#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 1.92 1.43 3.17 0.00 -1.26 -5.00 105.19 105.45 2joe n GLY 2 Ca 0.00 0.24 0.01 0.00 0.00 0.00 0.00 46.02 46.27 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 0.00 3.85 0.21 1.61 8.00 -1.26 -4.22 116.55 124.74 2joe n ASP 3 Ca 0.00 -2.64 0.07 0.00 0.71 0.00 0.00 54.79 52.93 2joe n ASP 3 Cb 0.00 -0.63 0.43 0.00 -0.02 0.00 0.00 41.12 40.90 2joe n ASP 3 CO 0.00 0.00 0.00 0.50 -0.39 0.00 0.00 177.20 177.31 2joe h LYS 4 N 2.15 0.00 -6.51 -1.24 3.64 -1.96 -3.38 116.57 109.27 2joe h LYS 4 Ca 0.07 0.00 -0.57 0.00 -1.27 0.00 0.00 60.65 58.87 2joe h LYS 4 Cb 1.54 0.00 -0.08 0.00 -0.41 0.00 0.00 32.23 33.28 2joe h LYS 4 CO 0.37 0.31 0.82 -1.21 -2.27 0.00 0.00 179.45 177.47 2joe s GLU 5 N -3.81 3.63 -0.09 1.90 2.02 -1.26 -4.69 118.70 116.40 2joe s GLU 5 Ca -0.01 0.38 -0.10 0.00 0.02 0.00 0.00 54.97 55.26 2joe s GLU 5 Cb 0.12 -3.93 -0.05 0.00 0.10 0.00 0.00 34.13 30.37 2joe s GLU 5 CO 0.67 -1.37 0.24 -2.00 0.02 0.00 0.00 175.26 172.81 2joe s GLU 6 N 4.29 3.67 -0.35 1.61 2.12 -0.98 -4.89 118.70 124.18 2joe s GLU 6 Ca 0.44 0.06 -0.12 0.00 0.36 0.00 0.00 54.97 55.71 2joe s GLU 6 Cb -0.08 -3.22 -0.00 0.00 0.26 0.00 0.00 34.13 31.08 2joe s GLU 6 CO 0.29 0.70 0.22 -1.12 -0.54 0.00 0.00 175.26 174.82 2joe s SER 7 N -0.91 5.90 -0.53 -1.70 0.01 -1.26 -2.16 113.70 113.05 2joe s SER 7 Ca 0.18 -0.57 -0.03 0.00 1.31 0.00 0.00 55.95 56.84 2joe s SER 7 Cb -0.14 -2.09 0.14 0.00 0.21 0.00 0.00 66.02 64.14 2joe s SER 7 CO 0.07 -0.27 0.34 -0.54 0.41 0.00 0.00 173.24 173.25 2joe s LYS 8 N 1.67 2.33 0.16 12.44 -0.14 0.71 -4.15 119.74 132.76 2joe s LYS 8 Ca 0.05 -2.24 -0.16 0.00 -1.36 0.00 0.00 55.97 52.26 2joe s LYS 8 Cb -0.18 -3.67 -0.07 0.00 -1.68 0.00 0.00 37.83 32.23 2joe s LYS 8 CO 0.09 -1.13 0.60 0.21 -0.76 0.00 0.00 175.35 174.36 2joe s LYS 9 N 0.43 4.08 0.01 1.68 2.20 -1.19 -0.18 119.74 126.79 2joe s LYS 9 Ca 0.13 0.63 0.04 0.00 -0.36 0.00 0.00 55.97 56.41 2joe s LYS 9 Cb -0.21 -2.95 -0.01 0.00 -1.51 0.00 0.00 37.83 33.14 2joe s LYS 9 CO -0.04 0.47 -0.12 -0.59 -0.36 0.00 0.00 175.35 174.72 2joe s PHE 10 N -1.44 1.02 -0.29 4.03 -0.12 -0.48 0.83 117.98 121.52 2joe s PHE 10 Ca 0.38 -0.27 0.03 0.00 -0.05 0.00 0.00 56.93 57.02 2joe s PHE 10 Cb -0.16 -0.63 0.08 0.00 -0.63 0.00 0.00 43.02 41.68 2joe s PHE 10 CO 0.20 -0.00 -0.04 -1.54 -0.05 0.00 0.00 175.22 173.78 2joe s SER 11 N -0.70 4.50 -0.34 1.98 1.04 0.23 -1.60 113.70 118.81 2joe s SER 11 Ca 0.02 -1.66 -0.08 0.00 0.48 0.00 0.00 55.95 54.71 2joe s SER 11 Cb -0.06 -1.53 0.03 0.00 0.10 0.00 0.00 66.02 64.56 2joe s SER 11 CO 0.00 -0.27 0.13 0.00 0.98 0.00 0.00 173.24 174.08 2joe s ALA 12 N 1.07 3.11 -0.90 5.32 0.00 0.06 -4.17 121.76 126.24 2joe s ALA 12 Ca -0.01 -1.68 -0.16 0.00 0.00 0.00 0.00 51.96 50.10 2joe s ALA 12 Cb -0.19 -2.33 0.17 0.00 0.00 0.00 0.00 23.12 20.77 2joe s ALA 12 CO -0.07 -1.27 0.99 -0.80 0.00 0.00 0.00 175.76 174.62 2joe s ASN 13 N 1.46 6.72 -0.38 0.00 -0.87 -1.26 -0.23 114.94 120.37 2joe s ASN 13 Ca 0.00 -2.38 -0.06 0.00 -1.57 0.00 0.00 52.86 48.85 2joe s ASN 13 Cb -0.19 -2.32 0.08 0.00 -0.02 0.00 0.00 41.25 38.80 2joe s ASN 13 CO 0.04 -0.83 0.17 -1.48 -2.57 0.00 0.00 177.10 172.43 2joe s LEU 14 N 1.52 4.82 -1.16 0.60 0.05 0.14 -4.72 118.68 119.94 2joe s LEU 14 Ca 0.27 -1.55 -0.10 0.00 0.05 0.00 0.00 54.13 52.80 2joe s LEU 14 Cb -0.07 -1.87 -0.03 0.00 -2.05 0.00 0.00 46.19 42.17 2joe s LEU 14 CO -0.09 -0.46 0.82 -3.20 -0.55 0.00 0.00 176.35 172.87 2joe n ASN 15 N 4.76 -4.55 0.00 1.48 5.15 -1.26 -1.59 115.26 119.24 2joe n ASN 15 Ca -0.09 -0.86 0.00 0.00 -0.60 0.00 0.00 54.58 53.04 2joe n ASN 15 Cb 0.43 -4.20 0.00 0.00 -0.53 0.00 0.00 39.78 35.48 2joe n ASN 15 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 2joe n GLY 16 N -1.49 2.97 3.45 8.20 0.00 -1.26 -4.79 105.19 112.27 2joe n GLY 16 Ca -0.15 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.44 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 -1.93 4.83 -0.76 2.61 2.01 -0.62 -3.12 115.64 118.67 2joe s THR 17 Ca 0.00 -0.42 -0.20 0.00 0.31 0.00 0.00 61.69 61.38 2joe s THR 17 Cb 0.00 -4.32 0.10 0.00 0.01 0.00 0.00 72.50 68.29 2joe s THR 17 CO 0.00 -0.83 0.99 -1.61 -0.69 0.00 0.00 174.62 172.48 2joe s GLU 18 N 2.74 3.29 -0.56 4.92 2.02 0.12 -0.68 118.70 130.55 2joe s GLU 18 Ca 0.16 -1.28 -0.21 0.00 0.02 0.00 0.00 54.97 53.66 2joe s GLU 18 Cb -0.19 -4.50 0.06 0.00 0.10 0.00 0.00 34.13 29.61 2joe s GLU 18 CO 0.13 -1.75 0.78 0.42 0.02 0.00 0.00 175.26 174.85 2joe s ILE 19 N 3.29 4.64 -0.46 -1.63 1.01 0.68 -0.16 121.20 128.56 2joe s ILE 19 Ca 0.25 -0.36 -0.07 0.00 