#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dcy s SER 2 N 0.00 6.61 0.22 0.00 0.01 -1.26 -4.47 113.70 114.80 2dcy s SER 2 Ca 0.00 2.04 -0.05 0.00 1.31 0.00 0.00 55.95 59.25 2dcy s SER 2 Cb 0.00 -2.58 -0.06 0.00 0.21 0.00 0.00 66.02 63.59 2dcy s SER 2 CO 0.00 -0.60 0.47 0.42 0.41 0.00 0.00 173.24 173.95 2dcy s THR 3 N -1.72 5.07 0.00 1.44 -4.23 -1.26 -4.97 115.64 109.97 2dcy s THR 3 Ca 0.60 0.08 0.00 0.00 -1.18 0.00 0.00 61.69 61.20 2dcy s THR 3 Cb -0.21 -3.67 0.00 0.00 1.34 0.00 0.00 72.50 69.96 2dcy s THR 3 CO 0.26 -0.13 0.42 -0.90 -0.54 0.00 0.00 174.62 173.74 2dcy n ASP 4 N -0.39 0.49 -4.07 3.99 5.68 -0.21 -5.01 116.55 117.03 2dcy n ASP 4 Ca -0.02 -1.17 -0.22 0.00 -0.50 0.00 0.00 54.79 52.89 2dcy n ASP 4 Cb 0.53 0.00 -0.15 0.00 -1.14 0.00 0.00 41.12 40.36 2dcy n ASP 4 CO 0.00 0.00 0.00 -0.47 -1.33 0.00 0.00 177.20 175.40 2dcy s TYR 5 N -0.17 1.17 -0.18 2.11 5.04 -0.35 -4.67 117.35 120.30 2dcy s TYR 5 Ca 0.00 -0.26 0.01 0.00 -2.44 0.00 0.00 57.07 54.38 2dcy s TYR 5 Cb 0.00 -0.78 0.02 0.00 0.35 0.00 0.00 41.96 41.55 2dcy s TYR 5 CO 0.00 -0.06 -0.19 -0.46 -1.34 0.00 0.00 175.55 173.49 2dcy s TRP 6 N -0.12 2.80 -0.22 4.97 -0.00 -1.26 -1.71 118.94 123.41 2dcy s TRP 6 Ca 0.02 -1.68 -0.09 0.00 -0.00 0.00 0.00 56.10 54.34 2dcy s TRP 6 Cb -0.07 -1.92 -0.05 0.00 -0.00 0.00 0.00 33.47 31.44 2dcy s TRP 6 CO 0.00 -0.81 0.12 -1.14 -0.00 0.00 0.00 176.95 175.12 2dcy s GLN 7 N 1.28 4.03 -0.34 5.86 2.00 0.44 -4.98 119.66 127.95 2dcy s GLN 7 Ca 0.04 -0.30 0.05 0.00 -2.00 0.00 0.00 55.36 53.15 2dcy s GLN 7 Cb -0.13 -3.40 0.17 0.00 0.80 0.00 0.00 33.01 30.45 2dcy s GLN 7 CO -0.13 0.15 0.50 1.21 -0.50 0.00 0.00 175.29 176.53 2dcy s ASN 8 N 0.76 -0.42 0.00 6.67 3.04 -1.25 -0.96 114.94 122.78 2dcy s ASN 8 Ca 0.06 -0.62 0.03 0.00 0.04 0.00 0.00 52.86 52.37 2dcy s ASN 8 Cb -0.13 1.43 -0.01 0.00 -1.54 0.00 0.00 41.25 41.00 2dcy s ASN 8 CO 0.02 -0.27 -0.10 0.86 -3.04 0.00 0.00 177.10 174.57 2dcy s TRP 9 N 2.18 0.86 0.02 0.43 -0.00 -0.40 -5.02 118.94 117.01 2dcy s TRP 9 Ca 0.13 -0.20 -0.02 0.00 -0.00 0.00 0.00 56.10 56.00 2dcy s TRP 9 Cb -0.10 -0.54 -0.02 0.00 -0.00 0.00 0.00 33.47 32.81 2dcy s TRP 9 CO -0.17 -0.01 0.02 -0.08 -0.00 0.00 0.00 176.95 176.70 2dcy s THR 10 N -0.38 0.12 -2.05 5.86 -1.32 -1.26 -0.87 115.64 115.74 2dcy s THR 10 Ca 0.02 -0.97 0.17 0.00 -1.21 0.00 0.00 61.69 59.71 2dcy s THR 10 Cb -0.05 -0.48 0.47 0.00 -1.51 0.00 0.00 72.50 70.94 2dcy s THR 10 CO -0.00 -0.53 1.62 -0.90 -2.21 0.00 0.00 174.62 172.59 2dcy n ASP 11 N 1.34 0.33 0.00 8.08 5.68 -0.63 -4.88 116.55 126.47 2dcy n ASP 11 Ca -0.22 -1.53 0.00 0.00 -0.50 0.00 0.00 54.79 52.54 2dcy n ASP 11 Cb 0.56 -0.02 0.00 0.00 -1.14 0.00 0.00 41.12 40.52 2dcy n ASP 11 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2dcy n GLY 12 N 0.83 0.31 3.82 6.12 0.00 -1.26 -4.99 105.19 110.02 2dcy n GLY 12 Ca 0.13 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.81 2dcy n GLY 12 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2dcy s GLY 13 N -2.06 2.47 0.00 -0.02 0.00 -1.26 -4.93 107.32 101.52 2dcy s GLY 13 Ca 0.00 0.23 0.00 0.00 0.00 0.00 0.00 44.72 44.95 2dcy s GLY 13 CO 0.00 0.52 0.00 0.61 0.00 0.00 0.00 173.10 174.23 2dcy n GLY 14 N -0.08 0.94 2.94 0.20 0.00 -1.11 -3.24 105.19 104.86 2dcy n GLY 14 Ca 0.03 -0.75 -0.27 0.00 0.00 0.00 0.00 46.02 45.03 2dcy n GLY 14 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2dcy s ILE 15 N 0.00 1.13 -0.27 -0.61 -1.09 -0.45 -4.96 121.20 114.96 2dcy s ILE 15 Ca 0.00 -0.37 -0.02 0.00 -2.23 0.00 0.00 60.65 58.02 2dcy s ILE 15 Cb 0.00 -1.11 0.03 0.00 -1.58 0.00 0.00 42.46 39.80 2dcy s ILE 15 CO 0.00 0.38 -0.02 -0.69 -1.23 0.00 0.00 174.94 173.38 2dcy s VAL 16 N 1.49 3.07 -0.80 2.92 1.01 -1.26 -0.94 120.40 125.90 2dcy s VAL 16 Ca 0.02 -1.06 -0.10 0.00 0.00 0.00 0.00 61.98 60.83 2dcy s VAL 16 Cb -0.13 -2.61 0.21 0.00 0.00 0.00 0.00 36.38 33.84 2dcy s VAL 16 CO -0.06 0.10 0.70 0.21 0.00 0.00 0.00 175.10 176.05 2dcy s ASN 17 N 1.33 6.34 -0.26 3.32 3.04 0.71 -5.00 114.94 124.42 2dcy s ASN 17 Ca -0.01 -2.85 -0.10 0.00 0.04 0.00 0.00 52.86 49.94 2dcy s ASN 17 Cb -0.17 -2.10 -0.05 0.00 -1.54 0.00 0.00 41.25 37.39 2dcy s ASN 17 CO -0.03 -0.48 0.16 0.00 -3.04 0.00 0.00 177.10 173.71 2dcy s ALA 18 N -0.07 3.49 -0.18 1.71 0.00 -1.26 -1.52 121.76 123.92 2dcy s ALA 18 Ca 0.19 -1.03 -0.01 0.00 0.00 0.00 0.00 51.96 51.11 2dcy s ALA 18 Cb -0.13 -2.35 -0.00 0.00 0.00 0.00 0.00 23.12 20.64 2dcy s ALA 18 CO -0.07 -0.41 -0.12 0.08 0.00 0.00 0.00 175.76 175.23 2dcy s VAL 19 N 1.48 2.82 -0.68 0.00 1.01 0.36 -5.00 120.40 120.39 2dcy s VAL 19 Ca 0.07 -0.70 -0.25 0.00 0.00 0.00 0.00 61.98 61.10 2dcy s VAL 19 Cb -0.15 -2.23 0.05 0.00 0.00 0.00 0.00 36.38 34.05 2dcy s VAL 19 CO 0.08 0.49 1.10 0.21 0.00 0.00 0.00 175.10 176.98 2dcy s ASN 20 N 1.13 6.20 0.36 3.32 3.84 -1.26 -2.01 114.94 126.53 2dcy s ASN 20 Ca 0.01 -0.66 0.00 0.00 0.21 0.00 0.00 52.86 52.42 2dcy s ASN 20 Cb -0.14 -2.48 0.00 0.00 -0.55 0.00 0.00 41.25 38.07 2dcy s ASN 20 CO -0.04 -1.58 0.00 0.61 -2.79 0.00 0.00 177.10 173.30 2dcy n GLY 21 N 5.32 0.11 3.78 1.21 0.00 -0.30 -5.02 105.19 110.29 2dcy n GLY 21 Ca 0.00 -1.82 -0.36 0.00 0.00 0.00 0.00 46.02 43.84 2dcy n GLY 21 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2dcy s SER 22 N -1.00 6.51 1.77 1.61 1.04 -1.26 -4.62 113.70 117.75 2dcy s SER 22 Ca 0.00 2.08 0.00 0.00 0.48 0.00 0.00 55.95 58.51 2dcy s SER 22 Cb 0.00 -2.58 0.00 0.00 0.10 0.00 0.00 66.02 63.54 2dcy s SER 22 CO 0.00 -0.67 0.00 0.61 0.98 0.00 0.00 173.24 174.16 2dcy n GLY 23 N 0.24 3.20 0.51 7.32 0.00 -1.26 -1.40 105.19 113.80 2dcy n GLY 23 Ca 0.07 -0.20 0.08 0.00 0.00 0.00 0.00 46.02 45.97 2dcy n GLY 23 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2dcy n GLY 24 N 0.00 0.24 3.88 -0.02 0.00 -1.26 -4.83 105.19 103.20 2dcy n GLY 24 Ca 0.00 -0.35 -0.33 0.00 0.00 0.00 0.00 46.02 45.34 2dcy n GLY 24 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 2dcy s ASN 25 N -1.29 6.61 0.16 1.61 3.84 -0.49 -0.66 114.94 124.71 2dcy s ASN 25 Ca 0.26 0.78 -0.12 0.00 0.21 0.00 0.00 52.86 53.99 2dcy s ASN 25 Cb 0.14 -2.17 0.01 0.00 -0.55 0.00 