#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ref s ILE 3 N 0.00 0.97 0.47 12.58 -4.36 -0.72 -5.00 121.20 125.15 1ref s ILE 3 Ca 0.00 -2.02 0.00 0.00 -0.26 0.00 0.00 60.65 58.37 1ref s ILE 3 Cb 0.00 -2.51 0.00 0.00 1.25 0.00 0.00 42.46 41.20 1ref s ILE 3 CO 0.00 -0.18 0.70 -1.10 0.24 0.00 0.00 174.94 174.60 1ref s GLN 4 N -3.90 2.98 0.23 0.37 -1.52 -1.26 -4.45 119.66 112.10 1ref s GLN 4 Ca 0.32 -0.50 -0.29 0.00 -1.95 0.00 0.00 55.36 52.94 1ref s GLN 4 Cb 0.07 -2.53 -0.15 0.00 -0.22 0.00 0.00 33.01 30.17 1ref s GLN 4 CO 0.11 -0.37 0.87 -0.35 -0.25 0.00 0.00 175.29 175.31 1ref n PRO 5 N -2.15 0.82 0.00 2.91 -0.04 -1.26 -4.93 135.00 130.35 1ref n PRO 5 Ca 0.03 0.29 0.00 0.00 -0.04 0.00 0.00 63.50 63.78 1ref n PRO 5 Cb 0.58 -1.56 0.00 0.00 -0.04 0.00 0.00 33.50 32.48 1ref n PRO 5 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1ref n GLY 6 N 1.61 -0.42 3.35 0.55 0.00 -0.11 -4.99 105.19 105.19 1ref n GLY 6 Ca 0.14 -1.14 -0.18 0.00 0.00 0.00 0.00 46.02 44.83 1ref n GLY 6 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1ref s THR 7 N -2.00 1.26 -5.00 2.61 -4.23 -1.26 -0.79 115.64 106.23 1ref s THR 7 Ca 0.00 -2.07 0.00 0.00 -1.18 0.00 0.00 61.69 58.44 1ref s THR 7 Cb 0.00 -2.32 0.00 0.00 1.34 0.00 0.00 72.50 71.52 1ref s THR 7 CO 0.00 -0.37 0.00 0.61 -0.54 0.00 0.00 174.62 174.32 1ref n GLY 8 N -0.45 -0.39 3.17 3.99 0.00 -0.90 -4.99 105.19 105.62 1ref n GLY 8 Ca -0.06 -1.16 -0.28 0.00 0.00 0.00 0.00 46.02 44.52 1ref n GLY 8 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1ref s TYR 9 N -3.03 2.04 -0.05 1.61 2.02 -1.26 -0.92 117.35 117.76 1ref s TYR 9 Ca 0.00 -0.67 -0.02 0.00 -0.37 0.00 0.00 57.07 56.01 1ref s TYR 9 Cb 0.00 -1.37 0.03 0.00 -0.40 0.00 0.00 41.96 40.22 1ref s TYR 9 CO 0.00 -0.24 0.04 1.21 -1.57 0.00 0.00 175.55 174.98 1ref s ASN 10 N 0.13 1.33 -1.41 2.29 3.84 0.94 -4.86 114.94 117.20 1ref s ASN 10 Ca -0.08 0.01 -0.04 0.00 0.21 0.00 0.00 52.86 52.95 1ref s ASN 10 Cb -0.14 -0.27 0.02 0.00 -0.55 0.00 0.00 41.25 40.31 1ref s ASN 10 CO 0.04 -0.23 0.36 0.59 -2.79 0.00 0.00 177.10 175.07 1ref n ASN 11 N 5.23 -4.98 0.00 -4.21 3.02 -1.26 -1.73 115.26 111.33 1ref n ASN 11 Ca -0.05 -0.17 0.00 0.00 -0.03 0.00 0.00 54.58 54.33 1ref n ASN 11 Cb 0.50 -4.10 0.00 0.00 -0.61 0.00 0.00 39.78 35.57 1ref n ASN 11 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1ref n GLY 12 N -1.20 2.24 3.67 7.41 0.00 -1.26 -4.58 105.19 111.46 1ref n GLY 12 Ca -0.11 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.63 1ref n GLY 12 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1ref s TYR 13 N -2.58 2.89 0.29 1.61 1.51 -0.71 -5.10 117.35 115.26 1ref s TYR 13 Ca 0.00 -0.10 -0.22 0.00 -1.01 0.00 0.00 57.07 55.74 1ref s TYR 13 Cb 0.00 -1.43 -0.09 0.00 -0.11 0.00 0.00 41.96 40.32 1ref s TYR 13 CO 0.00 0.50 0.83 0.12 -1.11 0.00 0.00 175.55 175.89 1ref s PHE 14 N -1.55 3.60 0.07 2.71 5.36 -0.84 -0.04 117.98 127.28 1ref s PHE 14 Ca 0.26 1.54 0.02 0.00 -0.96 0.00 0.00 56.93 57.79 1ref s PHE 14 Cb -0.10 -2.75 -0.03 0.00 -0.34 0.00 0.00 43.02 39.80 1ref s PHE 14 CO 0.18 0.21 -0.07 1.52 -1.46 0.00 0.00 175.22 175.61 1ref s TYR 15 N -1.68 0.74 -0.11 10.12 -0.85 -0.10 0.06 117.35 125.53 1ref s TYR 15 Ca 0.49 -0.74 -0.05 0.00 -0.52 0.00 0.00 57.07 56.25 1ref s TYR 15 Cb -0.16 -0.45 0.05 0.00 0.38 0.00 0.00 41.96 41.79 1ref s TYR 15 CO 0.21 -0.14 0.25 0.45 -1.52 0.00 0.00 175.55 174.79 1ref s SER 16 N -2.35 0.06 -0.07 -0.18 0.15 -0.90 -2.12 113.70 108.29 1ref s SER 16 Ca 0.01 0.54 0.02 0.00 0.70 0.00 0.00 55.95 57.22 1ref s SER 16 Cb -0.02 0.52 0.02 0.00 -1.71 0.00 0.00 66.02 64.83 1ref s SER 16 CO -0.03 -0.20 -0.11 -0.47 1.20 0.00 0.00 173.24 173.63 1ref s TYR 17 N 1.82 1.39 0.01 3.44 5.04 0.03 -2.11 117.35 126.97 1ref s TYR 17 Ca -0.04 -0.54 -0.03 0.00 -2.44 0.00 0.00 57.07 54.01 1ref s TYR 17 Cb -0.11 -1.06 -0.01 0.00 0.35 0.00 0.00 41.96 41.13 1ref s TYR 17 CO -0.08 -0.31 0.05 -0.46 -1.34 0.00 0.00 175.55 173.41 1ref s TRP 18 N 0.89 0.12 0.12 4.97 -0.00 0.30 -0.93 118.94 124.42 1ref s TRP 18 Ca -0.10 -0.27 -0.13 0.00 -0.00 0.00 0.00 56.10 55.60 1ref s TRP 18 Cb -0.15 -0.10 0.02 0.00 -0.00 0.00 0.00 33.47 33.23 1ref s TRP 18 CO 0.01 -0.21 0.32 0.54 -0.00 0.00 0.00 176.95 177.60 1ref s ASN 19 N -1.25 -0.07 0.00 5.86 2.20 -1.26 -0.72 114.94 119.71 1ref s ASN 19 Ca -0.14 -0.52 0.08 0.00 -0.94 0.00 0.00 52.86 51.34 1ref s ASN 19 Cb -0.08 0.43 0.49 0.00 -2.00 0.00 0.00 41.25 40.09 1ref s ASN 19 CO 0.00 -0.83 1.31 -0.90 -2.94 0.00 0.00 177.10 173.75 1ref n ASP 20 N -0.17 0.00 0.00 3.54 5.68 -0.23 -4.86 116.55 120.52 1ref n ASP 20 Ca -0.14 -1.74 0.00 0.00 -0.50 0.00 0.00 54.79 52.41 1ref n ASP 20 Cb 0.63 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.61 1ref n ASP 20 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1ref n GLY 21 N 0.63 3.18 3.77 6.12 0.00 -1.26 -5.00 105.19 112.62 1ref n GLY 21 Ca 0.06 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.71 1ref n GLY 21 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 1ref s HIS 22 N -2.91 2.81 0.17 1.61 5.04 -1.26 -5.04 115.29 115.71 1ref s HIS 22 Ca 0.00 1.51 -0.02 0.00 -1.54 0.00 0.00 55.06 55.01 1ref s HIS 22 Cb 0.00 -3.44 0.04 0.00 0.04 0.00 0.00 32.58 29.22 1ref s HIS 22 CO 0.00 -1.68 0.24 0.41 -2.34 0.00 0.00 174.74 171.37 1ref n GLY 23 N 0.49 -0.58 0.62 1.59 0.00 -1.26 -4.57 105.19 101.48 1ref n GLY 23 Ca 0.07 -1.77 0.00 0.00 0.00 0.00 0.00 46.02 44.32 1ref n GLY 23 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ref n GLY 24 N 3.39 0.85 3.10 -0.02 0.00 -1.26 -3.68 105.19 107.56 1ref n GLY 24 Ca 0.03 -0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.79 1ref n GLY 24 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1ref s VAL 25 N -2.00 1.35 -0.23 1.61 1.01 -1.26 -0.47 120.40 120.41 1ref s VAL 25 Ca 0.00 -0.65 0.01 0.00 0.00 0.00 0.00 61.98 61.34 1ref s VAL 25 Cb 0.00 -1.18 0.06 0.00 0.00 0.00 0.00 36.38 35.26 1ref s VAL 25 CO 0.00 0.40 -0.06 -0.89 0.00 0.00 0.00 175.10 174.54 1ref s THR 26 N 0.25 1.60 -0.16 3.92 2.01 0.18 -5.00 115.64 118.44 1ref s THR 26 Ca -0.08 -1.24 -0.06 0.00 0.31 0.00 0.00 61.69 60.61 1ref s THR 26 Cb -0.13 -1.84 -0.04 0.00 0.01 0.00 0.00 72.50 70.50 1ref s THR 26 CO 0.03 -0.07 0.05 -0.47 -0.69 0.00 0.00 174.62 