#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 -4.89 120.64 116.55 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 -2.41 0.00 0.62 0.00 -1.26 -5.11 121.76 113.60 1lnu s ALA 3 Ca 0.00 1.99 0.00 0.00 0.00 0.00 0.00 51.96 53.95 1lnu s ALA 3 Cb 0.00 -1.82 0.00 0.00 0.00 0.00 0.00 23.12 21.30 1lnu s ALA 3 CO 0.00 -0.28 0.00 -0.25 0.00 0.00 0.00 175.76 175.23 1lnu n ASP 4 N 2.93 0.00 -4.77 0.00 8.00 -1.26 -4.73 116.55 116.73 1lnu n ASP 4 Ca -0.16 0.00 -0.38 0.00 0.71 0.00 0.00 54.79 54.96 1lnu n ASP 4 Cb 0.57 0.00 -0.06 0.00 -0.02 0.00 0.00 41.12 41.61 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 3.67 -0.10 1.24 3.76 -1.26 -5.06 115.29 117.54 1lnu s HIS 5 Ca 0.00 1.78 0.00 0.00 -0.15 0.00 0.00 55.06 56.69 1lnu s HIS 5 Cb 0.00 -3.04 0.02 0.00 1.11 0.00 0.00 32.58 30.67 1lnu s HIS 5 CO 0.00 -0.02 -0.09 0.54 -0.85 0.00 0.00 174.74 174.33 1lnu s VAL 6 N -1.43 1.04 -0.31 -0.90 0.11 -1.26 -5.07 120.40 112.57 1lnu s VAL 6 Ca 0.48 -0.33 -0.08 0.00 -2.93 0.00 0.00 61.98 59.12 1lnu s VAL 6 Cb -0.23 -1.02 0.01 0.00 -1.53 0.00 0.00 36.38 33.60 1lnu s VAL 6 CO 0.30 0.36 0.12 -0.83 -3.33 0.00 0.00 175.10 171.72 1lnu s GLY 7 N 1.40 1.83 -0.33 6.54 0.00 -1.26 -2.27 107.32 113.23 1lnu s GLY 7 Ca -0.01 -1.47 -0.12 0.00 0.00 0.00 0.00 44.72 43.12 1lnu s GLY 7 CO -0.05 0.69 0.22 -1.59 0.00 0.00 0.00 173.10 172.37 1lnu s THR 8 N 1.54 5.08 0.20 0.90 2.01 0.25 -5.02 115.64 120.60 1lnu s THR 8 Ca 0.03 -0.30 0.06 0.00 0.31 0.00 0.00 61.69 61.79 1lnu s THR 8 Cb -0.17 -3.62 -0.05 0.00 0.01 0.00 0.00 72.50 68.67 1lnu s THR 8 CO 0.04 -0.00 -0.11 -0.31 -0.69 0.00 0.00 174.62 173.56 1lnu s TYR 9 N 1.69 1.57 -1.57 4.92 2.02 -1.26 0.87 117.35 125.58 1lnu s TYR 9 Ca 0.06 -0.69 0.00 0.00 -0.37 0.00 0.00 57.07 56.07 1lnu s TYR 9 Cb -0.17 -0.79 0.00 0.00 -0.40 0.00 0.00 41.96 40.60 1lnu s TYR 9 CO 0.09 0.21 0.00 0.41 -1.57 0.00 0.00 175.55 174.70 1lnu n GLY 10 N -0.34 0.53 3.60 0.71 0.00 -1.23 -4.86 105.19 103.60 1lnu n GLY 10 Ca -0.08 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.50 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 -2.88 0.42 -4.06 -0.61 5.41 -0.02 -4.85 119.36 112.76 1lnu n ILE 11 Ca -0.18 -0.38 -0.33 0.00 1.00 0.00 0.00 62.75 62.86 1lnu n ILE 11 Cb 0.59 -2.43 -0.15 0.00 -0.71 0.00 0.00 39.64 36.94 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 7.42 3.71 0.01 4.38 0.01 -1.26 -0.81 113.70 127.16 1lnu s SER 12 Ca 0.99 -0.81 0.08 0.00 1.31 0.00 0.00 55.95 57.52 1lnu s SER 12 Cb -0.41 -1.55 -0.02 0.00 0.21 0.00 0.00 66.02 64.25 1lnu s SER 12 CO 0.38 -0.06 -0.25 -0.69 0.41 0.00 0.00 173.24 173.03 1lnu s VAL 13 N 1.28 1.99 -0.12 3.43 1.01 -0.42 -5.02 120.40 122.55 1lnu s VAL 13 Ca 0.01 -1.18 -0.11 0.00 0.00 0.00 0.00 61.98 60.70 1lnu s VAL 13 Cb -0.15 -1.68 0.03 0.00 0.00 0.00 0.00 36.38 34.58 1lnu s VAL 13 CO -0.09 0.46 0.32 -0.47 0.00 0.00 0.00 175.10 175.32 1lnu s TYR 14 N -0.68 -0.36 -0.15 5.22 5.04 -1.26 -1.47 117.35 123.70 1lnu s TYR 14 Ca 0.10 0.87 0.01 0.00 -2.44 0.00 0.00 57.07 55.61 1lnu s TYR 14 Cb -0.10 0.12 0.02 0.00 0.35 0.00 0.00 41.96 42.35 1lnu s TYR 14 CO 0.00 -0.17 -0.19 -0.65 -1.34 0.00 0.00 175.55 173.21 1lnu s GLN 15 N 0.17 2.73 0.00 4.97 -0.21 0.56 -4.98 119.66 122.90 1lnu s GLN 15 Ca -0.00 -0.74 -0.01 0.00 0.02 0.00 0.00 55.36 54.63 1lnu s GLN 15 Cb -0.02 -2.32 -0.00 0.00 1.00 0.00 0.00 33.01 31.67 1lnu s GLN 15 CO 0.00 -0.13 1.01 1.03 -2.12 0.00 0.00 175.29 175.09 1lnu h SER 16 N 7.67 -0.04 -2.16 5.90 0.87 -1.98 -2.87 113.55 120.93 1lnu h SER 16 Ca -0.37 0.01 -0.53 0.00 -1.23 0.00 0.00 61.79 59.66 1lnu h SER 16 Cb 1.16 0.02 -0.02 0.00 -0.44 0.00 0.00 62.40 63.12 1lnu h SER 16 CO 0.56 -0.01 1.39 -2.16 -0.53 0.00 0.00 176.83 176.08 1lnu s PRO 17 N -3.06 2.83 0.00 2.24 0.04 -1.26 -2.73 135.00 133.05 1lnu s PRO 17 Ca -0.00 1.16 0.00 0.00 0.04 0.00 0.00 61.00 62.20 1lnu s PRO 17 Cb 0.00 -4.35 0.00 0.00 0.04 0.00 0.00 34.50 30.19 1lnu s PRO 17 CO 0.01 -2.47 0.00 0.41 0.04 0.00 0.00 177.00 175.00 1lnu n GLY 18 N 5.66 0.95 4.24 0.56 0.00 -1.26 -4.70 105.19 110.64 1lnu n GLY 18 Ca 0.25 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.96 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 0.21 -4.58 1.61 4.64 -1.10 -4.88 116.55 112.45 1lnu n ASP 19 Ca 0.00 -1.19 -0.40 0.00 -1.38 0.00 0.00 54.79 51.81 1lnu n ASP 19 Cb 0.00 -2.04 -0.08 0.00 -1.04 0.00 0.00 41.12 37.96 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 -4.14 5.10 0.12 5.18 1.01 -1.11 -4.93 121.20 122.42 1lnu s ILE 20 Ca 0.10 0.43 0.06 0.00 0.00 0.00 0.00 60.65 61.25 1lnu s ILE 20 Cb -0.06 -3.84 -0.04 0.00 0.01 0.00 0.00 42.46 38.54 1lnu s ILE 20 CO 0.97 -0.04 -0.16 -0.83 0.00 0.00 0.00 174.94 174.88 1lnu s GLY 21 N 1.69 1.11 -0.13 6.18 0.00 -1.26 -0.33 107.32 114.59 1lnu s GLY 21 Ca 0.17 -1.27 -0.06 0.00 0.00 0.00 0.00 44.72 43.55 1lnu s GLY 21 CO 0.11 -1.31 0.30 1.62 0.00 0.00 0.00 173.10 173.82 1lnu s GLN 22 N -2.43 0.25 -0.18 2.90 0.74 -0.54 -4.94 119.66 115.46 1lnu s GLN 22 Ca 0.08 0.65 0.01 0.00 0.05 0.00 0.00 55.36 56.15 1lnu s GLN 22 Cb -0.07 -0.06 0.03 0.00 1.10 0.00 0.00 33.01 34.01 1lnu s GLN 22 CO 0.04 -0.18 -0.15 -0.47 -0.55 0.00 0.00 175.29 173.98 1lnu s TYR 23 N 1.52 2.49 0.05 1.67 6.14 -1.26 -1.30 117.35 126.65 1lnu s TYR 23 Ca -0.08 -1.52 -0.00 0.00 0.64 0.00 0.00 57.07 56.11 1lnu s TYR 23 Cb -0.10 -1.73 -0.03 0.00 0.42 0.00 0.00 41.96 40.52 1lnu s TYR 23 CO -0.10 -0.75 -0.04 0.95 0.64 0.00 0.00 175.55 176.26 1lnu s THR 24 N 1.38 0.30 -0.11 4.34 -4.23 0.01 -1.69 115.64 115.63 1lnu s THR 24 Ca 0.02 -1.54 0.03 0.00 -1.18 0.00 0.00 61.69 59.02 1lnu s THR 24 Cb -0.14 -1.15 0.01 0.00 1.34 0.00 0.00 72.50 72.56 1lnu s THR 24 CO -0.10 -0.80 -0.20 -0.36 -0.54 0.00 0.00 174.62 172.62 1lnu s PHE 25 N -3.03 2.36 0.16 3.99 0.40 -1.06 -0.84 117.98 119.96 1lnu s PHE 25 Ca 0.01 -1.09 0.10 0.00 -0.60 0.00 0.00 56.93 