0.00 41.25 38.67 2dcy s ASN 25 CO 0.20 0.07 0.36 -0.72 -2.79 0.00 0.00 177.10 174.21 2dcy s TYR 26 N -1.59 0.12 0.06 0.43 -0.85 0.08 -1.15 117.35 114.45 2dcy s TYR 26 Ca 0.40 -0.48 0.00 0.00 -0.52 0.00 0.00 57.07 56.46 2dcy s TYR 26 Cb -0.13 0.12 -0.04 0.00 0.38 0.00 0.00 41.96 42.29 2dcy s TYR 26 CO 0.21 -0.75 -0.04 -1.54 -1.52 0.00 0.00 175.55 171.91 2dcy s SER 27 N -2.90 0.67 -0.02 -0.18 1.04 -0.85 -1.18 113.70 110.29 2dcy s SER 27 Ca 0.11 -0.90 0.00 0.00 0.48 0.00 0.00 55.95 55.64 2dcy s SER 27 Cb 0.02 0.14 0.02 0.00 0.10 0.00 0.00 66.02 66.31 2dcy s SER 27 CO -0.04 -0.49 0.01 -0.69 0.98 0.00 0.00 173.24 173.01 2dcy s VAL 28 N -3.33 0.03 -0.07 5.02 1.01 -0.36 -0.49 120.40 122.21 2dcy s VAL 28 Ca 0.04 0.13 0.03 0.00 0.00 0.00 0.00 61.98 62.18 2dcy s VAL 28 Cb 0.04 -0.13 0.01 0.00 0.00 0.00 0.00 36.38 36.30 2dcy s VAL 28 CO -0.07 0.09 -0.14 0.20 0.00 0.00 0.00 175.10 175.18 2dcy s ASN 29 N 0.84 1.98 0.05 3.32 -0.87 -0.58 -0.50 114.94 119.19 2dcy s ASN 29 Ca -0.07 -0.34 0.00 0.00 -1.57 0.00 0.00 52.86 50.88 2dcy s ASN 29 Cb -0.11 -0.87 -0.03 0.00 -0.02 0.00 0.00 41.25 40.22 2dcy s ASN 29 CO -0.02 0.06 -0.04 -1.66 -2.57 0.00 0.00 177.10 172.87 2dcy s TRP 30 N 0.54 0.56 -0.16 2.20 -2.14 -0.20 -0.21 118.94 119.53 2dcy s TRP 30 Ca -0.14 -0.84 -0.22 0.00 2.66 0.00 0.00 56.10 57.56 2dcy s TRP 30 Cb -0.15 -0.37 0.06 0.00 -3.10 0.00 0.00 33.47 29.90 2dcy s TRP 30 CO 0.04 -0.25 0.58 -1.54 -2.66 0.00 0.00 176.95 173.12 2dcy s SER 31 N -2.44 -0.57 -1.48 -2.66 1.04 -0.11 -1.28 113.70 106.20 2dcy s SER 31 Ca 0.01 0.94 -0.11 0.00 0.48 0.00 0.00 55.95 57.27 2dcy s SER 31 Cb 0.01 0.94 0.07 0.00 0.10 0.00 0.00 66.02 67.14 2dcy s SER 31 CO -0.05 -0.33 0.86 0.59 0.98 0.00 0.00 173.24 175.29 2dcy n ASN 32 N 2.15 -4.98 -4.74 7.02 5.03 -0.88 -1.33 115.26 117.53 2dcy n ASN 32 Ca -0.16 -0.61 -0.29 0.00 0.87 0.00 0.00 54.58 54.40 2dcy n ASN 32 Cb 0.56 -4.00 0.11 0.00 -1.02 0.00 0.00 39.78 35.43 2dcy n ASN 32 CO 0.00 0.00 0.00 0.42 -1.83 0.00 0.00 177.26 175.85 2dcy s THR 33 N -3.21 2.03 0.00 3.41 -4.23 -0.96 -2.75 115.64 109.93 2dcy s THR 33 Ca 0.56 -0.04 0.00 0.00 -1.18 0.00 0.00 61.69 61.03 2dcy s THR 33 Cb -0.28 -2.99 0.00 0.00 1.34 0.00 0.00 72.50 70.57 2dcy s THR 33 CO 0.69 0.00 0.00 0.61 -0.54 0.00 0.00 174.62 175.38 2dcy n GLY 34 N -3.36 0.81 3.89 3.99 0.00 -1.20 -3.00 105.19 106.33 2dcy n GLY 34 Ca 0.10 -0.26 -0.34 0.00 0.00 0.00 0.00 46.02 45.51 2dcy n GLY 34 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 2dcy s ASN 35 N -1.00 6.42 0.06 1.61 3.04 -1.26 -1.06 114.94 122.75 2dcy s ASN 35 Ca 0.00 0.45 -0.19 0.00 0.04 0.00 0.00 52.86 53.16 2dcy s ASN 35 Cb 0.00 -2.05 0.04 0.00 -1.54 0.00 0.00 41.25 37.70 2dcy s ASN 35 CO 0.00 0.29 0.43 0.72 -3.04 0.00 0.00 177.10 175.50 2dcy s PHE 36 N -1.26 -0.29 -0.04 0.43 -0.71 -0.90 -1.60 117.98 113.62 2dcy s PHE 36 Ca 0.25 0.21 -0.01 0.00 -1.04 0.00 0.00 56.93 56.34 2dcy s PHE 36 Cb -0.13 0.25 0.03 0.00 -1.21 0.00 0.00 43.02 41.97 2dcy s PHE 36 CO 0.15 -0.61 0.08 0.08 -1.34 0.00 0.00 175.22 173.58 2dcy s VAL 37 N -2.73 -0.07 0.02 -2.49 1.01 -0.05 -2.13 120.40 113.97 2dcy s VAL 37 Ca -0.04 0.22 0.04 0.00 0.00 0.00 0.00 61.98 62.20 2dcy s VAL 37 Cb -0.00 -0.15 -0.02 0.00 0.00 0.00 0.00 36.38 36.21 2dcy s VAL 37 CO -0.04 0.09 -0.12 -0.69 0.00 0.00 0.00 175.10 174.34 2dcy s VAL 38 N 1.22 0.91 0.00 2.92 1.01 -0.21 -1.27 120.40 124.97 2dcy s VAL 38 Ca -0.08 -0.75 0.00 0.00 0.00 0.00 0.00 61.98 61.15 2dcy s VAL 38 Cb -0.12 -0.81 0.00 0.00 0.00 0.00 0.00 36.38 35.44 2dcy s VAL 38 CO -0.04 0.07 0.00 0.61 0.00 0.00 0.00 175.10 175.73 2dcy n GLY 39 N 2.28 0.13 3.36 4.51 0.00 -0.14 -0.15 105.19 115.18 2dcy n GLY 39 Ca -0.16 -0.88 -0.28 0.00 0.00 0.00 0.00 46.02 44.70 2dcy n GLY 39 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2dcy s LYS 40 N -2.00 1.41 0.00 1.61 1.02 -1.19 -0.42 119.74 120.18 2dcy s LYS 40 Ca 0.00 -1.25 0.00 0.00 0.02 0.00 0.00 55.97 54.74 2dcy s LYS 40 Cb 0.00 -1.80 0.00 0.00 -0.52 0.00 0.00 37.83 35.51 2dcy s LYS 40 CO 0.00 0.43 0.00 0.41 -0.92 0.00 0.00 175.35 175.27 2dcy n GLY 41 N 1.13 -0.48 3.16 -3.33 0.00 -0.69 -1.10 105.19 103.87 2dcy n GLY 41 Ca -0.18 0.28 -0.25 0.00 0.00 0.00 0.00 46.02 45.87 2dcy n GLY 41 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 2dcy s TRP 42 N 0.00 1.56 0.25 1.61 0.51 0.05 -1.05 118.94 121.86 2dcy s TRP 42 Ca 0.00 -0.31 -0.04 0.00 -2.12 0.00 0.00 56.10 53.63 2dcy s TRP 42 Cb 0.00 -1.01 0.28 0.00 -0.81 0.00 0.00 33.47 31.93 2dcy s TRP 42 CO 0.00 -0.04 1.80 1.79 -0.51 0.00 0.00 176.95 179.99 2dcy h THR 43 N 4.77 1.24 -3.79 2.01 1.35 -1.86 -0.90 112.91 115.74 2dcy h THR 43 Ca -0.36 -0.83 -0.68 0.00 -0.55 0.00 0.00 66.41 63.99 2dcy h THR 43 Cb 1.15 0.50 -0.34 0.00 -1.73 0.00 0.00 68.15 67.74 2dcy h THR 43 CO 0.48 0.32 -0.72 -0.89 -0.25 0.00 0.00 175.52 174.47 2dcy s THR 44 N -5.37 2.83 0.85 6.82 2.01 -1.26 -2.83 115.64 118.69 2dcy s THR 44 Ca -0.11 -1.44 -0.11 0.00 0.31 0.00 0.00 61.69 60.34 2dcy s THR 44 Cb 0.16 -2.64 0.10 0.00 0.01 0.00 0.00 72.50 70.13 2dcy s THR 44 CO 0.82 -0.10 1.10 -0.83 -0.69 0.00 0.00 174.62 174.93 2dcy s GLY 45 N 1.23 1.66 -0.02 4.40 0.00 0.41 -4.86 107.32 110.13 2dcy s GLY 45 Ca -0.06 0.24 -0.04 0.00 0.00 0.00 0.00 44.72 44.86 2dcy s GLY 45 CO -0.02 0.65 0.10 -0.45 0.00 0.00 0.00 173.10 173.38 2dcy s SER 46 N -3.21 -0.03 0.00 1.64 0.15 -1.26 -4.83 113.70 106.16 2dcy s SER 46 Ca 0.63 0.02 0.26 0.00 0.70 0.00 0.00 55.95 57.56 2dcy s SER 46 Cb -0.19 0.20 1.55 0.00 -1.71 0.00 0.00 66.02 65.87 2dcy s SER 46 CO 0.57 -0.15 1.91 -0.81 1.20 0.00 0.00 173.24 175.96 2dcy n PRO 47 N 2.45 0.80 0.00 5.44 -0.04 -1.26 -2.85 135.00 139.54 2dcy n PRO 47 Ca -0.16 0.00 0.08 0.00 -0.04 0.00 0.00 63.50 63.37 2dcy n PRO 47 Cb 0.58 -1.50 0.05 0.00 -0.04 0.00 0.00 33.50 32.58 2dcy n PRO 47 CO 0.00 0.00 0.00 1.19 -0.04 0.00 0.00 175.50 176.65 2dcy n PHE 48 N -1.01 0.00 -2.34 0.54 3.72 -1.26 -3.31 117.46 113.81 2dcy n PHE 48 Ca 0.19 0.00 -0.41 0.00 -0.05 0.00 0.00 57.45 57.19 2dcy n PHE 48 Cb 0.09 0.00 -0.03 0.00 -0.94 0.00 0.00 39.48 38.60 2dcy n PHE 48 CO 0.00 0.00 0.00 0.50 -0.05 0.00 0.00 176.76 