#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 1.16 0.64 12.58 -4.36 -0.77 -4.98 121.20 125.46 1ref s ILE 3 Ca 0.00 -2.05 -0.05 0.00 -0.26 0.00 0.00 60.65 58.30 1ref s ILE 3 Cb 0.00 -2.41 0.04 0.00 1.25 0.00 0.00 42.46 41.34 1ref s ILE 3 CO 0.00 -0.29 0.93 -1.10 0.24 0.00 0.00 174.94 174.72 1ref s GLN 4 N -3.84 2.48 0.21 0.37 -0.21 -1.26 -4.52 119.66 112.89 1ref s GLN 4 Ca 0.29 -0.29 -0.31 0.00 0.02 0.00 0.00 55.36 55.08 1ref s GLN 4 Cb 0.06 -2.27 -0.15 0.00 1.00 0.00 0.00 33.01 31.65 1ref s GLN 4 CO 0.10 -0.97 1.12 -2.30 -2.12 0.00 0.00 175.29 171.12 1ref n PRO 5 N -2.70 1.24 0.00 2.91 -0.02 -1.26 -4.93 135.00 130.24 1ref n PRO 5 Ca 0.07 0.44 0.00 0.00 -2.02 0.00 0.00 63.50 61.99 1ref n PRO 5 Cb 0.59 -1.90 0.00 0.00 -0.02 0.00 0.00 33.50 32.17 1ref n PRO 5 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1ref n GLY 6 N 1.81 -0.87 3.32 -1.23 0.00 0.16 -5.00 105.19 103.38 1ref n GLY 6 Ca 0.13 -1.18 -0.16 0.00 0.00 0.00 0.00 46.02 44.81 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 0.81 -5.00 2.61 -4.23 -1.26 -0.80 115.64 105.77 1ref s THR 7 Ca 0.00 -2.01 0.00 0.00 -1.18 0.00 0.00 61.69 58.50 1ref s THR 7 Cb 0.00 -2.43 0.00 0.00 1.34 0.00 0.00 72.50 71.41 1ref s THR 7 CO 0.00 -0.22 0.00 0.61 -0.54 0.00 0.00 174.62 174.47 1ref n GLY 8 N -0.42 -0.35 3.14 3.99 0.00 -0.92 -4.99 105.19 105.64 1ref n GLY 8 Ca -0.03 -1.15 -0.30 0.00 0.00 0.00 0.00 46.02 44.54 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 -3.11 2.20 -0.14 1.61 2.02 -1.26 -0.64 117.35 118.03 1ref s TYR 9 Ca 0.00 -0.92 -0.01 0.00 -0.37 0.00 0.00 57.07 55.77 1ref s TYR 9 Cb 0.00 -1.51 0.04 0.00 -0.40 0.00 0.00 41.96 40.08 1ref s TYR 9 CO 0.00 -0.41 -0.04 1.21 -1.57 0.00 0.00 175.55 174.74 1ref s ASN 10 N 0.55 2.46 -1.45 2.29 3.84 0.10 -4.82 114.94 117.91 1ref s ASN 10 Ca -0.15 -0.48 -0.07 0.00 0.21 0.00 0.00 52.86 52.36 1ref s ASN 10 Cb -0.17 -0.80 0.03 0.00 -0.55 0.00 0.00 41.25 39.77 1ref s ASN 10 CO 0.05 -0.18 0.61 0.59 -2.79 0.00 0.00 177.10 175.38 1ref n ASN 11 N 4.95 -5.17 0.00 -4.21 3.02 -1.26 -1.78 115.26 110.81 1ref n ASN 11 Ca -0.11 -0.36 0.00 0.00 -0.03 0.00 0.00 54.58 54.08 1ref n ASN 11 Cb 0.49 -4.20 0.00 0.00 -0.61 0.00 0.00 39.78 35.46 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 -1.42 0.53 3.47 7.41 0.00 -1.26 -4.59 105.19 109.32 1ref n GLY 12 Ca -0.06 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.65 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 -2.19 2.56 0.28 1.61 1.51 -0.73 -5.07 117.35 115.32 1ref s TYR 13 Ca 0.00 -0.25 -0.29 0.00 -1.01 0.00 0.00 57.07 55.52 1ref s TYR 13 Cb 0.00 -1.44 -0.09 0.00 -0.11 0.00 0.00 41.96 40.32 1ref s TYR 13 CO 0.00 0.29 1.01 0.12 -1.11 0.00 0.00 175.55 175.87 1ref s PHE 14 N -0.99 3.74 0.08 2.71 5.36 -0.44 0.03 117.98 128.47 1ref s PHE 14 Ca 0.16 1.80 0.04 0.00 -0.96 0.00 0.00 56.93 57.96 1ref s PHE 14 Cb -0.11 -3.10 -0.03 0.00 -0.34 0.00 0.00 43.02 39.44 1ref s PHE 14 CO 0.07 -0.04 -0.10 1.52 -1.46 0.00 0.00 175.22 175.20 1ref s TYR 15 N -1.25 1.02 -0.09 10.12 -0.85 0.18 0.19 117.35 126.66 1ref s TYR 15 Ca 0.45 -0.60 -0.04 0.00 -0.52 0.00 0.00 57.07 56.35 1ref s TYR 15 Cb -0.27 -0.57 0.05 0.00 0.38 0.00 0.00 41.96 41.55 1ref s TYR 15 CO 0.34 -0.01 0.19 0.45 -1.52 0.00 0.00 175.55 175.01 1ref s SER 16 N -2.20 0.23 -0.08 -0.18 0.15 -0.78 -2.16 113.70 108.68 1ref s SER 16 Ca 0.02 0.41 0.00 0.00 0.70 0.00 0.00 55.95 57.08 1ref s SER 16 Cb -0.05 0.36 0.02 0.00 -1.71 0.00 0.00 66.02 64.64 1ref s SER 16 CO 0.00 -0.20 -0.07 -0.47 1.20 0.00 0.00 173.24 173.71 1ref s TYR 17 N 1.80 1.19 0.00 3.44 5.04 0.02 -1.85 117.35 126.99 1ref s TYR 17 Ca -0.03 -0.49 -0.04 0.00 -2.44 0.00 0.00 57.07 54.06 1ref s TYR 17 Cb -0.12 -1.01 -0.00 0.00 0.35 0.00 0.00 41.96 41.18 1ref s TYR 17 CO -0.07 -0.37 0.07 -0.46 -1.34 0.00 0.00 175.55 173.39 1ref s TRP 18 N 1.39 0.09 0.07 4.97 -0.00 0.02 -0.67 118.94 124.81 1ref s TRP 18 Ca -0.02 -0.21 -0.13 0.00 -0.00 0.00 0.00 56.10 55.74 1ref s TRP 18 Cb -0.13 -0.08 0.02 0.00 -0.00 0.00 0.00 33.47 33.27 1ref s TRP 18 CO -0.04 -0.22 0.30 0.54 -0.00 0.00 0.00 176.95 177.53 1ref s ASN 19 N -1.19 -0.09 0.00 5.86 2.20 -1.26 -0.73 114.94 119.74 1ref s ASN 19 Ca -0.13 -0.34 0.26 0.00 -0.94 0.00 0.00 52.86 51.72 1ref s ASN 19 Cb -0.07 0.38 1.53 0.00 -2.00 0.00 0.00 41.25 41.09 1ref s ASN 19 CO 0.00 -0.70 1.92 -0.90 -2.94 0.00 0.00 177.10 174.49 1ref n ASP 20 N 0.24 0.00 0.00 3.54 5.68 -0.38 -4.88 116.55 120.75 1ref n ASP 20 Ca -0.17 -0.69 0.00 0.00 -0.50 0.00 0.00 54.79 53.43 1ref n ASP 20 Cb 0.61 -0.05 0.00 0.00 -1.14 0.00 0.00 41.12 40.54 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 0.70 0.74 0.20 6.12 0.00 -1.26 -4.96 105.19 106.74 1ref n GLY 21 Ca 0.19 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 46.14 1ref n GLY 21 CO 0.00 0.00 0.00 0.84 0.00 0.00 0.00 173.32 174.16 1ref h HIS 22 N 0.00 0.52 0.00 1.61 6.17 -1.91 -3.50 115.15 118.04 1ref h HIS 22 Ca 0.00 -0.17 0.00 0.00 0.71 0.00 0.00 60.37 60.91 1ref h HIS 22 Cb 0.00 -0.10 0.00 0.00 2.52 0.00 0.00 27.41 29.83 1ref h HIS 22 CO 0.00 0.85 0.00 0.41 0.71 0.00 0.00 177.93 179.90 1ref n GLY 23 N 0.15 1.01 1.22 5.26 0.00 -1.26 -4.86 105.19 106.71 1ref n GLY 23 Ca -0.02 -1.92 0.00 0.00 0.00 0.00 0.00 46.02 44.08 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 1.41 0.78 2.95 -0.02 0.00 -1.26 -3.65 105.19 105.41 1ref n GLY 24 Ca 0.00 -0.62 -0.18 0.00 0.00 0.00 0.00 46.02 45.22 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 0.56 -0.20 1.61 1.01 -1.26 -0.90 120.40 119.22 1ref s VAL 25 Ca 0.00 -0.24 -0.01 0.00 0.00 0.00 0.00 61.98 61.73 1ref s VAL 25 Cb 0.00 -0.51 0.06 0.00 0.00 0.00 0.00 36.38 35.92 1ref s VAL 25 CO 0.00 0.19 -0.01 -0.89 0.00 0.00 0.00 175.10 174.39 1ref s THR 26 N 0.26 0.97 -0.16 3.92 2.01 -0.03 -5.00 115.64 117.60 1ref s THR 26 Ca -0.03 -0.79 -0.06 0.00 0.31 0.00 0.00 61.69 61.11 1ref s THR 26 Cb -0.08 -1.34 -0.04 0.00 0.01 0.00 0.00 72.50 71.06 1ref s THR 26 CO -0.00 -0.11 0.03 -0.47 -0.69 0.00 0.00 174.62 173.38 1ref s TYR 27 N 1.66 3.20 -0.07 4.92 6.14 -1.26 -1.48 117.35 130.46 1ref s TYR 27 Ca -0.02 