#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2joe n GLY 2 N 0.00 1.53 2.71 3.03 0.00 -1.26 -4.78 105.19 106.42 2joe n GLY 2 Ca 0.00 -0.03 -0.01 0.00 0.00 0.00 0.00 46.02 45.98 2joe n GLY 2 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2joe n ASP 3 N 3.73 -6.53 -4.65 1.61 8.00 -1.26 -4.87 116.55 112.58 2joe n ASP 3 Ca 0.00 1.41 -0.43 0.00 0.71 0.00 0.00 54.79 56.49 2joe n ASP 3 Cb 0.00 -5.28 -0.02 0.00 -0.02 0.00 0.00 41.12 35.80 2joe n ASP 3 CO 0.00 0.00 0.00 -1.59 -0.39 0.00 0.00 177.20 175.22 2joe s LYS 4 N -1.44 4.08 -0.43 -1.24 -2.85 -1.26 -4.98 119.74 111.63 2joe s LYS 4 Ca -0.06 1.59 -0.22 0.00 -1.00 0.00 0.00 55.97 56.29 2joe s LYS 4 Cb 0.00 -3.85 0.02 0.00 -2.06 0.00 0.00 37.83 31.94 2joe s LYS 4 CO 0.78 -0.92 0.72 -1.83 0.10 0.00 0.00 175.35 174.20 2joe s GLU 5 N 3.90 3.43 -0.01 1.78 -1.05 -1.26 -4.57 118.70 120.92 2joe s GLU 5 Ca 0.59 -0.13 -0.00 0.00 -0.15 0.00 0.00 54.97 55.28 2joe s GLU 5 Cb -0.22 -3.91 -0.04 0.00 -0.44 0.00 0.00 34.13 29.52 2joe s GLU 5 CO 0.20 -1.01 0.07 -2.00 0.95 0.00 0.00 175.26 173.48 2joe s GLU 6 N 3.05 3.05 -0.20 -4.83 2.12 -0.11 -4.83 118.70 116.94 2joe s GLU 6 Ca 0.27 -0.49 -0.14 0.00 0.36 0.00 0.00 54.97 54.97 2joe s GLU 6 Cb -0.13 -2.85 -0.04 0.00 0.26 0.00 0.00 34.13 31.37 2joe s GLU 6 CO 0.20 0.65 0.32 -1.12 -0.54 0.00 0.00 175.26 174.76 2joe s SER 7 N -1.70 6.36 -0.27 -1.70 0.01 -1.26 -0.97 113.70 114.16 2joe s SER 7 Ca 0.22 0.41 -0.03 0.00 1.31 0.00 0.00 55.95 57.86 2joe s SER 7 Cb -0.12 -2.19 0.02 0.00 0.21 0.00 0.00 66.02 63.94 2joe s SER 7 CO 0.13 -0.00 -0.01 -0.54 0.41 0.00 0.00 173.24 173.23 2joe s LYS 8 N 1.07 2.87 -0.23 12.44 -0.14 0.49 -4.84 119.74 131.39 2joe s LYS 8 Ca 0.16 -0.97 -0.01 0.00 -1.36 0.00 0.00 55.97 53.79 2joe s LYS 8 Cb -0.14 -3.13 0.03 0.00 -1.68 0.00 0.00 37.83 32.90 2joe s LYS 8 CO 0.06 -0.44 -0.10 0.21 -0.76 0.00 0.00 175.35 174.33 2joe s LYS 9 N 1.37 2.84 0.27 1.68 2.20 -0.66 -0.73 119.74 126.72 2joe s LYS 9 Ca 0.00 -0.96 0.08 0.00 -0.36 0.00 0.00 55.97 54.73 2joe s LYS 9 Cb -0.17 -2.88 -0.04 0.00 -1.51 0.00 0.00 37.83 33.23 2joe s LYS 9 CO -0.02 -0.36 0.11 -0.59 -0.36 0.00 0.00 175.35 174.13 2joe s PHE 10 N 1.30 2.88 -0.23 4.03 -0.12 -0.74 -0.99 117.98 124.12 2joe s PHE 10 Ca 0.01 -0.20 -0.03 0.00 -0.05 0.00 0.00 56.93 56.66 2joe s PHE 10 Cb -0.16 -1.36 0.10 0.00 -0.63 0.00 0.00 43.02 40.98 2joe s PHE 10 CO -0.06 0.53 0.24 0.45 -0.05 0.00 0.00 175.22 176.32 2joe s SER 11 N -3.78 1.48 -0.29 1.98 0.15 -0.20 -1.08 113.70 111.96 2joe s SER 11 Ca 0.33 -0.35 -0.07 0.00 0.70 0.00 0.00 55.95 56.57 2joe s SER 11 Cb -0.07 0.41 0.00 0.00 -1.71 0.00 0.00 66.02 64.65 2joe s SER 11 CO 0.23 -0.34 0.07 0.00 1.20 0.00 0.00 173.24 174.40 2joe s ALA 12 N 2.33 3.07 -0.68 5.45 0.00 0.86 -4.41 121.76 128.38 2joe s ALA 12 Ca 0.08 -1.40 -0.20 0.00 0.00 0.00 0.00 51.96 50.44 2joe s ALA 12 Cb -0.15 -2.12 0.11 0.00 0.00 0.00 0.00 23.12 20.95 2joe s ALA 12 CO -0.17 -0.85 0.86 -0.80 0.00 0.00 0.00 175.76 174.79 2joe s ASN 13 N 1.51 6.29 -0.01 0.00 -0.87 -1.26 -1.41 114.94 119.19 2joe s ASN 13 Ca 0.03 -1.49 -0.04 0.00 -1.57 0.00 0.00 52.86 49.79 2joe s ASN 13 Cb -0.17 -2.35 -0.00 0.00 -0.02 0.00 0.00 41.25 38.71 2joe s ASN 13 CO 0.02 -1.17 0.08 -1.48 -2.57 0.00 0.00 177.10 171.98 2joe s LEU 14 N 2.94 1.76 0.00 0.60 0.05 -0.74 -4.85 118.68 118.44 2joe s LEU 14 Ca 0.19 -0.16 0.00 0.00 0.05 0.00 0.00 54.13 54.21 2joe s LEU 14 Cb -0.18 0.41 0.00 0.00 -2.05 0.00 0.00 46.19 44.37 2joe s LEU 14 CO 0.04 -0.24 0.00 -3.20 -0.55 0.00 0.00 176.35 172.39 2joe n ASN 15 N 1.99 -0.87 0.00 1.48 5.15 -1.26 -0.53 115.26 121.22 2joe n ASN 15 Ca -0.20 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 53.78 2joe n ASN 15 Cb 0.57 -1.78 0.00 0.00 -0.53 0.00 0.00 39.78 38.04 2joe n ASN 15 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 2joe n GLY 16 N -1.72 0.37 3.51 8.20 0.00 -1.26 -4.96 105.19 109.33 2joe n GLY 16 Ca 0.00 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.68 2joe n GLY 16 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2joe s THR 17 N -2.05 4.05 -0.75 2.61 -4.23 0.31 -3.45 115.64 112.13 2joe s THR 17 Ca 0.00 -0.30 -0.18 0.00 -1.18 0.00 0.00 61.69 60.04 2joe s THR 17 Cb 0.00 -2.80 0.14 0.00 1.34 0.00 0.00 72.50 71.18 2joe s THR 17 CO 0.00 0.47 0.85 -1.61 -0.54 0.00 0.00 174.62 173.79 2joe s GLU 18 N 0.50 3.35 -0.48 3.99 2.02 0.24 -1.79 118.70 126.53 2joe s GLU 18 Ca -0.02 -1.73 -0.19 0.00 0.02 0.00 0.00 54.97 53.05 2joe s GLU 18 Cb -0.14 -4.50 0.05 0.00 0.10 0.00 0.00 34.13 29.64 2joe s GLU 18 CO 0.02 -1.55 0.61 0.42 0.02 0.00 0.00 175.26 174.78 2joe s ILE 19 N 2.08 4.88 -0.29 -1.63 1.01 -0.50 -0.66 121.20 126.09 2joe s ILE 