#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 0.45 3.32 -5.12 0.00 -1.26 -5.03 105.19 97.54 2joe n GLY 2 Ca 0.00 -0.85 -0.18 0.00 0.00 0.00 0.00 46.02 44.99 2joe n GLY 2 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 2joe s ASP 3 N -2.78 1.38 0.44 1.61 1.47 -1.26 -5.17 116.67 112.37 2joe s ASP 3 Ca 0.00 -1.55 0.08 0.00 1.18 0.00 0.00 52.55 52.26 2joe s ASP 3 Cb 0.00 0.39 0.01 0.00 -0.34 0.00 0.00 42.92 42.98 2joe s ASP 3 CO 0.00 -0.89 0.51 -0.54 0.68 0.00 0.00 175.17 174.93 2joe s LYS 4 N -3.83 2.62 -0.35 2.11 -0.14 -1.26 -5.06 119.74 113.83 2joe s LYS 4 Ca 0.36 -1.45 -0.29 0.00 -1.36 0.00 0.00 55.97 53.24 2joe s LYS 4 Cb 0.05 -2.56 0.01 0.00 -1.68 0.00 0.00 37.83 33.65 2joe s LYS 4 CO 0.18 -0.33 1.24 -1.21 -0.76 0.00 0.00 175.35 174.47 2joe s GLU 5 N -4.30 3.87 0.33 1.68 8.01 -1.26 -4.72 118.70 122.31 2joe s GLU 5 Ca 0.52 1.06 0.04 0.00 0.01 0.00 0.00 54.97 56.60 2joe s GLU 5 Cb -0.06 -3.87 -0.02 0.00 -4.31 0.00 0.00 34.13 25.86 2joe s GLU 5 CO 0.31 -1.17 0.49 -1.21 0.01 0.00 0.00 175.26 173.68 2joe s GLU 6 N 4.21 3.27 -0.08 1.61 0.41 0.95 -4.89 118.70 124.17 2joe s GLU 6 Ca 0.53 -0.72 0.01 0.00 -0.41 0.00 0.00 54.97 54.38 2joe s GLU 6 Cb -0.14 -2.77 0.02 0.00 -1.78 0.00 0.00 34.13 29.46 2joe s GLU 6 CO 0.24 0.13 -0.09 0.45 -0.49 0.00 0.00 175.26 175.50 2joe s SER 7 N -4.10 1.79 -0.12 -0.19 0.15 -1.26 -0.46 113.70 109.51 2joe s SER 7 Ca 0.41 -0.27 -0.00 0.00 0.70 0.00 0.00 55.95 56.79 2joe s SER 7 Cb -0.09 -0.77 -0.02 0.00 -1.71 0.00 0.00 66.02 63.42 2joe s SER 7 CO 0.33 -0.03 -0.12 -0.54 1.20 0.00 0.00 173.24 174.08 2joe s LYS 8 N 1.06 3.27 -0.12 5.44 -0.14 -0.09 -4.93 119.74 124.24 2joe s LYS 8 Ca -0.07 -0.66 0.01 0.00 -1.36 0.00 0.00 55.97 53.89 2joe s LYS 8 Cb -0.14 -2.64 0.02 0.00 -1.68 0.00 0.00 37.83 33.39 2joe s LYS 8 CO -0.01 0.30 -0.13 0.21 -0.76 0.00 0.00 175.35 174.96 2joe s LYS 9 N 0.14 2.04 0.24 1.68 2.20 -1.26 -0.43 119.74 124.35 2joe s LYS 9 Ca -0.06 -0.47 0.07 0.00 -0.36 0.00 0.00 55.97 55.15 2joe s LYS 9 Cb -0.15 -1.85 -0.05 0.00 -1.51 0.00 0.00 37.83 34.27 2joe s LYS 9 CO 0.04 -0.16 -0.11 -0.59 -0.36 0.00 0.00 175.35 174.17 2joe s PHE 10 N 1.30 1.83 -0.23 4.03 -0.12 -1.04 0.23 117.98 123.98 2joe s PHE 10 Ca -0.01 -0.62 -0.05 0.00 -0.05 0.00 0.00 56.93 56.20 2joe s PHE 10 Cb -0.14 -0.93 0.11 0.00 -0.63 0.00 0.00 43.02 41.43 2joe s PHE 10 CO -0.06 0.33 0.43 0.45 -0.05 0.00 0.00 175.22 176.33 2joe s SER 11 N -3.38 -0.23 -0.36 1.98 0.15 -0.71 -1.54 113.70 109.61 2joe s SER 11 Ca 0.26 0.77 -0.08 0.00 0.70 0.00 0.00 55.95 57.60 2joe s SER 11 Cb 0.01 1.39 0.04 0.00 -1.71 0.00 0.00 66.02 65.75 2joe s SER 11 CO 0.09 -0.26 0.15 0.00 1.20 0.00 0.00 173.24 174.42 2joe s ALA 12 N 2.63 3.13 -0.99 5.45 0.00 -0.02 -4.46 121.76 127.49 2joe s ALA 12 Ca 0.04 -1.78 -0.18 0.00 0.00 0.00 0.00 51.96 50.05 2joe s ALA 12 Cb -0.13 -2.39 0.14 0.00 0.00 0.00 0.00 23.12 20.74 2joe s ALA 12 CO -0.15 -1.38 1.19 -0.80 0.00 0.00 0.00 175.76 174.62 2joe s ASN 13 N 1.50 6.73 -0.11 0.00 0.02 -1.26 -1.08 114.94 120.75 2joe s ASN 13 Ca -0.00 -2.26 0.01 0.00 -1.02 0.00 0.00 52.86 49.58 2joe s ASN 13 Cb -0.20 -2.40 -0.02 0.00 0.02 0.00 0.00 41.25 38.66 2joe s ASN 13 CO 0.04 -0.99 -0.14 -1.48 0.02 0.00 0.00 177.10 174.55 2joe s LEU 14 N 2.42 2.69 0.00 0.60 0.05 -0.90 -4.67 118.68 118.86 2joe s LEU 14 Ca 0.35 -0.31 0.00 0.00 0.05 0.00 0.00 54.13 54.22 2joe s LEU 14 Cb -0.04 -1.59 0.00 0.00 -2.05 0.00 0.00 46.19 42.51 2joe s LEU 14 CO -0.07 0.21 0.00 -3.20 -0.55 0.00 0.00 176.35 172.73 2joe n ASN 15 N 3.24 0.00 0.00 1.48 2.85 -1.26 -1.93 115.26 119.63 2joe n ASN 15 Ca -0.18 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.29 2joe n ASN 15 Cb 0.53 0.00 0.00 0.00 1.24 0.00 0.00 39.78 41.55 2joe n ASN 15 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 2joe n GLY 16 N 0.00 0.36 3.78 8.20 0.00 -1.26 -4.95 105.19 111.32 2joe n GLY 16 Ca 0.00 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.66 2joe n GLY 16 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2joe s THR 17 N 0.00 5.34 -0.46 2.61 2.01 -0.81 -4.04 115.64 120.29 2joe s THR 17 Ca 0.00 0.42 -0.23 0.00 0.31 0.00 0.00 61.69 62.19 2joe s THR 17 Cb 0.00 -3.55 0.03 0.00 0.01 0.00 0.00 72.50 68.99 2joe s THR 17 CO 0.00 0.48 0.79 -1.61 -0.69 0.00 0.00 174.62 173.59 2joe s GLU 18 N -0.14 3.39 -0.73 4.92 2.02 -0.06 -2.13 118.70 125.97 2joe s GLU 18 Ca 0.15 -0.15 -0.20 0.00 0.02 0.00 0.00 54.97 54.79 2joe s GLU 18 Cb -0.13 -3.95 0.10 0.00 0.10 0.00 0.00 34.13 30.26 2joe s GLU 18 CO 0.04 -1.14 0.93 0.42 0.02 0.00 0.00 175.26 175.52 2joe s ILE 19 N 3.30 4.64 -0.47 -1.63 1.01 -0.24 -0.08 