173.47 1ref s TYR 27 N 1.36 3.24 -0.07 4.92 6.14 -1.26 -1.55 117.35 130.14 1ref s TYR 27 Ca -0.06 0.08 -0.00 0.00 0.64 0.00 0.00 57.07 57.73 1ref s TYR 27 Cb -0.19 -2.02 0.02 0.00 0.42 0.00 0.00 41.96 40.19 1ref s TYR 27 CO -0.06 0.21 -0.03 0.99 0.64 0.00 0.00 175.55 177.30 1ref s THR 28 N 0.13 0.55 -0.09 4.34 2.01 0.07 -1.76 115.64 120.90 1ref s THR 28 Ca 0.04 -0.04 -0.29 0.00 0.31 0.00 0.00 61.69 61.71 1ref s THR 28 Cb -0.12 -0.63 -0.02 0.00 0.01 0.00 0.00 72.50 71.74 1ref s THR 28 CO 0.01 0.26 1.00 0.20 -0.69 0.00 0.00 174.62 175.40 1ref s ASN 29 N 1.50 7.26 0.09 3.53 0.01 -1.26 -0.51 114.94 125.56 1ref s ASN 29 Ca -0.02 1.54 0.01 0.00 -0.71 0.00 0.00 52.86 53.69 1ref s ASN 29 Cb -0.13 -2.55 0.01 0.00 0.41 0.00 0.00 41.25 38.99 1ref s ASN 29 CO -0.03 -0.41 0.11 0.61 -1.51 0.00 0.00 177.10 175.86 1ref n GLY 30 N 3.07 2.25 3.77 0.66 0.00 0.85 -4.76 105.19 111.02 1ref n GLY 30 Ca 0.08 -2.16 -0.38 0.00 0.00 0.00 0.00 46.02 43.56 1ref n GLY 30 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1ref s PRO 31 N -2.39 3.94 7.73 1.61 0.04 -1.26 -4.48 135.00 140.19 1ref s PRO 31 Ca 0.08 1.83 0.00 0.00 0.04 0.00 0.00 61.00 62.95 1ref s PRO 31 Cb -0.01 -2.58 0.00 0.00 0.04 0.00 0.00 34.50 31.95 1ref s PRO 31 CO 0.05 -0.41 0.00 0.41 0.04 0.00 0.00 177.00 177.09 1ref n GLY 32 N 0.56 3.17 1.79 0.56 0.00 -1.26 -2.12 105.19 107.89 1ref n GLY 32 Ca 0.05 -0.18 -0.02 0.00 0.00 0.00 0.00 46.02 45.87 1ref n GLY 32 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ref n GLY 33 N 0.00 3.17 3.88 -0.02 0.00 -1.26 -4.66 105.19 106.29 1ref n GLY 33 Ca 0.00 -0.82 -0.35 0.00 0.00 0.00 0.00 46.02 44.85 1ref n GLY 33 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1ref s GLN 34 N -2.58 3.63 -0.01 1.61 0.74 -0.90 -0.50 119.66 121.66 1ref s GLN 34 Ca 0.47 -0.00 -0.09 0.00 0.05 0.00 0.00 55.36 55.78 1ref s GLN 34 Cb 0.37 -3.05 0.01 0.00 1.10 0.00 0.00 33.01 31.43 1ref s GLN 34 CO 0.12 0.62 0.18 -0.59 -0.55 0.00 0.00 175.29 175.07 1ref s PHE 35 N -1.33 -0.03 0.01 1.67 -0.71 -0.00 -0.11 117.98 117.48 1ref s PHE 35 Ca 0.29 0.01 0.06 0.00 -1.04 0.00 0.00 56.93 56.25 1ref s PHE 35 Cb -0.13 -0.00 -0.02 0.00 -1.21 0.00 0.00 43.02 41.65 1ref s PHE 35 CO 0.17 -0.30 -0.18 -1.12 -1.34 0.00 0.00 175.22 172.46 1ref s SER 36 N -1.26 2.08 -0.04 1.98 0.01 0.34 -1.43 113.70 115.38 1ref s SER 36 Ca -0.13 -0.39 0.01 0.00 1.31 0.00 0.00 55.95 56.74 1ref s SER 36 Cb -0.07 -0.20 0.02 0.00 0.21 0.00 0.00 66.02 65.98 1ref s SER 36 CO 0.02 0.17 -0.05 -0.69 0.41 0.00 0.00 173.24 173.10 1ref s VAL 37 N -0.59 0.51 -0.09 3.43 1.01 -0.27 -0.75 120.40 123.66 1ref s VAL 37 Ca 0.06 -0.14 -0.01 0.00 0.00 0.00 0.00 61.98 61.89 1ref s VAL 37 Cb -0.07 -0.52 0.03 0.00 0.00 0.00 0.00 36.38 35.81 1ref s VAL 37 CO 0.00 0.21 -0.03 0.20 0.00 0.00 0.00 175.10 175.48 1ref s ASN 38 N 0.71 1.80 0.04 3.32 0.01 -0.59 -0.46 114.94 119.77 1ref s ASN 38 Ca -0.09 -0.17 0.02 0.00 -0.71 0.00 0.00 52.86 51.90 1ref s ASN 38 Cb -0.12 -0.60 -0.02 0.00 0.41 0.00 0.00 41.25 40.91 1ref s ASN 38 CO 0.00 -0.16 -0.07 -1.66 -1.51 0.00 0.00 177.10 173.71 1ref s TRP 39 N 1.82 0.59 -0.15 2.20 -2.14 -0.34 -0.65 118.94 120.28 1ref s TRP 39 Ca 0.04 -0.54 -0.05 0.00 2.66 0.00 0.00 56.10 58.21 1ref s TRP 39 Cb -0.12 -0.36 0.07 0.00 -3.10 0.00 0.00 33.47 29.96 1ref s TRP 39 CO -0.06 -0.12 0.32 -1.54 -2.66 0.00 0.00 176.95 172.89 1ref s SER 40 N -1.66 0.14 -1.31 -2.66 1.04 0.39 -0.55 113.70 109.09 1ref s SER 40 Ca -0.10 0.73 -0.02 0.00 0.48 0.00 0.00 55.95 57.04 1ref s SER 40 Cb -0.09 0.91 -0.00 0.00 0.10 0.00 0.00 66.02 66.94 1ref s SER 40 CO -0.00 -0.24 0.64 0.59 0.98 0.00 0.00 173.24 175.22 1ref n ASN 41 N 5.34 -1.43 -2.01 7.02 3.02 -0.49 -4.50 115.26 122.21 1ref n ASN 41 Ca -0.07 -0.88 0.00 0.00 -0.03 0.00 0.00 54.58 53.60 1ref n ASN 41 Cb 0.50 -3.80 0.00 0.00 -0.61 0.00 0.00 39.78 35.87 1ref n ASN 41 CO 0.00 0.00 0.00 -1.54 -2.62 0.00 0.00 177.26 173.10 1ref n SER 42 N -3.01 0.00 0.00 6.41 3.41 -0.81 -4.60 113.62 115.01 1ref n SER 42 Ca -0.28 -0.94 0.00 0.00 -0.26 0.00 0.00 58.87 57.39 1ref n SER 42 Cb 0.67 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.62 1ref n SER 42 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1ref n GLY 43 N 5.00 2.60 3.55 5.00 0.00 -1.24 -3.73 105.19 116.37 1ref n GLY 43 Ca 0.00 -0.65 -0.35 0.00 0.00 0.00 0.00 46.02 45.03 1ref n GLY 43 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1ref s ASN 44 N 0.37 5.25 0.06 1.61 3.04 -1.26 -0.67 114.94 123.34 1ref s ASN 44 Ca 0.00 -0.04 -0.08 0.00 0.04 0.00 0.00 52.86 52.77 1ref s ASN 44 Cb 0.00 -1.89 -0.00 0.00 -1.54 0.00 0.00 41.25 37.82 1ref s ASN 44 CO 0.00 0.14 0.18 0.72 -3.04 0.00 0.00 177.10 175.09 1ref s PHE 45 N 0.58 0.13 -0.08 0.43 -0.12 -0.95 -1.06 117.98 116.92 1ref s PHE 45 Ca 0.01 -0.48 -0.03 0.00 -0.05 0.00 0.00 56.93 56.38 1ref s PHE 45 Cb -0.13 -0.07 0.04 0.00 -0.63 0.00 0.00 43.02 42.23 1ref s PHE 45 CO 0.02 -0.48 0.17 0.08 -0.05 0.00 0.00 175.22 174.95 1ref s VAL 46 N -3.27 -0.11 -0.09 -2.49 1.01 0.10 -1.98 120.40 113.57 1ref s VAL 46 Ca 0.00 0.22 -0.24 0.00 0.00 0.00 0.00 61.98 61.97 1ref s VAL 46 Cb 0.02 -0.28 0.05 0.00 0.00 0.00 0.00 36.38 36.18 1ref s VAL 46 CO -0.08 0.09 0.56 -0.83 0.00 0.00 0.00 175.10 174.84 1ref s GLY 47 N 1.48 -0.43 0.00 4.51 0.00 -0.98 -0.54 107.32 111.37 1ref s GLY 47 Ca -0.06 1.18 0.00 0.00 0.00 0.00 0.00 44.72 45.84 1ref s GLY 47 CO -0.06 0.90 0.00 0.61 0.00 0.00 0.00 173.10 174.54 1ref n GLY 48 N 1.57 -0.00 3.58 0.20 0.00 -0.90 -1.25 105.19 108.39 1ref n GLY 48 Ca -0.18 -1.02 -0.27 0.00 0.00 0.00 0.00 46.02 44.55 1ref n GLY 48 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ref s LYS 49 N -2.00 2.11 0.00 1.61 1.02 -1.21 -2.11 119.74 119.17 1ref s LYS 49 Ca 0.00 -1.22 0.00 0.00 0.02 0.00 0.00 55.97 54.77 1ref s LYS 49 Cb 0.00 -2.20 0.00 0.00 -0.52 0.00 0.00 37.83 35.11 1ref s LYS 49 CO 0.00 0.45 0.00 0.41 -0.92 0.00 0.00 175.35 175.29 1ref n GLY 50 N 0.10 -0.48 3.13 -3.33 0.00 0.11 -1.60 105.19 103.11 1ref n GLY 50 Ca -0.11 0.35 -0.13 0.00 0.00 0.00 0.00 46.02 46.13 1ref n GLY 50 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1ref s TRP 51 N 0.00 0.88 -0.23 1.61 0.51 0.50 -1.99 118.94 120.22 1ref s TRP 51 Ca 0.00 -0.64 -0.03 0.00 -2.12 0.00 0.00 56.10 53.31 