0.00 0.00 0.00 60.65 60.46 2joe s ILE 19 Cb -0.13 -4.46 0.12 0.00 0.01 0.00 0.00 42.46 38.00 2joe s ILE 19 CO 0.02 -1.06 0.31 0.00 0.00 0.00 0.00 174.94 174.22 2joe s ALA 20 N 3.23 3.34 -0.27 9.38 0.00 -0.05 -0.77 121.76 136.62 2joe s ALA 20 Ca 0.19 -2.57 -0.12 0.00 0.00 0.00 0.00 51.96 49.46 2joe s ALA 20 Cb -0.18 -2.71 -0.05 0.00 0.00 0.00 0.00 23.12 20.18 2joe s ALA 20 CO 0.12 -1.89 0.25 0.42 0.00 0.00 0.00 175.76 174.67 2joe s ILE 21 N 1.24 5.27 -0.50 0.00 1.01 -0.63 -1.67 121.20 125.92 2joe s ILE 21 Ca 0.07 0.31 -0.16 0.00 0.00 0.00 0.00 60.65 60.86 2joe s ILE 21 Cb -0.25 -3.59 0.09 0.00 0.01 0.00 0.00 42.46 38.72 2joe s ILE 21 CO -0.02 0.22 0.48 -0.89 0.00 0.00 0.00 174.94 174.73 2joe s THR 22 N 1.83 5.14 -0.52 2.92 2.01 0.14 -1.39 115.64 125.78 2joe s THR 22 Ca 0.10 -1.07 -0.26 0.00 0.31 0.00 0.00 61.69 60.77 2joe s THR 22 Cb -0.16 -4.23 0.03 0.00 0.01 0.00 0.00 72.50 68.16 2joe s THR 22 CO 0.10 -0.72 1.03 -0.31 -0.69 0.00 0.00 174.62 174.03 2joe s TYR 23 N 1.86 2.79 -0.56 4.92 2.02 0.75 -0.95 117.35 128.19 2joe s TYR 23 Ca 0.06 0.32 -0.18 0.00 -0.37 0.00 0.00 57.07 56.90 2joe s TYR 23 Cb -0.25 -4.21 0.10 0.00 -0.40 0.00 0.00 41.96 37.20 2joe s TYR 23 CO 0.07 -1.32 0.62 0.08 -1.57 0.00 0.00 175.55 173.42 2joe s VAL 24 N 4.22 4.94 0.20 0.71 1.01 0.87 -0.20 120.40 132.14 2joe s VAL 24 Ca 0.38 -1.01 0.09 0.00 0.00 0.00 0.00 61.98 61.45 2joe s VAL 24 Cb -0.10 -4.39 -0.04 0.00 0.00 0.00 0.00 36.38 31.85 2joe s VAL 24 CO 0.25 -0.97 -0.09 -0.72 0.00 0.00 0.00 175.10 173.57 2joe s TYR 25 N 2.37 2.63 -0.22 5.22 1.13 -0.92 -1.01 117.35 126.55 2joe s TYR 25 Ca 0.10 -0.23 -0.02 0.00 -1.41 0.00 0.00 57.07 55.51 2joe s TYR 25 Cb -0.24 -1.26 0.07 0.00 -1.10 0.00 0.00 41.96 39.43 2joe s TYR 25 CO 0.07 0.54 0.04 0.21 -2.51 0.00 0.00 175.55 173.90 2joe s LYS 26 N -3.00 0.70 6.33 -3.49 2.20 -0.76 -2.31 119.74 119.41 2joe s LYS 26 Ca 0.26 -0.55 0.00 0.00 -0.36 0.00 0.00 55.97 55.32 2joe s LYS 26 Cb -0.08 -2.09 0.00 0.00 -1.51 0.00 0.00 37.83 34.15 2joe s LYS 26 CO 0.16 -0.70 0.00 0.41 -0.36 0.00 0.00 175.35 174.86 2joe n GLY 27 N 5.01 1.93 0.06 5.54 0.00 -1.26 -3.76 105.19 112.70 2joe n GLY 27 Ca -0.08 -0.56 0.03 0.00 0.00 0.00 0.00 46.02 45.41 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 7.52 0.58 -4.78 1.61 9.92 -1.26 -4.93 116.55 125.21 2joe n ASP 28 Ca 0.00 -0.79 -0.36 0.00 -0.53 0.00 0.00 54.79 53.11 2joe n ASP 28 Cb 0.00 0.82 -0.07 0.00 -0.64 0.00 0.00 41.12 41.23 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 -1.49 3.93 -0.71 -1.24 2.20 -1.25 0.49 119.74 121.68 2joe s LYS 29 Ca 0.04 -0.15 -0.27 0.00 -0.36 0.00 0.00 55.97 55.23 2joe s LYS 29 Cb 0.06 -3.34 0.03 0.00 -1.51 0.00 0.00 37.83 33.07 2joe s LYS 29 CO 0.26 0.47 1.28 0.08 -0.36 0.00 0.00 175.35 177.08 2joe s VAL 30 N -0.15 3.76 -0.10 4.02 1.01 -1.26 -1.83 120.40 125.85 2joe s VAL 30 Ca 0.12 0.49 0.14 0.00 0.00 0.00 0.00 61.98 62.72 2joe s VAL 30 Cb -0.12 -4.86 0.00 0.00 0.00 0.00 0.00 36.38 31.40 2joe s VAL 30 CO 0.01 -1.75 1.38 -0.07 0.00 0.00 0.00 175.10 174.68 2joe h LEU 31 N 12.92 0.00 -7.37 3.92 3.38 -1.80 -3.42 115.31 122.94 2joe h LEU 31 Ca -0.27 0.00 -0.44 0.00 0.09 0.00 0.00 57.88 57.25 2joe h LEU 31 Cb 1.05 0.00 -0.39 0.00 0.09 0.00 0.00 40.66 41.42 2joe h LEU 31 CO 1.26 0.60 -0.76 -0.54 0.09 0.00 0.00 178.44 179.09 2joe s LYS 32 N -2.91 0.46 -0.44 1.13 1.02 -0.18 -0.08 119.74 118.73 2joe s LYS 32 Ca 0.03 0.03 -0.08 0.00 0.02 0.00 0.00 55.97 55.97 2joe s LYS 32 Cb 0.08 -1.21 0.10 0.00 -0.52 0.00 0.00 37.83 36.28 2joe s LYS 32 CO 0.76 -0.41 0.28 -1.14 -0.92 0.00 0.00 175.35 173.92 2joe s GLN 33 N 2.00 2.44 -0.63 1.68 0.74 0.75 -0.09 119.66 126.55 2joe s GLN 33 Ca 0.04 -1.65 -0.24 0.00 0.05 0.00 0.00 55.36 53.55 2joe s GLN 33 Cb -0.14 -3.79 0.05 0.00 1.10 0.00 0.00 33.01 30.23 2joe s GLN 33 CO -0.06 -1.07 1.03 -1.12 -0.55 0.00 0.00 175.29 173.52 2joe s SER 34 N 2.29 6.25 -0.77 6.67 0.01 -0.12 -0.90 113.70 127.12 2joe s SER 34 Ca 0.05 -0.56 -0.16 0.00 1.31 0.00 0.00 55.95 56.59 2joe s SER 34 Cb -0.24 -2.46 0.18 0.00 0.21 0.00 0.00 66.02 63.70 2joe s SER 34 CO -0.00 -1.44 0.78 -0.55 0.41 0.00 0.00 173.24 172.44 2joe s SER 35 N 3.32 6.58 -0.66 2.44 0.15 0.15 0.26 113.70 125.94 2joe s SER 35 Ca 0.29 -2.29 -0.16 0.00 0.70 0.00 0.00 55.95 54.49 2joe s SER 35 Cb -0.13 -2.25 0.16 0.00 -1.71 0.00 0.00 66.02 62.08 2joe s SER 35 CO 0.16 -0.77 0.64 -1.61 1.20 0.00 0.00 173.24 172.87 2joe s GLU 36 N 1.12 3.22 -0.47 5.44 2.02 -0.67 -1.13 118.70 128.24 2joe s GLU 36 Ca 0.17 -1.90 -0.19 0.00 0.02 0.00 0.00 54.97 53.07 2joe s GLU 36 Cb -0.14 -4.36 0.04 0.00 0.10 0.00 