#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 2.66 3.52 -5.12 0.00 -1.26 -5.01 105.19 99.98 2joe n GLY 2 Ca 0.00 -0.79 -0.42 0.00 0.00 0.00 0.00 46.02 44.81 2joe n GLY 2 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2joe s ASP 3 N 0.00 6.25 -0.13 1.61 1.01 -1.26 -4.98 116.67 119.17 2joe s ASP 3 Ca 0.00 -0.84 0.02 0.00 0.71 0.00 0.00 52.55 52.45 2joe s ASP 3 Cb 0.00 -2.52 -0.00 0.00 1.01 0.00 0.00 42.92 41.41 2joe s ASP 3 CO 0.00 -1.65 -0.20 -0.75 0.21 0.00 0.00 175.17 172.78 2joe s LYS 4 N 5.06 3.14 -0.09 8.23 2.20 -1.26 -5.08 119.74 131.94 2joe s LYS 4 Ca 0.34 -0.81 -0.40 0.00 -0.36 0.00 0.00 55.97 54.74 2joe s LYS 4 Cb -0.08 -2.47 -0.18 0.00 -1.51 0.00 0.00 37.83 33.59 2joe s LYS 4 CO 0.08 0.10 1.35 0.39 -0.36 0.00 0.00 175.35 176.91 2joe n GLU 5 N 3.79 0.57 -3.79 4.03 4.71 -1.26 -4.92 120.64 123.77 2joe n GLU 5 Ca -0.19 0.21 -0.35 0.00 -0.01 0.00 0.00 57.16 56.82 2joe n GLU 5 Cb 0.52 -1.79 -0.08 0.00 -1.01 0.00 0.00 31.44 29.08 2joe n GLU 5 CO 0.00 0.00 0.00 -1.21 0.09 0.00 0.00 177.13 176.01 2joe s GLU 6 N 1.19 4.14 -0.17 3.49 2.02 0.10 -4.94 118.70 124.54 2joe s GLU 6 Ca 0.92 -0.25 -0.06 0.00 0.02 0.00 0.00 54.97 55.60 2joe s GLU 6 Cb -1.17 -3.38 -0.04 0.00 0.10 0.00 0.00 34.13 29.65 2joe s GLU 6 CO 0.59 0.29 0.04 -1.12 0.02 0.00 0.00 175.26 175.08 2joe s SER 7 N 0.38 5.48 -0.03 -0.19 0.01 -1.26 -0.11 113.70 117.98 2joe s SER 7 Ca 0.07 0.07 -0.00 0.00 1.31 0.00 0.00 55.95 57.40 2joe s SER 7 Cb -0.11 -1.89 0.03 0.00 0.21 0.00 0.00 66.02 64.25 2joe s SER 7 CO -0.01 0.20 0.03 -0.75 0.41 0.00 0.00 173.24 173.12 2joe s LYS 8 N 0.18 0.08 0.01 12.44 2.20 -0.15 -4.89 119.74 129.62 2joe s LYS 8 Ca 0.03 0.19 0.07 0.00 -0.36 0.00 0.00 55.97 55.90 2joe s LYS 8 Cb -0.13 -0.40 -0.03 0.00 -1.51 0.00 0.00 37.83 35.76 2joe s LYS 8 CO 0.01 -0.20 -0.21 0.21 -0.36 0.00 0.00 175.35 174.80 2joe s LYS 9 N 1.31 2.10 0.06 4.03 2.20 -1.24 -0.63 119.74 127.58 2joe s LYS 9 Ca -0.06 -0.94 0.05 0.00 -0.36 0.00 0.00 55.97 54.66 2joe s LYS 9 Cb -0.13 -2.15 -0.03 0.00 -1.51 0.00 0.00 37.83 34.02 2joe s LYS 9 CO -0.03 0.55 -0.15 -0.59 -0.36 0.00 0.00 175.35 174.78 2joe s PHE 10 N -0.80 1.26 -0.11 4.03 -0.71 -0.80 0.69 117.98 121.54 2joe s PHE 10 Ca 0.12 -0.42 -0.03 0.00 -1.04 0.00 0.00 56.93 55.56 2joe s PHE 10 Cb -0.10 -0.72 0.04 0.00 -1.21 0.00 0.00 43.02 41.03 2joe s PHE 10 CO 0.02 0.06 0.05 0.45 -1.34 0.00 0.00 175.22 174.46 2joe s SER 11 N -1.56 1.90 -0.22 1.98 0.15 -0.72 -0.51 113.70 114.72 2joe s SER 11 Ca -0.00 -0.31 0.02 0.00 0.70 0.00 0.00 55.95 56.35 2joe s SER 11 Cb -0.09 -0.33 0.05 0.00 -1.71 0.00 0.00 66.02 63.94 2joe s SER 11 CO 0.02 -0.27 -0.11 0.00 1.20 0.00 0.00 173.24 174.08 2joe s ALA 12 N 2.05 2.21 -0.47 5.45 0.00 -0.18 -4.32 121.76 126.50 2joe s ALA 12 Ca 0.03 -1.41 -0.24 0.00 0.00 0.00 0.00 51.96 50.34 2joe s ALA 12 Cb -0.14 -1.39 0.03 0.00 0.00 0.00 0.00 23.12 21.62 2joe s ALA 12 CO -0.06 -0.95 0.86 1.21 0.00 0.00 0.00 175.76 176.81 2joe s ASN 13 N 1.29 6.43 -0.12 0.00 3.84 -1.26 -2.49 114.94 122.63 2joe s ASN 13 Ca -0.04 -0.08 0.01 0.00 0.21 0.00 0.00 52.86 52.96 2joe s ASN 13 Cb -0.18 -2.42 0.02 0.00 -0.55 0.00 0.00 41.25 38.13 2joe s ASN 13 CO -0.07 -1.01 -0.14 -1.48 -2.79 0.00 0.00 177.10 171.61 2joe s LEU 14 N 3.55 1.62 0.00 3.21 0.05 -1.07 -4.82 118.68 121.22 2joe s LEU 14 Ca 0.32 -0.43 0.00 0.00 0.05 0.00 0.00 54.13 54.07 2joe s LEU 14 Cb -0.11 -1.08 0.00 0.00 -2.05 0.00 0.00 46.19 42.94 2joe s LEU 14 CO 0.23 -0.03 0.00 -3.20 -0.55 0.00 0.00 176.35 172.80 2joe n ASN 15 N 4.54 0.00 0.00 1.48 2.85 -1.26 -1.79 115.26 121.07 2joe n ASN 15 Ca -0.17 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.30 2joe n ASN 15 Cb 0.51 0.00 0.00 0.00 1.24 0.00 0.00 39.78 41.53 2joe n ASN 15 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 2joe n GLY 16 N 0.00 0.05 3.53 8.20 0.00 -1.26 -4.85 105.19 110.87 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 0.00 4.53 -0.78 2.61 -4.23 -0.74 -3.14 115.64 113.88 2joe s THR 17 Ca 0.00 0.38 -0.21 0.00 -1.18 0.00 0.00 61.69 60.68 2joe s THR 17 Cb 0.00 -4.43 0.09 0.00 1.34 0.00 0.00 72.50 69.50 2joe s THR 17 CO 0.00 -0.90 1.06 -1.61 -0.54 0.00 0.00 174.62 172.63 2joe s GLU 18 N 3.60 3.32 -0.47 3.99 2.02 -0.12 -2.59 118.70 128.44 2joe s GLU 18 Ca 0.31 -1.16 -0.18 0.00 0.02 0.00 0.00 54.97 53.96 2joe s GLU 18 Cb -0.12 -4.55 0.05 0.00 0.10 0.00 0.00 34.13 29.61 2joe s GLU 18 CO 0.22 -1.84 0.50 0.42 0.02 0.00 0.00 175.26 174.58 2joe s ILE 19 N 3.69 5.04 -0.35 -1.63 1.01 -1.04 -0.30 121.20 127.62 2joe s ILE 19 Ca 0.28 -0.58 -0.01 0.00 0.00 0.00 0.00 60.65 60.34 2joe s ILE 19 Cb -0.11 -4.16 