0.72 0.03 0.00 -2.44 0.00 0.00 57.07 55.87 1bcx s TYR 94 Cb -0.14 -3.82 -0.06 0.00 0.35 0.00 0.00 41.96 38.29 1bcx s TYR 94 CO 0.16 -3.00 -0.02 1.63 -1.34 0.00 0.00 175.55 172.97 1bcx n LYS 95 N 4.34 1.82 -3.83 4.97 4.76 0.24 -4.99 118.16 125.47 1bcx n LYS 95 Ca 0.13 0.02 0.00 0.00 -2.87 0.00 0.00 58.31 55.59 1bcx n LYS 95 Cb 0.41 -1.15 0.00 0.00 -1.84 0.00 0.00 35.03 32.44 1bcx n LYS 95 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1bcx n GLY 96 N 2.84 -0.50 3.20 0.72 0.00 -1.24 -4.99 105.19 105.22 1bcx n GLY 96 Ca -0.11 -1.07 -0.12 0.00 0.00 0.00 0.00 46.02 44.72 1bcx n GLY 96 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1bcx s THR 97 N -3.02 0.56 -0.06 2.61 -4.23 -1.26 -0.27 115.64 109.97 1bcx s THR 97 Ca 0.00 -1.95 -0.04 0.00 -1.18 0.00 0.00 61.69 58.53 1bcx s THR 97 Cb 0.00 -1.95 0.02 0.00 1.34 0.00 0.00 72.50 71.92 1bcx s THR 97 CO 0.00 -0.62 0.14 0.54 -0.54 0.00 0.00 174.62 174.14 1bcx s VAL 98 N -3.73 -0.02 -0.22 2.29 0.11 -0.43 -4.94 120.40 113.46 1bcx s VAL 98 Ca 0.19 0.09 -0.12 0.00 -2.93 0.00 0.00 61.98 59.21 1bcx s VAL 98 Cb 0.06 -0.21 -0.05 0.00 -1.53 0.00 0.00 36.38 34.65 1bcx s VAL 98 CO 0.00 0.04 0.21 -0.54 -3.33 0.00 0.00 175.10 171.47 1bcx s LYS 99 N 0.60 4.13 -0.21 1.54 3.01 -1.26 -0.76 119.74 126.78 1bcx s LYS 99 Ca -0.04 -0.15 -0.19 0.00 -1.01 0.00 0.00 55.97 54.58 1bcx s LYS 99 Cb -0.06 -3.51 0.06 0.00 -1.01 0.00 0.00 37.83 33.31 1bcx s LYS 99 CO -0.03 0.11 0.57 0.45 0.51 0.00 0.00 175.35 176.96 1bcx s SER 100 N 0.87 -0.60 -1.45 2.83 0.15 -0.42 -4.98 113.70 110.10 1bcx s SER 100 Ca 0.10 1.15 -0.06 0.00 0.70 0.00 0.00 55.95 57.84 1bcx s SER 100 Cb -0.13 1.16 0.04 0.00 -1.71 0.00 0.00 66.02 65.38 1bcx s SER 100 CO 0.04 -0.20 0.70 0.47 1.20 0.00 0.00 173.24 175.45 1bcx n ASP 101 N 2.87 -2.16 0.00 5.45 8.00 -1.26 -1.44 116.55 128.02 1bcx n ASP 101 Ca -0.14 -0.89 0.00 0.00 0.71 0.00 0.00 54.79 54.47 1bcx n ASP 101 Cb 0.56 -3.53 0.00 0.00 -0.02 0.00 0.00 41.12 38.13 1bcx n ASP 101 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1bcx n GLY 102 N -1.71 1.11 3.46 0.44 0.00 -1.26 -4.95 105.19 102.28 1bcx n GLY 102 Ca -0.16 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.63 1bcx n GLY 102 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1bcx s GLY 103 N -2.00 2.00 -0.11 -0.02 0.00 -0.52 -5.13 107.32 101.54 1bcx s GLY 103 Ca 0.00 -2.01 0.01 0.00 0.00 0.00 0.00 44.72 42.72 1bcx s GLY 103 CO 0.00 -1.87 -0.14 -1.59 0.00 0.00 0.00 173.10 169.50 1bcx s THR 104 N -3.04 3.00 0.00 0.90 2.01 -1.26 -1.30 115.64 115.95 1bcx s THR 104 Ca 0.32 -0.69 0.07 0.00 0.31 0.00 0.00 61.69 61.70 1bcx s THR 104 Cb 0.06 -2.24 -0.03 0.00 0.01 0.00 0.00 72.50 70.31 1bcx s THR 104 CO 0.14 0.54 -0.23 -0.31 -0.69 0.00 0.00 174.62 174.07 1bcx s TYR 105 N 0.11 2.43 0.19 4.92 1.51 0.06 -0.97 117.35 125.61 1bcx s TYR 105 Ca -0.07 -0.35 -0.13 0.00 -1.01 0.00 0.00 57.07 55.51 1bcx s TYR 105 Cb -0.15 -1.49 -0.07 0.00 -0.11 0.00 0.00 41.96 40.14 1bcx s TYR 105 CO 0.05 0.09 0.57 -0.51 -1.11 0.00 0.00 175.55 174.64 1bcx s ASP 106 N -0.93 6.76 -0.18 2.29 1.01 0.42 -1.31 116.67 124.73 1bcx s ASP 106 Ca 0.11 1.05 -0.06 0.00 0.71 0.00 0.00 52.55 54.37 1bcx s ASP 106 Cb -0.10 -2.28 -0.03 0.00 1.01 0.00 0.00 42.92 41.52 1bcx s ASP 106 CO 0.01 0.02 0.02 -0.63 0.21 0.00 0.00 175.17 174.80 1bcx s ILE 107 N -1.62 4.29 0.11 0.77 1.01 0.63 -0.65 121.20 125.74 1bcx s ILE 107 Ca 0.42 -0.21 0.02 0.00 0.00 0.00 0.00 60.65 60.89 1bcx s ILE 107 Cb -0.13 -2.92 -0.04 0.00 0.01 0.00 0.00 42.46 39.37 1bcx s ILE 107 CO 0.20 0.45 -0.07 -0.31 0.00 0.00 0.00 174.94 175.21 1bcx s TYR 108 N 0.60 0.98 0.02 3.97 2.02 -0.71 -0.59 117.35 123.64 1bcx s TYR 108 Ca 0.00 -0.88 0.04 0.00 -0.37 0.00 0.00 57.07 55.86 1bcx s TYR 108 Cb -0.14 -0.55 -0.02 0.00 -0.40 0.00 0.00 41.96 40.86 1bcx s TYR 108 CO 0.02 -0.10 -0.13 0.95 -1.57 0.00 0.00 175.55 174.73 1bcx s THR 109 N -3.56 0.99 0.25 -0.71 -4.23 -0.90 -1.13 115.64 106.36 1bcx s THR 109 Ca 0.13 -0.78 0.01 0.00 -1.18 0.00 0.00 61.69 59.87 1bcx s THR 109 Cb 0.05 -0.88 -0.03 0.00 1.34 0.00 0.00 72.50 72.98 1bcx s THR 109 CO -0.03 0.09 0.22 0.42 -0.54 0.00 0.00 174.62 174.78 1bcx s THR 110 N -0.62 0.00 0.02 3.99 -4.23 -0.95 -1.21 115.64 112.64 1bcx s THR 110 Ca 0.02 -1.94 0.02 0.00 -1.18 0.00 0.00 61.69 58.62 1bcx s THR 110 Cb -0.06 -2.49 -0.01 0.00 1.34 0.00 0.00 72.50 71.27 1bcx s THR 110 CO 0.00 0.00 -0.08 -0.89 -0.54 0.00 0.00 174.62 173.11 1bcx s THR 111 N -3.88 0.61 -0.09 3.99 2.01 -1.26 -0.96 115.64 116.06 1bcx s THR 111 Ca 0.38 -0.62 0.00 0.00 0.31 0.00 0.00 61.69 61.76 1bcx s THR 111 Cb 0.05 -0.57 -0.03 0.00 0.01 0.00 0.00 72.50 71.96 1bcx s THR 111 CO 0.17 -0.03 -0.08 -0.13 -0.69 0.00 0.00 174.62 173.86 1bcx s ARG 112 N -0.72 2.97 -0.12 4.92 1.81 0.12 -4.96 118.95 122.97 1bcx s ARG 112 Ca -0.01 -0.57 0.02 0.00 -1.72 0.00 0.00 55.73 53.45 1bcx s ARG 112 Cb -0.05 -2.63 -0.00 0.00 -0.45 0.00 0.00 34.95 31.81 1bcx s ARG 112 CO 0.00 0.53 -0.20 0.71 -0.68 0.00 0.00 175.30 175.67 1bcx s TYR 113 N -0.45 2.67 -1.25 -0.53 1.51 -1.26 -1.48 117.35 116.55 1bcx s TYR 113 Ca 0.06 -0.94 -0.15 0.00 -1.01 0.00 0.00 57.07 55.03 1bcx s TYR 113 Cb -0.12 -1.78 0.00 0.00 -0.11 0.00 0.00 41.96 39.96 1bcx s TYR 113 CO 0.02 -0.37 0.63 -1.71 -1.11 0.00 0.00 175.55 173.00 1bcx n ASN 114 N 3.61 -3.22 -4.36 2.29 5.15 -0.89 -4.94 115.26 112.89 1bcx n ASN 114 Ca -0.19 -1.06 -0.23 0.00 -0.60 0.00 0.00 54.58 52.50 1bcx n ASN 114 Cb 0.53 -2.98 -0.11 0.00 -0.53 0.00 0.00 39.78 36.68 1bcx n ASN 114 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1bcx s ALA 115 N -3.67 2.18 0.50 5.20 0.00 -0.09 -4.68 121.76 121.20 1bcx s ALA 115 Ca 0.30 -1.55 -0.23 0.00 0.00 0.00 0.00 51.96 50.48 1bcx s ALA 115 Cb -0.12 -0.22 -0.06 0.00 0.00 0.00 0.00 23.12 22.71 1bcx s ALA 115 CO 0.89 0.29 1.34 -2.14 0.00 0.00 0.00 175.76 176.13 1bcx s PRO 116 N -2.80 3.43 0.36 0.00 0.02 -1.26 -1.01 135.00 133.74 1bcx s PRO 116 Ca 0.18 2.19 0.07 0.00 0.02 0.00 0.00 61.00 63.46 1bcx s PRO 116 Cb -0.06 -2.41 -0.03 0.00 0.02 0.00 0.00 34.50 32.02 1bcx s PRO 116 CO 0.08 -0.95 0.25 -1.13 -0.33 0.00 0.00 177.00 