177.21 2dcy s ARG 49 N -1.46 4.52 -0.28 -1.08 3.52 -1.13 -4.78 118.95 118.27 2dcy s ARG 49 Ca 0.17 1.96 -0.11 0.00 -0.13 0.00 0.00 55.73 57.62 2dcy s ARG 49 Cb 0.13 -3.15 -0.05 0.00 -1.56 0.00 0.00 34.95 30.32 2dcy s ARG 49 CO 0.25 0.04 0.18 0.99 -0.81 0.00 0.00 175.30 175.95 2dcy s THR 50 N -1.01 5.26 -0.26 4.11 2.01 -1.26 -2.60 115.64 121.88 2dcy s THR 50 Ca 0.47 0.15 -0.11 0.00 0.31 0.00 0.00 61.69 62.51 2dcy s THR 50 Cb -0.35 -3.50 -0.05 0.00 0.01 0.00 0.00 72.50 68.61 2dcy s THR 50 CO 0.45 0.26 0.17 -0.63 -0.69 0.00 0.00 174.62 174.18 2dcy s ILE 51 N 1.70 5.34 -0.05 1.82 1.09 -0.38 -4.97 121.20 125.75 2dcy s ILE 51 Ca 0.07 0.18 -0.02 0.00 -1.10 0.00 0.00 60.65 59.78 2dcy s ILE 51 Cb -0.16 -3.51 -0.04 0.00 -1.06 0.00 0.00 42.46 37.69 2dcy s ILE 51 CO 0.10 0.30 0.04 0.20 -0.10 0.00 0.00 174.94 175.49 2dcy s ASN 52 N 1.36 5.50 0.16 3.58 0.01 0.05 -0.29 114.94 125.31 2dcy s ASN 52 Ca 0.07 0.16 -0.14 0.00 -0.71 0.00 0.00 52.86 52.25 2dcy s ASN 52 Cb -0.15 -1.58 0.02 0.00 0.41 0.00 0.00 41.25 39.96 2dcy s ASN 52 CO 0.07 0.34 0.40 -0.72 -1.51 0.00 0.00 177.10 175.68 2dcy s TYR 53 N -1.03 0.02 -0.12 2.20 1.13 0.13 -1.02 117.35 118.66 2dcy s TYR 53 Ca 0.17 -0.37 -0.04 0.00 -1.41 0.00 0.00 57.07 55.43 2dcy s TYR 53 Cb -0.12 0.20 0.05 0.00 -1.10 0.00 0.00 41.96 40.99 2dcy s TYR 53 CO 0.07 -0.77 0.07 1.21 -2.51 0.00 0.00 175.55 173.62 2dcy s ASN 54 N -2.88 1.92 -0.73 -0.18 3.84 0.03 -0.46 114.94 116.48 2dcy s ASN 54 Ca 0.09 -0.36 -0.19 0.00 0.21 0.00 0.00 52.86 52.61 2dcy s ASN 54 Cb 0.01 -0.23 0.12 0.00 -0.55 0.00 0.00 41.25 40.61 2dcy s ASN 54 CO -0.05 -0.31 0.88 0.00 -2.79 0.00 0.00 177.10 174.83 2dcy s ALA 55 N 2.13 3.44 0.37 1.71 0.00 -1.26 -1.02 121.76 127.14 2dcy s ALA 55 Ca 0.03 -2.48 0.14 0.00 0.00 0.00 0.00 51.96 49.65 2dcy s ALA 55 Cb -0.15 -3.73 0.78 0.00 0.00 0.00 0.00 23.12 20.03 2dcy s ALA 55 CO -0.07 -2.60 1.85 0.78 0.00 0.00 0.00 175.76 175.73 2dcy h GLY 56 N 10.02 0.00 -5.73 0.00 0.00 -1.45 -0.82 103.07 105.09 2dcy h GLY 56 Ca -0.11 0.00 -0.43 0.00 0.00 0.00 0.00 47.33 46.79 2dcy h GLY 56 CO 1.07 0.00 -0.79 0.14 0.00 0.00 0.00 176.54 176.96 2dcy s VAL 57 N -4.21 0.78 -0.37 4.60 1.01 -1.06 -4.73 120.40 116.42 2dcy s VAL 57 Ca -0.03 -0.33 0.02 0.00 0.00 0.00 0.00 61.98 61.64 2dcy s VAL 57 Cb 0.14 -0.71 0.15 0.00 0.00 0.00 0.00 36.38 35.96 2dcy s VAL 57 CO 0.71 0.26 0.28 0.86 0.00 0.00 0.00 175.10 177.21 2dcy s TRP 58 N 0.41 0.53 -0.51 5.22 -0.00 -1.26 -1.29 118.94 122.04 2dcy s TRP 58 Ca -0.07 -1.58 0.07 0.00 -0.00 0.00 0.00 56.10 54.53 2dcy s TRP 58 Cb -0.11 -0.78 0.29 0.00 -0.00 0.00 0.00 33.47 32.87 2dcy s TRP 58 CO 0.01 -0.87 0.72 0.00 -0.00 0.00 0.00 176.95 176.81 2dcy n ALA 59 N 3.82 3.35 -1.77 5.86 0.00 0.13 -5.04 120.51 126.85 2dcy n ALA 59 Ca 0.16 -4.11 -0.40 0.00 0.00 0.00 0.00 53.44 49.08 2dcy n ALA 59 Cb 0.41 -0.84 -0.02 0.00 0.00 0.00 0.00 19.45 18.99 2dcy n ALA 59 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 2dcy s PRO 60 N -2.30 4.31 -0.56 0.00 0.04 -1.26 -2.04 135.00 133.19 2dcy s PRO 60 Ca 0.40 2.08 0.01 0.00 0.04 0.00 0.00 61.00 63.54 2dcy s PRO 60 Cb 0.22 -2.99 0.14 0.00 0.04 0.00 0.00 34.50 31.91 2dcy s PRO 60 CO -0.08 -0.18 0.33 1.21 0.04 0.00 0.00 177.00 178.32 2dcy s ASN 61 N -0.68 4.68 0.00 6.66 3.84 0.10 -4.91 114.94 124.63 2dcy s ASN 61 Ca 0.50 -2.94 0.00 0.00 0.21 0.00 0.00 52.86 50.63 2dcy s ASN 61 Cb -0.37 -1.72 0.00 0.00 -0.55 0.00 0.00 41.25 38.61 2dcy s ASN 61 CO 0.48 -0.29 0.00 0.61 -2.79 0.00 0.00 177.10 175.12 2dcy n GLY 62 N 3.27 0.23 3.57 1.21 0.00 -1.26 -2.54 105.19 109.67 2dcy n GLY 62 Ca 0.06 -1.85 -0.43 0.00 0.00 0.00 0.00 46.02 43.80 2dcy n GLY 62 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 2dcy s ASN 63 N -4.00 6.53 0.04 1.61 3.04 -1.26 -1.57 114.94 119.32 2dcy s ASN 63 Ca 0.00 0.22 -0.14 0.00 0.04 0.00 0.00 52.86 52.97 2dcy s ASN 63 Cb 0.00 -2.43 0.02 0.00 -1.54 0.00 0.00 41.25 37.31 2dcy s ASN 63 CO 0.00 -0.91 0.31 -0.83 -3.04 0.00 0.00 177.10 172.63 2dcy s GLY 64 N 2.06 -0.13 0.01 1.21 0.00 -1.26 -1.91 107.32 107.30 2dcy s GLY 64 Ca 0.34 0.06 0.08 0.00 0.00 0.00 0.00 44.72 45.20 2dcy s GLY 64 CO 0.22 -0.16 -0.25 -0.19 0.00 0.00 0.00 173.10 172.72 2dcy s TYR 65 N -2.41 2.23 -0.33 1.90 2.02 0.64 -1.31 117.35 120.10 2dcy s TYR 65 Ca -0.06 -0.42 -0.05 0.00 -0.37 0.00 0.00 57.07 56.17 2dcy s TYR 65 Cb -0.01 -1.39 0.04 0.00 -0.40 0.00 0.00 41.96 40.20 2dcy s TYR 65 CO -0.02 0.03 0.07 -1.17 -1.57 0.00 0.00 175.55 172.89 2dcy s LEU 66 N -0.87 4.20 -0.14 -1.29 2.96 -0.32 -1.22 118.68 121.99 2dcy s LEU 66 Ca 0.10 -1.17 -0.19 0.00 -0.22 0.00 0.00 54.13 52.65 2dcy s LEU 66 Cb -0.10 -1.82 0.05 0.00 0.50 0.00 0.00 46.19 44.82 2dcy s LEU 66 CO 0.00 -0.31 0.49 0.28 -1.32 0.00 0.00 176.35 175.50 2dcy s THR 67 N 1.36 0.01 0.48 3.68 -1.32 -0.41 -1.21 115.64 118.23 2dcy s THR 67 Ca -0.03 -0.08 -0.23 0.00 -1.21 0.00 0.00 61.69 60.14 2dcy s THR 67 Cb -0.20 -0.72 -0.07 0.00 -1.51 0.00 0.00 72.50 70.01 2dcy s THR 67 CO 0.02 -0.04 1.32 -0.22 -2.21 0.00 0.00 174.62 173.48 2dcy s LEU 68 N -0.17 4.00 -0.15 9.08 2.96 0.04 0.12 118.68 134.57 2dcy s LEU 68 Ca -0.04 2.67 -0.10 0.00 -0.22 0.00 0.00 54.13 56.45 2dcy s LEU 68 Cb -0.03 -4.14 0.05 0.00 0.50 0.00 0.00 46.19 42.57 2dcy s LEU 68 CO 0.02 -1.22 0.37 -0.47 -1.32 0.00 0.00 176.35 173.73 2dcy s TYR 69 N -1.33 -0.49 0.06 5.38 5.04 0.16 -1.87 117.35 124.31 2dcy s TYR 69 Ca 0.65 1.10 -0.17 0.00 -2.44 0.00 0.00 57.07 56.21 2dcy s TYR 69 Cb -0.38 0.19 0.06 0.00 0.35 0.00 0.00 41.96 42.18 2dcy s TYR 69 CO 0.47 -0.27 0.81 0.41 -1.34 0.00 0.00 175.55 175.62 2dcy n GLY 70 N 3.78 0.59 3.14 8.97 0.00 -0.90 -0.68 105.19 120.09 2dcy n GLY 70 Ca -0.20 -1.04 -0.12 0.00 0.00 0.00 0.00 46.02 44.66 2dcy n GLY 70 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 2dcy s TRP 71 N -2.83 0.88 0.33 1.61 0.52 -1.17 -0.90 118.94 117.38 2dcy s TRP 71 Ca 0.19 -0.72 0.10 0.00 0.02 0.00 0.00 56.10 55.68 2dcy s TRP 71 Cb -0.01 -0.50 -0.06 0.00 -1.15 0.00 0.00 33.47 31.74 2dcy s TRP 71 CO 0.02 -0.09 -0.12 0.95 0.02 0.00 0.00 176.95 177.73 2dcy s THR 72 N -2.66 2.33 0.34 2.01 -4.23 -0.33 -1.83 115.64 111.28 2dcy s