#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1lnu n GLU 2 N 0.00 0.00 -3.65 6.28 -0.58 -1.26 -4.89 120.64 116.54 1lnu n GLU 2 Ca 0.00 0.00 -0.01 0.00 -0.42 0.00 0.00 57.16 56.73 1lnu n GLU 2 Cb 0.00 0.00 -0.06 0.00 -0.57 0.00 0.00 31.44 30.81 1lnu n GLU 2 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1lnu s ALA 3 N 0.00 -2.44 0.00 0.62 0.00 -1.26 -5.11 121.76 113.57 1lnu s ALA 3 Ca 0.00 1.94 0.00 0.00 0.00 0.00 0.00 51.96 53.90 1lnu s ALA 3 Cb 0.00 -1.85 0.00 0.00 0.00 0.00 0.00 23.12 21.27 1lnu s ALA 3 CO 0.00 -0.26 0.00 -0.25 0.00 0.00 0.00 175.76 175.25 1lnu n ASP 4 N 2.75 0.00 -4.79 0.00 8.00 -1.26 -4.73 116.55 116.52 1lnu n ASP 4 Ca -0.15 0.00 -0.36 0.00 0.71 0.00 0.00 54.79 54.98 1lnu n ASP 4 Cb 0.57 0.00 -0.06 0.00 -0.02 0.00 0.00 41.12 41.60 1lnu n ASP 4 CO 0.00 0.00 0.00 -1.00 -0.39 0.00 0.00 177.20 175.81 1lnu s HIS 5 N 0.00 3.65 -0.09 1.24 3.76 -1.26 -5.06 115.29 117.53 1lnu s HIS 5 Ca 0.00 1.69 0.00 0.00 -0.15 0.00 0.00 55.06 56.60 1lnu s HIS 5 Cb 0.00 -2.86 0.02 0.00 1.11 0.00 0.00 32.58 30.86 1lnu s HIS 5 CO 0.00 0.21 -0.08 0.54 -0.85 0.00 0.00 174.74 174.56 1lnu s VAL 6 N -1.65 0.93 -0.31 -0.90 0.11 -1.26 -5.08 120.40 112.24 1lnu s VAL 6 Ca 0.50 -0.28 -0.08 0.00 -2.93 0.00 0.00 61.98 59.19 1lnu s VAL 6 Cb -0.17 -0.93 0.01 0.00 -1.53 0.00 0.00 36.38 33.76 1lnu s VAL 6 CO 0.22 0.33 0.10 -0.83 -3.33 0.00 0.00 175.10 171.60 1lnu s GLY 7 N 1.33 1.82 -0.30 6.54 0.00 -1.26 -2.49 107.32 112.96 1lnu s GLY 7 Ca -0.03 -1.49 -0.11 0.00 0.00 0.00 0.00 44.72 43.09 1lnu s GLY 7 CO -0.03 0.68 0.19 -1.59 0.00 0.00 0.00 173.10 172.35 1lnu s THR 8 N 1.51 5.12 0.18 0.90 2.01 -0.11 -5.02 115.64 120.23 1lnu s THR 8 Ca 0.02 -0.03 0.05 0.00 0.31 0.00 0.00 61.69 62.05 1lnu s THR 8 Cb -0.18 -3.50 -0.05 0.00 0.01 0.00 0.00 72.50 68.78 1lnu s THR 8 CO 0.03 0.17 -0.09 -0.31 -0.69 0.00 0.00 174.62 173.74 1lnu s TYR 9 N 1.72 1.42 -1.62 4.92 2.02 -1.26 0.87 117.35 125.42 1lnu s TYR 9 Ca 0.06 -0.75 0.00 0.00 -0.37 0.00 0.00 57.07 56.01 1lnu s TYR 9 Cb -0.16 -0.73 0.00 0.00 -0.40 0.00 0.00 41.96 40.67 1lnu s TYR 9 CO 0.10 0.12 0.00 0.41 -1.57 0.00 0.00 175.55 174.61 1lnu n GLY 10 N -0.28 0.62 3.60 0.71 0.00 -1.23 -4.86 105.19 103.75 1lnu n GLY 10 Ca -0.09 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.49 1lnu n GLY 10 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1lnu n ILE 11 N -2.86 0.42 -4.09 -0.61 5.41 0.08 -4.85 119.36 112.86 1lnu n ILE 11 Ca -0.18 -0.34 -0.33 0.00 1.00 0.00 0.00 62.75 62.90 1lnu n ILE 11 Cb 0.60 -2.31 -0.15 0.00 -0.71 0.00 0.00 39.64 37.06 1lnu n ILE 11 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 176.55 176.11 1lnu s SER 12 N 7.07 3.81 -0.02 4.38 0.01 -1.26 -0.68 113.70 127.01 1lnu s SER 12 Ca 0.99 -1.03 0.06 0.00 1.31 0.00 0.00 55.95 57.29 1lnu s SER 12 Cb -0.47 -1.52 -0.02 0.00 0.21 0.00 0.00 66.02 64.22 1lnu s SER 12 CO 0.40 -0.10 -0.21 -0.69 0.41 0.00 0.00 173.24 173.06 1lnu s VAL 13 N 1.19 2.52 -0.08 3.43 1.01 -0.42 -5.00 120.40 123.06 1lnu s VAL 13 Ca -0.02 -1.00 -0.12 0.00 0.00 0.00 0.00 61.98 60.84 1lnu s VAL 13 Cb -0.17 -1.95 0.03 0.00 0.00 0.00 0.00 36.38 34.29 1lnu s VAL 13 CO -0.09 0.54 0.30 -0.47 0.00 0.00 0.00 175.10 175.38 1lnu s TYR 14 N -0.71 -0.27 -0.14 5.22 5.04 -1.26 -1.63 117.35 123.60 1lnu s TYR 14 Ca 0.11 0.61 0.01 0.00 -2.44 0.00 0.00 57.07 55.36 1lnu s TYR 14 Cb -0.10 0.10 0.02 0.00 0.35 0.00 0.00 41.96 42.33 1lnu s TYR 14 CO 0.01 -0.23 -0.14 -0.65 -1.34 0.00 0.00 175.55 173.19 1lnu s GLN 15 N -0.35 2.31 0.02 4.97 -0.21 0.27 -4.98 119.66 121.68 1lnu s GLN 15 Ca -0.05 -0.57 -0.04 0.00 0.02 0.00 0.00 55.36 54.72 1lnu s GLN 15 Cb -0.03 -2.09 -0.01 0.00 1.00 0.00 0.00 33.01 31.88 1lnu s GLN 15 CO 0.02 -0.21 1.07 1.03 -2.12 0.00 0.00 175.29 175.08 1lnu h SER 16 N 7.95 -0.25 -2.13 5.90 0.87 -1.98 -2.81 113.55 121.09 1lnu h SER 16 Ca -0.37 0.03 -0.52 0.00 -1.23 0.00 0.00 61.79 59.70 1lnu h SER 16 Cb 1.14 0.10 -0.02 0.00 -0.44 0.00 0.00 62.40 63.18 1lnu h SER 16 CO 0.53 -0.05 1.38 -2.16 -0.53 0.00 0.00 176.83 176.00 1lnu s PRO 17 N -3.35 2.77 0.00 2.24 0.04 -1.26 -2.62 135.00 132.82 1lnu s PRO 17 Ca -0.02 1.06 0.00 0.00 0.04 0.00 0.00 61.00 62.08 1lnu s PRO 17 Cb 0.01 -4.36 0.00 0.00 0.04 0.00 0.00 34.50 30.19 1lnu s PRO 17 CO 0.08 -2.53 0.00 0.41 0.04 0.00 0.00 177.00 175.00 1lnu n GLY 18 N 5.67 0.89 4.27 0.56 0.00 -1.25 -4.70 105.19 110.62 1lnu n GLY 18 Ca 0.24 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.95 1lnu n GLY 18 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1lnu n ASP 19 N 0.00 0.28 -4.59 1.61 4.64 -1.08 -4.87 116.55 112.54 1lnu n ASP 19 Ca 0.00 -1.21 -0.39 0.00 -1.38 0.00 0.00 54.79 51.80 1lnu n ASP 19 Cb 0.00 -1.92 -0.09 0.00 -1.04 0.00 0.00 41.12 38.07 1lnu n ASP 19 CO 0.00 0.00 0.00 -0.63 -0.82 0.00 0.00 177.20 175.75 1lnu s ILE 20 N -4.15 5.16 0.13 5.18 1.01 -1.11 -4.94 121.20 122.48 1lnu s ILE 20 Ca 0.11 0.50 0.07 0.00 0.00 0.00 0.00 60.65 61.33 1lnu s ILE 20 Cb -0.06 -3.74 -0.04 0.00 0.01 0.00 0.00 42.46 38.63 1lnu s ILE 20 CO 0.98 0.10 -0.15 -0.83 0.00 0.00 0.00 174.94 175.03 1lnu s GLY 21 N 1.66 1.17 -0.14 6.18 0.00 -1.26 -0.57 107.32 114.37 1lnu s GLY 21 Ca 0.15 -1.35 -0.07 0.00 0.00 0.00 0.00 44.72 43.45 1lnu s GLY 21 CO 0.10 -1.40 0.31 1.62 0.00 0.00 0.00 173.10 173.73 1lnu s GLN 22 N -2.69 0.27 -0.20 2.90 0.74 -0.65 -4.95 119.66 115.08 1lnu s GLN 22 Ca 0.11 0.67 0.01 0.00 0.05 0.00 0.00 55.36 56.20 1lnu s GLN 22 Cb -0.05 -0.05 0.04 0.00 1.10 0.00 0.00 33.01 34.04 1lnu s GLN 22 CO 0.04 -0.18 -0.14 -0.47 -0.55 0.00 0.00 175.29 173.99 1lnu s TYR 23 N 1.51 2.74 0.06 1.67 6.14 -1.26 -1.30 117.35 126.91 1lnu s TYR 23 Ca -0.08 -1.78 0.00 0.00 0.64 0.00 0.00 57.07 55.86 1lnu s TYR 23 Cb -0.10 -1.80 -0.04 0.00 0.42 0.00 0.00 41.96 40.44 1lnu s TYR 23 CO -0.10 -0.80 -0.04 0.95 0.64 0.00 0.00 175.55 176.20 1lnu s THR 24 N 1.29 0.34 -0.10 4.34 -4.23 0.14 -1.85 115.64 115.57 1lnu s THR 24 Ca -0.01 -1.65 0.03 0.00 -1.18 0.00 0.00 61.69 58.89 1lnu s THR 24 Cb -0.16 -1.30 0.00 0.00 1.34 0.00 0.00 72.50 72.39 1lnu s THR 24 CO -0.09 -0.85 -0.22 -0.36 -0.54 0.00 0.00 174.62 172.56 1lnu s PHE 25 N -3.28 2.41 0.18 3.99 0.40 -1.04 -0.74 117.98 119.89 1lnu s PHE 25 Ca 0.03 -1.03 0.08 0.00 -0.60 0.00 0.00 56.93 55.42 1lnu s PHE 25 Cb 0.03 -1.63 -0.04 0.00 0.51 0.00 0.00 43.02 41.89 1lnu s PHE 25 CO -0.07 -0.44 -0.17 -1.21 0.70 0.00 0.00 175.22 174.03 1lnu s GLU 26 N 0.49 1.29 -0.14 0.44 2.02 0.25 -0.82 118.70 122.23 1lnu s GLU 26 Ca -0.16 -1.45 -0.05 0.00 0.02 0.00 0.00 54.97 53.33 1lnu s GLU 26 Cb -0.17 -1.29 0.07 0.00 0.10 0.00 0.00 34.13 32.83 1lnu s GLU 26 CO 0.06 0.25 0.30 0.12 0.02 0.00 0.00 175.26 176.01 1lnu s PHE 27 N -2.26 -0.50 -1.44 1.61 5.36 0.31 -0.94 117.98 120.13 1lnu s PHE 27 Ca 0.17 1.08 -0.01 0.00 -0.96 0.00 0.00 56.93 57.21 1lnu s PHE 27 Cb -0.05 0.04 0.01 0.00 -0.34 0.00 0.00 43.02 42.68 1lnu s PHE 27 CO 0.07 -0.38 0.40 -0.25 -1.46 0.00 0.00 175.22 173.60 1lnu n ASP 28 N 5.30 -0.38 0.00 6.13 8.00 -1.04 -0.37 116.55 134.19 1lnu n ASP 28 Ca -0.08 -1.04 0.00 0.00 0.71 0.00 0.00 54.79 54.39 1lnu n ASP 28 Cb 0.50 -2.88 0.00 0.00 -0.02 0.00 0.00 41.12 38.72 1lnu n ASP 28 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1lnu n GLY 29 N -2.01 0.69 3.38 0.44 0.00 -1.26 -5.01 105.19 101.41 1lnu n GLY 29 Ca -0.29 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.41 1lnu n GLY 29 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1lnu s ASP 30 N -2.53 3.59 -0.30 1.61 1.01 0.50 -5.07 116.67 115.47 1lnu s ASP 30 Ca 0.00 -0.35 -0.29 0.00 0.71 0.00 0.00 52.55 52.62 1lnu s ASP 30 Cb 0.00 -0.84 0.00 0.00 1.01 0.00 0.00 42.92 43.09 1lnu s ASP 30 CO 0.00 0.29 1.30 -0.70 0.21 0.00 0.00 175.17 176.27 1lnu s GLU 31 N -0.42 3.91 0.16 8.23 2.12 -1.26 0.12 118.70 131.54 1lnu s GLU 31 Ca 0.04 1.23 -0.07 0.00 0.36 0.00 0.00 54.97 56.53 1lnu s GLU 31 Cb -0.12 -3.88 0.01 0.00 0.26 0.00 0.00 34.13 30.40 1lnu s GLU 31 CO 0.02 -1.13 1.46 -0.07 -0.54 0.00 0.00 175.26 175.00 1lnu h LEU 32 N 10.90 0.82 0.00 2.70 3.38 -1.31 -3.41 115.31 128.39 1lnu h LEU 32 Ca -0.26 -0.43 0.00 0.00 0.09 0.00 0.00 57.88 57.28 1lnu h LEU 32 Cb 1.10 -0.23 0.00 0.00 0.09 0.00 0.00 40.66 41.61 1lnu h LEU 32 CO 1.04 1.19 0.00 2.22 0.09 0.00 0.00 178.44 182.97 1lnu n PHE 33 N -3.99 0.00 -4.02 1.13 1.16 -1.21 -3.39 117.46 107.14 1lnu n PHE 33 Ca -0.03 0.00 -0.09 0.00 -1.87 0.00 0.00 57.45 55.46 1lnu n PHE 33 Cb 0.61 0.00 -0.11 0.00 -1.61 0.00 0.00 39.48 38.37 1lnu n PHE 33 CO 0.00 0.00 0.00 1.52 -1.87 0.00 0.00 176.76 176.41 1lnu s TYR 34 N -2.00 0.37 -0.29 2.97 1.13 0.23 -2.49 117.35 117.27 1lnu s TYR 34 Ca 0.00 -0.65 -0.11 0.00 -1.41 0.00 0.00 57.07 54.90 1lnu s TYR 34 Cb 0.00 -0.26 -0.04 0.00 -1.10 0.00 0.00 41.96 40.56 1lnu s TYR 34 CO 0.00 -0.22 0.19 0.08 -2.51 0.00 0.00 175.55 173.09 1lnu s VAL 35 N -2.03 5.15 0.13 -3.49 1.01 -0.77 -0.03 120.40 120.37 1lnu s VAL 35 Ca -0.10 0.00 -0.31 0.00 0.00 0.00 0.00 61.98 61.57 1lnu s VAL 35 Cb -0.06 -3.51 -0.09 0.00 0.00 0.00 0.00 36.38 32.73 1lnu s VAL 35 CO -0.03 0.18 1.51 -0.62 0.00 0.00 0.00 175.10 176.15 1lnu s ASP 36 N 1.73 6.67 0.09 3.32 -1.08 -0.05 -4.50 116.67 122.85 1lnu s ASP 36 Ca 0.07 2.49 0.09 0.00 -0.52 0.00 0.00 52.55 54.68 1lnu s ASP 36 Cb -0.16 -2.59 -0.19 0.00 -1.46 0.00 0.00 42.92 38.52 1lnu s ASP 36 CO 0.10 -0.77 1.12 -0.07 0.52 0.00 0.00 175.17 176.06 1lnu h LEU 37 N 7.03 0.00 0.07 -1.34 3.38 -1.92 -1.87 115.31 120.67 1lnu h LEU 37 Ca -0.42 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.54 1lnu h LEU 37 Cb 1.20 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.96 1lnu h LEU 37 CO 0.90 0.94 -0.03 -0.78 0.09 0.00 0.00 178.44 179.56 1lnu h ASP 38 N 0.00 -0.08 0.13 -0.43 3.58 -1.98 -3.31 116.42 114.33 1lnu h ASP 38 Ca -0.09 0.00 -0.01 0.00 0.42 0.00 0.00 57.03 57.36 1lnu h ASP 38 Cb 1.79 0.02 -0.00 0.00 1.72 0.00 0.00 39.33 42.86 1lnu h ASP 38 CO 0.11 0.20 -0.03 0.50 -2.88 0.00 0.00 179.24 177.14 1lnu h LYS 39 N -0.62 0.00 -5.12 0.28 1.63 -1.98 -3.46 116.57 107.30 1lnu h LYS 39 Ca -0.01 0.00 -0.20 0.00 -0.85 0.00 0.00 60.65 59.59 1lnu h LYS 39 Cb 0.07 0.00 0.16 0.00 -0.60 0.00 0.00 32.23 31.86 1lnu h LYS 39 CO 0.02 0.03 -0.69 1.63 -3.45 0.00 0.00 179.45 176.99 1lnu n LYS 40 N -3.61 -1.89 -3.67 1.90 5.02 -0.75 -5.03 118.16 110.13 1lnu n LYS 40 Ca -0.03 0.80 -0.15 0.00 -2.02 0.00 0.00 58.31 56.92 1lnu n LYS 40 Cb 0.13 -5.26 -0.08 0.00 -0.02 0.00 0.00 35.03 29.80 1lnu n LYS 40 CO 0.00 0.00 0.00 -1.83 -0.52 0.00 0.00 177.40 175.05 1lnu s GLU 41 N -4.12 0.75 0.06 1.97 -1.05 -0.94 -4.89 118.70 110.48 1lnu s GLU 41 Ca 0.37 0.37 -0.31 0.00 -0.15 0.00 0.00 54.97 55.26 1lnu s GLU 41 Cb -0.05 0.35 -0.06 0.00 -0.44 0.00 0.00 34.13 33.93 1lnu s GLU 41 CO 0.64 -0.17 1.29 0.99 0.95 0.00 0.00 175.26 178.96 1lnu s THR 42 N -0.51 3.78 -0.22 1.83 2.01 -1.26 -0.87 115.64 120.40 1lnu s THR 42 Ca -0.06 1.25 0.00 0.00 0.31 0.00 0.00 61.69 63.19 1lnu s THR 42 Cb -0.03 -3.80 0.03 0.00 0.01 0.00 0.00 72.50 68.70 1lnu s THR 42 CO 0.04 0.07 -0.13 -0.69 -0.69 0.00 0.00 174.62 173.22 1lnu s VAL 43 N 1.37 2.41 0.24 3.82 1.01 0.96 -4.94 120.40 125.28 1lnu s VAL 43 Ca 0.61 -1.05 -0.09 0.00 0.00 0.00 0.00 61.98 61.45 1lnu s VAL 43 Cb -0.32 -2.16 -0.07 0.00 0.00 0.00 0.00 36.38 33.84 1lnu s VAL 43 CO 0.28 0.33 0.55 0.26 0.00 0.00 0.00 175.10 176.53 1lnu s TRP 44 N 1.28 3.43 -0.03 5.22 0.52 -1.26 -0.60 118.94 127.50 1lnu s TRP 44 Ca 0.01 0.83 -0.02 0.00 0.02 0.00 0.00 56.10 56.95 1lnu s TRP 44 Cb -0.15 -2.23 -0.27 0.00 -1.15 0.00 0.00 33.47 29.66 1lnu s TRP 44 CO -0.08 0.25 0.73 1.98 0.02 0.00 0.00 176.95 179.84 1lnu h MET 45 N 2.39 0.23 -4.20 4.98 1.85 -1.79 -3.41 114.93 114.98 1lnu h MET 45 Ca -0.47 -0.39 -0.74 0.00 -0.61 0.00 0.00 59.70 57.49 1lnu h MET 45 Cb 1.17 0.14 -0.26 0.00 0.43 0.00 0.00 31.60 33.09 1lnu h MET 45 CO 0.69 1.06 -0.30 -0.51 -0.40 0.00 0.00 176.91 177.45 1lnu s LEU 46 N -6.89 5.91 0.46 3.39 1.02 -1.26 -4.94 118.68 116.37 1lnu s LEU 46 Ca -0.11 -1.74 0.18 0.00 0.02 0.00 0.00 54.13 52.47 1lnu s LEU 46 Cb 0.07 -2.14 1.14 0.00 0.02 0.00 0.00 46.19 45.28 1lnu s LEU 46 CO 0.83 -0.76 1.96 1.55 0.02 0.00 0.00 176.35 179.95 1lnu h PRO 47 N 8.72 