#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wra s SER 6 N 0.00 0.02 0.08 3.42 1.04 -0.20 -4.97 113.70 113.10 2wra s SER 6 Ca 0.00 -0.68 -0.05 0.00 0.48 0.00 0.00 55.95 55.70 2wra s SER 6 Cb 0.00 0.41 -0.02 0.00 0.10 0.00 0.00 66.02 66.51 2wra s SER 6 CO 0.00 -0.83 0.09 -0.94 0.98 0.00 0.00 173.24 172.54 2wra s SER 7 N -2.90 0.28 0.16 7.02 1.04 -1.26 -1.11 113.70 116.94 2wra s SER 7 Ca 0.10 -0.87 -0.01 0.00 0.48 0.00 0.00 55.95 55.65 2wra s SER 7 Cb 0.03 0.29 -0.04 0.00 0.10 0.00 0.00 66.02 66.40 2wra s SER 7 CO -0.06 -0.69 0.08 0.54 0.98 0.00 0.00 173.24 174.09 2wra s ASN 8 N -2.91 0.33 0.56 7.02 2.20 -0.96 -5.01 114.94 116.17 2wra s ASN 8 Ca 0.09 -1.28 0.35 0.00 -0.94 0.00 0.00 52.86 51.08 2wra s ASN 8 Cb 0.06 0.31 1.47 0.00 -2.00 0.00 0.00 41.25 41.09 2wra s ASN 8 CO -0.08 -0.76 2.02 0.03 -2.94 0.00 0.00 177.10 175.37 2wra h ARG 9 N 2.76 0.00 0.00 3.55 3.08 -1.90 -3.38 114.38 118.48 2wra h ARG 9 Ca -0.36 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.69 2wra h ARG 9 Cb 1.22 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.27 2wra h ARG 9 CO 0.57 0.01 0.00 0.00 -1.07 0.00 0.00 179.97 179.48 2wra n ALA 10 N -2.10 0.00 -0.70 0.04 0.00 -1.26 -2.99 120.51 113.50 2wra n ALA 10 Ca 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 53.44 53.41 2wra n ALA 10 Cb 0.28 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.73 2wra n ALA 10 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2wra n GLY 11 N 2.33 0.40 3.55 0.00 0.00 -1.26 -4.79 105.19 105.42 2wra n GLY 11 Ca 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.89 2wra n GLY 11 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2wra s GLU 12 N -0.01 0.73 0.08 1.61 2.02 -1.26 -1.58 118.70 120.29 2wra s GLU 12 Ca 0.00 0.93 0.07 0.00 0.02 0.00 0.00 54.97 55.99 2wra s GLU 12 Cb 0.00 0.32 -0.04 0.00 0.10 0.00 0.00 34.13 34.51 2wra s GLU 12 CO 0.00 -0.10 -0.12 -0.06 0.02 0.00 0.00 175.26 175.01 2wra s PHE 13 N 0.54 2.71 -0.21 1.61 0.08 0.65 -2.25 117.98 121.11 2wra s PHE 13 Ca -0.02 -0.17 0.01 0.00 0.12 0.00 0.00 56.93 56.88 2wra s PHE 13 Cb -0.05 -1.45 0.03 0.00 -0.57 0.00 0.00 43.02 40.98 2wra s PHE 13 CO -0.02 0.39 -0.15 0.45 -0.10 0.00 0.00 175.22 175.79 2wra s SER 14 N -1.99 3.73 0.37 1.36 0.15 -0.27 -0.73 113.70 116.32 2wra s SER 14 Ca 0.19 -0.88 0.04 0.00 0.70 0.00 0.00 55.95 56.01 2wra s SER 14 Cb -0.11 -1.54 -0.05 0.00 -1.71 0.00 0.00 66.02 62.61 2wra s SER 14 CO 0.11 -0.07 0.06 0.27 1.20 0.00 0.00 173.24 174.81 2wra s ILE 15 N 1.25 1.17 0.32 6.45 -4.36 0.01 -1.03 121.20 125.02 2wra s ILE 15 Ca 0.01 -2.00 -0.29 0.00 -0.26 0.00 0.00 60.65 58.10 2wra s ILE 15 Cb -0.16 -2.67 -0.11 0.00 1.25 0.00 0.00 42.46 40.78 2wra s ILE 15 CO -0.09 0.00 1.57 -2.84 0.24 0.00 0.00 174.94 173.82 2wra s PRO 16 N -3.83 4.11 0.77 0.37 0.02 -1.26 -4.40 135.00 130.78 2wra s PRO 16 Ca 0.31 2.58 -0.14 0.00 0.02 0.00 0.00 61.00 63.76 2wra s PRO 16 Cb 0.07 -3.01 0.06 0.00 0.02 0.00 0.00 34.50 31.64 2wra s PRO 16 CO 0.14 -0.61 1.19 -2.30 -0.33 0.00 0.00 177.00 175.09 2wra n PRO 17 N 1.67 0.39 -3.09 5.54 -0.02 -1.26 -3.53 135.00 134.70 2wra n PRO 17 Ca 0.06 0.20 -0.22 0.00 -2.02 0.00 0.00 63.50 61.52 2wra n PRO 17 Cb 0.38 -2.43 0.02 0.00 -0.02 0.00 0.00 33.50 31.45 2wra n PRO 17 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 2wra n ASN 18 N -2.82 -5.45 -4.39 2.55 4.13 0.68 -4.89 115.26 105.07 2wra n ASN 18 Ca 0.14 -0.30 -0.33 0.00 1.68 0.00 0.00 54.58 55.77 2wra n ASN 18 Cb 0.50 -4.43 -0.14 0.00 -1.54 0.00 0.00 39.78 34.17 2wra n ASN 18 CO 0.00 0.00 0.00 -0.89 0.28 0.00 0.00 177.26 176.65 2wra s THR 19 N -3.10 3.20 0.26 3.41 2.01 -1.23 -4.80 115.64 115.39 2wra s THR 19 Ca 0.32 -0.61 -0.29 0.00 0.31 0.00 0.00 61.69 61.42 2wra s THR 19 Cb -0.15 -2.36 -0.09 0.00 0.01 0.00 0.00 72.50 69.91 2wra s THR 19 CO 0.40 0.52 1.16 -1.81 -0.69 0.00 0.00 174.62 174.19 2wra s ASP 20 N 0.35 7.14 0.08 3.53 1.01 -1.26 -0.60 116.67 126.92 2wra s ASP 20 Ca -0.10 2.32 -0.08 0.00 0.71 0.00 0.00 52.55 55.41 2wra s ASP 20 Cb -0.16 -2.62 -0.01 0.00 1.01 0.00 0.00 42.92 