0.00 34.13 29.77 2joe s GLU 36 CO -0.05 -1.37 0.57 0.99 0.02 0.00 0.00 175.26 175.42 2joe s THR 37 N 1.34 4.93 -0.56 3.63 2.01 -0.28 -0.87 115.64 125.84 2joe s THR 37 Ca 0.10 -0.34 -0.20 0.00 0.31 0.00 0.00 61.69 61.56 2joe s THR 37 Cb -0.22 -4.20 0.07 0.00 0.01 0.00 0.00 72.50 68.16 2joe s THR 37 CO -0.01 -0.65 0.75 -0.75 -0.69 0.00 0.00 174.62 173.27 2joe s LYS 38 N 2.51 3.12 -0.24 4.92 2.20 0.77 0.03 119.74 133.05 2joe s LYS 38 Ca 0.16 -0.93 -0.10 0.00 -0.36 0.00 0.00 55.97 54.74 2joe s LYS 38 Cb -0.18 -4.16 -0.05 0.00 -1.51 0.00 0.00 37.83 31.93 2joe s LYS 38 CO 0.14 -1.45 0.16 0.42 -0.36 0.00 0.00 175.35 174.25 2joe s ILE 39 N 3.06 5.29 0.57 5.43 1.01 0.29 0.12 121.20 136.97 2joe s ILE 39 Ca 0.17 0.16 -0.17 0.00 0.00 0.00 0.00 60.65 60.81 2joe s ILE 39 Cb -0.19 -3.47 -0.04 0.00 0.01 0.00 0.00 42.46 38.76 2joe s ILE 39 CO 0.11 0.34 1.07 -1.10 0.00 0.00 0.00 174.94 175.36 2joe s GLN 40 N 1.15 3.34 0.50 2.79 -1.52 -1.18 -0.47 119.66 124.27 2joe s GLN 40 Ca 0.07 1.32 0.15 0.00 -1.95 0.00 0.00 55.36 54.96 2joe s GLN 40 Cb -0.14 -2.03 1.21 0.00 -0.22 0.00 0.00 33.01 31.84 2joe s GLN 40 CO 0.05 -0.81 2.12 0.74 -0.25 0.00 0.00 175.29 177.15 2joe h PHE 41 N 0.71 0.08 0.00 0.91 0.04 -1.48 -0.32 116.94 116.89 2joe h PHE 41 Ca -0.48 0.00 -0.05 0.00 2.80 0.00 0.00 57.97 60.24 2joe h PHE 41 Cb 1.23 -0.03 -0.01 0.00 2.20 0.00 0.00 35.95 39.34 2joe h PHE 41 CO 0.57 0.05 -0.26 0.00 -0.60 0.00 0.00 178.31 178.07 2joe h ALA 42 N 1.94 1.08 0.19 2.45 0.00 -1.84 0.23 119.26 123.31 2joe h ALA 42 Ca 0.04 -0.23 -0.33 0.00 0.00 0.00 0.00 54.91 54.39 2joe h ALA 42 Cb 0.07 -0.04 0.02 0.00 0.00 0.00 0.00 17.79 17.83 2joe h ALA 42 CO -0.01 0.32 -1.59 0.77 0.00 0.00 0.00 179.25 178.74 2joe h SER 43 N 0.00 0.64 0.84 0.00 0.02 -1.38 -3.35 113.55 110.32 2joe h SER 43 Ca -0.00 -0.82 -0.21 0.00 -0.84 0.00 0.00 61.79 59.92 2joe h SER 43 Cb 0.71 -0.21 -0.03 0.00 0.14 0.00 0.00 62.40 63.01 2joe h SER 43 CO 0.03 1.67 -1.25 -0.29 -1.14 0.00 0.00 176.83 175.85 2joe h ILE 44 N 0.11 0.96 0.00 3.27 2.10 -1.34 -3.48 117.51 119.14 2joe h ILE 44 Ca -0.28 -2.60 0.00 0.00 1.08 0.00 0.00 64.86 63.06 2joe h ILE 44 Cb 2.10 2.42 0.00 0.00 -1.09 0.00 0.00 36.82 40.25 2joe h ILE 44 CO 0.21 0.55 0.00 0.61 -1.08 0.00 0.00 178.15 178.44 2joe n GLY 45 N 1.40 0.67 3.71 8.18 0.00 0.77 -5.05 105.19 114.87 2joe n GLY 45 Ca -0.08 -0.58 -0.39 0.00 0.00 0.00 0.00 46.02 44.98 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 3.47 0.08 4.61 0.00 -0.98 -4.98 121.76 121.96 2joe s ALA 46 Ca 0.00 -0.18 -0.17 0.00 0.00 0.00 0.00 51.96 51.60 2joe s ALA 46 Cb 0.00 -2.74 -0.10 0.00 0.00 0.00 0.00 23.12 20.27 2joe s ALA 46 CO 0.00 -0.13 1.41 1.15 0.00 0.00 0.00 175.76 178.19 2joe h THR 47 N 4.83 1.31 -4.84 0.00 2.02 -1.92 -3.44 112.91 110.87 2joe h THR 47 Ca -0.39 -1.30 -0.52 0.00 0.77 0.00 0.00 66.41 64.96 2joe h THR 47 Cb 1.17 1.64 -0.12 0.00 -1.74 0.00 0.00 68.15 69.10 2joe h THR 47 CO 0.75 0.40 -0.45 0.35 0.37 0.00 0.00 175.52 176.94 2joe n THR 48 N -4.43 0.00 0.05 3.16 -2.24 -1.26 -5.02 114.28 104.53 2joe n THR 48 Ca -0.04 -2.33 -0.05 0.00 -2.27 0.00 0.00 64.05 59.35 2joe n THR 48 Cb 0.39 0.92 0.15 0.00 -2.10 0.00 0.00 70.33 69.69 2joe n THR 48 CO 0.00 0.00 0.00 0.11 -0.57 0.00 0.00 175.07 174.61 2joe h LYS 49 N 0.00 0.39 -0.01 -0.78 1.57 -1.91 -0.99 116.57 114.84 2joe h LYS 49 Ca -0.29 -0.21 -0.00 0.00 -1.87 0.00 0.00 60.65 58.28 2joe h LYS 49 Cb 1.18 0.01 -0.00 0.00 0.08 0.00 0.00 32.23 33.50 2joe h LYS 49 CO 0.45 0.76 0.01 1.49 -0.57 0.00 0.00 179.45 181.59 2joe h GLU 50 N 0.32 0.02 -0.48 3.15 4.22 -2.00 -1.26 114.58 118.55 2joe h GLU 50 Ca 0.02 -0.00 -0.07 0.00 0.08 0.00 0.00 59.36 59.39 2joe h GLU 50 Cb 0.91 -0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.14 2joe h GLU 50 CO 0.08 0.09 0.02 0.22 -2.18 0.00 0.00 179.01 177.24 2joe h ASP 51 N -0.06 0.74 -0.69 1.04 3.58 -1.92 -2.50 116.42 116.62 2joe h ASP 51 Ca 0.00 -0.17 -0.02 0.00 0.42 0.00 0.00 57.03 57.26 2joe h ASP 51 Cb 0.07 -0.20 -0.03 0.00 1.72 0.00 0.00 39.33 40.90 2joe h ASP 51 CO -0.00 0.79 0.33 0.00 -2.88 0.00 0.00 179.24 177.49 2joe h ALA 52 N 1.29 0.88 -0.77 -0.78 0.00 -0.95 -2.56 119.26 116.38 2joe h ALA 52 Ca 0.15 -0.14 -0.02 0.00 0.00 0.00 0.00 54.91 54.89 2joe h ALA 52 Cb 0.41 -0.27 -0.04 0.00 0.00 0.00 0.00 17.79 17.90 2joe h ALA 52 CO 0.02 0.44 0.39 0.00 0.00 0.00 0.00 179.25 180.09 2joe h ALA 53 N 1.16 1.23 -0.08 0.00 0.00 -0.82 0.09 119.26 120.84 2joe h ALA 53 Ca 0.24 -0.14 0.02 0.00 0.00 0.00 0.00 54.91 55.03 2joe h ALA 53 Cb 0.11 -0.31 -0.00 0.00 0.00 0.00 0.00 17.79 17.59 2joe h ALA 53 CO -0.03 0.60 