174.92 1bcx n SER 117 N -0.66 -0.22 0.27 2.53 3.41 -1.24 -4.90 113.62 112.81 1bcx n SER 117 Ca 0.08 -3.23 0.12 0.00 -0.26 0.00 0.00 58.87 55.58 1bcx n SER 117 Cb 0.45 1.54 0.74 0.00 -0.26 0.00 0.00 64.21 66.68 1bcx n SER 117 CO 0.00 0.00 0.00 0.16 -0.16 0.00 0.00 175.04 175.04 1bcx h ILE 118 N 1.99 0.68 0.00 -1.33 3.07 -1.96 -1.49 117.51 118.46 1bcx h ILE 118 Ca -0.26 -0.36 0.00 0.00 1.55 0.00 0.00 64.86 65.79 1bcx h ILE 118 Cb 1.23 1.22 0.00 0.00 -0.27 0.00 0.00 36.82 39.00 1bcx h ILE 118 CO 0.39 0.09 0.00 0.47 -1.05 0.00 0.00 178.15 178.05 1bcx n ASP 119 N -3.87 0.00 0.00 2.16 8.00 -1.26 -5.02 116.55 116.56 1bcx n ASP 119 Ca -0.02 0.11 0.00 0.00 0.71 0.00 0.00 54.79 55.58 1bcx n ASP 119 Cb 0.18 -0.35 0.00 0.00 -0.02 0.00 0.00 41.12 40.94 1bcx n ASP 119 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1bcx n GLY 120 N 0.79 -0.64 7.00 0.44 0.00 -0.56 -5.05 105.19 107.16 1bcx n GLY 120 Ca 0.10 -1.73 0.00 0.00 0.00 0.00 0.00 46.02 44.39 1bcx n GLY 120 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1bcx n ASP 121 N -1.10 -2.31 -4.24 1.61 8.00 -1.26 -4.38 116.55 112.87 1bcx n ASP 121 Ca 0.00 0.00 -0.24 0.00 0.71 0.00 0.00 54.79 55.26 1bcx n ASP 121 Cb 0.00 0.00 -0.13 0.00 -0.02 0.00 0.00 41.12 40.97 1bcx n ASP 121 CO 0.00 0.00 0.00 -0.13 -0.39 0.00 0.00 177.20 176.68 1bcx s ARG 122 N 0.00 1.20 0.30 -1.24 1.81 -1.26 -3.72 118.95 116.04 1bcx s ARG 122 Ca 0.00 -0.99 -0.19 0.00 -1.72 0.00 0.00 55.73 52.83 1bcx s ARG 122 Cb 0.00 -1.35 0.06 0.00 -0.45 0.00 0.00 34.95 33.21 1bcx s ARG 122 CO 0.00 0.33 0.86 -0.08 -0.68 0.00 0.00 175.30 175.73 1bcx s THR 123 N -0.96 0.00 -0.19 0.02 -1.32 -0.18 -4.80 115.64 108.21 1bcx s THR 123 Ca 0.06 -0.87 -0.07 0.00 -1.21 0.00 0.00 61.69 59.61 1bcx s THR 123 Cb -0.09 -2.72 -0.03 0.00 -1.51 0.00 0.00 72.50 68.14 1bcx s THR 123 CO 0.03 0.00 0.04 -0.89 -2.21 0.00 0.00 174.62 171.59 1bcx s THR 124 N -2.52 4.48 0.07 5.08 2.01 -1.26 -0.91 115.64 122.58 1bcx s THR 124 Ca 0.16 -0.14 -0.06 0.00 0.31 0.00 0.00 61.69 61.97 1bcx s THR 124 Cb -0.04 -3.03 -0.02 0.00 0.01 0.00 0.00 72.50 69.43 1bcx s THR 124 CO 0.09 0.43 0.11 0.72 -0.69 0.00 0.00 174.62 175.28 1bcx s PHE 125 N 0.71 0.28 0.19 4.92 -0.71 -0.55 -4.99 117.98 117.83 1bcx s PHE 125 Ca 0.02 -0.72 -0.12 0.00 -1.04 0.00 0.00 56.93 55.07 1bcx s PHE 125 Cb -0.14 -0.18 -0.07 0.00 -1.21 0.00 0.00 43.02 41.43 1bcx s PHE 125 CO 0.02 -0.46 0.55 0.99 -1.34 0.00 0.00 175.22 174.97 1bcx s THR 126 N -3.69 4.90 -0.06 -4.49 2.01 -1.25 -0.70 115.64 112.36 1bcx s THR 126 Ca 0.04 0.63 0.06 0.00 0.31 0.00 0.00 61.69 62.73 1bcx s THR 126 Cb 0.05 -3.67 -0.01 0.00 0.01 0.00 0.00 72.50 68.88 1bcx s THR 126 CO -0.10 0.07 -0.24 -1.10 -0.69 0.00 0.00 174.62 172.56 1bcx s GLN 127 N -2.43 2.48 -0.09 4.92 -0.21 -0.13 -2.29 119.66 121.90 1bcx s GLN 127 Ca 0.43 -0.87 -0.01 0.00 0.02 0.00 0.00 55.36 54.92 1bcx s GLN 127 Cb -0.13 -2.10 -0.03 0.00 1.00 0.00 0.00 33.01 31.75 1bcx s GLN 127 CO 0.20 0.36 -0.03 0.71 -2.12 0.00 0.00 175.29 174.42 1bcx s TYR 128 N -0.14 3.06 0.01 0.91 2.02 -0.76 -2.24 117.35 120.23 1bcx s TYR 128 Ca -0.04 0.05 0.02 0.00 -0.37 0.00 0.00 57.07 56.73 1bcx s TYR 128 Cb -0.14 -1.80 -0.01 0.00 -0.40 0.00 0.00 41.96 39.62 1bcx s TYR 128 CO 0.04 0.33 -0.07 -1.58 -1.57 0.00 0.00 175.55 172.70 1bcx s TRP 129 N -0.62 0.59 -0.16 2.71 0.52 -0.28 -1.12 118.94 120.57 1bcx s TRP 129 Ca 0.10 -0.25 0.00 0.00 0.02 0.00 0.00 56.10 55.97 1bcx s TRP 129 Cb -0.12 -0.37 0.03 0.00 -1.15 0.00 0.00 33.47 31.87 1bcx s TRP 129 CO 0.02 -0.03 -0.10 -1.12 0.02 0.00 0.00 176.95 175.74 1bcx s SER 130 N -0.69 2.82 -0.16 2.95 0.01 -0.63 -1.73 113.70 116.27 1bcx s SER 130 Ca -0.02 -0.60 0.02 0.00 1.31 0.00 0.00 55.95 56.65 1bcx s SER 130 Cb -0.05 -1.06 0.01 0.00 0.21 0.00 0.00 66.02 65.13 1bcx s SER 130 CO 0.00 -0.12 -0.21 -0.69 0.41 0.00 0.00 173.24 172.62 1bcx s VAL 131 N 1.54 2.07 0.42 3.43 1.01 0.17 -0.46 120.40 128.58 1bcx s VAL 131 Ca 0.02 -0.96 -0.26 0.00 0.00 0.00 0.00 61.98 60.78 1bcx s VAL 131 Cb -0.14 -1.84 -0.10 0.00 0.00 0.00 0.00 36.38 34.30 1bcx s VAL 131 CO -0.09 0.55 1.35 -1.14 0.00 0.00 0.00 175.10 175.76 1bcx n ARG 132 N 4.28 2.13 0.15 2.72 0.63 -0.37 -0.44 116.66 125.76 1bcx n ARG 132 Ca -0.20 0.75 0.00 0.00 -0.92 0.00 0.00 57.85 57.49 1bcx n ARG 132 Cb 0.51 -2.49 0.29 0.00 0.45 0.00 0.00 32.46 31.22 1bcx n ARG 132 CO 0.00 0.00 0.00 1.96 -2.51 0.00 0.00 177.63 177.08 1bcx h GLN 133 N 2.28 0.07 -5.09 -0.14 4.20 -1.41 -3.44 115.11 111.59 1bcx h GLN 133 Ca -0.49 -0.03 -0.37 0.00 0.06 0.00 0.00 58.65 57.82 1bcx h GLN 133 Cb 1.28 -0.00 -0.22 0.00 0.30 0.00 0.00 27.48 28.84 1bcx h GLN 133 CO 0.61 0.49 -0.77 -1.12 -0.67 0.00 0.00 178.83 177.37 1bcx s SER 134 N -6.90 1.40 0.27 1.46 0.01 -1.26 -5.11 113.70 103.58 1bcx s SER 134 Ca -0.03 -0.58 -0.30 0.00 1.31 0.00 0.00 55.95 56.35 1bcx s SER 134 Cb 0.14 -0.03 -0.11 0.00 0.21 0.00 0.00 66.02 66.23 1bcx s SER 134 CO 0.75 -0.11 1.51 -0.54 0.41 0.00 0.00 173.24 175.26 1bcx s LYS 135 N -1.63 4.20 0.09 12.44 1.02 -1.26 -4.94 119.74 129.66 1bcx s LYS 135 Ca -0.04 2.44 -0.30 0.00 0.02 0.00 0.00 55.97 58.08 1bcx s LYS 135 Cb -0.10 -3.07 -0.06 0.00 -0.52 0.00 0.00 37.83 34.09 1bcx s LYS 135 CO 0.02 -0.52 1.03 0.50 -0.92 0.00 0.00 175.35 175.45 1bcx s ARG 136 N -0.48 4.61 0.54 1.68 3.52 -0.20 -5.00 118.95 123.61 1bcx s ARG 136 Ca 0.61 1.55 -0.22 0.00 -0.13 0.00 0.00 55.73 57.53 1bcx s ARG 136 Cb -0.45 -3.37 -0.05 0.00 -1.56 0.00 0.00 34.95 29.52 1bcx s ARG 136 CO 0.46 0.06 1.36 -2.14 -0.81 0.00 0.00 175.30 174.23 1bcx s PRO 137 N 0.29 3.20 0.39 5.12 0.02 -1.26 -4.79 135.00 137.96 1bcx s PRO 137 Ca 0.50 2.25 0.08 0.00 0.02 0.00 0.00 61.00 63.84 1bcx s PRO 137 Cb -0.25 -2.30 -0.03 0.00 0.02 0.00 0.00 34.50 31.94 1bcx s PRO 137 CO 0.30 -1.14 0.28 0.95 -0.33 0.00 0.00 177.00 177.05 1bcx s THR 138 N -1.30 2.77 0.00 0.99 -4.23 -1.26 -4.67 115.64 107.94 1bcx s THR 138 Ca 0.70 -1.50 0.00 0.00 -1.18 0.00 0.00 61.69 59.72 1bcx s THR 138 Cb -0.41 -3.02 0.00 0.00 1.34 0.00 0.00 72.50 70.41 1bcx s THR 138 CO 0.48 -0.06 0.00 0.61 -0.54 0.00 0.00 174.62 175.11 1bcx n GLY 139 N -1.38 0.12 3.67 