#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1joe s ASP 10 N 0.00 5.66 0.61 6.55 3.68 -1.26 -4.80 116.67 127.11 1joe s ASP 10 Ca 0.00 0.17 0.38 0.00 2.13 0.00 0.00 52.55 55.22 1joe s ASP 10 Cb 0.00 -2.54 2.00 0.00 -1.45 0.00 0.00 42.92 40.93 1joe s ASP 10 CO 0.00 -2.11 2.24 0.45 0.13 0.00 0.00 175.17 175.89 1joe h HIS 11 N 13.00 0.00 0.00 -5.34 3.86 -1.95 -0.77 115.15 123.94 1joe h HIS 11 Ca -0.27 0.00 -0.13 0.00 -1.16 0.00 0.00 60.37 58.81 1joe h HIS 11 Cb 1.12 0.00 -0.02 0.00 1.06 0.00 0.00 27.41 29.57 1joe h HIS 11 CO 1.06 0.02 -0.63 1.79 0.86 0.00 0.00 177.93 181.04 1joe h THR 12 N 0.00 1.27 -0.04 2.45 1.35 -1.87 -3.24 112.91 112.84 1joe h THR 12 Ca -0.00 -2.28 -0.20 0.00 -0.55 0.00 0.00 66.41 63.38 1joe h THR 12 Cb 0.14 2.29 -0.00 0.00 -1.73 0.00 0.00 68.15 68.85 1joe h THR 12 CO 0.00 0.61 -0.84 0.07 -0.25 0.00 0.00 175.52 175.12 1joe h LYS 13 N 0.00 0.38 -7.42 4.72 2.10 -1.54 -3.47 116.57 111.36 1joe h LYS 13 Ca -0.01 -0.37 -0.50 0.00 -2.00 0.00 0.00 60.65 57.78 1joe h LYS 13 Cb 1.24 0.09 0.09 0.00 -0.90 0.00 0.00 32.23 32.75 1joe h LYS 13 CO 0.08 1.03 0.38 0.00 -2.00 0.00 0.00 179.45 178.94 1joe s MET 14 N -3.42 2.75 0.37 0.07 0.23 -1.10 -5.08 119.30 113.12 1joe s MET 14 Ca -0.05 0.64 0.06 0.00 -1.03 0.00 0.00 55.69 55.30 1joe s MET 14 Cb 0.10 -1.99 -0.07 0.00 -1.53 0.00 0.00 34.83 31.33 1joe s MET 14 CO 0.85 -1.15 0.02 0.54 -2.03 0.00 0.00 175.02 173.25 1joe s ASN 15 N -4.10 3.25 0.00 -1.18 6.03 -1.26 -4.84 114.94 112.84 1joe s ASN 15 Ca 0.58 -1.36 -0.20 0.00 -1.03 0.00 0.00 52.86 50.86 1joe s ASN 15 Cb -0.13 -0.27 0.04 0.00 -3.03 0.00 0.00 41.25 37.87 1joe s ASN 15 CO 0.53 -0.50 0.43 0.00 -2.03 0.00 0.00 177.10 175.53 1joe s ALA 16 N -2.95 -1.09 0.29 3.54 0.00 -1.26 -4.30 121.76 115.99 1joe s ALA 16 Ca 0.35 0.54 -0.28 0.00 0.00 0.00 0.00 51.96 52.57 1joe s ALA 16 Cb 0.09 0.16 -0.09 0.00 0.00 0.00 0.00 23.12 23.28 1joe s ALA 16 CO 0.17 -0.36 1.00 -2.14 0.00 0.00 0.00 175.76 174.43 1joe s PRO 17 N -1.73 4.65 -0.29 0.00 0.02 -1.24 -4.79 135.00 131.62 1joe s PRO 17 Ca -0.10 1.55 -0.16 0.00 0.02 0.00 0.00 61.00 62.31 1joe s PRO 17 Cb -0.02 -3.06 0.12 0.00 0.02 0.00 0.00 34.50 31.55 1joe s PRO 17 CO 0.03 0.30 0.86 0.00 -0.33 0.00 0.00 177.00 177.86 1joe s ALA 18 N -1.32 -2.12 0.77 -1.55 0.00 -0.88 -1.19 121.76 115.48 1joe s ALA 18 Ca 0.46 2.29 -0.12 0.00 0.00 0.00 0.00 51.96 54.59 1joe s ALA 18 Cb -0.26 -1.60 0.06 0.00 0.00 0.00 0.00 23.12 21.33 1joe s ALA 18 CO 0.32 -0.36 1.13 0.08 0.00 0.00 0.00 175.76 176.94 1joe s VAL 19 N 1.44 2.82 -0.30 0.00 1.01 -1.16 -3.36 120.40 120.85 1joe s VAL 19 Ca -0.09 0.31 -0.12 0.00 0.00 0.00 0.00 61.98 62.08 1joe s VAL 19 Cb -0.04 -2.71 0.16 0.00 0.00 0.00 0.00 36.38 33.79 1joe s VAL 19 CO -0.17 -0.30 0.87 -0.60 0.00 0.00 0.00 175.10 174.90 1joe s ARG 20 N -4.49 0.38 -0.71 2.72 3.52 -1.20 -0.68 118.95 118.50 1joe s ARG 20 Ca 0.66 0.90 -0.28 0.00 -0.13 0.00 0.00 55.73 56.88 1joe s ARG 20 Cb -0.21 0.53 -0.14 0.00 -1.56 0.00 0.00 34.95 33.58 1joe s ARG 20 CO 0.51 -0.20 2.53 -0.89 -0.81 0.00 0.00 175.30 176.44 1joe n ILE 21 N 5.21 -0.05 -0.05 4.11 5.41 -1.26 -1.45 119.36 131.27 1joe n ILE 21 Ca -0.09 -0.48 -0.14 0.00 1.00 0.00 0.00 62.75 63.04 1joe n ILE 21 Cb 0.52 -1.83 -0.07 0.00 -0.71 0.00 0.00 39.64 37.54 1joe n ILE 21 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1joe h ALA 22 N 16.34 0.27 -1.62 -1.39 0.00 -0.79 -3.46 119.26 128.60 1joe h ALA 22 Ca -0.15 -0.43 0.06 0.00 0.00 0.00 0.00 54.91 54.39 1joe h ALA 22 Cb 1.28 -0.04 -0.23 0.00 0.00 0.00 0.00 17.79 18.80 1joe h ALA 22 CO 1.25 0.32 0.50 0.21 0.00 0.00 0.00 179.25 181.53 1joe s LYS 23 N -4.02 0.65 -0.06 0.00 2.20 -0.74 -4.98 119.74 112.77 1joe s LYS 23 Ca -0.13 0.19 0.00 0.00 -0.36 0.00 0.00 55.97 55.67 1joe s LYS 23 Cb 0.06 0.30 0.02 0.00 -1.51 0.00 0.00 37.83 36.71 1joe s LYS 23 CO 0.81 -0.19 -0.05 0.99 -0.36 0.00 0.00 175.35 176.55 1joe s THR 24 N -1.03 0.65 -0.04 3.43 2.01 -1.26 -1.43 115.64 117.97 1joe s THR 24 Ca -0.03 -0.13 -0.09 0.00 0.31 0.00 0.00 61.69 61.75 1joe s THR 24 Cb -0.01 -0.69 0.01 0.00 0.01 0.00 0.00 72.50 71.83 1joe s THR 24 CO 0.02 0.27 0.21 -0.04 -0.69 0.00 0.00 174.62 174.40 1joe s MET 25 N 1.28 0.43 0.24 4.92 1.00 -1.14 -5.08 119.30 120.96 1joe s MET 25 Ca -0.05 -0.04 0.01 0.00 0.00 0.00 0.00 55.69 55.60 1joe s MET 25 Cb -0.14 0.19 -0.04 0.00 0.00 0.00 0.00 34.83 34.85 1joe s MET 25 CO -0.02 -0.09 0.42 -0.51 0.00 0.00 0.00 175.02 174.82 1joe s LEU 26 N -0.72 4.19 0.46 -0.03 1.43 -1.26 -2.06 118.68 120.70 1joe s LEU 26 Ca -0.08 0.35 -0.12 0.00 -1.03 0.00 0.00 54.13 53.25 1joe s LEU 26 Cb -0.05 -3.15 -0.06 0.00 0.03 0.00 0.00 46.19 42.96 1joe s LEU 26 CO 0.02 -0.11 0.86 0.42 0.23 0.00 0.00 176.35 177.76 1joe s THR 27 N -2.00 4.72 0.23 5.49 -4.23 0.23 -4.93 115.64 115.15 1joe s THR 27 Ca 0.38 0.77 -0.07 0.00 -1.18 0.00 0.00 61.69 61.59 1joe s THR 