0.29 -0.67 1.29 0.13 -1.98 0.85 132.00 140.63 1lnu h PRO 47 Ca -0.27 -0.02 0.04 0.00 -0.87 0.00 0.00 66.00 64.88 1lnu h PRO 47 Cb 1.09 -0.07 -0.05 0.00 0.13 0.00 0.00 31.00 32.11 1lnu h PRO 47 CO 0.95 0.19 0.41 1.05 -0.23 0.00 0.00 178.00 180.37 1lnu h GLU 48 N 0.30 0.76 -0.54 0.86 9.09 -1.98 -1.74 114.58 121.33 1lnu h GLU 48 Ca 0.31 -0.05 0.06 0.00 0.05 0.00 0.00 59.36 59.73 1lnu h GLU 48 Cb 0.81 -0.17 -0.05 0.00 -1.65 0.00 0.00 28.75 27.69 1lnu h GLU 48 CO -0.08 0.51 0.25 0.74 0.05 0.00 0.00 179.01 180.48 1lnu h PHE 49 N 0.79 0.46 -0.47 2.06 -1.00 -1.26 -1.99 116.94 115.52 1lnu h PHE 49 Ca 0.28 0.02 0.07 0.00 2.81 0.00 0.00 57.97 61.16 1lnu h PHE 49 Cb 0.06 -0.13 -0.03 0.00 3.61 0.00 0.00 35.95 39.47 1lnu h PHE 49 CO -0.05 0.20 0.32 0.78 -1.61 0.00 0.00 178.31 177.94 1lnu h GLY 50 N 0.48 0.41 2.00 -1.45 0.00 -0.76 -0.48 103.07 103.27 1lnu h GLY 50 Ca 0.25 -0.13 0.00 0.00 0.00 0.00 0.00 47.33 47.45 1lnu h GLY 50 CO -0.20 0.09 0.00 -1.06 0.00 0.00 0.00 176.54 175.38 1lnu n GLN 51 N -4.47 0.04 -0.00 4.80 1.13 -0.76 -3.50 117.38 114.63 1lnu n GLN 51 Ca 0.07 0.12 0.04 0.00 -1.94 0.00 0.00 57.00 55.29 1lnu n GLN 51 Cb 0.31 -1.56 -0.06 0.00 0.11 0.00 0.00 30.24 29.04 1lnu n GLN 51 CO 0.00 0.00 0.00 1.28 -1.44 0.00 0.00 177.06 176.90 1lnu n LEU 52 N -1.64 0.16 -4.05 1.08 4.77 -0.32 -5.04 117.00 111.97 1lnu n LEU 52 Ca 0.06 -0.21 -0.08 0.00 -0.03 0.00 0.00 56.01 55.75 1lnu n LEU 52 Cb 0.30 0.00 -0.10 0.00 -2.33 0.00 0.00 43.42 41.29 1lnu n LEU 52 CO 0.23 0.04 -0.35 0.00 -1.33 0.00 0.00 177.39 175.99 1lnu s ALA 53 N -2.24 0.38 0.12 -1.18 0.00 -0.44 -5.12 121.76 113.27 1lnu s ALA 53 Ca -0.00 -1.03 -0.01 0.00 0.00 0.00 0.00 51.96 50.91 1lnu s ALA 53 Cb 0.06 0.25 -0.04 0.00 0.00 0.00 0.00 23.12 23.39 1lnu s ALA 53 CO 0.35 -0.33 0.05 -1.54 0.00 0.00 0.00 175.76 174.28 1lnu s SER 54 N -2.58 0.33 -0.13 0.00 1.04 -1.26 -4.47 113.70 106.63 1lnu s SER 54 Ca 0.02 -1.18 -0.08 0.00 0.48 0.00 0.00 55.95 55.19 1lnu s SER 54 Cb 0.04 0.29 0.05 0.00 0.10 0.00 0.00 66.02 66.49 1lnu s SER 54 CO -0.08 -0.71 0.32 0.12 0.98 0.00 0.00 173.24 173.87 1lnu s PHE 55 N -4.03 -0.45 -0.30 5.02 5.36 -1.26 -5.12 117.98 117.20 1lnu s PHE 55 Ca 0.22 1.01 -0.29 0.00 -0.96 0.00 0.00 56.93 56.91 1lnu s PHE 55 Cb 0.07 0.15 -0.00 0.00 -0.34 0.00 0.00 43.02 42.90 1lnu s PHE 55 CO 0.00 -0.28 1.38 0.34 -1.46 0.00 0.00 175.22 175.20 1lnu s ASP 56 N 1.22 6.57 0.57 6.13 2.15 -1.26 -4.67 116.67 127.38 1lnu s ASP 56 Ca -0.09 1.23 0.27 0.00 0.43 0.00 0.00 52.55 54.40 1lnu s ASP 56 Cb -0.09 -2.54 1.54 0.00 -0.30 0.00 0.00 42.92 41.53 1lnu s ASP 56 CO -0.10 -1.17 2.03 -0.65 -0.17 0.00 0.00 175.17 175.11 1lnu h PRO 57 N 9.78 0.00 0.00 4.34 0.11 -1.95 -1.16 132.00 143.12 1lnu h PRO 57 Ca -0.28 0.00 -0.04 0.00 0.11 0.00 0.00 66.00 65.79 1lnu h PRO 57 Cb 1.11 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.21 1lnu h PRO 57 CO 1.03 0.00 -0.18 -0.56 -0.21 0.00 0.00 178.00 178.08 1lnu h GLN 58 N 0.00 0.00 -0.71 1.05 -0.00 -1.91 -2.77 115.11 110.78 1lnu h GLN 58 Ca 0.15 0.00 -0.03 0.00 -0.00 0.00 0.00 58.65 58.78 1lnu h GLN 58 Cb 0.77 0.00 -0.03 0.00 -0.00 0.00 0.00 27.48 28.21 1lnu h GLN 58 CO -0.00 0.18 0.34 0.78 -0.00 0.00 0.00 178.83 180.13 1lnu h GLY 59 N 1.46 1.09 0.82 0.06 0.00 -1.61 0.53 103.07 105.42 1lnu h GLY 59 Ca -0.00 -0.54 -0.07 0.00 0.00 0.00 0.00 47.33 46.72 1lnu h GLY 59 CO 0.02 0.51 -0.13 -1.33 0.00 0.00 0.00 176.54 175.62 1lnu h GLY 60 N 0.99 0.49 0.74 4.60 0.00 -1.64 -1.99 103.07 106.26 1lnu h GLY 60 Ca 0.24 -0.46 0.05 0.00 0.00 0.00 0.00 47.33 47.17 1lnu h GLY 60 CO -0.03 0.42 0.46 1.41 0.00 0.00 0.00 176.54 178.80 1lnu h LEU 61 N 0.14 0.73 -1.21 3.11 3.38 -1.32 -1.76 115.31 118.38 1lnu h LEU 61 Ca 0.04 0.02 0.08 0.00 0.09 0.00 0.00 57.88 58.11 1lnu h LEU 61 Cb 0.63 -0.13 -0.06 0.00 0.09 0.00 0.00 40.66 41.19 1lnu h LEU 61 CO 0.04 0.47 0.57 -0.61 0.09 0.00 0.00 178.44 179.00 1lnu h GLN 62 N 0.86 0.89 0.00 1.13 4.15 -0.77 -2.45 115.11 118.93 1lnu h GLN 62 Ca 0.33 -0.05 -0.19 0.00 0.77 0.00 0.00 58.65 59.51 1lnu h GLN 62 Cb 0.14 -0.20 -0.03 0.00 0.21 0.00 0.00 27.48 27.60 1lnu h GLN 62 CO -0.16 0.59 -1.01 -0.97 -1.93 0.00 0.00 178.83 175.35 1lnu h ASN 63 N 0.91 0.00 -0.59 -0.69 -1.24 -0.66 -3.23 115.58 110.09 1lnu h ASN 63 Ca 0.39 0.00 -0.04 0.00 0.71 0.00 0.00 56.30 57.36 1lnu h ASN 63 Cb 0.32 0.00 -0.02 0.00 0.73 0.00 0.00 38.32 39.35 1lnu h ASN 63 CO -0.16 0.81 0.19 0.40 -1.29 0.00 0.00 177.43 177.38 1lnu h ILE 64 N 0.00 1.24 -0.55 2.57 1.08 -0.88 -0.01 117.51 120.96 1lnu h ILE 64 Ca -0.07 -0.80 0.08 0.00 -0.39 0.00 0.00 64.86 63.68 1lnu h ILE 64 Cb 1.67 0.65 -0.06 0.00 -3.07 0.00 0.00 36.82 36.01 1lnu h ILE 64 CO 0.09 0.30 0.21 0.00 -0.69 0.00 0.00 178.15 178.07 1lnu h ALA 65 N 1.06 0.69 0.52 1.87 0.00 -1.54 1.70 119.26 123.56 1lnu h ALA 65 Ca 0.19 0.07 -0.03 0.00 0.00 0.00 0.00 54.91 55.14 1lnu h ALA 65 Cb 0.27 0.03 0.01 0.00 0.00 0.00 0.00 17.79 18.10 1lnu h ALA 65 CO -0.01 -0.19 -0.25 0.28 0.00 0.00 0.00 179.25 179.08 1lnu h VAL 66 N 0.40 0.46 -0.69 0.00 2.07 -1.44 0.28 116.25 117.32 1lnu h VAL 66 Ca 0.27 -0.18 0.10 0.00 0.82 0.00 0.00 66.70 67.71 1lnu h VAL 66 Cb 0.29 0.53 -0.07 0.00 -1.52 0.00 0.00 31.29 30.52 1lnu h VAL 66 CO -0.26 0.03 0.32 0.58 0.02 0.00 0.00 177.57 178.26 1lnu h VAL 67 N -0.82 0.81 -0.16 2.57 2.07 -0.41 0.47 116.25 120.79 1lnu h VAL 67 Ca -0.07 -0.19 0.02 0.00 0.82 0.00 0.00 66.70 67.28 1lnu h VAL 67 Cb 0.59 0.22 -0.02 0.00 -1.52 0.00 0.00 31.29 30.56 1lnu h VAL 67 CO 0.12 0.10 0.05 0.50 0.02 0.00 0.00 177.57 178.36 1lnu h LYS 68 N 0.55 0.12 0.22 1.57 3.64 0.28 -1.32 116.57 121.63 1lnu h LYS 68 Ca 0.35 -0.01 -0.01 0.00 -1.27 0.00 0.00 60.65 59.71 1lnu h LYS 68 Cb 0.40 -0.03 -0.00 0.00 -0.41 0.00 0.00 32.23 32.19 1lnu h LYS 68 CO -0.29 0.08 -0.13 1.25 -2.27 0.00 0.00 179.45 178.09 1lnu h HIS 69 N 0.12 -0.36 -1.38 1.91 2.76 0.15 -2.92 115.15 115.44 1lnu h HIS 69 Ca 0.07 -0.00 0.47 0.00 -2.20 0.00 0.00 60.37 58.70 1lnu h HIS 69 Cb 0.05 0.13 -0.13 0.00 1.55 0.00 0.00 27.41 29.01 1lnu h HIS 69 CO -0.12 -0.20 0.90 0.09 -1.30 0.00 0.00 177.93 