3.99 0.00 -0.38 -5.00 105.19 106.21 1bcx n GLY 139 Ca 0.00 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.78 1bcx n GLY 139 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1bcx s SER 140 N -2.01 4.37 -0.33 1.61 0.01 -1.26 -4.89 113.70 111.19 1bcx s SER 140 Ca 0.00 -0.91 -0.29 0.00 1.31 0.00 0.00 55.95 56.06 1bcx s SER 140 Cb 0.00 -0.61 -0.00 0.00 0.21 0.00 0.00 66.02 65.62 1bcx s SER 140 CO 0.00 -0.26 1.43 0.20 0.41 0.00 0.00 173.24 175.02 1bcx s ASN 141 N -3.76 6.44 0.17 2.44 0.01 -1.26 -4.33 114.94 114.64 1bcx s ASN 141 Ca 0.36 1.13 0.07 0.00 -0.71 0.00 0.00 52.86 53.70 1bcx s ASN 141 Cb -0.01 -2.54 -0.04 0.00 0.41 0.00 0.00 41.25 39.07 1bcx s ASN 141 CO 0.21 -1.29 0.02 0.00 -1.51 0.00 0.00 177.10 174.53 1bcx s ALA 142 N 5.10 3.27 0.01 0.60 0.00 0.62 -4.97 121.76 126.39 1bcx s ALA 142 Ca 0.62 -1.34 0.05 0.00 0.00 0.00 0.00 51.96 51.29 1bcx s ALA 142 Cb -0.17 -1.06 -0.02 0.00 0.00 0.00 0.00 23.12 21.88 1bcx s ALA 142 CO 0.29 0.49 -0.15 0.99 0.00 0.00 0.00 175.76 177.37 1bcx s THR 143 N -1.73 1.21 -0.26 0.00 2.01 -1.26 -1.21 115.64 114.39 1bcx s THR 143 Ca 0.28 -0.81 0.01 0.00 0.31 0.00 0.00 61.69 61.49 1bcx s THR 143 Cb -0.09 -1.04 0.07 0.00 0.01 0.00 0.00 72.50 71.45 1bcx s THR 143 CO 0.19 0.22 -0.02 -0.63 -0.69 0.00 0.00 174.62 173.69 1bcx s ILE 144 N -0.55 1.61 -0.96 1.82 1.01 0.18 -4.82 121.20 119.49 1bcx s ILE 144 Ca 0.05 -1.44 -0.20 0.00 0.00 0.00 0.00 60.65 59.07 1bcx s ILE 144 Cb -0.07 -1.95 0.11 0.00 0.01 0.00 0.00 42.46 40.57 1bcx s ILE 144 CO 0.00 -0.23 1.22 -0.89 0.00 0.00 0.00 174.94 175.03 1bcx s THR 145 N 1.33 4.55 0.48 2.92 2.01 -1.26 -1.42 115.64 124.24 1bcx s THR 145 Ca -0.02 -1.42 0.19 0.00 0.31 0.00 0.00 61.69 60.75 1bcx s THR 145 Cb -0.19 -4.85 0.36 0.00 0.01 0.00 0.00 72.50 67.83 1bcx s THR 145 CO -0.08 -1.61 1.98 0.15 -0.69 0.00 0.00 174.62 174.36 1bcx h PHE 146 N 9.00 0.25 -0.94 4.92 3.57 -1.85 -2.43 116.94 129.45 1bcx h PHE 146 Ca 0.17 0.01 0.09 0.00 3.53 0.00 0.00 57.97 61.77 1bcx h PHE 146 Cb 1.02 -0.08 -0.07 0.00 2.79 0.00 0.00 35.95 39.61 1bcx h PHE 146 CO 1.19 0.10 0.61 1.79 -2.23 0.00 0.00 178.31 179.77 1bcx h THR 147 N 0.22 1.00 -0.91 4.41 1.35 -1.74 -0.20 112.91 117.04 1bcx h THR 147 Ca 0.28 -0.34 0.01 0.00 -0.55 0.00 0.00 66.41 65.81 1bcx h THR 147 Cb 0.81 -0.09 -0.05 0.00 -1.73 0.00 0.00 68.15 67.10 1bcx h THR 147 CO -0.05 0.18 0.60 0.78 -0.25 0.00 0.00 175.52 176.78 1bcx h ASN 148 N 1.00 1.05 -0.14 5.36 -0.26 -1.76 -0.38 115.58 120.46 1bcx h ASN 148 Ca 0.43 -0.03 -0.13 0.00 -0.56 0.00 0.00 56.30 56.01 1bcx h ASN 148 Cb 0.33 -0.26 0.00 0.00 -1.06 0.00 0.00 38.32 37.33 1bcx h ASN 148 CO -0.19 0.76 -0.43 0.45 -1.06 0.00 0.00 177.43 176.96 1bcx h HIS 149 N 1.24 0.70 -0.57 1.19 3.86 -1.20 -2.42 115.15 117.95 1bcx h HIS 149 Ca 0.33 -0.28 0.02 0.00 -1.16 0.00 0.00 60.37 59.28 1bcx h HIS 149 Cb -0.14 -0.12 -0.04 0.00 1.06 0.00 0.00 27.41 28.18 1bcx h HIS 149 CO 0.00 1.04 0.35 0.28 0.86 0.00 0.00 177.93 180.46 1bcx h VAL 150 N 0.16 1.08 -0.53 2.45 2.07 -0.97 0.08 116.25 120.58 1bcx h VAL 150 