0.08 0.00 0.01 0.00 0.00 42.46 38.28 2joe s ILE 19 CO 0.02 -0.61 0.08 0.00 0.00 0.00 0.00 174.94 174.42 2joe s ALA 20 N 2.22 2.94 -0.37 9.38 0.00 -0.01 -1.01 121.76 134.92 2joe s ALA 20 Ca 0.11 -2.21 -0.13 0.00 0.00 0.00 0.00 51.96 49.73 2joe s ALA 20 Cb -0.20 -2.10 -0.00 0.00 0.00 0.00 0.00 23.12 20.83 2joe s ALA 20 CO 0.11 -1.55 0.26 0.42 0.00 0.00 0.00 175.76 175.00 2joe s ILE 21 N 1.13 5.21 -0.80 0.00 1.01 0.33 -2.13 121.20 125.95 2joe s ILE 21 Ca 0.03 -0.43 -0.19 0.00 0.00 0.00 0.00 60.65 60.06 2joe s ILE 21 Cb -0.21 -3.77 0.13 0.00 0.01 0.00 0.00 42.46 38.62 2joe s ILE 21 CO -0.04 -0.13 0.95 -0.89 0.00 0.00 0.00 174.94 174.83 2joe s THR 22 N 1.69 4.83 -0.14 2.92 2.01 0.90 -1.90 115.64 125.94 2joe s THR 22 Ca 0.05 -1.41 -0.06 0.00 0.31 0.00 0.00 61.69 60.59 2joe s THR 22 Cb -0.18 -4.65 -0.04 0.00 0.01 0.00 0.00 72.50 67.64 2joe s THR 22 CO 0.10 -1.34 0.08 -0.72 -0.69 0.00 0.00 174.62 172.04 2joe s TYR 23 N 2.50 3.36 -0.28 4.92 1.13 0.20 -1.42 117.35 127.76 2joe s TYR 23 Ca 0.24 0.28 -0.08 0.00 -1.41 0.00 0.00 57.07 56.10 2joe s TYR 23 Cb -0.12 -1.96 -0.02 0.00 -1.10 0.00 0.00 41.96 38.76 2joe s TYR 23 CO -0.03 0.45 0.11 0.08 -2.51 0.00 0.00 175.55 173.64 2joe s VAL 24 N -0.44 4.45 0.38 -3.49 1.01 0.14 -0.98 120.40 121.47 2joe s VAL 24 Ca 0.10 -0.27 0.08 0.00 0.00 0.00 0.00 61.98 61.89 2joe s VAL 24 Cb -0.12 -3.17 -0.04 0.00 0.00 0.00 0.00 36.38 33.05 2joe s VAL 24 CO 0.02 0.22 0.19 -0.72 0.00 0.00 0.00 175.10 174.81 2joe s TYR 25 N 1.62 2.66 -0.34 5.22 1.13 0.84 -0.28 117.35 128.20 2joe s TYR 25 Ca 0.05 -0.49 0.00 0.00 -1.41 0.00 0.00 57.07 55.23 2joe s TYR 25 Cb -0.16 -1.85 0.14 0.00 -1.10 0.00 0.00 41.96 38.99 2joe s TYR 25 CO 0.05 0.21 0.27 0.21 -2.51 0.00 0.00 175.55 173.78 2joe s LYS 26 N -3.91 0.48 5.96 -3.49 2.20 0.11 0.02 119.74 121.11 2joe s LYS 26 Ca 0.41 -0.85 0.00 0.00 -0.36 0.00 0.00 55.97 55.17 2joe s LYS 26 Cb 0.00 -0.97 0.00 0.00 -1.51 0.00 0.00 37.83 35.35 2joe s LYS 26 CO 0.23 -1.15 0.00 0.41 -0.36 0.00 0.00 175.35 174.49 2joe n GLY 27 N 4.51 1.81 0.31 5.54 0.00 -1.26 -3.54 105.19 112.56 2joe n GLY 27 Ca 0.07 -0.50 0.09 0.00 0.00 0.00 0.00 46.02 45.68 2joe n GLY 27 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2joe n ASP 28 N 7.89 1.54 -4.53 1.61 5.75 -1.26 -4.91 116.55 122.65 2joe n ASP 28 Ca 0.00 -1.27 -0.34 0.00 -0.01 0.00 0.00 54.79 53.17 2joe n ASP 28 Cb 0.00 0.62 -0.12 0.00 -1.03 0.00 0.00 41.12 40.59 2joe n ASP 28 CO 0.00 0.00 0.00 -0.75 -0.11 0.00 0.00 177.20 176.34 2joe s LYS 29 N -2.30 3.28 -0.14 0.11 2.20 -1.23 -1.10 119.74 120.56 2joe s LYS 29 Ca 0.13 -0.54 -0.29 0.00 -0.36 0.00 0.00 55.97 54.92 2joe s LYS 29 Cb 0.15 -2.77 -0.01 0.00 -1.51 0.00 0.00 37.83 33.69 2joe s LYS 29 CO 0.55 0.42 1.00 0.08 -0.36 0.00 0.00 175.35 177.04 2joe s VAL 30 N -0.13 4.77 -0.40 4.02 1.01 -1.26 0.04 120.40 128.45 2joe s VAL 30 Ca 0.02 2.00 0.14 0.00 0.00 0.00 0.00 61.98 64.14 2joe s VAL 30 Cb -0.13 -4.29 -0.18 0.00 0.00 0.00 0.00 36.38 31.78 2joe s VAL 30 CO 0.03 -0.04 0.48 0.18 0.00 0.00 0.00 175.10 175.75 2joe n LEU 31 N 5.35 0.39 -3.74 3.92 4.77 0.62 -4.69 117.00 123.62 2joe n LEU 31 Ca 0.09 -0.30 -0.13 0.00 -0.03 0.00 0.00 56.01 55.64 2joe n LEU 31 Cb 0.48 0.00 -0.10 0.00 -2.33 0.00 0.00 43.42 41.47 2joe n LEU 31 CO 0.52 0.10 0.05 -0.75 -1.33 0.00 0.00 177.39 175.98 2joe s LYS 32 N -2.59 0.44 -0.27 3.23 2.20 -0.11 -1.32 119.74 121.32 2joe s LYS 32 Ca 0.01 0.54 -0.00 0.00 -0.36 0.00 0.00 55.97 56.16 2joe s LYS 32 Cb 0.10 0.21 0.08 0.00 -1.51 0.00 0.00 37.83 36.71 2joe s LYS 32 CO 0.58 -0.06 0.03 -1.14 -0.36 0.00 0.00 175.35 174.40 2joe s GLN 33 N 0.24 1.12 -0.70 4.03 0.74 0.71 0.24 119.66 126.05 2joe s GLN 33 Ca -0.00 -1.03 -0.18 0.00 0.05 0.00 0.00 55.36 54.19 2joe s GLN 33 Cb -0.03 -2.38 0.13 0.00 1.10 0.00 0.00 33.01 31.83 2joe s GLN 33 CO 0.00 -0.78 0.81 0.45 -0.55 0.00 0.00 175.29 175.22 2joe s SER 34 N 1.49 6.36 -0.73 6.67 0.15 -0.51 -0.17 113.70 126.97 2joe s SER 34 Ca 0.02 -1.73 -0.16 0.00 0.70 0.00 0.00 55.95 54.78 2joe s SER 34 Cb -0.18 -2.31 0.16 0.00 -1.71 0.00 0.00 66.02 61.98 2joe s SER 34 CO -0.13 -1.04 0.75 -0.94 1.20 0.00 0.00 173.24 173.08 2joe s SER 35 N 3.41 6.48 -0.40 5.45 1.04 0.28 -0.07 113.70 129.89 2joe s SER 35 Ca 0.17 -2.11 -0.17 0.00 0.48 0.00 0.00 55.95 54.32 2joe s SER 35 Cb -0.18 -2.26 0.01 0.00 0.10 0.00 0.00 66.02 63.70 2joe s SER 35 CO 0.01 -0.83 0.46 -0.70 0.98 0.00 0.00 173.24 173.16 2joe s GLU 36 N 1.43 3.27 -0.31 4.02 2.12 -0.90 -1.21 118.70 127.13 2joe s GLU 36 Ca 0.15 -0.57 -0.06 0.00 0.36 0.00 0.00 54.97 54.85 2joe s GLU 36 Cb -0.17 -3.91 0.02 0.00 0.26 0.00 0.00 34.13 