41.14 2wra s ASP 20 CO 0.05 -0.26 0.17 0.72 0.21 0.00 0.00 175.17 176.06 2wra s PHE 21 N -0.85 0.19 0.01 4.23 -0.12 0.09 -4.20 117.98 117.33 2wra s PHE 21 Ca 0.47 -0.63 -0.02 0.00 -0.05 0.00 0.00 56.93 56.71 2wra s PHE 21 Cb -0.33 -0.09 -0.04 0.00 -0.63 0.00 0.00 43.02 41.93 2wra s PHE 21 CO 0.42 -0.53 0.18 1.03 -0.05 0.00 0.00 175.22 176.27 2wra s ARG 22 N -3.86 3.41 -0.09 1.99 1.81 -0.14 -1.20 118.95 120.87 2wra s ARG 22 Ca 0.05 -0.37 0.00 0.00 -1.72 0.00 0.00 55.73 53.69 2wra s ARG 22 Cb 0.05 -3.06 0.02 0.00 -0.45 0.00 0.00 34.95 31.51 2wra s ARG 22 CO -0.11 0.65 -0.08 0.00 -0.68 0.00 0.00 175.30 175.08 2wra s ALA 23 N -1.37 1.20 -0.21 2.13 0.00 0.07 -1.12 121.76 122.45 2wra s ALA 23 Ca 0.29 -0.43 -0.05 0.00 0.00 0.00 0.00 51.96 51.77 2wra s ALA 23 Cb -0.13 -0.76 -0.02 0.00 0.00 0.00 0.00 23.12 22.21 2wra s ALA 23 CO 0.21 -0.24 -0.00 0.42 0.00 0.00 0.00 175.76 176.15 2wra s ILE 24 N 1.37 3.85 -0.09 0.00 -1.09 0.54 -0.71 121.20 125.06 2wra s ILE 24 Ca -0.02 -0.34 -0.00 0.00 -2.23 0.00 0.00 60.65 58.06 2wra s ILE 24 Cb -0.14 -2.75 -0.03 0.00 -1.58 0.00 0.00 42.46 37.97 2wra s ILE 24 CO -0.04 0.42 -0.07 -0.36 -1.23 0.00 0.00 174.94 173.66 2wra s PHE 25 N 1.16 2.94 0.23 3.97 0.08 0.25 -0.75 117.98 125.86 2wra s PHE 25 Ca 0.03 -0.11 -0.20 0.00 0.12 0.00 0.00 56.93 56.77 2wra s PHE 25 Cb -0.14 -1.78 0.03 0.00 -0.57 0.00 0.00 43.02 40.56 2wra s PHE 25 CO 0.01 0.20 0.63 -0.59 -0.10 0.00 0.00 175.22 175.37 2wra s PHE 26 N -0.44 -0.18 0.03 0.36 -0.12 -0.59 -1.18 117.98 115.85 2wra s PHE 26 Ca 0.07 -0.19 0.03 0.00 -0.05 0.00 0.00 56.93 56.79 2wra s PHE 26 Cb -0.12 0.56 -0.02 0.00 -0.63 0.00 0.00 43.02 42.81 2wra s PHE 26 CO 0.02 -1.07 -0.10 0.00 -0.05 0.00 0.00 175.22 174.02 2wra s ALA 27 N -3.89 0.82 -0.63 1.99 0.00 -1.26 -1.17 121.76 117.62 2wra s ALA 27 Ca 0.10 -0.68 0.06 0.00 0.00 0.00 0.00 51.96 51.44 2wra s ALA 27 Cb -0.03 -0.09 0.21 0.00 0.00 0.00 0.00 23.12 23.20 2wra s ALA 27 CO 0.01 0.12 0.58 0.09 0.00 0.00 0.00 175.76 176.56 2wra n ASN 28 N 1.98 2.76 -3.54 0.00 3.02 -0.43 -3.83 115.26 115.23 2wra n ASN 28 Ca -0.18 -3.19 -0.16 0.00 -0.03 0.00 0.00 54.58 51.02 2wra n ASN 28 Cb 0.55 -0.70 -0.06 0.00 -0.61 0.00 0.00 39.78 38.97 2wra n ASN 28 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2wra s ALA 29 N -1.71 -1.82 -0.02 5.41 0.00 -1.26 -4.12 121.76 118.24 2wra s ALA 29 Ca 0.32 1.41 -0.01 0.00 0.00 0.00 0.00 51.96 53.68 2wra s ALA 29 Cb 0.06 -0.23 -0.27 0.00 0.00 0.00 0.00 23.12 22.68 2wra s ALA 29 CO -0.10 -0.35 0.76 0.00 0.00 0.00 0.00 175.76 176.06 2wra h ALA 30 N 2.86 0.37 -2.45 0.00 0.00 -1.95 -2.08 119.26 116.02 2wra h ALA 30 Ca -0.24 -1.21 -0.49 0.00 0.00 0.00 0.00 54.91 52.97 2wra h ALA 30 Cb 1.15 0.37 -0.02 0.00 0.00 0.00 0.00 17.79 19.29 2wra h ALA 30 CO 0.36 1.23 0.24 -1.21 0.00 0.00 0.00 179.25 179.87 2wra s GLU 31 N -2.61 4.40 -0.09 0.00 2.02 -1.26 -4.91 118.70 116.24 2wra s GLU 31 Ca -0.10 1.09 -0.30 0.00 0.02 0.00 0.00 54.97 55.69 2wra s GLU 31 Cb 0.07 -2.77 -0.04 0.00 0.10 0.00 0.00 34.13 31.49 2wra s GLU 31 CO 0.83 0.30 1.51 -1.14 0.02 0.00 0.00 175.26 176.78 2wra s GLN 32 N -2.14 4.20 -0.14 1.61 0.74 -1.26 -4.66 119.66 118.01 2wra s GLN 32 Ca 0.48 1.99 -0.25 0.00 0.05 0.00 0.00 55.36 57.63 2wra s GLN 32 Cb -0.17 -3.90 -0.02 0.00 1.10 0.00 0.00 33.01 30.03 2wra s GLN 32 CO 0.22 -0.79 0.82 -0.65 -0.55 0.00 0.00 175.29 174.34 2wra s GLN 33 N 3.81 4.34 -0.45 1.67 -1.52 0.31 -4.65 119.66 123.17 2wra s GLN 33 Ca 0.66 1.03 -0.17 0.00 -1.95 0.00 0.00 55.36 54.93 2wra s GLN 33 Cb -0.29 -3.55 0.04 0.00 -0.22 0.00 0.00 33.01 28.99 2wra s GLN 33 CO 0.24 -0.25 0.47 -1.01 -0.25 0.00 0.00 175.29 174.49 2wra s HIS 34 N 1.87 3.15 -0.26 0.91 3.76 0.24 -1.28 115.29 123.67 2wra s HIS 34 Ca 0.39 -0.52 -0.01 0.00 -0.15 0.00 0.00 55.06 54.77 2wra s HIS 34 Cb -0.17 -3.10 0.03 0.00 1.11 0.00 0.00 32.58 30.45 2wra s HIS 34 CO 0.14 -0.80 -0.06 0.42 -0.85 0.00 0.00 174.74 173.60 2wra s ILE 35 N 2.16 2.80 -0.07 0.60 1.01 -0.15 -1.21 121.20 126.35 2wra s ILE 35 Ca 0.11 -1.14 0.04 0.00 0.00 0.00 0.00 60.65 