#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3dll s ILE 2 N 0.00 3.36 0.25 3.17 -1.09 -0.33 -4.80 121.20 121.75 3dll s ILE 2 Ca 0.00 -1.04 -0.12 0.00 -2.23 0.00 0.00 60.65 57.26 3dll s ILE 2 Cb 0.00 -2.49 -0.01 0.00 -1.58 0.00 0.00 42.46 38.38 3dll s ILE 2 CO 0.00 0.28 0.46 0.00 -1.23 0.00 0.00 174.94 174.45 3dll s MET 3 N -1.70 1.54 -0.47 2.79 0.23 -1.26 0.44 119.30 120.87 3dll s MET 3 Ca 0.18 -1.30 -0.43 0.00 -1.03 0.00 0.00 55.69 53.11 3dll s MET 3 Cb -0.11 0.46 -0.18 0.00 -1.53 0.00 0.00 34.83 33.47 3dll s MET 3 CO 0.09 -0.63 2.03 -2.30 -2.03 0.00 0.00 175.02 172.17 3dll n PRO 4 N -0.38 0.21 -0.02 3.16 -0.02 -1.26 0.11 135.00 136.80 3dll n PRO 4 Ca -0.01 0.06 0.00 0.00 -2.02 0.00 0.00 63.50 61.53 3dll n PRO 4 Cb 0.62 -1.67 0.00 0.00 -0.02 0.00 0.00 33.50 32.44 3dll n PRO 4 CO 0.00 0.00 0.00 0.94 1.98 0.00 0.00 175.50 178.42 3dll n GLN 5 N 6.83 0.00 -2.21 -0.52 -0.06 -1.11 -4.98 117.38 115.33 3dll n GLN 5 Ca 0.47 0.00 -0.41 0.00 -2.00 0.00 0.00 57.00 55.06 3dll n GLN 5 Cb 0.00 -0.08 -0.03 0.00 -4.06 0.00 0.00 30.24 26.08 3dll n GLN 5 CO 0.00 0.00 0.00 0.45 -0.20 0.00 0.00 177.06 177.31 3dll s SER 6 N -2.59 5.86 -0.34 1.69 0.15 0.30 -4.67 113.70 114.11 3dll s SER 6 Ca 0.00 0.54 -0.29 0.00 0.70 0.00 0.00 55.95 56.90 3dll s SER 6 Cb 0.00 -2.54 0.01 0.00 -1.71 0.00 0.00 66.02 61.78 3dll s SER 6 CO 0.00 -1.87 1.23 -0.13 1.20 0.00 0.00 173.24 173.67 3dll s ARG 7 N 5.91 3.91 0.24 5.44 0.52 -1.26 -1.87 118.95 131.83 3dll s ARG 7 Ca 0.62 1.09 0.02 0.00 -0.52 0.00 0.00 55.73 56.95 3dll s ARG 7 Cb -0.14 -3.86 0.04 0.00 0.52 0.00 0.00 34.95 31.52 3dll s ARG 7 CO 0.26 -1.13 0.32 1.28 0.02 0.00 0.00 175.30 176.06 3dll n LEU 8 N 7.54 0.00 -4.39 2.53 4.32 0.26 -4.95 117.00 122.31 3dll n LEU 8 Ca 0.14 -0.86 -0.30 0.00 -0.02 0.00 0.00 56.01 54.98 3dll n LEU 8 Cb 0.47 -0.19 -0.13 0.00 -1.62 0.00 0.00 43.42 41.95 3dll n LEU 8 CO 0.64 -0.62 -0.56 -1.81 -1.22 0.00 0.00 177.39 173.82 3dll s ASP 9 N -2.39 3.37 -0.21 -1.43 1.01 -1.23 -3.01 116.67 112.77 3dll s ASP 9 Ca 0.23 -0.65 -0.09 0.00 0.71 0.00 0.00 52.55 52.76 3dll s ASP 9 Cb -0.02 -0.31 -0.04 0.00 1.01 0.00 0.00 42.92 43.56 3dll s ASP 9 CO 0.15 0.21 0.11 -0.69 0.21 0.00 0.00 175.17 175.16 3dll s VAL 10 N -0.97 5.03 0.01 -1.27 1.01 -1.25 0.44 120.40 123.40 3dll s VAL 10 Ca 0.14 0.06 0.03 0.00 0.00 0.00 0.00 61.98 62.20 3dll s VAL 10 Cb -0.10 -3.31 -0.25 0.00 0.00 0.00 0.00 36.38 32.72 3dll s VAL 10 CO 0.05 0.40 0.88 0.00 0.00 0.00 0.00 175.10 176.43 3dll h ALA 11 N 7.17 0.42 -2.36 5.51 0.00 -0.52 -3.47 119.26 126.02 3dll h ALA 11 Ca -0.38 -1.17 -0.51 0.00 0.00 0.00 0.00 54.91 52.85 3dll h ALA 11 Cb 1.17 0.26 0.10 0.00 0.00 0.00 0.00 17.79 19.31 3dll h ALA 11 CO 0.68 1.29 0.36 0.16 0.00 0.00 0.00 179.25 181.73 3dll s ASP 12 N -6.70 5.21 -0.02 0.00 1.47 -1.26 -0.75 116.67 114.63 3dll s ASP 12 Ca -0.06 1.80 0.01 0.00 1.18 0.00 0.00 52.55 55.48 3dll s ASP 12 Cb 0.08 -2.52 0.07 0.00 -0.34 0.00 0.00 42.92 40.20 3dll s ASP 12 CO 0.83 -1.56 0.73 -0.46 0.68 0.00 0.00 175.17 175.39 3dll n ASN 13 N -2.80 1.14 0.00 2.11 0.23 -0.87 -4.52 115.26 110.54 3dll n ASN 13 Ca 0.09 -2.06 0.00 0.00 -0.53 0.00 0.00 54.58 52.08 3dll n ASN 13 Cb 0.53 -0.39 0.00 0.00 -2.08 0.00 0.00 39.78 37.84 3dll n ASN 13 CO 0.00 0.00 0.00 -1.54 -0.93 0.00 0.00 177.26 174.79 3dll n SER 14 N -0.04 0.00 0.00 0.53 3.41 -1.26 -4.72 113.62 111.54 3dll n SER 14 Ca 0.02 0.04 0.00 0.00 -0.26 0.00 0.00 58.87 58.67 3dll n SER 14 Cb 0.26 -0.04 0.00 0.00 -0.26 0.00 0.00 64.21 64.17 3dll n SER 14 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3dll n GLY 15 N -0.84 3.18 3.62 5.00 0.00 -1.26 -2.90 105.19 111.99 3dll n GLY 15 Ca 0.00 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.64 3dll n GLY 15 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3dll s ALA 16 N -2.87 3.56 0.05 4.61 0.00 -1.26 -2.70 121.76 123.16 3dll s ALA 16 Ca 0.00 -0.81 -0.15 0.00 0.00 0.00 0.00 51.96 51.00 3dll s ALA 16 Cb 0.00 -2.61 -0.29 0.00 0.00 0.00 0.00 23.12 20.22 3dll s ALA 16 CO 0.00 -0.51 1.10 0.00 0.00 0.00 0.00 175.76 176.35 3dll h ARG 17 N 7.96 0.63 -3.22 0.00 3.08 -1.87 -3.42 114.38 117.55 3dll h ARG 17 Ca -0.34 -0.84 -0.16 0.00 0.07 0.00 0.00 59.98 58.71 3dll h ARG 17 Cb 1.17 0.27 -0.24 0.00 0.08 0.00 0.00 29.97 31.25 3dll h ARG 17 CO 0.65 1.38 -0.44 -2.00 -1.07 0.00 0.00 179.97 178.49 3dll s GLU 18 N -3.00 0.34 0.04 0.04 2.12 -1.03 -3.97 118.70 113.24 3dll s GLU 18 Ca -0.10 0.17 0.05 0.00 0.36 0.00 0.00 54.97 55.45 3dll s GLU 18 Cb 0.06 0.16 -0.02 0.00 0.26 0.00 0.00 34.13 34.58 3dll s GLU 18 CO 0.93 -0.06 -0.14 0.96 -0.54 0.00 0.00 175.26 176.42 3dll s ILE 19 N -0.23 1.11 -0.15 -3.70 -0.00 -1.16 -2.97 121.20 114.10 3dll s ILE 19 Ca -0.03 -1.04 -0.12 0.00 -0.00 0.00 0.00 60.65 59.46 3dll s ILE 19 Cb -0.03 -1.02 -0.05 0.00 -0.00 0.00 0.00 42.46 41.37 3dll s ILE 19 CO 0.01 -0.03 0.23 -0.32 -0.00 0.00 0.00 174.94 174.83 3dll s MET 20 N -1.23 4.06 0.75 0.37 -2.45 -0.51 0.89 119.30 121.18 3dll s MET 20 Ca 0.01 -0.01 -0.14 0.00 -1.25 0.00 0.00 55.69 54.30 3dll s MET 20 Cb -0.08 -3.36 0.05 0.00 1.25 0.00 0.00 34.83 32.69 3dll s MET 20 CO 0.01 0.40 1.19 0.00 1.05 0.00 0.00 175.02 177.67 3dll n ILE 22 N -2.91 0.00 -3.65 0.00 3.06 -0.94 -2.76 119.36 112.17 3dll n ILE 22 Ca 0.13 0.00 -0.02 0.00 -2.50 0.00 0.00 62.75 60.36 3dll n ILE 22 Cb 0.51 -0.23 -0.07 0.00 0.54 0.00 0.00 39.64 40.39 3dll n ILE 22 CO 0.00 0.00 0.00 -0.60 -2.50 0.00 0.00 176.55 173.45 3dll s ARG 23 N -1.19 0.15 -0.73 9.51 3.52 -1.03 -4.81 118.95 124.37 3dll s ARG 23 Ca 0.00 0.22 -0.23 0.00 -0.13 0.00 0.00 55.73 55.59 3dll s ARG 23 Cb 0.00 0.05 0.07 0.00 -1.56 0.00 0.00 34.95 33.51 3dll s ARG 23 CO 0.00 -0.02 1.07 0.08 -0.81 0.00 0.00 175.30 175.61 3dll s VAL 24 N 0.57 4.24 0.79 7.11 1.01 -1.26 0.13 120.40 132.99 3dll s VAL 24 Ca -0.01 -0.39 -0.04 0.00 0.00 0.00 0.00 61.98 61.54 3dll s VAL 24 Cb -0.04 -4.76 0.15 0.00 0.00 0.00 0.00 36.38 31.73 3dll s VAL 24 CO -0.12 -1.56 1.09 -0.76 0.00 0.00 0.00 175.10 173.74 3dll s LEU 25 N 4.25 2.90 -1.11 3.92 1.02 -0.94 -4.86 118.68 123.87 3dll s LEU 25 Ca 0.27 -0.26 -0.06 0.00 0.02 0.00 0.00 54.13 54.10 3dll s LEU 25 Cb -0.13 -1.97 0.29 0.00 0.02 0.00 0.00 46.19 44.40 3dll s LEU 25 CO 0.08 -2.13 1.41 -3.20 0.02 0.00 0.00 176.35 172.53 3dll n ASN 26 N -3.09 6.05 0.00 2.29 4.05 -1.26 -4.46 115.26 118.84 3dll n ASN 26 Ca 0.16 -3.27 0.00 0.00 0.45 0.00 0.00 54.58 51.91 3dll n ASN 26 Cb 0.60 -1.33 0.00 0.00 1.23 0.00 0.00 39.78 40.29 3dll n ASN 26 CO 0.00 0.00 0.00 -1.54 -3.05 0.00 0.00 177.26 172.67 3dll n SER 27 N 2.01 0.00 0.00 1.20 3.41 -1.26 -4.15 113.62 114.82 3dll n SER 27 Ca 0.27 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.88 3dll n SER 27 Cb 0.35 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.30 3dll n SER 27 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3dll n GLY 28 N 0.00 0.00 3.28 5.00 0.00 -1.26 -4.81 105.19 107.40 3dll n GLY 28 Ca 0.00 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.68 3dll n GLY 28 CO 0.00 0.00 0.00 4.51 0.00 0.00 0.00 173.32 177.83 3dll n ILE 29 N -0.62 0.00 -1.01 -0.61 0.13 -1.26 0.22 119.36 116.21 3dll n ILE 29 Ca 0.00 -0.25 0.00 0.00 -1.10 0.00 0.00 62.75 61.40 3dll n ILE 29 Cb 0.00 -0.48 0.00 0.00 -0.84 0.00 0.00 39.64 38.32 3dll n ILE 29 CO 0.00 0.00 0.00 0.61 2.80 0.00 0.00 176.55 179.96 3dll n GLY 30 N 2.12 0.10 0.00 4.50 0.00 -1.26 -4.61 105.19 106.04 3dll n GLY 30 Ca 0.03 -0.38 0.00 0.00 0.00 0.00 0.00 46.02 45.67 3dll n GLY 30 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3dll n GLY 31 N -0.69 -0.75 2.34 -0.02 0.00 -1.26 -4.86 105.19 99.95 3dll n GLY 31 Ca 0.00 -0.36 -0.36 0.00 0.00 0.00 0.00 46.02 45.30 3dll n GLY 31 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3dll n LYS 32 N 0.00 3.76 0.00 1.61 5.02 -1.26 -4.81 118.16 122.48 3dll n LYS 32 Ca 0.00 -2.44 0.00 0.00 -2.02 0.00 0.00 58.31 53.85 3dll n LYS 32 Cb 0.00 -2.66 0.00 0.00 -0.02 0.00 0.00 35.03 32.35 3dll n LYS 32 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3dll n GLY 33 N 2.88 -1.61 3.76 0.72 0.00 -1.26 -4.93 105.19 104.76 3dll n GLY 33 Ca 0.70 -2.09 -0.41 0.00 0.00 0.00 0.00 46.02 44.22 3dll n GLY 33 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3dll n LEU 34 N 0.00 4.60 0.00 0.99 4.77 -1.26 -4.01 117.00 122.10 3dll n LEU 34 Ca 0.00 1.21 0.00 0.00 -0.03 0.00 0.00 56.01 57.19 3dll n LEU 34 Cb 0.00 -1.61 0.00 0.00 -2.33 0.00 0.00 43.42 39.48 3dll n LEU 34 CO 0.00 0.12 0.00 0.35 -1.33 0.00 0.00 177.39 176.53 3dll n THR 35 N 0.85 0.00 -4.63 -5.08 -2.24 0.59 -4.84 114.28 98.93 3dll n THR 35 Ca 0.03 0.00 -0.34 0.00 -2.27 0.00 0.00 64.05 61.48 3dll n THR 35 Cb 0.38 -1.36 -0.12 0.00 -2.10 0.00 0.00 70.33 67.13 3dll n THR 35 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 3dll s THR 36 N 0.50 