177.31 1lnu n ASN 70 N -3.04 0.17 0.38 3.26 4.13 0.15 -1.28 115.26 119.03 1lnu n ASN 70 Ca -0.04 1.27 -0.16 0.00 1.68 0.00 0.00 54.58 57.33 1lnu n ASN 70 Cb 0.14 -0.62 -0.07 0.00 -1.54 0.00 0.00 39.78 37.68 1lnu n ASN 70 CO 0.00 0.00 0.00 0.25 0.28 0.00 0.00 177.26 177.79 1lnu h LEU 71 N 0.00 -0.85 -0.94 3.41 5.85 -1.04 -2.33 115.31 119.40 1lnu h LEU 71 Ca 0.84 0.03 0.16 0.00 0.84 0.00 0.00 57.88 59.75 1lnu h LEU 71 Cb 2.81 0.22 -0.16 0.00 0.37 0.00 0.00 40.66 43.90 1lnu h LEU 71 CO -0.39 -0.48 -0.35 1.23 -0.34 0.00 0.00 178.44 178.11 1lnu h GLY 72 N -1.27 0.17 0.00 3.75 0.00 -1.16 0.55 103.07 105.12 1lnu h GLY 72 Ca -0.10 0.47 0.00 0.00 0.00 0.00 0.00 47.33 47.70 1lnu h GLY 72 CO 0.17 -0.23 0.00 -0.62 0.00 0.00 0.00 176.54 175.85 1lnu n VAL 73 N -5.49 0.00 -0.33 4.60 0.31 -1.13 0.20 118.33 116.47 1lnu n VAL 73 Ca 0.10 1.37 0.22 0.00 -0.01 0.00 0.00 64.34 66.02 1lnu n VAL 73 Cb 0.41 -2.09 0.45 0.00 -0.91 0.00 0.00 33.84 31.70 1lnu n VAL 73 CO 0.00 0.00 0.00 -0.07 -1.32 0.00 0.00 176.83 175.44 1lnu h LEU 74 N 0.00 0.50 0.16 7.52 -0.00 -0.76 1.15 115.31 123.88 1lnu h LEU 74 Ca 0.00 0.18 -0.00 0.00 -0.00 0.00 0.00 57.88 58.06 1lnu h LEU 74 Cb 0.00 0.13 -0.02 0.00 -0.00 0.00 0.00 40.66 40.77 1lnu h LEU 74 CO 0.00 -0.10 -0.28 0.74 -0.00 0.00 0.00 178.44 178.80 1lnu h THR 75 N 0.35 0.00 0.00 0.22 2.02 0.12 0.17 112.91 115.80 1lnu h THR 75 Ca 0.71 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.89 1lnu h THR 75 Cb 1.56 0.00 0.00 0.00 -1.74 0.00 0.00 68.15 67.97 1lnu h THR 75 CO -0.59 0.00 0.00 0.29 0.37 0.00 0.00 175.52 175.59 1lnu n LYS 76 N -4.03 0.00 0.00 6.66 5.02 0.17 -1.02 118.16 124.96 1lnu n LYS 76 Ca -0.05 0.70 0.00 0.00 -2.02 0.00 0.00 58.31 56.93 1lnu n LYS 76 Cb 0.23 -1.43 0.00 0.00 -0.02 0.00 0.00 35.03 33.81 1lnu n LYS 76 CO 0.00 0.00 0.00 -2.13 -0.52 0.00 0.00 177.40 174.75 1lnu n ARG 77 N -2.29 0.00 -0.56 1.97 0.63 0.34 -0.62 116.66 116.13 1lnu n ARG 77 Ca 0.00 0.00 0.06 0.00 -0.92 0.00 0.00 57.85 57.00 1lnu n ARG 77 Cb 0.00 -1.99 0.19 0.00 0.45 0.00 0.00 32.46 31.11 1lnu n ARG 77 CO 0.00 0.00 0.00 0.45 -2.51 0.00 0.00 177.63 175.57 1lnu n SER 78 N -1.00 1.76 -2.86 6.15 2.88 0.60 -4.96 113.62 116.19 1lnu n SER 78 Ca 0.00 -3.73 -0.13 0.00 -1.33 0.00 0.00 58.87 53.68 1lnu n SER 78 Cb 0.50 -0.51 -0.01 0.00 -0.75 0.00 0.00 64.21 63.44 1lnu n SER 78 CO 0.00 0.00 0.00 -3.20 -1.23 0.00 0.00 175.04 170.61 1lnu n ASN 79 N -1.10 -2.66 -3.59 -3.46 2.85 0.21 -2.28 115.26 105.22 1lnu n ASN 79 Ca 0.18 0.04 -0.23 0.00 -0.11 0.00 0.00 54.58 54.47 1lnu n ASN 79 Cb 0.70 -2.30 0.05 0.00 1.24 0.00 0.00 39.78 39.47 1lnu n ASN 79 CO 0.00 0.00 0.00 -1.20 -2.11 0.00 0.00 177.26 173.95 1lnu n SER 80 N -1.87 -3.45 -4.63 1.20 7.64 -1.04 -4.97 113.62 106.49 1lnu n SER 80 Ca -0.04 -0.84 -0.42 0.00 1.01 0.00 0.00 58.87 58.57 1lnu n SER 80 Cb 0.54 -4.16 -0.04 0.00 -1.01 0.00 0.00 64.21 59.54 1lnu n SER 80 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 1lnu s THR 81 N -3.55 4.74 0.86 0.44 2.01 -0.97 -5.04 115.64 114.14 1lnu s THR 81 Ca 0.22 1.53 -0.11 0.00 0.31 0.00 0.00 61.69 63.65 1lnu s THR 81 Cb -0.06 -4.21 0.11 0.00 0.01 0.00 0.00 72.50 68.35 1lnu s THR 81 CO 0.81 -0.23 1.09 -2.16 -0.69 0.00 0.00 174.62 173.44 1lnu s PRO 82 N 3.09 1.56 0.12 4.92 0.04 -1.26 -5.02 135.00 138.45 1lnu s PRO 82 Ca 0.37 0.95 -0.22 0.00 0.04 0.00 0.00 61.00 62.14 1lnu s PRO 82 Cb -0.14 -1.83 -0.07 0.00 0.04 0.00 0.00 34.50 32.49 1lnu s PRO 82 CO 0.10 -2.06 0.66 0.00 0.04 0.00 0.00 177.00 175.74 1lnu s ALA 83 N -2.92 3.52 -0.05 8.56 0.00 -1.26 -5.05 121.76 124.56 1lnu s ALA 83 Ca 0.63 0.17 -0.25 0.00 0.00 0.00 0.00 51.96 52.51 1lnu s ALA 83 Cb -0.18 -2.77 -0.03 0.00 0.00 0.00 0.00 23.12 20.13 1lnu s ALA 83 CO 0.57 0.35 0.77 0.95 0.00 0.00 0.00 175.76 178.40 1lnu s THR 84 N -1.17 5.00 0.87 0.00 -4.23 -1.26 -5.00 115.64 109.84 1lnu s THR 84 Ca 0.33 1.60 -0.11 0.00 -1.18 0.00 0.00 61.69 62.33 1lnu s THR 84 Cb -0.21 -4.11 0.11 0.00 1.34 0.00 0.00 72.50 69.64 1lnu s THR 84 CO 0.22 0.22 1.10 0.20 -0.54 0.00 0.00 174.62 175.82 1lnu s ASN 85 N 0.86 3.63 0.10 3.99 -0.87 -1.26 -4.69 114.94 116.70 1lnu s ASN 85 Ca 0.41 1.77 -0.00 0.00 -1.57 0.00 0.00 52.86 53.47 1lnu s ASN 85 Cb -0.18 -2.41 -0.04 0.00 -0.02 0.00 0.00 41.25 38.60 1lnu s ASN 85 CO 0.20 -2.58 0.00 -1.61 -2.57 0.00 0.00 177.10 170.54 1lnu s GLU 86 N -4.83 0.81 -0.38 -0.60 0.41 -0.66 -4.99 118.70 108.46 1lnu s GLU 86 Ca 0.63 -1.35 -0.15 0.00 -0.41 0.00 0.00 54.97 53.69 1lnu s GLU 86 Cb -0.19 0.13 0.00 0.00 -1.78 0.00 0.00 34.13 32.29 1lnu s GLU 86 CO 0.57 -0.16 0.31 0.00 -0.49 0.00 0.00 175.26 175.49 1lnu s ALA 87 N -3.91 3.48 0.55 5.21 0.00 -1.26 -4.02 121.76 121.81 1lnu s ALA 87 Ca 0.16 -1.53 -0.15 0.00 0.00 0.00 0.00 51.96 50.44 1lnu s ALA 87 Cb 0.07 -2.83 -0.06 0.00 0.00 0.00 0.00 23.12 20.30 1lnu s ALA 87 CO -0.03 -1.28 1.01 -1.25 0.00 0.00 0.00 175.76 174.21 1lnu s PRO 88 N 1.79 3.76 0.01 0.00 0.04 -1.24 -4.90 135.00 134.47 1lnu s PRO 88 Ca 0.07 0.97 0.00 0.00 0.04 0.00 0.00 61.00 62.08 1lnu s PRO 88 Cb -0.18 -2.11 0.00 0.00 0.04 0.00 0.00 34.50 32.26 1lnu s PRO 88 CO 0.11 -0.43 0.02 1.04 0.04 0.00 0.00 177.00 177.78 1lnu n GLN 89 N -1.87 0.80 -3.58 4.56 6.02 -0.55 -4.96 117.38 117.80 1lnu n GLN 89 Ca 0.07 -0.05 -0.01 0.00 -0.01 0.00 0.00 57.00 56.99 1lnu n GLN 89 Cb 0.54 -0.01 -0.06 0.00 1.02 0.00 0.00 30.24 31.73 1lnu n GLN 89 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1lnu s ALA 90 N -2.39 -2.36 -0.06 -1.58 0.00 -1.26 -4.04 121.76 110.08 1lnu s ALA 90 Ca 0.01 2.18 -0.00 0.00 0.00 0.00 0.00 51.96 54.15 1lnu s ALA 90 Cb -0.00 -1.79 0.03 0.00 0.00 0.00 0.00 23.12 21.35 1lnu s ALA 90 CO 0.01 -0.54 -0.02 0.99 0.00 0.00 0.00 175.76 176.20 1lnu s THR 91 N 1.72 0.43 0.19 0.00 2.01 0.38 -4.97 115.64 115.39 1lnu s THR 91 Ca -0.07 0.02 0.06 0.00 0.31 0.00 0.00 61.69 62.01 1lnu s THR 91 Cb -0.05 -0.53 -0.04 0.00 0.01 0.00 0.00 72.50 71.89 1lnu s THR 91 CO -0.16 0.24 0.09 -0.69 -0.69 0.00 0.00 174.62 173.41 1lnu s VAL 92 N 1.49 4.18 0.00 3.82 1.01 -1.25 0.11 120.40 129.76 1lnu s VAL 92 Ca -0.02 -1.28 0.00 0.00 0.00 0.00 0.00 61.98 60.67 1lnu s VAL 92 Cb -0.13 -3.15 0.00 0.00 0.00 0.00 0.00 36.38 33.10 1lnu s VAL 92 CO -0.03 -0.16 0.00 2.22 0.00 0.00 0.00 175.10 177.13 1lnu n PHE 93 N -0.43 0.00 -2.52 5.22 -1.74 0.12 -4.97 117.46 113.13 1lnu n PHE 93 Ca -0.09 0.00 -0.40 0.00 -0.56 0.00 0.00 57.45 56.41 1lnu n PHE 93 Cb 0.56 0.00 -0.04 0.00 1.52 0.00 0.00 39.48 41.51 1lnu n PHE 93 CO 0.00 0.00 0.00 -1.25 -0.56 0.00 0.00 176.76 174.95 1lnu s PRO 94 N -1.58 4.60 0.12 3.97 0.04 -1.26 0.47 135.00 141.37 1lnu s PRO 94 Ca 0.00 1.72 -0.25 0.00 0.04 0.00 0.00 61.00 62.51 1lnu s PRO 94 Cb 0.00 -3.11 -0.05 0.00 0.04 0.00 0.00 34.50 31.38 1lnu s PRO 94 CO 0.00 0.21 1.64 -0.22 0.04 0.00 0.00 177.00 178.67 1lnu h LYS 95 N 3.67 -0.35 -5.40 4.56 3.64 0.18 -3.44 116.57 119.43 1lnu h LYS 95 Ca -0.47 0.02 -0.57 0.00 -1.27 0.00 0.00 60.65 58.37 1lnu h LYS 95 Cb 1.21 0.08 -0.13 0.00 -0.41 0.00 0.00 32.23 32.98 1lnu h LYS 95 CO 0.66 -0.23 -0.59 -1.54 -2.27 0.00 0.00 179.45 175.48 1lnu s SER 96 N -4.92 3.23 0.50 4.20 1.04 -1.26 -5.05 113.70 111.44 1lnu s SER 96 Ca -0.15 -1.42 -0.23 0.00 0.48 0.00 0.00 55.95 54.63 1lnu s SER 96 Cb 0.09 -0.11 -0.07 0.00 0.10 0.00 0.00 66.02 66.03 1lnu s SER 96 CO 0.66 -0.59 1.20 -0.81 0.98 0.00 0.00 173.24 174.69 1lnu n PRO 97 N -0.88 1.56 -2.08 4.02 -0.04 -1.26 -4.90 135.00 131.41 1lnu n PRO 97 Ca -0.05 0.57 -0.42 0.00 -0.04 0.00 0.00 63.50 63.55 1lnu n PRO 97 Cb 0.67 -2.36 -0.03 0.00 -0.04 0.00 0.00 33.50 31.74 1lnu n PRO 97 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 1lnu s VAL 98 N -1.31 3.21 -0.37 0.52 1.01 -1.26 -4.97 120.40 117.24 1lnu s VAL 98 Ca 0.68 0.77 0.03 0.00 0.00 0.00 0.00 61.98 63.46 1lnu s VAL 98 Cb -0.46 -3.50 0.15 0.00 0.00 0.00 0.00 36.38 32.57 1lnu s VAL 98 CO 0.53 0.03 0.36 -0.76 0.00 0.00 0.00 175.10 175.25 1lnu s LEU 99 N 1.81 0.06 0.08 3.92 1.02 -1.26 -5.13 118.68 119.18 1lnu s LEU 99 Ca 0.68 -1.64 -0.16 0.00 0.02 0.00 0.00 54.13 53.02 1lnu s LEU 99 Cb -0.37 0.45 -0.09 0.00 0.02 0.00 0.00 46.19 46.19 1lnu s LEU 99 CO 0.30 -0.27 0.33 0.18 0.02 0.00 0.00 176.35 176.91 1lnu n LEU 100 N 4.23 -0.53 0.00 1.79 4.77 -1.26 -0.99 117.00 125.01 1lnu n LEU 100 Ca 0.11 0.60 0.00 0.00 -0.03 0.00 0.00 56.01 56.69 1lnu n LEU 100 Cb 0.44 -0.50 0.00 0.00 -2.33 0.00 0.00 43.42 41.03 1lnu n LEU 100 CO 0.09 -1.46 0.00 0.61 -1.33 0.00 0.00 177.39 175.30 1lnu n GLY 101 N 1.00 2.03 3.68 -0.72 0.00 -0.28 -4.94 105.19 105.96 1lnu n GLY 101 Ca 0.10 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.71 1lnu n GLY 101 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1lnu s GLN 102 N 0.00 4.30 0.12 1.61 2.00 -0.17 -4.85 119.66 122.67 1lnu s GLN 102 Ca 0.00 0.85 -0.35 0.00 -2.00 0.00 0.00 55.36 53.86 1lnu s GLN 102 Cb 0.00 -3.55 -0.17 0.00 0.80 0.00 0.00 33.01 30.10 1lnu s GLN 102 CO 0.00 -0.21 1.20 -2.30 -0.50 0.00 0.00 175.29 173.48 1lnu n PRO 103 N 4.83 0.97 -3.92 1.67 -0.02 -1.26 -4.41 135.00 132.85 1lnu n PRO 103 Ca 0.01 0.35 -0.09 0.00 -2.02 0.00 0.00 63.50 61.75 1lnu n PRO 103 Cb 0.50 -1.88 -0.07 0.00 -0.02 0.00 0.00 33.50 32.02 1lnu n PRO 103 CO 0.00 0.00 0.00 1.21 1.98 0.00 0.00 175.50 178.69 1lnu s ASN 104 N 0.15 0.10 -0.15 2.55 3.84 -0.88 -5.04 114.94 115.52 1lnu s ASN 104 Ca 0.79 -0.79 0.02 0.00 0.21 0.00 0.00 52.86 53.09 1lnu s ASN 104 Cb -0.95 0.38 0.01 0.00 -0.55 0.00 0.00 41.25 40.14 1lnu s ASN 104 CO 0.51 -0.80 -0.19 -0.89 -2.79 0.00 0.00 177.10 172.94 1lnu s THR 105 N -3.92 2.32 -0.17 -5.21 2.01 -1.26 -1.39 115.64 108.02 1lnu s THR 105 Ca 0.12 -0.89 -0.18 0.00 0.31 0.00 0.00 61.69 61.04 1lnu s THR 105 Cb 0.04 -1.95 -0.04 0.00 0.01 0.00 0.00 72.50 70.57 1lnu s THR 105 CO -0.05 0.53 0.50 -0.22 -0.69 0.00 0.00 174.62 174.69 1lnu s LEU 106 N 0.82 4.19 -0.13 4.42 2.96 0.31 0.92 118.68 132.18 1lnu s LEU 106 Ca -0.06 0.72 -0.03 0.00 -0.22 0.00 0.00 54.13 54.54 1lnu s LEU 106 Cb -0.15 -2.70 -0.03 0.00 0.50 0.00 0.00 46.19 43.81 1lnu s LEU 106 CO -0.01 -0.11 -0.03 -0.63 -1.32 0.00 0.00 176.35 174.25 1lnu s ILE 107 N 1.25 4.01 -0.40 6.68 1.01 0.18 -0.77 121.20 133.16 1lnu s ILE 107 Ca 0.25 -0.33 0.01 0.00 0.00 0.00 0.00 60.65 60.57 1lnu s ILE 107 Cb -0.15 -2.73 0.11 0.00 0.01 0.00 0.00 42.46 39.70 1lnu s ILE 107 CO 0.10 0.53 0.15 0.00 0.00 0.00 0.00 174.94 175.72 1lnu s PHE 109 N 0.87 3.32 -0.16 0.00 5.36 0.30 -2.53 117.98 125.13 1lnu s PHE 109 Ca 0.11 1.11 -0.00 0.00 -0.96 0.00 0.00 56.93 57.18 1lnu s PHE 109 Cb -0.21 -3.02 -0.00 0.00 -0.34 0.00 0.00 43.02 39.44 1lnu s PHE 109 CO -0.06 -0.38 -0.14 0.08 -1.46 0.00 0.00 175.22 173.27 1lnu s VAL 110 N 2.74 2.76 0.28 3.12 1.01 -0.11 -0.47 120.40 129.73 1lnu s VAL 110 Ca 0.34 -0.74 0.09 0.00 0.00 0.00 0.00 61.98 61.67 1lnu s VAL 110 Cb -0.15 -2.17 -0.06 0.00 0.00 0.00 0.00 36.38 34.00 1lnu s VAL 110 CO 0.08 0.51 -0.12 -0.62 0.00 0.00 0.00 175.10 174.95 1lnu s ASP 111 N 0.82 3.14 -0.96 3.32 -1.08 -1.26 -0.78 116.67 119.88 1lnu s ASP 111 Ca -0.05 -1.12 -0.02 0.00 -0.52 0.00 0.00 52.55 50.84 1lnu s ASP 111 Cb -0.15 -0.23 0.00 0.00 -1.46 0.00 0.00 42.92 41.08 1lnu s ASP 111 CO 0.00 -0.18 0.82 -3.20 0.52 0.00 0.00 175.17 173.12 1lnu n ASN 112 N -0.60 -3.19 -4.77 -0.34 5.15 0.05 -1.49 115.26 110.07 1lnu n ASN 112 Ca -0.06 -0.45 -0.37 0.00 -0.60 0.00 0.00 54.58 53.10 1lnu n ASN 112 Cb 0.62 -4.02 -0.07 0.00 -0.53 0.00 0.00 39.78 35.79 1lnu n ASN 112 CO 0.00 0.00 0.00 -0.63 1.40 0.00 0.00 177.26 178.03 1lnu s ILE 113 N -3.26 5.27 -0.30 -1.44 1.01 0.22 -3.60 121.20 119.09 1lnu s ILE 113 Ca 0.16 0.58 -0.17 0.00 0.00 0.00 0.00 60.65 61.21 1lnu s ILE 113 Cb -0.07 -3.62 0.20 0.00 0.01 0.00 0.00 42.46 38.97 1lnu s ILE 113 CO 0.56 0.45 1.22 0.12 0.00 0.00 0.00 174.94 177.29 1lnu s PHE 114 N -0.03 -0.17 0.92 3.97 2.19 -1.26 -0.61 117.98 122.99 1lnu s PHE 114 Ca 0.18 0.32 -0.12 0.00 0.33 0.00 0.00 56.93 57.64 1lnu s PHE 114 Cb -0.14 0.10 0.14 0.00 -1.31 0.00 0.00 43.02 41.82 1lnu s PHE 114 CO 0.06 -0.09 1.10 -1.25 1.83 0.00 0.00 175.22 176.88 1lnu s PRO 115 N 1.52 1.08 -0.88 10.12 0.04 -1.26 -1.66 135.00 143.97 1lnu s PRO 115 Ca -0.05 0.56 -0.09 0.00 0.04 