#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3aad s ALA 2 N 0.00 2.29 0.07 3.04 0.00 -1.26 -4.95 121.76 120.94 3aad s ALA 2 Ca 0.00 -0.18 -0.20 0.00 0.00 0.00 0.00 51.96 51.58 3aad s ALA 2 Cb 0.00 -4.22 -0.10 0.00 0.00 0.00 0.00 23.12 18.80 3aad s ALA 2 CO 0.00 -3.60 1.51 0.87 0.00 0.00 0.00 175.76 174.54 3aad h LYS 3 N 15.33 0.35 -6.33 0.00 1.57 -1.98 -3.45 116.57 122.05 3aad h LYS 3 Ca -0.29 -0.11 -0.68 0.00 -1.87 0.00 0.00 60.65 57.70 3aad h LYS 3 Cb 1.19 -0.03 -0.20 0.00 0.08 0.00 0.00 32.23 33.27 3aad h LYS 3 CO 1.14 0.54 -0.74 0.08 -0.57 0.00 0.00 179.45 179.91 3aad s VAL 4 N -5.01 3.37 -0.03 0.50 1.01 -1.26 -2.52 120.40 116.46 3aad s VAL 4 Ca -0.14 -0.79 0.04 0.00 0.00 0.00 0.00 61.98 61.09 3aad s VAL 4 Cb 0.07 -2.41 -0.01 0.00 0.00 0.00 0.00 36.38 34.03 3aad s VAL 4 CO 0.73 0.46 -0.15 -1.58 0.00 0.00 0.00 175.10 174.56 3aad s GLN 5 N -1.17 1.41 -0.04 2.72 0.74 0.18 -4.98 119.66 118.52 3aad s GLN 5 Ca 0.15 -0.54 -0.22 0.00 0.05 0.00 0.00 55.36 54.80 3aad s GLN 5 Cb -0.11 -1.29 -0.05 0.00 1.10 0.00 0.00 33.01 32.66 3aad s GLN 5 CO 0.05 0.27 0.63 0.08 -0.55 0.00 0.00 175.29 175.76 3aad s VAL 6 N -0.12 4.99 -0.24 1.34 1.01 -1.26 0.33 120.40 126.44 3aad s VAL 6 Ca 0.01 1.31 0.09 0.00 0.00 0.00 0.00 61.98 63.38 3aad s VAL 6 Cb -0.08 -3.97 -0.20 0.00 0.00 0.00 0.00 36.38 32.12 3aad s VAL 6 CO 0.01 0.34 -0.11 0.59 0.00 0.00 0.00 175.10 175.93 3aad n ASN 7 N 3.28 1.17 -3.47 3.32 3.02 0.66 -4.95 115.26 118.29 3aad n ASN 7 Ca -0.04 -0.08 -0.13 0.00 -0.03 0.00 0.00 54.58 54.29 3aad n ASN 7 Cb 0.51 0.16 -0.03 0.00 -0.61 0.00 0.00 39.78 39.81 3aad n ASN 7 CO 0.00 0.00 0.00 0.21 -2.62 0.00 0.00 177.26 174.85 3aad s ASN 8 N -6.10 -0.55 0.16 6.41 2.47 -0.92 -5.01 114.94 111.39 3aad s ASN 8 Ca -0.25 0.14 0.11 0.00 0.42 0.00 0.00 52.86 53.28 3aad s ASN 8 Cb 0.08 0.57 -0.04 0.00 -1.45 0.00 0.00 41.25 40.40 3aad s ASN 8 CO 0.69 -0.86 -0.24 -0.69 -3.72 0.00 0.00 177.10 172.28 3aad s VAL 9 N -3.10 2.40 -0.06 -5.21 1.01 -1.26 -0.58 120.40 113.60 3aad s VAL 9 Ca -0.02 -1.84 0.01 0.00 0.00 0.00 0.00 61.98 60.14 3aad s VAL 9 Cb -0.01 -2.11 0.02 0.00 0.00 0.00 0.00 36.38 34.29 3aad s VAL 9 CO -0.07 0.00 -0.08 -0.69 0.00 0.00 0.00 175.10 174.26 3aad s VAL 10 N -1.34 0.81 -0.12 2.92 1.01 -1.20 -4.94 120.40 117.54 3aad s VAL 10 Ca 0.18 -0.27 -0.28 0.00 0.00 0.00 0.00 61.98 61.60 3aad s VAL 10 Cb -0.09 -0.79 -0.01 0.00 0.00 0.00 0.00 36.38 35.48 3aad s VAL 10 CO 0.08 0.29 0.95 -0.69 0.00 0.00 0.00 175.10 175.73 3aad s VAL 11 N 0.90 4.82 0.29 2.92 1.01 -1.26 -0.55 120.40 128.52 3aad s VAL 11 Ca -0.11 1.92 0.08 0.00 0.00 0.00 0.00 61.98 63.86 3aad s VAL 11 Cb -0.15 -4.26 -0.03 0.00 0.00 0.00 0.00 36.38 31.94 3aad s VAL 11 CO 0.01 0.03 0.19 -0.76 0.00 0.00 0.00 175.10 174.57 3aad s LEU 12 N 1.96 3.58 -1.50 3.92 1.43 -0.51 -4.66 118.68 122.90 3aad s LEU 12 Ca 0.45 -0.45 -0.08 0.00 -1.03 0.00 0.00 54.13 53.02 3aad s LEU 12 Cb -0.18 -2.13 0.06 0.00 0.03 0.00 0.00 46.19 43.97 3aad s LEU 12 CO 0.17 -0.17 0.66 -0.67 0.23 0.00 0.00 176.35 176.58 3aad n ASP 13 N -1.20 -2.09 -4.23 2.29 4.64 -1.26 -4.45 116.55 110.26 3aad n ASP 13 Ca -0.05 -0.94 -0.29 0.00 -1.38 0.00 0.00 54.79 52.13 3aad n ASP 13 Cb 0.59 -3.27 -0.16 0.00 -1.04 0.00 0.00 41.12 37.24 3aad n ASP 13 CO 0.00 0.00 0.00 0.21 -0.82 0.00 0.00 177.20 176.59 3aad s ASN 14 N -3.88 2.67 0.93 1.67 3.04 -1.26 -3.96 114.94 114.16 3aad s ASN 14 Ca 0.33 -0.43 -0.15 0.00 0.04 0.00 0.00 52.86 52.65 3aad s ASN 14 Cb -0.17 -0.59 0.18 0.00 -1.54 0.00 0.00 41.25 39.13 3aad s ASN 14 CO 0.88 0.23 1.29 -2.16 -3.04 0.00 0.00 177.10 174.30 3aad s PRO 15 N -0.23 0.84 0.24 0.43 0.04 -1.26 -5.04 135.00 130.02 3aad s PRO 15 Ca 0.01 -0.40 -0.22 0.00 0.04 0.00 0.00 61.00 60.43 3aad s PRO 15 Cb -0.11 -1.89 0.03 0.00 0.04 0.00 0.00 34.50 32.57 3aad s PRO 15 CO 0.02 -2.27 0.77 -1.54 0.04 0.00 0.00 177.00 174.01 3aad s SER 16 N -4.85 -0.25 0.06 6.66 1.04 -0.24 -4.99 113.70 111.12 3aad s SER 16 Ca 0.72 -0.54 -0.31 0.00 0.48 0.00 0.00 55.95 56.30 3aad s SER 16 Cb -0.05 0.67 -0.17 0.00 0.10 0.00 0.00 66.02 66.58 3aad s SER 16 CO 0.52 -1.23 0.78 -2.65 0.98 0.00 0.00 173.24 171.64 3aad n PRO 17 N -0.46 0.00 -0.23 4.02 -0.02 -1.26 0.14 135.00 137.19 3aad n PRO 17 Ca -0.05 0.00 0.14 0.00 -2.02 0.00 0.00 63.50 61.57 3aad n PRO 17 Cb 0.60 -1.17 0.44 0.00 -0.02 0.00 0.00 33.50 33.35 3aad n PRO 17 CO 0.00 0.00 0.00 0.35 1.98 0.00 0.00 175.50 177.83 3aad h PHE 18 N 2.06 0.66 0.00 6.00 3.57 -1.80 -2.74 116.94 124.69 3aad h PHE 18 Ca -0.38 0.02 -0.02 0.00 3.53 0.00 0.00 57.97 61.12 3aad h PHE 18 Cb 1.25 -0.21 -0.00 0.00 2.79 0.00 0.00 35.95 39.78 3aad h PHE 18 CO 0.45 0.23 -0.11 1.88 -2.23 0.00 0.00 178.31 178.53 3aad h TYR 19 N 0.55 0.00 -3.31 0.41 -1.99 -1.88 -3.46 116.97 107.29 3aad h TYR 19 Ca 0.43 0.00 -0.58 0.00 2.00 0.00 0.00 58.73 60.58 3aad h TYR 19 Cb 0.85 0.00 0.17 0.00 2.00 0.00 0.00 36.73 39.75 3aad h TYR 19 CO -0.00 0.11 -0.10 0.09 -0.00 0.00 0.00 178.16 178.26 3aad n ASN 20 N -3.16 -0.03 -4.77 3.88 5.03 -1.04 -4.25 115.26 110.92 3aad n ASN 20 Ca 0.02 0.77 -0.38 0.00 0.87 0.00 