30.32 2joe s GLU 36 CO -0.03 -0.79 0.08 0.99 -0.54 0.00 0.00 175.26 174.98 2joe s THR 37 N 2.24 3.86 -0.64 -1.70 2.01 -0.11 -0.83 115.64 120.47 2joe s THR 37 Ca 0.14 -0.84 -0.18 0.00 0.31 0.00 0.00 61.69 61.12 2joe s THR 37 Cb -0.16 -3.05 0.12 0.00 0.01 0.00 0.00 72.50 69.41 2joe s THR 37 CO 0.14 0.01 0.74 -0.75 -0.69 0.00 0.00 174.62 174.07 2joe s LYS 38 N 1.46 3.13 -0.35 4.92 2.20 0.59 -0.59 119.74 131.10 2joe s LYS 38 Ca 0.01 -1.46 -0.17 0.00 -0.36 0.00 0.00 55.97 53.99 2joe s LYS 38 Cb -0.18 -4.33 -0.00 0.00 -1.51 0.00 0.00 37.83 31.80 2joe s LYS 38 CO 0.02 -1.54 0.48 0.42 -0.36 0.00 0.00 175.35 174.37 2joe s ILE 39 N 2.47 5.05 0.52 5.43 1.09 0.01 -0.95 121.20 134.81 2joe s ILE 39 Ca 0.14 0.26 -0.21 0.00 -1.10 0.00 0.00 60.65 59.73 2joe s ILE 39 Cb -0.22 -3.94 -0.06 0.00 -1.06 0.00 0.00 42.46 37.19 2joe s ILE 39 CO 0.04 -0.20 1.21 -1.10 -0.10 0.00 0.00 174.94 174.79 2joe s GLN 40 N 2.31 3.40 0.61 2.79 -1.52 -1.19 -0.15 119.66 125.92 2joe s GLN 40 Ca 0.17 1.87 0.39 0.00 -1.95 0.00 0.00 55.36 55.83 2joe s GLN 40 Cb -0.16 -2.22 1.94 0.00 -0.22 0.00 0.00 33.01 32.35 2joe s GLN 40 CO 0.13 -0.87 2.20 0.74 -0.25 0.00 0.00 175.29 177.25 2joe h PHE 41 N 1.56 0.00 0.00 0.91 0.04 -1.38 -1.76 116.94 116.32 2joe h PHE 41 Ca -0.50 0.00 -0.12 0.00 2.80 0.00 0.00 57.97 60.15 2joe h PHE 41 Cb 1.27 0.00 -0.02 0.00 2.20 0.00 0.00 35.95 39.40 2joe h PHE 41 CO 0.50 0.02 -0.59 0.00 -0.60 0.00 0.00 178.31 177.63 2joe h ALA 42 N 1.98 0.84 0.01 2.45 0.00 -1.84 -0.94 119.26 121.78 2joe h ALA 42 Ca -0.00 -0.54 -0.31 0.00 0.00 0.00 0.00 54.91 54.06 2joe h ALA 42 Cb 0.22 -0.09 -0.05 0.00 0.00 0.00 0.00 17.79 17.86 2joe h ALA 42 CO 0.00 0.74 -1.82 -1.13 0.00 0.00 0.00 179.25 177.04 2joe n SER 43 N -3.57 0.94 0.05 0.00 3.41 -0.70 -4.06 113.62 109.68 2joe n SER 43 Ca -0.00 0.34 -0.08 0.00 -0.26 0.00 0.00 58.87 58.87 2joe n SER 43 Cb 0.65 -0.05 -0.13 0.00 -0.26 0.00 0.00 64.21 64.43 2joe n SER 43 CO 0.00 0.00 0.00 -0.29 -0.16 0.00 0.00 175.04 174.59 2joe h ILE 44 N 0.01 1.56 0.00 -1.33 2.10 -1.51 -3.48 117.51 114.86 2joe h ILE 44 Ca -0.33 -3.28 0.00 0.00 1.08 0.00 0.00 64.86 62.33 2joe h ILE 44 Cb 2.04 2.80 0.00 0.00 -1.09 0.00 0.00 36.82 40.57 2joe h ILE 44 CO 0.07 0.90 0.00 0.61 -1.08 0.00 0.00 178.15 178.65 2joe n GLY 45 N 1.40 1.04 3.78 8.18 0.00 -0.43 -5.07 105.19 114.10 2joe n GLY 45 Ca -0.04 -0.47 -0.38 0.00 0.00 0.00 0.00 46.02 45.14 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 3.57 -0.74 4.61 0.00 -0.77 -4.96 121.76 121.47 2joe s ALA 46 Ca 0.00 -0.11 0.18 0.00 0.00 0.00 0.00 51.96 52.03 2joe s ALA 46 Cb 0.00 -2.58 -0.21 0.00 0.00 0.00 0.00 23.12 20.33 2joe s ALA 46 CO 0.00 0.26 0.72 2.41 0.00 0.00 0.00 175.76 179.15 2joe n THR 47 N 2.53 0.00 -3.56 0.00 -1.04 -1.26 -4.69 114.28 106.26 2joe n THR 47 Ca -0.10 -0.12 -0.11 0.00 -2.04 0.00 0.00 64.05 61.68 2joe n THR 47 Cb 0.52 0.87 -0.04 0.00 -1.82 0.00 0.00 70.33 69.86 2joe n THR 47 CO 0.00 0.00 0.00 -0.89 -0.64 0.00 0.00 175.07 173.54 2joe s THR 48 N -2.79 0.04 0.11 12.58 2.01 -1.26 -5.00 115.64 121.33 2joe s THR 48 Ca 0.05 -0.36 -0.30 0.00 0.31 0.00 0.00 61.69 61.39 2joe s THR 48 Cb 0.13 -1.09 -0.11 0.00 0.01 0.00 0.00 72.50 71.45 2joe s THR 48 CO 0.75 -0.20 1.61 0.50 -0.69 0.00 0.00 174.62 176.59 2joe h LYS 49 N 2.31 -0.63 -0.14 4.92 3.64 -1.94 0.24 116.57 124.97 2joe h LYS 49 Ca -0.34 0.04 -0.03 0.00 -1.27 0.00 0.00 60.65 59.06 2joe h LYS 49 Cb 1.27 0.14 -0.01 0.00 -0.41 0.00 0.00 32.23 33.22 2joe h LYS 49 CO 0.43 -0.42 -0.06 1.49 -2.27 0.00 0.00 179.45 178.63 2joe h GLU 50 N -0.65 0.20 -0.62 1.90 4.22 -1.99 -1.00 114.58 116.64 2joe h GLU 50 Ca 0.01 -0.03 -0.05 0.00 0.08 0.00 0.00 59.36 59.36 2joe h GLU 50 Cb 0.64 -0.03 -0.03 0.00 0.50 0.00 0.00 28.75 29.83 2joe h GLU 50 CO -0.16 0.27 0.19 0.22 -2.18 0.00 0.00 179.01 177.35 2joe h ASP 51 N 0.20 0.91 -0.52 1.04 3.58 -1.79 -1.51 116.42 118.32 2joe h ASP 51 Ca 0.04 -0.21 -0.07 0.00 0.42 0.00 0.00 57.03 57.21 2joe h ASP 51 Cb 0.23 -0.24 -0.02 0.00 1.72 0.00 0.00 39.33 41.02 2joe h ASP 51 CO 0.01 0.88 0.05 0.00 -2.88 0.00 0.00 179.24 177.30 2joe h ALA 52 N 1.06 1.03 -0.83 -0.78 0.00 0.23 -2.85 119.26 117.12 2joe h ALA 52 Ca 0.20 -0.26 0.03 0.00 0.00 0.00 0.00 54.91 54.87 2joe h ALA 52 Cb 0.30 -0.22 -0.05 0.00 0.00 0.00 0.00 17.79 17.82 2joe h ALA 52 CO -0.00 0.61 0.54 0.00 0.00 0.00 0.00 179.25 180.39 2joe h ALA 53 N 1.18 1.09 -0.00 0.00 0.00 -0.64 0.59 119.26 121.47 2joe h ALA 53 Ca 0.17 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.05 2joe h ALA 53 Cb 0.44 -0.29 -0.00 0.00 0.00 0.00 0.00 17.79 17.94 2joe h ALA 53 CO 0.02 0.37 0.04 0.87 0.00 