#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2gia s LEU 29 N 0.00 3.83 0.33 1.04 1.43 -1.26 -5.00 118.68 119.04 2gia s LEU 29 Ca 0.00 1.76 -0.29 0.00 -1.03 0.00 0.00 54.13 54.57 2gia s LEU 29 Cb 0.00 -4.54 -0.11 0.00 0.03 0.00 0.00 46.19 41.57 2gia s LEU 29 CO 0.00 -0.59 1.45 -2.84 0.23 0.00 0.00 176.35 174.59 2gia s PRO 30 N -3.41 4.20 0.19 1.29 0.02 -1.26 -4.87 135.00 131.18 2gia s PRO 30 Ca 0.63 2.43 -0.23 0.00 0.02 0.00 0.00 61.00 63.86 2gia s PRO 30 Cb -0.12 -3.03 0.05 0.00 0.02 0.00 0.00 34.50 31.42 2gia s PRO 30 CO 0.20 -0.44 0.72 -1.59 -0.33 0.00 0.00 177.00 175.56 2gia s LYS 31 N -1.45 1.44 0.09 5.54 -2.85 -1.26 -2.25 119.74 119.00 2gia s LYS 31 Ca 0.55 -0.70 0.02 0.00 -1.00 0.00 0.00 55.97 54.84 2gia s LYS 31 Cb -0.44 0.56 -0.04 0.00 -2.06 0.00 0.00 37.83 35.85 2gia s LYS 31 CO 0.54 -0.65 -0.07 -0.59 0.10 0.00 0.00 175.35 174.68 2gia s PHE 32 N -3.70 0.90 0.02 1.78 -0.71 -0.27 -5.00 117.98 111.00 2gia s PHE 32 Ca 0.07 -0.79 0.02 0.00 -1.04 0.00 0.00 56.93 55.19 2gia s PHE 32 Cb -0.03 -0.51 -0.01 0.00 -1.21 0.00 0.00 43.02 41.25 2gia s PHE 32 CO -0.02 -0.10 -0.06 -1.21 -1.34 0.00 0.00 175.22 172.48 2gia s GLU 33 N -3.27 0.46 -0.25 1.99 2.02 -1.26 -1.43 118.70 116.97 2gia s GLU 33 Ca 0.07 -0.49 0.00 0.00 0.02 0.00 0.00 54.97 54.58 2gia s GLU 33 Cb 0.01 -0.32 0.04 0.00 0.10 0.00 0.00 34.13 33.96 2gia s GLU 33 CO -0.03 0.07 -0.10 0.42 0.02 0.00 0.00 175.26 175.65 2gia s ILE 34 N -0.81 2.49 -0.38 -1.63 1.01 0.48 -4.96 121.20 117.40 2gia s ILE 34 Ca -0.05 -1.28 -0.16 0.00 0.00 0.00 0.00 60.65 59.16 2gia s ILE 34 Cb -0.06 -2.32 0.00 0.00 0.01 0.00 0.00 42.46 40.09 2gia s ILE 34 CO 0.00 0.14 0.40 -1.00 0.00 0.00 0.00 174.94 174.48 2gia s HIS 35 N 1.23 3.19 -0.67 3.97 3.76 -1.26 -0.40 115.29 125.11 2gia s HIS 35 Ca -0.03 -0.17 0.05 0.00 -0.15 0.00 0.00 55.06 54.76 2gia s HIS 35 Cb -0.18 -2.78 0.19 0.00 1.11 0.00 0.00 32.58 30.92 2gia s HIS 35 CO -0.06 -0.56 0.54 -3.47 -0.85 0.00 0.00 174.74 170.35 2gia n ASP 36 N 5.50 2.92 -4.71 1.40 4.64 0.80 -5.01 116.55 122.08 2gia n ASP 36 Ca -0.08 -3.20 -0.42 0.00 -1.38 0.00 0.00 54.79 49.71 2gia n ASP 36 Cb 0.48 -0.72 -0.03 0.00 -1.04 0.00 0.00 41.12 39.81 2gia n ASP 36 CO 0.00 0.00 0.00 -0.69 -0.82 0.00 0.00 177.20 175.69 2gia s VAL 37 N -1.60 4.89 0.44 5.18 1.01 -1.26 -1.39 120.40 127.67 2gia s VAL 37 Ca 0.29 1.94 0.06 0.00 0.00 0.00 0.00 61.98 64.27 2gia s VAL 37 Cb 0.01 -4.26 -0.05 0.00 0.00 0.00 0.00 36.38 32.08 2gia s VAL 37 CO -0.14 0.16 0.12 -0.13 0.00 0.00 0.00 175.10 175.11 2gia s ARG 38 N 1.11 2.15 -0.09 2.72 1.81 -1.26 -4.99 118.95 120.40 2gia s ARG 38 Ca 0.49 -2.02 -0.20 0.00 -1.72 0.00 0.00 55.73 52.28 2gia s ARG 38 Cb -0.20 -1.82 -0.16 0.00 -0.45 0.00 0.00 34.95 32.32 2gia s ARG 38 CO 0.25 -0.18 0.69 -0.44 -0.68 0.00 0.00 175.30 174.94 2gia h ASP 39 N 1.46 -0.09 -1.28 0.23 3.32 -1.98 -3.36 116.42 114.71 2gia h ASP 39 Ca -0.43 -0.48 -0.62 0.00 0.02 0.00 0.00 57.03 55.52 2gia h ASP 39 Cb 1.26 0.02 -0.11 0.00 0.22 0.00 0.00 39.33 40.73 2gia h ASP 39 CO 0.73 0.59 1.46 -0.62 -1.72 0.00 0.00 179.24 179.67 2gia s ASP 40 N -5.72 6.55 0.61 6.45 2.15 -1.26 -4.67 116.67 120.78 2gia s ASP 40 Ca -0.12 -1.63 0.25 0.00 0.43 0.00 0.00 52.55 51.48 2gia s ASP 40 Cb -0.01 -2.54 0.98 0.00 -0.30 0.00 0.00 42.92 41.05 2gia s ASP 40 CO 0.46 -1.41 1.43 1.55 -0.17 0.00 0.00 175.17 177.02 2gia h PRO 41 N 9.47 0.00 -0.16 4.34 0.13 -1.84 0.24 132.00 144.18 2gia h PRO 41 Ca 0.21 0.00 0.05 0.00 -0.87 0.00 0.00 66.00 65.39 2gia h PRO 41 Cb 1.00 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.12 2gia h PRO 41 CO 1.39 0.00 0.18 0.00 -0.23 0.00 0.00 178.00 179.33 2gia h ALA 42 N 0.71 1.76 -0.19 -0.56 0.00 -1.90 -2.08 119.26 117.00 2gia h ALA 42 Ca 0.37 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.27 2gia h ALA 42 Cb 2.38 0.01 0.00 0.00 0.00 0.00 0.00 17.79 20.19 2gia h ALA 42 CO -0.00 -0.26 0.00 0.39 0.00 0.00 0.00 179.25 179.38 2gia n GLU 43 N -3.79 1.74 -3.07 0.00 1.02 0.84 -4.95 120.64 112.42 2gia n GLU 43 Ca 0.01 -1.68 -0.35 0.00 -0.02 0.00 0.00 57.16 55.11 2gia n GLU 43 Cb 0.30 -1.29 -0.06 0.00 -0.02 0.00 0.00 31.44 30.37 2gia n GLU 43 CO 0.00 0.00 0.00 0.20 1.18 0.00 0.00 177.13 178.51 2gia s GLY 44 N -1.07 2.56 0.11 0.62 0.00 -0.78 -4.87 107.32 103.89 2gia s GLY 44 Ca 0.21 0.17 -0.13 0.00 0.00 0.00 0.00 44.72 44.97 2gia s GLY 44 CO 0.18 0.50 0.32 -0.51 0.00 0.00 0.00 173.10 173.60 2gia s THR 45 N -1.65 0.10 -0.14 0.90 -4.23 -0.48 -1.15 115.64 108.98 2gia s THR 45 Ca 0.46 -0.79 0.00 0.00 -1.18 0.00 0.00 61.69 60.18 2gia s THR 45 Cb -0.15 -1.23 0.02 0.00 1.34 0.00 0.00 72.50 72.48 2gia s THR 45 CO 0.20 -0.44 -0.13 -0.32 -0.54 0.00 0.00 174.62 173.40 2gia s MET 46 N -3.82 2.14 -0.11 3.99 1.75 -0.32 -0.14 119.30 122.78 2gia s MET 46 Ca 0.04 -0.50 -0.02 0.00 -1.25 0.00 0.00 55.69 53.95 2gia s MET 46 Cb 0.03 -2.01 -0.03 0.00 2.84 0.00 0.00 34.83 35.66 2gia s MET 46 CO -0.12 -0.25 -0.04 0.99 -0.65 0.00 0.00 175.02 174.96 2gia s THR 47 N 1.53 3.95 -0.04 10.11 2.01 0.46 -0.78 115.64 132.88 2gia s THR 47 Ca 0.05 -0.36 0.05 0.00 0.31 0.00 0.00 61.69 61.74 2gia s THR 47 Cb -0.13 -2.68 -0.01 0.00 0.01 0.00 0.00 72.50 69.70 2gia s THR 47 CO -0.10 0.56 -0.20 -0.60 -0.69 0.00 0.00 174.62 173.58 2gia s ARG 48 N -0.36 1.97 -0.14 4.92 3.52 0.56 -0.39 118.95 129.03 2gia s ARG 48 Ca 0.06 -0.73 0.00 0.00 -0.13 0.00 0.00 55.73 54.93 2gia s ARG 48 Cb -0.12 -1.75 0.02 0.00 -1.56 0.00 0.00 34.95 31.54 2gia s ARG 48 CO 0.02 0.34 -0.14 0.08 -0.81 0.00 0.00 175.30 174.80 2gia s VAL 49 N -0.17 1.52 0.20 7.11 1.01 -0.52 -0.86 120.40 128.69 2gia s VAL 49 Ca -0.00 -0.60 0.02 0.00 0.00 0.00 0.00 61.98 61.39 2gia s VAL 49 Cb -0.11 -1.43 -0.05 0.00 0.00 0.00 0.00 36.38 34.79 2gia s VAL 49 CO 0.02 0.45 0.03 0.00 0.00 0.00 0.00 175.10 175.59 2gia s ALA 50 N 1.48 1.46 -0.03 5.51 0.00 -0.35 -1.11 121.76 128.73 2gia s ALA 50 Ca 0.04 -1.67 -0.01 0.00 0.00 0.00 0.00 51.96 50.32 2gia s ALA 50 Cb -0.13 0.67 0.02 0.00 0.00 0.00 0.00 23.12 23.68 2gia s ALA 50 CO -0.10 -0.35 0.06 0.54 0.00 0.00 0.00 175.76 175.91 2gia s VAL 51 N -3.68 -0.03 -0.52 0.00 0.11 -0.95 -0.72 120.40 114.62 2gia s VAL 51 Ca 0.28 0.10 0.03 0.00 -2.93 0.00 0.00 61.98 59.45 2gia s VAL 51 Cb 0.06 -0.11 0.13 0.00 -1.53 0.00 0.00 36.38 34.94 2gia s VAL 51 CO 0.07 0.04 0.27 -0.62 -3.33 0.00 0.00 175.10 171.53 2gia s ASP 52 N 0.54 4.49 1.30 3.54 -1.08 -0.08 -4.04 116.67 121.35 2gia s ASP 52 Ca -0.04 -2.92 0.00 0.00 -0.52 0.00 0.00 52.55 49.07 2gia s ASP 52 Cb -0.06 -1.67 0.00 0.00 -1.46 0.00 0.00 42.92 39.73 2gia s ASP 52 CO -0.02 -0.27 0.00 0.61 0.52 0.00 0.00 175.17 176.02 2gia n GLY 53 N 3.26 1.35 0.01 2.66 0.00 -1.26 -2.12 105.19 109.10 2gia n GLY 53 Ca 0.05 0.18 0.11 0.00 0.00 0.00 0.00 46.02 46.36 2gia n GLY 53 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2gia n LYS 54 N 0.00 0.09 -3.78 1.61 5.02 -1.26 -4.44 118.16 115.40 2gia n LYS 54 Ca 0.00 0.01 -0.37 0.00 -2.02 0.00 0.00 58.31 55.93 2gia n LYS 54 Cb 0.00 -1.54 -0.13 0.00 -0.02 0.00 0.00 35.03 33.34 2gia n LYS 54 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 2gia s LEU 55 N -3.33 3.53 0.13 -0.35 1.43 -0.90 -3.57 118.68 115.63 2gia s LEU 55 Ca 0.08 -0.46 -0.30 0.00 -1.03 0.00 0.00 54.13 52.42 2gia s LEU 55 Cb 0.16 -1.87 -0.06 0.00 0.03 0.00 0.00 46.19 44.45 2gia s LEU 55 CO 0.75 -0.10 1.00 -0.76 0.23 0.00 0.00 176.35 177.47 2gia s LEU 56 N 1.54 4.50 -0.24 1.79 1.43 -1.25 -0.90 118.68 125.54 2gia s LEU 56 Ca 0.05 1.87 0.02 0.00 -1.03 0.00 0.00 54.13 55.03 2gia s LEU 56 Cb -0.16 -3.59 0.05 0.00 0.03 0.00 0.00 46.19 42.52 2gia s LEU 56 CO 0.02 -0.11 -0.12 -0.76 0.23 0.00 0.00 176.35 175.61 2gia s LEU 57 N -0.08 3.16 -0.22 1.79 1.43 0.11 -0.87 118.68 124.01 2gia s LEU 57 Ca 0.48 -1.17 -0.04 0.00 -1.03 0.00 0.00 54.13 52.36 2gia s LEU 57 Cb -0.25 -1.56 -0.01 0.00 0.03 0.00 0.00 46.19 44.40 2gia s LEU 57 CO 0.31 -0.15 -0.02 -0.63 0.23 0.00 0.00 176.35 176.09 2gia s ILE 58 N 1.17 3.62 0.16 -0.59 1.01 -0.47 -1.21 121.20 124.90 2gia s ILE 58 Ca -0.05 -0.41 0.04 0.00 0.00 0.00 0.00 60.65 60.23 2gia s ILE 58 Cb -0.18 -2.65 -0.05 0.00 0.01 0.00 0.00 42.46 39.59 2gia s ILE 58 CO -0.06 0.42 -0.08 -0.94 0.00 0.00 0.00 174.94 174.27 2gia s SER 59 N 1.35 1.71 -0.11 3.58 1.04 -0.04 -1.13 113.70 120.09 2gia s SER 59 Ca 0.04 -1.05 -0.08 0.00 0.48 0.00 0.00 55.95 55.34 2gia s SER 59 Cb -0.14 0.01 0.04 0.00 0.10 0.00 0.00 66.02 66.02 2gia s SER 59 CO -0.01 -0.38 0.28 -1.58 0.98 0.00 0.00 173.24 172.53 2gia s GLN 60 N -3.78 0.30 -0.17 4.02 0.74 -0.47 -0.32 119.66 119.97 2gia s GLN 60 Ca 0.18 0.48 -0.00 0.00 0.05 0.00 0.00 55.36 56.07 2gia s GLN 60 Cb 0.03 0.05 0.01 0.00 1.10 0.00 0.00 33.01 34.20 2gia s GLN 60 CO 0.01 -0.09 -0.16 0.71 -0.55 0.00 0.00 175.29 175.22 2gia s TYR 61 N 0.65 2.80 0.48 1.67 2.02 0.04 -1.03 117.35 123.99 2gia s TYR 61 Ca -0.04 -1.27 -0.22 0.00 -0.37 0.00 0.00 57.07 55.17 2gia s TYR 61 Cb -0.05 -1.93 -0.07 0.00 -0.40 0.00 0.00 41.96 39.50 2gia s TYR 61 CO -0.04 -0.62 1.16 -2.14 -1.57 0.00 0.00 175.55 172.34 2gia s PRO 62 N 1.11 3.63 0.45 -1.71 0.02 -1.26 -1.18 135.00 136.06 2gia s PRO 62 Ca 0.00 1.74 -0.25 0.00 0.02 0.00 0.00 61.00 62.52 2gia s PRO 62 Cb -0.14 -2.29 -0.08 0.00 0.02 0.00 0.00 34.50 32.00 2gia s PRO 62 CO -0.05 -0.65 1.40 -1.14 -0.33 0.00 0.00 177.00 176.23 2gia s GLN 63 N -2.86 3.70 -0.32 5.54 0.74 -0.30 -0.19 119.66 125.97 2gia s GLN 63 Ca 0.66 2.37 -0.01 0.00 0.05 0.00 0.00 55.36 58.43 2gia s GLN 63 Cb -0.28 -2.65 0.07 0.00 1.10 0.00 0.00 33.01 31.25 2gia s GLN 63 CO 0.33 -0.79 0.03 -1.17 -0.55 0.00 0.00 175.29 173.14 2gia s LEU 64 N -2.72 4.19 0.06 3.68 2.96 0.35 -4.63 118.68 122.57 2gia s LEU 64 Ca 0.61 -1.54 0.00 0.00 -0.22 0.00 0.00 54.13 52.98 2gia s LEU 64 Cb -0.43 -1.70 0.00 0.00 0.50 0.00 0.00 46.19 44.56 2gia s LEU 64 CO 0.55 -0.32 0.00 0.61 -1.32 0.00 0.00 176.35 