0.09 0.87 0.00 0.00 0.00 179.25 180.78 2joe h LYS 54 N 1.09 0.00 0.07 0.00 1.57 -1.04 0.18 116.57 118.43 2joe h LYS 54 Ca 0.27 0.00 -0.37 0.00 -1.87 0.00 0.00 60.65 58.68 2joe h LYS 54 Cb 0.08 0.00 -0.04 0.00 0.08 0.00 0.00 32.23 32.35 2joe h LYS 54 CO -0.04 0.00 -2.13 2.41 -0.57 0.00 0.00 179.45 179.12 2joe n THR 55 N -3.84 1.65 0.10 -0.16 -1.04 -0.68 -4.57 114.28 105.75 2joe n THR 55 Ca -0.01 -0.56 -0.20 0.00 -2.04 0.00 0.00 64.05 61.24 2joe n THR 55 Cb 0.19 -1.66 -0.15 0.00 -1.82 0.00 0.00 70.33 66.89 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 -0.10 0.56 0.12 -4.42 3.38 -0.56 -3.20 115.31 111.09 2joe h LEU 56 Ca -0.49 -0.68 0.01 0.00 0.09 0.00 0.00 57.88 56.82 2joe h LEU 56 Cb 1.91 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 42.45 2joe h LEU 56 CO -0.02 1.55 -0.19 -0.33 0.09 0.00 0.00 178.44 179.54 2joe h GLU 57 N 0.10 -0.35 0.00 1.13 5.08 -0.89 0.21 114.58 119.85 2joe h GLU 57 Ca -0.23 0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.15 2joe h GLU 57 Cb 2.06 0.08 0.00 0.00 0.50 0.00 0.00 28.75 31.39 2joe h GLU 57 CO 0.21 -0.24 0.00 -1.00 -1.00 0.00 0.00 179.01 176.98 2joe h PRO 58 N -0.37 0.00 0.21 2.33 0.13 -1.77 -2.53 132.00 130.00 2joe h PRO 58 Ca 0.02 0.00 -0.28 0.00 -0.87 0.00 0.00 66.00 64.87 2joe h PRO 58 Cb 0.38 0.00 0.03 0.00 0.13 0.00 0.00 31.00 31.54 2joe h PRO 58 CO -0.10 0.00 -1.26 1.25 -0.23 0.00 0.00 178.00 177.67 2joe h LEU 59 N 0.00 0.70 -1.80 1.56 6.46 -1.12 -3.14 115.31 117.96 2joe h LEU 59 Ca 0.00 -0.93 -0.03 0.00 -0.12 0.00 0.00 57.88 56.80 2joe h LEU 59 Cb 0.31 -0.23 -0.00 0.00 -0.73 0.00 0.00 40.66 40.01 2joe h LEU 59 CO 0.00 1.60 -0.14 0.28 -0.62 0.00 0.00 178.44 179.56 2joe h SER 60 N -0.05 0.00 0.49 1.25 0.02 -0.43 -1.12 113.55 113.71 2joe h SER 60 Ca -0.22 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.73 2joe h SER 60 Cb 1.97 0.00 0.00 0.00 0.14 0.00 0.00 62.40 64.51 2joe h SER 60 CO 0.22 0.14 0.00 0.00 -1.14 0.00 0.00 176.83 176.06 2joe n ALA 61 N -2.43 1.63 0.21 3.77 0.00 -0.97 -1.53 120.51 121.19 2joe n ALA 61 Ca -0.02 -0.03 0.09 0.00 0.00 0.00 0.00 53.44 53.47 2joe n ALA 61 Cb 0.22 -1.24 0.40 0.00 0.00 0.00 0.00 19.45 18.83 2joe n ALA 61 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 2joe h LYS 62 N 0.00 0.00 0.01 0.00 1.57 -1.22 -3.21 116.57 113.72 2joe h LYS 62 Ca 0.00 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 58.78 2joe h LYS 62 Cb 0.25 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.56 2joe h LYS 62 CO 0.00 0.25 -0.01 1.88 -0.57 0.00 0.00 179.45 181.00 2joe h TYR 63 N 0.00 -0.02 0.00 -1.35 -1.99 -1.43 -3.47 116.97 108.72 2joe h TYR 63 Ca -0.00 -0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.73 2joe h TYR 63 Cb 0.83 0.01 0.00 0.00 2.00 0.00 0.00 36.73 39.57 2joe h TYR 63 CO 0.00 0.25 0.00 1.17 -0.00 0.00 0.00 178.16 179.58 2joe n LYS 64 N -4.75 0.00 -2.71 4.88 4.81 -1.17 -2.03 118.16 117.19 2joe n LYS 64 Ca -0.03 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.41 2joe n LYS 64 Cb 0.13 0.00 0.05 0.00 0.02 0.00 0.00 35.03 35.23 2joe n LYS 64 CO 0.00 0.00 0.00 0.09 1.17 0.00 0.00 177.40 178.66 2joe n ASN 65 N 4.66 1.56 -0.37 3.14 4.13 -1.26 -4.87 115.26 122.26 2joe n ASN 65 Ca 0.00 -2.04 0.02 0.00 1.68 0.00 0.00 54.58 54.23 2joe n ASN 65 Cb 0.00 -0.46 0.16 0.00 -1.54 0.00 0.00 39.78 37.94 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 5.68 1.12 0.00 2.41 2.04 -1.77 -3.48 117.51 123.51 2joe h ILE 66 Ca -0.14 -0.42 0.00 0.00 1.00 0.00 0.00 64.86 65.30 2joe h ILE 66 Cb 1.33 -0.20 0.00 0.00 -0.74 0.00 0.00 36.82 37.21 2joe h ILE 66 CO 0.18 0.22 0.00 0.00 0.00 0.00 0.00 178.15 178.55 2joe n ALA 67 N -2.37 0.00 -0.61 1.87 0.00 -1.26 -3.45 120.51 114.70 2joe n ALA 67 Ca 0.15 0.00 -0.04 0.00 0.00 0.00 0.00 53.44 53.55 2joe n ALA 67 Cb 0.15 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 19.55 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 2.48 3.52 0.00 0.00 -1.26 -4.84 105.19 105.09 2joe n GLY 68 Ca 0.00 -0.37 -0.42 0.00 0.00 0.00 0.00 46.02 45.23 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 0.53 3.93 -0.44 1.61 -7.23 -1.23 -3.66 120.40 113.91 2joe s VAL 69 Ca 0.21 0.06 -0.15 0.00 -1.81 0.00 0.00 61.98 60.29 2joe s VAL 69 Cb 0.10 -4.86 0.04 0.00 0.56 0.00 0.00 36.38 32.22 2joe s VAL 69 CO 0.00 -1.75 0.34 -0.70 -0.31 0.00 0.00 175.10 172.68 2joe s GLU 70 N 5.15 2.97 -0.44 4.82 2.56 0.23 -4.80 118.70 129.19 2joe s GLU 70 Ca 0.32 -1.16 -0.15 0.00 0.00 0.00 0.00 54.97 53.98 2joe s GLU 70 Cb -0.10 -4.04 0.04 0.00 2.00 0.00 0.00 34.13 32.04 2joe s GLU 70 CO 0.11 -0.86 0.35 -1.83 -0.56 0.00 0.00 175.26 