121.20 127.73 2joe s ILE 19 Ca 0.29 -0.99 -0.11 0.00 0.00 0.00 0.00 60.65 59.84 2joe s ILE 19 Cb -0.12 -4.65 0.10 0.00 0.01 0.00 0.00 42.46 37.80 2joe s ILE 19 CO 0.22 -1.36 0.36 0.00 0.00 0.00 0.00 174.94 174.16 2joe s ALA 20 N 3.10 3.44 -0.50 9.38 0.00 0.00 -0.84 121.76 136.34 2joe s ALA 20 Ca 0.22 -2.36 -0.14 0.00 0.00 0.00 0.00 51.96 49.67 2joe s ALA 20 Cb -0.15 -2.89 0.11 0.00 0.00 0.00 0.00 23.12 20.18 2joe s ALA 20 CO 0.02 -1.83 0.43 0.42 0.00 0.00 0.00 175.76 174.81 2joe s ILE 21 N 1.47 4.99 -0.76 0.00 1.01 -0.59 -0.21 121.20 127.11 2joe s ILE 21 Ca 0.04 -1.43 -0.17 0.00 0.00 0.00 0.00 60.65 59.09 2joe s ILE 21 Cb -0.26 -4.15 0.14 0.00 0.01 0.00 0.00 42.46 38.21 2joe s ILE 21 CO 0.02 -0.76 0.85 -0.89 0.00 0.00 0.00 174.94 174.16 2joe s THR 22 N 1.56 5.01 -0.18 2.92 2.01 0.13 -2.50 115.64 124.60 2joe s THR 22 Ca 0.04 -1.58 -0.09 0.00 0.31 0.00 0.00 61.69 60.37 2joe s THR 22 Cb -0.28 -4.57 -0.05 0.00 0.01 0.00 0.00 72.50 67.62 2joe s THR 22 CO 0.03 -1.21 0.12 -0.72 -0.69 0.00 0.00 174.62 172.15 2joe s TYR 23 N 1.98 3.41 -0.23 4.92 1.13 0.43 -2.10 117.35 126.89 2joe s TYR 23 Ca 0.19 0.31 -0.16 0.00 -1.41 0.00 0.00 57.07 56.01 2joe s TYR 23 Cb -0.15 -2.11 -0.04 0.00 -1.10 0.00 0.00 41.96 38.57 2joe s TYR 23 CO -0.03 0.34 0.41 0.08 -2.51 0.00 0.00 175.55 173.84 2joe s VAL 24 N 0.13 5.18 0.20 -3.49 1.01 0.13 -0.92 120.40 122.64 2joe s VAL 24 Ca 0.08 0.70 0.08 0.00 0.00 0.00 0.00 61.98 62.84 2joe s VAL 24 Cb -0.11 -3.73 -0.05 0.00 0.00 0.00 0.00 36.38 32.49 2joe s VAL 24 CO -0.01 0.21 -0.15 -0.72 0.00 0.00 0.00 175.10 174.43 2joe s TYR 25 N 1.62 1.74 -0.12 5.22 1.13 0.39 -0.88 117.35 126.46 2joe s TYR 25 Ca 0.18 -0.54 -0.04 0.00 -1.41 0.00 0.00 57.07 55.26 2joe s TYR 25 Cb -0.15 -0.82 0.05 0.00 -1.10 0.00 0.00 41.96 39.94 2joe s TYR 25 CO 0.09 0.36 0.12 0.21 -2.51 0.00 0.00 175.55 173.82 2joe s LYS 26 N -3.44 0.04 6.28 -3.49 2.20 0.35 -0.04 119.74 121.64 2joe s LYS 26 Ca 0.21 0.26 0.00 0.00 -0.36 0.00 0.00 55.97 56.08 2joe s LYS 26 Cb -0.02 -0.97 0.00 0.00 -1.51 0.00 0.00 37.83 35.33 2joe s LYS 26 CO 0.07 -0.48 0.00 0.41 -0.36 0.00 0.00 175.35 174.99 2joe n GLY 27 N 5.30 2.10 2.86 5.54 0.00 -1.26 -3.31 105.19 116.43 2joe n GLY 27 Ca -0.05 -0.46 -0.40 0.00 0.00 0.00 0.00 46.02 45.11 2joe n GLY 27 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2joe n ASP 28 N 4.20 6.08 -3.52 1.61 -0.08 -1.26 -4.85 116.55 118.73 2joe n ASP 28 Ca 0.00 -3.47 -0.00 0.00 -1.51 0.00 0.00 54.79 49.81 2joe n ASP 28 Cb 0.00 -1.14 -0.05 0.00 2.34 0.00 0.00 41.12 42.27 2joe n ASP 28 CO 0.00 0.00 0.00 -0.75 0.12 0.00 0.00 177.20 176.57 2joe s LYS 29 N -2.98 0.39 -0.25 -0.67 2.36 -1.21 -3.87 119.74 113.52 2joe s LYS 29 Ca 0.34 0.90 -0.20 0.00 -2.55 0.00 0.00 55.97 54.46 2joe s LYS 29 Cb 0.09 0.43 -0.02 0.00 -1.05 0.00 0.00 37.83 37.28 2joe s LYS 29 CO 0.05 -0.12 0.61 0.08 1.55 0.00 0.00 175.35 177.53 2joe s VAL 30 N 2.26 5.00 -0.06 4.02 1.01 -1.26 -0.49 120.40 130.88 2joe s VAL 30 Ca -0.05 1.10 0.19 0.00 0.00 0.00 0.00 61.98 63.22 2joe s VAL 30 Cb -0.07 -3.92 -0.29 0.00 0.00 0.00 0.00 36.38 32.11 2joe s VAL 30 CO -0.17 0.05 0.35 0.18 0.00 0.00 0.00 175.10 175.51 2joe n LEU 31 N 5.58 0.00 -3.67 3.92 4.32 -0.06 -4.71 117.00 122.39 2joe n LEU 31 Ca -0.01 0.00 -0.19 0.00 -0.02 0.00 0.00 56.01 55.78 2joe n LEU 31 Cb 0.49 0.09 -0.18 0.00 -1.62 0.00 0.00 43.42 42.20 2joe n LEU 31 CO 0.43 0.09 -0.32 -0.54 -1.22 0.00 0.00 177.39 175.82 2joe s LYS 32 N -3.17 -0.06 -0.46 3.23 1.02 -0.87 0.14 119.74 119.57 2joe s LYS 32 Ca -0.07 0.41 -0.08 0.00 0.02 0.00 0.00 55.97 56.25 2joe s LYS 32 Cb 0.11 -0.46 0.12 0.00 -0.52 0.00 0.00 37.83 37.08 2joe s LYS 32 CO 0.79 -0.32 0.33 -1.14 -0.92 0.00 0.00 175.35 174.09 2joe s GLN 33 N 2.18 2.41 -0.76 1.68 0.74 0.76 0.22 119.66 126.90 2joe s GLN 33 Ca 0.04 -1.77 -0.21 0.00 0.05 0.00 0.00 55.36 53.47 2joe s GLN 33 Cb -0.12 -3.88 0.09 0.00 1.10 0.00 0.00 33.01 30.20 2joe s GLN 33 CO -0.04 -1.18 1.01 -1.12 -0.55 0.00 0.00 175.29 173.42 2joe s SER 34 N 2.56 6.34 -0.54 6.67 0.01 -0.89 -0.28 113.70 127.57 2joe s SER 34 Ca 0.06 -1.40 -0.17 0.00 1.31 0.00 0.00 55.95 55.75 2joe s SER 34 Cb -0.26 -2.41 0.10 0.00 0.21 0.00 0.00 66.02 63.66 2joe s SER 34 CO -0.01 -1.29 0.58 -0.44 0.41 0.00 0.00 173.24 172.49 2joe s SER 35 N 3.69 6.19 -0.31 2.44 0.01 0.14 0.22 113.70 126.09 2joe s SER 35 Ca 0.26 -1.44 -0.05 0.00 1.31 0.00 0.00 55.95 56.02 2joe s SER 35 Cb -0.13 -2.25 0.03 0.00 0.21 0.00 0.00 66.02 63.88 2joe s SER 35 CO 0.03 -0.92 0.05 -1.61 0.41 0.00 0.00 173.24 171.20 2joe s GLU 36 N 2.17 2.74 -0.49 12.44 2.02 0.70 -0.93 118.70 137.36 2joe s GLU 36 Ca 