#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 4.35 3.19 -5.12 0.00 -1.26 -4.86 105.19 101.49 2joe n GLY 2 Ca 0.00 -1.59 -0.41 0.00 0.00 0.00 0.00 46.02 44.02 2joe n GLY 2 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2joe n ASP 3 N 6.17 4.04 -3.97 1.61 9.92 -1.26 -4.84 116.55 128.23 2joe n ASP 3 Ca 0.52 -2.84 -0.09 0.00 -0.53 0.00 0.00 54.79 51.86 2joe n ASP 3 Cb 0.39 -1.64 -0.08 0.00 -0.64 0.00 0.00 41.12 39.15 2joe n ASP 3 CO 0.00 0.00 0.00 -1.59 0.13 0.00 0.00 177.20 175.74 2joe s LYS 4 N 4.15 0.84 -0.42 -1.24 -2.85 -1.26 -5.08 119.74 113.88 2joe s LYS 4 Ca 0.53 -1.11 -0.28 0.00 -1.00 0.00 0.00 55.97 54.11 2joe s LYS 4 Cb 0.09 0.30 -0.01 0.00 -2.06 0.00 0.00 37.83 36.15 2joe s LYS 4 CO 0.02 -0.25 1.64 -1.21 0.10 0.00 0.00 175.35 175.66 2joe s GLU 5 N -3.91 3.30 -0.11 1.78 8.01 -1.26 -4.62 118.70 121.88 2joe s GLU 5 Ca 0.10 1.04 -0.04 0.00 0.01 0.00 0.00 54.97 56.08 2joe s GLU 5 Cb 0.06 -4.16 -0.04 0.00 -4.31 0.00 0.00 34.13 25.68 2joe s GLU 5 CO -0.08 -1.91 0.04 -2.00 0.01 0.00 0.00 175.26 171.32 2joe s GLU 6 N 5.62 3.30 -0.33 1.61 2.56 -0.67 -4.93 118.70 125.87 2joe s GLU 6 Ca 0.69 -0.35 -0.16 0.00 0.00 0.00 0.00 54.97 55.15 2joe s GLU 6 Cb -0.17 -2.95 -0.01 0.00 2.00 0.00 0.00 34.13 32.99 2joe s GLU 6 CO 0.30 0.61 0.40 0.45 -0.56 0.00 0.00 175.26 176.46 2joe s SER 7 N -0.60 6.22 -0.19 -1.70 0.15 -1.26 -1.68 113.70 114.63 2joe s SER 7 Ca 0.11 -0.09 0.01 0.00 0.70 0.00 0.00 55.95 56.67 2joe s SER 7 Cb -0.12 -2.21 0.04 0.00 -1.71 0.00 0.00 66.02 62.01 2joe s SER 7 CO 0.02 -0.34 -0.12 -0.75 1.20 0.00 0.00 173.24 173.25 2joe s LYS 8 N 2.11 2.16 -0.04 5.44 2.20 -0.52 -4.87 119.74 126.22 2joe s LYS 8 Ca 0.14 -0.80 0.05 0.00 -0.36 0.00 0.00 55.97 55.00 2joe s LYS 8 Cb -0.16 -2.37 -0.02 0.00 -1.51 0.00 0.00 37.83 33.76 2joe s LYS 8 CO 0.12 -0.38 -0.18 0.21 -0.36 0.00 0.00 175.35 174.76 2joe s LYS 9 N 1.40 2.42 0.30 4.03 2.20 -1.26 -1.03 119.74 127.80 2joe s LYS 9 Ca 0.00 -0.77 0.05 0.00 -0.36 0.00 0.00 55.97 54.89 2joe s LYS 9 Cb -0.15 -2.28 -0.06 0.00 -1.51 0.00 0.00 37.83 33.83 2joe s LYS 9 CO -0.09 0.58 -0.01 -0.59 -0.36 0.00 0.00 175.35 174.89 2joe s PHE 10 N -0.64 1.97 -0.24 4.03 -0.71 -0.45 -0.87 117.98 121.07 2joe s PHE 10 Ca 0.10 -0.81 -0.07 0.00 -1.04 0.00 0.00 56.93 55.11 2joe s PHE 10 Cb -0.11 -1.21 0.11 0.00 -1.21 0.00 0.00 43.02 40.61 2joe s PHE 10 CO 0.00 0.17 0.49 0.45 -1.34 0.00 0.00 175.22 174.99 2joe s SER 11 N -3.47 -0.53 -0.08 1.98 0.15 -0.53 -1.36 113.70 109.87 2joe s SER 11 Ca 0.32 1.09 0.05 0.00 0.70 0.00 0.00 55.95 58.11 2joe s SER 11 Cb 0.06 1.65 -0.01 0.00 -1.71 0.00 0.00 66.02 66.01 2joe s SER 11 CO 0.13 -0.24 -0.23 0.00 1.20 0.00 0.00 173.24 174.11 2joe s ALA 12 N 2.70 2.24 -0.72 5.45 0.00 -0.98 -4.32 121.76 126.13 2joe s ALA 12 Ca -0.01 -1.00 -0.19 0.00 0.00 0.00 0.00 51.96 50.76 2joe s ALA 12 Cb -0.12 -0.79 0.12 0.00 0.00 0.00 0.00 23.12 22.33 2joe s ALA 12 CO -0.15 0.36 0.87 1.21 0.00 0.00 0.00 175.76 178.05 2joe s ASN 13 N 0.03 6.37 -0.59 0.00 3.84 -1.26 -1.10 114.94 122.23 2joe s ASN 13 Ca -0.09 -1.66 -0.20 0.00 0.21 0.00 0.00 52.86 51.12 2joe s ASN 13 Cb -0.15 -2.34 0.09 0.00 -0.55 0.00 0.00 41.25 38.30 2joe s ASN 13 CO 0.06 -1.10 0.73 -0.76 -2.79 0.00 0.00 177.10 173.24 2joe s LEU 14 N 2.64 5.14 -1.56 3.21 1.02 0.53 -4.40 118.68 125.26 2joe s LEU 14 Ca 0.20 -1.25 0.00 0.00 0.02 0.00 0.00 54.13 53.09 2joe s LEU 14 Cb -0.16 -2.36 0.00 0.00 0.02 0.00 0.00 46.19 43.69 2joe s LEU 14 CO 0.01 -1.13 0.00 0.59 0.02 0.00 0.00 176.35 175.84 2joe n ASN 15 N 6.53 -5.13 0.00 2.29 4.13 -1.26 -0.92 115.26 120.90 2joe n ASN 15 Ca -0.08 0.36 0.00 0.00 1.68 0.00 0.00 54.58 56.54 2joe n ASN 15 Cb 0.43 -3.92 0.00 0.00 -1.54 0.00 0.00 39.78 34.75 2joe n ASN 15 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 2joe n GLY 16 N -0.69 1.63 3.35 7.41 0.00 -1.26 -5.08 105.19 110.54 2joe n GLY 16 Ca -0.15 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.51 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 -2.07 3.85 0.28 2.61 2.01 -0.09 -4.33 115.64 117.90 2joe s THR 17 Ca 0.00 -0.57 -0.29 0.00 0.31 0.00 0.00 61.69 61.14 2joe s THR 17 Cb 0.00 -2.91 -0.09 0.00 0.01 0.00 0.00 72.50 69.51 2joe s THR 17 CO 0.00 0.20 1.04 -1.61 -0.69 0.00 0.00 174.62 173.57 2joe s GLU 18 N 1.51 4.66 -0.31 4.92 2.02 -0.61 -0.35 118.70 130.54 2joe s GLU 18 Ca 0.04 1.67 0.01 0.00 0.02 0.00 0.00 54.97 56.71 2joe s GLU 18 Cb -0.16 -3.15 0.09 0.00 0.10 0.00 0.00 34.13 31.02 2joe s GLU 18 CO 0.01 0.27 0.06 0.42 0.02 0.00 0.00 175.26 176.04 2joe s ILE 19 N -1.23 1.55 -0.53 -1.63 1.01 -0.26 0.19 121.20 120.30 2joe s ILE 19 Ca 0.45 -1.77 -0.15 0.00 0.00 0.00 0.00 60.65 59.18 2joe s ILE 19 Cb -0.29 -2.11 0.13 0.00 0.01 0.00 0.00 42.46 40.20 2joe s ILE 19 CO 0.37 -0.56 0.47 0.00 0.00 0.00 0.00 174.94 175.21 2joe s ALA 20 N 1.29 3.60 -0.30 9.38 0.00 0.30 -2.32 121.76 133.71 2joe s ALA 20 Ca 0.08 -2.54 -0.11 0.00 0.00 0.00 0.00 51.96 49.39 2joe s ALA 20 Cb -0.18 -3.19 -0.03 0.00 0.00 0.00 0.00 23.12 19.73 2joe s ALA 20 CO -0.15 -2.00 0.19 0.42 0.00 0.00 0.00 175.76 174.21 2joe s ILE 21 N 1.55 5.03 -0.48 0.00 1.01 -0.47 -0.86 121.20 126.99 2joe s ILE 21 Ca 0.04 -0.13 -0.11 0.00 0.00 0.00 0.00 60.65 60.44 2joe s ILE 21 Cb -0.29 -3.50 0.11 0.00 0.01 0.00 0.00 42.46 38.79 2joe s ILE 21 CO 0.02 0.13 0.37 -0.89 0.00 0.00 0.00 174.94 174.57 2joe s THR 22 N 1.70 4.50 -0.20 2.92 2.01 0.62 -1.34 115.64 125.85 2joe s THR 22 Ca 0.06 -1.61 -0.08 0.00 0.31 0.00 0.00 61.69 60.37 2joe s THR 22 Cb -0.17 -3.89 -0.04 0.00 0.01 0.00 0.00 72.50 68.41 2joe s THR 22 CO 0.09 -0.74 0.07 -0.72 -0.69 0.00 0.00 174.62 172.63 2joe s TYR 23 N 1.44 3.23 -0.34 4.92 -0.85 -0.20 -0.50 117.35 125.06 2joe s TYR 23 Ca 0.05 0.01 -0.16 0.00 -0.52 0.00 0.00 57.07 56.45 2joe s TYR 23 Cb -0.26 -2.12 -0.01 0.00 0.38 0.00 0.00 41.96 39.95 2joe s TYR 23 CO 0.01 0.07 0.42 0.08 -1.52 0.00 0.00 175.55 174.61 2joe s VAL 24 N 0.62 5.11 0.29 -3.49 1.01 0.13 -1.43 120.40 122.64 2joe s VAL 24 Ca 0.04 0.20 0.11 0.00 0.00 0.00 0.00 61.98 62.33 2joe s VAL 24 Cb -0.13 -3.86 -0.05 0.00 0.00 0.00 0.00 36.38 32.34 2joe s VAL 24 CO 0.01 -0.11 -0.11 -0.72 0.00 0.00 0.00 175.10 174.17 2joe s TYR 25 N 2.16 2.45 -0.24 5.22 1.13 -0.68 -1.04 117.35 126.35 2joe s TYR 25 Ca 0.15 -0.33 -0.04 0.00 -1.41 0.00 0.00 57.07 55.44 2joe s TYR 25 Cb -0.16 -1.16 0.08 0.00 -1.10 0.00 0.00 41.96 39.62 2joe s TYR 25 CO 0.12 0.64 0.09 0.21 -2.51 0.00 0.00 175.55 174.11 2joe s LYS 26 N -3.59 0.32 7.20 -3.49 2.20 0.11 -1.67 119.74 120.81 2joe s LYS 26 Ca 0.31 -0.45 0.00 0.00 -0.36 0.00 0.00 55.97 55.47 2joe s LYS 26 Cb -0.04 -1.67 0.00 0.00 -1.51 0.00 0.00 37.83 34.61 2joe s LYS 26 CO 0.17 -0.84 0.00 0.41 -0.36 0.00 0.00 175.35 174.74 2joe n GLY 27 N 5.16 2.15 0.63 5.54 0.00 -1.26 -2.35 105.19 115.07 2joe n GLY 27 Ca -0.06 -0.31 0.06 0.00 0.00 0.00 0.00 46.02 45.71 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 9.50 2.70 -4.35 1.61 -0.08 -1.26 -4.89 116.55 119.77 2joe n ASP 28 Ca 0.00 -1.84 -0.40 0.00 -1.51 0.00 0.00 54.79 51.04 2joe n ASP 28 Cb 0.00 -0.17 -0.12 0.00 2.34 0.00 0.00 41.12 43.17 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 -1.01 2.81 -0.22 -0.67 2.20 -0.99 0.06 119.74 121.92 2joe s LYS 29 Ca 0.22 -1.08 -0.29 0.00 -0.36 0.00 0.00 55.97 54.46 2joe s LYS 29 Cb 0.12 -3.64 0.01 0.00 -1.51 0.00 0.00 37.83 32.81 2joe s LYS 29 CO 0.17 -0.67 1.07 0.08 -0.36 0.00 0.00 175.35 175.64 2joe s VAL 30 N 1.52 4.62 -0.05 4.02 1.01 -1.26 0.05 120.40 130.31 2joe s VAL 30 Ca 0.01 1.95 0.18 0.00 0.00 0.00 0.00 61.98 64.12 2joe s VAL 30 Cb -0.19 -4.27 -0.27 0.00 0.00 0.00 0.00 36.38 31.65 2joe s VAL 30 CO 0.05 -0.19 0.34 0.18 0.00 0.00 0.00 175.10 175.49 2joe n LEU 31 N 6.38 0.00 -3.70 3.92 4.77 -0.21 -4.68 117.00 123.50 2joe n LEU 31 Ca 0.12 0.00 -0.12 0.00 -0.03 0.00 0.00 56.01 55.99 2joe n LEU 31 Cb 0.46 0.07 -0.10 0.00 -2.33 0.00 0.00 43.42 41.52 2joe n LEU 31 CO 0.53 0.07 0.15 -0.75 -1.33 0.00 0.00 177.39 176.05 2joe s LYS 32 N -3.12 0.53 -0.26 3.23 2.20 -0.93 -0.20 119.74 121.18 2joe s LYS 32 Ca -0.07 0.78 0.02 0.00 -0.36 0.00 0.00 55.97 56.34 2joe s LYS 32 Cb 0.10 0.16 0.07 0.00 -1.51 0.00 0.00 37.83 36.65 2joe s LYS 32 CO 0.74 -0.11 -0.06 -1.14 -0.36 0.00 0.00 175.35 174.43 2joe s GLN 33 N 0.79 1.81 -0.76 4.03 0.74 0.62 0.19 119.66 127.07 2joe s GLN 33 Ca -0.04 -1.24 -0.19 0.00 0.05 0.00 0.00 55.36 53.94 2joe s GLN 33 Cb -0.05 -2.76 0.13 0.00 1.10 0.00 0.00 33.01 31.43 2joe s GLN 33 CO -0.06 -0.65 0.90 -1.54 -0.55 0.00 0.00 175.29 173.40 2joe s SER 34 N 1.23 6.44 -0.30 6.67 1.04 0.35 -0.13 113.70 128.99 2joe s SER 34 Ca -0.04 -1.80 -0.14 0.00 0.48 0.00 0.00 55.95 54.45 2joe s SER 34 Cb -0.19 -2.34 -0.03 0.00 0.10 0.00 0.00 66.02 63.56 2joe s SER 34 CO -0.07 -1.05 0.30 -0.55 0.98 0.00 0.00 173.24 172.85 2joe s SER 35 N 3.40 6.14 -0.31 7.02 0.15 0.14 -0.27 113.70 129.97 2joe s SER 35 Ca 0.22 -0.03 -0.05 0.00 0.70 0.00 0.00 55.95 56.78 2joe s SER 35 Cb -0.14 -2.17 0.03 0.00 -1.71 0.00 0.00 66.02 62.03 2joe s SER 35 CO -0.01 -0.20 0.06 -0.70 1.20 0.00 0.00 173.24 173.59 2joe s GLU 36 N 1.93 2.76 -0.40 5.44 2.12 -0.04 -0.03 118.70 130.48 2joe s GLU 36 Ca 0.11 -1.07 -0.16 0.00 0.36 0.00 0.00 54.97 54.21 2joe s GLU 36 Cb -0.16 -3.34 0.01 