#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 3.31 2.01 3.17 0.00 -1.26 -5.07 105.19 107.35 2joe n GLY 2 Ca 0.00 -2.27 0.00 0.00 0.00 0.00 0.00 46.02 43.75 2joe n GLY 2 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2joe n ASP 3 N -1.58 -0.15 -3.71 1.61 2.03 -1.26 -5.01 116.55 108.49 2joe n ASP 3 Ca -0.06 0.04 -0.27 0.00 0.52 0.00 0.00 54.79 55.01 2joe n ASP 3 Cb 0.37 0.52 -0.17 0.00 -0.72 0.00 0.00 41.12 41.12 2joe n ASP 3 CO 0.00 0.00 0.00 -0.75 -1.92 0.00 0.00 177.20 174.53 2joe s LYS 4 N -2.00 0.50 -0.42 -0.67 2.20 -1.26 -4.67 119.74 113.41 2joe s LYS 4 Ca 0.00 -0.29 -0.22 0.00 -0.36 0.00 0.00 55.97 55.10 2joe s LYS 4 Cb 0.00 -1.95 0.03 0.00 -1.51 0.00 0.00 37.83 34.40 2joe s LYS 4 CO 0.00 -0.62 0.59 0.39 -0.36 0.00 0.00 175.35 175.34 2joe n GLU 5 N 5.12 -2.28 -3.53 4.03 1.02 -1.26 -4.96 120.64 118.78 2joe n GLU 5 Ca -0.08 1.94 -0.37 0.00 -0.02 0.00 0.00 57.16 58.62 2joe n GLU 5 Cb 0.48 -4.60 -0.09 0.00 -0.02 0.00 0.00 31.44 27.21 2joe n GLU 5 CO 0.00 0.00 0.00 -1.21 1.18 0.00 0.00 177.13 177.10 2joe s GLU 6 N -2.50 4.09 -0.30 3.49 0.41 -0.05 -4.90 118.70 118.94 2joe s GLU 6 Ca 0.27 -0.07 -0.15 0.00 -0.41 0.00 0.00 54.97 54.61 2joe s GLU 6 Cb -0.06 -3.56 -0.03 0.00 -1.78 0.00 0.00 34.13 28.70 2joe s GLU 6 CO 0.79 -0.03 0.37 -1.12 -0.49 0.00 0.00 175.26 174.77 2joe s SER 7 N 1.18 6.22 -0.22 -0.19 0.01 -1.26 -0.45 113.70 118.98 2joe s SER 7 Ca 0.12 0.11 -0.03 0.00 1.31 0.00 0.00 55.95 57.46 2joe s SER 7 Cb -0.14 -2.20 -0.00 0.00 0.21 0.00 0.00 66.02 63.88 2joe s SER 7 CO 0.07 -0.24 -0.06 -0.75 0.41 0.00 0.00 173.24 172.67 2joe s LYS 8 N 2.06 3.26 0.05 12.44 2.20 -0.78 -4.70 119.74 134.27 2joe s LYS 8 Ca 0.14 -0.70 0.07 0.00 -0.36 0.00 0.00 55.97 55.12 2joe s LYS 8 Cb -0.16 -2.97 -0.03 0.00 -1.51 0.00 0.00 37.83 33.16 2joe s LYS 8 CO 0.11 -0.23 -0.16 0.21 -0.36 0.00 0.00 175.35 174.92 2joe s LYS 9 N 1.44 2.09 0.05 4.03 2.20 -1.25 -0.75 119.74 127.56 2joe s LYS 9 Ca 0.05 -0.98 -0.09 0.00 -0.36 0.00 0.00 55.97 54.59 2joe s LYS 9 Cb -0.14 -2.23 0.00 0.00 -1.51 0.00 0.00 37.83 33.95 2joe s LYS 9 CO -0.04 0.54 0.19 -0.59 -0.36 0.00 0.00 175.35 175.08 2joe s PHE 10 N -1.00 0.09 -0.14 4.03 -0.12 -0.04 0.59 117.98 121.39 2joe s PHE 10 Ca 0.16 -0.35 -0.06 0.00 -0.05 0.00 0.00 56.93 56.63 2joe s PHE 10 Cb -0.11 -0.04 0.06 0.00 -0.63 0.00 0.00 43.02 42.30 2joe s PHE 10 CO 0.07 -0.45 0.30 0.45 -0.05 0.00 0.00 175.22 175.54 2joe s SER 11 N -2.24 0.08 -0.17 1.98 0.15 -0.39 -0.33 113.70 112.78 2joe s SER 11 Ca -0.03 0.67 0.01 0.00 0.70 0.00 0.00 55.95 57.30 2joe s SER 11 Cb 0.00 0.76 0.02 0.00 -1.71 0.00 0.00 66.02 65.09 2joe s SER 11 CO -0.05 -0.22 -0.16 0.00 1.20 0.00 0.00 173.24 174.00 2joe s ALA 12 N 2.17 2.11 -0.90 5.45 0.00 -0.14 -4.24 121.76 126.22 2joe s ALA 12 Ca -0.02 -1.11 -0.25 0.00 0.00 0.00 0.00 51.96 50.59 2joe s ALA 12 Cb -0.11 -1.15 0.04 0.00 0.00 0.00 0.00 23.12 21.89 2joe s ALA 12 CO -0.10 -0.44 1.39 -0.80 0.00 0.00 0.00 175.76 175.82 2joe s ASN 13 N 1.38 6.32 -1.44 0.00 -0.87 -1.26 -2.08 114.94 116.99 2joe s ASN 13 Ca 0.04 -1.00 -0.13 0.00 -1.57 0.00 0.00 52.86 50.20 2joe s ASN 13 Cb -0.13 -2.57 0.05 0.00 -0.02 0.00 0.00 41.25 38.58 2joe s ASN 13 CO -0.11 -1.68 2.21 0.18 -2.57 0.00 0.00 177.10 175.12 2joe n LEU 14 N 9.23 6.92 0.00 0.60 4.77 -0.06 -4.67 117.00 133.80 2joe n LEU 14 Ca 0.20 -4.23 0.00 0.00 -0.03 0.00 0.00 56.01 51.95 2joe n LEU 14 Cb 0.50 -1.63 0.00 0.00 -2.33 0.00 0.00 43.42 39.96 2joe n LEU 14 CO 0.68 1.20 0.00 -3.20 -1.33 0.00 0.00 177.39 174.74 2joe n ASN 15 N 5.63 0.00 0.00 -1.43 4.05 -1.26 -2.78 115.26 119.47 2joe n ASN 15 Ca 0.51 0.00 0.00 0.00 0.45 0.00 0.00 54.58 55.54 2joe n ASN 15 Cb 0.38 0.00 0.00 0.00 1.23 0.00 0.00 39.78 41.39 2joe n ASN 15 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 2joe n GLY 16 N 0.00 0.00 3.60 8.20 0.00 -1.26 -5.02 105.19 110.71 2joe n GLY 16 Ca 0.00 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.59 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 -1.32 4.30 -0.84 2.61 -4.23 -1.12 -4.35 115.64 110.69 2joe s THR 17 Ca 0.00 1.20 -0.22 0.00 -1.18 0.00 0.00 61.69 61.48 2joe s THR 17 Cb 0.00 -4.54 0.08 0.00 1.34 0.00 0.00 72.50 69.37 2joe s THR 17 CO 0.00 -0.90 1.18 -1.61 -0.54 0.00 0.00 174.62 172.75 2joe s GLU 18 N 4.20 3.38 -0.56 3.99 2.02 0.25 -0.88 118.70 131.11 2joe s GLU 18 Ca 0.45 -1.08 -0.20 0.00 0.02 0.00 0.00 54.97 54.17 2joe s GLU 18 Cb -0.08 -4.70 0.07 0.00 0.10 0.00 0.00 34.13 29.52 2joe s GLU 18 CO 0.28 -1.96 0.71 0.42 0.02 0.00 0.00 175.26 174.74 2joe s ILE 19 N 4.17 4.76 -0.39 -1.63 1.01 -0.88 -0.32 121.20 127.91 2joe s ILE 19 