THR 72 Ca 0.04 -2.25 0.09 0.00 -1.18 0.00 0.00 61.69 58.39 2dcy s THR 72 Cb -0.01 -2.56 -0.06 0.00 1.34 0.00 0.00 72.50 71.21 2dcy s THR 72 CO -0.02 -0.26 -0.01 -0.13 -0.54 0.00 0.00 174.62 173.66 2dcy s ARG 73 N -3.59 2.02 -1.09 3.99 0.52 0.14 -1.43 118.95 119.51 2dcy s ARG 73 Ca 0.32 -1.79 -0.13 0.00 -0.52 0.00 0.00 55.73 53.61 2dcy s ARG 73 Cb 0.00 -1.88 -0.04 0.00 0.52 0.00 0.00 34.95 33.55 2dcy s ARG 73 CO 0.16 0.14 0.86 0.43 0.02 0.00 0.00 175.30 176.92 2dcy n SER 74 N -0.91 -6.05 -4.97 0.23 7.64 -1.26 -1.89 113.62 106.41 2dcy n SER 74 Ca -0.04 -0.85 -0.20 0.00 1.01 0.00 0.00 58.87 58.78 2dcy n SER 74 Cb 0.62 -4.35 0.04 0.00 -1.01 0.00 0.00 64.21 59.51 2dcy n SER 74 CO 0.00 0.00 0.00 -2.16 -3.01 0.00 0.00 175.04 169.87 2dcy s PRO 75 N -5.13 2.55 -0.24 1.43 0.04 -1.26 -2.04 135.00 130.35 2dcy s PRO 75 Ca 0.47 -0.87 -0.28 0.00 0.04 0.00 0.00 61.00 60.35 2dcy s PRO 75 Cb -0.11 -2.53 -0.04 0.00 0.04 0.00 0.00 34.50 31.86 2dcy s PRO 75 CO 0.80 -0.67 1.98 -1.17 0.04 0.00 0.00 177.00 177.97 2dcy s LEU 76 N -4.71 3.58 -0.03 -3.56 2.96 -1.25 -3.80 118.68 111.87 2dcy s LEU 76 Ca 0.57 1.69 0.01 0.00 -0.22 0.00 0.00 54.13 56.19 2dcy s LEU 76 Cb -0.10 -3.52 0.02 0.00 0.50 0.00 0.00 46.19 43.09 2dcy s LEU 76 CO 0.38 -1.73 -0.02 -0.63 -1.32 0.00 0.00 176.35 173.02 2dcy s ILE 77 N 7.17 0.33 -0.21 6.68 -1.09 -0.51 -3.90 121.20 129.66 2dcy s ILE 77 Ca 0.89 -0.05 -0.10 0.00 -2.23 0.00 0.00 60.65 59.16 2dcy s ILE 77 Cb -0.29 -0.36 -0.05 0.00 -1.58 0.00 0.00 42.46 40.18 2dcy s ILE 77 CO 0.34 0.16 0.12 -0.70 -1.23 0.00 0.00 174.94 173.63 2dcy s GLU 78 N 0.69 4.09 0.16 2.79 2.12 -0.91 -1.18 118.70 126.45 2dcy s GLU 78 Ca -0.08 -0.27 0.05 0.00 0.36 0.00 0.00 54.97 55.04 2dcy s GLU 78 Cb -0.11 -3.42 -0.04 0.00 0.26 0.00 0.00 34.13 30.82 2dcy s GLU 78 CO -0.01 0.20 -0.11 1.52 -0.54 0.00 0.00 175.26 176.32 2dcy s TYR 79 N 0.63 1.35 -0.04 5.30 -0.85 -0.07 -1.11 117.35 122.56 2dcy s TYR 79 Ca 0.07 -0.71 -0.03 0.00 -0.52 0.00 0.00 57.07 55.87 2dcy s TYR 79 Cb -0.12 -0.67 0.01 0.00 0.38 0.00 0.00 41.96 41.56 2dcy s TYR 79 CO 0.01 0.14 0.10 0.71 -1.52 0.00 0.00 175.55 174.99 2dcy s TYR 80 N -3.19 -0.11 -0.33 -3.49 1.51 -0.23 -2.13 117.35 109.38 2dcy s TYR 80 Ca 0.17 0.28 0.03 0.00 -1.01 0.00 0.00 57.07 56.54 2dcy s TYR 80 Cb 0.01 0.02 0.10 0.00 -0.11 0.00 0.00 41.96 41.98 2dcy s TYR 80 CO 0.02 -0.06 0.06 0.08 -1.11 0.00 0.00 175.55 174.54 2dcy s VAL 81 N 0.18 1.92 -0.36 0.71 1.01 -0.78 -1.11 120.40 121.97 2dcy s VAL 81 Ca -0.01 -2.11 -0.22 0.00 0.00 0.00 0.00 61.98 59.64 2dcy s VAL 81 Cb -0.02 -2.43 0.01 0.00 0.00 0.00 0.00 36.38 33.94 2dcy s VAL 81 CO -0.01 -0.62 0.74 -0.69 0.00 0.00 0.00 175.10 174.52 2dcy s VAL 82 N 1.08 4.78 -0.12 2.92 1.01 0.30 -0.78 120.40 129.60 2dcy s VAL 82 Ca 0.11 0.81 0.16 0.00 0.00 0.00 0.00 61.98 63.05 2dcy s VAL 82 Cb -0.19 -4.17 -0.23 0.00 0.00 0.00 0.00 36.38 31.80 2dcy s VAL 82 CO -0.12 -0.39 0.42 0.47 0.00 0.00 0.00 175.10 175.48 2dcy n ASP 83 N 6.29 0.48 -3.91 3.32 8.00 -0.35 -1.21 116.55 129.17 2dcy n ASP 83 Ca 0.02 0.22 -0.08 0.00 0.71 0.00 0.00 54.79 55.66 2dcy n ASP 83 Cb 0.48 0.47 -0.04 0.00 -0.02 0.00 0.00 41.12 42.02 2dcy n ASP 83 CO 0.00 0.00 0.00 -0.55 -0.39 0.00 0.00 177.20 176.26 2dcy s SER 84 N -5.76 -0.13 0.30 -2.24 0.15 -1.03 -0.78 113.70 104.21 2dcy s SER 84 Ca -0.07 -0.83 -0.09 0.00 0.70 0.00 0.00 55.95 55.66 2dcy s SER 84 Cb 0.07 0.64 0.04 0.00 -1.71 0.00 0.00 66.02 65.07 2dcy s SER 84 CO 0.83 -1.23 0.55 -2.67 1.20 0.00 0.00 173.24 171.92 2dcy n TRP 85 N -0.42 -1.86 0.00 3.44 2.14 -1.26 -1.17 117.44 118.31 2dcy n TRP 85 Ca -0.03 -1.53 0.00 0.00 2.07 0.00 0.00 57.50 58.02 2dcy n TRP 85 Cb 0.61 0.65 0.00 0.00 -0.81 0.00 0.00 31.31 31.76 2dcy n TRP 85 CO 0.00 0.00 0.00 0.41 2.07 0.00 0.00 177.69 180.17 2dcy n GLY 86 N -0.42 0.54 0.02 -1.67 0.00 -0.42 -4.92 105.19 98.31 2dcy n GLY 86 Ca -0.05 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.10 2dcy n GLY 86 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2dcy n THR 87 N 0.00 0.00 -3.95 2.61 -2.24 -0.61 -4.78 114.28 105.31 2dcy n THR 87 Ca 0.00 -0.01 -0.29 0.00 -2.27 0.00 0.00 64.05 61.48 2dcy n THR 87 Cb 0.00 -0.20 -0.16 0.00 -2.10 0.00 0.00 70.33 67.87 2dcy n THR 87 CO 0.00 0.00 0.00 -0.47 -0.57 0.00 0.00 175.07 174.03 2dcy s TYR 88 N -2.90 2.06 -0.30 4.78 5.04 -1.26 -5.00 117.35 119.77 2dcy s TYR 88 Ca 0.16 -1.32 -0.22 0.00 -2.44 0.00 0.00 57.07 53.25 2dcy s TYR 88 Cb 0.19 -1.49 -0.01 0.00 0.35 0.00 0.00 41.96 41.01 2dcy s TYR 88 CO 0.57 -0.68 0.70 0.50 -1.34 0.00 0.00 175.55 175.30 2dcy s ARG 89 N 1.51 3.95 0.23 4.97 3.52 -1.26 -4.82 118.95 127.05 2dcy s ARG 89 Ca 0.00 0.45 -0.30 0.00 -0.13 0.00 0.00 55.73 55.75 2dcy s ARG 89 Cb -0.15 -3.72 -0.09 0.00 -1.56 0.00 0.00 34.95 29.43 2dcy s ARG 89 CO -0.08 -0.60 1.30 -1.25 -0.81 0.00 0.00 175.30 173.86 2dcy s PRO 90 N 2.74 4.40 0.18 5.12 0.04 -1.26 -5.02 135.00 141.20 2dcy s PRO 90 Ca 0.28 2.07 -0.01 0.00 0.04 0.00 0.00 61.00 63.38 2dcy s PRO 90 Cb -0.15 -3.17 -0.04 0.00 0.04 0.00 0.00 34.50 31.18 2dcy s PRO 90 CO 0.12 -0.21 0.11 0.95 0.04 0.00 0.00 177.00 178.00 2dcy s THR 91 N -0.18 0.04 0.00 1.26 -4.23 -1.26 -4.91 115.64 106.35 2dcy s THR 91 Ca 0.55 -1.97 0.00 0.00 -1.18 0.00 0.00 61.69 59.08 2dcy s THR 91 Cb -0.37 -2.35 0.00 0.00 1.34 0.00 0.00 72.50 71.12 2dcy s THR 91 CO 0.41 -0.15 0.00 0.61 -0.54 0.00 0.00 174.62 174.94 2dcy n GLY 92 N -0.21 3.14 3.63 3.99 0.00 -1.26 -5.03 105.19 109.45 2dcy n GLY 92 Ca -0.00 -0.14 -0.43 0.00 0.00 0.00 0.00 46.02 45.44 2dcy n GLY 92 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2dcy s THR 93 N 0.05 3.99 0.05 2.61 2.01 0.43 -4.85 115.64 119.94 2dcy s THR 93 Ca 0.00 1.10 -0.31 0.00 0.31 0.00 0.00 61.69 62.80 2dcy s THR 93 Cb 0.00 -4.04 -0.05 0.00 0.01 0.00 0.00 72.50 68.42 2dcy s THR 93 CO 0.00 -0.46 1.17 -0.47 -0.69 0.00 0.00 174.62 174.17 2dcy s TYR 94 N 4.75 3.46 -0.13 4.92 5.04 -1.26 -1.19 117.35 132.93 2dcy s TYR 94 Ca 0.61 1.34 -0.00 0.00 -2.44 0.00 0.00 57.07 56.58 2dcy s TYR 94 Cb -0.18 -3.39 -0.08 0.00 0.35 0.00 0.00 41.96 38.66 2dcy s TYR 94 CO 0.26 -1.14 -0.12 1.63 -1.34 0.00 0.00 175.55 