0.00 0.26 0.00 0.00 34.13 30.90 2joe s GLU 36 CO 0.11 -0.56 0.36 0.99 -0.54 0.00 0.00 175.26 175.62 2joe s THR 37 N 1.40 5.18 -0.41 -1.70 2.01 0.24 -0.54 115.64 121.82 2joe s THR 37 Ca -0.01 -0.38 -0.18 0.00 0.31 0.00 0.00 61.69 61.43 2joe s THR 37 Cb -0.18 -3.94 0.02 0.00 0.01 0.00 0.00 72.50 68.41 2joe s THR 37 CO 0.01 -0.29 0.52 -0.75 -0.69 0.00 0.00 174.62 173.42 2joe s LYS 38 N 1.92 3.26 -0.28 4.92 2.20 0.13 -0.16 119.74 131.73 2joe s LYS 38 Ca 0.09 -0.52 -0.11 0.00 -0.36 0.00 0.00 55.97 55.07 2joe s LYS 38 Cb -0.18 -3.93 -0.05 0.00 -1.51 0.00 0.00 37.83 32.17 2joe s LYS 38 CO 0.12 -0.86 0.21 0.42 -0.36 0.00 0.00 175.35 174.88 2joe s ILE 39 N 2.40 5.30 0.29 5.43 1.09 0.76 -1.57 121.20 134.90 2joe s ILE 39 Ca 0.17 0.20 -0.29 0.00 -1.10 0.00 0.00 60.65 59.63 2joe s ILE 39 Cb -0.16 -3.55 -0.10 0.00 -1.06 0.00 0.00 42.46 37.60 2joe s ILE 39 CO 0.15 0.24 1.12 -1.58 -0.10 0.00 0.00 174.94 174.77 2joe s GLN 40 N 1.79 4.59 0.51 2.79 2.00 -1.26 -0.24 119.66 129.84 2joe s GLN 40 Ca 0.08 1.84 0.16 0.00 -2.00 0.00 0.00 55.36 55.43 2joe s GLN 40 Cb -0.16 -3.15 1.24 0.00 0.80 0.00 0.00 33.01 31.74 2joe s GLN 40 CO 0.11 0.15 2.13 0.74 -0.50 0.00 0.00 175.29 177.92 2joe h PHE 41 N 3.71 0.05 0.00 1.67 -1.00 -1.67 0.32 116.94 120.01 2joe h PHE 41 Ca -0.47 0.00 -0.00 0.00 2.81 0.00 0.00 57.97 60.31 2joe h PHE 41 Cb 1.21 -0.02 -0.00 0.00 3.61 0.00 0.00 35.95 40.76 2joe h PHE 41 CO 0.58 0.03 -0.02 0.00 -1.61 0.00 0.00 178.31 177.29 2joe h ALA 42 N 1.96 1.00 0.01 2.45 0.00 -1.85 0.05 119.26 122.88 2joe h ALA 42 Ca 0.03 -0.02 -0.32 0.00 0.00 0.00 0.00 54.91 54.60 2joe h ALA 42 Cb 0.07 -0.00 -0.05 0.00 0.00 0.00 0.00 17.79 17.80 2joe h ALA 42 CO -0.00 0.03 -1.91 0.43 0.00 0.00 0.00 179.25 177.79 2joe n SER 43 N -3.12 0.87 0.06 0.00 7.64 0.03 -4.21 113.62 114.89 2joe n SER 43 Ca 0.01 0.29 0.00 0.00 1.01 0.00 0.00 58.87 60.18 2joe n SER 43 Cb 0.34 0.06 -0.06 0.00 -1.01 0.00 0.00 64.21 63.53 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 0.01 0.61 -0.75 0.44 2.10 -1.29 -3.49 117.51 115.14 2joe h ILE 44 Ca -0.37 -2.07 0.00 0.00 1.08 0.00 0.00 64.86 63.50 2joe h ILE 44 Cb 2.06 2.14 0.00 0.00 -1.09 0.00 0.00 36.82 39.93 2joe h ILE 44 CO 0.06 0.35 0.00 0.61 -1.08 0.00 0.00 178.15 178.09 2joe n GLY 45 N 1.35 0.89 3.65 8.18 0.00 -0.04 -5.06 105.19 114.16 2joe n GLY 45 Ca -0.07 -0.65 -0.35 0.00 0.00 0.00 0.00 46.02 44.96 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 -2.75 3.40 -0.12 4.61 0.00 -0.92 -4.98 121.76 121.01 2joe s ALA 46 Ca 0.00 -0.75 0.06 0.00 0.00 0.00 0.00 51.96 51.28 2joe s ALA 46 Cb 0.00 -1.86 -0.24 0.00 0.00 0.00 0.00 23.12 21.03 2joe s ALA 46 CO 0.00 0.25 0.38 2.41 0.00 0.00 0.00 175.76 178.80 2joe n THR 47 N 3.29 1.62 -4.58 0.00 -1.04 -1.26 -4.75 114.28 107.56 2joe n THR 47 Ca -0.17 -0.74 -0.26 0.00 -2.04 0.00 0.00 64.05 60.84 2joe n THR 47 Cb 0.53 -1.20 -0.10 0.00 -1.82 0.00 0.00 70.33 67.73 2joe n THR 47 CO 0.00 0.00 0.00 0.42 -0.64 0.00 0.00 175.07 174.85 2joe s THR 48 N -2.56 1.57 0.14 12.58 -4.23 -1.26 -5.02 115.64 116.85 2joe s THR 48 Ca -0.14 -2.00 0.17 0.00 -1.18 0.00 0.00 61.69 58.54 2joe s THR 48 Cb 0.07 -2.80 0.09 0.00 1.34 0.00 0.00 72.50 71.20 2joe s THR 48 CO 0.78 0.00 1.67 0.07 -0.54 0.00 0.00 174.62 176.60 2joe h LYS 49 N 1.84 0.00 -0.29 3.99 2.10 -1.94 -2.42 116.57 119.85 2joe h LYS 49 Ca -0.42 0.00 -0.12 0.00 -2.00 0.00 0.00 60.65 58.10 2joe h LYS 49 Cb 1.25 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 32.57 2joe h LYS 49 CO 0.75 0.44 -0.33 0.93 -2.00 0.00 0.00 179.45 179.25 2joe h GLU 50 N 0.00 0.63 -0.41 0.07 4.39 -1.98 -0.52 114.58 116.76 2joe h GLU 50 Ca -0.00 -0.29 0.02 0.00 0.34 0.00 0.00 59.36 59.42 2joe h GLU 50 Cb 1.01 -0.01 -0.03 0.00 -0.10 0.00 0.00 28.75 29.62 2joe h GLU 50 CO 0.06 0.88 0.25 -0.44 -1.16 0.00 0.00 179.01 178.59 2joe h ASP 51 N 0.54 0.41 -0.01 1.42 3.32 -1.87 0.30 116.42 120.51 2joe h ASP 51 Ca 0.06 0.00 0.01 0.00 0.02 0.00 0.00 57.03 57.12 2joe h ASP 51 Cb 0.82 -0.09 -0.01 0.00 0.22 0.00 0.00 39.33 40.27 2joe h ASP 51 CO 0.07 0.29 -0.04 0.00 -1.72 0.00 0.00 179.24 177.84 2joe h ALA 52 N 1.18 -0.03 -0.54 3.45 0.00 -1.21 -2.61 119.26 119.50 2joe h ALA 52 Ca 0.16 0.01 0.01 0.00 0.00 0.00 0.00 54.91 55.09 2joe h ALA 52 Cb -0.00 0.08 -0.03 0.00 0.00 0.00 0.00 17.79 17.84 2joe h ALA 52 CO -0.07 -0.53 0.35 0.00 0.00 0.00 0.00 179.25 179.00 2joe h ALA 53 N 0.94 0.69 -0.13 0.00 0.00 -0.82 0.13 119.26 120.07 2joe h ALA 53 Ca 0.02 -0.03 0.04 0.00 0.00 0.00 0.00 54.91 54.94 2joe h ALA 53 Cb 0.10 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.68 2joe h ALA 53 CO -0.06 0.10 0.15 -0.22 0.00 0.00 0.00 179.25 179.23 2joe h LYS 54 N 0.71 0.00 0.00 0.00 3.64 -0.13 0.26 116.57 121.05 2joe h LYS 54 Ca 0.20 0.00 -0.37 0.00 -1.27 0.00 0.00 60.65 59.21 2joe h LYS 54 Cb -0.06 0.00 -0.07 0.00 -0.41 0.00 0.00 32.23 31.70 2joe h LYS 54 CO -0.06 0.00 -2.38 2.41 -2.27 0.00 0.00 179.45 177.15 2joe n THR 55 N -3.78 1.45 0.04 1.00 -1.04 -0.82 -4.55 114.28 106.58 2joe n THR 55 Ca 0.00 -0.74 -0.03 0.00 -2.04 0.00 0.00 64.05 61.25 2joe n THR 55 Cb 0.27 -0.90 -0.09 0.00 -1.82 0.00 0.00 70.33 67.78 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 0.00 0.00 -0.54 -4.42 3.38 -0.06 -3.36 115.31 110.31 2joe h LEU 56 Ca -0.55 0.00 0.05 0.00 0.09 0.00 0.00 57.88 57.48 2joe h LEU 56 Cb 2.10 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 42.80 2joe h LEU 56 CO -0.01 0.74 0.27 -0.33 0.09 0.00 0.00 178.44 179.20 2joe h GLU 57 N 0.00 0.50 -1.43 1.13 5.08 -0.73 0.51 114.58 119.65 2joe h GLU 57 Ca -0.15 -0.03 0.44 0.00 -1.00 0.00 0.00 59.36 58.61 2joe h GLU 57 Cb 1.70 -0.11 -0.10 0.00 0.50 0.00 0.00 28.75 30.74 2joe h GLU 57 CO 0.07 0.33 0.97 -1.35 -1.00 0.00 0.00 179.01 178.03 2joe h PRO 58 N 0.52 0.08 0.08 2.33 0.11 -1.81 0.18 132.00 133.48 2joe h PRO 58 Ca 0.25 -0.00 -0.24 0.00 0.11 0.00 0.00 66.00 66.11 2joe h PRO 58 Cb 0.17 -0.02 -0.01 0.00 0.11 0.00 0.00 31.00 31.25 2joe h PRO 58 CO -0.18 0.05 -1.26 -0.07 -0.21 0.00 0.00 178.00 176.34 2joe h LEU 59 N 0.08 0.25 -1.31 2.35 4.07 -1.17 -3.37 115.31 116.20 2joe h LEU 59 Ca 0.79 -0.79 -0.07 0.00 0.08 0.00 0.00 57.88 57.89 2joe h LEU 59 Cb 2.71 -0.08 -0.01 0.00 1.08 0.00 0.00 40.66 44.36 2joe h LEU 59 CO -0.25 1.54 -0.33 0.77 -1.08 0.00 0.00 178.44 179.08 2joe h SER 60 N -0.52 0.00 0.30 -0.43 4.64 -0.36 -2.03 113.55 115.15 2joe h SER 60 Ca -0.29 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.03 2joe h SER 60 Cb 1.59 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.68 2joe h SER 60 CO -0.01 0.33 0.00 0.00 -0.87 0.00 0.00 176.83 176.28 2joe n ALA 61 N -2.41 1.60 1.38 5.18 0.00 0.54 -1.41 120.51 125.39 2joe n ALA 61 Ca -0.02 -0.05 0.14 0.00 0.00 0.00 0.00 53.44 53.51 2joe n ALA 61 Cb 0.40 -1.18 0.46 0.00 0.00 0.00 0.00 19.45 19.12 2joe n ALA 61 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 2joe n LYS 62 N -1.39 1.23 -0.04 0.00 5.02 -0.76 -3.58 118.16 118.63 2joe n LYS 62 Ca 0.04 -0.71 0.12 0.00 -2.02 0.00 0.00 58.31 55.74 2joe n LYS 62 Cb 0.11 -1.49 0.46 0.00 -0.02 0.00 0.00 35.03 34.10 2joe n LYS 62 CO 0.00 0.00 0.00 0.66 -0.52 0.00 0.00 177.40 177.54 2joe n TYR 63 N -0.27 0.10 -1.53 2.13 4.02 -0.50 -4.86 117.16 116.26 2joe n TYR 63 Ca 0.16 -0.05 -0.43 0.00 -0.01 0.00 0.00 57.90 57.56 2joe n TYR 63 Cb 0.35 0.00 -0.05 0.00 -0.02 0.00 0.00 39.34 39.62 2joe n TYR 63 CO 0.00 0.00 0.00 0.36 -1.01 0.00 0.00 176.86 176.21 2joe n LYS 64 N 0.20 1.29 -3.63 -0.72 2.85 -1.24 -2.50 118.16 114.41 2joe n LYS 64 Ca 0.18 0.27 -0.23 0.00 -1.05 0.00 0.00 58.31 57.47 2joe n LYS 64 Cb 0.33 -2.92 0.07 0.00 -0.65 0.00 0.00 35.03 31.86 2joe n LYS 64 CO 0.00 0.00 0.00 0.09 -0.05 0.00 0.00 177.40 177.44 2joe n ASN 65 N 12.19 -4.70 0.09 -5.58 4.13 -1.26 -4.89 115.26 115.24 2joe n ASN 65 Ca 0.38 -0.63 -0.15 0.00 1.68 0.00 0.00 54.58 55.87 2joe n ASN 65 Cb 0.37 -4.75 -0.10 0.00 -1.54 0.00 0.00 39.78 33.76 2joe n ASN 65 CO 0.00 0.00 0.00 0.40 0.28 0.00 0.00 177.26 177.94 2joe h ILE 66 N -2.35 1.47 -0.13 2.41 2.04 -1.83 -3.47 117.51 115.65 2joe h ILE 66 Ca -0.58 -2.86 0.00 0.00 1.00 0.00 0.00 64.86 62.42 2joe h ILE 66 Cb 1.36 2.77 0.00 0.00 -0.74 0.00 0.00 36.82 40.21 2joe h ILE 66 CO 0.57 0.84 0.00 0.00 0.00 0.00 0.00 178.15 179.56 2joe n ALA 67 N -2.53 0.00 -0.85 1.87 0.00 -1.26 -0.74 120.51 116.99 2joe n ALA 67 Ca -0.08 0.00 -0.15 0.00 0.00 0.00 0.00 53.44 53.21 2joe n ALA 67 Cb 0.96 0.00 -0.10 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 2.88 3.58 0.00 0.00 -1.26 -4.88 105.19 105.50 2joe n GLY 68 Ca 0.00 -1.01 -0.43 0.00 0.00 0.00 0.00 46.02 44.58 2joe n GLY 68 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2joe s VAL 69 N 1.80 4.24 -0.55 1.61 -7.23 -1.23 -3.82 120.40 115.21 2joe s VAL 69 Ca 0.53 0.96 -0.20 0.00 -1.81 0.00 0.00 61.98 61.46 2joe s VAL 69 Cb 0.22 -4.59 0.07 0.00 0.56 0.00 0.00 36.38 32.65 2joe s VAL 69 CO -0.01 -1.05 0.71 -0.70 -0.31 0.00 0.00 175.10 173.73 2joe s GLU 70 N 4.36 3.11 -0.25 4.82 2.12 0.46 -4.87 118.70 128.45 2joe s GLU 70 Ca 0.43 -1.00 -0.14 0.00 0.36 0.00 0.00 54.97 54.61 2joe s GLU 70 Cb -0.08 -4.17 -0.04 0.00 0.26 0.00 0.00 34.13 30.10 2joe s GLU 70 CO 0.28 -1.41 0.34 -2.00 -0.54 0.00 0.00 175.26 171.93 2joe s GLU 71 N 2.87 4.05 -0.37 4.30 -6.30 -1.26 -0.52 118.70 121.47 2joe s GLU 71 Ca 0.15 0.02 0.02 0.00 -2.50 0.00 0.00 54.97 52.66 2joe s GLU 71 Cb -0.20 -3.62 0.11 0.00 0.00 0.00 0.00 34.13 30.42 2joe s GLU 71 CO 0.10 -0.18 0.12 0.15 0.02 0.00 0.00 175.26 175.48 2joe s LYS 72 N 1.76 1.28 -0.75 4.30 1.02 -0.21 -5.02 119.74 122.12 2joe s LYS 72 Ca 0.15 -1.75 -0.25 0.00 0.02 0.00 0.00 55.97 54.14 2joe s LYS 72 Cb -0.15 -2.71 0.05 0.00 -0.52 0.00 0.00 37.83 34.50 2joe s LYS 72 CO 0.09 -1.01 1.19 -0.51 -0.92 0.00 0.00 175.35 174.19 2joe s LEU 73 N 0.88 3.65 -0.34 3.17 1.43 -1.26 -1.23 118.68 124.98 2joe s LEU 73 Ca 0.12 -0.77 -0.05 0.00 -1.03 0.00 0.00 54.13 52.40 2joe s LEU 73 Cb -0.20 -2.51 0.05 0.00 0.03 0.00 0.00 46.19 43.56 2joe s LEU 73 CO -0.11 -1.65 0.10 -0.89 0.23 0.00 0.00 176.35 174.02 2joe s THR 74 N 5.02 3.61 -0.52 5.49 2.01 0.24 -4.94 115.64 126.55 2joe s THR 74 Ca 0.32 -1.26 -0.17 0.00 0.31 0.00 0.00 61.69 60.89 2joe s THR 74 Cb -0.10 -3.09 0.10 0.00 0.01 0.00 0.00 72.50 69.42 2joe s THR 74 CO 0.10 -0.22 0.51 -0.31 -0.69 0.00 0.00 174.62 174.01 2joe s TYR 75 N 1.35 3.19 -0.13 4.92 2.02 -1.26 -0.25 117.35 127.19 2joe s TYR 75 Ca -0.02 -1.05 -0.23 0.00 -0.37 0.00 0.00 57.07 55.40 2joe s TYR 75 Cb -0.20 -3.60 -0.21 0.00 -0.40 0.00 0.00 41.96 37.55 2joe s TYR 75 CO 0.01 -0.99 0.62 1.15 -1.57 0.00 0.00 175.55 174.78 2joe h THR 76 N 5.85 1.45 0.00 -0.71 2.02 -1.89 -3.49 112.91 116.13 2joe h THR 76 Ca -0.29 -2.08 0.00 0.00 0.77 0.00 0.00 66.41 64.81 2joe h THR 76 Cb 1.10 2.73 0.00 0.00 -1.74 0.00 0.00 68.15 70.24 2joe h THR 76 CO 0.99 0.49 0.00 -0.67 0.37 0.00 0.00 175.52 176.70 2joe n ASP 77 N -4.64 -0.14 -0.29 4.18 2.03 -1.26 -4.96 116.55 111.47 2joe n ASP 77 Ca -0.08 0.09 0.10 0.00 0.52 0.00 0.00 54.79 55.42 2joe n ASP 77 Cb 0.39 0.27 -0.04 0.00 -0.72 0.00 0.00 41.12 41.01 2joe n ASP 77 CO 0.00 0.00 0.00 1.07 -1.92 0.00 0.00 177.20 176.35 2joe n THR 78 N -1.91 0.00 -3.90 5.18 5.66 -1.26 -4.94 114.28 113.11 2joe n THR 78 Ca 0.00 -0.20 -0.11 0.00 -3.05 0.00 0.00 64.05 60.69 2joe n THR 78 Cb 0.00 1.15 -0.12 0.00 -1.55 0.00 0.00 70.33 69.81 2joe n THR 78 CO 0.00 0.00 0.00 -0.72 -3.05 0.00 0.00 175.07 171.30 2joe s TYR 79 N -2.48 0.07 -0.24 1.09 -0.85 -1.26 -1.75 117.35 111.93 2joe s TYR 79 Ca 0.13 -0.14 -0.07 0.00 -0.52 0.00 0.00 57.07 56.48 2joe s TYR 79 Cb 0.16 -0.07 -0.03 0.00 0.38 0.00 0.00 41.96 42.40 2joe s TYR 79 CO 0.62 -0.15 0.06 0.00 -1.52 0.00 0.00 175.55 174.55 2joe s ALA 80 N -0.84 3.13 -0.41 9.51 0.00 0.67 -2.42 121.76 131.39 2joe s ALA 80 Ca -0.09 -1.12 -0.16 0.00 0.00 0.00 0.00 51.96 50.59 2joe s ALA 80 Cb -0.06 -2.03 0.02 0.00 0.00 0.00 0.00 23.12 21.06 2joe s ALA 80 CO 0.00 -0.45 0.38 -0.65 0.00 0.00 0.00 175.76 175.04 2joe s GLN 81 N 1.55 3.07 -1.25 0.00 -0.21 0.65 -0.17 119.66 123.30 2joe s GLN 81 Ca 0.06 -0.84 -0.15 0.00 0.02 0.00 0.00 55.36 54.45 2joe s GLN 81 Cb -0.15 -3.97 0.14 0.00 1.00 0.00 0.00 33.01 30.03 2joe s GLN 81 CO 0.03 -0.80 1.56 -1.91 -2.12 0.00 0.00 175.29 172.04 2joe n GLU 82 N 5.43 3.31 -2.65 2.91 2.13 0.77 -0.59 120.64 131.96 2joe n GLU 82 Ca -0.09 -3.64 -0.42 0.00 0.66 0.00 0.00 57.16 53.67 2joe n GLU 82 Cb 0.47 -3.19 -0.03 0.00 0.27 0.00 0.00 31.44 28.96 2joe n GLU 82 CO 0.00 0.00 0.00 1.21 -0.41 0.00 0.00 177.13 177.93 2joe s ASN 83 N 3.24 6.29 -0.14 4.31 3.04 -0.36 -0.60 114.94 130.72 2joe s ASN 83 Ca 0.47 -0.33 -0.02 0.00 0.04 0.00 0.00 52.86 53.02 2joe s ASN 83 Cb -0.00 -2.52 -0.02 0.00 -1.54 0.00 0.00 41.25 37.17 2joe s ASN 83 CO 0.03 -1.57 -0.08 -0.69 -3.04 0.00 0.00 177.10 171.75 2joe s VAL 84 N 4.96 3.48 -0.40 -5.21 1.01 0.96 -1.05 120.40 124.15 2joe s VAL 84 Ca 0.35 -0.51 -0.05 0.00 0.00 0.00 0.00 61.98 61.76 2joe s VAL 84 Cb -0.10 -2.49 0.09 0.00 0.00 0.00 0.00 36.38 33.88 2joe s VAL 84 CO 0.18 0.52 0.20 -0.89 0.00 0.00 0.00 175.10 175.11 2joe s THR 85 N 0.27 3.65 -0.42 3.92 2.01 0.33 0.25 115.64 125.64 2joe s THR 85 Ca -0.06 -1.68 -0.13 0.00 0.31 0.00 0.00 61.69 60.13 2joe s THR 85 Cb -0.15 -3.32 0.05 0.00 0.01 0.00 0.00 72.50 69.09 2joe s THR 85 CO 0.04 -0.53 0.29 -0.63 -0.69 0.00 0.00 174.62 173.10 2joe s ILE 86 N 1.28 4.79 -0.26 1.82 1.09 0.81 -0.40 121.20 130.33 2joe s ILE 86 Ca 0.04 -1.02 -0.29 0.00 -1.10 0.00 0.00 60.65 58.28 2joe s ILE 86 Cb -0.23 -3.79 -0.02 0.00 -1.06 0.00 0.00 42.46 37.36 2joe s ILE 86 CO -0.01 -0.42 1.63 -1.81 -0.10 0.00 0.00 174.94 174.23 2joe s ASP 87 N 2.02 6.28 0.00 3.58 1.01 -1.25 -0.28 116.67 128.03 2joe s ASP 87 Ca 0.03 1.49 0.10 0.00 0.71 0.00 0.00 52.55 54.88 2joe s ASP 87 Cb -0.22 -2.53 0.45 0.00 1.01 0.00 0.00 42.92 41.63 2joe s ASP 87 CO 0.06 -1.36 1.31 0.23 0.21 0.00 0.00 