172.46 2joe s GLU 71 N 1.66 2.98 -0.42 4.30 4.04 -1.26 0.14 118.70 130.14 2joe s GLU 71 Ca 0.05 -1.14 -0.07 0.00 0.04 0.00 0.00 54.97 53.84 2joe s GLU 71 Cb -0.21 -4.04 0.09 0.00 0.02 0.00 0.00 34.13 29.98 2joe s GLU 71 CO 0.09 -0.87 0.24 0.21 -1.84 0.00 0.00 175.26 173.09 2joe s LYS 72 N 1.69 2.45 -0.34 -4.83 2.20 0.35 -4.96 119.74 116.29 2joe s LYS 72 Ca 0.05 -1.56 -0.28 0.00 -0.36 0.00 0.00 55.97 53.81 2joe s LYS 72 Cb -0.21 -3.72 0.02 0.00 -1.51 0.00 0.00 37.83 32.41 2joe s LYS 72 CO 0.09 -0.99 1.04 -0.51 -0.36 0.00 0.00 175.35 174.62 2joe s LEU 73 N 1.34 3.92 -0.36 5.43 1.43 -1.26 -0.72 118.68 128.46 2joe s LEU 73 Ca 0.04 0.88 -0.08 0.00 -1.03 0.00 0.00 54.13 53.94 2joe s LEU 73 Cb -0.23 -3.47 0.04 0.00 0.03 0.00 0.00 46.19 42.57 2joe s LEU 73 CO 0.00 -0.90 0.16 0.42 0.23 0.00 0.00 176.35 176.26 2joe s THR 74 N 3.67 4.07 -0.53 5.49 -4.23 0.35 -4.97 115.64 119.48 2joe s THR 74 Ca 0.44 -1.12 -0.17 0.00 -1.18 0.00 0.00 61.69 59.66 2joe s THR 74 Cb -0.12 -3.34 0.10 0.00 1.34 0.00 0.00 72.50 70.48 2joe s THR 74 CO 0.17 -0.26 0.55 -0.31 -0.54 0.00 0.00 174.62 174.24 2joe s TYR 75 N 1.44 3.14 -0.10 3.99 2.02 -1.26 -0.28 117.35 126.31 2joe s TYR 75 Ca 0.00 -0.98 -0.10 0.00 -0.37 0.00 0.00 57.07 55.63 2joe s TYR 75 Cb -0.20 -3.66 -0.27 0.00 -0.40 0.00 0.00 41.96 37.43 2joe s TYR 75 CO 0.04 -1.04 0.46 1.15 -1.57 0.00 0.00 175.55 174.59 2joe h THR 76 N 5.86 0.76 0.00 -0.71 2.02 -1.86 -3.50 112.91 115.49 2joe h THR 76 Ca -0.29 -2.39 0.00 0.00 0.77 0.00 0.00 66.41 64.50 2joe h THR 76 Cb 1.10 2.59 0.00 0.00 -1.74 0.00 0.00 68.15 70.10 2joe h THR 76 CO 1.00 0.85 0.00 -0.67 0.37 0.00 0.00 175.52 177.07 2joe n ASP 77 N -3.60 0.00 -0.45 4.18 2.03 -1.26 -4.96 116.55 112.49 2joe n ASP 77 Ca -0.29 0.00 0.09 0.00 0.52 0.00 0.00 54.79 55.11 2joe n ASP 77 Cb 1.03 0.01 0.19 0.00 -0.72 0.00 0.00 41.12 41.63 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 -0.72 2.04 -3.63 5.18 -1.04 -1.26 -4.78 114.28 110.07 2joe n THR 78 Ca 0.00 -2.05 -0.12 0.00 -2.04 0.00 0.00 64.05 59.83 2joe n THR 78 Cb 0.00 -0.22 -0.05 0.00 -1.82 0.00 0.00 70.33 68.23 2joe n THR 78 CO 0.00 0.00 0.00 -0.72 -0.64 0.00 0.00 175.07 173.71 2joe s TYR 79 N -2.80 -0.28 -0.09 -1.42 -0.85 -1.26 -1.25 117.35 109.39 2joe s TYR 79 Ca 0.36 0.17 0.01 0.00 -0.52 0.00 0.00 57.07 57.09 2joe s TYR 79 Cb 0.30 0.26 0.02 0.00 0.38 0.00 0.00 41.96 42.92 2joe s TYR 79 CO 0.06 -0.63 -0.11 0.00 -1.52 0.00 0.00 175.55 173.35 2joe s ALA 80 N -2.93 1.36 -0.27 9.51 0.00 0.38 -2.27 121.76 127.55 2joe s ALA 80 Ca -0.02 -0.53 -0.10 0.00 0.00 0.00 0.00 51.96 51.31 2joe s ALA 80 Cb 0.00 -0.77 -0.04 0.00 0.00 0.00 0.00 23.12 22.31 2joe s ALA 80 CO -0.06 -0.16 0.14 -1.14 0.00 0.00 0.00 175.76 174.54 2joe s GLN 81 N 1.20 3.84 -0.86 0.00 0.74 0.62 -0.54 119.66 124.65 2joe s GLN 81 Ca -0.04 -0.38 -0.23 0.00 0.05 0.00 0.00 55.36 54.76 2joe s GLN 81 Cb -0.14 -3.52 0.07 0.00 1.10 0.00 0.00 33.01 30.51 2joe s GLN 81 CO -0.03 -0.18 1.24 -1.21 -0.55 0.00 0.00 175.29 174.56 2joe s GLU 82 N 1.68 3.39 -0.96 1.67 2.02 0.10 -0.50 118.70 126.11 2joe s GLU 82 Ca 0.07 -0.97 -0.24 0.00 0.02 0.00 0.00 54.97 53.85 2joe s GLU 82 Cb -0.16 -4.74 0.03 0.00 0.10 0.00 0.00 34.13 29.37 2joe s GLU 82 CO 0.08 -2.02 1.50 1.21 0.02 0.00 0.00 175.26 176.04 2joe s ASN 83 N 4.12 6.27 -0.16 -0.19 3.04 0.11 -1.12 114.94 127.00 2joe s ASN 83 Ca 0.36 -1.19 -0.14 0.00 0.04 0.00 0.00 52.86 51.93 2joe s ASN 83 Cb -0.06 -2.57 -0.05 0.00 -1.54 0.00 0.00 41.25 37.03 2joe s ASN 83 CO 0.01 -1.72 0.29 -0.69 -3.04 0.00 0.00 177.10 171.95 2joe s VAL 84 N 5.77 5.30 -0.38 -5.21 1.01 -0.28 -0.49 120.40 126.12 2joe s VAL 84 Ca 0.48 0.54 -0.03 0.00 0.00 0.00 0.00 61.98 62.97 2joe s VAL 84 Cb -0.02 -3.63 0.09 0.00 0.00 0.00 0.00 36.38 32.82 2joe s VAL 84 CO -0.05 0.40 0.16 -0.89 0.00 0.00 0.00 175.10 174.72 2joe s THR 85 N 0.39 3.35 -0.42 3.92 2.01 0.12 0.31 115.64 125.32 2joe s THR 85 Ca 0.16 -1.81 -0.15 0.00 0.31 0.00 0.00 61.69 60.20 2joe s THR 85 Cb -0.13 -3.18 0.03 0.00 0.01 0.00 0.00 72.50 69.23 2joe s THR 85 CO 0.04 -0.53 0.32 -0.63 -0.69 0.00 0.00 174.62 173.13 2joe s ILE 86 N 1.21 5.25 -0.42 1.82 1.01 -0.08 -0.60 121.20 129.38 2joe s ILE 86 Ca 0.05 -0.69 -0.25 0.00 0.00 0.00 0.00 60.65 59.76 2joe s ILE 86 Cb -0.22 -3.96 0.02 0.00 0.01 0.00 0.00 42.46 38.31 2joe s ILE 86 CO -0.03 -0.35 0.87 -0.62 0.00 0.00 0.00 174.94 174.81 2joe s ASP 87 N 1.79 6.52 0.00 3.58 -1.08 -1.24 -0.18 116.67 126.07 2joe s ASP 87 Ca 0.05 0.20 0.20 0.00 -0.52 0.00 0.00 52.55 52.48 2joe s ASP 87 Cb -0.19 -2.43 1.04 0.00 -1.46 0.00 0.00 42.92 39.87 2joe s ASP 87 CO 0.10 -0.92 