0.01 0.00 0.00 0.64 0.00 0.00 57.07 57.70 1ref s TYR 27 Cb -0.17 -2.02 0.02 0.00 0.42 0.00 0.00 41.96 40.21 1ref s TYR 27 CO -0.07 0.16 -0.05 0.99 0.64 0.00 0.00 175.55 177.21 1ref s THR 28 N 0.20 0.70 -0.23 4.34 2.01 -0.34 -1.84 115.64 120.48 1ref s THR 28 Ca 0.03 -0.16 -0.27 0.00 0.31 0.00 0.00 61.69 61.59 1ref s THR 28 Cb -0.13 -0.73 0.00 0.00 0.01 0.00 0.00 72.50 71.66 1ref s THR 28 CO 0.01 0.28 0.96 0.20 -0.69 0.00 0.00 174.62 175.38 1ref s ASN 29 N 1.24 7.00 0.31 3.53 0.01 -1.26 -1.08 114.94 124.68 1ref s ASN 29 Ca -0.05 1.25 0.04 0.00 -0.71 0.00 0.00 52.86 53.39 1ref s ASN 29 Cb -0.14 -2.50 0.05 0.00 0.41 0.00 0.00 41.25 39.07 1ref s ASN 29 CO -0.02 -0.61 0.40 0.61 -1.51 0.00 0.00 177.10 175.97 1ref n GLY 30 N 3.48 1.84 3.77 0.66 0.00 0.14 -4.75 105.19 110.33 1ref n GLY 30 Ca 0.10 -2.16 -0.40 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 -3.32 3.96 7.81 1.61 0.04 -1.26 -4.32 135.00 139.51 1ref s PRO 31 Ca 0.30 2.20 0.00 0.00 0.04 0.00 0.00 61.00 63.54 1ref s PRO 31 Cb -0.02 -2.77 0.00 0.00 0.04 0.00 0.00 34.50 31.75 1ref s PRO 31 CO 0.19 -0.52 0.00 0.41 0.04 0.00 0.00 177.00 177.12 1ref n GLY 32 N 0.66 3.31 1.79 0.56 0.00 -1.26 -1.98 105.19 108.27 1ref n GLY 32 Ca 0.04 -0.15 -0.10 0.00 0.00 0.00 0.00 46.02 45.80 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 3.44 3.89 -0.02 0.00 -1.26 -4.63 105.19 106.61 1ref n GLY 33 Ca 0.00 -0.77 -0.34 0.00 0.00 0.00 0.00 46.02 44.91 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 -2.41 3.53 -0.04 1.61 0.74 -0.84 -0.40 119.66 121.85 1ref s GLN 34 Ca 0.42 -0.17 -0.12 0.00 0.05 0.00 0.00 55.36 55.54 1ref s GLN 34 Cb 0.34 -3.08 0.02 0.00 1.10 0.00 0.00 33.01 31.39 1ref s GLN 34 CO 0.09 0.65 0.28 -0.59 -0.55 0.00 0.00 175.29 175.18 1ref s PHE 35 N -1.32 -0.19 -0.04 1.67 -0.71 -0.61 0.27 117.98 117.05 1ref s PHE 35 Ca 0.28 0.37 0.05 0.00 -1.04 0.00 0.00 56.93 56.58 1ref s PHE 35 Cb -0.13 0.08 -0.01 0.00 -1.21 0.00 0.00 43.02 41.75 1ref s PHE 35 CO 0.17 -0.30 -0.18 -1.12 -1.34 0.00 0.00 175.22 172.45 1ref s SER 36 N -0.87 2.20 -0.08 1.98 0.01 -0.24 -1.78 113.70 114.91 1ref s SER 36 Ca -0.10 -0.36 0.03 0.00 1.31 0.00 0.00 55.95 56.84 1ref s SER 36 Cb -0.05 -0.55 0.01 0.00 0.21 0.00 0.00 66.02 65.64 1ref s SER 36 CO 0.03 0.17 -0.16 -0.69 0.41 0.00 0.00 173.24 172.99 1ref s VAL 37 N -0.04 1.46 -0.13 3.43 1.01 0.04 -1.20 120.40 124.97 1ref s VAL 37 Ca -0.02 -0.67 -0.01 0.00 0.00 0.00 0.00 61.98 61.29 1ref s VAL 37 Cb -0.11 -1.30 0.03 0.00 0.00 0.00 0.00 36.38 35.00 1ref s VAL 37 CO 0.02 0.43 -0.05 0.20 0.00 0.00 0.00 175.10 175.70 1ref s ASN 38 N 0.59 2.30 0.09 3.32 -0.87 -0.55 -0.58 114.94 119.25 1ref s ASN 38 Ca -0.15 -0.40 0.04 0.00 -1.57 0.00 0.00 52.86 50.78 1ref s ASN 38 Cb -0.16 -0.77 -0.03 0.00 -0.02 0.00 0.00 41.25 40.26 1ref s ASN 38 CO 0.05 -0.16 -0.11 -1.66 -2.57 0.00 0.00 177.10 172.64 1ref s TRP 39 N 1.75 1.11 -0.19 2.20 -2.14 -0.40 -0.85 118.94 120.41 1ref s TRP 39 Ca 0.03 -0.60 -0.05 0.00 2.66 0.00 0.00 56.10 58.15 1ref s TRP 39 Cb -0.14 -0.61 0.10 0.00 -3.10 0.00 0.00 33.47 29.72 1ref s TRP 39 CO -0.08 0.03 0.36 0.45 -2.66 0.00 0.00 176.95 175.05 1ref s SER 40 N -2.28 0.13 -1.39 -2.66 0.15 -0.08 -0.89 113.70 106.69 1ref s SER 40 Ca 0.04 0.61 -0.03 0.00 0.70 0.00 0.00 55.95 57.27 1ref s SER 40 Cb -0.05 1.07 0.02 0.00 -1.71 0.00 0.00 66.02 65.35 1ref s SER 40 CO 0.01 -0.26 0.67 0.59 1.20 0.00 0.00 173.24 175.45 1ref n ASN 41 N 5.37 -1.58 -2.49 5.45 5.03 -0.46 -4.56 115.26 122.02 1ref n ASN 41 Ca -0.06 -0.87 -0.07 0.00 0.87 0.00 0.00 54.58 54.44 1ref n ASN 41 Cb 0.50 -3.71 0.05 0.00 -1.02 0.00 0.00 39.78 35.60 1ref n ASN 41 CO 0.00 0.00 0.00 -1.54 -1.83 0.00 0.00 177.26 173.89 1ref n SER 42 N -2.99 0.07 0.00 6.41 3.41 -0.66 -4.70 113.62 115.15 1ref n SER 42 Ca -0.23 -1.14 0.00 0.00 -0.26 0.00 0.00 58.87 57.23 1ref n SER 42 Cb 0.65 -0.24 0.00 0.00 -0.26 0.00 0.00 64.21 64.36 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 2.88 2.46 3.69 5.00 0.00 -1.24 -3.72 105.19 114.26 1ref n GLY 43 Ca 0.04 -0.85 -0.35 0.00 0.00 0.00 0.00 46.02 44.86 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 0.02 5.77 0.07 1.61 3.04 -1.26 -0.90 114.94 123.29 1ref s ASN 44 Ca 0.00 0.17 -0.13 0.00 0.04 0.00 0.00 52.86 52.94 1ref s ASN 44 Cb 0.00 -1.93 0.02 0.00 -1.54 0.00 0.00 41.25 37.80 1ref s ASN 44 CO 0.00 0.25 0.30 0.72 -3.04 0.00 0.00 177.10 175.32 1ref s PHE 45 N -0.06 -0.07 -0.05 0.43 -0.12 -0.84 -1.25 117.98 116.02 1ref s PHE 45 Ca 0.07 -0.15 -0.02 0.00 -0.05 0.00 0.00 56.93 56.78 1ref s PHE 45 Cb -0.12 0.09 0.03 0.00 -0.63 0.00 0.00 43.02 42.40 1ref s PHE 45 CO 0.01 -0.54 0.08 0.08 -0.05 0.00 0.00 175.22 174.79 1ref s VAL 46 N -3.00 -0.12 -0.09 -2.49 1.01 0.09 -1.70 120.40 114.10 1ref s VAL 46 Ca -0.02 0.34 -0.09 0.00 0.00 0.00 0.00 61.98 62.21 1ref s VAL 46 Cb 0.01 -0.17 0.02 0.00 0.00 0.00 0.00 36.38 36.24 1ref s VAL 46 CO -0.06 0.14 0.25 -0.83 0.00 0.00 0.00 175.10 174.61 1ref s GLY 47 N 1.85 -0.18 0.00 4.51 0.00 -0.81 -0.80 107.32 111.88 1ref s GLY 47 Ca 0.00 0.65 0.00 0.00 0.00 0.00 0.00 44.72 45.37 1ref s GLY 47 CO -0.04 0.54 0.00 0.61 0.00 0.00 0.00 173.10 174.21 1ref n GLY 48 N 2.74 -0.51 3.46 0.20 0.00 -0.77 -0.93 105.19 109.38 1ref n GLY 48 Ca -0.14 -1.03 -0.25 0.00 0.00 0.00 0.00 46.02 44.60 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 1.65 0.00 1.61 1.02 -1.17 -1.87 119.74 118.97 1ref s LYS 49 Ca 0.00 -1.67 0.00 0.00 0.02 0.00 0.00 55.97 54.32 1ref s LYS 49 Cb 0.00 -1.81 0.00 0.00 -0.52 0.00 0.00 37.83 35.50 1ref s LYS 49 CO 0.00 0.36 0.00 0.41 -0.92 0.00 0.00 175.35 175.20 1ref n GLY 50 N -0.32 -0.63 3.21 -3.33 0.00 0.13 -1.08 105.19 103.17 1ref n GLY 50 Ca -0.08 0.13 -0.16 0.00 0.00 0.00 0.00 46.02 45.91 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 -0.86 1.25 -0.27 1.61 0.51 0.01 -1.33 118.94 119.87 1ref s TRP 51 Ca 0.00 -0.60 -0.01 0.00 -2.12 0.00 0.00 56.10 53.37 1ref s TRP 51 Cb 0.00 -0.66 0.13 0.00 -0.81 0.00 0.00 33.47 32.13 1ref s TRP 51 CO 0.00 0.08 0.32 -1.14 -0.51 0.00 0.00 176.95 175.70 1ref s GLN 52 N -2.75 0.32 0.59 4.98 2.00 -1.26 -1.16 119.66 122.38 