175.17 175.62 2joe n MET 88 N 7.85 1.28 0.08 8.23 2.81 0.72 -3.11 117.12 134.97 2joe n MET 88 Ca 0.19 -0.43 -0.06 0.00 -1.81 0.00 0.00 57.70 55.59 2joe n MET 88 Cb 0.46 -1.19 -0.06 0.00 -0.71 0.00 0.00 33.22 31.72 2joe n MET 88 CO 0.00 0.00 0.00 0.93 1.51 0.00 0.00 175.97 178.41 2joe h GLU 89 N 0.76 0.01 -1.78 0.03 5.08 -1.74 -3.40 114.58 113.54 2joe h GLU 89 Ca 0.00 -0.01 -0.46 0.00 -1.00 0.00 0.00 59.36 57.89 2joe h GLU 89 Cb 0.17 0.00 -0.31 0.00 0.50 0.00 0.00 28.75 29.11 2joe h GLU 89 CO 0.00 0.93 -0.86 1.17 -1.00 0.00 0.00 179.01 179.25 2joe n LYS 90 N -3.44 0.43 -3.52 2.33 4.81 -1.18 -5.12 118.16 112.47 2joe n LYS 90 Ca -0.00 -2.82 -0.37 0.00 -0.87 0.00 0.00 58.31 54.25 2joe n LYS 90 Cb 0.88 -1.51 -0.07 0.00 0.02 0.00 0.00 35.03 34.36 2joe n LYS 90 CO 0.00 0.00 0.00 0.08 1.17 0.00 0.00 177.40 178.65 2joe s VAL 91 N 0.00 5.28 -1.16 3.15 1.01 -1.25 -4.30 120.40 123.12 2joe s VAL 91 Ca 0.33 0.61 -0.18 0.00 0.00 0.00 0.00 61.98 62.74 2joe s VAL 91 Cb 0.08 -3.66 0.10 0.00 0.00 0.00 0.00 36.38 32.91 2joe s VAL 91 CO -0.15 0.40 1.51 -0.62 0.00 0.00 0.00 175.10 176.24 2joe s ASP 92 N 0.32 6.80 0.63 3.32 -1.08 0.08 -4.82 116.67 121.92 2joe s ASP 92 Ca 0.18 -2.32 0.39 0.00 -0.52 0.00 0.00 52.55 50.29 2joe s ASP 92 Cb -0.13 -2.51 2.12 0.00 -1.46 0.00 0.00 42.92 40.94 2joe s ASP 92 CO 0.05 -1.12 2.28 -0.26 0.52 0.00 0.00 175.17 176.65 2joe h PHE 93 N 8.12 0.00 -0.13 -5.34 0.04 -1.95 0.17 116.94 117.84 2joe h PHE 93 Ca 0.32 0.00 -0.21 0.00 2.80 0.00 0.00 57.97 60.88 2joe h PHE 93 Cb 0.92 0.00 0.01 0.00 2.20 0.00 0.00 35.95 39.08 2joe h PHE 93 CO 1.27 0.01 -0.74 0.87 -0.60 0.00 0.00 178.31 179.12 2joe h LYS 94 N 0.00 0.74 0.00 1.51 1.57 -1.97 -2.92 116.57 115.50 2joe h LYS 94 Ca -0.00 -0.62 -0.07 0.00 -1.87 0.00 0.00 60.65 58.09 2joe h LYS 94 Cb 0.09 0.13 -0.01 0.00 0.08 0.00 0.00 32.23 32.53 2joe h LYS 94 CO 0.00 1.23 -0.34 0.00 -0.57 0.00 0.00 179.45 179.77 2joe h ALA 95 N 0.52 0.97 -0.02 3.86 0.00 -1.53 -2.89 119.26 120.18 2joe h ALA 95 Ca -0.06 -0.31 0.00 0.00 0.00 0.00 0.00 54.91 54.55 2joe h ALA 95 Cb 1.38 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 19.12 2joe h ALA 95 CO 0.15 0.42 0.01 1.25 0.00 0.00 0.00 179.25 181.09 2joe h LEU 96 N 0.00 0.00 0.00 0.00 5.85 -0.56 -1.28 115.31 119.32 2joe h LEU 96 Ca -0.00 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.72 2joe h LEU 96 Cb 0.90 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.93 2joe h LEU 96 CO 0.04 0.00 0.00 0.00 -0.34 0.00 0.00 178.44 178.14 2joe n GLN 97 N -4.13 0.21 0.13 1.25 1.13 -1.09 -0.85 117.38 114.03 2joe n GLN 97 Ca -0.03 0.13 0.09 0.00 -1.94 0.00 0.00 57.00 55.25 2joe n GLN 97 Cb 0.10 -1.50 0.03 0.00 0.11 0.00 0.00 30.24 28.99 2joe n GLN 97 CO 0.00 0.00 0.00 0.78 -1.44 0.00 0.00 177.06 176.40 2joe h GLY 98 N 1.78 0.00 0.00 1.08 0.00 -1.43 -3.38 103.07 101.12 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 0.00 0.00 0.00 0.29 0.00 0.00 0.00 176.54 176.83 2joe n ILE 99 N -2.88 0.42 -2.24 2.60 -5.35 -0.11 -4.96 119.36 106.84 2joe n ILE 99 Ca -0.00 -0.53 -0.39 0.00 -0.27 0.00 0.00 62.75 61.56 2joe n ILE 99 Cb 0.61 0.91 -0.02 0.00 -1.74 0.00 0.00 39.64 39.40 2joe n ILE 99 CO 0.00 0.00 0.00 -1.54 -1.76 0.00 0.00 176.55 173.25 2joe n SER 100 N -0.21 4.13 -2.46 7.28 3.41 -0.03 -4.70 113.62 121.04 2joe n SER 100 Ca 0.00 -2.83 -0.35 0.00 -0.26 0.00 0.00 58.87 55.43 2joe n SER 100 Cb 0.25 -1.69 0.06 0.00 -0.26 0.00 0.00 64.21 62.57 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 5.30 5.60 3.55 5.00 0.00 -1.26 -4.94 105.19 118.44 2joe n GLY 101 Ca 0.48 -2.25 -0.41 0.00 0.00 0.00 0.00 46.02 43.85 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 -4.62 3.73 -1.06 -0.61 1.01 -1.26 -4.94 121.20 113.45 2joe s ILE 102 Ca 0.59 0.19 -0.19 0.00 0.00 0.00 0.00 60.65 61.24 2joe s ILE 102 Cb 0.47 -4.87 0.10 0.00 0.01 0.00 0.00 42.46 38.17 2joe s ILE 102 CO -0.13 -1.80 1.38 0.20 0.00 0.00 0.00 174.94 174.60 2joe s ASN 103 N 4.28 6.69 0.00 3.58 -0.87 -1.26 -3.87 114.94 123.49 2joe s ASN 103 Ca 0.39 -2.05 0.00 0.00 -1.57 0.00 0.00 52.86 49.63 2joe s ASN 103 Cb -0.07 -2.49 0.00 0.00 -0.02 0.00 0.00 41.25 38.67 2joe s ASN 103 CO 0.11 -1.18 0.00 0.55 -2.57 0.00 0.00 177.10 174.01 2joe n VAL 104 N 5.98 0.00 -3.60 1.60 3.14 -1.26 -4.86 118.33 119.34 2joe n VAL 104 Ca 0.33 0.00 -0.04 0.00 -2.96 0.00 0.00 64.34 61.67 2joe n VAL 104 Cb 0.48 0.00 -0.02 0.00 -1.06 0.00 0.00 33.84 33.24 2joe n VAL 104 CO 0.00 0.00 0.00 -0.94 -6.46 0.00 0.00 176.83 169.43 2joe s SER 105 N -1.46 -0.13 0.06 6.55 1.04 -1.25 -4.95 113.70 113.56 2joe s SER 105 Ca 0.00 0.00 0.22 0.00 0.48 0.00 0.00 