3.56 0.00 4.28 -4.23 -1.26 -4.19 115.64 114.30 3dll s THR 36 Ca 0.00 -0.51 0.00 0.00 -1.18 0.00 0.00 61.69 60.00 3dll s THR 36 Cb 0.00 -2.48 0.00 0.00 1.34 0.00 0.00 72.50 71.36 3dll s THR 36 CO 0.00 0.56 0.00 0.61 -0.54 0.00 0.00 174.62 175.25 3dll n GLY 37 N 2.75 0.00 2.06 3.99 0.00 -1.26 -4.80 105.19 107.94 3dll n GLY 37 Ca -0.18 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.71 3dll n GLY 37 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3dll n GLY 38 N 0.00 2.95 0.00 -0.02 0.00 -1.26 -4.80 105.19 102.06 3dll n GLY 38 Ca 0.00 -1.14 0.00 0.00 0.00 0.00 0.00 46.02 44.88 3dll n GLY 38 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3dll n GLY 39 N 2.62 3.34 0.71 -0.02 0.00 -1.26 -4.92 105.19 105.66 3dll n GLY 39 Ca 0.42 -1.80 0.01 0.00 0.00 0.00 0.00 46.02 44.65 3dll n GLY 39 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3dll n GLY 40 N -0.96 1.72 0.00 -0.02 0.00 -1.26 -4.71 105.19 99.96 3dll n GLY 40 Ca 0.00 -0.14 0.00 0.00 0.00 0.00 0.00 46.02 45.88 3dll n GLY 40 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3dll n ASN 41 N 0.09 0.00 -2.96 1.61 3.02 -1.26 -5.03 115.26 110.73 3dll n ASN 41 Ca 0.04 0.00 -0.06 0.00 -0.03 0.00 0.00 54.58 54.54 3dll n ASN 41 Cb 0.39 0.00 0.01 0.00 -0.61 0.00 0.00 39.78 39.57 3dll n ASN 41 CO 0.00 0.00 0.00 1.17 -2.62 0.00 0.00 177.26 175.81 3dll n LYS 42 N 0.00 -2.25 0.05 3.52 3.00 -1.26 -4.80 118.16 116.42 3dll n LYS 42 Ca 0.00 1.97 0.11 0.00 -0.00 0.00 0.00 58.31 60.40 3dll n LYS 42 Cb 0.00 -3.84 0.46 0.00 0.00 0.00 0.00 35.03 31.65 3dll n LYS 42 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 177.40 180.29 3dll n ARG 43 N 0.61 0.09 -4.05 1.64 1.85 -1.26 -4.85 116.66 110.69 3dll n ARG 43 Ca 0.01 0.20 -0.08 0.00 -1.00 0.00 0.00 57.85 56.98 3dll n ARG 43 Cb 0.29 -1.64 -0.10 0.00 -1.05 0.00 0.00 32.46 29.96 3dll n ARG 43 CO 0.00 0.00 0.00 0.71 -0.01 0.00 0.00 177.63 178.33 3dll s TYR 44 N -3.08 0.44 0.24 2.89 2.02 -1.26 -4.82 117.35 113.78 3dll s TYR 44 Ca 0.09 -0.87 0.06 0.00 -0.37 0.00 0.00 57.07 55.98 3dll s TYR 44 Cb 0.13 -0.32 -0.03 0.00 -0.40 0.00 0.00 41.96 41.34 3dll s TYR 44 CO 0.44 -0.30 0.29 0.00 -1.57 0.00 0.00 175.55 174.40 3dll s ALA 45 N -3.01 3.78 0.09 3.71 0.00 0.17 -4.84 121.76 121.65 3dll s ALA 45 Ca -0.01 -1.31 -0.09 0.00 0.00 0.00 0.00 51.96 50.54 3dll s ALA 45 Cb 0.01 -1.54 0.00 0.00 0.00 0.00 0.00 23.12 21.60 3dll s ALA 45 CO -0.07 0.25 0.21 -1.01 0.00 0.00 0.00 175.76 175.14 3dll s HIS 46 N -2.05 0.11 -0.04 0.00 0.09 -1.26 -1.19 115.29 110.95 3dll s HIS 46 Ca 0.33 -0.50 -0.38 0.00 -0.00 0.00 0.00 55.06 54.51 3dll s HIS 46 Cb -0.08 -0.03 -0.17 0.00 -0.00 0.00 0.00 32.58 32.30 3dll s HIS 46 CO 0.27 -0.54 1.42 1.55 -0.00 0.00 0.00 174.74 177.43 3dll n VAL 47 N 0.01 0.08 -0.02 -0.90 3.14 -1.26 -1.27 118.33 118.11 3dll n VAL 47 Ca -0.16 -0.01 0.00 0.00 -2.96 0.00 0.00 64.34 61.21 3dll n VAL 47 Cb 0.62 -0.80 0.00 0.00 -1.06 0.00 0.00 33.84 32.60 3dll n VAL 47 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 3dll n GLY 48 N 2.87 0.84 3.68 7.55 0.00 -0.61 -4.86 105.19 114.66 3dll n GLY 48 Ca 0.21 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.99 3dll n GLY 48 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3dll s ASP 49 N -2.32 4.81 -0.10 1.61 1.01 -0.39 -4.94 116.67 116.34 3dll s ASP 49 Ca 0.00 -0.46 -0.04 0.00 0.71 0.00 0.00 52.55 52.77 3dll s ASP 49 Cb 0.00 -1.02 -0.04 0.00 1.01 0.00 0.00 42.92 42.88 3dll s ASP 49 CO 0.00 0.04 0.04 -0.63 0.21 0.00 0.00 175.17 174.83 3dll s ILE 50 N -2.00 4.61 0.04 0.77 1.01 -1.26 -2.45 121.20 121.92 3dll s ILE 50 Ca 0.30 -0.13 0.05 0.00 0.00 0.00 0.00 60.65 60.86 3dll s ILE 50 Cb -0.08 -2.97 -0.02 0.00 0.01 0.00 0.00 42.46 39.40 3dll s ILE 50 CO 0.20 0.59 -0.13 0.27 0.00 0.00 0.00 174.94 175.87 3dll s ILE 51 N -0.76 1.05 0.46 2.92 -4.36 -0.26 -2.22 121.20 118.04 3dll s ILE 51 Ca 0.12 -0.96 -0.08 0.00 -0.26 0.00 0.00 60.65 59.47 3dll s ILE 51 Cb -0.12 -0.96 -0.05 0.00 1.25 0.00 0.00 42.46 42.59 3dll s ILE 51 CO 0.02 -0.00 0.80 -0.69 0.24 0.00 0.00 174.94 175.32 3dll s VAL 52 N -0.83 4.84 -0.10 8.37 1.01 0.35 -0.77 120.40 133.27 3dll s VAL 52 Ca 0.01 0.42 -0.30 0.00 0.00 0.00 0.00 61.98 62.11 3dll s VAL 52 Cb -0.08 -3.81 0.10 0.00 0.00 0.00 0.00 36.38 32.59 3dll s VAL 52 CO 0.01 -0.75 0.85 0.00 0.00 0.00 0.00 175.10 175.22 3dll s ALA 53 N -2.63 -1.85 -0.19 5.51 0.00 0.82 -2.21 121.76 