#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1upt s ILE 20 N 0.00 2.49 -0.14 5.15 1.01 -0.02 -1.30 121.20 128.39 1upt s ILE 20 Ca 0.00 -0.91 -0.05 0.00 0.00 0.00 0.00 60.65 59.69 1upt s ILE 20 Cb 0.00 -1.95 -0.03 0.00 0.01 0.00 0.00 42.46 40.49 1upt s ILE 20 CO 0.00 0.57 0.01 -0.76 0.00 0.00 0.00 174.94 174.76 1upt s LEU 21 N -0.27 3.55 -0.32 2.97 1.43 -0.66 -0.84 118.68 124.54 1upt s LEU 21 Ca 0.00 0.03 -0.10 0.00 -1.03 0.00 0.00 54.13 53.04 1upt s LEU 21 Cb -0.13 -1.86 0.00 0.00 0.03 0.00 0.00 46.19 44.24 1upt s LEU 21 CO 0.03 0.23 0.16 -0.63 0.23 0.00 0.00 176.35 176.37 1upt s ILE 22 N -0.01 4.53 0.37 -0.59 1.01 0.85 -0.01 121.20 127.35 1upt s ILE 22 Ca 0.03 -0.56 0.05 0.00 0.00 0.00 0.00 60.65 60.17 1upt s ILE 22 Cb -0.13 -3.37 -0.07 0.00 0.01 0.00 0.00 42.46 38.91 1upt s ILE 22 CO 0.02 -0.01 0.04 -0.76 0.00 0.00 0.00 174.94 174.23 1upt s LEU 23 N 1.59 2.47 0.00 2.97 1.43 -0.27 -2.38 118.68 124.49 1upt s LEU 23 Ca 0.04 -1.40 0.00 0.00 -1.03 0.00 0.00 54.13 51.74 1upt s LEU 23 Cb -0.18 -0.60 0.00 0.00 0.03 0.00 0.00 46.19 45.44 1upt s LEU 23 CO 0.06 -0.57 0.00 0.61 0.23 0.00 0.00 176.35 176.68 1upt n GLY 24 N -0.84 4.04 3.75 -3.19 0.00 -1.26 -0.52 105.19 107.17 1upt n GLY 24 Ca -0.04 -1.60 -0.31 0.00 0.00 0.00 0.00 46.02 44.07 1upt n GLY 24 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1upt s LEU 25 N 0.00 2.93 0.43 0.99 1.43 -1.26 -4.11 118.68 119.08 1upt s LEU 25 Ca 0.00 1.85 -0.24 0.00 -1.03 0.00 0.00 54.13 54.70 1upt s LEU 25 Cb 0.00 -4.47 -0.10 0.00 0.03 0.00 0.00 46.19 41.65 1upt s LEU 25 CO 0.00 -2.25 1.06 -0.90 0.23 0.00 0.00 176.35 174.48 1upt n ASP 26 N -3.67 1.48 0.00 2.29 5.75 -1.08 -2.25 116.55 119.07 1upt n ASP 26 Ca 0.09 1.03 0.00 0.00 -0.01 0.00 0.00 54.79 55.91 1upt n ASP 26 Cb 0.53 -1.38 0.00 0.00 -1.03 0.00 0.00 41.12 39.24 1upt n ASP 26 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1upt n GLY 27 N 1.12 2.99 0.28 6.12 0.00 -1.26 -4.89 105.19 109.55 1upt n GLY 27 Ca 0.09 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.25 1upt n GLY 27 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1upt h ALA 28 N 0.00 1.36 0.00 4.61 0.00 -1.80 -3.47 119.26 119.96 1upt h ALA 28 Ca 0.00 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.84 1upt h ALA 28 Cb 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.78 1upt h ALA 28 CO 0.00 0.09 0.00 0.41 0.00 0.00 0.00 179.25 179.75 1upt n GLY 29 N -0.92 1.34 0.16 0.00 0.00 -1.26 -4.36 105.19 100.15 1upt n GLY 29 Ca -0.02 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 45.93 1upt n GLY 29 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1upt h LYS 30 N 0.96 -0.03 -0.15 1.61 1.57 -1.90 0.10 116.57 118.73 1upt h LYS 30 Ca 0.00 0.00 -0.21 0.00 -1.87 0.00 0.00 60.65 58.57 1upt h LYS 30 Cb 0.00 0.01 0.01 0.00 0.08 0.00 0.00 32.23 32.32 1upt h LYS 30 CO 0.00 -0.02 -0.74 1.15 -0.57 0.00 0.00 179.45 179.27 1upt h THR 31 N -0.03 1.30 -0.78 -0.16 2.02 -1.96 -1.00 112.91 112.30 1upt h THR 31 Ca 0.15 -1.98 -0.01 0.00 0.77 0.00 0.00 66.41 65.35 1upt h THR 31 Cb 0.26 1.97 -0.04 0.00 -1.74 0.00 0.00 68.15 68.60 1upt h THR 31 CO -0.34 0.62 0.46 0.74 0.37 0.00 0.00 175.52 177.38 1upt h THR 32 N 0.49 1.22 -0.04 3.16 2.02 -1.85 -2.45 112.91 115.46 1upt h THR 32 Ca -0.04 -0.50 -0.00 0.00 0.77 0.00 0.00 66.41 66.64 1upt h THR 32 Cb 1.35 0.15 -0.00 0.00 -1.74 0.00 0.00 68.15 67.90 1upt h THR 32 CO 0.15 0.23 0.02 0.40 0.37 0.00 0.00 175.52 176.69 1upt h ILE 33 N 1.07 1.09 -0.38 3.11 2.04 -0.46 -1.54 117.51 122.43 1upt h ILE 33 Ca 0.28 -0.25 0.08 0.00 1.00 0.00 0.00 64.86 65.97 1upt h ILE 33 Cb -0.03 1.17 -0.09 0.00 -0.74 0.00 0.00 36.82 37.14 1upt h ILE 33 CO -0.05 0.07 -0.27 0.25 0.00 0.00 0.00 178.15 178.15 1upt h LEU 34 N -0.03 -0.90 -0.58 1.44 5.85 -0.84 0.12 115.31 120.37 1upt h LEU 34 Ca 0.02 0.17 -0.07 0.00 0.84 0.00 0.00 57.88 58.83 1upt h LEU 34 Cb 0.09 0.44 -0.01 0.00 0.37 0.00 0.00 40.66 41.55 1upt h LEU 34 CO -0.00 -0.29 -0.35 1.88 -0.34 0.00 0.00 178.44 179.34 1upt h TYR 35 N -0.21 0.00 -0.74 1.25 0.05 -1.47 -1.42 116.97 114.42 1upt h TYR 35 Ca 0.18 0.00 -0.06 0.00 0.05 0.00 0.00 58.73 58.90 1upt h TYR 35 Cb 0.50 0.00 -0.03 0.00 1.01 0.00 0.00 36.73 38.21 1upt h TYR 35 CO -0.48 0.35 0.22 -0.09 -1.05 0.00 0.00 178.16 177.11 1upt h ARG 36 N 0.00 1.16 -0.04 4.88 9.65 -0.31 -0.05 114.38 129.67 1upt h ARG 36 Ca -0.00 -0.25 -0.12 0.00 -1.10 0.00 0.00 59.98 58.50 1upt h ARG 36 Cb 1.04 -0.16 -0.01 0.00 -1.39 0.00 0.00 29.97 29.44 1upt h ARG 36 CO 0.05 0.99 -0.53 -0.07 2.80 0.00 0.00 179.97 183.20 1upt h LEU 37 N 1.10 0.13 0.09 3.80 3.38 -0.53 -0.45 115.31 122.84 1upt h LEU 37 Ca 0.24 -0.07 -0.17 0.00 0.09 0.00 0.00 57.88 57.97 1upt h LEU 37 Cb 0.32 -0.04 0.01 0.00 0.09 0.00 0.00 40.66 41.04 1upt h LEU 37 CO -0.01 0.64 -0.82 -0.61 0.09 0.00 0.00 178.44 177.74 1upt h GLN 38 N 0.09 0.20 0.00 1.13 4.15 -1.09 -3.42 115.11 116.17 1upt h GLN 38 Ca -0.00 -0.34 0.00 0.00 0.77 0.00 0.00 58.65 59.08 1upt h GLN 38 Cb 0.97 0.13 0.00 0.00 0.21 0.00 0.00 27.48 28.79 1upt h GLN 38 CO 0.08 1.16 -0.23 1.33 -1.93 0.00 0.00 178.83 179.24 1upt n VAL 39 N -4.21 1.01 -3.51 2.39 0.24 -0.05 -4.96 118.33 109.25 1upt n VAL 39 Ca -0.17 -1.21 -0.23 0.00 -2.04 0.00 0.00 64.34 60.69 