#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 3.19 3.88 3.03 0.00 -1.26 -5.02 105.19 109.00 2joe n GLY 2 Ca 0.00 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.71 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 -0.51 6.61 0.00 1.61 -4.77 -1.26 -4.99 116.67 113.36 2joe s ASP 3 Ca 0.00 0.95 0.00 0.00 -3.30 0.00 0.00 52.55 50.20 2joe s ASP 3 Cb 0.00 -2.24 0.00 0.00 -1.09 0.00 0.00 42.92 39.59 2joe s ASP 3 CO 0.00 -0.13 0.00 0.29 0.70 0.00 0.00 175.17 176.03 2joe n LYS 4 N -0.38 0.00 -4.09 2.11 5.02 -1.26 -5.06 118.16 114.49 2joe n LYS 4 Ca 0.01 0.00 -0.33 0.00 -2.02 0.00 0.00 58.31 55.97 2joe n LYS 4 Cb 0.53 -0.19 -0.16 0.00 -0.02 0.00 0.00 35.03 35.19 2joe n LYS 4 CO 0.00 0.00 0.00 -1.21 -0.52 0.00 0.00 177.40 175.67 2joe s GLU 5 N -1.66 2.92 -0.15 1.97 2.02 -1.26 -4.78 118.70 117.76 2joe s GLU 5 Ca 0.00 -0.88 -0.11 0.00 0.02 0.00 0.00 54.97 54.00 2joe s GLU 5 Cb 0.00 -2.65 -0.05 0.00 0.10 0.00 0.00 34.13 31.53 2joe s GLU 5 CO 0.00 -0.26 0.20 -1.21 0.02 0.00 0.00 175.26 174.02 2joe s GLU 6 N 1.28 3.98 -0.26 1.61 0.41 -0.81 -4.93 118.70 119.99 2joe s GLU 6 Ca 0.03 -0.05 -0.06 0.00 -0.41 0.00 0.00 54.97 54.49 2joe s GLU 6 Cb -0.14 -3.34 -0.00 0.00 -1.78 0.00 0.00 34.13 28.86 2joe s GLU 6 CO -0.11 0.45 0.03 -1.12 -0.49 0.00 0.00 175.26 174.01 2joe s SER 7 N -0.12 4.80 -0.31 -0.19 0.01 -1.26 -1.11 113.70 115.52 2joe s SER 7 Ca 0.14 -0.49 -0.03 0.00 1.31 0.00 0.00 55.95 56.87 2joe s SER 7 Cb -0.12 -1.83 0.04 0.00 0.21 0.00 0.00 66.02 64.32 2joe s SER 7 CO 0.03 -0.09 0.02 -0.54 0.41 0.00 0.00 173.24 173.07 2joe s LYS 8 N 1.51 2.52 -0.53 12.44 1.02 0.26 -3.66 119.74 133.30 2joe s LYS 8 Ca 0.04 -1.22 -0.09 0.00 0.02 0.00 0.00 55.97 54.73 2joe s LYS 8 Cb -0.16 -3.24 0.14 0.00 -0.52 0.00 0.00 37.83 34.05 2joe s LYS 8 CO 0.00 -0.61 0.40 0.21 -0.92 0.00 0.00 175.35 174.43 2joe s LYS 9 N 1.30 2.60 0.02 1.68 2.20 -1.08 -0.31 119.74 126.15 2joe s LYS 9 Ca -0.04 -1.94 -0.11 0.00 -0.36 0.00 0.00 55.97 53.52 2joe s LYS 9 Cb -0.19 -3.95 -0.05 0.00 -1.51 0.00 0.00 37.83 32.12 2joe s LYS 9 CO -0.00 -1.20 0.37 -0.59 -0.36 0.00 0.00 175.35 173.56 2joe s PHE 10 N 1.05 3.65 -0.07 4.03 -0.12 -0.59 0.29 117.98 126.22 2joe s PHE 10 Ca 0.08 0.84 -0.03 0.00 -0.05 0.00 0.00 56.93 57.77 2joe s PHE 10 Cb -0.24 -2.18 0.04 0.00 -0.63 0.00 0.00 43.02 40.01 2joe s PHE 10 CO -0.02 0.60 0.14 0.45 -0.05 0.00 0.00 175.22 176.35 2joe s SER 11 N -1.39 0.52 -0.10 1.98 0.15 0.45 0.25 113.70 115.57 2joe s SER 11 Ca 0.27 0.30 0.02 0.00 0.70 0.00 0.00 55.95 57.23 2joe s SER 11 Cb -0.15 0.21 0.01 0.00 -1.71 0.00 0.00 66.02 64.38 2joe s SER 11 CO 0.14 -0.21 -0.15 0.00 1.20 0.00 0.00 173.24 174.22 2joe s ALA 12 N 1.93 1.61 -0.53 5.45 0.00 -0.49 -4.22 121.76 125.51 2joe s ALA 12 Ca -0.01 -0.67 -0.28 0.00 0.00 0.00 0.00 51.96 51.00 2joe s ALA 12 Cb -0.12 -0.79 0.01 0.00 0.00 0.00 0.00 23.12 22.23 2joe s ALA 12 CO -0.05 -0.05 1.38 1.21 0.00 0.00 0.00 175.76 178.25 2joe s ASN 13 N 0.94 6.21 0.00 0.00 3.84 -1.26 -1.75 114.94 122.93 2joe s ASN 13 Ca -0.08 0.38 0.00 0.00 0.21 0.00 0.00 52.86 53.38 2joe s ASN 13 Cb -0.15 -2.55 0.00 0.00 -0.55 0.00 0.00 41.25 38.00 2joe s ASN 13 CO -0.01 -1.62 0.00 0.18 -2.79 0.00 0.00 177.10 172.87 2joe n LEU 14 N 9.27 0.00 0.45 3.21 4.77 -0.87 -4.97 117.00 128.85 2joe n LEU 14 Ca 0.13 0.00 -0.19 0.00 -0.03 0.00 0.00 56.01 55.92 2joe n LEU 14 Cb 0.49 0.00 -0.09 0.00 -2.33 0.00 0.00 43.42 41.48 2joe n LEU 14 CO 0.71 0.00 0.59 -1.13 -1.33 0.00 0.00 177.39 176.23 2joe h ASN 15 N 0.00 -0.98 0.00 -1.43 -1.24 -2.01 -3.39 115.58 106.54 2joe h ASN 15 Ca 0.00 0.04 0.00 0.00 0.71 0.00 0.00 56.30 57.05 2joe h ASN 15 Cb 0.00 0.26 0.00 0.00 0.73 0.00 0.00 38.32 39.31 2joe h ASN 15 CO 0.00 -0.69 0.00 0.61 -1.29 0.00 0.00 177.43 176.06 2joe n GLY 16 N -1.58 -1.01 2.73 1.57 0.00 -1.26 -5.02 105.19 100.62 2joe n GLY 16 Ca -0.15 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.64 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 -0.18 0.27 -0.30 2.61 2.01 -1.25 -1.23 115.64 117.57 2joe s THR 17 Ca 0.00 0.07 -0.23 0.00 0.31 0.00 0.00 61.69 61.84 2joe s THR 17 Cb 0.00 -0.53 -0.00 0.00 0.01 0.00 0.00 72.50 71.98 2joe s THR 17 CO 0.00 0.14 0.76 -1.61 -0.69 0.00 0.00 174.62 173.22 2joe s GLU 18 N 2.01 3.98 -0.43 4.92 2.02 0.13 -2.05 118.70 129.28 2joe s GLU 18 Ca 0.04 0.57 -0.14 0.00 0.02 0.00 0.00 54.97 55.46 2joe s GLU 18 Cb -0.13 -3.72 0.04 0.00 0.10 0.00 0.00 34.13 30.42 2joe s GLU 18 CO -0.05 -0.64 0.32 0.42 0.02 0.00 0.00 175.26 175.33 2joe s ILE 19 N 2.87 5.12 -0.32 -1.63 1.01 -0.71 -0.21 121.20 127.34 2joe s ILE 19 Ca 0.31 -0.85 -0.03 0.00 0.00 0.00 0.00 60.65 60.08 2joe s ILE 19 Cb -0.14 -3.94 0.05 0.00 0.01 0.00 0.00 42.46 38.44 2joe s ILE 19 CO 0.12 -0.40 0.04 0.00 0.00 0.00 0.00 174.94 174.69 2joe s ALA 20 N 1.64 2.89 -0.34 9.38 0.00 -0.17 -1.40 121.76 133.77 2joe s ALA 20 Ca 0.04 -1.80 -0.07 0.00 0.00 0.00 0.00 51.96 50.13 2joe s ALA 20 Cb -0.21 -2.05 0.03 0.00 0.00 0.00 0.00 23.12 20.89 2joe s ALA 20 CO 0.08 -1.32 0.12 0.42 0.00 0.00 0.00 175.76 175.07 2joe s ILE 21 N 1.29 3.99 -0.70 0.00 1.01 0.14 -0.17 121.20 126.76 2joe s ILE 21 Ca -0.04 -0.97 -0.18 0.00 0.00 0.00 0.00 60.65 59.46 2joe s ILE 21 Cb -0.20 -3.21 0.13 0.00 0.01 0.00 0.00 42.46 39.20 2joe s ILE 21 CO -0.00 -0.13 0.80 -0.89 0.00 0.00 0.00 174.94 174.71 2joe s THR 22 N 1.46 4.95 -0.16 2.92 2.01 0.14 -1.55 115.64 125.42 2joe s THR 22 Ca 0.00 -1.39 -0.06 0.00 0.31 0.00 0.00 61.69 60.55 2joe s THR 22 Cb -0.19 -4.54 -0.04 0.00 0.01 0.00 0.00 72.50 67.74 2joe s THR 22 CO 0.04 -1.18 0.06 -0.72 -0.69 0.00 0.00 174.62 172.12 2joe s TYR 23 N 2.21 3.27 -0.34 4.92 1.13 0.57 -0.67 117.35 128.45 2joe s TYR 23 Ca 0.17 0.14 -0.10 0.00 -1.41 0.00 0.00 57.07 55.87 2joe s TYR 23 Cb -0.18 -2.00 0.01 0.00 -1.10 0.00 0.00 41.96 38.69 2joe s TYR 23 CO 0.00 0.28 0.17 0.08 -2.51 0.00 0.00 175.55 173.58 2joe s VAL 24 N -0.05 4.57 0.18 -3.49 1.01 0.14 -0.57 120.40 122.19 2joe s VAL 24 Ca 0.06 -0.60 0.08 0.00 0.00 0.00 0.00 61.98 61.52 2joe s VAL 24 Cb -0.12 -3.42 -0.04 0.00 0.00 0.00 0.00 36.38 32.80 2joe s VAL 24 CO 0.01 -0.05 -0.05 -0.72 0.00 0.00 0.00 175.10 174.29 2joe s TYR 25 N 1.59 2.73 -0.40 5.22 1.13 -0.27 -1.15 117.35 126.20 2joe s TYR 25 Ca 0.03 -0.18 0.01 0.00 -1.41 0.00 0.00 57.07 55.52 2joe s TYR 25 Cb -0.18 -1.33 0.13 0.00 -1.10 0.00 0.00 41.96 39.49 2joe s TYR 25 CO 0.06 0.52 0.22 0.21 -2.51 0.00 0.00 175.55 174.05 2joe s LYS 26 N -2.89 1.02 6.82 -3.49 2.20 0.11 -1.92 119.74 121.58 2joe s LYS 26 Ca 0.26 -1.74 0.00 0.00 -0.36 0.00 0.00 55.97 54.13 2joe s LYS 26 Cb -0.09 -1.99 0.00 0.00 -1.51 0.00 0.00 37.83 34.24 2joe s LYS 26 CO 0.17 -1.17 0.00 0.41 -0.36 0.00 0.00 175.35 174.40 2joe n GLY 27 N 3.78 1.98 0.00 5.54 0.00 -1.26 -2.89 105.19 112.34 2joe n GLY 27 Ca 0.09 -0.47 0.10 0.00 0.00 0.00 0.00 46.02 45.74 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 8.52 0.81 -4.53 1.61 9.92 -1.26 -4.83 116.55 126.79 2joe n ASP 28 Ca 0.00 -0.80 -0.42 0.00 -0.53 0.00 0.00 54.79 53.04 2joe n ASP 28 Cb 0.00 1.17 -0.08 0.00 -0.64 0.00 0.00 41.12 41.57 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 -3.10 3.41 -0.25 -1.24 2.36 -1.14 -1.41 119.74 118.38 2joe s LYS 29 Ca 0.05 -0.37 -0.29 0.00 -2.55 0.00 0.00 55.97 52.81 2joe s LYS 29 Cb 0.16 -3.88 0.01 0.00 -1.05 0.00 0.00 37.83 33.07 2joe s LYS 29 CO 0.87 -0.77 1.07 0.08 1.55 0.00 0.00 175.35 178.15 2joe s VAL 30 N 2.40 4.61 -0.26 4.02 1.01 -1.26 0.04 120.40 130.96 2joe s VAL 30 Ca 0.17 1.92 0.21 0.00 0.00 0.00 0.00 61.98 64.29 2joe s VAL 30 Cb -0.16 -4.31 -0.30 0.00 0.00 0.00 0.00 36.38 31.61 2joe s VAL 30 CO 0.15 -0.25 0.56 0.18 0.00 0.00 0.00 175.10 175.74 2joe n LEU 31 N 6.48 0.24 -3.70 3.92 4.77 -0.30 -4.76 117.00 123.65 2joe n LEU 31 Ca 0.12 -0.12 -0.14 0.00 -0.03 0.00 0.00 56.01 55.84 2joe n LEU 31 Cb 0.46 0.00 -0.09 0.00 -2.33 0.00 0.00 43.42 41.46 2joe n LEU 31 CO 0.54 0.06 0.16 -0.75 -1.33 0.00 0.00 177.39 176.07 2joe s LYS 32 N -3.33 0.60 0.05 3.23 2.20 -0.76 -1.82 119.74 119.92 2joe s LYS 32 Ca -0.04 0.55 0.05 0.00 -0.36 0.00 0.00 55.97 56.17 2joe s LYS 32 Cb 0.14 0.29 -0.03 0.00 -1.51 0.00 0.00 37.83 36.72 2joe s LYS 32 CO 0.87 -0.09 -0.13 -1.14 -0.36 0.00 0.00 175.35 174.49 2joe s GLN 33 N 0.00 0.82 -0.30 4.03 0.74 0.14 0.25 119.66 125.35 2joe s GLN 33 Ca -0.02 -0.84 -0.03 0.00 0.05 0.00 0.00 55.36 54.51 2joe s GLN 33 Cb -0.03 -0.81 0.11 0.00 1.10 0.00 0.00 33.01 33.37 2joe s GLN 33 CO 0.02 0.19 0.14 -1.12 -0.55 0.00 0.00 175.29 173.97 2joe s SER 34 N -1.45 3.41 -0.64 6.67 0.01 0.15 0.10 113.70 121.95 2joe s SER 34 Ca -0.01 -1.36 -0.17 0.00 1.31 0.00 0.00 55.95 55.72 2joe s SER 34 Cb -0.09 -0.32 0.14 0.00 0.21 0.00 0.00 66.02 65.96 2joe s SER 34 CO 0.02 -0.43 0.66 -0.44 0.41 0.00 0.00 173.24 173.46 2joe s SER 35 N 2.01 6.32 -0.37 2.44 0.01 0.16 0.28 113.70 124.55 2joe s SER 35 Ca 0.10 -1.85 -0.14 0.00 1.31 0.00 0.00 55.95 55.37 2joe s SER 35 Cb -0.17 -2.25 0.00 0.00 0.21 0.00 0.00 66.02 63.81 2joe s SER 35 CO -0.33 -0.91 0.28 -1.61 0.41 0.00 0.00 173.24 171.07 2joe s GLU 36 N 1.79 3.24 -0.24 12.44 2.02 0.77 -1.09 118.70 137.63 2joe s GLU 36 Ca 0.11 -0.81 -0.09 0.00 0.02 0.00 0.00 54.97 54.20 2joe s GLU 36 Cb -0.23 -3.89 -0.04 0.00 0.10 0.00 0.00 34.13 30.07 2joe s GLU 36 CO 0.01 -0.60 0.11 0.95 0.02 0.00 0.00 175.26 175.75 2joe s THR 37 N 1.72 4.79 -0.61 3.63 -4.23 0.10 -1.00 115.64 120.04 2joe s THR 37 Ca 0.06 -0.02 -0.19 0.00 -1.18 0.00 0.00 61.69 60.36 2joe s THR 37 Cb -0.18 -3.23 0.10 0.00 1.34 0.00 0.00 72.50 70.53 2joe s THR 37 CO 0.10 0.34 0.74 -0.75 -0.54 0.00 0.00 174.62 174.51 2joe s LYS 38 N 1.31 3.07 -0.31 3.99 2.20 0.71 -0.21 119.74 130.50 2joe s LYS 38 Ca 0.06 -1.32 -0.15 0.00 -0.36 0.00 0.00 55.97 54.20 2joe s LYS 38 Cb -0.15 -4.29 -0.03 0.00 -1.51 0.00 0.00 37.83 31.86 2joe s LYS 38 CO 0.05 -1.57 0.35 0.42 -0.36 0.00 0.00 175.35 174.25 2joe s ILE 39 N 2.74 5.18 0.37 5.43 1.09 -0.36 -0.70 121.20 134.95 2joe s ILE 39 Ca 0.13 0.27 -0.26 0.00 -1.10 0.00 0.00 60.65 59.69 2joe s ILE 39 Cb -0.23 -3.75 -0.09 0.00 -1.06 0.00 0.00 42.46 37.33 2joe s ILE 39 CO 0.06 0.03 1.10 -1.10 -0.10 0.00 0.00 174.94 174.93 2joe s GLN 40 N 2.03 4.24 0.56 2.79 -1.52 -0.36 -1.57 119.66 125.83 2joe s GLN 40 Ca 0.13 1.69 0.29 0.00 -1.95 0.00 0.00 55.36 55.53 2joe s GLN 40 Cb -0.16 -2.74 1.68 0.00 -0.22 0.00 0.00 33.01 31.57 2joe s GLN 40 CO 0.11 -0.12 2.18 0.74 -0.25 0.00 0.00 175.29 177.95 2joe h PHE 41 N 2.86 0.00 0.00 0.91 -1.00 -1.83 -0.93 116.94 116.95 2joe h PHE 41 Ca -0.48 0.00 -0.05 0.00 2.81 0.00 0.00 57.97 60.25 2joe h PHE 41 Cb 1.22 0.00 -0.01 0.00 3.61 0.00 0.00 35.95 40.77 2joe h PHE 41 CO 0.57 0.05 -0.22 0.00 -1.61 0.00 0.00 178.31 177.11 2joe h ALA 42 N 1.95 1.02 0.00 2.45 0.00 -1.84 0.22 119.26 123.05 2joe h ALA 42 Ca -0.00 -0.20 -0.09 0.00 0.00 0.00 0.00 54.91 54.62 2joe h ALA 42 Cb 0.16 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 17.90 2joe h ALA 42 CO 0.01 0.27 -1.04 1.03 0.00 0.00 0.00 179.25 179.52 2joe h SER 43 N 0.00 0.00 0.12 0.00 0.87 -1.47 -3.34 113.55 109.73 2joe h SER 43 Ca -0.00 0.00 -0.27 0.00 -1.23 0.00 0.00 61.79 60.29 2joe h SER 43 Cb 0.74 0.00 -0.05 0.00 -0.44 0.00 0.00 62.40 62.65 2joe h SER 43 CO 0.03 0.32 -2.15 0.00 -0.53 0.00 0.00 176.83 174.50 2joe n ILE 44 N -2.87 1.10 -1.14 2.23 3.06 -1.13 -5.00 119.36 115.61 2joe n ILE 44 Ca -0.04 -0.76 0.00 0.00 -2.50 0.00 0.00 62.75 59.45 2joe n ILE 44 Cb 0.70 -0.44 0.00 0.00 0.54 0.00 0.00 39.64 40.43 2joe n ILE 44 CO 0.00 0.00 0.00 0.61 -2.50 0.00 0.00 176.55 174.66 2joe n GLY 45 N 1.60 1.08 3.73 4.50 0.00 0.63 -5.06 105.19 111.66 2joe n GLY 45 Ca -0.23 -0.49 -0.37 0.00 0.00 0.00 0.00 46.02 44.92 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 -2.04 3.53 0.03 4.61 0.00 -0.42 -4.96 121.76 122.52 2joe s ALA 46 Ca 0.00 -0.28 0.10 0.00 0.00 0.00 0.00 51.96 51.78 2joe s ALA 46 Cb 0.00 -2.54 -0.19 0.00 0.00 0.00 0.00 23.12 20.39 2joe s ALA 46 CO 0.00 0.06 1.07 1.79 0.00 0.00 0.00 175.76 178.68 2joe h THR 47 N 4.65 1.32 -2.57 0.00 1.35 -1.95 -3.43 112.91 112.28 2joe h THR 47 Ca -0.42 -3.03 -0.05 0.00 -0.55 0.00 0.00 66.41 62.36 2joe h THR 47 Cb 1.18 2.64 -0.01 0.00 -1.73 0.00 0.00 68.15 70.23 2joe h THR 47 CO 0.75 0.75 0.05 1.07 -0.25 0.00 0.00 175.52 177.89 2joe n THR 48 N -3.22 0.00 0.29 6.82 5.66 -1.26 -5.03 114.28 117.54 2joe n THR 48 Ca -0.06 -0.53 0.16 0.00 -3.05 0.00 0.00 64.05 60.58 2joe n THR 48 Cb 0.95 0.43 0.87 0.00 -1.55 0.00 0.00 70.33 71.03 2joe n THR 48 CO 0.00 0.00 0.00 0.07 -3.05 0.00 0.00 175.07 172.09 2joe h LYS 49 N 0.00 0.00 0.75 1.09 2.10 -1.94 -2.81 116.57 115.76 2joe h LYS 49 Ca -0.13 0.00 -0.04 0.00 -2.00 0.00 0.00 60.65 58.48 2joe h LYS 49 Cb 0.51 0.00 0.01 0.00 -0.90 0.00 0.00 32.23 31.85 2joe h LYS 49 CO 0.17 0.06 -0.36 1.49 -2.00 0.00 0.00 179.45 178.81 2joe h GLU 50 N 0.00 -0.97 -0.65 0.07 4.81 -1.99 0.46 114.58 116.30 2joe h GLU 50 Ca -0.00 0.07 0.02 0.00 -0.13 0.00 0.00 59.36 59.31 2joe h GLU 50 Cb 0.25 0.22 -0.03 0.00 0.63 0.00 0.00 28.75 29.81 2joe h GLU 50 CO 0.01 -0.64 0.43 -0.44 -0.73 0.00 0.00 179.01 177.64 2joe h ASP 51 N -1.02 0.72 -0.04 1.04 3.32 -1.91 0.16 116.42 118.69 2joe h ASP 51 Ca -0.10 -0.01 0.00 0.00 0.02 0.00 0.00 57.03 56.94 2joe h ASP 51 Cb 0.78 -0.17 -0.00 0.00 0.22 0.00 0.00 39.33 40.15 2joe h ASP 51 CO 0.17 0.51 0.01 0.00 -1.72 0.00 0.00 179.24 178.21 2joe h ALA 52 N 1.60 0.04 0.34 3.45 0.00 -1.28 -2.02 119.26 121.40 2joe h ALA 52 Ca 0.25 0.01 -0.02 0.00 0.00 0.00 0.00 54.91 55.15 2joe h ALA 52 Cb -0.03 0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.77 2joe h ALA 52 CO -0.06 -0.47 -0.16 0.00 0.00 0.00 0.00 179.25 178.55 2joe h ALA 53 N 1.03 -0.45 -1.02 0.00 0.00 -0.01 0.31 119.26 119.11 2joe h ALA 53 Ca 0.02 -0.14 0.28 0.00 0.00 0.00 0.00 54.91 55.07 2joe h ALA 53 Cb 0.01 0.18 -0.06 0.00 0.00 0.00 