0.08 -1.08 -0.18 0.00 0.02 0.00 0.00 54.97 53.81 2joe s GLU 36 Cb -0.25 -3.32 0.06 0.00 0.10 0.00 0.00 34.13 30.72 2joe s GLU 36 CO 0.06 -0.56 0.56 0.95 0.02 0.00 0.00 175.26 176.30 2joe s THR 37 N 1.39 4.96 -0.86 3.63 -4.23 0.09 -0.82 115.64 119.80 2joe s THR 37 Ca -0.01 -0.56 -0.21 0.00 -1.18 0.00 0.00 61.69 59.73 2joe s THR 37 Cb -0.18 -4.24 0.10 0.00 1.34 0.00 0.00 72.50 69.52 2joe s THR 37 CO 0.01 -0.72 1.13 -0.75 -0.54 0.00 0.00 174.62 173.76 2joe s LYS 38 N 2.40 3.45 -0.15 3.99 2.20 0.89 -0.50 119.74 132.03 2joe s LYS 38 Ca 0.13 -1.37 -0.18 0.00 -0.36 0.00 0.00 55.97 54.18 2joe s LYS 38 Cb -0.20 -4.78 -0.04 0.00 -1.51 0.00 0.00 37.83 31.31 2joe s LYS 38 CO 0.11 -1.86 0.49 0.42 -0.36 0.00 0.00 175.35 174.16 2joe s ILE 39 N 3.48 5.16 0.44 5.43 1.01 0.41 -0.88 121.20 136.24 2joe s ILE 39 Ca 0.32 0.96 -0.20 0.00 0.00 0.00 0.00 60.65 61.73 2joe s ILE 39 Cb -0.07 -3.83 -0.10 0.00 0.01 0.00 0.00 42.46 38.47 2joe s ILE 39 CO -0.04 0.27 0.94 -1.10 0.00 0.00 0.00 174.94 175.02 2joe s GLN 40 N 0.98 4.15 0.00 2.79 -1.52 -1.26 -0.30 119.66 124.51 2joe s GLN 40 Ca 0.25 1.05 0.00 0.00 -1.95 0.00 0.00 55.36 54.72 2joe s GLN 40 Cb -0.15 -2.19 0.00 0.00 -0.22 0.00 0.00 33.01 30.45 2joe s GLN 40 CO 0.10 -0.07 0.58 1.19 -0.25 0.00 0.00 175.29 176.84 2joe n PHE 41 N -0.83 0.00 -0.17 0.91 3.01 -0.63 -1.56 117.46 118.19 2joe n PHE 41 Ca 0.07 -0.20 0.00 0.00 1.01 0.00 0.00 57.45 58.32 2joe n PHE 41 Cb 0.54 -0.15 0.00 0.00 -0.01 0.00 0.00 39.48 39.86 2joe n PHE 41 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 2joe n ALA 42 N 0.38 1.52 0.01 4.37 0.00 -1.26 -4.60 120.51 120.93 2joe n ALA 42 Ca 0.00 -0.17 0.01 0.00 0.00 0.00 0.00 53.44 53.28 2joe n ALA 42 Cb 0.29 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 19.73 2joe n ALA 42 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 2joe n SER 43 N -0.33 3.93 0.03 0.00 7.64 -0.60 -4.75 113.62 119.55 2joe n SER 43 Ca 0.00 -0.08 -0.20 0.00 1.01 0.00 0.00 58.87 59.60 2joe n SER 43 Cb 0.04 1.06 -0.14 0.00 -1.01 0.00 0.00 64.21 64.16 2joe n SER 43 CO 0.00 0.00 0.00 -0.29 -3.01 0.00 0.00 175.04 171.74 2joe h ILE 44 N 0.00 0.85 -0.09 0.44 2.10 -1.80 -3.49 117.51 115.53 2joe h ILE 44 Ca 0.00 -2.52 0.00 0.00 1.08 0.00 0.00 64.86 63.42 2joe h ILE 44 Cb 0.07 2.63 0.00 0.00 -1.09 0.00 0.00 36.82 38.42 2joe h ILE 44 CO 0.00 0.83 0.00 0.61 -1.08 0.00 0.00 178.15 178.51 2joe n GLY 45 N 1.84 1.34 3.18 8.18 0.00 -1.26 -5.10 105.19 113.36 2joe n GLY 45 Ca -0.25 -0.12 -0.32 0.00 0.00 0.00 0.00 46.02 45.33 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 -2.09 2.18 -0.49 4.61 0.00 -1.26 -4.92 121.76 119.80 2joe s ALA 46 Ca 0.00 -1.03 0.21 0.00 0.00 0.00 0.00 51.96 51.14 2joe s ALA 46 Cb 0.00 -0.92 -0.27 0.00 0.00 0.00 0.00 23.12 21.92 2joe s ALA 46 CO 0.00 0.07 0.66 -2.37 0.00 0.00 0.00 175.76 174.12 2joe n THR 47 N 3.91 0.00 -4.25 0.00 5.66 -1.26 -4.78 114.28 113.55 2joe n THR 47 Ca -0.20 -0.25 -0.15 0.00 -3.05 0.00 0.00 64.05 60.40 2joe n THR 47 Cb 0.52 0.50 -0.10 0.00 -1.55 0.00 0.00 70.33 69.71 2joe n THR 47 CO 0.00 0.00 0.00 0.42 -3.05 0.00 0.00 175.07 172.44 2joe s THR 48 N -3.19 0.12 0.25 1.09 -4.23 -1.26 -5.01 115.64 103.42 2joe s THR 48 Ca -0.00 -2.00 -0.06 0.00 -1.18 0.00 0.00 61.69 58.45 2joe s THR 48 Cb 0.14 -2.52 0.24 0.00 1.34 0.00 0.00 72.50 71.71 2joe s THR 48 CO 0.85 0.00 1.91 0.11 -0.54 0.00 0.00 174.62 176.95 2joe h LYS 49 N 2.44 1.27 -0.08 3.99 1.57 -1.94 -1.84 116.57 121.99 2joe h LYS 49 Ca -0.34 -0.10 -0.20 0.00 -1.87 0.00 0.00 60.65 58.14 2joe h LYS 49 Cb 1.25 -0.27 -0.00 0.00 0.08 0.00 0.00 32.23 33.28 2joe h LYS 49 CO 0.51 0.87 -0.78 0.93 -0.57 0.00 0.00 179.45 180.42 2joe h GLU 50 N 1.30 0.47 -0.81 3.15 5.08 -1.99 -1.66 114.58 120.13 2joe h GLU 50 Ca 0.34 -0.40 -0.03 0.00 -1.00 0.00 0.00 59.36 58.27 2joe h GLU 50 Cb -0.09 0.09 -0.04 0.00 0.50 0.00 0.00 28.75 29.21 2joe h GLU 50 CO -0.07 1.04 0.39 -0.44 -1.00 0.00 0.00 179.01 178.93 2joe h ASP 51 N 0.31 1.06 -0.56 1.42 3.32 -1.91 0.28 116.42 120.33 2joe h ASP 51 Ca -0.04 -0.14 -0.01 0.00 0.02 0.00 0.00 57.03 56.86 2joe h ASP 51 Cb 1.37 -0.27 -0.03 0.00 0.22 0.00 0.00 39.33 40.62 2joe h ASP 51 CO 0.14 0.90 0.32 0.00 -1.72 0.00 0.00 179.24 178.87 2joe h ALA 52 N 1.20 0.72 -0.42 3.45 0.00 -1.05 -2.28 119.26 120.89 2joe h ALA 52 Ca 0.28 -0.09 -0.04 0.00 0.00 0.00 0.00 54.91 55.05 2joe h ALA 52 Cb 0.12 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.67 2joe h ALA 52 CO -0.03 0.24 0.09 0.00 0.00 0.00 0.00 179.25 179.55 2joe h ALA 53 N 1.14 0.55 -0.10 0.00 0.00 -0.98 0.20 119.26 120.08 2joe h ALA 53 Ca 0.20 -0.20 0.03 0.00 0.00 0.00 0.00 