19 Ca 0.20 -0.33 0.02 0.00 0.00 0.00 0.00 60.65 60.54 2joe s ILE 19 Cb -0.15 -4.25 0.07 0.00 0.01 0.00 0.00 42.46 38.14 2joe s ILE 19 CO -0.02 -0.71 -0.04 0.00 0.00 0.00 0.00 174.94 174.17 2joe s ALA 20 N 2.63 2.72 -0.32 9.38 0.00 -0.30 -0.10 121.76 135.77 2joe s ALA 20 Ca 0.17 -2.00 -0.15 0.00 0.00 0.00 0.00 51.96 49.98 2joe s ALA 20 Cb -0.18 -1.78 -0.02 0.00 0.00 0.00 0.00 23.12 21.14 2joe s ALA 20 CO 0.14 -1.36 0.36 0.42 0.00 0.00 0.00 175.76 175.32 2joe s ILE 21 N 1.08 5.17 -0.86 0.00 1.01 -0.24 -2.22 121.20 125.14 2joe s ILE 21 Ca -0.03 0.21 -0.14 0.00 0.00 0.00 0.00 60.65 60.69 2joe s ILE 21 Cb -0.20 -3.78 0.21 0.00 0.01 0.00 0.00 42.46 38.71 2joe s ILE 21 CO -0.05 -0.01 0.83 -0.89 0.00 0.00 0.00 174.94 174.81 2joe s THR 22 N 2.04 5.55 -0.23 2.92 2.01 0.15 -1.79 115.64 126.30 2joe s THR 22 Ca 0.13 -2.44 -0.14 0.00 0.31 0.00 0.00 61.69 59.55 2joe s THR 22 Cb -0.16 -4.51 -0.04 0.00 0.01 0.00 0.00 72.50 67.79 2joe s THR 22 CO 0.11 -1.09 0.31 -0.72 -0.69 0.00 0.00 174.62 172.54 2joe s TYR 23 N 0.33 3.33 -0.22 4.92 1.13 0.10 -1.48 117.35 125.46 2joe s TYR 23 Ca 0.20 0.44 -0.17 0.00 -1.41 0.00 0.00 57.07 56.14 2joe s TYR 23 Cb -0.09 -2.44 -0.03 0.00 -1.10 0.00 0.00 41.96 38.29 2joe s TYR 23 CO -0.09 -0.02 0.44 0.08 -2.51 0.00 0.00 175.55 173.46 2joe s VAL 24 N 1.34 5.15 0.13 -3.49 1.01 0.13 -0.38 120.40 124.28 2joe s VAL 24 Ca 0.14 0.78 0.09 0.00 0.00 0.00 0.00 61.98 62.99 2joe s VAL 24 Cb -0.14 -3.77 -0.04 0.00 0.00 0.00 0.00 36.38 32.43 2joe s VAL 24 CO 0.07 0.19 -0.19 -0.72 0.00 0.00 0.00 175.10 174.45 2joe s TYR 25 N 1.69 2.49 -0.17 5.22 1.13 -0.15 -0.68 117.35 126.89 2joe s TYR 25 Ca 0.20 -0.29 -0.02 0.00 -1.41 0.00 0.00 57.07 55.56 2joe s TYR 25 Cb -0.15 -1.31 0.05 0.00 -1.10 0.00 0.00 41.96 39.45 2joe s TYR 25 CO 0.09 0.40 -0.00 0.21 -2.51 0.00 0.00 175.55 173.73 2joe s LYS 26 N -2.22 0.97 5.82 -3.49 2.20 0.21 -0.93 119.74 122.31 2joe s LYS 26 Ca 0.18 -0.41 0.00 0.00 -0.36 0.00 0.00 55.97 55.38 2joe s LYS 26 Cb -0.10 -1.93 0.00 0.00 -1.51 0.00 0.00 37.83 34.29 2joe s LYS 26 CO 0.10 -0.52 0.00 0.41 -0.36 0.00 0.00 175.35 174.98 2joe n GLY 27 N 4.98 1.80 0.21 5.54 0.00 -1.26 -3.13 105.19 113.33 2joe n GLY 27 Ca -0.10 -0.52 0.02 0.00 0.00 0.00 0.00 46.02 45.42 2joe n GLY 27 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2joe n ASP 28 N 7.61 1.76 -4.43 1.61 5.75 -1.26 -5.00 116.55 122.59 2joe n ASP 28 Ca 0.00 -1.49 -0.33 0.00 -0.01 0.00 0.00 54.79 52.95 2joe n ASP 28 Cb 0.00 -0.04 -0.13 0.00 -1.03 0.00 0.00 41.12 39.92 2joe n ASP 28 CO 0.00 0.00 0.00 -0.75 -0.11 0.00 0.00 177.20 176.34 2joe s LYS 29 N -0.61 3.52 0.17 0.11 2.20 -1.18 -0.71 119.74 123.22 2joe s LYS 29 Ca 0.07 -0.61 -0.30 0.00 -0.36 0.00 0.00 55.97 54.77 2joe s LYS 29 Cb 0.04 -2.76 -0.07 0.00 -1.51 0.00 0.00 37.83 33.53 2joe s LYS 29 CO 0.06 0.23 1.06 0.08 -0.36 0.00 0.00 175.35 176.42 2joe s VAL 30 N 0.34 4.01 0.00 4.02 1.01 -1.26 -0.62 120.40 127.91 2joe s VAL 30 Ca -0.08 1.73 0.00 0.00 0.00 0.00 0.00 61.98 63.63 2joe s VAL 30 Cb -0.15 -4.11 0.00 0.00 0.00 0.00 0.00 36.38 32.12 2joe s VAL 30 CO 0.04 0.30 0.00 0.18 0.00 0.00 0.00 175.10 175.62 2joe n LEU 31 N 2.42 0.14 -3.80 3.92 4.77 0.15 -4.76 117.00 119.84 2joe n LEU 31 Ca 0.02 0.00 -0.20 0.00 -0.03 0.00 0.00 56.01 55.80 2joe n LEU 31 Cb 0.47 0.00 -0.17 0.00 -2.33 0.00 0.00 43.42 41.39 2joe n LEU 31 CO 0.53 0.02 -0.38 -0.54 -1.33 0.00 0.00 177.39 175.69 2joe s LYS 32 N -1.97 0.50 -0.46 3.23 3.01 -0.83 0.13 119.74 123.34 2joe s LYS 32 Ca 0.00 0.08 -0.08 0.00 -1.01 0.00 0.00 55.97 54.97 2joe s LYS 32 Cb 0.00 -0.76 0.12 0.00 -1.01 0.00 0.00 37.83 36.18 2joe s LYS 32 CO 0.00 -0.22 0.32 -1.14 0.51 0.00 0.00 175.35 174.82 2joe s GLN 33 N 1.52 2.37 -0.80 1.68 0.74 0.61 0.20 119.66 125.98 2joe s GLN 33 Ca -0.02 -1.79 -0.23 0.00 0.05 0.00 0.00 55.36 53.37 2joe s GLN 33 Cb -0.13 -3.85 0.07 0.00 1.10 0.00 0.00 33.01 30.21 2joe s GLN 33 CO -0.03 -1.17 1.14 0.45 -0.55 0.00 0.00 175.29 175.14 2joe s SER 34 N 2.45 6.33 -0.77 6.67 0.15 -0.55 -0.25 113.70 127.73 2joe s SER 34 Ca 0.07 -1.21 -0.16 0.00 0.70 0.00 0.00 55.95 55.35 2joe s SER 34 Cb -0.25 -2.47 0.17 0.00 -1.71 0.00 0.00 66.02 61.77 2joe s SER 34 CO -0.02 -1.44 0.78 -0.44 1.20 0.00 0.00 173.24 173.32 2joe s SER 35 N 3.90 6.58 -0.46 5.45 0.01 0.13 0.33 113.70 129.64 2joe s SER 35 Ca 0.31 -2.27 -0.17 0.00 1.31 0.00 0.00 55.95 55.12 2joe s SER 35 Cb -0.10 -2.26 0.05 0.00 0.21 0.00 0.00 66.02 63.93 2joe s SER 35 CO 0.03 -0.78 0.49 -1.61 0.41 0.00 0.00 173.24 171.79 2joe s GLU 36 N 1.16 3.07 -0.37 12.44 2.02 -0.94 -0.78 118.70 135.31 2joe s GLU 36 Ca 0.17 -0.95 -0.09 0.00 0.02 0.00 0.00 54.97 54.12 2joe s GLU 36 Cb -0.14 -4.05 0.05 