174.83 2dcy n LYS 95 N 3.95 0.32 -3.97 4.97 4.76 0.16 -4.97 118.16 123.37 2dcy n LYS 95 Ca 0.09 0.08 0.00 0.00 -2.87 0.00 0.00 58.31 55.61 2dcy n LYS 95 Cb 0.47 -1.22 0.00 0.00 -1.84 0.00 0.00 35.03 32.44 2dcy n LYS 95 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2dcy n GLY 96 N 2.78 -0.76 3.27 0.72 0.00 -1.23 -5.00 105.19 104.98 2dcy n GLY 96 Ca -0.23 -1.16 -0.15 0.00 0.00 0.00 0.00 46.02 44.48 2dcy n GLY 96 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2dcy s THR 97 N -3.00 0.96 -0.08 2.61 -4.23 -1.26 -0.46 115.64 110.18 2dcy s THR 97 Ca 0.00 -2.02 -0.07 0.00 -1.18 0.00 0.00 61.69 58.42 2dcy s THR 97 Cb 0.00 -2.11 0.02 0.00 1.34 0.00 0.00 72.50 71.75 2dcy s THR 97 CO 0.00 -0.51 0.20 0.54 -0.54 0.00 0.00 174.62 174.31 2dcy s VAL 98 N -3.47 -0.00 -0.13 2.29 0.11 -0.25 -4.93 120.40 114.02 2dcy s VAL 98 Ca 0.23 0.01 -0.14 0.00 -2.93 0.00 0.00 61.98 59.15 2dcy s VAL 98 Cb 0.05 -0.29 -0.05 0.00 -1.53 0.00 0.00 36.38 34.56 2dcy s VAL 98 CO 0.04 0.01 0.33 -0.54 -3.33 0.00 0.00 175.10 171.61 2dcy s LYS 99 N 0.21 4.18 -0.26 1.54 1.02 -1.26 -0.52 119.74 124.65 2dcy s LYS 99 Ca -0.01 0.19 -0.25 0.00 0.02 0.00 0.00 55.97 55.92 2dcy s LYS 99 Cb -0.02 -3.39 0.07 0.00 -0.52 0.00 0.00 37.83 33.97 2dcy s LYS 99 CO -0.00 0.31 0.72 0.45 -0.92 0.00 0.00 175.35 175.91 2dcy s SER 100 N 0.21 -0.74 -1.44 2.83 0.15 -0.44 -4.99 113.70 109.28 2dcy s SER 100 Ca 0.19 1.41 -0.08 0.00 0.70 0.00 0.00 55.95 58.17 2dcy s SER 100 Cb -0.14 1.42 0.05 0.00 -1.71 0.00 0.00 66.02 65.64 2dcy s SER 100 CO 0.06 -0.26 0.89 0.47 1.20 0.00 0.00 173.24 175.60 2dcy n ASP 101 N 2.61 -3.49 0.00 5.45 8.00 -1.26 -1.19 116.55 126.67 2dcy n ASP 101 Ca -0.14 -0.78 0.00 0.00 0.71 0.00 0.00 54.79 54.58 2dcy n ASP 101 Cb 0.55 -4.01 0.00 0.00 -0.02 0.00 0.00 41.12 37.65 2dcy n ASP 101 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2dcy n GLY 102 N -1.67 0.76 3.61 0.44 0.00 -1.26 -4.94 105.19 102.13 2dcy n GLY 102 Ca -0.09 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.66 2dcy n GLY 102 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2dcy s GLY 103 N -2.00 2.35 -0.10 -0.02 0.00 -0.33 -5.14 107.32 102.07 2dcy s GLY 103 Ca 0.00 -2.18 0.02 0.00 0.00 0.00 0.00 44.72 42.56 2dcy s GLY 103 CO 0.00 -2.04 -0.18 -1.59 0.00 0.00 0.00 173.10 169.29 2dcy s THR 104 N -2.65 2.59 -0.02 0.90 2.01 -1.26 -1.32 115.64 115.88 2dcy s THR 104 Ca 0.35 -0.84 0.08 0.00 0.31 0.00 0.00 61.69 61.58 2dcy s THR 104 Cb 0.06 -2.03 -0.02 0.00 0.01 0.00 0.00 72.50 70.52 2dcy s THR 104 CO 0.18 0.55 -0.25 -0.31 -0.69 0.00 0.00 174.62 174.10 2dcy s TYR 105 N 0.18 2.37 0.22 4.92 1.51 0.33 -0.63 117.35 126.25 2dcy s TYR 105 Ca -0.11 -0.41 -0.19 0.00 -1.01 0.00 0.00 57.07 55.35 2dcy s TYR 105 Cb -0.16 -1.51 -0.08 0.00 -0.11 0.00 0.00 41.96 40.10 2dcy s TYR 105 CO 0.06 -0.02 0.72 -0.51 -1.11 0.00 0.00 175.55 174.69 2dcy s ASP 106 N -0.62 7.04 -0.16 2.29 1.01 0.09 -1.09 116.67 125.23 2dcy s ASP 106 Ca 0.10 1.40 -0.05 0.00 0.71 0.00 0.00 52.55 54.72 2dcy s ASP 106 Cb -0.10 -2.41 -0.03 0.00 1.01 0.00 0.00 42.92 41.39 2dcy s ASP 106 CO -0.01 0.03 -0.01 -0.63 0.21 0.00 0.00 175.17 174.76 2dcy s ILE 107 N -1.53 4.11 0.11 0.77 1.01 0.39 -0.46 121.20 125.60 2dcy s ILE 107 Ca 0.43 -0.28 0.04 0.00 0.00 0.00 0.00 60.65 60.84 2dcy s ILE 107 Cb -0.16 -2.81 -0.04 0.00 0.01 0.00 0.00 42.46 39.46 2dcy s ILE 107 CO 0.21 0.49 -0.11 -0.31 0.00 0.00 0.00 174.94 175.21 2dcy s TYR 108 N 0.34 1.18 0.14 3.97 2.02 -0.36 -0.66 117.35 123.98 2dcy s TYR 108 Ca -0.02 -0.64 0.10 0.00 -0.37 0.00 0.00 57.07 56.14 2dcy s TYR 108 Cb -0.14 -0.63 -0.04 0.00 -0.40 0.00 0.00 41.96 40.75 2dcy s TYR 108 CO 0.02 0.05 -0.24 0.95 -1.57 0.00 0.00 175.55 174.77 2dcy s THR 109 N -2.45 2.06 0.05 -0.71 -4.23 -0.33 -0.81 115.64 109.23 2dcy s THR 109 Ca 0.08 -1.76 -0.02 0.00 -1.18 0.00 0.00 61.69 58.81 2dcy s THR 109 Cb -0.03 -1.87 -0.03 0.00 1.34 0.00 0.00 72.50 71.91 2dcy s THR 109 CO 0.01 -0.04 0.00 0.42 -0.54 0.00 0.00 174.62 174.48 2dcy s THR 110 N -1.31 0.20 -0.11 3.99 -4.23 -0.68 -0.43 115.64 113.07 2dcy s THR 110 Ca 0.13 -1.63 -0.01 0.00 -1.18 0.00 0.00 61.69 59.00 2dcy s THR 110 Cb -0.09 -1.37 -0.02 0.00 1.34 0.00 0.00 72.50 72.35 2dcy s THR 110 CO 0.06 -0.90 -0.08 -0.89 -0.54 0.00 0.00 174.62 172.27 2dcy s THR 111 N -3.66 3.51 -0.10 3.99 2.01 -1.26 -0.08 115.64 120.05 2dcy s THR 111 Ca 0.04 -0.52 -0.03 0.00 0.31 0.00 0.00 61.69 61.49 2dcy s THR 111 Cb 0.06 -2.48 -0.04 0.00 0.01 0.00 0.00 72.50 70.05 2dcy s THR 111 CO -0.09 0.54 0.04 -0.13 -0.69 0.00 0.00 174.62 174.29 2dcy s ARG 112 N -0.07 3.14 -0.04 4.92 1.81 -0.57 -4.98 118.95 123.17 2dcy s ARG 112 Ca -0.00 -0.33 -0.01 0.00 -1.72 0.00 0.00 55.73 53.66 2dcy s ARG 112 Cb -0.13 -2.91 0.03 0.00 -0.45 0.00 0.00 34.95 31.49 2dcy s ARG 112 CO 0.03 0.70 0.06 -0.47 -0.68 0.00 0.00 175.30 174.95 2dcy s TYR 113 N -0.87 0.01 -1.31 -0.53 5.04 -1.26 -1.56 117.35 116.87 2dcy s TYR 113 Ca 0.13 0.26 -0.07 0.00 -2.44 0.00 0.00 57.07 54.96 2dcy s TYR 113 Cb -0.12 -0.34 -0.00 0.00 0.35 0.00 0.00 41.96 41.86 2dcy s TYR 113 CO 0.03 -0.16 0.56 0.09 -1.34 0.00 0.00 175.55 174.73 2dcy n ASN 114 N 4.79 -1.87 -4.33 4.32 5.03 -0.67 -4.92 115.26 117.61 2dcy n ASN 114 Ca -0.15 -0.99 -0.22 0.00 0.87 0.00 0.00 54.58 54.10 2dcy n ASN 114 Cb 0.50 -3.24 -0.11 0.00 -1.02 0.00 0.00 39.78 35.91 2dcy n ASN 114 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 2dcy s ALA 115 N -3.78 2.01 0.34 5.41 0.00 -0.00 -4.58 121.76 121.16 2dcy s ALA 115 Ca 0.14 -1.50 -0.27 0.00 0.00 0.00 0.00 51.96 50.33 2dcy s ALA 115 Cb -0.05 -0.18 -0.09 0.00 0.00 0.00 0.00 23.12 22.80 2dcy s ALA 115 CO 0.87 0.23 1.14 -1.25 0.00 0.00 0.00 175.76 176.75 2dcy s PRO 116 N -2.84 4.37 0.28 0.00 0.04 -0.95 -0.19 135.00 135.71 2dcy s PRO 116 Ca 0.16 1.82 -0.05 0.00 0.04 0.00 0.00 61.00 62.97 2dcy s PRO 116 Cb -0.05 -2.93 0.02 0.00 0.04 0.00 0.00 34.50 31.57 2dcy s PRO 116 CO 0.07 -0.04 0.46 -1.13 0.04 0.00 0.00 177.00 176.40 2dcy n SER 117 N 0.64 -1.31 0.12 6.66 3.41 -0.03 -4.94 113.62 118.16 2dcy n SER 117 Ca 0.01 -2.34 0.09 0.00 -0.26 0.00 0.00 58.87 56.37 2dcy n SER 117 Cb 0.46 2.31 0.44 0.00 -0.26 