0.00 54.58 55.87 3aad n ASN 20 Cb 0.49 -1.29 -0.05 0.00 -1.02 0.00 0.00 39.78 37.91 3aad n ASN 20 CO 0.00 0.00 0.00 -2.16 -1.83 0.00 0.00 177.26 173.27 3aad s PRO 21 N -2.47 4.44 0.44 3.52 0.04 -1.26 -4.32 135.00 135.38 3aad s PRO 21 Ca 0.73 1.53 -0.23 0.00 0.04 0.00 0.00 61.00 63.07 3aad s PRO 21 Cb -0.43 -2.82 -0.11 0.00 0.04 0.00 0.00 34.50 31.19 3aad s PRO 21 CO 0.50 0.10 0.86 1.19 0.04 0.00 0.00 177.00 179.69 3aad n PHE 22 N 0.51 0.61 -3.87 0.56 3.72 -0.58 -4.82 117.46 113.58 3aad n PHE 22 Ca 0.02 0.56 -0.20 0.00 -0.05 0.00 0.00 57.45 57.78 3aad n PHE 22 Cb 0.48 -2.14 -0.17 0.00 -0.94 0.00 0.00 39.48 36.71 3aad n PHE 22 CO 0.00 0.00 0.00 -0.65 -0.05 0.00 0.00 176.76 176.06 3aad s GLN 23 N -1.96 0.41 -0.09 -1.08 -0.21 -1.26 -2.14 119.66 113.33 3aad s GLN 23 Ca 0.65 0.11 0.03 0.00 0.02 0.00 0.00 55.36 56.16 3aad s GLN 23 Cb -0.56 -0.69 0.01 0.00 1.00 0.00 0.00 33.01 32.78 3aad s GLN 23 CO 0.56 -0.21 -0.16 -0.06 -2.12 0.00 0.00 175.29 173.30 3aad s PHE 24 N 1.47 1.94 -1.26 0.91 0.08 -1.07 -1.42 117.98 118.63 3aad s PHE 24 Ca -0.03 -0.82 -0.09 0.00 0.12 0.00 0.00 56.93 56.11 3aad s PHE 24 Cb -0.13 -1.37 0.18 0.00 -0.57 0.00 0.00 43.02 41.13 3aad s PHE 24 CO -0.03 -0.39 1.80 -1.91 -0.10 0.00 0.00 175.22 174.60 3aad n GLU 25 N 3.87 3.66 -2.08 0.44 2.13 0.28 0.46 120.64 129.41 3aad n GLU 25 Ca -0.21 -3.64 -0.41 0.00 0.66 0.00 0.00 57.16 53.57 3aad n GLU 25 Cb 0.52 -2.90 -0.02 0.00 0.27 0.00 0.00 31.44 29.31 3aad n GLU 25 CO 0.00 0.00 0.00 0.42 -0.41 0.00 0.00 177.13 177.14 3aad s ILE 26 N 0.25 2.64 -0.18 6.31 1.01 -0.38 -3.23 121.20 127.62 3aad s ILE 26 Ca 0.39 0.65 -0.00 0.00 0.00 0.00 0.00 60.65 61.69 3aad s ILE 26 Cb 0.08 -3.41 0.04 0.00 0.01 0.00 0.00 42.46 39.18 3aad s ILE 26 CO 0.01 0.15 -0.07 -0.89 0.00 0.00 0.00 174.94 174.15 3aad s THR 27 N -1.10 1.30 0.30 2.92 2.01 0.25 -0.81 115.64 120.51 3aad s THR 27 Ca 0.50 -0.78 0.04 0.00 0.31 0.00 0.00 61.69 61.76 3aad s THR 27 Cb -0.41 -1.45 -0.06 0.00 0.01 0.00 0.00 72.50 70.60 3aad s THR 27 CO 0.54 0.13 0.02 0.72 -0.69 0.00 0.00 174.62 175.33 3aad s PHE 28 N 1.55 1.89 0.03 4.92 -0.12 0.14 0.24 117.98 126.62 3aad s PHE 28 Ca -0.00 -0.88 0.02 0.00 -0.05 0.00 0.00 56.93 56.01 3aad s PHE 28 Cb -0.16 -1.17 -0.02 0.00 -0.63 0.00 0.00 43.02 41.04 3aad s PHE 28 CO -0.08 0.07 -0.06 -2.00 -0.05 0.00 0.00 175.22 173.10 3aad s GLU 29 N -3.84 0.44 -0.12 1.99 2.12 0.15 -0.10 118.70 119.34 3aad s GLU 29 Ca 0.33 -0.56 -0.09 0.00 0.36 0.00 0.00 54.97 55.02 3aad s GLU 29 Cb 0.07 -0.24 0.04 0.00 0.26 0.00 0.00 34.13 34.26 3aad s GLU 29 CO 0.13 0.05 0.31 0.00 -0.54 0.00 0.00 175.26 175.21 3aad h ILE 31 N 5.24 1.49 -2.36 0.00 3.07 -1.78 0.67 117.51 123.84 3aad h ILE 31 Ca -0.33 -1.62 -0.45 0.00 1.55 0.00 0.00 64.86 64.00 3aad h ILE 31 Cb 1.18 2.50 0.01 0.00 -0.27 0.00 0.00 36.82 40.24 3aad h ILE 31 CO 0.33 0.44 -0.23 -1.83 -1.05 0.00 0.00 178.15 175.81 3aad s GLU 32 N -3.58 3.18 0.00 0.16 -1.05 -1.26 -4.49 118.70 111.65 3aad s GLU 32 Ca -0.16 -0.68 0.00 0.00 -0.15 0.00 0.00 54.97 53.98 3aad s GLU 32 Cb 0.01 -2.70 0.00 0.00 -0.44 0.00 0.00 34.13 31.00 3aad s GLU 32 CO 0.71 -0.02 0.00 -0.25 0.95 0.00 0.00 175.26 176.65 3aad n ASP 33 N -1.82 -1.16 -3.62 0.83 8.00 -1.26 -3.73 116.55 113.79 3aad n ASP 33 Ca -0.01 0.00 -0.16 0.00 0.71 0.00 0.00 54.79 55.33 3aad n ASP 33 Cb 0.58 0.00 -0.07 0.00 -0.02 0.00 0.00 41.12 41.60 3aad n ASP 33 CO 0.00 0.00 0.00 -0.22 -0.39 0.00 0.00 177.20 176.59 3aad s LEU 34 N 0.00 -0.24 0.33 0.64 2.96 0.14 -4.66 118.68 117.84 3aad s LEU 34 Ca 0.00 0.74 -0.09 0.00 -0.22 0.00 0.00 54.13 54.57 3aad s LEU 34 Cb 0.00 2.14 -0.06 0.00 0.50 0.00 0.00 46.19 48.76 3aad s LEU 34 CO 0.00 -0.45 0.65 -0.94 -1.32 0.00 0.00 176.35 174.29 3aad s SER 35 N -0.75 6.53 -0.53 3.68 1.04 -1.26 -2.72 113.70 119.68 3aad s SER 35 Ca -0.08 0.95 -0.10 0.00 0.48 0.00 0.00 55.95 57.20 3aad s SER 35 Cb -0.02 -2.24 -0.14 0.00 0.10 0.00 0.00 66.02 63.71 3aad s SER 35 CO 0.06 -0.25 1.64 1.21 0.98 0.00 0.00 173.24 176.87 3aad n GLU 36 N -0.90 0.07 0.00 4.02 2.13 -1.26 -4.51 120.64 120.19 3aad n GLU 36 Ca 0.01 -0.43 0.00 0.00 0.66 0.00 0.00 57.16 57.40 3aad n GLU 36 Cb 0.54 -1.86 0.00 0.00 0.27 0.00 0.00 31.44 30.39 3aad n GLU 36 CO 0.00 0.00 0.00 -0.25 -0.41 0.00 0.00 177.13 176.47 3aad n ASP 37 N 9.28 0.53 -2.87 4.31 8.00 -1.21 -4.90 116.55 129.69 3aad n ASP 37 Ca 0.29 0.00 -0.13 0.00 0.71 0.00 0.00 54.79 55.66 3aad n ASP 37 Cb 0.40 0.07 0.10 0.00 -0.02 0.00 0.00 41.12 41.66 3aad n ASP 37 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 3aad n LEU 38 N -0.53 0.00 -2.69 0.64 4.77 0.32 -2.92 117.00 116.59 3aad n LEU 38 Ca 0.00 -0.63 0.02 0.00 -0.03 0.00 0.00 56.01 55.36 3aad n LEU 38 Cb 0.04 -0.46 0.01 0.00 -2.33 0.00 0.00 43.42 40.68 3aad n LEU 38 CO 0.00 -1.02 0.53 -0.70 -1.33 0.00 0.00 177.39 174.88 3aad s GLU 39 N -4.28 0.06 -0.16 3.23 2.56 -0.87 -3.66 118.70 115.58 3aad s GLU 39 Ca 0.34 -0.02 -0.08 0.00 0.00 0.00 0.00 54.97 55.20 3aad s GLU 39 Cb -0.01 0.01 -0.04 0.00 2.00 0.00 0.00 34.13 36.08 3aad s GLU 39 CO 0.24 -0.09 0.11 -1.58 -0.56 0.00 0.00 