27 Cb -0.10 -3.75 0.21 0.00 1.34 0.00 0.00 72.50 70.20 1joe s THR 27 CO 0.31 -0.66 1.69 -0.65 -0.54 0.00 0.00 174.62 174.77 1joe h PRO 28 N 0.92 0.24 0.00 3.99 0.11 -1.99 -3.31 132.00 131.96 1joe h PRO 28 Ca -0.47 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.63 1joe h PRO 28 Cb 1.19 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 32.24 1joe h PRO 28 CO 0.63 0.16 0.00 1.63 -0.21 0.00 0.00 178.00 180.21 1joe n LYS 29 N -5.17 0.00 0.00 1.05 5.02 -1.26 -5.00 118.16 112.80 1joe n LYS 29 Ca 0.12 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.41 1joe n LYS 29 Cb 0.41 -0.08 0.00 0.00 -0.02 0.00 0.00 35.03 35.34 1joe n LYS 29 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1joe n GLY 30 N 2.52 0.00 3.62 0.72 0.00 -1.25 -5.13 105.19 105.67 1joe n GLY 30 Ca 0.00 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.70 1joe n GLY 30 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1joe n ASP 31 N -0.65 -0.08 -4.44 1.61 10.43 -1.26 -4.50 116.55 117.66 1joe n ASP 31 Ca 0.00 0.43 -0.33 0.00 2.57 0.00 0.00 54.79 57.46 1joe n ASP 31 Cb 0.06 -1.42 -0.13 0.00 1.84 0.00 0.00 41.12 41.46 1joe n ASP 31 CO 0.00 0.00 0.00 0.20 -1.07 0.00 0.00 177.20 176.33 1joe s ASN 32 N -2.42 4.10 -0.28 -2.24 0.01 -1.26 -0.60 114.94 112.24 1joe s ASN 32 Ca 0.66 -0.24 0.00 0.00 -0.71 0.00 0.00 52.86 52.58 1joe s ASN 32 Cb -0.24 -1.24 0.06 0.00 0.41 0.00 0.00 41.25 40.24 1joe s ASN 32 CO 0.59 0.26 -0.05 -0.63 -1.51 0.00 0.00 177.10 175.77 1joe s ILE 33 N -0.23 2.63 -0.09 0.60 1.09 -0.87 0.40 121.20 124.72 1joe s ILE 33 Ca 0.01 -1.51 -0.05 0.00 -1.10 0.00 0.00 60.65 58.00 1joe s ILE 33 Cb -0.13 -2.53 -0.04 0.00 -1.06 0.00 0.00 42.46 38.70 1joe s ILE 33 CO 0.03 -0.09 0.12 -0.89 -0.10 0.00 0.00 174.94 174.02 1joe s THR 34 N 1.18 5.30 -0.11 2.92 2.01 -0.03 -2.87 115.64 124.04 1joe s THR 34 Ca -0.07 0.06 0.02 0.00 0.31 0.00 0.00 61.69 62.02 1joe s THR 34 Cb -0.20 -3.33 0.01 0.00 0.01 0.00 0.00 72.50 68.99 1joe s THR 34 CO -0.03 0.56 -0.17 -0.69 -0.69 0.00 0.00 174.62 173.60 1joe s VAL 35 N -1.06 1.65 -0.09 3.82 1.01 -0.51 0.07 120.40 125.27 1joe s VAL 35 Ca 0.17 -0.74 -0.01 0.00 0.00 0.00 0.00 61.98 61.40 1joe s VAL 35 Cb -0.12 -1.48 -0.03 0.00 0.00 0.00 0.00 36.38 34.75 1joe s VAL 35 CO 0.06 0.47 -0.03 -0.36 0.00 0.00 0.00 175.10 175.25 1joe s PHE 36 N 0.87 3.07 -0.96 5.22 0.08 0.08 -0.06 117.98 126.28 1joe s PHE 36 Ca -0.08 0.06 -0.17 0.00 0.12 0.00 0.00 56.93 56.85 1joe s PHE 36 Cb -0.15 -1.80 0.15 0.00 -0.57 0.00 0.00 43.02 40.65 1joe s PHE 36 CO -0.00 0.33 1.13 0.34 -0.10 0.00 0.00 175.22 176.92 1joe s ASP 37 N -0.62 6.72 -1.41 1.36 -1.08 -0.53 -0.53 116.67 120.59 1joe s ASP 37 Ca 0.10 -2.29 -0.11 0.00 -0.52 0.00 0.00 52.55 49.73 1joe s ASP 37 Cb -0.12 -2.37 -0.06 0.00 -1.46 0.00 0.00 42.92 38.91 1joe s ASP 37 CO 0.02 -0.94 2.57 0.18 0.52 0.00 0.00 175.17 177.52 1joe n LEU 38 N 6.03 7.34 -4.57 -1.34 4.77 -0.28 -3.23 117.00 125.71 1joe n LEU 38 Ca 0.25 -3.96 -0.40 0.00 -0.03 0.00 0.00 56.01 51.86 1joe n LEU 38 Cb 0.48 -1.47 -0.03 0.00 -2.33 0.00 0.00 43.42 40.07 1joe n LEU 38 CO 0.50 1.42 1.44 -0.60 -1.33 0.00 0.00 177.39 178.82 1joe s ARG 39 N 2.83 3.03 -0.02 3.23 6.06 -1.21 -2.23 118.95 130.63 1joe s ARG 39 Ca 0.58 0.65 -0.23 0.00 -2.50 0.00 0.00 55.73 54.23 1joe s ARG 39 Cb 0.15 -4.25 -0.16 0.00 0.06 0.00 0.00 34.95 30.75 1joe s ARG 39 CO -0.05 -2.26 1.07 0.74 -2.50 0.00 0.00 175.30 172.30 1joe h PHE 40 N 12.91 -0.26 -1.71 5.12 0.05 -1.84 -2.33 116.94 128.87 1joe h PHE 40 Ca -0.28 -0.01 -0.47 0.00 3.82 0.00 0.00 57.97 61.04 1joe h PHE 40 Cb 1.13 0.09 -0.02 0.00 2.00 0.00 0.00 35.95 39.15 1joe h PHE 40 CO 1.03 0.13 -0.38 0.00 -0.18 0.00 0.00 178.31 178.92 1joe s ILE 42 N -2.30 4.62 -0.59 0.00 -1.09 -1.26 -4.68 121.20 115.90 1joe s ILE 42 Ca 0.46 1.26 -0.38 0.00 -2.23 0.00 0.00 60.65 59.75 1joe s ILE 42 Cb -0.07 -4.31 -0.18 0.00 -1.58 0.00 0.00 42.46 36.33 1joe s ILE 42 CO 0.29 -0.47 2.29 -2.65 -1.23 0.00 0.00 174.94 173.17 1joe n PRO 43 N 6.66 0.27 -0.75 2.79 -0.02 -1.26 0.66 135.00 143.35 1joe n PRO 43 Ca 0.07 0.06 0.00 0.00 -2.02 0.00 0.00 63.50 61.61 1joe n PRO 43 Cb 0.48 -1.78 0.00 0.00 -0.02 0.00 0.00 33.50 32.18 1joe n PRO 43 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 1joe n ASN 44 N 9.05 0.00 -0.06 2.55 3.02 -1.26 -4.80 115.26 123.76 1joe n ASN 44 Ca 0.54 0.00 -0.18 0.00 -0.03 0.00 0.00 54.58 54.91 1joe n ASN 44 Cb 0.06 -0.06 -0.13 0.00 -0.61 0.00 0.00 39.78 39.03 1joe n ASN 44 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 1joe n LYS 45 N -2.00 0.70 -4.50 3.52 4.01 0.21 -5.00 118.16 115.10 1joe n LYS 45 Ca 0.00 0.20 -0.24 0.00 -0.51 0.00 0.00 58.31 57.75 1joe n LYS 45 Cb 0.00 -1.63 -0.09 0.00 -0.51 0.00 0.00 35.03 32.81 1joe n LYS 45 CO 0.00 0.00 0.00 -1.83 -1.11 0.00 0.00 177.40 174.46 1joe s GLU 46 N -2.54 1.85 -0.16 1.97 -1.05 -0.86 -5.00 118.70 112.89 1joe s