0.00 0.00 64.21 67.15 2dcy n SER 117 CO 0.00 0.00 0.00 2.30 -0.16 0.00 0.00 175.04 177.18 2dcy n ILE 118 N -0.42 1.22 1.10 -1.33 -5.35 -1.26 -2.09 119.36 111.22 2dcy n ILE 118 Ca -0.02 0.59 0.12 0.00 -0.27 0.00 0.00 62.75 63.17 2dcy n ILE 118 Cb 0.44 -1.57 0.15 0.00 -1.74 0.00 0.00 39.64 36.93 2dcy n ILE 118 CO 0.00 0.00 0.00 0.47 -1.76 0.00 0.00 176.55 175.26 2dcy n ASP 119 N -2.06 2.05 0.00 7.28 9.92 -1.26 -5.08 116.55 127.41 2dcy n ASP 119 Ca -0.00 -1.53 0.00 0.00 -0.53 0.00 0.00 54.79 52.72 2dcy n ASP 119 Cb 0.06 0.24 0.00 0.00 -0.64 0.00 0.00 41.12 40.78 2dcy n ASP 119 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 2dcy n GLY 120 N 1.36 0.77 0.10 0.44 0.00 -0.89 -4.95 105.19 102.02 2dcy n GLY 120 Ca 0.12 -1.73 -0.03 0.00 0.00 0.00 0.00 46.02 44.38 2dcy n GLY 120 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 2dcy h ASP 121 N 0.00 0.00 -2.99 1.61 3.32 -1.84 -0.04 116.42 116.49 2dcy h ASP 121 Ca 0.00 0.00 -0.59 0.00 0.02 0.00 0.00 57.03 56.46 2dcy h ASP 121 Cb 0.00 0.00 -0.40 0.00 0.22 0.00 0.00 39.33 39.15 2dcy h ASP 121 CO 0.00 0.78 -0.80 -0.13 -1.72 0.00 0.00 179.24 177.37 2dcy s ARG 122 N -3.02 0.82 0.14 3.56 1.81 -1.24 -2.25 118.95 118.77 2dcy s ARG 122 Ca 0.01 -1.53 0.00 0.00 -1.72 0.00 0.00 55.73 52.50 2dcy s ARG 122 Cb 0.10 -1.73 -0.04 0.00 -0.45 0.00 0.00 34.95 32.83 2dcy s ARG 122 CO 0.78 -1.17 0.02 0.95 -0.68 0.00 0.00 175.30 175.20 2dcy s THR 123 N 0.89 0.41 -0.06 0.02 -4.23 0.73 -4.69 115.64 108.72 2dcy s THR 123 Ca 0.17 -1.93 0.06 0.00 -1.18 0.00 0.00 61.69 58.80 2dcy s THR 123 Cb -0.23 -2.01 -0.01 0.00 1.34 0.00 0.00 72.50 71.59 2dcy s THR 123 CO -0.03 -0.54 -0.24 -0.89 -0.54 0.00 0.00 174.62 172.38 2dcy s THR 124 N -3.83 2.01 0.15 3.99 2.01 -1.26 -0.82 115.64 117.89 2dcy s THR 124 Ca 0.22 -1.03 -0.24 0.00 0.31 0.00 0.00 61.69 60.94 2dcy s THR 124 Cb 0.07 -1.71 0.06 0.00 0.01 0.00 0.00 72.50 70.93 2dcy s THR 124 CO 0.01 0.56 0.74 0.72 -0.69 0.00 0.00 174.62 175.96 2dcy s PHE 125 N -0.05 -0.36 0.02 4.92 -0.12 -0.60 -4.99 117.98 116.80 2dcy s PHE 125 Ca -0.07 0.10 -0.07 0.00 -0.05 0.00 0.00 56.93 56.84 2dcy s PHE 125 Cb -0.14 0.60 -0.05 0.00 -0.63 0.00 0.00 43.02 42.80 2dcy s PHE 125 CO 0.05 -0.87 0.30 0.99 -0.05 0.00 0.00 175.22 175.63 2dcy s THR 126 N -3.59 5.26 -0.15 -4.49 2.01 -1.25 -1.51 115.64 111.91 2dcy s THR 126 Ca 0.06 0.23 -0.05 0.00 0.31 0.00 0.00 61.69 62.23 2dcy s THR 126 Cb -0.02 -3.58 -0.04 0.00 0.01 0.00 0.00 72.50 68.87 2dcy s THR 126 CO -0.06 0.35 0.03 -1.10 -0.69 0.00 0.00 174.62 173.15 2dcy s GLN 127 N -1.78 3.66 -0.16 4.92 -0.21 0.88 -2.15 119.66 124.82 2dcy s GLN 127 Ca 0.29 -0.39 -0.06 0.00 0.02 0.00 0.00 55.36 55.22 2dcy s GLN 127 Cb -0.13 -3.04 -0.04 0.00 1.00 0.00 0.00 33.01 30.80 2dcy s GLN 127 CO 0.16 0.39 0.04 0.71 -2.12 0.00 0.00 175.29 174.47 2dcy s TYR 128 N 0.02 3.22 -0.05 0.91 2.02 -0.27 -1.69 117.35 121.50 2dcy s TYR 128 Ca 0.04 0.06 0.03 0.00 -0.37 0.00 0.00 57.07 56.82 2dcy s TYR 128 Cb -0.13 -1.99 0.01 0.00 -0.40 0.00 0.00 41.96 39.45 2dcy s TYR 128 CO 0.01 0.22 -0.14 -1.58 -1.57 0.00 0.00 175.55 172.49 2dcy s TRP 129 N 0.04 1.48 -0.17 2.71 0.52 0.01 -1.07 118.94 122.47 2dcy s TRP 129 Ca 0.04 -0.48 -0.04 0.00 0.02 0.00 0.00 56.10 55.64 2dcy s TRP 129 Cb -0.12 -1.05 -0.02 0.00 -1.15 0.00 0.00 33.47 31.12 2dcy s TRP 129 CO 0.01 -0.21 -0.03 -1.12 0.02 0.00 0.00 176.95 175.62 2dcy s SER 130 N 0.36 4.73 -0.11 2.95 0.01 -0.27 -1.22 113.70 120.15 2dcy s SER 130 Ca -0.09 -0.18 0.00 0.00 1.31 0.00 0.00 55.95 57.00 2dcy s SER 130 Cb -0.13 -1.78 0.02 0.00 0.21 0.00 0.00 66.02 64.34 2dcy s SER 130 CO 0.03 0.13 -0.11 -0.69 0.41 0.00 0.00 173.24 173.01 2dcy s VAL 131 N 0.60 1.26 0.64 3.43 1.01 0.39 -0.54 120.40 127.18 2dcy s VAL 131 Ca -0.02 -0.46 -0.18 0.00 0.00 0.00 0.00 61.98 61.31 2dcy s VAL 131 Cb -0.14 -1.21 -0.02 0.00 0.00 0.00 0.00 36.38 35.02 2dcy s VAL 131 CO 0.02 0.40 1.29 -0.60 0.00 0.00 0.00 175.10 176.22 2dcy s ARG 132 N 1.39 2.63 0.44 2.72 3.52 -0.35 -0.73 118.95 128.58 2dcy s ARG 132 Ca 0.00 2.05 0.27 0.00 -0.13 0.00 0.00 55.73 57.92 2dcy s ARG 132 Cb -0.13 -1.88 0.74 0.00 -1.56 0.00 0.00 34.95 32.12 2dcy s ARG 132 CO -0.06 -1.54 1.75 1.96 -0.81 0.00 0.00 175.30 176.60 2dcy h GLN 133 N 0.63 0.00 -3.64 5.12 4.20 -1.23 -3.44 115.11 116.76 2dcy h GLN 133 Ca -0.51 0.00 -0.16 0.00 0.06 0.00 0.00 58.65 58.04 2dcy h GLN 133 Cb 1.33 0.00 -0.21 0.00 0.30 0.00 0.00 27.48 28.90 2dcy h GLN 133 CO 0.54 0.00 -0.56 -1.54 -0.67 0.00 0.00 178.83 176.60 2dcy s SER 134 N -5.78 0.07 0.19 1.46 1.04 -1.26 -5.10 113.70 104.31 2dcy s SER 134 Ca 0.05 -0.24 -0.32 0.00 0.48 0.00 0.00 55.95 55.92 2dcy s SER 134 Cb 0.07 0.18 -0.12 0.00 0.10 0.00 0.00 66.02 66.25 2dcy s SER 134 CO 0.61 -0.31 1.72 0.29 0.98 0.00 0.00 173.24 176.52 2dcy n LYS 135 N 1.67 2.67 -2.30 4.02 5.02 -1.26 -4.91 118.16 123.07 2dcy n LYS 135 Ca -0.22 0.96 -0.41 0.00 -2.02 0.00 0.00 58.31 56.63 2dcy n LYS 135 Cb 0.56 -2.81 -0.03 0.00 -0.02 0.00 0.00 35.03 32.73 2dcy n LYS 135 CO 0.00 0.00 0.00 0.50 -0.52 0.00 0.00 177.40 177.38 2dcy s ARG 136 N 1.38 4.49 0.48 1.97 3.52 0.04 -4.98 118.95 125.84 2dcy s ARG 136 Ca 0.77 2.00 -0.23 0.00 -0.13 0.00 0.00 55.73 58.14 2dcy s ARG 136 Cb -0.53 -3.15 -0.08 0.00 -1.56 0.00 0.00 34.95 29.62 2dcy s ARG 136 CO 0.34 -0.03 1.16 -2.30 -0.81 0.00 0.00 175.30 173.66 2dcy n PRO 137 N 1.35 1.54 -4.31 5.12 -0.02 -1.26 -4.87 135.00 132.55 2dcy n PRO 137 Ca 0.01 0.56 -0.24 0.00 -2.02 0.00 0.00 63.50 61.80 2dcy n PRO 137 Cb 0.43 -2.28 -0.08 0.00 -0.02 0.00 0.00 33.50 31.55 2dcy n PRO 137 CO 0.00 0.00 0.00 0.95 1.98 0.00 0.00 175.50 178.43 2dcy s THR 138 N -1.29 2.79 0.00 3.45 -4.23 -1.26 -4.81 115.64 110.29 2dcy s THR 138 Ca 0.66 -1.96 0.00 0.00 -1.18 0.00 0.00 61.69 59.21 2dcy s THR 138 Cb -0.49 -2.79 0.00 0.00 1.34 0.00 0.00 72.50 70.56 2dcy s THR 138 CO 0.54 -0.24 0.00 0.61 -0.54 0.00 0.00 174.62 174.99 2dcy n GLY 139 N -0.94 0.63 3.64 3.99 0.00 -0.31 -5.00 105.19 107.19 2dcy n GLY 139 Ca -0.04 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.71 2dcy n GLY 139 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2dcy s SER 140 N -2.70 4.03 