Ca 0.33 -0.61 -0.04 0.00 0.00 0.00 0.00 60.65 60.33 2joe s ILE 19 Cb -0.08 -4.43 0.09 0.00 0.01 0.00 0.00 42.46 38.06 2joe s ILE 19 CO 0.00 -1.01 0.18 0.00 0.00 0.00 0.00 174.94 174.11 2joe s ALA 20 N 2.89 3.13 -0.20 9.38 0.00 -0.39 -0.97 121.76 135.60 2joe s ALA 20 Ca 0.15 -2.30 -0.12 0.00 0.00 0.00 0.00 51.96 49.69 2joe s ALA 20 Cb -0.20 -2.39 -0.05 0.00 0.00 0.00 0.00 23.12 20.48 2joe s ALA 20 CO 0.10 -1.67 0.22 0.42 0.00 0.00 0.00 175.76 174.83 2joe s ILE 21 N 1.23 5.34 -0.52 0.00 1.01 0.55 -2.04 121.20 126.76 2joe s ILE 21 Ca 0.04 0.36 -0.01 0.00 0.00 0.00 0.00 60.65 61.04 2joe s ILE 21 Cb -0.22 -3.56 0.14 0.00 0.01 0.00 0.00 42.46 38.82 2joe s ILE 21 CO -0.02 0.37 0.31 -0.89 0.00 0.00 0.00 174.94 174.70 2joe s THR 22 N 0.76 3.26 -0.34 2.92 2.01 0.68 -0.86 115.64 124.07 2joe s THR 22 Ca 0.12 -2.74 -0.12 0.00 0.31 0.00 0.00 61.69 59.26 2joe s THR 22 Cb -0.13 -3.20 -0.01 0.00 0.01 0.00 0.00 72.50 69.18 2joe s THR 22 CO 0.03 -0.79 0.22 -0.72 -0.69 0.00 0.00 174.62 172.67 2joe s TYR 23 N 0.29 3.22 -0.24 4.92 1.13 0.07 -1.61 117.35 125.13 2joe s TYR 23 Ca 0.14 -0.42 -0.24 0.00 -1.41 0.00 0.00 57.07 55.15 2joe s TYR 23 Cb -0.22 -2.45 -0.01 0.00 -1.10 0.00 0.00 41.96 38.18 2joe s TYR 23 CO -0.03 -0.44 0.78 0.08 -2.51 0.00 0.00 175.55 173.43 2joe s VAL 24 N 1.67 4.87 0.20 -3.49 1.01 0.13 -1.87 120.40 122.93 2joe s VAL 24 Ca 0.05 1.47 0.08 0.00 0.00 0.00 0.00 61.98 63.59 2joe s VAL 24 Cb -0.18 -4.08 -0.04 0.00 0.00 0.00 0.00 36.38 32.09 2joe s VAL 24 CO 0.09 -0.04 -0.03 -0.72 0.00 0.00 0.00 175.10 174.40 2joe s TYR 25 N 2.70 2.74 -0.39 5.22 1.13 0.40 -1.64 117.35 127.51 2joe s TYR 25 Ca 0.33 -0.18 0.03 0.00 -1.41 0.00 0.00 57.07 55.84 2joe s TYR 25 Cb -0.15 -1.30 0.11 0.00 -1.10 0.00 0.00 41.96 39.51 2joe s TYR 25 CO 0.08 0.54 0.13 0.21 -2.51 0.00 0.00 175.55 174.00 2joe s LYS 26 N -3.08 1.46 7.03 -3.49 2.20 0.11 -0.87 119.74 123.10 2joe s LYS 26 Ca 0.28 -1.96 0.00 0.00 -0.36 0.00 0.00 55.97 53.93 2joe s LYS 26 Cb -0.08 -2.94 0.00 0.00 -1.51 0.00 0.00 37.83 33.30 2joe s LYS 26 CO 0.18 -1.02 0.00 0.41 -0.36 0.00 0.00 175.35 174.56 2joe n GLY 27 N 3.96 1.99 0.01 5.54 0.00 -1.26 -2.98 105.19 112.45 2joe n GLY 27 Ca 0.04 -0.41 0.11 0.00 0.00 0.00 0.00 46.02 45.75 2joe n GLY 27 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2joe n ASP 28 N 9.14 0.69 -4.64 1.61 9.92 -1.26 -4.89 116.55 127.12 2joe n ASP 28 Ca 0.00 -0.61 -0.38 0.00 -0.53 0.00 0.00 54.79 53.28 2joe n ASP 28 Cb 0.00 1.14 -0.09 0.00 -0.64 0.00 0.00 41.12 41.53 2joe n ASP 28 CO 0.00 0.00 0.00 -0.75 0.13 0.00 0.00 177.20 176.58 2joe s LYS 29 N -3.15 4.06 -0.09 -1.24 2.20 -1.16 -1.24 119.74 119.12 2joe s LYS 29 Ca 0.04 -0.10 -0.29 0.00 -0.36 0.00 0.00 55.97 55.26 2joe s LYS 29 Cb 0.15 -3.59 -0.02 0.00 -1.51 0.00 0.00 37.83 32.87 2joe s LYS 29 CO 0.86 -0.09 0.98 0.08 -0.36 0.00 0.00 175.35 176.81 2joe s VAL 30 N 1.49 4.82 -0.03 4.02 1.01 -1.24 0.06 120.40 130.53 2joe s VAL 30 Ca 0.12 1.99 -0.07 0.00 0.00 0.00 0.00 61.98 64.02 2joe s VAL 30 Cb -0.15 -4.29 -0.02 0.00 0.00 0.00 0.00 36.38 31.92 2joe s VAL 30 CO 0.08 0.04 -0.14 0.18 0.00 0.00 0.00 175.10 175.26 2joe n LEU 31 N 4.80 1.22 -4.27 3.92 4.77 -0.65 -4.67 117.00 122.12 2joe n LEU 31 Ca 0.08 0.19 -0.35 0.00 -0.03 0.00 0.00 56.01 55.89 2joe n LEU 31 Cb 0.49 -0.48 -0.14 0.00 -2.33 0.00 0.00 43.42 40.97 2joe n LEU 31 CO 0.51 -0.52 -0.37 -0.75 -1.33 0.00 0.00 177.39 174.94 2joe s LYS 32 N -2.16 3.06 -0.43 3.23 2.20 -0.83 0.90 119.74 125.71 2joe s LYS 32 Ca -0.11 -0.84 -0.03 0.00 -0.36 0.00 0.00 55.97 54.63 2joe s LYS 32 Cb 0.02 -3.09 0.12 0.00 -1.51 0.00 0.00 37.83 33.36 2joe s LYS 32 CO 0.17 -0.35 0.23 -1.14 -0.36 0.00 0.00 175.35 173.89 2joe s GLN 33 N 1.41 2.05 -0.61 4.03 0.74 0.79 0.21 119.66 128.28 2joe s GLN 33 Ca 0.02 -1.91 -0.24 0.00 0.05 0.00 0.00 55.36 53.28 2joe s GLN 33 Cb -0.16 -3.59 0.05 0.00 1.10 0.00 0.00 33.01 30.41 2joe s GLN 33 CO -0.02 -1.08 1.01 -1.54 -0.55 0.00 0.00 175.29 173.10 2joe s SER 34 N 1.66 6.28 -0.65 6.67 1.04 -0.63 -0.02 113.70 128.04 2joe s SER 34 Ca 0.09 -0.51 -0.16 0.00 0.48 0.00 0.00 55.95 55.85 2joe s SER 34 Cb -0.22 -2.45 0.14 0.00 0.10 0.00 0.00 66.02 63.59 2joe s SER 34 CO -0.04 -1.38 0.66 -0.44 0.98 0.00 0.00 173.24 173.02 2joe s SER 35 N 3.19 6.35 -0.42 7.02 0.01 0.14 -0.23 113.70 129.76 2joe s SER 35 Ca 0.29 -1.93 -0.16 0.00 1.31 0.00 0.00 55.95 55.47 2joe s SER 35 Cb -0.13 -2.25 0.03 0.00 0.21 0.00 0.00 66.02 63.89 2joe s SER 35 CO 0.17 -0.87 0.35 -1.61 0.41 0.00 0.00 173.24 171.69 2joe s GLU 36 N 1.60 3.00 -0.36 12.44 2.02 -0.87 -1.69 118.70 134.84 2joe s GLU 36 Ca 0.11 -1.01 -0.14 0.00 0.02 0.00 0.00 54.97 53.95 2joe s GLU 36 Cb -0.22 -4.00 -0.01 0.00 0.10 0.00 0.00 34.13 30.00 2joe s GLU 36 CO 0.00 -0.83 0.27 0.99 0.02 0.00 0.00 175.26 175.71 2joe s THR 37 N 1.80 5.27 -0.34 3.63 2.01 -0.18 -1.26 115.64 126.57 2joe s THR 37 Ca 0.07 -0.30 -0.11 0.00 0.31 0.00 0.00 61.69 61.65 2joe s THR 37 Cb -0.19 -3.78 -0.01 0.00 0.01 0.00 0.00 72.50 68.53 2joe s THR 37 CO 0.10 -0.09 0.21 -0.75 -0.69 0.00 0.00 174.62 173.40 2joe s LYS 38 N 1.75 3.33 -0.13 4.92 2.20 0.56 0.18 119.74 132.55 2joe s LYS 38 Ca 0.06 -0.74 0.01 0.00 -0.36 0.00 0.00 55.97 54.94 2joe s LYS 38 Cb -0.18 -3.71 -0.01 0.00 -1.51 0.00 0.00 37.83 32.42 2joe s LYS 38 CO 0.11 -0.48 -0.15 0.42 -0.36 0.00 0.00 175.35 174.89 2joe s ILE 39 N 1.66 2.86 0.52 5.43 1.09 -0.35 -0.58 121.20 131.83 2joe s ILE 39 Ca 0.05 -0.73 -0.13 0.00 -1.10 0.00 0.00 60.65 58.74 2joe s ILE 39 Cb -0.18 -2.19 -0.06 0.00 -1.06 0.00 0.00 42.46 38.97 2joe s ILE 39 CO 0.08 0.53 0.94 -1.10 -0.10 0.00 0.00 174.94 175.29 2joe s GLN 40 N 0.40 3.79 0.49 2.79 1.11 -1.26 -0.01 119.66 126.96 2joe s GLN 40 Ca -0.12 0.74 0.14 0.00 0.01 0.00 0.00 55.36 56.14 2joe s GLN 40 Cb -0.16 -2.19 1.14 0.00 -1.01 0.00 0.00 33.01 30.79 2joe s GLN 40 CO 0.06 -0.30 2.09 0.74 0.01 0.00 0.00 175.29 177.89 2joe h PHE 41 N 0.61 0.07 0.00 0.91 0.04 -1.89 -0.80 116.94 115.88 2joe h PHE 41 Ca -0.46 -0.00 -0.07 0.00 2.80 0.00 0.00 57.97 60.24 2joe h PHE 41 Cb 1.19 -0.02 -0.01 0.00 2.20 0.00 0.00 35.95 39.31 2joe h PHE 41 CO 0.63 0.09 -0.34 0.00 -0.60 0.00 0.00 178.31 178.09 2joe h ALA 42 N 1.91 1.19 0.21 2.45 0.00 -1.88 0.91 119.26 124.04 2joe h ALA 42 Ca 0.02 -0.31 -0.33 0.00 0.00 0.00 0.00 54.91 54.28 2joe h ALA 42 Cb 0.08 -0.06 0.02 0.00 0.00 0.00 0.00 17.79 17.84 2joe h ALA 42 CO 0.00 0.43 -1.54 0.77 0.00 0.00 0.00 179.25 178.91 2joe h SER 43 N 0.00 0.69 0.74 0.00 0.02 -1.53 -3.34 113.55 110.13 2joe h SER 43 Ca -0.00 -0.83 -0.26 0.00 -0.84 0.00 0.00 61.79 59.86 2joe h SER 43 Cb 0.72 -0.23 -0.01 0.00 0.14 0.00 0.00 62.40 63.02 2joe h SER 43 CO 0.04 1.67 -1.21 -0.29 -1.14 0.00 0.00 176.83 175.90 2joe h ILE 44 N 0.12 1.51 0.00 3.27 2.10 -1.37 -3.48 117.51 119.66 2joe h ILE 44 Ca -0.27 -3.15 0.00 0.00 1.08 0.00 0.00 64.86 62.52 2joe h ILE 44 Cb 2.12 2.86 0.00 0.00 -1.09 0.00 0.00 36.82 40.71 2joe h ILE 44 CO 0.23 0.90 0.00 0.61 -1.08 0.00 0.00 178.15 178.81 2joe n GLY 45 N 1.48 0.77 3.73 8.18 0.00 0.30 -5.06 105.19 114.60 2joe n GLY 45 Ca -0.07 -0.25 -0.39 0.00 0.00 0.00 0.00 46.02 45.31 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 -2.00 3.39 -0.68 4.61 0.00 -1.11 -4.95 121.76 121.02 2joe s ALA 46 Ca 0.00 0.09 0.24 0.00 0.00 0.00 0.00 51.96 52.30 2joe s ALA 46 Cb 0.00 -2.88 0.37 0.00 0.00 0.00 0.00 23.12 20.61 2joe s ALA 46 CO 0.00 -0.01 1.34 -2.37 0.00 0.00 0.00 175.76 174.71 2joe n THR 47 N 3.42 0.31 -4.08 0.00 5.66 -1.26 -4.77 114.28 113.57 2joe n THR 47 Ca -0.03 -0.24 -0.08 0.00 -3.05 0.00 0.00 64.05 60.64 2joe n THR 47 Cb 0.51 -0.10 -0.10 0.00 -1.55 0.00 0.00 70.33 69.10 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 -3.15 0.17 -0.29 1.09 -4.23 -1.26 -5.02 115.64 102.95 2joe s THR 48 Ca 0.07 -1.77 0.26 0.00 -1.18 0.00 0.00 61.69 59.07 2joe s THR 48 Cb 0.14 -1.68 0.35 0.00 1.34 0.00 0.00 72.50 72.65 2joe s THR 48 CO 0.72 -0.77 1.73 0.07 -0.54 0.00 0.00 174.62 175.82 2joe h LYS 49 N 3.00 0.00 -0.09 3.99 2.10 -1.93 -1.08 116.57 122.57 2joe h LYS 49 Ca -0.34 0.00 -0.01 0.00 -2.00 0.00 0.00 60.65 58.29 2joe h LYS 49 Cb 1.17 0.00 -0.00 0.00 -0.90 0.00 0.00 32.23 32.49 2joe h LYS 49 CO 0.62 0.00 0.00 0.93 -2.00 0.00 0.00 179.45 179.00 2joe h GLU 50 N 0.00 0.15 0.00 0.07 3.07 -1.99 -0.53 114.58 115.35 2joe h GLU 50 Ca 0.00 -0.05 -0.07 0.00 -0.50 0.00 0.00 59.36 58.74 2joe h GLU 50 Cb 0.84 -0.01 -0.01 0.00 -0.84 0.00 0.00 28.75 28.72 2joe h GLU 50 CO 0.00 0.41 -0.32 -0.44 -1.40 0.00 0.00 179.01 177.26 2joe h ASP 51 N -0.12 0.00 -0.13 1.42 5.19 -1.94 -1.54 116.42 119.29 2joe h ASP 51 Ca 0.03 0.00 -0.00 0.00 -0.62 0.00 0.00 57.03 56.43 2joe h ASP 51 Cb 0.34 0.00 -0.01 0.00 0.18 0.00 0.00 39.33 39.84 2joe h ASP 51 CO 0.00 0.32 0.06 0.00 -3.12 0.00 0.00 179.24 176.51 2joe h ALA 52 N 1.68 0.17 -0.22 3.45 0.00 -0.98 -0.56 119.26 122.80 2joe h ALA 52 Ca -0.00 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.83 2joe h ALA 52 Cb 0.88 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.60 2joe h ALA 52 CO 0.04 -0.27 0.14 0.00 0.00 0.00 0.00 179.25 179.16 2joe h ALA 53 N 0.93 0.27 -0.87 0.00 0.00 -0.94 0.31 119.26 118.97 2joe h ALA 53 Ca 0.05 -0.01 0.25 0.00 0.00 0.00 0.00 54.91 55.19 2joe h ALA 53 Cb 0.12 -0.08 -0.04 0.00 0.00 0.00 0.00 17.79 17.79 2joe h ALA 53 CO -0.01 -0.25 0.62 -0.22 0.00 0.00 0.00 179.25 179.39 2joe h LYS 54 N 0.29 0.03 0.09 0.00 3.64 -1.06 0.26 116.57 119.82 2joe h LYS 54 Ca 0.08 -0.00 -0.36 0.00 -1.27 0.00 0.00 60.65 59.10 2joe h LYS 54 Cb -0.03 -0.01 -0.03 0.00 -0.41 0.00 0.00 32.23 31.75 2joe h LYS 54 CO -0.02 0.02 -2.02 2.41 -2.27 0.00 0.00 179.45 177.57 2joe n THR 55 N -4.30 1.70 0.08 1.00 -1.04 -0.24 -4.61 114.28 106.88 2joe n THR 55 Ca 0.18 -0.57 -0.22 0.00 -2.04 0.00 0.00 64.05 61.40 2joe n THR 55 Cb 0.92 -1.72 -0.15 0.00 -1.82 0.00 0.00 70.33 67.56 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 -0.09 0.61 -0.38 -4.42 3.38 0.28 -3.39 115.31 111.31 2joe h LEU 56 Ca -0.45 -0.87 0.08 0.00 0.09 0.00 0.00 57.88 56.73 2joe h LEU 56 Cb 1.92 -0.20 -0.09 0.00 0.09 0.00 0.00 40.66 42.39 2joe h LEU 56 CO 0.01 1.73 -0.26 -0.33 0.09 0.00 0.00 178.44 179.68 2joe h GLU 57 N 0.11 -0.19 0.00 1.13 5.08 -0.71 0.20 114.58 120.20 2joe h GLU 57 Ca -0.32 0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.05 2joe h GLU 57 Cb 2.10 0.04 0.00 0.00 0.50 0.00 0.00 28.75 31.39 2joe h GLU 57 CO 0.19 -0.13 0.00 -1.00 -1.00 0.00 0.00 179.01 177.07 2joe h PRO 58 N -0.20 0.00 0.05 2.33 0.13 -1.79 0.29 132.00 132.81 2joe h PRO 58 Ca 0.18 0.00 -0.28 0.00 -0.87 0.00 0.00 66.00 65.03 2joe h PRO 58 Cb 0.48 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 31.59 2joe h PRO 58 CO -0.49 0.00 -1.50 -0.07 -0.23 0.00 0.00 178.00 175.71 2joe h LEU 59 N 0.00 0.15 -1.33 1.56 4.07 -0.89 -3.35 115.31 115.52 2joe h LEU 59 Ca 0.00 -0.66 -0.05 0.00 0.08 0.00 0.00 57.88 57.24 2joe h LEU 59 Cb 0.05 -0.05 -0.01 0.00 1.08 0.00 0.00 40.66 41.73 2joe h LEU 59 CO 0.00 1.62 -0.13 0.28 -1.08 0.00 0.00 178.44 179.13 2joe h SER 60 N -0.63 0.28 0.23 -0.43 0.02 -0.44 -2.13 113.55 110.44 2joe h SER 60 Ca -0.37 -0.06 0.00 0.00 -0.84 0.00 0.00 61.79 60.52 2joe h SER 60 Cb 1.56 -0.07 0.00 0.00 0.14 0.00 0.00 62.40 64.02 2joe h SER 60 CO -0.11 0.44 0.00 0.00 -1.14 0.00 0.00 176.83 176.02 2joe n ALA 61 N -2.49 1.88 0.16 3.77 0.00 0.96 -1.48 120.51 123.32 2joe n ALA 61 Ca -0.00 -0.08 0.02 0.00 0.00 0.00 0.00 53.44 53.38 2joe n ALA 61 Cb 0.28 -1.24 0.24 0.00 0.00 0.00 0.00 19.45 18.73 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 0.01 0.00 1.57 -1.51 -2.66 116.57 113.98 2joe h LYS 62 Ca 0.00 0.00 -0.25 0.00 -1.87 0.00 0.00 60.65 58.53 2joe h LYS 62 Cb 0.11 0.00 0.01 0.00 0.08 0.00 0.00 32.23 32.44 2joe h LYS 62 CO 0.00 0.50 -1.01 1.88 -0.57 0.00 0.00 179.45 180.25 2joe h TYR 63 N 0.00 0.82 0.00 -1.35 0.05 -1.44 -3.45 116.97 111.60 2joe h TYR 63 Ca -0.01 -0.45 0.00 0.00 0.05 0.00 0.00 58.73 58.32 2joe h TYR 63 Cb 1.01 -0.09 0.00 0.00 1.01 0.00 0.00 36.73 38.66 2joe h TYR 63 CO 0.00 1.28 0.00 1.17 -1.05 0.00 0.00 178.16 179.56 2joe n LYS 64 N -3.79 0.00 -1.65 4.88 4.81 -1.00 -2.15 118.16 119.27 2joe n LYS 64 Ca -0.09 0.00 -0.01 0.00 -0.87 0.00 0.00 58.31 57.34 2joe n LYS 64 Cb 0.87 0.00 0.03 0.00 0.02 0.00 0.00 35.03 35.95 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 3.87 -0.54 -0.32 3.14 4.05 -1.26 -4.79 115.26 119.40 2joe n ASN 65 Ca 0.00 -1.31 0.18 0.00 0.45 0.00 0.00 54.58 53.90 2joe n ASN 65 Cb 0.00 0.24 0.43 0.00 1.23 0.00 0.00 39.78 41.68 2joe n ASN 65 CO 0.00 0.00 0.00 0.40 -3.05 0.00 0.00 177.26 174.61 2joe h ILE 66 N 1.69 0.60 0.00 -1.44 2.04 -1.71 -3.45 117.51 115.25 2joe h ILE 66 Ca -0.19 -0.19 0.00 0.00 1.00 0.00 0.00 64.86 65.48 2joe h ILE 66 Cb 1.05 0.01 0.00 0.00 -0.74 0.00 0.00 36.82 37.15 2joe h ILE 66 CO -0.09 0.10 0.00 0.00 0.00 0.00 0.00 178.15 178.16 2joe n ALA 67 N -2.41 0.00 0.79 1.87 0.00 -1.26 -4.80 120.51 114.70 2joe n ALA 67 Ca 0.24 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.68 2joe n ALA 67 Cb 0.73 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.18 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 1.58 3.49 0.00 0.00 -1.26 -4.76 105.19 104.25 2joe n GLY 68 Ca 0.00 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.59 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 0.21 4.28 0.01 1.61 -7.23 -1.22 -3.59 120.40 114.46 2joe s VAL 69 Ca 0.00 0.01 -0.14 0.00 -1.81 0.00 0.00 61.98 60.04 2joe s VAL 69 Cb 0.00 -4.65 -0.06 0.00 0.56 0.00 0.00 36.38 32.23 2joe s VAL 69 CO 0.00 -1.36 0.40 -1.61 -0.31 0.00 0.00 175.10 172.22 2joe s GLU 70 N 4.23 3.88 -0.49 4.82 2.02 -0.15 -4.44 118.70 128.57 2joe s GLU 70 Ca 0.27 0.36 0.02 0.00 0.02 0.00 0.00 54.97 55.64 2joe s GLU 70 Cb -0.14 -3.18 0.13 0.00 0.10 0.00 0.00 34.13 31.04 2joe s GLU 70 CO 0.15 0.67 0.24 -1.83 0.02 0.00 0.00 175.26 174.51 2joe s GLU 71 