121.21 3dll s ALA 53 Ca 0.50 1.41 -0.18 0.00 0.00 0.00 0.00 51.96 53.69 3dll s ALA 53 Cb -0.10 -0.31 -0.04 0.00 0.00 0.00 0.00 23.12 22.67 3dll s ALA 53 CO 0.40 -0.37 0.47 0.45 0.00 0.00 0.00 175.76 176.72 3dll s SER 54 N -1.28 6.55 -0.86 0.00 0.15 -0.73 0.32 113.70 117.85 3dll s SER 54 Ca -0.05 0.65 -0.06 0.00 0.70 0.00 0.00 55.95 57.19 3dll s SER 54 Cb -0.00 -2.27 -0.08 0.00 -1.71 0.00 0.00 66.02 61.95 3dll s SER 54 CO 0.04 -0.12 2.36 0.52 1.20 0.00 0.00 173.24 177.24 3dll n VAL 55 N 4.32 2.68 -0.02 4.45 0.31 0.21 -1.42 118.33 128.86 3dll n VAL 55 Ca -0.06 -1.56 -0.01 0.00 -0.01 0.00 0.00 64.34 62.70 3dll n VAL 55 Cb 0.51 -2.16 -0.01 0.00 -0.91 0.00 0.00 33.84 31.28 3dll n VAL 55 CO 0.00 0.00 0.00 0.29 -1.32 0.00 0.00 176.83 175.80 3dll n LYS 56 N 3.77 -0.03 -3.45 5.55 4.76 -1.16 -2.11 118.16 125.49 3dll n LYS 56 Ca 0.47 0.31 -0.16 0.00 -2.87 0.00 0.00 58.31 56.07 3dll n LYS 56 Cb 0.25 -0.47 -0.11 0.00 -1.84 0.00 0.00 35.03 32.85 3dll n LYS 56 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 3dll s ASP 57 N -3.43 1.07 0.29 4.39 1.01 -1.16 -4.12 116.67 114.72 3dll s ASP 57 Ca -0.01 -0.12 0.09 0.00 0.71 0.00 0.00 52.55 53.22 3dll s ASP 57 Cb 0.01 0.60 -0.04 0.00 1.01 0.00 0.00 42.92 44.49 3dll s ASP 57 CO 0.04 -0.32 0.03 0.00 0.21 0.00 0.00 175.17 175.12 3dll s ALA 58 N 2.39 3.23 0.62 5.23 0.00 -1.26 -2.47 121.76 129.51 3dll s ALA 58 Ca 0.09 -1.73 -0.15 0.00 0.00 0.00 0.00 51.96 50.17 3dll s ALA 58 Cb -0.16 -0.71 -0.02 0.00 0.00 0.00 0.00 23.12 22.23 3dll s ALA 58 CO -0.14 0.20 1.07 0.00 0.00 0.00 0.00 175.76 176.88 3dll s ALA 59 N -2.37 2.66 0.53 0.00 0.00 -1.10 -4.77 121.76 116.71 3dll s ALA 59 Ca 0.33 0.40 -0.19 0.00 0.00 0.00 0.00 51.96 52.50 3dll s ALA 59 Cb -0.05 -3.25 -0.07 0.00 0.00 0.00 0.00 23.12 19.76 3dll s ALA 59 CO 0.20 -0.97 1.07 -1.25 0.00 0.00 0.00 175.76 174.81 3dll s PRO 60 N -4.17 3.56 -0.14 0.00 0.04 -1.26 -4.45 135.00 128.57 3dll s PRO 60 Ca 0.64 1.40 -0.02 0.00 0.04 0.00 0.00 61.00 63.05 3dll s PRO 60 Cb -0.17 -2.06 0.00 0.00 0.04 0.00 0.00 34.50 32.32 3dll s PRO 60 CO 0.40 -0.64 0.08 0.54 0.04 0.00 0.00 177.00 177.42 3dll n ARG 61 N -1.30 -1.30 -3.64 4.56 1.74 -1.26 -5.10 116.66 110.36 3dll n ARG 61 Ca 0.10 1.36 -0.02 0.00 -0.77 0.00 0.00 57.85 58.52 3dll n ARG 61 Cb 0.52 -2.95 -0.03 0.00 -1.02 0.00 0.00 32.46 28.98 3dll n ARG 61 CO 0.00 0.00 0.00 0.20 -1.52 0.00 0.00 177.63 176.31 3dll s GLY 62 N -1.00 -0.05 0.03 -0.13 0.00 -1.26 -4.89 107.32 100.03 3dll s GLY 62 Ca 0.03 2.39 -0.24 0.00 0.00 0.00 0.00 44.72 46.90 3dll s GLY 62 CO 0.32 0.87 1.48 0.00 0.00 0.00 0.00 173.10 175.78 3dll h ALA 63 N 2.01 0.04 -2.60 3.20 0.00 -1.91 -3.43 119.26 116.57 3dll h ALA 63 Ca -0.05 -0.14 -0.55 0.00 0.00 0.00 0.00 54.91 54.17 3dll h ALA 63 Cb 1.16 -0.01 -0.04 0.00 0.00 0.00 0.00 17.79 18.90 3dll h ALA 63 CO 0.20 -0.32 -0.02 0.08 0.00 0.00 0.00 179.25 179.19 3dll s VAL 64 N -5.11 4.76 0.27 0.00 1.01 -1.14 -5.08 120.40 115.11 3dll s VAL 64 Ca -0.15 1.03 0.05 0.00 0.00 0.00 0.00 61.98 62.92 3dll s VAL 64 Cb 0.04 -3.80 -0.02 0.00 0.00 0.00 0.00 36.38 32.60 3dll s VAL 64 CO 0.68 0.30 0.20 0.29 0.00 0.00 0.00 175.10 176.56 3dll n LYS 65 N 0.98 0.38 -1.70 2.72 5.02 -1.26 -4.22 118.16 120.07 3dll n LYS 65 Ca -0.06 -2.58 -0.42 0.00 -2.02 0.00 0.00 58.31 53.24 3dll n LYS 65 Cb 0.51 1.97 -0.03 0.00 -0.02 0.00 0.00 35.03 37.46 3dll n LYS 65 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3dll s ALA 66 N -3.00 3.60 0.00 7.82 0.00 -1.26 -2.13 121.76 126.78 3dll s ALA 66 Ca 0.28 1.31 0.00 0.00 0.00 0.00 0.00 51.96 53.55 3dll s ALA 66 Cb 0.01 -3.83 0.00 0.00 0.00 0.00 0.00 23.12 19.30 3dll s ALA 66 CO 0.20 -1.53 0.00 0.41 0.00 0.00 0.00 175.76 174.84 3dll n GLY 67 N 4.48 0.73 3.71 0.00 0.00 -0.90 -5.00 105.19 108.21 3dll n GLY 67 Ca 0.19 -0.16 -0.40 0.00 0.00 0.00 0.00 46.02 45.65 3dll n GLY 67 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3dll s ASP 68 N -2.15 6.99 -0.29 1.61 1.01 -0.91 -4.67 116.67 118.26 3dll s ASP 68 Ca 0.00 1.19 -0.28 0.00 0.71 0.00 0.00 52.55 54.17 3dll s ASP 68 Cb 0.00 -2.42 0.01 0.00 1.01 0.00 0.00 42.92 41.52 3dll s ASP 68 CO 0.00 -0.17 1.02 -0.69 0.21 0.00 0.00 175.17 175.55 3dll s VAL 69 N 1.05 4.60 0.12 -1.27 1.01 -1.26 0.64 120.40 125.29 3dll s VAL 69 Ca 0.38 1.74 0.02 0.00 0.00 0.00 0.00 61.98 64.11 3dll s VAL 69 Cb -0.18 -4.35 -0.04 0.00 0.00 0.00 0.00 36.38 31.81 3dll s VAL 69 