1upt n VAL 39 Cb 0.76 0.11 -0.03 0.00 -1.47 0.00 0.00 33.84 33.20 1upt n VAL 39 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1upt n GLY 40 N -0.77 -0.46 3.15 7.63 0.00 -0.18 -4.92 105.19 109.65 1upt n GLY 40 Ca 0.09 0.05 -0.09 0.00 0.00 0.00 0.00 46.02 46.07 1upt n GLY 40 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1upt s GLU 41 N -6.12 0.70 0.21 1.61 2.12 -1.26 -5.01 118.70 110.95 1upt s GLU 41 Ca 0.43 -0.91 -0.30 0.00 0.36 0.00 0.00 54.97 54.54 1upt s GLU 41 Cb -0.24 0.27 -0.08 0.00 0.26 0.00 0.00 34.13 34.34 1upt s GLU 41 CO 0.52 -0.19 0.96 0.08 -0.54 0.00 0.00 175.26 176.09 1upt s VAL 42 N -3.35 4.12 0.13 3.70 1.01 -1.26 -3.49 120.40 121.26 1upt s VAL 42 Ca 0.01 2.04 0.08 0.00 0.00 0.00 0.00 61.98 64.11 1upt s VAL 42 Cb 0.03 -4.30 -0.04 0.00 0.00 0.00 0.00 36.38 32.07 1upt s VAL 42 CO -0.08 0.44 -0.18 -0.69 0.00 0.00 0.00 175.10 174.59 1upt s VAL 43 N -0.89 1.66 0.22 2.92 1.01 -1.26 -5.07 120.40 118.99 1upt s VAL 43 Ca 0.43 -1.70 -0.30 0.00 0.00 0.00 0.00 61.98 60.41 1upt s VAL 43 Cb -0.26 -1.63 -0.08 0.00 0.00 0.00 0.00 36.38 34.40 1upt s VAL 43 CO 0.32 -0.22 1.04 -0.89 0.00 0.00 0.00 175.10 175.35 1upt s THR 44 N -1.65 3.87 0.24 3.92 2.01 -1.26 -4.91 115.64 117.87 1upt s THR 44 Ca 0.10 1.76 0.08 0.00 0.31 0.00 0.00 61.69 63.94 1upt s THR 44 Cb -0.08 -4.12 -0.05 0.00 0.01 0.00 0.00 72.50 68.26 1upt s THR 44 CO 0.05 0.37 -0.13 0.42 -0.69 0.00 0.00 174.62 174.64 1upt s THR 45 N -0.78 1.85 0.26 -0.82 -4.23 -1.26 -5.09 115.64 105.57 1upt s THR 45 Ca 0.45 -2.22 0.10 0.00 -1.18 0.00 0.00 61.69 58.84 1upt s THR 45 Cb -0.29 -2.21 -0.05 0.00 1.34 0.00 0.00 72.50 71.30 1upt s THR 45 CO 0.35 -0.48 -0.17 0.27 -0.54 0.00 0.00 174.62 174.05 1upt s ILE 46 N -2.90 2.20 0.12 2.99 -4.36 -1.26 -5.10 121.20 112.89 1upt s ILE 46 Ca 0.26 -2.33 -0.36 0.00 -0.26 0.00 0.00 60.65 57.96 1upt s ILE 46 Cb -0.00 -2.23 -0.16 0.00 1.25 0.00 0.00 42.46 41.32 1upt s ILE 46 CO 0.10 -0.45 1.43 -2.65 0.24 0.00 0.00 174.94 173.60 1upt n PRO 47 N -0.55 1.52 -2.77 0.37 -0.02 -1.26 -4.88 135.00 127.42 1upt n PRO 47 Ca -0.06 0.55 -0.43 0.00 -2.02 0.00 0.00 63.50 61.54 1upt n PRO 47 Cb 0.60 -2.24 -0.04 0.00 -0.02 0.00 0.00 33.50 31.81 1upt n PRO 47 CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 1upt s THR 48 N 0.63 4.34 -0.98 3.45 2.01 -1.26 -4.93 115.64 118.89 1upt s THR 48 Ca 0.82 0.64 -0.04 0.00 0.31 0.00 0.00 61.69 63.42 1upt s THR 48 Cb -0.85 -4.54 0.26 0.00 0.01 0.00 0.00 72.50 67.38 1upt s THR 48 CO 0.44 -1.05 1.04 -0.38 -0.69 0.00 0.00 174.62 173.97 1upt n ILE 49 N 6.42 3.94 0.00 1.82 2.08 -1.26 -4.10 119.36 128.26 1upt n ILE 49 Ca 0.05 -5.39 0.00 0.00 0.56 0.00 0.00 62.75 57.98 1upt n ILE 49 Cb 0.48 -2.36 0.00 0.00 -0.75 0.00 0.00 39.64 37.02 1upt n ILE 49 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 1upt n GLY 50 N 2.07 0.52 3.39 7.39 0.00 -1.26 -5.07 105.19 112.24 1upt n GLY 50 Ca 0.24 -0.83 -0.13 0.00 0.00 0.00 0.00 46.02 45.31 1upt n GLY 50 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1upt s PHE 51 N 0.00 -0.43 -0.03 1.61 -0.12 -1.26 -1.88 117.98 115.86 1upt s PHE 51 Ca 0.00 0.33 0.05 0.00 -0.05 0.00 0.00 56.93 57.26 1upt s PHE 51 Cb 0.00 0.41 -0.03 0.00 -0.63 0.00 0.00 43.02 42.78 1upt s PHE 51 CO 0.00 -0.73 -0.17 -0.80 -0.05 0.00 0.00 175.22 173.46 1upt s ASN 52 N -2.41 3.78 -0.04 1.98 -0.87 -0.39 -4.98 114.94 112.01 1upt s ASN 52 Ca -0.01 -0.28 0.02 0.00 -1.57 0.00 0.00 52.86 51.01 1upt s ASN 52 Cb -0.00 -0.70 0.01 0.00 -0.02 0.00 0.00 41.25 40.54 1upt s ASN 52 CO -0.08 0.33 -0.07 0.54 -2.57 0.00 0.00 177.10 175.25 1upt s VAL 53 N -0.73 0.71 0.02 1.60 0.11 -1.26 -0.37 120.40 120.48 1upt s VAL 53 Ca 0.12 -0.27 -0.03 0.00 -2.93 0.00 0.00 61.98 58.87 1upt s VAL 53 Cb -0.10 -0.68 -0.01 0.00 -1.53 0.00 0.00 36.38 34.06 1upt s VAL 53 CO 0.01 0.25 0.04 -1.61 -3.33 0.00 0.00 175.10 170.46 1upt s GLU 54 N 0.58 0.41 -0.09 1.54 0.41 -0.94 -5.01 118.70 115.60 1upt s GLU 54 Ca -0.09 -0.57 -0.13 0.00 -0.41 0.00 0.00 54.97 53.77 1upt s GLU 54 Cb -0.12 0.16 -0.05 0.00 -1.78 0.00 0.00 34.13 32.34 1upt s GLU 54 CO 0.01 -0.08 0.30 0.95 -0.49 0.00 0.00 175.26 175.95 1upt s THR 55 N -1.63 5.25 0.02 3.63 -4.23 -1.26 -1.44 115.64 115.99 1upt s THR 55 Ca -0.14 0.59 0.09 0.00 -1.18 0.00 0.00 61.69 61.04 1upt s THR 55 Cb -0.08 -3.61 -0.03 0.00 1.34 0.00 0.00 72.50 70.12 1upt s THR 55 CO -0.01 0.50 -0.25 -0.69 -0.54 0.00 0.00 174.62 173.63 1upt s VAL 56 N -0.39 2.20 -0.30 2.29 1.01 -0.00 -4.94 120.40 120.26 1upt s VAL 56 Ca 0.19 -1.28 -0.04 0.00 0.00 0.00 0.00 61.98 60.86 1upt s VAL 56 Cb -0.14 -1.84 0.04 0.00 0.00 0.00 0.00 36.38 34.44 1upt s VAL 56 CO 0.07 0.43 0.03 -0.89 0.00 0.00 0.00 175.10 174.74 1upt s THR 57 N -0.76 3.31 -0.06 3.92 2.01 -1.26 -1.35 115.64 121.45 1upt s THR 57 Ca 0.11 -1.19 0.04 0.00 0.31 0.00 0.00 61.69 60.96 1upt s THR 57 Cb -0.10 -2.84 0.00 0.00 0.01 0.00 0.00 72.50 69.57 1upt s THR 57 CO 0.01 -0.07 -0.18 -0.47 -0.69 0.00 0.00 174.62 173.23 1upt s TYR 58 N 1.33 1.87 -1.19 4.92 5.04 -0.41 -4.84 117.35 124.07 1upt s TYR 58 Ca -0.03 -0.63 -0.32 0.00 -2.44 0.00 0.00 57.07 53.65 1upt s TYR 58 Cb -0.19 -1.28 0.04 0.00 0.35 0.00 0.00 41.96 40.88 1upt s TYR 58 CO -0.00 -0.25 0.70 1.63 -1.34 0.00 0.00 175.55 176.29 1upt n