55.95 56.65 2joe s SER 105 Cb 0.00 0.14 -0.10 0.00 0.10 0.00 0.00 66.02 66.16 2joe s SER 105 CO 0.00 -0.22 0.85 0.00 0.98 0.00 0.00 173.24 174.85 2joe n ALA 106 N -0.09 3.10 0.22 5.32 0.00 -1.26 -4.21 120.51 123.59 2joe n ALA 106 Ca 0.01 -0.41 0.09 0.00 0.00 0.00 0.00 53.44 53.12 2joe n ALA 106 Cb 0.58 -0.92 0.48 0.00 0.00 0.00 0.00 19.45 19.59 2joe n ALA 106 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 2joe h GLU 107 N 0.00 0.00 0.18 0.00 5.08 -1.98 -2.21 114.58 115.65 2joe h GLU 107 Ca 0.00 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.35 2joe h GLU 107 Cb 0.86 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.11 2joe h GLU 107 CO 0.00 0.25 -0.09 0.22 -1.00 0.00 0.00 179.01 178.40 2joe h ASP 108 N 0.00 -0.20 -0.51 1.42 3.58 -1.98 0.43 116.42 119.15 2joe h ASP 108 Ca -0.00 -0.07 -0.09 0.00 0.42 0.00 0.00 57.03 57.29 2joe h ASP 108 Cb 0.68 0.05 -0.02 0.00 1.72 0.00 0.00 39.33 41.76 2joe h ASP 108 CO 0.03 -0.06 -0.02 0.00 -2.88 0.00 0.00 179.24 176.31 2joe h ALA 109 N 0.47 0.69 -0.53 -0.78 0.00 -1.77 -2.24 119.26 115.11 2joe h ALA 109 Ca -0.02 -0.30 -0.10 0.00 0.00 0.00 0.00 54.91 54.48 2joe h ALA 109 Cb 0.26 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.84 2joe h ALA 109 CO 0.04 0.53 -0.08 0.87 0.00 0.00 0.00 179.25 180.60 2joe h LYS 110 N 0.79 0.97 -0.01 0.00 1.57 -1.30 -2.89 116.57 115.69 2joe h LYS 110 Ca 0.14 -0.33 -0.13 0.00 -1.87 0.00 0.00 60.65 58.45 2joe h LYS 110 Cb 0.55 -0.07 -0.02 0.00 0.08 0.00 0.00 32.23 32.77 2joe h LYS 110 CO 0.03 1.00 -0.63 0.87 -0.57 0.00 0.00 179.45 180.15 2joe h LYS 111 N 0.87 0.02 0.00 3.15 6.56 -0.85 -3.49 116.57 122.82 2joe h LYS 111 Ca 0.14 -0.02 0.00 0.00 -1.06 0.00 0.00 60.65 59.72 2joe h LYS 111 Cb 0.63 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 32.29 2joe h LYS 111 CO 0.04 0.65 0.00 0.41 -2.06 0.00 0.00 179.45 178.49 2joe n GLY 112 N 0.29 1.23 3.68 3.86 0.00 -0.85 -5.01 105.19 108.40 2joe n GLY 112 Ca -0.01 -1.08 -0.42 0.00 0.00 0.00 0.00 46.02 44.51 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 2.84 0.38 -0.61 1.09 -1.23 -4.95 121.20 118.72 2joe s ILE 113 Ca 0.00 0.25 0.04 0.00 -1.10 0.00 0.00 60.65 59.83 2joe s ILE 113 Cb 0.00 -3.16 -0.04 0.00 -1.06 0.00 0.00 42.46 38.20 2joe s ILE 113 CO 0.00 -0.00 0.08 0.42 -0.10 0.00 0.00 174.94 175.33 2joe s THR 114 N 2.99 0.99 0.18 2.92 -4.23 -1.26 -4.61 115.64 112.61 2joe s THR 114 Ca 0.79 -2.00 -0.10 0.00 -1.18 0.00 0.00 61.69 59.20 2joe s THR 114 Cb -0.42 -2.56 0.06 0.00 1.34 0.00 0.00 72.50 70.91 2joe s THR 114 CO 0.35 0.00 1.63 -0.03 -0.54 0.00 0.00 174.62 176.03 2joe h MET 115 N 1.89 1.06 -0.27 3.99 4.05 -0.72 0.65 114.93 125.58 2joe h MET 115 Ca -0.39 -0.34 0.06 0.00 -0.28 0.00 0.00 59.70 58.74 2joe h MET 115 Cb 1.26 -0.09 -0.05 0.00 -0.80 0.00 0.00 31.60 31.92 2joe h MET 115 CO 0.66 1.04 -0.08 0.00 0.23 0.00 0.00 176.91 178.75 2joe h ALA 116 N 0.98 0.16 0.50 0.39 0.00 -1.95 -1.61 119.26 117.74 2joe h ALA 116 Ca 0.17 0.11 -0.02 0.00 0.00 0.00 0.00 54.91 55.16 2joe h ALA 116 Cb 0.57 0.23 0.00 0.00 0.00 0.00 0.00 17.79 18.59 2joe h ALA 116 CO 0.03 -0.48 -0.26 1.96 0.00 0.00 0.00 179.25 180.50 2joe h GLN 117 N -0.02 -0.68 -0.96 0.00 4.20 -1.85 -2.82 115.11 112.98 2joe h GLN 117 Ca 0.13 0.05 0.16 0.00 0.06 0.00 0.00 58.65 59.05 2joe h GLN 117 Cb 0.22 0.15 -0.16 0.00 0.30 0.00 0.00 27.48 28.00 2joe h GLN 117 CO -0.29 -0.45 -0.34 -1.33 -0.67 0.00 0.00 178.83 175.75 2joe n MET 118 N -3.98 -0.19 0.10 1.46 2.81 0.19 0.45 117.12 117.95 2joe n MET 118 Ca -0.09 1.48 -0.13 0.00 -1.81 0.00 0.00 57.70 57.15 2joe n MET 118 Cb 0.28 -2.20 -0.07 0.00 -0.71 0.00 0.00 33.22 30.52 2joe n MET 118 CO 0.00 0.00 0.00 0.93 1.51 0.00 0.00 175.97 178.41 2joe h GLU 119 N 0.00 -0.15 0.00 0.03 4.39 -1.32 0.23 114.58 117.76 2joe h GLU 119 Ca 0.36 0.01 -0.10 0.00 0.34 0.00 0.00 59.36 59.97 2joe h GLU 119 Cb 0.60 0.03 -0.01 0.00 -0.10 0.00 0.00 28.75 29.27 2joe h GLU 119 CO -0.96 -0.10 -0.48 -0.07 -1.16 0.00 0.00 179.01 176.24 2joe h LEU 120 N -0.16 0.00 0.22 1.33 3.38 -0.86 -2.64 115.31 116.58 2joe h LEU 120 Ca -0.02 0.00 -0.32 0.00 0.09 0.00 0.00 57.88 57.63 2joe h LEU 120 Cb 0.12 0.00 0.03 0.00 0.09 0.00 0.00 40.66 40.90 2joe h LEU 120 CO 0.03 0.48 -1.41 0.58 0.09 0.00 0.00 178.44 178.21 2joe h VAL 121 N 0.00 1.33 -0.65 1.22 2.07 0.24 0.11 116.25 120.57 2joe h VAL 121 Ca -0.00 -2.76 -0.04 0.00 0.82 0.00 0.00 66.70 64.71 2joe h VAL 121 Cb 1.11 2.99 -0.03 0.00 -1.52 0.00 0.00 31.29 33.85 2joe h VAL 121 CO 0.06 0.82 0.25 0.24 0.02 0.00 0.00 177.57 178.97 2joe h MET 122 N 0.14 0.97 -0.65 1.57 2.86 -0.57 -1.42 114.93 117.84 2joe