0.28 1.61 0.01 -1.26 -4.84 113.70 110.83 2dcy s SER 140 Ca 0.00 -1.24 -0.29 0.00 1.31 0.00 0.00 55.95 55.73 2dcy s SER 140 Cb 0.00 -0.43 -0.10 0.00 0.21 0.00 0.00 66.02 65.70 2dcy s SER 140 CO 0.00 -0.43 1.31 0.20 0.41 0.00 0.00 173.24 174.73 2dcy s ASN 141 N -3.75 6.83 0.06 2.44 0.01 -1.26 -4.49 114.94 114.77 2dcy s ASN 141 Ca 0.36 2.58 0.04 0.00 -0.71 0.00 0.00 52.86 55.13 2dcy s ASN 141 Cb 0.07 -2.63 -0.03 0.00 0.41 0.00 0.00 41.25 39.07 2dcy s ASN 141 CO 0.19 -0.53 -0.11 0.00 -1.51 0.00 0.00 177.10 175.14 2dcy s ALA 142 N -0.66 0.91 -0.02 0.60 0.00 0.40 -5.00 121.76 117.99 2dcy s ALA 142 Ca 0.52 -0.88 0.05 0.00 0.00 0.00 0.00 51.96 51.65 2dcy s ALA 142 Cb -0.39 -0.04 -0.01 0.00 0.00 0.00 0.00 23.12 22.68 2dcy s ALA 142 CO 0.47 0.09 -0.18 0.95 0.00 0.00 0.00 175.76 177.09 2dcy s THR 143 N -1.29 1.43 -0.27 0.00 -4.23 -1.26 -0.70 115.64 109.32 2dcy s THR 143 Ca -0.05 -0.77 0.01 0.00 -1.18 0.00 0.00 61.69 59.70 2dcy s THR 143 Cb -0.10 -1.19 0.05 0.00 1.34 0.00 0.00 72.50 72.61 2dcy s THR 143 CO 0.01 0.40 -0.07 -0.63 -0.54 0.00 0.00 174.62 173.79 2dcy s ILE 144 N -0.40 2.49 -1.04 2.99 1.01 0.61 -4.79 121.20 122.07 2dcy s ILE 144 Ca 0.06 -1.48 -0.19 0.00 0.00 0.00 0.00 60.65 59.05 2dcy s ILE 144 Cb -0.07 -2.42 0.11 0.00 0.01 0.00 0.00 42.46 40.09 2dcy s ILE 144 CO -0.01 -0.01 1.31 -0.89 0.00 0.00 0.00 174.94 175.35 2dcy s THR 145 N 1.18 4.55 0.48 2.92 2.01 -1.26 -1.25 115.64 124.26 2dcy s THR 145 Ca -0.06 -1.62 0.16 0.00 0.31 0.00 0.00 61.69 60.48 2dcy s THR 145 Cb -0.19 -4.91 0.31 0.00 0.01 0.00 0.00 72.50 67.72 2dcy s THR 145 CO -0.04 -1.67 2.05 0.15 -0.69 0.00 0.00 174.62 174.42 2dcy h PHE 146 N 8.62 0.20 -0.46 4.92 3.57 -1.82 -1.44 116.94 130.53 2dcy h PHE 146 Ca 0.22 0.01 0.02 0.00 3.53 0.00 0.00 57.97 61.75 2dcy h PHE 146 Cb 0.98 -0.07 -0.02 0.00 2.79 0.00 0.00 35.95 39.63 2dcy h PHE 146 CO 1.20 0.11 0.31 0.66 -2.23 0.00 0.00 178.31 178.36 2dcy h SER 147 N 0.20 0.47 -0.44 0.41 4.64 -1.73 -0.55 113.55 116.56 2dcy h SER 147 Ca 0.16 -0.01 -0.07 0.00 -0.47 0.00 0.00 61.79 61.40 2dcy h SER 147 Cb 0.37 -0.11 -0.02 0.00 -0.31 0.00 0.00 62.40 62.33 2dcy h SER 147 CO -0.03 0.33 0.05 0.78 -0.87 0.00 0.00 176.83 177.09 2dcy h ASN 148 N 0.55 0.77 -0.05 4.97 2.35 -1.58 -0.62 115.58 121.97 2dcy h ASN 148 Ca 0.18 -0.17 -0.01 0.00 -0.55 0.00 0.00 56.30 55.75 2dcy h ASN 148 Cb 0.05 -0.20 -0.00 0.00 0.05 0.00 0.00 38.32 38.22 2dcy h ASN 148 CO -0.04 0.81 -0.03 0.45 -1.65 0.00 0.00 177.43 176.97 2dcy h HIS 149 N 0.77 0.12 -0.49 1.19 3.86 -1.30 -1.94 115.15 117.36 2dcy h HIS 149 Ca 0.16 -0.03 0.06 0.00 -1.16 0.00 0.00 60.37 59.39 2dcy h HIS 149 Cb 0.40 -0.03 -0.05 0.00 1.06 0.00 0.00 27.41 28.79 2dcy h HIS 149 CO 0.02 0.50 0.20 0.28 0.86 0.00 0.00 177.93 179.79 2dcy h VAL 150 N -0.30 0.88 -0.54 2.45 2.07 -0.97 0.58 116.25 120.42 2dcy h VAL 150 Ca 0.01 -0.13 -0.07 0.00 0.82 0.00 0.00 66.70 67.33 2dcy h VAL 150 Cb 0.47 0.45 -0.02 0.00 -1.52 0.00 0.00 31.29 30.67 2dcy h VAL 150 CO 0.01 0.07 0.06 0.78 0.02 0.00 0.00 177.57 178.51 2dcy h ASN 151 N 0.39 0.88 -0.49 0.57 2.35 -1.13 -0.94 115.58 117.21 2dcy h ASN 151 Ca 0.23 -0.27 -0.04 0.00 -0.55 0.00 0.00 56.30 55.66 2dcy h ASN 151 Cb 0.20 -0.23 -0.02 0.00 0.05 0.00 0.00 38.32 38.32 2dcy h ASN 151 CO -0.21 0.93 0.15 0.00 -1.65 0.00 0.00 177.43 176.65 2dcy h ALA 152 N 0.98 0.64 -0.61 -0.83 0.00 -0.95 -1.86 119.26 116.63 2dcy h ALA 152 Ca 0.16 -0.19 0.03 0.00 0.00 0.00 0.00 54.91 54.92 2dcy h ALA 152 Cb 0.44 -0.19 -0.04 0.00 0.00 0.00 0.00 17.79 18.00 2dcy h ALA 152 CO 0.02 0.30 0.36 -1.49 0.00 0.00 0.00 179.25 178.44 2dcy h TRP 153 N 0.66 0.67 -0.62 0.00 6.55 -0.70 -1.90 115.95 120.60 2dcy h TRP 153 Ca 0.16 0.02 0.00 0.00 0.95 0.00 0.00 58.89 60.02 2dcy h TRP 153 Cb 0.28 -0.21 -0.03 0.00 -0.86 0.00 0.00 29.16 28.34 2dcy h TRP 153 CO 0.02 0.37 0.39 -0.22 -1.05 0.00 0.00 178.44 177.94 2dcy h LYS 154 N 0.70 0.83 0.00 0.49 3.64 -0.85 0.40 116.57 121.79 2dcy h LYS 154 Ca 0.25 -0.06 -0.01 0.00 -1.27 0.00 0.00 60.65 59.56 2dcy h LYS 154 Cb 0.06 -0.18 -0.00 0.00 -0.41 0.00 0.00 32.23 31.70 2dcy h LYS 154 CO -0.12 0.57 -0.04 0.66 -2.27 0.00 0.00 179.45 178.25 2dcy h SER 155 N 0.85 0.00 -0.59 4.20 4.64 -0.53 -1.07 113.55 121.05 2dcy h SER 155 Ca 0.23 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.55 2dcy h SER 155 Cb -0.06 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.03 2dcy h SER 155 CO -0.05 0.04 0.00 1.41 -0.87 0.00 0.00 176.83 177.36 2dcy n HIS 156 N -3.20 1.52 -1.33 4.77 8.25 -0.40 -4.93 115.22 119.89 2dcy n HIS 156 Ca -0.01 -0.65 -0.04 0.00 -0.26 0.00 0.00 57.72 56.76 2dcy n HIS 156 Cb 0.25 -0.30 -0.01 0.00 1.12 0.00 0.00 29.99 31.05 2dcy n HIS 156 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2dcy n GLY 157 N 0.85 0.57 3.28 -1.41 0.00 -0.41 -5.03 105.19 103.05 2dcy n GLY 157 Ca 0.25 -0.86 -0.43 0.00 0.00 0.00 0.00 46.02 44.98 2dcy n GLY 157 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 2dcy s MET 158 N -2.75 2.75 -0.19 1.61 -1.94 -0.01 -4.99 119.30 113.78 2dcy s MET 158 Ca 0.00 -1.64 -0.09 0.00 -1.71 0.00 0.00 55.69 52.25 2dcy s MET 158 Cb 0.00 -4.06 -0.05 0.00 2.01 0.00 0.00 34.83 32.73 2dcy s MET 158 CO 0.00 -1.18 0.11 -0.80 -0.01 0.00 0.00 175.02 173.14 2dcy s ASN 159 N 2.90 6.01 0.59 3.03 0.01 -1.26 -3.06 114.94 123.16 2dcy s ASN 159 Ca 0.04 0.18 -0.09 0.00 -0.71 0.00 0.00 52.86 52.28 2dcy s ASN 159 Cb -0.27 -2.05 -0.03 0.00 0.41 0.00 0.00 41.25 39.32 2dcy s ASN 159 CO 0.02 0.18 0.96 -0.76 -1.51 0.00 0.00 177.10 175.99 2dcy s LEU 160 N 0.37 3.29 0.87 0.60 1.43 -1.26 -4.90 118.68 119.08 2dcy s LEU 160 Ca 0.06 1.17 -0.12 0.00 -1.03 0.00 0.00 54.13 54.21 2dcy s LEU 160 Cb -0.11 -4.13 0.11 0.00 0.03 0.00 0.00 46.19 42.08 2dcy s LEU 160 CO -0.01 -0.88 1.11 -0.83 0.23 0.00 0.00 176.35 175.97 2dcy s GLY 161 N -4.20 1.60 0.01 -3.19 0.00 -1.25 -4.71 107.32 95.57 2dcy s GLY 161 Ca 0.53 -0.35 0.24 0.00 0.00 0.00 0.00 44.72 45.14 2dcy s GLY 161 CO 0.50 0.15 1.21 -1.14 0.00 0.00 0.00 173.10 173.83 2dcy n SER 162 N -3.66 0.67 -4.34 1.64 3.41 -0.87 -4.78 113.62 105.70 2dcy n SER 162 Ca 0.07 -0.47 -0.38 0.00 -0.26 0.00 0.00 58.87 57.82 