#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 -2.43 0.00 0.62 0.00 -1.26 -5.11 121.76 113.58 1lnu s ALA 3 Ca 0.00 1.95 0.00 0.00 0.00 0.00 0.00 51.96 53.91 1lnu s ALA 3 Cb 0.00 -1.84 0.00 0.00 0.00 0.00 0.00 23.12 21.28 1lnu s ALA 3 CO 0.00 -0.27 0.00 -0.25 0.00 0.00 0.00 175.76 175.24 1lnu n ASP 4 N 2.80 0.00 -4.78 0.00 8.00 -1.26 -4.73 116.55 116.57 1lnu n ASP 4 Ca -0.16 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 41.61 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 3.51 -0.09 1.24 3.76 -1.26 -5.06 115.29 117.39 1lnu s HIS 5 Ca 0.00 1.72 0.00 0.00 -0.15 0.00 0.00 55.06 56.63 1lnu s HIS 5 Cb 0.00 -2.99 0.02 0.00 1.11 0.00 0.00 32.58 30.72 1lnu s HIS 5 CO 0.00 -0.12 -0.06 0.54 -0.85 0.00 0.00 174.74 174.25 1lnu s VAL 6 N -1.68 0.85 -0.31 -0.90 0.11 -1.26 -5.08 120.40 112.13 1lnu s VAL 6 Ca 0.54 -0.22 -0.08 0.00 -2.93 0.00 0.00 61.98 59.29 1lnu s VAL 6 Cb -0.19 -0.87 0.01 0.00 -1.53 0.00 0.00 36.38 33.79 1lnu s VAL 6 CO 0.24 0.32 0.12 -0.83 -3.33 0.00 0.00 175.10 171.63 1lnu s GLY 7 N 1.45 1.84 -0.30 6.54 0.00 -1.26 -2.39 107.32 113.19 1lnu s GLY 7 Ca -0.01 -1.48 -0.11 0.00 0.00 0.00 0.00 44.72 43.13 1lnu s GLY 7 CO -0.04 0.70 0.17 -1.59 0.00 0.00 0.00 173.10 172.34 1lnu s THR 8 N 1.54 4.90 0.21 0.90 2.01 0.17 -5.02 115.64 120.35 1lnu s THR 8 Ca 0.03 -0.21 0.05 0.00 0.31 0.00 0.00 61.69 61.87 1lnu s THR 8 Cb -0.17 -3.45 -0.05 0.00 0.01 0.00 0.00 72.50 68.84 1lnu s THR 8 CO 0.04 0.12 -0.06 -0.31 -0.69 0.00 0.00 174.62 173.72 1lnu s TYR 9 N 1.67 1.56 -1.52 4.92 2.02 -1.26 0.12 117.35 124.86 1lnu s TYR 9 Ca 0.06 -0.78 0.00 0.00 -0.37 0.00 0.00 57.07 55.97 1lnu s TYR 9 Cb -0.17 -0.85 0.00 0.00 -0.40 0.00 0.00 41.96 40.55 1lnu s TYR 9 CO 0.08 0.11 0.00 0.41 -1.57 0.00 0.00 175.55 174.58 1lnu n GLY 10 N -0.38 0.71 3.59 0.71 0.00 -1.23 -4.84 105.19 103.75 1lnu n GLY 10 Ca -0.07 0.00 -0.45 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 -2.64 0.39 -4.10 -0.61 5.41 -0.03 -4.85 119.36 112.93 1lnu n ILE 11 Ca -0.17 -0.35 -0.33 0.00 1.00 0.00 0.00 62.75 62.91 1lnu n ILE 11 Cb 0.56 -2.30 -0.16 0.00 -0.71 0.00 0.00 39.64 37.03 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 7.26 3.54 0.03 4.38 0.01 -1.26 -0.61 113.70 127.04 1lnu s SER 12 Ca 1.00 -0.89 0.09 0.00 1.31 0.00 0.00 55.95 57.46 1lnu s SER 12 Cb -0.48 -1.49 -0.03 0.00 0.21 0.00 0.00 66.02 64.24 1lnu s SER 12 CO 0.40 -0.07 -0.25 -0.69 0.41 0.00 0.00 173.24 173.05 1lnu s VAL 13 N 1.24 2.02 -0.08 3.43 1.01 -0.38 -5.01 120.40 122.62 1lnu s VAL 13 Ca 0.00 -1.28 -0.13 0.00 0.00 0.00 0.00 61.98 60.57 1lnu s VAL 13 Cb -0.15 -1.72 0.03 0.00 0.00 0.00 0.00 36.38 34.54 1lnu s VAL 13 CO -0.10 0.39 0.33 -0.47 0.00 0.00 0.00 175.10 175.25 1lnu s TYR 14 N -0.75 -0.30 -0.13 5.22 5.04 -1.26 -1.58 117.35 123.59 1lnu s TYR 14 Ca 0.11 0.67 0.01 0.00 -2.44 0.00 0.00 57.07 55.42 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 0.01 -0.27 -0.16 -0.65 -1.34 0.00 0.00 175.55 173.15 1lnu s GLN 15 N -0.42 2.39 0.02 4.97 -0.21 0.59 -4.98 119.66 122.02 1lnu s GLN 15 Ca -0.05 -0.61 -0.07 0.00 0.02 0.00 0.00 55.36 54.65 1lnu s GLN 15 Cb -0.04 -2.09 -0.02 0.00 1.00 0.00 0.00 33.01 31.86 1lnu s GLN 15 CO 0.02 -0.15 1.11 1.03 -2.12 0.00 0.00 175.29 175.18 1lnu h SER 16 N 7.73 -0.35 -2.00 5.90 0.87 -1.98 -2.85 113.55 120.86 1lnu h SER 16 Ca -0.35 0.04 -0.50 0.00 -1.23 0.00 0.00 61.79 59.75 1lnu h SER 16 Cb 1.16 0.14 -0.02 0.00 -0.44 0.00 0.00 62.40 63.23 1lnu h SER 16 CO 0.52 -0.09 1.40 -2.16 -0.53 0.00 0.00 176.83 175.97 1lnu s PRO 17 N -3.53 2.62 0.00 2.24 0.04 -1.26 -2.71 135.00 132.40 1lnu s PRO 17 Ca -0.03 0.89 0.00 0.00 0.04 0.00 0.00 61.00 61.90 1lnu s PRO 17 Cb 0.02 -4.40 0.00 0.00 0.04 0.00 0.00 34.50 30.15 1lnu s PRO 17 CO 0.12 -2.72 0.00 0.41 0.04 0.00 0.00 177.00 174.85 1lnu n GLY 18 N 5.72 1.02 4.29 0.56 0.00 -1.26 -4.72 105.19 110.81 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 0.73 -4.58 1.61 4.64 -1.10 -4.87 116.55 112.98 1lnu n ASP 19 Ca 0.00 -1.25 -0.40 0.00 -1.38 0.00 0.00 54.79 51.76 1lnu n ASP 19 Cb 0.00 -1.74 -0.09 0.00 -1.04 0.00 0.00 41.12 38.24 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 -4.31 5.18 0.11 5.18 1.01 -1.10 -4.93 121.20 122.34 1lnu s ILE 20 Ca 0.03 0.37 0.06 0.00 0.00 0.00 0.00 60.65 61.12 1lnu s ILE 20 Cb -0.02 -3.73 -0.03 0.00 0.01 0.00 0.00 42.46 38.69 1lnu s ILE 20 CO 0.99 0.08 -0.16 -0.83 0.00 0.00 0.00 174.94 175.01 1lnu s GLY 21 N 1.69 1.08 -0.10 6.18 0.00 -1.26 -0.30 107.32 114.60 1lnu s GLY 21 Ca 0.13 -1.21 -0.05 0.00 0.00 0.00 0.00 44.72 43.60 1lnu s GLY 21 CO 0.11 -1.24 0.23 1.62 0.00 0.00 0.00 173.10 173.82 1lnu s GLN 22 N -2.21 0.17 -0.18 2.90 0.74 -0.61 -4.93 119.66 115.54 1lnu s GLN 22 Ca 0.06 0.56 0.01 0.00 0.05 0.00 0.00 55.36 56.03 1lnu s GLN 22 Cb -0.08 -0.12 0.03 0.00 1.10 0.00 0.00 33.01 33.94 1lnu s GLN 22 CO 0.03 -0.20 -0.16 -0.47 -0.55 0.00 0.00 175.29 