55.34 1lnu s PHE 25 Cb 0.01 -1.62 -0.04 0.00 0.51 0.00 0.00 43.02 41.88 1lnu s PHE 25 CO -0.06 -0.50 -0.21 -1.21 0.70 0.00 0.00 175.22 173.94 1lnu s GLU 26 N 0.71 1.34 -0.11 0.44 2.02 0.25 -0.73 118.70 122.62 1lnu s GLU 26 Ca -0.11 -1.40 -0.04 0.00 0.02 0.00 0.00 54.97 53.44 1lnu s GLU 26 Cb -0.16 -1.57 0.06 0.00 0.10 0.00 0.00 34.13 32.56 1lnu s GLU 26 CO 0.02 0.34 0.22 0.12 0.02 0.00 0.00 175.26 175.98 1lnu s PHE 27 N -1.66 -0.32 -1.42 1.61 5.36 0.27 -0.58 117.98 121.24 1lnu s PHE 27 Ca 0.15 0.81 -0.04 0.00 -0.96 0.00 0.00 56.93 56.90 1lnu s PHE 27 Cb -0.08 -0.11 0.00 0.00 -0.34 0.00 0.00 43.02 42.50 1lnu s PHE 27 CO 0.07 -0.30 0.33 -0.25 -1.46 0.00 0.00 175.22 173.61 1lnu n ASP 28 N 5.16 -0.47 0.00 6.13 8.00 -0.96 -0.33 116.55 134.08 1lnu n ASP 28 Ca -0.09 -1.11 0.00 0.00 0.71 0.00 0.00 54.79 54.30 1lnu n ASP 28 Cb 0.50 -2.54 0.00 0.00 -0.02 0.00 0.00 41.12 39.06 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 -2.16 0.72 3.39 0.44 0.00 -1.26 -5.00 105.19 101.32 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 -2.66 3.62 -0.23 1.61 1.01 0.55 -5.07 116.67 115.49 1lnu s ASP 30 Ca 0.00 -0.33 -0.29 0.00 0.71 0.00 0.00 52.55 52.64 1lnu s ASP 30 Cb 0.00 -0.78 -0.01 0.00 1.01 0.00 0.00 42.92 43.15 1lnu s ASP 30 CO 0.00 0.31 1.28 -0.70 0.21 0.00 0.00 175.17 176.26 1lnu s GLU 31 N -0.51 4.07 0.10 8.23 2.12 -1.26 0.97 118.70 132.42 1lnu s GLU 31 Ca 0.07 1.45 -0.12 0.00 0.36 0.00 0.00 54.97 56.73 1lnu s GLU 31 Cb -0.11 -3.82 -0.16 0.00 0.26 0.00 0.00 34.13 30.29 1lnu s GLU 31 CO 0.01 -0.91 1.27 -0.07 -0.54 0.00 0.00 175.26 175.02 1lnu h LEU 32 N 10.30 0.88 0.00 2.70 3.38 -1.26 -3.41 115.31 127.89 1lnu h LEU 32 Ca -0.26 -0.63 0.00 0.00 0.09 0.00 0.00 57.88 57.08 1lnu h LEU 32 Cb 1.10 -0.26 0.00 0.00 0.09 0.00 0.00 40.66 41.59 1lnu h LEU 32 CO 1.00 1.43 0.00 2.22 0.09 0.00 0.00 178.44 183.18 1lnu n PHE 33 N -3.89 0.00 -4.08 1.13 1.16 -1.20 -3.38 117.46 107.20 1lnu n PHE 33 Ca -0.08 0.00 -0.12 0.00 -1.87 0.00 0.00 57.45 55.38 1lnu n PHE 33 Cb 0.80 0.00 -0.11 0.00 -1.61 0.00 0.00 39.48 38.56 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 0.68 -0.29 2.97 1.13 0.47 -2.55 117.35 117.76 1lnu s TYR 34 Ca 0.00 -0.64 -0.11 0.00 -1.41 0.00 0.00 57.07 54.91 1lnu s TYR 34 Cb 0.00 -0.41 -0.04 0.00 -1.10 0.00 0.00 41.96 40.41 1lnu s TYR 34 CO 0.00 -0.13 0.18 0.08 -2.51 0.00 0.00 175.55 173.17 1lnu s VAL 35 N -2.10 5.10 0.12 -3.49 1.01 -0.68 -0.16 120.40 120.19 1lnu s VAL 35 Ca -0.04 0.01 -0.31 0.00 0.00 0.00 0.00 61.98 61.64 1lnu s VAL 35 Cb -0.05 -3.47 -0.09 0.00 0.00 0.00 0.00 36.38 32.77 1lnu s VAL 35 CO -0.02 0.21 1.54 -0.62 0.00 0.00 0.00 175.10 176.21 1lnu s ASP 36 N 1.72 6.66 0.09 3.32 -1.08 -0.25 -4.48 116.67 122.64 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 -2.58 -0.19 0.00 -1.46 0.00 0.00 42.92 38.52 1lnu s ASP 36 CO 0.09 -0.80 1.14 -0.07 0.52 0.00 0.00 175.17 176.06 1lnu h LEU 37 N 7.36 0.00 0.04 -1.34 3.38 -1.92 -1.83 115.31 121.00 1lnu h LEU 37 Ca -0.42 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.55 1lnu h LEU 37 Cb 1.20 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.95 1lnu h LEU 37 CO 0.91 0.95 -0.02 -0.78 0.09 0.00 0.00 178.44 179.59 1lnu h ASP 38 N 0.00 -0.05 -0.12 -0.43 3.58 -1.98 -3.30 116.42 114.12 1lnu h ASP 38 Ca -0.07 0.00 0.03 0.00 0.42 0.00 0.00 57.03 57.41 1lnu h ASP 38 Cb 1.79 0.01 -0.00 0.00 1.72 0.00 0.00 39.33 42.85 1lnu h ASP 38 CO 0.11 0.12 0.15 0.50 -2.88 0.00 0.00 179.24 177.23 1lnu h LYS 39 N -0.36 0.00 -5.05 0.28 1.63 -1.98 -3.46 116.57 107.63 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 0.05 0.00 0.16 0.00 -0.60 0.00 0.00 32.23 31.84 1lnu h LYS 39 CO 0.01 0.00 -0.70 1.63 -3.45 0.00 0.00 179.45 176.94 1lnu n LYS 40 N -3.70 -1.87 -3.66 1.90 5.02 -0.73 -5.04 118.16 110.09 1lnu n LYS 40 Ca -0.00 0.74 -0.15 0.00 -2.02 0.00 0.00 58.31 56.89 1lnu n LYS 40 Cb 0.25 -5.13 -0.08 0.00 -0.02 0.00 0.00 35.03 30.05 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 -4.14 0.77 0.06 1.97 -1.05 -0.95 -4.88 118.70 110.48 1lnu s GLU 41 Ca 0.38 0.34 -0.31 0.00 -0.15 0.00 0.00 54.97 55.23 1lnu s GLU 41 Cb -0.05 0.36 -0.06 0.00 -0.44 0.00 0.00 34.13 33.95 1lnu s GLU 41 CO 0.62 -0.18 1.25 0.99 0.95 0.00 0.00 175.26 178.89 1lnu s THR 42 N -0.60 3.88 -0.21 1.83 2.01 -1.26 -1.09 115.64 120.20 1lnu s THR 42 Ca -0.07 1.33 0.02 0.00 0.31 0.00 0.00 61.69 63.28 1lnu s THR 42 Cb -0.03 -3.86 0.03 0.00 0.01 0.00 0.00 72.50 68.66 1lnu s THR 42 CO 0.05 0.09 -0.16 -0.69 -0.69 0.00 0.00 174.62 173.21 1lnu s VAL 43 N 1.27 2.08 0.25 3.82 1.01 0.77 -4.94 120.40 124.66 1lnu s VAL 43 Ca 0.60 -1.18 -0.09 0.00 0.00 0.00 0.00 61.98 61.31 1lnu s VAL 43 Cb -0.31 -2.00 -0.07 0.00 0.00 0.00 0.00 36.38 34.01 1lnu s VAL 43 CO 0.29 0.33 0.55 0.26 0.00 0.00 0.00 175.10 176.53 1lnu s TRP 44 N 1.23 3.44 -0.02 5.22 0.52 -1.26 -0.39 118.94 127.67 1lnu s TRP 44 Ca -0.00 0.83 -0.03 0.00 0.02 0.00 0.00 56.10 56.92 1lnu s TRP 44 Cb -0.16 -2.23 -0.27 0.00 -1.15 0.00 0.00 33.47 29.66 1lnu s TRP 44 CO -0.10 0.24 0.75 1.98 0.02 0.00 0.00 176.95 179.84 1lnu h MET 45 N 2.33 0.24 -4.22 4.98 4.05 -1.79 -3.41 114.93 117.12 1lnu h MET 45 Ca -0.47 -0.42 -0.74 0.00 -0.28 0.00 0.00 59.70 57.79 1lnu h MET 45 Cb 1.17 0.15 -0.27 0.00 -0.80 0.00 0.00 31.60 31.86 1lnu h MET 45 CO 0.68 1.09 -0.32 -0.51 0.23 0.00 0.00 176.91 178.08 1lnu s LEU 46 N -6.93 5.86 0.52 3.39 1.02 -1.26 -4.94 118.68 116.34 1lnu s LEU 46 Ca -0.11 -1.79 0.24 0.00 0.02 0.00 0.00 54.13 52.49 1lnu s LEU 46 Cb 0.07 -2.11 1.36 0.00 0.02 0.00 0.00 46.19 45.53 1lnu s LEU 46 CO 0.84 -0.75 1.99 1.55 0.02 0.00 0.00 176.35 180.00 1lnu h PRO 47 N 8.66 0.04 -0.75 1.29 0.13 -1.98 0.14 132.00 139.52 1lnu h PRO 47 Ca -0.26 -0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 64.87 1lnu h PRO 47 Cb 1.09 -0.01 -0.04 0.00 0.13 0.00 0.00 31.00 32.17 1lnu h PRO 47 CO 