54.91 54.94 2joe h ALA 53 Cb 0.03 -0.16 -0.00 0.00 0.00 0.00 0.00 17.79 17.66 2joe h ALA 53 CO -0.03 0.24 0.15 -0.22 0.00 0.00 0.00 179.25 179.38 2joe h LYS 54 N 0.54 0.00 0.04 0.00 3.64 -0.65 0.24 116.57 120.38 2joe h LYS 54 Ca 0.13 0.00 -0.33 0.00 -1.27 0.00 0.00 60.65 59.18 2joe h LYS 54 Cb 0.33 0.00 -0.04 0.00 -0.41 0.00 0.00 32.23 32.11 2joe h LYS 54 CO 0.00 0.00 -1.86 2.41 -2.27 0.00 0.00 179.45 177.73 2joe n THR 55 N -3.60 1.60 0.05 1.00 -1.04 -0.88 -4.57 114.28 106.84 2joe n THR 55 Ca -0.00 -0.34 -0.08 0.00 -2.04 0.00 0.00 64.05 61.59 2joe n THR 55 Cb 0.25 -1.85 -0.13 0.00 -1.82 0.00 0.00 70.33 66.78 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 -0.58 0.04 0.18 -4.42 3.38 -0.09 -3.26 115.31 110.57 2joe h LEU 56 Ca -0.47 -0.05 0.01 0.00 0.09 0.00 0.00 57.88 57.46 2joe h LEU 56 Cb 1.64 -0.01 -0.02 0.00 0.09 0.00 0.00 40.66 42.36 2joe h LEU 56 CO -0.15 1.04 -0.21 -0.33 0.09 0.00 0.00 178.44 178.87 2joe h GLU 57 N 0.01 -0.42 0.00 1.13 5.08 -0.75 0.64 114.58 120.27 2joe h GLU 57 Ca -0.07 0.03 -0.01 0.00 -1.00 0.00 0.00 59.36 58.30 2joe h GLU 57 Cb 1.83 0.10 -0.00 0.00 0.50 0.00 0.00 28.75 31.18 2joe h GLU 57 CO 0.13 -0.28 -0.06 -1.00 -1.00 0.00 0.00 179.01 176.79 2joe h PRO 58 N -0.44 0.00 0.10 2.33 0.13 -1.78 0.42 132.00 132.77 2joe h PRO 58 Ca 0.01 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 65.13 2joe h PRO 58 Cb 0.42 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.55 2joe h PRO 58 CO -0.07 0.06 -0.05 -0.07 -0.23 0.00 0.00 178.00 177.64 2joe h LEU 59 N 0.00 -0.12 -1.44 1.56 3.38 -1.39 -3.11 115.31 114.19 2joe h LEU 59 Ca -0.00 -0.45 -0.05 0.00 0.09 0.00 0.00 57.88 57.47 2joe h LEU 59 Cb 0.29 0.03 -0.01 0.00 0.09 0.00 0.00 40.66 41.06 2joe h LEU 59 CO 0.01 0.51 -0.19 0.77 0.09 0.00 0.00 178.44 179.63 2joe h SER 60 N -0.87 0.13 0.33 -0.43 4.64 -0.78 -1.88 113.55 114.67 2joe h SER 60 Ca -0.01 -0.03 0.00 0.00 -0.47 0.00 0.00 61.79 61.28 2joe h SER 60 Cb 0.56 -0.03 0.00 0.00 -0.31 0.00 0.00 62.40 62.62 2joe h SER 60 CO 0.02 0.33 0.00 0.00 -0.87 0.00 0.00 176.83 176.31 2joe n ALA 61 N -2.49 1.66 0.21 5.18 0.00 0.13 -1.84 120.51 123.36 2joe n ALA 61 Ca -0.01 -0.05 0.07 0.00 0.00 0.00 0.00 53.44 53.45 2joe n ALA 61 Cb 0.28 -1.20 0.44 0.00 0.00 0.00 0.00 19.45 18.97 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 0.00 0.22 0.00 1.57 -1.27 -2.95 116.57 114.15 2joe h LYS 62 Ca 0.00 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.77 2joe h LYS 62 Cb 0.16 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.48 2joe h LYS 62 CO 0.00 0.30 -0.11 1.88 -0.57 0.00 0.00 179.45 180.95 2joe h TYR 63 N 0.00 -0.28 -4.23 -1.35 -1.99 -1.55 -3.48 116.97 104.09 2joe h TYR 63 Ca -0.00 -0.01 -0.27 0.00 2.00 0.00 0.00 58.73 60.45 2joe h TYR 63 Cb 0.72 0.09 0.09 0.00 2.00 0.00 0.00 36.73 39.64 2joe h TYR 63 CO 0.00 0.10 -0.46 1.17 -0.00 0.00 0.00 178.16 178.98 2joe n LYS 64 N -5.00 -5.32 -3.38 4.88 4.81 -1.12 -3.03 118.16 110.00 2joe n LYS 64 Ca -0.08 0.56 -0.19 0.00 -0.87 0.00 0.00 58.31 57.74 2joe n LYS 64 Cb 0.26 -4.80 0.07 0.00 0.02 0.00 0.00 35.03 30.58 2joe n LYS 64 CO 0.00 0.00 0.00 0.09 1.17 0.00 0.00 177.40 178.66 2joe n ASN 65 N -1.54 -5.42 0.00 3.14 5.03 -1.26 -4.96 115.26 110.24 2joe n ASN 65 Ca 0.00 -0.76 0.00 0.00 0.87 0.00 0.00 54.58 54.69 2joe n ASN 65 Cb 0.54 -4.79 0.00 0.00 -1.02 0.00 0.00 39.78 34.51 2joe n ASN 65 CO 0.00 0.00 0.00 -0.38 -1.83 0.00 0.00 177.26 175.05 2joe n ILE 66 N -3.59 0.00 -3.22 2.41 5.41 -1.17 -4.79 119.36 114.40 2joe n ILE 66 Ca -0.12 1.37 -0.02 0.00 1.00 0.00 0.00 62.75 64.98 2joe n ILE 66 Cb 0.63 -2.20 -0.03 0.00 -0.71 0.00 0.00 39.64 37.33 2joe n ILE 66 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 2joe s ALA 67 N -3.07 -1.84 -2.06 -1.39 0.00 -1.26 -4.74 121.76 107.39 2joe s ALA 67 Ca 0.00 0.89 0.00 0.00 0.00 0.00 0.00 51.96 52.85 2joe s ALA 67 Cb 0.00 -2.24 0.00 0.00 0.00 0.00 0.00 23.12 20.88 2joe s ALA 67 CO 0.00 -1.66 0.00 0.41 0.00 0.00 0.00 175.76 174.51 2joe n GLY 68 N 5.39 1.49 3.63 0.00 0.00 -1.26 -2.79 105.19 111.66 2joe n GLY 68 Ca 0.02 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.62 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 -2.75 4.81 -0.81 1.61 -7.23 -1.25 -3.23 120.40 111.54 2joe s VAL 69 Ca 0.00 1.45 -0.18 0.00 -1.81 0.00 0.00 61.98 61.44 2joe s VAL 69 Cb 0.00 -4.13 0.15 0.00 0.56 0.00 0.00 36.38 32.95 2joe s VAL 69 CO 0.00 -0.14 0.93 -1.61 -0.31 0.00 0.00 175.10 173.96 2joe s GLU 70 N 2.91 3.46 -0.81 4.82 2.02 0.11 -4.78 118.70 126.42 2joe s GLU 70 Ca 0.34 -1.82 -0.20 0.00 0.02 0.00 0.00 54.97 53.32 2joe s GLU 70 Cb -0.15 -4.60 0.11 0.00 0.10 