1ref s TRP 51 Cb 0.00 -0.50 0.11 0.00 -0.81 0.00 0.00 33.47 32.27 1ref s TRP 51 CO 0.00 -0.06 0.26 -1.14 -0.51 0.00 0.00 176.95 175.50 1ref s GLN 52 N -2.45 0.24 0.73 4.98 2.00 -1.26 -0.70 119.66 123.21 1ref s GLN 52 Ca -0.00 0.16 -0.07 0.00 -2.00 0.00 0.00 55.36 53.45 1ref s GLN 52 Cb -0.04 -0.98 0.08 0.00 0.80 0.00 0.00 33.01 32.87 1ref s GLN 52 CO -0.01 -0.74 1.04 -1.25 -0.50 0.00 0.00 175.29 173.83 1ref s PRO 53 N 2.36 1.97 0.74 1.67 0.04 -1.26 -5.04 135.00 135.48 1ref s PRO 53 Ca 0.08 -0.38 -0.03 0.00 0.04 0.00 0.00 61.00 60.71 1ref s PRO 53 Cb -0.15 -2.16 0.13 0.00 0.04 0.00 0.00 34.50 32.36 1ref s PRO 53 CO -0.18 -1.38 1.03 0.20 0.04 0.00 0.00 177.00 176.70 1ref s GLY 54 N -4.58 1.76 0.14 0.56 0.00 -0.07 -4.84 107.32 100.29 1ref s GLY 54 Ca 0.62 -1.63 0.04 0.00 0.00 0.00 0.00 44.72 43.75 1ref s GLY 54 CO 0.45 -1.06 -0.10 -0.51 0.00 0.00 0.00 173.10 171.89 1ref s THR 55 N -3.22 1.13 -2.02 0.90 -4.23 -1.26 -4.80 115.64 102.13 1ref s THR 55 Ca 0.67 -2.04 0.09 0.00 -1.18 0.00 0.00 61.69 59.23 1ref s THR 55 Cb -0.05 -1.82 0.25 0.00 1.34 0.00 0.00 72.50 72.22 1ref s THR 55 CO 0.45 -0.75 1.23 0.29 -0.54 0.00 0.00 174.62 175.30 1ref n LYS 56 N -0.16 1.57 -0.48 3.99 5.02 -1.26 -3.90 118.16 122.95 1ref n LYS 56 Ca -0.11 -0.88 0.00 0.00 -2.02 0.00 0.00 58.31 55.30 1ref n LYS 56 Cb 0.60 -1.21 0.00 0.00 -0.02 0.00 0.00 35.03 34.40 1ref n LYS 56 CO 0.00 0.00 0.00 0.27 -0.52 0.00 0.00 177.40 177.15 1ref n ASN 57 N 0.20 0.00 -4.76 4.39 6.94 -1.26 -3.80 115.26 116.97 1ref n ASN 57 Ca 0.09 -1.83 -0.40 0.00 -0.02 0.00 0.00 54.58 52.42 1ref n ASN 57 Cb 0.21 -0.17 -0.04 0.00 -2.36 0.00 0.00 39.78 37.42 1ref n ASN 57 CO 0.00 0.00 0.00 -0.75 -1.03 0.00 0.00 177.26 175.48 1ref s LYS 58 N 0.00 4.65 -0.38 -3.83 2.20 -1.25 -4.71 119.74 116.41 1ref s LYS 58 Ca 0.00 1.79 -0.12 0.00 -0.36 0.00 0.00 55.97 57.28 1ref s LYS 58 Cb 0.00 -3.20 0.03 0.00 -1.51 0.00 0.00 37.83 33.15 1ref s LYS 58 CO 0.00 0.22 0.23 0.08 -0.36 0.00 0.00 175.35 175.52 1ref s VAL 59 N -1.12 4.73 -0.20 4.02 1.01 -1.26 -1.88 120.40 125.70 1ref s VAL 59 Ca 0.44 -0.83 -0.12 0.00 0.00 0.00 0.00 61.98 61.48 1ref s VAL 59 Cb -0.32 -3.65 -0.05 0.00 0.00 0.00 0.00 36.38 32.37 1ref s VAL 59 CO 0.40 -0.26 0.20 -0.63 0.00 0.00 0.00 175.10 174.81 1ref s ILE 60 N 1.58 5.35 -0.08 2.22 1.01 -0.28 -4.90 121.20 126.11 1ref s ILE 60 Ca 0.03 0.32 -0.02 0.00 0.00 0.00 0.00 60.65 60.98 1ref s ILE 60 Cb -0.19 -3.54 -0.03 0.00 0.01 0.00 0.00 42.46 38.70 1ref s ILE 60 CO 0.07 0.39 0.01 0.20 0.00 0.00 0.00 174.94 175.61 1ref s ASN 61 N 0.63 5.28 0.01 3.58 0.01 -0.35 -0.39 114.94 123.72 1ref s ASN 61 Ca 0.11 0.15 -0.11 0.00 -0.71 0.00 0.00 52.86 52.30 1ref s ASN 61 Cb -0.12 -1.49 0.01 0.00 0.41 0.00 0.00 41.25 40.06 1ref s ASN 61 CO 0.02 0.37 0.22 0.72 -1.51 0.00 0.00 177.10 176.91 1ref s PHE 62 N -0.91 -0.03 -0.02 2.20 -0.71 -0.59 -1.31 117.98 116.61 1ref s PHE 62 Ca 0.14 -0.05 -0.29 0.00 -1.04 0.00 0.00 56.93 55.69 1ref s PHE 62 Cb -0.11 0.01 0.08 0.00 -1.21 0.00 0.00 43.02 41.78 1ref s PHE 62 CO 0.03 -0.37 0.72 -1.54 -1.34 0.00 0.00 175.22 172.72 1ref s SER 63 N -1.62 -0.59 0.00 1.98 1.04 -0.80 -1.27 113.70 112.45 1ref s SER 63 Ca -0.11 0.50 0.00 0.00 0.48 0.00 0.00 55.95 56.82 1ref s SER 63 Cb -0.05 0.51 0.00 0.00 0.10 0.00 0.00 66.02 66.59 1ref s SER 63 CO 0.01 -0.64 0.00 0.61 0.98 0.00 0.00 173.24 174.19 1ref n GLY 64 N 0.58 0.34 3.60 7.32 0.00 -1.23 -0.43 105.19 115.37 1ref n GLY 64 Ca -0.17 -1.61 -0.34 0.00 0.00 0.00 0.00 46.02 43.90 1ref n GLY 64 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1ref s SER 65 N -4.00 4.95 -0.23 1.61 1.04 -0.36 -4.75 113.70 111.97 1ref s SER 65 Ca 0.00 0.01 -0.02 0.00 0.48 0.00 0.00 55.95 56.42 1ref s SER 65 Cb 0.00 -1.50 0.07 0.00 0.10 0.00 0.00 66.02 64.69 1ref s SER 65 CO 0.00 0.30 0.04 -0.47 0.98 0.00 0.00 173.24 174.09 1ref s TYR 66 N -0.43 1.30 -0.59 5.02 5.04 -1.26 -0.94 117.35 125.48 1ref s TYR 66 Ca 0.07 -1.14 0.05 0.00 -2.44 0.00 0.00 57.07 53.60 1ref s TYR 66 Cb -0.12 -1.23 0.17 0.00 0.35 0.00 0.00 41.96 41.13 1ref s TYR 66 CO 0.02 -0.69 0.43 -0.80 -1.34 0.00 0.00 175.55 173.17 1ref s ASN 67 N 1.76 3.61 0.52 4.32 -0.87 -0.12 -5.03 114.94 119.14 1ref s ASN 67 Ca 0.01 -3.54 -0.18 0.00 -1.57 0.00 0.00 52.86 47.58 1ref s ASN 67 Cb -0.17 -1.20 -0.07 0.00 -0.02 0.00 0.00 41.25 39.79 1ref s ASN 67 CO -0.12 -0.12 1.02 -2.16 -2.57 0.00 0.00 177.10 173.15 1ref s PRO 68 N -0.87 3.72 -0.46 -0.60 0.04 -1.26 -1.83 135.00 133.74 1ref s PRO 68 Ca 0.27 1.18 0.07 0.00 0.04 0.00 0.00 61.00 62.57 1ref s PRO 68 Cb -0.02 -2.09 0.25 0.00 0.04 0.00 0.00 34.50 32.67 1ref s PRO 68 CO -0.17 -0.48 0.57 -1.71 0.04 0.00 0.00 177.00 175.25 1ref n ASN 69 N -1.44 1.10 0.00 6.66 5.15 0.20 -4.91 115.26 122.02 1ref n ASN 69 Ca 0.08 -2.88 0.00 0.00 -0.60 0.00 0.00 54.58 51.18 1ref n ASN 69 Cb 0.53 -0.65 0.00 0.00 -0.53 0.00 0.00 39.78 39.14 1ref n ASN 69 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1ref n GLY 70 N 1.32 0.51 3.62 8.20 0.00 -1.26 -2.13 105.19 115.45 1ref n GLY 70 Ca 0.24 -1.75 -0.43 0.00 0.00 0.00 0.00 46.02 44.08 1ref n GLY 70 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1ref s ASN 71 N -4.00 6.69 -0.02 1.61 3.04 -1.26 -1.52 114.94 119.48 1ref s ASN 71 Ca 0.00 1.00 -0.29 0.00 0.04 0.00 0.00 52.86 53.62 1ref s ASN 71 Cb 0.00 -2.54 0.09 0.00 -1.54 0.00 0.00 41.25 37.26 1ref s ASN 71 CO 0.00 -1.10 0.77 -0.55 -3.04 0.00 0.00 177.10 173.18 1ref s SER 72 N 2.58 -0.52 0.13 -4.21 0.15 -1.26 -1.48 113.70 109.09 1ref s SER 72 Ca 0.53 0.36 0.05 0.00 0.70 0.00 0.00 55.95 57.59 1ref s SER 72 Cb -0.14 0.47 -0.04 0.00 -1.71 0.00 0.00 66.02 64.61 1ref s SER 72 CO 0.24 -0.64 -0.12 -0.31 1.20 0.00 0.00 173.24 173.61 1ref s TYR 73 N -2.09 1.30 -0.16 3.44 2.02 0.19 -0.30 117.35 121.75 1ref s TYR 73 Ca -0.03 -0.64 -0.01 0.00 -0.37 0.00 0.00 57.07 56.02 1ref s TYR 73 Cb -0.00 -0.68 0.04 0.00 -0.40 0.00 0.00 41.96 40.92 1ref s TYR 73 CO -0.00 0.11 -0.04 -1.17 -1.57 0.00 0.00 175.55 172.88 1ref s LEU 74 N -2.71 1.49 0.21 -1.29 2.96 0.96 -1.37 118.68 118.92 1ref s LEU 74 Ca 0.11 -0.65 -0.23 0.00 -0.22 0.00 0.00 54.13 53.15 1ref s LEU 74 Cb -0.02 -0.84 0.05 0.00 0.50 0.00 0.00 46.19 45.88 1ref s LEU 74 CO 0.02 -0.20 0.72 -0.94 -1.32 0.00 0.00 176.35 174.62 1ref s