0.93 0.02 0.47 1.05 -0.23 0.00 0.00 178.00 180.24 1lnu h GLU 48 N 0.04 1.01 -0.63 0.86 9.09 -1.98 -2.13 114.58 120.84 1lnu h GLU 48 Ca 0.26 -0.08 0.04 0.00 0.05 0.00 0.00 59.36 59.62 1lnu h GLU 48 Cb 0.97 -0.22 -0.05 0.00 -1.65 0.00 0.00 28.75 27.81 1lnu h GLU 48 CO -0.01 0.70 0.37 0.74 0.05 0.00 0.00 179.01 180.86 1lnu h PHE 49 N 1.02 0.68 -0.31 2.06 -1.00 -1.14 -2.00 116.94 116.25 1lnu h PHE 49 Ca 0.27 0.02 0.04 0.00 2.81 0.00 0.00 57.97 61.11 1lnu h PHE 49 Cb -0.06 -0.22 -0.02 0.00 3.61 0.00 0.00 35.95 39.27 1lnu h PHE 49 CO -0.01 0.37 0.21 0.78 -1.61 0.00 0.00 178.31 178.04 1lnu h GLY 50 N 0.71 0.28 2.00 -1.45 0.00 -0.90 -0.57 103.07 103.14 1lnu h GLY 50 Ca 0.26 -0.10 0.00 0.00 0.00 0.00 0.00 47.33 47.50 1lnu h GLY 50 CO -0.13 0.08 0.00 -1.06 0.00 0.00 0.00 176.54 175.43 1lnu n GLN 51 N -4.49 0.16 -0.00 4.80 1.13 -0.76 -3.55 117.38 114.67 1lnu n GLN 51 Ca 0.03 0.26 0.05 0.00 -1.94 0.00 0.00 57.00 55.40 1lnu n GLN 51 Cb 0.20 -1.74 -0.07 0.00 0.11 0.00 0.00 30.24 28.74 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 -2.03 0.02 -4.15 1.08 4.77 -0.52 -5.03 117.00 111.12 1lnu n LEU 52 Ca 0.04 -0.02 -0.11 0.00 -0.03 0.00 0.00 56.01 55.89 1lnu n LEU 52 Cb 0.31 0.00 -0.10 0.00 -2.33 0.00 0.00 43.42 41.30 1lnu n LEU 52 CO 0.24 0.00 -0.39 0.00 -1.33 0.00 0.00 177.39 175.92 1lnu s ALA 53 N -2.63 0.91 0.10 -1.18 0.00 -0.34 -5.12 121.76 113.51 1lnu s ALA 53 Ca -0.03 -1.26 -0.02 0.00 0.00 0.00 0.00 51.96 50.65 1lnu s ALA 53 Cb 0.06 0.14 -0.03 0.00 0.00 0.00 0.00 23.12 23.29 1lnu s ALA 53 CO 0.39 -0.20 0.05 -1.54 0.00 0.00 0.00 175.76 174.46 1lnu s SER 54 N -2.82 0.34 -0.13 0.00 1.04 -1.26 -4.44 113.70 106.43 1lnu s SER 54 Ca 0.08 -1.07 -0.08 0.00 0.48 0.00 0.00 55.95 55.37 1lnu s SER 54 Cb 0.03 0.28 0.05 0.00 0.10 0.00 0.00 66.02 66.47 1lnu s SER 54 CO -0.04 -0.70 0.32 0.12 0.98 0.00 0.00 173.24 173.93 1lnu s PHE 55 N -3.98 -0.44 -0.38 5.02 5.36 -1.26 -5.12 117.98 117.19 1lnu s PHE 55 Ca 0.16 0.99 -0.29 0.00 -0.96 0.00 0.00 56.93 56.83 1lnu s PHE 55 Cb 0.07 0.14 0.01 0.00 -0.34 0.00 0.00 43.02 42.90 1lnu s PHE 55 CO -0.04 -0.26 1.34 0.34 -1.46 0.00 0.00 175.22 175.14 1lnu s ASP 56 N 1.12 6.50 0.55 6.13 2.15 -1.26 -4.68 116.67 127.18 1lnu s ASP 56 Ca -0.08 0.92 0.31 0.00 0.43 0.00 0.00 52.55 54.13 1lnu s ASP 56 Cb -0.08 -2.54 1.47 0.00 -0.30 0.00 0.00 42.92 41.47 1lnu s ASP 56 CO -0.09 -1.28 1.88 -0.65 -0.17 0.00 0.00 175.17 174.86 1lnu h PRO 57 N 10.00 0.00 0.00 4.34 0.11 -1.94 -0.74 132.00 143.77 1lnu h PRO 57 Ca -0.26 0.00 -0.03 0.00 0.11 0.00 0.00 66.00 65.82 1lnu h PRO 57 Cb 1.10 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.20 1lnu h PRO 57 CO 1.07 0.00 -0.15 -0.56 -0.21 0.00 0.00 178.00 178.16 1lnu h GLN 58 N 0.00 0.00 -0.66 1.05 -0.00 -1.91 -2.57 115.11 111.02 1lnu h GLN 58 Ca 0.38 0.00 -0.02 0.00 -0.00 0.00 0.00 58.65 59.01 1lnu h GLN 58 Cb 1.62 0.00 -0.03 0.00 -0.00 0.00 0.00 27.48 29.07 1lnu h GLN 58 CO -0.00 0.15 0.35 0.78 -0.00 0.00 0.00 178.83 180.10 1lnu h GLY 59 N 1.29 1.01 0.82 0.06 0.00 -1.53 0.05 103.07 104.77 1lnu h GLY 59 Ca -0.00 -0.48 -0.05 0.00 0.00 0.00 0.00 47.33 46.80 1lnu h GLY 59 CO 0.02 0.45 -0.05 -1.33 0.00 0.00 0.00 176.54 175.63 1lnu h GLY 60 N 0.91 0.46 0.81 4.60 0.00 -1.61 -2.10 103.07 106.15 1lnu h GLY 60 Ca 0.23 -0.38 0.04 0.00 0.00 0.00 0.00 47.33 47.22 1lnu h GLY 60 CO -0.03 0.35 0.47 1.41 0.00 0.00 0.00 176.54 178.74 1lnu h LEU 61 N 0.16 0.77 -1.36 3.11 3.38 -1.32 -2.04 115.31 118.00 1lnu h LEU 61 Ca 0.06 0.01 0.08 0.00 0.09 0.00 0.00 57.88 58.11 1lnu h LEU 61 Cb 0.51 -0.16 -0.05 0.00 0.09 0.00 0.00 40.66 41.05 1lnu h LEU 61 CO 0.02 0.51 0.50 -0.61 0.09 0.00 0.00 178.44 178.96 1lnu h GLN 62 N 0.91 0.72 0.00 1.13 4.15 -0.82 -2.33 115.11 118.87 1lnu h GLN 62 Ca 0.32 -0.04 -0.22 0.00 0.77 0.00 0.00 58.65 59.48 1lnu h GLN 62 Cb 0.08 -0.16 -0.03 0.00 0.21 0.00 0.00 27.48 27.57 1lnu h GLN 62 CO -0.14 0.48 -1.09 -0.97 -1.93 0.00 0.00 178.83 175.18 1lnu h ASN 63 N 0.74 0.00 -0.65 -0.69 -1.24 -0.76 -3.21 115.58 109.78 1lnu h ASN 63 Ca 0.34 0.00 -0.08 0.00 0.71 0.00 0.00 56.30 57.27 1lnu h ASN 63 Cb 0.36 0.00 -0.03 0.00 0.73 0.00 0.00 38.32 39.39 1lnu h ASN 63 CO -0.12 0.96 0.09 0.40 -1.29 0.00 0.00 177.43 177.47 1lnu h ILE 64 N 0.00 1.26 -0.54 2.57 1.08 -0.85 0.30 117.51 121.33 1lnu h ILE 64 Ca -0.06 -1.04 0.07 0.00 -0.39 0.00 0.00 64.86 63.44 1lnu h ILE 64 Cb 1.78 0.68 -0.06 0.00 -3.07 0.00 0.00 36.82 36.15 1lnu h ILE 64 CO 0.12 0.39 0.23 0.00 -0.69 0.00 0.00 178.15 178.20 1lnu h ALA 65 N 1.03 0.69 0.42 1.87 0.00 -1.52 1.84 119.26 123.59 1lnu h ALA 65 Ca 0.20 0.05 -0.02 0.00 0.00 0.00 0.00 54.91 55.13 1lnu h ALA 65 Cb 0.45 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.24 1lnu h ALA 65 CO 0.01 -0.14 -0.20 0.28 0.00 0.00 0.00 179.25 179.20 1lnu h VAL 66 N 0.45 0.57 -0.67 0.00 2.07 -1.44 0.34 116.25 117.56 1lnu h VAL 66 Ca 0.26 -0.31 0.11 0.00 0.82 0.00 0.00 66.70 67.58 1lnu h VAL 66 Cb 0.24 0.72 -0.08 0.00 -1.52 0.00 0.00 31.29 30.65 1lnu h VAL 66 CO -0.22 0.06 0.27 0.58 0.02 0.00 0.00 177.57 178.28 1lnu h VAL 67 N -0.74 0.75 -0.05 2.57 2.07 -0.38 0.28 116.25 120.75 1lnu h VAL 67 Ca -0.06 -0.16 0.02 0.00 0.82 0.00 0.00 66.70 67.32 1lnu h VAL 67 Cb 0.52 0.25 -0.02 0.00 -1.52 0.00 0.00 31.29 30.53 1lnu h VAL 67 CO 0.09 0.08 -0.05 0.50 0.02 0.00 0.00 177.57 178.22 1lnu h LYS 68 N 0.46 -0.06 0.22 1.57 3.64 0.31 -1.08 116.57 121.64 1lnu h LYS 68 Ca 0.35 0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 59.72 1lnu h LYS 68 Cb 0.45 0.01 -0.00 0.00 -0.41 0.00 0.00 32.23 32.28 1lnu h LYS 68 CO -0.33 -0.04 -0.17 1.25 -2.27 0.00 0.00 179.45 177.89 1lnu h HIS 69 N -0.06 -0.47 -1.50 1.91 2.76 0.13 -2.86 115.15 115.05 1lnu h HIS 69 Ca 0.04 -0.00 0.49 0.00 -2.20 0.00 0.00 60.37 58.70 1lnu h HIS 69 Cb 0.11 0.18 -0.12 0.00 1.55 0.00 0.00 27.41 29.12 1lnu h HIS 69 CO -0.14 -0.24 1.00 0.09 -1.30 0.00 0.00 177.93 177.34 1lnu n ASN 70 N -3.35 0.16 0.36 3.26 4.13 0.84 -1.31 115.26 119.35 1lnu n ASN 70 Ca -0.05 1.28 -0.15 0.00 1.68 0.00 0.00 54.58 57.35 1lnu n ASN 70 Cb 0.17 -0.63 -0.07 0.00 -1.54 0.00 0.00 39.78 37.71 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 -0.80 -0.97 3.41 5.85 -0.96 -2.29 115.31 119.54 1lnu h LEU 71 Ca 0.88 0.03 0.16 0.00 0.84 0.00 0.00 57.88 59.79 1lnu h LEU 71 Cb 3.02 0.21 -0.16 0.00 0.37 0.00 0.00 40.66 44.09 1lnu h LEU 71 CO -0.35 -0.46 -0.35 1.23 -0.34 0.00 0.00 178.44 178.16 1lnu h GLY 72 N -1.17 0.23 0.00 3.75 0.00 -1.17 0.35 103.07 105.06 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 0.16 -0.25 0.00 -0.62 0.00 0.00 0.00 176.54 175.83 1lnu n VAL 73 N -5.51 0.00 -0.36 4.60 0.31 -1.12 0.29 118.33 116.54 1lnu n VAL 73 Ca 0.11 1.41 0.26 0.00 -0.01 0.00 0.00 64.34 66.11 1lnu n VAL 73 Cb 0.42 -2.15 0.52 0.00 -0.91 0.00 0.00 33.84 31.72 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 0.44 0.19 7.52 -0.00 -0.71 1.04 115.31 123.80 1lnu h LEU 74 Ca 0.00 0.14 -0.00 0.00 -0.00 0.00 0.00 57.88 58.01 1lnu h LEU 74 Cb 0.00 0.08 -0.01 0.00 -0.00 0.00 0.00 40.66 40.73 1lnu h LEU 74 CO 0.00 -0.05 -0.21 0.74 -0.00 0.00 0.00 178.44 178.93 1lnu h THR 75 N 0.31 0.00 0.00 0.22 2.02 0.69 0.15 112.91 116.30 1lnu h THR 75 Ca 0.70 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.88 1lnu h THR 75 Cb 1.79 0.00 0.00 0.00 -1.74 0.00 0.00 68.15 68.20 1lnu h THR 75 CO -0.44 0.00 0.00 0.29 0.37 0.00 0.00 175.52 175.74 1lnu n LYS 76 N -3.58 0.00 0.00 6.66 5.02 0.21 -1.03 118.16 125.43 1lnu n LYS 76 Ca -0.05 0.70 0.00 0.00 -2.02 0.00 0.00 58.31 56.94 1lnu n LYS 76 Cb 0.19 -1.42 0.00 0.00 -0.02 0.00 0.00 35.03 33.77 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 -2.28 0.00 -0.38 1.97 0.63 0.30 -0.53 116.66 116.37 1lnu n ARG 77 Ca 0.00 0.01 0.07 0.00 -0.92 0.00 0.00 57.85 57.01 1lnu n ARG 77 Cb 0.00 -1.97 0.18 0.00 0.45 0.00 0.00 32.46 31.12 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 -0.98 2.17 -2.17 6.15 2.88 0.51 -4.96 113.62 117.22 1lnu n SER 78 Ca 0.00 -3.50 -0.12 0.00 -1.33 0.00 0.00 58.87 53.92 1lnu n SER 78 Cb 0.47 -0.50 -0.02 0.00 -0.75 0.00 0.00 64.21 63.42 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 -1.22 -3.74 -3.58 -3.46 2.85 0.31 -2.50 115.26 103.91 1lnu n ASN 79 Ca 0.19 0.22 -0.22 0.00 -0.11 0.00 0.00 54.58 54.67 1lnu n ASN 79 Cb 0.71 -3.26 0.05 0.00 1.24 0.00 0.00 39.78 38.52 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 -1.45 -3.12 -4.64 1.20 7.64 -1.05 -4.97 113.62 107.22 1lnu n SER 80 Ca -0.14 -0.82 -0.42 0.00 1.01 0.00 0.00 58.87 58.50 1lnu n SER 80 Cb 0.56 -4.25 -0.04 0.00 -1.01 0.00 0.00 64.21 59.47 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 4.77 0.87 0.44 2.01 -1.04 -5.04 115.64 114.11 1lnu s THR 81 Ca 0.18 1.64 -0.12 0.00 0.31 0.00 0.00 61.69 63.70 1lnu s THR 81 Cb -0.05 -4.18 0.11 0.00 0.01 0.00 0.00 72.50 68.39 1lnu s THR 81 CO 0.80 -0.15 1.10 -2.16 -0.69 0.00 0.00 174.62 173.52 1lnu s PRO 82 N 3.00 1.46 0.07 4.92 0.04 -1.26 -5.02 135.00 138.20 1lnu s PRO 82 Ca 0.37 0.74 -0.21 0.00 0.04 0.00 0.00 61.00 61.94 1lnu s PRO 82 Cb -0.15 -1.84 -0.07 0.00 0.04 0.00 0.00 34.50 32.49 1lnu s PRO 82 CO 0.08 -2.08 0.62 0.00 0.04 0.00 0.00 177.00 175.66 1lnu s ALA 83 N -3.01 3.53 -0.03 8.56 0.00 -1.26 -5.05 121.76 124.50 1lnu s ALA 83 Ca 0.63 0.11 -0.26 0.00 0.00 0.00 0.00 51.96 52.43 1lnu s ALA 83 Cb -0.17 -2.73 -0.04 0.00 0.00 0.00 0.00 23.12 20.18 1lnu s ALA 83 CO 0.56 0.31 0.81 0.95 0.00 0.00 0.00 175.76 178.39 1lnu s THR 84 N -0.87 4.94 0.83 0.00 -4.23 -1.26 -5.00 115.64 110.06 1lnu s THR 84 Ca 0.31 1.69 -0.10 0.00 -1.18 0.00 0.00 61.69 62.40 1lnu s THR 84 Cb -0.20 -4.15 0.09 0.00 1.34 0.00 0.00 72.50 69.58 1lnu s THR 84 CO 0.20 0.23 1.11 0.20 -0.54 0.00 0.00 174.62 175.82 1lnu s ASN 85 N 0.77 3.92 0.15 3.99 -0.87 -1.26 -4.71 114.94 116.93 1lnu s ASN 85 Ca 0.43 1.89 0.03 0.00 -1.57 0.00 0.00 52.86 53.64 1lnu s ASN 85 Cb -0.19 -2.50 -0.04 0.00 -0.02 0.00 0.00 41.25 38.49 1lnu s ASN 85 CO 0.22 -2.42 -0.04 -1.61 -2.57 0.00 0.00 177.10 170.68 1lnu s GLU 86 N -4.83 1.04 -0.34 -0.60 0.41 -0.67 -4.98 118.70 108.72 1lnu s GLU 86 Ca 0.63 -1.47 -0.13 0.00 -0.41 0.00 0.00 54.97 53.60 1lnu s GLU 86 Cb -0.19 -0.37 -0.01 0.00 -1.78 0.00 0.00 34.13 31.78 1lnu s GLU 86 CO 0.57 -0.04 0.24 0.00 -0.49 0.00 0.00 175.26 175.53 1lnu s ALA 87 N -3.54 3.47 0.54 5.21 0.00 -1.26 -4.01 121.76 122.17 1lnu s ALA 87 Ca 0.19 -1.43 -0.13 0.00 0.00 0.00 0.00 51.96 50.59 1lnu s ALA 87 Cb 0.05 -2.66 -0.06 0.00 0.00 0.00 0.00 23.12 20.45 1lnu s ALA 87 CO 0.01 -1.03 0.98 -1.25 0.00 0.00 0.00 175.76 174.47 1lnu s PRO 88 N 1.70 3.78 0.05 0.00 0.04 -1.24 -4.90 135.00 134.43 1lnu s PRO 88 Ca 0.06 0.80 0.00 0.00 0.04 0.00 0.00 61.00 61.90 1lnu s PRO 88 Cb -0.18 -2.15 0.01 0.00 0.04 0.00 0.00 34.50 32.23 1lnu s PRO 88 CO 0.10 -0.36 0.06 1.04 0.04 0.00 0.00 177.00 177.88 1lnu n GLN 89 N -2.04 0.82 -3.59 4.56 6.02 -0.62 -4.95 117.38 117.58 1lnu n GLN 89 Ca 0.06 -0.22 -0.02 0.00 -0.01 0.00 0.00 57.00 56.81 1lnu n GLN 89 Cb 0.54 -0.03 -0.06 0.00 1.02 0.00 0.00 30.24 31.71 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 -2.32 -2.35 -0.05 -1.58 0.00 -1.26 -4.00 121.76 110.20 1lnu s ALA 90 Ca 0.05 2.19 0.00 0.00 0.00 0.00 0.00 51.96 54.19 1lnu s ALA 90 Cb -0.00 -1.78 0.03 0.00 0.00 0.00 0.00 23.12 21.36 1lnu s ALA 90 CO 0.03 -0.52 -0.02 0.99 0.00 0.00 0.00 175.76 176.25 1lnu s THR 91 N 1.68 0.37 0.19 0.00 2.01 0.62 -4.98 115.64 115.52 1lnu s THR 91 Ca -0.07 0.02 0.07 0.00 0.31 0.00 0.00 61.69 62.02 1lnu s THR 91 Cb -0.05 -0.46 -0.04 0.00 0.01 0.00 0.00 72.50 71.97 1lnu s THR 91 CO -0.16 0.21 0.05 -0.69 -0.69 0.00 0.00 174.62 173.34 1lnu s VAL 92 N 1.29 3.94 -0.29 3.82 1.01 -1.26 0.11 120.40 129.02 1lnu s VAL 92 Ca -0.06 -1.39 -0.27 0.00 0.00 0.00 0.00 61.98 60.26 