0.00 0.00 179.25 180.55 2joe h LYS 54 N 1.04 0.00 0.01 0.00 1.57 -1.05 0.24 116.57 118.39 2joe h LYS 54 Ca 0.33 0.00 -0.37 0.00 -1.87 0.00 0.00 60.65 58.74 2joe h LYS 54 Cb -0.00 0.00 -0.07 0.00 0.08 0.00 0.00 32.23 32.24 2joe h LYS 54 CO -0.11 0.00 -2.36 2.41 -0.57 0.00 0.00 179.45 178.82 2joe n THR 55 N -3.14 1.46 0.02 -0.16 -1.04 -0.32 -4.57 114.28 106.53 2joe n THR 55 Ca -0.03 -0.74 -0.13 0.00 -2.04 0.00 0.00 64.05 61.11 2joe n THR 55 Cb 0.11 -0.90 -0.14 0.00 -1.82 0.00 0.00 70.33 67.58 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 0.20 -0.12 -4.42 3.38 -0.28 -3.35 115.31 110.71 2joe h LEU 56 Ca -0.54 -0.34 0.04 0.00 0.09 0.00 0.00 57.88 57.14 2joe h LEU 56 Cb 2.10 -0.06 -0.05 0.00 0.09 0.00 0.00 40.66 42.73 2joe h LEU 56 CO -0.01 1.29 -0.20 -0.33 0.09 0.00 0.00 178.44 179.29 2joe h GLU 57 N 0.03 -0.24 0.00 1.13 4.39 -0.78 0.28 114.58 119.39 2joe h GLU 57 Ca -0.26 0.02 0.00 0.00 0.34 0.00 0.00 59.36 59.45 2joe h GLU 57 Cb 1.99 0.05 0.00 0.00 -0.10 0.00 0.00 28.75 30.70 2joe h GLU 57 CO 0.11 -0.16 0.00 -0.35 -1.16 0.00 0.00 179.01 177.45 2joe n PRO 58 N -5.33 0.09 -0.09 2.33 -0.04 -1.26 -2.10 135.00 128.59 2joe n PRO 58 Ca -0.03 0.17 -0.14 0.00 -0.04 0.00 0.00 63.50 63.46 2joe n PRO 58 Cb 0.25 -1.50 -0.07 0.00 -0.04 0.00 0.00 33.50 32.14 2joe n PRO 58 CO 0.00 0.00 0.00 -0.11 -0.04 0.00 0.00 175.50 175.35 2joe n LEU 59 N -1.43 1.84 0.26 1.53 0.00 -0.14 -4.23 117.00 114.83 2joe n LEU 59 Ca 0.06 0.52 0.12 0.00 0.00 0.00 0.00 56.01 56.70 2joe n LEU 59 Cb 0.18 -0.91 0.70 0.00 0.00 0.00 0.00 43.42 43.39 2joe n LEU 59 CO 0.15 -0.07 0.96 0.28 0.00 0.00 0.00 177.39 178.71 2joe h SER 60 N -1.00 0.00 0.39 1.96 0.02 -0.56 -1.53 113.55 112.83 2joe h SER 60 Ca -0.20 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.75 2joe h SER 60 Cb 0.95 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.49 2joe h SER 60 CO -0.12 0.13 0.00 0.00 -1.14 0.00 0.00 176.83 175.70 2joe n ALA 61 N -2.29 1.52 0.22 3.77 0.00 -0.89 -1.32 120.51 121.52 2joe n ALA 61 Ca -0.02 -0.04 0.10 0.00 0.00 0.00 0.00 53.44 53.49 2joe n ALA 61 Cb 0.25 -1.19 0.45 0.00 0.00 0.00 0.00 19.45 18.97 2joe n ALA 61 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 2joe h LYS 62 N 0.00 0.00 -0.96 0.00 1.57 -1.44 -2.68 116.57 113.05 2joe h LYS 62 Ca 0.00 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.77 2joe h LYS 62 Cb 0.20 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.50 2joe h LYS 62 CO 0.00 0.21 0.02 0.66 -0.57 0.00 0.00 179.45 179.77 2joe n TYR 63 N -3.36 0.28 -1.54 -1.35 4.01 -0.43 -4.86 117.16 109.90 2joe n TYR 63 Ca 0.00 -0.22 -0.15 0.00 -0.16 0.00 0.00 57.90 57.36 2joe n TYR 63 Cb 0.43 -0.19 -0.11 0.00 -0.31 0.00 0.00 39.34 39.16 2joe n TYR 63 CO 0.00 0.00 0.00 1.17 -0.46 0.00 0.00 176.86 177.57 2joe n LYS 64 N 0.13 0.41 -4.01 -0.72 4.81 -1.01 -3.01 118.16 114.76 2joe n LYS 64 Ca 0.04 -0.63 -0.28 0.00 -0.87 0.00 0.00 58.31 56.57 2joe n LYS 64 Cb 0.43 -3.00 -0.02 0.00 0.02 0.00 0.00 35.03 32.46 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 15.32 -1.29 -0.04 3.14 2.85 -1.26 -4.87 115.26 129.12 2joe n ASN 65 Ca 0.53 -0.99 -0.12 0.00 -0.11 0.00 0.00 54.58 53.88 2joe n ASN 65 Cb 0.35 -3.04 -0.07 0.00 1.24 0.00 0.00 39.78 38.27 2joe n ASN 65 CO 0.00 0.00 0.00 0.40 -2.11 0.00 0.00 177.26 175.55 2joe h ILE 66 N -1.78 1.24 -0.28 -1.44 2.04 -1.87 -3.48 117.51 111.95 2joe h ILE 66 Ca -0.62 -0.76 0.00 0.00 1.00 0.00 0.00 64.86 64.48 2joe h ILE 66 Cb 1.38 1.52 0.00 0.00 -0.74 0.00 0.00 36.82 38.97 2joe h ILE 66 CO 0.66 0.22 0.00 0.00 0.00 0.00 0.00 178.15 179.03 2joe n ALA 67 N -2.28 0.00 -0.90 1.87 0.00 -1.26 -4.22 120.51 113.71 2joe n ALA 67 Ca -0.06 0.00 -0.17 0.00 0.00 0.00 0.00 53.44 53.21 2joe n ALA 67 Cb 0.19 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 19.54 2joe n ALA 67 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2joe n GLY 68 N 0.00 3.01 3.52 0.00 0.00 -1.26 -4.86 105.19 105.59 2joe n GLY 68 Ca 0.00 -1.07 -0.43 0.00 0.00 0.00 0.00 46.02 44.52 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 1.77 4.64 -0.33 1.61 -7.23 -1.25 -3.77 120.40 115.85 2joe s VAL 69 Ca 0.56 0.18 -0.18 0.00 -1.81 0.00 0.00 61.98 60.73 2joe s VAL 69 Cb 0.23 -4.36 -0.01 0.00 0.56 0.00 0.00 36.38 32.80 2joe s VAL 69 CO -0.02 -0.83 0.49 -1.61 -0.31 0.00 0.00 175.10 172.83 2joe s GLU 70 N 3.29 3.71 -0.30 4.82 0.41 0.42 -4.89 118.70 126.15 2joe s GLU 70 Ca 0.26 -0.09 -0.08 0.00 -0.41 0.00 0.00 54.97 54.65 2joe s GLU 70 Cb -0.14 -3.77 0.00 0.00 -1.78 0.00 0.00 34.13 28.44 2joe s GLU 70 CO 0.19 -0.57 0.11 -1.83 -0.49 0.00 0.00 175.26 172.68 2joe s GLU 71 N 2.34 