1.69 0.23 0.52 0.00 0.00 175.17 176.78 2joe n MET 88 N 6.85 1.24 0.01 4.34 2.81 0.88 -2.56 117.12 130.69 2joe n MET 88 Ca 0.05 -0.35 0.12 0.00 -1.81 0.00 0.00 57.70 55.70 2joe n MET 88 Cb 0.48 -1.34 0.20 0.00 -0.71 0.00 0.00 33.22 31.85 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 -0.44 0.07 0.00 0.03 -0.58 -1.25 -4.23 120.64 114.25 2joe n GLU 89 Ca 0.15 0.01 0.00 0.00 -0.42 0.00 0.00 57.16 56.90 2joe n GLU 89 Cb 0.15 -1.54 0.00 0.00 -0.57 0.00 0.00 31.44 29.49 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 -1.64 -0.35 -1.69 3.49 4.81 -1.10 -5.08 118.16 116.61 2joe n LYS 90 Ca 0.05 -0.23 -0.44 0.00 -0.87 0.00 0.00 58.31 56.82 2joe n LYS 90 Cb 0.36 -0.72 -0.04 0.00 0.02 0.00 0.00 35.03 34.66 2joe n LYS 90 CO 0.00 0.00 0.00 1.33 1.17 0.00 0.00 177.40 179.90 2joe n VAL 91 N -0.02 0.06 -3.12 3.15 0.24 -1.06 -4.53 118.33 113.05 2joe n VAL 91 Ca 0.00 -0.01 -0.43 0.00 -2.04 0.00 0.00 64.34 61.86 2joe n VAL 91 Cb 0.13 -1.79 -0.06 0.00 -1.47 0.00 0.00 33.84 30.64 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 1.31 6.27 0.10 -1.34 2.15 -1.22 -4.92 116.67 119.01 2joe s ASP 92 Ca 0.78 -0.65 0.20 0.00 0.43 0.00 0.00 52.55 53.32 2joe s ASP 92 Cb -0.59 -2.31 0.83 0.00 -0.30 0.00 0.00 42.92 40.55 2joe s ASP 92 CO 0.36 -0.86 1.63 0.49 -0.17 0.00 0.00 175.17 176.61 2joe n PHE 93 N 6.29 0.34 -0.07 -5.34 3.01 -1.26 -1.36 117.46 119.07 2joe n PHE 93 Ca -0.04 0.13 -0.14 0.00 1.01 0.00 0.00 57.45 58.40 2joe n PHE 93 Cb 0.47 -0.70 -0.06 0.00 -0.01 0.00 0.00 39.48 39.18 2joe n PHE 93 CO 0.00 0.00 0.00 0.87 1.01 0.00 0.00 176.76 178.64 2joe h LYS 94 N 0.00 0.67 0.05 -1.08 1.57 -2.00 -0.26 116.57 115.52 2joe h LYS 94 Ca 0.00 -0.42 -0.23 0.00 -1.87 0.00 0.00 60.65 58.13 2joe h LYS 94 Cb 0.36 0.05 -0.01 0.00 0.08 0.00 0.00 32.23 32.70 2joe h LYS 94 CO 0.00 1.03 -1.07 0.00 -0.57 0.00 0.00 179.45 178.85 2joe h ALA 95 N 0.63 0.29 0.00 3.86 0.00 -1.91 -3.23 119.26 118.90 2joe h ALA 95 Ca 0.02 -0.87 0.00 0.00 0.00 0.00 0.00 54.91 54.06 2joe h ALA 95 Cb 0.99 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.70 2joe h ALA 95 CO 0.09 1.09 0.00 1.25 0.00 0.00 0.00 179.25 181.68 2joe h LEU 96 N 0.04 0.00 -1.87 0.00 5.85 -1.14 -2.63 115.31 115.56 2joe h LEU 96 Ca -0.06 0.00 0.08 0.00 0.84 0.00 0.00 57.88 58.74 2joe h LEU 96 Cb 1.80 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 42.81 2joe h LEU 96 CO 0.16 0.00 0.26 -0.61 -0.34 0.00 0.00 178.44 177.91 2joe h GLN 97 N 0.00 0.15 0.05 1.25 4.15 -1.06 -2.53 115.11 117.12 2joe h GLN 97 Ca 0.00 -0.01 -0.19 0.00 0.77 0.00 0.00 58.65 59.22 2joe h GLN 97 Cb 0.38 -0.03 -0.01 0.00 0.21 0.00 0.00 27.48 28.02 2joe h GLN 97 CO 0.00 0.10 -0.98 0.78 -1.93 0.00 0.00 178.83 176.80 2joe h GLY 98 N 0.15 0.11 -7.53 2.39 0.00 -1.69 -3.43 103.07 93.08 2joe h GLY 98 Ca 0.17 -0.29 -0.67 0.00 0.00 0.00 0.00 47.33 46.53 2joe h GLY 98 CO -0.02 0.26 -0.57 -0.26 0.00 0.00 0.00 176.54 175.94 2joe s ILE 99 N -2.37 2.96 -0.21 2.60 -4.36 -1.00 -4.90 121.20 113.93 2joe s ILE 99 Ca -0.22 -2.60 0.09 0.00 -0.26 0.00 0.00 60.65 57.65 2joe s ILE 99 Cb 0.03 -3.05 -0.19 0.00 1.25 0.00 0.00 42.46 40.51 2joe s ILE 99 CO 0.69 -0.73 -0.08 -1.20 0.24 0.00 0.00 174.94 173.86 2joe n SER 100 N 3.95 1.41 0.00 4.36 7.64 -0.99 -4.49 113.62 125.50 2joe n SER 100 Ca 0.03 -0.07 0.00 0.00 1.01 0.00 0.00 58.87 59.85 2joe n SER 100 Cb 0.39 0.26 0.00 0.00 -1.01 0.00 0.00 64.21 63.85 2joe n SER 100 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2joe n GLY 101 N 2.15 1.75 3.35 0.23 0.00 -1.26 -4.99 105.19 106.42 2joe n GLY 101 Ca -0.35 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.23 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 -3.15 5.02 -0.41 -0.61 1.01 -1.26 -4.92 121.20 116.88 2joe s ILE 102 Ca 0.00 -1.20 0.04 0.00 0.00 0.00 0.00 60.65 59.49 2joe s ILE 102 Cb 0.00 -4.05 0.62 0.00 0.01 0.00 0.00 42.46 39.04 2joe s ILE 102 CO 0.00 -0.61 1.83 0.59 0.00 0.00 0.00 174.94 176.75 2joe n ASN 103 N 5.15 3.76 0.00 3.58 3.02 -1.26 -4.54 115.26 124.97 2joe n ASN 103 Ca -0.12 -3.44 0.00 0.00 -0.03 0.00 0.00 54.58 50.99 2joe n ASN 103 Cb 0.43 -0.80 0.00 0.00 -0.61 0.00 0.00 39.78 38.80 2joe n ASN 103 CO 0.00 0.00 0.00 0.52 -2.62 0.00 0.00 177.26 175.16 2joe n VAL 104 N -0.94 0.00 -4.40 2.41 0.31 -1.26 -5.04 118.33 109.41 2joe n VAL 104 Ca 0.53 0.00 -0.24 0.00 -0.01 0.00 0.00 64.34 64.62 2joe n VAL 104 Cb 1.56 -0.85 -0.17 0.00 -0.91 0.00 0.00 33.84 33.47 2joe n VAL 104 CO 0.00 0.00 0.00 -0.44 -1.32 0.00 0.00 176.83 175.07 2joe s SER 105 N -0.72 1.71 0.38 4.52 0.01 -1.26 -4.99 113.70 113.36 2joe s SER 105 Ca 0.00 -0.27 0.20 0.00 