CO 0.17 -0.36 -0.04 0.68 0.00 0.00 0.00 175.10 175.55 3dll s VAL 70 N 3.43 0.66 -0.29 2.92 -7.23 0.97 -4.85 120.40 116.00 3dll s VAL 70 Ca 0.43 -1.94 -0.14 0.00 -1.81 0.00 0.00 61.98 58.51 3dll s VAL 70 Cb -0.13 -1.80 -0.03 0.00 0.56 0.00 0.00 36.38 34.98 3dll s VAL 70 CO 0.12 -0.76 0.34 -0.54 -0.31 0.00 0.00 175.10 173.96 3dll s LYS 71 N -3.86 3.86 0.22 4.82 1.02 -1.26 0.29 119.74 124.82 3dll s LYS 71 Ca 0.15 -0.15 0.07 0.00 0.02 0.00 0.00 55.97 56.06 3dll s LYS 71 Cb 0.06 -3.70 -0.05 0.00 -0.52 0.00 0.00 37.83 33.61 3dll s LYS 71 CO -0.02 -0.34 -0.13 0.00 -0.92 0.00 0.00 175.35 173.93 3dll s ALA 72 N 2.02 2.06 -0.19 5.17 0.00 0.05 0.93 121.76 131.79 3dll s ALA 72 Ca 0.13 -1.70 -0.04 0.00 0.00 0.00 0.00 51.96 50.35 3dll s ALA 72 Cb -0.16 -0.04 -0.02 0.00 0.00 0.00 0.00 23.12 22.90 3dll s ALA 72 CO 0.11 0.04 -0.03 0.54 0.00 0.00 0.00 175.76 176.42 3dll s VAL 73 N -2.99 3.72 0.29 0.00 0.11 -1.20 -1.10 120.40 119.23 3dll s VAL 73 Ca 0.24 -0.40 -0.29 0.00 -2.93 0.00 0.00 61.98 58.60 3dll s VAL 73 Cb 0.00 -2.67 -0.10 0.00 -1.53 0.00 0.00 36.38 32.09 3dll s VAL 73 CO 0.08 0.45 1.23 -0.69 -3.33 0.00 0.00 175.10 172.83 3dll s VAL 74 N 0.92 3.10 0.00 2.04 1.01 -1.03 -0.51 120.40 125.94 3dll s VAL 74 Ca 0.00 1.07 0.00 0.00 0.00 0.00 0.00 61.98 63.05 3dll s VAL 74 Cb -0.14 -3.68 0.00 0.00 0.00 0.00 0.00 36.38 32.55 3dll s VAL 74 CO 0.01 0.24 0.11 1.33 0.00 0.00 0.00 175.10 176.79 3dll n VAL 75 N 1.27 0.00 -3.69 2.92 0.24 0.68 -1.57 118.33 118.19 3dll n VAL 75 Ca 0.01 -0.16 -0.10 0.00 -2.04 0.00 0.00 64.34 62.04 3dll n VAL 75 Cb 0.43 1.48 -0.11 0.00 -1.47 0.00 0.00 33.84 34.17 3dll n VAL 75 CO 0.00 0.00 0.00 -0.13 -2.14 0.00 0.00 176.83 174.56 3dll s ARG 76 N -0.09 0.34 -0.05 7.34 0.52 -0.63 -3.11 118.95 123.26 3dll s ARG 76 Ca 0.00 0.80 0.01 0.00 -0.52 0.00 0.00 55.73 56.02 3dll s ARG 76 Cb 0.00 0.03 0.02 0.00 0.52 0.00 0.00 34.95 35.52 3dll s ARG 76 CO 0.00 -0.19 -0.04 0.95 0.02 0.00 0.00 175.30 176.04 3dll s THR 77 N 1.69 0.58 -0.45 0.02 -4.23 -1.26 0.56 115.64 112.55 3dll s THR 77 Ca -0.07 -0.12 0.17 0.00 -1.18 0.00 0.00 61.69 60.49 3dll s THR 77 Cb -0.10 -0.62 0.18 0.00 1.34 0.00 0.00 72.50 73.30 3dll s THR 77 CO -0.12 0.25 1.53 -0.24 -0.54 0.00 0.00 174.62 175.50 3dll n SER 78 N 4.24 0.44 0.00 3.99 2.88 -1.23 -3.06 113.62 120.89 3dll n SER 78 Ca -0.21 0.68 0.00 0.00 -1.33 0.00 0.00 58.87 58.01 3dll n SER 78 Cb 0.51 -0.75 0.00 0.00 -0.75 0.00 0.00 64.21 63.22 3dll n SER 78 CO 0.00 0.00 0.00 1.57 -1.23 0.00 0.00 175.04 175.38 3dll n HIS 79 N -2.07 0.00 0.00 0.66 -0.00 -1.26 -4.60 115.22 107.95 3dll n HIS 79 Ca -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.72 3dll n HIS 79 Cb 0.07 0.00 0.00 0.00 -0.00 0.00 0.00 29.99 30.06 3dll n HIS 79 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 3dll n ALA 80 N -3.00 0.00 -2.84 1.57 0.00 -1.26 -4.57 120.51 110.41 3dll n ALA 80 Ca 0.00 0.00 -0.35 0.00 0.00 0.00 0.00 53.44 53.09 3dll n ALA 80 Cb 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 19.40 3dll n ALA 80 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 177.50 176.00 3dll s ILE 81 N 0.00 5.40 -0.26 0.00 -1.16 -0.52 -4.90 121.20 119.76 3dll s ILE 81 Ca 0.00 0.07 0.03 0.00 -0.51 0.00 0.00 60.65 60.24 3dll s ILE 81 Cb 0.00 -3.52 0.06 0.00 0.61 0.00 0.00 42.46 39.61 3dll s ILE 81 CO 0.00 0.42 -0.10 -0.75 -2.81 0.00 0.00 174.94 171.70 3dll s LYS 82 N -1.62 2.13 0.49 3.50 2.20 -1.26 -1.50 119.74 123.68 3dll s LYS 82 Ca 0.24 -1.33 -0.20 0.00 -0.36 0.00 0.00 55.97 54.33 3dll s LYS 82 Cb -0.13 -2.86 -0.08 0.00 -1.51 0.00 0.00 37.83 33.25 3dll s LYS 82 CO 0.14 -0.59 1.03 1.03 -0.36 0.00 0.00 175.35 176.60 3dll s ARG 83 N 1.13 3.80 0.56 4.03 0.52 -1.15 -4.93 118.95 122.91 3dll s ARG 83 Ca -0.08 1.31 0.30 0.00 -0.52 0.00 0.00 55.73 56.74 3dll s ARG 83 Cb -0.20 -2.10 1.46 0.00 0.52 0.00 0.00 34.95 34.63 3dll s ARG 83 CO -0.05 -0.43 1.88 0.00 0.02 0.00 0.00 175.30 176.72 3dll h ALA 84 N 1.46 2.53 -0.58 2.13 0.00 -2.00 0.25 119.26 123.05 3dll h ALA 84 Ca -0.49 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.38 3dll h ALA 84 Cb 1.22 0.05 -0.03 0.00 0.00 0.00 0.00 17.79 19.03 3dll h ALA 84 CO 0.59 -0.93 0.29 0.38 0.00 0.00 0.00 179.25 179.58 3dll h ASP 85 N 0.00 0.74 0.00 0.00 2.03 -2.05 -3.46 116.42 113.68 3dll h ASP 85 Ca 0.32 -0.12 0.00 0.00 -0.73 0.00 0.00 57.03 56.50 3dll h ASP 85 Cb 1.48 -0.19 0.00 0.00 -0.83 0.00 