Ca -0.02 -0.24 -0.11 0.00 0.82 0.00 0.00 66.70 67.16 1bcx h VAL 150 Cb 1.06 0.32 -0.02 0.00 -1.52 0.00 0.00 31.29 31.13 1bcx h VAL 150 CO 0.09 0.13 -0.08 0.78 0.02 0.00 0.00 177.57 178.51 1bcx h ASN 151 N 0.69 0.99 -0.54 0.57 2.35 -1.11 -1.41 115.58 117.13 1bcx h ASN 151 Ca 0.22 -0.34 -0.06 0.00 -0.55 0.00 0.00 56.30 55.57 1bcx h ASN 151 Cb 0.00 -0.27 -0.02 0.00 0.05 0.00 0.00 38.32 38.08 1bcx h ASN 151 CO -0.09 1.10 0.10 0.00 -1.65 0.00 0.00 177.43 176.89 1bcx h ALA 152 N 0.93 0.72 -0.63 -0.83 0.00 -1.07 -1.83 119.26 116.55 1bcx h ALA 152 Ca 0.14 -0.24 -0.01 0.00 0.00 0.00 0.00 54.91 54.81 1bcx h ALA 152 Cb 0.64 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 18.19 1bcx h ALA 152 CO 0.04 0.45 0.36 -1.49 0.00 0.00 0.00 179.25 178.62 1bcx h TRP 153 N 0.78 0.84 -0.70 0.00 6.55 -0.84 -2.71 115.95 119.88 1bcx h TRP 153 Ca 0.17 -0.01 0.02 0.00 0.95 0.00 0.00 58.89 60.02 1bcx h TRP 153 Cb 0.39 -0.27 -0.04 0.00 -0.86 0.00 0.00 29.16 28.38 1bcx h TRP 153 CO 0.03 0.58 0.45 -0.22 -1.05 0.00 0.00 178.44 178.24 1bcx h LYS 154 N 0.85 0.88 0.00 0.49 3.64 -1.00 0.18 116.57 121.61 1bcx h LYS 154 Ca 0.22 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.55 1bcx h LYS 154 Cb 0.00 -0.20 0.00 0.00 -0.41 0.00 0.00 32.23 31.63 1bcx h LYS 154 CO -0.04 0.58 0.00 0.66 -2.27 0.00 0.00 179.45 178.38 1bcx h SER 155 N 0.91 0.00 -0.45 4.20 4.64 -1.03 -1.14 113.55 120.67 1bcx h SER 155 Ca 0.27 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.59 1bcx h SER 155 Cb -0.04 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.05 1bcx h SER 155 CO -0.08 0.00 0.00 1.41 -0.87 0.00 0.00 176.83 177.29 1bcx n HIS 156 N -2.62 1.29 -1.13 4.77 8.25 -0.35 -4.95 115.22 120.47 1bcx n HIS 156 Ca -0.01 -0.72 -0.05 0.00 -0.26 0.00 0.00 57.72 56.69 1bcx n HIS 156 Cb 0.14 -0.30 -0.02 0.00 1.12 0.00 0.00 29.99 30.93 1bcx n HIS 156 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1bcx n GLY 157 N 0.34 0.74 3.21 -1.41 0.00 -0.43 -4.98 105.19 102.66 1bcx n GLY 157 Ca 0.23 -0.82 -0.41 0.00 0.00 0.00 0.00 46.02 45.02 1bcx n GLY 157 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1bcx s MET 158 N -2.33 3.44 -0.05 1.61 -1.94 0.49 -4.99 119.30 115.53 1bcx s MET 158 Ca 0.00 -2.93 -0.16 0.00 -1.71 0.00 0.00 55.69 50.88 1bcx s MET 158 Cb 0.00 -4.17 -0.05 0.00 2.01 0.00 0.00 34.83 32.62 1bcx s MET 158 CO 0.00 -1.25 0.44 -0.80 -0.01 0.00 0.00 175.02 173.40 1bcx s ASN 159 N 0.90 6.76 0.65 3.03 -0.87 -1.26 -3.31 114.94 120.84 1bcx s ASN 159 Ca 0.24 0.90 -0.09 0.00 -1.57 0.00 0.00 52.86 52.34 1bcx s ASN 159 Cb -0.11 -2.27 0.01 0.00 -0.02 0.00 0.00 41.25 38.86 1bcx s ASN 159 CO -0.09 0.19 1.01 -0.76 -2.57 0.00 0.00 177.10 174.88 1bcx s LEU 160 N -0.34 3.06 0.93 0.60 1.43 -1.26 -4.96 118.68 118.14 1bcx s LEU 160 Ca 0.24 0.96 -0.12 0.00 -1.03 0.00 0.00 54.13 54.19 1bcx s LEU 160 Cb -0.16 -3.78 0.15 0.00 0.03 0.00 0.00 46.19 42.42 1bcx s LEU 160 CO 0.12 -1.20 1.12 -0.83 0.23 0.00 0.00 176.35 175.79 1bcx s GLY 161 N -4.33 1.57 0.27 -3.19 0.00 -1.26 -4.78 107.32 95.61 1bcx s GLY 161 Ca 