1ref s GLN 52 Ca 0.08 0.08 -0.04 0.00 -2.00 0.00 0.00 55.36 53.47 1ref s GLN 52 Cb -0.04 -0.66 0.02 0.00 0.80 0.00 0.00 33.01 33.13 1ref s GLN 52 CO 0.02 -0.90 0.88 -1.25 -0.50 0.00 0.00 175.29 173.54 1ref s PRO 53 N 2.42 2.77 0.76 1.67 0.04 -1.26 -5.04 135.00 136.36 1ref s PRO 53 Ca 0.10 -0.19 -0.02 0.00 0.04 0.00 0.00 61.00 60.93 1ref s PRO 53 Cb -0.14 -2.31 0.15 0.00 0.04 0.00 0.00 34.50 32.23 1ref s PRO 53 CO -0.26 -0.74 1.04 0.20 0.04 0.00 0.00 177.00 177.28 1ref s GLY 54 N -4.34 1.76 0.44 0.56 0.00 -0.04 -4.88 107.32 100.81 1ref s GLY 54 Ca 0.55 -1.78 0.03 0.00 0.00 0.00 0.00 44.72 43.52 1ref s GLY 54 CO 0.43 -1.16 0.06 -0.51 0.00 0.00 0.00 173.10 171.92 1ref s THR 55 N -3.23 1.05 -2.03 0.90 -4.23 -1.26 -4.73 115.64 102.11 1ref s THR 55 Ca 0.68 -2.00 0.22 0.00 -1.18 0.00 0.00 61.69 59.41 1ref s THR 55 Cb -0.04 -2.39 0.59 0.00 1.34 0.00 0.00 72.50 71.99 1ref s THR 55 CO 0.46 0.00 1.50 0.29 -0.54 0.00 0.00 174.62 176.32 1ref n LYS 56 N -1.04 2.68 0.00 3.99 5.02 -1.26 -4.29 118.16 123.27 1ref n LYS 56 Ca -0.11 -2.57 0.00 0.00 -2.02 0.00 0.00 58.31 53.62 1ref n LYS 56 Cb 0.66 -1.55 0.00 0.00 -0.02 0.00 0.00 35.03 34.12 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 1.58 0.15 -4.73 4.39 6.94 -1.26 -3.68 115.26 118.65 1ref n ASN 57 Ca 0.23 -1.06 -0.42 0.00 -0.02 0.00 0.00 54.58 53.31 1ref n ASN 57 Cb 0.61 0.00 -0.03 0.00 -2.36 0.00 0.00 39.78 38.01 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 -0.06 4.24 -0.45 -3.83 2.20 -1.26 -4.68 119.74 115.90 1ref s LYS 58 Ca 0.00 2.32 -0.15 0.00 -0.36 0.00 0.00 55.97 57.78 1ref s LYS 58 Cb 0.00 -3.13 0.05 0.00 -1.51 0.00 0.00 37.83 33.24 1ref s LYS 58 CO 0.00 -0.50 0.36 0.08 -0.36 0.00 0.00 175.35 174.93 1ref s VAL 59 N 0.50 5.22 -0.15 4.02 1.01 -1.26 -2.58 120.40 127.16 1ref s VAL 59 Ca 0.64 -0.93 -0.16 0.00 0.00 0.00 0.00 61.98 61.53 1ref s VAL 59 Cb -0.42 -4.04 -0.04 0.00 0.00 0.00 0.00 36.38 31.87 1ref s VAL 59 CO 0.38 -0.48 0.41 -0.63 0.00 0.00 0.00 175.10 174.78 1ref s ILE 60 N 1.65 5.23 -0.09 2.22 1.01 0.08 -4.91 121.20 126.39 1ref s ILE 60 Ca 0.04 0.79 -0.01 0.00 0.00 0.00 0.00 60.65 61.47 1ref s ILE 60 Cb -0.22 -3.75 -0.03 0.00 0.01 0.00 0.00 42.46 38.47 1ref s ILE 60 CO 0.08 0.33 -0.03 0.20 0.00 0.00 0.00 174.94 175.51 1ref s ASN 61 N 0.66 4.91 -0.02 3.58 0.01 -0.71 -0.17 114.94 123.19 1ref s ASN 61 Ca 0.22 0.02 -0.07 0.00 -0.71 0.00 0.00 52.86 52.32 1ref s ASN 61 Cb -0.14 -1.41 0.01 0.00 0.41 0.00 0.00 41.25 40.11 1ref s ASN 61 CO 0.08 0.33 0.14 0.72 -1.51 0.00 0.00 177.10 176.86 1ref s PHE 62 N -0.60 -0.04 0.06 2.20 -0.71 -0.73 -1.16 117.98 117.00 1ref s PHE 62 Ca 0.09 0.07 -0.18 0.00 -1.04 0.00 0.00 56.93 55.87 1ref s PHE 62 Cb -0.12 -0.01 0.04 0.00 -1.21 0.00 0.00 43.02 41.72 1ref s PHE 62 CO 0.02 -0.21 0.42 -1.54 -1.34 0.00 0.00 175.22 172.56 1ref s SER 63 N -0.85 -0.29 0.00 1.98 1.04 -0.77 -1.12 113.70 113.69 1ref s SER 63 Ca -0.09 -0.04 0.00 0.00 0.48 0.00 0.00 55.95 56.30 1ref s SER 63 Cb -0.05 0.44 0.00 0.00 0.10 0.00 0.00 66.02 66.50 1ref s SER 63 CO 0.01 -0.70 0.00 0.61 0.98 0.00 0.00 173.24 174.14 1ref n GLY 64 N 0.38 0.65 3.33 7.32 0.00 -1.23 -0.45 105.19 115.18 1ref n GLY 64 Ca -0.18 -1.65 -0.32 0.00 0.00 0.00 0.00 46.02 43.88 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 3.28 -0.22 1.61 1.04 -0.36 -4.70 113.70 110.35 1ref s SER 65 Ca 0.00 -0.43 -0.02 0.00 0.48 0.00 0.00 55.95 55.98 1ref s SER 65 Cb 0.00 -0.68 0.07 0.00 0.10 0.00 0.00 66.02 65.51 1ref s SER 65 CO 0.00 0.29 0.04 -0.47 0.98 0.00 0.00 173.24 174.08 1ref s TYR 66 N -0.42 1.22 -0.67 5.02 5.04 -1.26 -0.96 117.35 125.32 1ref s TYR 66 Ca 0.04 -1.08 0.05 0.00 -2.44 0.00 0.00 57.07 53.64 1ref s TYR 66 Cb -0.12 -1.18 0.18 0.00 0.35 0.00 0.00 41.96 41.19 1ref s TYR 66 CO 0.01 -0.68 0.51 0.09 -1.34 0.00 0.00 175.55 174.14 1ref n ASN 67 N 4.99 2.71 -4.79 4.32 3.02 0.33 -5.02 115.26 120.82 1ref n ASN 67 Ca -0.08 -3.15 -0.35 0.00 -0.03 0.00 0.00 54.58 50.97 1ref n ASN 67 Cb 0.46 -0.73 -0.04 0.00 -0.61 0.00 0.00 39.78 38.86 1ref n ASN 67 CO 0.00 0.00 0.00 -2.16 -2.62 0.00 0.00 177.26 172.48 1ref s PRO 68 N -1.43 4.04 -0.52 3.52 0.04 -1.26 -1.94 135.00 137.46 1ref s PRO 68 Ca 0.28 1.40 0.06 0.00 0.04 0.00 0.00 61.00 62.78 1ref s PRO 68 Cb -0.01 -2.33 0.22 0.00 0.04 0.00 0.00 34.50 32.42 1ref s PRO 68 CO -0.16 -0.23 0.54 -1.71 0.04 0.00 0.00 177.00 175.49 1ref n ASN 69 N -0.46 1.54 0.00 6.66 5.15 0.11 -4.92 115.26 123.34 1ref n ASN 69 Ca 0.07 -2.93 0.00 0.00 -0.60 0.00 0.00 54.58 51.12 1ref n ASN 69 Cb 0.51 -0.65 0.00 0.00 -0.53 0.00 0.00 39.78 39.11 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 1.66 0.23 3.63 8.20 0.00 -1.26 -2.25 105.19 115.40 1ref n GLY 70 Ca 0.25 -1.86 -0.43 0.00 0.00 0.00 0.00 46.02 43.98 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 6.73 -0.09 1.61 3.04 -1.26 -1.52 114.94 119.45 1ref s ASN 71 Ca 0.00 1.16 -0.30 0.00 0.04 0.00 0.00 52.86 53.76 1ref s ASN 71 Cb 0.00 -2.54 0.11 0.00 -1.54 0.00 0.00 41.25 37.28 1ref s ASN 71 CO 0.00 -1.04 0.91 -0.55 -3.04 0.00 0.00 177.10 173.37 1ref s SER 72 N 2.54 -0.41 0.06 -4.21 0.15 -1.26 -1.54 113.70 109.03 1ref s SER 72 Ca 0.54 0.31 0.04 0.00 0.70 0.00 0.00 55.95 57.53 1ref s SER 72 Cb -0.16 0.37 -0.03 0.00 -1.71 0.00 0.00 66.02 64.50 1ref s SER 72 CO 0.22 -0.49 -0.11 -0.31 1.20 0.00 0.00 173.24 173.75 1ref s TYR 73 N -1.85 0.98 -0.19 3.44 2.02 0.26 -0.44 117.35 121.57 1ref s TYR 73 Ca -0.01 -0.50 0.01 0.00 -0.37 0.00 0.00 57.07 56.20 1ref s TYR 73 Cb -0.01 -0.56 0.04 0.00 -0.40 0.00 0.00 41.96 41.04 1ref s TYR 73 CO -0.01 -0.01 -0.10 -1.17 -1.57 0.00 0.00 175.55 172.70 1ref s LEU 74 N -1.76 2.08 0.26 -1.29 2.96 0.55 -1.25 118.68 120.22 1ref s LEU 74 Ca -0.04 -0.80 -0.22 0.00 -0.22 0.00 0.00 54.13 52.85 1ref s LEU 74 Cb -0.09 -1.16 0.03 0.00 0.50 0.00 0.00 46.19 45.46 1ref s LEU 74 CO 0.01 -0.14 0.75 -0.94 -1.32 0.00 0.00 176.35 174.71 1ref s SER 75 N 1.45 -0.26 -0.36 3.68 1.04 -0.59 -1.09 113.70 117.57 1ref s SER 75 Ca -0.00 -0.56 -0.24 0.00 0.48 0.00 0.00 55.95 55.63 1ref s SER 75 Cb -0.16 0.69 0.01 0.00 0.10 0.00 0.00 66.02 66.66 1ref s SER 75 