1lnu s VAL 92 Cb -0.13 -3.02 0.19 0.00 0.00 0.00 0.00 36.38 33.42 1lnu s VAL 92 CO -0.02 -0.16 1.40 0.72 0.00 0.00 0.00 175.10 177.04 1lnu s PHE 93 N -1.84 -0.04 0.34 5.22 -0.71 0.10 -4.98 117.98 116.07 1lnu s PHE 93 Ca 0.29 0.09 -0.27 0.00 -1.04 0.00 0.00 56.93 56.01 1lnu s PHE 93 Cb -0.09 0.49 -0.09 0.00 -1.21 0.00 0.00 43.02 42.12 1lnu s PHE 93 CO 0.20 -0.03 1.05 -1.25 -1.34 0.00 0.00 175.22 173.86 1lnu s PRO 94 N -0.54 4.42 0.11 1.99 0.04 -1.26 0.29 135.00 140.04 1lnu s PRO 94 Ca 0.08 1.60 -0.26 0.00 0.04 0.00 0.00 61.00 62.47 1lnu s PRO 94 Cb -0.03 -2.85 -0.08 0.00 0.04 0.00 0.00 34.50 31.58 1lnu s PRO 94 CO -0.12 0.06 1.66 -0.22 0.04 0.00 0.00 177.00 178.43 1lnu h LYS 95 N 3.14 -0.36 -5.42 4.56 3.64 0.11 -3.45 116.57 118.79 1lnu h LYS 95 Ca -0.47 0.02 -0.53 0.00 -1.27 0.00 0.00 60.65 58.40 1lnu h LYS 95 Cb 1.21 0.08 -0.14 0.00 -0.41 0.00 0.00 32.23 32.98 1lnu h LYS 95 CO 0.65 -0.24 -0.61 -1.54 -2.27 0.00 0.00 179.45 175.43 1lnu s SER 96 N -4.89 2.96 0.45 4.20 1.04 -1.26 -5.05 113.70 111.14 1lnu s SER 96 Ca -0.15 -1.35 -0.24 0.00 0.48 0.00 0.00 55.95 54.69 1lnu s SER 96 Cb 0.08 -0.21 -0.10 0.00 0.10 0.00 0.00 66.02 65.90 1lnu s SER 96 CO 0.66 -0.51 1.05 -0.81 0.98 0.00 0.00 173.24 174.61 1lnu n PRO 97 N -0.77 1.40 -2.07 4.02 -0.04 -1.26 -4.89 135.00 131.38 1lnu n PRO 97 Ca -0.04 0.51 -0.42 0.00 -0.04 0.00 0.00 63.50 63.51 1lnu n PRO 97 Cb 0.66 -2.13 -0.03 0.00 -0.04 0.00 0.00 33.50 31.97 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 -1.29 3.26 -0.36 0.52 1.01 -1.26 -4.97 120.40 117.30 1lnu s VAL 98 Ca 0.64 0.77 0.02 0.00 0.00 0.00 0.00 61.98 63.41 1lnu s VAL 98 Cb -0.53 -3.49 0.15 0.00 0.00 0.00 0.00 36.38 32.51 1lnu s VAL 98 CO 0.56 0.02 0.34 -0.22 0.00 0.00 0.00 175.10 175.80 1lnu s LEU 99 N 2.07 0.05 0.08 3.92 2.96 -1.26 -5.13 118.68 121.37 1lnu s LEU 99 Ca 0.68 -1.56 -0.15 0.00 -0.22 0.00 0.00 54.13 52.89 1lnu s LEU 99 Cb -0.37 0.43 -0.09 0.00 0.50 0.00 0.00 46.19 46.66 1lnu s LEU 99 CO 0.30 -0.28 0.32 0.18 -1.32 0.00 0.00 176.35 175.54 1lnu n LEU 100 N 4.35 -0.50 0.00 -0.68 4.77 -1.26 -1.01 117.00 122.67 1lnu n LEU 100 Ca 0.10 0.57 0.00 0.00 -0.03 0.00 0.00 56.01 56.64 1lnu n LEU 100 Cb 0.44 -0.47 0.00 0.00 -2.33 0.00 0.00 43.42 41.06 1lnu n LEU 100 CO 0.08 -1.38 0.00 0.61 -1.33 0.00 0.00 177.39 175.37 1lnu n GLY 101 N 0.95 2.03 3.67 -0.72 0.00 -0.13 -4.94 105.19 106.05 1lnu n GLY 101 Ca 0.09 0.00 -0.40 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 4.28 0.14 1.61 2.00 -0.18 -4.85 119.66 122.65 1lnu s GLN 102 Ca 0.00 0.78 -0.34 0.00 -2.00 0.00 0.00 55.36 53.80 1lnu s GLN 102 Cb 0.00 -3.55 -0.17 0.00 0.80 0.00 0.00 33.01 30.09 1lnu s GLN 102 CO 0.00 -0.21 1.10 -2.30 -0.50 0.00 0.00 175.29 173.37 1lnu n PRO 103 N 4.89 0.84 -3.86 1.67 -0.02 -1.26 -4.42 135.00 132.84 1lnu n PRO 103 Ca 0.00 0.30 -0.09 0.00 -2.02 0.00 0.00 63.50 61.69 1lnu n PRO 103 Cb 0.50 -1.76 -0.07 0.00 -0.02 0.00 0.00 33.50 32.15 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 -0.06 0.05 -0.14 2.55 3.84 -0.86 -5.04 114.94 115.28 1lnu s ASN 104 Ca 0.76 -0.67 0.02 0.00 0.21 0.00 0.00 52.86 53.19 1lnu s ASN 104 Cb -0.94 0.39 0.01 0.00 -0.55 0.00 0.00 41.25 40.15 1lnu s ASN 104 CO 0.53 -0.80 -0.21 -0.89 -2.79 0.00 0.00 177.10 172.94 1lnu s THR 105 N -3.88 2.17 -0.17 -5.21 2.01 -1.26 -1.50 115.64 107.78 1lnu s THR 105 Ca 0.08 -0.94 -0.20 0.00 0.31 0.00 0.00 61.69 60.94 1lnu s THR 105 Cb 0.04 -1.87 -0.03 0.00 0.01 0.00 0.00 72.50 70.65 1lnu s THR 105 CO -0.08 0.54 0.58 -0.22 -0.69 0.00 0.00 174.62 174.76 1lnu s LEU 106 N 0.80 4.18 -0.15 4.42 2.96 0.33 0.86 118.68 132.09 1lnu s LEU 106 Ca -0.07 0.82 -0.06 0.00 -0.22 0.00 0.00 54.13 54.60 1lnu s LEU 106 Cb -0.16 -2.83 -0.04 0.00 0.50 0.00 0.00 46.19 43.67 1lnu s LEU 106 CO -0.01 -0.19 0.05 -0.63 -1.32 0.00 0.00 176.35 174.24 1lnu s ILE 107 N 1.55 4.72 -0.40 6.68 1.01 0.14 -0.58 121.20 134.32 1lnu s ILE 107 Ca 0.28 -0.07 0.04 0.00 0.00 0.00 0.00 60.65 60.89 1lnu s ILE 107 Cb -0.16 -3.08 0.11 0.00 0.01 0.00 0.00 42.46 39.34 1lnu s ILE 107 CO 0.11 0.52 0.13 0.00 0.00 0.00 0.00 174.94 175.70 1lnu s PHE 109 N 0.53 3.36 -0.15 0.00 5.36 0.30 -2.62 117.98 124.76 1lnu s PHE 109 Ca 0.13 1.15 0.00 0.00 -0.96 0.00 0.00 56.93 57.25 1lnu s PHE 109 Cb -0.21 -3.00 -0.00 0.00 -0.34 0.00 0.00 43.02 39.46 1lnu s PHE 109 CO -0.05 -0.32 -0.15 0.08 -1.46 0.00 0.00 175.22 173.32 1lnu s VAL 110 N 2.48 2.73 0.33 3.12 1.01 -0.26 -0.28 120.40 129.54 1lnu s VAL 110 Ca 0.35 -0.75 0.08 0.00 0.00 0.00 0.00 61.98 61.66 1lnu s VAL 110 Cb -0.16 -2.15 -0.06 0.00 0.00 0.00 0.00 36.38 34.01 1lnu s VAL 110 CO 0.09 0.51 -0.06 -0.62 0.00 0.00 0.00 175.10 175.02 1lnu s ASP 111 N 0.77 3.39 -1.18 3.32 -1.08 -1.26 -0.99 116.67 119.65 1lnu s ASP 111 Ca -0.06 -1.23 -0.00 0.00 -0.52 0.00 0.00 52.55 50.74 1lnu s ASP 111 Cb -0.15 -0.29 0.00 0.00 -1.46 0.00 0.00 42.92 41.02 1lnu s ASP 111 CO 0.01 -0.29 0.98 -3.20 0.52 0.00 0.00 175.17 173.18 1lnu n ASN 112 N -0.75 -2.13 -4.78 -0.34 5.15 -0.02 -1.59 115.26 110.80 1lnu n ASN 112 Ca -0.05 -0.60 -0.36 0.00 -0.60 0.00 0.00 54.58 52.96 1lnu n ASN 112 Cb 0.64 -5.02 -0.07 0.00 -0.53 0.00 0.00 39.78 34.80 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 -3.35 5.35 -0.30 -1.44 1.01 0.22 -3.62 121.20 119.07 1lnu s ILE 113 Ca 0.01 0.41 -0.16 0.00 0.00 0.00 0.00 60.65 60.91 1lnu s ILE 113 Cb -0.01 -3.55 0.18 0.00 0.01 0.00 0.00 42.46 39.10 1lnu s ILE 113 CO 0.71 0.48 1.14 0.12 0.00 0.00 0.00 174.94 177.39 1lnu s PHE 114 N -0.09 -0.31 0.92 3.97 2.19 -1.26 -0.57 117.98 122.83 1lnu s PHE 114 Ca 0.15 0.59 -0.12 0.00 0.33 0.00 0.00 56.93 57.87 1lnu s PHE 114 Cb -0.13 0.18 0.14 0.00 -1.31 0.00 0.00 43.02 41.91 1lnu s PHE 114 CO 0.04 -0.15 1.12 -1.25 1.83 0.00 0.00 175.22 176.81 1lnu s PRO 115 N 1.47 1.06 -0.83 10.12 0.04 -1.26 -1.66 135.00 143.94 1lnu s PRO 115 Ca -0.06 0.38 -0.08 0.00 0.04 