175.26 173.38 3aad s TRP 40 N 1.96 3.42 -0.07 5.30 0.52 0.50 -1.03 118.94 129.54 3aad s TRP 40 Ca 0.14 0.33 0.01 0.00 0.02 0.00 0.00 56.10 56.60 3aad s TRP 40 Cb 0.05 -2.05 0.02 0.00 -1.15 0.00 0.00 33.47 30.33 3aad s TRP 40 CO -0.16 0.41 -0.09 0.15 0.02 0.00 0.00 176.95 177.28 3aad s LYS 41 N -0.14 1.44 -0.35 4.98 1.02 0.34 -1.66 119.74 125.37 3aad s LYS 41 Ca 0.09 -0.29 -0.17 0.00 0.02 0.00 0.00 55.97 55.62 3aad s LYS 41 Cb -0.12 -1.31 -0.00 0.00 -0.52 0.00 0.00 37.83 35.88 3aad s LYS 41 CO 0.01 -0.07 0.45 0.42 -0.92 0.00 0.00 175.35 175.23 3aad s ILE 42 N 1.00 5.07 -0.08 2.17 1.01 -1.17 0.14 121.20 129.34 3aad s ILE 42 Ca -0.09 0.18 -0.03 0.00 0.00 0.00 0.00 60.65 60.72 3aad s ILE 42 Cb -0.15 -3.92 -0.04 0.00 0.01 0.00 0.00 42.46 38.37 3aad s ILE 42 CO -0.00 -0.19 0.04 -0.63 0.00 0.00 0.00 174.94 174.16 3aad s ILE 43 N 2.24 4.63 -0.58 2.92 1.09 0.15 0.65 121.20 132.31 3aad s ILE 43 Ca 0.16 -0.19 -0.09 0.00 -1.10 0.00 0.00 60.65 59.43 3aad s ILE 43 Cb -0.16 -2.99 0.15 0.00 -1.06 0.00 0.00 42.46 38.40 3aad s ILE 43 CO 0.13 0.56 0.45 -0.47 -0.10 0.00 0.00 174.94 175.51 3aad s TYR 44 N -0.97 3.48 -1.27 3.97 6.14 0.08 0.16 117.35 128.94 3aad s TYR 44 Ca 0.15 -2.07 -0.12 0.00 0.64 0.00 0.00 57.07 55.67 3aad s TYR 44 Cb -0.12 -3.51 0.15 0.00 0.42 0.00 0.00 41.96 38.90 3aad s TYR 44 CO 0.05 -0.96 1.72 0.28 0.64 0.00 0.00 175.55 177.27 3aad n VAL 45 N 4.42 4.19 -0.37 3.14 0.31 0.77 -3.09 118.33 127.69 3aad n VAL 45 Ca -0.00 -4.37 -0.12 0.00 -0.01 0.00 0.00 64.34 59.84 3aad n VAL 45 Cb 0.41 -2.42 0.14 0.00 -0.91 0.00 0.00 33.84 31.06 3aad n VAL 45 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3aad n GLY 46 N 3.71 3.37 2.31 2.92 0.00 -1.26 -1.84 105.19 114.40 3aad n GLY 46 Ca 0.41 -0.67 -0.16 0.00 0.00 0.00 0.00 46.02 45.60 3aad n GLY 46 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 3aad n SER 47 N -0.37 0.09 0.00 1.61 7.64 -1.26 -4.82 113.62 116.52 3aad n SER 47 Ca 0.34 -3.15 0.00 0.00 1.01 0.00 0.00 58.87 57.07 3aad n SER 47 Cb 1.17 -0.05 0.00 0.00 -1.01 0.00 0.00 64.21 64.32 3aad n SER 47 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3aad n ALA 48 N 0.35 0.00 -0.09 -0.43 0.00 -1.26 -0.52 120.51 118.57 3aad n ALA 48 Ca 0.21 0.00 -0.13 0.00 0.00 0.00 0.00 53.44 53.51 3aad n ALA 48 Cb 0.66 0.00 -0.14 0.00 0.00 0.00 0.00 19.45 19.97 3aad n ALA 48 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 3aad n GLU 49 N -0.09 0.68 -4.07 0.00 1.02 -1.26 -5.01 120.64 111.91 3aad n GLU 49 Ca 0.00 0.11 -0.21 0.00 -0.02 0.00 0.00 57.16 57.04 3aad n GLU 49 Cb 0.00 -1.58 -0.17 0.00 -0.02 0.00 0.00 31.44 29.67 3aad n GLU 49 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 3aad s SER 50 N -6.05 1.16 0.00 1.62 0.15 0.33 -5.04 113.70 105.87 3aad s SER 50 Ca -0.18 -0.13 0.28 0.00 0.70 0.00 0.00 55.95 56.62 3aad s SER 50 Cb 0.07 -0.47 1.19 0.00 -1.71 0.00 0.00 66.02 65.10 3aad s SER 50 CO 0.75 -0.09 1.90 1.21 1.20 0.00 0.00 173.24 178.21 3aad n GLU 51 N 4.32 0.00 0.13 5.44 2.13 -1.26 -2.18 120.64 129.23 3aad n GLU 51 Ca -0.20 0.02 0.11 0.00 0.66 0.00 0.00 57.16 57.75 3aad n GLU 51 Cb 0.51 -1.50 0.50 0.00 0.27 0.00 0.00 31.44 31.21 3aad n GLU 51 CO 0.00 0.00 0.00 -1.91 -0.41 0.00 0.00 177.13 174.81 3aad n GLU 52 N -1.51 0.17 -3.34 5.31 2.13 -1.26 -3.80 120.64 118.35 3aad n GLU 52 Ca 0.07 0.47 -0.29 0.00 0.66 0.00 0.00 57.16 58.07 3aad n GLU 52 Cb 0.33 -1.87 -0.07 0.00 0.27 0.00 0.00 31.44 30.10 3aad n GLU 52 CO 0.00 0.00 0.00 0.66 -0.41 0.00 0.00 177.13 177.38 3aad n TYR 53 N -2.20 3.52 -3.70 4.31 0.53 -0.93 -4.99 117.16 113.70 3aad n TYR 53 Ca 0.01 -3.95 -0.12 0.00 -1.02 0.00 0.00 57.90 52.82 3aad n TYR 53 Cb 0.17 -0.64 -0.10 0.00 -1.03 0.00 0.00 39.34 37.74 3aad n TYR 53 CO 0.00 0.00 0.00 0.16 -1.02 0.00 0.00 176.86 176.00 3aad s ASP 54 N -2.47 -0.53 0.08 7.72 -4.77 -1.25 -3.99 116.67 111.47 3aad s ASP 54 Ca 0.40 0.96 0.02 0.00 -3.30 0.00 0.00 52.55 50.62 3aad s ASP 54 Cb 0.15 0.91 -0.04 0.00 -1.09 0.00 0.00 42.92 42.84 3aad s ASP 54 CO -0.01 -0.18 0.13 0.00 0.70 0.00 0.00 175.17 175.81 3aad s GLN 55 N 0.80 3.07 -0.16 2.11 -2.07 -1.18 -4.93 119.66 117.31 3aad s GLN 55 Ca -0.04 -0.61 -0.19 0.00 -1.82 0.00 0.00 55.36 52.69 3aad s GLN 55 Cb -0.05 -2.83 -0.03 0.00 -1.09 0.00 0.00 33.01 29.00 3aad s GLN 55 CO -0.06 0.58 0.55 0.14 -1.32 0.00 0.00 175.29 175.17 3aad s VAL 56 N -1.44 5.11 -0.06 3.63 -7.23 -1.26 -0.75 120.40 118.40 3aad s VAL 56 Ca 0.31 1.05 0.12 0.00 -1.81 0.00 0.00 61.98 61.65 3aad s VAL 56 Cb -0.12 -3.88 -0.23 0.00 0.56 0.00 0.00 36.38 32.71 3aad s VAL 56 CO 0.24 0.23 0.58 0.18 -0.31 0.00 0.00 175.10 176.02 3aad n LEU 57 N 4.33 0.94 -3.51 1.32 4.77 0.21 -4.96 117.00 120.09 3aad n LEU 57 Ca -0.04 0.36 -0.13 0.00 -0.03 0.00 0.00 56.01 56.16 3aad n LEU 57 Cb 0.51 0.10 -0.04 0.00 -2.33 0.00 0.00 43.42 41.65 3aad n LEU 57 CO 0.43 0.44 0.56 -0.62 -1.33 0.00 0.00 177.39 176.86 3aad s ASP 58 N -6.11 -0.52 -0.08 -1.43 2.15 -1.24 -4.57 116.67 104.86 3aad s ASP 58 Ca -0.07 0.39 0.04 0.00 0.43 0.00 0.00 52.55 53.34 3aad s ASP 58 Cb 0.08 0.47 -0.01 0.00 -0.30 0.00 0.00 42.92 43.15 