175.87 2gia n GLY 65 N 4.55 -1.72 3.59 7.98 0.00 -1.26 -4.65 105.19 113.68 2gia n GLY 65 Ca -0.09 -1.47 -0.32 0.00 0.00 0.00 0.00 46.02 44.14 2gia n GLY 65 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 2gia n PRO 66 N -2.14 -0.38 -1.70 1.61 -0.02 -1.26 -4.70 135.00 126.41 2gia n PRO 66 Ca -0.00 -0.05 -0.44 0.00 -2.02 0.00 0.00 63.50 60.99 2gia n PRO 66 Cb 0.09 -2.21 -0.03 0.00 -0.02 0.00 0.00 33.50 31.33 2gia n PRO 66 CO 0.00 0.00 0.00 -2.13 1.98 0.00 0.00 175.50 175.35 2gia n ARG 67 N -3.38 2.42 -2.25 -0.52 0.63 -1.26 -4.93 116.66 107.37 2gia n ARG 67 Ca 0.10 0.87 -0.34 0.00 -0.92 0.00 0.00 57.85 57.56 2gia n ARG 67 Cb 0.52 -2.64 -0.00 0.00 0.45 0.00 0.00 32.46 30.79 2gia n ARG 67 CO 0.00 0.00 0.00 0.15 -2.51 0.00 0.00 177.63 175.27 2gia s LYS 68 N 0.51 3.41 0.01 -0.14 1.02 -1.26 -4.95 119.74 118.34 2gia s LYS 68 Ca 0.73 1.46 0.00 0.00 0.02 0.00 0.00 55.97 58.19 2gia s LYS 68 Cb -0.59 -2.03 0.00 0.00 -0.52 0.00 0.00 37.83 34.69 2gia s LYS 68 CO 0.40 -0.78 0.00 1.33 -0.92 0.00 0.00 175.35 175.39 2gia n VAL 69 N -1.43 0.03 -1.93 3.17 0.24 -1.26 -5.05 118.33 112.09 2gia n VAL 69 Ca 0.10 0.01 -0.43 0.00 -2.04 0.00 0.00 64.34 61.99 2gia n VAL 69 Cb 0.52 -0.87 -0.03 0.00 -1.47 0.00 0.00 33.84 31.99 2gia n VAL 69 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 2gia s ASP 70 N -5.02 6.21 0.53 -1.34 2.15 -1.26 -4.87 116.67 113.06 2gia s ASP 70 Ca 0.00 1.87 0.35 0.00 0.43 0.00 0.00 52.55 55.20 2gia s ASP 70 Cb 0.00 -2.53 1.89 0.00 -0.30 0.00 0.00 42.92 41.98 2gia s ASP 70 CO 0.00 -1.36 2.08 -0.65 -0.17 0.00 0.00 175.17 175.07 2gia h PRO 71 N 11.56 0.00 0.00 4.34 0.11 -2.05 0.68 132.00 146.64 2gia h PRO 71 Ca -0.38 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.73 2gia h PRO 71 Cb 1.19 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.30 2gia h PRO 71 CO 0.98 0.00 -0.19 -0.97 -0.21 0.00 0.00 178.00 177.61 2gia h ASN 72 N 0.00 0.00 -3.02 -2.05 -1.24 -2.05 -3.43 115.58 103.79 2gia h ASN 72 Ca 0.00 -0.06 -0.55 0.00 0.71 0.00 0.00 56.30 56.40 2gia h ASN 72 Cb 0.04 0.00 -0.07 0.00 0.73 0.00 0.00 38.32 39.03 2gia h ASN 72 CO 0.00 0.03 1.04 -0.62 -1.29 0.00 0.00 177.43 176.59 2gia s ASP 73 N -4.53 6.29 -0.02 1.15 2.15 0.23 -4.86 116.67 117.08 2gia s ASP 73 Ca 0.09 0.23 0.16 0.00 0.43 0.00 0.00 52.55 53.47 2gia s ASP 73 Cb 0.12 -2.55 0.51 0.00 -0.30 0.00 0.00 42.92 40.70 2gia s ASP 73 CO 0.64 -1.59 1.41 0.18 -0.17 0.00 0.00 175.17 175.64 2gia n LEU 74 N 9.00 3.17 -4.77 -1.34 4.77 -1.26 -4.95 117.00 121.61 2gia n LEU 74 Ca 0.11 -1.59 -0.31 0.00 -0.03 0.00 0.00 56.01 54.19 2gia n LEU 74 Cb 0.49 -0.40 0.09 0.00 -2.33 0.00 0.00 43.42 41.26 2gia n LEU 74 CO 0.71 0.72 0.70 -0.94 -1.33 0.00 0.00 177.39 177.25 2gia s SER 75 N -0.95 4.61 0.29 -1.43 1.04 -1.26 -4.98 113.70 111.02 2gia s SER 75 Ca 0.38 1.80 -0.23 0.00 0.48 0.00 0.00 55.95 58.38 2gia s SER 75 Cb 0.21 -2.52 -0.09 0.00 0.10 0.00 0.00 66.02 63.72 2gia s SER 75 CO 0.24 -1.96 0.86 -2.16 0.98 0.00 0.00 173.24 171.19 2gia s PRO 76 N -4.91 4.43 0.37 4.02 0.04 -1.26 -4.94 135.00 132.75 2gia s PRO 76 Ca 0.61 1.13 0.20 0.00 0.04 0.00 0.00 61.00 62.98 2gia s PRO 76 Cb -0.17 -2.79 0.42 0.00 0.04 0.00 0.00 34.50 32.00 2gia s PRO 76 CO 0.56 0.30 1.61 0.37 0.04 0.00 0.00 177.00 179.88 2gia h GLN 77 N 3.18 0.00 -5.82 4.56 5.75 -1.94 -3.44 115.11 117.40 2gia h GLN 77 Ca -0.47 0.00 -0.52 0.00 -0.15 0.00 0.00 58.65 57.51 2gia h GLN 77 Cb 1.19 0.00 -0.14 0.00 1.07 0.00 0.00 27.48 29.60 2gia h GLN 77 CO 0.65 0.31 -0.74 -0.06 -2.65 0.00 0.00 178.83 176.34 2gia s PHE 78 N -3.24 1.96 -0.54 3.99 0.08 -1.26 -0.49 117.98 118.47 2gia s PHE 78 Ca 0.03 -0.49 -0.14 0.00 0.12 0.00 0.00 56.93 56.46 2gia s PHE 78 Cb 0.08 -0.90 0.13 0.00 -0.57 0.00 0.00 43.02 41.77 2gia s PHE 78 CO 0.69 0.50 0.47 0.34 -0.10 0.00 0.00 175.22 177.12 2gia s ASP 79 N -3.40 6.06 0.42 1.36 2.15 0.73 -4.68 116.67 119.30 2gia s ASP 79 Ca 0.26 -1.91 0.11 0.00 0.43 0.00 0.00 52.55 51.45 2gia s ASP 79 Cb -0.02 -2.14 0.89 0.00 -0.30 0.00 0.00 42.92 41.34 2gia s ASP 79 CO 0.10 -0.78 1.97 0.00 -0.17 0.00 0.00 175.17 176.29 2gia h ALA 80 N 8.65 1.61 0.00 3.66 0.00 -1.97 -2.36 119.26 128.86 2gia h ALA 80 Ca -0.24 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.50 2gia h ALA 80 Cb 1.09 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.81 2gia h ALA 80 CO 0.96 0.28 0.00 -0.25 0.00 0.00 0.00 179.25 180.24 2gia n ASP 81 N -4.32 0.34 -0.25 0.00 8.00 -1.26 -2.10 116.55 116.94 2gia n ASP 81 Ca -0.01 0.59 0.09 0.00 0.71 0.00 0.00 54.79 56.16 2gia n ASP 81 Cb 0.23 -0.66 0.16 0.00 -0.02 0.00 0.00 41.12 40.84 2gia n ASP 81 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 2gia n ARG 82 N -1.87 1.50 -1.74 -1.24 1.74 -0.90 -4.71 116.66 109.43 2gia n ARG 82 Ca 0.03 -2.73 -0.32 0.00 -0.77 0.00 0.00 57.85 54.06 2gia n ARG 82 Cb 0.19 -1.56 0.04 0.00 -1.02 0.00 0.00 32.46 30.11 2gia n ARG 82 CO 0.00 0.00 0.00 -0.98 -1.52 0.00 0.00 