0.00 39.33 39.78 3dll h ASP 85 CO -0.00 0.65 0.00 0.61 -1.03 0.00 0.00 179.24 179.47 3dll n GLY 86 N -0.96 1.44 3.37 7.15 0.00 0.88 -5.13 105.19 111.94 3dll n GLY 86 Ca 0.03 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.76 3dll n GLY 86 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3dll n SER 87 N 0.00 -2.20 -3.87 1.61 3.41 -1.25 -4.75 113.62 106.57 3dll n SER 87 Ca 0.00 -0.23 -0.11 0.00 -0.26 0.00 0.00 58.87 58.27 3dll n SER 87 Cb 0.00 -1.12 -0.12 0.00 -0.26 0.00 0.00 64.21 62.71 3dll n SER 87 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 3dll s THR 88 N -2.31 0.05 0.21 6.66 2.01 -1.26 -2.94 115.64 118.05 3dll s THR 88 Ca 0.64 -0.38 0.08 0.00 0.31 0.00 0.00 61.69 62.33 3dll s THR 88 Cb -0.20 -0.28 -0.05 0.00 0.01 0.00 0.00 72.50 71.98 3dll s THR 88 CO 0.65 -0.21 -0.14 -0.63 -0.69 0.00 0.00 174.62 173.60 3dll s ILE 89 N -0.68 1.71 -0.29 1.82 1.01 -0.56 -4.98 121.20 119.23 3dll s ILE 89 Ca -0.08 -2.20 -0.25 0.00 0.00 0.00 0.00 60.65 58.12 3dll s ILE 89 Cb -0.05 -2.06 0.15 0.00 0.01 0.00 0.00 42.46 40.52 3dll s ILE 89 CO 0.00 -0.59 1.20 0.00 0.00 0.00 0.00 174.94 175.56 3dll s ARG 90 N -3.65 0.32 0.19 2.79 1.70 -1.26 -1.44 118.95 117.59 3dll s ARG 90 Ca 0.23 0.38 0.11 0.00 -0.47 0.00 0.00 55.73 55.98 3dll s ARG 90 Cb -0.00 0.15 -0.04 0.00 -0.57 0.00 0.00 34.95 34.49 3dll s ARG 90 CO 0.07 -0.04 -0.21 -0.06 -1.08 0.00 0.00 175.30 173.98 3dll s PHE 91 N 0.16 2.36 0.32 5.89 0.40 -1.17 -5.03 117.98 120.92 3dll s PHE 91 Ca 0.05 -0.33 0.06 0.00 -0.60 0.00 0.00 56.93 56.10 3dll s PHE 91 Cb -0.05 -1.17 0.71 0.00 0.51 0.00 0.00 43.02 43.03 3dll s PHE 91 CO -0.10 0.51 1.85 -0.44 0.70 0.00 0.00 175.22 177.74 3dll h ASP 92 N 3.13 0.77 -3.42 1.36 5.19 -1.92 -3.26 116.42 118.28 3dll h ASP 92 Ca -0.46 0.05 -0.50 0.00 -0.62 0.00 0.00 57.03 55.50 3dll h ASP 92 Cb 1.21 -0.11 -0.34 0.00 0.18 0.00 0.00 39.33 40.27 3dll h ASP 92 CO 0.49 0.39 -0.81 -0.13 -3.12 0.00 0.00 179.24 176.07 3dll s ARG 93 N -5.79 1.55 0.62 3.56 0.52 -1.26 -4.79 118.95 113.35 3dll s ARG 93 Ca -0.11 -0.36 -0.17 0.00 -0.52 0.00 0.00 55.73 54.58 3dll s ARG 93 Cb 0.22 -1.31 -0.02 0.00 0.52 0.00 0.00 34.95 34.36 3dll s ARG 93 CO 0.80 0.00 1.12 -0.80 0.02 0.00 0.00 175.30 176.44 3dll s ASN 94 N 0.73 5.28 -0.18 0.23 0.01 -1.26 -4.54 114.94 115.22 3dll s ASN 94 Ca -0.14 2.08 -0.29 0.00 -0.71 0.00 0.00 52.86 53.81 3dll s ASN 94 Cb -0.15 -2.56 0.13 0.00 0.41 0.00 0.00 41.25 39.07 3dll s ASN 94 CO 0.03 -1.51 1.01 0.00 -1.51 0.00 0.00 177.10 175.12 3dll s ALA 95 N -2.11 -1.94 0.00 0.60 0.00 0.19 -3.54 121.76 114.96 3dll s ALA 95 Ca 0.69 1.63 0.00 0.00 0.00 0.00 0.00 51.96 54.29 3dll s ALA 95 Cb -0.22 -0.84 0.00 0.00 0.00 0.00 0.00 23.12 22.06 3dll s ALA 95 CO 0.36 -0.29 0.00 0.00 0.00 0.00 0.00 175.76 175.83 3dll n ALA 96 N 0.95 0.00 -3.47 0.00 0.00 1.55 -0.23 120.51 119.32 3dll n ALA 96 Ca -0.10 0.00 -0.29 0.00 0.00 0.00 0.00 53.44 53.05 3dll n ALA 96 Cb 0.58 0.00 -0.12 0.00 0.00 0.00 0.00 19.45 19.91 3dll n ALA 96 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 3dll s VAL 97 N -0.87 0.29 0.24 0.00 1.01 0.33 0.22 120.40 121.62 3dll s VAL 97 Ca 0.00 -1.99 -0.24 0.00 0.00 0.00 0.00 61.98 59.75 3dll s VAL 97 Cb 0.00 -1.22 -0.15 0.00 0.00 0.00 0.00 36.38 35.01 3dll s VAL 97 CO 0.00 -1.04 0.36 -0.38 0.00 0.00 0.00 175.10 174.04 3dll n ILE 98 N 3.73 1.47 -1.12 2.22 5.41 -1.26 -3.22 119.36 126.59 3dll n ILE 98 Ca 0.16 -0.46 0.00 0.00 1.00 0.00 0.00 62.75 63.45 3dll n ILE 98 Cb 0.39 0.00 0.00 0.00 -0.71 0.00 0.00 39.64 39.32 3dll n ILE 98 CO 0.00 0.00 0.00 2.30 0.00 0.00 0.00 176.55 178.85 3dll n ILE 99 N -0.27 0.00 -3.75 1.39 -5.35 0.26 -1.80 119.36 109.84 3dll n ILE 99 Ca 0.15 0.00 -0.13 0.00 -0.27 0.00 0.00 62.75 62.50 3dll n ILE 99 Cb 0.27 0.00 -0.11 0.00 -1.74 0.00 0.00 39.64 38.06 3dll n ILE 99 CO 0.00 0.00 0.00 0.54 -1.76 0.00 0.00 176.55 175.33 3dll s ASN 100 N 1.00 -0.33 0.00 7.28 4.22 -1.14 -4.45 114.94 121.51 3dll s ASN 100 Ca 0.00 0.64 0.00 0.00 -2.14 0.00 0.00 52.86 51.36 3dll s ASN 100 Cb 0.00 0.61 0.00 0.00 1.28 0.00 0.00 41.25 43.14 3dll s ASN 100 CO 0.00 -0.13 0.00 0.59 -2.04 0.00 0.00 177.10 175.52 3dll n ASN 101 N 3.28 0.00 0.00 3.54 3.02 -1.26 0.70 115.26 124.54 3dll n ASN 101 Ca -0.16 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.39 3dll n ASN 101 Cb 0.57 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.74 3dll n ASN 101 