173.95 1lnu s TYR 23 N 1.54 2.63 0.04 1.67 6.14 -1.26 -1.25 117.35 126.86 1lnu s TYR 23 Ca -0.07 -1.61 -0.01 0.00 0.64 0.00 0.00 57.07 56.03 1lnu s TYR 23 Cb -0.11 -1.80 -0.03 0.00 0.42 0.00 0.00 41.96 40.44 1lnu s TYR 23 CO -0.08 -0.77 -0.03 0.95 0.64 0.00 0.00 175.55 176.25 1lnu s THR 24 N 1.33 0.21 -0.12 4.34 -4.23 0.22 -1.87 115.64 115.52 1lnu s THR 24 Ca 0.03 -1.55 0.03 0.00 -1.18 0.00 0.00 61.69 59.02 1lnu s THR 24 Cb -0.14 -1.16 0.00 0.00 1.34 0.00 0.00 72.50 72.54 1lnu s THR 24 CO -0.11 -0.85 -0.22 -0.36 -0.54 0.00 0.00 174.62 172.54 1lnu s PHE 25 N -3.18 2.62 0.16 3.99 0.40 -1.03 -0.85 117.98 120.10 1lnu s PHE 25 Ca 0.00 -1.16 0.10 0.00 -0.60 0.00 0.00 56.93 55.27 1lnu s PHE 25 Cb 0.03 -1.77 -0.04 0.00 0.51 0.00 0.00 43.02 41.75 1lnu s PHE 25 CO -0.07 -0.49 -0.21 -1.21 0.70 0.00 0.00 175.22 173.93 1lnu s GLU 26 N 0.56 1.35 -0.13 0.44 2.02 0.31 -0.81 118.70 122.43 1lnu s GLU 26 Ca -0.13 -1.41 -0.05 0.00 0.02 0.00 0.00 54.97 53.40 1lnu s GLU 26 Cb -0.17 -1.55 0.07 0.00 0.10 0.00 0.00 34.13 32.57 1lnu s GLU 26 CO 0.04 0.33 0.27 0.12 0.02 0.00 0.00 175.26 176.04 1lnu s PHE 27 N -1.74 -0.43 -1.43 1.61 5.36 0.24 -0.66 117.98 120.94 1lnu s PHE 27 Ca 0.16 0.96 -0.02 0.00 -0.96 0.00 0.00 56.93 57.07 1lnu s PHE 27 Cb -0.07 -0.04 0.02 0.00 -0.34 0.00 0.00 43.02 42.58 1lnu s PHE 27 CO 0.07 -0.37 0.48 -0.25 -1.46 0.00 0.00 175.22 173.69 1lnu n ASP 28 N 5.35 -0.74 0.00 6.13 8.00 -1.01 -0.64 116.55 133.64 1lnu n ASP 28 Ca -0.06 -0.99 0.00 0.00 0.71 0.00 0.00 54.79 54.45 1lnu n ASP 28 Cb 0.50 -3.12 0.00 0.00 -0.02 0.00 0.00 41.12 38.48 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 -1.90 0.58 3.32 0.44 0.00 -1.26 -5.01 105.19 101.36 1lnu n GLY 29 Ca -0.27 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.44 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 -2.39 3.24 -0.28 1.61 1.01 0.18 -5.07 116.67 114.97 1lnu s ASP 30 Ca 0.00 -0.44 -0.29 0.00 0.71 0.00 0.00 52.55 52.53 1lnu s ASP 30 Cb 0.00 -0.70 -0.01 0.00 1.01 0.00 0.00 42.92 43.22 1lnu s ASP 30 CO 0.00 0.28 1.40 -0.70 0.21 0.00 0.00 175.17 176.36 1lnu s GLU 31 N -0.37 3.87 0.14 8.23 2.12 -1.26 0.83 118.70 132.25 1lnu s GLU 31 Ca 0.03 1.36 -0.10 0.00 0.36 0.00 0.00 54.97 56.62 1lnu s GLU 31 Cb -0.12 -3.93 -0.05 0.00 0.26 0.00 0.00 34.13 30.29 1lnu s GLU 31 CO 0.02 -1.19 1.42 -0.07 -0.54 0.00 0.00 175.26 174.90 1lnu h LEU 32 N 11.17 0.92 0.00 2.70 3.38 -1.30 -3.41 115.31 128.76 1lnu h LEU 32 Ca -0.28 -0.50 0.00 0.00 0.09 0.00 0.00 57.88 57.19 1lnu h LEU 32 Cb 1.11 -0.26 0.00 0.00 0.09 0.00 0.00 40.66 41.60 1lnu h LEU 32 CO 1.03 1.28 0.00 2.22 0.09 0.00 0.00 178.44 183.06 1lnu n PHE 33 N -4.00 0.00 -4.02 1.13 1.16 -1.21 -3.32 117.46 107.20 1lnu n PHE 33 Ca -0.04 0.00 -0.10 0.00 -1.87 0.00 0.00 57.45 55.44 1lnu n PHE 33 Cb 0.63 0.00 -0.11 0.00 -1.61 0.00 0.00 39.48 38.39 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 0.42 -0.27 2.97 1.13 0.09 -2.46 117.35 117.23 1lnu s TYR 34 Ca 0.00 -0.60 -0.10 0.00 -1.41 0.00 0.00 57.07 54.95 1lnu s TYR 34 Cb 0.00 -0.28 -0.05 0.00 -1.10 0.00 0.00 41.96 40.53 1lnu s TYR 34 CO 0.00 -0.19 0.17 0.08 -2.51 0.00 0.00 175.55 173.10 1lnu s VAL 35 N -1.83 5.14 0.15 -3.49 1.01 -0.78 -0.12 120.40 120.47 1lnu s VAL 35 Ca -0.11 0.11 -0.31 0.00 0.00 0.00 0.00 61.98 61.67 1lnu s VAL 35 Cb -0.07 -3.44 -0.10 0.00 0.00 0.00 0.00 36.38 32.77 1lnu s VAL 35 CO -0.02 0.27 1.53 -0.62 0.00 0.00 0.00 175.10 176.26 1lnu s ASP 36 N 1.72 6.64 0.11 3.32 -1.08 -0.25 -4.50 116.67 122.63 1lnu s ASP 36 Ca 0.07 2.55 0.11 0.00 -0.52 0.00 0.00 52.55 54.76 1lnu s ASP 36 Cb -0.16 -2.59 -0.15 0.00 -1.46 0.00 0.00 42.92 38.56 1lnu s ASP 36 CO 0.10 -0.79 1.11 -0.07 0.52 0.00 0.00 175.17 176.03 1lnu h LEU 37 N 6.87 0.00 0.05 -1.34 3.38 -1.91 -2.14 115.31 120.22 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 1.21 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.96 1lnu h LEU 37 CO 0.90 0.83 -0.03 -0.78 0.09 0.00 0.00 178.44 179.46 1lnu h ASP 38 N 0.00 -0.06 -0.03 -0.43 3.58 -1.98 -3.31 116.42 114.19 1lnu h ASP 38 Ca -0.09 0.00 0.01 0.00 0.42 0.00 0.00 57.03 57.37 1lnu h ASP 38 Cb 1.72 0.02 -0.00 0.00 1.72 0.00 0.00 39.33 42.78 1lnu h ASP 38 CO 0.09 0.19 0.04 0.50 -2.88 0.00 0.00 179.24 177.18 1lnu h LYS 39 N -0.54 0.00 -5.11 0.28 1.63 -1.98 -3.46 116.57 107.40 1lnu h LYS 39 Ca -0.01 0.00 -0.21 0.00 -0.85 0.00 0.00 60.65 59.59 1lnu h LYS 39 Cb 0.06 0.00 0.16 0.00 -0.60 0.00 0.00 32.23 31.85 1lnu h LYS 39 CO 0.01 0.00 -0.71 1.63 -3.45 0.00 0.00 179.45 176.94 1lnu n LYS 40 N -3.76 -1.90 -3.68 1.90 5.02 -0.84 -5.04 118.16 109.86 1lnu n LYS 40 Ca -0.02 0.78 -0.14 0.00 -2.02 0.00 0.00 58.31 56.90 1lnu n LYS 40 Cb 0.12 -5.24 -0.08 0.00 -0.02 0.00 0.00 35.03 29.81 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 0.71 0.10 1.97 -1.05 -0.99 -4.88 118.70 110.42 1lnu s GLU 41 Ca 0.38 0.37 -0.31 0.00 -0.15 0.00 0.00 