177.63 175.13 2gia s ARG 83 N -2.94 2.99 -0.08 5.56 1.70 -0.89 -4.59 118.95 120.69 2gia s ARG 83 Ca 0.34 1.13 -0.02 0.00 -0.47 0.00 0.00 55.73 56.72 2gia s ARG 83 Cb 0.30 -1.99 -0.03 0.00 -0.57 0.00 0.00 34.95 32.66 2gia s ARG 83 CO 0.02 -1.07 -0.00 0.42 -1.08 0.00 0.00 175.30 173.59 2gia s ILE 84 N -2.71 4.27 -0.22 4.99 1.01 -0.19 -0.54 121.20 127.81 2gia s ILE 84 Ca 0.62 -0.27 -0.04 0.00 0.00 0.00 0.00 60.65 60.95 2gia s ILE 84 Cb -0.16 -2.79 0.12 0.00 0.01 0.00 0.00 42.46 39.63 2gia s ILE 84 CO 0.46 0.60 0.39 -0.55 0.00 0.00 0.00 174.94 175.84 2gia s SER 85 N -0.90 0.04 0.06 3.58 0.15 -1.26 -1.37 113.70 114.00 2gia s SER 85 Ca 0.13 0.53 0.09 0.00 0.70 0.00 0.00 55.95 57.40 2gia s SER 85 Cb -0.11 1.20 -0.03 0.00 -1.71 0.00 0.00 66.02 65.37 2gia s SER 85 CO 0.02 -0.27 -0.25 0.68 1.20 0.00 0.00 173.24 174.62 2gia s VAL 86 N 2.57 2.04 -0.12 4.45 -7.23 -0.29 -5.00 120.40 116.82 2gia s VAL 86 Ca 0.07 -1.41 0.01 0.00 -1.81 0.00 0.00 61.98 58.84 2gia s VAL 86 Cb -0.14 -1.76 -0.01 0.00 0.56 0.00 0.00 36.38 35.03 2gia s VAL 86 CO -0.14 0.27 -0.17 -0.60 -0.31 0.00 0.00 175.10 174.15 2gia s ARG 87 N -1.38 3.25 0.32 4.82 3.52 -1.26 -1.37 118.95 126.85 2gia s ARG 87 Ca 0.11 -0.76 0.07 0.00 -0.13 0.00 0.00 55.73 55.02 2gia s ARG 87 Cb -0.10 -2.52 -0.03 0.00 -1.56 0.00 0.00 34.95 30.75 2gia s ARG 87 CO 0.03 0.18 0.31 -0.51 -0.81 0.00 0.00 175.30 174.49 2gia s LEU 88 N 0.41 3.72 0.57 -0.88 1.43 -0.05 -5.00 118.68 118.88 2gia s LEU 88 Ca -0.13 -0.39 -0.02 0.00 -1.03 0.00 0.00 54.13 52.56 2gia s LEU 88 Cb -0.17 -2.35 0.03 0.00 0.03 0.00 0.00 46.19 43.73 2gia s LEU 88 CO 0.06 -0.31 0.84 -0.13 0.23 0.00 0.00 176.35 177.04 2gia s ARG 89 N -4.00 2.67 0.24 1.70 0.52 -1.26 -3.78 118.95 115.05 2gia s ARG 89 Ca 0.40 -0.41 -0.06 0.00 -0.52 0.00 0.00 55.73 55.15 2gia s ARG 89 Cb -0.07 -2.38 0.30 0.00 0.52 0.00 0.00 34.95 33.32 2gia s ARG 89 CO 0.27 -0.73 1.89 1.25 0.02 0.00 0.00 175.30 178.00 2gia h HIS 90 N -0.07 1.12 0.00 -0.53 -0.00 -1.99 -1.76 115.15 111.92 2gia h HIS 90 Ca -0.44 0.03 -0.08 0.00 -0.00 0.00 0.00 60.37 59.88 2gia h HIS 90 Cb 1.28 -0.37 -0.01 0.00 -0.00 0.00 0.00 27.41 28.31 2gia h HIS 90 CO 0.41 0.64 -0.36 -0.24 -0.00 0.00 0.00 177.93 178.37 2gia h VAL 91 N 1.15 1.17 -0.40 5.26 3.04 -1.94 -2.09 116.25 122.45 2gia h VAL 91 Ca 0.37 -1.27 -0.10 0.00 -1.01 0.00 0.00 66.70 64.70 2gia h VAL 91 Cb 0.02 1.70 -0.02 0.00 -2.01 0.00 0.00 31.29 30.98 2gia h VAL 91 CO -0.13 0.35 -0.16 0.44 -1.01 0.00 0.00 177.57 177.07 2gia h ASP 92 N 0.00 0.73 -0.50 3.17 3.32 -1.70 0.06 116.42 121.50 2gia h ASP 92 Ca -0.00 -0.24 -0.00 0.00 0.02 0.00 0.00 57.03 56.81 2gia h ASP 92 Cb 0.67 -0.20 -0.02 0.00 0.22 0.00 0.00 39.33 40.00 2gia h ASP 92 CO 0.05 0.90 0.30 0.25 -1.72 0.00 0.00 179.24 179.02 2gia h LEU 93 N 0.66 0.60 -0.78 1.55 5.85 -1.09 0.09 115.31 122.19 2gia h LEU 93 Ca 0.10 -0.06 -0.07 0.00 0.84 0.00 0.00 57.88 58.70 2gia h LEU 93 Cb 0.64 -0.15 -0.03 0.00 0.37 0.00 0.00 40.66 41.49 2gia h LEU 93 CO 0.04 0.48 0.17 0.00 -0.34 0.00 0.00 178.44 178.80 2gia h ALA 94 N 1.15 1.00 -0.79 1.25 0.00 -1.08 -1.32 119.26 119.47 2gia h ALA 94 Ca 0.18 -0.24 -0.04 0.00 0.00 0.00 0.00 54.91 54.81 2gia h ALA 94 Cb -0.01 -0.27 -0.04 0.00 0.00 0.00 0.00 17.79 17.48 2gia h ALA 94 CO -0.03 0.65 0.34 1.88 0.00 0.00 0.00 179.25 182.09 2gia h TYR 95 N 1.04 1.18 -0.52 0.00 0.05 -0.67 -0.15 116.97 117.90 2gia h TYR 95 Ca 0.22 -0.08 -0.03 0.00 0.05 0.00 0.00 58.73 58.90 2gia h TYR 95 Cb 0.35 -0.36 -0.02 0.00 1.01 0.00 0.00 36.73 37.71 2gia h TYR 95 CO 0.03 0.88 0.22 -0.07 -1.05 0.00 0.00 178.16 178.16 2gia h LEU 96 N 1.14 0.70 -0.68 3.88 3.38 -0.52 -0.05 115.31 123.17 2gia h LEU 96 Ca 0.27 -0.16 -0.01 0.00 0.09 0.00 0.00 57.88 58.07 2gia h LEU 96 Cb 0.17 -0.18 -0.03 0.00 0.09 0.00 0.00 40.66 40.71 2gia h LEU 96 CO -0.03 0.67 0.39 0.58 0.09 0.00 0.00 178.44 180.14 2gia h VAL 97 N 0.69 1.21 -0.70 1.22 2.07 -1.07 -1.13 116.25 118.54 2gia h VAL 97 Ca 0.17 -0.49 0.08 0.00 0.82 0.00 0.00 66.70 67.28 2gia h VAL 97 Cb 0.18 0.29 -0.04 0.00 -1.52 0.00 0.00 31.29 30.20 2gia h VAL 97 CO -0.02 0.22 0.46 1.23 0.02 0.00 0.00 177.57 179.48 2gia h GLY 98 N 0.93 0.88 1.02 2.17 0.00 0.17 0.23 103.07 108.47 2gia h GLY 98 Ca 0.24 -0.27 -0.12 0.00 0.00 0.00 0.00 47.33 47.18 2gia h GLY 98 CO -0.04 0.19 -0.21 -2.08 0.00 0.00 0.00 176.54 174.39 2gia h VAL 99 N 0.67 1.28 -1.00 4.60 2.07 -0.57 0.17 116.25 123.47 2gia h VAL 99 Ca 0.31 -1.36 0.01 0.00 0.82 0.00 0.00 66.70 66.49 2gia h VAL 99 Cb 0.34 1.33 -0.05 0.00 -1.52 0.00 0.00 31.29 31.39 2gia h VAL 99 CO -0.10 0.45 0.66 0.00 0.02 0.00 0.00 177.57 178.60 2gia n LYS 101 N -4.39 1.12 -2.27 0.00 5.02 -0.04 -4.92 118.16 112.69 2gia n LYS 101 Ca 0.12 -0.18 -0.19 0.00 -2.02 0.00 0.00 58.31 56.05 2gia n LYS 101 Cb 0.02 -1.44 -0.02 0.00 -0.02 0.00 0.00 35.03 33.57 2gia n LYS 101 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 2gia n GLU 102 N -0.73 -1.46 