3aad s ASP 58 CO 0.82 -0.61 -0.21 -0.55 -0.17 0.00 0.00 175.17 174.44 3aad s SER 59 N -1.68 3.37 -0.03 -0.34 0.15 -1.26 -3.06 113.70 110.85 3aad s SER 59 Ca -0.04 -0.46 -0.01 0.00 0.70 0.00 0.00 55.95 56.15 3aad s SER 59 Cb -0.00 -1.18 0.03 0.00 -1.71 0.00 0.00 66.02 63.16 3aad s SER 59 CO 0.00 0.21 0.03 -0.69 1.20 0.00 0.00 173.24 174.00 3aad s VAL 60 N 0.04 -0.02 -1.02 4.45 1.01 -0.66 -4.99 120.40 119.21 3aad s VAL 60 Ca -0.08 0.25 -0.12 0.00 0.00 0.00 0.00 61.98 62.03 3aad s VAL 60 Cb -0.15 -0.15 0.24 0.00 0.00 0.00 0.00 36.38 36.33 3aad s VAL 60 CO 0.05 0.13 1.02 -0.76 0.00 0.00 0.00 175.10 175.55 3aad s LEU 61 N 1.39 6.33 0.01 3.92 1.02 -1.26 -0.37 118.68 129.72 3aad s LEU 61 Ca -0.05 -3.19 -0.30 0.00 0.02 0.00 0.00 54.13 50.61 3aad s LEU 61 Cb -0.13 -2.23 -0.04 0.00 0.02 0.00 0.00 46.19 43.81 3aad s LEU 61 CO -0.03 -0.45 1.12 -0.69 0.02 0.00 0.00 176.35 176.32 3aad s VAL 62 N -0.40 4.39 0.00 -1.59 1.01 -1.24 -4.90 120.40 117.67 3aad s VAL 62 Ca 0.27 1.71 0.00 0.00 0.00 0.00 0.00 61.98 63.97 3aad s VAL 62 Cb -0.09 -4.10 0.00 0.00 0.00 0.00 0.00 36.38 32.19 3aad s VAL 62 CO -0.08 0.10 0.00 0.61 0.00 0.00 0.00 175.10 175.74 3aad n GLY 63 N 3.13 4.27 3.82 4.51 0.00 -1.26 -0.52 105.19 119.13 3aad n GLY 63 Ca 0.08 -1.40 -0.33 0.00 0.00 0.00 0.00 46.02 44.38 3aad n GLY 63 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3aad s PRO 64 N -4.02 4.13 -0.03 1.61 0.04 -1.26 -4.51 135.00 130.96 3aad s PRO 64 Ca 0.00 1.15 -0.03 0.00 0.04 0.00 0.00 61.00 62.16 3aad s PRO 64 Cb 0.00 -2.16 0.01 0.00 0.04 0.00 0.00 34.50 32.39 3aad s PRO 64 CO 0.00 -0.12 0.08 0.08 0.04 0.00 0.00 177.00 177.08 3aad s VAL 65 N -2.18 -0.00 0.78 -0.36 1.01 -1.10 -4.94 120.40 113.61 3aad s VAL 65 Ca 0.63 0.01 -0.11 0.00 0.00 0.00 0.00 61.98 62.50 3aad s VAL 65 Cb -0.10 -0.12 0.06 0.00 0.00 0.00 0.00 36.38 36.21 3aad s VAL 65 CO 0.15 0.00 1.08 -2.16 0.00 0.00 0.00 175.10 174.18 3aad s PRO 66 N 0.09 2.22 0.75 2.72 0.04 -1.26 0.23 135.00 139.80 3aad s PRO 66 Ca -0.00 0.83 -0.15 0.00 0.04 0.00 0.00 61.00 61.71 3aad s PRO 66 Cb -0.01 -1.92 0.01 0.00 0.04 0.00 0.00 34.50 32.62 3aad s PRO 66 CO -0.00 -1.57 0.84 0.00 0.04 0.00 0.00 177.00 176.31 3aad n ALA 67 N -3.43 -0.73 0.00 8.56 0.00 -1.24 -4.70 120.51 118.97 3aad n ALA 67 Ca 0.07 -0.26 0.00 0.00 0.00 0.00 0.00 53.44 53.26 3aad n ALA 67 Cb 0.55 -2.04 0.00 0.00 0.00 0.00 0.00 19.45 17.96 3aad n ALA 67 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3aad n GLY 68 N 1.19 -0.40 3.57 0.00 0.00 0.23 -4.90 105.19 104.87 3aad n GLY 68 Ca 0.12 -1.97 -0.34 0.00 0.00 0.00 0.00 46.02 43.83 3aad n GLY 68 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 3aad s ARG 69 N 0.00 3.08 -0.02 1.61 3.52 -1.26 -0.19 118.95 125.69 3aad s ARG 69 Ca 0.00 -0.52 0.00 0.00 -0.13 0.00 0.00 55.73 55.08 3aad s ARG 69 Cb 0.00 -2.72 0.02 0.00 -1.56 0.00 0.00 34.95 30.69 3aad s ARG 69 CO 0.00 0.53 0.02 -1.01 -0.81 0.00 0.00 175.30 174.03 3aad s HIS 70 N -0.44 0.10 -0.01 5.12 3.76 0.86 -4.99 115.29 119.68 3aad s HIS 70 Ca 0.07 0.08 0.08 0.00 -0.15 0.00 0.00 55.06 55.13 3aad s HIS 70 Cb -0.12 -0.25 -0.02 0.00 1.11 0.00 0.00 32.58 33.30 3aad s HIS 70 CO 0.02 -0.08 -0.25 1.41 -0.85 0.00 0.00 174.74 174.99 3aad s MET 71 N 0.89 2.00 -0.04 1.40 0.00 -1.26 -0.68 119.30 121.61 3aad s MET 71 Ca -0.08 -0.91 -0.26 0.00 0.00 0.00 0.00 55.69 54.43 3aad s MET 71 Cb -0.11 -1.96 0.06 0.00 0.00 0.00 0.00 34.83 32.82 3aad s MET 71 CO -0.02 0.53 0.58 -0.59 0.00 0.00 0.00 175.02 175.52 3aad s PHE 72 N -0.61 -0.53 0.15 4.11 -0.71 0.01 -5.01 117.98 115.40 3aad s PHE 72 Ca 0.10 0.89 -0.18 0.00 -1.04 0.00 0.00 56.93 56.70 3aad s PHE 72 Cb -0.10 0.32 -0.07 0.00 -1.21 0.00 0.00 43.02 41.96 3aad s PHE 72 CO -0.01 -0.55 0.63 0.08 -1.34 0.00 0.00 175.22 174.03 3aad s VAL 73 N -1.22 4.69 -0.55 -2.49 1.01 -1.26 -1.25 120.40 119.34 3aad s VAL 73 Ca -0.12 1.16 0.00 0.00 0.00 0.00 0.00 61.98 63.03 3aad s VAL 73 Cb -0.01 -3.86 0.14 0.00 0.00 0.00 0.00 36.38 32.65 3aad s VAL 73 CO 0.08 0.36 0.33 0.12 0.00 0.00 0.00 175.10 175.99 3aad s PHE 74 N -1.34 3.37 0.32 5.22 5.99 0.17 -4.94 117.98 126.78 3aad s PHE 74 Ca 0.36 -2.88 -0.28 0.00 0.00 0.00 0.00 56.93 54.14 3aad s PHE 74 Cb -0.18 -3.05 -0.09 0.00 0.00 0.00 0.00 43.02 39.70 3aad s PHE 74 CO 0.20 -0.82 1.15 -0.65 -0.00 0.00 0.00 175.22 175.10 3aad s GLN 75 N 0.02 4.43 -0.30 10.12 -1.52 -1.26 -2.61 119.66 128.53 3aad s GLN 75 Ca 0.16 1.88 -0.12 0.00 -1.95 0.00 0.00 55.36 55.32 3aad s GLN 75 Cb -0.22 -3.01 0.14 0.00 -0.22 0.00 0.00 33.01 29.69 3aad s GLN 75 CO -0.03 -0.00 0.76 0.00 -0.25 0.00 0.00 175.29 175.77 3aad s ALA 76 N -1.25 -2.24 0.93 6.09 0.00 -0.91 -4.96 121.76 119.41 3aad s ALA 76 Ca 0.49 2.26 -0.14 0.00 0.00 0.00 0.00 51.96 54.57 3aad s ALA 76 Cb -0.33 -1.84 0.01 0.00 0.00 0.00 0.00 23.12 20.96 3aad s ALA 76 CO 0.42 -0.90 0.31 -0.25 0.00 0.00 0.00 175.76 175.34 3aad n ASP 77 N 5.22 -2.35 -4.86 0.00 10.43 -1.26 -1.52 116.55 122.20 3aad n ASP 77 Ca -0.12 0.35 -0.31 0.00 2.57 0.00 0.00 54.79 57.28 3aad n ASP 77 Cb 0.51 -1.17 -0.05 0.00 1.84 0.00 0.00 41.12 42.25 