SER 75 N 1.69 -0.36 -0.29 3.68 1.04 -0.39 -0.77 113.70 118.31 1ref s SER 75 Ca 0.01 -0.36 -0.27 0.00 0.48 0.00 0.00 55.95 55.80 1ref s SER 75 Cb -0.15 0.64 0.01 0.00 0.10 0.00 0.00 66.02 66.62 1ref s SER 75 CO -0.07 -1.14 0.99 -0.69 0.98 0.00 0.00 173.24 173.31 1ref s VAL 76 N -3.75 4.63 0.07 5.02 1.01 -0.48 -0.34 120.40 126.56 1ref s VAL 76 Ca 0.08 1.68 0.06 0.00 0.00 0.00 0.00 61.98 63.80 1ref s VAL 76 Cb -0.04 -4.31 -0.03 0.00 0.00 0.00 0.00 36.38 32.00 1ref s VAL 76 CO -0.01 -0.33 -0.17 -0.47 0.00 0.00 0.00 175.10 174.12 1ref s TYR 77 N 3.34 1.51 0.02 5.22 5.04 0.39 -1.03 117.35 131.84 1ref s TYR 77 Ca 0.42 -0.40 -0.15 0.00 -2.44 0.00 0.00 57.07 54.49 1ref s TYR 77 Cb -0.13 -0.86 0.05 0.00 0.35 0.00 0.00 41.96 41.36 1ref s TYR 77 CO 0.12 0.10 0.71 0.41 -1.34 0.00 0.00 175.55 175.55 1ref n GLY 78 N 1.52 0.53 3.25 8.97 0.00 -1.04 -0.89 105.19 117.54 1ref n GLY 78 Ca -0.19 -0.99 -0.14 0.00 0.00 0.00 0.00 46.02 44.70 1ref n GLY 78 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1ref s TRP 79 N -2.82 1.27 0.05 1.61 0.52 -1.05 -1.36 118.94 117.15 1ref s TRP 79 Ca 0.16 -0.84 0.02 0.00 0.02 0.00 0.00 56.10 55.46 1ref s TRP 79 Cb -0.01 -0.68 -0.03 0.00 -1.15 0.00 0.00 33.47 31.60 1ref s TRP 79 CO 0.01 -0.00 -0.07 0.45 0.02 0.00 0.00 176.95 177.35 1ref s SER 80 N -3.18 0.87 0.04 2.95 0.15 -0.17 -1.10 113.70 113.25 1ref s SER 80 Ca 0.19 -0.63 0.08 0.00 0.70 0.00 0.00 55.95 56.29 1ref s SER 80 Cb 0.04 0.05 -0.03 0.00 -1.71 0.00 0.00 66.02 64.37 1ref s SER 80 CO 0.02 -0.26 -0.23 -0.13 1.20 0.00 0.00 173.24 173.84 1ref s ARG 81 N -1.99 1.57 -0.72 5.44 0.52 0.58 -1.78 118.95 122.57 1ref s ARG 81 Ca -0.06 -0.99 -0.06 0.00 -0.52 0.00 0.00 55.73 54.09 1ref s ARG 81 Cb -0.07 -1.69 0.01 0.00 0.52 0.00 0.00 34.95 33.71 1ref s ARG 81 CO -0.01 0.44 0.64 0.09 0.02 0.00 0.00 175.30 176.48 1ref n ASN 82 N 1.87 -6.23 -4.86 0.23 3.02 -1.26 -0.54 115.26 107.48 1ref n ASN 82 Ca -0.17 -0.43 -0.31 0.00 -0.03 0.00 0.00 54.58 53.64 1ref n ASN 82 Cb 0.53 -3.28 -0.03 0.00 -0.61 0.00 0.00 39.78 36.39 1ref n ASN 82 CO 0.00 0.00 0.00 -2.16 -2.62 0.00 0.00 177.26 172.48 1ref s PRO 83 N -3.78 3.82 -0.35 3.52 0.04 -1.26 -3.84 135.00 133.15 1ref s PRO 83 Ca 0.07 0.73 -0.29 0.00 0.04 0.00 0.00 61.00 61.55 1ref s PRO 83 Cb -0.01 -2.22 0.01 0.00 0.04 0.00 0.00 34.50 32.31 1ref s PRO 83 CO 0.83 -0.24 1.34 -1.17 0.04 0.00 0.00 177.00 177.81 1ref s LEU 84 N -4.20 3.75 -0.01 -3.56 2.96 -1.26 -4.43 118.68 111.94 1ref s LEU 84 Ca 0.55 1.02 0.02 0.00 -0.22 0.00 0.00 54.13 55.50 1ref s LEU 84 Cb -0.10 -3.54 -0.00 0.00 0.50 0.00 0.00 46.19 43.04 1ref s LEU 84 CO 0.35 -1.24 -0.07 -0.63 -1.32 0.00 0.00 176.35 173.45 1ref s ILE 85 N 4.83 0.52 -0.24 6.68 -1.09 -0.73 -3.71 121.20 127.45 1ref s ILE 85 Ca 0.58 -0.28 -0.03 0.00 -2.23 0.00 0.00 60.65 58.70 1ref s ILE 85 Cb -0.15 -0.44 0.01 0.00 -1.58 0.00 0.00 42.46 40.31 1ref s ILE 85 CO 0.28 0.15 -0.05 -0.70 -1.23 0.00 0.00 174.94 173.38 1ref s GLU 86 N -0.15 3.04 0.16 2.79 2.12 -0.98 -1.00 118.70 124.67 1ref s GLU 86 Ca 0.02 -0.85 0.09 0.00 0.36 0.00 0.00 54.97 54.59 1ref s GLU 86 Cb -0.03 -3.01 -0.04 0.00 0.26 0.00 0.00 34.13 31.31 1ref s GLU 86 CO -0.00 -0.33 -0.11 1.52 -0.54 0.00 0.00 175.26 175.79 1ref s TYR 87 N 1.39 2.63 -0.03 5.30 -0.85 -0.47 -1.72 117.35 123.61 1ref s TYR 87 Ca 0.02 -0.22 0.01 0.00 -0.52 0.00 0.00 57.07 56.37 1ref s TYR 87 Cb -0.16 -1.32 0.01 0.00 0.38 0.00 0.00 41.96 40.87 1ref s TYR 87 CO -0.04 0.48 -0.04 0.71 -1.52 0.00 0.00 175.55 175.14 1ref s TYR 88 N -1.52 0.58 -0.57 -3.49 1.51 0.18 -2.49 117.35 111.55 1ref s TYR 88 Ca 0.23 -0.12 0.04 0.00 -1.01 0.00 0.00 57.07 56.21 1ref s TYR 88 Cb -0.09 -0.49 0.15 0.00 -0.11 0.00 0.00 41.96 41.42 1ref s TYR 88 CO 0.14 -0.11 0.37 0.42 -1.11 0.00 0.00 175.55 175.26 1ref s ILE 89 N 0.53 2.19 -0.23 2.71 1.01 -0.20 -1.04 121.20 126.17 1ref s ILE 89 Ca -0.06 -3.50 -0.29 0.00 0.00 0.00 0.00 60.65 56.79 1ref s ILE 89 Cb -0.10 -2.48 -0.02 0.00 0.01 0.00 0.00 42.46 39.88 1ref s ILE 89 CO -0.00 -0.97 1.46 -0.69 0.00 0.00 0.00 174.94 174.74 1ref s VAL 90 N -0.63 3.92 -0.11 2.92 1.01 0.57 -1.39 120.40 126.69 1ref s VAL 90 Ca 0.23 1.05 0.16 0.00 0.00 0.00 0.00 61.98 63.42 1ref s VAL 90 Cb -0.12 -3.89 -0.21 0.00 0.00 0.00 0.00 36.38 32.16 1ref s VAL 90 CO -0.10 -0.33 0.57 -0.62 0.00 0.00 0.00 175.10 174.63 1ref n GLU 91 N 7.38 0.64 -3.52 2.72 -0.58 0.05 -1.07 120.64 126.27 1ref n GLU 91 Ca 0.17 0.17 -0.17 0.00 -0.42 0.00 0.00 57.16 56.90 1ref n GLU 91 Cb 0.46 -1.72 -0.06 0.00 -0.57 0.00 0.00 31.44 29.55 1ref n GLU 91 CO 0.00 0.00 0.00 1.21 -0.48 0.00 0.00 177.13 177.86 1ref s ASN 92 N -5.74 -0.64 0.24 1.62 3.84 -0.95 -2.11 114.94 111.20 1ref s ASN 92 Ca -0.05 0.68 -0.12 0.00 0.21 0.00 0.00 52.86 53.57 1ref s ASN 92 Cb 0.08 0.52 -0.01 0.00 -0.55 0.00 0.00 41.25 41.30 1ref s ASN 92 CO 0.83 -0.60 0.45 0.72 -2.79 0.00 0.00 177.10 175.70 1ref s PHE 93 N -1.25 0.40 0.00 0.43 -0.12 -1.26 -0.03 117.98 116.15 1ref s PHE 93 Ca -0.10 -0.75 0.00 0.00 -0.05 0.00 0.00 56.93 56.03 1ref s PHE 93 Cb -0.00 0.14 0.00 0.00 -0.63 0.00 0.00 43.02 42.52 1ref s PHE 93 CO 0.09 -0.96 0.00 0.41 -0.05 0.00 0.00 175.22 174.71 1ref n GLY 94 N -0.37 0.69 0.09 1.99 0.00 0.59 -4.93 105.19 103.26 1ref n GLY 94 Ca -0.02 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.13 1ref n GLY 94 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1ref n THR 95 N 0.00 0.48 -4.11 2.61 -2.24 -0.57 -4.80 114.28 105.66 1ref n THR 95 Ca 0.00 -0.28 -0.33 0.00 -2.27 0.00 0.00 64.05 61.17 1ref n THR 95 Cb 0.00 -0.36 -0.16 0.00 -2.10 0.00 0.00 70.33 67.71 1ref n THR 95 CO 0.00 0.00 0.00 -0.47 -0.57 0.00 0.00 175.07 174.03 1ref s TYR 96 N -3.13 2.80 -0.21 4.78 5.04 -1.26 -4.98 117.35 120.39 1ref s TYR 96 Ca 0.08 -1.55 -0.29 0.00 -2.44 0.00 0.00 57.07 52.87 1ref s TYR 96 Cb 0.13 -1.94 -0.01 0.00 0.35 0.00 0.00 41.96 40.49 1ref s TYR 96 CO 0.66 -0.77 1.23 1.21 -1.34 0.00 0.00 175.55 176.54 1ref s ASN 97 N 1.30 6.91 0.65 4.32 3.84 -1.26 -4.79 114.94 125.91 1ref s ASN 97 Ca 0.05 1.52 0.38 0.00 0.21 0.00 0.00 52.86 55.02 1ref s ASN 97 Cb -0.13 -2.54 2.08 0.00 -0.55 0.00 0.00 41.25 40.11 1ref s ASN 97 CO -0.12 -0.82 2.21 1.55 -2.79 0.00 0.00 177.10 177.14 1ref h PRO 98 N 8.32 0.00 -0.17 0.43 0.13 -1.98 -2.21 132.00 