1.31 0.00 0.00 55.95 57.19 2joe s SER 105 Cb 0.00 -0.77 0.62 0.00 0.21 0.00 0.00 66.02 66.08 2joe s SER 105 CO 0.00 -0.01 1.70 0.00 0.41 0.00 0.00 173.24 175.34 2joe h ALA 106 N 7.21 0.92 -0.26 1.44 0.00 -1.97 -2.83 119.26 123.78 2joe h ALA 106 Ca -0.32 -0.30 -0.00 0.00 0.00 0.00 0.00 54.91 54.29 2joe h ALA 106 Cb 1.17 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.90 2joe h ALA 106 CO 0.46 0.41 0.15 1.49 0.00 0.00 0.00 179.25 181.76 2joe h GLU 107 N 0.00 0.35 -0.08 0.00 4.22 -1.96 -0.47 114.58 116.65 2joe h GLU 107 Ca -0.00 -0.03 -0.17 0.00 0.08 0.00 0.00 59.36 59.24 2joe h GLU 107 Cb 0.96 -0.08 -0.01 0.00 0.50 0.00 0.00 28.75 30.13 2joe h GLU 107 CO 0.04 0.26 -0.69 -0.44 -2.18 0.00 0.00 179.01 176.00 2joe h ASP 108 N 0.36 0.41 0.12 1.04 3.32 -1.92 -1.86 116.42 117.88 2joe h ASP 108 Ca 0.10 -0.26 -0.14 0.00 0.02 0.00 0.00 57.03 56.74 2joe h ASP 108 Cb 0.00 -0.12 -0.01 0.00 0.22 0.00 0.00 39.33 39.42 2joe h ASP 108 CO -0.02 0.98 -0.49 0.00 -1.72 0.00 0.00 179.24 178.00 2joe h ALA 109 N 1.01 0.86 -0.08 3.45 0.00 -1.31 -2.17 119.26 121.02 2joe h ALA 109 Ca -0.02 -0.48 0.00 0.00 0.00 0.00 0.00 54.91 54.41 2joe h ALA 109 Cb 1.25 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.95 2joe h ALA 109 CO 0.12 0.66 0.00 1.63 0.00 0.00 0.00 179.25 181.66 2joe n LYS 110 N -3.98 1.35 -0.12 0.00 5.02 -0.28 -3.73 118.16 116.43 2joe n LYS 110 Ca -0.02 -0.52 -0.16 0.00 -2.02 0.00 0.00 58.31 55.59 2joe n LYS 110 Cb 0.55 -1.33 -0.11 0.00 -0.02 0.00 0.00 35.03 34.12 2joe n LYS 110 CO 0.00 0.00 0.00 1.17 -0.52 0.00 0.00 177.40 178.05 2joe n LYS 111 N -0.26 0.61 0.00 1.97 4.81 -0.71 -5.04 118.16 119.54 2joe n LYS 111 Ca 0.15 0.13 0.00 0.00 -0.87 0.00 0.00 58.31 57.71 2joe n LYS 111 Cb 0.19 -1.47 0.00 0.00 0.02 0.00 0.00 35.03 33.77 2joe n LYS 111 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 2joe n GLY 112 N 2.35 2.31 3.61 3.14 0.00 -0.95 -5.05 105.19 110.61 2joe n GLY 112 Ca -0.41 -0.88 -0.43 0.00 0.00 0.00 0.00 46.02 44.30 2joe n GLY 112 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2joe s ILE 113 N 0.00 3.99 0.45 -0.61 -1.09 -1.26 -4.96 121.20 117.72 2joe s ILE 113 Ca 0.00 1.07 0.07 0.00 -2.23 0.00 0.00 60.65 59.56 2joe s ILE 113 Cb 0.00 -4.16 -0.00 0.00 -1.58 0.00 0.00 42.46 36.72 2joe s ILE 113 CO 0.00 -0.61 0.40 0.42 -1.23 0.00 0.00 174.94 173.92 2joe s THR 114 N 4.97 2.41 0.19 2.92 -4.23 -1.26 -4.15 115.64 116.48 2joe s THR 114 Ca 0.60 -1.36 0.06 0.00 -1.18 0.00 0.00 61.69 59.81 2joe s THR 114 Cb -0.16 -2.77 -0.13 0.00 1.34 0.00 0.00 72.50 70.79 2joe s THR 114 CO 0.28 0.00 1.42 -0.03 -0.54 0.00 0.00 174.62 175.76 2joe h MET 115 N 0.93 0.08 -0.97 3.99 4.05 -0.29 -2.31 114.93 120.41 2joe h MET 115 Ca -0.40 -0.08 0.01 0.00 -0.28 0.00 0.00 59.70 58.95 2joe h MET 115 Cb 1.27 0.02 -0.05 0.00 -0.80 0.00 0.00 31.60 32.05 2joe h MET 115 CO 0.57 0.86 0.64 0.00 0.23 0.00 0.00 176.91 179.21 2joe h ALA 116 N 1.11 1.31 0.38 0.39 0.00 -1.96 0.15 119.26 120.64 2joe h ALA 116 Ca -0.02 -0.06 -0.01 0.00 0.00 0.00 0.00 54.91 54.81 2joe h ALA 116 Cb 1.45 -0.39 -0.01 0.00 0.00 0.00 0.00 17.79 18.84 2joe h ALA 116 CO 0.12 0.63 -0.28 0.37 0.00 0.00 0.00 179.25 180.09 2joe h GLN 117 N 1.31 -0.60 -0.62 0.00 5.75 -1.89 -2.69 115.11 116.36 2joe h GLN 117 Ca 0.36 0.04 0.12 0.00 -0.15 0.00 0.00 58.65 59.02 2joe h GLN 117 Cb -0.14 0.14 -0.09 0.00 1.07 0.00 0.00 27.48 28.46 2joe h GLN 117 CO -0.08 -0.40 0.12 0.52 -2.65 0.00 0.00 178.83 176.34 2joe h MET 118 N -0.62 0.24 0.44 1.69 2.86 -0.97 0.44 114.93 119.01 2joe h MET 118 Ca -0.05 -0.01 -0.01 0.00 -2.06 0.00 0.00 59.70 57.57 2joe h MET 118 Cb 0.51 -0.05 -0.02 0.00 0.06 0.00 0.00 31.60 32.10 2joe h MET 118 CO 0.02 0.16 -0.47 0.93 1.06 0.00 0.00 176.91 178.61 2joe h GLU 119 N 0.25 -0.89 -0.34 1.72 4.39 -0.75 0.38 114.58 119.34 2joe h GLU 119 Ca 0.33 0.06 -0.07 0.00 0.34 0.00 0.00 59.36 60.02 2joe h GLU 119 Cb 0.51 0.20 -0.02 0.00 -0.10 0.00 0.00 28.75 29.35 2joe h GLU 119 CO -0.43 -0.59 -0.10 -0.07 -1.16 0.00 0.00 179.01 176.65 2joe h LEU 120 N -0.93 0.55 -0.21 1.33 3.38 -1.09 -2.67 115.31 115.68 2joe h LEU 120 Ca -0.05 -0.14 -0.21 0.00 0.09 0.00 0.00 57.88 57.57 2joe h LEU 120 Cb 0.82 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 41.41 2joe h LEU 120 CO -0.08 0.69 -0.93 0.58 0.09 0.00 0.00 178.44 178.79 2joe h VAL 121 N 0.53 1.50 -0.56 1.22 2.07 0.11 -1.48 116.25 119.64 2joe h VAL 121 Ca 0.10 -2.69 -0.10 0.00 0.82 0.00 0.00 66.70 64.82 2joe h VAL 121 Cb 0.49 2.53 -0.02 0.00 -1.52 0.00 0.00 31.29 32.77 2joe h VAL 121 CO 0.03 0.79 -0.05 0.24 0.02 0.00 0.00 177.57 178.59 2joe h MET 122 