GLU 46 Ca -0.25 -2.10 -0.28 0.00 -0.15 0.00 0.00 54.97 52.19 1joe s GLU 46 Cb 0.08 -0.72 0.07 0.00 -0.44 0.00 0.00 34.13 33.12 1joe s GLU 46 CO 0.71 -0.38 0.73 -1.50 0.95 0.00 0.00 175.26 175.76 1joe s ILE 47 N -3.24 0.00 0.45 1.83 2.07 -1.26 -4.65 121.20 116.40 1joe s ILE 47 Ca 0.27 0.00 -0.21 0.00 -1.41 0.00 0.00 60.65 59.30 1joe s ILE 47 Cb 0.04 -1.00 -0.10 0.00 0.13 0.00 0.00 42.46 41.54 1joe s ILE 47 CO 0.14 0.00 1.00 -0.76 -1.91 0.00 0.00 174.94 173.41 1joe s LEU 48 N -0.41 3.93 0.01 8.50 1.02 0.10 -5.04 118.68 126.80 1joe s LEU 48 Ca -0.05 1.85 -0.23 0.00 0.02 0.00 0.00 54.13 55.72 1joe s LEU 48 Cb -0.03 -4.49 -0.05 0.00 0.02 0.00 0.00 46.19 41.65 1joe s LEU 48 CO 0.05 -0.57 0.68 -0.94 0.02 0.00 0.00 176.35 175.59 1joe s SER 49 N -1.99 7.08 0.49 2.29 1.04 -1.26 -4.85 113.70 116.49 1joe s SER 49 Ca 0.64 1.28 0.26 0.00 0.48 0.00 0.00 55.95 58.61 1joe s SER 49 Cb -0.14 -2.41 1.32 0.00 0.10 0.00 0.00 66.02 64.88 1joe s SER 49 CO 0.18 0.04 1.88 -0.65 0.98 0.00 0.00 173.24 175.67 1joe h PRO 50 N 5.77 0.16 0.00 4.02 0.11 -1.97 0.34 132.00 140.42 1joe h PRO 50 Ca -0.44 -0.01 -0.08 0.00 0.11 0.00 0.00 66.00 65.58 1joe h PRO 50 Cb 1.20 -0.04 -0.01 0.00 0.11 0.00 0.00 31.00 32.27 1joe h PRO 50 CO 0.71 0.10 -0.46 0.87 -0.21 0.00 0.00 178.00 179.01 1joe h LYS 51 N 0.16 0.00 -0.07 1.05 1.57 -1.93 -3.24 116.57 114.11 1joe h LYS 51 Ca 0.44 0.00 0.04 0.00 -1.87 0.00 0.00 60.65 59.26 1joe h LYS 51 Cb 1.48 0.00 -0.06 0.00 0.08 0.00 0.00 32.23 33.72 1joe h LYS 51 CO -0.08 0.81 -0.44 0.78 -0.57 0.00 0.00 179.45 179.95 1joe h GLY 52 N -1.00 -0.80 0.71 3.86 0.00 -1.60 0.11 103.07 104.35 1joe h GLY 52 Ca -0.12 0.54 0.18 0.00 0.00 0.00 0.00 47.33 47.93 1joe h GLY 52 CO -0.07 -0.23 0.47 1.19 0.00 0.00 0.00 176.54 177.90 1joe h ILE 53 N -0.55 0.71 0.06 2.60 2.10 -0.54 0.48 117.51 122.38 1joe h ILE 53 Ca 0.06 -0.04 -0.00 0.00 1.08 0.00 0.00 64.86 65.95 1joe h ILE 53 Cb 0.65 0.58 0.00 0.00 -1.09 0.00 0.00 36.82 36.96 1joe h ILE 53 CO -0.37 0.02 -0.03 -0.74 -1.08 0.00 0.00 178.15 175.96 1joe h HIS 54 N 0.12 -0.07 -0.57 2.19 2.76 -1.25 -0.73 115.15 117.60 1joe h HIS 54 Ca 0.32 -0.00 0.06 0.00 -2.20 0.00 0.00 60.37 58.55 1joe h HIS 54 Cb 1.11 0.02 -0.03 0.00 1.55 0.00 0.00 27.41 30.07 1joe h HIS 54 CO -0.00 0.39 0.38 1.15 -1.30 0.00 0.00 177.93 178.55 1joe h THR 55 N -0.97 0.99 0.47 6.26 2.02 -0.79 -2.65 112.91 118.25 1joe h THR 55 Ca -0.01 -0.19 -0.02 0.00 0.77 0.00 0.00 66.41 66.96 1joe h THR 55 Cb 0.50 0.40 0.00 0.00 -1.74 0.00 0.00 68.15 67.31 1joe h THR 55 CO 0.01 0.10 -0.23 0.25 0.37 0.00 0.00 175.52 176.03 1joe h LEU 56 N 0.54 -0.53 -0.95 2.58 5.85 -0.91 -3.17 115.31 118.71 1joe h LEU 56 Ca 0.25 -0.03 0.22 0.00 0.84 0.00 0.00 57.88 59.16 1joe h LEU 56 Cb 0.28 0.14 -0.18 0.00 0.37 0.00 0.00 40.66 41.27 1joe h LEU 56 CO -0.07 -0.31 -0.11 -0.08 -0.34 0.00 0.00 178.44 177.53 1joe h GLU 57 N -0.72 0.01 -0.32 1.25 4.81 -0.75 0.23 114.58 119.08 1joe h GLU 57 Ca -0.06 -0.00 0.07 0.00 -0.13 0.00 0.00 59.36 59.23 1joe h GLU 57 Cb 0.53 -0.00 -0.08 0.00 0.63 0.00 0.00 28.75 29.82 1joe h GLU 57 CO 0.11 0.01 -0.35 0.45 -0.73 0.00 0.00 179.01 178.50 1joe h HIS 58 N 0.01 -0.97 -0.16 0.92 3.86 -1.52 -2.82 115.15 114.48 1joe h HIS 58 Ca 0.52 0.05 -0.08 0.00 -1.16 0.00 0.00 60.37 59.70 1joe h HIS 58 Cb 0.93 0.47 -0.00 0.00 1.06 0.00 0.00 27.41 29.87 1joe h HIS 58 CO -0.61 -0.40 -0.20 -0.07 0.86 0.00 0.00 177.93 177.51 1joe h LEU 59 N -0.31 0.44 -0.01 2.43 3.38 -0.72 -3.15 115.31 117.38 1joe h LEU 59 Ca 0.14 -0.51 0.00 0.00 0.09 0.00 0.00 57.88 57.61 1joe h LEU 59 Cb 0.55 -0.13 -0.00 0.00 0.09 0.00 0.00 40.66 41.17 1joe h LEU 59 CO -0.49 0.86 -0.02 0.15 0.09 0.00 0.00 178.44 179.03 1joe h PHE 60 N 0.04 -0.06 0.00 1.13 3.57 -0.81 -0.65 116.94 120.16 1joe h PHE 60 Ca 0.02 0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.51 1joe h PHE 60 Cb 0.75 0.03 -0.00 0.00 2.79 0.00 0.00 35.95 39.52 1joe h PHE 60 CO 0.09 -0.02 -0.04 0.00 -2.23 0.00 0.00 178.31 176.11 1joe h ALA 61 N -1.33 1.19 0.00 2.41 0.00 -1.63 0.90 119.26 120.79 1joe h ALA 61 Ca 0.00 -0.03 -0.11 0.00 0.00 0.00 0.00 54.91 54.77 1joe h ALA 61 Cb 0.02 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 17.79 1joe h ALA 61 CO -0.02 0.05 -0.52 0.78 0.00 0.00 0.00 179.25 179.54 1joe h GLY 62 N 0.57 0.00 0.07 0.00 0.00 -1.34 -3.00 103.07 99.36 1joe h GLY 62 Ca -0.00 0.00 -0.39 0.00 0.00 0.00 0.00 47.33 46.94 1joe h GLY 62 CO 0.00 0.00 -2.43 0.69 0.00 0.00 0.00 176.54 174.81 1joe n PHE 63 N -3.77 0.14 0.27 5.60 3.72 0.20 -4.12 117.46 119.49 1joe n PHE 63 Ca -0.01 0.03 0.11 0.00 -0.05 0.00 0.00 57.45 57.53 1joe n PHE 63 Cb 0.56 -1.02 0.73 0.00 -0.94 0.00 0.00 39.48 38.81 1joe n PHE 63 CO 0.00 0.00 0.00 0.52 -0.05 0.00 0.00 176.76 177.23 1joe h MET 64 N 0.01 0.00 0.00 -1.08 2.86 0.57 0.36 114.93 117.65 1joe h MET 64 Ca -0.56 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.08 