136.52 1ref h PRO 98 Ca -0.25 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.88 1ref h PRO 98 Cb 1.09 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.22 1ref h PRO 98 CO 0.99 0.00 0.00 -1.13 -0.23 0.00 0.00 178.00 177.63 1ref n SER 99 N -3.20 1.23 -4.68 1.44 3.41 -1.26 -4.87 113.62 105.69 1ref n SER 99 Ca -0.02 -1.76 -0.43 0.00 -0.26 0.00 0.00 58.87 56.40 1ref n SER 99 Cb 0.19 -0.11 -0.03 0.00 -0.26 0.00 0.00 64.21 64.00 1ref n SER 99 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 175.04 175.29 1ref n THR 100 N 0.08 0.48 0.00 6.66 -1.04 -0.83 -1.75 114.28 117.87 1ref n THR 100 Ca 0.13 -0.09 0.00 0.00 -2.04 0.00 0.00 64.05 62.05 1ref n THR 100 Cb 0.23 -2.14 0.00 0.00 -1.82 0.00 0.00 70.33 66.61 1ref n THR 100 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1ref n GLY 101 N 4.30 2.90 3.83 3.41 0.00 -1.26 -5.01 105.19 113.36 1ref n GLY 101 Ca 0.19 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.91 1ref n GLY 101 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ref s ALA 102 N -2.34 2.57 -0.18 4.61 0.00 -0.72 -5.03 121.76 120.67 1ref s ALA 102 Ca 0.00 -0.15 -0.19 0.00 0.00 0.00 0.00 51.96 51.62 1ref s ALA 102 Cb 0.00 -3.11 -0.03 0.00 0.00 0.00 0.00 23.12 19.98 1ref s ALA 102 CO 0.00 -1.39 0.54 0.95 0.00 0.00 0.00 175.76 175.87 1ref s THR 103 N -3.17 5.10 -0.17 0.00 -4.23 -1.26 -5.00 115.64 106.91 1ref s THR 103 Ca 0.59 1.02 -0.29 0.00 -1.18 0.00 0.00 61.69 61.83 1ref s THR 103 Cb -0.13 -3.87 -0.00 0.00 1.34 0.00 0.00 72.50 69.84 1ref s THR 103 CO 0.54 0.18 1.06 -0.75 -0.54 0.00 0.00 174.62 175.12 1ref s LYS 104 N 1.54 4.31 -0.15 3.99 2.20 -1.26 -3.11 119.74 127.26 1ref s LYS 104 Ca 0.26 1.42 0.10 0.00 -0.36 0.00 0.00 55.97 57.39 1ref s LYS 104 Cb -0.16 -3.62 -0.23 0.00 -1.51 0.00 0.00 37.83 32.32 1ref s LYS 104 CO 0.10 -0.53 0.25 1.28 -0.36 0.00 0.00 175.35 176.09 1ref n LEU 105 N 5.87 1.17 0.00 5.43 4.77 0.53 -4.99 117.00 129.78 1ref n LEU 105 Ca 0.11 0.14 0.00 0.00 -0.03 0.00 0.00 56.01 56.23 1ref n LEU 105 Cb 0.47 -0.08 0.00 0.00 -2.33 0.00 0.00 43.42 41.47 1ref n LEU 105 CO 0.53 0.59 0.00 0.61 -1.33 0.00 0.00 177.39 177.79 1ref n GLY 106 N 1.81 -0.75 2.99 -0.72 0.00 -1.23 -5.00 105.19 102.30 1ref n GLY 106 Ca -0.30 -0.72 -0.10 0.00 0.00 0.00 0.00 46.02 44.91 1ref n GLY 106 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1ref s GLU 107 N -0.27 0.30 -0.06 1.61 2.02 -1.26 -0.65 118.70 120.39 1ref s GLU 107 Ca 0.00 -0.51 -0.04 0.00 0.02 0.00 0.00 54.97 54.43 1ref s GLU 107 Cb 0.00 0.11 0.02 0.00 0.10 0.00 0.00 34.13 34.37 1ref s GLU 107 CO 0.00 -0.05 0.15 0.54 0.02 0.00 0.00 175.26 175.92 1ref s VAL 108 N -1.29 -0.02 -0.25 2.63 0.11 -0.53 -4.97 120.40 116.08 1ref s VAL 108 Ca -0.14 0.07 -0.12 0.00 -2.93 0.00 0.00 61.98 58.86 1ref s VAL 108 Cb -0.09 -0.23 -0.05 0.00 -1.53 0.00 0.00 36.38 34.49 1ref s VAL 108 CO -0.01 0.03 0.22 -0.89 -3.33 0.00 0.00 175.10 171.12 1ref s THR 109 N 0.50 5.31 -0.16 5.04 2.01 -1.26 0.01 115.64 127.07 1ref s THR 109 Ca -0.03 0.28 -0.17 0.00 0.31 0.00 0.00 61.69 62.08 1ref s THR 109 Cb -0.05 -3.56 0.05 0.00 0.01 0.00 0.00 72.50 68.95 1ref s THR 109 CO -0.02 0.29 0.47 -0.55 -0.69 0.00 0.00 174.62 174.12 1ref s SER 110 N 1.29 -0.48 -1.48 3.53 0.15 -0.20 -4.96 113.70 111.55 1ref s SER 110 Ca 0.10 0.89 -0.07 0.00 0.70 0.00 0.00 55.95 57.57 1ref s SER 110 Cb -0.15 0.91 0.05 0.00 -1.71 0.00 0.00 66.02 65.13 1ref s SER 110 CO 0.07 -0.20 0.68 0.47 1.20 0.00 0.00 173.24 175.46 1ref n ASP 111 N 2.66 -2.11 0.00 5.45 8.00 -1.26 -2.35 116.55 126.94 1ref n ASP 111 Ca -0.14 -0.92 0.00 0.00 0.71 0.00 0.00 54.79 54.44 1ref n ASP 111 Cb 0.57 -3.37 0.00 0.00 -0.02 0.00 0.00 41.12 38.29 1ref n ASP 111 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1ref n GLY 112 N -1.72 0.57 3.44 0.44 0.00 -1.26 -4.99 105.19 101.68 1ref n GLY 112 Ca -0.15 -0.07 -0.15 0.00 0.00 0.00 0.00 46.02 45.65 1ref n GLY 112 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1ref s SER 113 N -2.06 -0.54 0.28 1.61 0.15 -0.99 -4.99 113.70 107.16 1ref s SER 113 Ca 0.00 0.31 -0.21 0.00 0.70 0.00 0.00 55.95 56.74 1ref s SER 113 Cb 0.00 0.53 -0.09 0.00 -1.71 0.00 0.00 66.02 64.75 1ref s SER 113 CO 0.00 -0.75 0.81 -0.69 1.20 0.00 0.00 173.24 173.82 1ref s VAL 114 N -2.37 4.45 0.02 4.45 1.01 -1.26 -1.03 120.40 125.67 1ref s VAL 114 Ca -0.06 1.45 0.07 0.00 0.00 0.00 0.00 61.98 63.44 1ref s VAL 114 Cb -0.01 -3.87 -0.02 0.00 0.00 0.00 0.00 36.38 32.48 1ref s VAL 114 CO -0.01 0.11 -0.20 -0.31 0.00 0.00 0.00 175.10 174.69 1ref s TYR 115 N -1.64 1.79 -0.18 5.22 1.51 0.10 -1.73 117.35 122.42 1ref s TYR 115 Ca 0.48 -0.36 -0.09 0.00 -1.01 0.00 0.00 57.07 56.09 1ref s TYR 115 Cb -0.16 -1.10 -0.05 0.00 -0.11 0.00 0.00 41.96 40.55 1ref s TYR 115 CO 0.21 0.05 0.12 -0.51 -1.11 0.00 0.00 175.55 174.31 1ref s ASP 116 N -0.94 6.12 -0.13 2.29 1.01 -0.70 -1.45 116.67 122.87 1ref s ASP 116 Ca 0.07 0.25 -0.12 0.00 0.71 0.00 0.00 52.55 53.47 1ref s ASP 116 Cb -0.08 -2.05 -0.05 0.00 1.01 0.00 0.00 42.92 41.75 1ref s ASP 116 CO 0.01 0.23 0.25 -0.63 0.21 0.00 0.00 175.17 175.25 1ref s ILE 117 N 0.03 5.32 0.08 0.77 1.01 0.18 -1.54 121.20 127.04 1ref s ILE 117 Ca 0.09 0.47 -0.01 0.00 0.00 0.00 0.00 60.65 61.19 1ref s ILE 117 Cb -0.11 -3.57 -0.04 0.00 0.01 0.00 0.00 42.46 38.75 1ref s ILE 117 CO -0.00 0.48 0.00 -0.31 0.00 0.00 0.00 174.94 175.11 1ref s TYR 118 N -0.17 0.64 -0.05 3.97 1.51 -0.76 -0.35 117.35 122.15 1ref s TYR 118 Ca 0.16 -1.13 -0.03 0.00 -1.01 0.00 0.00 57.07 55.07 1ref s TYR 118 Cb -0.13 -0.42 0.02 0.00 -0.11 0.00 0.00 41.96 41.32 1ref s TYR 118 CO 0.05 -0.43 0.11 0.50 -1.11 0.00 0.00 175.55 174.66 1ref s ARG 119 N -3.97 0.08 0.19 -0.62 3.52 -1.18 -1.16 118.95 115.82 1ref s ARG 119 Ca 0.13 0.24 0.00 0.00 -0.13 0.00 0.00 55.73 55.97 1ref s ARG 119 Cb 0.08 -0.08 -0.04 0.00 -1.56 0.00 0.00 34.95 33.34 1ref s ARG 119 CO -0.06 -0.10 0.07 0.95 -0.81 0.00 0.00 175.30 175.36 1ref s THR 120 N 0.65 0.31 0.00 4.11 -4.23 -0.85 -3.98 115.64 111.65 1ref s THR 120 Ca -0.05 -1.97 0.05 0.00 -1.18 0.00 0.00 61.69 58.54 1ref s THR 120 Cb -0.07 -2.33 -0.01 0.00 1.34 0.00 0.00 72.50 71.43 1ref s THR 120 CO -0.03 -0.23 -0.16 -1.58 -0.54 0.00 0.00 174.62 172.09 1ref s GLN 121 N -4.05 1.20 -0.20 3.99 0.74 -1.26 -0.31 119.66 119.77 