CO -0.08 -1.27 0.81 -0.69 0.98 0.00 0.00 173.24 172.99 1ref s VAL 76 N -3.82 4.71 0.00 5.02 1.01 -0.56 -0.47 120.40 126.29 1ref s VAL 76 Ca 0.11 0.98 0.06 0.00 0.00 0.00 0.00 61.98 63.13 1ref s VAL 76 Cb -0.05 -4.23 -0.02 0.00 0.00 0.00 0.00 36.38 32.08 1ref s VAL 76 CO 0.06 -0.44 -0.19 -0.47 0.00 0.00 0.00 175.10 174.06 1ref s TYR 77 N 3.16 1.69 0.07 5.22 5.04 0.31 -0.89 117.35 131.95 1ref s TYR 77 Ca 0.33 -0.33 -0.12 0.00 -2.44 0.00 0.00 57.07 54.51 1ref s TYR 77 Cb -0.13 -1.06 0.04 0.00 0.35 0.00 0.00 41.96 41.16 1ref s TYR 77 CO 0.17 0.00 0.56 0.41 -1.34 0.00 0.00 175.55 175.35 1ref n GLY 78 N 2.40 0.81 3.37 8.97 0.00 -1.12 -0.90 105.19 118.73 1ref n GLY 78 Ca -0.16 -1.02 -0.19 0.00 0.00 0.00 0.00 46.02 44.66 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 -3.64 1.72 0.03 1.61 0.52 -1.00 -1.48 118.94 116.70 1ref s TRP 79 Ca 0.13 -0.96 -0.02 0.00 0.02 0.00 0.00 56.10 55.27 1ref s TRP 79 Cb -0.01 -1.05 -0.02 0.00 -1.15 0.00 0.00 33.47 31.24 1ref s TRP 79 CO 0.02 -0.05 0.01 0.45 0.02 0.00 0.00 176.95 177.40 1ref s SER 80 N -3.38 0.25 0.02 2.95 0.15 0.03 -1.75 113.70 111.96 1ref s SER 80 Ca 0.33 -0.55 0.08 0.00 0.70 0.00 0.00 55.95 56.50 1ref s SER 80 Cb 0.07 0.14 -0.02 0.00 -1.71 0.00 0.00 66.02 64.50 1ref s SER 80 CO 0.12 -0.38 -0.23 -0.13 1.20 0.00 0.00 173.24 173.81 1ref s ARG 81 N -2.00 1.70 -0.70 5.44 0.52 0.54 -1.90 118.95 122.55 1ref s ARG 81 Ca -0.11 -0.94 -0.08 0.00 -0.52 0.00 0.00 55.73 54.09 1ref s ARG 81 Cb -0.06 -1.76 0.01 0.00 0.52 0.00 0.00 34.95 33.67 1ref s ARG 81 CO -0.03 0.47 0.64 0.09 0.02 0.00 0.00 175.30 176.49 1ref n ASN 82 N 2.11 -6.10 -4.85 0.23 3.02 -1.26 -1.00 115.26 107.41 1ref n ASN 82 Ca -0.16 -0.43 -0.32 0.00 -0.03 0.00 0.00 54.58 53.63 1ref n ASN 82 Cb 0.52 -3.07 -0.04 0.00 -0.61 0.00 0.00 39.78 36.58 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 -3.76 3.94 -0.37 3.52 0.04 -1.26 -3.85 135.00 133.26 1ref s PRO 83 Ca 0.09 0.88 -0.29 0.00 0.04 0.00 0.00 61.00 61.72 1ref s PRO 83 Cb -0.01 -2.19 0.01 0.00 0.04 0.00 0.00 34.50 32.35 1ref s PRO 83 CO 0.84 -0.21 1.37 -1.17 0.04 0.00 0.00 177.00 177.88 1ref s LEU 84 N -3.95 3.70 -0.00 -3.56 2.96 -1.26 -4.52 118.68 112.06 1ref s LEU 84 Ca 0.58 0.98 0.02 0.00 -0.22 0.00 0.00 54.13 55.49 1ref s LEU 84 Cb -0.10 -3.54 -0.00 0.00 0.50 0.00 0.00 46.19 43.05 1ref s LEU 84 CO 0.30 -1.30 -0.06 -0.63 -1.32 0.00 0.00 176.35 173.34 1ref s ILE 85 N 5.03 0.47 -0.19 6.68 -1.09 -0.80 -3.81 121.20 127.49 1ref s ILE 85 Ca 0.60 -0.26 -0.02 0.00 -2.23 0.00 0.00 60.65 58.73 1ref s ILE 85 Cb -0.15 -0.40 -0.00 0.00 -1.58 0.00 0.00 42.46 40.33 1ref s ILE 85 CO 0.29 0.13 -0.09 -0.70 -1.23 0.00 0.00 174.94 173.34 1ref s GLU 86 N -0.16 3.32 0.23 2.79 2.12 -1.00 -0.79 118.70 125.21 1ref s GLU 86 Ca 0.02 -0.67 0.10 0.00 0.36 0.00 0.00 54.97 54.78 1ref s GLU 86 Cb -0.02 -2.85 -0.05 0.00 0.26 0.00 0.00 34.13 31.47 1ref s GLU 86 CO -0.00 -0.10 -0.19 1.52 -0.54 0.00 0.00 175.26 175.94 1ref s TYR 87 N 1.19 2.09 -0.02 5.30 -0.85 -0.55 -1.16 117.35 123.35 1ref s TYR 87 Ca 0.02 -0.41 -0.00 0.00 -0.52 0.00 0.00 57.07 56.16 1ref s TYR 87 Cb -0.14 -0.96 0.02 0.00 0.38 0.00 0.00 41.96 41.26 1ref s TYR 87 CO -0.03 0.54 0.03 0.71 -1.52 0.00 0.00 175.55 175.29 1ref s TYR 88 N -2.39 0.01 -0.58 -3.49 1.51 0.23 -2.79 117.35 109.85 1ref s TYR 88 Ca 0.25 0.13 0.04 0.00 -1.01 0.00 0.00 57.07 56.48 1ref s TYR 88 Cb -0.05 -0.18 0.15 0.00 -0.11 0.00 0.00 41.96 41.77 1ref s TYR 88 CO 0.11 -0.08 0.35 0.42 -1.11 0.00 0.00 175.55 175.24 1ref s ILE 89 N 0.87 2.56 -0.16 2.71 1.01 -0.06 -0.79 121.20 127.35 1ref s ILE 89 Ca -0.07 -3.62 -0.29 0.00 0.00 0.00 0.00 60.65 56.67 1ref s ILE 89 Cb -0.10 -2.74 -0.02 0.00 0.01 0.00 0.00 42.46 39.61 1ref s ILE 89 CO -0.03 -0.90 1.36 -0.69 0.00 0.00 0.00 174.94 174.69 1ref s VAL 90 N -0.68 4.11 -0.13 2.92 1.01 0.50 -1.50 120.40 126.64 1ref s VAL 90 Ca 0.20 1.33 0.17 0.00 0.00 0.00 0.00 61.98 63.69 1ref s VAL 90 Cb -0.17 -3.90 -0.22 0.00 0.00 0.00 0.00 36.38 32.09 1ref s VAL 90 CO -0.07 -0.16 0.46 -0.62 0.00 0.00 0.00 175.10 174.72 1ref n GLU 91 N 6.82 0.65 -3.56 2.72 -0.58 -0.25 -0.92 120.64 125.53 1ref n GLU 91 Ca 0.15 0.08 -0.14 0.00 -0.42 0.00 0.00 57.16 56.83 1ref n GLU 91 Cb 0.45 -1.65 -0.06 0.00 -0.57 0.00 0.00 31.44 29.61 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 -5.51 -0.53 0.16 1.62 3.04 -1.07 -2.03 114.94 110.62 1ref s ASN 92 Ca -0.07 0.64 -0.11 0.00 0.04 0.00 0.00 52.86 53.36 1ref s ASN 92 Cb 0.08 0.52 0.00 0.00 -1.54 0.00 0.00 41.25 40.31 1ref s ASN 92 CO 0.84 -0.45 0.33 0.72 -3.04 0.00 0.00 177.10 175.50 1ref s PHE 93 N -0.97 0.22 0.00 0.43 -0.12 -1.26 -0.33 117.98 115.94 1ref s PHE 93 Ca -0.06 -0.58 0.00 0.00 -0.05 0.00 0.00 56.93 56.24 1ref s PHE 93 Cb -0.01 0.06 0.00 0.00 -0.63 0.00 0.00 43.02 42.45 1ref s PHE 93 CO 0.05 -0.74 0.00 0.41 -0.05 0.00 0.00 175.22 174.89 1ref n GLY 94 N -0.23 1.07 0.12 1.99 0.00 0.42 -4.91 105.19 103.66 1ref n GLY 94 Ca -0.09 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.05 1ref n GLY 94 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 1ref h THR 95 N 0.00 0.00 -3.29 2.61 1.35 -1.57 -3.46 112.91 108.55 1ref h THR 95 Ca 0.00 -0.74 -0.67 0.00 -0.55 0.00 0.00 66.41 64.46 1ref h THR 95 Cb 0.00 1.48 -0.30 0.00 -1.73 0.00 0.00 68.15 67.60 1ref h THR 95 CO 0.00 0.00 -0.81 -0.47 -0.25 0.00 0.00 175.52 173.99 1ref s TYR 96 N -3.21 2.74 -0.35 4.73 5.04 -1.26 -5.00 117.35 120.05 1ref s TYR 96 Ca 0.06 -0.97 -0.27 0.00 -2.44 0.00 0.00 57.07 53.45 1ref s TYR 96 Cb 0.10 -1.84 0.01 0.00 0.35 0.00 0.00 41.96 40.58 1ref s TYR 96 CO 0.70 -0.41 0.98 1.21 -1.34 0.00 0.00 175.55 176.69 1ref s ASN 97 N 0.63 6.78 0.26 4.32 3.84 -1.26 -4.80 114.94 124.70 1ref s ASN 97 Ca -0.09 0.78 0.19 0.00 0.21 0.00 0.00 52.86 53.95 1ref s ASN 97 Cb -0.16 -2.49 0.97 0.00 -0.55 0.00 0.00 41.25 39.02 1ref s ASN 97 CO 0.03 -0.86 1.59 -0.81 -2.79 0.00 0.00 177.10 174.26 1ref n PRO 98 N 6.79 0.13 0.00 0.43 -0.04 -1.26 -1.96 135.00 139.10 1ref n PRO 98 Ca 0.09 0.56 0.15 0.00 -0.04 0.00 0.00 63.50 64.26 1ref n PRO 98 Cb 0.48 -1.87 0.73 0.00 -0.04 0.00 0.00 33.50 32.80 