0.18 1.97 1.02 -0.43 -4.88 120.64 116.30 2gia n GLU 102 Ca 0.21 0.93 0.07 0.00 -0.02 0.00 0.00 57.16 58.35 2gia n GLU 102 Cb 0.14 -5.44 0.09 0.00 -0.02 0.00 0.00 31.44 26.22 2gia n GLU 102 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2gia h ARG 103 N 0.00 0.00 -3.73 3.49 3.08 -0.97 -3.45 114.38 112.80 2gia h ARG 103 Ca -0.44 0.00 -0.20 0.00 0.07 0.00 0.00 59.98 59.42 2gia h ARG 103 Cb 1.31 0.00 -0.25 0.00 0.08 0.00 0.00 29.97 31.11 2gia h ARG 103 CO 0.53 0.26 -0.67 0.14 -1.07 0.00 0.00 179.97 179.16 2gia s VAL 104 N -3.08 0.04 0.24 2.04 -7.23 -1.20 -5.01 120.40 106.20 2gia s VAL 104 Ca 0.05 -0.32 -0.03 0.00 -1.81 0.00 0.00 61.98 59.88 2gia s VAL 104 Cb 0.06 -0.15 0.09 0.00 0.56 0.00 0.00 36.38 36.94 2gia s VAL 104 CO 0.71 -0.17 1.71 -0.65 -0.31 0.00 0.00 175.10 176.39 2gia h PRO 105 N 5.53 0.77 -2.58 4.82 0.11 -1.90 -3.36 132.00 135.38 2gia h PRO 105 Ca -0.27 -0.24 0.13 0.00 0.11 0.00 0.00 66.00 65.73 2gia h PRO 105 Cb 1.21 -0.07 -0.06 0.00 0.11 0.00 0.00 31.00 32.18 2gia h PRO 105 CO 0.46 0.84 0.41 -0.98 -0.21 0.00 0.00 178.00 178.51 2gia s ARG 106 N -4.84 1.44 -0.03 1.05 1.70 -1.26 -3.89 118.95 113.12 2gia s ARG 106 Ca -0.09 -0.82 -0.01 0.00 -0.47 0.00 0.00 55.73 54.34 2gia s ARG 106 Cb 0.14 0.48 0.03 0.00 -0.57 0.00 0.00 34.95 35.03 2gia s ARG 106 CO 0.82 -0.66 0.05 -1.58 -1.08 0.00 0.00 175.30 172.85 2gia s HIS 107 N -3.32 -0.01 -0.09 5.89 5.65 -0.54 -4.98 115.29 117.88 2gia s HIS 107 Ca 0.13 0.19 0.00 0.00 0.25 0.00 0.00 55.06 55.63 2gia s HIS 107 Cb -0.03 -0.20 -0.03 0.00 -1.18 0.00 0.00 32.58 31.14 2gia s HIS 107 CO 0.04 -0.10 -0.08 0.50 -0.65 0.00 0.00 174.74 174.45 2gia s ARG 108 N 1.05 2.99 -0.03 2.88 3.52 -1.26 -0.71 118.95 127.39 2gia s ARG 108 Ca -0.09 -0.59 0.05 0.00 -0.13 0.00 0.00 55.73 54.98 2gia s ARG 108 Cb -0.12 -2.63 -0.01 0.00 -1.56 0.00 0.00 34.95 30.63 2gia s ARG 108 CO -0.03 0.50 -0.18 -1.64 -0.81 0.00 0.00 175.30 173.14 2gia s MET 109 N -0.39 1.67 -0.03 5.12 -1.94 0.35 -5.00 119.30 119.09 2gia s MET 109 Ca 0.05 -0.63 -0.00 0.00 -1.71 0.00 0.00 55.69 53.40 2gia s MET 109 Cb -0.12 -1.51 0.03 0.00 2.01 0.00 0.00 34.83 35.24 2gia s MET 109 CO 0.02 0.30 0.02 -1.21 -0.01 0.00 0.00 175.02 174.15 2gia s GLU 110 N -0.14 0.09 0.25 2.03 2.02 -1.26 -0.96 118.70 120.72 2gia s GLU 110 Ca 0.00 0.18 0.04 0.00 0.02 0.00 0.00 54.97 55.22 2gia s GLU 110 Cb -0.10 -0.39 -0.02 0.00 0.10 0.00 0.00 34.13 33.72 2gia s GLU 110 CO 0.01 -0.19 0.16 0.25 0.02 0.00 0.00 175.26 175.51 2gia n THR 111 N 4.38 0.00 0.19 3.63 -2.24 -0.23 -5.00 114.28 115.02 2gia n THR 111 Ca -0.23 -1.66 0.06 0.00 -2.27 0.00 0.00 64.05 59.95 2gia n THR 111 Cb 0.50 0.75 0.37 0.00 -2.10 0.00 0.00 70.33 69.85 2gia n THR 111 CO 0.00 0.00 0.00 0.11 -0.57 0.00 0.00 175.07 174.61 2gia h LYS 112 N 0.00 0.00 0.00 -0.78 1.57 -2.03 -3.20 116.57 112.13 2gia h LYS 112 Ca -0.18 0.00 -0.14 0.00 -1.87 0.00 0.00 60.65 58.46 2gia h LYS 112 Cb 0.83 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 33.12 2gia h LYS 112 CO 0.27 0.35 -0.93 0.00 -0.57 0.00 0.00 179.45 178.57 2gia h ALA 113 N 1.65 0.63 -2.98 3.86 0.00 -1.97 -3.49 119.26 116.96 2gia h ALA 113 Ca -0.00 -0.68 0.05 0.00 0.00 0.00 0.00 54.91 54.28 2gia h ALA 113 Cb 0.83 0.06 -0.06 0.00 0.00 0.00 0.00 17.79 18.62 2gia h ALA 113 CO 0.05 0.83 0.20 1.52 0.00 0.00 0.00 179.25 181.84 2gia s TYR 114 N -2.91 -0.19 -0.14 0.00 1.13 -1.21 -4.23 117.35 109.80 2gia s TYR 114 Ca 0.01 -0.23 -0.03 0.00 -1.41 0.00 0.00 57.07 55.41 2gia s TYR 114 Cb 0.08 0.64 0.05 0.00 -1.10 0.00 0.00 41.96 41.63 2gia s TYR 114 CO 0.78 -1.16 0.05 0.99 -2.51 0.00 0.00 175.55 173.69 2gia s THR 115 N -3.90 0.24 0.02 -3.49 2.01 -0.32 -1.06 115.64 109.13 2gia s THR 115 Ca 0.11 -0.18 0.03 0.00 0.31 0.00 0.00 61.69 61.96 2gia s THR 115 Cb -0.05 -0.69 -0.02 0.00 0.01 0.00 0.00 72.50 71.76 2gia s THR 115 CO 0.04 -0.08 -0.10 -0.76 -0.69 0.00 0.00 174.62 173.04 2gia s LEU 116 N 2.00 2.13 -0.04 4.42 1.43 -0.14 -0.69 118.68 127.79 2gia s LEU 116 Ca 0.02 -0.35 0.06 0.00 -1.03 0.00 0.00 54.13 52.82 2gia s LEU 116 Cb -0.15 -0.40 -0.02 0.00 0.03 0.00 0.00 46.19 45.65 2gia s LEU 116 CO -0.07 -0.01 -0.20 -1.81 0.23 0.00 0.00 176.35 174.49 2gia s ASP 117 N -0.87 3.56 -0.14 2.29 -0.00 0.65 -0.49 116.67 121.67 2gia s ASP 117 Ca -0.01 -0.33 0.01 0.00 -0.00 0.00 0.00 52.55 52.22 2gia s ASP 117 Cb -0.06 -0.62 0.02 0.00 -0.00 0.00 0.00 42.92 42.25 2gia s ASP 117 CO 0.00 0.33 -0.15 0.12 -0.00 0.00 0.00 175.17 175.47 2gia s PHE 118 N -0.65 2.20 0.03 4.23 2.19 0.11 -1.29 117.98 124.79 2gia s PHE 118 Ca 0.10 -1.19 -0.02 0.00 0.33 0.00 0.00 56.93 56.15 2gia s PHE 118 Cb -0.10 -1.59 -0.02 0.00 -1.31 0.00 0.00 43.02 39.99 2gia s PHE 118 CO -0.00 -0.63 0.02 -1.83 1.83 0.00 0.00 175.22 174.61 2gia s GLU 119 N 1.30 0.48 0.02 10.12 -1.05 -0.76 -1.47 118.70 127.33 2gia s GLU 119 Ca 0.01 -0.78 -0.24 0.00 -0.15 0.00 0.00 54.97 53.82 2gia s GLU 119 Cb -0.14 0.18 -0.05 0.00 -0.44 0.00 0.00 34.13 33.68 2gia s GLU 119 CO -0.08 -0.10 0.71 0.21 0.95 0.00 0.00 175.26 176.95 2gia s LYS 120 N -2.37 4.44 0.46 -4.83 2.20 -1.25 -1.12 119.74 117.27 2gia s LYS 120 Ca -0.07 0.95 0.05 0.00 -0.36 0.00 0.00 55.97 56.53 2gia s LYS 120 Cb -0.03 -3.37 0.05 0.00 -1.51 0.00 0.00 37.83 32.97 2gia s LYS 120 CO -0.04 0.28 0.38 -1.13 -0.36 0.00 0.00 175.35 174.48 2gia n SER 121 N 2.90 2.36 0.09 1.43 3.41 0.16 -4.92 113.62 119.05 2gia n SER 121 Ca -0.03 -2.52 -0.03 0.00 -0.26 0.00 0.00 58.87 56.02 2gia n SER 121 Cb 0.51 -0.07 0.18 0.00 -0.26 0.00 0.00 64.21 64.56 2gia n SER 121 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2gia h ALA 122 N 0.63 1.00 0.00 7.33 0.00 -2.01 -3.24 119.26 122.97 2gia h ALA 122 Ca -0.28 -0.47 0.00 0.00 0.00 0.00 0.00 54.91 54.16 2gia h ALA 122 Cb 1.05 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.75 2gia h ALA 122 CO 0.43 0.65 -1.19 1.04 0.00 0.00 0.00 179.25 180.19 2gia n GLN 123 N -3.95 0.29 0.00 0.00 3.00 -1.26 -5.06 117.38 110.40 2gia n GLN 123 Ca -0.02 -0.04 0.00 0.00 -0.01 0.00 0.00 57.00 56.93 2gia n GLN 123 Cb 0.54 -1.56 0.00 0.00 0.00 0.00 0.00 30.24 29.22 2gia n GLN 123 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 2gia n GLY 124 N 1.38 -0.43 3.13 1.08 0.00 -1.23 -1.72 105.19 107.40 2gia n GLY 124 Ca 0.01 0.26 -0.15 0.00 0.00 0.00 0.00 46.02 46.14 2gia n GLY 124 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2gia s TYR 125 N 0.00 0.93 -0.09 1.61 2.02 0.07 0.39 117.35 122.28 2gia s TYR 125 Ca 0.00 -0.55 0.00 0.00 -0.37 0.00 0.00 57.07 56.16 2gia s TYR 125 Cb 0.00 -0.53 0.02 0.00 -0.40 0.00 0.00 41.96 41.05 2gia s TYR 125 CO 0.00 -0.03 -0.09 -1.58 -1.57 0.00 0.00 175.55 172.29 2gia s HIS 126 N -1.72 1.40 -0.17 2.71 5.65 -0.27 -0.61 115.29 122.27 2gia s HIS 126 Ca -0.03 -0.62 -0.01 0.00 0.25 0.00 0.00 55.06 54.65 2gia s HIS 126 Cb -0.07 -1.13 0.00 0.00 -1.18 0.00 0.00 32.58 30.20 2gia s HIS 126 CO 0.01 -0.41 -0.14 -1.17 -0.65 0.00 0.00 174.74 172.37 2gia s LEU 127 N 1.35 2.50 0.19 8.88 2.96 -0.28 -1.83 118.68 132.44 2gia s LEU 127 Ca -0.02 -0.49 -0.21 0.00 -0.22 0.00 0.00 54.13 53.19 2gia s LEU 127 Cb -0.14 -1.58 0.05 0.00 0.50 0.00 0.00 46.19 45.02 2gia s LEU 127 CO -0.04 0.04 0.58 -1.38 -1.32 0.00 0.00 176.35 174.23 2gia s HIS 128 N 1.07 -0.34 -1.31 5.38 -3.43 -0.42 -1.05 115.29 115.19 2gia s HIS 128 Ca -0.00 0.04 0.00 0.00 -0.80 0.00 0.00 55.06 54.30 2gia s HIS 128 Cb -0.15 0.51 0.00 0.00 -1.43 0.00 0.00 32.58 31.52 2gia s HIS 128 CO -0.04 -0.92 0.00 0.41 -2.00 0.00 0.00 174.74 172.19 2gia n GLY 129 N -0.37 -0.10 3.28 -1.38 0.00 -0.36 -0.25 105.19 106.02 2gia n GLY 129 Ca -0.13 -0.84 -0.32 0.00 0.00 0.00 0.00 46.02 44.73 2gia n GLY 129 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2gia s LYS 130 N -2.00 2.89 0.33 1.61 1.02 0.13 -0.59 119.74 123.13 2gia s LYS 130 Ca 0.00 -0.84 0.06 0.00 0.02 0.00 0.00 55.97 55.21 2gia s LYS 130 Cb 0.00 -2.32 -0.03 0.00 -0.52 0.00 0.00 37.83 34.97 2gia s LYS 130 CO 0.00 0.29 0.28 0.14 -0.92 0.00 0.00 175.35 175.15 2gia s VAL 131 N 0.08 0.00 0.02 3.17 -7.23 -0.93 -1.18 120.40 114.33 2gia s VAL 131 Ca -0.10 -1.98 0.01 0.00 -1.81 0.00 0.00 61.98 58.11 2gia s VAL 131 Cb -0.15 -2.51 -0.02 0.00 0.56 0.00 0.00 36.38 34.26 2gia s VAL 131 CO 0.06 0.00 -0.05 -1.38 -0.31 0.00 0.00 175.10 173.42 2gia s HIS 132 N -3.45 0.42 0.97 2.82 -3.43 -1.26 -0.66 115.29 110.70 2gia s HIS 132 Ca 0.40 -0.37 -0.14 0.00 -0.80 0.00 0.00 55.06 54.16 2gia s HIS 132 Cb 0.02 -0.27 0.17 0.00 -1.43 0.00 0.00 32.58 31.08 2gia s HIS 132 CO 0.27 -0.09 1.16 1.03 -2.00 0.00 0.00 174.74 175.10 2gia s ARG 133 N -1.06 0.67 0.41 -0.38 0.52 -1.26 -4.58 118.95 113.27 2gia s ARG 133 Ca -0.08 0.15 -0.26 0.00 -0.52 0.00 0.00 55.73 55.01 2gia s ARG 133 Cb -0.07 -1.80 -0.09 0.00 0.52 0.00 0.00 34.95 33.51 2gia s ARG 133 CO -0.00 -2.49 1.37 0.14 0.02 0.00 0.00 175.30 174.34 2gia s VAL 134 N -3.31 2.37 -1.24 3.52 -7.23 0.30 -2.71 120.40 112.11 2gia s VAL 134 Ca 0.66 0.34 0.00 0.00 -1.81 0.00 0.00 61.98 61.17 2gia s VAL 134 Cb -0.13 -3.20 0.00 0.00 0.56 0.00 0.00 36.38 33.61 2gia s VAL 134 CO 0.54 0.06 0.00 0.00 -0.31 0.00 0.00 175.10 175.39 2gia n ALA 135 N 0.16 -0.35 -3.61 1.32 0.00 -1.26 -4.88 120.51 111.88 2gia n ALA 135 Ca 0.03 0.17 -0.28 0.00 0.00 0.00 0.00 53.44 53.36 2gia n ALA 135 Cb 0.42 -1.37 -0.12 0.00 0.00 0.00 0.00 19.45 18.39 2gia n ALA 135 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 2gia s SER 136 N -2.04 3.11 -0.35 0.00 0.15 -1.10 -5.06 113.70 108.42 2gia s SER 136 Ca 0.00 -2.89 -0.28 0.00 0.70 0.00 0.00 55.95 53.48 2gia s SER 136 Cb 0.00 -0.87 -0.03 0.00 -1.71 0.00 0.00 66.02 63.42 2gia s SER 136 CO 0.00 -0.22 1.92 -1.58 1.20 0.00 0.00 173.24 174.56 2gia s GLN 137 N 0.08 3.16 0.00 5.44 -0.44 -1.26 -4.05 119.66 122.58 2gia s GLN 137 Ca 0.23 1.46 0.00 0.00 -2.50 0.00 0.00 55.36 54.55 2gia s GLN 137 Cb -0.13 -4.27 0.00 0.00 -1.64 0.00 0.00 33.01 