1ref s GLN 121 Ca 0.31 -0.62 -0.01 0.00 0.05 0.00 0.00 55.36 55.09 1ref s GLN 121 Cb 0.07 -1.19 0.01 0.00 1.10 0.00 0.00 33.01 33.01 1ref s GLN 121 CO 0.08 0.32 -0.13 1.03 -0.55 0.00 0.00 175.29 176.04 1ref s ARG 122 N -0.57 3.07 -0.22 1.67 0.52 -0.04 -4.97 118.95 118.41 1ref s ARG 122 Ca 0.05 -0.80 -0.11 0.00 -0.52 0.00 0.00 55.73 54.36 1ref s ARG 122 Cb -0.07 -2.77 -0.05 0.00 0.52 0.00 0.00 34.95 32.58 1ref s ARG 122 CO -0.00 -0.24 0.17 0.08 0.02 0.00 0.00 175.30 175.33 1ref s VAL 123 N 1.35 5.37 -1.42 3.52 1.01 -1.26 -1.71 120.40 127.25 1ref s VAL 123 Ca 0.04 0.23 -0.05 0.00 0.00 0.00 0.00 61.98 62.20 1ref s VAL 123 Cb -0.14 -3.51 0.04 0.00 0.00 0.00 0.00 36.38 32.77 1ref s VAL 123 CO -0.09 0.38 0.73 0.59 0.00 0.00 0.00 175.10 176.71 1ref n ASN 124 N 3.99 -2.22 -4.72 3.32 3.02 -0.94 -4.94 115.26 112.77 1ref n ASN 124 Ca -0.15 -0.86 -0.23 0.00 -0.03 0.00 0.00 54.58 53.32 1ref n ASN 124 Cb 0.52 -3.72 -0.06 0.00 -0.61 0.00 0.00 39.78 35.91 1ref n ASN 124 CO 0.00 0.00 0.00 -1.10 -2.62 0.00 0.00 177.26 173.54 1ref s GLN 125 N -6.35 2.45 0.42 3.52 -1.52 0.25 -4.67 119.66 113.76 1ref s GLN 125 Ca 0.25 -1.41 -0.26 0.00 -1.95 0.00 0.00 55.36 51.98 1ref s GLN 125 Cb -0.13 -2.25 -0.09 0.00 -0.22 0.00 0.00 33.01 30.32 1ref s GLN 125 CO 0.84 0.24 1.42 -2.14 -0.25 0.00 0.00 175.29 175.41 1ref s PRO 126 N -3.79 3.89 0.29 2.91 0.02 -1.26 -0.98 135.00 136.07 1ref s PRO 126 Ca 0.35 2.42 -0.04 0.00 0.02 0.00 0.00 61.00 63.75 1ref s PRO 126 Cb -0.05 -2.79 0.02 0.00 0.02 0.00 0.00 34.50 31.70 1ref s PRO 126 CO 0.22 -0.65 0.45 -1.13 -0.33 0.00 0.00 177.00 175.56 1ref n SER 127 N 0.10 -1.27 0.15 2.53 3.41 -0.90 -4.86 113.62 112.78 1ref n SER 127 Ca 0.03 -2.47 0.12 0.00 -0.26 0.00 0.00 58.87 56.29 1ref n SER 127 Cb 0.41 2.29 0.54 0.00 -0.26 0.00 0.00 64.21 67.19 1ref n SER 127 CO 0.00 0.00 0.00 0.16 -0.16 0.00 0.00 175.04 175.04 1ref h ILE 128 N 1.81 0.00 -0.24 -1.33 3.07 -1.99 -2.28 117.51 116.56 1ref h ILE 128 Ca -0.23 -0.20 0.00 0.00 1.55 0.00 0.00 64.86 65.98 1ref h ILE 128 Cb 0.97 0.90 0.00 0.00 -0.27 0.00 0.00 36.82 38.42 1ref h ILE 128 CO 0.31 0.00 0.00 2.30 -1.05 0.00 0.00 178.15 179.71 1ref n ILE 129 N -2.32 1.29 0.00 0.16 -5.35 -1.26 -5.10 119.36 106.79 1ref n ILE 129 Ca 0.01 -1.24 0.00 0.00 -0.27 0.00 0.00 62.75 61.25 1ref n ILE 129 Cb 0.19 0.32 0.00 0.00 -1.74 0.00 0.00 39.64 38.41 1ref n ILE 129 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1ref n GLY 130 N -0.01 -1.70 3.65 3.28 0.00 -0.86 -4.91 105.19 104.63 1ref n GLY 130 Ca 0.11 -2.05 -0.42 0.00 0.00 0.00 0.00 46.02 43.66 1ref n GLY 130 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1ref s THR 131 N 0.00 3.10 0.38 2.61 2.01 -1.26 -2.12 115.64 120.35 1ref s THR 131 Ca 0.00 0.11 -0.10 0.00 0.31 0.00 0.00 61.69 62.01 1ref s THR 131 Cb 0.00 -3.08 0.04 0.00 0.01 0.00 0.00 72.50 69.46 1ref s THR 131 CO 0.00 -0.02 0.68 0.00 -0.69 0.00 0.00 174.62 174.59 1ref s ALA 132 N 5.08 -0.12 -0.11 7.40 0.00 -0.15 -4.87 121.76 128.98 1ref s ALA 132 Ca 0.88 -1.08 0.00 0.00 0.00 0.00 0.00 51.96 51.77 1ref s ALA 132 Cb -0.40 0.85 -0.02 0.00 0.00 0.00 0.00 23.12 23.56 1ref s ALA 132 CO 0.39 -0.91 -0.12 0.99 0.00 0.00 0.00 175.76 176.11 1ref s THR 133 N -2.49 3.16 0.20 0.00 2.01 -1.26 -0.58 115.64 116.68 1ref s THR 133 Ca 0.21 -0.64 -0.20 0.00 0.31 0.00 0.00 61.69 61.38 1ref s THR 133 Cb -0.03 -2.31 0.04 0.00 0.01 0.00 0.00 72.50 70.20 1ref s THR 133 CO 0.15 0.54 0.57 0.72 -0.69 0.00 0.00 174.62 175.91 1ref s PHE 134 N 0.07 -0.25 0.16 4.92 -0.71 -0.69 -4.94 117.98 116.53 1ref s PHE 134 Ca -0.05 -0.07 -0.02 0.00 -1.04 0.00 0.00 56.93 55.75 1ref s PHE 134 Cb -0.14 0.48 -0.05 0.00 -1.21 0.00 0.00 43.02 42.10 1ref s PHE 134 CO 0.04 -0.94 0.35 0.71 -1.34 0.00 0.00 175.22 174.04 1ref s TYR 135 N -3.84 3.49 -0.12 3.49 2.02 -1.24 -0.86 117.35 120.28 1ref s TYR 135 Ca 0.07 0.40 0.01 0.00 -0.37 0.00 0.00 57.07 57.17 1ref s TYR 135 Cb -0.02 -1.89 -0.02 0.00 -0.40 0.00 0.00 41.96 39.64 1ref s TYR 135 CO -0.04 0.44 -0.14 -0.65 -1.57 0.00 0.00 175.55 173.59 1ref s GLN 136 N -2.95 3.24 -0.11 -0.62 -0.21 0.58 -2.32 119.66 117.27 1ref s GLN 136 Ca 0.39 -0.70 -0.04 0.00 0.02 0.00 0.00 55.36 55.03 1ref s GLN 136 Cb -0.12 -2.58 -0.04 0.00 1.00 0.00 0.00 33.01 31.28 1ref s GLN 136 CO 0.27 0.27 0.06 0.71 -2.12 0.00 0.00 175.29 174.48 1ref s TYR 137 N 0.19 3.33 0.02 0.91 2.02 -0.70 -2.00 117.35 121.11 1ref s TYR 137 Ca -0.08 0.30 0.04 0.00 -0.37 0.00 0.00 57.07 56.96 1ref s TYR 137 Cb -0.15 -1.87 -0.02 0.00 -0.40 0.00 0.00 41.96 39.52 1ref s TYR 137 CO 0.05 0.53 -0.13 -1.58 -1.57 0.00 0.00 175.55 172.85 1ref s TRP 138 N -0.81 1.14 -0.30 2.71 0.52 -0.31 -0.65 118.94 121.26 1ref s TRP 138 Ca 0.13 -0.30 -0.04 0.00 0.02 0.00 0.00 56.10 55.92 1ref s TRP 138 Cb -0.12 -0.70 0.10 0.00 -1.15 0.00 0.00 33.47 31.61 1ref s TRP 138 CO 0.03 0.01 0.14 -1.12 0.02 0.00 0.00 176.95 176.03 1ref s SER 139 N -0.80 3.46 -0.31 2.95 0.01 -0.20 -1.83 113.70 116.99 1ref s SER 139 Ca 0.02 -1.37 -0.13 0.00 1.31 0.00 0.00 55.95 55.78 1ref s SER 139 Cb -0.07 -0.34 -0.03 0.00 0.21 0.00 0.00 66.02 65.79 1ref s SER 139 CO 0.01 -0.43 0.26 -0.69 0.41 0.00 0.00 173.24 172.80 1ref s VAL 140 N 2.00 5.26 0.09 3.43 1.01 -0.59 -0.32 120.40 131.28 1ref s VAL 140 Ca 0.10 0.09 -0.31 0.00 0.00 0.00 0.00 61.98 61.86 1ref s VAL 140 Cb -0.17 -3.66 -0.07 0.00 0.00 0.00 0.00 36.38 32.48 1ref s VAL 140 CO -0.33 0.10 1.32 -0.60 0.00 0.00 0.00 175.10 175.58 1ref s ARG 141 N 1.84 4.36 0.07 2.72 3.52 -0.23 -1.72 118.95 129.51 1ref s ARG 141 Ca 0.09 1.96 -0.16 0.00 -0.13 0.00 0.00 55.73 57.48 1ref s ARG 141 Cb -0.16 -3.30 -0.15 0.00 -1.56 0.00 0.00 34.95 29.78 1ref s ARG 141 CO 0.11 -0.38 1.29 0.00 -0.81 0.00 0.00 175.30 175.52 1ref h ARG 142 N 6.84 0.61 -4.42 5.12 3.08 -1.67 -3.39 114.38 120.54 1ref h ARG 142 Ca -0.42 -0.45 -0.73 0.00 0.07 0.00 0.00 59.98 58.45 1ref h ARG 142 Cb 1.21 0.08 -0.22 0.00 0.08 0.00 0.00 29.97 31.12 1ref h ARG 142 CO 0.85 1.07 0.20 -0.80 -1.07 0.00 0.00 179.97 180.22 1ref s ASN 143 N -6.71 6.44 0.53 7.04 0.01 -1.26 -5.04 114.94 115.95 1ref s ASN 143 Ca -0.12 -1.97 -0.22 0.00 -0.71 0.00 0.00 52.86 49.84 1ref s ASN 143 Cb 0.07 -2.28 -0.06 0.00 0.41 0.00 0.00 41.25 39.39 1ref s ASN 143 CO 0.84 -0.91 1.26 1.41 -1.51 0.00 0.00 