0.00 0.10 0.00 0.00 34.13 30.08 2joe s GLU 36 CO -0.05 -1.02 0.18 0.99 0.02 0.00 0.00 175.26 175.37 2joe s THR 37 N 2.18 4.15 -0.71 3.63 2.01 -0.22 -1.15 115.64 125.52 2joe s THR 37 Ca 0.11 -1.11 -0.23 0.00 0.31 0.00 0.00 61.69 60.77 2joe s THR 37 Cb -0.20 -3.39 0.07 0.00 0.01 0.00 0.00 72.50 68.99 2joe s THR 37 CO 0.11 -0.28 1.06 -0.75 -0.69 0.00 0.00 174.62 174.07 2joe s LYS 38 N 1.46 3.18 -0.01 4.92 2.20 0.16 -0.36 119.74 131.30 2joe s LYS 38 Ca 0.01 -0.80 -0.20 0.00 -0.36 0.00 0.00 55.97 54.61 2joe s LYS 38 Cb -0.20 -4.31 -0.05 0.00 -1.51 0.00 0.00 37.83 31.75 2joe s LYS 38 CO 0.04 -1.89 0.59 0.42 -0.36 0.00 0.00 175.35 174.15 2joe s ILE 39 N 4.32 4.91 0.08 5.43 1.01 0.83 -0.59 121.20 137.19 2joe s ILE 39 Ca 0.26 1.24 -0.04 0.00 0.00 0.00 0.00 60.65 62.11 2joe s ILE 39 Cb -0.14 -3.93 -0.05 0.00 0.01 0.00 0.00 42.46 38.36 2joe s ILE 39 CO 0.09 0.42 0.30 -1.10 0.00 0.00 0.00 174.94 174.64 2joe s GLN 40 N -0.18 3.56 1.08 2.79 -1.52 -1.22 -0.26 119.66 123.91 2joe s GLN 40 Ca 0.31 -0.18 -0.16 0.00 -1.95 0.00 0.00 55.36 53.38 2joe s GLN 40 Cb -0.18 -2.98 0.23 0.00 -0.22 0.00 0.00 33.01 29.86 2joe s GLN 40 CO 0.17 0.57 1.13 -0.06 -0.25 0.00 0.00 175.29 176.85 2joe s PHE 41 N -1.50 1.36 0.00 0.91 0.40 -1.20 -2.96 117.98 115.00 2joe s PHE 41 Ca 0.35 0.66 0.00 0.00 -0.60 0.00 0.00 56.93 57.34 2joe s PHE 41 Cb -0.13 -3.46 0.00 0.00 0.51 0.00 0.00 43.02 39.94 2joe s PHE 41 CO 0.23 -3.26 0.00 0.00 0.70 0.00 0.00 175.22 172.89 2joe n ALA 42 N -4.35 0.00 -0.15 5.36 0.00 0.17 -4.31 120.51 117.24 2joe n ALA 42 Ca 0.10 0.00 -0.02 0.00 0.00 0.00 0.00 53.44 53.52 2joe n ALA 42 Cb 0.59 0.00 0.21 0.00 0.00 0.00 0.00 19.45 20.25 2joe n ALA 42 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.50 178.27 2joe h SER 43 N 0.00 0.79 1.18 0.00 0.02 -1.86 -0.47 113.55 113.20 2joe h SER 43 Ca 0.00 -0.11 0.00 0.00 -0.84 0.00 0.00 61.79 60.84 2joe h SER 43 Cb 0.00 -0.20 0.00 0.00 0.14 0.00 0.00 62.40 62.34 2joe h SER 43 CO 0.00 0.72 0.00 -0.29 -1.14 0.00 0.00 176.83 176.12 2joe h ILE 44 N 0.84 0.00 0.00 3.27 2.10 -1.72 -3.46 117.51 118.54 2joe h ILE 44 Ca 0.20 -0.51 0.00 0.00 1.08 0.00 0.00 64.86 65.62 2joe h ILE 44 Cb 0.20 1.44 0.00 0.00 -1.09 0.00 0.00 36.82 37.37 2joe h ILE 44 CO -0.01 0.00 0.00 0.61 -1.08 0.00 0.00 178.15 177.67 2joe n GLY 45 N 0.39 0.55 3.78 8.18 0.00 -0.18 -5.07 105.19 112.84 2joe n GLY 45 Ca 0.02 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.68 2joe n GLY 45 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2joe s ALA 46 N -2.26 3.75 -0.04 4.61 0.00 -1.26 -4.85 121.76 121.71 2joe s ALA 46 Ca 0.00 -0.65 0.21 0.00 0.00 0.00 0.00 51.96 51.52 2joe s ALA 46 Cb 0.00 -2.12 -0.32 0.00 0.00 0.00 0.00 23.12 20.68 2joe s ALA 46 CO 0.00 0.32 0.46 -2.37 0.00 0.00 0.00 175.76 174.17 2joe n THR 47 N 2.96 0.00 -4.20 0.00 5.66 -1.26 -0.65 114.28 116.78 2joe n THR 47 Ca -0.17 -0.47 -0.13 0.00 -3.05 0.00 0.00 64.05 60.23 2joe n THR 47 Cb 0.53 0.04 -0.10 0.00 -1.55 0.00 0.00 70.33 69.24 2joe n THR 47 CO 0.00 0.00 0.00 0.28 -3.05 0.00 0.00 175.07 172.30 2joe s THR 48 N -3.43 0.98 0.45 1.09 -1.32 -1.26 -4.96 115.64 107.19 2joe s THR 48 Ca -0.07 -1.87 0.16 0.00 -1.21 0.00 0.00 61.69 58.69 2joe s THR 48 Cb 0.13 -1.62 0.20 0.00 -1.51 0.00 0.00 72.50 69.70 2joe s THR 48 CO 0.86 -0.70 2.01 0.07 -2.21 0.00 0.00 174.62 174.65 2joe h LYS 49 N 3.12 0.00 0.21 7.08 2.10 -1.86 -0.59 116.57 126.63 2joe h LYS 49 Ca -0.37 0.00 -0.01 0.00 -2.00 0.00 0.00 60.65 58.27 2joe h LYS 49 Cb 1.18 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.52 2joe h LYS 49 CO 0.60 0.17 -0.10 1.49 -2.00 0.00 0.00 179.45 179.60 2joe h GLU 50 N 0.00 -0.27 -0.17 0.07 4.81 -1.96 -0.30 114.58 116.76 2joe h GLU 50 Ca -0.00 0.02 -0.05 0.00 -0.13 0.00 0.00 59.36 59.20 2joe h GLU 50 Cb 0.30 0.06 -0.01 0.00 0.63 0.00 0.00 28.75 29.73 2joe h GLU 50 CO 0.02 -0.07 -0.11 0.22 -0.73 0.00 0.00 179.01 178.34 2joe h ASP 51 N -0.43 0.25 -0.12 1.04 3.58 -1.85 -1.97 116.42 116.91 2joe h ASP 51 Ca -0.03 -0.05 -0.02 0.00 0.42 0.00 0.00 57.03 57.36 2joe h ASP 51 Cb 0.33 -0.07 -0.00 0.00 1.72 0.00 0.00 39.33 41.31 2joe h ASP 51 CO 0.05 0.40 0.02 0.00 -2.88 0.00 0.00 179.24 176.82 2joe h ALA 52 N 1.63 0.16 -0.86 -0.78 0.00 -0.92 -2.98 119.26 115.52 2joe h ALA 52 Ca 0.05 -0.16 -0.02 0.00 0.00 0.00 0.00 54.91 54.78 2joe h ALA 52 Cb 0.36 -0.05 -0.04 0.00 0.00 0.00 0.00 17.79 18.07 2joe h ALA 52 CO 0.02 -0.18 0.44 0.00 0.00 0.00 0.00 179.25 179.54 2joe h ALA 53 N 0.79 1.15 0.00 0.00 0.00 -0.62 0.11 119.26 120.69 2joe h ALA 53 Ca 0.04 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.80 2joe h ALA 53 Cb 0.30 -0.34 0.00 0.00 0.00 0.00 0.00 17.79 17.75 2joe h ALA 53 CO 0.00 