1ref n PRO 98 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 1ref n SER 99 N -2.14 0.44 -4.67 3.54 3.41 -1.26 -4.85 113.62 108.09 1ref n SER 99 Ca -0.00 -0.84 -0.42 0.00 -0.26 0.00 0.00 58.87 57.35 1ref n SER 99 Cb 0.08 -0.06 -0.03 0.00 -0.26 0.00 0.00 64.21 63.94 1ref n SER 99 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 1ref s THR 100 N -2.24 2.93 0.00 6.66 2.01 -0.83 -1.24 115.64 122.93 1ref s THR 100 Ca 0.37 0.17 0.00 0.00 0.31 0.00 0.00 61.69 62.54 1ref s THR 100 Cb 0.21 -3.11 0.00 0.00 0.01 0.00 0.00 72.50 69.61 1ref s THR 100 CO 0.41 -0.01 0.00 0.61 -0.69 0.00 0.00 174.62 174.94 1ref n GLY 101 N 4.32 0.73 3.90 4.40 0.00 -1.26 -5.06 105.19 112.22 1ref n GLY 101 Ca 0.18 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.98 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 -2.29 3.78 -0.30 4.61 0.00 -0.37 -5.00 121.76 122.18 1ref s ALA 102 Ca 0.00 -1.26 -0.15 0.00 0.00 0.00 0.00 51.96 50.55 1ref s ALA 102 Cb 0.00 -1.56 -0.03 0.00 0.00 0.00 0.00 23.12 21.54 1ref s ALA 102 CO 0.00 0.32 0.37 0.99 0.00 0.00 0.00 175.76 177.43 1ref s THR 103 N -1.97 5.17 0.06 0.00 2.01 -1.11 -4.92 115.64 114.88 1ref s THR 103 Ca 0.33 0.37 -0.31 0.00 0.31 0.00 0.00 61.69 62.39 1ref s THR 103 Cb -0.09 -3.74 -0.06 0.00 0.01 0.00 0.00 72.50 68.61 1ref s THR 103 CO 0.27 0.06 1.30 -0.75 -0.69 0.00 0.00 174.62 174.81 1ref s LYS 104 N 2.06 4.36 -0.10 4.92 2.20 -1.26 -2.20 119.74 129.72 1ref s LYS 104 Ca 0.14 1.91 0.14 0.00 -0.36 0.00 0.00 55.97 57.79 1ref s LYS 104 Cb -0.16 -3.37 -0.20 0.00 -1.51 0.00 0.00 37.83 32.59 1ref s LYS 104 CO 0.11 -0.39 0.14 1.28 -0.36 0.00 0.00 175.35 176.13 1ref n LEU 105 N 4.28 0.00 0.00 5.43 4.77 0.16 -4.98 117.00 126.66 1ref n LEU 105 Ca 0.11 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.09 1ref n LEU 105 Cb 0.44 0.24 0.00 0.00 -2.33 0.00 0.00 43.42 41.78 1ref n LEU 105 CO 0.57 0.24 0.00 0.61 -1.33 0.00 0.00 177.39 177.48 1ref n GLY 106 N 1.95 -0.72 3.05 -0.72 0.00 -1.22 -5.02 105.19 102.51 1ref n GLY 106 Ca -0.17 -0.81 -0.09 0.00 0.00 0.00 0.00 46.02 44.95 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 -0.67 0.50 -0.10 1.61 2.02 -1.26 -0.41 118.70 120.38 1ref s GLU 107 Ca 0.00 -0.90 -0.08 0.00 0.02 0.00 0.00 54.97 54.01 1ref s GLU 107 Cb 0.00 0.03 0.03 0.00 0.10 0.00 0.00 34.13 34.30 1ref s GLU 107 CO 0.00 -0.05 0.26 0.54 0.02 0.00 0.00 175.26 176.04 1ref s VAL 108 N -2.42 -0.01 -0.23 2.63 0.11 -0.42 -4.95 120.40 115.11 1ref s VAL 108 Ca -0.05 0.04 -0.14 0.00 -2.93 0.00 0.00 61.98 58.91 1ref s VAL 108 Cb -0.03 -0.38 -0.04 0.00 -1.53 0.00 0.00 36.38 34.39 1ref s VAL 108 CO -0.04 0.02 0.30 -0.89 -3.33 0.00 0.00 175.10 171.16 1ref s THR 109 N 0.48 5.26 -0.21 5.04 2.01 -1.26 0.36 115.64 127.32 1ref s THR 109 Ca -0.03 0.47 -0.14 0.00 0.31 0.00 0.00 61.69 62.30 1ref s THR 109 Cb -0.04 -3.63 0.06 0.00 0.01 0.00 0.00 72.50 68.90 1ref s THR 109 CO -0.03 0.27 0.53 -0.55 -0.69 0.00 0.00 174.62 174.15 1ref s SER 110 N 1.19 -0.65 -1.30 3.53 0.15 -0.15 -4.98 113.70 111.49 1ref s SER 110 Ca 0.14 1.12 -0.04 0.00 0.70 0.00 0.00 55.95 57.87 1ref s SER 110 Cb -0.15 1.04 -0.00 0.00 -1.71 0.00 0.00 66.02 65.21 1ref s SER 110 CO 0.07 -0.20 0.62 0.47 1.20 0.00 0.00 173.24 175.40 1ref n ASP 111 N 3.80 -1.74 -0.11 5.45 8.00 -1.26 -2.98 116.55 127.71 1ref n ASP 111 Ca -0.19 -0.92 -0.01 0.00 0.71 0.00 0.00 54.79 54.38 1ref n ASP 111 Cb 0.57 -3.62 -0.01 0.00 -0.02 0.00 0.00 41.12 38.04 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 -1.73 0.49 3.56 0.44 0.00 -1.26 -4.97 105.19 101.72 1ref n GLY 112 Ca -0.26 -1.02 -0.10 0.00 0.00 0.00 0.00 46.02 44.64 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 -2.98 -0.37 0.21 1.61 0.15 -1.16 -4.96 113.70 106.20 1ref s SER 113 Ca 0.00 0.28 -0.18 0.00 0.70 0.00 0.00 55.95 56.75 1ref s SER 113 Cb 0.00 0.32 -0.08 0.00 -1.71 0.00 0.00 66.02 64.56 1ref s SER 113 CO 0.00 -0.42 0.68 -0.69 1.20 0.00 0.00 173.24 174.01 1ref s VAL 114 N -1.74 4.65 0.06 4.45 1.01 -1.26 -0.97 120.40 126.59 1ref s VAL 114 Ca 0.00 1.15 0.08 0.00 0.00 0.00 0.00 61.98 63.22 1ref s VAL 114 Cb -0.01 -3.82 -0.03 0.00 0.00 0.00 0.00 36.38 32.53 1ref s VAL 114 CO -0.01 0.20 -0.23 -0.31 0.00 0.00 0.00 175.10 174.75 1ref s TYR 115 N -1.53 2.00 -0.19 5.22 1.51 0.16 -1.94 117.35 122.58 1ref s TYR 115 Ca 0.42 -0.39 -0.09 0.00 -1.01 0.00 0.00 57.07 56.00 1ref s TYR 115 Cb -0.16 -1.17 -0.05 0.00 -0.11 0.00 0.00 41.96 40.48 1ref s TYR 115 CO 0.20 0.14 0.11 -0.51 -1.11 0.00 0.00 175.55 174.39 1ref s ASP 116 N -1.40 6.02 -0.14 2.29 1.01 -0.53 -1.30 116.67 122.63 1ref s ASP 116 Ca 0.09 0.19 -0.13 0.00 0.71 0.00 0.00 52.55 53.42 1ref s ASP 116 Cb -0.09 -2.04 -0.05 0.00 1.01 0.00 0.00 42.92 41.75 1ref s ASP 116 CO 0.03 0.19 0.27 -0.63 0.21 0.00 0.00 175.17 175.24 1ref s ILE 117 N 0.29 5.31 0.16 0.77 1.01 0.46 -1.15 121.20 128.05 1ref s ILE 117 Ca 0.07 0.50 0.01 0.00 0.00 0.00 0.00 60.65 61.23 1ref s ILE 117 Cb -0.11 -3.59 -0.04 0.00 0.01 0.00 0.00 42.46 38.72 1ref s ILE 117 CO -0.01 0.45 0.02 -0.31 0.00 0.00 0.00 174.94 175.09 1ref s TYR 118 N 0.07 1.08 -0.09 3.97 1.51 -0.70 -0.67 117.35 122.53 1ref s TYR 118 Ca 0.16 -1.09 -0.06 0.00 -1.01 0.00 0.00 57.07 55.07 1ref s TYR 118 Cb -0.13 -0.62 0.03 0.00 -0.11 0.00 0.00 41.96 41.13 1ref s TYR 118 CO 0.04 -0.31 0.22 0.50 -1.11 0.00 0.00 175.55 174.89 1ref s ARG 119 N -3.96 0.22 0.08 -0.62 3.52 -0.93 -0.94 118.95 116.32 1ref s ARG 119 Ca 0.23 0.38 0.01 0.00 -0.13 0.00 0.00 55.73 56.23 1ref s ARG 119 Cb 0.07 0.02 -0.04 0.00 -1.56 0.00 0.00 34.95 33.44 1ref s ARG 119 CO 0.03 -0.08 -0.06 0.95 -0.81 0.00 0.00 175.30 175.33 1ref s THR 120 N 0.56 0.55 -0.10 4.11 -4.23 -0.45 -2.75 115.64 113.34 1ref s THR 120 Ca -0.04 -1.72 0.02 0.00 -1.18 0.00 0.00 61.69 58.77 1ref s THR 120 Cb -0.05 -1.41 -0.01 0.00 1.34 0.00 0.00 72.50 72.37 1ref s THR 120 CO -0.03 -0.80 -0.16 -1.58 -0.54 0.00 0.00 174.62 171.51 1ref s GLN 121 N -3.36 3.09 -0.38 3.99 0.74 -1.26 0.24 119.66 122.72 1ref s GLN 121 Ca 0.06 -0.74 -0.08 0.00 0.05 0.00 0.00 55.36 54.65 1ref s GLN 121 Cb 0.03 -2.48 0.05 0.00 1.10 0.00 0.00 33.01 31.71 1ref