3aad n ASP 77 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 3aad s ALA 78 N -2.30 3.39 0.33 2.24 0.00 -1.26 -4.61 121.76 119.55 3aad s ALA 78 Ca 0.56 -0.12 -0.29 0.00 0.00 0.00 0.00 51.96 52.11 3aad s ALA 78 Cb -0.23 -2.66 -0.11 0.00 0.00 0.00 0.00 23.12 20.12 3aad s ALA 78 CO 0.68 0.25 1.52 -1.25 0.00 0.00 0.00 175.76 176.96 3aad s PRO 79 N -3.25 4.14 -0.36 0.00 0.04 -1.26 -4.84 135.00 129.46 3aad s PRO 79 Ca 0.51 2.54 -0.29 0.00 0.04 0.00 0.00 61.00 63.81 3aad s PRO 79 Cb -0.10 -3.01 -0.00 0.00 0.04 0.00 0.00 34.50 31.43 3aad s PRO 79 CO 0.23 -0.56 1.55 1.21 0.04 0.00 0.00 177.00 179.47 3aad s ASN 80 N 0.16 6.21 0.42 6.66 2.47 -1.26 -4.89 114.94 124.71 3aad s ASN 80 Ca 0.58 1.07 0.14 0.00 0.42 0.00 0.00 52.86 55.06 3aad s ASN 80 Cb -0.46 -2.53 1.00 0.00 -1.45 0.00 0.00 41.25 37.80 3aad s ASN 80 CO 0.54 -1.49 1.93 -0.65 -3.72 0.00 0.00 177.10 173.72 3aad h PRO 81 N 11.34 0.46 -0.17 0.43 0.11 -1.92 -2.09 132.00 140.15 3aad h PRO 81 Ca -0.30 -0.03 0.05 0.00 0.11 0.00 0.00 66.00 65.83 3aad h PRO 81 Cb 1.13 -0.10 -0.07 0.00 0.11 0.00 0.00 31.00 32.07 3aad h PRO 81 CO 1.06 0.30 -0.41 0.78 -0.21 0.00 0.00 178.00 179.52 3aad h GLY 82 N 0.47 -0.65 -0.59 -0.55 0.00 -2.02 0.12 103.07 99.85 3aad h GLY 82 Ca 0.35 0.51 0.00 0.00 0.00 0.00 0.00 47.33 48.19 3aad h GLY 82 CO -0.11 -0.22 0.00 1.04 0.00 0.00 0.00 176.54 177.25 3aad n LEU 83 N -5.43 0.49 -4.37 3.11 4.77 -0.79 -4.70 117.00 110.08 3aad n LEU 83 Ca -0.03 -0.25 -0.33 0.00 -0.03 0.00 0.00 56.01 55.36 3aad n LEU 83 Cb 0.36 -0.25 -0.14 0.00 -2.33 0.00 0.00 43.42 41.06 3aad n LEU 83 CO 0.11 0.12 -0.42 -0.63 -1.33 0.00 0.00 177.39 175.24 3aad s ILE 84 N -1.41 3.22 0.39 -0.08 1.01 0.41 -4.87 121.20 119.87 3aad s ILE 84 Ca 0.00 -0.59 -0.23 0.00 0.00 0.00 0.00 60.65 59.83 3aad s ILE 84 Cb 0.00 -2.38 -0.10 0.00 0.01 0.00 0.00 42.46 39.98 3aad s ILE 84 CO 0.00 0.50 0.96 -2.16 0.00 0.00 0.00 174.94 174.24 3aad s PRO 85 N 0.59 4.34 0.00 2.79 0.05 -1.26 -4.94 135.00 136.58 3aad s PRO 85 Ca -0.06 1.23 0.00 0.00 0.05 0.00 0.00 61.00 62.21 3aad s PRO 85 Cb -0.15 -2.42 0.00 0.00 0.05 0.00 0.00 34.50 31.97 3aad s PRO 85 CO 0.03 0.06 0.04 -0.40 0.05 0.00 0.00 177.00 176.79 3aad n ASP 86 N -0.18 0.00 0.27 6.66 5.68 -1.26 -1.89 116.55 125.83 3aad n ASP 86 Ca 0.05 0.04 0.06 0.00 -0.50 0.00 0.00 54.79 54.44 3aad n ASP 86 Cb 0.52 0.00 0.30 0.00 -1.14 0.00 0.00 41.12 40.81 3aad n ASP 86 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 3aad h ALA 87 N -2.86 1.57 -0.50 2.12 0.00 -1.96 0.20 119.26 117.83 3aad h ALA 87 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3aad h ALA 87 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.79 3aad h ALA 87 CO 0.00 -0.57 0.00 -3.47 0.00 0.00 0.00 179.25 175.21 3aad n ASP 88 N -2.40 3.72 -0.06 0.00 -0.08 -0.79 -4.49 116.55 112.45 3aad n ASP 88 Ca -0.01 -2.33 -0.04 0.00 -1.51 0.00 0.00 54.79 50.91 3aad n ASP 88 Cb 0.65 -0.50 -0.13 0.00 2.34 0.00 0.00 41.12 43.49 3aad n ASP 88 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 3aad n ALA 89 N 0.82 1.86 -3.87 -1.67 0.00 0.70 -4.81 120.51 113.54 3aad n ALA 89 Ca 0.20 -0.90 -0.28 0.00 0.00 0.00 0.00 53.44 52.45 3aad n ALA 89 Cb 0.70 -0.22 -0.12 0.00 0.00 0.00 0.00 19.45 19.82 3aad n ALA 89 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 3aad s VAL 90 N -2.59 2.73 0.00 0.00 1.01 -1.26 -4.76 120.40 115.52 3aad s VAL 90 Ca -0.08 -4.18 0.00 0.00 0.00 0.00 0.00 61.98 57.73 3aad s VAL 90 Cb 0.06 -2.79 0.00 0.00 0.00 0.00 0.00 36.38 33.65 3aad s VAL 90 CO 0.68 -1.02 0.00 0.61 0.00 0.00 0.00 175.10 175.36 3aad n GLY 91 N 2.02 0.92 3.79 4.51 0.00 -1.02 -4.94 105.19 110.48 3aad n GLY 91 Ca 0.20 -0.46 -0.39 0.00 0.00 0.00 0.00 46.02 45.38 3aad n GLY 91 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3aad s VAL 92 N -1.61 4.60 0.00 1.61 1.01 -1.23 -0.20 120.40 124.58 3aad s VAL 92 Ca 0.00 1.41 0.00 0.00 0.00 0.00 0.00 61.98 63.39 3aad s VAL 92 Cb 0.00 -4.00 0.00 0.00 0.00 0.00 0.00 36.38 32.38 3aad s VAL 92 CO 0.00 0.53 0.00 0.35 0.00 0.00 0.00 175.10 175.98 3aad n THR 93 N 1.73 0.00 -4.81 3.92 -2.24 0.65 -4.85 114.28 108.68 3aad n THR 93 Ca -0.08 0.00 -0.25 0.00 -2.27 0.00 0.00 64.05 61.45 3aad n THR 93 Cb 0.50 0.00 -0.16 0.00 -2.10 0.00 0.00 70.33 68.57 3aad n THR 93 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 3aad s VAL 94 N -1.80 1.37 0.06 2.28 1.01 -0.77 0.13 120.40 122.68 3aad s VAL 94 Ca 0.00 -0.71 0.02 0.00 0.00 0.00 0.00 61.98 61.29 3aad s VAL 94 Cb 0.00 -1.16 -0.04 0.00 0.00 0.00 0.00 36.38 35.18 3aad s VAL 94 CO 0.00 0.39 0.07 -0.69 0.00 0.00 0.00 175.10 174.87 3aad s VAL 95 N -0.19 4.51 -0.05 2.92 1.01 0.94 -0.16 120.40 129.38 3aad s VAL 95 Ca 0.02 -0.69 0.03 0.00 0.00 0.00 0.00 61.98 61.33 3aad s VAL 95 Cb -0.09 -3.14 0.01 0.00 0.00 0.00 0.00 36.38 33.16 3aad s VAL 95 CO 0.01 0.19 -0.12 -0.76 0.00 0.00 0.00 175.10 174.42 3aad s LEU 96 N -2.18 1.72 -0.23 3.92 1.43 0.12 -1.57 118.68 121.89 3aad s LEU 96 Ca 0.27 -0.27 -0.08 0.00 -1.03 0.00 0.00 54.13 53.02 3aad s LEU 96 Cb -0.12 -0.76 -0.04 0.00 0.03 0.00 0.00 46.19 45.30 3aad s LEU 96 CO 