0.00 17.79 17.92 2joe h ALA 53 CO -0.02 -0.69 0.71 0.87 0.00 0.00 0.00 179.25 180.12 2joe h LYS 54 N -0.59 0.14 0.00 0.00 1.57 -0.63 0.18 116.57 117.25 2joe h LYS 54 Ca -0.05 -0.01 -0.41 0.00 -1.87 0.00 0.00 60.65 58.32 2joe h LYS 54 Cb 0.43 -0.03 -0.07 0.00 0.08 0.00 0.00 32.23 32.64 2joe h LYS 54 CO 0.08 0.09 -2.47 2.41 -0.57 0.00 0.00 179.45 178.99 2joe n THR 55 N -4.35 1.51 0.55 -0.16 -1.04 -0.77 -4.61 114.28 105.42 2joe n THR 55 Ca 0.22 -0.51 0.12 0.00 -2.04 0.00 0.00 64.05 61.84 2joe n THR 55 Cb 1.00 -1.57 0.15 0.00 -1.82 0.00 0.00 70.33 68.09 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 -0.29 0.00 0.49 -4.42 3.38 0.02 -3.30 115.31 111.19 2joe h LEU 56 Ca -0.61 -0.23 -0.02 0.00 0.09 0.00 0.00 57.88 57.11 2joe h LEU 56 Cb 1.82 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.57 2joe h LEU 56 CO -0.18 0.11 -0.24 -0.33 0.09 0.00 0.00 178.44 177.89 2joe h GLU 57 N 0.00 -0.64 -0.41 1.13 4.39 -0.80 -1.25 114.58 117.01 2joe h GLU 57 Ca 0.00 0.04 0.12 0.00 0.34 0.00 0.00 59.36 59.86 2joe h GLU 57 Cb 0.75 0.15 -0.02 0.00 -0.10 0.00 0.00 28.75 29.53 2joe h GLU 57 CO 0.00 -0.37 0.34 -1.35 -1.16 0.00 0.00 179.01 176.47 2joe h PRO 58 N -0.79 0.00 0.59 2.33 0.11 -1.78 0.40 132.00 132.86 2joe h PRO 58 Ca -0.07 0.00 -0.03 0.00 0.11 0.00 0.00 66.00 66.01 2joe h PRO 58 Cb 0.57 0.00 0.01 0.00 0.11 0.00 0.00 31.00 31.68 2joe h PRO 58 CO 0.11 0.00 -0.28 1.25 -0.21 0.00 0.00 178.00 178.87 2joe h LEU 59 N 0.00 -0.67 -0.20 2.35 5.85 -1.52 -3.25 115.31 117.87 2joe h LEU 59 Ca 0.19 -0.03 0.00 0.00 0.84 0.00 0.00 57.88 58.89 2joe h LEU 59 Cb 0.88 0.17 0.00 0.00 0.37 0.00 0.00 40.66 42.08 2joe h LEU 59 CO -0.00 -0.30 0.00 0.77 -0.34 0.00 0.00 178.44 178.57 2joe h SER 60 N -1.10 0.00 0.00 1.25 4.64 -0.98 -3.22 113.55 114.13 2joe h SER 60 Ca -0.08 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.24 2joe h SER 60 Cb 0.66 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.75 2joe h SER 60 CO 0.13 0.00 0.00 0.00 -0.87 0.00 0.00 176.83 176.09 2joe n ALA 61 N -1.94 1.85 0.14 5.18 0.00 0.11 -1.69 120.51 124.16 2joe n ALA 61 Ca 0.04 -0.05 0.02 0.00 0.00 0.00 0.00 53.44 53.46 2joe n ALA 61 Cb 0.44 -1.12 0.06 0.00 0.00 0.00 0.00 19.45 18.84 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 -0.72 0.00 1.57 -1.71 -3.28 116.57 112.42 2joe h LYS 62 Ca 0.00 0.00 -0.10 0.00 -1.87 0.00 0.00 60.65 58.68 2joe h LYS 62 Cb 0.00 0.00 -0.06 0.00 0.08 0.00 0.00 32.23 32.25 2joe h LYS 62 CO 0.00 0.54 0.12 0.66 -0.57 0.00 0.00 179.45 180.20 2joe n TYR 63 N -3.29 1.96 -1.61 -1.35 4.02 -0.68 -4.90 117.16 111.31 2joe n TYR 63 Ca 0.01 -0.84 -0.15 0.00 -0.01 0.00 0.00 57.90 56.92 2joe n TYR 63 Cb 0.72 -0.54 -0.10 0.00 -0.02 0.00 0.00 39.34 39.40 2joe n TYR 63 CO 0.00 0.00 0.00 -1.59 -1.01 0.00 0.00 176.86 174.26 2joe s LYS 64 N -2.56 1.34 -1.01 -0.72 0.00 -1.24 -3.69 119.74 111.86 2joe s LYS 64 Ca 0.47 -0.13 -0.15 0.00 0.00 0.00 0.00 55.97 56.16 2joe s LYS 64 Cb 0.37 -4.92 0.00 0.00 0.00 0.00 0.00 37.83 33.28 2joe s LYS 64 CO 0.13 -5.12 0.71 -1.71 0.00 0.00 0.00 175.35 169.36 2joe n ASN 65 N 19.26 -5.36 0.03 0.03 5.15 -1.26 -4.89 115.26 128.22 2joe n ASN 65 Ca 0.43 -0.92 -0.05 0.00 -0.60 0.00 0.00 54.58 53.44 2joe n ASN 65 Cb 0.46 -2.89 -0.10 0.00 -0.53 0.00 0.00 39.78 36.71 2joe n ASN 65 CO 0.00 0.00 0.00 0.40 1.40 0.00 0.00 177.26 179.06 2joe h ILE 66 N -1.26 1.06 0.00 -1.44 2.04 -1.85 -3.50 117.51 112.57 2joe h ILE 66 Ca -0.57 -2.74 0.00 0.00 1.00 0.00 0.00 64.86 62.55 2joe h ILE 66 Cb 1.33 2.48 0.00 0.00 -0.74 0.00 0.00 36.82 39.89 2joe h ILE 66 CO 0.43 0.60 0.00 0.00 0.00 0.00 0.00 178.15 179.18 2joe n ALA 67 N -2.42 0.00 -0.68 1.87 0.00 -1.26 -4.82 120.51 113.20 2joe n ALA 67 Ca -0.08 0.00 -0.06 0.00 0.00 0.00 0.00 53.44 53.30 2joe n ALA 67 Cb 0.94 0.00 -0.09 0.00 0.00 0.00 0.00 19.45 20.30 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 2.52 3.57 0.00 0.00 -1.26 -4.84 105.19 105.18 2joe n GLY 68 Ca 0.00 -0.61 -0.35 0.00 0.00 0.00 0.00 46.02 45.06 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 0.86 4.58 -0.31 1.61 -7.23 -1.24 -3.10 120.40 115.56 2joe s VAL 69 Ca 0.34 -0.10 -0.04 0.00 -1.81 0.00 0.00 61.98 60.37 2joe s VAL 69 Cb 0.16 -3.08 0.04 0.00 0.56 0.00 0.00 36.38 34.06 2joe s VAL 69 CO 0.00 0.43 0.04 -1.61 -0.31 0.00 0.00 175.10 173.65 2joe s GLU 70 N 0.73 2.54 -0.81 4.82 2.02 -0.00 -4.39 118.70 123.61 2joe s GLU 70 Ca 0.03 -1.21 -0.19 0.00 0.02 0.00 0.00 54.97 53.62 2joe s GLU 70 Cb -0.13 -3.29 0.12 0.00 0.10 0.00 0.00 34.13 30.92 2joe s GLU 70 CO 0.02 -0.63 1.01 -1.83 0.02 0.00 0.00 175.26 173.85 2joe s GLU 71 N 1.32 