0.00 0.00 34.13 29.59 2joe s GLU 70 CO 0.09 -1.59 1.03 -1.83 0.02 0.00 0.00 175.26 172.99 2joe s GLU 71 N 2.04 3.40 -0.18 1.61 -1.05 -1.26 -1.03 118.70 122.23 2joe s GLU 71 Ca 0.23 -1.44 -0.01 0.00 -0.15 0.00 0.00 54.97 53.60 2joe s GLU 71 Cb -0.11 -4.64 -0.00 0.00 -0.44 0.00 0.00 34.13 28.94 2joe s GLU 71 CO -0.05 -1.76 -0.12 0.15 0.95 0.00 0.00 175.26 174.43 2joe s LYS 72 N 3.09 3.26 -0.37 -4.83 1.02 0.32 -5.00 119.74 117.24 2joe s LYS 72 Ca 0.27 -0.71 -0.12 0.00 0.02 0.00 0.00 55.97 55.44 2joe s LYS 72 Cb -0.10 -2.74 0.01 0.00 -0.52 0.00 0.00 37.83 34.48 2joe s LYS 72 CO -0.02 -0.05 0.22 -0.51 -0.92 0.00 0.00 175.35 174.07 2joe s LEU 73 N 1.02 4.67 -0.35 3.17 1.43 -1.26 -0.20 118.68 127.16 2joe s LEU 73 Ca -0.01 -0.82 -0.12 0.00 -1.03 0.00 0.00 54.13 52.15 2joe s LEU 73 Cb -0.15 -2.06 -0.00 0.00 0.03 0.00 0.00 46.19 44.01 2joe s LEU 73 CO -0.02 -0.35 0.22 0.42 0.23 0.00 0.00 176.35 176.85 2joe s THR 74 N 1.61 5.00 -0.42 5.49 -4.23 -0.42 -4.98 115.64 117.70 2joe s THR 74 Ca 0.04 -0.45 -0.07 0.00 -1.18 0.00 0.00 61.69 60.03 2joe s THR 74 Cb -0.19 -3.64 0.09 0.00 1.34 0.00 0.00 72.50 70.11 2joe s THR 74 CO 0.08 -0.08 0.24 -0.31 -0.54 0.00 0.00 174.62 174.01 2joe s TYR 75 N 1.66 3.40 0.00 3.99 2.02 -1.26 -0.94 117.35 126.22 2joe s TYR 75 Ca 0.05 -1.79 0.00 0.00 -0.37 0.00 0.00 57.07 54.96 2joe s TYR 75 Cb -0.18 -3.03 0.00 0.00 -0.40 0.00 0.00 41.96 38.35 2joe s TYR 75 CO 0.09 -0.89 0.02 2.41 -1.57 0.00 0.00 175.55 175.61 2joe n THR 76 N 4.83 0.00 0.00 -0.71 -1.04 -1.07 -5.04 114.28 111.24 2joe n THR 76 Ca -0.08 0.40 0.00 0.00 -2.04 0.00 0.00 64.05 62.33 2joe n THR 76 Cb 0.42 -1.16 0.00 0.00 -1.82 0.00 0.00 70.33 67.78 2joe n THR 76 CO 0.00 0.00 0.00 -0.67 -0.64 0.00 0.00 175.07 173.76 2joe n ASP 77 N -1.62 0.00 0.03 8.00 2.03 -1.26 -4.94 116.55 118.79 2joe n ASP 77 Ca 0.00 0.00 0.12 0.00 0.52 0.00 0.00 54.79 55.43 2joe n ASP 77 Cb 0.00 0.00 0.17 0.00 -0.72 0.00 0.00 41.12 40.57 2joe n ASP 77 CO 0.00 0.00 0.00 0.41 -1.92 0.00 0.00 177.20 175.69 2joe n THR 78 N 0.00 0.20 -3.64 5.18 -1.04 -1.26 -4.85 114.28 108.86 2joe n THR 78 Ca 0.00 -0.18 -0.14 0.00 -2.04 0.00 0.00 64.05 61.70 2joe n THR 78 Cb 0.00 0.07 -0.06 0.00 -1.82 0.00 0.00 70.33 68.51 2joe n THR 78 CO 0.00 0.00 0.00 -0.72 -0.64 0.00 0.00 175.07 173.71 2joe s TYR 79 N -3.12 -0.33 -0.08 -1.42 1.13 -1.26 -1.61 117.35 110.66 2joe s TYR 79 Ca 0.07 0.37 0.01 0.00 -1.41 0.00 0.00 57.07 56.11 2joe s TYR 79 Cb 0.15 0.25 0.02 0.00 -1.10 0.00 0.00 41.96 41.28 2joe s TYR 79 CO 0.73 -0.57 -0.10 0.00 -2.51 0.00 0.00 175.55 173.10 2joe s ALA 80 N -2.23 1.24 -0.27 9.51 0.00 0.59 -2.60 121.76 128.00 2joe s ALA 80 Ca -0.07 -0.44 -0.05 0.00 0.00 0.00 0.00 51.96 51.41 2joe s ALA 80 Cb -0.01 -0.69 0.01 0.00 0.00 0.00 0.00 23.12 22.43 2joe s ALA 80 CO -0.00 -0.10 0.03 -1.14 0.00 0.00 0.00 175.76 174.54 2joe s GLN 81 N 1.08 3.02 -0.87 0.00 0.74 -0.12 -0.45 119.66 123.06 2joe s GLN 81 Ca -0.07 -0.89 -0.22 0.00 0.05 0.00 0.00 55.36 54.24 2joe s GLN 81 Cb -0.14 -3.22 0.08 0.00 1.10 0.00 0.00 33.01 30.83 2joe s GLN 81 CO -0.01 -0.42 1.20 -2.00 -0.55 0.00 0.00 175.29 173.51 2joe s GLU 82 N 1.44 3.43 -0.63 1.67 2.12 0.35 -1.30 118.70 125.77 2joe s GLU 82 Ca 0.02 -1.17 -0.24 0.00 0.36 0.00 0.00 54.97 53.94 2joe s GLU 82 Cb -0.17 -4.79 0.06 0.00 0.26 0.00 0.00 34.13 29.49 2joe s GLU 82 CO -0.00 -1.96 0.99 -0.80 -0.54 0.00 0.00 175.26 172.95 2joe s ASN 83 N 4.05 6.22 -0.36 -1.70 0.01 0.72 -0.73 114.94 123.14 2joe s ASN 83 Ca 0.34 -0.73 -0.03 0.00 -0.71 0.00 0.00 52.86 51.74 2joe s ASN 83 Cb -0.07 -2.44 0.08 0.00 0.41 0.00 0.00 41.25 39.23 2joe s ASN 83 CO -0.02 -1.42 0.11 -0.69 -1.51 0.00 0.00 177.10 173.57 2joe s VAL 84 N 4.22 3.19 -0.48 1.60 1.01 -0.11 -0.52 120.40 129.31 2joe s VAL 84 Ca 0.26 -1.73 -0.17 0.00 0.00 0.00 0.00 61.98 60.34 2joe s VAL 84 Cb -0.14 -3.03 0.07 0.00 0.00 0.00 0.00 36.38 33.28 2joe s VAL 84 CO 0.14 -0.43 0.46 -0.89 0.00 0.00 0.00 175.10 174.38 2joe s THR 85 N 1.20 5.13 -0.19 3.92 2.01 -0.20 0.29 115.64 127.80 2joe s THR 85 Ca 0.02 -0.88 -0.17 0.00 0.31 0.00 0.00 61.69 60.97 2joe s THR 85 Cb -0.21 -4.17 -0.04 0.00 0.01 0.00 0.00 72.50 68.09 2joe s THR 85 CO -0.03 -0.64 0.46 -0.63 -0.69 0.00 0.00 174.62 173.10 2joe s ILE 86 N 1.94 5.16 -0.33 1.82 1.09 0.61 0.10 121.20 131.58 2joe s ILE 86 Ca 0.07 0.86 -0.25 0.00 -1.10 0.00 0.00 60.65 60.23 2joe s ILE 86 Cb -0.23 -3.79 0.01 0.00 -1.06 0.00 0.00 42.46 37.39 2joe s ILE 86 CO 0.08 0.23 0.87 -0.62 -0.10 0.00 0.00 174.94 175.41 2joe s ASP 87 N 1.02 6.70 -0.08 3.58 2.15 -1.12 -0.17 116.67 128.74 2joe s ASP 87 Ca 0.22 0.66 0.13 0.00 0.43 0.00 0.00 