0.00 0.00 61.00 61.27 1lnu s PRO 115 Cb -0.03 -1.82 -0.07 0.00 0.04 0.00 0.00 34.50 32.62 1lnu s PRO 115 CO -0.13 -2.27 2.00 -0.35 0.04 0.00 0.00 177.00 176.29 1lnu n PRO 116 N -3.83 1.85 -3.43 0.56 -0.04 -1.26 -4.56 135.00 124.29 1lnu n PRO 116 Ca 0.06 -1.46 -0.22 0.00 -0.04 0.00 0.00 63.50 61.84 1lnu n PRO 116 Cb 0.58 -2.50 -0.10 0.00 -0.04 0.00 0.00 33.50 31.44 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 -0.17 0.07 0.52 1.01 -1.26 -5.11 120.40 119.24 1lnu s VAL 117 Ca 0.40 -1.05 0.02 0.00 0.00 0.00 0.00 61.98 61.36 1lnu s VAL 117 Cb 0.10 -0.92 -0.03 0.00 0.00 0.00 0.00 36.38 35.53 1lnu s VAL 117 CO -0.01 -0.70 -0.08 -0.51 0.00 0.00 0.00 175.10 173.81 1lnu s ILE 118 N 1.64 0.68 -0.17 2.22 2.07 -1.26 -4.58 121.20 121.79 1lnu s ILE 118 Ca 0.14 -1.45 0.00 0.00 -1.41 0.00 0.00 60.65 57.93 1lnu s ILE 118 Cb -0.17 -1.09 0.00 0.00 0.13 0.00 0.00 42.46 41.33 1lnu s ILE 118 CO -0.14 -0.56 -0.16 0.20 -1.91 0.00 0.00 174.94 172.37 1lnu s ASN 119 N -2.19 3.55 -0.20 4.50 0.01 -0.54 -5.01 114.94 115.06 1lnu s ASN 119 Ca -0.00 -0.52 0.01 0.00 -0.71 0.00 0.00 52.86 51.64 1lnu s ASN 119 Cb -0.04 -1.55 0.04 0.00 0.41 0.00 0.00 41.25 40.10 1lnu s ASN 119 CO -0.01 0.04 -0.15 -0.63 -1.51 0.00 0.00 177.10 174.84 1lnu s ILE 120 N 1.06 1.94 -0.06 0.60 1.01 -1.26 -1.27 121.20 123.23 1lnu s ILE 120 Ca -0.01 -1.12 0.04 0.00 0.00 0.00 0.00 60.65 59.57 1lnu s ILE 120 Cb -0.14 -1.90 -0.00 0.00 0.01 0.00 0.00 42.46 40.42 1lnu s ILE 120 CO -0.05 0.29 -0.19 0.42 0.00 0.00 0.00 174.94 175.41 1lnu s THR 121 N 1.28 1.62 0.04 2.92 -4.23 0.20 -4.95 115.64 112.52 1lnu s THR 121 Ca -0.00 -0.80 -0.29 0.00 -1.18 0.00 0.00 61.69 59.41 1lnu s THR 121 Cb -0.16 -1.40 -0.04 0.00 1.34 0.00 0.00 72.50 72.24 1lnu s THR 121 CO -0.09 0.46 0.95 0.26 -0.54 0.00 0.00 174.62 175.65 1lnu s TRP 122 N 0.16 3.71 -0.22 3.99 0.23 -1.26 0.98 118.94 126.53 1lnu s TRP 122 Ca -0.08 1.70 0.01 0.00 -2.03 0.00 0.00 56.10 55.70 1lnu s TRP 122 Cb -0.14 -3.06 0.05 0.00 0.03 0.00 0.00 33.47 30.34 1lnu s TRP 122 CO 0.04 0.08 -0.11 -0.51 0.96 0.00 0.00 176.95 177.41 1lnu s LEU 123 N 0.61 2.59 -0.75 2.99 1.43 -0.24 -2.25 118.68 123.06 1lnu s LEU 123 Ca 0.49 -1.03 -0.14 0.00 -1.03 0.00 0.00 54.13 52.42 1lnu s LEU 123 Cb -0.22 -1.33 0.20 0.00 0.03 0.00 0.00 46.19 44.87 1lnu s LEU 123 CO 0.28 -0.15 0.69 -0.60 0.23 0.00 0.00 176.35 176.80 1lnu s ARG 124 N 1.31 3.42 -1.12 1.70 3.52 -1.26 0.41 118.95 126.93 1lnu s ARG 124 Ca -0.03 -2.29 -0.05 0.00 -0.13 0.00 0.00 55.73 53.23 1lnu s ARG 124 Cb -0.17 -4.37 0.01 0.00 -1.56 0.00 0.00 34.95 28.85 1lnu s ARG 124 CO -0.08 -1.29 0.67 0.09 -0.81 0.00 0.00 175.30 173.88 1lnu n ASN 125 N 4.25 -5.21 -2.62 -2.12 3.02 -0.01 -3.25 115.26 109.32 1lnu n ASN 125 Ca 0.07 -0.31 -0.11 0.00 -0.03 0.00 0.00 54.58 54.21 1lnu n ASN 125 Cb 0.45 -3.95 0.05 0.00 -0.61 0.00 0.00 39.78 35.73 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 -1.72 -3.44 -2.76 6.41 7.64 -1.26 -5.01 113.62 113.49 1lnu n SER 126 Ca -0.04 -0.43 -0.04 0.00 1.01 0.00 0.00 58.87 59.36 1lnu n SER 126 Cb 0.57 -3.57 0.05 0.00 -1.01 0.00 0.00 64.21 60.25 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 -2.86 1.46 -0.27 1.43 5.02 -1.20 -5.06 118.16 116.68 1lnu n LYS 127 Ca -0.12 -3.28 0.00 0.00 -2.02 0.00 0.00 58.31 52.88 1lnu n LYS 127 Cb 0.60 -1.35 0.00 0.00 -0.02 0.00 0.00 35.03 34.26 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 -0.41 0.00 -4.75 4.39 7.64 -1.26 -4.64 113.62 114.58 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 63.96 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 5.02 -0.22 0.44 0.11 -0.95 -5.02 120.40 119.78 1lnu s VAL 129 Ca 0.00 1.12 -0.03 0.00 -2.93 0.00 0.00 61.98 60.14 1lnu s VAL 129 Cb 0.00 -3.88 0.07 0.00 -1.53 0.00 0.00 36.38 31.04 1lnu s VAL 129 CO 0.00 0.39 0.05 0.00 -3.33 0.00 0.00 175.10 172.22 1lnu s ALA 130 N 0.05 1.01 0.00 1.54 0.00 -1.26 -4.45 121.76 118.65 1lnu s ALA 130 Ca 0.29 -0.83 0.00 0.00 0.00 0.00 0.00 51.96 51.42 1lnu s ALA 130 Cb -0.17 -1.25 0.00 0.00 0.00 0.00 0.00 23.12 21.70 1lnu s ALA 130 CO 0.15 -1.28 0.00 -0.40 0.00 0.00 0.00 175.76 174.23 1lnu n ASP 131 N 5.05 0.00 -0.29 0.00 5.68 -1.26 -4.94 116.55 120.79 1lnu n ASP 131 Ca -0.08 0.00 -0.04 0.00 -0.50 0.00 0.00 54.79 54.18 1lnu n ASP 131 Cb 0.46 0.00 -0.02 0.00 -1.14 0.00 0.00 41.12 40.43 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 -1.18 0.51 3.70 6.12 0.00 -1.26 -4.74 105.19 108.35 1lnu n GLY 132 Ca 0.00 -0.10 -0.35 0.00 0.00 0.00 0.00 46.02 45.57 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 -1.65 4.93 0.09 1.61 1.01 -1.26 -0.71 120.40 124.43 1lnu s VAL 133 Ca 0.00 0.01 0.03 0.00 0.00 0.00 0.00 61.98 62.02 1lnu s VAL 133 Cb 0.00 -3.19 -0.04 0.00 0.00 0.00 0.00 36.38 33.16 1lnu s VAL 133 CO 0.00 0.52 -0.09 -0.47 0.00 0.00 0.00 175.10 175.05 1lnu s TYR 134 N -0.13 1.02 0.03 5.22 5.04 0.29 -4.96 117.35 123.85 1lnu s TYR 134 Ca 0.08 -0.68 -0.00 0.00 -2.44 0.00 0.00 57.07 54.03 1lnu s TYR 134 Cb -0.12 -0.56 -0.03 0.00 0.35 0.00 0.00 41.96 41.60 1lnu s TYR 134 CO 0.01 -0.02 -0.03 -2.00 -1.34 0.00 0.00 175.55 172.17 1lnu s GLU 135 N -2.84 0.39 0.41 4.97 2.12 -1.26 0.18 118.70 122.66 1lnu s GLU 135 Ca 0.05 -0.77 0.08 0.00 0.36 0.00 0.00 54.97 54.69 1lnu s GLU 135 Cb -0.02 0.13 -0.01 0.00 0.26 0.00 0.00 34.13 34.49 1lnu s GLU 135 CO -0.01 -0.07 0.46 0.95 -0.54 0.00 0.00 175.26 176.06 1lnu s THR 136 N -2.10 2.97 0.80 -1.70 -4.23 0.52 -4.99 115.64 106.92 1lnu s THR 136 Ca -0.10 -1.18 -0.11 0.00 -1.18 0.00 0.00 61.69 59.12 1lnu s THR 136 Cb -0.05 -3.04 0.07 0.00 1.34 0.00 0.00 72.50 70.81 1lnu s THR 136 CO -0.03 -0.03 1.09 -0.44 -0.54 0.00 0.00 174.62 174.67 1lnu s SER 137 N -4.21 4.39 0.26 3.99 0.01 -1.26 -4.57 113.70 112.30 1lnu s SER 137 Ca 0.50 1.58 -0.30 0.00 1.31 0.00 0.00 55.95 59.05 1lnu s SER 137 Cb -0.07 -2.32 -0.10 0.00 0.21 0.00 0.00 66.02 