0.19 0.06 0.08 -0.63 0.23 0.00 0.00 176.35 176.29 3aad s ILE 97 N 0.43 4.65 0.28 -0.59 1.09 -0.70 0.33 121.20 126.69 3aad s ILE 97 Ca -0.09 -0.07 0.09 0.00 -1.10 0.00 0.00 60.65 59.48 3aad s ILE 97 Cb -0.13 -3.15 -0.04 0.00 -1.06 0.00 0.00 42.46 38.08 3aad s ILE 97 CO 0.02 0.38 0.01 0.42 -0.10 0.00 0.00 174.94 175.67 3aad s THR 98 N 1.12 3.31 -0.01 2.92 -4.23 0.36 -0.90 115.64 118.20 3aad s THR 98 Ca 0.05 -1.90 0.03 0.00 -1.18 0.00 0.00 61.69 58.69 3aad s THR 98 Cb -0.14 -2.85 -0.00 0.00 1.34 0.00 0.00 72.50 70.85 3aad s THR 98 CO 0.04 -0.34 -0.10 0.00 -0.54 0.00 0.00 174.62 173.68 3aad s THR 100 N -0.10 2.31 -0.21 0.00 2.01 -0.20 -1.93 115.64 117.53 3aad s THR 100 Ca 0.02 -1.38 0.01 0.00 0.31 0.00 0.00 61.69 60.64 3aad s THR 100 Cb -0.06 -1.93 0.05 0.00 0.01 0.00 0.00 72.50 70.57 3aad s THR 100 CO -0.00 0.33 -0.07 -0.47 -0.69 0.00 0.00 174.62 173.72 3aad s TYR 101 N -0.86 2.29 -0.45 4.92 5.04 0.83 -2.05 117.35 127.08 3aad s TYR 101 Ca 0.13 -1.60 -0.34 0.00 -2.44 0.00 0.00 57.07 52.82 3aad s TYR 101 Cb -0.10 -1.55 0.05 0.00 0.35 0.00 0.00 41.96 40.70 3aad s TYR 101 CO 0.03 -0.74 0.65 0.54 -1.34 0.00 0.00 175.55 174.69 3aad n ARG 102 N 4.71 -2.04 0.00 4.97 1.74 -1.15 -1.53 116.66 123.37 3aad n ARG 102 Ca -0.13 1.59 0.00 0.00 -0.77 0.00 0.00 57.85 58.54 3aad n ARG 102 Cb 0.45 -2.91 0.00 0.00 -1.02 0.00 0.00 32.46 28.98 3aad n ARG 102 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3aad n GLY 103 N -0.22 0.89 3.65 -0.13 0.00 -1.26 -4.94 105.19 103.18 3aad n GLY 103 Ca -0.04 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.61 3aad n GLY 103 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3aad s GLN 104 N 0.00 4.06 0.15 1.61 1.11 -0.58 -5.06 119.66 120.95 3aad s GLN 104 Ca 0.00 -0.26 -0.30 0.00 0.01 0.00 0.00 55.36 54.80 3aad s GLN 104 Cb 0.00 -3.56 -0.07 0.00 -1.01 0.00 0.00 33.01 28.37 3aad s GLN 104 CO 0.00 0.02 1.15 -2.00 0.01 0.00 0.00 175.29 174.47 3aad s GLU 105 N 1.16 4.53 0.00 2.91 2.12 -1.26 0.29 118.70 128.45 3aad s GLU 105 Ca 0.08 1.77 0.00 0.00 0.36 0.00 0.00 54.97 57.18 3aad s GLU 105 Cb -0.14 -3.29 0.00 0.00 0.26 0.00 0.00 34.13 30.96 3aad s GLU 105 CO 0.05 -0.05 0.02 1.97 -0.54 0.00 0.00 175.26 176.72 3aad n PHE 106 N 2.80 0.00 -3.33 5.30 1.16 -0.81 -4.83 117.46 117.74 3aad n PHE 106 Ca 0.05 0.00 0.02 0.00 -1.87 0.00 0.00 57.45 55.65 3aad n PHE 106 Cb 0.46 0.00 -0.02 0.00 -1.61 0.00 0.00 39.48 38.31 3aad n PHE 106 CO 0.00 0.00 0.00 -1.50 -1.87 0.00 0.00 176.76 173.39 3aad s ILE 107 N -0.02 -0.89 -0.18 1.97 -1.16 -1.21 -2.21 121.20 117.50 3aad s ILE 107 Ca 0.00 0.00 -0.09 0.00 -0.51 0.00 0.00 60.65 60.05 3aad s ILE 107 Cb 0.00 -1.00 -0.05 0.00 0.61 0.00 0.00 42.46 42.02 3aad s ILE 107 CO 0.00 0.00 0.12 -0.60 -2.81 0.00 0.00 174.94 171.65 3aad s ARG 108 N 2.85 3.99 -0.25 3.50 6.06 0.25 -1.61 118.95 133.73 3aad s ARG 108 Ca 0.08 -0.22 0.00 0.00 -2.50 0.00 0.00 55.73 53.10 3aad s ARG 108 Cb -0.13 -3.33 0.07 0.00 0.06 0.00 0.00 34.95 31.62 3aad s ARG 108 CO -0.19 0.40 -0.01 0.08 -2.50 0.00 0.00 175.30 173.08 3aad s VAL 109 N 0.05 1.38 0.26 7.11 1.01 -0.08 -1.37 120.40 128.76 3aad s VAL 109 Ca 0.09 -1.27 -0.07 0.00 0.00 0.00 0.00 61.98 60.73 3aad s VAL 109 Cb -0.11 -1.77 -0.06 0.00 0.00 0.00 0.00 36.38 34.44 3aad s VAL 109 CO -0.00 -0.25 0.55 -0.83 0.00 0.00 0.00 175.10 174.56 3aad s GLY 110 N 1.44 2.08 -0.20 4.51 0.00 0.25 -1.72 107.32 113.67 3aad s GLY 110 Ca -0.01 -0.42 -0.04 0.00 0.00 0.00 0.00 44.72 44.25 3aad s GLY 110 CO -0.09 -0.30 0.30 -0.19 0.00 0.00 0.00 173.10 172.82 3aad s TYR 111 N -1.94 -0.55 0.29 1.90 1.51 -0.61 -2.42 117.35 115.53 3aad s TYR 111 Ca 0.45 0.71 -0.29 0.00 -1.01 0.00 0.00 57.07 56.93 3aad s TYR 111 Cb -0.11 -0.10 -0.10 0.00 -0.11 0.00 0.00 41.96 41.54 3aad s TYR 111 CO 0.26 -0.58 1.26 0.71 -1.11 0.00 0.00 175.55 176.09 3aad s TYR 112 N 2.45 3.21 -0.08 2.71 1.51 -1.26 -0.04 117.35 125.84 3aad s TYR 112 Ca 0.07 1.44 0.02 0.00 -1.01 0.00 0.00 57.07 57.59 3aad s TYR 112 Cb -0.15 -3.58 0.01 0.00 -0.11 0.00 0.00 41.96 38.14 3aad s TYR 112 CO -0.13 -1.58 -0.15 0.08 -1.11 0.00 0.00 175.55 172.66 3aad s VAL 113 N -0.89 1.36 -0.36 0.71 1.01 0.36 -2.46 120.40 120.13 3aad s VAL 113 Ca 0.50 -0.60 -0.06 0.00 0.00 0.00 0.00 61.98 61.82 3aad s VAL 113 Cb -0.37 -1.23 0.06 0.00 0.00 0.00 0.00 36.38 34.83 3aad s VAL 113 CO 0.47 0.41 0.13 0.21 0.00 0.00 0.00 175.10 176.33 3aad s ASN 114 N 0.72 5.32 -0.45 3.32 2.47 -0.24 0.24 114.94 126.31 3aad s ASN 114 Ca -0.13 -1.35 -0.16 0.00 0.42 0.00 0.00 52.86 51.64 3aad s ASN 114 Cb -0.16 -1.87 0.05 0.00 -1.45 0.00 0.00 41.25 37.82 3aad s ASN 114 CO 0.03 -0.39 0.39 0.20 -3.72 0.00 0.00 177.10 173.61 3aad s ASN 115 N 1.59 6.15 0.35 -4.21 0.01 0.72 -1.04 114.94 118.50 3aad s ASN 115 Ca 0.00 -1.04 0.09 0.00 -0.71 0.00 0.00 52.86 51.20 3aad s ASN 115 Cb -0.21 -2.19 -0.07 0.00 0.41 0.00 0.00 41.25 39.19 3aad s ASN 115 CO 0.01 -0.59 -0.07 -0.70 -1.51 0.00 0.00 177.10 174.24 3aad s GLU 116 N 1.83 1.80 0.08 -0.60 2.56 -0.05 -2.43 118.70 121.89 3aad s GLU 116 Ca 0.07 -1.95 -0.27 0.00 0.00 0.00 0.00 54.97 52.83 3aad