52.55 54.00 2joe s ASP 87 Cb -0.15 -2.44 0.52 0.00 -0.30 0.00 0.00 42.92 40.55 2joe s ASP 87 CO 0.09 -0.74 1.39 0.23 -0.17 0.00 0.00 175.17 175.97 2joe n MET 88 N 6.49 2.97 0.00 4.34 2.81 0.12 -2.84 117.12 131.01 2joe n MET 88 Ca 0.06 -2.06 0.10 0.00 -1.81 0.00 0.00 57.70 53.99 2joe n MET 88 Cb 0.48 -1.72 -0.01 0.00 -0.71 0.00 0.00 33.22 31.26 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 0.75 1.35 0.00 0.03 -0.58 -1.25 -4.41 120.64 116.53 2joe n GLU 89 Ca 0.19 -0.87 0.00 0.00 -0.42 0.00 0.00 57.16 56.06 2joe n GLU 89 Cb 0.68 -1.40 0.00 0.00 -0.57 0.00 0.00 31.44 30.15 2joe n GLU 89 CO 0.00 0.00 0.00 1.17 -0.48 0.00 0.00 177.13 177.82 2joe n LYS 90 N -0.15 -0.01 -1.59 3.49 4.81 -1.20 -5.11 118.16 118.39 2joe n LYS 90 Ca 0.08 -0.12 -0.53 0.00 -0.87 0.00 0.00 58.31 56.87 2joe n LYS 90 Cb 0.41 -0.52 -0.06 0.00 0.02 0.00 0.00 35.03 34.88 2joe n LYS 90 CO 0.00 0.00 0.00 1.33 1.17 0.00 0.00 177.40 179.90 2joe n VAL 91 N -0.00 0.02 -3.25 3.15 0.24 -1.13 -4.75 118.33 112.61 2joe n VAL 91 Ca 0.00 -0.00 -0.46 0.00 -2.04 0.00 0.00 64.34 61.84 2joe n VAL 91 Cb 0.29 -0.80 -0.04 0.00 -1.47 0.00 0.00 33.84 31.81 2joe n VAL 91 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 2joe s ASP 92 N 0.64 6.29 0.13 -1.34 2.15 -1.26 -4.92 116.67 118.36 2joe s ASP 92 Ca 0.86 -1.85 0.20 0.00 0.43 0.00 0.00 52.55 52.19 2joe s ASP 92 Cb -0.98 -2.24 0.84 0.00 -0.30 0.00 0.00 42.92 40.24 2joe s ASP 92 CO 0.48 -0.89 1.63 0.49 -0.17 0.00 0.00 175.17 176.72 2joe n PHE 93 N 5.37 0.43 -0.07 -5.34 3.72 -1.26 -2.31 117.46 117.99 2joe n PHE 93 Ca -0.07 0.16 -0.10 0.00 -0.05 0.00 0.00 57.45 57.39 2joe n PHE 93 Cb 0.42 -0.76 -0.03 0.00 -0.94 0.00 0.00 39.48 38.17 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 0.00 0.36 0.09 -1.08 1.79 -2.01 -1.07 116.57 114.66 2joe h LYS 94 Ca 0.00 -0.04 -0.14 0.00 -2.18 0.00 0.00 60.65 58.29 2joe h LYS 94 Cb 0.36 -0.07 0.01 0.00 -1.58 0.00 0.00 32.23 30.95 2joe h LYS 94 CO 0.00 0.32 -0.64 0.00 -1.08 0.00 0.00 179.45 178.05 2joe h ALA 95 N 1.02 -0.03 0.00 3.86 0.00 -1.96 -3.35 119.26 118.80 2joe h ALA 95 Ca 0.09 -0.69 -0.00 0.00 0.00 0.00 0.00 54.91 54.31 2joe h ALA 95 Cb 0.07 0.12 -0.00 0.00 0.00 0.00 0.00 17.79 17.98 2joe h ALA 95 CO -0.01 0.31 -0.01 1.25 0.00 0.00 0.00 179.25 180.79 2joe h LEU 96 N -0.57 0.00 -2.23 0.00 6.46 -1.47 -1.20 115.31 116.31 2joe h LEU 96 Ca -0.12 0.00 0.04 0.00 -0.12 0.00 0.00 57.88 57.69 2joe h LEU 96 Cb 1.45 0.00 -0.01 0.00 -0.73 0.00 0.00 40.66 41.38 2joe h LEU 96 CO 0.09 0.01 0.16 -0.61 -0.62 0.00 0.00 178.44 177.47 2joe h GLN 97 N 0.00 0.00 0.00 1.25 4.15 -1.32 -1.35 115.11 117.84 2joe h GLN 97 Ca -0.00 0.00 -0.19 0.00 0.77 0.00 0.00 58.65 59.23 2joe h GLN 97 Cb 0.04 0.00 -0.03 0.00 0.21 0.00 0.00 27.48 27.70 2joe h GLN 97 CO 0.00 0.00 -1.20 0.78 -1.93 0.00 0.00 178.83 176.48 2joe h GLY 98 N 0.00 0.00 -7.69 2.39 0.00 -1.45 -3.44 103.07 92.88 2joe h GLY 98 Ca 0.07 0.00 -0.67 0.00 0.00 0.00 0.00 47.33 46.73 2joe h GLY 98 CO -0.00 0.00 -0.69 -0.42 0.00 0.00 0.00 176.54 175.43 2joe s ILE 99 N -2.83 2.62 0.30 2.60 1.09 -0.51 -4.79 121.20 119.69 2joe s ILE 99 Ca -0.01 -1.99 0.00 0.00 -1.10 0.00 0.00 60.65 57.55 2joe s ILE 99 Cb 0.08 -2.76 0.00 0.00 -1.06 0.00 0.00 42.46 38.73 2joe s ILE 99 CO 0.80 -0.43 0.00 -1.54 -0.10 0.00 0.00 174.94 173.67 2joe n SER 100 N 4.43 -2.68 -0.75 3.58 3.41 -1.26 -4.85 113.62 115.50 2joe n SER 100 Ca -0.04 0.64 -0.09 0.00 -0.26 0.00 0.00 58.87 59.12 2joe n SER 100 Cb 0.42 2.65 -0.04 0.00 -0.26 0.00 0.00 64.21 66.98 2joe n SER 100 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2joe n GLY 101 N -1.41 1.03 3.88 5.00 0.00 -1.26 -5.01 105.19 107.42 2joe n GLY 101 Ca 0.00 -0.60 -0.36 0.00 0.00 0.00 0.00 46.02 45.06 2joe n GLY 101 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2joe s ILE 102 N -2.36 5.43 -1.23 -0.61 1.01 -1.26 -5.00 121.20 117.18 2joe s ILE 102 Ca 0.00 0.15 -0.20 0.00 0.00 0.00 0.00 60.65 60.60 2joe s ILE 102 Cb 0.00 -3.48 -0.01 0.00 0.01 0.00 0.00 42.46 38.98 2joe s ILE 102 CO 0.00 0.51 1.86 -3.20 0.00 0.00 0.00 174.94 174.11 2joe n ASN 103 N 1.59 3.96 -4.05 3.58 5.15 -1.26 -4.88 115.26 119.35 2joe n ASN 103 Ca -0.16 -2.81 -0.15 0.00 -0.60 0.00 0.00 54.58 50.86 2joe n ASN 103 Cb 0.54 -1.70 -0.13 0.00 -0.53 0.00 0.00 39.78 37.97 2joe n ASN 103 CO 0.00 0.00 0.00 0.54 1.40 0.00 0.00 177.26 179.20 2joe s VAL 104 N 6.95 0.61 0.26 3.44 0.11 -1.26 -4.25 120.40 126.26 2joe s VAL 104 Ca 0.60 -0.83 -0.30 0.00 -2.93 0.00 0.00 61.98 58.52 2joe s VAL 104 Cb 0.04 -0.61 -0.09 0.00 -1.53 0.00 0.00 36.38 34.18 2joe s VAL 104 CO 0.09 -0.18 1.03 -0.55 -3.33 0.00 0.00 