3.40 -0.51 1.61 4.04 -1.26 -0.26 118.70 127.04 2joe s GLU 71 Ca -0.03 -1.51 -0.04 0.00 0.04 0.00 0.00 54.97 53.42 2joe s GLU 71 Cb -0.19 -4.63 0.13 0.00 0.02 0.00 0.00 34.13 29.46 2joe s GLU 71 CO 0.01 -1.72 0.33 0.21 -1.84 0.00 0.00 175.26 172.24 2joe s LYS 72 N 2.88 2.33 -0.54 -4.83 2.20 -0.84 -4.99 119.74 115.95 2joe s LYS 72 Ca 0.26 -2.09 -0.25 0.00 -0.36 0.00 0.00 55.97 53.53 2joe s LYS 72 Cb -0.11 -3.72 0.04 0.00 -1.51 0.00 0.00 37.83 32.53 2joe s LYS 72 CO -0.02 -1.14 0.99 -0.51 -0.36 0.00 0.00 175.35 174.31 2joe s LEU 73 N 0.72 3.95 -0.30 5.43 1.43 -1.26 -0.79 118.68 127.86 2joe s LEU 73 Ca 0.11 -0.18 -0.11 0.00 -1.03 0.00 0.00 54.13 52.93 2joe s LEU 73 Cb -0.22 -2.96 -0.03 0.00 0.03 0.00 0.00 46.19 43.01 2joe s LEU 73 CO -0.03 -1.25 0.18 0.42 0.23 0.00 0.00 176.35 175.90 2joe s THR 74 N 4.12 5.01 -0.47 5.49 -4.23 0.02 -4.96 115.64 120.62 2joe s THR 74 Ca 0.34 -0.13 -0.26 0.00 -1.18 0.00 0.00 61.69 60.47 2joe s THR 74 Cb -0.11 -3.48 0.03 0.00 1.34 0.00 0.00 72.50 70.28 2joe s THR 74 CO 0.22 0.14 0.94 -0.31 -0.54 0.00 0.00 174.62 175.07 2joe s TYR 75 N 1.70 2.91 -0.04 3.99 2.02 -1.26 -1.16 117.35 125.51 2joe s TYR 75 Ca 0.06 0.40 -0.01 0.00 -0.37 0.00 0.00 57.07 57.15 2joe s TYR 75 Cb -0.17 -4.02 -0.00 0.00 -0.40 0.00 0.00 41.96 37.38 2joe s TYR 75 CO 0.09 -1.12 -0.02 1.15 -1.57 0.00 0.00 175.55 174.08 2joe h THR 76 N 6.10 0.00 0.00 -0.71 2.02 -1.86 -3.50 112.91 114.96 2joe h THR 76 Ca -0.24 -0.37 0.00 0.00 0.77 0.00 0.00 66.41 66.57 2joe h THR 76 Cb 1.07 0.00 0.00 0.00 -1.74 0.00 0.00 68.15 67.48 2joe h THR 76 CO 1.04 0.00 0.00 -0.67 0.37 0.00 0.00 175.52 176.26 2joe n ASP 77 N -3.06 0.00 0.04 4.18 2.03 -1.26 -4.94 116.55 113.53 2joe n ASP 77 Ca -0.01 0.00 0.11 0.00 0.52 0.00 0.00 54.79 55.42 2joe n ASP 77 Cb 0.02 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.43 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 0.23 -4.03 5.18 -1.04 -1.26 -4.82 114.28 108.54 2joe n THR 78 Ca 0.00 -0.32 -0.10 0.00 -2.04 0.00 0.00 64.05 61.59 2joe n THR 78 Cb 0.00 0.09 -0.06 0.00 -1.82 0.00 0.00 70.33 68.54 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 -3.26 0.51 -0.10 -1.42 -0.85 -1.26 -2.70 117.35 108.27 2joe s TYR 79 Ca 0.02 -0.85 0.03 0.00 -0.52 0.00 0.00 57.07 55.75 2joe s TYR 79 Cb 0.14 0.09 -0.01 0.00 0.38 0.00 0.00 41.96 42.56 2joe s TYR 79 CO 0.81 -0.98 -0.21 0.00 -1.52 0.00 0.00 175.55 173.65 2joe s ALA 80 N -3.92 2.30 -0.42 9.51 0.00 -0.61 -2.37 121.76 126.25 2joe s ALA 80 Ca 0.25 -0.95 -0.14 0.00 0.00 0.00 0.00 51.96 51.11 2joe s ALA 80 Cb 0.00 -0.91 0.04 0.00 0.00 0.00 0.00 23.12 22.25 2joe s ALA 80 CO 0.10 0.29 0.32 -1.14 0.00 0.00 0.00 175.76 175.33 2joe s GLN 81 N 0.28 2.94 -1.00 0.00 -0.44 -0.31 -1.22 119.66 119.91 2joe s GLN 81 Ca -0.15 -1.14 -0.16 0.00 -2.50 0.00 0.00 55.36 51.40 2joe s GLN 81 Cb -0.17 -3.99 0.16 0.00 -1.64 0.00 0.00 33.01 27.38 2joe s GLN 81 CO 0.08 -0.83 1.16 -2.00 0.50 0.00 0.00 175.29 174.19 2joe s GLU 82 N 1.64 3.77 -0.86 1.67 2.12 0.70 -0.80 118.70 126.95 2joe s GLU 82 Ca 0.04 -2.16 -0.25 0.00 0.36 0.00 0.00 54.97 52.96 2joe s GLU 82 Cb -0.21 -4.87 0.04 0.00 0.26 0.00 0.00 34.13 29.35 2joe s GLU 82 CO 0.08 -1.68 1.34 -0.80 -0.54 0.00 0.00 175.26 173.67 2joe s ASN 83 N 3.08 6.31 -0.44 -1.70 -0.87 0.03 -0.72 114.94 120.64 2joe s ASN 83 Ca 0.33 -0.92 -0.16 0.00 -1.57 0.00 0.00 52.86 50.54 2joe s ASN 83 Cb -0.05 -2.56 0.04 0.00 -0.02 0.00 0.00 41.25 38.66 2joe s ASN 83 CO -0.07 -1.68 0.40 -0.69 -2.57 0.00 0.00 177.10 172.49 2joe s VAL 84 N 5.32 5.17 -0.66 1.60 1.01 -0.25 -1.98 120.40 130.61 2joe s VAL 84 Ca 0.39 -0.67 -0.20 0.00 0.00 0.00 0.00 61.98 61.50 2joe s VAL 84 Cb -0.05 -4.05 0.10 0.00 0.00 0.00 0.00 36.38 32.38 2joe s VAL 84 CO 0.04 -0.47 0.84 -0.89 0.00 0.00 0.00 175.10 174.62 2joe s THR 85 N 1.89 4.66 -0.39 3.92 2.01 0.64 0.36 115.64 128.73 2joe s THR 85 Ca 0.08 -0.89 -0.19 0.00 0.31 0.00 0.00 61.69 61.00 2joe s THR 85 Cb -0.20 -4.59 0.01 0.00 0.01 0.00 0.00 72.50 67.73 2joe s THR 85 CO 0.10 -1.28 0.55 -0.63 -0.69 0.00 0.00 174.62 172.67 2joe s ILE 86 N 3.08 4.96 0.87 1.82 1.01 0.12 -0.82 121.20 132.24 2joe s ILE 86 Ca 0.18 0.18 -0.11 0.00 0.00 0.00 0.00 60.65 60.89 2joe s ILE 86 Cb -0.19 -4.06 0.11 0.00 0.01 0.00 0.00 42.46 38.33 2joe s ILE 86 CO 0.05 -0.37 1.09 -0.62 0.00 0.00 0.00 174.94 175.10 2joe s ASP 87 N 1.84 3.67 -0.02 3.58 2.15 -1.18 0.23 116.67 126.95 2joe s ASP 87 Ca 0.19 1.69 0.03 0.00 0.43 0.00 0.00 52.55 54.89 2joe s ASP 87 Cb -0.15 -2.35 0.04 0.00 -0.30 0.00 0.00 42.92 40.16 2joe s ASP 87 CO 0.15 -2.55 0.97 0.23 -0.17 0.00 0.00 175.17 173.80 