0.66 0.00 0.87 0.00 0.00 0.00 179.25 180.78 2joe h LYS 54 N 1.22 0.00 0.02 0.00 1.57 -1.31 0.23 116.57 118.30 2joe h LYS 54 Ca 0.30 0.00 -0.37 0.00 -1.87 0.00 0.00 60.65 58.72 2joe h LYS 54 Cb 0.07 0.00 -0.06 0.00 0.08 0.00 0.00 32.23 32.33 2joe h LYS 54 CO -0.04 0.00 -2.26 2.41 -0.57 0.00 0.00 179.45 178.99 2joe n THR 55 N -2.65 1.52 0.02 -0.16 -1.04 -0.33 -4.64 114.28 107.00 2joe n THR 55 Ca -0.01 -0.71 -0.21 0.00 -2.04 0.00 0.00 64.05 61.07 2joe n THR 55 Cb 0.10 -1.09 -0.14 0.00 -1.82 0.00 0.00 70.33 67.38 2joe n THR 55 CO 0.00 0.00 0.00 -0.07 -0.64 0.00 0.00 175.07 174.36 2joe h LEU 56 N 0.01 0.41 -0.35 -4.42 3.38 0.13 -3.39 115.31 111.09 2joe h LEU 56 Ca -0.50 -0.88 0.07 0.00 0.09 0.00 0.00 57.88 56.66 2joe h LEU 56 Cb 2.06 -0.13 -0.09 0.00 0.09 0.00 0.00 40.66 42.59 2joe h LEU 56 CO 0.00 1.53 -0.32 -0.33 0.09 0.00 0.00 178.44 179.41 2joe h GLU 57 N -0.34 -0.27 -1.03 1.13 5.08 -0.84 0.15 114.58 118.47 2joe h GLU 57 Ca -0.24 0.02 0.35 0.00 -1.00 0.00 0.00 59.36 58.48 2joe h GLU 57 Cb 1.71 0.06 -0.15 0.00 0.50 0.00 0.00 28.75 30.87 2joe h GLU 57 CO 0.09 -0.18 0.59 -1.35 -1.00 0.00 0.00 179.01 177.16 2joe h PRO 58 N -0.28 0.24 0.07 2.33 0.11 -1.80 0.26 132.00 132.93 2joe h PRO 58 Ca 0.16 -0.01 -0.16 0.00 0.11 0.00 0.00 66.00 66.10 2joe h PRO 58 Cb 0.54 -0.05 -0.00 0.00 0.11 0.00 0.00 31.00 31.59 2joe h PRO 58 CO -0.50 0.16 -0.77 -0.07 -0.21 0.00 0.00 178.00 176.61 2joe h LEU 59 N 0.25 0.22 -1.68 2.35 3.38 -1.00 -3.28 115.31 115.55 2joe h LEU 59 Ca 0.76 -0.87 -0.04 0.00 0.09 0.00 0.00 57.88 57.81 2joe h LEU 59 Cb 1.85 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 42.52 2joe h LEU 59 CO -0.61 1.34 -0.19 0.28 0.09 0.00 0.00 178.44 179.35 2joe h SER 60 N -0.66 0.00 0.64 -0.43 0.02 -0.42 -1.18 113.55 111.52 2joe h SER 60 Ca -0.17 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.78 2joe h SER 60 Cb 1.41 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.95 2joe h SER 60 CO 0.02 0.19 0.00 0.00 -1.14 0.00 0.00 176.83 175.90 2joe n ALA 61 N -2.40 2.06 0.04 3.77 0.00 0.87 -2.69 120.51 122.16 2joe n ALA 61 Ca -0.02 -0.09 -0.05 0.00 0.00 0.00 0.00 53.44 53.29 2joe n ALA 61 Cb 0.27 -1.36 0.16 0.00 0.00 0.00 0.00 19.45 18.53 2joe n ALA 61 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 2joe h LYS 62 N 0.00 0.42 -0.09 0.00 1.57 -1.27 -3.17 116.57 114.03 2joe h LYS 62 Ca 0.00 -0.20 -0.02 0.00 -1.87 0.00 0.00 60.65 58.56 2joe h LYS 62 Cb 0.32 -0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.62 2joe h LYS 62 CO 0.00 0.75 -0.00 1.88 -0.57 0.00 0.00 179.45 181.50 2joe h TYR 63 N 0.35 0.18 0.00 -1.35 -1.99 -1.66 -3.44 116.97 109.07 2joe h TYR 63 Ca 0.03 -0.03 0.00 0.00 2.00 0.00 0.00 58.73 60.73 2joe h TYR 63 Cb 0.84 -0.05 0.00 0.00 2.00 0.00 0.00 36.73 39.52 2joe h TYR 63 CO 0.03 0.44 0.00 1.17 -0.00 0.00 0.00 178.16 179.79 2joe n LYS 64 N -4.82 0.00 -2.75 4.88 4.81 -1.20 -0.84 118.16 118.24 2joe n LYS 64 Ca -0.06 0.00 -0.03 0.00 -0.87 0.00 0.00 58.31 57.35 2joe n LYS 64 Cb 0.21 0.00 0.08 0.00 0.02 0.00 0.00 35.03 35.33 2joe n LYS 64 CO 0.00 0.00 0.00 -1.71 1.17 0.00 0.00 177.40 176.86 2joe n ASN 65 N 2.93 0.34 -0.25 3.14 2.85 -1.26 -4.90 115.26 118.10 2joe n ASN 65 Ca 0.00 -2.23 -0.02 0.00 -0.11 0.00 0.00 54.58 52.23 2joe n ASN 65 Cb 0.00 -0.01 0.10 0.00 1.24 0.00 0.00 39.78 41.11 2joe n ASN 65 CO 0.00 0.00 0.00 0.40 -2.11 0.00 0.00 177.26 175.55 2joe h ILE 66 N 4.40 1.04 0.00 -1.44 2.04 -1.30 -3.48 117.51 118.77 2joe h ILE 66 Ca -0.24 -0.28 0.00 0.00 1.00 0.00 0.00 64.86 65.34 2joe h ILE 66 Cb 1.27 0.15 0.00 0.00 -0.74 0.00 0.00 36.82 37.50 2joe h ILE 66 CO 0.10 0.15 0.00 0.00 0.00 0.00 0.00 178.15 178.40 2joe n ALA 67 N -2.33 0.00 -0.90 1.87 0.00 -1.26 -4.01 120.51 113.86 2joe n ALA 67 Ca 0.09 0.00 -0.19 0.00 0.00 0.00 0.00 53.44 53.34 2joe n ALA 67 Cb 0.14 0.00 -0.09 0.00 0.00 0.00 0.00 19.45 19.50 2joe n ALA 67 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2joe n GLY 68 N 0.00 3.07 3.39 0.00 0.00 -1.26 -4.84 105.19 105.55 2joe n GLY 68 Ca 0.00 -1.07 -0.44 0.00 0.00 0.00 0.00 46.02 44.51 2joe n GLY 68 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2joe s VAL 69 N 1.94 4.95 -0.13 1.61 -7.23 -1.24 -2.23 120.40 118.08 2joe s VAL 69 Ca 0.55 -0.89 -0.16 0.00 -1.81 0.00 0.00 61.98 59.66 2joe s VAL 69 Cb 0.21 -4.35 -0.04 0.00 0.56 0.00 0.00 36.38 32.76 2joe s VAL 69 CO -0.02 -0.89 0.40 -1.61 -0.31 0.00 0.00 175.10 172.66 2joe s GLU 70 N 2.36 4.27 -0.34 4.82 0.41 0.47 -4.72 118.70 125.97 2joe s GLU 70 Ca 0.10 0.31 0.02 0.00 -0.41 0.00 0.00 54.97 54.99 2joe s GLU 70 Cb -0.23 -3.41 0.09 0.00 -1.78 0.00 0.00 34.13 28.80 2joe s GLU 70 CO 0.08 0.23 0.06 -1.83 -0.49 0.00 0.00 175.26 