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3dll n GLN 102 N 0.16 3.39 0.00 3.52 1.13 -1.26 -4.05 117.38 120.27 3dll n GLN 102 Ca 0.00 0.00 0.00 0.00 -1.94 0.00 0.00 57.00 55.06 3dll n GLN 102 Cb 0.00 -0.37 0.00 0.00 0.11 0.00 0.00 30.24 29.98 3dll n GLN 102 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 3dll n GLY 103 N 0.68 1.70 3.77 1.08 0.00 0.22 -4.23 105.19 108.40 3dll n GLY 103 Ca 0.00 -0.40 -0.39 0.00 0.00 0.00 0.00 46.02 45.23 3dll n GLY 103 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 3dll s GLU 104 N 0.00 4.04 0.62 1.61 -1.05 -1.26 -4.77 118.70 117.89 3dll s GLU 104 Ca 0.00 2.00 -0.17 0.00 -0.15 0.00 0.00 54.97 56.65 3dll s GLU 104 Cb 0.00 -2.74 -0.02 0.00 -0.44 0.00 0.00 34.13 30.93 3dll s GLU 104 CO 0.00 -0.38 1.13 -1.25 0.95 0.00 0.00 175.26 175.71 3dll s PRO 105 N -2.22 2.93 0.00 -4.83 0.04 -1.26 -2.89 135.00 126.77 3dll s PRO 105 Ca 0.56 1.52 0.27 0.00 0.04 0.00 0.00 61.00 63.39 3dll s PRO 105 Cb -0.35 -1.96 1.36 0.00 0.04 0.00 0.00 34.50 33.60 3dll s PRO 105 CO 0.44 -1.17 1.93 0.54 0.04 0.00 0.00 177.00 178.78 3dll n ARG 106 N -2.05 0.36 -3.36 4.56 1.74 -0.74 -4.86 116.66 112.31 3dll n ARG 106 Ca 0.11 0.03 -0.21 0.00 -0.77 0.00 0.00 57.85 57.01 3dll n ARG 106 Cb 0.51 -1.50 0.02 0.00 -1.02 0.00 0.00 32.46 30.47 3dll n ARG 106 CO 0.00 0.00 0.00 0.20 -1.52 0.00 0.00 177.63 176.31 3dll s GLY 107 N -2.60 2.02 0.00 -0.13 0.00 -1.26 -4.72 107.32 100.62 3dll s GLY 107 Ca 0.25 -1.79 0.24 0.00 0.00 0.00 0.00 44.72 43.41 3dll s GLY 107 CO 0.42 -1.72 1.41 -1.30 0.00 0.00 0.00 173.10 171.91 3dll n THR 108 N -1.91 0.27 0.00 0.90 -2.24 -1.26 -4.96 114.28 105.08 3dll n THR 108 Ca 0.07 -0.57 0.00 0.00 -2.27 0.00 0.00 64.05 61.28 3dll n THR 108 Cb 0.62 1.01 0.00 0.00 -2.10 0.00 0.00 70.33 69.86 3dll n THR 108 CO 0.00 0.00 0.00 -2.11 -0.57 0.00 0.00 175.07 172.39 3dll n ARG 109 N 1.18 0.00 -4.19 -0.78 1.85 -1.26 -5.04 116.66 108.41 3dll n ARG 109 Ca 0.17 0.00 -0.24 0.00 -1.00 0.00 0.00 57.85 56.78 3dll n ARG 109 Cb 0.55 0.00 -0.06 0.00 -1.05 0.00 0.00 32.46 31.89 3dll n ARG 109 CO 0.00 0.00 0.00 0.08 -0.01 0.00 0.00 177.63 177.70 3dll s VAL 110 N -2.00 3.92 -0.05 8.89 1.01 -1.09 -2.05 120.40 129.02 3dll s VAL 110 Ca 0.00 -1.52 0.06 0.00 0.00 0.00 0.00 61.98 60.52 3dll s VAL 110 Cb 0.00 -3.05 -0.01 0.00 0.00 0.00 0.00 36.38 33.32 3dll s VAL 110 CO 0.00 -0.24 -0.24 -0.36 0.00 0.00 0.00 175.10 174.25 3dll s PHE 111 N -2.00 2.45 0.32 5.22 0.40 0.07 -4.62 117.98 119.82 3dll s PHE 111 Ca 0.30 -0.63 0.00 0.00 -0.60 0.00 0.00 56.93 56.01 3dll s PHE 111 Cb -0.08 -1.59 0.00 0.00 0.51 0.00 0.00 43.02 41.86 3dll s PHE 111 CO 0.21 -0.15 0.00 0.41 0.70 0.00 0.00 175.22 176.39 3dll n GLY 112 N 2.82 -3.27 2.95 4.36 0.00 -1.26 -4.74 105.19 106.06 3dll n GLY 112 Ca -0.17 -1.15 -0.14 0.00 0.00 0.00 0.00 46.02 44.56 3dll n GLY 112 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 3dll n PRO 113 N -2.64 -1.71 -3.61 1.61 -0.04 -1.26 -4.66 135.00 122.69 3dll n PRO 113 Ca -0.02 -0.51 -0.16 0.00 -0.04 0.00 0.00 63.50 62.77 3dll n PRO 113 Cb 0.31 -1.35 -0.07 0.00 -0.04 0.00 0.00 33.50 32.35 3dll n PRO 113 CO 0.00 0.00 0.00 0.14 -0.04 0.00 0.00 175.50 175.60 3dll s VAL 114 N -2.05 0.02 0.78 0.52 -7.23 -0.87 -4.90 120.40 106.67 3dll s VAL 114 Ca 0.28 -0.17 -0.14 0.00 -1.81 0.00 0.00 61.98 60.14 3dll s VAL 114 Cb -0.04 -0.86 0.07 0.00 0.56 0.00 0.00 36.38 36.11 3dll s VAL 114 CO 0.26 -0.09 1.20 0.00 -0.31 0.00 0.00 175.10 176.16 3dll s ALA 115 N -1.19 1.94 -0.30 1.32 0.00 -1.18 -1.72 121.76 120.62 3dll s ALA 115 Ca -0.12 0.83 0.23 0.00 0.00 0.00 0.00 51.96 52.91 3dll s ALA 115 Cb -0.02 -3.48 0.44 0.00 0.00 0.00 0.00 23.12 20.06 3dll s ALA 115 CO 0.08 -2.14 1.63 -0.09 0.00 0.00 0.00 175.76 175.24 3dll h ARG 116 N -0.72 0.00 -0.11 0.00 2.43 -1.74 -3.11 114.38 111.14 3dll h ARG 116 Ca -0.47 0.00 0.03 0.00 -0.81 0.00 0.00 59.98 58.74 3dll h ARG 116 Cb 1.29 0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 30.84 3dll h ARG 116 CO 0.47 0.10 0.35 1.49 -1.51 0.00 0.00 179.97 180.87 3dll h GLU 117 N 0.00 0.00 0.05 0.20 4.81 -1.90 -0.46 114.58 117.28 3dll h GLU 117 Ca -0.00 0.00 -0.00 0.00 -0.13 0.00 0.00 59.36 59.23 3dll h GLU 117 Cb 1.00 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.38 3dll h GLU 117 CO 0.01 0.00 -0.03 -0.07 -0.73 0.00 0.00 179.01 178.20 3dll h LEU 118 N 0.00 -0.06 -0.75 1.64 3.38 -1.87 -2.42 115.31 