LYS 59 N 3.37 -0.40 -3.93 4.97 4.76 -1.26 -1.67 118.16 124.01 1upt n LYS 59 Ca -0.19 0.15 -0.39 0.00 -2.87 0.00 0.00 58.31 55.00 1upt n LYS 59 Cb 0.53 -2.71 0.02 0.00 -1.84 0.00 0.00 35.03 31.03 1upt n LYS 59 CO 0.00 0.00 0.00 0.09 -1.37 0.00 0.00 177.40 176.12 1upt n ASN 60 N -2.23 -4.59 -3.62 4.39 4.13 -1.26 -4.98 115.26 107.10 1upt n ASN 60 Ca -0.11 -1.16 -0.14 0.00 1.68 0.00 0.00 54.58 54.84 1upt n ASN 60 Cb 0.57 -2.08 -0.07 0.00 -1.54 0.00 0.00 39.78 36.66 1upt n ASN 60 CO 0.00 0.00 0.00 -0.22 0.28 0.00 0.00 177.26 177.32 1upt s LEU 61 N -6.75 -0.73 -0.18 3.41 1.98 -0.67 -5.17 118.68 110.57 1upt s LEU 61 Ca 0.39 1.35 -0.04 0.00 -2.89 0.00 0.00 54.13 52.94 1upt s LEU 61 Cb -0.20 2.47 -0.03 0.00 0.66 0.00 0.00 46.19 49.09 1upt s LEU 61 CO 0.93 -0.29 -0.02 -0.54 -1.89 0.00 0.00 176.35 174.54 1upt s LYS 62 N 0.18 3.65 -0.07 1.98 1.02 -1.26 -1.28 119.74 123.96 1upt s LYS 62 Ca -0.01 -0.52 0.05 0.00 0.02 0.00 0.00 55.97 55.51 1upt s LYS 62 Cb -0.04 -2.99 -0.01 0.00 -0.52 0.00 0.00 37.83 34.26 1upt s LYS 62 CO 0.02 0.14 -0.23 -0.06 -0.92 0.00 0.00 175.35 174.30 1upt s PHE 63 N 0.65 2.50 -0.41 3.18 0.08 -0.46 -4.92 117.98 118.60 1upt s PHE 63 Ca -0.01 -0.75 -0.23 0.00 0.12 0.00 0.00 56.93 56.05 1upt s PHE 63 Cb -0.14 -1.64 0.02 0.00 -0.57 0.00 0.00 43.02 40.69 1upt s PHE 63 CO 0.02 -0.24 0.79 -1.14 -0.10 0.00 0.00 175.22 174.56 1upt s GLN 64 N -0.06 3.60 -0.21 0.44 0.74 -1.26 -0.82 119.66 122.08 1upt s GLN 64 Ca -0.06 0.13 -0.05 0.00 0.05 0.00 0.00 55.36 55.42 1upt s GLN 64 Cb -0.15 -3.87 -0.02 0.00 1.10 0.00 0.00 33.01 30.07 1upt s GLN 64 CO 0.05 -0.98 0.00 0.08 -0.55 0.00 0.00 175.29 173.89 1upt s VAL 65 N 3.22 3.87 -0.23 1.34 1.01 -0.52 -0.84 120.40 128.25 1upt s VAL 65 Ca 0.31 -0.33 -0.06 0.00 0.00 0.00 0.00 61.98 61.90 1upt s VAL 65 Cb -0.12 -2.76 -0.02 0.00 0.00 0.00 0.00 36.38 33.47 1upt s VAL 65 CO 0.20 0.41 0.03 0.26 0.00 0.00 0.00 175.10 176.00 1upt s TRP 66 N 1.23 3.05 -0.39 5.22 0.52 -0.02 -2.20 118.94 126.35 1upt s TRP 66 Ca 0.03 -0.52 -0.13 0.00 0.02 0.00 0.00 56.10 55.51 1upt s TRP 66 Cb -0.15 -2.16 0.03 0.00 -1.15 0.00 0.00 33.47 30.04 1upt s TRP 66 CO 0.01 -0.35 0.25 0.34 0.02 0.00 0.00 176.95 177.22 1upt s ASP 67 N 1.37 5.88 -0.13 2.95 2.15 0.50 -0.11 116.67 129.29 1upt s ASP 67 Ca 0.05 -0.97 -0.08 0.00 0.43 0.00 0.00 52.55 51.97 1upt s ASP 67 Cb -0.15 -2.08 -0.04 0.00 -0.30 0.00 0.00 42.92 40.35 1upt s ASP 67 CO 0.02 -0.42 0.15 -0.76 -0.17 0.00 0.00 175.17 173.99 1upt s LEU 68 N 1.60 4.35 0.44 -1.34 1.43 -1.00 -1.27 118.68 122.90 1upt s LEU 68 Ca 0.03 0.43 -0.25 0.00 -1.03 0.00 0.00 54.13 53.31 1upt s LEU 68 Cb -0.19 -2.10 -0.08 0.00 0.03 0.00 0.00 46.19 43.85 1upt s LEU 68 CO 0.08 0.35 1.40 -0.83 0.23 0.00 0.00 176.35 177.58 1upt s GLY 69 N -0.68 2.92 0.00 -3.19 0.00 -0.79 -4.79 107.32 100.79 1upt s GLY 69 Ca 0.14 1.42 0.15 0.00 0.00 0.00 0.00 44.72 46.43 1upt s GLY 69 CO 0.03 2.03 1.09 0.61 0.00 0.00 0.00 173.10 176.86 1upt n GLY 70 N 0.59 0.90 3.62 0.20 0.00 -1.26 -4.42 105.19 104.83 1upt n GLY 70 Ca 0.05 -0.46 -0.39 0.00 0.00 0.00 0.00 46.02 45.22 1upt n GLY 70 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1upt n LEU 71 N 0.85 3.27 -0.27 0.99 4.77 -1.26 -2.65 117.00 122.70 1upt n LEU 71 Ca 0.11 0.90 0.01 0.00 -0.03 0.00 0.00 56.01 57.00 1upt n LEU 71 Cb 0.41 -1.38 0.08 0.00 -2.33 0.00 0.00 43.42 40.20 1upt n LEU 71 CO 0.10 -1.67 0.68 0.74 -1.33 0.00 0.00 177.39 175.91 1upt h THR 72 N 0.96 0.18 0.00 -5.08 2.02 -2.00 -1.73 112.91 107.26 1upt h THR 72 Ca -0.47 0.00 -0.03 0.00 0.77 0.00 0.00 66.41 66.68 1upt h THR 72 Cb 1.35 0.18 -0.00 0.00 -1.74 0.00 0.00 68.15 67.94 1upt h THR 72 CO 0.53 0.00 -0.12 0.77 0.37 0.00 0.00 175.52 177.07 1upt h SER 73 N -0.03 0.00 -0.00 4.18 4.64 -2.00 -3.16 113.55 117.18 1upt h SER 73 Ca 0.35 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.67 1upt h SER 73 Cb 0.58 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.67 1upt h SER 73 CO -0.81 0.12 -0.43 2.30 -0.87 0.00 0.00 176.83 177.15 1upt n ILE 74 N -3.48 0.00 -0.29 0.95 -5.35 -0.77 -4.53 119.36 105.88 1upt n ILE 74 Ca -0.01 -0.29 0.09 0.00 -0.27 0.00 0.00 62.75 62.27 1upt n ILE 74 Cb 0.28 1.06 0.24 0.00 -1.74 0.00 0.00 39.64 39.49 1upt n ILE 74 CO 0.00 0.00 0.00 0.03 -1.76 0.00 0.00 176.55 174.82 1upt h ARG 75 N 0.60 0.52 0.00 6.28 3.08 -1.31 -2.51 114.38 121.04 1upt h ARG 75 Ca 0.00 -0.03 0.00 0.00 0.07 0.00 0.00 59.98 60.02 1upt h ARG 75 Cb 0.34 -0.12 0.00 0.00 0.08 0.00 0.00 29.97 30.27 1upt h ARG 75 CO 0.00 0.34 0.06 -1.35 -1.07 0.00 0.00 179.97 177.95 1upt h PRO 76 N 0.54 0.00 -0.00 0.04 0.11 -1.80 -1.71 132.00 129.18 1upt h PRO 76 Ca 0.48 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.59 1upt h PRO 76 Cb 0.77 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.88 1upt h PRO 76 CO -0.42 0.00 -0.35 0.66 -0.21 0.00 0.00 178.00 177.68 1upt n TYR 77 N -2.49 0.00 -0.25 0.65 4.01 -0.95 -4.28 117.16 113.85 1upt n TYR 77 Ca -0.02 0.00 0.04 0.00 -0.16 0.00 0.00 57.90 57.76 1upt n TYR 77 Cb 0.10 -0.20 0.17 0.00 -0.31 0.00 0.00 39.34 39.10 1upt n TYR 77 CO 0.00 0.00 0.00 -1.49 -0.46 0.00 0.00 176.86 174.91 1upt h TRP 78 N 0.53 0.56 -0.02 -0.72 6.55 -1.44 -2.23 115.95 119.18 1upt h TRP 78 Ca 0.00 0.03 0.01 0.00 0.95 