177.10 178.18 1ref n HIS 144 N 5.54 1.95 -3.51 2.20 8.25 -1.26 -5.00 115.22 123.39 1ref n HIS 144 Ca 0.03 0.45 -0.14 0.00 -0.26 0.00 0.00 57.72 57.80 1ref n HIS 144 Cb 0.45 -2.32 -0.04 0.00 1.12 0.00 0.00 29.99 29.19 1ref n HIS 144 CO 0.00 0.00 0.00 -0.98 0.64 0.00 0.00 176.34 176.00 1ref s ARG 145 N -2.71 1.12 0.00 -0.41 1.70 -0.90 -5.02 118.95 112.73 1ref s ARG 145 Ca 0.70 -0.20 0.08 0.00 -0.47 0.00 0.00 55.73 55.83 1ref s ARG 145 Cb -0.44 0.52 0.14 0.00 -0.57 0.00 0.00 34.95 34.60 1ref s ARG 145 CO 0.50 -0.42 0.97 0.43 -1.08 0.00 0.00 175.30 175.70 1ref n SER 146 N 0.26 2.16 -3.73 -2.89 7.64 -1.26 -4.19 113.62 111.60 1ref n SER 146 Ca -0.18 -1.67 -0.13 0.00 1.01 0.00 0.00 58.87 57.90 1ref n SER 146 Cb 0.61 -0.08 -0.10 0.00 -1.01 0.00 0.00 64.21 63.63 1ref n SER 146 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 1ref s SER 147 N -0.83 -0.38 0.00 6.43 0.01 -1.26 -3.57 113.70 114.10 1ref s SER 147 Ca 0.13 0.65 0.00 0.00 1.31 0.00 0.00 55.95 58.03 1ref s SER 147 Cb 0.07 0.70 0.00 0.00 0.21 0.00 0.00 66.02 67.00 1ref s SER 147 CO 0.10 -0.22 0.00 0.61 0.41 0.00 0.00 173.24 174.14 1ref n GLY 148 N 2.45 -0.89 3.18 3.44 0.00 -0.39 -4.99 105.19 107.98 1ref n GLY 148 Ca -0.15 -1.29 -0.25 0.00 0.00 0.00 0.00 46.02 44.32 1ref n GLY 148 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1ref s SER 149 N -4.00 2.15 -0.20 1.61 0.01 -1.26 -1.54 113.70 110.47 1ref s SER 149 Ca 0.00 -0.33 0.01 0.00 1.31 0.00 0.00 55.95 56.94 1ref s SER 149 Cb 0.00 -0.28 0.04 0.00 0.21 0.00 0.00 66.02 65.99 1ref s SER 149 CO 0.00 0.22 -0.12 -0.69 0.41 0.00 0.00 173.24 173.05 1ref s VAL 150 N -0.38 1.82 -0.78 3.43 1.01 0.48 -4.85 120.40 121.13 1ref s VAL 150 Ca 0.06 -1.10 -0.23 0.00 0.00 0.00 0.00 61.98 60.72 1ref s VAL 150 Cb -0.08 -1.84 0.07 0.00 0.00 0.00 0.00 36.38 34.54 1ref s VAL 150 CO -0.00 0.21 1.11 0.21 0.00 0.00 0.00 175.10 176.63 1ref s ASN 151 N 1.32 6.31 0.57 3.32 2.47 -1.26 -1.12 114.94 126.55 1ref s ASN 151 Ca -0.01 -1.19 0.26 0.00 0.42 0.00 0.00 52.86 52.34 1ref s ASN 151 Cb -0.16 -2.46 1.55 0.00 -1.45 0.00 0.00 41.25 38.73 1ref s ASN 151 CO -0.09 -1.44 2.08 0.71 -3.72 0.00 0.00 177.10 174.65 1ref h THR 152 N 6.06 0.59 -1.00 -5.21 1.35 -1.69 -2.68 112.91 110.33 1ref h THR 152 Ca -0.13 0.00 0.02 0.00 -0.55 0.00 0.00 66.41 65.75 1ref h THR 152 Cb 1.05 0.83 -0.05 0.00 -1.73 0.00 0.00 68.15 68.25 1ref h THR 152 CO 1.21 0.00 0.66 0.00 -0.25 0.00 0.00 175.52 177.15 1ref h ALA 153 N 1.79 1.29 -0.68 6.62 0.00 -1.77 -1.12 119.26 125.38 1ref h ALA 153 Ca 0.11 -0.06 -0.00 0.00 0.00 0.00 0.00 54.91 54.95 1ref h ALA 153 Cb 0.55 -0.40 -0.03 0.00 0.00 0.00 0.00 17.79 17.91 1ref h ALA 153 CO -0.00 0.64 0.41 -0.91 0.00 0.00 0.00 179.25 179.39 1ref h ASN 154 N 1.34 0.80 -0.01 0.00 2.35 -1.81 -0.67 115.58 117.58 1ref h ASN 154 Ca 0.38 -0.04 -0.11 0.00 -0.55 0.00 0.00 56.30 55.97 1ref h ASN 154 Cb -0.12 -0.20 0.01 0.00 0.05 0.00 0.00 38.32 38.05 1ref h ASN 154 CO -0.09 0.62 -0.42 0.45 -1.65 0.00 0.00 177.43 176.34 1ref h HIS 155 N 0.93 0.45 -0.77 1.19 3.86 -1.55 -2.49 115.15 116.77 1ref h HIS 155 Ca 0.24 -0.24 -0.02 0.00 -1.16 0.00 0.00 60.37 59.20 1ref h HIS 155 Cb -0.04 -0.06 -0.04 0.00 1.06 0.00 0.00 27.41 28.34 1ref h HIS 155 CO 0.00 1.04 0.42 0.74 0.86 0.00 0.00 177.93 180.98 1ref h PHE 156 N -0.26 1.06 -0.36 2.45 0.04 -1.03 -0.67 116.94 118.17 1ref h PHE 156 Ca -0.05 -0.02 -0.17 0.00 2.80 0.00 0.00 57.97 60.53 1ref h PHE 156 Cb 1.14 -0.34 -0.00 0.00 2.20 0.00 0.00 35.95 38.95 1ref h PHE 156 CO 0.16 0.74 -0.43 -0.91 -0.60 0.00 0.00 178.31 177.26 1ref h ASN 157 N 1.08 1.00 -0.61 2.17 2.35 -1.19 -0.85 115.58 119.52 1ref h ASN 157 Ca 0.27 -0.48 -0.01 0.00 -0.55 0.00 0.00 56.30 55.53 1ref h ASN 157 Cb 0.04 -0.28 -0.03 0.00 0.05 0.00 0.00 38.32 38.10 1ref h ASN 157 CO -0.04 1.28 0.33 0.00 -1.65 0.00 0.00 177.43 177.34 1ref h ALA 158 N 0.76 0.78 -0.55 -0.83 0.00 -1.02 -1.50 119.26 116.90 1ref h ALA 158 Ca 0.05 -0.11 -0.07 0.00 0.00 0.00 0.00 54.91 54.78 1ref h ALA 158 Cb 1.03 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 18.56 1ref h ALA 158 CO 0.10 0.31 0.06 -1.49 0.00 0.00 0.00 179.25 178.24 1ref h TRP 159 N 0.83 1.00 -0.67 0.00 6.55 -1.02 -2.66 115.95 119.98 1ref h TRP 159 Ca 0.21 -0.15 0.04 0.00 0.95 0.00 0.00 58.89 59.94 1ref h TRP 159 Cb 0.06 -0.27 -0.04 0.00 -0.86 0.00 0.00 29.16 28.05 1ref h TRP 159 CO -0.01 0.89 0.44 0.00 -1.05 0.00 0.00 178.44 178.71 1ref h ALA 160 N 0.98 1.65 0.00 1.49 0.00 -0.70 0.95 119.26 123.63 1ref h ALA 160 Ca 0.16 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.04 1ref h ALA 160 Cb 0.45 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 18.02 1ref h ALA 160 CO 0.02 0.28 0.00 1.96 0.00 0.00 0.00 179.25 181.51 1ref h GLN 161 N 0.78 0.00 -0.68 0.00 7.50 -0.93 -2.22 115.11 119.56 1ref h GLN 161 Ca 0.27 0.00 0.00 0.00 0.50 0.00 0.00 58.65 59.42 1ref h GLN 161 Cb 0.10 0.00 0.00 0.00 0.05 0.00 0.00 27.48 27.63 1ref h GLN 161 CO -0.08 0.00 0.00 1.04 -1.50 0.00 0.00 178.83 178.29 1ref n GLN 162 N -2.95 2.73 -0.63 1.46 1.13 0.10 -4.92 117.38 114.30 1ref n GLN 162 Ca 0.00 -2.59 0.00 0.00 -1.94 0.00 0.00 57.00 52.47 1ref n GLN 162 Cb 0.26 -1.54 0.00 0.00 0.11 0.00 0.00 30.24 29.07 1ref n GLN 162 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1ref n GLY 163 N 1.55 0.79 3.50 1.08 0.00 -0.83 -4.99 105.19 106.28 1ref n GLY 163 Ca 0.23 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.82 1ref n GLY 163 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1ref s LEU 164 N 0.00 4.42 0.46 0.99 1.02 0.10 -4.96 118.68 120.71 1ref s LEU 164 Ca 0.00 -1.85 -0.04 0.00 0.02 0.00 0.00 54.13 52.26 1ref s LEU 164 Cb 0.00 -2.47 -0.03 0.00 0.02 0.00 0.00 46.19 43.71 1ref s LEU 164 CO 0.00 -1.23 0.74 0.28 0.02 0.00 0.00 176.35 176.16 1ref s THR 165 N 3.57 4.87 0.03 5.49 -1.32 -1.26 -3.05 115.64 123.97 1ref s THR 165 Ca 0.39 0.04 0.04 0.00 -1.21 0.00 0.00 61.69 60.95 1ref s THR 165 Cb -0.03 -3.84 -0.02 0.00 -1.51 0.00 0.00 72.50 67.11 1ref s THR 165 CO -0.09 -0.76 -0.13 -0.76 -2.21 0.00 0.00 174.62 170.67 1ref s LEU 166 N -4.66 2.14 0.00 9.08 1.43 -1.26 -4.86 118.68 120.55 1ref s LEU 166 Ca 0.46 -0.41 0.00 0.00 -1.03 0.00 0.00 54.13 53.15 1ref s LEU 166 Cb -0.10 -0.57 0.00 0.00 0.03 0.00 0.00 46.19 45.55 1ref s