3.22 -0.39 1.61 4.04 -1.26 -0.32 118.70 127.94 2joe s GLU 71 Ca 0.18 -0.78 -0.01 0.00 0.04 0.00 0.00 54.97 54.40 2joe s GLU 71 Cb -0.16 -3.46 0.11 0.00 0.02 0.00 0.00 34.13 30.65 2joe s GLU 71 CO 0.12 -0.42 0.16 0.15 -1.84 0.00 0.00 175.26 173.43 2joe s LYS 72 N 1.55 1.84 -0.73 -4.83 3.01 -0.63 -4.99 119.74 114.97 2joe s LYS 72 Ca 0.04 -1.85 -0.24 0.00 -1.01 0.00 0.00 55.97 52.90 2joe s LYS 72 Cb -0.17 -3.47 0.05 0.00 -1.01 0.00 0.00 37.83 33.23 2joe s LYS 72 CO 0.04 -1.03 1.15 -0.51 0.51 0.00 0.00 175.35 175.51 2joe s LEU 73 N 1.04 3.79 -0.27 3.17 1.43 -1.26 -1.09 118.68 125.50 2joe s LEU 73 Ca 0.09 -0.83 -0.09 0.00 -1.03 0.00 0.00 54.13 52.27 2joe s LEU 73 Cb -0.22 -2.49 -0.04 0.00 0.03 0.00 0.00 46.19 43.47 2joe s LEU 73 CO -0.05 -1.61 0.14 0.42 0.23 0.00 0.00 176.35 175.47 2joe s THR 74 N 4.83 4.84 -0.43 5.49 -4.23 -0.64 -4.95 115.64 120.55 2joe s THR 74 Ca 0.30 -0.01 -0.09 0.00 -1.18 0.00 0.00 61.69 60.72 2joe s THR 74 Cb -0.11 -3.30 0.09 0.00 1.34 0.00 0.00 72.50 70.52 2joe s THR 74 CO 0.10 0.28 0.28 -0.31 -0.54 0.00 0.00 174.62 174.43 2joe s TYR 75 N 1.69 3.38 -0.00 3.99 2.02 -1.26 -0.29 117.35 126.88 2joe s TYR 75 Ca 0.07 -1.70 -0.00 0.00 -0.37 0.00 0.00 57.07 55.07 2joe s TYR 75 Cb -0.16 -3.13 -0.00 0.00 -0.40 0.00 0.00 41.96 38.27 2joe s TYR 75 CO 0.08 -0.90 0.04 1.15 -1.57 0.00 0.00 175.55 174.35 2joe h THR 76 N 6.12 0.00 0.00 -0.71 2.02 -1.90 -3.49 112.91 114.94 2joe h THR 76 Ca -0.22 -0.02 0.00 0.00 0.77 0.00 0.00 66.41 66.94 2joe h THR 76 Cb 1.08 0.00 0.00 0.00 -1.74 0.00 0.00 68.15 67.49 2joe h THR 76 CO 0.78 0.00 0.00 -0.90 0.37 0.00 0.00 175.52 175.77 2joe n ASP 77 N -2.06 -1.39 0.00 4.18 5.75 -1.26 -4.96 116.55 116.81 2joe n ASP 77 Ca -0.00 0.31 0.00 0.00 -0.01 0.00 0.00 54.79 55.09 2joe n ASP 77 Cb 0.00 1.60 0.00 0.00 -1.03 0.00 0.00 41.12 41.69 2joe n ASP 77 CO 0.00 0.00 0.00 0.35 -0.11 0.00 0.00 177.20 177.44 2joe n THR 78 N -2.80 0.92 -3.63 2.12 -2.24 -1.26 -4.81 114.28 102.57 2joe n THR 78 Ca 0.00 -0.93 -0.13 0.00 -2.27 0.00 0.00 64.05 60.72 2joe n THR 78 Cb 0.00 0.54 -0.06 0.00 -2.10 0.00 0.00 70.33 68.71 2joe n THR 78 CO 0.00 0.00 0.00 -0.72 -0.57 0.00 0.00 175.07 173.78 2joe s TYR 79 N -0.92 -0.32 -0.21 4.78 1.13 -1.26 -0.99 117.35 119.55 2joe s TYR 79 Ca 0.00 0.33 -0.01 0.00 -1.41 0.00 0.00 57.07 55.98 2joe s TYR 79 Cb 0.00 0.26 0.02 0.00 -1.10 0.00 0.00 41.96 41.14 2joe s TYR 79 CO 0.00 -0.59 -0.11 0.00 -2.51 0.00 0.00 175.55 172.34 2joe s ALA 80 N -2.39 2.57 -0.55 9.51 0.00 0.79 -2.49 121.76 129.20 2joe s ALA 80 Ca -0.06 -1.31 -0.17 0.00 0.00 0.00 0.00 51.96 50.42 2joe s ALA 80 Cb -0.01 -1.48 0.12 0.00 0.00 0.00 0.00 23.12 21.74 2joe s ALA 80 CO -0.02 -0.55 0.57 -1.14 0.00 0.00 0.00 175.76 174.62 2joe s GLN 81 N 1.34 3.01 -0.88 0.00 0.74 0.61 -0.81 119.66 123.66 2joe s GLN 81 Ca 0.03 -1.54 -0.21 0.00 0.05 0.00 0.00 55.36 53.69 2joe s GLN 81 Cb -0.15 -4.28 0.09 0.00 1.10 0.00 0.00 33.01 29.78 2joe s GLN 81 CO -0.08 -1.38 1.18 -2.00 -0.55 0.00 0.00 175.29 172.46 2joe s GLU 82 N 1.99 3.47 -0.62 1.67 2.12 0.24 -1.63 118.70 125.96 2joe s GLU 82 Ca 0.06 -1.34 -0.24 0.00 0.36 0.00 0.00 54.97 53.81 2joe s GLU 82 Cb -0.27 -4.84 0.05 0.00 0.26 0.00 0.00 34.13 29.32 2joe s GLU 82 CO 0.04 -1.91 1.00 1.21 -0.54 0.00 0.00 175.26 175.07 2joe s ASN 83 N 3.97 6.26 -0.08 -1.70 3.04 -0.25 -0.94 114.94 125.24 2joe s ASN 83 Ca 0.34 -0.58 -0.05 0.00 0.04 0.00 0.00 52.86 52.60 2joe s ASN 83 Cb -0.06 -2.45 -0.04 0.00 -1.54 0.00 0.00 41.25 37.16 2joe s ASN 83 CO -0.04 -1.40 0.15 -0.69 -3.04 0.00 0.00 177.10 172.08 2joe s VAL 84 N 4.27 5.46 -0.31 -5.21 1.01 -0.35 -1.61 120.40 123.67 2joe s VAL 84 Ca 0.28 0.08 -0.01 0.00 0.00 0.00 0.00 61.98 62.34 2joe s VAL 84 Cb -0.13 -3.43 0.10 0.00 0.00 0.00 0.00 36.38 32.91 2joe s VAL 84 CO 0.16 0.52 0.09 -0.89 0.00 0.00 0.00 175.10 174.98 2joe s THR 85 N -1.12 0.92 -0.14 3.92 2.01 0.57 -0.56 115.64 121.24 2joe s THR 85 Ca 0.19 -1.42 -0.06 0.00 0.31 0.00 0.00 61.69 60.71 2joe s THR 85 Cb -0.12 -1.69 -0.04 0.00 0.01 0.00 0.00 72.50 70.65 2joe s THR 85 CO 0.09 -0.67 0.09 -0.63 -0.69 0.00 0.00 174.62 172.81 2joe s ILE 86 N 1.60 5.06 -0.01 1.82 1.01 0.76 -0.43 121.20 131.01 2joe s ILE 86 Ca 0.10 0.05 -0.18 0.00 0.00 0.00 0.00 60.65 60.61 2joe s ILE 86 Cb -0.17 -3.22 -0.05 0.00 0.01 0.00 0.00 42.46 39.02 2joe s ILE 86 CO -0.24 0.56 0.52 1.51 0.00 0.00 0.00 174.94 177.28 2joe s ASP 87 N -0.50 6.90 -0.26 3.58 -4.77 -1.25 -0.21 116.67 120.17 2joe s ASP 87 Ca 0.11 1.07 0.08 0.00 -3.30 0.00 0.00 52.55 50.51 2joe s ASP 87 Cb -0.12 -2.32 0.62 0.00 -1.09 0.00 0.00 42.92 40.01 2joe s ASP 87 CO 0.02 0.17 1.60 