0.00 0.00 58.89 59.88 1upt h TRP 78 Cb 0.49 -0.14 -0.00 0.00 -0.86 0.00 0.00 29.16 28.65 1upt h TRP 78 CO 0.00 0.12 0.02 0.07 -1.05 0.00 0.00 178.44 177.60 1upt h ARG 79 N 0.50 0.00 -0.27 0.49 0.11 -1.81 -1.55 114.38 111.84 1upt h ARG 79 Ca 0.39 0.00 0.08 0.00 0.10 0.00 0.00 59.98 60.55 1upt h ARG 79 Cb 0.53 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 31.60 1upt h ARG 79 CO -0.35 0.00 0.26 0.00 0.10 0.00 0.00 179.97 179.98 1upt n TYR 81 N -3.94 0.54 0.16 0.00 4.01 -0.58 -4.62 117.16 112.72 1upt n TYR 81 Ca 0.04 -0.27 0.03 0.00 -0.16 0.00 0.00 57.90 57.54 1upt n TYR 81 Cb 0.41 0.00 0.16 0.00 -0.31 0.00 0.00 39.34 39.60 1upt n TYR 81 CO 0.00 0.00 0.00 1.88 -0.46 0.00 0.00 176.86 178.28 1upt h TYR 82 N 4.21 0.00 -2.22 -0.72 0.05 -1.59 -3.46 116.97 113.23 1upt h TYR 82 Ca 0.00 0.00 -0.60 0.00 0.05 0.00 0.00 58.73 58.18 1upt h TYR 82 Cb 0.93 0.00 0.06 0.00 1.01 0.00 0.00 36.73 38.73 1upt h TYR 82 CO 0.27 0.47 0.68 0.43 -1.05 0.00 0.00 178.16 178.96 1upt n SER 83 N -3.36 2.70 -3.06 3.88 7.64 -1.26 -2.51 113.62 117.65 1upt n SER 83 Ca 0.01 1.10 -0.17 0.00 1.01 0.00 0.00 58.87 60.82 1upt n SER 83 Cb 0.65 -1.38 0.07 0.00 -1.01 0.00 0.00 64.21 62.54 1upt n SER 83 CO 0.00 0.00 0.00 0.59 -3.01 0.00 0.00 175.04 172.62 1upt n ASN 84 N 2.97 -3.93 -4.63 6.43 3.02 -1.26 -5.00 115.26 112.87 1upt n ASN 84 Ca 0.16 -0.48 -0.37 0.00 -0.03 0.00 0.00 54.58 53.86 1upt n ASN 84 Cb 0.27 -4.33 -0.10 0.00 -0.61 0.00 0.00 39.78 35.01 1upt n ASN 84 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 1upt s THR 85 N -3.28 5.26 -0.06 3.41 2.01 -1.04 -4.63 115.64 117.30 1upt s THR 85 Ca 0.26 0.15 0.01 0.00 0.31 0.00 0.00 61.69 62.42 1upt s THR 85 Cb -0.11 -3.47 -0.25 0.00 0.01 0.00 0.00 72.50 68.68 1upt s THR 85 CO 0.61 0.32 0.62 0.44 -0.69 0.00 0.00 174.62 175.92 1upt h ASP 86 N 7.78 0.25 -5.02 3.53 3.32 -1.56 -3.41 116.42 121.32 1upt h ASP 86 Ca -0.37 -0.49 -0.12 0.00 0.02 0.00 0.00 57.03 56.07 1upt h ASP 86 Cb 1.18 -0.08 -0.19 0.00 0.22 0.00 0.00 39.33 40.45 1upt h ASP 86 CO 0.62 1.43 -0.37 0.00 -1.72 0.00 0.00 179.24 179.20 1upt s ALA 87 N -2.59 -0.51 -0.17 3.45 0.00 -1.18 -1.68 121.76 119.08 1upt s ALA 87 Ca -0.12 -0.03 -0.01 0.00 0.00 0.00 0.00 51.96 51.80 1upt s ALA 87 Cb 0.07 0.17 -0.00 0.00 0.00 0.00 0.00 23.12 23.36 1upt s ALA 87 CO 0.81 -0.29 -0.11 0.08 0.00 0.00 0.00 175.76 176.25 1upt s VAL 88 N -1.83 2.94 -0.37 0.00 1.01 0.27 -1.65 120.40 120.77 1upt s VAL 88 Ca -0.11 -0.66 -0.21 0.00 0.00 0.00 0.00 61.98 61.00 1upt s VAL 88 Cb -0.04 -2.28 0.01 0.00 0.00 0.00 0.00 36.38 34.07 1upt s VAL 88 CO 0.00 0.49 0.65 -0.63 0.00 0.00 0.00 175.10 175.61 1upt s ILE 89 N 0.98 4.87 -0.25 2.22 1.01 0.99 -1.17 121.20 129.84 1upt s ILE 89 Ca -0.01 0.51 -0.08 0.00 0.00 0.00 0.00 60.65 61.07 1upt s ILE 89 Cb -0.15 -4.11 -0.03 0.00 0.01 0.00 0.00 42.46 38.19 1upt s ILE 89 CO -0.01 -0.38 0.08 -0.47 0.00 0.00 0.00 174.94 174.16 1upt s TYR 90 N 2.76 3.10 -0.15 3.97 5.04 0.40 -1.12 117.35 131.35 1upt s TYR 90 Ca 0.24 -0.42 -0.04 0.00 -2.44 0.00 0.00 57.07 54.41 1upt s TYR 90 Cb -0.14 -2.25 -0.03 0.00 0.35 0.00 0.00 41.96 39.88 1upt s TYR 90 CO 0.16 -0.36 0.00 0.08 -1.34 0.00 0.00 175.55 174.09 1upt s VAL 91 N 1.62 4.26 -0.06 3.14 1.01 0.33 0.31 120.40 131.01 1upt s VAL 91 Ca 0.06 -0.24 0.01 0.00 0.00 0.00 0.00 61.98 61.81 1upt s VAL 91 Cb -0.15 -2.87 0.02 0.00 0.00 0.00 0.00 36.38 33.38 1upt s VAL 91 CO 0.04 0.51 -0.05 -0.69 0.00 0.00 0.00 175.10 174.91 1upt s VAL 92 N 0.07 0.64 -0.37 2.92 1.01 -0.07 -4.30 120.40 120.30 1upt s VAL 92 Ca 0.02 -0.14 -0.29 0.00 0.00 0.00 0.00 61.98 61.57 1upt s VAL 92 Cb -0.13 -0.67 -0.01 0.00 0.00 0.00 0.00 36.38 35.57 1upt s VAL 92 CO 0.02 0.26 1.63 -0.62 0.00 0.00 0.00 175.10 176.39 1upt s ASP 93 N 1.18 6.09 0.48 3.32 -1.08 -1.26 -0.46 116.67 124.94 1upt s ASP 93 Ca -0.07 1.10 0.22 0.00 -0.52 0.00 0.00 52.55 53.27 1upt s ASP 93 Cb -0.14 -2.53 1.23 0.00 -1.46 0.00 0.00 42.92 40.02 1upt s ASP 93 CO -0.01 -1.59 2.02 0.28 0.52 0.00 0.00 175.17 176.39 1upt h SER 94 N 11.92 0.00 1.50 -0.34 0.02 -1.52 -2.28 113.55 122.84 1upt h SER 94 Ca -0.31 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.64 1upt h SER 94 Cb 1.14 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.68 1upt h SER 94 CO 1.05 0.16 0.00 0.00 -1.14 0.00 0.00 176.83 176.91 1upt n ASP 96 N -2.37 5.15 0.11 0.00 -0.08 -0.86 -4.77 116.55 113.72 1upt n ASP 96 Ca 0.05 -3.00 -0.01 0.00 -1.51 0.00 0.00 54.79 50.33 1upt n ASP 96 Cb 0.43 -1.57 0.27 0.00 2.34 0.00 0.00 41.12 42.59 1upt n ASP 96 CO 0.00 0.00 0.00 0.03 0.12 0.00 0.00 177.20 177.35 1upt h ARG 97 N 6.88 0.21 -0.09 -0.67 3.08 -1.84 -3.12 114.38 118.83 1upt h ARG 97 Ca 0.35 -0.09 -0.09 0.00 0.07 0.00 0.00 59.98 60.22 1upt h ARG 97 Cb 0.82 -0.01 -0.01 0.00 0.08 0.00 0.00 29.97 30.85 1upt h ARG 97 CO 1.35 0.55 -0.34 -0.44 -1.07 0.00 0.00 179.97 180.02 1upt h ASP 98 N 0.19 0.18 -0.41 7.04 3.32 -1.98 -3.20 116.42 121.55 1upt h ASP 98 Ca 0.02 -0.06 0.00 0.00 0.02 0.00 0.00 57.03 57.01 1upt h ASP 98 Cb 0.72 -0.05 0.00 0.00 0.22 0.00 0.00 39.33 40.22 1upt h ASP 98 CO 0.05 0.52 0.00 0.54 -1.72 0.00 0.00 179.24 178.63 1upt n ARG 99 N -4.10 3.09 0.07 3.56 1.74 -1.18 -4.43 116.66 115.41 1upt n ARG 99 Ca -0.01 -2.49 -0.01 0.00 -0.77 0.00 0.00 57.85 54.56 1upt n ARG 99 Cb 0.41 -1.59 0.27 0.00 -1.02 0.00 0.00 32.46 30.54 1upt n ARG 99 CO 0.00 0.00 0.00 0.97 -1.52 0.00 0.00 177.63 177.08 1upt h ILE 100 N 2.56 1.25 -0.99 0.55 6.09 -1.54 -1.86 117.51 123.57 1upt h ILE 100 Ca 0.00 -1.16 0.06 0.00 -1.37 0.00 0.00 64.86 62.39 1upt h ILE 100 Cb 1.11 1.38 -0.07 0.00 0.47 0.00 0.00 36.82 39.71 1upt h ILE 100 CO 0.12 0.36 0.64 1.23 -3.07 0.00 0.00 178.15 177.43 1upt h GLY 101 N 0.99 1.50 0.94 8.18 0.00 -1.81 -0.27 103.07 112.58 1upt h GLY 101 Ca 0.05 -0.47 -0.04 0.00 0.00 0.00 0.00 47.33 46.86 1upt h GLY 101 CO 0.04 0.35 0.08 -2.22 0.00 0.00 0.00 176.54 174.79 1upt h ILE 102 N 1.17 1.23 -0.73 2.60 1.08 -1.65 -1.63 117.51 119.59 1upt h ILE 102 Ca 0.42 -0.81 -0.01 0.00 -0.39 0.00 0.00 64.86 64.07 1upt h ILE 102 Cb 0.15 1.00 -0.04 0.00 -3.07 0.00 0.00 36.82 34.87 1upt h ILE 102 CO -0.16 0.28 0.41 0.28 -0.69 0.00 0.00 178.15 178.27 1upt h SER 103 N 0.50 0.89 -0.28 1.72 0.02 -0.90 -0.88 113.55 114.63 1upt h SER 103 Ca 0.12 -0.06 -0.10 0.00 -0.84 0.00 0.00 61.79 60.91 1upt h SER 103 Cb 0.33 -0.22 -0.01 0.00 0.14 0.00 0.00 62.40 62.64 1upt h SER 103 CO 0.00 0.70 -0.20 0.50 -1.14 0.00 0.00 176.83 176.70 1upt h LYS 104 N 1.01 0.63 -0.30 3.45 3.64 -0.82 -0.96 116.57 123.21 1upt h LYS 104 Ca 0.26 -0.30 -0.06 0.00 -1.27 0.00 0.00 60.65 59.28 1upt h LYS 104 Cb 0.01 -0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 31.81 1upt h LYS 104 CO -0.04 0.89 -0.06 0.66 -2.27 0.00 0.00 179.45 178.63 1upt h SER 105 N 0.36 0.45 0.08 4.20 4.64 -0.96 -0.29 113.55 122.03 1upt h SER 105 Ca 0.05 -0.10 -0.15 0.00 -0.47 0.00 0.00 61.79 61.13 1upt h SER 105 Cb 0.74 -0.12 -0.01 0.00 -0.31 0.00 0.00 62.40 62.71 1upt h SER 105 CO 0.05 0.56 -0.52 -0.33 -0.87 0.00 0.00 176.83 175.73 1upt h GLU 106 N 0.45 0.48 -0.27 4.77 4.39 -0.98 -2.14 114.58 121.28 1upt h GLU 106 Ca 0.09 -0.29 -0.14 0.00 0.34 0.00 0.00 59.36 59.37 1upt h GLU 106 Cb 0.39 0.03 -0.00 0.00 -0.10 0.00 0.00 28.75 29.07 1upt h GLU 106 CO 0.02 0.88 -0.37 1.25 -1.16 0.00 0.00 179.01 179.64 1upt h LEU 107 N 0.38 0.79 -0.39 1.33 5.85 -0.77 -3.17 115.31 119.32 1upt h LEU 107 Ca 0.01 -0.51 -0.01 0.00 0.84 0.00 0.00 57.88 58.22 1upt h LEU 107 Cb 1.04 -0.22 -0.02 0.00 0.37 0.00 0.00 40.66 41.82 1upt h LEU 107 CO 0.09 1.14 0.20 0.58 -0.34 0.00 0.00 178.44 180.11 1upt h VAL 108 N 0.46 1.16 0.00 1.05 2.07 -1.06 -2.12 116.25 117.81 1upt h VAL 108 Ca 0.03 -0.45 0.00 0.00 0.82 0.00 0.00 66.70 67.10 1upt h VAL 108 Cb 0.96 0.74 0.00 0.00 -1.52 0.00 0.00 31.29 31.47 1upt h VAL 108 CO 0.09 0.17 0.00 0.00 0.02 0.00 0.00 177.57 177.85 1upt n ALA 109 N -2.27 1.10 0.00 1.67 0.00 -0.81 -2.67 120.51 117.54 1upt n ALA 109 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1upt n ALA 109 Cb 0.10 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.55 1upt n ALA 109 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1upt n LEU 111 N 0.50 0.00 0.06 0.00 4.77 -0.80 -3.88 117.00 117.65 1upt n LEU 111 Ca 0.00 0.00 0.13 0.00 -0.03 0.00 0.00 56.01 56.11 1upt n LEU 111 Cb 0.01 0.00 0.48 0.00 -2.33 0.00 0.00 43.42 41.58 1upt n LEU 111 CO 0.00 0.00 0.89 -0.62 -1.33 0.00 0.00 177.39 176.33 1upt n GLU 112 N 0.00 0.16 -2.34 3.23 1.02 -1.09 -4.88 120.64 116.73 1upt n GLU 112 Ca 0.00 0.12 -0.42 0.00 -0.02 0.00 0.00 57.16 56.84 1upt n GLU 112 Cb 0.00 -1.68 -0.03 0.00 -0.02 0.00 0.00 31.44 29.72 1upt n GLU 112 CO 0.00 0.00 0.00 -1.21 1.18 0.00 0.00 177.13 177.10 1upt s GLU 113 N -3.06 4.35 0.38 3.49 0.41 -1.25 -4.92 118.70 118.09 1upt s GLU 113 Ca 0.12 1.84 0.07 0.00 -0.41 0.00 0.00 54.97 56.59 1upt s GLU 113 Cb 0.15 -3.47 0.80 0.00 -1.78 0.00 0.00 34.13 29.83 1upt s GLU 113 CO 0.58 -0.43 1.97 0.93 -0.49 0.00 0.00 175.26 177.82 1upt h GLU 114 N 7.31 0.66 0.00 1.61 4.39 -1.97 -2.03 114.58 124.55 1upt h GLU 114 Ca -0.38 -0.04 -0.02 0.00 0.34 0.00 0.00 59.36 59.26 1upt h GLU 114 Cb 1.19 -0.15 -0.00 0.00 -0.10 0.00 0.00 28.75 29.69 1upt h GLU 114 CO 0.86 0.44 -0.08 0.93 -1.16 0.00 0.00 179.01 180.00 1upt h GLU 115 N 0.68 0.00 -0.62 2.33 5.08 -1.92 -1.73 114.58 118.39 1upt h GLU 115 Ca 0.29 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.65 1upt h GLU 115 Cb 0.25 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.50 1upt h GLU 115 CO -0.09 0.08 0.00 1.28 -1.00 0.00 0.00 179.01 179.28 1upt n LEU 116 N -4.34 3.43 -0.35 1.33 4.77 -0.77 -4.64 117.00 116.43 1upt n LEU 116 Ca -0.03 -1.72 0.10 0.00 -0.03 0.00 0.00 56.01 54.33 1upt n LEU 116 Cb 0.16 -0.43 0.20 0.00 -2.33 0.00 0.00 43.42 41.02 1upt n LEU 116 CO 0.34 0.81 0.71 -1.14 -1.33 0.00 0.00 177.39 176.78 1upt n ARG 117 N 1.26 -0.09 -0.15 3.23 0.63 -0.65 -1.47 116.66 119.43 1upt n ARG 117 Ca 0.21 1.52 0.11 0.00 -0.92 0.00 0.00 57.85 58.77 1upt n ARG 117 Cb 0.56 -2.33 0.18 0.00 0.45 0.00 0.00 32.46 31.31 1upt n ARG 117 CO 0.00 0.00 0.00 1.63 -2.51 0.00 0.00 177.63 176.75 1upt n LYS 118 N -5.56 2.30 -2.28 -0.14 5.02 -1.26 -4.96 118.16 111.27 1upt n LYS 118 Ca 0.19 -2.10 -0.40 0.00 -2.02 0.00 0.00 58.31 53.98 1upt n LYS 118 Cb 0.61 -1.45 -0.03 0.00 -0.02 0.00 0.00 35.03 34.14 1upt n LYS 118 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1upt s ALA 119 N -1.44 3.39 0.23 7.82 0.00 -0.55 -4.98 121.76 126.25 1upt s ALA 119 