N -1.21 1.99 -0.62 1.61 4.04 -1.26 -1.31 118.70 121.94 2joe s GLU 71 Ca 0.25 -2.33 -0.15 0.00 0.04 0.00 0.00 54.97 52.78 2joe s GLU 71 Cb -0.16 -3.42 0.16 0.00 0.02 0.00 0.00 34.13 30.73 2joe s GLU 71 CO 0.14 -1.08 0.57 0.21 -1.84 0.00 0.00 175.26 173.26 2joe s LYS 72 N 0.22 3.15 -0.44 -4.83 2.20 0.93 -4.96 119.74 116.00 2joe s LYS 72 Ca 0.14 -1.94 -0.24 0.00 -0.36 0.00 0.00 55.97 53.57 2joe s LYS 72 Cb -0.23 -4.32 0.02 0.00 -1.51 0.00 0.00 37.83 31.80 2joe s LYS 72 CO -0.03 -1.31 0.85 -0.51 -0.36 0.00 0.00 175.35 173.99 2joe s LEU 73 N 1.15 4.12 -0.41 5.43 1.43 -1.26 -0.57 118.68 128.57 2joe s LEU 73 Ca 0.08 0.06 -0.14 0.00 -1.03 0.00 0.00 54.13 53.10 2joe s LEU 73 Cb -0.24 -3.09 0.03 0.00 0.03 0.00 0.00 46.19 42.93 2joe s LEU 73 CO -0.01 -0.96 0.28 0.42 0.23 0.00 0.00 176.35 176.32 2joe s THR 74 N 3.49 5.00 -0.50 5.49 -4.23 -0.14 -4.98 115.64 119.78 2joe s THR 74 Ca 0.34 -0.81 -0.19 0.00 -1.18 0.00 0.00 61.69 59.84 2joe s THR 74 Cb -0.11 -3.83 0.06 0.00 1.34 0.00 0.00 72.50 69.95 2joe s THR 74 CO 0.24 -0.34 0.63 -0.31 -0.54 0.00 0.00 174.62 174.30 2joe s TYR 75 N 1.62 3.05 0.05 3.99 2.02 -1.26 -1.31 117.35 125.50 2joe s TYR 75 Ca 0.04 -0.51 0.04 0.00 -0.37 0.00 0.00 57.07 56.27 2joe s TYR 75 Cb -0.20 -3.53 -0.04 0.00 -0.40 0.00 0.00 41.96 37.79 2joe s TYR 75 CO 0.08 -1.03 -0.05 0.99 -1.57 0.00 0.00 175.55 173.97 2joe s THR 76 N 2.65 3.75 -1.21 -0.71 2.01 -0.11 -5.00 115.64 117.02 2joe s THR 76 Ca 0.15 -0.91 0.09 0.00 0.31 0.00 0.00 61.69 61.34 2joe s THR 76 Cb -0.19 -2.70 0.11 0.00 0.01 0.00 0.00 72.50 69.73 2joe s THR 76 CO 0.12 0.26 1.22 0.47 -0.69 0.00 0.00 174.62 176.01 2joe n ASP 77 N 1.11 0.00 -0.08 3.53 9.92 -1.26 -1.65 116.55 128.12 2joe n ASP 77 Ca -0.14 0.33 -0.08 0.00 -0.53 0.00 0.00 54.79 54.38 2joe n ASP 77 Cb 0.52 -0.39 -0.12 0.00 -0.64 0.00 0.00 41.12 40.49 2joe n ASP 77 CO 0.00 0.00 0.00 0.41 0.13 0.00 0.00 177.20 177.74 2joe n THR 78 N -1.39 1.08 -3.52 -3.53 -1.04 -1.26 -4.96 114.28 99.66 2joe n THR 78 Ca 0.03 -0.66 -0.16 0.00 -2.04 0.00 0.00 64.05 61.23 2joe n THR 78 Cb 0.09 -0.60 -0.05 0.00 -1.82 0.00 0.00 70.33 67.95 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 -2.38 -0.58 -0.23 -1.42 -0.85 -0.66 -3.58 117.35 107.65 2joe s TYR 79 Ca -0.08 0.91 -0.02 0.00 -0.52 0.00 0.00 57.07 57.35 2joe s TYR 79 Cb 0.05 0.44 0.01 0.00 0.38 0.00 0.00 41.96 42.84 2joe s TYR 79 CO 0.64 -0.59 -0.07 0.00 -1.52 0.00 0.00 175.55 174.02 2joe s ALA 80 N -1.56 2.71 -0.25 9.51 0.00 0.98 -0.93 121.76 132.22 2joe s ALA 80 Ca -0.07 -1.32 -0.08 0.00 0.00 0.00 0.00 51.96 50.49 2joe s ALA 80 Cb -0.00 -1.65 -0.03 0.00 0.00 0.00 0.00 23.12 21.43 2joe s ALA 80 CO 0.05 -0.62 0.09 -1.14 0.00 0.00 0.00 175.76 174.15 2joe s GLN 81 N 1.39 3.71 -0.90 0.00 0.74 -0.43 -1.20 119.66 122.96 2joe s GLN 81 Ca 0.03 -0.45 -0.20 0.00 0.05 0.00 0.00 55.36 54.79 2joe s GLN 81 Cb -0.15 -3.39 0.10 0.00 1.10 0.00 0.00 33.01 30.67 2joe s GLN 81 CO -0.05 -0.19 1.17 -2.00 -0.55 0.00 0.00 175.29 173.67 2joe s GLU 82 N 1.64 3.51 -0.63 1.67 2.12 0.13 -0.96 118.70 126.18 2joe s GLU 82 Ca 0.06 -1.47 -0.27 0.00 0.36 0.00 0.00 54.97 53.65 2joe s GLU 82 Cb -0.15 -4.88 0.03 0.00 0.26 0.00 0.00 34.13 29.39 2joe s GLU 82 CO 0.05 -1.87 1.18 1.21 -0.54 0.00 0.00 175.26 175.29 2joe s ASN 83 N 3.90 6.34 -0.13 -1.70 3.84 0.26 -1.01 114.94 126.44 2joe s ASN 83 Ca 0.34 -0.16 -0.03 0.00 0.21 0.00 0.00 52.86 53.22 2joe s ASN 83 Cb -0.06 -2.54 -0.03 0.00 -0.55 0.00 0.00 41.25 38.08 2joe s ASN 83 CO -0.06 -1.56 -0.03 -0.69 -2.79 0.00 0.00 177.10 171.97 2joe s VAL 84 N 5.03 4.02 -0.36 -5.21 1.01 -0.68 -0.05 120.40 124.16 2joe s VAL 84 Ca 0.38 -0.33 -0.07 0.00 0.00 0.00 0.00 61.98 61.97 2joe s VAL 84 Cb -0.09 -2.74 0.05 0.00 0.00 0.00 0.00 36.38 33.61 2joe s VAL 84 CO 0.21 0.53 0.15 -0.89 0.00 0.00 0.00 175.10 175.09 2joe s THR 85 N -0.06 3.83 -0.56 3.92 2.01 -0.43 0.28 115.64 124.63 2joe s THR 85 Ca 0.02 -1.27 -0.16 0.00 0.31 0.00 0.00 61.69 60.59 2joe s THR 85 Cb -0.13 -3.25 0.13 0.00 0.01 0.00 0.00 72.50 69.27 2joe s THR 85 CO 0.02 -0.29 0.52 -0.63 -0.69 0.00 0.00 174.62 173.55 2joe s ILE 86 N 1.38 5.22 -0.41 1.82 1.01 0.97 -0.97 121.20 130.21 2joe s ILE 86 Ca 0.00 -1.53 -0.19 0.00 0.00 0.00 0.00 60.65 58.93 2joe s ILE 86 Cb -0.21 -4.35 0.02 0.00 0.01 0.00 0.00 42.46 37.93 2joe s ILE 86 CO 0.02 -0.89 0.56 -0.62 0.00 0.00 0.00 174.94 174.02 2joe s ASP 87 N 3.53 6.29 0.00 3.58 2.15 -1.24 -0.15 116.67 130.84 2joe s ASP 87 Ca 0.04 -0.33 0.10 0.00 0.43 0.00 0.00 52.55 52.79 2joe s ASP 87 Cb -0.29 -2.29 0.58 0.00 -0.30 0.00 0.00 42.92 40.63 2joe s ASP 87 CO 0.03 -0.66 1.37 0.23 -0.17 