175.10 172.17 2joe s SER 105 N -1.10 7.44 0.54 3.54 0.15 -1.26 -4.92 113.70 118.08 2joe s SER 105 Ca -0.05 2.13 0.31 0.00 0.70 0.00 0.00 55.95 59.04 2joe s SER 105 Cb -0.07 -2.62 1.50 0.00 -1.71 0.00 0.00 66.02 63.12 2joe s SER 105 CO 0.00 -0.01 2.06 0.00 1.20 0.00 0.00 173.24 176.49 2joe h ALA 106 N 3.99 1.12 0.00 5.45 0.00 -1.99 -0.12 119.26 127.71 2joe h ALA 106 Ca -0.46 -0.08 -0.05 0.00 0.00 0.00 0.00 54.91 54.32 2joe h ALA 106 Cb 1.21 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.98 2joe h ALA 106 CO 0.67 0.11 -0.23 0.93 0.00 0.00 0.00 179.25 180.73 2joe h GLU 107 N 0.00 0.00 0.00 0.00 5.08 -1.98 -3.08 114.58 114.60 2joe h GLU 107 Ca -0.00 0.00 -0.24 0.00 -1.00 0.00 0.00 59.36 58.12 2joe h GLU 107 Cb 0.39 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.61 2joe h GLU 107 CO 0.01 0.23 -1.33 -3.47 -1.00 0.00 0.00 179.01 173.45 2joe n ASP 108 N -3.29 1.86 -0.37 1.42 -0.08 -0.18 -3.81 116.55 112.11 2joe n ASP 108 Ca 0.01 0.42 0.03 0.00 -1.51 0.00 0.00 54.79 53.74 2joe n ASP 108 Cb 0.49 -0.96 0.18 0.00 2.34 0.00 0.00 41.12 43.17 2joe n ASP 108 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 2joe h ALA 109 N -0.51 1.41 -0.05 -1.67 0.00 -1.34 -1.50 119.26 115.60 2joe h ALA 109 Ca -0.37 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.52 2joe h ALA 109 Cb 1.32 -0.30 0.00 0.00 0.00 0.00 0.00 17.79 18.81 2joe h ALA 109 CO -0.22 0.43 0.00 1.63 0.00 0.00 0.00 179.25 181.09 2joe n LYS 110 N -4.50 1.22 0.09 0.00 5.02 -1.16 -2.57 118.16 116.25 2joe n LYS 110 Ca 0.16 -0.33 -0.13 0.00 -2.02 0.00 0.00 58.31 55.99 2joe n LYS 110 Cb 0.19 -1.33 -0.08 0.00 -0.02 0.00 0.00 35.03 33.79 2joe n LYS 110 CO 0.00 0.00 0.00 0.87 -0.52 0.00 0.00 177.40 177.75 2joe h LYS 111 N 0.67 0.28 0.00 1.97 1.57 -1.36 -3.49 116.57 116.20 2joe h LYS 111 Ca 0.00 -0.38 0.00 0.00 -1.87 0.00 0.00 60.65 58.40 2joe h LYS 111 Cb 0.15 0.13 0.00 0.00 0.08 0.00 0.00 32.23 32.58 2joe h LYS 111 CO 0.00 1.12 0.00 0.41 -0.57 0.00 0.00 179.45 180.41 2joe n GLY 112 N 1.22 0.81 3.70 3.86 0.00 -1.06 -5.05 105.19 108.66 2joe n GLY 112 Ca -0.06 -0.74 -0.42 0.00 0.00 0.00 0.00 46.02 44.79 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 2.68 0.21 -0.61 -1.09 -1.26 -5.00 121.20 116.13 2joe s ILE 113 Ca 0.00 0.31 0.02 0.00 -2.23 0.00 0.00 60.65 58.76 2joe s ILE 113 Cb 0.00 -3.20 0.02 0.00 -1.58 0.00 0.00 42.46 37.70 2joe s ILE 113 CO 0.00 0.01 0.19 0.35 -1.23 0.00 0.00 174.94 174.26 2joe n THR 114 N 4.42 0.00 -0.02 2.92 -2.24 -1.26 -4.10 114.28 114.01 2joe n THR 114 Ca 0.16 -0.79 -0.17 0.00 -2.27 0.00 0.00 64.05 60.98 2joe n THR 114 Cb 0.39 -0.45 -0.09 0.00 -2.10 0.00 0.00 70.33 68.07 2joe n THR 114 CO 0.00 0.00 0.00 -0.03 -0.57 0.00 0.00 175.07 174.47 2joe h MET 115 N 0.00 0.48 -0.56 -0.78 4.05 -1.85 -1.24 114.93 115.02 2joe h MET 115 Ca -0.12 -0.43 0.04 0.00 -0.28 0.00 0.00 59.70 58.91 2joe h MET 115 Cb 0.47 0.10 -0.04 0.00 -0.80 0.00 0.00 31.60 31.33 2joe h MET 115 CO 0.19 1.07 0.31 0.00 0.23 0.00 0.00 176.91 178.71 2joe h ALA 116 N 0.42 0.73 0.88 0.39 0.00 -1.94 -1.29 119.26 118.44 2joe h ALA 116 Ca -0.05 0.01 -0.04 0.00 0.00 0.00 0.00 54.91 54.83 2joe h ALA 116 Cb 1.21 -0.11 0.01 0.00 0.00 0.00 0.00 17.79 18.90 2joe h ALA 116 CO 0.11 -0.02 -0.45 1.96 0.00 0.00 0.00 179.25 180.85 2joe h GLN 117 N 0.59 -1.17 -0.64 0.00 4.20 -1.95 -2.79 115.11 113.35 2joe h GLN 117 Ca 0.24 0.08 0.13 0.00 0.06 0.00 0.00 58.65 59.16 2joe h GLN 117 Cb 0.12 0.27 -0.12 0.00 0.30 0.00 0.00 27.48 28.04 2joe h GLN 117 CO -0.15 -0.78 -0.17 1.98 -0.67 0.00 0.00 178.83 179.04 2joe h MET 118 N -1.22 -0.01 0.68 1.46 4.05 -0.98 0.38 114.93 119.30 2joe h MET 118 Ca -0.12 0.00 -0.03 0.00 -0.28 0.00 0.00 59.70 59.27 2joe h MET 118 Cb 0.94 0.00 -0.00 0.00 -0.80 0.00 0.00 31.60 31.74 2joe h MET 118 CO 0.18 -0.01 -0.40 0.93 0.23 0.00 0.00 176.91 177.84 2joe h GLU 119 N -0.01 -0.98 -0.35 0.39 4.39 -1.22 0.21 114.58 117.01 2joe h GLU 119 Ca 0.31 0.07 -0.12 0.00 0.34 0.00 0.00 59.36 59.96 2joe h GLU 119 Cb 0.48 0.22 -0.01 0.00 -0.10 0.00 0.00 28.75 29.34 2joe h GLU 119 CO -0.67 -0.65 -0.26 -0.07 -1.16 0.00 0.00 179.01 176.20 2joe h LEU 120 N -1.01 0.73 -0.05 1.33 4.07 -1.19 -2.68 115.31 116.50 2joe h LEU 120 Ca -0.09 -0.27 -0.25 0.00 0.08 0.00 0.00 57.88 57.35 2joe h LEU 120 Cb 0.81 -0.20 0.02 0.00 1.08 0.00 0.00 40.66 42.37 2joe h LEU 120 CO 0.10 0.96 -0.98 0.58 -1.08 0.00 0.00 178.44 178.01 2joe h VAL 121 N 0.61 1.29 -0.27 1.22 2.07 -0.17 -0.58 116.25 120.42 2joe h VAL 121 Ca 0.08 -2.21 -0.16 0.00 0.82 0.00 0.00 66.70 65.23 2joe h VAL 121 Cb 0.76 2.30 -0.00 0.00 -1.52 0.00 0.00 31.29 32.83 2joe h VAL 121 CO 