1joe h MET 64 Cb 1.92 0.00 0.00 0.00 0.06 0.00 0.00 31.60 33.58 1joe h MET 64 CO -0.07 0.09 0.00 0.54 1.06 0.00 0.00 176.91 178.53 1joe n ARG 65 N -3.92 0.15 -0.08 1.72 1.74 -1.13 -0.74 116.66 114.40 1joe n ARG 65 Ca -0.02 0.34 -0.23 0.00 -0.77 0.00 0.00 57.85 57.17 1joe n ARG 65 Cb 0.18 -1.77 -0.12 0.00 -1.02 0.00 0.00 32.46 29.73 1joe n ARG 65 CO 0.00 0.00 0.00 -0.25 -1.52 0.00 0.00 177.63 175.86 1joe n ASP 66 N -2.06 1.95 0.02 0.55 8.00 0.12 -3.98 116.55 121.14 1joe n ASP 66 Ca 0.03 0.33 -0.22 0.00 0.71 0.00 0.00 54.79 55.65 1joe n ASP 66 Cb 0.25 -0.90 -0.14 0.00 -0.02 0.00 0.00 41.12 40.31 1joe n ASP 66 CO 0.00 0.00 0.00 0.45 -0.39 0.00 0.00 177.20 177.26 1joe h HIS 67 N -0.68 0.48 0.00 1.24 3.86 -1.40 -3.45 115.15 115.21 1joe h HIS 67 Ca -0.42 -0.35 0.00 0.00 -1.16 0.00 0.00 60.37 58.44 1joe h HIS 67 Cb 1.56 -0.02 0.00 0.00 1.06 0.00 0.00 27.41 30.01 1joe h HIS 67 CO 0.07 1.57 0.00 -0.11 0.86 0.00 0.00 177.93 180.32 1joe n LEU 68 N -3.88 0.00 0.00 2.43 7.94 0.08 -4.78 117.00 118.80 1joe n LEU 68 Ca -0.25 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.65 1joe n LEU 68 Cb 0.92 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.87 1joe n LEU 68 CO 0.42 0.00 0.00 -3.20 -1.11 0.00 0.00 177.39 173.50 1joe n ASN 69 N 0.00 0.00 0.00 1.96 5.15 -1.12 -4.75 115.26 116.49 1joe n ASN 69 Ca 0.00 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 53.98 1joe n ASN 69 Cb 0.00 0.00 0.00 0.00 -0.53 0.00 0.00 39.78 39.25 1joe n ASN 69 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1joe n GLY 70 N 0.00 0.65 0.00 8.20 0.00 -1.25 -4.69 105.19 108.11 1joe n GLY 70 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1joe n GLY 70 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1joe n ASP 71 N 0.00 0.09 0.00 1.61 8.00 -1.26 -4.72 116.55 120.27 1joe n ASP 71 Ca 0.00 -0.40 0.00 0.00 0.71 0.00 0.00 54.79 55.10 1joe n ASP 71 Cb 0.00 0.49 0.00 0.00 -0.02 0.00 0.00 41.12 41.59 1joe n ASP 71 CO 0.00 0.00 0.00 -1.20 -0.39 0.00 0.00 177.20 175.61 1joe n SER 72 N -0.49 0.85 -4.36 -2.24 7.64 -1.26 -4.99 113.62 108.77 1joe n SER 72 Ca 0.00 -1.26 -0.30 0.00 1.01 0.00 0.00 58.87 58.32 1joe n SER 72 Cb 0.02 0.00 -0.14 0.00 -1.01 0.00 0.00 64.21 63.08 1joe n SER 72 CO 0.00 0.00 0.00 -0.63 -3.01 0.00 0.00 175.04 171.40 1joe s ILE 73 N -0.26 2.19 -0.03 0.44 1.01 -1.26 -4.61 121.20 118.67 1joe s ILE 73 Ca 0.00 -1.53 0.03 0.00 0.00 0.00 0.00 60.65 59.15 1joe s ILE 73 Cb 0.00 -1.89 0.00 0.00 0.01 0.00 0.00 42.46 40.58 1joe s ILE 73 CO 0.00 0.26 -0.11 -0.70 0.00 0.00 0.00 174.94 174.40 1joe s GLU 74 N -1.55 1.16 -0.21 2.79 2.12 0.49 -3.75 118.70 119.75 1joe s GLU 74 Ca 0.13 -0.36 -0.14 0.00 0.36 0.00 0.00 54.97 54.95 1joe s GLU 74 Cb -0.10 -1.05 -0.04 0.00 0.26 0.00 0.00 34.13 33.19 1joe s GLU 74 CO 0.04 0.13 0.33 0.42 -0.54 0.00 0.00 175.26 175.64 1joe s ILE 75 N 0.22 5.24 -0.01 -3.70 1.01 -1.26 0.19 121.20 122.88 1joe s ILE 75 Ca -0.04 0.57 -0.00 0.00 0.00 0.00 0.00 60.65 61.17 1joe s ILE 75 Cb -0.10 -3.67 -0.00 0.00 0.01 0.00 0.00 42.46 38.70 1joe s ILE 75 CO 0.01 0.28 0.06 0.40 0.00 0.00 0.00 174.94 175.68 1joe h ILE 76 N 5.03 0.00 -2.50 2.92 2.04 -1.83 -3.47 117.51 119.70 1joe h ILE 76 Ca -0.37 -0.15 -0.07 0.00 1.00 0.00 0.00 64.86 65.28 1joe h ILE 76 Cb 1.16 0.00 -0.18 0.00 -0.74 0.00 0.00 36.82 37.07 1joe h ILE 76 CO 0.70 0.00 0.06 -0.62 0.00 0.00 0.00 178.15 178.30 1joe s ASP 77 N -3.34 -0.50 -0.15 1.72 2.15 -1.18 -5.06 116.67 110.31 1joe s ASP 77 Ca -0.00 0.38 0.00 0.00 0.43 0.00 0.00 52.55 53.36 1joe s ASP 77 Cb 0.00 0.49 0.02 0.00 -0.30 0.00 0.00 42.92 43.13 1joe s ASP 77 CO 0.00 -0.65 -0.14 -0.63 -0.17 0.00 0.00 175.17 173.58 1joe s ILE 78 N -1.83 1.57 0.05 4.11 1.01 -1.26 -2.22 121.20 122.63 1joe s ILE 78 Ca -0.09 -0.63 -0.07 0.00 0.00 0.00 0.00 60.65 59.86 1joe s ILE 78 Cb -0.01 -1.48 -0.01 0.00 0.01 0.00 0.00 42.46 40.98 1joe s ILE 78 CO 0.03 0.46 0.13 -0.94 0.00 0.00 0.00 174.94 174.62 1joe s SER 79 N 1.47 0.16 0.62 3.58 1.04 -0.97 -4.85 113.70 114.74 1joe s SER 79 Ca 0.05 -0.56 -0.16 0.00 0.48 0.00 0.00 55.95 55.76 1joe s SER 79 Cb -0.13 0.27 -0.02 0.00 0.10 0.00 0.00 66.02 66.24 1joe s SER 79 CO -0.10 -0.58 1.09 -2.16 0.98 0.00 0.00 173.24 172.46 1joe s PRO 80 N -3.01 3.08 0.47 4.02 0.04 -1.26 -1.13 135.00 137.21 1joe s PRO 80 Ca -0.02 1.33 -0.18 0.00 0.04 0.00 0.00 61.00 62.17 1joe s PRO 80 Cb 0.01 -1.99 -0.09 0.00 0.04 0.00 0.00 34.50 32.47 1joe s PRO 80 CO -0.06 -1.01 0.95 -1.64 0.04 0.00 0.00 177.00 175.27 1joe s MET 81 N -4.01 4.05 0.29 4.56 -1.94 -0.08 -4.72 119.30 117.45 1joe s MET 81 Ca 0.66 0.98 -0.03 0.00 -1.71 0.00 0.00 55.69 55.59 1joe s MET 81 Cb -0.19 -2.18 0.40 0.00 2.01 0.00 0.00 34.83 34.87 1joe s MET 81 CO 0.38 -0.14 1.93 0.78 -0.01 0.00 0.00 175.02 177.96 1joe h GLY 82 N 1.39 1.15 1.25 -0.03 0.00 -1.95 -0.60 103.07 104.28 1joe h GLY 82 Ca -0.48 -0.47 0.00 0.00 0.00 0.00 0.00 47.33 46.38 1joe h GLY 82 CO 0.62 0.46 0.00 0.00 0.00 0.00 0.00 176.54 177.62 1joe n ARG 84 N -1.12 -2.11 -0.73 0.00 1.74 -0.23 -4.75 116.66 109.45 1joe n ARG 84 Ca 0.12 0.26 0.01 0.00 -0.77 0.00 0.00 57.85 57.47 1joe n ARG 84 Cb 0.10 -4.56 0.20 0.00 -1.02 0.00 0.00 32.46 27.18 1joe n ARG 84 CO 0.00 0.00 0.00 0.25 -1.52 0.00 0.00 177.63 176.36 1joe n THR 85 N -4.35 2.37 0.00 0.55 -2.24 -1.26 0.03 114.28 109.38 1joe n THR 85 Ca -0.08 -3.08 0.00 0.00 -2.27 0.00 0.00 64.05 58.62 1joe n THR 85 Cb 0.57 -0.30 0.00 0.00 -2.10 0.00 0.00 70.33 68.49 1joe n THR 85 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1joe n GLY 86 N -1.11 2.17 3.77 3.38 0.00 -1.26 -2.88 105.19 109.26 1joe n GLY 86 Ca 0.26 -2.05 -0.25 0.00 0.00 0.00 0.00 46.02 43.97 1joe n GLY 86 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1joe s PHE 87 N -1.66 3.06 -0.03 1.61 0.40 -0.95 -0.90 117.98 119.51 1joe s PHE 87 Ca 0.00 -0.07 -0.11 0.00 -0.60 0.00 0.00 56.93 56.16 1joe s PHE 87 Cb 0.00 -1.45 -0.05 0.00 0.51 0.00 0.00 43.02 42.03 1joe s PHE 87 CO 0.00 0.52 0.30 0.71 0.70 0.00 0.00 175.22 177.45 1joe s TYR 88 N -1.85 3.65 -0.31 0.36 4.12 -0.28 -1.13 117.35 121.92 1joe s TYR 88 Ca 0.31 0.76 -0.02 0.00 0.02 0.00 0.00 57.07 58.14 1joe s TYR 88 Cb -0.09 -2.12 0.10 0.00 -1.52 0.00 0.00 41.96 38.33 1joe s TYR 88 CO 0.22 0.66 0.11 1.41 0.02 0.00 0.00 175.55 177.98 1joe s MET 89 N -1.22 0.58 0.20 -0.62 1.75 0.31 -2.30 119.30 118.00 1joe s MET 89 Ca 0.22 -0.95 -0.28 0.00 -1.25 0.00 0.00 55.69 53.43 1joe s MET 89 Cb -0.14 -1.76 -0.09 0.00 2.84 0.00 0.00 34.83 35.68 1joe s MET 89 CO 0.11 -1.00 0.86 -1.54 -0.65 0.00 0.00 175.02 172.80 1joe s SER 90 N 1.71 7.53 0.09 1.11 1.04 -0.94 -0.74 113.70 123.49 1joe s SER 90 Ca 0.10 1.80 -0.11 0.00 0.48 0.00 0.00 55.95 58.23 1joe s SER 90 Cb -0.17 -2.56 0.01 0.00 0.10 0.00 0.00 66.02 63.40 1joe s SER 90 CO -0.27 0.18 0.25 -1.48 0.98 0.00 0.00 173.24 172.90 1joe s LEU 91 N -1.17 1.14 -0.56 2.42 0.05 0.11 -2.54 118.68 118.14 1joe s LEU 91 Ca 0.38 -0.51 -0.22 0.00 0.05 0.00 0.00 54.13 53.83 1joe s LEU 91 Cb -0.25 1.24 0.05 0.00 -2.05 0.00 0.00 46.19 45.18 1joe s LEU 91 CO 0.29 -0.73 0.85 -0.63 -0.55 0.00 0.00 176.35 175.58 1joe s ILE 92 N -3.63 4.52 -3.24 1.48 1.01 0.50 -0.85 121.20 120.99 1joe s ILE 92 Ca 0.03 -0.05 0.00 0.00 0.00 0.00 0.00 60.65 60.62 1joe s ILE 92 Cb 0.03 -4.50 0.00 0.00 0.01 0.00 0.00 42.46 38.01 1joe s ILE 92 CO -0.10 -1.08 0.00 0.61 0.00 0.00 0.00 174.94 174.37 1joe n GLY 93 N 5.17 0.48 2.69 6.18 0.00 0.16 0.19 105.19 120.05 1joe n GLY 93 Ca -0.02 -1.37 -0.06 0.00 0.00 0.00 0.00 46.02 44.58 1joe n GLY 93 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 1joe n THR 94 N 5.83 0.00 -0.39 2.61 5.66 -1.26 -3.15 114.28 123.58 1joe n THR 94 Ca 0.00 -1.13 -0.29 0.00 -3.05 0.00 0.00 64.05 59.58 1joe n THR 94 Cb 0.00 0.94 0.27 0.00 -1.55 0.00 0.00 70.33 69.99 1joe n THR 94 CO 0.00 0.00 0.00 -0.81 -3.05 0.00 0.00 175.07 171.21 1joe n PRO 95 N -0.32 -3.32 -3.68 1.09 -0.04 -1.26 -5.04 135.00 122.42 1joe n PRO 95 Ca -0.10 -0.96 -0.23 0.00 -0.04 0.00 0.00 63.50 62.17 1joe n PRO 95 Cb 0.75 -2.07 -0.02 0.00 -0.04 0.00 0.00 33.50 32.12 1joe n PRO 95 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 1joe s ASN 96 N -2.56 4.85 0.43 3.54 2.20 -1.26 -4.98 114.94 117.16 1joe s ASN 96 Ca 0.68 -0.95 0.16 0.00 -0.94 0.00 0.00 52.86 51.81 1joe s ASN 96 Cb -0.22 -0.17 1.07 0.00 -2.00 0.00 0.00 41.25 39.93 1joe s ASN 96 CO 0.63 -0.84 1.93 -0.33 -2.94 0.00 0.00 177.10 175.55 1joe h GLU 97 N 0.91 0.38 -0.06 3.55 3.07 -1.96 -2.25 114.58 118.22 1joe h GLU 97 Ca -0.39 -0.02 -0.01 0.00 -0.50 0.00 0.00 59.36 58.43 1joe h GLU 97 Cb 1.28 -0.09 -0.00 0.00 -0.84 0.00 0.00 28.75 29.10 1joe h GLU 97 CO 0.57 0.25 -0.01 0.37 -1.40 0.00 0.00 179.01 178.80 1joe h GLN 98 N 0.39 0.10 -0.67 2.33 4.15 -1.95 -2.75 115.11 116.71 1joe h GLN 98 Ca 0.35 -0.04 0.02 0.00 0.77 0.00 0.00 58.65 59.75 1joe h GLN 98 Cb 0.82 -0.01 -0.04 0.00 0.21 0.00 0.00 27.48 28.46 1joe h GLN 98 CO -0.11 0.42 0.44 -0.22 -1.93 0.00 0.00 178.83 177.43 1joe h LYS 99 N -0.22 0.85 0.22 1.69 3.64 -1.82 -1.44 116.57 119.49 1joe h LYS 99 Ca 0.01 -0.05 -0.01 0.00 -1.27 0.00 0.00 60.65 59.33 1joe h LYS 99 Cb 0.38 -0.19 0.00 0.00 -0.41 0.00 0.00 32.23 32.01 1joe h LYS 99 CO 0.00 0.57 -0.10 0.28 -2.27 0.00 0.00 179.45 177.93 1joe h VAL 100 N 0.88 0.84 -0.31 2.00 2.07 -1.48 -2.71 116.25 117.54 1joe h VAL 100 Ca 0.26 -0.78 0.06 0.00 0.82 0.00 0.00 66.70 67.05 1joe h VAL 100 Cb -0.06 1.27 -0.08 0.00 -1.52 0.00 0.00 31.29 30.90 1joe h VAL 100 CO -0.07 0.16 -0.45 -1.28 0.02 0.00 0.00 177.57 175.95 1joe h SER 101 N -0.71 -1.47 -1.04 0.57 0.87 -1.37 0.99 113.55 111.38 1joe h SER 101 Ca -0.03 0.21 0.28 0.00 -1.23 0.00 0.00 61.79 61.02 1joe h SER 101 Cb 0.49 0.62 -0.12 0.00 -0.44 0.00 0.00 62.40 62.96 1joe h SER 101 