0.56 -0.47 0.23 0.00 0.00 0.00 0.00 44.72 45.04 1bcx s GLY 161 CO 0.49 0.10 1.33 1.48 0.00 0.00 0.00 173.10 176.50 1bcx h SER 162 N -1.58 0.00 -3.65 1.64 4.64 -1.05 -3.44 113.55 110.12 1bcx h SER 162 Ca -0.51 -0.03 -0.69 0.00 -0.47 0.00 0.00 61.79 60.09 1bcx h SER 162 Cb 1.33 0.00 -0.28 0.00 -0.31 0.00 0.00 62.40 63.14 1bcx h SER 162 CO 0.61 0.02 -0.62 0.21 -0.87 0.00 0.00 176.83 176.17 1bcx s ASN 163 N -5.42 5.19 -0.13 4.97 2.47 -0.86 -5.00 114.94 116.16 1bcx s ASN 163 Ca 0.04 -1.00 -0.23 0.00 0.42 0.00 0.00 52.86 52.09 1bcx s ASN 163 Cb 0.09 -1.86 -0.03 0.00 -1.45 0.00 0.00 41.25 38.00 1bcx s ASN 163 CO 0.73 -0.27 0.70 0.26 -3.72 0.00 0.00 177.10 174.79 1bcx s TRP 164 N 1.42 3.47 0.00 0.43 0.52 -1.26 -0.04 118.94 123.49 1bcx s TRP 164 Ca -0.00 1.13 0.00 0.00 0.02 0.00 0.00 56.10 57.24 1bcx s TRP 164 Cb -0.19 -2.84 0.00 0.00 -1.15 0.00 0.00 33.47 29.30 1bcx s TRP 164 CO 0.02 -0.07 0.00 0.00 0.02 0.00 0.00 176.95 176.93 1bcx n ALA 165 N 4.51 0.00 -1.05 0.98 0.00 -0.58 -4.36 120.51 120.01 1bcx n ALA 165 Ca -0.00 0.00 -0.31 0.00 0.00 0.00 0.00 53.44 53.13 1bcx n ALA 165 Cb 0.50 0.00 0.13 0.00 0.00 0.00 0.00 19.45 20.09 1bcx n ALA 165 CO 0.00 0.00 0.00 1.52 0.00 0.00 0.00 177.50 179.02 1bcx s TYR 166 N 2.11 2.18 -0.16 0.00 -0.85 -1.09 -0.15 117.35 119.38 1bcx s TYR 166 Ca 0.00 1.52 -0.04 0.00 -0.52 0.00 0.00 57.07 58.03 1bcx s TYR 166 Cb 0.00 -3.16 0.08 0.00 0.38 0.00 0.00 41.96 39.26 1bcx s TYR 166 CO 0.00 -2.35 0.26 -1.14 -1.52 0.00 0.00 175.55 170.80 1bcx s GLN 167 N -4.81 0.18 0.09 -3.49 0.74 -0.45 -2.62 119.66 109.29 1bcx s GLN 167 Ca 0.64 0.55 0.01 0.00 0.05 0.00 0.00 55.36 56.61 1bcx s GLN 167 Cb -0.19 -0.46 -0.04 0.00 1.10 0.00 0.00 33.01 33.42 1bcx s GLN 167 CO 0.57 -0.44 -0.06 0.14 -0.55 0.00 0.00 175.29 174.96 1bcx s VAL 168 N 2.40 0.61 -0.44 1.34 -7.23 0.58 -0.69 120.40 116.96 1bcx s VAL 168 Ca 0.04 -1.91 -0.18 0.00 -1.81 0.00 0.00 61.98 58.12 1bcx s VAL 168 Cb -0.14 -1.66 0.03 0.00 0.56 0.00 0.00 36.38 35.18 1bcx s VAL 168 CO -0.10 -0.89 0.47 -0.32 -0.31 0.00 0.00 175.10 173.95 1bcx s MET 169 N -3.85 3.09 0.38 4.82 1.75 -0.43 0.28 119.30 125.34 1bcx s MET 169 Ca 0.11 -0.83 0.08 0.00 -1.25 0.00 0.00 55.69 53.80 1bcx s MET 169 Cb 0.06 -4.01 -0.06 0.00 2.84 0.00 0.00 34.83 33.66 1bcx s MET 169 CO -0.06 -0.94 0.07 0.00 -0.65 0.00 0.00 175.02 173.44 1bcx s ALA 170 N 2.20 3.33 -0.21 4.11 0.00 0.54 -3.22 121.76 128.50 1bcx s ALA 170 Ca 0.12 -2.08 0.00 0.00 0.00 0.00 0.00 51.96 50.01 1bcx s ALA 170 Cb -0.18 -0.27 0.03 0.00 0.00 0.00 0.00 23.12 22.69 1bcx s ALA 170 CO 0.13 -0.05 -0.15 0.99 0.00 0.00 0.00 175.76 176.68 1bcx s THR 171 N -2.58 2.33 0.03 0.00 2.01 0.06 -1.35 115.64 116.13 1bcx s THR 171 Ca 0.37 -1.03 0.07 0.00 0.31 0.00 0.00 61.69 61.41 1bcx s THR 171 Cb 0.03 -2.09 -0.03 0.00 0.01 0.00 0.00 72.50 70.42 1bcx s THR 171 CO 0.20 0.38 -0.19 0.00 -0.69 0.00 0.00 174.62 174.32 1bcx s GLY 173 N -1.35 0.13 -0.12 0.00 0.00 -0.82 -0.38 107.32 104.78 1bcx s GLY 173 Ca 0.14 -0.56 -0.04 0.00 0.00 0.00 0.00 44.72 44.26 1bcx s GLY 173 