s GLU 116 Cb -0.21 -1.60 -0.06 0.00 2.00 0.00 0.00 34.13 34.26 3aad s GLU 116 CO 0.09 0.09 0.83 0.71 -0.56 0.00 0.00 175.26 176.42 3aad s TYR 117 N -2.70 3.79 -0.01 5.30 4.12 -1.26 0.89 117.35 127.48 3aad s TYR 117 Ca 0.33 1.60 0.01 0.00 0.02 0.00 0.00 57.07 59.02 3aad s TYR 117 Cb 0.04 -2.88 -0.26 0.00 -1.52 0.00 0.00 41.96 37.34 3aad s TYR 117 CO 0.16 0.29 0.79 0.00 0.02 0.00 0.00 175.55 176.81 3aad h THR 118 N 3.97 1.06 -4.17 -0.71 1.03 -1.83 -3.45 112.91 108.81 3aad h THR 118 Ca -0.44 -2.77 -0.52 0.00 -0.01 0.00 0.00 66.41 62.67 3aad h THR 118 Cb 1.21 2.66 0.12 0.00 -1.07 0.00 0.00 68.15 71.07 3aad h THR 118 CO 0.70 0.77 0.39 -1.61 -0.01 0.00 0.00 175.52 175.77 3aad s GLU 119 N -2.61 2.60 0.07 0.00 2.02 -1.26 -4.95 118.70 114.56 3aad s GLU 119 Ca -0.09 1.59 -0.14 0.00 0.02 0.00 0.00 54.97 56.35 3aad s GLU 119 Cb 0.07 -1.91 -0.24 0.00 0.10 0.00 0.00 34.13 32.16 3aad s GLU 119 CO 0.83 -1.44 1.18 1.79 0.02 0.00 0.00 175.26 177.64 3aad h THR 120 N 0.07 1.28 0.13 3.63 1.35 -2.01 -3.27 112.91 114.09 3aad h THR 120 Ca -0.48 -2.27 -0.28 0.00 -0.55 0.00 0.00 66.41 62.83 3aad h THR 120 Cb 1.27 2.42 0.00 0.00 -1.73 0.00 0.00 68.15 70.11 3aad h THR 120 CO 0.53 0.70 -1.31 -0.33 -0.25 0.00 0.00 175.52 174.86 3aad h GLU 121 N 0.38 0.29 0.01 4.72 4.39 -2.00 -3.38 114.58 118.99 3aad h GLU 121 Ca -0.14 -0.49 -0.23 0.00 0.34 0.00 0.00 59.36 58.84 3aad h GLU 121 Cb 1.72 0.18 0.00 0.00 -0.10 0.00 0.00 28.75 30.56 3aad h GLU 121 CO 0.21 1.22 -0.96 -0.07 -1.16 0.00 0.00 179.01 178.24 3aad h LEU 122 N 0.08 0.56 -2.28 1.33 4.07 -1.92 -3.29 115.31 113.86 3aad h LEU 122 Ca -0.16 -0.45 -0.01 0.00 0.08 0.00 0.00 57.88 57.33 3aad h LEU 122 Cb 1.99 -0.17 -0.00 0.00 1.08 0.00 0.00 40.66 43.56 3aad h LEU 122 CO 0.20 1.26 -0.05 -0.09 -1.08 0.00 0.00 178.44 178.68 3aad h ARG 123 N 0.24 0.00 0.23 1.13 1.12 -1.73 -1.76 114.38 113.61 3aad h ARG 123 Ca -0.09 0.00 -0.01 0.00 -1.11 0.00 0.00 59.98 58.77 3aad h ARG 123 Cb 1.60 0.00 0.00 0.00 -0.01 0.00 0.00 29.97 31.56 3aad h ARG 123 CO 0.17 0.05 -0.11 0.93 -3.11 0.00 0.00 179.97 177.90 3aad h GLU 124 N 0.00 -0.29 -2.14 0.20 5.08 -1.76 -3.40 114.58 112.27 3aad h GLU 124 Ca -0.00 0.02 -0.56 0.00 -1.00 0.00 0.00 59.36 57.82 3aad h GLU 124 Cb 0.17 0.07 -0.41 0.00 0.50 0.00 0.00 28.75 29.07 3aad h GLU 124 CO 0.01 0.02 -0.85 0.27 -1.00 0.00 0.00 179.01 177.46 3aad n ASN 125 N -5.08 2.60 -4.57 1.42 0.23 -0.74 -5.09 115.26 104.04 3aad n ASN 125 Ca -0.09 -3.27 -0.58 0.00 -0.53 0.00 0.00 54.58 50.10 3aad n ASN 125 Cb 0.24 -0.62 -0.09 0.00 -2.08 0.00 0.00 39.78 37.23 3aad n ASN 125 CO 0.00 0.00 0.00 -2.65 -0.93 0.00 0.00 177.26 173.68 3aad n PRO 126 N 0.47 0.70 -1.62 -0.53 -0.01 -0.76 -4.91 135.00 128.34 3aad n PRO 126 Ca 0.27 0.23 -0.40 0.00 -0.01 0.00 0.00 63.50 63.60 3aad n PRO 126 Cb 0.49 -1.95 0.03 0.00 -0.01 0.00 0.00 33.50 32.05 3aad n PRO 126 CO 0.00 0.00 0.00 -0.35 -0.01 0.00 0.00 175.50 175.14 3aad n PRO 127 N 6.18 1.23 -0.20 0.52 -0.04 -1.26 -4.92 135.00 136.50 3aad n PRO 127 Ca 0.36 0.45 -0.02 0.00 -0.04 0.00 0.00 63.50 64.26 3aad n PRO 127 Cb 0.08 -2.13 0.05 0.00 -0.04 0.00 0.00 33.50 31.46 3aad n PRO 127 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 3aad h VAL 128 N 1.15 0.32 -3.58 0.52 2.07 -2.03 -3.37 116.25 111.32 3aad h VAL 128 Ca -0.47 0.00 -0.63 0.00 0.82 0.00 0.00 66.70 66.42 3aad h VAL 128 Cb 1.34 0.32 -0.14 0.00 -1.52 0.00 0.00 31.29 31.29 3aad h VAL 128 CO 0.54 0.00 0.04 -0.75 0.02 0.00 0.00 177.57 177.42 3aad s LYS 129 N -6.18 3.80 0.04 1.57 2.47 -1.26 -4.89 119.74 115.29 3aad s LYS 129 Ca -0.14 0.09 -0.31 0.00 -1.56 0.00 0.00 55.97 54.05 3aad s LYS 129 Cb 0.18 -3.75 -0.10 0.00 -1.46 0.00 0.00 37.83 32.70 3aad s LYS 129 CO 0.72 -0.57 1.91 -2.30 0.16 0.00 0.00 175.35 175.28 3aad n PRO 130 N 5.78 2.71 -2.82 4.03 -0.02 -1.26 -4.93 135.00 138.50 3aad n PRO 130 Ca -0.03 0.99 -0.43 0.00 -2.02 0.00 0.00 63.50 62.01 3aad n PRO 130 Cb 0.49 -2.91 0.01 0.00 -0.02 0.00 0.00 33.50 31.07 3aad n PRO 130 CO 0.00 0.00 0.00 -3.47 1.98 0.00 0.00 175.50 174.01 3aad n ASP 131 N 6.78 6.48 -0.39 2.55 2.03 -1.26 -4.88 116.55 127.86 3aad n ASP 131 Ca 0.20 -3.41 0.36 0.00 0.52 0.00 0.00 54.79 52.45 3aad n ASP 131 Cb 0.37 -1.28 0.62 0.00 -0.72 0.00 0.00 41.12 40.11 3aad n ASP 131 CO 0.00 0.00 0.00 0.49 -1.92 0.00 0.00 177.20 175.77 3aad n PHE 132 N 1.42 0.89 -0.19 -0.67 3.72 -1.26 0.12 117.46 121.49 3aad n PHE 132 Ca 0.32 0.90 -0.06 0.00 -0.05 0.00 0.00 57.45 58.56 3aad n PHE 132 Cb 0.32 -1.32 0.00 0.00 -0.94 0.00 0.00 39.48 37.55 3aad n PHE 132 CO 0.00 0.00 0.00 0.77 -0.05 0.00 0.00 176.76 177.48 3aad h SER 133 N 0.00 -1.15 0.94 4.37 0.02 -2.01 -0.42 113.55 115.31 3aad h SER 133 Ca 0.84 0.22 0.00 0.00 -0.84 0.00 0.00 61.79 62.01 3aad h SER 133 Cb 2.51 0.56 0.00 0.00 0.14 0.00 0.00 62.40 65.61 3aad h SER 133 CO -0.59 -0.31 0.00 0.11 -1.14 0.00 0.00 176.83 174.91 3aad h LYS 134 N -0.18 0.00 0.00 3.45 1.79 0.50 -3.44 116.57 118.69 3aad h LYS 134 Ca 0.22 0.00 -0.38 0.00 -2.18 0.00 0.00 60.65 58.31 3aad h LYS 134 Cb 0.55 0.00 0.21 0.00 -1.58 0.00 0.00 32.23 31.41 3aad h