CO 0.05 -0.40 0.64 -0.33 -0.53 0.00 0.00 176.83 176.26 1joe h GLU 102 N -0.40 0.43 -0.08 2.24 5.08 -1.33 1.77 114.58 122.28 1joe h GLU 102 Ca 0.11 -0.03 -0.18 0.00 -1.00 0.00 0.00 59.36 58.26 1joe h GLU 102 Cb 0.61 -0.10 -0.00 0.00 0.50 0.00 0.00 28.75 29.75 1joe h GLU 102 CO -0.52 0.29 -0.73 0.00 -1.00 0.00 0.00 179.01 177.05 1joe h ALA 103 N 1.69 0.59 -0.00 3.43 0.00 0.03 -2.37 119.26 122.63 1joe h ALA 103 Ca 0.65 -0.60 -0.00 0.00 0.00 0.00 0.00 54.91 54.96 1joe h ALA 103 Cb 1.48 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 19.21 1joe h ALA 103 CO -0.42 0.76 -0.00 2.35 0.00 0.00 0.00 179.25 181.94 1joe h TRP 104 N 0.29 0.00 -0.70 0.00 7.01 0.90 -2.72 115.95 120.73 1joe h TRP 104 Ca -0.03 -0.00 0.09 0.00 2.11 0.00 0.00 58.89 61.06 1joe h TRP 104 Cb 1.30 -0.00 -0.05 0.00 -2.10 0.00 0.00 29.16 28.32 1joe h TRP 104 CO 0.05 0.62 0.46 1.25 -2.79 0.00 0.00 178.44 178.02 1joe h LEU 105 N -0.62 0.53 0.76 0.65 5.85 0.20 -2.47 115.31 120.21 1joe h LEU 105 Ca -0.00 0.01 -0.04 0.00 0.84 0.00 0.00 57.88 58.69 1joe h LEU 105 Cb 0.62 -0.10 0.01 0.00 0.37 0.00 0.00 40.66 41.56 1joe h LEU 105 CO 0.00 0.32 -0.37 0.00 -0.34 0.00 0.00 178.44 178.05 1joe h ALA 106 N 1.64 -1.18 -0.92 1.25 0.00 -1.39 -3.20 119.26 115.46 1joe h ALA 106 Ca 0.32 -0.22 0.21 0.00 0.00 0.00 0.00 54.91 55.22 1joe h ALA 106 Cb 0.47 0.40 -0.17 0.00 0.00 0.00 0.00 17.79 18.48 1joe h ALA 106 CO -0.11 -1.11 -0.12 0.43 0.00 0.00 0.00 179.25 178.34 1joe n SER 107 N -4.97 -0.24 -0.25 0.00 7.64 -0.96 0.12 113.62 114.97 1joe n SER 107 Ca -0.13 1.57 0.06 0.00 1.01 0.00 0.00 58.87 61.39 1joe n SER 107 Cb 0.40 -0.52 0.31 0.00 -1.01 0.00 0.00 64.21 63.39 1joe n SER 107 CO 0.00 0.00 0.00 0.24 -3.01 0.00 0.00 175.04 172.27 1joe h MET 108 N 0.00 0.84 -0.24 1.43 2.07 -1.52 0.96 114.93 118.47 1joe h MET 108 Ca 0.49 -0.05 -0.07 0.00 -2.07 0.00 0.00 59.70 58.00 1joe h MET 108 Cb 0.88 -0.19 -0.01 0.00 -1.87 0.00 0.00 31.60 30.40 1joe h MET 108 CO -0.91 0.55 -0.17 1.96 1.07 0.00 0.00 176.91 179.41 1joe h GLN 109 N 0.86 0.41 -0.27 1.72 1.08 0.89 -2.22 115.11 117.58 1joe h GLN 109 Ca 0.37 -0.12 -0.13 0.00 -1.45 0.00 0.00 58.65 57.32 1joe h GLN 109 Cb 0.32 -0.04 -0.01 0.00 -0.05 0.00 0.00 27.48 27.70 1joe h GLN 109 CO -0.14 0.57 -0.37 -0.44 -0.95 0.00 0.00 178.83 177.50 1joe h ASP 110 N 0.37 0.64 -0.25 1.46 3.45 0.13 -3.22 116.42 119.01 1joe h ASP 110 Ca 0.07 -0.27 -0.05 0.00 0.43 0.00 0.00 57.03 57.21 1joe h ASP 110 Cb 0.52 -0.18 -0.01 0.00 -0.56 0.00 0.00 39.33 39.10 1joe h ASP 110 CO 0.03 0.95 -0.02 0.58 -1.57 0.00 0.00 179.24 179.21 1joe h VAL 111 N 0.51 1.27 -1.11 -1.35 2.07 0.94 -2.74 116.25 115.84 1joe h VAL 111 Ca 0.05 -0.97 0.31 0.00 0.82 0.00 0.00 66.70 66.91 1joe h VAL 111 Cb 0.87 1.40 -0.07 0.00 -1.52 0.00 0.00 31.29 31.97 1joe h VAL 111 CO 0.07 0.30 0.75 -0.07 0.02 0.00 0.00 177.57 178.65 1joe h LEU 112 N 0.22 0.24 -1.20 2.57 4.07 -1.47 -1.19 115.31 118.54 1joe h LEU 112 Ca 0.07 0.05 0.00 0.00 0.08 0.00 0.00 57.88 58.08 1joe h LEU 112 Cb 0.46 0.01 0.00 0.00 1.08 0.00 0.00 40.66 42.21 1joe h LEU 112 CO 0.02 0.03 0.00 0.61 -1.08 0.00 0.00 178.44 178.02 1joe n GLY 113 N -1.60 1.18 2.77 0.83 0.00 -1.03 -4.46 105.19 102.87 1joe n GLY 113 Ca 0.26 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.98 1joe n GLY 113 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1joe s VAL 114 N -0.75 1.61 0.37 1.61 1.01 -0.45 -5.00 120.40 118.80 1joe s VAL 114 Ca 0.00 -2.58 0.12 0.00 0.00 0.00 0.00 61.98 59.52 1joe s VAL 114 Cb 0.00 -2.14 0.11 0.00 0.00 0.00 0.00 36.38 34.35 1joe s VAL 114 CO 0.00 -0.84 1.84 1.56 0.00 0.00 0.00 175.10 177.66 1joe h GLN 115 N 6.86 0.06 -3.73 2.72 7.50 -1.87 -3.46 115.11 123.18 1joe h GLN 115 Ca -0.04 -0.02 -0.08 0.00 0.50 0.00 0.00 58.65 59.02 1joe h GLN 115 Cb 0.93 -0.00 -0.11 0.00 0.05 0.00 0.00 27.48 28.35 1joe h GLN 115 CO 0.52 0.38 -0.21 0.16 -1.50 0.00 0.00 178.83 178.18 1joe s ASP 116 N -6.93 -0.05 0.43 1.46 1.47 -1.26 -5.04 116.67 106.75 1joe s ASP 116 Ca -0.03 -0.81 0.12 0.00 1.18 0.00 0.00 52.55 53.00 1joe s ASP 116 Cb 0.15 0.50 0.98 0.00 -0.34 0.00 0.00 42.92 44.20 1joe s ASP 116 CO 0.73 -0.98 2.01 1.56 0.68 0.00 0.00 175.17 179.17 1joe h GLN 117 N 2.41 0.44 0.00 2.11 7.50 -1.95 -1.72 115.11 123.89 1joe h GLN 117 Ca -0.30 -0.03 0.00 0.00 0.50 0.00 0.00 58.65 58.82 1joe h GLN 117 Cb 1.24 -0.10 0.00 0.00 0.05 0.00 0.00 27.48 28.67 1joe h GLN 117 CO 0.43 0.29 0.00 0.00 -1.50 0.00 0.00 178.83 178.05 1joe n ALA 118 N -2.50 2.34 0.03 3.87 0.00 -1.26 -1.67 120.51 121.31 1joe n ALA 118 Ca 0.07 -0.13 0.05 0.00 0.00 0.00 0.00 53.44 53.43 1joe n ALA 118 Cb 0.26 -1.35 -0.09 0.00 0.00 0.00 0.00 19.45 18.27 1joe n ALA 118 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 1joe n SER 119 N -0.97 0.53 -4.54 0.00 7.64 -0.65 -4.76 113.62 110.86 1joe n SER 119 Ca 0.16 0.22 -0.43 0.00 1.01 0.00 0.00 58.87 59.83 1joe