s GLN 121 CO -0.05 0.30 0.18 1.03 -0.55 0.00 0.00 175.29 176.20 1ref s ARG 122 N 0.11 2.62 -0.18 1.67 0.52 0.42 -4.97 118.95 119.14 1ref s ARG 122 Ca -0.08 -1.29 -0.20 0.00 -0.52 0.00 0.00 55.73 53.64 1ref s ARG 122 Cb -0.15 -3.63 -0.03 0.00 0.52 0.00 0.00 34.95 31.66 1ref s ARG 122 CO 0.05 -0.79 0.58 0.08 0.02 0.00 0.00 175.30 175.24 1ref s VAL 123 N 1.42 5.07 -1.34 3.52 1.01 -1.26 -1.43 120.40 127.39 1ref s VAL 123 Ca 0.01 1.10 -0.02 0.00 0.00 0.00 0.00 61.98 63.07 1ref s VAL 123 Cb -0.21 -3.90 -0.00 0.00 0.00 0.00 0.00 36.38 32.27 1ref s VAL 123 CO 0.03 0.16 0.57 0.59 0.00 0.00 0.00 175.10 176.46 1ref n ASN 124 N 4.74 -1.17 -4.58 3.32 3.02 -1.07 -4.93 115.26 114.58 1ref n ASN 124 Ca -0.03 -0.93 -0.28 0.00 -0.03 0.00 0.00 54.58 53.31 1ref n ASN 124 Cb 0.50 -3.53 -0.09 0.00 -0.61 0.00 0.00 39.78 36.05 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 -6.23 2.12 0.56 3.52 -1.52 0.03 -4.71 119.66 113.43 1ref s GLN 125 Ca 0.05 -1.12 -0.21 0.00 -1.95 0.00 0.00 55.36 52.12 1ref s GLN 125 Cb -0.02 -2.25 -0.04 0.00 -0.22 0.00 0.00 33.01 30.48 1ref s GLN 125 CO 0.85 0.47 1.31 -1.25 -0.25 0.00 0.00 175.29 176.43 1ref s PRO 126 N -2.51 3.09 0.08 2.91 0.04 -1.26 -0.88 135.00 136.47 1ref s PRO 126 Ca 0.23 2.12 -0.01 0.00 0.04 0.00 0.00 61.00 63.39 1ref s PRO 126 Cb -0.10 -2.17 0.00 0.00 0.04 0.00 0.00 34.50 32.27 1ref s PRO 126 CO 0.15 -1.19 0.12 -1.13 0.04 0.00 0.00 177.00 174.98 1ref n SER 127 N -1.17 -0.33 0.04 6.66 3.41 0.06 -4.84 113.62 117.45 1ref n SER 127 Ca 0.11 -1.45 0.07 0.00 -0.26 0.00 0.00 58.87 57.35 1ref n SER 127 Cb 0.46 0.61 0.32 0.00 -0.26 0.00 0.00 64.21 65.34 1ref n SER 127 CO 0.00 0.00 0.00 2.30 -0.16 0.00 0.00 175.04 177.18 1ref n ILE 128 N -0.14 1.13 -0.53 -1.33 -5.35 -1.26 -1.80 119.36 110.08 1ref n ILE 128 Ca 0.00 0.32 0.05 0.00 -0.27 0.00 0.00 62.75 62.85 1ref n ILE 128 Cb 0.14 -1.16 0.08 0.00 -1.74 0.00 0.00 39.64 36.96 1ref n ILE 128 CO 0.00 0.00 0.00 2.30 -1.76 0.00 0.00 176.55 177.09 1ref n ILE 129 N -1.71 1.46 -0.43 7.28 -5.35 -1.26 -5.11 119.36 114.23 1ref n ILE 129 Ca 0.02 -1.62 0.00 0.00 -0.27 0.00 0.00 62.75 60.89 1ref n ILE 129 Cb 0.15 0.13 0.00 0.00 -1.74 0.00 0.00 39.64 38.18 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 -0.90 -1.80 3.67 3.28 0.00 -0.74 -4.91 105.19 103.79 1ref n GLY 130 Ca 0.09 -1.96 -0.42 0.00 0.00 0.00 0.00 46.02 43.72 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 3.23 0.29 2.61 2.01 -1.26 -0.76 115.64 121.76 1ref s THR 131 Ca 0.00 0.40 -0.17 0.00 0.31 0.00 0.00 61.69 62.22 1ref s THR 131 Cb 0.00 -3.26 0.02 0.00 0.01 0.00 0.00 72.50 69.27 1ref s THR 131 CO 0.00 -0.03 0.65 0.00 -0.69 0.00 0.00 174.62 174.55 1ref s ALA 132 N 3.86 -0.79 -0.20 7.40 0.00 -0.06 -4.88 121.76 127.09 1ref s ALA 132 Ca 0.79 -0.58 -0.05 0.00 0.00 0.00 0.00 51.96 52.12 1ref s ALA 132 Cb -0.38 0.91 -0.02 0.00 0.00 0.00 0.00 23.12 23.62 1ref s ALA 132 CO 0.35 -0.97 -0.01 0.99 0.00 0.00 0.00 175.76 176.11 1ref s THR 133 N -3.73 3.84 0.14 0.00 2.01 -1.26 -0.79 115.64 115.85 1ref s THR 133 Ca 0.16 -0.35 -0.12 0.00 0.31 0.00 0.00 61.69 61.69 1ref s THR 133 Cb -0.04 -2.73 0.01 0.00 0.01 0.00 0.00 72.50 69.75 1ref s THR 133 CO 0.09 0.44 0.33 0.72 -0.69 0.00 0.00 174.62 175.50 1ref s PHE 134 N 0.99 0.14 0.35 4.92 -0.71 -0.52 -4.95 117.98 118.19 1ref s PHE 134 Ca 0.01 -0.50 -0.08 0.00 -1.04 0.00 0.00 56.93 55.32 1ref s PHE 134 Cb -0.14 0.08 -0.06 0.00 -1.21 0.00 0.00 43.02 41.69 1ref s PHE 134 CO 0.01 -0.71 0.67 0.71 -1.34 0.00 0.00 175.22 174.56 1ref s TYR 135 N -3.90 3.47 -0.17 3.49 2.02 -1.25 -0.44 117.35 120.58 1ref s TYR 135 Ca 0.10 0.85 0.01 0.00 -0.37 0.00 0.00 57.07 57.66 1ref s TYR 135 Cb 0.03 -2.28 0.03 0.00 -0.40 0.00 0.00 41.96 39.34 1ref s TYR 135 CO -0.05 0.02 -0.12 -1.14 -1.57 0.00 0.00 175.55 172.69 1ref s GLN 136 N -3.71 2.11 -0.13 -0.62 0.74 0.14 -2.38 119.66 115.80 1ref s GLN 136 Ca 0.48 -0.69 -0.08 0.00 0.05 0.00 0.00 55.36 55.12 1ref s GLN 136 Cb -0.10 -2.24 -0.04 0.00 1.10 0.00 0.00 33.01 31.72 1ref s GLN 136 CO 0.31 -0.34 0.15 0.71 -0.55 0.00 0.00 175.29 175.57 1ref s TYR 137 N 1.45 3.56 0.10 1.67 1.51 -0.31 -1.34 117.35 123.99 1ref s TYR 137 Ca 0.02 0.51 0.08 0.00 -1.01 0.00 0.00 57.07 56.66 1ref s TYR 137 Cb -0.15 -2.01 -0.03 0.00 -0.11 0.00 0.00 41.96 39.66 1ref s TYR 137 CO -0.09 0.63 -0.20 -1.58 -1.11 0.00 0.00 175.55 173.19 1ref s TRP 138 N -0.69 1.73 -0.30 2.71 0.52 -0.12 -0.60 118.94 122.19 1ref s TRP 138 Ca 0.14 -0.42 -0.02 0.00 0.02 0.00 0.00 56.10 55.82 1ref s TRP 138 Cb -0.12 -0.95 0.12 0.00 -1.15 0.00 0.00 33.47 31.37 1ref s TRP 138 CO 0.03 0.19 0.22 0.45 0.02 0.00 0.00 176.95 177.86 1ref s SER 139 N -1.87 2.58 -0.27 2.95 0.15 0.03 -1.72 113.70 115.56 1ref s SER 139 Ca 0.06 -1.11 -0.11 0.00 0.70 0.00 0.00 55.95 55.48 1ref s SER 139 Cb -0.10 0.07 -0.05 0.00 -1.71 0.00 0.00 66.02 64.23 1ref s SER 139 CO 0.04 -0.40 0.21 -0.69 1.20 0.00 0.00 173.24 173.60 1ref s VAL 140 N 2.14 5.30 0.08 4.45 1.01 -0.30 -0.37 120.40 132.71 1ref s VAL 140 Ca 0.10 0.22 -0.31 0.00 0.00 0.00 0.00 61.98 62.00 1ref s VAL 140 Cb -0.15 -3.55 -0.06 0.00 0.00 0.00 0.00 36.38 32.61 1ref s VAL 140 CO -0.32 0.25 1.24 -0.60 0.00 0.00 0.00 175.10 175.67 1ref s ARG 141 N 1.72 4.41 0.08 2.72 3.52 -0.10 -1.46 118.95 129.85 1ref s ARG 141 Ca 0.08 1.85 -0.15 0.00 -0.13 0.00 0.00 55.73 57.38 1ref s ARG 141 Cb -0.16 -3.32 -0.14 0.00 -1.56 0.00 0.00 34.95 29.77 1ref s ARG 141 CO 0.10 -0.29 1.31 0.00 -0.81 0.00 0.00 175.30 175.61 1ref h ARG 142 N 6.71 0.67 -4.32 5.12 3.08 -1.72 -3.39 114.38 120.53 1ref h ARG 142 Ca -0.42 -0.48 -0.74 0.00 0.07 0.00 0.00 59.98 58.41 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 0.82 1.10 0.14 -0.80 -1.07 0.00 0.00 179.97 180.16 1ref s ASN 143 N -6.77 6.44 0.53 7.04 0.01 -1.26 -5.05 114.94 115.88 1ref s ASN 143 Ca -0.12 -2.02 -0.22 0.00 -0.71 0.00 0.00 52.86 49.80 1ref s ASN 143 Cb 0.07 -2.26 -0.06 0.00 0.41 0.00 0.00 41.25 39.41 1ref s ASN 143 CO 0.85 -0.87 1.18 1.41 -1.51 0.00 0.00 177.10 178.16 1ref n HIS 144 N 5.34 1.67 -3.42 2.20 8.25 -1.26 -4.98 115.22 123.01 1ref n HIS 144 Ca 0.02 0.46 -0.12 