59.66 2wra s ILE 35 Cb -0.19 -2.47 -0.01 0.00 0.01 0.00 0.00 42.46 39.80 2wra s ILE 35 CO 0.12 0.13 -0.20 -0.54 0.00 0.00 0.00 174.94 174.45 2wra s LYS 36 N 1.29 2.71 -0.13 2.79 1.02 -0.17 -1.53 119.74 125.73 2wra s LYS 36 Ca -0.01 -0.82 0.00 0.00 0.02 0.00 0.00 55.97 55.16 2wra s LYS 36 Cb -0.17 -2.30 -0.01 0.00 -0.52 0.00 0.00 37.83 34.82 2wra s LYS 36 CO -0.04 0.40 -0.14 -0.51 -0.92 0.00 0.00 175.35 174.14 2wra s LEU 37 N -0.17 2.67 0.07 3.17 1.43 -0.13 -1.24 118.68 124.48 2wra s LEU 37 Ca -0.02 -0.35 0.07 0.00 -1.03 0.00 0.00 54.13 52.80 2wra s LEU 37 Cb -0.14 -1.60 -0.04 0.00 0.03 0.00 0.00 46.19 44.45 2wra s LEU 37 CO 0.04 0.15 -0.15 -0.36 0.23 0.00 0.00 176.35 176.25 2wra s PHE 38 N 0.41 2.62 -0.10 0.29 0.08 0.53 -0.43 117.98 121.37 2wra s PHE 38 Ca -0.11 -0.22 0.02 0.00 0.12 0.00 0.00 56.93 56.74 2wra s PHE 38 Cb -0.16 -1.44 0.01 0.00 -0.57 0.00 0.00 43.02 40.86 2wra s PHE 38 CO 0.05 0.33 -0.15 0.42 -0.10 0.00 0.00 175.22 175.77 2wra s ILE 39 N -1.04 1.47 0.00 0.64 1.01 -1.26 -1.01 121.20 121.00 2wra s ILE 39 Ca 0.17 -0.63 0.00 0.00 0.00 0.00 0.00 60.65 60.19 2wra s ILE 39 Cb -0.11 -1.34 0.00 0.00 0.01 0.00 0.00 42.46 41.02 2wra s ILE 39 CO 0.08 0.43 0.00 0.61 0.00 0.00 0.00 174.94 176.07 2wra n GLY 40 N 4.17 0.58 0.19 6.18 0.00 0.15 -3.89 105.19 112.57 2wra n GLY 40 Ca -0.19 -0.78 0.08 0.00 0.00 0.00 0.00 46.02 45.13 2wra n GLY 40 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 2wra h ASP 41 N 8.69 0.00 -3.77 1.61 3.32 -1.97 -3.47 116.42 120.83 2wra h ASP 41 Ca 0.00 0.00 -0.52 0.00 0.02 0.00 0.00 57.03 56.53 2wra h ASP 41 Cb 0.00 0.00 0.05 0.00 0.22 0.00 0.00 39.33 39.60 2wra h ASP 41 CO 0.00 0.26 0.60 -0.55 -1.72 0.00 0.00 179.24 177.83 2wra s SER 42 N -6.28 6.91 -0.28 6.45 0.15 -1.25 -4.92 113.70 114.48 2wra s SER 42 Ca 0.04 2.54 0.12 0.00 0.70 0.00 0.00 55.95 59.36 2wra s SER 42 Cb 0.07 -2.64 0.80 0.00 -1.71 0.00 0.00 66.02 62.54 2wra s SER 42 CO 0.69 -0.44 1.79 1.67 1.20 0.00 0.00 173.24 178.14 2wra n GLN 43 N 1.22 4.42 -3.14 5.44 -0.06 -1.26 -4.54 117.38 119.46 2wra n GLN 43 Ca 0.01 -3.15 -0.42 0.00 -2.00 0.00 0.00 57.00 51.44 2wra n GLN 43 Cb 0.43 -2.26 -0.07 0.00 -4.06 0.00 0.00 30.24 24.28 2wra n GLN 43 CO 0.00 0.00 0.00 -1.21 -0.20 0.00 0.00 177.06 175.65 2wra s GLU 44 N -2.88 3.56 0.30 3.69 2.02 -1.26 -5.03 118.70 119.10 2wra s GLU 44 Ca 0.55 -0.11 -0.29 0.00 0.02 0.00 0.00 54.97 55.14 2wra s GLU 44 Cb 0.43 -3.85 -0.13 0.00 0.10 0.00 0.00 34.13 30.69 2wra s GLU 44 CO 0.15 -0.79 1.31 -2.30 0.02 0.00 0.00 175.26 173.65 2wra n PRO 45 N 6.03 2.03 0.08 0.39 -0.02 -1.26 -4.80 135.00 137.45 2wra n PRO 45 Ca -0.02 0.72 -0.04 0.00 -2.02 0.00 0.00 63.50 62.13 2wra n PRO 45 Cb 0.48 -2.31 0.15 0.00 -0.02 0.00 0.00 33.50 31.81 2wra n PRO 45 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2wra h ALA 46 N 3.08 0.93 -2.81 3.55 0.00 -1.10 -3.45 119.26 119.45 2wra h ALA 46 Ca -0.45 -0.50 -0.13 0.00 0.00 0.00 0.00 54.91 53.83 2wra h ALA 46 Cb 1.28 -0.09 -0.24 0.00 0.00 0.00 0.00 17.79 18.74 2wra h ALA 46 CO 0.67 0.68 -0.27 0.00 0.00 0.00 0.00 179.25 180.32 2wra s ALA 47 N -3.91 -0.94 -0.11 0.00 0.00 -1.08 -5.01 121.76 110.71 2wra s ALA 47 Ca -0.04 1.10 -0.04 0.00 0.00 0.00 0.00 51.96 52.97 2wra s ALA 47 Cb 0.12 -0.64 0.06 0.00 0.00 0.00 0.00 23.12 22.66 2wra s ALA 47 CO 0.79 -0.18 0.21 -0.47 0.00 0.00 0.00 175.76 176.10 2wra s TYR 48 N 0.27 -0.28 0.10 0.00 5.04 -1.26 -0.95 117.35 120.26 2wra s TYR 48 Ca -0.01 0.73 0.08 0.00 -2.44 0.00 0.00 57.07 55.43 2wra s TYR 48 Cb -0.03 -0.18 -0.03 0.00 0.35 0.00 0.00 41.96 42.07 2wra s TYR 48 CO -0.00 -0.33 -0.20 -1.01 -1.34 0.00 0.00 175.55 172.67 2wra s HIS 49 N 2.35 1.74 -0.29 4.97 3.76 -0.58 -4.99 115.29 122.24 2wra s HIS 49 Ca 0.03 -0.42 0.02 0.00 -0.15 0.00 0.00 55.06 54.53 2wra s HIS 49 Cb -0.12 -0.96 0.08 0.00 1.11 0.00 0.00 32.58 32.70 2wra s HIS 49 CO -0.07 0.19 0.02 0.15 -0.85 0.00 0.00 174.74 174.17 2wra s LYS 50 N -1.87 1.40 0.02 1.40 1.02 -1.25 -0.98 119.74 119.48 2wra s LYS 50 Ca 0.06 -1.37 0.03 0.00 0.02 0.00 0.00 55.97 54.71 2wra s LYS 