0.06 0.68 -0.49 0.24 0.02 0.00 0.00 177.57 178.09 2joe h MET 122 N 0.41 0.74 0.00 1.57 2.86 -0.61 -2.12 114.93 117.78 2joe h MET 122 Ca -0.11 -0.43 0.00 0.00 -2.06 0.00 0.00 59.70 57.10 2joe h MET 122 Cb 1.63 0.04 0.00 0.00 0.06 0.00 0.00 31.60 33.32 2joe h MET 122 CO 0.19 1.06 0.00 1.63 1.06 0.00 0.00 176.91 180.85 2joe n LYS 123 N -4.01 0.12 0.11 1.72 5.02 -1.01 -2.01 118.16 118.10 2joe n LYS 123 Ca -0.03 0.14 -0.02 0.00 -2.02 0.00 0.00 58.31 56.38 2joe n LYS 123 Cb 0.58 -1.65 0.03 0.00 -0.02 0.00 0.00 35.03 33.97 2joe n LYS 123 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2joe h ALA 124 N 2.71 0.63 0.00 7.82 0.00 -0.64 -3.14 119.26 126.64 2joe h ALA 124 Ca 0.00 -0.65 0.00 0.00 0.00 0.00 0.00 54.91 54.26 2joe h ALA 124 Cb 0.57 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.25 2joe h ALA 124 CO 0.00 0.89 0.00 0.00 0.00 0.00 0.00 179.25 180.14 2joe n ALA 125 N -2.32 1.88 -0.63 0.00 0.00 -0.84 -4.86 120.51 113.74 2joe n ALA 125 Ca 0.00 -0.06 0.00 0.00 0.00 0.00 0.00 53.44 53.38 2joe n ALA 125 Cb 0.77 -1.32 0.00 0.00 0.00 0.00 0.00 19.45 18.91 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 0.49 0.63 3.90 0.00 0.00 -1.19 -4.81 105.19 104.21 2joe n GLY 126 Ca 0.05 -0.46 -0.29 0.00 0.00 0.00 0.00 46.02 45.32 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 -2.00 3.48 0.02 1.61 0.08 -1.18 -5.06 117.98 114.93 2joe s PHE 127 Ca 0.00 0.73 0.08 0.00 0.12 0.00 0.00 56.93 57.85 2joe s PHE 127 Cb 0.00 -2.17 -0.03 0.00 -0.57 0.00 0.00 43.02 40.25 2joe s PHE 127 CO 0.00 0.11 -0.23 -1.59 -0.10 0.00 0.00 175.22 173.42 2joe s LYS 128 N -3.61 2.01 0.45 0.44 -2.85 -1.26 -4.46 119.74 110.46 2joe s LYS 128 Ca 0.45 -0.99 -0.22 0.00 -1.00 0.00 0.00 55.97 54.21 2joe s LYS 128 Cb -0.11 -2.10 -0.08 0.00 -2.06 0.00 0.00 37.83 33.49 2joe s LYS 128 CO 0.30 0.54 1.07 -1.21 0.10 0.00 0.00 175.35 176.15 2joe s GLU 129 N -1.12 3.92 -0.00 1.78 2.02 -1.26 -1.75 118.70 122.29 2joe s GLU 129 Ca 0.12 1.52 0.01 0.00 0.02 0.00 0.00 54.97 56.64 2joe s GLU 129 Cb -0.10 -2.34 -0.01 0.00 0.10 0.00 0.00 34.13 31.78 2joe s GLU 129 CO 0.02 -0.35 0.02 1.33 0.02 0.00 0.00 175.26 176.30 2joe n VAL 130 N -0.51 0.00 -4.89 2.63 0.24 -0.44 -4.76 118.33 110.60 2joe n VAL 130 Ca 0.07 -0.13 0.00 0.00 -2.04 0.00 0.00 64.34 62.24 2joe n VAL 130 Cb 0.50 0.61 0.00 0.00 -1.47 0.00 0.00 33.84 33.48 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 -1.40 0.00 -3.96 7.34 4.76 0.13 -4.90 118.16 120.14 2joe n LYS 131 Ca -0.00 0.00 -0.19 0.00 -2.87 0.00 0.00 58.31 55.25 2joe n LYS 131 Cb 0.02 0.00 -0.06 0.00 -1.84 0.00 0.00 35.03 33.15 2joe n LYS 131 CO 0.00 0.00 0.00 1.28 -1.37 0.00 0.00 177.40 177.31 2joe n LEU 132 N 0.00 0.00 -4.67 -0.35 4.32 -1.26 -4.58 117.00 110.46 2joe n LEU 132 Ca 0.00 -2.63 -0.31 0.00 -0.02 0.00 0.00 56.01 53.06 2joe n LEU 132 Cb 0.00 1.06 0.16 0.00 -1.62 0.00 0.00 43.42 43.02 2joe n LEU 132 CO 0.00 -0.42 0.66 -1.83 -1.22 0.00 0.00 177.39 174.59 2joe s GLU 133 N -3.24 1.05 -0.61 3.23 4.04 -1.26 -4.88 118.70 117.03 2joe s GLU 133 Ca 0.23 1.35 -0.28 0.00 0.04 0.00 0.00 54.97 56.32 2joe s GLU 133 Cb 0.01 -1.75 0.02 0.00 0.02 0.00 0.00 34.13 32.44 2joe s GLU 133 CO 0.16 -2.55 1.35 -3.38 -1.84 0.00 0.00 175.26 169.01 2joe s HIS 134 N -2.70 2.34 -0.46 4.83 -3.43 -1.26 -4.95 115.29 109.66 2joe s HIS 134 Ca 0.66 0.36 -0.04 0.00 -0.80 0.00 0.00 55.06 55.24 2joe s HIS 134 Cb -0.22 -4.46 0.12 0.00 -1.43 0.00 0.00 32.58 26.59 2joe s HIS 134 CO 0.58 -1.91 0.27 -3.38 -2.00 0.00 0.00 174.74 168.30 2joe s HIS 135 N 5.84 3.54 -0.00 0.38 -3.43 -1.26 -4.78 115.29 115.57 2joe s HIS 135 Ca 0.47 -2.42 0.00 0.00 -0.80 0.00 0.00 55.06 52.31 2joe s HIS 135 Cb -0.09 -3.26 0.00 0.00 -1.43 0.00 0.00 32.58 27.80 2joe s HIS 135 CO 0.23 -0.95 0.76 0.72 -2.00 0.00 0.00 174.74 173.50 2joe n HIS 136 N 4.40 0.00 -2.78 0.38 8.25 -1.26 -5.03 115.22 119.18 2joe n HIS 136 Ca -0.01 -0.02 -0.43 0.00 -0.26 0.00 0.00 57.72 57.01 2joe n HIS 136 Cb 0.41 -0.03 -0.03 0.00 1.12 0.00 0.00 29.99 31.46 2joe n HIS 136 CO 0.00 0.00 0.00 -1.58 0.64 0.00 0.00 176.34 175.40 2joe s HIS 137 N -0.04 2.66 -0.07 4.41 5.04 -1.26 -4.77 115.29 121.26 2joe s HIS 137 Ca 0.00 -0.64 -0.17 0.00 -1.54 0.00 0.00 55.06 52.71 2joe s HIS 137 Cb 0.00 -4.40 -0.30 0.00 0.04 0.00 0.00 32.58 27.92 2joe s HIS 137 CO 0.00 -1.74 0.71 1.25 -2.34 0.00 0.00 174.74 172.62 2joe h HIS 138 N 9.55 0.57 0.00 3.88 2.76 -2.03 -3.56 115.15 126.32 2joe h HIS 138 Ca -0.15 -0.42 0.00 0.00 -2.20 0.00 0.00 60.37 57.61 2joe h HIS 138 Cb 1.05 -0.02 0.00 0.00 1.55 0.00 0.00 27.41 29.99 2joe h HIS 138 CO 1.07 1.51 0.00 1.58 -1.30 0.00 0.00 177.93 180.79