115.23 3dll h LEU 118 Ca 0.05 -0.50 0.15 0.00 0.09 0.00 0.00 57.88 57.67 3dll h LEU 118 Cb 0.75 0.02 -0.14 0.00 0.09 0.00 0.00 40.66 41.37 3dll h LEU 118 CO -0.00 0.49 -0.20 -0.09 0.09 0.00 0.00 178.44 178.73 3dll h ARG 119 N -0.64 -0.01 -0.59 1.13 2.43 -1.30 0.32 114.38 115.71 3dll h ARG 119 Ca -0.01 0.00 0.12 0.00 -0.81 0.00 0.00 59.98 59.28 3dll h ARG 119 Cb 0.56 0.00 -0.09 0.00 -0.42 0.00 0.00 29.97 30.01 3dll h ARG 119 CO 0.01 -0.01 0.05 -0.44 -1.51 0.00 0.00 179.97 178.07 3dll h ASP 120 N -0.01 -0.17 -0.15 -3.80 3.32 -1.40 0.28 116.42 114.49 3dll h ASP 120 Ca 0.35 0.13 -0.08 0.00 0.02 0.00 0.00 57.03 57.46 3dll h ASP 120 Cb 0.55 0.22 -0.05 0.00 0.22 0.00 0.00 39.33 40.28 3dll h ASP 120 CO -0.77 -0.07 0.10 0.54 -1.72 0.00 0.00 179.24 177.32 3dll n ARG 121 N -5.22 1.19 -0.63 3.56 5.12 0.11 -4.86 116.66 115.93 3dll n ARG 121 Ca 0.09 -0.45 0.00 0.00 -1.93 0.00 0.00 57.85 55.55 3dll n ARG 121 Cb 0.33 -1.18 0.00 0.00 -1.16 0.00 0.00 32.46 30.46 3dll n ARG 121 CO 0.00 0.00 0.00 0.54 -1.93 0.00 0.00 177.63 176.24 3dll n ARG 122 N 0.28 -0.83 0.00 5.56 5.12 0.09 -4.84 116.66 122.04 3dll n ARG 122 Ca 0.09 0.18 0.00 0.00 -1.93 0.00 0.00 57.85 56.19 3dll n ARG 122 Cb 0.67 -4.37 0.00 0.00 -1.16 0.00 0.00 32.46 27.60 3dll n ARG 122 CO 0.00 0.00 0.00 1.19 -1.93 0.00 0.00 177.63 176.89 3dll n PHE 123 N -1.72 0.00 0.00 -1.55 0.99 -1.08 -4.70 117.46 109.40 3dll n PHE 123 Ca 0.00 -0.08 0.00 0.00 -0.00 0.00 0.00 57.45 57.37 3dll n PHE 123 Cb 0.18 -0.09 0.00 0.00 -1.00 0.00 0.00 39.48 38.57 3dll n PHE 123 CO 0.00 0.00 0.00 -1.33 -0.00 0.00 0.00 176.76 175.43 3dll n MET 124 N 0.59 0.00 -0.19 -1.08 2.81 -1.26 -0.72 117.12 117.26 3dll n MET 124 Ca 0.00 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 55.89 3dll n MET 124 Cb 0.12 0.00 0.03 0.00 -0.71 0.00 0.00 33.22 32.67 3dll n MET 124 CO 0.00 0.00 0.00 1.63 1.51 0.00 0.00 175.97 179.11 3dll n LYS 125 N -0.47 -0.10 0.10 0.03 4.76 -1.26 0.24 118.16 121.47 3dll n LYS 125 Ca 0.00 0.77 -0.13 0.00 -2.87 0.00 0.00 58.31 56.08 3dll n LYS 125 Cb 0.00 -1.15 -0.08 0.00 -1.84 0.00 0.00 35.03 31.96 3dll n LYS 125 CO 0.00 0.00 0.00 0.82 -1.37 0.00 0.00 177.40 176.85 3dll h ILE 126 N 0.00 0.91 -1.43 -0.18 2.04 -1.27 -1.98 117.51 115.60 3dll h ILE 126 Ca 0.19 -0.20 0.46 0.00 1.00 0.00 0.00 64.86 66.31 3dll h ILE 126 Cb 0.31 1.03 -0.12 0.00 -0.74 0.00 0.00 36.82 37.31 3dll h ILE 126 CO -0.50 0.05 0.95 1.62 0.00 0.00 0.00 178.15 180.27 3dll h VAL 127 N -0.29 0.11 0.08 1.67 3.04 0.33 0.33 116.25 121.53 3dll h VAL 127 Ca -0.02 -0.02 -0.25 0.00 -1.01 0.00 0.00 66.70 65.40 3dll h VAL 127 Cb 0.23 0.04 0.00 0.00 -2.01 0.00 0.00 31.29 29.55 3dll h VAL 127 CO 0.03 0.01 -1.12 0.28 -1.01 0.00 0.00 177.57 175.76 3dll h SER 128 N 0.06 0.40 -1.28 3.17 0.02 -0.27 -3.27 113.55 112.38 3dll h SER 128 Ca 0.83 -0.39 -0.63 0.00 -0.84 0.00 0.00 61.79 60.76 3dll h SER 128 Cb 2.78 -0.13 -0.24 0.00 0.14 0.00 0.00 62.40 64.95 3dll h SER 128 CO -0.33 1.27 0.80 0.00 -1.14 0.00 0.00 176.83 177.42 3dll n LEU 129 N -3.58 7.27 -4.08 5.07 -0.00 0.12 -4.88 117.00 116.92 3dll n LEU 129 Ca -0.07 -4.30 -0.32 0.00 -0.00 0.00 0.00 56.01 51.32 3dll n LEU 129 Cb 0.96 -1.06 -0.15 0.00 -0.00 0.00 0.00 43.42 43.16 3dll n LEU 129 CO 0.52 1.58 -0.48 0.00 -0.00 0.00 0.00 177.39 179.01 3dll s ALA 130 N -3.28 2.44 0.42 1.47 0.00 -1.19 -2.67 121.76 118.96 3dll s ALA 130 Ca 0.55 -1.56 0.07 0.00 0.00 0.00 0.00 51.96 51.02 3dll s ALA 130 Cb 0.43 -1.45 0.39 0.00 0.00 0.00 0.00 23.12 22.49 3dll s ALA 130 CO -0.19 -0.93 1.11 -1.00 0.00 0.00 0.00 175.76 174.75 3dll h PRO 131 N 7.84 0.00 -1.27 0.00 0.13 -1.83 -3.40 132.00 133.47 3dll h PRO 131 Ca -0.27 0.00 0.15 0.00 -0.87 0.00 0.00 66.00 65.00 3dll h PRO 131 Cb 1.07 0.00 -0.30 0.00 0.13 0.00 0.00 31.00 31.91 3dll h PRO 131 CO 0.51 0.00 0.73 -2.00 -0.23 0.00 0.00 178.00 177.01 3dll s GLU 132 N -3.52 0.24 -0.79 0.86 2.12 -1.26 -4.98 118.70 111.37 3dll s GLU 132 Ca -0.01 0.24 0.02 0.00 0.36 0.00 0.00 54.97 55.59 3dll s GLU 132 Cb 0.02 0.11 0.29 0.00 0.26 0.00 0.00 34.13 34.81 3dll s GLU 132 CO 0.06 -0.04 1.10 0.28 -0.54 0.00 0.00 175.26 176.13 3dll n VAL 133 N 1.65 3.70 0.17 3.70 0.31 -1.26 -2.05 118.33 124.54 3dll n VAL 133 Ca -0.10 -5.57 0.01 0.00 -0.01 0.00 0.00 64.34 58.68 3dll n VAL 133 Cb 0.57 -1.91 0.08 0.00 -0.91 0.00 0.00 33.84 31.67 3dll n VAL 133 CO 0.00 0.00 0.00 0.18 -1.32 0.00 0.00 176.83 175.69