50 Cb -0.10 -2.70 -0.02 0.00 -0.52 0.00 0.00 37.83 34.49 2wra s LYS 50 CO 0.04 -0.81 -0.09 -0.51 -0.92 0.00 0.00 175.35 173.06 2wra s LEU 51 N 1.24 2.14 0.50 3.17 1.43 -0.41 -4.86 118.68 121.90 2wra s LEU 51 Ca 0.04 -0.35 0.03 0.00 -1.03 0.00 0.00 54.13 52.81 2wra s LEU 51 Cb -0.19 -0.35 -0.01 0.00 0.03 0.00 0.00 46.19 45.67 2wra s LEU 51 CO -0.11 -0.03 0.07 0.42 0.23 0.00 0.00 176.35 176.93 2wra s THR 52 N -0.75 1.36 0.26 5.49 -4.23 -1.26 -0.53 115.64 115.98 2wra s THR 52 Ca -0.02 -1.91 -0.01 0.00 -1.18 0.00 0.00 61.69 58.57 2wra s THR 52 Cb -0.06 -2.27 0.24 0.00 1.34 0.00 0.00 72.50 71.75 2wra s THR 52 CO 0.00 0.00 1.74 0.74 -0.54 0.00 0.00 174.62 176.56 2wra h THR 53 N 1.30 0.65 0.00 3.99 2.02 -1.47 -2.06 112.91 117.33 2wra h THR 53 Ca -0.43 -0.18 0.00 0.00 0.77 0.00 0.00 66.41 66.57 2wra h THR 53 Cb 1.30 0.09 0.00 0.00 -1.74 0.00 0.00 68.15 67.80 2wra h THR 53 CO 0.72 0.09 0.00 -2.11 0.37 0.00 0.00 175.52 174.59 2wra n ARG 54 N -4.95 0.18 0.11 6.66 1.85 -1.26 -2.65 116.66 116.59 2wra n ARG 54 Ca 0.17 0.39 0.13 0.00 -1.00 0.00 0.00 57.85 57.54 2wra n ARG 54 Cb 0.47 -1.83 0.40 0.00 -1.05 0.00 0.00 32.46 30.46 2wra n ARG 54 CO 0.00 0.00 0.00 -0.25 -0.01 0.00 0.00 177.63 177.37 2wra n ASP 55 N -2.15 0.84 0.00 2.89 8.00 -0.77 -5.02 116.55 120.32 2wra n ASP 55 Ca 0.02 0.58 0.00 0.00 0.71 0.00 0.00 54.79 56.10 2wra n ASP 55 Cb 0.23 -0.80 0.00 0.00 -0.02 0.00 0.00 41.12 40.53 2wra n ASP 55 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2wra n GLY 56 N 1.28 0.06 3.95 0.44 0.00 -1.09 -4.91 105.19 104.93 2wra n GLY 56 Ca 0.05 -0.97 -0.23 0.00 0.00 0.00 0.00 46.02 44.87 2wra n GLY 56 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2wra s PRO 57 N 0.00 3.48 0.05 1.61 0.04 -1.26 -4.61 135.00 134.30 2wra s PRO 57 Ca 0.00 -0.40 0.04 0.00 0.04 0.00 0.00 61.00 60.68 2wra s PRO 57 Cb 0.00 -2.71 -0.02 0.00 0.04 0.00 0.00 34.50 31.81 2wra s PRO 57 CO 0.00 0.21 -0.13 1.03 0.04 0.00 0.00 177.00 178.15 2wra s ARG 58 N -4.22 0.82 -0.09 4.56 1.81 -0.32 -4.98 118.95 116.53 2wra s ARG 58 Ca 0.39 -0.78 0.03 0.00 -1.72 0.00 0.00 55.73 53.65 2wra s ARG 58 Cb -0.10 -0.80 0.01 0.00 -0.45 0.00 0.00 34.95 33.62 2wra s ARG 58 CO 0.35 0.19 -0.17 -2.00 -0.68 0.00 0.00 175.30 172.98 2wra s GLU 59 N -1.29 2.35 0.03 3.54 2.12 -1.26 -0.58 118.70 123.60 2wra s GLU 59 Ca -0.01 -0.63 0.03 0.00 0.36 0.00 0.00 54.97 54.72 2wra s GLU 59 Cb -0.08 -1.87 -0.04 0.00 0.26 0.00 0.00 34.13 32.40 2wra s GLU 59 CO 0.01 0.06 -0.01 0.00 -0.54 0.00 0.00 175.26 174.78 2wra s ALA 60 N 0.63 3.24 -0.12 6.30 0.00 0.11 -4.97 121.76 126.94 2wra s ALA 60 Ca -0.14 -1.01 0.02 0.00 0.00 0.00 0.00 51.96 50.83 2wra s ALA 60 Cb -0.16 -1.26 -0.00 0.00 0.00 0.00 0.00 23.12 21.70 2wra s ALA 60 CO 0.04 0.66 -0.20 0.99 0.00 0.00 0.00 175.76 177.25 2wra s THR 61 N -1.14 2.34 0.18 0.00 2.01 -1.26 -0.75 115.64 117.02 2wra s THR 61 Ca 0.21 -0.90 -0.00 0.00 0.31 0.00 0.00 61.69 61.30 2wra s THR 61 Cb -0.11 -1.94 -0.04 0.00 0.01 0.00 0.00 72.50 70.41 2wra s THR 61 CO 0.12 0.54 0.08 -0.76 -0.69 0.00 0.00 174.62 173.91 2wra s LEU 62 N 0.53 1.61 -0.06 4.42 1.43 -0.34 -4.99 118.68 121.29 2wra s LEU 62 Ca -0.13 -1.29 0.05 0.00 -1.03 0.00 0.00 54.13 51.74 2wra s LEU 62 Cb -0.17 0.23 -0.02 0.00 0.03 0.00 0.00 46.19 46.26 2wra s LEU 62 CO 0.04 -0.74 -0.19 0.21 0.23 0.00 0.00 176.35 175.90 2wra s ASN 63 N -3.14 3.59 0.05 2.29 3.84 -1.26 -0.73 114.94 119.57 2wra s ASN 63 Ca 0.31 -0.35 0.18 0.00 0.21 0.00 0.00 52.86 53.21 2wra s ASN 63 Cb 0.07 -0.84 0.75 0.00 -0.55 0.00 0.00 41.25 40.68 2wra s ASN 63 CO 0.07 0.29 1.56 -1.54 -2.79 0.00 0.00 177.10 174.70 2wra n SER 64 N 2.65 0.13 0.00 -4.21 3.41 0.23 -4.89 113.62 110.93 2wra n SER 64 Ca -0.17 0.53 0.00 0.00 -0.26 0.00 0.00 58.87 58.97 2wra n SER 64 Cb 0.52 -0.56 0.00 0.00 -0.26 0.00 0.00 64.21 63.91 2wra n SER 64 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2wra n GLY 65 N 0.20 3.52 0.00 5.00 0.00 -1.26 -0.29 105.19 112.36 2wra n GLY 65 Ca 0.04 -0.10 0.11 0.00 0.00 0.00 0.00 46.02 46.07 2wra n GLY 65 