N 0.11 1.02 -0.03 1.57 2.86 -0.13 -2.60 114.93 117.74 2joe h MET 122 Ca -0.05 -0.35 -0.06 0.00 -2.06 0.00 0.00 59.70 57.17 2joe h MET 122 Cb 1.58 -0.08 -0.01 0.00 0.06 0.00 0.00 31.60 33.15 2joe h MET 122 CO 0.14 1.04 -0.26 -0.22 1.06 0.00 0.00 176.91 178.67 2joe h LYS 123 N 0.91 0.05 0.13 1.72 3.64 -1.31 0.27 116.57 121.97 2joe h LYS 123 Ca 0.15 -0.01 -0.01 0.00 -1.27 0.00 0.00 60.65 59.51 2joe h LYS 123 Cb 0.62 -0.01 0.00 0.00 -0.41 0.00 0.00 32.23 32.43 2joe h LYS 123 CO 0.04 0.31 -0.06 0.00 -2.27 0.00 0.00 179.45 177.47 2joe h ALA 124 N 1.69 -0.17 0.00 5.00 0.00 -0.91 -3.05 119.26 121.82 2joe h ALA 124 Ca 0.01 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.74 2joe h ALA 124 Cb 0.49 0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.35 2joe h ALA 124 CO 0.04 -0.43 0.00 0.00 0.00 0.00 0.00 179.25 178.85 2joe n ALA 125 N -2.35 2.16 -2.46 0.00 0.00 -1.03 -4.91 120.51 111.92 2joe n ALA 125 Ca -0.09 -0.05 -0.03 0.00 0.00 0.00 0.00 53.44 53.28 2joe n ALA 125 Cb 0.21 -1.43 0.01 0.00 0.00 0.00 0.00 19.45 18.24 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 1.10 0.60 3.83 0.00 0.00 -0.42 -5.04 105.19 105.27 2joe n GLY 126 Ca 0.06 -0.50 -0.33 0.00 0.00 0.00 0.00 46.02 45.25 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 -3.04 3.36 -0.41 1.61 0.08 -0.05 -5.03 117.98 114.51 2joe s PHE 127 Ca 0.05 1.51 -0.18 0.00 0.12 0.00 0.00 56.93 58.42 2joe s PHE 127 Cb -0.02 -2.78 0.01 0.00 -0.57 0.00 0.00 43.02 39.66 2joe s PHE 127 CO 0.09 -0.15 0.51 0.15 -0.10 0.00 0.00 175.22 175.72 2joe s LYS 128 N -3.42 3.30 0.18 0.44 1.02 -1.26 -4.79 119.74 115.21 2joe s LYS 128 Ca 0.60 -0.48 -0.30 0.00 0.02 0.00 0.00 55.97 55.81 2joe s LYS 128 Cb -0.09 -3.92 -0.08 0.00 -0.52 0.00 0.00 37.83 33.22 2joe s LYS 128 CO 0.19 -0.83 1.22 -2.00 -0.92 0.00 0.00 175.35 173.01 2joe s GLU 129 N 2.40 4.47 -0.50 1.68 -6.30 -1.26 -0.60 118.70 118.58 2joe s GLU 129 Ca 0.17 1.90 0.05 0.00 -2.50 0.00 0.00 54.97 54.59 2joe s GLU 129 Cb -0.16 -3.24 0.18 0.00 0.00 0.00 0.00 34.13 30.91 2joe s GLU 129 CO 0.15 -0.14 0.43 0.28 0.02 0.00 0.00 175.26 176.00 2joe n VAL 130 N 2.68 -0.17 -1.95 3.70 0.31 0.24 -4.84 118.33 118.30 2joe n VAL 130 Ca 0.05 -3.99 -0.38 0.00 -0.01 0.00 0.00 64.34 60.01 2joe n VAL 130 Cb 0.44 -1.86 0.03 0.00 -0.91 0.00 0.00 33.84 31.54 2joe n VAL 130 CO 0.00 0.00 0.00 -0.54 -1.32 0.00 0.00 176.83 174.97 2joe s LYS 131 N -0.65 3.27 0.79 5.55 1.02 -1.24 -3.14 119.74 125.33 2joe s LYS 131 Ca 0.31 2.03 -0.11 0.00 0.02 0.00 0.00 55.97 58.23 2joe s LYS 131 Cb 0.04 -2.24 0.06 0.00 -0.52 0.00 0.00 37.83 35.17 2joe s LYS 131 CO -0.17 -1.02 1.09 -0.51 -0.92 0.00 0.00 175.35 173.82 2joe s LEU 132 N -3.49 2.66 0.70 3.17 1.02 -1.26 -4.95 118.68 116.53 2joe s LEU 132 Ca 0.70 1.35 -0.16 0.00 0.02 0.00 0.00 54.13 56.04 2joe s LEU 132 Cb -0.35 -3.99 0.02 0.00 0.02 0.00 0.00 46.19 41.88 2joe s LEU 132 CO 0.41 -1.92 1.23 -1.61 0.02 0.00 0.00 176.35 174.48 2joe s GLU 133 N -5.14 2.32 -0.12 1.70 2.02 -1.26 -4.86 118.70 113.35 2joe s GLU 133 Ca 0.60 1.83 -0.01 0.00 0.02 0.00 0.00 54.97 57.42 2joe s GLU 133 Cb -0.14 -1.85 0.07 0.00 0.10 0.00 0.00 34.13 32.31 2joe s GLU 133 CO 0.54 -1.72 2.10 0.72 0.02 0.00 0.00 175.26 176.93 2joe n HIS 134 N -2.41 0.59 0.89 1.61 8.25 -1.26 -4.30 115.22 118.58 2joe n HIS 134 Ca 0.14 -1.39 0.13 0.00 -0.26 0.00 0.00 57.72 56.34 2joe n HIS 134 Cb 0.50 -0.73 0.56 0.00 1.12 0.00 0.00 29.99 31.43 2joe n HIS 134 CO 0.00 0.00 0.00 1.58 0.64 0.00 0.00 176.34 178.56 2joe n HIS 135 N 1.12 0.16 -0.02 4.41 -0.00 -1.26 -2.74 115.22 116.89 2joe n HIS 135 Ca 0.14 0.05 -0.02 0.00 -0.00 0.00 0.00 57.72 57.89 2joe n HIS 135 Cb 0.55 -0.58 -0.01 0.00 -0.00 0.00 0.00 29.99 29.95 2joe n HIS 135 CO 0.00 0.00 0.00 0.72 -0.00 0.00 0.00 176.34 177.06 2joe n HIS 136 N -1.64 0.03 -3.29 1.57 8.25 -1.26 -4.83 115.22 114.06 2joe n HIS 136 Ca 0.06 0.01 -0.46 0.00 -0.26 0.00 0.00 57.72 57.07 2joe n HIS 136 Cb 0.34 -0.15 -0.03 0.00 1.12 0.00 0.00 29.99 31.27 2joe n HIS 136 CO 0.00 0.00 0.00 -1.58 0.64 0.00 0.00 176.34 175.40 2joe s HIS 137 N -1.43 3.48 -0.33 4.41 5.65 -1.25 -4.95 115.29 120.87 2joe s HIS 137 Ca -0.06 -1.61 -0.07 0.00 0.25 0.00 0.00 55.06 53.57 2joe s HIS 137 Cb 0.01 -3.85 -0.23 0.00 -1.18 0.00 0.00 32.58 27.33 2joe s HIS 137 CO 0.09 -1.05 3.48 -2.39 -0.65 0.00 0.00 174.74 174.23 2joe n HIS 138 N 4.77 0.51 -1.00 3.88 1.44 -1.11 -4.70 115.22 119.01 2joe n HIS 138 Ca 0.02 -1.82 0.00 0.00 -2.01 0.00 0.00 57.72 53.90 2joe n HIS 138 Cb 0.44 -1.77 0.00 0.00 0.12 0.00 0.00 29.99 28.78 2joe n HIS 138 CO 0.00 0.00 0.00 1.58 -2.81 0.00 0.00 176.34 175.11