2joe n MET 88 N -3.84 0.25 -0.03 4.34 2.81 -0.76 -4.64 117.12 115.25 2joe n MET 88 Ca 0.08 -1.18 -0.04 0.00 -1.81 0.00 0.00 57.70 54.75 2joe n MET 88 Cb 0.54 -0.65 -0.03 0.00 -0.71 0.00 0.00 33.22 32.37 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 -0.22 0.15 -0.12 0.03 1.02 -1.24 -4.75 120.64 115.52 2joe n GLU 89 Ca 0.02 0.04 0.04 0.00 -0.02 0.00 0.00 57.16 57.24 2joe n GLU 89 Cb 0.66 -1.09 0.10 0.00 -0.02 0.00 0.00 31.44 31.09 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 -2.71 2.89 -1.86 3.49 4.81 -1.26 -5.04 118.16 118.48 2joe n LYS 90 Ca -0.11 -1.89 -0.30 0.00 -0.87 0.00 0.00 58.31 55.14 2joe n LYS 90 Cb 0.61 -1.20 0.21 0.00 0.02 0.00 0.00 35.03 34.67 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 -1.11 1.95 -0.25 3.15 -7.23 -1.26 -4.61 120.40 111.05 2joe s VAL 91 Ca 0.16 0.00 -0.03 0.00 -1.81 0.00 0.00 61.98 60.30 2joe s VAL 91 Cb 0.09 -2.95 0.08 0.00 0.56 0.00 0.00 36.38 34.16 2joe s VAL 91 CO 0.10 0.00 0.08 -0.62 -0.31 0.00 0.00 175.10 174.35 2joe s ASP 92 N -4.85 3.34 0.50 4.85 2.15 -1.26 -5.02 116.67 116.39 2joe s ASP 92 Ca 0.76 -1.16 0.25 0.00 0.43 0.00 0.00 52.55 52.83 2joe s ASP 92 Cb -0.03 -0.58 1.35 0.00 -0.30 0.00 0.00 42.92 43.35 2joe s ASP 92 CO 0.54 -0.37 2.05 -0.26 -0.17 0.00 0.00 175.17 176.95 2joe h PHE 93 N 8.25 0.00 0.27 -5.34 0.04 -1.97 -2.19 116.94 116.01 2joe h PHE 93 Ca -0.16 0.00 -0.01 0.00 2.80 0.00 0.00 57.97 60.59 2joe h PHE 93 Cb 1.06 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.22 2joe h PHE 93 CO 0.30 0.14 -0.13 0.87 -0.60 0.00 0.00 178.31 178.88 2joe h LYS 94 N 0.00 -0.35 0.00 1.51 1.57 -1.95 0.42 116.57 117.77 2joe h LYS 94 Ca -0.00 0.02 -0.09 0.00 -1.87 0.00 0.00 60.65 58.71 2joe h LYS 94 Cb 0.35 0.08 -0.01 0.00 0.08 0.00 0.00 32.23 32.72 2joe h LYS 94 CO 0.02 -0.20 -0.42 0.00 -0.57 0.00 0.00 179.45 178.28 2joe h ALA 95 N 0.30 1.02 0.00 3.86 0.00 -1.96 -3.00 119.26 119.48 2joe h ALA 95 Ca -0.04 -0.39 0.00 0.00 0.00 0.00 0.00 54.91 54.49 2joe h ALA 95 Cb 0.32 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.04 2joe h ALA 95 CO 0.06 0.53 -0.20 1.28 0.00 0.00 0.00 179.25 180.92 2joe n LEU 96 N -3.62 0.47 -0.26 0.00 4.77 -0.84 -3.99 117.00 113.51 2joe n LEU 96 Ca -0.01 0.39 0.06 0.00 -0.03 0.00 0.00 56.01 56.42 2joe n LEU 96 Cb 0.52 -0.34 0.19 0.00 -2.33 0.00 0.00 43.42 41.46 2joe n LEU 96 CO 0.38 -0.05 1.03 -0.61 -1.33 0.00 0.00 177.39 176.82 2joe h GLN 97 N 0.00 0.47 -0.53 3.23 4.15 -0.77 0.18 115.11 121.84 2joe h GLN 97 Ca 0.00 -0.03 0.00 0.00 0.77 0.00 0.00 58.65 59.39 2joe h GLN 97 Cb 0.62 -0.11 0.00 0.00 0.21 0.00 0.00 27.48 28.21 2joe h GLN 97 CO 0.00 0.31 0.00 0.41 -1.93 0.00 0.00 178.83 177.62 2joe n GLY 98 N -1.32 3.06 0.85 2.39 0.00 -1.26 -4.57 105.19 104.34 2joe n GLY 98 Ca 0.15 -0.85 -0.04 0.00 0.00 0.00 0.00 46.02 45.28 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 0.64 0.79 0.29 -0.61 2.08 0.04 -4.75 119.36 117.85 2joe n ILE 99 Ca 0.24 0.14 0.14 0.00 0.56 0.00 0.00 62.75 63.83 2joe n ILE 99 Cb 0.90 -1.66 0.65 0.00 -0.75 0.00 0.00 39.64 38.78 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 -0.20 0.00 0.00 4.38 0.02 -1.01 -3.45 113.55 113.29 2joe h SER 100 Ca -0.07 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.88 2joe h SER 100 Cb 0.66 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.20 2joe h SER 100 CO -0.04 0.00 0.00 0.61 -1.14 0.00 0.00 176.83 176.26 2joe n GLY 101 N -0.57 2.57 3.56 -3.77 0.00 -1.26 -4.94 105.19 100.78 2joe n GLY 101 Ca 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.73 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 -2.34 3.49 -0.40 -0.61 1.01 -1.26 -4.73 121.20 116.36 2joe s ILE 102 Ca 0.00 -0.37 0.09 0.00 0.00 0.00 0.00 60.65 60.37 2joe s ILE 102 Cb 0.00 -4.11 0.43 0.00 0.01 0.00 0.00 42.46 38.79 2joe s ILE 102 CO 0.00 -1.05 1.06 0.59 0.00 0.00 0.00 174.94 175.55 2joe n ASN 103 N 13.38 3.70 0.11 3.58 5.03 -1.26 -4.70 115.26 135.10 2joe n ASN 103 Ca 0.38 -3.40 0.13 0.00 0.87 0.00 0.00 54.58 52.56 2joe n ASN 103 Cb 0.48 -0.48 0.40 0.00 -1.02 0.00 0.00 39.78 39.15 2joe n ASN 103 CO 0.00 0.00 0.00 -0.37 -1.83 0.00 0.00 177.26 175.06 2joe h VAL 104 N 2.73 0.00 -2.78 2.41 -1.51 -2.00 -3.46 116.25 111.64 2joe h VAL 104 Ca 0.18 -0.50 -0.05 0.00 -1.23 0.00 0.00 66.70 65.10 2joe h VAL 104 Cb 1.02 1.49 -0.00 0.00 -2.13 0.00 0.00 31.29 31.66 2joe h VAL 104 CO 0.74 0.00 0.13 -0.24 -1.23 0.00 0.00 177.57 176.96 2joe n SER 105 N -2.31 -1.38 0.02 4.19 2.88 -1.26 -5.03 113.62 110.73 2joe n SER 105 Ca 0.05 -2.08 0.06 0.00 -1.33 0.00 0.00 58.87 55.57 2joe n SER 105 Cb 0.43 2.34 -0.11 0.00 -0.75 0.00 0.00 64.21 66.12 2joe n SER 105 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2joe n ALA 106 N -1.43 2.38 0.70 -1.46 0.00 -1.26 -4.36 120.51 115.08 2joe n ALA 106 Ca -0.11 -0.56 0.12 0.00 0.00 0.00 0.00 53.44 52.90 2joe n ALA 106 Cb 0.39 -0.81 0.19 0.00 0.00 0.00 0.00 19.45 19.21 2joe n ALA 106 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.50 176.65 2joe n GLU 107 N -2.56 0.20 0.15 0.00 0.28 -1.26 -3.98 120.64 113.47 2joe n GLU 107 Ca -0.08 0.05 -0.13 0.00 -0.16 0.00 0.00 57.16 56.84 2joe n GLU 107 Cb 0.70 -1.62 -0.06 0.00 1.43 0.00 0.00 31.44 31.88 2joe n GLU 107 CO 0.00 0.00 0.00 0.38 -0.16 0.00 0.00 177.13 177.35 2joe h ASP 108 N 0.00 -0.53 -0.05 -1.84 3.04 -1.93 0.23 116.42 115.34 2joe h ASP 108 Ca 0.00 0.05 -0.11 0.00 -3.24 0.00 0.00 57.03 53.73 2joe h ASP 108 Cb 0.67 0.19 0.01 0.00 -1.04 0.00 0.00 39.33 39.15 2joe h ASP 108 CO 0.00 -0.30 -0.40 0.00 -2.04 0.00 0.00 179.24 176.50 2joe h ALA 109 N 0.31 0.11 -0.90 4.15 0.00 -1.84 -3.07 119.26 118.02 2joe h ALA 109 Ca 0.00 -0.48 -0.01 0.00 0.00 0.00 0.00 54.91 54.41 2joe h ALA 109 Cb 0.41 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 18.16 2joe h ALA 109 CO -0.05 0.24 0.51 0.87 0.00 0.00 0.00 179.25 180.81 2joe h LYS 110 N -0.15 1.24 0.00 0.00 1.57 -1.65 -2.49 116.57 115.08 2joe h LYS 110 Ca -0.04 -0.14 -0.02 0.00 -1.87 0.00 0.00 60.65 58.59 2joe h LYS 110 Cb 1.08 -0.25 -0.00 0.00 0.08 0.00 0.00 32.23 33.14 2joe h LYS 110 CO 0.08 0.90 -0.39 -0.22 -0.57 0.00 0.00 179.45 179.25 2joe h LYS 111 N 1.25 0.00 0.00 3.15 1.63 -0.66 -3.50 116.57 118.45 2joe h LYS 111 Ca 0.32 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 60.12 2joe h LYS 111 Cb 0.00 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 31.63 2joe h LYS 111 CO -0.05 0.07 0.00 0.41 -3.45 0.00 0.00 179.45 176.43 2joe n GLY 112 N 1.15 1.43 3.66 5.01 0.00 -0.94 -4.98 105.19 110.51 2joe n GLY 112 Ca 0.02 -1.47 -0.43 0.00 0.00 0.00 0.00 46.02 44.15 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 -0.80 4.74 0.39 -0.61 -1.09 -1.25 -4.89 121.20 117.70 2joe s ILE 113 Ca 0.00 1.87 0.08 0.00 -2.23 0.00 0.00 60.65 60.37 2joe s ILE 113 Cb 0.00 -4.24 -0.06 0.00 -1.58 0.00 0.00 42.46 36.57 2joe s ILE 113 CO 0.00 -0.14 0.08 0.42 -1.23 0.00 0.00 174.94 174.07 2joe s THR 114 N 3.03 2.27 0.14 2.92 -4.23 -1.26 -4.22 115.64 114.29 2joe s THR 114 Ca 0.41 -1.88 -0.12 0.00 -1.18 0.00 0.00 61.69 58.93 2joe s THR 114 Cb -0.15 -2.94 -0.05 0.00 1.34 0.00 0.00 72.50 70.70 2joe s THR 114 CO 0.07 -0.05 1.47 -0.03 -0.54 0.00 0.00 174.62 175.54 2joe h MET 115 N 1.65 0.90 -0.89 3.99 4.05 -1.56 -2.91 114.93 120.16 2joe h MET 115 Ca -0.43 -0.47 0.10 0.00 -0.28 0.00 0.00 59.70 58.62 2joe h MET 115 Cb 1.25 0.01 -0.07 0.00 -0.80 0.00 0.00 31.60 32.00 2joe h MET 115 CO 0.73 1.12 0.58 0.00 0.23 0.00 0.00 176.91 179.56 2joe h ALA 116 N 0.77 1.65 0.37 0.39 0.00 -1.94 -2.15 119.26 118.34 2joe h ALA 116 Ca 0.06 -0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.95 2joe h ALA 116 Cb 0.94 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 18.54 2joe h ALA 116 CO 0.09 0.17 -0.20 1.96 0.00 0.00 0.00 179.25 181.27 2joe h GLN 117 N 0.87 -0.50 -0.83 0.00 7.50 -1.93 -2.77 115.11 117.46 2joe h GLN 117 Ca 0.42 0.03 0.20 0.00 0.50 0.00 0.00 58.65 59.80 2joe h GLN 117 Cb 0.43 0.11 -0.14 0.00 0.05 0.00 0.00 27.48 27.93 2joe h GLN 117 CO -0.18 -0.33 0.03 0.52 -1.50 0.00 0.00 178.83 177.37 2joe h MET 118 N -0.52 0.10 0.42 1.46 2.86 -1.31 0.51 114.93 118.44 2joe h MET 118 Ca -0.05 -0.01 -0.01 0.00 -2.06 0.00 0.00 59.70 57.58 2joe h MET 118 Cb 0.41 -0.02 -0.02 0.00 0.06 0.00 0.00 31.60 32.03 2joe h MET 118 CO 0.07 0.06 -0.38 0.93 1.06 0.00 0.00 176.91 178.65 2joe h GLU 119 N 0.10 -0.78 0.00 1.72 4.39 -1.43 0.21 114.58 118.79 2joe h GLU 119 Ca 0.47 0.05 -0.10 0.00 0.34 0.00 0.00 59.36 60.12 2joe h GLU 119 Cb 0.88 0.18 -0.01 0.00 -0.10 0.00 0.00 28.75 29.69 2joe h GLU 119 CO -0.73 -0.52 -0.49 -0.07 -1.16 0.00 0.00 179.01 176.04 2joe h LEU 120 N -0.81 0.00 0.17 1.33 3.38 -0.96 -2.54 115.31 115.89 2joe h LEU 120 Ca -0.04 0.00 -0.26 0.00 0.09 0.00 0.00 57.88 57.67 2joe h LEU 120 Cb 0.71 0.00 0.02 0.00 0.09 0.00 0.00 40.66 41.48 2joe h LEU 120 CO -0.04 0.49 -1.22 0.58 0.09 0.00 0.00 178.44 178.34 2joe h VAL 121 N 0.00 1.29 -0.31 1.22 2.07 0.11 -1.14 116.25 119.49 2joe h VAL 121 Ca -0.00 -2.55 -0.14 0.00 0.82 0.00 0.00 66.70 64.82 2joe h VAL 121 Cb 1.02 3.02 -0.01 0.00 -1.52 0.00 0.00 31.29 33.79 2joe h VAL 121 CO 0.06 0.76 -0.37 0.24 0.02 0.00 0.00 177.57 178.28 2joe h MET 122 N -0.16 0.71 0.00 1.57 2.86 -0.64 -2.52 114.93 