54.97 55.26 1lnu s GLU 41 Cb -0.05 0.34 -0.07 0.00 -0.44 0.00 0.00 34.13 33.91 1lnu s GLU 41 CO 0.64 -0.16 1.28 0.99 0.95 0.00 0.00 175.26 178.96 1lnu s THR 42 N -0.47 3.67 -0.23 1.83 2.01 -1.26 -1.08 115.64 120.10 1lnu s THR 42 Ca -0.06 1.23 0.02 0.00 0.31 0.00 0.00 61.69 63.18 1lnu s THR 42 Cb -0.03 -3.78 0.04 0.00 0.01 0.00 0.00 72.50 68.74 1lnu s THR 42 CO 0.04 0.11 -0.14 -0.69 -0.69 0.00 0.00 174.62 173.25 1lnu s VAL 43 N 0.91 2.19 0.27 3.82 1.01 0.83 -4.94 120.40 124.49 1lnu s VAL 43 Ca 0.60 -1.35 -0.09 0.00 0.00 0.00 0.00 61.98 61.15 1lnu s VAL 43 Cb -0.33 -2.15 -0.07 0.00 0.00 0.00 0.00 36.38 33.83 1lnu s VAL 43 CO 0.31 0.19 0.58 0.26 0.00 0.00 0.00 175.10 176.43 1lnu s TRP 44 N 1.19 3.44 -0.04 5.22 0.52 -1.26 -0.73 118.94 127.27 1lnu s TRP 44 Ca -0.03 0.84 0.02 0.00 0.02 0.00 0.00 56.10 56.95 1lnu s TRP 44 Cb -0.17 -2.25 -0.25 0.00 -1.15 0.00 0.00 33.47 29.65 1lnu s TRP 44 CO -0.08 0.20 0.66 1.98 0.02 0.00 0.00 176.95 179.73 1lnu h MET 45 N 2.16 0.15 -4.23 4.98 4.05 -1.78 -3.41 114.93 116.85 1lnu h MET 45 Ca -0.47 -0.26 -0.74 0.00 -0.28 0.00 0.00 59.70 57.95 1lnu h MET 45 Cb 1.18 0.10 -0.26 0.00 -0.80 0.00 0.00 31.60 31.82 1lnu h MET 45 CO 0.68 0.91 -0.32 -0.51 0.23 0.00 0.00 176.91 177.89 1lnu s LEU 46 N -6.66 5.82 0.48 3.39 1.02 -1.26 -4.94 118.68 116.53 1lnu s LEU 46 Ca -0.11 -1.70 0.20 0.00 0.02 0.00 0.00 54.13 52.54 1lnu s LEU 46 Cb 0.07 -2.12 1.21 0.00 0.02 0.00 0.00 46.19 45.37 1lnu s LEU 46 CO 0.82 -0.73 1.97 1.55 0.02 0.00 0.00 176.35 179.97 1lnu h PRO 47 N 8.68 0.22 -0.68 1.29 0.13 -1.98 0.16 132.00 139.82 1lnu h PRO 47 Ca -0.26 -0.01 0.01 0.00 -0.87 0.00 0.00 66.00 64.87 1lnu h PRO 47 Cb 1.09 -0.05 -0.04 0.00 0.13 0.00 0.00 31.00 32.14 1lnu h PRO 47 CO 0.92 0.14 0.44 1.05 -0.23 0.00 0.00 178.00 180.33 1lnu h GLU 48 N 0.22 0.87 -0.46 0.86 9.09 -1.98 -1.89 114.58 121.30 1lnu h GLU 48 Ca 0.30 -0.05 0.05 0.00 0.05 0.00 0.00 59.36 59.71 1lnu h GLU 48 Cb 0.87 -0.20 -0.05 0.00 -1.65 0.00 0.00 28.75 27.73 1lnu h GLU 48 CO -0.06 0.58 0.19 0.74 0.05 0.00 0.00 179.01 180.51 1lnu h PHE 49 N 0.90 0.34 -0.42 2.06 -1.00 -1.10 -1.90 116.94 115.82 1lnu h PHE 49 Ca 0.26 0.02 0.09 0.00 2.81 0.00 0.00 57.97 61.15 1lnu h PHE 49 Cb -0.07 -0.09 -0.02 0.00 3.61 0.00 0.00 35.95 39.38 1lnu h PHE 49 CO -0.03 0.15 0.29 0.78 -1.61 0.00 0.00 178.31 177.89 1lnu h GLY 50 N 0.38 0.22 2.00 -1.45 0.00 -0.78 -0.13 103.07 103.32 1lnu h GLY 50 Ca 0.21 -0.07 0.00 0.00 0.00 0.00 0.00 47.33 47.48 1lnu h GLY 50 CO -0.19 0.04 0.00 -1.06 0.00 0.00 0.00 176.54 175.33 1lnu n GLN 51 N -4.45 0.11 -0.00 4.80 1.13 -0.72 -3.56 117.38 114.68 1lnu n GLN 51 Ca 0.06 0.17 0.05 0.00 -1.94 0.00 0.00 57.00 55.34 1lnu n GLN 51 Cb 0.38 -1.65 -0.07 0.00 0.11 0.00 0.00 30.24 29.01 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 -1.84 0.10 -4.11 1.08 4.77 -0.19 -5.03 117.00 111.77 1lnu n LEU 52 Ca 0.05 -0.11 -0.09 0.00 -0.03 0.00 0.00 56.01 55.83 1lnu n LEU 52 Cb 0.32 0.00 -0.10 0.00 -2.33 0.00 0.00 43.42 41.31 1lnu n LEU 52 CO 0.25 0.02 -0.37 0.00 -1.33 0.00 0.00 177.39 175.96 1lnu s ALA 53 N -2.52 0.66 0.11 -1.18 0.00 -0.42 -5.12 121.76 113.30 1lnu s ALA 53 Ca -0.02 -1.15 -0.02 0.00 0.00 0.00 0.00 51.96 50.77 1lnu s ALA 53 Cb 0.07 0.19 -0.04 0.00 0.00 0.00 0.00 23.12 23.34 1lnu s ALA 53 CO 0.41 -0.25 0.06 -1.54 0.00 0.00 0.00 175.76 174.44 1lnu s SER 54 N -2.66 0.32 -0.13 0.00 1.04 -1.26 -4.45 113.70 106.54 1lnu s SER 54 Ca 0.05 -1.11 -0.07 0.00 0.48 0.00 0.00 55.95 55.30 1lnu s SER 54 Cb 0.03 0.29 0.05 0.00 0.10 0.00 0.00 66.02 66.49 1lnu s SER 54 CO -0.06 -0.72 0.32 0.12 0.98 0.00 0.00 173.24 173.88 1lnu s PHE 55 N -4.01 -0.45 -0.33 5.02 5.36 -1.26 -5.12 117.98 117.20 1lnu s PHE 55 Ca 0.19 1.00 -0.29 0.00 -0.96 0.00 0.00 56.93 56.87 1lnu s PHE 55 Cb 0.07 0.14 -0.00 0.00 -0.34 0.00 0.00 43.02 42.89 1lnu s PHE 55 CO -0.01 -0.28 1.46 0.34 -1.46 0.00 0.00 175.22 175.26 1lnu s ASP 56 N 1.36 6.39 0.56 6.13 2.15 -1.26 -4.66 116.67 127.34 1lnu s ASP 56 Ca -0.09 1.14 0.28 0.00 0.43 0.00 0.00 52.55 54.31 1lnu s ASP 56 Cb -0.10 -2.54 1.47 0.00 -0.30 0.00 0.00 42.92 41.46 1lnu s ASP 56 CO -0.10 -1.33 1.96 -0.65 -0.17 0.00 0.00 175.17 174.87 1lnu h PRO 57 N 10.54 0.00 0.00 4.34 0.11 -1.95 -1.22 132.00 143.83 1lnu h PRO 57 Ca -0.29 0.00 -0.05 0.00 0.11 0.00 0.00 66.00 65.77 1lnu h PRO 57 Cb 1.12 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.22 1lnu h PRO 57 CO 1.05 0.00 -0.24 -0.56 -0.21 0.00 0.00 178.00 178.04 1lnu h GLN 58 N 0.00 0.00 -0.70 1.05 -0.00 -1.91 -2.66 115.11 110.89 1lnu h GLN 58 Ca 0.24 0.00 0.01 0.00 -0.00 0.00 0.00 58.65 58.91 1lnu h GLN 58 Cb 1.11 0.00 -0.04 0.00 -0.00 0.00 0.00 27.48 28.56 1lnu h GLN 58 CO -0.00 0.24 0.46 0.78 -0.00 0.00 0.00 178.83 180.30 1lnu h GLY 59 N 1.19 1.00 0.80 0.06 0.00 -1.62 0.11 103.07 104.60 1lnu h GLY 59 Ca -0.00 -0.36 -0.06 0.00 0.00 0.00 0.00 47.33 46.91 1lnu h GLY 59 