LYS 134 CO -0.65 0.00 -0.06 1.28 -1.08 0.00 0.00 179.45 178.94 3aad n LEU 135 N -2.56 0.00 -3.61 2.94 4.77 -0.17 -3.69 117.00 114.69 3aad n LEU 135 Ca 0.02 -1.00 -0.01 0.00 -0.03 0.00 0.00 56.01 54.99 3aad n LEU 135 Cb 0.28 -1.01 -0.04 0.00 -2.33 0.00 0.00 43.42 40.33 3aad n LEU 135 CO 0.24 -2.58 0.31 -1.58 -1.33 0.00 0.00 177.39 172.44 3aad s GLN 136 N -5.27 0.54 -0.59 3.23 2.00 0.26 -3.73 119.66 116.09 3aad s GLN 136 Ca 0.69 1.35 -0.19 0.00 -2.00 0.00 0.00 55.36 55.21 3aad s GLN 136 Cb -0.10 0.81 0.10 0.00 0.80 0.00 0.00 33.01 34.62 3aad s GLN 136 CO 0.56 -0.19 0.73 0.50 -0.50 0.00 0.00 175.29 176.39 3aad s ARG 137 N 2.83 3.05 -0.51 1.67 3.52 0.36 -0.87 118.95 129.01 3aad s ARG 137 Ca -0.05 -1.25 -0.20 0.00 -0.13 0.00 0.00 55.73 54.10 3aad s ARG 137 Cb -0.11 -4.26 0.06 0.00 -1.56 0.00 0.00 34.95 29.08 3aad s ARG 137 CO -0.19 -1.56 0.66 1.21 -0.81 0.00 0.00 175.30 174.62 3aad s ASN 138 N 3.59 6.23 0.16 -2.12 3.04 -0.21 -1.08 114.94 124.56 3aad s ASN 138 Ca 0.13 -0.87 -0.29 0.00 0.04 0.00 0.00 52.86 51.87 3aad s ASN 138 Cb -0.23 -2.31 -0.07 0.00 -1.54 0.00 0.00 41.25 37.10 3aad s ASN 138 CO 0.07 -0.94 0.90 -0.63 -3.04 0.00 0.00 177.10 173.47 3aad s ILE 139 N 2.78 4.35 -1.29 -5.21 1.01 -1.26 -1.08 121.20 120.49 3aad s ILE 139 Ca 0.17 1.98 -0.12 0.00 0.00 0.00 0.00 60.65 62.67 3aad s ILE 139 Cb -0.19 -4.28 0.14 0.00 0.01 0.00 0.00 42.46 38.15 3aad s ILE 139 CO 0.12 0.42 1.79 0.18 0.00 0.00 0.00 174.94 177.46 3aad n LEU 140 N 2.13 6.13 -0.13 2.97 4.77 -1.03 -4.78 117.00 127.05 3aad n LEU 140 Ca -0.01 -4.45 -0.04 0.00 -0.03 0.00 0.00 56.01 51.47 3aad n LEU 140 Cb 0.48 -1.57 0.02 0.00 -2.33 0.00 0.00 43.42 40.03 3aad n LEU 140 CO 0.49 1.05 0.76 0.00 -1.33 0.00 0.00 177.39 178.37 3aad h ALA 141 N 6.33 0.26 -0.66 -1.18 0.00 -1.93 -2.18 119.26 119.90 3aad h ALA 141 Ca 0.40 0.17 0.25 0.00 0.00 0.00 0.00 54.91 55.73 3aad h ALA 141 Cb 0.72 0.37 -0.12 0.00 0.00 0.00 0.00 17.79 18.76 3aad h ALA 141 CO 1.54 -0.47 0.26 0.43 0.00 0.00 0.00 179.25 181.01 3aad n SER 142 N -5.34 0.14 -3.23 0.00 7.64 -1.26 -3.18 113.62 108.39 3aad n SER 142 Ca 0.03 1.11 -0.25 0.00 1.01 0.00 0.00 58.87 60.76 3aad n SER 142 Cb 0.25 -0.50 -0.06 0.00 -1.01 0.00 0.00 64.21 62.89 3aad n SER 142 CO 0.00 0.00 0.00 -3.20 -3.01 0.00 0.00 175.04 168.83 3aad n ASN 143 N -4.61 2.97 -4.76 6.43 2.85 -0.82 -5.09 115.26 112.22 3aad n ASN 143 Ca 0.22 -3.32 -0.31 0.00 -0.11 0.00 0.00 54.58 51.07 3aad n ASN 143 Cb 0.76 -0.63 0.10 0.00 1.24 0.00 0.00 39.78 41.24 3aad n ASN 143 CO 0.00 0.00 0.00 -2.16 -2.11 0.00 0.00 177.26 172.99 3aad s PRO 144 N -2.49 2.05 -0.06 1.20 0.04 -1.19 -4.79 135.00 129.76 3aad s PRO 144 Ca 0.41 0.98 0.01 0.00 0.04 0.00 0.00 61.00 62.44 3aad s PRO 144 Cb 0.21 -1.89 0.02 0.00 0.04 0.00 0.00 34.50 32.88 3aad s PRO 144 CO -0.07 -1.74 -0.05 1.03 0.04 0.00 0.00 177.00 176.22 3aad s ARG 145 N -4.96 0.94 -0.09 4.56 1.81 -1.01 -5.02 118.95 115.18 3aad s ARG 145 Ca 0.61 -0.11 0.01 0.00 -1.72 0.00 0.00 55.73 54.52 3aad s ARG 145 Cb -0.17 -0.99 0.02 0.00 -0.45 0.00 0.00 34.95 33.36 3aad s ARG 145 CO 0.56 -0.13 -0.09 0.08 -0.68 0.00 0.00 175.30 175.04 3aad s VAL 146 N 1.17 1.01 -0.03 3.52 1.01 -1.26 0.87 120.40 126.68 3aad s VAL 146 Ca -0.07 -0.34 0.04 0.00 0.00 0.00 0.00 61.98 61.62 3aad s VAL 146 Cb -0.14 -0.98 -0.00 0.00 0.00 0.00 0.00 36.38 35.26 3aad s VAL 146 CO -0.01 0.35 -0.16 -0.89 0.00 0.00 0.00 175.10 174.38 3aad s THR 147 N 1.21 1.30 -0.17 3.92 2.01 -0.47 -5.03 115.64 118.41 3aad s THR 147 Ca -0.05 -0.66 -0.04 0.00 0.31 0.00 0.00 61.69 61.26 3aad s THR 147 Cb -0.14 -1.11 0.06 0.00 0.01 0.00 0.00 72.50 71.31 3aad s THR 147 CO -0.02 0.38 0.06 -0.60 -0.69 0.00 0.00 174.62 173.74 3aad s ARG 148 N -0.05 0.34 -0.11 4.92 3.52 -1.26 0.85 118.95 127.16 3aad s ARG 148 Ca -0.01 -0.19 0.03 0.00 -0.13 0.00 0.00 55.73 55.42 3aad s ARG 148 Cb -0.10 -1.84 -0.00 0.00 -1.56 0.00 0.00 34.95 31.45 3aad s ARG 148 CO 0.01 -0.62 -0.21 -0.59 -0.81 0.00 0.00 175.30 173.09 3aad s PHE 149 N 2.01 2.64 -0.23 5.12 -0.12 -0.94 -5.00 117.98 121.46 3aad s PHE 149 Ca 0.01 -0.93 -0.42 0.00 -0.05 0.00 0.00 56.93 55.54 3aad s PHE 149 Cb -0.16 -1.75 -0.19 0.00 -0.63 0.00 0.00 43.02 40.29 3aad s PHE 149 CO -0.08 -0.36 1.43 0.72 -0.05 0.00 0.00 175.22 176.88 3aad n HIS 150 N 3.53 1.44 -3.92 3.49 8.25 -1.26 -4.46 115.22 122.29 3aad n HIS 150 Ca -0.19 0.94 0.00 0.00 -0.26 0.00 0.00 57.72 58.21 3aad n HIS 150 Cb 0.53 -2.24 0.00 0.00 1.12 0.00 0.00 29.99 29.39 3aad n HIS 150 CO 0.00 0.00 0.00 1.51 0.64 0.00 0.00 176.34 178.49 3aad n ILE 151 N 3.15 0.00 -3.59 1.59 0.13 -1.26 -5.04 119.36 114.34 3aad n ILE 151 Ca 0.25 0.00 -0.27 0.00 -1.10 0.00 0.00 62.75 61.63 3aad n ILE 151 Cb 0.05 0.00 -0.10 0.00 -0.84 0.00 0.00 39.64 38.75 3aad n ILE 151 CO 0.00 0.00 0.00 0.59 2.80 0.00 0.00 176.55 179.94 3aad n ASN 152 N -1.73 2.44 0.00 9.51 4.13 -1.26 -4.94 115.26 123.42 3aad n ASN 152 Ca 0.00 -3.11 0.00 0.00 1.68 0.00 0.00 54.58 53.15 3aad n ASN 152 Cb 0.00 -0.69 0.00 0.00 -1.54 0.00 0.00 39.78 37.55 3aad n ASN 152 CO 0.00 0.00 0.00 0.79 0.28 0.00 0.00 177.26 178.33