0.00 0.00 61.00 61.46 1lnu s PRO 115 Cb -0.02 -1.81 -0.07 0.00 0.04 0.00 0.00 34.50 32.64 1lnu s PRO 115 CO -0.13 -2.30 2.05 -0.35 0.04 0.00 0.00 177.00 176.31 1lnu n PRO 116 N -3.88 1.94 -3.42 0.56 -0.04 -1.26 -4.55 135.00 124.34 1lnu n PRO 116 Ca 0.06 -1.54 -0.21 0.00 -0.04 0.00 0.00 63.50 61.77 1lnu n PRO 116 Cb 0.57 -2.56 -0.10 0.00 -0.04 0.00 0.00 33.50 31.37 1lnu n PRO 116 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 1lnu s VAL 117 N 3.78 -0.23 0.08 0.52 1.01 -1.26 -5.11 120.40 119.19 1lnu s VAL 117 Ca 0.43 -0.90 0.02 0.00 0.00 0.00 0.00 61.98 61.53 1lnu s VAL 117 Cb 0.11 -0.91 -0.03 0.00 0.00 0.00 0.00 36.38 35.54 1lnu s VAL 117 CO 0.00 -0.64 -0.08 -0.51 0.00 0.00 0.00 175.10 173.87 1lnu s ILE 118 N 1.81 0.70 -0.15 2.22 2.07 -1.26 -4.58 121.20 122.01 1lnu s ILE 118 Ca 0.13 -1.60 0.02 0.00 -1.41 0.00 0.00 60.65 57.80 1lnu s ILE 118 Cb -0.16 -1.27 0.01 0.00 0.13 0.00 0.00 42.46 41.17 1lnu s ILE 118 CO -0.19 -0.64 -0.21 0.20 -1.91 0.00 0.00 174.94 172.18 1lnu s ASN 119 N -2.44 3.14 -0.16 4.50 0.01 -0.51 -5.01 114.94 114.47 1lnu s ASN 119 Ca 0.03 -0.60 0.00 0.00 -0.71 0.00 0.00 52.86 51.58 1lnu s ASN 119 Cb -0.01 -1.46 0.03 0.00 0.41 0.00 0.00 41.25 40.22 1lnu s ASN 119 CO -0.02 0.07 -0.13 -0.63 -1.51 0.00 0.00 177.10 174.88 1lnu s ILE 120 N 0.88 1.59 -0.05 0.60 1.01 -1.26 -1.32 121.20 122.64 1lnu s ILE 120 Ca -0.05 -0.75 0.04 0.00 0.00 0.00 0.00 60.65 59.89 1lnu s ILE 120 Cb -0.15 -1.55 -0.00 0.00 0.01 0.00 0.00 42.46 40.77 1lnu s ILE 120 CO -0.03 0.36 -0.18 0.42 0.00 0.00 0.00 174.94 175.51 1lnu s THR 121 N 1.46 1.49 0.08 2.92 -4.23 0.20 -4.96 115.64 112.61 1lnu s THR 121 Ca 0.03 -0.74 -0.29 0.00 -1.18 0.00 0.00 61.69 59.51 1lnu s THR 121 Cb -0.14 -1.29 -0.05 0.00 1.34 0.00 0.00 72.50 72.36 1lnu s THR 121 CO -0.10 0.43 0.92 0.26 -0.54 0.00 0.00 174.62 175.59 1lnu s TRP 122 N 0.09 3.78 -0.22 3.99 0.23 -1.26 0.96 118.94 126.51 1lnu s TRP 122 Ca -0.06 1.72 0.01 0.00 -2.03 0.00 0.00 56.10 55.74 1lnu s TRP 122 Cb -0.12 -3.01 0.05 0.00 0.03 0.00 0.00 33.47 30.41 1lnu s TRP 122 CO 0.03 0.19 -0.09 -0.51 0.96 0.00 0.00 176.95 177.53 1lnu s LEU 123 N 0.12 2.49 -0.77 2.99 1.43 0.00 -2.30 118.68 122.64 1lnu s LEU 123 Ca 0.46 -1.03 -0.14 0.00 -1.03 0.00 0.00 54.13 52.38 1lnu s LEU 123 Cb -0.22 -1.25 0.20 0.00 0.03 0.00 0.00 46.19 44.95 1lnu s LEU 123 CO 0.28 -0.18 0.72 -0.60 0.23 0.00 0.00 176.35 176.80 1lnu s ARG 124 N 1.36 3.49 -1.14 1.70 3.52 -1.26 0.62 118.95 127.24 1lnu s ARG 124 Ca -0.03 -2.32 -0.07 0.00 -0.13 0.00 0.00 55.73 53.18 1lnu s ARG 124 Cb -0.17 -4.40 0.01 0.00 -1.56 0.00 0.00 34.95 28.82 1lnu s ARG 124 CO -0.07 -1.30 0.90 0.09 -0.81 0.00 0.00 175.30 174.11 1lnu n ASN 125 N 4.21 -5.57 -2.78 -2.12 3.02 0.08 -3.31 115.26 108.79 1lnu n ASN 125 Ca 0.09 -0.41 -0.12 0.00 -0.03 0.00 0.00 54.58 54.11 1lnu n ASN 125 Cb 0.46 -4.21 0.06 0.00 -0.61 0.00 0.00 39.78 35.47 1lnu n ASN 125 CO 0.00 0.00 0.00 -1.20 -2.62 0.00 0.00 177.26 173.44 1lnu n SER 126 N -2.13 -3.92 -2.78 6.41 7.64 -1.26 -5.00 113.62 112.57 1lnu n SER 126 Ca -0.01 -0.49 -0.03 0.00 1.01 0.00 0.00 58.87 59.36 1lnu n SER 126 Cb 0.56 -3.92 0.05 0.00 -1.01 0.00 0.00 64.21 59.89 1lnu n SER 126 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 1lnu n LYS 127 N -2.99 1.55 -0.33 1.43 5.02 -1.21 -5.06 118.16 116.57 1lnu n LYS 127 Ca -0.12 -3.35 0.00 0.00 -2.02 0.00 0.00 58.31 52.82 1lnu n LYS 127 Cb 0.60 -1.43 0.00 0.00 -0.02 0.00 0.00 35.03 34.18 1lnu n LYS 127 CO 0.00 0.00 0.00 0.43 -0.52 0.00 0.00 177.40 177.31 1lnu n SER 128 N -0.48 0.00 -4.76 4.39 7.64 -1.26 -4.66 113.62 114.49 1lnu n SER 128 Ca 0.07 0.00 -0.38 0.00 1.01 0.00 0.00 58.87 59.56 1lnu n SER 128 Cb 0.81 0.00 -0.06 0.00 -1.01 0.00 0.00 64.21 63.95 1lnu n SER 128 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 1lnu s VAL 129 N 0.00 5.00 -0.21 0.44 0.11 -0.97 -5.03 120.40 119.74 1lnu s VAL 129 Ca 0.00 1.12 -0.03 0.00 -2.93 0.00 0.00 61.98 60.13 1lnu s VAL 129 Cb 0.00 -3.87 0.07 0.00 -1.53 0.00 0.00 36.38 31.05 1lnu s VAL 129 CO 0.00 0.41 0.07 0.00 -3.33 0.00 0.00 175.10 172.25 1lnu s ALA 130 N -0.06 0.86 0.00 1.54 0.00 -1.26 -4.43 121.76 118.40 1lnu s ALA 130 Ca 0.29 -0.76 0.00 0.00 0.00 0.00 0.00 51.96 51.49 1lnu s ALA 130 Cb -0.17 -1.22 0.00 0.00 0.00 0.00 0.00 23.12 21.73 1lnu s ALA 130 CO 0.15 -1.30 0.00 -0.40 0.00 0.00 0.00 175.76 174.21 1lnu n ASP 131 N 5.11 0.00 -0.14 0.00 5.68 -1.26 -4.94 116.55 121.01 1lnu n ASP 131 Ca -0.07 0.00 -0.02 0.00 -0.50 0.00 0.00 54.79 54.20 1lnu n ASP 131 Cb 0.46 0.00 -0.01 0.00 -1.14 0.00 0.00 41.12 40.44 1lnu n ASP 131 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1lnu n GLY 132 N -1.14 0.38 3.80 6.12 0.00 -1.26 -4.74 105.19 108.34 1lnu n GLY 132 Ca 0.00 -0.07 -0.36 0.00 0.00 0.00 0.00 46.02 45.59 1lnu n GLY 132 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1lnu s VAL 133 N -1.58 5.41 0.07 1.61 1.01 -1.26 -1.01 120.40 124.66 1lnu s VAL 133 Ca 0.00 0.18 0.03 0.00 0.00 0.00 0.00 61.98 62.19 1lnu s VAL 133 Cb 0.00 -3.41 -0.03 0.00 0.00 0.00 0.00 36.38 32.94 1lnu s VAL 133 CO 0.00 0.53 -0.08 -0.47 0.00 0.00 0.00 175.10 175.08 1lnu s TYR 134 N -0.34 0.84 0.03 5.22 5.04 0.41 -4.96 117.35 123.59 1lnu s TYR 134 Ca 0.11 -0.65 0.00 0.00 -2.44 0.00 0.00 57.07 54.10 1lnu s TYR 134 Cb -0.12 -0.49 -0.02 0.00 0.35 0.00 0.00 41.96 41.68 1lnu s TYR 134 CO 0.01 -0.08 -0.04 -2.00 -1.34 0.00 0.00 175.55 172.11 1lnu s GLU 135 N -2.47 0.39 0.39 4.97 2.12 -1.26 0.19 118.70 123.03 1lnu s GLU 135 Ca -0.00 -0.72 0.08 0.00 0.36 0.00 0.00 54.97 54.69 1lnu s GLU 135 Cb -0.04 0.05 -0.01 0.00 0.26 0.00 0.00 34.13 34.39 1lnu s GLU 135 CO -0.01 -0.04 0.45 0.95 -0.54 0.00 0.00 175.26 176.07 1lnu s THR 136 N -1.76 3.14 0.74 -1.70 -4.23 0.25 -4.99 115.64 107.09 1lnu s THR 136 Ca -0.12 -1.16 -0.11 0.00 -1.18 0.00 0.00 61.69 59.12 1lnu s THR 136 Cb -0.08 -3.09 0.03 0.00 1.34 0.00 0.00 72.50 70.70 1lnu s THR 136 CO -0.02 -0.05 1.08 -0.44 -0.54 0.00 0.00 174.62 174.65 1lnu s SER 137 N -4.20 4.91 0.27 3.99 0.01 -1.26 -4.55 113.70 112.87 1lnu s SER 137 Ca 0.49 1.73 -0.30 0.00 1.31 