0.23 0.70 0.00 0.00 175.17 177.89 2joe n MET 88 N 2.50 3.33 -0.10 2.11 2.81 -0.43 -3.39 117.12 123.94 2joe n MET 88 Ca -0.09 -2.51 -0.18 0.00 -1.81 0.00 0.00 57.70 53.11 2joe n MET 88 Cb 0.51 -2.06 -0.08 0.00 -0.71 0.00 0.00 33.22 30.88 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 -0.02 0.46 -0.13 0.03 -0.58 -1.26 -4.57 120.64 114.56 2joe n GLU 89 Ca 0.33 0.16 0.12 0.00 -0.42 0.00 0.00 57.16 57.34 2joe n GLU 89 Cb 1.19 -1.30 0.23 0.00 -0.57 0.00 0.00 31.44 30.99 2joe n GLU 89 CO 0.00 0.00 0.00 1.17 -0.48 0.00 0.00 177.13 177.82 2joe n LYS 90 N -3.54 2.33 -1.41 3.49 4.81 -1.25 -4.96 118.16 117.62 2joe n LYS 90 Ca -0.38 -1.99 -0.53 0.00 -0.87 0.00 0.00 58.31 54.54 2joe n LYS 90 Cb 0.82 -1.49 -0.08 0.00 0.02 0.00 0.00 35.03 34.30 2joe n LYS 90 CO 0.00 0.00 0.00 1.33 1.17 0.00 0.00 177.40 179.90 2joe n VAL 91 N 1.24 0.15 -2.84 3.15 0.24 -1.22 -4.56 118.33 114.49 2joe n VAL 91 Ca 0.18 -0.20 -0.43 0.00 -2.04 0.00 0.00 64.34 61.85 2joe n VAL 91 Cb 0.55 -1.39 -0.04 0.00 -1.47 0.00 0.00 33.84 31.50 2joe n VAL 91 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 2joe s ASP 92 N 6.89 6.22 0.29 -1.34 -1.08 -1.26 -4.86 116.67 121.53 2joe s ASP 92 Ca 1.11 -1.08 0.25 0.00 -0.52 0.00 0.00 52.55 52.32 2joe s ASP 92 Cb -1.00 -2.43 0.99 0.00 -1.46 0.00 0.00 42.92 39.02 2joe s ASP 92 CO 0.53 -1.43 1.75 -0.26 0.52 0.00 0.00 175.17 176.28 2joe h PHE 93 N 9.53 0.00 -0.08 -5.34 0.04 -1.96 -0.96 116.94 118.18 2joe h PHE 93 Ca -0.23 0.00 -0.12 0.00 2.80 0.00 0.00 57.97 60.41 2joe h PHE 93 Cb 1.06 0.00 0.01 0.00 2.20 0.00 0.00 35.95 39.22 2joe h PHE 93 CO 1.00 0.00 -0.43 -0.22 -0.60 0.00 0.00 178.31 178.06 2joe h LYS 94 N 0.00 0.43 -0.43 1.51 3.11 -1.97 -0.26 116.57 118.96 2joe h LYS 94 Ca 0.00 -0.36 -0.14 0.00 -2.81 0.00 0.00 60.65 57.34 2joe h LYS 94 Cb 0.45 0.08 -0.01 0.00 -1.00 0.00 0.00 32.23 31.75 2joe h LYS 94 CO 0.00 1.00 -0.27 0.00 -2.81 0.00 0.00 179.45 177.37 2joe h ALA 95 N 0.44 0.71 0.00 5.00 0.00 -1.92 -2.86 119.26 120.63 2joe h ALA 95 Ca -0.03 -0.41 -0.01 0.00 0.00 0.00 0.00 54.91 54.46 2joe h ALA 95 Cb 1.09 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 18.73 2joe h ALA 95 CO 0.09 0.67 -0.07 -0.07 0.00 0.00 0.00 179.25 179.87 2joe h LEU 96 N 0.78 0.00 -0.98 0.00 3.38 -1.13 -3.04 115.31 114.33 2joe h LEU 96 Ca 0.09 0.00 0.19 0.00 0.09 0.00 0.00 57.88 58.25 2joe h LEU 96 Cb 0.83 0.00 -0.11 0.00 0.09 0.00 0.00 40.66 41.48 2joe h LEU 96 CO 0.07 0.07 0.57 -0.61 0.09 0.00 0.00 178.44 178.64 2joe h GLN 97 N 0.00 0.70 -0.22 1.13 4.15 -0.79 0.20 115.11 120.28 2joe h GLN 97 Ca -0.00 -0.04 0.00 0.00 0.77 0.00 0.00 58.65 59.38 2joe h GLN 97 Cb 0.27 -0.16 0.00 0.00 0.21 0.00 0.00 27.48 27.81 2joe h GLN 97 CO 0.01 0.46 0.00 0.41 -1.93 0.00 0.00 178.83 177.78 2joe n GLY 98 N -1.33 0.84 0.00 2.39 0.00 -1.15 -4.00 105.19 101.95 2joe n GLY 98 Ca 0.22 -0.56 0.00 0.00 0.00 0.00 0.00 46.02 45.68 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 0.82 0.56 -2.14 -0.61 5.41 0.42 -5.00 119.36 118.82 2joe n ILE 99 Ca 0.17 -0.60 -0.39 0.00 1.00 0.00 0.00 62.75 62.93 2joe n ILE 99 Cb 0.46 0.76 -0.03 0.00 -0.71 0.00 0.00 39.64 40.12 2joe n ILE 99 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 176.55 176.11 2joe s SER 100 N -0.56 5.43 -0.06 4.38 0.01 0.40 -4.79 113.70 118.52 2joe s SER 100 Ca 0.00 0.18 0.12 0.00 1.31 0.00 0.00 55.95 57.55 2joe s SER 100 Cb 0.00 -2.54 0.43 0.00 0.21 0.00 0.00 66.02 64.13 2joe s SER 100 CO 0.00 -2.28 1.30 0.61 0.41 0.00 0.00 173.24 173.28 2joe n GLY 101 N 5.65 1.59 3.57 3.44 0.00 -1.26 -4.75 105.19 113.44 2joe n GLY 101 Ca 0.17 -0.51 -0.42 0.00 0.00 0.00 0.00 46.02 45.26 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 -1.66 4.04 -1.47 -0.61 1.09 -1.26 -4.87 121.20 116.45 2joe s ILE 102 Ca 0.31 -1.47 -0.12 0.00 -1.10 0.00 0.00 60.65 58.26 2joe s ILE 102 Cb 0.19 -5.14 0.03 0.00 -1.06 0.00 0.00 42.46 36.48 2joe s ILE 102 CO 0.16 -1.99 2.35 -3.20 -0.10 0.00 0.00 174.94 172.16 2joe n ASN 103 N 8.61 5.16 0.00 3.58 2.85 -1.26 -3.55 115.26 130.65 2joe n ASN 103 Ca 0.43 -2.82 0.00 0.00 -0.11 0.00 0.00 54.58 52.08 2joe n ASN 103 Cb 0.48 -1.61 0.00 0.00 1.24 0.00 0.00 39.78 39.89 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 4.48 0.00 -3.25 3.44 0.31 -1.26 -5.05 118.33 117.00 2joe n VAL 104 Ca 0.57 0.00 0.03 0.00 -0.01 0.00 0.00 64.34 64.93 2joe n VAL 104 Cb 0.35 -0.74 -0.02 0.00 -0.91 0.00 0.00 33.84 32.52 2joe n VAL 104 CO 0.00 0.00 0.00 -0.55 -1.32 0.00 0.00 176.83 174.96 2joe s SER 105 N -4.40 -0.94 0.38 4.52 0.15 -1.23 -5.02 113.70 107.16 2joe s SER 105 Ca 0.00 0.77 0.16 0.00 0.70 0.00 0.00 55.95 57.57 2joe