173.31 2joe s GLU 71 N 0.43 1.75 -0.55 1.61 4.04 -1.26 -0.89 118.70 123.83 2joe s GLU 71 Ca 0.22 -1.76 -0.11 0.00 0.04 0.00 0.00 54.97 53.36 2joe s GLU 71 Cb -0.14 -3.25 0.14 0.00 0.02 0.00 0.00 34.13 30.90 2joe s GLU 71 CO 0.08 -0.90 0.44 0.15 -1.84 0.00 0.00 175.26 173.19 2joe s LYS 72 N 1.00 2.74 -0.75 -4.83 3.01 -0.26 -4.98 119.74 115.66 2joe s LYS 72 Ca 0.07 -1.91 -0.26 0.00 -1.01 0.00 0.00 55.97 52.86 2joe s LYS 72 Cb -0.20 -4.06 0.04 0.00 -1.01 0.00 0.00 37.83 32.60 2joe s LYS 72 CO -0.06 -1.24 1.24 -0.51 0.51 0.00 0.00 175.35 175.29 2joe s LEU 73 N 1.14 3.40 -0.41 3.17 1.43 -1.26 -0.84 118.68 125.31 2joe s LEU 73 Ca 0.08 -0.64 -0.14 0.00 -1.03 0.00 0.00 54.13 52.40 2joe s LEU 73 Cb -0.25 -2.54 0.03 0.00 0.03 0.00 0.00 46.19 43.47 2joe s LEU 73 CO -0.01 -1.74 0.28 0.42 0.23 0.00 0.00 176.35 175.53 2joe s THR 74 N 5.38 4.99 -0.06 5.49 -4.23 -0.20 -4.96 115.64 122.04 2joe s THR 74 Ca 0.34 -0.81 -0.03 0.00 -1.18 0.00 0.00 61.69 60.00 2joe s THR 74 Cb -0.09 -3.82 0.03 0.00 1.34 0.00 0.00 72.50 69.97 2joe s THR 74 CO 0.12 -0.33 0.14 -0.72 -0.54 0.00 0.00 174.62 173.28 2joe s TYR 75 N 1.62 -0.15 -0.06 3.99 1.13 -1.26 0.01 117.35 122.63 2joe s TYR 75 Ca 0.04 0.44 -0.07 0.00 -1.41 0.00 0.00 57.07 56.07 2joe s TYR 75 Cb -0.20 -0.07 -0.02 0.00 -1.10 0.00 0.00 41.96 40.57 2joe s TYR 75 CO 0.08 -0.14 -0.13 0.25 -2.51 0.00 0.00 175.55 173.10 2joe n THR 76 N 3.98 0.61 0.00 -3.49 -2.24 -1.19 -5.03 114.28 106.92 2joe n THR 76 Ca -0.24 0.33 0.00 0.00 -2.27 0.00 0.00 64.05 61.88 2joe n THR 76 Cb 0.53 -1.80 0.00 0.00 -2.10 0.00 0.00 70.33 66.96 2joe n THR 76 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 2joe n ASP 77 N -3.27 0.00 0.02 3.42 5.75 -1.26 -4.79 116.55 116.42 2joe n ASP 77 Ca -0.05 0.00 -0.15 0.00 -0.01 0.00 0.00 54.79 54.58 2joe n ASP 77 Cb 0.20 0.00 -0.14 0.00 -1.03 0.00 0.00 41.12 40.15 2joe n ASP 77 CO 0.00 0.00 0.00 0.74 -0.11 0.00 0.00 177.20 177.83 2joe h THR 78 N 0.00 0.95 -3.72 2.12 2.02 -1.96 -3.44 112.91 108.88 2joe h THR 78 Ca 0.00 -2.68 -0.08 0.00 0.77 0.00 0.00 66.41 64.42 2joe h THR 78 Cb 0.00 2.59 -0.14 0.00 -1.74 0.00 0.00 68.15 68.86 2joe h THR 78 CO 0.00 0.74 -0.32 -0.72 0.37 0.00 0.00 175.52 175.60 2joe s TYR 79 N -2.60 0.08 -0.22 3.16 1.13 -1.26 -3.23 117.35 114.40 2joe s TYR 79 Ca -0.11 -0.48 0.00 0.00 -1.41 0.00 0.00 57.07 55.08 2joe s TYR 79 Cb 0.07 0.00 0.06 0.00 -1.10 0.00 0.00 41.96 40.99 2joe s TYR 79 CO 0.82 -0.57 -0.04 0.00 -2.51 0.00 0.00 175.55 173.25 2joe s ALA 80 N -3.79 1.79 -0.46 9.51 0.00 0.65 -3.17 121.76 126.30 2joe s ALA 80 Ca 0.04 -1.21 -0.17 0.00 0.00 0.00 0.00 51.96 50.63 2joe s ALA 80 Cb 0.04 -1.36 0.05 0.00 0.00 0.00 0.00 23.12 21.85 2joe s ALA 80 CO -0.11 -1.13 0.43 -1.14 0.00 0.00 0.00 175.76 173.82 2joe s GLN 81 N 1.48 3.03 -0.86 0.00 -0.44 0.10 -0.12 119.66 122.85 2joe s GLN 81 Ca -0.04 -1.07 -0.20 0.00 -2.50 0.00 0.00 55.36 51.55 2joe s GLN 81 Cb -0.18 -4.06 0.11 0.00 -1.64 0.00 0.00 33.01 27.24 2joe s GLN 81 CO -0.07 -0.98 1.09 -2.00 0.50 0.00 0.00 175.29 173.84 2joe s GLU 82 N 1.95 3.46 -0.57 1.67 2.12 0.52 -1.04 118.70 126.81 2joe s GLU 82 Ca 0.08 -1.47 -0.28 0.00 0.36 0.00 0.00 54.97 53.66 2joe s GLU 82 Cb -0.21 -4.75 0.03 0.00 0.26 0.00 0.00 34.13 29.46 2joe s GLU 82 CO 0.10 -1.81 1.20 1.21 -0.54 0.00 0.00 175.26 175.42 2joe s ASN 83 N 3.73 6.45 -0.03 -1.70 3.04 -0.02 -1.06 114.94 125.36 2joe s ASN 83 Ca 0.30 0.17 -0.02 0.00 0.04 0.00 0.00 52.86 53.35 2joe s ASN 83 Cb -0.08 -2.55 -0.04 0.00 -1.54 0.00 0.00 41.25 37.04 2joe s ASN 83 CO -0.04 -1.47 0.09 -0.69 -3.04 0.00 0.00 177.10 171.95 2joe s VAL 84 N 4.97 4.86 -0.28 -5.21 1.01 0.04 -1.11 120.40 124.68 2joe s VAL 84 Ca 0.44 -0.29 -0.02 0.00 0.00 0.00 0.00 61.98 62.11 2joe s VAL 84 Cb -0.08 -3.20 0.09 0.00 0.00 0.00 0.00 36.38 33.20 2joe s VAL 84 CO 0.26 0.41 0.10 -0.89 0.00 0.00 0.00 175.10 174.98 2joe s THR 85 N -1.15 0.47 -0.35 3.92 2.01 -0.07 0.23 115.64 120.69 2joe s THR 85 Ca 0.21 -1.02 -0.17 0.00 0.31 0.00 0.00 61.69 61.03 2joe s THR 85 Cb -0.12 -1.30 -0.00 0.00 0.01 0.00 0.00 72.50 71.08 2joe s THR 85 CO 0.12 -0.61 0.45 -0.63 -0.69 0.00 0.00 174.62 173.25 2joe s ILE 86 N 1.83 5.08 -0.24 1.82 1.01 0.66 -0.39 121.20 130.97 2joe s ILE 86 Ca 0.08 0.17 -0.26 0.00 0.00 0.00 0.00 60.65 60.64 2joe s ILE 86 Cb -0.17 -3.92 -0.00 0.00 0.01 0.00 0.00 42.46 38.39 2joe s ILE 86 CO -0.26 -0.19 0.88 -0.62 0.00 0.00 0.00 174.94 174.75 2joe s ASP 87 N 1.76 6.89 -0.16 3.58 2.15 -0.94 -0.28 116.67 129.66 2joe s ASP 87 Ca 0.15 1.10 0.08 0.00 0.43 0.00 0.00 52.55 54.31 2joe s ASP 87 Cb -0.16 -2.46 0.48 0.00 -0.30 0.00 0.00 42.92 40.48 2joe s ASP 87 CO 0.13 -0.57 1.29 0.23 -0.17 0.00 0.00 175.17 176.08 