n SER 119 Cb 0.07 0.83 -0.04 0.00 -1.01 0.00 0.00 64.21 64.07 1joe n SER 119 CO 0.00 0.00 0.00 -0.63 -3.01 0.00 0.00 175.04 171.40 1joe s ILE 120 N -3.16 4.23 0.13 0.44 1.01 -0.67 -4.93 121.20 118.25 1joe s ILE 120 Ca -0.04 0.47 -0.22 0.00 0.00 0.00 0.00 60.65 60.85 1joe s ILE 120 Cb 0.10 -4.63 -0.01 0.00 0.01 0.00 0.00 42.46 37.93 1joe s ILE 120 CO 0.83 -1.24 1.66 -0.65 0.00 0.00 0.00 174.94 175.54 1joe h PRO 121 N 9.44 -0.19 0.00 2.79 0.11 -1.86 -3.23 132.00 139.06 1joe h PRO 121 Ca -0.26 0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.86 1joe h PRO 121 Cb 1.07 0.04 0.00 0.00 0.11 0.00 0.00 31.00 32.22 1joe h PRO 121 CO 1.13 -0.13 0.00 -0.85 -0.21 0.00 0.00 178.00 177.95 1joe n GLU 122 N -5.31 0.00 0.00 1.05 0.00 -1.26 -4.77 120.64 110.35 1joe n GLU 122 Ca -0.02 0.49 0.00 0.00 0.00 0.00 0.00 57.16 57.62 1joe n GLU 122 Cb 0.23 -1.40 0.00 0.00 0.00 0.00 0.00 31.44 30.27 1joe n GLU 122 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.13 178.41 1joe n LEU 123 N -1.85 0.00 -3.46 -1.84 4.77 -1.22 -4.35 117.00 109.05 1joe n LEU 123 Ca 0.00 0.00 -0.11 0.00 -0.03 0.00 0.00 56.01 55.87 1joe n LEU 123 Cb 0.00 0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 41.07 1joe n LEU 123 CO 0.00 0.00 0.52 0.54 -1.33 0.00 0.00 177.39 177.12 1joe s ASN 124 N 0.00 -0.49 0.29 -1.43 4.22 -1.26 -4.93 114.94 111.34 1joe s ASN 124 Ca 0.00 0.05 0.02 0.00 -2.14 0.00 0.00 52.86 50.79 1joe s ASN 124 Cb 0.00 0.51 0.58 0.00 1.28 0.00 0.00 41.25 43.61 1joe s ASN 124 CO 0.00 -0.80 1.85 0.16 -2.04 0.00 0.00 177.10 176.27 1joe h ILE 125 N 2.06 0.93 0.00 0.54 -2.65 -1.88 0.68 117.51 117.19 1joe h ILE 125 Ca -0.29 -0.33 -0.06 0.00 1.03 0.00 0.00 64.86 65.21 1joe h ILE 125 Cb 1.27 -0.13 -0.01 0.00 -2.05 0.00 0.00 36.82 35.91 1joe h ILE 125 CO 0.35 0.18 -0.30 1.88 0.03 0.00 0.00 178.15 180.29 1joe h TYR 126 N 0.97 0.00 0.00 0.16 0.05 -1.95 -3.38 116.97 112.82 1joe h TYR 126 Ca 0.48 0.00 0.00 0.00 0.05 0.00 0.00 58.73 59.26 1joe h TYR 126 Cb 0.47 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.21 1joe h TYR 126 CO -0.00 0.30 -0.68 1.04 -1.05 0.00 0.00 178.16 177.76 1joe n GLN 127 N -3.33 1.99 -4.17 4.88 6.02 -0.82 -5.01 117.38 116.94 1joe n GLN 127 Ca 0.01 0.00 -0.34 0.00 -0.01 0.00 0.00 57.00 56.66 1joe n GLN 127 Cb 0.53 -0.84 -0.12 0.00 1.02 0.00 0.00 30.24 30.84 1joe n GLN 127 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1joe n GLY 129 N 3.82 -1.39 2.58 0.00 0.00 -1.26 -3.35 105.19 105.59 1joe n GLY 129 Ca -0.17 0.76 -0.28 0.00 0.00 0.00 0.00 46.02 46.34 1joe n GLY 129 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1joe s SER 130 N -5.24 2.70 0.48 1.61 0.01 -1.26 -5.03 113.70 106.96 1joe s SER 130 Ca -0.09 -3.26 0.37 0.00 1.31 0.00 0.00 55.95 54.28 1joe s SER 130 Cb 0.14 -0.85 1.55 0.00 0.21 0.00 0.00 66.02 67.07 1joe s SER 130 CO 0.49 -0.15 1.60 0.22 0.41 0.00 0.00 173.24 175.80 1joe h TYR 131 N 5.68 0.35 -0.61 2.43 -0.00 -1.81 -1.18 116.97 121.84 1joe h TYR 131 Ca 0.20 0.02 0.00 0.00 -0.00 0.00 0.00 58.73 58.95 1joe h TYR 131 Cb 0.86 -0.08 0.00 0.00 -0.00 0.00 0.00 36.73 37.51 1joe h TYR 131 CO 0.42 -0.17 0.00 0.25 -0.00 0.00 0.00 178.16 178.65 1joe n THR 132 N -4.48 1.20 -2.56 1.81 -2.24 -1.26 -4.44 114.28 102.31 1joe n THR 132 Ca 0.40 -1.07 -0.35 0.00 -2.27 0.00 0.00 64.05 60.76 1joe n THR 132 Cb 1.65 0.41 0.01 0.00 -2.10 0.00 0.00 70.33 70.29 1joe n THR 132 CO 0.00 0.00 0.00 1.21 -0.57 0.00 0.00 175.07 175.71 1joe n GLU 133 N 1.21 4.10 -4.55 -0.78 4.07 -0.45 -4.97 120.64 119.27 1joe n GLU 133 Ca 0.22 -4.47 -0.23 0.00 -0.06 0.00 0.00 57.16 52.61 1joe n GLU 133 Cb 0.63 -2.34 -0.16 0.00 -0.06 0.00 0.00 31.44 29.51 1joe n GLU 133 CO 0.00 0.00 0.00 -1.01 -0.06 0.00 0.00 177.13 176.06 1joe s HIS 134 N -3.97 1.32 -0.36 4.31 3.76 -1.26 -4.51 115.29 114.58 1joe s HIS 134 Ca 0.45 -0.42 0.00 0.00 -0.15 0.00 0.00 55.06 54.94 1joe s HIS 134 Cb 0.29 -0.95 0.14 0.00 1.11 0.00 0.00 32.58 33.16 1joe s HIS 134 CO -0.20 -0.21 0.21 0.45 -0.85 0.00 0.00 174.74 174.15 1joe s SER 135 N 0.46 3.09 0.50 1.40 0.15 -1.25 -4.96 113.70 113.09 1joe s SER 135 Ca -0.10 -2.25 0.23 0.00 0.70 0.00 0.00 55.95 54.54 1joe s SER 135 Cb -0.13 -0.50 1.30 0.00 -1.71 0.00 0.00 66.02 64.98 1joe s SER 135 CO 0.02 -0.30 1.96 0.25 1.20 0.00 0.00 173.24 176.37 1joe h LEU 136 N 6.99 0.11 -0.15 3.45 6.46 -1.94 -1.21 115.31 129.02 1joe h LEU 136 Ca 0.04 0.01 -0.02 0.00 -0.12 0.00 0.00 57.88 57.79 1joe h LEU 136 Cb 0.96 -0.02 -0.01 0.00 -0.73 0.00 0.00 40.66 40.87 1joe h LEU 136 CO 0.30 0.06 0.00 -0.33 -0.62 0.00 0.00 178.44 177.85 1joe h GLU 137 N 0.12 0.25 -0.21 1.25 3.07 -1.96 -1.28 114.58 115.83 1joe h GLU 137 Ca 0.30 -0.08 -0.13 0.00 -0.50 0.00 0.00 59.36 58.96 1joe h GLU 137 Cb 1.04 -0.02 -0.01 0.00 -0.84 0.00 0.00 28.75 28.91 1joe h GLU 137 CO -0.04 0.48 -0.41 -0.44 -1.40 0.00 0.00 179.01 177.20 1joe h ASP 138 N 0.00 0.52 