0.00 -0.26 0.00 0.00 57.72 57.82 1ref n HIS 144 Cb 0.44 -2.28 -0.02 0.00 1.12 0.00 0.00 29.99 29.26 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 -2.64 1.27 0.00 -0.41 1.70 -0.86 -5.01 118.95 113.00 1ref s ARG 145 Ca 0.70 -0.44 0.03 0.00 -0.47 0.00 0.00 55.73 55.55 1ref s ARG 145 Cb -0.45 0.59 0.03 0.00 -0.57 0.00 0.00 34.95 34.55 1ref s ARG 145 CO 0.51 -0.55 0.69 0.43 -1.08 0.00 0.00 175.30 175.30 1ref n SER 146 N -0.34 1.45 -3.79 -2.89 7.64 -1.26 -4.22 113.62 110.21 1ref n SER 146 Ca -0.17 -1.32 -0.13 0.00 1.01 0.00 0.00 58.87 58.27 1ref n SER 146 Cb 0.65 -0.01 -0.12 0.00 -1.01 0.00 0.00 64.21 63.72 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 -0.40 -0.24 0.00 6.43 0.01 -1.26 -3.57 113.70 114.66 1ref s SER 147 Ca 0.04 0.46 0.00 0.00 1.31 0.00 0.00 55.95 57.76 1ref s SER 147 Cb 0.02 0.48 0.00 0.00 0.21 0.00 0.00 66.02 66.74 1ref s SER 147 CO 0.03 -0.10 0.00 0.61 0.41 0.00 0.00 173.24 174.20 1ref n GLY 148 N 2.89 -0.76 2.86 3.44 0.00 -0.27 -5.00 105.19 108.36 1ref n GLY 148 Ca -0.13 -1.12 -0.18 0.00 0.00 0.00 0.00 46.02 44.59 1ref n GLY 148 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1ref s SER 149 N -4.00 0.58 -0.21 1.61 0.15 -1.26 -1.77 113.70 108.80 1ref s SER 149 Ca 0.00 -0.07 -0.03 0.00 0.70 0.00 0.00 55.95 56.55 1ref s SER 149 Cb 0.00 -0.26 -0.01 0.00 -1.71 0.00 0.00 66.02 64.04 1ref s SER 149 CO 0.00 -0.06 -0.06 -0.69 1.20 0.00 0.00 173.24 173.63 1ref s VAL 150 N 0.78 3.28 -0.79 4.45 1.01 0.76 -4.80 120.40 125.09 1ref s VAL 150 Ca -0.09 -0.53 -0.18 0.00 0.00 0.00 0.00 61.98 61.19 1ref s VAL 150 Cb -0.12 -2.48 0.14 0.00 0.00 0.00 0.00 36.38 33.93 1ref s VAL 150 CO -0.01 0.44 0.90 0.21 0.00 0.00 0.00 175.10 176.64 1ref s ASN 151 N 1.32 6.51 0.52 3.32 2.47 -1.26 -0.74 114.94 127.08 1ref s ASN 151 Ca 0.04 -1.99 0.26 0.00 0.42 0.00 0.00 52.86 51.60 1ref s ASN 151 Cb -0.14 -2.32 1.39 0.00 -1.45 0.00 0.00 41.25 38.73 1ref s ASN 151 CO -0.03 -0.97 1.96 0.71 -3.72 0.00 0.00 177.10 175.06 1ref h THR 152 N 5.59 0.69 -1.00 -5.21 1.35 -1.80 -2.17 112.91 110.35 1ref h THR 152 Ca -0.01 -0.01 0.06 0.00 -0.55 0.00 0.00 66.41 65.89 1ref h THR 152 Cb 1.05 0.66 -0.06 0.00 -1.73 0.00 0.00 68.15 68.06 1ref h THR 152 CO 1.01 0.01 0.65 0.00 -0.25 0.00 0.00 175.52 176.94 1ref h ALA 153 N 1.68 1.39 -0.48 6.62 0.00 -1.79 -0.88 119.26 125.80 1ref h ALA 153 Ca 0.31 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 55.18 1ref h ALA 153 Cb 1.18 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 18.62 1ref h ALA 153 CO -0.01 0.47 0.26 -0.91 0.00 0.00 0.00 179.25 179.06 1ref h ASN 154 N 1.20 0.58 0.01 0.00 2.35 -1.73 -0.54 115.58 117.46 1ref h ASN 154 Ca 0.42 -0.04 -0.01 0.00 -0.55 0.00 0.00 56.30 56.12 1ref h ASN 154 Cb 0.12 -0.15 0.00 0.00 0.05 0.00 0.00 38.32 38.35 1ref h ASN 154 CO -0.16 0.47 -0.06 0.45 -1.65 0.00 0.00 177.43 176.49 1ref h HIS 155 N 0.67 0.04 -0.65 1.19 3.86 -1.47 -2.81 115.15 115.98 1ref h HIS 155 Ca 0.17 -0.03 0.05 0.00 -1.16 0.00 0.00 60.37 59.40 1ref h HIS 155 Cb 0.02 -0.00 -0.04 0.00 1.06 0.00 0.00 27.41 28.45 1ref h HIS 155 CO 0.00 0.95 0.43 0.74 0.86 0.00 0.00 177.93 180.92 1ref h PHE 156 N -0.88 0.69 -0.28 2.45 0.04 -1.06 0.32 116.94 118.22 1ref h PHE 156 Ca -0.01 0.02 -0.17 0.00 2.80 0.00 0.00 57.97 60.61 1ref h PHE 156 Cb 0.97 -0.23 0.00 0.00 2.20 0.00 0.00 35.95 38.90 1ref h PHE 156 CO 0.25 0.38 -0.49 -0.91 -0.60 0.00 0.00 178.31 176.94 1ref h ASN 157 N 0.70 0.92 -0.53 2.17 -0.26 -1.20 -1.15 115.58 116.23 1ref h ASN 157 Ca 0.27 -0.53 -0.09 0.00 -0.56 0.00 0.00 56.30 55.40 1ref h ASN 157 Cb 0.19 -0.26 -0.02 0.00 -1.06 0.00 0.00 38.32 37.17 1ref h ASN 157 CO -0.08 1.27 0.01 0.00 -1.06 0.00 0.00 177.43 177.57 1ref h ALA 158 N 0.67 0.95 -0.52 -0.83 0.00 -1.05 -2.06 119.26 116.43 1ref h ALA 158 Ca 0.02 -0.29 -0.11 0.00 0.00 0.00 0.00 54.91 54.53 1ref h ALA 158 Cb 1.10 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 18.65 1ref h ALA 158 CO 0.11 0.64 -0.11 -1.49 0.00 0.00 0.00 179.25 178.39 1ref h TRP 159 N 0.90 1.10 -0.31 0.00 6.55 -0.91 -2.80 115.95 120.47 1ref h TRP 159 Ca 0.17 -0.22 -0.03 0.00 0.95 0.00 0.00 58.89 59.75 1ref h TRP 159 Cb 0.51 -0.27 -0.02 0.00 -0.86 0.00 0.00 29.16 28.52 1ref h TRP 159 CO 0.03 1.03 0.05 0.00 -1.05 0.00 0.00 178.44 178.50 1ref h ALA 160 N 0.98 1.51 0.00 1.49 0.00 -0.87 -1.37 119.26 121.00 1ref h ALA 160 Ca 0.14 -0.15 -0.05 0.00 0.00 0.00 0.00 54.91 54.85 1ref h ALA 160 Cb 0.67 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.31 1ref h ALA 160 CO 0.05 0.36 -0.25 1.96 0.00 0.00 0.00 179.25 181.37 1ref h GLN 161 N 0.45 0.00 -0.07 0.00 4.20 -1.13 -2.77 115.11 115.80 1ref h GLN 161 Ca 0.11 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.82 1ref h GLN 161 Cb 0.22 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.00 1ref h GLN 161 CO 0.00 0.25 0.00 1.04 -0.67 0.00 0.00 178.83 179.45 1ref n GLN 162 N -3.43 1.76 0.00 1.46 1.13 -0.59 -4.91 117.38 112.80 1ref n GLN 162 Ca -0.00 -1.12 0.00 0.00 -1.94 0.00 0.00 57.00 53.94 1ref n GLN 162 Cb 0.44 -1.46 0.00 0.00 0.11 0.00 0.00 30.24 29.33 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 1.19 1.25 3.12 1.08 0.00 -1.04 -5.09 105.19 105.70 1ref n GLY 163 Ca 0.18 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.91 1ref n GLY 163 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1ref s LEU 164 N 0.00 1.87 -0.36 0.99 1.98 -0.78 -4.99 118.68 117.40 1ref s LEU 164 Ca 0.00 -0.45 0.02 0.00 -2.89 0.00 0.00 54.13 50.81 1ref s LEU 164 Cb 0.00 -1.15 0.11 0.00 0.66 0.00 0.00 46.19 45.80 1ref s LEU 164 CO 0.00 0.08 0.11 -0.89 -1.89 0.00 0.00 176.35 173.76 1ref s THR 165 N 0.60 1.80 0.40 3.68 2.01 -1.26 -3.62 115.64 119.25 1ref s THR 165 Ca -0.14 -2.19 -0.25 0.00 0.31 0.00 0.00 61.69 59.42 1ref s THR 165 Cb -0.17 -2.32 -0.08 0.00 0.01 0.00 0.00 72.50 69.94 1ref s THR 165 CO 0.05 -0.67 1.14 -0.76 -0.69 0.00 0.00 174.62 173.68 1ref s LEU 166 N 0.94 4.19 0.00 4.42 1.43 -1.26 -4.34 118.68 124.05 1ref s LEU 166 Ca 0.12 2.28 0.00 0.00 -1.03 0.00 0.00 54.13 55.50 1ref s LEU 166 Cb -0.20 -4.05 0.00 0.00 0.03 0.00 0.00 46.19 41.97 1ref s LEU 166 