2dcy n SER 162 Cb 0.58 0.54 -0.12 0.00 -0.26 0.00 0.00 64.21 64.95 2dcy n SER 162 CO 0.00 0.00 0.00 0.21 -0.16 0.00 0.00 175.04 175.09 2dcy s ASN 163 N -3.13 5.40 -0.23 4.04 3.04 -0.79 -5.00 114.94 118.27 2dcy s ASN 163 Ca 0.09 -0.93 -0.13 0.00 0.04 0.00 0.00 52.86 51.93 2dcy s ASN 163 Cb 0.17 -1.93 -0.04 0.00 -1.54 0.00 0.00 41.25 37.91 2dcy s ASN 163 CO 0.76 -0.30 0.30 0.26 -3.04 0.00 0.00 177.10 175.08 2dcy s TRP 164 N 1.49 3.32 0.00 0.43 0.52 -1.26 0.23 118.94 123.67 2dcy s TRP 164 Ca 0.01 0.41 0.00 0.00 0.02 0.00 0.00 56.10 56.54 2dcy s TRP 164 Cb -0.19 -2.43 0.00 0.00 -1.15 0.00 0.00 33.47 29.70 2dcy s TRP 164 CO 0.04 -0.03 0.00 0.00 0.02 0.00 0.00 176.95 176.98 2dcy n ALA 165 N 4.60 0.00 -1.28 0.98 0.00 -0.76 -4.50 120.51 119.55 2dcy n ALA 165 Ca -0.11 0.00 -0.29 0.00 0.00 0.00 0.00 53.44 53.04 2dcy n ALA 165 Cb 0.51 0.00 0.15 0.00 0.00 0.00 0.00 19.45 20.11 2dcy n ALA 165 CO 0.00 0.00 0.00 1.52 0.00 0.00 0.00 177.50 179.02 2dcy s TYR 166 N 1.10 2.32 -0.24 0.00 -0.85 -1.13 -0.45 117.35 118.10 2dcy s TYR 166 Ca 0.00 1.08 -0.05 0.00 -0.52 0.00 0.00 57.07 57.58 2dcy s TYR 166 Cb 0.00 -3.23 0.12 0.00 0.38 0.00 0.00 41.96 39.23 2dcy s TYR 166 CO 0.00 -2.52 0.45 -1.14 -1.52 0.00 0.00 175.55 170.82 2dcy s GLN 167 N -5.02 0.39 0.09 -3.49 0.74 -0.34 -3.04 119.66 108.99 2dcy s GLN 167 Ca 0.64 0.88 0.02 0.00 0.05 0.00 0.00 55.36 56.95 2dcy s GLN 167 Cb -0.17 0.11 -0.04 0.00 1.10 0.00 0.00 33.01 34.01 2dcy s GLN 167 CO 0.56 -0.44 -0.07 0.14 -0.55 0.00 0.00 175.29 174.93 2dcy s VAL 168 N 2.65 0.68 -0.40 1.34 -7.23 0.14 -0.77 120.40 116.82 2dcy s VAL 168 Ca 0.06 -1.89 -0.16 0.00 -1.81 0.00 0.00 61.98 58.19 2dcy s VAL 168 Cb -0.14 -1.62 0.01 0.00 0.56 0.00 0.00 36.38 35.19 2dcy s VAL 168 CO -0.16 -0.85 0.37 -0.32 -0.31 0.00 0.00 175.10 173.84 2dcy s MET 169 N -3.71 3.18 0.22 4.82 1.75 -0.26 -0.66 119.30 124.64 2dcy s MET 169 Ca 0.11 -0.75 0.10 0.00 -1.25 0.00 0.00 55.69 53.89 2dcy s MET 169 Cb 0.04 -3.93 -0.04 0.00 2.84 0.00 0.00 34.83 33.74 2dcy s MET 169 CO -0.05 -0.74 -0.12 0.00 -0.65 0.00 0.00 175.02 173.47 2dcy s ALA 170 N 1.97 2.88 -0.23 4.11 0.00 0.12 -3.14 121.76 127.48 2dcy s ALA 170 Ca 0.10 -1.63 -0.05 0.00 0.00 0.00 0.00 51.96 50.38 2dcy s ALA 170 Cb -0.17 -0.58 -0.02 0.00 0.00 0.00 0.00 23.12 22.35 2dcy s ALA 170 CO 0.12 0.37 0.01 0.99 0.00 0.00 0.00 175.76 177.25 2dcy s THR 171 N -2.01 3.83 0.06 0.00 2.01 0.79 -1.29 115.64 119.03 2dcy s THR 171 Ca 0.27 -0.34 0.09 0.00 0.31 0.00 0.00 61.69 62.02 2dcy s THR 171 Cb -0.07 -2.76 -0.03 0.00 0.01 0.00 0.00 72.50 69.65 2dcy s THR 171 CO 0.15 0.40 -0.25 -0.70 -0.69 0.00 0.00 174.62 173.52 2dcy s GLU 172 N 1.41 1.77 0.13 4.92 2.12 -0.36 -1.04 118.70 127.64 2dcy s GLU 172 Ca 0.05 -1.13 -0.03 0.00 0.36 0.00 0.00 54.97 54.22 2dcy s GLU 172 Cb -0.15 -1.99 -0.03 0.00 0.26 0.00 0.00 34.13 32.22 2dcy s GLU 172 CO 0.00 0.51 0.09 0.20 -0.54 0.00 0.00 175.26 175.52 2dcy s GLY 173 N -1.41 0.83 -0.07 -1.50 0.00 -0.90 -0.26 107.32 104.02 2dcy s GLY 173 Ca 0.13 -1.33 -0.03 0.00 0.00 0.00 0.00 44.72 43.49 2dcy s GLY 173 CO 0.03 -1.26 0.09 -0.47 0.00 0.00 0.00 173.10 171.50 2dcy s TYR 174 N -4.02 -0.00 -1.39 1.90 5.04 -0.80 -2.11 117.35 115.97 2dcy s TYR 174 Ca 0.21 0.31 -0.00 0.00 -2.44 0.00 0.00 57.07 55.14 2dcy s TYR 174 Cb 0.07 -0.44 -0.00 0.00 0.35 0.00 0.00 41.96 41.94 2dcy s TYR 174 CO 0.00 -0.25 0.46 1.04 -1.34 0.00 0.00 175.55 175.46 2dcy n GLN 175 N 5.31 -3.56 -3.84 4.97 6.02 -0.22 -4.30 117.38 121.76 2dcy n GLN 175 Ca -0.04 0.44 -0.16 0.00 -0.01 0.00 0.00 57.00 57.24 2dcy n GLN 175 Cb 0.50 -4.64 -0.06 0.00 1.02 0.00 0.00 30.24 27.07 2dcy n GLN 175 CO 0.00 0.00 0.00 -1.13 -1.01 0.00 0.00 177.06 174.92 2dcy n SER 176 N -3.00 -0.73 -4.32 1.08 3.41 -1.26 -4.67 113.62 104.13 2dcy n SER 176 Ca -0.31 -2.81 -0.17 0.00 -0.26 0.00 0.00 58.87 55.32 2dcy n SER 176 Cb 0.69 1.59 -0.10 0.00 -0.26 0.00 0.00 64.21 66.13 2dcy n SER 176 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 2dcy s SER 177 N -2.95 1.51 0.00 4.04 1.04 -1.05 -2.07 113.70 114.21 2dcy s SER 177 Ca 0.32 -1.30 0.00 0.00 0.48 0.00 0.00 55.95 55.45 2dcy s SER 177 Cb 0.01 0.08 0.00 0.00 0.10 0.00 0.00 66.02 66.21 2dcy s SER 177 CO 0.23 -0.63 0.00 0.61 0.98 0.00 0.00 173.24 174.43 2dcy n GLY 178 N -0.44 -1.01 3.13 7.32 0.00 -0.40 0.02 105.19 113.81 2dcy n GLY 178 Ca -0.03 -1.34 -0.10 0.00 0.00 0.00 0.00 46.02 44.55 2dcy n GLY 178 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2dcy s SER 179 N -3.99 0.09 0.06 1.61 1.04 -0.87 -1.04 113.70 110.60 2dcy s SER 179 Ca 0.00 -0.38 -0.11 0.00 0.48 0.00 0.00 55.95 55.94 2dcy s SER 179 Cb 0.00 0.24 0.01 0.00 0.10 0.00 0.00 66.02 66.37 2dcy s SER 179 CO 0.00 -0.48 0.24 -0.94 0.98 0.00 0.00 173.24 173.04 2dcy s SER 180 N -1.89 -0.01 -0.11 7.02 1.04 0.35 -0.69 113.70 119.40 2dcy s SER 180 Ca -0.08 -0.38 -0.04 0.00 0.48 0.00 0.00 55.95 55.92 2dcy s SER 180 Cb -0.03 0.33 0.06 0.00 0.10 0.00 0.00 66.02 66.48 2dcy s SER 180 CO -0.02 -0.64 0.24 0.21 0.98 0.00 0.00 173.24 174.00 2dcy s ASN 181 N -2.32 0.36 -0.02 7.02 3.84 -0.41 -1.22 114.94 122.18 2dcy s ASN 181 Ca -0.02 0.52 -0.01 0.00 0.21 0.00 0.00 52.86 53.56 2dcy s ASN 181 Cb 0.01 0.56 0.01 0.00 -0.55 0.00 0.00 41.25 41.28 2dcy s ASN 181 CO -0.06 -0.23 0.04 -0.69 -2.79 0.00 0.00 177.10 173.37 2dcy s VAL 182 N 2.23 -0.02 -0.11 -5.21 1.01 -0.32 -1.12 120.40 116.86 2dcy s VAL 182 Ca 0.00 0.07 0.02 0.00 0.00 0.00 0.00 61.98 62.06 2dcy s VAL 182 Cb -0.12 -0.08 -0.01 0.00 0.00 0.00 0.00 36.38 36.17 2dcy s VAL 182 CO -0.08 0.03 -0.17 -0.89 0.00 0.00 0.00 175.10 173.99 2dcy s THR 183 N 0.36 2.74 -0.03 3.92 2.01 -0.19 -0.74 115.64 123.71 2dcy s THR 183 Ca -0.03 -0.78 0.07 0.00 0.31 0.00 0.00 61.69 61.26 2dcy s THR 183 Cb -0.04 -2.11 -0.02 0.00 0.01 0.00 0.00 72.50 70.34 2dcy s THR 183 CO -0.01 0.54 -0.25 -0.69 -0.69 0.00 0.00 174.62 173.53 2dcy s VAL 184 N 0.19 2.15 0.00 3.82 1.01 0.17 -0.79 120.40 126.95 2dcy s VAL 184 Ca -0.10 -1.06 0.00 0.00 0.00 0.00 0.00 61.98 60.82 2dcy s VAL 184 Cb -0.16 -1.76 0.00 0.00 0.00 0.00 0.00 36.38 34.47 2dcy s VAL 184 CO 0.06 0.58 0.00 -2.67 0.00 0.00 0.00 175.10 173.07