s SER 105 Cb 0.00 1.86 0.78 0.00 -1.71 0.00 0.00 66.02 66.96 2joe s SER 105 CO 0.00 -0.18 1.83 0.00 1.20 0.00 0.00 173.24 176.09 2joe h ALA 106 N 7.92 1.27 0.00 5.45 0.00 -1.97 -2.19 119.26 129.74 2joe h ALA 106 Ca -0.18 -0.33 0.00 0.00 0.00 0.00 0.00 54.91 54.40 2joe h ALA 106 Cb 1.15 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.88 2joe h ALA 106 CO 0.10 0.45 0.00 0.93 0.00 0.00 0.00 179.25 180.73 2joe h GLU 107 N 0.00 0.00 0.14 0.00 3.07 -1.95 -1.71 114.58 114.14 2joe h GLU 107 Ca -0.00 0.00 -0.24 0.00 -0.50 0.00 0.00 59.36 58.62 2joe h GLU 107 Cb 0.69 0.00 0.03 0.00 -0.84 0.00 0.00 28.75 28.63 2joe h GLU 107 CO 0.05 0.00 -1.03 -0.44 -1.40 0.00 0.00 179.01 176.19 2joe h ASP 108 N 0.00 0.66 -0.34 1.42 5.19 -1.75 -2.85 116.42 118.75 2joe h ASP 108 Ca 0.00 -0.89 -0.09 0.00 -0.62 0.00 0.00 57.03 55.43 2joe h ASP 108 Cb 0.40 -0.21 -0.02 0.00 0.18 0.00 0.00 39.33 39.68 2joe h ASP 108 CO 0.00 1.49 -0.12 0.00 -3.12 0.00 0.00 179.24 177.49 2joe h ALA 109 N 0.18 0.99 -0.25 3.45 0.00 -1.48 -2.27 119.26 119.88 2joe h ALA 109 Ca -0.17 -0.32 -0.01 0.00 0.00 0.00 0.00 54.91 54.41 2joe h ALA 109 Cb 1.77 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 19.38 2joe h ALA 109 CO 0.20 0.60 0.13 0.87 0.00 0.00 0.00 179.25 181.04 2joe h LYS 110 N 0.70 0.33 -0.42 0.00 1.57 -1.38 -1.54 116.57 115.85 2joe h LYS 110 Ca 0.12 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.87 2joe h LYS 110 Cb 0.60 -0.07 0.00 0.00 0.08 0.00 0.00 32.23 32.84 2joe h LYS 110 CO 0.04 0.26 0.00 1.17 -0.57 0.00 0.00 179.45 180.35 2joe n LYS 111 N -4.46 2.08 0.00 3.15 3.00 -0.89 -5.03 118.16 116.00 2joe n LYS 111 Ca 0.01 -1.66 0.00 0.00 -0.00 0.00 0.00 58.31 56.66 2joe n LYS 111 Cb 0.10 -1.39 0.00 0.00 0.00 0.00 0.00 35.03 33.74 2joe n LYS 111 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 2joe n GLY 112 N 1.26 -2.00 3.47 3.14 0.00 -0.58 -4.97 105.19 105.52 2joe n GLY 112 Ca 0.16 -1.47 -0.34 0.00 0.00 0.00 0.00 46.02 44.38 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 -3.18 3.73 0.36 -0.61 -1.09 -1.26 -4.56 121.20 114.58 2joe s ILE 113 Ca 0.00 -0.42 0.04 0.00 -2.23 0.00 0.00 60.65 58.04 2joe s ILE 113 Cb 0.00 -2.62 -0.05 0.00 -1.58 0.00 0.00 42.46 38.20 2joe s ILE 113 CO 0.00 0.50 0.07 0.42 -1.23 0.00 0.00 174.94 174.70 2joe s THR 114 N 0.37 1.11 0.22 2.92 -4.23 -1.26 -4.67 115.64 110.11 2joe s THR 114 Ca -0.05 -2.00 0.03 0.00 -1.18 0.00 0.00 61.69 58.49 2joe s THR 114 Cb -0.15 -2.68 -0.06 0.00 1.34 0.00 0.00 72.50 70.95 2joe s THR 114 CO 0.03 0.00 1.52 -0.03 -0.54 0.00 0.00 174.62 175.61 2joe h MET 115 N 1.99 0.26 -0.86 3.99 4.05 -1.43 -2.25 114.93 120.68 2joe h MET 115 Ca -0.40 -0.19 0.03 0.00 -0.28 0.00 0.00 59.70 58.86 2joe h MET 115 Cb 1.25 0.03 -0.05 0.00 -0.80 0.00 0.00 31.60 32.04 2joe h MET 115 CO 0.68 0.82 0.56 0.00 0.23 0.00 0.00 176.91 179.19 2joe h ALA 116 N 1.13 1.13 0.61 0.39 0.00 -1.94 -0.90 119.26 119.69 2joe h ALA 116 Ca -0.01 -0.04 -0.03 0.00 0.00 0.00 0.00 54.91 54.83 2joe h ALA 116 Cb 1.17 -0.30 0.01 0.00 0.00 0.00 0.00 17.79 18.66 2joe h ALA 116 CO 0.10 0.41 -0.29 1.96 0.00 0.00 0.00 179.25 181.43 2joe h GLN 117 N 1.09 -0.79 -1.10 0.00 4.20 -1.90 -2.80 115.11 113.81 2joe h GLN 117 Ca 0.34 0.05 0.31 0.00 0.06 0.00 0.00 58.65 59.41 2joe h GLN 117 Cb -0.01 0.18 -0.10 0.00 0.30 0.00 0.00 27.48 27.84 2joe h GLN 117 CO -0.11 -0.53 0.71 0.52 -0.67 0.00 0.00 178.83 178.75 2joe h MET 118 N -0.99 0.31 0.41 1.46 2.86 -1.25 0.46 114.93 118.19 2joe h MET 118 Ca -0.08 -0.02 -0.02 0.00 -2.06 0.00 0.00 59.70 57.52 2joe h MET 118 Cb 0.63 -0.07 0.00 0.00 0.06 0.00 0.00 31.60 32.22 2joe h MET 118 CO 0.14 0.20 -0.20 0.93 1.06 0.00 0.00 176.91 179.04 2joe h GLU 119 N 0.31 -0.53 0.16 1.72 4.39 -1.16 -2.00 114.58 117.47 2joe h GLU 119 Ca 0.65 0.04 -0.01 0.00 0.34 0.00 0.00 59.36 60.37 2joe h GLU 119 Cb 1.76 0.12 0.00 0.00 -0.10 0.00 0.00 28.75 30.53 2joe h GLU 119 CO -0.32 -0.35 -0.08 -0.07 -1.16 0.00 0.00 179.01 177.02 2joe h LEU 120 N -0.59 -0.18 -0.70 1.33 3.38 -1.02 -2.67 115.31 114.86 2joe h LEU 120 Ca -0.06 -0.09 0.08 0.00 0.09 0.00 0.00 57.88 57.90 2joe h LEU 120 Cb 0.42 0.05 -0.06 0.00 0.09 0.00 0.00 40.66 41.16 2joe h LEU 120 CO 0.09 -0.02 0.37 0.58 0.09 0.00 0.00 178.44 179.55 2joe h VAL 121 N -0.33 0.91 -0.29 1.22 2.07 -0.26 0.30 116.25 119.86 2joe h VAL 121 Ca -0.02 -0.22 -0.14 0.00 0.82 0.00 0.00 66.70 67.14 2joe h VAL 121 Cb 0.26 0.20 -0.01 0.00 -1.52 0.00 0.00 31.29 30.22 2joe h VAL 121 CO 0.04 0.12 -0.38 0.24 0.02 0.00 0.00 177.57 177.61 2joe h MET 122 N 0.65 0.67 0.00 1.57 2.86 -1.33 0.52 114.93 119.88 2joe h MET 122 Ca 0.33 -0.34 -0.04 