Ca 0.33 1.07 -0.30 0.00 0.00 0.00 0.00 51.96 53.06 1upt s ALA 119 Cb 0.20 -3.40 -0.09 0.00 0.00 0.00 0.00 23.12 19.83 1upt s ALA 119 CO 0.28 -0.45 1.09 0.42 0.00 0.00 0.00 175.76 177.10 1upt s ILE 120 N -1.21 3.69 -0.24 0.00 -1.09 -0.68 -4.70 121.20 116.97 1upt s ILE 120 Ca 0.49 1.59 -0.01 0.00 -2.23 0.00 0.00 60.65 60.50 1upt s ILE 120 Cb -0.35 -4.01 0.03 0.00 -1.58 0.00 0.00 42.46 36.54 1upt s ILE 120 CO 0.46 0.34 -0.09 -0.22 -1.23 0.00 0.00 174.94 174.19 1upt s LEU 121 N -0.98 3.04 -0.16 2.97 2.96 -0.85 -0.57 118.68 125.09 1upt s LEU 121 Ca 0.46 -0.89 -0.02 0.00 -0.22 0.00 0.00 54.13 53.46 1upt s LEU 121 Cb -0.30 -1.62 -0.02 0.00 0.50 0.00 0.00 46.19 44.75 1upt s LEU 121 CO 0.38 -0.11 -0.09 0.54 -1.32 0.00 0.00 176.35 175.75 1upt s VAL 122 N 1.29 3.34 -0.25 1.68 0.11 -0.32 -2.75 120.40 123.50 1upt s VAL 122 Ca -0.00 -0.54 -0.11 0.00 -2.93 0.00 0.00 61.98 58.40 1upt s VAL 122 Cb -0.16 -2.45 -0.05 0.00 -1.53 0.00 0.00 36.38 32.19 1upt s VAL 122 CO -0.06 0.49 0.17 -0.69 -3.33 0.00 0.00 175.10 171.68 1upt s VAL 123 N 0.64 5.32 -0.42 2.04 1.01 -0.36 -0.45 120.40 128.18 1upt s VAL 123 Ca -0.05 0.17 -0.15 0.00 0.00 0.00 0.00 61.98 61.95 1upt s VAL 123 Cb -0.15 -3.50 0.03 0.00 0.00 0.00 0.00 36.38 32.76 1upt s VAL 123 CO 0.03 0.32 0.33 -0.36 0.00 0.00 0.00 175.10 175.41 1upt s PHE 124 N 1.26 3.23 -1.06 5.22 0.40 0.15 -1.36 117.98 125.82 1upt s PHE 124 Ca 0.07 -0.62 -0.22 0.00 -0.60 0.00 0.00 56.93 55.57 1upt s PHE 124 Cb -0.14 -2.70 0.06 0.00 0.51 0.00 0.00 43.02 40.75 1upt s PHE 124 CO 0.06 -0.63 1.47 0.00 0.70 0.00 0.00 175.22 176.82 1upt s ALA 125 N 1.72 2.88 0.58 5.36 0.00 0.58 -0.89 121.76 131.99 1upt s ALA 125 Ca 0.05 -2.42 -0.02 0.00 0.00 0.00 0.00 51.96 49.57 1upt s ALA 125 Cb -0.20 -4.50 0.03 0.00 0.00 0.00 0.00 23.12 18.46 1upt s ALA 125 CO 0.10 -3.50 0.84 1.21 0.00 0.00 0.00 175.76 174.41 1upt s ASN 126 N 4.71 5.26 -1.18 0.00 2.47 0.39 -1.83 114.94 124.77 1upt s ASN 126 Ca 0.46 0.24 -0.05 0.00 0.42 0.00 0.00 52.86 53.93 1upt s ASN 126 Cb 0.00 -1.13 0.01 0.00 -1.45 0.00 0.00 41.25 38.68 1upt s ASN 126 CO -0.07 -1.20 0.64 0.29 -3.72 0.00 0.00 177.10 173.04 1upt n LYS 127 N -2.49 -4.72 0.06 0.43 5.02 -0.72 -1.39 118.16 114.35 1upt n LYS 127 Ca 0.07 0.70 0.12 0.00 -2.02 0.00 0.00 58.31 57.17 1upt n LYS 127 Cb 0.59 -5.18 0.46 0.00 -0.02 0.00 0.00 35.03 30.88 1upt n LYS 127 CO 0.00 0.00 0.00 1.04 -0.52 0.00 0.00 177.40 177.92 1upt n GLN 128 N -3.59 0.12 -0.08 1.97 1.13 -0.76 -4.68 117.38 111.49 1upt n GLN 128 Ca -0.06 0.23 -0.01 0.00 -1.94 0.00 0.00 57.00 55.22 1upt n GLN 128 Cb 0.58 -1.68 -0.01 0.00 0.11 0.00 0.00 30.24 29.24 1upt n GLN 128 CO 0.00 0.00 0.00 -0.40 -1.44 0.00 0.00 177.06 175.22 1upt n ASP 129 N -1.90 0.45 -0.03 1.08 5.75 -1.26 -4.91 116.55 115.73 1upt n ASP 129 Ca 0.04 -1.65 -0.02 0.00 -0.01 0.00 0.00 54.79 53.16 1upt n ASP 129 Cb 0.29 -0.18 -0.06 0.00 -1.03 0.00 0.00 41.12 40.15 1upt n ASP 129 CO 0.00 0.00 0.00 1.21 -0.11 0.00 0.00 177.20 178.30 1upt n GLU 131 N 3.25 2.37 0.00 0.11 0.00 -1.26 -5.04 120.64 120.07 1upt n GLU 131 Ca 0.04 -0.02 0.10 0.00 0.00 0.00 0.00 57.16 57.28 1upt n GLU 131 Cb 0.06 -1.18 0.57 0.00 0.00 0.00 0.00 31.44 30.90 1upt n GLU 131 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 1upt n GLN 132 N -2.17 0.89 0.00 5.31 0.00 -1.26 -5.12 117.38 115.03 1upt n GLN 132 Ca -0.10 0.00 0.00 0.00 0.00 0.00 0.00 57.00 56.90 1upt n GLN 132 Cb 0.63 -1.34 0.00 0.00 0.00 0.00 0.00 30.24 29.53 1upt n GLN 132 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 1upt n ALA 133 N -0.84 0.00 -2.49 2.61 0.00 -1.26 -4.45 120.51 114.08 1upt n ALA 133 Ca 0.14 0.00 -0.27 0.00 0.00 0.00 0.00 53.44 53.32 1upt n ALA 133 Cb 0.07 0.00 -0.11 0.00 0.00 0.00 0.00 19.45 19.41 1upt n ALA 133 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 1upt s THR 135 N 0.00 2.70 0.36 0.00 -4.23 -1.26 -4.94 115.64 108.27 1upt s THR 135 Ca 0.00 -1.91 0.16 0.00 -1.18 0.00 0.00 61.69 58.75 1upt s THR 135 Cb 0.00 -2.32 0.36 0.00 1.34 0.00 0.00 72.50 71.87 1upt s THR 135 CO 0.00 -0.14 1.71 -1.28 -0.54 0.00 0.00 174.62 174.37 1upt h SER 136 N 3.00 0.52 -0.04 3.99 0.87 -1.98 -2.76 113.55 117.15 1upt h SER 136 Ca -0.46 0.14 -0.01 0.00 -1.23 0.00 0.00 61.79 60.22 1upt h SER 136 Cb 1.21 0.07 -0.00 0.00 -0.44 0.00 0.00 62.40 63.24 1upt h SER 136 CO 0.51 0.00 -0.02 -1.28 -0.53 0.00 0.00 176.83 175.51 1upt h SER 137 N 0.41 0.09 0.00 6.23 0.87 -2.04 -2.08 113.55 117.04 1upt h SER 137 Ca 0.68 -0.42 0.00 0.00 -1.23 0.00 0.00 61.79 60.82 1upt h SER 137 Cb 1.57 -0.03 0.00 0.00 -0.44 0.00 0.00 62.40 63.50 1upt h SER 137 CO -0.46 0.49 0.00 -0.62 -0.53 0.00 0.00 176.83 175.71 1upt n GLU 138 N -4.82 0.00 0.00 2.24 1.02 -1.04 -2.28 120.64 115.76 1upt n GLU 138 Ca -0.08 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.06 1upt n GLU 138 Cb 0.24 -0.90 0.00 0.00 -0.02 0.00 0.00 31.44 30.76 1upt n GLU 138 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1upt n ALA 140 N 0.20 0.00 -0.12 0.62 0.00 -0.78 -0.65 120.51 119.77 1upt n ALA 140 Ca 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 53.44 53.31 1upt n ALA 140 Cb 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.43 1upt n ALA 140 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 