CO 0.03 0.34 -0.11 -1.33 0.00 0.00 0.00 176.54 175.48 1lnu h GLY 60 N 0.93 0.45 0.70 4.60 0.00 -1.62 -2.06 103.07 106.08 1lnu h GLY 60 Ca 0.26 -0.41 0.06 0.00 0.00 0.00 0.00 47.33 47.24 1lnu h GLY 60 CO -0.07 0.37 0.45 1.41 0.00 0.00 0.00 176.54 178.70 1lnu h LEU 61 N 0.10 0.69 -1.26 3.11 3.38 -1.27 -1.91 115.31 118.14 1lnu h LEU 61 Ca 0.04 0.02 0.06 0.00 0.09 0.00 0.00 57.88 58.10 1lnu h LEU 61 Cb 0.60 -0.12 -0.05 0.00 0.09 0.00 0.00 40.66 41.18 1lnu h LEU 61 CO 0.03 0.44 0.53 -0.61 0.09 0.00 0.00 178.44 178.92 1lnu h GLN 62 N 0.82 0.86 0.00 1.13 4.15 -0.65 -2.55 115.11 118.87 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 0.18 -0.19 -0.03 0.00 0.21 0.00 0.00 27.48 27.64 1lnu h GLN 62 CO -0.18 0.57 -1.01 -0.97 -1.93 0.00 0.00 178.83 175.31 1lnu h ASN 63 N 0.89 0.00 -0.63 -0.69 -1.24 -0.73 -3.21 115.58 109.97 1lnu h ASN 63 Ca 0.35 0.00 -0.09 0.00 0.71 0.00 0.00 56.30 57.27 1lnu h ASN 63 Cb 0.23 0.00 -0.02 0.00 0.73 0.00 0.00 38.32 39.26 1lnu h ASN 63 CO -0.12 0.84 0.05 0.40 -1.29 0.00 0.00 177.43 177.30 1lnu h ILE 64 N 0.00 1.26 -0.53 2.57 1.08 -0.96 0.10 117.51 121.03 1lnu h ILE 64 Ca -0.06 -1.10 0.06 0.00 -0.39 0.00 0.00 64.86 63.37 1lnu h ILE 64 Cb 1.69 0.74 -0.05 0.00 -3.07 0.00 0.00 36.82 36.13 1lnu h ILE 64 CO 0.10 0.40 0.24 0.00 -0.69 0.00 0.00 178.15 178.20 1lnu h ALA 65 N 1.01 0.68 0.59 1.87 0.00 -1.53 1.54 119.26 123.41 1lnu h ALA 65 Ca 0.18 0.04 -0.03 0.00 0.00 0.00 0.00 54.91 55.11 1lnu h ALA 65 Cb 0.51 -0.02 0.01 0.00 0.00 0.00 0.00 17.79 18.28 1lnu h ALA 65 CO 0.02 -0.14 -0.28 0.28 0.00 0.00 0.00 179.25 179.14 1lnu h VAL 66 N 0.45 0.39 -0.85 0.00 2.07 -1.46 0.38 116.25 117.23 1lnu h VAL 66 Ca 0.25 -0.14 0.10 0.00 0.82 0.00 0.00 66.70 67.73 1lnu h VAL 66 Cb 0.21 0.45 -0.07 0.00 -1.52 0.00 0.00 31.29 30.36 1lnu h VAL 66 CO -0.21 0.02 0.50 0.58 0.02 0.00 0.00 177.57 178.48 1lnu h VAL 67 N -0.88 0.92 -0.09 2.57 2.07 -0.55 0.42 116.25 120.71 1lnu h VAL 67 Ca -0.08 -0.29 0.00 0.00 0.82 0.00 0.00 66.70 67.15 1lnu h VAL 67 Cb 0.64 0.01 -0.00 0.00 -1.52 0.00 0.00 31.29 30.42 1lnu h VAL 67 CO 0.13 0.15 0.06 0.50 0.02 0.00 0.00 177.57 178.43 1lnu h LYS 68 N 0.83 0.12 0.21 1.57 3.64 0.25 -1.39 116.57 121.80 1lnu h LYS 68 Ca 0.41 -0.01 -0.01 0.00 -1.27 0.00 0.00 60.65 59.77 1lnu h LYS 68 Cb 0.37 -0.03 -0.00 0.00 -0.41 0.00 0.00 32.23 32.16 1lnu h LYS 68 CO -0.24 0.09 -0.14 1.25 -2.27 0.00 0.00 179.45 178.14 1lnu h HIS 69 N 0.12 -0.38 -1.63 1.91 2.76 0.14 -2.92 115.15 115.15 1lnu h HIS 69 Ca 0.03 -0.00 0.52 0.00 -2.20 0.00 0.00 60.37 58.72 1lnu h HIS 69 Cb -0.00 0.14 -0.11 0.00 1.55 0.00 0.00 27.41 28.98 1lnu h HIS 69 CO -0.07 -0.20 1.11 0.09 -1.30 0.00 0.00 177.93 177.56 1lnu n ASN 70 N -3.10 0.12 0.38 3.26 4.13 0.13 -1.26 115.26 118.92 1lnu n ASN 70 Ca -0.04 1.23 -0.15 0.00 1.68 0.00 0.00 54.58 57.29 1lnu n ASN 70 Cb 0.14 -0.61 -0.07 0.00 -1.54 0.00 0.00 39.78 37.70 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 -0.84 -0.89 3.41 5.85 -1.05 -2.28 115.31 119.51 1lnu h LEU 71 Ca 0.91 0.02 0.18 0.00 0.84 0.00 0.00 57.88 59.83 1lnu h LEU 71 Cb 3.24 0.22 -0.17 0.00 0.37 0.00 0.00 40.66 44.32 1lnu h LEU 71 CO -0.28 -0.46 -0.22 1.23 -0.34 0.00 0.00 178.44 178.37 1lnu h GLY 72 N -1.25 0.65 0.00 3.75 0.00 -1.15 0.49 103.07 105.56 1lnu h GLY 72 Ca -0.10 0.29 0.00 0.00 0.00 0.00 0.00 47.33 47.52 1lnu h GLY 72 CO 0.17 -0.34 0.00 -0.62 0.00 0.00 0.00 176.54 175.75 1lnu n VAL 73 N -5.57 0.00 -0.35 4.60 0.31 -1.13 0.28 118.33 116.48 1lnu n VAL 73 Ca 0.14 1.47 0.23 0.00 -0.01 0.00 0.00 64.34 66.16 1lnu n VAL 73 Cb 0.45 -2.31 0.46 0.00 -0.91 0.00 0.00 33.84 31.54 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 0.54 0.20 7.52 -0.00 -0.74 0.97 115.31 123.80 1lnu h LEU 74 Ca 0.00 0.15 -0.00 0.00 -0.00 0.00 0.00 57.88 58.03 1lnu h LEU 74 Cb 0.00 0.08 -0.02 0.00 -0.00 0.00 0.00 40.66 40.72 1lnu h LEU 74 CO 0.00 -0.02 -0.27 0.74 -0.00 0.00 0.00 178.44 178.90 1lnu h THR 75 N 0.41 0.00 0.00 0.22 2.02 0.75 0.72 112.91 117.02 1lnu h THR 75 Ca 0.69 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.87 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 -0.49 0.00 0.00 0.29 0.37 0.00 0.00 175.52 175.69 1lnu n LYS 76 N -3.96 0.00 0.00 6.66 5.02 0.18 -1.04 118.16 125.02 1lnu n LYS 76 Ca -0.06 0.64 0.00 0.00 -2.02 0.00 0.00 58.31 56.87 1lnu n LYS 76 Cb 0.23 -1.37 0.00 0.00 -0.02 0.00 0.00 35.03 33.87 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 -2.07 0.00 -0.33 1.97 0.63 0.28 -0.48 116.66 116.66 1lnu n ARG 77 Ca 0.00 0.00 0.08 0.00 -0.92 0.00 0.00 57.85 57.01 1lnu n ARG 77 Cb 0.00 -1.88 0.17 0.00 0.45 0.00 0.00 32.46 31.21 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 -0.89 2.06 -2.79 6.15 2.88 0.24 -4.96 113.62 116.31 1lnu n SER 78 Ca 0.00 -3.48 -0.13 0.00 -1.33 0.00 0.00 58.87 53.93 1lnu n SER 78 Cb 0.40 -0.48 -0.01 0.00 -0.75 0.00 0.00 64.21 63.37 