2joe n MET 88 N 6.11 3.13 -0.04 4.34 2.81 0.12 -3.48 117.12 130.12 2joe n MET 88 Ca 0.07 -1.88 0.06 0.00 -1.81 0.00 0.00 57.70 54.14 2joe n MET 88 Cb 0.47 -1.93 0.07 0.00 -0.71 0.00 0.00 33.22 31.13 2joe n MET 88 CO 0.00 0.00 0.00 0.39 1.51 0.00 0.00 175.97 177.87 2joe n GLU 89 N 0.26 1.11 -0.28 0.03 1.02 -1.26 -4.49 120.64 117.03 2joe n GLU 89 Ca 0.19 -1.40 0.00 0.00 -0.02 0.00 0.00 57.16 55.94 2joe n GLU 89 Cb 0.87 -1.25 0.00 0.00 -0.02 0.00 0.00 31.44 31.05 2joe n GLU 89 CO 0.00 0.00 0.00 1.17 1.18 0.00 0.00 177.13 179.48 2joe n LYS 90 N 0.67 0.00 -2.00 3.49 4.81 -1.24 -5.09 118.16 118.81 2joe n LYS 90 Ca 0.08 -0.49 -0.41 0.00 -0.87 0.00 0.00 58.31 56.62 2joe n LYS 90 Cb 0.33 -0.31 -0.02 0.00 0.02 0.00 0.00 35.03 35.04 2joe n LYS 90 CO 0.00 0.00 0.00 0.14 1.17 0.00 0.00 177.40 178.71 2joe s VAL 91 N 0.00 2.64 -0.41 3.15 -7.23 -1.23 -4.49 120.40 112.83 2joe s VAL 91 Ca 0.00 0.53 -0.13 0.00 -1.81 0.00 0.00 61.98 60.57 2joe s VAL 91 Cb 0.00 -3.34 0.03 0.00 0.56 0.00 0.00 36.38 33.64 2joe s VAL 91 CO 0.00 0.08 0.28 -0.62 -0.31 0.00 0.00 175.10 174.54 2joe s ASP 92 N 0.43 5.97 0.00 4.85 2.15 -1.26 -4.95 116.67 123.87 2joe s ASP 92 Ca 0.60 -1.04 0.29 0.00 0.43 0.00 0.00 52.55 52.83 2joe s ASP 92 Cb -0.42 -2.11 1.25 0.00 -0.30 0.00 0.00 42.92 41.34 2joe s ASP 92 CO 0.42 -0.47 1.92 0.49 -0.17 0.00 0.00 175.17 177.37 2joe n PHE 93 N 5.10 0.00 0.29 -5.34 3.72 -1.26 -2.40 117.46 117.58 2joe n PHE 93 Ca -0.11 0.00 -0.14 0.00 -0.05 0.00 0.00 57.45 57.14 2joe n PHE 93 Cb 0.46 -0.43 -0.07 0.00 -0.94 0.00 0.00 39.48 38.50 2joe n PHE 93 CO 0.00 0.00 0.00 0.87 -0.05 0.00 0.00 176.76 177.58 2joe h LYS 94 N 0.02 -0.73 -0.14 -1.08 1.57 -1.95 -3.13 116.57 111.13 2joe h LYS 94 Ca 0.00 0.05 -0.17 0.00 -1.87 0.00 0.00 60.65 58.66 2joe h LYS 94 Cb 0.45 0.17 -0.01 0.00 0.08 0.00 0.00 32.23 32.92 2joe h LYS 94 CO 0.00 -0.43 -0.61 0.00 -0.57 0.00 0.00 179.45 177.84 2joe h ALA 95 N -0.86 0.68 -0.58 3.86 0.00 -2.01 -3.21 119.26 117.14 2joe h ALA 95 Ca -0.08 -0.54 0.14 0.00 0.00 0.00 0.00 54.91 54.43 2joe h ALA 95 Cb 0.65 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 18.33 2joe h ALA 95 CO 0.13 0.71 0.40 1.25 0.00 0.00 0.00 179.25 181.74 2joe h LEU 96 N 0.35 0.12 -2.25 0.00 6.46 -1.54 0.15 115.31 118.60 2joe h LEU 96 Ca -0.01 0.01 -0.00 0.00 -0.12 0.00 0.00 57.88 57.76 2joe h LEU 96 Cb 1.16 -0.02 -0.00 0.00 -0.73 0.00 0.00 40.66 41.07 2joe h LEU 96 CO 0.11 0.07 -0.02 1.56 -0.62 0.00 0.00 178.44 179.54 2joe h GLN 97 N 0.13 0.00 -0.25 1.25 1.08 -1.54 -0.89 115.11 114.89 2joe h GLN 97 Ca 0.28 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.48 2joe h GLN 97 Cb 0.91 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.34 2joe h GLN 97 CO -0.04 0.02 0.00 0.41 -0.95 0.00 0.00 178.83 178.27 2joe n GLY 98 N -0.59 1.49 0.00 3.46 0.00 0.49 -4.13 105.19 105.91 2joe n GLY 98 Ca -0.01 -0.44 0.00 0.00 0.00 0.00 0.00 46.02 45.57 2joe n GLY 98 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 2joe n ILE 99 N 0.78 0.00 0.04 -0.61 2.08 -0.44 -4.84 119.36 116.37 2joe n ILE 99 Ca 0.12 0.00 -0.01 0.00 0.56 0.00 0.00 62.75 63.42 2joe n ILE 99 Cb 0.42 -0.80 -0.08 0.00 -0.75 0.00 0.00 39.64 38.43 2joe n ILE 99 CO 0.00 0.00 0.00 0.28 0.56 0.00 0.00 176.55 177.39 2joe h SER 100 N 0.00 0.00 0.00 4.38 0.02 -1.76 -3.48 113.55 112.71 2joe h SER 100 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 2joe h SER 100 Cb 0.00 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.54 2joe h SER 100 CO 0.00 0.62 0.00 0.61 -1.14 0.00 0.00 176.83 176.92 2joe n GLY 101 N 1.39 1.91 3.75 -3.77 0.00 -0.60 -4.66 105.19 103.20 2joe n GLY 101 Ca -0.09 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.66 2joe n GLY 101 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 2joe n ILE 102 N 0.00 -2.38 0.72 -0.61 5.41 -1.26 -4.70 119.36 116.53 2joe n ILE 102 Ca 0.00 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.75 2joe n ILE 102 Cb 0.00 -3.31 0.00 0.00 -0.71 0.00 0.00 39.64 35.62 2joe n ILE 102 CO 0.00 0.00 0.00 -0.46 0.00 0.00 0.00 176.55 176.09 2joe n ASN 103 N -2.89 3.38 -0.00 4.38 2.04 -1.26 -3.58 115.26 117.33 2joe n ASN 103 Ca 0.03 -2.05 -0.18 0.00 -0.44 0.00 0.00 54.58 51.94 2joe n ASN 103 Cb 0.54 -0.61 -0.09 0.00 -2.53 0.00 0.00 39.78 37.09 2joe n ASN 103 CO 0.00 0.00 0.00 0.58 -0.44 0.00 0.00 177.26 177.40 2joe h VAL 104 N 0.20 1.34 -3.26 3.53 2.07 -1.96 -3.43 116.25 114.75 2joe h VAL 104 Ca 0.00 -2.01 -0.34 0.00 0.82 0.00 0.00 66.70 65.16 2joe h VAL 104 Cb 0.99 2.30 -0.38 0.00 -1.52 0.00 0.00 31.29 32.68 2joe h VAL 104 CO 0.00 0.61 -0.71 -0.55 0.02 0.00 0.00 177.57 176.95 2joe s SER 105 N -6.92 0.94 0.49 0.57 0.15 -1.23 -5.02 113.70 