177.50 176.59 1upt h ASN 141 N 0.00 0.93 0.37 0.00 2.35 -1.73 -1.26 115.58 116.24 1upt h ASN 141 Ca 0.00 -0.45 -0.10 0.00 -0.55 0.00 0.00 56.30 55.20 1upt h ASN 141 Cb 0.00 -0.26 -0.01 0.00 0.05 0.00 0.00 38.32 38.10 1upt h ASN 141 CO 0.00 1.18 -0.44 0.28 -1.65 0.00 0.00 177.43 176.81 1upt h SER 142 N 0.69 0.09 0.36 5.81 0.02 -1.17 -2.46 113.55 116.89 1upt h SER 142 Ca 0.07 -0.04 0.00 0.00 -0.84 0.00 0.00 61.79 60.98 1upt h SER 142 Cb 0.89 -0.02 0.00 0.00 0.14 0.00 0.00 62.40 63.41 1upt h SER 142 CO 0.08 0.52 -0.19 0.18 -1.14 0.00 0.00 176.83 176.27 1upt n LEU 143 N -4.01 0.65 -0.82 5.07 4.77 -1.15 -4.80 117.00 116.71 1upt n LEU 143 Ca -0.02 -0.07 -0.08 0.00 -0.03 0.00 0.00 56.01 55.81 1upt n LEU 143 Cb 0.47 -0.18 -0.02 0.00 -2.33 0.00 0.00 43.42 41.36 1upt n LEU 143 CO 0.41 0.12 -0.10 0.61 -1.33 0.00 0.00 177.39 177.10 1upt n GLY 144 N 1.33 0.49 0.20 -0.72 0.00 -0.81 -4.87 105.19 100.82 1upt n GLY 144 Ca 0.12 -0.59 -0.13 0.00 0.00 0.00 0.00 46.02 45.42 1upt n GLY 144 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1upt h LEU 145 N 0.00 0.69 -2.40 0.99 3.38 -1.51 -2.79 115.31 113.66 1upt h LEU 145 Ca -0.19 -0.48 -0.00 0.00 0.09 0.00 0.00 57.88 57.30 1upt h LEU 145 Cb 0.87 -0.19 -0.00 0.00 0.09 0.00 0.00 40.66 41.43 1upt h LEU 145 CO 0.24 1.03 -0.01 -0.65 0.09 0.00 0.00 178.44 179.14 1upt h PRO 146 N 0.37 0.00 -0.00 1.13 0.11 -1.94 -1.96 132.00 129.71 1upt h PRO 146 Ca 0.04 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.15 1upt h PRO 146 Cb 0.84 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.95 1upt h PRO 146 CO 0.07 0.01 -0.01 0.00 -0.21 0.00 0.00 178.00 177.86 1upt n ALA 147 N -2.33 2.40 -2.20 -0.75 0.00 -1.06 -4.88 120.51 111.69 1upt n ALA 147 Ca -0.03 -0.12 -0.42 0.00 0.00 0.00 0.00 53.44 52.88 1upt n ALA 147 Cb 0.10 -1.47 -0.03 0.00 0.00 0.00 0.00 19.45 18.04 1upt n ALA 147 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1upt s LEU 148 N -2.87 4.41 0.21 0.00 1.43 -0.74 -5.03 118.68 116.09 1upt s LEU 148 Ca 0.18 2.17 0.09 0.00 -1.03 0.00 0.00 54.13 55.55 1upt s LEU 148 Cb 0.19 -3.59 -0.04 0.00 0.03 0.00 0.00 46.19 42.78 1upt s LEU 148 CO 0.51 -0.45 -0.08 -0.54 0.23 0.00 0.00 176.35 176.03 1upt s LYS 149 N 0.41 2.09 -1.47 1.70 1.02 -1.26 -4.66 119.74 117.58 1upt s LYS 149 Ca 0.57 -1.34 -0.01 0.00 0.02 0.00 0.00 55.97 55.20 1upt s LYS 149 Cb -0.32 -2.13 0.01 0.00 -0.52 0.00 0.00 37.83 34.86 1upt s LYS 149 CO 0.33 0.41 0.11 -0.25 -0.92 0.00 0.00 175.35 175.03 1upt n ASP 150 N -0.24 -5.10 -3.90 2.83 8.00 -1.26 -4.97 116.55 111.92 1upt n ASP 150 Ca -0.09 -0.00 -0.20 0.00 0.71 0.00 0.00 54.79 55.21 1upt n ASP 150 Cb 0.57 -4.25 -0.16 0.00 -0.02 0.00 0.00 41.12 37.26 1upt n ASP 150 CO 0.00 0.00 0.00 -0.60 -0.39 0.00 0.00 177.20 176.21 1upt s ARG 151 N -5.19 0.84 -0.27 -1.24 6.06 -1.26 -4.97 118.95 112.92 1upt s ARG 151 Ca 0.06 -0.11 -0.25 0.00 -2.50 0.00 0.00 55.73 52.93 1upt s ARG 151 Cb -0.03 -0.84 -0.00 0.00 0.06 0.00 0.00 34.95 34.14 1upt s ARG 151 CO 0.08 -0.08 0.86 0.15 -2.50 0.00 0.00 175.30 173.81 1upt s LYS 152 N 0.89 4.12 0.01 5.12 -0.14 -1.26 -5.04 119.74 123.44 1upt s LYS 152 Ca -0.11 0.89 -0.13 0.00 -1.36 0.00 0.00 55.97 55.25 1upt s LYS 152 Cb -0.14 -3.68 0.02 0.00 -1.68 0.00 0.00 37.83 32.35 1upt s LYS 152 CO 0.00 -0.60 0.29 1.67 -0.76 0.00 0.00 175.35 175.94 1upt s TRP 153 N 2.98 -0.12 0.04 3.18 1.48 -1.26 -2.00 118.94 123.24 1upt s TRP 153 Ca 0.36 0.10 -0.14 0.00 -1.06 0.00 0.00 56.10 55.36 1upt s TRP 153 Cb -0.15 0.07 0.02 0.00 -1.16 0.00 0.00 33.47 32.26 1upt s TRP 153 CO 0.09 -0.42 0.32 -1.14 -4.06 0.00 0.00 176.95 171.74 1upt s GLN 154 N -1.80 0.81 0.01 3.25 2.00 -1.11 -5.03 119.66 117.79 1upt s GLN 154 Ca -0.10 -0.47 0.06 0.00 -2.00 0.00 0.00 55.36 52.84 1upt s GLN 154 Cb -0.04 0.35 -0.03 0.00 0.80 0.00 0.00 33.01 34.10 1upt s GLN 154 CO 0.01 -0.26 -0.17 -1.50 -0.50 0.00 0.00 175.29 172.87 1upt s ILE 155 N -2.48 2.85 0.02 -2.34 2.07 -1.26 -1.23 121.20 118.84 1upt s ILE 155 Ca -0.05 -1.05 0.02 0.00 -1.41 0.00 0.00 60.65 58.15 1upt s ILE 155 Cb -0.01 -2.17 -0.01 0.00 0.13 0.00 0.00 42.46 40.39 1upt s ILE 155 CO -0.03 0.41 -0.06 -0.36 -1.91 0.00 0.00 174.94 173.00 1upt s PHE 156 N -0.87 0.50 -0.25 3.50 0.08 -0.47 -4.96 117.98 115.51 1upt s PHE 156 Ca 0.14 -0.31 -0.25 0.00 0.12 0.00 0.00 56.93 56.63 1upt s PHE 156 Cb -0.11 -0.31 -0.00 0.00 -0.57 0.00 0.00 43.02 42.03 1upt s PHE 156 CO 0.04 -0.06 0.85 0.15 -0.10 0.00 0.00 175.22 176.10 1upt s LYS 157 N -0.91 4.17 0.06 0.44 1.02 -1.26 -0.31 119.74 122.96 1upt s LYS 157 Ca -0.05 0.96 0.05 0.00 0.02 0.00 0.00 55.97 56.95 1upt s LYS 157 Cb -0.06 -3.65 -0.03 0.00 -0.52 0.00 0.00 37.83 33.57 1upt s LYS 157 CO 0.00 -0.56 -0.15 0.95 -0.92 0.00 0.00 175.35 174.68 1upt s THR 158 N 2.91 1.15 -0.19 2.17 -4.23 -0.76 -4.12 115.64 112.57 1upt s THR 158 Ca 0.36 -1.24 -0.00 0.00 -1.18 0.00 0.00 61.69 59.62 1upt s THR 158 Cb -0.15 -1.08 0.05 0.00 1.34 0.00 0.00 72.50 72.65 1upt s THR 158 CO 0.08 -0.16 -0.05 -0.55 -0.54 0.00 0.00 174.62 173.40 1upt s SER 159 N -1.60 3.15 0.46 3.99 0.15 -0.72 -1.75 113.70 117.38 1upt s SER 159 Ca -0.01 -0.82 0.19 0.00 0.70 0.00 0.00 55.95 56.01 1upt s SER 159 Cb -0.09 -1.00 1.10 0.00 -1.71 0.00 0.00 66.02 64.32 1upt s SER 159 CO 