26.97 2gia s GLN 137 CO -0.08 -2.07 0.00 -2.13 0.50 0.00 0.00 175.29 171.51 2gia n ARG 138 N 8.60 0.00 -2.06 1.67 0.63 -1.26 -5.10 116.66 119.13 2gia n ARG 138 Ca 0.25 0.00 -0.32 0.00 -0.92 0.00 0.00 57.85 56.85 2gia n ARG 138 Cb 0.47 0.00 0.01 0.00 0.45 0.00 0.00 32.46 33.39 2gia n ARG 138 CO 0.00 0.00 0.00 -1.64 -2.51 0.00 0.00 177.63 173.48 2gia s MET 139 N 0.00 3.38 -0.03 -0.14 -1.94 -1.26 -4.44 119.30 114.86 2gia s MET 139 Ca 0.00 1.15 -0.23 0.00 -1.71 0.00 0.00 55.69 54.90 2gia s MET 139 Cb 0.00 -2.04 0.05 0.00 2.01 0.00 0.00 34.83 34.84 2gia s MET 139 CO 0.00 -0.75 0.50 -1.83 -0.01 0.00 0.00 175.02 172.92 2gia s GLU 140 N -4.15 0.86 0.32 2.03 -1.05 0.17 -4.97 118.70 111.91 2gia s GLU 140 Ca 0.62 0.04 -0.29 0.00 -0.15 0.00 0.00 54.97 55.20 2gia s GLU 140 Cb -0.15 0.40 -0.10 0.00 -0.44 0.00 0.00 34.13 33.84 2gia s GLU 140 CO 0.38 -0.26 1.23 -0.51 0.95 0.00 0.00 175.26 177.05 2gia s ASP 141 N -1.24 6.90 -0.04 0.83 1.11 -1.26 -2.19 116.67 120.78 2gia s ASP 141 Ca -0.12 2.52 -0.10 0.00 0.18 0.00 0.00 52.55 55.03 2gia s ASP 141 Cb -0.03 -2.64 0.02 0.00 1.07 0.00 0.00 42.92 41.34 2gia s ASP 141 CO 0.07 -0.42 0.22 0.86 1.18 0.00 0.00 175.17 177.08 2gia s TRP 142 N -1.17 -0.13 -0.16 4.23 -0.00 0.25 -4.93 118.94 117.02 2gia s TRP 142 Ca 0.48 0.26 -0.15 0.00 -0.00 0.00 0.00 56.10 56.69 2gia s TRP 142 Cb -0.36 0.04 0.04 0.00 -0.00 0.00 0.00 33.47 33.19 2gia s TRP 142 CO 0.48 -0.26 0.43 0.45 -0.00 0.00 0.00 176.95 178.05 2gia s SER 143 N -0.83 -0.45 -0.07 5.86 0.15 -1.26 -1.22 113.70 115.88 2gia s SER 143 Ca -0.09 0.86 -0.07 0.00 0.70 0.00 0.00 55.95 57.35 2gia s SER 143 Cb -0.05 0.88 0.02 0.00 -1.71 0.00 0.00 66.02 65.16 2gia s SER 143 CO 0.02 -0.16 0.19 0.54 1.20 0.00 0.00 173.24 175.03 2gia s VAL 144 N 0.20 0.00 0.13 4.45 0.11 -0.21 -5.01 120.40 120.06 2gia s VAL 144 Ca -0.00 -0.01 0.11 0.00 -2.93 0.00 0.00 61.98 59.15 2gia s VAL 144 Cb -0.03 -0.27 -0.04 0.00 -1.53 0.00 0.00 36.38 34.50 2gia s VAL 144 CO 0.01 -0.00 -0.26 -0.54 -3.33 0.00 0.00 175.10 170.97 2gia s LYS 145 N 0.08 1.44 -0.35 1.54 1.02 -1.26 -1.13 119.74 121.09 2gia s LYS 145 Ca -0.00 -1.34 0.02 0.00 0.02 0.00 0.00 55.97 54.67 2gia s LYS 145 Cb -0.01 -1.92 0.10 0.00 -0.52 0.00 0.00 37.83 35.48 2gia s LYS 145 CO 0.00 0.45 0.09 -0.06 -0.92 0.00 0.00 175.35 174.91 2gia s PHE 146 N -1.09 2.96 0.28 3.18 0.08 0.22 -4.98 117.98 118.63 2gia s PHE 146 Ca 0.15 -2.57 0.11 0.00 0.12 0.00 0.00 56.93 54.73 2gia s PHE 146 Cb -0.10 -2.47 -0.05 0.00 -0.57 0.00 0.00 43.02 39.84 2gia s PHE 146 CO 0.07 -0.90 -0.09 -0.51 -0.10 0.00 0.00 175.22 173.68 2gia s ASP 147 N 1.03 4.11 1.38 1.36 1.01 -1.26 -0.75 116.67 123.55 2gia s ASP 147 Ca 0.11 -0.83 0.00 0.00 0.71 0.00 0.00 52.55 52.54 2gia s ASP 147 Cb -0.19 -0.59 0.00 0.00 1.01 0.00 0.00 42.92 43.15 2gia s ASP 147 CO -0.13 0.01 0.00 0.59 0.21 0.00 0.00 175.17 175.85 2gia n ASN 148 N -0.78 0.00 0.27 0.27 3.02 -0.70 -0.83 115.26 116.52 2gia n ASN 148 Ca -0.06 0.00 0.13 0.00 -0.03 0.00 0.00 54.58 54.62 2gia n ASN 148 Cb 0.60 0.00 0.78 0.00 -0.61 0.00 0.00 39.78 40.55 2gia n ASN 148 CO 0.00 0.00 0.00 1.12 -2.62 0.00 0.00 177.26 175.76 2gia h HIS 149 N 0.00 0.00 0.00 3.10 2.07 -1.96 0.22 115.15 118.58 2gia h HIS 149 Ca 0.00 0.00 -0.09 0.00 -2.85 0.00 0.00 60.37 57.43 2gia h HIS 149 Cb 0.00 0.00 -0.01 0.00 2.57 0.00 0.00 27.41 29.97 2gia h HIS 149 CO 0.00 0.08 -0.41 0.74 -3.07 0.00 0.00 177.93 175.27 2gia h PHE 150 N 0.00 0.00 -0.52 6.12 0.04 -1.32 -0.74 116.94 120.52 2gia h PHE 150 Ca -0.00 0.00 -0.12 0.00 2.80 0.00 0.00 57.97 60.65 2gia h PHE 150 Cb 0.21 0.00 -0.02 0.00 2.20 0.00 0.00 35.95 38.35 2gia h PHE 150 CO 0.00 0.41 -0.13 0.00 -0.60 0.00 0.00 178.31 177.98 2gia h ALA 151 N 1.59 0.72 -0.47 2.45 0.00 -0.42 -1.40 119.26 121.74 2gia h ALA 151 Ca -0.00 -0.36 -0.06 0.00 0.00 0.00 0.00 54.91 54.49 2gia h ALA 151 Cb 0.83 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 18.42 2gia h ALA 151 CO 0.05 0.65 0.07 0.28 0.00 0.00 0.00 179.25 180.31 2gia h VAL 152 N 0.88 1.25 -0.46 0.00 2.07 -1.17 -0.47 116.25 118.35 2gia h VAL 152 Ca 0.13 -0.92 0.04 0.00 0.82 0.00 0.00 66.70 66.77 2gia h VAL 152 Cb 0.71 0.93 -0.04 0.00 -1.52 0.00 0.00 31.29 31.37 2gia h VAL 152 CO 0.05 0.33 0.24 0.74 0.02 0.00 0.00 177.57 178.94 2gia h THR 153 N 0.65 0.97 -0.34 2.57 2.02 -1.00 -1.18 112.91 116.61 2gia h THR 153 Ca 0.14 -0.16 -0.03 0.00 0.77 0.00 0.00 66.41 67.13 2gia h THR 153 Cb 0.40 0.46 -0.01 0.00 -1.74 0.00 0.00 68.15 67.25 2gia h THR 153 CO 0.01 0.09 0.09 0.25 0.37 0.00 0.00 175.52 176.33 2gia h LEU 154 N 0.47 0.50 -0.27 2.58 5.85 -1.01 -1.14 115.31 122.29 2gia h LEU 154 Ca 0.20 -0.22 0.04 0.00 0.84 0.00 0.00 57.88 58.75 2gia h LEU 154 Cb 0.10 -0.13 -0.04 0.00 0.37 0.00 0.00 40.66 40.96 2gia h LEU 154 CO -0.13 0.58 0.01 -0.33 -0.34 0.00 0.00 178.44 178.23 2gia h GLU 155 N 0.39 0.10 -0.65 1.25 5.08 -0.73 0.24 114.58 120.25 2gia h GLU 155 Ca 0.11 -0.01 -0.08 0.00 -1.00 0.00 0.00 59.36 58.38 2gia h GLU 155 Cb 0.27 -0.02 -0.03 0.00 0.50 0.00 0.00 28.75 29.47 2gia h GLU 155 CO -0.00 0.06 0.09 0.45 -1.00 0.00 0.00 179.01 178.61 2gia h HIS 156 N 0.10 1.15 -0.24 4.33 3.86 -1.17 -1.21 115.15 121.97 2gia h HIS 156 Ca 0.13 -0.16 -0.03 0.00 -1.16 0.00 0.00 60.37 59.15 2gia h HIS 156 Cb 0.16 -0.31 -0.01 0.00 1.06 0.00 0.00 27.41 28.31 2gia h HIS 156 CO -0.20 0.97 0.02 0.35 0.86 0.00 0.00 177.93 179.94 2gia h PHE 157 N 1.01 0.43 -0.62 2.45 3.04 -0.67 -1.21 116.94 121.37 2gia h PHE 157 Ca 0.20 -0.07 -0.06 0.00 3.98 0.00 0.00 57.97 62.02 2gia h PHE 157 Cb 0.45 -0.12 -0.03 0.00 2.56 0.00 0.00 35.95 38.82 2gia h PHE 157 CO 0.03 0.55 0.17 -0.07 -2.02 0.00 0.00 178.31 176.96 2gia h LEU 158 N 0.19 0.93 -0.46 0.59 3.38 -0.85 0.95 115.31 120.04 2gia h LEU 158 Ca 0.07 -0.23 -0.05 0.00 0.09 0.00 0.00 57.88 57.77 2gia h LEU 158 Cb 0.36 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.84 2gia h LEU 158 CO 0.01 0.92 0.11 -0.33 0.09 0.00 0.00 178.44 179.23 2gia h GLU 159 N 0.91 0.74 -0.17 1.13 5.08 -1.12 -0.90 114.58 120.24 2gia h GLU 159 Ca 0.20 -0.18 0.02 0.00 -1.00 0.00 0.00 59.36 58.40 2gia h GLU 159 Cb 0.34 -0.10 -0.02 0.00 0.50 0.00 0.00 28.75 29.47 2gia h GLU 159 CO -0.00 0.73 0.05 0.77 -1.00 0.00 0.00 179.01 179.56 2gia h SER 160 N 0.61 0.04 -0.33 1.42 0.02 -1.08 -1.54 113.55 112.70 2gia h SER 160 Ca 0.14 0.02 0.03 0.00 -0.84 0.00 0.00 61.79 61.14 2gia h SER 160 Cb 0.33 0.02 -0.03 0.00 0.14 0.00 0.00 62.40 62.86 2gia h SER 160 CO 0.00 0.05 0.15 0.00 -1.14 0.00 0.00 176.83 175.89 2gia h ALA 161 N 1.11 0.40 -0.53 3.77 0.00 -0.69 -0.88 119.26 122.44 2gia h ALA 161 Ca 0.07 0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.98 2gia h ALA 161 Cb 0.05 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 17.79 2gia h ALA 161 CO -0.08 -0.23 0.24 1.25 0.00 0.00 0.00 179.25 180.42 2gia h LEU 162 N 0.31 0.71 -1.08 0.00 5.85 -1.02 -0.75 115.31 119.33 2gia h LEU 162 Ca 0.14 -0.15 -0.05 0.00 0.84 0.00 0.00 57.88 58.67 2gia h LEU 162 Cb 0.07 -0.18 -0.02 0.00 0.37 0.00 0.00 40.66 40.89 2gia h LEU 162 CO -0.11 0.66 0.11 0.44 -0.34 0.00 0.00 178.44 179.20 2gia h ASP 163 N 0.72 0.71 0.21 1.25 3.32 -0.99 -2.48 116.42 119.16 2gia h ASP 163 Ca 0.18 -0.12 0.00 0.00 0.02 0.00 0.00 57.03 57.11 2gia h ASP 163 Cb 0.15 -0.19 0.00 0.00 0.22 0.00 0.00 39.33 39.51 2gia h ASP 163 CO -0.02 0.71 -0.13 -0.62 -1.72 0.00 0.00 179.24 177.46 2gia n GLU 164 N -4.28 0.98 0.06 3.56 -0.58 -0.36 -4.24 120.64 115.77 2gia n GLU 164 Ca 0.03 -0.48 0.10 0.00 -0.42 0.00 0.00 57.16 56.40 2gia n GLU 164 Cb 0.22 -1.49 0.43 0.00 -0.57 0.00 0.00 31.44 30.03 2gia n GLU 164 CO 0.00 0.00 0.00 -1.13 -0.48 0.00 0.00 177.13 175.52 2gia n SER 165 N -0.60 0.32 0.11 1.62 3.41 -0.31 -3.56 113.62 114.61 2gia n SER 165 Ca 0.15 0.56 0.12 0.00 -0.26 0.00 0.00 58.87 59.44 2gia n SER 165 Cb 0.31 -0.64 0.01 0.00 -0.26 0.00 0.00 64.21 63.63 2gia n SER 165 CO 0.00 0.00 0.00 -0.26 -0.16 0.00 0.00 175.04 174.62 2gia h PHE 166 N 0.00 0.00 0.00 7.33 0.04 -1.76 -3.39 116.94 119.16 2gia h PHE 166 Ca 0.00 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.77 2gia h PHE 166 Cb 0.38 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.53 2gia h PHE 166 CO 0.00 0.00 0.00 0.41 -0.60 0.00 0.00 178.31 178.12 2gia n GLY 167 N 1.18 0.94 0.19 -1.45 0.00 -1.23 -5.01 105.19 99.80 2gia n GLY 167 Ca 0.00 -0.02 -0.06 0.00 0.00 0.00 0.00 46.02 45.94 2gia n GLY 167 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 173.32 174.06 2gia h PHE 168 N 0.00 0.51 -0.37 1.61 0.04 -1.89 -0.78 116.94 116.06 2gia h PHE 168 Ca 0.00 0.02 -0.02 0.00 2.80 0.00 0.00 57.97 60.76 2gia h PHE 168 Cb 0.00 -0.17 -0.02 0.00 2.20 0.00 0.00 35.95 37.97 2gia h PHE 168 CO 0.00 0.30 0.14 -0.09 -0.60 0.00 0.00 178.31 178.06 2gia h ARG 169 N 0.55 0.55 -0.35 1.51 2.43 -1.94 -0.68 114.38 116.45 2gia h ARG 169 Ca 0.18 -0.10 -0.14 0.00 -0.81 0.00 0.00 59.98 59.11 2gia h ARG 169 Cb 0.01 -0.09 -0.01 0.00 -0.42 0.00 0.00 29.97 29.47 2gia h ARG 169 CO -0.08 0.54 -0.34 1.96 -1.51 0.00 0.00 179.97 180.53 2gia h GLN 170 N 0.45 0.84 -0.42 0.20 7.50 -1.95 -1.88 115.11 119.85 2gia h GLN 170 Ca 0.12 -0.45 0.02 0.00 0.50 0.00 0.00 58.65 58.84 2gia h GLN 170 Cb 0.19 0.02 -0.03 0.00 0.05 0.00 0.00 27.48 27.71 2gia h GLN 170 CO -0.01 1.08 0.25 1.25 -1.50 0.00 0.00 178.83 179.91 2gia h HIS 171 N 0.63 0.48 0.00 2.96 2.76 -0.93 -2.62 115.15 118.43 2gia h HIS 171 Ca 0.06 0.01 0.00 0.00 -2.20 0.00 0.00 60.37 58.24 2gia h HIS 171 Cb 0.93 -0.16 0.00 0.00 1.55 0.00 0.00 27.41 29.73 2gia h HIS 171 CO 0.07 0.28 0.00 1.88 -1.30 0.00 0.00 177.93 178.86 2gia h TYR 172 N 0.52 0.00 0.00 5.26 0.05 -1.08 -3.51 116.97 118.20 2gia h TYR 172 Ca 0.16 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.94 2gia h TYR 172 Cb -0.01 0.00 0.00 0.00 1.01 0.00 0.00 36.73 37.73 2gia h TYR 172 CO -0.07 0.00 0.00 0.00 -1.05 0.00 0.00 178.16 177.04