LEU 166 CO 0.43 0.04 0.00 0.61 0.23 0.00 0.00 176.35 177.66 1ref n GLY 167 N 2.07 0.51 3.60 -3.19 0.00 -1.25 -4.86 105.19 102.06 1ref n GLY 167 Ca -0.17 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.43 1ref n GLY 167 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1ref s THR 168 N 1.86 4.75 0.08 2.61 2.01 0.29 -4.86 115.64 122.39 1ref s THR 168 Ca 0.00 1.04 -0.31 0.00 0.31 0.00 0.00 61.69 62.73 1ref s THR 168 Cb 0.00 -4.19 -0.07 0.00 0.01 0.00 0.00 72.50 68.25 1ref s THR 168 CO 0.00 -0.35 1.42 -0.04 -0.69 0.00 0.00 174.62 174.95 1ref s MET 169 N 3.05 4.30 0.00 4.92 1.00 -1.26 -0.31 119.30 131.00 1ref s MET 169 Ca 0.32 2.07 0.00 0.00 0.00 0.00 0.00 55.69 58.08 1ref s MET 169 Cb -0.14 -3.36 0.00 0.00 0.00 0.00 0.00 34.83 31.33 1ref s MET 169 CO 0.15 -0.50 0.00 -3.47 0.00 0.00 0.00 175.02 171.20 1ref n ASP 170 N 4.47 0.00 -4.74 3.03 2.03 -0.26 -4.38 116.55 116.70 1ref n ASP 170 Ca 0.12 0.00 -0.33 0.00 0.52 0.00 0.00 54.79 55.10 1ref n ASP 170 Cb 0.42 0.00 0.08 0.00 -0.72 0.00 0.00 41.12 40.91 1ref n ASP 170 CO 0.00 0.00 0.00 -0.72 -1.92 0.00 0.00 177.20 174.56 1ref s TYR 171 N 4.12 2.26 -0.21 -0.67 -0.85 -1.26 -0.89 117.35 119.85 1ref s TYR 171 Ca 0.00 1.60 -0.04 0.00 -0.52 0.00 0.00 57.07 58.11 1ref s TYR 171 Cb 0.00 -3.32 0.08 0.00 0.38 0.00 0.00 41.96 39.10 1ref s TYR 171 CO 0.00 -2.23 0.17 -1.14 -1.52 0.00 0.00 175.55 170.82 1ref s GLN 172 N -4.11 0.15 0.26 -3.49 0.74 0.13 -2.53 119.66 110.81 1ref s GLN 172 Ca 0.70 -0.02 0.02 0.00 0.05 0.00 0.00 55.36 56.11 1ref s GLN 172 Cb -0.25 -1.40 -0.05 0.00 1.10 0.00 0.00 33.01 32.41 1ref s GLN 172 CO 0.46 -0.73 0.06 0.96 -0.55 0.00 0.00 175.29 175.48 1ref s ILE 173 N 2.23 0.85 -0.42 -2.34 -4.36 -0.07 -0.37 121.20 116.72 1ref s ILE 173 Ca 0.05 -2.01 -0.15 0.00 -0.26 0.00 0.00 60.65 58.29 1ref s ILE 173 Cb -0.16 -2.58 0.03 0.00 1.25 0.00 0.00 42.46 41.00 1ref s ILE 173 CO -0.16 -0.11 0.32 -0.69 0.24 0.00 0.00 174.94 174.55 1ref s VAL 174 N -3.55 5.24 0.16 8.37 1.01 -0.63 -0.46 120.40 130.54 1ref s VAL 174 Ca 0.34 -0.75 0.09 0.00 0.00 0.00 0.00 61.98 61.66 1ref s VAL 174 Cb 0.07 -3.96 -0.04 0.00 0.00 0.00 0.00 36.38 32.45 1ref s VAL 174 CO 0.12 -0.37 -0.14 0.00 0.00 0.00 0.00 175.10 174.72 1ref s ALA 175 N 1.67 2.83 -0.22 5.51 0.00 0.54 -3.28 121.76 128.80 1ref s ALA 175 Ca 0.05 -1.44 -0.04 0.00 0.00 0.00 0.00 51.96 50.53 1ref s ALA 175 Cb -0.20 -0.68 -0.01 0.00 0.00 0.00 0.00 23.12 22.23 1ref s ALA 175 CO 0.09 0.51 -0.04 0.08 0.00 0.00 0.00 175.76 176.41 1ref s VAL 176 N -1.50 3.41 0.03 0.00 1.01 -0.38 -1.26 120.40 121.71 1ref s VAL 176 Ca 0.22 -0.50 0.06 0.00 0.00 0.00 0.00 61.98 61.76 1ref s VAL 176 Cb -0.09 -2.56 -0.03 0.00 0.00 0.00 0.00 36.38 33.69 1ref s VAL 176 CO 0.13 0.40 -0.15 -0.70 0.00 0.00 0.00 175.10 174.78 1ref s GLU 177 N 1.48 2.20 0.06 2.72 2.12 -0.47 -2.31 118.70 124.49 1ref s GLU 177 Ca 0.06 -0.91 0.03 0.00 0.36 0.00 0.00 54.97 54.50 1ref s GLU 177 Cb -0.14 -2.27 -0.03 0.00 0.26 0.00 0.00 34.13 31.95 1ref s GLU 177 CO -0.03 0.56 -0.09 0.20 -0.54 0.00 0.00 175.26 175.36 1ref s GLY 178 N -1.44 0.61 -0.29 -1.50 0.00 -0.84 -0.64 107.32 103.22 1ref s GLY 178 Ca 0.15 -0.88 -0.03 0.00 0.00 0.00 0.00 44.72 43.97 1ref s GLY 178 CO 0.06 -0.94 0.11 -0.47 0.00 0.00 0.00 173.10 171.87 1ref s TYR 179 N -1.63 0.89 -1.14 1.90 5.04 -0.55 -2.23 117.35 119.63 1ref s TYR 179 Ca -0.06 -1.21 -0.27 0.00 -2.44 0.00 0.00 57.07 53.10 1ref s TYR 179 Cb -0.08 -1.22 0.03 0.00 0.35 0.00 0.00 41.96 41.03 1ref s TYR 179 CO 0.00 -0.84 0.71 1.19 -1.34 0.00 0.00 175.55 175.27 1ref n PHE 180 N 5.09 -1.63 -2.64 4.97 3.01 0.15 -4.41 117.46 122.00 1ref n PHE 180 Ca -0.05 0.27 0.00 0.00 1.01 0.00 0.00 57.45 58.68 1ref n PHE 180 Cb 0.42 -2.98 0.00 0.00 -0.01 0.00 0.00 39.48 36.91 1ref n PHE 180 CO 0.00 0.00 0.00 -1.13 1.01 0.00 0.00 176.76 176.64 1ref n SER 181 N -2.33 0.00 -4.16 4.37 3.41 -1.26 -4.77 113.62 108.88 1ref n SER 181 Ca -0.13 -0.01 -0.10 0.00 -0.26 0.00 0.00 58.87 58.38 1ref n SER 181 Cb 0.58 0.00 -0.10 0.00 -0.26 0.00 0.00 64.21 64.43 1ref n SER 181 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 1ref s SER 182 N 1.35 0.64 0.00 4.04 0.01 -0.91 -1.40 113.70 117.44 1ref s SER 182 Ca 0.00 -1.14 0.00 0.00 1.31 0.00 0.00 55.95 56.12 1ref s SER 182 Cb 0.00 0.21 0.00 0.00 0.21 0.00 0.00 66.02 66.44 1ref s SER 182 CO 0.00 -0.64 0.00 0.61 0.41 0.00 0.00 173.24 173.62 1ref n GLY 183 N -0.09 -0.57 3.11 3.44 0.00 0.29 0.60 105.19 111.98 1ref n GLY 183 Ca -0.08 -1.36 -0.12 0.00 0.00 0.00 0.00 46.02 44.47 1ref n GLY 183 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1ref s SER 184 N 0.00 -0.07 -0.09 1.61 1.04 -0.76 -1.20 113.70 114.23 1ref s SER 184 Ca 0.00 0.03 -0.20 0.00 0.48 0.00 0.00 55.95 56.26 1ref s SER 184 Cb 0.00 0.28 0.04 0.00 0.10 0.00 0.00 66.02 66.45 1ref s SER 184 CO 0.00 -0.27 0.47 0.00 0.98 0.00 0.00 173.24 174.42 1ref s ALA 185 N -0.86 -1.19 -0.29 5.32 0.00 0.39 -0.94 121.76 124.18 1ref s ALA 185 Ca -0.09 0.99 -0.02 0.00 0.00 0.00 0.00 51.96 52.83 1ref s ALA 185 Cb -0.05 -0.29 0.12 0.00 0.00 0.00 0.00 23.12 22.89 1ref s ALA 185 CO 0.01 -0.28 0.21 0.45 0.00 0.00 0.00 175.76 176.16 1ref s SER 186 N -0.66 2.62 -0.01 0.00 0.15 -0.11 -1.11 113.70 114.57 1ref s SER 186 Ca -0.08 -1.06 0.05 0.00 0.70 0.00 0.00 55.95 55.56 1ref s SER 186 Cb -0.03 0.07 -0.03 0.00 -1.71 0.00 0.00 66.02 64.32 1ref s SER 186 CO 0.04 -0.41 -0.15 -0.63 1.20 0.00 0.00 173.24 173.29 1ref s ILE 187 N 2.20 3.00 -0.16 6.45 -1.09 -0.52 -1.22 121.20 129.87 1ref s ILE 187 Ca 0.09 -0.89 0.01 0.00 -2.23 0.00 0.00 60.65 57.63 1ref s ILE 187 Cb -0.15 -2.22 0.02 0.00 -1.58 0.00 0.00 42.46 38.53 1ref s ILE 187 CO -0.34 0.49 -0.17 -0.89 -1.23 0.00 0.00 174.94 172.80 1ref s THR 188 N -0.82 1.78 0.08 2.92 2.01 0.43 -0.82 115.64 121.22 1ref s THR 188 Ca 0.13 -0.77 0.02 0.00 0.31 0.00 0.00 61.69 61.38 1ref s THR 188 Cb -0.11 -1.63 -0.04 0.00 0.01 0.00 0.00 72.50 70.73 1ref s THR 188 CO 0.03 0.49 0.13 0.68 -0.69 0.00 0.00 174.62 175.27 1ref s VAL 189 N 1.33 4.83 0.00 3.82 -7.23 0.35 -1.90 120.40 121.60 1ref s VAL 189 Ca 0.03 -0.67 0.00 0.00 -1.81 0.00 0.00 61.98 59.53 1ref s VAL 189 Cb -0.13 -3.36 0.00 0.00 0.56 0.00 0.00 36.38 33.45 1ref s VAL 189 CO -0.10 0.10 0.00 -1.54 -0.31 0.00 0.00 175.10 173.25