116.75 2joe h MET 122 Ca -0.23 -0.35 -0.09 0.00 -2.06 0.00 0.00 59.70 56.97 2joe h MET 122 Cb 1.86 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 33.51 2joe h MET 122 CO 0.17 0.97 -0.41 -0.22 1.06 0.00 0.00 176.91 178.48 2joe h LYS 123 N 0.59 0.00 -0.57 1.72 3.64 -1.53 -0.97 116.57 119.45 2joe h LYS 123 Ca 0.06 0.00 -0.02 0.00 -1.27 0.00 0.00 60.65 59.42 2joe h LYS 123 Cb 0.90 0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 32.69 2joe h LYS 123 CO 0.08 0.41 0.28 0.00 -2.27 0.00 0.00 179.45 177.95 2joe h ALA 124 N 1.59 0.74 -0.07 5.00 0.00 -0.77 -2.40 119.26 123.35 2joe h ALA 124 Ca -0.00 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.78 2joe h ALA 124 Cb 0.84 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 18.41 2joe h ALA 124 CO 0.05 0.29 0.00 0.00 0.00 0.00 0.00 179.25 179.60 2joe n ALA 125 N -2.33 2.56 -3.14 0.00 0.00 -1.10 -4.93 120.51 111.57 2joe n ALA 125 Ca 0.03 -0.45 -0.14 0.00 0.00 0.00 0.00 53.44 52.88 2joe n ALA 125 Cb 0.12 -1.16 0.06 0.00 0.00 0.00 0.00 19.45 18.47 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 1.14 -0.14 3.85 0.00 0.00 -0.90 -5.00 105.19 104.13 2joe n GLY 126 Ca 0.18 -0.04 -0.31 0.00 0.00 0.00 0.00 46.02 45.85 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 -3.25 3.40 -0.39 1.61 0.08 -0.39 -5.03 117.98 114.00 2joe s PHE 127 Ca 0.17 1.37 -0.07 0.00 0.12 0.00 0.00 56.93 58.52 2joe s PHE 127 Cb -0.08 -2.80 0.07 0.00 -0.57 0.00 0.00 43.02 39.64 2joe s PHE 127 CO 0.53 -0.85 0.20 0.15 -0.10 0.00 0.00 175.22 175.15 2joe s LYS 128 N -4.89 2.54 -0.24 0.44 1.02 -1.26 -4.84 119.74 112.50 2joe s LYS 128 Ca 0.57 -1.41 -0.19 0.00 0.02 0.00 0.00 55.97 54.97 2joe s LYS 128 Cb -0.12 -3.64 -0.03 0.00 -0.52 0.00 0.00 37.83 33.52 2joe s LYS 128 CO 0.50 -0.87 0.56 -1.21 -0.92 0.00 0.00 175.35 173.41 2joe s GLU 129 N 1.38 4.12 -0.42 1.68 2.02 -1.26 -0.41 118.70 125.81 2joe s GLU 129 Ca 0.02 0.43 -0.20 0.00 0.02 0.00 0.00 54.97 55.24 2joe s GLU 129 Cb -0.22 -3.62 0.02 0.00 0.10 0.00 0.00 34.13 30.41 2joe s GLU 129 CO 0.02 -0.31 0.57 0.08 0.02 0.00 0.00 175.26 175.64 2joe s VAL 130 N 2.17 4.92 -0.23 2.63 1.01 0.15 -4.90 120.40 126.14 2joe s VAL 130 Ca 0.24 0.03 -0.29 0.00 0.00 0.00 0.00 61.98 61.96 2joe s VAL 130 Cb -0.16 -4.13 -0.03 0.00 0.00 0.00 0.00 36.38 32.06 2joe s VAL 130 CO 0.09 -0.50 1.79 -0.54 0.00 0.00 0.00 175.10 175.94 2joe s LYS 131 N 2.59 3.58 -1.35 2.72 1.02 -1.26 -2.63 119.74 124.42 2joe s LYS 131 Ca 0.19 1.71 -0.16 0.00 0.02 0.00 0.00 55.97 57.74 2joe s LYS 131 Cb -0.15 -4.14 0.07 0.00 -0.52 0.00 0.00 37.83 33.08 2joe s LYS 131 CO 0.17 -1.56 1.88 -0.11 -0.92 0.00 0.00 175.35 174.81 2joe n LEU 132 N 9.41 5.62 -4.77 3.17 7.94 -1.24 -4.83 117.00 132.29 2joe n LEU 132 Ca 0.22 -4.04 -0.27 0.00 -1.11 0.00 0.00 56.01 50.80 2joe n LEU 132 Cb 0.45 -1.71 -0.06 0.00 0.53 0.00 0.00 43.42 42.64 2joe n LEU 132 CO 0.66 0.52 -0.25 -1.61 -1.11 0.00 0.00 177.39 175.60 2joe s GLU 133 N 3.66 2.81 0.24 1.96 2.02 -1.26 -4.78 118.70 123.34 2joe s GLU 133 Ca 0.51 -0.86 -0.03 0.00 0.02 0.00 0.00 54.97 54.61 2joe s GLU 133 Cb 0.07 -2.62 0.27 0.00 0.10 0.00 0.00 34.13 31.95 2joe s GLU 133 CO 0.02 0.50 1.71 1.25 0.02 0.00 0.00 175.26 178.76 2joe h HIS 134 N 2.70 0.86 -0.31 1.61 -0.00 -1.92 -2.27 115.15 115.82 2joe h HIS 134 Ca -0.47 -0.15 0.00 0.00 -0.00 0.00 0.00 60.37 59.75 2joe h HIS 134 Cb 1.19 -0.22 0.00 0.00 -0.00 0.00 0.00 27.41 28.38 2joe h HIS 134 CO 0.59 0.84 0.00 -2.39 -0.00 0.00 0.00 177.93 176.97 2joe n HIS 135 N -4.17 1.11 -0.09 5.26 1.44 -1.26 -3.82 115.22 113.69 2joe n HIS 135 Ca 0.02 -0.39 -0.17 0.00 -2.01 0.00 0.00 57.72 55.16 2joe n HIS 135 Cb 0.35 -0.32 -0.07 0.00 0.12 0.00 0.00 29.99 30.07 2joe n HIS 135 CO 0.00 0.00 0.00 1.58 -2.81 0.00 0.00 176.34 175.11 2joe n HIS 136 N 0.35 0.00 -3.10 -1.40 -0.00 -0.86 -4.89 115.22 105.31 2joe n HIS 136 Ca 0.15 0.00 -0.41 0.00 0.46 0.00 0.00 57.72 57.92 2joe n HIS 136 Cb 0.75 -0.68 -0.06 0.00 -0.12 0.00 0.00 29.99 29.88 2joe n HIS 136 CO 0.00 0.00 0.00 -1.58 0.46 0.00 0.00 176.34 175.22 2joe s HIS 137 N -2.35 3.24 0.15 1.57 2.46 -1.16 -5.00 115.29 114.19 2joe s HIS 137 Ca -0.26 0.69 0.03 0.00 0.47 0.00 0.00 55.06 55.99 2joe s HIS 137 Cb 0.09 -2.94 -0.04 0.00 -0.13 0.00 0.00 32.58 29.55 2joe s HIS 137 CO 0.36 -0.42 -0.06 -3.38 -2.47 0.00 0.00 174.74 168.77 2joe s HIS 138 N 2.58 1.19 -2.27 3.88 -3.43 -1.26 -4.90 115.29 111.08 2joe s HIS 138 Ca 0.26 -0.86 0.30 0.00 -0.80 0.00 0.00 55.06 53.95 2joe s HIS 138 Cb -0.15 -0.65 1.44 0.00 -1.43 0.00 0.00 32.58 31.79 2joe s HIS 138 CO 0.10 -0.04 1.97 1.58 -2.00 0.00 0.00 174.74 176.35