0.02 -0.20 1.98 0.00 1.20 0.00 0.00 173.24 176.24 1upt h ALA 160 N 8.07 1.45 0.11 5.45 0.00 -1.93 -0.34 119.26 132.06 1upt h ALA 160 Ca -0.23 -0.19 -0.17 0.00 0.00 0.00 0.00 54.91 54.33 1upt h ALA 160 Cb 1.10 -0.03 0.02 0.00 0.00 0.00 0.00 17.79 18.88 1upt h ALA 160 CO 0.41 0.26 -0.72 1.79 0.00 0.00 0.00 179.25 180.99 1upt h THR 161 N 0.00 1.52 0.07 0.00 1.35 -1.95 -3.35 112.91 110.56 1upt h THR 161 Ca -0.00 -2.45 -0.25 0.00 -0.55 0.00 0.00 66.41 63.15 1upt h THR 161 Cb 0.42 3.13 0.00 0.00 -1.73 0.00 0.00 68.15 69.97 1upt h THR 161 CO 0.03 0.69 -1.10 0.11 -0.25 0.00 0.00 175.52 175.00 1upt h LYS 162 N -0.38 0.35 0.00 4.72 6.56 -2.00 -3.45 116.57 122.37 1upt h LYS 162 Ca -0.12 -0.47 0.00 0.00 -1.06 0.00 0.00 60.65 59.00 1upt h LYS 162 Cb 1.54 0.16 0.00 0.00 -0.57 0.00 0.00 32.23 33.36 1upt h LYS 162 CO 0.14 1.17 0.00 0.41 -2.06 0.00 0.00 179.45 179.11 1upt n GLY 163 N 1.25 0.53 3.75 3.86 0.00 -0.15 -5.08 105.19 109.35 1upt n GLY 163 Ca -0.08 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.54 1upt n GLY 163 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1upt s THR 164 N -2.00 3.76 0.00 2.61 -4.23 -1.15 -3.80 115.64 110.84 1upt s THR 164 Ca 0.00 1.73 0.00 0.00 -1.18 0.00 0.00 61.69 62.24 1upt s THR 164 Cb 0.00 -4.10 0.00 0.00 1.34 0.00 0.00 72.50 69.74 1upt s THR 164 CO 0.00 0.39 0.00 0.61 -0.54 0.00 0.00 174.62 175.08 1upt n GLY 165 N 1.44 1.59 0.07 3.99 0.00 -1.26 -1.76 105.19 109.26 1upt n GLY 165 Ca -0.01 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.89 1upt n GLY 165 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1upt h LEU 166 N 0.00 -0.02 -1.23 0.99 3.38 -1.82 -2.46 115.31 114.14 1upt h LEU 166 Ca 0.00 -0.75 0.19 0.00 0.09 0.00 0.00 57.88 57.41 1upt h LEU 166 Cb 0.00 0.01 -0.09 0.00 0.09 0.00 0.00 40.66 40.67 1upt h LEU 166 CO 0.00 0.79 0.61 0.44 0.09 0.00 0.00 178.44 180.37 1upt h ASP 167 N -0.89 0.63 0.49 -0.43 3.32 -1.91 -2.62 116.42 115.02 1upt h ASP 167 Ca -0.00 0.07 -0.30 0.00 0.02 0.00 0.00 57.03 56.82 1upt h ASP 167 Cb 0.77 -0.05 0.02 0.00 0.22 0.00 0.00 39.33 40.29 1upt h ASP 167 CO 0.00 0.25 -1.35 -0.33 -1.72 0.00 0.00 179.24 176.09 1upt h GLU 168 N 0.63 0.36 -1.18 3.56 3.07 -1.97 -2.02 114.58 117.03 1upt h GLU 168 Ca 0.52 -0.62 0.00 0.00 -0.50 0.00 0.00 59.36 58.76 1upt h GLU 168 Cb 0.98 0.23 0.00 0.00 -0.84 0.00 0.00 28.75 29.12 1upt h GLU 168 CO -0.28 1.29 0.00 0.00 -1.40 0.00 0.00 179.01 178.62 1upt n ALA 169 N -2.61 1.74 0.00 3.43 0.00 -0.93 -2.74 120.51 119.40 1upt n ALA 169 Ca -0.12 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.32 1upt n ALA 169 Cb 1.05 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 19.50 1upt n ALA 169 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 1upt n GLU 171 N 0.64 0.00 -0.16 0.00 4.07 -0.76 -2.00 120.64 122.43 1upt n GLU 171 Ca 0.00 0.00 -0.10 0.00 -0.06 0.00 0.00 57.16 57.00 1upt n GLU 171 Cb 0.14 0.00 -0.00 0.00 -0.06 0.00 0.00 31.44 31.52 1upt n GLU 171 CO 0.00 0.00 0.00 2.35 -0.06 0.00 0.00 177.13 179.42 1upt h TRP 172 N 0.00 0.93 -0.45 4.31 7.01 -1.81 -2.40 115.95 123.54 1upt h TRP 172 Ca 0.00 -0.17 -0.05 0.00 2.11 0.00 0.00 58.89 60.77 1upt h TRP 172 Cb 0.00 -0.24 -0.02 0.00 -2.10 0.00 0.00 29.16 26.81 1upt h TRP 172 CO 0.00 0.90 0.07 1.25 -2.79 0.00 0.00 178.44 177.87 1upt h LEU 173 N 0.69 0.72 -0.04 0.65 5.85 -1.71 -1.62 115.31 119.85 1upt h LEU 173 Ca 0.13 -0.26 -0.01 0.00 0.84 0.00 0.00 57.88 58.58 1upt h LEU 173 Cb 0.55 -0.19 -0.00 0.00 0.37 0.00 0.00 40.66 41.39 1upt h LEU 173 CO 0.03 0.80 -0.01 0.58 -0.34 0.00 0.00 178.44 179.50 1upt h VAL 174 N 0.61 1.29 -0.71 1.05 2.07 -1.83 -0.48 116.25 118.25 1upt h VAL 174 Ca 0.14 -0.89 -0.01 0.00 0.82 0.00 0.00 66.70 66.76 1upt h VAL 174 Cb 0.38 1.81 -0.03 0.00 -1.52 0.00 0.00 31.29 31.93 1upt h VAL 174 CO 0.01 0.24 0.41 -0.33 0.02 0.00 0.00 177.57 177.92 1upt h GLU 175 N -0.27 0.98 -0.46 1.57 4.39 -1.47 0.14 114.58 119.47 1upt h GLU 175 Ca 0.01 -0.10 -0.13 0.00 0.34 0.00 0.00 59.36 59.49 1upt h GLU 175 Cb 0.39 -0.20 -0.01 0.00 -0.10 0.00 0.00 28.75 28.83 1upt h GLU 175 CO 0.00 0.71 -0.21 1.15 -1.16 0.00 0.00 179.01 179.50 1upt h THR 176 N 0.99 1.27 -0.45 1.13 2.02 -1.10 -2.49 112.91 114.27 1upt h THR 176 Ca 0.25 -1.37 -0.14 0.00 0.77 0.00 0.00 66.41 65.93 1upt h THR 176 Cb -0.00 1.14 -0.01 0.00 -1.74 0.00 0.00 68.15 67.53 1upt h THR 176 CO -0.04 0.47 -0.26 -0.07 0.37 0.00 0.00 175.52 175.98 1upt h LEU 177 N 0.81 1.01 -2.22 2.58 3.38 -0.60 -2.95 115.31 117.32 1upt h LEU 177 Ca 0.11 -0.40 -0.00 0.00 0.09 0.00 0.00 57.88 57.67 1upt h LEU 177 Cb 0.77 -0.28 -0.00 0.00 0.09 0.00 0.00 40.66 41.24 1upt h LEU 177 CO 0.06 1.20 -0.01 0.11 0.09 0.00 0.00 178.44 179.89 1upt h LYS 178 N 0.83 0.00 -0.84 1.13 1.57 -0.53 -2.64 116.57 116.09 1upt h LYS 178 Ca 0.10 0.00 -0.18 0.00 -1.87 0.00 0.00 60.65 58.70 1upt h LYS 178 Cb 0.84 0.00 -0.10 0.00 0.08 0.00 0.00 32.23 33.05 1upt h LYS 178 CO 0.07 0.01 0.22 0.43 -0.57 0.00 0.00 179.45 179.62 1upt n SER 179 N -4.17 4.04 0.00 0.86 7.64 -0.96 -5.09 113.62 115.95 1upt n SER 179 Ca -0.03 -2.91 0.00 0.00 1.01 0.00 0.00 58.87 56.94 1upt n SER 179 Cb 0.10 -0.69 0.00 0.00 -1.01 0.00 0.00 64.21 62.61 1upt n SER 179 CO 0.00 0.00 0.00 -1.14 -3.01 0.00 0.00 175.04 170.89