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 2wra n ASN 66 N 6.11 0.00 0.00 1.61 6.94 -1.26 -0.23 115.26 128.43 2wra n ASN 66 Ca 0.00 -0.40 0.00 0.00 -0.02 0.00 0.00 54.58 54.16 2wra n ASN 66 Cb 0.00 -0.12 0.00 0.00 -2.36 0.00 0.00 39.78 37.30 2wra n ASN 66 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 2wra n GLY 67 N 0.41 1.03 3.56 4.83 0.00 0.60 -4.59 105.19 111.03 2wra n GLY 67 Ca 0.14 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.75 2wra n GLY 67 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2wra s LYS 68 N -0.85 3.62 -0.19 1.61 -0.14 -1.26 -0.81 119.74 121.74 2wra s LYS 68 Ca 0.00 -0.24 -0.03 0.00 -1.36 0.00 0.00 55.97 54.34 2wra s LYS 68 Cb 0.00 -3.80 -0.01 0.00 -1.68 0.00 0.00 37.83 32.34 2wra s LYS 68 CO 0.00 -0.58 -0.07 0.42 -0.76 0.00 0.00 175.35 174.37 2wra s ILE 69 N 2.23 3.35 0.03 2.17 -1.09 0.09 -0.67 121.20 127.31 2wra s ILE 69 Ca 0.16 -0.52 0.07 0.00 -2.23 0.00 0.00 60.65 58.13 2wra s ILE 69 Cb -0.16 -2.49 -0.03 0.00 -1.58 0.00 0.00 42.46 38.21 2wra s ILE 69 CO 0.12 0.46 -0.18 -0.13 -1.23 0.00 0.00 174.94 173.99 2wra s ARG 70 N 1.01 2.11 0.00 2.79 0.52 -0.18 -0.25 118.95 124.95 2wra s ARG 70 Ca -0.00 -0.95 0.07 0.00 -0.52 0.00 0.00 55.73 54.33 2wra s ARG 70 Cb -0.15 -2.20 -0.02 0.00 0.52 0.00 0.00 34.95 33.10 2wra s ARG 70 CO -0.00 0.55 -0.23 -0.59 0.02 0.00 0.00 175.30 175.05 2wra s PHE 71 N -0.89 2.04 -0.08 -0.53 -0.12 -0.62 -0.35 117.98 117.43 2wra s PHE 71 Ca 0.14 -0.39 0.00 0.00 -0.05 0.00 0.00 56.93 56.64 2wra s PHE 71 Cb -0.10 -1.28 0.02 0.00 -0.63 0.00 0.00 43.02 41.03 2wra s PHE 71 CO 0.04 0.02 -0.07 -1.21 -0.05 0.00 0.00 175.22 173.95 2wra s GLU 72 N -0.77 1.28 -0.10 1.99 2.02 -0.38 -4.72 118.70 118.03 2wra s GLU 72 Ca 0.09 -0.21 0.03 0.00 0.02 0.00 0.00 54.97 54.90 2wra s GLU 72 Cb -0.09 -1.29 -0.01 0.00 0.10 0.00 0.00 34.13 32.84 2wra s GLU 72 CO 0.00 -0.16 -0.19 0.08 0.02 0.00 0.00 175.26 175.01 2wra s VAL 73 N 1.31 2.52 0.09 2.63 1.01 -1.26 -0.99 120.40 125.71 2wra s VAL 73 Ca -0.04 -0.87 -0.09 0.00 0.00 0.00 0.00 61.98 60.99 2wra s VAL 73 Cb -0.14 -2.00 -0.00 0.00 0.00 0.00 0.00 36.38 34.24 2wra s VAL 73 CO -0.03 0.55 0.20 -0.94 0.00 0.00 0.00 175.10 174.88 2wra s SER 74 N 0.14 0.11 -0.06 3.32 1.04 -0.35 -0.58 113.70 117.32 2wra s SER 74 Ca -0.10 -0.66 0.00 0.00 0.48 0.00 0.00 55.95 55.67 2wra s SER 74 Cb -0.16 0.35 0.02 0.00 0.10 0.00 0.00 66.02 66.34 2wra s SER 74 CO 0.06 -0.74 -0.03 -0.69 0.98 0.00 0.00 173.24 172.81 2wra s VAL 75 N -3.87 0.52 -1.43 5.02 1.01 -0.86 -0.60 120.40 120.18 2wra s VAL 75 Ca 0.06 -0.05 -0.06 0.00 0.00 0.00 0.00 61.98 61.93 2wra s VAL 75 Cb 0.05 -0.59 0.03 0.00 0.00 0.00 0.00 36.38 35.87 2wra s VAL 75 CO -0.10 0.25 0.52 -3.20 0.00 0.00 0.00 175.10 172.56 2wra n ASN 76 N 4.50 -5.09 0.00 3.32 5.15 -1.26 -0.98 115.26 120.90 2wra n ASN 76 Ca -0.18 -0.29 0.00 0.00 -0.60 0.00 0.00 54.58 53.51 2wra n ASN 76 Cb 0.50 -4.15 0.00 0.00 -0.53 0.00 0.00 39.78 35.60 2wra n ASN 76 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 2wra n GLY 77 N -1.34 1.50 3.66 8.20 0.00 -1.26 -5.00 105.19 110.95 2wra n GLY 77 Ca -0.08 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.55 2wra n GLY 77 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2wra s LYS 78 N -0.07 4.19 0.30 1.61 1.02 -0.16 -5.02 119.74 121.61 2wra s LYS 78 Ca 0.00 0.41 -0.30 0.00 0.02 0.00 0.00 55.97 56.10 2wra s LYS 78 Cb 0.00 -3.56 -0.11 0.00 -0.52 0.00 0.00 37.83 33.64 2wra s LYS 78 CO 0.00 -0.14 1.59 -2.14 -0.92 0.00 0.00 175.35 173.74 2wra s PRO 79 N 1.62 4.12 0.46 -1.68 0.02 -1.26 -2.04 135.00 136.24 2wra s PRO 79 Ca 0.24 2.58 -0.19 0.00 0.02 0.00 0.00 61.00 63.65 2wra s PRO 79 Cb -0.15 -3.02 -0.10 0.00 0.02 0.00 0.00 34.50 31.25 2wra s PRO 79 CO 0.10 -0.63 0.97 -1.12 -0.33 0.00 0.00 177.00 175.98 2wra s SER 80 N 0.47 6.79 0.34 2.53 0.01 0.25 -4.91 113.70 119.18 2wra s SER 80 Ca 0.63 1.67 -0.29 0.00 1.31 0.00 0.00 55.95 59.27 2wra s SER 80 Cb -0.48 -2.53 -0.10 0.00 0.21 0.00 0.00 66.02 63.12 2wra s SER 80 CO 0.49 -0.47 1.35 0.00 0.41 0.00 0.00 173.24 175.02 2wra s ALA 81 N -2.31 3.52 0.17 1.44 0.00 -0.95 -4.84 121.76 118.79 2wra s ALA 81 Ca 0.61 1.34 0.06 0.00 0.00 0.00 0.00 51.96 53.97 2wra s ALA 81 Cb -0.10 -3.51 -0.04 0.00 0.00 0.00 0.00 23.12 19.47 2wra s ALA 81 CO 0.19 -0.74 -0.12 0.95 0.00 0.00 0.00 175.76 176.04 2wra s THR 82 N -1.12 1.41 0.13 0.00 -4.23 -1.26 -1.17 115.64 109.40 2wra s THR 82 Ca 0.50 -2.11 -0.08 0.00 -1.18 0.00 0.00 61.69 58.82 2wra s THR 82 Cb -0.41 -1.92 -0.01 0.00 1.34 0.00 0.00 72.50 71.50 2wra s THR 82 CO 0.55 -0.67 0.23 -0.62 -0.54 0.00 0.00 174.62 173.57 2wra s ASP 83 N -3.20 0.09 0.15 3.99 -1.08 -0.68 -4.66 116.67 111.27 2wra s ASP 83 Ca 0.19 -0.82 -0.23 0.00 -0.52 0.00 0.00 52.55 51.16 2wra s ASP 83 Cb 0.01 0.39 0.07 0.00 -1.46 0.00 0.00 42.92 41.93 2wra s ASP 83 CO 0.03 -0.82 0.59 0.00 0.52 0.00 0.00 175.17 175.49 2wra s ALA 84 N -3.94 -1.58 0.23 3.66 0.00 -1.26 -1.06 121.76 117.82 2wra s ALA 84 Ca 0.13 0.51 -0.15 0.00 0.00 0.00 0.00 51.96 52.45 2wra s ALA 84 Cb 0.04 0.83 0.01 0.00 0.00 0.00 0.00 23.12 24.00 2wra s ALA 84 CO -0.04 -0.74 0.52 -0.98 0.00 0.00 0.00 175.76 174.52 2wra s ARG 85 N -3.61 1.50 0.05 0.00 1.70 -0.19 -4.59 118.95 113.82 2wra s ARG 85 Ca 0.00 -1.07 -0.02 0.00 -0.47 0.00 0.00 55.73 54.17 2wra s ARG 85 Cb -0.01 0.50 -0.04 0.00 -0.57 0.00 0.00 34.95 34.83 2wra s ARG 85 CO -0.12 -0.64 0.24 -0.51 -1.08 0.00 0.00 175.30 173.19 2wra s LEU 86 N -2.95 4.35 -0.41 -1.89 1.43 -1.26 -0.77 118.68 117.17 2wra s LEU 86 Ca 0.16 0.38 0.09 0.00 -1.03 0.00 0.00 54.13 53.72 2wra s LEU 86 Cb -0.01 -2.89 0.29 0.00 0.03 0.00 0.00 46.19 43.61 2wra s LEU 86 CO 0.04 0.19 0.75 0.00 0.23 0.00 0.00 176.35 177.56 2wra n ALA 87 N 0.54 1.06 -1.73 4.21 0.00 -0.33 -4.97 120.51 119.28 2wra n ALA 87 Ca -0.07 -2.71 -0.34 0.00 0.00 0.00 0.00 53.44 50.31 2wra n ALA 87 Cb 0.52 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.97 2wra n ALA 87 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 2wra s PRO 88 N -0.99 3.37 -0.24 0.00 0.04 -1.26 -3.97 135.00 131.95 2wra s PRO 88 Ca 0.34 1.49 -0.08 0.00 0.04 0.00 0.00 61.00 62.80 2wra s PRO 88 Cb 0.26 -2.02 -0.03 0.00 0.04 0.00 0.00 34.50 32.75 2wra s PRO 88 CO -0.12 -0.81 0.08 0.42 0.04 0.00 0.00 177.00 176.61 2wra s ILE 89 N -1.95 4.46 -0.24 0.56 1.01 0.24 -4.97 121.20 120.30 2wra s ILE 89 Ca 0.70 -0.13 -0.01 0.00 0.00 0.00 0.00 60.65 61.21 2wra s ILE 89 Cb -0.21 -3.07 0.03 0.00 0.01 0.00 0.00 42.46 39.21 2wra s ILE 89 CO 0.28 0.35 -0.08 0.20 0.00 0.00 0.00 174.94 175.70 2wra s ASN 90 N 1.43 4.21 0.00 3.58 -0.87 -1.26 -0.98 114.94 121.05 2wra s ASN 90 Ca 0.06 -0.85 0.00 0.00 -1.57 0.00 0.00 52.86 50.49 2wra s ASN 90 Cb -0.15 -1.65 0.00 0.00 -0.02 0.00 0.00 41.25 39.44 2wra s ASN 90 CO 0.04 -0.11 0.00 0.61 -2.57 0.00 0.00 177.10 175.07 2wra n GLY 91 N 4.66 4.58 3.18 0.66 0.00 -0.65 -4.98 105.19 112.64 2wra n GLY 91 Ca -0.17 -1.71 -0.29 0.00 0.00 0.00 0.00 46.02 43.85 2wra n GLY 91 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2wra s LYS 92 N -1.09 2.24 0.01 1.61 1.02 -1.26 -1.35 119.74 120.93 2wra s LYS 92 Ca 0.00 -0.73 -0.21 0.00 0.02 0.00 0.00 55.97 55.04 2wra s LYS 92 Cb 0.00 -1.87 -0.18 0.00 -0.52 0.00 0.00 37.83 35.26 2wra s LYS 92 CO 0.00 0.26 1.23 0.87 -0.92 0.00 0.00 175.35 176.79 2wra h LYS 93 N 6.33 0.33 -0.73 1.68 1.57 -1.95 -3.47 116.57 120.33 2wra h LYS 93 Ca -0.30 -0.23 0.19 0.00 -1.87 0.00 0.00 60.65 58.44 2wra h LYS 93 Cb 1.19 0.04 -0.14 0.00 0.08 0.00 0.00 32.23 33.40 2wra h LYS 93 CO 0.47 0.85 -0.02 0.41 -0.57 0.00 0.00 179.45 180.59 2wra n GLY 96 N 0.54 -1.03 3.80 3.86 0.00 -1.26 -5.00 105.19 106.11 2wra n GLY 96 Ca -0.08 0.72 -0.32 0.00 0.00 0.00 0.00 46.02 46.35 2wra n GLY 96 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2wra s SER 97 N -5.04 5.63 0.52 1.61 1.04 -1.26 -5.01 113.70 111.19 2wra s SER 97 Ca -0.10 1.79 -0.19 0.00 0.48 0.00 0.00 55.95 57.93 2wra s SER 97 Cb 0.21 -2.53 -0.07 0.00 0.10 0.00 0.00 66.02 63.73 2wra s SER 97 CO 0.57 -1.27 1.06 -2.16 0.98 0.00 0.00 173.24 172.41 2wra s PRO 98 N -4.27 3.63 0.10 4.02 0.04 -1.26 -4.39 135.00 132.87 2wra s PRO 98 Ca 