0.00 -2.06 0.00 0.00 59.70 57.59 2joe h MET 122 Cb 0.28 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 31.94 2joe h MET 122 CO -0.23 0.94 -0.19 0.87 1.06 0.00 0.00 176.91 179.36 2joe h LYS 123 N 0.56 0.00 0.08 1.72 1.57 -1.03 0.98 116.57 120.45 2joe h LYS 123 Ca 0.05 0.00 -0.15 0.00 -1.87 0.00 0.00 60.65 58.68 2joe h LYS 123 Cb 0.90 0.00 0.02 0.00 0.08 0.00 0.00 32.23 33.23 2joe h LYS 123 CO 0.08 0.19 -0.65 0.00 -0.57 0.00 0.00 179.45 178.51 2joe h ALA 124 N 1.81 -0.03 0.00 3.86 0.00 0.22 -3.31 119.26 121.81 2joe h ALA 124 Ca -0.00 -0.63 -0.04 0.00 0.00 0.00 0.00 54.91 54.24 2joe h ALA 124 Cb 0.75 0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.60 2joe h ALA 124 CO 0.02 0.31 -0.20 0.00 0.00 0.00 0.00 179.25 179.39 2joe h ALA 125 N 0.15 1.20 0.00 0.00 0.00 0.20 -3.46 119.26 117.35 2joe h ALA 125 Ca -0.10 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.63 2joe h ALA 125 Cb 1.45 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.21 2joe h ALA 125 CO 0.12 0.25 0.00 0.41 0.00 0.00 0.00 179.25 180.03 2joe n GLY 126 N -0.36 0.92 3.80 0.00 0.00 -0.13 -5.05 105.19 104.37 2joe n GLY 126 Ca -0.01 -0.57 -0.34 0.00 0.00 0.00 0.00 46.02 45.10 2joe n GLY 126 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2joe s PHE 127 N -2.00 3.00 -0.69 1.61 0.08 0.15 -4.99 117.98 115.15 2joe s PHE 127 Ca 0.00 1.58 -0.16 0.00 0.12 0.00 0.00 56.93 58.47 2joe s PHE 127 Cb 0.00 -3.06 0.16 0.00 -0.57 0.00 0.00 43.02 39.55 2joe s PHE 127 CO 0.00 -0.82 0.69 0.15 -0.10 0.00 0.00 175.22 175.14 2joe s LYS 128 N -3.24 3.29 -0.00 0.44 1.02 -1.26 -4.74 119.74 115.24 2joe s LYS 128 Ca 0.67 -1.95 -0.30 0.00 0.02 0.00 0.00 55.97 54.40 2joe s LYS 128 Cb -0.16 -4.39 -0.06 0.00 -0.52 0.00 0.00 37.83 32.70 2joe s LYS 128 CO 0.20 -1.38 1.49 -1.21 -0.92 0.00 0.00 175.35 173.53 2joe s GLU 129 N 1.28 4.25 -0.71 1.68 0.41 -1.26 -1.76 118.70 122.58 2joe s GLU 129 Ca 0.13 2.07 -0.08 0.00 -0.41 0.00 0.00 54.97 56.68 2joe s GLU 129 Cb -0.19 -3.65 0.19 0.00 -1.78 0.00 0.00 34.13 28.70 2joe s GLU 129 CO -0.02 -0.66 0.58 0.08 -0.49 0.00 0.00 175.26 174.75 2joe s VAL 130 N 2.75 4.55 -0.64 2.63 1.01 0.22 -4.95 120.40 125.97 2joe s VAL 130 Ca 0.67 -2.75 -0.27 0.00 0.00 0.00 0.00 61.98 59.63 2joe s VAL 130 Cb -0.33 -3.88 0.03 0.00 0.00 0.00 0.00 36.38 32.20 2joe s VAL 130 CO 0.28 -0.94 1.20 -1.59 0.00 0.00 0.00 175.10 174.04 2joe s LYS 131 N 0.03 3.38 -0.14 2.72 -2.85 -1.26 -3.66 119.74 117.96 2joe s LYS 131 Ca 0.17 0.01 -0.04 0.00 -1.00 0.00 0.00 55.97 55.11 2joe s LYS 131 Cb -0.16 -4.08 -0.10 0.00 -2.06 0.00 0.00 37.83 31.43 2joe s LYS 131 CO -0.06 -1.83 3.04 1.47 0.10 0.00 0.00 175.35 178.06 2joe n LEU 132 N 8.68 5.67 -4.89 2.77 -0.00 -1.26 -4.90 117.00 123.08 2joe n LEU 132 Ca 0.06 -3.30 -0.23 0.00 -0.00 0.00 0.00 56.01 52.53 2joe n LEU 132 Cb 0.49 -1.30 -0.02 0.00 -0.00 0.00 0.00 43.42 42.59 2joe n LEU 132 CO 0.71 1.57 0.03 -1.83 -0.00 0.00 0.00 177.39 177.86 2joe s GLU 133 N -0.08 2.38 -0.29 1.47 -1.05 -1.26 -5.13 118.70 114.74 2joe s GLU 133 Ca 0.52 -1.75 -0.09 0.00 -0.15 0.00 0.00 54.97 53.50 2joe s GLU 133 Cb 0.28 -2.26 0.13 0.00 -0.44 0.00 0.00 34.13 31.84 2joe s GLU 133 CO -0.06 -0.39 0.63 -1.58 0.95 0.00 0.00 175.26 174.81 2joe s HIS 134 N -2.61 -1.32 0.22 4.83 2.46 -1.26 -5.14 115.29 112.47 2joe s HIS 134 Ca 0.43 2.24 -0.32 0.00 0.47 0.00 0.00 55.06 57.88 2joe s HIS 134 Cb -0.02 0.75 -0.13 0.00 -0.13 0.00 0.00 32.58 33.05 2joe s HIS 134 CO 0.26 -0.67 1.54 0.72 -2.47 0.00 0.00 174.74 174.12 2joe n HIS 135 N 5.44 2.39 -2.44 3.88 8.25 -1.26 -4.82 115.22 126.67 2joe n HIS 135 Ca -0.11 0.30 -0.38 0.00 -0.26 0.00 0.00 57.72 57.27 2joe n HIS 135 Cb 0.49 -2.54 -0.03 0.00 1.12 0.00 0.00 29.99 29.03 2joe n HIS 135 CO 0.00 0.00 0.00 -1.01 0.64 0.00 0.00 176.34 175.97 2joe s HIS 136 N 0.44 2.38 -0.44 4.41 3.76 -1.26 -4.77 115.29 119.81 2joe s HIS 136 Ca 0.72 -0.56 0.05 0.00 -0.15 0.00 0.00 55.06 55.13 2joe s HIS 136 Cb -0.62 -4.54 0.17 0.00 1.11 0.00 0.00 32.58 28.71 2joe s HIS 136 CO 0.43 -1.86 0.50 -1.58 -0.85 0.00 0.00 174.74 171.38 2joe s HIS 137 N 6.19 -0.30 0.00 1.40 5.04 -1.26 -4.92 115.29 121.44 2joe s HIS 137 Ca 0.53 -1.28 0.02 0.00 -1.54 0.00 0.00 55.06 52.79 2joe s HIS 137 Cb -0.01 -0.31 0.03 0.00 0.04 0.00 0.00 32.58 32.34 2joe s HIS 137 CO -0.06 -1.04 0.92 1.58 -2.34 0.00 0.00 174.74 173.80 2joe n HIS 138 N 3.22 0.00 -0.89 3.88 -0.00 -1.26 -5.27 115.22 114.91 2joe n HIS 138 Ca 0.21 -0.39 0.00 0.00 -0.00 0.00 0.00 57.72 57.54 2joe n HIS 138 Cb 0.51 0.39 0.00 0.00 -0.00 0.00 0.00 29.99 30.88 2joe n HIS 138 CO 0.00 0.00 0.00 0.72 -0.00 0.00 0.00 176.34 177.06