102.68 2joe s SER 105 Ca -0.12 0.16 0.22 0.00 0.70 0.00 0.00 55.95 56.91 2joe s SER 105 Cb 0.06 -0.01 1.26 0.00 -1.71 0.00 0.00 66.02 65.62 2joe s SER 105 CO 0.86 -0.24 2.03 0.00 1.20 0.00 0.00 173.24 177.10 2joe h ALA 106 N 8.33 1.43 -0.17 5.45 0.00 -1.84 -2.40 119.26 130.06 2joe h ALA 106 Ca -0.15 -0.14 -0.12 0.00 0.00 0.00 0.00 54.91 54.50 2joe h ALA 106 Cb 1.12 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.87 2joe h ALA 106 CO 0.17 0.19 -0.40 0.93 0.00 0.00 0.00 179.25 180.15 2joe h GLU 107 N 0.00 0.39 0.07 0.00 4.39 -1.95 -2.34 114.58 115.13 2joe h GLU 107 Ca -0.00 -0.19 -0.00 0.00 0.34 0.00 0.00 59.36 59.51 2joe h GLU 107 Cb 0.35 -0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.99 2joe h GLU 107 CO 0.02 0.72 -0.03 0.22 -1.16 0.00 0.00 179.01 178.78 2joe h ASP 108 N 0.32 -0.07 0.26 1.42 3.58 -1.78 -3.07 116.42 117.08 2joe h ASP 108 Ca 0.03 -0.34 -0.09 0.00 0.42 0.00 0.00 57.03 57.05 2joe h ASP 108 Cb 0.84 0.02 -0.01 0.00 1.72 0.00 0.00 39.33 41.90 2joe h ASP 108 CO 0.07 0.57 -0.37 0.00 -2.88 0.00 0.00 179.24 176.63 2joe h ALA 109 N -0.60 1.24 0.11 -0.78 0.00 -1.57 -2.40 119.26 115.26 2joe h ALA 109 Ca -0.01 -0.37 -0.33 0.00 0.00 0.00 0.00 54.91 54.20 2joe h ALA 109 Cb 0.41 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.10 2joe h ALA 109 CO 0.01 0.53 -1.77 0.87 0.00 0.00 0.00 179.25 178.90 2joe h LYS 110 N 0.14 0.23 0.00 0.00 1.57 -1.58 -3.37 116.57 113.55 2joe h LYS 110 Ca 0.01 -0.38 0.00 0.00 -1.87 0.00 0.00 60.65 58.41 2joe h LYS 110 Cb 0.72 0.14 0.00 0.00 0.08 0.00 0.00 32.23 33.17 2joe h LYS 110 CO 0.05 1.06 -0.62 1.63 -0.57 0.00 0.00 179.45 181.00 2joe n LYS 111 N -3.40 0.01 0.00 3.15 5.02 -1.16 -4.96 118.16 116.82 2joe n LYS 111 Ca -0.23 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.06 2joe n LYS 111 Cb 1.05 -1.50 0.00 0.00 -0.02 0.00 0.00 35.03 34.56 2joe n LYS 111 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2joe n GLY 112 N 1.49 2.64 3.67 0.72 0.00 -0.91 -5.02 105.19 107.78 2joe n GLY 112 Ca 0.05 -1.15 -0.42 0.00 0.00 0.00 0.00 46.02 44.50 2joe n GLY 112 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2joe s ILE 113 N 0.00 3.10 0.20 -0.61 -1.09 -1.19 -4.86 121.20 116.75 2joe s ILE 113 Ca 0.00 0.26 0.10 0.00 -2.23 0.00 0.00 60.65 58.77 2joe s ILE 113 Cb 0.00 -3.17 -0.04 0.00 -1.58 0.00 0.00 42.46 37.67 2joe s ILE 113 CO 0.00 -0.02 -0.12 -0.89 -1.23 0.00 0.00 174.94 172.68 2joe s THR 114 N 3.89 3.00 0.21 2.92 2.01 -1.26 -4.05 115.64 122.35 2joe s THR 114 Ca 0.82 -1.82 -0.09 0.00 0.31 0.00 0.00 61.69 60.90 2joe s THR 114 Cb -0.40 -2.50 0.17 0.00 0.01 0.00 0.00 72.50 69.78 2joe s THR 114 CO 0.37 -0.17 1.87 -0.03 -0.69 0.00 0.00 174.62 175.98 2joe h MET 115 N 2.80 1.06 -0.67 4.92 4.05 -1.25 0.24 114.93 126.07 2joe h MET 115 Ca -0.46 -0.08 -0.00 0.00 -0.28 0.00 0.00 59.70 58.88 2joe h MET 115 Cb 1.21 -0.23 -0.03 0.00 -0.80 0.00 0.00 31.60 31.75 2joe h MET 115 CO 0.54 0.72 0.41 0.00 0.23 0.00 0.00 176.91 178.82 2joe h ALA 116 N 1.27 1.46 0.16 0.39 0.00 -1.97 -0.94 119.26 119.64 2joe h ALA 116 Ca 0.29 -0.07 -0.01 0.00 0.00 0.00 0.00 54.91 55.12 2joe h ALA 116 Cb -0.09 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 17.43 2joe h ALA 116 CO -0.06 0.47 -0.08 1.96 0.00 0.00 0.00 179.25 181.55 2joe h GLN 117 N 0.92 -0.21 -0.92 0.00 4.20 -1.61 -2.76 115.11 114.74 2joe h GLN 117 Ca 0.24 0.01 0.26 0.00 0.06 0.00 0.00 58.65 59.23 2joe h GLN 117 Cb -0.05 0.05 -0.16 0.00 0.30 0.00 0.00 27.48 27.62 2joe h GLN 117 CO -0.05 -0.14 0.18 1.98 -0.67 0.00 0.00 178.83 180.14 2joe h MET 118 N -0.33 0.11 0.40 1.46 4.05 -0.54 0.44 114.93 120.52 2joe h MET 118 Ca -0.02 -0.01 -0.02 0.00 -0.28 0.00 0.00 59.70 59.37 2joe h MET 118 Cb 0.16 -0.02 0.00 0.00 -0.80 0.00 0.00 31.60 30.94 2joe h MET 118 CO 0.04 0.07 -0.21 0.93 0.23 0.00 0.00 176.91 177.96 2joe h GLU 119 N 0.11 -0.55 -0.02 0.39 4.39 -1.27 0.15 114.58 117.79 2joe h GLU 119 Ca 0.59 0.04 -0.03 0.00 0.34 0.00 0.00 59.36 60.30 2joe h GLU 119 Cb 1.25 0.12 -0.00 0.00 -0.10 0.00 0.00 28.75 30.02 2joe h GLU 119 CO -0.76 -0.36 -0.13 -0.07 -1.16 0.00 0.00 179.01 176.52 2joe h LEU 120 N -0.57 0.02 0.17 1.33 3.38 -1.03 -1.18 115.31 117.44 2joe h LEU 120 Ca -0.06 -0.00 -0.31 0.00 0.09 0.00 0.00 57.88 57.60 2joe h LEU 120 Cb 0.44 -0.01 0.03 0.00 0.09 0.00 0.00 40.66 41.21 2joe h LEU 120 CO 0.08 0.16 -1.34 0.58 0.09 0.00 0.00 178.44 178.00 2joe h VAL 121 N 0.03 1.34 0.00 1.22 2.07 -0.13 0.06 116.25 120.85 2joe h VAL 121 Ca 0.00 -2.73 -0.15 0.00 0.82 0.00 0.00 66.70 64.65 2joe h VAL 121 Cb 0.25 2.91 -0.02 0.00 -1.52 0.00 0.00 31.29 32.91 2joe h VAL 121 CO 0.02 0.81 -0.71 0.24 0.02 0.00 0.00 177.57 177.95 2joe h MET 122 N 0.16 