h MET 122 Ca -0.22 -0.18 -0.06 0.00 -2.06 0.00 0.00 59.70 57.17 2joe h MET 122 Cb 2.11 -0.16 -0.03 0.00 0.06 0.00 0.00 31.60 33.58 2joe h MET 122 CO 0.26 0.82 0.15 -0.22 1.06 0.00 0.00 176.91 178.98 2joe h LYS 123 N 0.92 1.02 -0.19 1.72 1.63 -1.39 0.16 116.57 120.44 2joe h LYS 123 Ca 0.22 -0.23 -0.01 0.00 -0.85 0.00 0.00 60.65 59.77 2joe h LYS 123 Cb 0.22 -0.14 -0.01 0.00 -0.60 0.00 0.00 32.23 31.70 2joe h LYS 123 CO -0.02 0.91 0.06 0.00 -3.45 0.00 0.00 179.45 176.95 2joe h ALA 124 N 1.19 0.25 -0.07 5.00 0.00 -0.43 -2.94 119.26 122.26 2joe h ALA 124 Ca 0.21 -0.13 -0.14 0.00 0.00 0.00 0.00 54.91 54.85 2joe h ALA 124 Cb 0.35 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.05 2joe h ALA 124 CO 0.00 -0.14 -0.57 0.00 0.00 0.00 0.00 179.25 178.55 2joe h ALA 125 N 0.89 0.92 -0.16 0.00 0.00 -1.16 -3.47 119.26 116.28 2joe h ALA 125 Ca 0.06 -0.52 0.00 0.00 0.00 0.00 0.00 54.91 54.45 2joe h ALA 125 Cb 0.21 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.92 2joe h ALA 125 CO -0.00 0.70 0.00 0.41 0.00 0.00 0.00 179.25 180.36 2joe n GLY 126 N 0.17 1.10 3.82 0.00 0.00 0.32 -5.09 105.19 105.51 2joe n GLY 126 Ca -0.02 -0.14 -0.35 0.00 0.00 0.00 0.00 46.02 45.52 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 -2.16 3.52 -0.21 1.61 0.08 0.22 -5.02 117.98 116.01 2joe s PHE 127 Ca 0.00 1.44 -0.08 0.00 0.12 0.00 0.00 56.93 58.41 2joe s PHE 127 Cb 0.00 -2.68 -0.04 0.00 -0.57 0.00 0.00 43.02 39.73 2joe s PHE 127 CO 0.00 0.17 0.08 0.21 -0.10 0.00 0.00 175.22 175.58 2joe s LYS 128 N -2.49 3.87 0.39 0.44 2.20 -1.26 -4.68 119.74 118.21 2joe s LYS 128 Ca 0.51 -0.38 -0.25 0.00 -0.36 0.00 0.00 55.97 55.48 2joe s LYS 128 Cb -0.14 -3.30 -0.09 0.00 -1.51 0.00 0.00 37.83 32.80 2joe s LYS 128 CO 0.19 0.07 1.11 -1.21 -0.36 0.00 0.00 175.35 175.16 2joe s GLU 129 N 0.93 4.12 -0.19 4.03 2.02 -1.26 -1.45 118.70 126.90 2joe s GLU 129 Ca 0.04 1.70 0.09 0.00 0.02 0.00 0.00 54.97 56.82 2joe s GLU 129 Cb -0.14 -2.64 -0.18 0.00 0.10 0.00 0.00 34.13 31.27 2joe s GLU 129 CO 0.03 -0.22 -0.05 0.28 0.02 0.00 0.00 175.26 175.32 2joe n VAL 130 N 0.07 1.21 -2.07 2.63 0.31 -0.45 -4.80 118.33 115.23 2joe n VAL 130 Ca 0.04 -0.62 -0.19 0.00 -0.01 0.00 0.00 64.34 63.56 2joe n VAL 130 Cb 0.48 -0.86 -0.04 0.00 -0.91 0.00 0.00 33.84 32.51 2joe n VAL 130 CO 0.00 0.00 0.00 0.29 -1.32 0.00 0.00 176.83 175.80 2joe n LYS 131 N -2.85 -1.65 -2.32 5.55 5.02 -0.05 -3.89 118.16 117.97 2joe n LYS 131 Ca -0.33 1.01 -0.04 0.00 -2.02 0.00 0.00 58.31 56.93 2joe n LYS 131 Cb 0.99 -5.54 -0.04 0.00 -0.02 0.00 0.00 35.03 30.42 2joe n LYS 131 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 2joe n LEU 132 N -2.69 -5.15 -4.88 -0.35 4.77 -1.26 -4.88 117.00 102.56 2joe n LEU 132 Ca -0.21 1.79 -0.25 0.00 -0.03 0.00 0.00 56.01 57.30 2joe n LEU 132 Cb 0.66 -2.74 -0.02 0.00 -2.33 0.00 0.00 43.42 38.99 2joe n LEU 132 CO 0.27 -3.07 0.03 -0.70 -1.33 0.00 0.00 177.39 172.59 2joe s GLU 133 N -0.76 2.29 -0.93 3.23 -6.30 -1.25 -4.82 118.70 110.16 2joe s GLU 133 Ca -0.22 -1.94 -0.04 0.00 -2.50 0.00 0.00 54.97 50.27 2joe s GLU 133 Cb 0.01 -2.13 -0.05 0.00 0.00 0.00 0.00 34.13 31.97 2joe s GLU 133 CO 0.59 -0.52 0.83 0.72 0.02 0.00 0.00 175.26 176.90 2joe n HIS 134 N -1.69 -2.57 -2.70 5.30 8.25 -1.26 -4.98 115.22 115.58 2joe n HIS 134 Ca -0.01 0.92 -0.33 0.00 -0.26 0.00 0.00 57.72 58.04 2joe n HIS 134 Cb 0.64 -4.08 -0.06 0.00 1.12 0.00 0.00 29.99 27.61 2joe n HIS 134 CO 0.00 0.00 0.00 -1.01 0.64 0.00 0.00 176.34 175.97 2joe s HIS 135 N -3.26 3.20 0.00 4.41 3.76 -1.26 -4.75 115.29 117.38 2joe s HIS 135 Ca 0.31 1.59 0.00 0.00 -0.15 0.00 0.00 55.06 56.81 2joe s HIS 135 Cb -0.04 -2.93 0.00 0.00 1.11 0.00 0.00 32.58 30.72 2joe s HIS 135 CO 0.73 -0.38 0.00 1.58 -0.85 0.00 0.00 174.74 175.81 2joe n HIS 136 N -0.79 0.00 0.00 1.40 -0.00 -1.26 -4.49 115.22 110.07 2joe n HIS 136 Ca 0.08 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.80 2joe n HIS 136 Cb 0.53 0.00 0.00 0.00 -0.00 0.00 0.00 29.99 30.52 2joe n HIS 136 CO 0.00 0.00 0.00 0.72 -0.00 0.00 0.00 176.34 177.06 2joe n HIS 137 N 0.00 0.00 0.04 1.57 8.25 -1.26 -5.01 115.22 118.81 2joe n HIS 137 Ca 0.00 0.00 -0.03 0.00 -0.26 0.00 0.00 57.72 57.43 2joe n HIS 137 Cb 0.00 0.00 -0.01 0.00 1.12 0.00 0.00 29.99 31.10 2joe n HIS 137 CO 0.00 0.00 0.00 1.25 0.64 0.00 0.00 176.34 178.23 2joe h HIS 138 N 0.00 -0.16 0.00 4.41 -0.00 -1.99 -3.51 115.15 113.91 2joe h HIS 138 Ca 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 60.37 60.37 2joe h HIS 138 Cb 0.00 0.05 0.00 0.00 -0.00 0.00 0.00 27.41 27.46 2joe h HIS 138 CO 0.00 -0.10 0.00 0.72 -0.00 0.00 0.00 177.93 178.55