0.00 0.00 175.17 175.97 2joe n MET 88 N 5.98 1.02 -0.05 4.34 2.81 0.26 -3.22 117.12 128.26 2joe n MET 88 Ca -0.04 -0.03 0.11 0.00 -1.81 0.00 0.00 57.70 55.93 2joe n MET 88 Cb 0.48 -1.16 0.12 0.00 -0.71 0.00 0.00 33.22 31.95 2joe n MET 88 CO 0.00 0.00 0.00 -0.85 1.51 0.00 0.00 175.97 176.63 2joe n GLU 89 N -0.63 2.12 0.00 0.03 -0.00 -1.26 -4.29 120.64 116.61 2joe n GLU 89 Ca 0.07 -1.90 0.00 0.00 -0.00 0.00 0.00 57.16 55.33 2joe n GLU 89 Cb 0.04 -1.43 0.00 0.00 -0.00 0.00 0.00 31.44 30.05 2joe n GLU 89 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.13 178.30 2joe n LYS 90 N 1.26 0.00 -2.15 3.44 4.81 -1.20 -5.09 118.16 119.23 2joe n LYS 90 Ca 0.14 -0.12 -0.36 0.00 -0.87 0.00 0.00 58.31 57.10 2joe n LYS 90 Cb 0.55 -0.40 0.01 0.00 0.02 0.00 0.00 35.03 35.21 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 2.91 -0.34 3.15 -7.23 -1.21 -4.63 120.40 113.04 2joe s VAL 91 Ca 0.00 0.60 -0.00 0.00 -1.81 0.00 0.00 61.98 60.76 2joe s VAL 91 Cb 0.00 -3.26 0.08 0.00 0.56 0.00 0.00 36.38 33.76 2joe s VAL 91 CO 0.00 -0.09 0.07 -0.62 -0.31 0.00 0.00 175.10 174.15 2joe s ASP 92 N -1.57 4.94 0.59 4.85 2.15 -1.26 -4.97 116.67 121.39 2joe s ASP 92 Ca 0.72 -1.74 0.38 0.00 0.43 0.00 0.00 52.55 52.34 2joe s ASP 92 Cb -0.28 -1.72 1.76 0.00 -0.30 0.00 0.00 42.92 42.38 2joe s ASP 92 CO 0.32 -0.37 2.12 -0.26 -0.17 0.00 0.00 175.17 176.81 2joe h PHE 93 N 7.90 0.00 -0.54 -5.34 0.04 -1.95 -2.13 116.94 114.92 2joe h PHE 93 Ca -0.14 0.00 -0.01 0.00 2.80 0.00 0.00 57.97 60.61 2joe h PHE 93 Cb 1.05 0.00 -0.03 0.00 2.20 0.00 0.00 35.95 39.17 2joe h PHE 93 CO 0.56 0.00 0.29 -0.22 -0.60 0.00 0.00 178.31 178.34 2joe h LYS 94 N 0.00 0.75 0.00 1.51 3.64 -1.97 -0.85 116.57 119.66 2joe h LYS 94 Ca 0.00 -0.08 -0.16 0.00 -1.27 0.00 0.00 60.65 59.14 2joe h LYS 94 Cb 0.31 -0.15 -0.03 0.00 -0.41 0.00 0.00 32.23 31.95 2joe h LYS 94 CO 0.00 0.56 -1.45 0.00 -2.27 0.00 0.00 179.45 176.30 2joe n ALA 95 N -2.45 1.96 0.10 5.00 0.00 -0.86 -4.12 120.51 120.14 2joe n ALA 95 Ca 0.05 -0.55 0.00 0.00 0.00 0.00 0.00 53.44 52.94 2joe n ALA 95 Cb 0.11 -0.94 0.31 0.00 0.00 0.00 0.00 19.45 18.93 2joe n ALA 95 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 2joe h LEU 96 N 0.00 0.24 -1.83 0.00 6.46 -0.77 -1.24 115.31 118.18 2joe h LEU 96 Ca -0.17 -0.07 -0.03 0.00 -0.12 0.00 0.00 57.88 57.50 2joe h LEU 96 Cb 1.57 -0.07 -0.00 0.00 -0.73 0.00 0.00 40.66 41.43 2joe h LEU 96 CO 0.04 0.50 -0.13 0.06 -0.62 0.00 0.00 178.44 178.30 2joe h GLN 97 N 0.22 0.00 0.00 1.25 3.07 -1.33 0.25 115.11 118.57 2joe h GLN 97 Ca 0.04 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.78 2joe h GLN 97 Cb 0.57 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.13 2joe h GLN 97 CO 0.04 0.13 0.00 0.78 0.09 0.00 0.00 178.83 179.87 2joe h GLY 98 N 1.01 0.00 0.00 0.06 0.00 -1.41 -3.28 103.07 99.44 2joe h GLY 98 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 2joe h GLY 98 CO 0.02 0.00 0.00 1.39 0.00 0.00 0.00 176.54 177.95 2joe n ILE 99 N -2.97 0.00 -0.00 2.60 5.41 -0.27 -4.90 119.36 119.23 2joe n ILE 99 Ca 0.04 0.18 -0.00 0.00 1.00 0.00 0.00 62.75 63.96 2joe n ILE 99 Cb 0.47 -0.73 -0.00 0.00 -0.71 0.00 0.00 39.64 38.67 2joe n ILE 99 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 176.55 176.31 2joe n SER 100 N -1.28 4.60 0.00 4.38 2.88 -0.66 -4.99 113.62 118.55 2joe n SER 100 Ca 0.00 -0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 2joe n SER 100 Cb 0.00 0.32 0.00 0.00 -0.75 0.00 0.00 64.21 63.78 2joe n SER 100 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2joe n GLY 101 N 3.17 0.19 2.84 0.46 0.00 -0.08 -3.60 105.19 108.16 2joe n GLY 101 Ca -0.00 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 45.96 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 -2.16-10.95 0.91 -0.61 5.41 -1.26 -4.23 119.36 106.48 2joe n ILE 102 Ca 0.00 1.24 0.00 0.00 1.00 0.00 0.00 62.75 64.99 2joe n ILE 102 Cb 0.22 -6.89 0.00 0.00 -0.71 0.00 0.00 39.64 32.26 2joe n ILE 102 CO 0.00 0.00 0.00 -3.20 0.00 0.00 0.00 176.55 173.35 2joe n ASN 103 N 0.15 2.63 -0.11 4.38 2.85 -1.24 -1.80 115.26 122.13 2joe n ASN 103 Ca 0.06 -1.82 -0.14 0.00 -0.11 0.00 0.00 54.58 52.57 2joe n ASN 103 Cb 0.29 -0.46 -0.12 0.00 1.24 0.00 0.00 39.78 40.73 2joe n ASN 103 CO 0.00 0.00 0.00 0.52 -2.11 0.00 0.00 177.26 175.67 2joe n VAL 104 N 0.52 1.32 -3.15 3.44 0.31 -1.26 -4.97 118.33 114.53 2joe n VAL 104 Ca 0.00 -0.61 0.06 0.00 -0.01 0.00 0.00 64.34 63.78 2joe n VAL 104 Cb 0.44 -1.05 -0.01 0.00 -0.91 0.00 0.00 33.84 32.30 2joe n VAL 104 CO 0.00 0.00 0.00 -0.94 -1.32 0.00 0.00 176.83 174.57 2joe s SER 105 N -5.94 -0.33 0.51 4.52 