63.75 1lnu s SER 137 CO 0.30 -2.07 1.33 -0.36 0.41 0.00 0.00 173.24 172.85 1lnu s PHE 138 N -2.99 3.15 -0.00 2.43 0.08 -1.26 -4.61 117.98 114.77 1lnu s PHE 138 Ca 0.61 1.25 -0.01 0.00 0.12 0.00 0.00 56.93 58.90 1lnu s PHE 138 Cb -0.16 -3.67 -0.04 0.00 -0.57 0.00 0.00 43.02 38.58 1lnu s PHE 138 CO 0.56 -2.01 0.13 -0.06 -0.10 0.00 0.00 175.22 173.74 1lnu s PHE 139 N -0.35 3.41 0.22 0.36 0.40 0.42 -4.92 117.98 117.52 1lnu s PHE 139 Ca 0.54 0.27 -0.30 0.00 -0.60 0.00 0.00 56.93 56.85 1lnu s PHE 139 Cb -0.39 -1.78 -0.08 0.00 0.51 0.00 0.00 43.02 41.28 1lnu s PHE 139 CO 0.44 0.60 1.00 0.08 0.70 0.00 0.00 175.22 178.03 1lnu s VAL 140 N -1.26 3.99 0.34 -0.44 1.01 -1.26 -2.02 120.40 120.76 1lnu s VAL 140 Ca 0.25 1.90 0.09 0.00 0.00 0.00 0.00 61.98 64.22 1lnu s VAL 140 Cb -0.12 -4.21 -0.05 0.00 0.00 0.00 0.00 36.38 31.99 1lnu s VAL 140 CO 0.16 0.41 0.05 0.20 0.00 0.00 0.00 175.10 175.93 1lnu s ASN 141 N -0.80 4.32 0.09 3.32 0.01 -0.96 -4.90 114.94 116.02 1lnu s ASN 141 Ca 0.44 -0.93 -0.27 0.00 -0.71 0.00 0.00 52.86 51.38 1lnu s ASN 141 Cb -0.27 -0.59 -0.14 0.00 0.41 0.00 0.00 41.25 40.66 1lnu s ASN 141 CO 0.34 -0.26 1.68 -0.09 -1.51 0.00 0.00 177.10 177.26 1lnu h ARG 142 N 1.73 -0.40 -0.63 -0.60 2.43 -1.97 -2.29 114.38 112.65 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 0.09 0.00 0.00 -0.42 0.00 0.00 29.97 30.89 1lnu h ARG 142 CO 0.66 -0.27 0.00 -0.40 -1.51 0.00 0.00 179.97 178.45 1lnu n ASP 143 N -5.30 0.63 -1.40 -3.80 5.68 -1.26 -4.80 116.55 106.31 1lnu n ASP 143 Ca -0.09 -1.44 -0.17 0.00 -0.50 0.00 0.00 54.79 52.59 1lnu n ASP 143 Cb 0.21 -0.32 -0.07 0.00 -1.14 0.00 0.00 41.12 39.81 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 0.06 -0.07 -2.41 2.11 0.53 -0.86 -4.98 117.16 111.53 1lnu n TYR 144 Ca 0.00 0.00 0.00 0.00 -1.02 0.00 0.00 57.90 56.88 1lnu n TYR 144 Cb 0.16 -3.04 0.00 0.00 -1.03 0.00 0.00 39.34 35.43 1lnu n TYR 144 CO 0.00 0.00 0.00 -1.13 -1.02 0.00 0.00 176.86 174.71 1lnu n SER 145 N -0.87 0.00 -3.67 7.72 3.41 -1.26 -4.87 113.62 114.09 1lnu n SER 145 Ca -0.18 -0.74 -0.18 0.00 -0.26 0.00 0.00 58.87 57.51 1lnu n SER 145 Cb 0.58 0.00 -0.09 0.00 -0.26 0.00 0.00 64.21 64.44 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 0.92 1.61 -0.18 7.33 0.40 0.27 -2.27 117.98 126.06 1lnu s PHE 146 Ca 0.00 -1.54 -0.13 0.00 -0.60 0.00 0.00 56.93 54.66 1lnu s PHE 146 Cb 0.00 -0.73 0.06 0.00 0.51 0.00 0.00 43.02 42.86 1lnu s PHE 146 CO 0.00 -0.74 0.46 -3.38 0.70 0.00 0.00 175.22 172.26 1lnu s HIS 147 N -3.61 -0.62 0.32 0.36 -3.43 -0.86 0.72 115.29 108.18 1lnu s HIS 147 Ca 0.39 1.37 0.07 0.00 -0.80 0.00 0.00 55.06 56.08 1lnu s HIS 147 Cb 0.04 0.27 -0.06 0.00 -1.43 0.00 0.00 32.58 31.40 1lnu s HIS 147 CO 0.22 -0.33 -0.04 0.21 -2.00 0.00 0.00 174.74 172.80 1lnu s LYS 148 N 0.99 1.70 0.04 -0.38 2.20 -0.16 -0.44 119.74 123.70 1lnu s LYS 148 Ca -0.06 -1.89 0.05 0.00 -0.36 0.00 0.00 55.97 53.70 1lnu s LYS 148 Cb -0.06 -1.34 -0.02 0.00 -1.51 0.00 0.00 37.83 34.90 1lnu s LYS 148 CO -0.09 0.02 -0.14 -0.51 -0.36 0.00 0.00 175.35 174.28 1lnu s LEU 149 N -3.53 2.19 0.06 5.43 2.01 -1.26 -1.10 118.68 122.47 1lnu s LEU 149 Ca 0.32 -0.48 0.06 0.00 0.01 0.00 0.00 54.13 54.05 1lnu s LEU 149 Cb 0.05 -0.58 -0.03 0.00 0.01 0.00 0.00 46.19 45.65 1lnu s LEU 149 CO 0.15 0.01 -0.17 -0.55 1.01 0.00 0.00 176.35 176.79 1lnu s SER 150 N -1.22 2.09 -0.04 2.29 0.15 -1.08 -0.35 113.70 115.54 1lnu s SER 150 Ca 0.01 -0.54 0.04 0.00 0.70 0.00 0.00 55.95 56.15 1lnu s SER 150 Cb -0.08 -0.14 -0.00 0.00 -1.71 0.00 0.00 66.02 64.09 1lnu s SER 150 CO 0.01 0.07 -0.15 -0.31 1.20 0.00 0.00 173.24 174.06 1lnu s TYR 151 N -0.94 1.49 -0.25 3.44 1.51 0.48 -1.53 117.35 121.55 1lnu s TYR 151 Ca 0.04 -0.42 -0.00 0.00 -1.01 0.00 0.00 57.07 55.68 1lnu s TYR 151 Cb -0.09 -1.02 0.04 0.00 -0.11 0.00 0.00 41.96 40.78 1lnu s TYR 151 CO 0.02 -0.15 -0.07 -1.17 -1.11 0.00 0.00 175.55 173.07 1lnu s LEU 152 N 0.10 3.26 -0.34 -1.29 0.20 0.25 -0.55 118.68 120.31 1lnu s LEU 152 Ca -0.04 -1.03 -0.26 0.00 0.69 0.00 0.00 54.13 53.50 1lnu s LEU 152 Cb -0.11 -1.63 0.01 0.00 -0.43 0.00 0.00 46.19 44.03 1lnu s LEU 152 CO 0.02 -0.15 0.91 -0.89 -0.29 0.00 0.00 176.35 175.95 1lnu s THR 153 N 1.26 4.63 0.32 3.68 2.01 0.11 -0.51 115.64 127.14 1lnu s THR 153 Ca -0.02 1.28 0.05 0.00 0.31 0.00 0.00 61.69 63.31 1lnu s THR 153 Cb -0.17 -4.29 -0.03 0.00 0.01 0.00 0.00 72.50 68.02 1lnu s THR 153 CO -0.05 -0.44 0.29 0.72 -0.69 0.00 0.00 174.62 174.45 1lnu s PHE 154 N 3.35 1.59 -0.17 4.92 -0.71 -0.57 -4.83 117.98 121.56 1lnu s PHE 154 Ca 0.38 -1.58 0.01 0.00 -1.04 0.00 0.00 56.93 54.70 1lnu s PHE 154 Cb -0.13 -0.61 0.01 0.00 -1.21 0.00 0.00 43.02 41.08 1lnu s PHE 154 CO 0.16 -0.88 -0.19 0.42 -1.34 0.00 0.00 175.22 173.40 1lnu s ILE 155 N -3.48 2.27 0.16 -4.49 1.01 -1.26 -2.03 121.20 113.36 1lnu s ILE 155 Ca 0.39 -0.89 -0.26 0.00 0.00 0.00 0.00 60.65 59.90 1lnu s ILE 155 Cb 0.03 -1.94 -0.08 0.00 0.01 0.00 0.00 42.46 40.47 1lnu s ILE 155 CO 0.25 0.53 0.79 -2.16 0.00 0.00 0.00 174.94 174.35 1lnu s PRO 156 N 1.07 4.58 -0.12 2.79 0.04 -1.26 -4.88 135.00 137.22 1lnu s PRO 156 Ca -0.01 1.18 -0.06 0.00 0.04 0.00 0.00 61.00 62.15 1lnu s PRO 156 Cb -0.14 -3.28 0.05 0.00 0.04 0.00 0.00 34.50 31.17 1lnu s PRO 156 CO -0.06 0.53 0.28 -1.12 0.04 0.00 0.00 177.00 176.67 1lnu s SER 157 N -1.01 -0.25 0.00 6.66 0.01 -1.26 -0.96 113.70 116.89 1lnu s SER 157 Ca 0.37 0.61 -0.00 0.00 1.31 0.00 0.00 55.95 58.23 1lnu s SER 157 Cb -0.23 0.52 -0.02 0.00 0.21 0.00 0.00 66.02 66.50 1lnu s SER 157 CO 0.26 -0.18 0.67 -0.90 0.41 0.00 0.00 173.24 173.51 1lnu n ASP 158 N 4.37 1.17 0.03 2.44 5.75 -1.26 -3.54 116.55 125.52 1lnu n ASP 158 Ca -0.23 -1.44 0.00 0.00 -0.01 0.00 0.00 54.79 53.12 1lnu n ASP 158 Cb 0.53 -0.27 0.00 0.00 -1.03 0.00 0.00 41.12 40.35 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 2.20 -0.04 -4.66 -1.12 