CO 0.04 -0.73 0.16 -0.47 0.00 0.00 0.00 173.10 172.11 1bcx s TYR 174 N -3.17 -0.12 -1.27 1.90 5.04 -1.04 -2.30 117.35 116.38 1bcx s TYR 174 Ca -0.00 0.34 -0.21 0.00 -2.44 0.00 0.00 57.07 54.75 1bcx s TYR 174 Cb 0.02 -0.37 0.02 0.00 0.35 0.00 0.00 41.96 41.98 1bcx s TYR 174 CO -0.07 -0.38 0.57 1.04 -1.34 0.00 0.00 175.55 175.36 1bcx n GLN 175 N 5.31 -1.00 -2.19 4.97 6.02 -0.61 -4.44 117.38 125.45 1bcx n GLN 175 Ca -0.05 0.21 -0.04 0.00 -0.01 0.00 0.00 57.00 57.12 1bcx n GLN 175 Cb 0.50 -3.35 -0.01 0.00 1.02 0.00 0.00 30.24 28.39 1bcx n GLN 175 CO 0.00 0.00 0.00 -1.13 -1.01 0.00 0.00 177.06 174.92 1bcx n SER 176 N -2.51 -0.28 -4.14 1.08 3.41 -1.26 -4.74 113.62 105.18 1bcx n SER 176 Ca -0.17 -1.44 -0.09 0.00 -0.26 0.00 0.00 58.87 56.91 1bcx n SER 176 Cb 0.61 0.54 -0.10 0.00 -0.26 0.00 0.00 64.21 65.00 1bcx n SER 176 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 1bcx s SER 177 N -1.50 0.80 0.00 4.04 0.01 -1.18 -1.91 113.70 113.96 1bcx s SER 177 Ca 0.07 -1.03 0.00 0.00 1.31 0.00 0.00 55.95 56.30 1bcx s SER 177 Cb -0.00 0.16 0.00 0.00 0.21 0.00 0.00 66.02 66.39 1bcx s SER 177 CO 0.05 -0.55 0.00 0.61 0.41 0.00 0.00 173.24 173.76 1bcx n GLY 178 N 0.01 -1.82 3.13 3.44 0.00 -0.34 -0.20 105.19 109.41 1bcx n GLY 178 Ca -0.12 -1.25 -0.11 0.00 0.00 0.00 0.00 46.02 44.54 1bcx n GLY 178 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1bcx s SER 179 N -2.85 0.02 0.02 1.61 0.01 -0.77 -1.33 113.70 110.42 1bcx s SER 179 Ca 0.00 -0.24 -0.21 0.00 1.31 0.00 0.00 55.95 56.81 1bcx s SER 179 Cb 0.00 0.23 0.04 0.00 0.21 0.00 0.00 66.02 66.50 1bcx s SER 179 CO 0.00 -0.42 0.46 -0.94 0.41 0.00 0.00 173.24 172.75 1bcx s SER 180 N -1.57 -0.37 -0.16 2.44 1.04 -0.72 -0.68 113.70 113.68 1bcx s SER 180 Ca -0.12 0.16 -0.05 0.00 0.48 0.00 0.00 55.95 56.42 1bcx s SER 180 Cb -0.06 0.44 0.08 0.00 0.10 0.00 0.00 66.02 66.58 1bcx s SER 180 CO 0.00 -0.64 0.29 0.21 0.98 0.00 0.00 173.24 174.08 1bcx s ASN 181 N -1.78 0.40 0.01 7.02 2.47 0.18 -1.28 114.94 121.96 1bcx s ASN 181 Ca -0.07 0.51 0.02 0.00 0.42 0.00 0.00 52.86 53.74 1bcx s ASN 181 Cb -0.01 0.78 -0.01 0.00 -1.45 0.00 0.00 41.25 40.55 1bcx s ASN 181 CO 0.01 -0.26 -0.07 -0.69 -3.72 0.00 0.00 177.10 172.37 1bcx s VAL 182 N 2.44 0.56 -0.10 -5.21 1.01 -0.40 -0.94 120.40 117.76 1bcx s VAL 182 Ca 0.03 -0.59 0.04 0.00 0.00 0.00 0.00 61.98 61.45 1bcx s VAL 182 Cb -0.13 -0.53 -0.00 0.00 0.00 0.00 0.00 36.38 35.72 1bcx s VAL 182 CO -0.10 -0.04 -0.22 -0.89 0.00 0.00 0.00 175.10 173.84 1bcx s THR 183 N -0.60 2.20 -0.02 3.92 2.01 -0.36 -1.22 115.64 121.58 1bcx s THR 183 Ca -0.02 -0.97 0.08 0.00 0.31 0.00 0.00 61.69 61.09 1bcx s THR 183 Cb -0.05 -1.85 -0.02 0.00 0.01 0.00 0.00 72.50 70.59 1bcx s THR 183 CO 0.00 0.56 -0.26 -0.69 -0.69 0.00 0.00 174.62 173.54 1bcx s VAL 184 N 0.32 2.02 0.00 3.82 1.01 0.47 -1.00 120.40 127.04 1bcx s VAL 184 Ca -0.17 -1.11 0.00 0.00 0.00 0.00 0.00 61.98 60.70 1bcx s VAL 184 Cb -0.18 -1.68 0.00 0.00 0.00 0.00 0.00 36.38 34.53 1bcx s VAL 184 CO 0.08 0.56 0.00 -2.67 0.00 0.00 0.00 175.10 173.07