0.00 -0.26 1.57 2.86 -0.42 0.45 114.93 119.29 2joe h MET 122 Ca -0.20 0.00 -0.13 0.00 -2.06 0.00 0.00 59.70 57.31 2joe h MET 122 Cb 2.04 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 33.68 2joe h MET 122 CO 0.24 0.71 -0.38 0.87 1.06 0.00 0.00 176.91 179.42 2joe h LYS 123 N 0.00 0.60 0.00 1.72 6.56 -1.21 -2.67 116.57 121.57 2joe h LYS 123 Ca -0.01 -0.29 -0.09 0.00 -1.06 0.00 0.00 60.65 59.20 2joe h LYS 123 Cb 1.28 -0.00 -0.01 0.00 -0.57 0.00 0.00 32.23 32.93 2joe h LYS 123 CO 0.09 0.88 -0.43 0.00 -2.06 0.00 0.00 179.45 177.94 2joe h ALA 124 N 1.09 1.28 0.00 3.86 0.00 -0.65 -2.35 119.26 122.49 2joe h ALA 124 Ca 0.05 -0.39 0.00 0.00 0.00 0.00 0.00 54.91 54.57 2joe h ALA 124 Cb 0.88 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.60 2joe h ALA 124 CO 0.08 0.54 0.00 0.00 0.00 0.00 0.00 179.25 179.86 2joe n ALA 125 N -2.45 1.81 -1.83 0.00 0.00 0.12 -4.89 120.51 113.27 2joe n ALA 125 Ca -0.02 0.02 -0.05 0.00 0.00 0.00 0.00 53.44 53.40 2joe n ALA 125 Cb 0.46 -1.37 -0.01 0.00 0.00 0.00 0.00 19.45 18.52 2joe n ALA 125 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2joe n GLY 126 N 0.32 0.33 3.90 0.00 0.00 -0.89 -5.03 105.19 103.83 2joe n GLY 126 Ca 0.03 -0.73 -0.29 0.00 0.00 0.00 0.00 46.02 45.03 2joe n GLY 126 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2joe s PHE 127 N -2.22 3.47 -0.25 1.61 0.08 -1.10 -5.07 117.98 114.50 2joe s PHE 127 Ca 0.00 0.65 -0.09 0.00 0.12 0.00 0.00 56.93 57.61 2joe s PHE 127 Cb 0.00 -2.10 -0.04 0.00 -0.57 0.00 0.00 43.02 40.31 2joe s PHE 127 CO 0.00 0.23 0.11 -1.59 -0.10 0.00 0.00 175.22 173.88 2joe s LYS 128 N -3.31 3.83 0.15 0.44 -2.85 -1.26 -4.76 119.74 111.98 2joe s LYS 128 Ca 0.44 -0.39 -0.28 0.00 -1.00 0.00 0.00 55.97 54.74 2joe s LYS 128 Cb -0.11 -3.43 -0.07 0.00 -2.06 0.00 0.00 37.83 32.16 2joe s LYS 128 CO 0.28 -0.09 0.86 -1.83 0.10 0.00 0.00 175.35 174.67 2joe s GLU 129 N 1.40 4.66 0.00 1.78 -1.05 -1.26 -1.03 118.70 123.20 2joe s GLU 129 Ca 0.06 1.30 0.17 0.00 -0.15 0.00 0.00 54.97 56.34 2joe s GLU 129 Cb -0.15 -3.32 0.16 0.00 -0.44 0.00 0.00 34.13 30.39 2joe s GLU 129 CO 0.05 0.41 1.06 1.33 0.95 0.00 0.00 175.26 179.06 2joe n VAL 130 N 2.12 0.09 0.00 1.83 0.24 -0.31 -4.87 118.33 117.42 2joe n VAL 130 Ca -0.02 -0.54 0.00 0.00 -2.04 0.00 0.00 64.34 61.74 2joe n VAL 130 Cb 0.49 1.28 0.00 0.00 -1.47 0.00 0.00 33.84 34.13 2joe n VAL 130 CO 0.00 0.00 0.00 0.29 -2.14 0.00 0.00 176.83 174.98 2joe n LYS 131 N 0.95 0.00 -0.21 7.34 5.02 -0.16 -0.26 118.16 130.83 2joe n LYS 131 Ca 0.10 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.39 2joe n LYS 131 Cb 0.43 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.44 2joe n LYS 131 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 2joe n LEU 132 N 0.00 0.00 -4.50 -0.35 4.77 -1.26 -1.65 117.00 114.00 2joe n LEU 132 Ca 0.00 -0.65 -0.33 0.00 -0.03 0.00 0.00 56.01 55.00 2joe n LEU 132 Cb 0.00 0.00 -0.12 0.00 -2.33 0.00 0.00 43.42 40.97 2joe n LEU 132 CO 0.00 0.59 -0.41 -0.70 -1.33 0.00 0.00 177.39 175.54 2joe s GLU 133 N 0.00 2.95 0.00 3.23 2.56 0.64 -4.97 118.70 123.10 2joe s GLU 133 Ca 0.00 -0.61 0.00 0.00 0.00 0.00 0.00 54.97 54.36 2joe s GLU 133 Cb 0.00 -2.59 0.00 0.00 2.00 0.00 0.00 34.13 33.54 2joe s GLU 133 CO 0.00 0.51 0.00 1.58 -0.56 0.00 0.00 175.26 176.79 2joe n HIS 134 N 2.68 0.00 -0.89 5.30 -0.00 -1.26 -4.62 115.22 116.44 2joe n HIS 134 Ca -0.18 0.00 -0.11 0.00 -0.00 0.00 0.00 57.72 57.43 2joe n HIS 134 Cb 0.53 0.00 0.24 0.00 -0.00 0.00 0.00 29.99 30.75 2joe n HIS 134 CO 0.00 0.00 0.00 1.58 -0.00 0.00 0.00 176.34 177.92 2joe n HIS 135 N -1.24 2.43 0.25 1.57 -0.00 -1.26 -4.42 115.22 112.55 2joe n HIS 135 Ca 0.00 -1.31 0.11 0.00 -0.00 0.00 0.00 57.72 56.53 2joe n HIS 135 Cb 0.00 -0.72 0.65 0.00 -0.00 0.00 0.00 29.99 29.92 2joe n HIS 135 CO 0.00 0.00 0.00 1.25 -0.00 0.00 0.00 176.34 177.59 2joe h HIS 136 N 1.92 0.00 -1.47 1.57 2.76 -1.99 -3.38 115.15 114.57 2joe h HIS 136 Ca 0.36 0.00 -0.57 0.00 -2.20 0.00 0.00 60.37 57.96 2joe h HIS 136 Cb 2.36 0.00 -0.09 0.00 1.55 0.00 0.00 27.41 31.23 2joe h HIS 136 CO 1.27 0.16 1.34 -1.58 -1.30 0.00 0.00 177.93 177.81 2joe s HIS 137 N -4.11 2.42 0.03 5.26 5.65 -1.26 -4.84 115.29 118.44 2joe s HIS 137 Ca -0.02 -0.54 -0.28 0.00 0.25 0.00 0.00 55.06 54.47 2joe s HIS 137 Cb 0.13 -4.65 -0.17 0.00 -1.18 0.00 0.00 32.58 26.71 2joe s HIS 137 CO 0.60 -1.98 1.33 1.25 -0.65 0.00 0.00 174.74 175.30 2joe h HIS 138 N 10.00 -0.72 0.00 3.88 2.76 -1.99 -3.53 115.15 125.55 2joe h HIS 138 Ca 0.05 -0.02 0.00 0.00 -2.20 0.00 0.00 60.37 58.21 2joe h HIS 138 Cb 1.02 0.24 0.00 0.00 1.55 0.00 0.00 27.41 30.22 2joe h HIS 138 CO 1.23 -0.39 0.00 1.58 -1.30 0.00 0.00 177.93 179.05