0.00 0.00 55.95 59.18 1lnu s SER 137 Cb -0.07 -2.51 -0.10 0.00 0.21 0.00 0.00 66.02 63.55 1lnu s SER 137 CO 0.30 -1.76 1.37 -0.36 0.41 0.00 0.00 173.24 173.21 1lnu s PHE 138 N -2.97 3.06 0.03 2.43 0.08 -1.26 -4.64 117.98 114.71 1lnu s PHE 138 Ca 0.60 1.19 -0.01 0.00 0.12 0.00 0.00 56.93 58.83 1lnu s PHE 138 Cb -0.16 -3.74 -0.04 0.00 -0.57 0.00 0.00 43.02 38.51 1lnu s PHE 138 CO 0.56 -2.27 0.17 -0.06 -0.10 0.00 0.00 175.22 173.51 1lnu s PHE 139 N -0.36 3.47 0.16 0.36 0.40 0.94 -4.91 117.98 118.04 1lnu s PHE 139 Ca 0.55 0.27 -0.30 0.00 -0.60 0.00 0.00 56.93 56.85 1lnu s PHE 139 Cb -0.40 -1.77 -0.07 0.00 0.51 0.00 0.00 43.02 41.29 1lnu s PHE 139 CO 0.46 0.60 0.98 0.08 0.70 0.00 0.00 175.22 178.04 1lnu s VAL 140 N -1.39 4.26 0.34 -0.44 1.01 -1.26 -2.25 120.40 120.67 1lnu s VAL 140 Ca 0.30 1.99 0.09 0.00 0.00 0.00 0.00 61.98 64.35 1lnu s VAL 140 Cb -0.13 -4.27 -0.05 0.00 0.00 0.00 0.00 36.38 31.93 1lnu s VAL 140 CO 0.22 0.36 0.04 0.20 0.00 0.00 0.00 175.10 175.93 1lnu s ASN 141 N -0.35 4.30 0.09 3.32 0.01 -0.96 -4.90 114.94 116.44 1lnu s ASN 141 Ca 0.46 -0.94 -0.28 0.00 -0.71 0.00 0.00 52.86 51.39 1lnu s ASN 141 Cb -0.25 -0.58 -0.14 0.00 0.41 0.00 0.00 41.25 40.69 1lnu s ASN 141 CO 0.32 -0.25 1.67 -0.09 -1.51 0.00 0.00 177.10 177.23 1lnu h ARG 142 N 1.74 -0.47 -0.92 -0.60 2.43 -1.97 -2.36 114.38 112.24 1lnu h ARG 142 Ca -0.43 0.03 0.00 0.00 -0.81 0.00 0.00 59.98 58.77 1lnu h ARG 142 Cb 1.25 0.11 0.00 0.00 -0.42 0.00 0.00 29.97 30.91 1lnu h ARG 142 CO 0.66 -0.31 0.00 -0.40 -1.51 0.00 0.00 179.97 178.41 1lnu n ASP 143 N -5.32 1.29 -1.46 -3.80 5.68 -1.26 -4.79 116.55 106.89 1lnu n ASP 143 Ca -0.09 -1.65 -0.19 0.00 -0.50 0.00 0.00 54.79 52.36 1lnu n ASP 143 Cb 0.24 -0.41 -0.08 0.00 -1.14 0.00 0.00 41.12 39.73 1lnu n ASP 143 CO 0.00 0.00 0.00 -1.22 -1.33 0.00 0.00 177.20 174.65 1lnu n TYR 144 N 0.23 -0.03 -2.38 2.11 4.02 -0.89 -4.98 117.16 115.23 1lnu n TYR 144 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.89 1lnu n TYR 144 Cb 0.26 -3.18 0.00 0.00 -0.02 0.00 0.00 39.34 36.40 1lnu n TYR 144 CO 0.00 0.00 0.00 -1.13 -1.01 0.00 0.00 176.86 174.72 1lnu n SER 145 N -1.03 0.00 -3.63 7.72 3.41 -1.26 -4.87 113.62 113.96 1lnu n SER 145 Ca -0.19 -0.70 -0.19 0.00 -0.26 0.00 0.00 58.87 57.53 1lnu n SER 145 Cb 0.62 0.00 -0.09 0.00 -0.26 0.00 0.00 64.21 64.48 1lnu n SER 145 CO 0.00 0.00 0.00 -0.36 -0.16 0.00 0.00 175.04 174.52 1lnu s PHE 146 N 0.99 1.66 -0.18 7.33 0.40 0.22 -2.27 117.98 126.13 1lnu s PHE 146 Ca 0.00 -1.55 -0.14 0.00 -0.60 0.00 0.00 56.93 54.64 1lnu s PHE 146 Cb 0.00 -0.76 0.05 0.00 0.51 0.00 0.00 43.02 42.82 1lnu s PHE 146 CO 0.00 -0.74 0.47 -3.38 0.70 0.00 0.00 175.22 172.27 1lnu s HIS 147 N -3.54 -0.58 0.31 0.36 -3.43 -0.95 0.70 115.29 108.16 1lnu s HIS 147 Ca 0.38 1.33 0.06 0.00 -0.80 0.00 0.00 55.06 56.03 1lnu s HIS 147 Cb 0.03 0.24 -0.06 0.00 -1.43 0.00 0.00 32.58 31.36 1lnu s HIS 147 CO 0.23 -0.30 -0.01 0.21 -2.00 0.00 0.00 174.74 172.87 1lnu s LYS 148 N 0.70 1.63 0.06 -0.38 2.20 0.04 -0.04 119.74 123.95 1lnu s LYS 148 Ca -0.04 -1.87 0.06 0.00 -0.36 0.00 0.00 55.97 53.76 1lnu s LYS 148 Cb -0.05 -1.11 -0.03 0.00 -1.51 0.00 0.00 37.83 35.14 1lnu s LYS 148 CO -0.05 -0.05 -0.16 -0.51 -0.36 0.00 0.00 175.35 174.22 1lnu s LEU 149 N -3.49 2.22 0.05 5.43 2.01 -1.26 -0.93 118.68 122.71 1lnu s LEU 149 Ca 0.32 -0.54 0.05 0.00 0.01 0.00 0.00 54.13 53.97 1lnu s LEU 149 Cb 0.06 -0.65 -0.02 0.00 0.01 0.00 0.00 46.19 45.59 1lnu s LEU 149 CO 0.14 0.01 -0.15 -0.55 1.01 0.00 0.00 176.35 176.82 1lnu s SER 150 N -1.43 1.72 -0.03 2.29 0.15 -1.05 -0.58 113.70 114.77 1lnu s SER 150 Ca 0.02 -0.50 0.04 0.00 0.70 0.00 0.00 55.95 56.20 1lnu s SER 150 Cb -0.09 -0.10 -0.01 0.00 -1.71 0.00 0.00 66.02 64.12 1lnu s SER 150 CO 0.02 0.01 -0.16 -0.31 1.20 0.00 0.00 173.24 174.01 1lnu s TYR 151 N -0.96 1.51 -0.25 3.44 1.51 0.49 -1.52 117.35 121.58 1lnu s TYR 151 Ca 0.01 -0.38 0.01 0.00 -1.01 0.00 0.00 57.07 55.70 1lnu s TYR 151 Cb -0.08 -1.01 0.04 0.00 -0.11 0.00 0.00 41.96 40.80 1lnu s TYR 151 CO 0.02 -0.11 -0.10 -1.17 -1.11 0.00 0.00 175.55 173.08 1lnu s LEU 152 N -0.08 3.24 -0.35 -1.29 0.20 0.05 -0.44 118.68 120.01 1lnu s LEU 152 Ca -0.00 -1.13 -0.25 0.00 0.69 0.00 0.00 54.13 53.43 1lnu s LEU 152 Cb -0.09 -1.59 0.01 0.00 -0.43 0.00 0.00 46.19 44.09 1lnu s LEU 152 CO 0.01 -0.16 0.89 -0.89 -0.29 0.00 0.00 176.35 175.92 1lnu s THR 153 N 1.21 4.64 0.30 3.68 2.01 -0.18 -0.53 115.64 126.77 1lnu s THR 153 Ca -0.04 1.19 0.04 0.00 0.31 0.00 0.00 61.69 63.20 1lnu s THR 153 Cb -0.18 -4.29 -0.03 0.00 0.01 0.00 0.00 72.50 68.01 1lnu s THR 153 CO -0.06 -0.46 0.22 0.72 -0.69 0.00 0.00 174.62 174.35 1lnu s PHE 154 N 3.33 1.59 -0.15 4.92 -0.71 -0.48 -4.84 117.98 121.64 1lnu s PHE 154 Ca 0.37 -1.53 0.00 0.00 -1.04 0.00 0.00 56.93 54.73 1lnu s PHE 154 Cb -0.13 -0.72 -0.00 0.00 -1.21 0.00 0.00 43.02 40.96 1lnu s PHE 154 CO 0.17 -0.73 -0.15 0.42 -1.34 0.00 0.00 175.22 173.59 1lnu s ILE 155 N -3.63 2.70 0.12 -4.49 1.01 -1.26 -2.07 121.20 113.58 1lnu s ILE 155 Ca 0.39 -0.76 -0.24 0.00 0.00 0.00 0.00 60.65 60.03 1lnu s ILE 155 Cb 0.04 -2.14 -0.07 0.00 0.01 0.00 0.00 42.46 40.30 1lnu s ILE 155 CO 0.22 0.52 0.73 -2.16 0.00 0.00 0.00 174.94 174.24 1lnu s PRO 156 N 0.77 4.48 -0.12 2.79 0.04 -1.26 -4.89 135.00 136.81 1lnu s PRO 156 Ca -0.06 1.05 -0.06 0.00 0.04 0.00 0.00 61.00 61.97 1lnu s PRO 156 Cb -0.15 -3.28 0.05 0.00 0.04 0.00 0.00 34.50 31.16 1lnu s PRO 156 CO 0.01 0.53 0.27 -1.12 0.04 0.00 0.00 177.00 176.73 1lnu s SER 157 N -0.93 -0.17 0.00 6.66 0.01 -1.26 -1.12 113.70 116.89 1lnu s SER 157 Ca 0.35 0.59 -0.00 0.00 1.31 0.00 0.00 55.95 58.19 1lnu s SER 157 Cb -0.22 0.52 -0.01 0.00 0.21 0.00 0.00 66.02 66.53 1lnu s SER 157 CO 0.24 -0.18 0.44 -0.90 0.41 0.00 0.00 173.24 173.25 1lnu n ASP 158 N 4.48 0.96 0.02 2.44 5.75 -1.26 -3.61 116.55 125.33 1lnu n ASP 158 Ca -0.21 -1.30 0.00 0.00 -0.01 0.00 0.00 54.79 53.27 1lnu n ASP 158 Cb 0.52 -0.21 0.00 0.00 -1.03 0.00 0.00 41.12 40.41 1lnu n ASP 158 CO 0.00 0.00 0.00 -0.90 -0.11 0.00 0.00 177.20 176.19 1lnu n ASP 159 N 2.02 -0.00 -4.63 -1.12 5.75 -1.26 -5.05 116.55 112.26 1lnu n ASP 159 Ca 0.01 0.07 -0.28 0.00 -0.01 0.00 0.00 54.79 54.58 1lnu n ASP 159 Cb 0.10 0.05 0.19 0.00 -1.03 0.00 0.00 41.12 40.43 1lnu n ASP 159 CO 0.00 0.00 0.00 1.51 -0.11 0.00 0.00 177.20 178.60 1lnu s ASP 160 N -4.30 2.26 0.29 -1.12 3.84 -1.24 -5.07 116.67 111.32 1lnu s ASP 160 Ca 0.00 1.17 0.02 0.00 -0.00 0.00 0.00 52.55 53.74 1lnu s ASP 160 Cb 0.00 -1.84 -0.03 0.00 -1.38 0.00 0.00 42.92 39.67 1lnu s ASP 160 CO 0.00 -3.36 0.29 0.27 -0.00 0.00 0.00 175.17 172.37 1lnu s ILE 161 N -2.91 0.00 0.21 2.11 -4.36 -1.26 -4.88 121.20 110.11 1lnu s ILE 161 Ca 0.66 -1.89 0.03 0.00 -0.26 0.00 0.00 60.65 59.20 1lnu s ILE 161 Cb -0.19 -2.51 -0.05 0.00 1.25 0.00 0.00 42.46 40.96 1lnu s ILE 161 CO 0.58 0.00 -0.01 -0.31 0.24 0.00 0.00 174.94 175.44 1lnu s TYR 162 N -3.61 1.46 -0.26 1.37 2.02 -1.11 -0.75 117.35 116.48 1lnu s TYR 162 Ca 0.37 -0.93 -0.04 0.00 -0.37 0.00 0.00 57.07 56.11 1lnu s TYR 162 Cb 0.03 -0.83 0.14 0.00 -0.40 0.00 0.00 41.96 40.90 1lnu s TYR 162 CO 0.21 -0.07 0.48 -0.51 -1.57 0.00 0.00 175.55 174.09 1lnu s ASP 163 N -3.26 -0.49 -0.22 2.29 1.01 0.20 -2.93 116.67 113.27 1lnu s ASP 163 Ca 0.26 0.71 -0.29 0.00 0.71 0.00 0.00 52.55 53.94 1lnu s ASP 163 Cb 0.05 1.60 0.00 0.00 1.01 0.00 0.00 42.92 45.59 1lnu s ASP 163 CO 0.07 -0.27 1.16 0.00 0.21 0.00 0.00 175.17 176.34 1lnu s LYS 165 N 3.46 3.55 -0.10 0.00 2.20 0.27 -2.19 119.74 126.92 1lnu s LYS 165 Ca 0.50 -0.47 0.02 0.00 -0.36 0.00 0.00 55.97 55.66 1lnu s LYS 165 Cb -0.18 -3.80 -0.01 0.00 -1.51 0.00 0.00 37.83 32.33 1lnu s LYS 165 CO 0.12 -0.50 -0.18 0.08 -0.36 0.00 0.00 175.35 174.51 1lnu s VAL 166 N 1.94 2.65 -0.06 4.02 1.01 -0.71 0.58 120.40 129.83 1lnu s VAL 166 Ca 0.10 -0.82 0.03 0.00 0.00 0.00 0.00 61.98 61.29 1lnu s VAL 166 Cb -0.17 -2.06 0.01 0.00 0.00 0.00 0.00 36.38 34.16 1lnu s VAL 166 CO 0.11 0.55 -0.13 -1.61 0.00 0.00 0.00 175.10 174.02 1lnu s GLU 167 N 0.15 1.65 -0.15 2.72 2.02 -0.44 -0.36 118.70 124.29 1lnu s GLU 167 Ca -0.10 -0.44 -0.18 0.00 0.02 0.00 0.00 54.97 54.27 1lnu s GLU 167 Cb -0.16 -1.39 0.05 0.00 0.10 0.00 0.00 34.13 32.73 1lnu s GLU 167 CO 0.06 0.08 0.48 -1.58 0.02 0.00 0.00 175.26 174.31 1lnu s HIS 168 N 0.48 -0.49 -1.25 1.61 2.46 -1.26 -1.42 115.29 115.42 1lnu s HIS 168 Ca -0.11 1.14 0.00 0.00 0.47 0.00 0.00 55.06 56.56 1lnu s HIS 168 Cb -0.14 0.19 0.00 0.00 -0.13 0.00 0.00 32.58 32.50 1lnu s HIS 168 CO 0.03 -0.30 0.74 0.91 -2.47 0.00 0.00 174.74 173.65 1lnu n TRP 169 N 2.45 0.00 1.19 3.88 8.01 -1.26 -0.32 117.44 131.39 1lnu n TRP 169 Ca -0.15 0.00 0.13 0.00 -1.31 0.00 0.00 57.50 56.17 1lnu n TRP 169 Cb 0.57 -0.27 0.30 0.00 -2.01 0.00 0.00 31.31 29.90 1lnu n TRP 169 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09 1lnu n GLY 170 N -1.24 -0.50 3.25 6.99 0.00 -1.26 -4.84 105.19 107.59 1lnu n GLY 170 Ca 0.00 -0.45 -0.32 0.00 0.00 0.00 0.00 46.02 45.24 1lnu n GLY 170 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 1lnu s LEU 171 N -2.51 2.28 0.29 0.99 0.05 0.57 -4.33 118.68 116.03 1lnu s LEU 171 Ca 0.23 -0.51 0.03 0.00 0.05 0.00 0.00 54.13 53.93 1lnu s LEU 171 Cb 0.19 -1.48 0.74 0.00 -2.05 0.00 0.00 46.19 43.58 1lnu s LEU 171 CO 0.54 0.13 1.65 1.05 -0.55 0.00 0.00 176.35 179.17 1lnu h GLU 172 N 6.92 0.20 -2.61 1.48 9.09 -1.88 -3.42 114.58 124.36 1lnu h GLU 172 Ca -0.25 -0.01 -0.10 0.00 0.05 0.00 0.00 59.36 59.05 1lnu h GLU 172 Cb 1.22 -0.05 -0.20 0.00 -1.65 0.00 0.00 28.75 28.07 1lnu h GLU 172 CO 0.52 0.13 -0.10 -1.83 0.05 0.00 0.00 179.01 177.79 1lnu s GLU 173 N -5.92 0.78 -0.01 1.06 -1.05 -1.26 -5.12 118.70 107.20 1lnu s GLU 173 Ca -0.12 0.10 -0.19 0.00 -0.15 0.00 0.00 54.97 54.61 1lnu s GLU 173 Cb 0.26 0.36 -0.09 0.00 -0.44 0.00 0.00 34.13 34.22 1lnu s GLU 173 CO 0.77 -0.21 0.51 -2.30 0.95 0.00 0.00 175.26 174.98 1lnu n PRO 174 N 1.39 0.00 -3.29 -4.83 -0.02 -1.26 -4.93 135.00 122.06 1lnu n PRO 174 Ca -0.19 0.00 -0.38 0.00 -2.02 0.00 0.00 63.50 60.90 1lnu n PRO 174 Cb 0.56 -0.71 -0.06 0.00 -0.02 0.00 0.00 33.50 33.27 1lnu n PRO 174 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1lnu s VAL 175 N 0.03 4.95 -0.26 -1.45 1.01 0.51 -4.91 120.40 120.28 1lnu s VAL 175 Ca 0.43 1.11 -0.01 0.00 0.00 0.00 0.00 61.98 63.51 1lnu s VAL 175 Cb -0.61 -3.86 0.03 0.00 0.00 0.00 0.00 36.38 31.94 1lnu s VAL 175 CO 0.27 0.46 -0.05 -0.22 0.00 0.00 0.00 175.10 175.56 1lnu s LEU 176 N -0.39 3.37 -0.34 3.92 2.96 -1.26 -1.73 118.68 125.21 1lnu s LEU 176 Ca 0.28 -0.99 -0.10 0.00 -0.22 0.00 0.00 54.13 53.10 1lnu s LEU 176 Cb -0.18 -1.67 0.01 0.00 0.50 0.00 0.00 46.19 44.85 1lnu s LEU 176 CO 0.16 -0.16 0.17 -0.75 -1.32 0.00 0.00 176.35 174.45 1lnu s LYS 177 N 1.30 3.11 -0.07 1.98 2.47 -0.93 -4.98 119.74 122.61 1lnu s LYS 177 Ca -0.02 -0.88 -0.13 0.00 -1.56 0.00 0.00 55.97 53.39 1lnu s LYS 177 Cb -0.18 -3.63 -0.05 0.00 -1.46 0.00 0.00 37.83 32.51 1lnu s LYS 177 CO -0.04 -0.54 0.32 -1.58 0.16 0.00 0.00 175.35 173.67 1lnu s HIS 178 N 1.58 3.64 0.00 4.03 5.65 -1.26 -1.57 115.29 127.36 1lnu s HIS 178 Ca 0.03 0.79 -0.00 0.00 0.25 0.00 0.00 55.06 56.13 1lnu s HIS 178 Cb -0.18 -2.22 -0.00 0.00 -1.18 0.00 0.00 32.58 29.00 1lnu s HIS 178 CO 0.06 0.57 -0.00 -0.46 -0.65 0.00 0.00 174.74 174.26 1lnu s TRP 179 N -0.70 0.06 -0.06 3.88 -0.00 -1.15 -5.01 118.94 115.95 1lnu s TRP 179 Ca 0.20 -0.11 -0.31 0.00 -0.00 0.00 0.00 56.10 55.88 1lnu s TRP 179 Cb -0.15 -0.04 0.07 0.00 -0.00 0.00 0.00 33.47 33.35 1lnu s TRP 179 CO 0.09 -0.05 0.69 -2.00 -0.00 0.00 0.00 176.95 175.68 1lnu s GLU 180 N -0.34 1.04 0.55 5.86 2.12 -1.26 -2.75 118.70 123.93 1lnu s GLU 180 Ca -0.04 0.30 0.32 0.00 0.36 0.00 0.00 54.97 55.92 1lnu s GLU 180 Cb -0.02 0.49 1.57 0.00 0.26 0.00 0.00 34.13 36.43 1lnu s GLU 180 CO -0.00 -0.31 2.09 -1.00 -0.54 0.00 0.00 175.26 175.49 1lnu h PRO 181 N 3.11 0.00 -0.02 4.30 0.13 -1.93 -3.51 132.00 134.08 1lnu h PRO 181 Ca -0.27 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.86 1lnu h PRO 181 Cb 1.14 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.27 1lnu h PRO 181 CO 0.37 0.08 0.00 0.39 -0.23 0.00 0.00 178.00 178.60