1.04 -0.75 -5.02 113.70 107.73 2joe s SER 105 Ca -0.24 0.18 0.24 0.00 0.48 0.00 0.00 55.95 56.61 2joe s SER 105 Cb 0.07 1.27 1.38 0.00 0.10 0.00 0.00 66.02 68.84 2joe s SER 105 CO 0.62 -0.06 2.08 0.00 0.98 0.00 0.00 173.24 176.85 2joe h ALA 106 N 7.88 1.44 -0.98 5.32 0.00 -1.73 -1.74 119.26 129.44 2joe h ALA 106 Ca -0.12 -0.11 0.18 0.00 0.00 0.00 0.00 54.91 54.86 2joe h ALA 106 Cb 1.18 -0.02 -0.09 0.00 0.00 0.00 0.00 17.79 18.85 2joe h ALA 106 CO -0.14 0.15 0.61 1.49 0.00 0.00 0.00 179.25 181.36 2joe h GLU 107 N 0.00 0.70 -0.21 0.00 4.57 -1.90 -2.64 114.58 115.10 2joe h GLU 107 Ca -0.00 -0.04 -0.08 0.00 -1.18 0.00 0.00 59.36 58.06 2joe h GLU 107 Cb 0.28 -0.16 -0.00 0.00 -0.16 0.00 0.00 28.75 28.71 2joe h GLU 107 CO 0.02 0.46 -0.19 0.22 -1.18 0.00 0.00 179.01 178.34 2joe h ASP 108 N 0.72 0.52 -0.10 1.04 3.58 -1.69 -2.89 116.42 117.60 2joe h ASP 108 Ca 0.53 -0.47 -0.07 0.00 0.42 0.00 0.00 57.03 57.45 2joe h ASP 108 Cb 0.89 -0.15 -0.02 0.00 1.72 0.00 0.00 39.33 41.77 2joe h ASP 108 CO -0.30 0.88 -0.14 0.00 -2.88 0.00 0.00 179.24 176.80 2joe h ALA 109 N 0.66 1.26 0.00 -0.78 0.00 -1.59 -2.10 119.26 116.71 2joe h ALA 109 Ca 0.04 -0.27 0.00 0.00 0.00 0.00 0.00 54.91 54.67 2joe h ALA 109 Cb 0.72 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.39 2joe h ALA 109 CO 0.05 0.49 0.00 0.87 0.00 0.00 0.00 179.25 180.65 2joe h LYS 110 N 0.42 0.00 0.00 0.00 1.57 -1.37 -3.15 116.57 114.04 2joe h LYS 110 Ca 0.08 0.00 -0.34 0.00 -1.87 0.00 0.00 60.65 58.52 2joe h LYS 110 Cb 0.50 0.00 -0.06 0.00 0.08 0.00 0.00 32.23 32.75 2joe h LYS 110 CO 0.03 0.00 -2.10 1.63 -0.57 0.00 0.00 179.45 178.44 2joe n LYS 111 N -2.32 0.67 0.00 3.15 5.02 -0.98 -5.08 118.16 118.61 2joe n LYS 111 Ca 0.05 0.13 0.00 0.00 -2.02 0.00 0.00 58.31 56.47 2joe n LYS 111 Cb 0.39 -1.64 0.00 0.00 -0.02 0.00 0.00 35.03 33.76 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 1.70 2.29 3.66 0.72 0.00 -0.83 -5.03 105.19 107.70 2joe n GLY 112 Ca -0.27 -1.15 -0.42 0.00 0.00 0.00 0.00 46.02 44.17 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 3.52 0.41 -0.61 -1.09 -1.26 -4.94 121.20 117.24 2joe s ILE 113 Ca 0.00 0.63 0.05 0.00 -2.23 0.00 0.00 60.65 59.10 2joe s ILE 113 Cb 0.00 -3.43 -0.06 0.00 -1.58 0.00 0.00 42.46 37.39 2joe s ILE 113 CO 0.00 -0.08 0.03 0.42 -1.23 0.00 0.00 174.94 174.08 2joe s THR 114 N 4.32 1.57 0.14 2.92 -4.23 -1.26 -3.70 115.64 115.40 2joe s THR 114 Ca 0.75 -2.00 -0.12 0.00 -1.18 0.00 0.00 61.69 59.15 2joe s THR 114 Cb -0.33 -2.74 -0.02 0.00 1.34 0.00 0.00 72.50 70.74 2joe s THR 114 CO 0.31 0.00 1.51 -0.03 -0.54 0.00 0.00 174.62 175.87 2joe h MET 115 N 1.75 0.91 -0.65 3.99 4.05 -1.52 -0.63 114.93 122.83 2joe h MET 115 Ca -0.43 -0.41 0.11 0.00 -0.28 0.00 0.00 59.70 58.69 2joe h MET 115 Cb 1.26 -0.02 -0.08 0.00 -0.80 0.00 0.00 31.60 31.96 2joe h MET 115 CO 0.76 1.07 0.23 0.00 0.23 0.00 0.00 176.91 179.20 2joe h ALA 116 N 0.82 0.85 0.56 0.39 0.00 -1.97 0.21 119.26 120.12 2joe h ALA 116 Ca 0.09 0.10 -0.03 0.00 0.00 0.00 0.00 54.91 55.07 2joe h ALA 116 Cb 0.81 0.08 0.01 0.00 0.00 0.00 0.00 17.79 18.69 2joe h ALA 116 CO 0.07 -0.21 -0.27 1.96 0.00 0.00 0.00 179.25 180.80 2joe h GLN 117 N 0.40 -0.72 -0.89 0.00 4.20 -1.92 -2.79 115.11 113.39 2joe h GLN 117 Ca 0.34 0.05 0.26 0.00 0.06 0.00 0.00 58.65 59.36 2joe h GLN 117 Cb 0.46 0.16 -0.04 0.00 0.30 0.00 0.00 27.48 28.37 2joe h GLN 117 CO -0.35 -0.48 0.72 0.52 -0.67 0.00 0.00 178.83 178.57 2joe h MET 118 N -0.87 0.00 0.41 1.46 2.86 -0.82 0.42 114.93 118.40 2joe h MET 118 Ca -0.08 0.00 -0.02 0.00 -2.06 0.00 0.00 59.70 57.54 2joe h MET 118 Cb 0.58 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.24 2joe h MET 118 CO 0.13 0.00 -0.20 0.93 1.06 0.00 0.00 176.91 178.83 2joe h GLU 119 N 0.00 -0.54 -0.01 1.72 4.39 -0.54 -2.35 114.58 117.26 2joe h GLU 119 Ca 0.42 0.04 -0.10 0.00 0.34 0.00 0.00 59.36 60.06 2joe h GLU 119 Cb 1.86 0.12 -0.01 0.00 -0.10 0.00 0.00 28.75 30.62 2joe h GLU 119 CO -0.00 -0.36 -0.47 -0.07 -1.16 0.00 0.00 179.01 176.95 2joe h LEU 120 N -0.85 0.02 0.13 1.33 4.07 -1.02 -2.61 115.31 116.38 2joe h LEU 120 Ca -0.06 -0.01 -0.21 0.00 0.08 0.00 0.00 57.88 57.69 2joe h LEU 120 Cb 0.43 -0.01 0.02 0.00 1.08 0.00 0.00 40.66 42.18 2joe h LEU 120 CO 0.09 0.48 -0.88 0.58 -1.08 0.00 0.00 178.44 177.64 2joe h VAL 121 N 0.01 1.46 -0.07 1.22 2.07 -0.33 -0.69 116.25 119.93 2joe h VAL 121 Ca -0.00 -2.47 -0.14 0.00 0.82 0.00 0.00 66.70 64.90 2joe h VAL 121 Cb 0.83 3.05 -0.01 0.00 -1.52 0.00 0.00 31.29 33.64 2joe h VAL 121 CO 0.06 0.71 -0.60 0.24 0.02 0.00 0.00 177.57 178.00 2joe h MET 122 N -0.23 0.22 0.00 1.57 2.86 -1.46 -1.17 114.93 116.73 2joe h MET 122 Ca -0.15 -0.15 -0.04 0.00 -2.06 0.00 0.00 59.70 57.30 2joe h MET 122 Cb 1.67 0.02 -0.01 0.00 0.06 0.00 0.00 31.60 33.34 2joe h MET 122 CO 0.17 0.76 -0.17 0.87 1.06 0.00 0.00 176.91 179.59 2joe h LYS 123 N 0.17 0.00 -0.15 1.72 1.57 -1.52 -1.59 116.57 116.77 2joe h LYS 123 Ca -0.01 0.00 -0.23 0.00 -1.87 0.00 0.00 60.65 58.55 2joe h LYS 123 Cb 1.10 0.00 0.01 0.00 0.08 0.00 0.00 32.23 33.42 2joe h LYS 123 CO 0.09 0.17 -0.79 0.00 -0.57 0.00 0.00 179.45 178.35 2joe h ALA 124 N 1.83 0.30 0.00 3.86 0.00 -0.41 -3.13 119.26 121.71 2joe h ALA 124 Ca -0.00 -0.60 -0.09 0.00 0.00 0.00 0.00 54.91 54.22 2joe h ALA 124 Cb 0.82 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.59 2joe h ALA 124 CO 0.02 0.68 -0.41 0.00 0.00 0.00 0.00 179.25 179.55 2joe h ALA 125 N 0.55 1.01 -0.12 0.00 0.00 -1.11 -3.47 119.26 116.11 2joe h ALA 125 Ca -0.06 -0.37 0.00 0.00 0.00 0.00 0.00 54.91 54.48 2joe h ALA 125 Cb 1.42 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 19.15 2joe h ALA 125 CO 0.16 0.51 0.00 0.41 0.00 0.00 0.00 179.25 180.33 2joe n GLY 126 N 0.21 1.07 3.81 0.00 0.00 -0.67 -5.06 105.19 104.54 2joe n GLY 126 Ca -0.00 -0.47 -0.33 0.00 0.00 0.00 0.00 46.02 45.22 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 -2.12 3.12 -0.39 1.61 0.08 -0.74 -5.01 117.98 114.52 2joe s PHE 127 Ca 0.00 1.54 -0.20 0.00 0.12 0.00 0.00 56.93 58.39 2joe s PHE 127 Cb 0.00 -2.97 0.01 0.00 -0.57 0.00 0.00 43.02 39.49 2joe s PHE 127 CO 0.00 -0.74 0.60 0.21 -0.10 0.00 0.00 175.22 175.19 2joe s LYS 128 N -3.63 3.47 0.24 0.44 2.20 -1.26 -4.84 119.74 116.36 2joe s LYS 128 Ca 0.64 -0.22 -0.30 0.00 -0.36 0.00 0.00 55.97 55.73 2joe s LYS 128 Cb -0.14 -3.88 -0.09 0.00 -1.51 0.00 0.00 37.83 32.21 2joe s LYS 128 CO 0.26 -0.84 1.26 -1.21 -0.36 0.00 0.00 175.35 174.46 2joe s GLU 129 N 2.65 4.44 -0.56 4.03 2.02 -1.26 -1.26 118.70 128.76 2joe s GLU 129 Ca 0.22 2.02 0.04 0.00 0.02 0.00 0.00 54.97 57.27 2joe s GLU 129 Cb -0.15 -3.17 0.16 0.00 0.10 0.00 0.00 34.13 31.07 2joe s GLU 129 CO 0.16 -0.13 0.38 0.08 0.02 0.00 0.00 175.26 175.77 2joe s VAL 130 N -0.45 1.92 -0.05 2.63 1.01 0.20 -4.86 120.40 120.79 2joe s VAL 130 Ca 0.52 -3.40 -0.30 0.00 0.00 0.00 0.00 61.98 58.80 2joe s VAL 130 Cb -0.36 -2.29 -0.05 0.00 0.00 0.00 0.00 36.38 33.68 2joe s VAL 130 CO 0.42 -1.01 1.57 -0.54 0.00 0.00 0.00 175.10 175.53 2joe s LYS 131 N -0.57 4.20 -0.58 2.72 1.02 -1.25 -3.77 119.74 121.51 2joe s LYS 131 Ca 0.24 2.10 -0.27 0.00 0.02 0.00 0.00 55.97 58.06 2joe s LYS 131 Cb -0.09 -3.87 -0.01 0.00 -0.52 0.00 0.00 37.83 33.34 2joe s LYS 131 CO -0.12 -0.78 1.67 -0.51 -0.92 0.00 0.00 175.35 174.69 2joe s LEU 132 N 3.64 3.33 -0.00 3.17 1.02 -1.26 -4.78 118.68 123.79 2joe s LEU 132 Ca 0.70 0.34 0.23 0.00 0.02 0.00 0.00 54.13 55.41 2joe s LEU 132 Cb -0.32 -2.78 0.66 0.00 0.02 0.00 0.00 46.19 43.77 2joe s LEU 132 CO 0.27 -2.07 1.55 -0.62 0.02 0.00 0.00 176.35 175.51 2joe n GLU 133 N 8.99 2.76 -4.67 1.70 1.02 -1.26 -4.91 120.64 124.26 2joe n GLU 133 Ca 0.16 -2.69 -0.25 0.00 -0.02 0.00 0.00 57.16 54.36 2joe n GLU 133 Cb 0.50 -1.59 -0.14 0.00 -0.02 0.00 0.00 31.44 30.19 2joe n GLU 133 CO 0.00 0.00 0.00 -1.01 1.18 0.00 0.00 177.13 177.30 2joe s HIS 134 N -1.03 1.79 0.21 -0.32 3.76 -1.26 -5.15 115.29 113.28 2joe s HIS 134 Ca 0.50 -0.37 0.04 0.00 -0.15 0.00 0.00 55.06 55.08 2joe s HIS 134 Cb 0.26 -1.07 -0.03 0.00 1.11 0.00 0.00 32.58 32.85 2joe s HIS 134 CO 0.34 0.07 0.32 -1.01 -0.85 0.00 0.00 174.74 173.61 2joe s HIS 135 N -0.76 3.43 -0.77 1.40 3.76 -1.26 -5.01 115.29 116.07 2joe s HIS 135 Ca 0.07 0.02 0.20 0.00 -0.15 0.00 0.00 55.06 55.20 2joe s HIS 135 Cb -0.09 -1.59 -0.23 0.00 1.11 0.00 0.00 32.58 31.78 2joe s HIS 135 CO 0.01 0.47 0.77 0.72 -0.85 0.00 0.00 174.74 175.87 2joe n HIS 136 N -1.07 0.00 -2.58 1.40 8.25 -1.26 -4.89 115.22 115.08 2joe n HIS 136 Ca -0.08 0.00 -0.43 0.00 -0.26 0.00 0.00 57.72 56.95 2joe n HIS 136 Cb 0.56 -0.08 -0.02 0.00 1.12 0.00 0.00 29.99 31.56 2joe n HIS 136 CO 0.00 0.00 0.00 -1.01 0.64 0.00 0.00 176.34 175.97 2joe s HIS 137 N -2.97 3.08 0.21 4.41 3.76 -1.26 -5.00 115.29 117.52 2joe s HIS 137 Ca 0.05 1.19 -0.10 0.00 -0.15 0.00 0.00 55.06 56.05 2joe s HIS 137 Cb 0.15 -3.59 -0.01 0.00 1.11 0.00 0.00 32.58 30.24 2joe s HIS 137 CO 0.82 -0.98 0.36 -3.38 -0.85 0.00 0.00 174.74 170.71 2joe s HIS 138 N 3.62 0.49 0.00 1.40 -0.00 -1.26 -5.25 115.29 114.29 2joe s HIS 138 Ca 0.48 -0.83 0.00 0.00 -0.00 0.00 0.00 55.06 54.71 2joe s HIS 138 Cb -0.15 -0.00 0.00 0.00 -0.00 0.00 0.00 32.58 32.43 2joe s HIS 138 CO 0.14 -0.85 0.18 0.72 -0.00 0.00 0.00 174.74 174.93