CO -0.12 -0.63 0.00 0.61 0.23 0.00 0.00 176.35 176.44 1ref n GLY 167 N 0.59 0.59 3.64 -3.19 0.00 -1.25 -4.88 105.19 100.69 1ref n GLY 167 Ca 0.04 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.64 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 2.35 4.81 0.02 2.61 2.01 -0.17 -4.85 115.64 122.41 1ref s THR 168 Ca 0.00 1.56 -0.30 0.00 0.31 0.00 0.00 61.69 63.25 1ref s THR 168 Cb 0.00 -4.14 -0.05 0.00 0.01 0.00 0.00 72.50 68.32 1ref s THR 168 CO 0.00 -0.12 1.21 -0.04 -0.69 0.00 0.00 174.62 174.98 1ref s MET 169 N 2.91 4.40 0.00 4.92 1.00 -1.26 -0.34 119.30 130.92 1ref s MET 169 Ca 0.35 1.74 0.00 0.00 0.00 0.00 0.00 55.69 57.79 1ref s MET 169 Cb -0.15 -3.44 0.00 0.00 0.00 0.00 0.00 34.83 31.24 1ref s MET 169 CO 0.08 -0.34 0.00 -3.47 0.00 0.00 0.00 175.02 171.29 1ref n ASP 170 N 4.47 0.00 -4.79 3.03 2.03 -0.72 -4.36 116.55 116.22 1ref n ASP 170 Ca 0.10 0.00 -0.33 0.00 0.52 0.00 0.00 54.79 55.07 1ref n ASP 170 Cb 0.46 0.00 0.02 0.00 -0.72 0.00 0.00 41.12 40.88 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 3.73 2.80 -0.21 -0.67 -0.85 -1.26 -0.86 117.35 120.04 1ref s TYR 171 Ca 0.00 1.54 -0.04 0.00 -0.52 0.00 0.00 57.07 58.05 1ref s TYR 171 Cb 0.00 -3.12 0.08 0.00 0.38 0.00 0.00 41.96 39.30 1ref s TYR 171 CO 0.00 -1.37 0.16 -1.14 -1.52 0.00 0.00 175.55 171.68 1ref s GLN 172 N -3.83 0.15 0.24 -3.49 0.74 -0.31 -2.37 119.66 110.78 1ref s GLN 172 Ca 0.67 -0.04 0.03 0.00 0.05 0.00 0.00 55.36 56.06 1ref s GLN 172 Cb -0.19 -1.42 -0.05 0.00 1.10 0.00 0.00 33.01 32.44 1ref s GLN 172 CO 0.35 -0.74 0.03 0.96 -0.55 0.00 0.00 175.29 175.34 1ref s ILE 173 N 2.22 0.89 -0.43 -2.34 -4.36 -0.07 -0.81 121.20 116.30 1ref s ILE 173 Ca 0.05 -2.01 -0.14 0.00 -0.26 0.00 0.00 60.65 58.29 1ref s ILE 173 Cb -0.16 -2.44 0.05 0.00 1.25 0.00 0.00 42.46 41.16 1ref s ILE 173 CO -0.16 -0.23 0.33 -0.69 0.24 0.00 0.00 174.94 174.43 1ref s VAL 174 N -3.51 5.10 0.19 8.37 1.01 -0.24 -0.53 120.40 130.79 1ref s VAL 174 Ca 0.31 -0.90 0.09 0.00 0.00 0.00 0.00 61.98 61.48 1ref s VAL 174 Cb 0.07 -3.94 -0.04 0.00 0.00 0.00 0.00 36.38 32.46 1ref s VAL 174 CO 0.10 -0.42 -0.10 0.00 0.00 0.00 0.00 175.10 174.67 1ref s ALA 175 N 1.63 2.92 -0.24 5.51 0.00 0.38 -3.07 121.76 128.90 1ref s ALA 175 Ca 0.04 -1.51 -0.03 0.00 0.00 0.00 0.00 51.96 50.47 1ref s ALA 175 Cb -0.21 -0.69 0.01 0.00 0.00 0.00 0.00 23.12 22.23 1ref s ALA 175 CO 0.08 0.45 -0.05 0.08 0.00 0.00 0.00 175.76 176.31 1ref s VAL 176 N -1.76 3.08 -0.09 0.00 1.01 -0.11 -1.55 120.40 120.98 1ref s VAL 176 Ca 0.25 -0.79 0.02 0.00 0.00 0.00 0.00 61.98 61.46 1ref s VAL 176 Cb -0.08 -2.48 -0.02 0.00 0.00 0.00 0.00 36.38 33.79 1ref s VAL 176 CO 0.15 0.30 -0.13 -0.70 0.00 0.00 0.00 175.10 174.72 1ref s GLU 177 N 1.39 2.93 0.08 2.72 2.12 -0.38 -1.93 118.70 125.64 1ref s GLU 177 Ca 0.03 -0.68 0.08 0.00 0.36 0.00 0.00 54.97 54.76 1ref s GLU 177 Cb -0.15 -2.51 -0.03 0.00 0.26 0.00 0.00 34.13 31.70 1ref s GLU 177 CO -0.04 0.43 -0.22 0.20 -0.54 0.00 0.00 175.26 175.09 1ref s GLY 178 N -0.22 1.27 -0.35 -1.50 0.00 -0.69 -0.57 107.32 105.26 1ref s GLY 178 Ca 0.01 -1.23 -0.00 0.00 0.00 0.00 0.00 44.72 43.50 1ref s GLY 178 CO 0.03 -1.19 0.15 -0.47 0.00 0.00 0.00 173.10 171.62 1ref s TYR 179 N -0.99 1.51 -1.23 1.90 5.04 -0.59 -1.99 117.35 121.01 1ref s TYR 179 Ca 0.09 -1.82 -0.18 0.00 -2.44 0.00 0.00 57.07 52.71 1ref s TYR 179 Cb -0.10 -1.58 0.00 0.00 0.35 0.00 0.00 41.96 40.64 1ref s TYR 179 CO 0.04 -0.84 0.67 1.19 -1.34 0.00 0.00 175.55 175.26 1ref n PHE 180 N 4.44 -1.73 -2.78 4.97 3.01 -0.07 -4.42 117.46 120.87 1ref n PHE 180 Ca 0.02 0.45 0.00 0.00 1.01 0.00 0.00 57.45 58.93 1ref n PHE 180 Cb 0.39 -3.36 0.00 0.00 -0.01 0.00 0.00 39.48 36.50 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 -2.65 0.00 -4.16 4.37 3.41 -1.26 -4.77 113.62 108.56 1ref n SER 181 Ca -0.15 0.00 -0.11 0.00 -0.26 0.00 0.00 58.87 58.35 1ref n SER 181 Cb 0.61 0.00 -0.10 0.00 -0.26 0.00 0.00 64.21 64.46 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 1.15 0.23 0.00 4.04 0.01 -0.95 -1.35 113.70 116.82 1ref s SER 182 Ca 0.00 -1.27 0.00 0.00 1.31 0.00 0.00 55.95 55.99 1ref s SER 182 Cb 0.00 0.34 0.00 0.00 0.21 0.00 0.00 66.02 66.57 1ref s SER 182 CO 0.00 -0.79 0.00 0.61 0.41 0.00 0.00 173.24 173.47 1ref n GLY 183 N -0.17 -0.75 3.38 3.44 0.00 -0.07 0.08 105.19 111.11 1ref n GLY 183 Ca -0.02 -1.51 -0.13 0.00 0.00 0.00 0.00 46.02 44.36 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 -2.93 -0.42 -0.16 1.61 1.04 -0.82 -1.28 113.70 110.74 1ref s SER 184 Ca 0.00 0.09 -0.29 0.00 0.48 0.00 0.00 55.95 56.23 1ref s SER 184 Cb 0.00 0.50 0.10 0.00 0.10 0.00 0.00 66.02 66.72 1ref s SER 184 CO 0.00 -0.76 0.86 0.00 0.98 0.00 0.00 173.24 174.32 1ref s ALA 185 N -2.77 -1.86 -0.25 5.32 0.00 0.26 -0.51 121.76 121.94 1ref s ALA 185 Ca -0.03 1.61 -0.04 0.00 0.00 0.00 0.00 51.96 53.49 1ref s ALA 185 Cb -0.00 -0.66 0.09 0.00 0.00 0.00 0.00 23.12 22.55 1ref s ALA 185 CO -0.04 -0.32 0.14 -1.12 0.00 0.00 0.00 175.76 174.42 1ref s SER 186 N -0.71 2.86 0.01 0.00 0.01 -0.13 -0.78 113.70 114.95 1ref s SER 186 Ca -0.04 -0.97 0.07 0.00 1.31 0.00 0.00 55.95 56.33 1ref s SER 186 Cb -0.02 -0.18 -0.03 0.00 0.21 0.00 0.00 66.02 66.00 1ref s SER 186 CO 0.03 -0.40 -0.21 -0.63 0.41 0.00 0.00 173.24 172.44 1ref s ILE 187 N 2.15 2.56 -0.14 1.44 -1.09 -0.74 -1.23 121.20 124.17 1ref s ILE 187 Ca 0.07 -1.12 0.02 0.00 -2.23 0.00 0.00 60.65 57.40 1ref s ILE 187 Cb -0.16 -2.01 0.01 0.00 -1.58 0.00 0.00 42.46 38.72 1ref s ILE 187 CO -0.27 0.44 -0.22 -0.89 -1.23 0.00 0.00 174.94 172.78 1ref s THR 188 N -0.80 2.03 -0.02 2.92 2.01 0.40 -1.57 115.64 120.61 1ref s THR 188 Ca 0.12 -0.96 -0.02 0.00 0.31 0.00 0.00 61.69 61.14 1ref s THR 188 Cb -0.10 -1.80 -0.04 0.00 0.01 0.00 0.00 72.50 70.57 1ref s THR 188 CO 0.02 0.54 0.13 -0.69 -0.69 0.00 0.00 174.62 173.94 1ref s VAL 189 N 0.83 5.09 0.00 3.82 1.01 0.46 -1.85 120.40 129.77 1ref s VAL 189 Ca -0.07 -0.24 0.00 0.00 0.00 0.00 0.00 61.98 61.67 1ref s VAL 189 Cb -0.15 -3.34 0.00 0.00 0.00 0.00 0.00 36.38 32.89 1ref s VAL 189 CO -0.02 0.37 0.00 -1.20 0.00 0.00 0.00 175.10 174.25