1.07 1.42 5.19 -1.65 -2.47 116.42 120.51 1joe h ASP 138 Ca 0.04 -0.23 0.00 0.00 -0.62 0.00 0.00 57.03 56.22 1joe h ASP 138 Cb 0.36 -0.15 0.00 0.00 0.18 0.00 0.00 39.33 39.72 1joe h ASP 138 CO 0.01 0.87 0.00 0.00 -3.12 0.00 0.00 179.24 177.00 1joe h ALA 139 N 1.16 1.00 0.13 3.45 0.00 -1.27 -2.67 119.26 121.06 1joe h ALA 139 Ca 0.04 0.00 -0.35 0.00 0.00 0.00 0.00 54.91 54.59 1joe h ALA 139 Cb 0.89 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.67 1joe h ALA 139 CO 0.08 0.00 -1.89 0.45 0.00 0.00 0.00 179.25 177.89 1joe h HIS 140 N 0.00 0.49 -0.57 0.00 3.86 -0.91 -3.27 115.15 114.75 1joe h HIS 140 Ca 0.00 -0.36 0.10 0.00 -1.16 0.00 0.00 60.37 58.95 1joe h HIS 140 Cb 0.54 -0.02 -0.08 0.00 1.06 0.00 0.00 27.41 28.91 1joe h HIS 140 CO 0.00 1.74 0.15 1.49 0.86 0.00 0.00 177.93 182.17 1joe h GLU 141 N -0.01 0.28 0.20 2.45 4.81 -1.32 -0.16 114.58 120.83 1joe h GLU 141 Ca -0.40 -0.02 0.01 0.00 -0.13 0.00 0.00 59.36 58.82 1joe h GLU 141 Cb 1.99 -0.06 -0.03 0.00 0.63 0.00 0.00 28.75 31.27 1joe h GLU 141 CO 0.08 0.19 -0.34 0.82 -0.73 0.00 0.00 179.01 179.03 1joe h ILE 142 N 0.29 0.29 -0.71 2.32 2.04 -1.62 0.54 117.51 120.66 1joe h ILE 142 Ca 0.29 0.00 0.11 0.00 1.00 0.00 0.00 64.86 66.27 1joe h ILE 142 Cb 0.41 0.29 -0.13 0.00 -0.74 0.00 0.00 36.82 36.65 1joe h ILE 142 CO -0.35 0.00 -0.38 0.00 0.00 0.00 0.00 178.15 177.42 1joe h ALA 143 N -0.05 -0.05 -0.52 1.87 0.00 -1.51 0.16 119.26 119.15 1joe h ALA 143 Ca 0.01 0.18 0.08 0.00 0.00 0.00 0.00 54.91 55.19 1joe h ALA 143 Cb 0.61 0.90 -0.07 0.00 0.00 0.00 0.00 17.79 19.23 1joe h ALA 143 CO -0.15 -0.70 0.15 0.87 0.00 0.00 0.00 179.25 179.42 1joe h LYS 144 N -0.13 0.30 0.63 0.00 1.57 0.21 0.66 116.57 119.80 1joe h LYS 144 Ca 0.25 -0.02 -0.03 0.00 -1.87 0.00 0.00 60.65 58.99 1joe h LYS 144 Cb 0.56 -0.07 -0.00 0.00 0.08 0.00 0.00 32.23 32.81 1joe h LYS 144 CO -0.77 0.20 -0.37 -0.97 -0.57 0.00 0.00 179.45 176.97 1joe h ASN 145 N 0.30 -0.91 0.03 0.86 -0.00 0.17 0.57 115.58 116.60 1joe h ASN 145 Ca 0.26 0.05 0.03 0.00 -0.00 0.00 0.00 56.30 56.64 1joe h ASN 145 Cb 0.32 0.26 -0.05 0.00 -0.00 0.00 0.00 38.32 38.85 1joe h ASN 145 CO -0.30 -0.57 -0.38 0.58 -0.00 0.00 0.00 177.43 176.76 1joe h VAL 146 N -0.92 0.21 -0.86 2.57 2.07 -0.48 1.16 116.25 120.00 1joe h VAL 146 Ca -0.08 0.00 0.12 0.00 0.82 0.00 0.00 66.70 67.55 1joe h VAL 146 Cb 0.73 0.21 -0.08 0.00 -1.52 0.00 0.00 31.29 30.63 1joe h VAL 146 CO 0.10 0.00 0.49 0.40 0.02 0.00 0.00 177.57 178.58 1joe h ILE 147 N -0.55 0.85 -0.07 4.57 2.04 0.29 0.07 117.51 124.70 1joe h ILE 147 Ca 0.05 -0.26 -0.02 0.00 1.00 0.00 0.00 64.86 65.62 1joe h ILE 147 Cb 0.62 0.01 -0.00 0.00 -0.74 0.00 0.00 36.82 36.72 1joe h ILE 147 CO -0.28 0.14 -0.05 0.00 0.00 0.00 0.00 178.15 177.96 1joe h ALA 148 N 1.51 0.10 0.00 1.87 0.00 0.33 -3.31 119.26 119.76 1joe h ALA 148 Ca 0.44 -0.26 -0.09 0.00 0.00 0.00 0.00 54.91 55.00 1joe h ALA 148 Cb 0.49 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.24 1joe h ALA 148 CO -0.29 -0.12 -0.44 0.00 0.00 0.00 0.00 179.25 178.41 1joe h ARG 149 N -0.24 0.00 0.00 0.00 3.08 0.19 -3.50 114.38 113.91 1joe h ARG 149 Ca 0.01 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.06 1joe h ARG 149 Cb 0.53 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.58 1joe h ARG 149 CO 0.01 0.44 0.00 0.41 -1.07 0.00 0.00 179.97 179.76 1joe n GLY 150 N 0.61 -1.11 3.28 0.04 0.00 -0.04 -4.92 105.19 103.05 1joe n GLY 150 Ca 0.01 -1.35 -0.44 0.00 0.00 0.00 0.00 46.02 44.23 1joe n GLY 150 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1joe s ILE 151 N -2.10 5.04 0.00 -0.61 1.01 -1.26 -4.25 121.20 119.03 1joe s ILE 151 Ca 0.00 -2.09 0.00 0.00 0.00 0.00 0.00 60.65 58.56 1joe s ILE 151 Cb 0.00 -4.20 0.00 0.00 0.01 0.00 0.00 42.46 38.27 1joe s ILE 151 CO 0.00 -0.92 0.00 0.61 0.00 0.00 0.00 174.94 174.63 1joe n GLY 152 N 4.49 0.20 3.09 6.18 0.00 -0.33 -4.81 105.19 114.01 1joe n GLY 152 Ca 0.00 -1.33 -0.11 0.00 0.00 0.00 0.00 46.02 44.58 1joe n GLY 152 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1joe s VAL 153 N 0.00 0.50 -0.19 1.61 1.01 -1.26 -2.98 120.40 119.09 1joe s VAL 153 Ca 0.00 -1.45 -0.03 0.00 0.00 0.00 0.00 61.98 60.51 1joe s VAL 153 Cb 0.00 -1.05 0.06 0.00 0.00 0.00 0.00 36.38 35.39 1joe s VAL 153 CO 0.00 -0.64 0.03 0.20 0.00 0.00 0.00 175.10 174.69 1joe s ASN 154 N -2.24 2.89 0.14 3.32 0.01 0.15 -4.85 114.94 114.37 1joe s ASN 154 Ca -0.01 -0.81 -0.03 0.00 -0.71 0.00 0.00 52.86 51.30 1joe s ASN 154 Cb -0.03 -0.61 -0.05 0.00 0.41 0.00 0.00 41.25 40.98 1joe s ASN 154 CO -0.03 -0.30 0.36 -0.54 -1.51 0.00 0.00 177.10 175.08 1joe s LYS 155 N 1.85 3.57 0.00 -0.60 1.02 -1.26 -4.23 119.74 120.09 1joe s LYS 155 Ca -0.01 -0.18 0.01 0.00 0.02 0.00 0.00 55.97 55.81 1joe s LYS 155 Cb -0.17 -2.87 0.05 0.00 -0.52 0.00 0.00 37.83 34.32 1joe s LYS 155 CO -0.08 0.47 0.54 0.09 -0.92 0.00 0.00 175.35 175.46