0.63 1.38 0.03 0.00 0.04 0.00 0.00 61.00 63.07 2wra s PRO 98 Cb -0.16 -2.07 -0.04 0.00 0.04 0.00 0.00 34.50 32.27 2wra s PRO 98 CO 0.41 -0.58 -0.08 -0.59 0.04 0.00 0.00 177.00 176.20 2wra s PHE 99 N -2.03 0.99 -0.03 0.56 -0.12 -0.45 -4.78 117.98 112.11 2wra s PHE 99 Ca 0.68 -0.77 0.01 0.00 -0.05 0.00 0.00 56.93 56.80 2wra s PHE 99 Cb -0.18 -0.55 0.01 0.00 -0.63 0.00 0.00 43.02 41.68 2wra s PHE 99 CO 0.24 -0.06 -0.05 0.99 -0.05 0.00 0.00 175.22 176.29 2wra s THR 100 N -3.01 0.56 -0.17 -4.49 2.01 -1.26 -1.64 115.64 107.63 2wra s THR 100 Ca 0.09 -0.18 -0.01 0.00 0.31 0.00 0.00 61.69 61.90 2wra s THR 100 Cb 0.01 -0.55 -0.00 0.00 0.01 0.00 0.00 72.50 71.97 2wra s THR 100 CO -0.02 0.21 -0.13 -0.69 -0.69 0.00 0.00 174.62 173.30 2wra s VAL 101 N 0.60 2.78 -0.05 3.82 1.01 -0.16 -4.79 120.40 123.63 2wra s VAL 101 Ca -0.08 -0.72 -0.09 0.00 0.00 0.00 0.00 61.98 61.09 2wra s VAL 101 Cb -0.12 -2.20 -0.05 0.00 0.00 0.00 0.00 36.38 34.02 2wra s VAL 101 CO 0.00 0.50 0.26 0.20 0.00 0.00 0.00 175.10 176.05 2wra s ASN 102 N 1.03 6.54 0.02 3.32 0.01 0.19 -0.60 114.94 125.46 2wra s ASN 102 Ca -0.01 0.64 0.03 0.00 -0.71 0.00 0.00 52.86 52.81 2wra s ASN 102 Cb -0.15 -2.13 -0.01 0.00 0.41 0.00 0.00 41.25 39.37 2wra s ASN 102 CO -0.03 0.34 -0.09 -0.36 -1.51 0.00 0.00 177.10 175.46 2wra s PHE 103 N -1.12 0.75 0.06 2.20 0.08 -1.25 -1.83 117.98 116.88 2wra s PHE 103 Ca 0.21 -0.29 0.07 0.00 0.12 0.00 0.00 56.93 57.04 2wra s PHE 103 Cb -0.14 -0.46 -0.03 0.00 -0.57 0.00 0.00 43.02 41.82 2wra s PHE 103 CO 0.10 -0.02 -0.20 0.20 -0.10 0.00 0.00 175.22 175.20 2wra s GLY 104 N -0.84 1.10 -0.04 4.36 0.00 -0.22 -1.19 107.32 110.50 2wra s GLY 104 Ca -0.02 -1.09 0.01 0.00 0.00 0.00 0.00 44.72 43.62 2wra s GLY 104 CO 0.00 -1.05 -0.04 -0.42 0.00 0.00 0.00 173.10 171.59 2wra s ILE 105 N -0.95 0.47 -0.04 0.90 1.01 0.05 -0.32 121.20 122.32 2wra s ILE 105 Ca 0.06 -0.10 0.05 0.00 0.00 0.00 0.00 60.65 60.66 2wra s ILE 105 Cb -0.09 -0.50 -0.01 0.00 0.01 0.00 0.00 42.46 41.87 2wra s ILE 105 CO 0.03 0.21 -0.20 0.54 0.00 0.00 0.00 174.94 175.51 2wra s VAL 106 N 0.85 1.64 0.30 2.92 0.11 -0.11 -1.02 120.40 125.10 2wra s VAL 106 Ca -0.11 -0.85 0.05 0.00 -2.93 0.00 0.00 61.98 58.15 2wra s VAL 106 Cb -0.14 -1.39 -0.06 0.00 -1.53 0.00 0.00 36.38 33.26 2wra s VAL 106 CO 0.00 0.47 -0.01 0.68 -3.33 0.00 0.00 175.10 172.91 2wra s VAL 107 N -0.12 1.47 0.13 2.04 -7.23 -0.23 -1.67 120.40 114.79 2wra s VAL 107 Ca -0.01 -2.07 -0.24 0.00 -1.81 0.00 0.00 61.98 57.85 2wra s VAL 107 Cb -0.11 -2.59 0.07 0.00 0.56 0.00 0.00 36.38 34.31 2wra s VAL 107 CO 0.02 -0.18 0.63 -0.94 -0.31 0.00 0.00 175.10 174.32 2wra s SER 108 N -3.46 -0.56 -0.09 4.85 1.04 -1.11 -1.69 113.70 112.67 2wra s SER 108 Ca 0.32 0.06 0.01 0.00 0.48 0.00 0.00 55.95 56.82 2wra s SER 108 Cb 0.06 0.57 0.02 0.00 0.10 0.00 0.00 66.02 66.77 2wra s SER 108 CO 0.13 -0.91 -0.11 -0.70 0.98 0.00 0.00 173.24 172.64 2wra s GLU 109 N -3.47 1.74 0.00 4.02 2.56 -0.32 -1.32 118.70 121.92 2wra s GLU 109 Ca 0.00 -0.38 0.26 0.00 0.00 0.00 0.00 54.97 54.85 2wra s GLU 109 Cb -0.01 -1.58 0.63 0.00 2.00 0.00 0.00 34.13 35.18 2wra s GLU 109 CO -0.11 -0.11 1.49 -0.40 -0.56 0.00 0.00 175.26 175.58 2wra n ASP 110 N 4.32 1.39 0.00 -1.70 5.68 -1.26 -2.23 116.55 122.75 2wra n ASP 110 Ca -0.18 -1.17 0.00 0.00 -0.50 0.00 0.00 54.79 52.94 2wra n ASP 110 Cb 0.51 0.17 0.00 0.00 -1.14 0.00 0.00 41.12 40.66 2wra n ASP 110 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2wra n GLY 111 N 1.33 0.83 0.23 6.12 0.00 -1.26 -4.96 105.19 107.48 2wra n GLY 111 Ca 0.13 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.25 2wra n GLY 111 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 173.32 173.77 2wra h HIS 112 N 0.00 0.00 -0.58 1.61 3.86 -2.03 -3.47 115.15 114.53 2wra h HIS 112 Ca 0.00 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.21 2wra h HIS 112 Cb 0.00 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.47 2wra h HIS 112 CO 0.00 0.22 0.00 -0.40 0.86 0.00 0.00 177.93 178.61 2wra n ASP 113 N -3.43 0.00 -2.36 2.45 5.68 -1.26 -5.08 116.55 112.54 2wra n ASP 113 Ca -0.00 0.00 -0.14 0.00 -0.50 0.00 0.00 54.79 54.14 2wra n ASP 113 Cb 0.41 0.00 0.03 0.00 -1.14 0.00 0.00 41.12 40.42 2wra n ASP 113 CO 0.00 0.00 0.00 -1.20 -1.33 0.00 0.00 177.20 174.67 2wra n SER 114 N 0.00 3.55 0.15 -1.12 7.64 -1.26 -4.84 113.62 117.73 2wra n SER 114 Ca 0.00 -3.05 0.12 0.00 1.01 0.00 0.00 58.87 56.95 2wra n SER 114 Cb 0.00 -0.40 0.07 0.00 -1.01 0.00 0.00 64.21 62.87 2wra n SER 114 CO 0.00 0.00 0.00 -2.24 -3.01 0.00 0.00 175.04 169.79 2wra h ASP 115 N 2.37 0.00 -2.89 6.43 2.03 -1.98 -3.48 116.42 118.90 2wra h ASP 115 Ca 0.16 -0.00 -0.37 0.00 -0.73 0.00 0.00 57.03 56.08 2wra h ASP 115 Cb 1.42 0.00 -0.04 0.00 -0.83 0.00 0.00 39.33 39.88 2wra h ASP 115 CO 0.53 0.00 -0.46 -1.22 -1.03 0.00 0.00 179.24 177.06 2wra n TYR 116 N -2.83 -0.95 -0.52 4.15 4.02 -1.26 -4.84 117.16 114.93 2wra n TYR 116 Ca 0.02 0.00 0.04 0.00 -0.01 0.00 0.00 57.90 57.94 2wra n TYR 116 Cb 0.54 -3.58 0.05 0.00 -0.02 0.00 0.00 39.34 36.33 2wra n TYR 116 CO 0.00 0.00 0.00 0.27 -1.01 0.00 0.00 176.86 176.12 2wra n ASN 117 N -1.82 1.94 -0.03 7.72 6.94 -1.06 -3.15 115.26 125.80 2wra n ASN 117 Ca -0.22 -2.35 -0.14 0.00 -0.02 0.00 0.00 54.58 51.86 2wra n ASN 117 Cb 0.66 -0.17 -0.10 0.00 -2.36 0.00 0.00 39.78 37.81 2wra n ASN 117 CO 0.00 0.00 0.00 0.44 -1.03 0.00 0.00 177.26 176.67 2wra h ASP 118 N 0.00 0.11 -3.24 0.53 3.32 -1.35 -3.03 116.42 112.75 2wra h ASP 118 Ca 0.00 -0.62 -0.53 0.00 0.02 0.00 0.00 57.03 55.90 2wra h ASP 118 Cb 0.75 -0.03 -0.36 0.00 0.22 0.00 0.00 39.33 39.90 2wra h ASP 118 CO 0.00 0.71 -0.81 -0.83 -1.72 0.00 0.00 179.24 176.59 2wra s GLY 119 N -3.52 0.85 -0.02 2.75 0.00 -1.25 -1.32 107.32 104.82 2wra s GLY 119 Ca -0.16 -0.55 0.05 0.00 0.00 0.00 0.00 44.72 44.06 2wra s GLY 119 CO 0.70 0.57 -0.15 -0.42 0.00 0.00 0.00 173.10 173.80 2wra s ILE 120 N 1.37 1.21 -0.02 0.90 1.01 -0.31 -2.76 121.20 122.60 2wra s ILE 120 Ca -0.01 -0.65 0.04 0.00 0.00 0.00 0.00 60.65 60.03 2wra s ILE 120 Cb -0.14 -1.02 -0.01 0.00 0.01 0.00 0.00 42.46 41.31 2wra s ILE 120 CO -0.05 0.35 -0.13 -0.69 0.00 0.00 0.00 174.94 174.41 2wra s VAL 121 N -0.28 1.06 -0.15 2.92 1.01 -0.67 -1.55 120.40 122.75 2wra s VAL 121 Ca 0.04 -0.56 0.01 0.00 0.00 0.00 0.00 61.98 61.48 2wra s VAL 121 Cb -0.07 -0.89 0.00 0.00 0.00 0.00 0.00 36.38 35.42 2wra s VAL 121 CO -0.00 0.30 -0.18 -0.69 0.00 0.00 0.00 175.10 174.53 2wra s VAL 122 N -0.20 2.43 -0.00 2.92 1.01 0.07 -0.94 120.40 125.69 2wra s VAL 122 Ca 0.03 -0.86 -0.04 0.00 0.00 0.00 0.00 61.98 61.12 2wra s VAL 122 Cb -0.06 -2.00 -0.04 0.00 0.00 0.00 0.00 36.38 34.27 2wra s VAL 122 CO -0.00 0.53 0.21 -0.76 0.00 0.00 0.00 175.10 175.08 2wra s LEU 123 N 0.79 4.37 -0.08 3.92 1.43 0.57 -0.34 118.68 129.33 2wra s LEU 123 Ca -0.07 0.41 -0.07 0.00 -1.03 0.00 0.00 54.13 53.37 2wra s LEU 123 Cb -0.15 -2.65 0.03 0.00 0.03 0.00 0.00 46.19 43.44 2wra s LEU 123 CO -0.00 0.25 0.22 -1.58 0.23 0.00 0.00 176.35 175.47 2wra s GLN 124 N -1.91 0.24 0.19 1.70 -0.44 -0.28 -1.05 119.66 118.11 2wra s GLN 124 Ca 0.28 0.34 -0.20 0.00 -2.50 0.00 0.00 55.36 53.27 2wra s GLN 124 Cb -0.13 0.07 0.04 0.00 -1.64 0.00 0.00 33.01 31.36 2wra s GLN 124 CO 0.18 -0.06 0.59 1.67 0.50 0.00 0.00 175.29 178.17 2wra s TRP 125 N 0.34 -0.32 0.83 1.67 -2.14 -0.76 -0.97 118.94 117.59 2wra s TRP 125 Ca -0.02 0.01 -0.11 0.00 2.66 0.00 0.00 56.10 58.64 2wra s TRP 125 Cb -0.03 0.52 0.09 0.00 -3.10 0.00 0.00 33.47 30.94 2wra s TRP 125 CO -0.01 -0.93 1.09 -1.25 -2.66 0.00 0.00 176.95 173.18 2wra s PRO 126 N -3.82 1.80 -0.03 3.25 0.04 -1.26 -0.64 135.00 134.34 2wra s PRO 126 Ca 0.06 0.93 0.09 0.00 0.04 0.00 0.00 61.00 62.12 2wra s PRO 126 Cb -0.02 -1.86 0.24 0.00 0.04 0.00 0.00 34.50 32.90 2wra s PRO 126 CO -0.06 -1.90 1.19 0.44 0.04 0.00 0.00 177.00 176.72 2wra n ILE 127 N -3.66 1.19 0.00 0.56 -5.35 -1.26 -4.96 119.36 105.87 2wra n ILE 127 Ca 0.08 -1.17 0.00 0.00 -0.27 0.00 0.00 62.75 61.39 2wra n ILE 127 Cb 0.54 0.38 0.00 0.00 -1.74 0.00 0.00 39.64 38.82 2wra n ILE 127 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40