5.75 -1.26 -5.06 116.55 112.37 1lnu n ASP 159 Ca 0.03 0.11 -0.29 0.00 -0.01 0.00 0.00 54.79 54.64 1lnu n ASP 159 Cb 0.14 0.09 0.18 0.00 -1.03 0.00 0.00 41.12 40.50 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 -4.24 2.50 0.30 -1.12 3.84 -1.23 -5.07 116.67 111.65 1lnu s ASP 160 Ca 0.00 1.25 0.03 0.00 -0.00 0.00 0.00 52.55 53.83 1lnu s ASP 160 Cb 0.00 -1.93 -0.03 0.00 -1.38 0.00 0.00 42.92 39.59 1lnu s ASP 160 CO 0.00 -3.22 0.28 0.27 -0.00 0.00 0.00 175.17 172.51 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 0.65 -1.92 0.01 0.00 -0.26 0.00 0.00 60.65 59.14 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 0.06 -0.31 0.24 0.00 0.00 174.94 175.51 1lnu s TYR 162 N -3.56 1.33 -0.28 1.37 2.02 -1.13 -0.83 117.35 116.26 1lnu s TYR 162 Ca 0.38 -1.14 -0.04 0.00 -0.37 0.00 0.00 57.07 55.90 1lnu s TYR 162 Cb 0.03 -0.76 0.16 0.00 -0.40 0.00 0.00 41.96 40.99 1lnu s TYR 162 CO 0.22 -0.33 0.56 -0.51 -1.57 0.00 0.00 175.55 173.93 1lnu s ASP 163 N -3.23 -1.00 -0.16 2.29 1.01 0.17 -2.99 116.67 112.77 1lnu s ASP 163 Ca 0.32 0.96 -0.29 0.00 0.71 0.00 0.00 52.55 54.24 1lnu s ASP 163 Cb 0.07 1.98 -0.01 0.00 1.01 0.00 0.00 42.92 45.97 1lnu s ASP 163 CO 0.09 -0.25 1.17 0.00 0.21 0.00 0.00 175.17 176.38 1lnu s LYS 165 N 3.07 3.53 -0.10 0.00 2.20 0.28 -2.11 119.74 126.60 1lnu s LYS 165 Ca 0.51 -0.62 0.02 0.00 -0.36 0.00 0.00 55.97 55.53 1lnu s LYS 165 Cb -0.20 -3.75 -0.01 0.00 -1.51 0.00 0.00 37.83 32.36 1lnu s LYS 165 CO 0.14 -0.41 -0.18 0.08 -0.36 0.00 0.00 175.35 174.62 1lnu s VAL 166 N 1.71 2.66 -0.06 4.02 1.01 -0.78 0.60 120.40 129.56 1lnu s VAL 166 Ca 0.06 -0.82 0.02 0.00 0.00 0.00 0.00 61.98 61.25 1lnu s VAL 166 Cb -0.17 -2.07 0.01 0.00 0.00 0.00 0.00 36.38 34.15 1lnu s VAL 166 CO 0.10 0.55 -0.12 -1.61 0.00 0.00 0.00 175.10 174.02 1lnu s GLU 167 N 0.18 1.59 -0.12 2.72 2.02 -0.40 -0.48 118.70 124.22 1lnu s GLU 167 Ca -0.10 -0.40 -0.17 0.00 0.02 0.00 0.00 54.97 54.32 1lnu s GLU 167 Cb -0.16 -1.34 0.04 0.00 0.10 0.00 0.00 34.13 32.78 1lnu s GLU 167 CO 0.06 0.05 0.44 -1.58 0.02 0.00 0.00 175.26 174.24 1lnu s HIS 168 N 0.57 -0.43 -1.14 1.61 2.46 -1.26 -1.46 115.29 115.65 1lnu s HIS 168 Ca -0.12 0.96 0.00 0.00 0.47 0.00 0.00 55.06 56.37 1lnu s HIS 168 Cb -0.15 0.17 0.00 0.00 -0.13 0.00 0.00 32.58 32.48 1lnu s HIS 168 CO 0.03 -0.31 0.78 0.91 -2.47 0.00 0.00 174.74 173.68 1lnu n TRP 169 N 2.26 0.00 1.12 3.88 8.01 -1.26 -0.39 117.44 131.06 1lnu n TRP 169 Ca -0.16 0.00 0.12 0.00 -1.31 0.00 0.00 57.50 56.15 1lnu n TRP 169 Cb 0.57 -0.30 0.27 0.00 -2.01 0.00 0.00 31.31 29.84 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 -1.28 -0.84 3.30 6.99 0.00 -1.26 -4.84 105.19 107.27 1lnu n GLY 170 Ca 0.00 -0.41 -0.33 0.00 0.00 0.00 0.00 46.02 45.28 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 -2.72 2.49 0.30 0.99 0.05 0.48 -4.33 118.68 115.93 1lnu s LEU 171 Ca 0.18 -0.43 0.04 0.00 0.05 0.00 0.00 54.13 53.97 1lnu s LEU 171 Cb 0.18 -1.55 0.78 0.00 -2.05 0.00 0.00 46.19 43.56 1lnu s LEU 171 CO 0.62 0.14 1.65 1.05 -0.55 0.00 0.00 176.35 179.25 1lnu h GLU 172 N 6.89 0.22 -2.52 1.48 9.09 -1.88 -3.43 114.58 124.43 1lnu h GLU 172 Ca -0.26 -0.01 -0.09 0.00 0.05 0.00 0.00 59.36 59.05 1lnu h GLU 172 Cb 1.21 -0.05 -0.20 0.00 -1.65 0.00 0.00 28.75 28.07 1lnu h GLU 172 CO 0.54 0.14 -0.04 -1.83 0.05 0.00 0.00 179.01 177.87 1lnu s GLU 173 N -5.89 0.86 0.01 1.06 -1.05 -1.26 -5.12 118.70 107.32 1lnu s GLU 173 Ca -0.12 0.04 -0.20 0.00 -0.15 0.00 0.00 54.97 54.54 1lnu s GLU 173 Cb 0.27 0.40 -0.10 0.00 -0.44 0.00 0.00 34.13 34.25 1lnu s GLU 173 CO 0.77 -0.26 0.53 -2.30 0.95 0.00 0.00 175.26 174.96 1lnu n PRO 174 N 1.10 0.00 -3.40 -4.83 -0.02 -1.26 -4.93 135.00 121.67 1lnu n PRO 174 Ca -0.20 0.00 -0.38 0.00 -2.02 0.00 0.00 63.50 60.90 1lnu n PRO 174 Cb 0.56 -0.76 -0.06 0.00 -0.02 0.00 0.00 33.50 33.23 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 -0.05 5.03 -0.25 -1.45 1.01 0.37 -4.92 120.40 120.13 1lnu s VAL 175 Ca 0.46 0.94 -0.01 0.00 0.00 0.00 0.00 61.98 63.37 1lnu s VAL 175 Cb -0.65 -3.78 0.03 0.00 0.00 0.00 0.00 36.38 31.99 1lnu s VAL 175 CO 0.30 0.49 -0.06 -0.22 0.00 0.00 0.00 175.10 175.61 1lnu s LEU 176 N -0.52 3.26 -0.36 3.92 2.96 -1.26 -1.86 118.68 124.81 1lnu s LEU 176 Ca 0.25 -0.96 -0.11 0.00 -0.22 0.00 0.00 54.13 53.10 1lnu s LEU 176 Cb -0.17 -1.65 0.02 0.00 0.50 0.00 0.00 46.19 44.89 1lnu s LEU 176 CO 0.13 -0.15 0.19 -0.75 -1.32 0.00 0.00 176.35 174.46 1lnu s LYS 177 N 1.29 2.90 -0.05 1.98 2.47 -0.90 -4.99 119.74 122.45 1lnu s LYS 177 Ca -0.01 -1.03 -0.16 0.00 -1.56 0.00 0.00 55.97 53.21 1lnu s LYS 177 Cb -0.17 -3.69 -0.05 0.00 -1.46 0.00 0.00 37.83 32.45 1lnu s LYS 177 CO -0.04 -0.65 0.44 -1.58 0.16 0.00 0.00 175.35 173.67 1lnu s HIS 178 N 1.56 3.64 0.01 4.03 5.65 -1.26 -1.61 115.29 127.31 1lnu s HIS 178 Ca 0.02 0.95 0.01 0.00 0.25 0.00 0.00 55.06 56.29 1lnu s HIS 178 Cb -0.19 -2.41 -0.01 0.00 -1.18 0.00 0.00 32.58 28.80 1lnu s HIS 178 CO 0.06 0.44 -0.04 -0.46 -0.65 0.00 0.00 174.74 174.09 1lnu s TRP 179 N -0.35 0.33 -0.10 3.88 -0.00 -1.16 -5.00 118.94 116.53 1lnu s TRP 179 Ca 0.24 -0.26 -0.30 0.00 -0.00 0.00 0.00 56.10 55.78 1lnu s TRP 179 Cb -0.16 -0.21 0.08 0.00 -0.00 0.00 0.00 33.47 33.18 1lnu s TRP 179 CO 0.12 -0.07 0.74 -2.00 -0.00 0.00 0.00 176.95 175.74 1lnu s GLU 180 N -0.73 0.96 0.55 5.86 2.12 -1.26 -2.86 118.70 123.34 1lnu s GLU 180 Ca -0.06 0.34 0.31 0.00 0.36 0.00 0.00 54.97 55.92 1lnu s GLU 180 Cb -0.05 0.45 1.59 0.00 0.26 0.00 0.00 34.13 36.38 1lnu s GLU 180 CO -0.00 -0.28 2.11 -1.00 -0.54 0.00 0.00 175.26 175.55 1lnu h PRO 181 N 3.21 0.00 -0.03 4.30 0.13 -1.93 -3.51 132.00 134.17 1lnu h PRO 181 Ca -0.26 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.87 1lnu h PRO 181 Cb 1.15 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.28 1lnu h PRO 181 CO 0.33 0.08 0.00 0.39 -0.23 0.00 0.00 178.00 178.57