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 -1.28 -2.88 -3.53 -3.46 4.05 0.37 -2.48 115.26 106.05 1lnu n ASN 79 Ca 0.18 0.07 -0.23 0.00 0.45 0.00 0.00 54.58 55.05 1lnu n ASN 79 Cb 0.67 -2.48 0.05 0.00 1.23 0.00 0.00 39.78 39.26 1lnu n ASN 79 CO 0.00 0.00 0.00 -1.20 -3.05 0.00 0.00 177.26 173.01 1lnu n SER 80 N -1.86 -4.47 -4.63 1.20 7.64 -1.05 -4.97 113.62 105.47 1lnu n SER 80 Ca -0.06 -0.85 -0.41 0.00 1.01 0.00 0.00 58.87 58.57 1lnu n SER 80 Cb 0.55 -4.24 -0.06 0.00 -1.01 0.00 0.00 64.21 59.46 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 -3.49 4.94 0.82 0.44 2.01 -1.03 -5.04 115.64 114.28 1lnu s THR 81 Ca 0.32 1.27 -0.11 0.00 0.31 0.00 0.00 61.69 63.47 1lnu s THR 81 Cb -0.08 -3.99 0.08 0.00 0.01 0.00 0.00 72.50 68.52 1lnu s THR 81 CO 0.80 0.00 1.09 -2.16 -0.69 0.00 0.00 174.62 173.66 1lnu s PRO 82 N 2.58 1.89 0.11 4.92 0.04 -1.26 -5.03 135.00 138.26 1lnu s PRO 82 Ca 0.29 0.84 -0.22 0.00 0.04 0.00 0.00 61.00 61.95 1lnu s PRO 82 Cb -0.15 -1.88 -0.07 0.00 0.04 0.00 0.00 34.50 32.43 1lnu s PRO 82 CO 0.08 -1.81 0.67 0.00 0.04 0.00 0.00 177.00 175.99 1lnu s ALA 83 N -3.01 3.51 -0.05 8.56 0.00 -1.26 -5.05 121.76 124.47 1lnu s ALA 83 Ca 0.62 0.20 -0.25 0.00 0.00 0.00 0.00 51.96 52.53 1lnu s ALA 83 Cb -0.16 -2.80 -0.04 0.00 0.00 0.00 0.00 23.12 20.12 1lnu s ALA 83 CO 0.56 0.33 0.75 0.95 0.00 0.00 0.00 175.76 178.35 1lnu s THR 84 N -1.07 4.99 0.85 0.00 -4.23 -1.26 -5.00 115.64 109.93 1lnu s THR 84 Ca 0.33 1.56 -0.11 0.00 -1.18 0.00 0.00 61.69 62.29 1lnu s THR 84 Cb -0.21 -4.09 0.11 0.00 1.34 0.00 0.00 72.50 69.64 1lnu s THR 84 CO 0.23 0.25 1.10 0.20 -0.54 0.00 0.00 174.62 175.85 1lnu s ASN 85 N 0.76 3.73 0.13 3.99 -0.87 -1.26 -4.71 114.94 116.70 1lnu s ASN 85 Ca 0.40 1.78 0.01 0.00 -1.57 0.00 0.00 52.86 53.47 1lnu s ASN 85 Cb -0.18 -2.42 -0.04 0.00 -0.02 0.00 0.00 41.25 38.59 1lnu s ASN 85 CO 0.20 -2.52 0.00 -1.61 -2.57 0.00 0.00 177.10 170.60 1lnu s GLU 86 N -4.84 0.93 -0.37 -0.60 0.41 -0.69 -4.99 118.70 108.55 1lnu s GLU 86 Ca 0.63 -1.43 -0.14 0.00 -0.41 0.00 0.00 54.97 53.63 1lnu s GLU 86 Cb -0.19 -0.03 -0.00 0.00 -1.78 0.00 0.00 34.13 32.13 1lnu s GLU 86 CO 0.57 -0.15 0.26 0.00 -0.49 0.00 0.00 175.26 175.46 1lnu s ALA 87 N -3.81 3.49 0.54 5.21 0.00 -1.26 -4.00 121.76 121.93 1lnu s ALA 87 Ca 0.19 -1.53 -0.16 0.00 0.00 0.00 0.00 51.96 50.47 1lnu s ALA 87 Cb 0.07 -2.76 -0.07 0.00 0.00 0.00 0.00 23.12 20.36 1lnu s ALA 87 CO -0.00 -1.19 1.00 -1.25 0.00 0.00 0.00 175.76 174.32 1lnu s PRO 88 N 1.70 3.82 0.05 0.00 0.04 -1.24 -4.91 135.00 134.46 1lnu s PRO 88 Ca 0.06 0.95 0.00 0.00 0.04 0.00 0.00 61.00 62.05 1lnu s PRO 88 Cb -0.18 -2.12 0.01 0.00 0.04 0.00 0.00 34.50 32.25 1lnu s PRO 88 CO 0.10 -0.38 0.07 1.04 0.04 0.00 0.00 177.00 177.87 1lnu n GLN 89 N -1.81 0.77 -3.57 4.56 6.02 -0.63 -4.96 117.38 117.76 1lnu n GLN 89 Ca 0.07 -0.22 -0.01 0.00 -0.01 0.00 0.00 57.00 56.82 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 -2.41 -2.35 -0.07 -1.58 0.00 -1.26 -4.04 121.76 110.05 1lnu s ALA 90 Ca 0.05 2.19 -0.00 0.00 0.00 0.00 0.00 51.96 54.20 1lnu s ALA 90 Cb -0.00 -1.79 0.02 0.00 0.00 0.00 0.00 23.12 21.35 1lnu s ALA 90 CO 0.03 -0.58 -0.03 0.99 0.00 0.00 0.00 175.76 176.17 1lnu s THR 91 N 1.82 0.57 0.18 0.00 2.01 0.63 -4.97 115.64 115.88 1lnu s THR 91 Ca -0.07 -0.06 0.06 0.00 0.31 0.00 0.00 61.69 61.93 1lnu s THR 91 Cb -0.05 -0.65 -0.04 0.00 0.01 0.00 0.00 72.50 71.77 1lnu s THR 91 CO -0.16 0.27 0.11 -0.69 -0.69 0.00 0.00 174.62 173.45 1lnu s VAL 92 N 1.48 4.26 0.00 3.82 1.01 -1.26 0.13 120.40 129.85 1lnu s VAL 92 Ca -0.02 -1.24 0.00 0.00 0.00 0.00 0.00 61.98 60.73 1lnu s VAL 92 Cb -0.13 -3.19 0.00 0.00 0.00 0.00 0.00 36.38 33.06 1lnu s VAL 92 CO -0.03 -0.15 0.00 2.22 0.00 0.00 0.00 175.10 177.13 1lnu n PHE 93 N -0.43 0.00 -2.55 5.22 -1.74 0.10 -4.97 117.46 113.09 1lnu n PHE 93 Ca -0.08 0.00 -0.40 0.00 -0.56 0.00 0.00 57.45 56.40 1lnu n PHE 93 Cb 0.55 0.00 -0.05 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 -1.59 4.69 0.12 3.97 0.04 -1.26 0.45 135.00 141.42 1lnu s PRO 94 Ca 0.00 1.72 -0.25 0.00 0.04 0.00 0.00 61.00 62.50 1lnu s PRO 94 Cb 0.00 -3.20 -0.05 0.00 0.04 0.00 0.00 34.50 31.28 1lnu s PRO 94 CO 0.00 0.29 1.65 -0.22 0.04 0.00 0.00 177.00 178.75 1lnu h LYS 95 N 3.88 -0.35 -5.37 4.56 3.64 -0.18 -3.44 116.57 119.31 1lnu h LYS 95 Ca -0.46 0.02 -0.56 0.00 -1.27 0.00 0.00 60.65 58.38 1lnu h LYS 95 Cb 1.21 0.08 -0.13 0.00 -0.41 0.00 0.00 32.23 32.97 1lnu h LYS 95 CO 0.67 -0.23 -0.59 -1.54 -2.27 0.00 0.00 179.45 175.49 1lnu s SER 96 N -4.91 3.15 0.51 4.20 1.04 -1.26 -5.05 113.70 111.37 1lnu s SER 96 Ca -0.15 -1.43 -0.22 0.00 0.48 0.00 0.00 55.95 54.63 1lnu s SER 96 Cb 0.09 -0.08 -0.07 0.00 0.10 0.00 0.00 66.02 66.06 1lnu s SER 96 CO 0.66 -0.60 1.16 -0.81 0.98 0.00 0.00 173.24 174.63 1lnu n PRO 97 N -0.87 1.46 -2.22 4.02 -0.04 -1.26 -4.90 135.00 131.18 1lnu n PRO 97 Ca -0.05 0.53 -0.42 0.00 -0.04 0.00 0.00 63.50 63.52 1lnu n PRO 97 Cb 0.67 -2.31 -0.03 0.00 -0.04 0.00 0.00 33.50 31.78 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 -1.33 3.52 -0.35 0.52 1.01 -1.26 -4.97 120.40 117.53 1lnu s VAL 98 Ca 0.69 1.06 0.02 0.00 0.00 0.00 0.00 61.98 63.74 1lnu s VAL 98 Cb -0.46 -3.68 0.15 0.00 0.00 0.00 0.00 36.38 32.39 1lnu s VAL 98 CO 0.52 0.06 0.34 -0.76 0.00 0.00 0.00 175.10 175.26 1lnu s LEU 99 N 1.39 0.03 0.09 3.92 1.02 -1.26 -5.13 118.68 118.73 1lnu s LEU 99 Ca 0.63 -1.47 -0.17 0.00 0.02 0.00 0.00 54.13 53.14 1lnu s LEU 99 Cb -0.34 0.43 -0.10 0.00 0.02 0.00 0.00 46.19 46.19 1lnu s LEU 99 CO 0.29 -0.29 0.37 0.18 0.02 0.00 0.00 176.35 176.91 1lnu n LEU 100 N 4.46 -0.54 0.00 1.79 4.77 -1.26 -0.95 117.00 125.27 1lnu n LEU 100 Ca 0.08 0.64 0.00 0.00 -0.03 0.00 0.00 56.01 56.70 1lnu n LEU 100 Cb 0.44 -0.53 0.00 0.00 -2.33 0.00 0.00 43.42 41.00 1lnu n LEU 100 CO 0.07 -1.54 0.00 0.61 -1.33 0.00 0.00 177.39 175.20 1lnu n GLY 101 N 1.06 2.07 3.69 -0.72 0.00 -0.22 -4.94 105.19 106.13 1lnu n GLY 101 Ca 0.10 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.72 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 4.33 0.15 1.61 2.00 -0.13 -4.85 119.66 122.77 1lnu s GLN 102 Ca 0.00 0.80 -0.34 0.00 -2.00 0.00 0.00 55.36 53.82 1lnu s GLN 102 Cb 0.00 -3.51 -0.16 0.00 0.80 0.00 0.00 33.01 30.13 1lnu s GLN 102 CO 0.00 -0.11 1.15 -2.30 -0.50 0.00 0.00 175.29 173.53 1lnu n PRO 103 N 4.48 1.02 -3.86 1.67 -0.02 -1.26 -4.39 135.00 132.65 1lnu n PRO 103 Ca -0.00 0.37 -0.09 0.00 -2.02 0.00 0.00 63.50 61.75 1lnu n PRO 103 Cb 0.50 -1.86 -0.07 0.00 -0.02 0.00 0.00 33.50 32.06 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 0.01 0.03 -0.13 2.55 3.84 -0.88 -5.03 114.94 115.33 1lnu s ASN 104 Ca 0.75 -0.67 0.03 0.00 0.21 0.00 0.00 52.86 53.18 1lnu s ASN 104 Cb -0.90 0.40 0.01 0.00 -0.55 0.00 0.00 41.25 40.21 1lnu s ASN 104 CO 0.52 -0.81 -0.22 -0.89 -2.79 0.00 0.00 177.10 172.90 1lnu s THR 105 N -3.89 2.06 -0.18 -5.21 2.01 -1.26 -1.38 115.64 107.79 1lnu s THR 105 Ca 0.09 -0.99 -0.17 0.00 0.31 0.00 0.00 61.69 60.93 1lnu s THR 105 Cb 0.04 -1.81 -0.04 0.00 0.01 0.00 0.00 72.50 70.70 1lnu s THR 105 CO -0.07 0.55 0.46 -0.22 -0.69 0.00 0.00 174.62 174.65 1lnu s LEU 106 N 0.73 4.19 -0.13 4.42 2.96 0.47 0.62 118.68 131.94 1lnu s LEU 106 Ca -0.09 0.65 -0.04 0.00 -0.22 0.00 0.00 54.13 54.43 1lnu s LEU 106 Cb -0.16 -2.62 -0.03 0.00 0.50 0.00 0.00 46.19 43.87 1lnu s LEU 106 CO 0.00 -0.08 0.01 -0.63 -1.32 0.00 0.00 176.35 174.33 1lnu s ILE 107 N 1.20 4.33 -0.40 6.68 1.01 0.17 -0.59 121.20 133.60 1lnu s ILE 107 Ca 0.22 -0.22 0.01 0.00 0.00 0.00 0.00 60.65 60.67 1lnu s ILE 107 Cb -0.15 -2.88 0.11 0.00 0.01 0.00 0.00 42.46 39.55 1lnu s ILE 107 CO 0.09 0.54 0.15 0.00 0.00 0.00 0.00 174.94 175.72 1lnu s PHE 109 N 0.78 3.35 -0.15 0.00 5.36 0.34 -2.62 117.98 125.04 1lnu s PHE 109 Ca 0.11 1.21 0.01 0.00 -0.96 0.00 0.00 56.93 57.30 1lnu s PHE 109 Cb -0.21 -3.06 0.00 0.00 -0.34 0.00 0.00 43.02 39.41 1lnu s PHE 109 CO -0.06 -0.36 -0.18 0.08 -1.46 0.00 0.00 175.22 173.24 1lnu s VAL 110 N 2.68 2.39 0.32 3.12 1.01 -0.28 -0.27 120.40 129.37 1lnu s VAL 110 Ca 0.37 -0.86 0.09 0.00 0.00 0.00 0.00 61.98 61.57 1lnu s VAL 110 Cb -0.16 -1.99 -0.06 0.00 0.00 0.00 0.00 36.38 34.17 1lnu s VAL 110 CO 0.09 0.53 -0.09 -0.62 0.00 0.00 0.00 175.10 175.01 1lnu s ASP 111 N 0.84 3.45 -1.13 3.32 -1.08 -1.26 -0.74 116.67 120.07 1lnu s ASP 111 Ca -0.06 -1.19 -0.01 0.00 -0.52 0.00 0.00 52.55 50.77 1lnu s ASP 111 Cb -0.15 -0.30 0.00 0.00 -1.46 0.00 0.00 42.92 41.01 1lnu s ASP 111 CO -0.01 -0.24 0.94 -3.20 0.52 0.00 0.00 175.17 173.18 1lnu n ASN 112 N -0.73 -2.45 -4.76 -0.34 5.15 0.14 -1.61 115.26 110.67 1lnu n ASN 112 Ca -0.05 -0.57 -0.37 0.00 -0.60 0.00 0.00 54.58 53.00 1lnu n ASN 112 Cb 0.63 -4.78 -0.07 0.00 -0.53 0.00 0.00 39.78 35.04 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 -3.33 5.30 -0.30 -1.44 1.01 0.33 -3.68 121.20 119.09 1lnu s ILE 113 Ca 0.06 0.54 -0.17 0.00 0.00 0.00 0.00 60.65 61.08 1lnu s ILE 113 Cb -0.02 -3.61 0.18 0.00 0.01 0.00 0.00 42.46 39.02 1lnu s ILE 113 CO 0.68 0.44 1.15 0.12 0.00 0.00 0.00 174.94 177.33 1lnu s PHE 114 N 0.12 -0.29 0.95 3.97 2.19 -1.26 -0.33 117.98 123.32 1lnu s PHE 114 Ca 0.17 0.54 -0.12 0.00 0.33 0.00 0.00 56.93 57.85 1lnu s PHE 114 Cb -0.13 0.17 0.16 0.00 -1.31 0.00 0.00 43.02 41.91 1lnu s PHE 114 CO 0.05 -0.14 1.12 -1.25 1.83 0.00 0.00 175.22 176.82 1lnu s PRO 115 N 1.55 0.86 -0.93 10.12 0.04 -1.26 -1.70 135.00 143.68 1lnu s PRO 115 Ca -0.06 0.38 -0.09 0.00 0.04 0.00 0.00 61.00 61.27 1lnu s PRO 115 Cb -0.03 -1.80 -0.07 0.00 0.04 0.00 0.00 34.50 32.64 1lnu s PRO 115 CO -0.14 -2.41 2.11 -0.35 0.04 0.00 0.00 177.00 176.26 1lnu n PRO 116 N -3.93 2.06 -3.42 0.56 -0.04 -1.26 -4.56 135.00 124.41 1lnu n PRO 116 Ca 0.06 -1.59 -0.21 0.00 -0.04 0.00 0.00 63.50 61.72 1lnu n PRO 116 Cb 0.58 -2.58 -0.10 0.00 -0.04 0.00 0.00 33.50 31.36 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 3.66 -0.23 0.06 0.52 1.01 -1.26 -5.11 120.40 119.05 1lnu s VAL 117 Ca 0.44 -0.90 0.02 0.00 0.00 0.00 0.00 61.98 61.54 1lnu s VAL 117 Cb 0.11 -0.91 -0.03 0.00 0.00 0.00 0.00 36.38 35.55 1lnu s VAL 117 CO -0.01 -0.64 -0.07 -0.51 0.00 0.00 0.00 175.10 173.87 1lnu s ILE 118 N 1.81 0.58 -0.15 2.22 2.07 -1.26 -4.58 121.20 121.87 1lnu s ILE 118 Ca 0.13 -1.33 0.00 0.00 -1.41 0.00 0.00 60.65 58.04 1lnu s ILE 118 Cb -0.16 -0.92 -0.00 0.00 0.13 0.00 0.00 42.46 41.50 1lnu s ILE 118 CO -0.19 -0.53 -0.15 0.20 -1.91 0.00 0.00 174.94 172.37 1lnu s ASN 119 N -2.01 3.73 -0.17 4.50 0.01 -0.55 -5.01 114.94 115.44 1lnu s ASN 119 Ca -0.04 -0.44 0.00 0.00 -0.71 0.00 0.00 52.86 51.67 1lnu s ASN 119 Cb -0.05 -1.58 0.04 0.00 0.41 0.00 0.00 41.25 40.07 1lnu s ASN 119 CO -0.01 0.09 -0.10 -0.63 -1.51 0.00 0.00 177.10 174.94 1lnu s ILE 120 N 0.76 1.49 -0.05 0.60 1.01 -1.26 -1.37 121.20 122.38 1lnu s ILE 120 Ca -0.06 -0.79 0.04 0.00 0.00 0.00 0.00 60.65 59.84 1lnu s ILE 120 Cb -0.15 -1.53 0.00 0.00 0.01 0.00 0.00 42.46 40.79 1lnu s ILE 120 CO 0.01 0.25 -0.17 0.42 0.00 0.00 0.00 174.94 175.45 1lnu s THR 121 N 1.48 1.42 0.06 2.92 -4.23 0.17 -4.96 115.64 112.50 1lnu s THR 121 Ca 0.01 -0.69 -0.28 0.00 -1.18 0.00 0.00 61.69 59.55 1lnu s THR 121 Cb -0.15 -1.24 -0.05 0.00 1.34 0.00 0.00 72.50 72.41 1lnu s THR 121 CO -0.09 0.41 0.89 0.26 -0.54 0.00 0.00 174.62 175.56 1lnu s TRP 122 N 0.19 3.74 -0.22 3.99 0.23 -1.26 0.69 118.94 126.30 1lnu s TRP 122 Ca -0.07 1.65 0.01 0.00 -2.03 0.00 0.00 56.10 55.66 1lnu s TRP 122 Cb -0.13 -2.98 0.05 0.00 0.03 0.00 0.00 33.47 30.44 1lnu s TRP 122 CO 0.03 0.18 -0.10 -0.51 0.96 0.00 0.00 176.95 177.51 1lnu s LEU 123 N 0.24 2.65 -0.79 2.99 1.43 -0.08 -2.24 118.68 122.88 1lnu s LEU 123 Ca 0.45 -1.09 -0.14 0.00 -1.03 0.00 0.00 54.13 52.32 1lnu s LEU 123 Cb -0.22 -1.31 0.20 0.00 0.03 0.00 0.00 46.19 44.90 1lnu s LEU 123 CO 0.27 -0.17 0.73 -0.60 0.23 0.00 0.00 176.35 176.81 1lnu s ARG 124 N 1.31 3.51 -1.11 1.70 3.52 -1.26 0.67 118.95 127.30 1lnu s ARG 124 Ca -0.04 -2.34 -0.06 0.00 -0.13 0.00 0.00 55.73 53.16 1lnu s ARG 124 Cb -0.18 -4.42 0.01 0.00 -1.56 0.00 0.00 34.95 28.80 1lnu s ARG 124 CO -0.07 -1.30 0.80 0.09 -0.81 0.00 0.00 175.30 174.01 1lnu n ASN 125 N 4.20 -5.38 -2.77 -2.12 3.02 -0.01 -3.28 115.26 108.92 1lnu n ASN 125 Ca 0.10 -0.37 -0.12 0.00 -0.03 0.00 0.00 54.58 54.17 1lnu n ASN 125 Cb 0.46 -4.05 0.06 0.00 -0.61 0.00 0.00 39.78 35.64 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 -1.92 -3.97 -2.80 6.41 7.64 -1.26 -5.00 113.62 112.72 1lnu n SER 126 Ca -0.02 -0.49 -0.02 0.00 1.01 0.00 0.00 58.87 59.36 1lnu n SER 126 Cb 0.56 -3.91 0.05 0.00 -1.01 0.00 0.00 64.21 59.91 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 -2.98 1.62 -0.43 1.43 5.02 -1.20 -5.06 118.16 116.56 1lnu n LYS 127 Ca -0.12 -3.36 0.00 0.00 -2.02 0.00 0.00 58.31 52.81 1lnu n LYS 127 Cb 0.60 -1.46 0.00 0.00 -0.02 0.00 0.00 35.03 34.15 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 -0.56 0.00 -4.75 4.39 7.64 -1.26 -4.69 113.62 114.40 1lnu n SER 128 Ca 0.06 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 5.09 -0.22 0.44 0.11 -0.95 -5.03 120.40 119.84 1lnu s VAL 129 Ca 0.00 1.03 -0.03 0.00 -2.93 0.00 0.00 61.98 60.06 1lnu s VAL 129 Cb 0.00 -3.84 0.07 0.00 -1.53 0.00 0.00 36.38 31.08 1lnu s VAL 129 CO 0.00 0.38 0.05 0.00 -3.33 0.00 0.00 175.10 172.20 1lnu s ALA 130 N 0.18 1.04 0.00 1.54 0.00 -1.26 -4.44 121.76 118.82 1lnu s ALA 130 Ca 0.27 -0.84 0.00 0.00 0.00 0.00 0.00 51.96 51.39 1lnu s ALA 130 Cb -0.16 -1.25 0.00 0.00 0.00 0.00 0.00 23.12 21.71 1lnu s ALA 130 CO 0.13 -1.27 0.00 -0.40 0.00 0.00 0.00 175.76 174.22 1lnu n ASP 131 N 5.04 0.00 -0.29 0.00 5.68 -1.26 -4.94 116.55 120.78 1lnu n ASP 131 Ca -0.08 0.00 -0.04 0.00 -0.50 0.00 0.00 54.79 54.17 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 -1.16 0.53 3.75 6.12 0.00 -1.26 -4.75 105.19 108.43 1lnu n GLY 132 Ca 0.00 -0.12 -0.36 0.00 0.00 0.00 0.00 46.02 45.55 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 -1.69 5.25 0.08 1.61 1.01 -1.26 -0.89 120.40 124.52 1lnu s VAL 133 Ca 0.00 0.13 0.02 0.00 0.00 0.00 0.00 61.98 62.13 1lnu s VAL 133 Cb 0.00 -3.35 -0.04 0.00 0.00 0.00 0.00 36.38 33.00 1lnu s VAL 133 CO 0.00 0.51 -0.08 -0.47 0.00 0.00 0.00 175.10 175.06 1lnu s TYR 134 N -0.14 0.87 0.03 5.22 5.04 0.48 -4.96 117.35 123.89 1lnu s TYR 134 Ca 0.09 -0.75 -0.00 0.00 -2.44 0.00 0.00 57.07 53.97 1lnu s TYR 134 Cb -0.12 -0.50 -0.03 0.00 0.35 0.00 0.00 41.96 41.67 1lnu s TYR 134 CO 0.01 -0.10 -0.03 -2.00 -1.34 0.00 0.00 175.55 172.09 1lnu s GLU 135 N -3.03 0.40 0.38 4.97 2.12 -1.26 0.16 118.70 122.45 1lnu s GLU 135 Ca 0.05 -0.79 0.07 0.00 0.36 0.00 0.00 54.97 54.67 1lnu s GLU 135 Cb -0.00 0.14 -0.01 0.00 0.26 0.00 0.00 34.13 34.52 1lnu s GLU 135 CO -0.02 -0.07 0.46 0.95 -0.54 0.00 0.00 175.26 176.04 1lnu s THR 136 N -2.18 3.27 0.74 -1.70 -4.23 0.51 -4.99 115.64 107.07 1lnu s THR 136 Ca -0.09 -1.13 -0.11 0.00 -1.18 0.00 0.00 61.69 59.18 1lnu s THR 136 Cb -0.05 -3.13 0.04 0.00 1.34 0.00 0.00 72.50 70.70 1lnu s THR 136 CO -0.04 -0.07 1.08 -0.44 -0.54 0.00 0.00 174.62 174.61 1lnu s SER 137 N -4.20 4.87 0.28 3.99 0.01 -1.26 -4.56 113.70 112.84 1lnu s SER 137 Ca 0.49 1.68 -0.29 0.00 1.31 0.00 0.00 55.95 59.13 1lnu s SER 137 Cb -0.08 -2.46 -0.10 0.00 0.21 0.00 0.00 66.02 63.59 1lnu s SER 137 CO 0.30 -1.78 1.38 -0.36 0.41 0.00 0.00 173.24 173.20 1lnu s PHE 138 N -2.99 3.02 0.03 2.43 0.08 -1.26 -4.63 117.98 114.66 1lnu s PHE 138 Ca 0.60 1.19 -0.00 0.00 0.12 0.00 0.00 56.93 58.84 1lnu s PHE 138 Cb -0.16 -3.77 -0.04 0.00 -0.57 0.00 0.00 43.02 38.49 1lnu s PHE 138 CO 0.55 -2.33 0.16 -0.06 -0.10 0.00 0.00 175.22 173.44 1lnu s PHE 139 N -0.49 3.45 0.20 0.36 0.40 0.87 -4.91 117.98 117.86 1lnu s PHE 139 Ca 0.55 0.25 -0.29 0.00 -0.60 0.00 0.00 56.93 56.84 1lnu s PHE 139 Cb -0.41 -1.76 -0.08 0.00 0.51 0.00 0.00 43.02 41.28 1lnu s PHE 139 CO 0.48 0.59 0.92 0.08 0.70 0.00 0.00 175.22 177.99 1lnu s VAL 140 N -1.39 4.20 0.33 -0.44 1.01 -1.26 -2.23 120.40 120.61 1lnu s VAL 140 Ca 0.30 2.02 0.09 0.00 0.00 0.00 0.00 61.98 64.39 1lnu s VAL 140 Cb -0.13 -4.30 -0.05 0.00 0.00 0.00 0.00 36.38 31.91 1lnu s VAL 140 CO 0.22 0.47 0.02 0.20 0.00 0.00 0.00 175.10 176.01 1lnu s ASN 141 N -0.94 4.28 0.10 3.32 0.01 -0.97 -4.90 114.94 115.83 1lnu s ASN 141 Ca 0.41 -0.91 -0.27 0.00 -0.71 0.00 0.00 52.86 51.38 1lnu s ASN 141 Cb -0.25 -0.60 -0.12 0.00 0.41 0.00 0.00 41.25 40.70 1lnu s ASN 141 CO 0.31 -0.20 1.66 -0.09 -1.51 0.00 0.00 177.10 177.27 1lnu h ARG 142 N 1.81 -0.43 -0.87 -0.60 2.43 -1.97 -2.18 114.38 112.56 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 0.10 0.00 0.00 -0.42 0.00 0.00 29.97 30.90 1lnu h ARG 142 CO 0.65 -0.28 0.00 -0.40 -1.51 0.00 0.00 179.97 178.42 1lnu n ASP 143 N -5.33 1.12 -1.47 -3.80 5.68 -1.26 -4.79 116.55 106.70 1lnu n ASP 143 Ca -0.08 -1.51 -0.19 0.00 -0.50 0.00 0.00 54.79 52.51 1lnu n ASP 143 Cb 0.25 -0.38 -0.08 0.00 -1.14 0.00 0.00 41.12 39.77 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 0.24 0.00 -2.14 2.11 0.53 -0.82 -4.98 117.16 112.11 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 0.23 -3.30 0.00 0.00 -1.03 0.00 0.00 39.34 35.24 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 -1.23 0.00 -3.65 7.72 3.41 -1.26 -4.87 113.62 113.74 1lnu n SER 145 Ca -0.19 -0.63 -0.17 0.00 -0.26 0.00 0.00 58.87 57.61 1lnu n SER 145 Cb 0.65 0.00 -0.09 0.00 -0.26 0.00 0.00 64.21 64.51 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 0.87 1.58 -0.18 7.33 0.40 0.55 -2.30 117.98 126.23 1lnu s PHE 146 Ca 0.00 -1.56 -0.13 0.00 -0.60 0.00 0.00 56.93 54.64 1lnu s PHE 146 Cb 0.00 -0.69 0.05 0.00 0.51 0.00 0.00 43.02 42.89 1lnu s PHE 146 CO 0.00 -0.77 0.45 -3.38 0.70 0.00 0.00 175.22 172.22 1lnu s HIS 147 N -3.66 -0.58 0.32 0.36 -3.43 -0.95 0.12 115.29 107.48 1lnu s HIS 147 Ca 0.40 1.31 0.07 0.00 -0.80 0.00 0.00 55.06 56.04 1lnu s HIS 147 Cb 0.04 0.24 -0.06 0.00 -1.43 0.00 0.00 32.58 31.37 1lnu s HIS 147 CO 0.22 -0.30 -0.03 0.21 -2.00 0.00 0.00 174.74 172.84 1lnu s LYS 148 N 0.81 1.68 0.04 -0.38 2.20 0.08 -0.09 119.74 124.08 1lnu s LYS 148 Ca -0.05 -1.89 0.04 0.00 -0.36 0.00 0.00 55.97 53.72 1lnu s LYS 148 Cb -0.05 -1.27 -0.02 0.00 -1.51 0.00 0.00 37.83 34.97 1lnu s LYS 148 CO -0.06 0.00 -0.13 -0.51 -0.36 0.00 0.00 175.35 174.29 1lnu s LEU 149 N -3.52 2.19 0.05 5.43 2.01 -1.26 -1.13 118.68 122.45 1lnu s LEU 149 Ca 0.32 -0.48 0.05 0.00 0.01 0.00 0.00 54.13 54.03 1lnu s LEU 149 Cb 0.05 -0.52 -0.02 0.00 0.01 0.00 0.00 46.19 45.71 1lnu s LEU 149 CO 0.14 -0.01 -0.15 -0.55 1.01 0.00 0.00 176.35 176.79 1lnu s SER 150 N -1.25 1.72 -0.03 2.29 0.15 -1.08 -0.36 113.70 115.14 1lnu s SER 150 Ca -0.00 -0.52 0.04 0.00 0.70 0.00 0.00 55.95 56.17 1lnu s SER 150 Cb -0.08 -0.09 -0.00 0.00 -1.71 0.00 0.00 66.02 64.13 1lnu s SER 150 CO 0.01 0.00 -0.14 -0.31 1.20 0.00 0.00 173.24 174.00 1lnu s TYR 151 N -0.99 1.40 -0.25 3.44 1.51 0.42 -1.56 117.35 121.32 1lnu s TYR 151 Ca 0.01 -0.36 0.00 0.00 -1.01 0.00 0.00 57.07 55.71 1lnu s TYR 151 Cb -0.09 -0.95 0.04 0.00 -0.11 0.00 0.00 41.96 40.86 1lnu s TYR 151 CO 0.02 -0.11 -0.09 -1.17 -1.11 0.00 0.00 175.55 173.09 1lnu s LEU 152 N -0.02 3.22 -0.37 -1.29 0.20 0.24 -0.39 118.68 120.27 1lnu s LEU 152 Ca -0.01 -1.06 -0.26 0.00 0.69 0.00 0.00 54.13 53.48 1lnu s LEU 152 Cb -0.09 -1.61 0.02 0.00 -0.43 0.00 0.00 46.19 44.08 1lnu s LEU 152 CO 0.01 -0.15 0.94 -0.89 -0.29 0.00 0.00 176.35 175.98 1lnu s THR 153 N 1.24 4.57 0.28 3.68 2.01 -0.07 -0.39 115.64 126.96 1lnu s THR 153 Ca -0.03 1.25 0.04 0.00 0.31 0.00 0.00 61.69 63.26 1lnu s THR 153 Cb -0.18 -4.35 -0.03 0.00 0.01 0.00 0.00 72.50 67.95 1lnu s THR 153 CO -0.05 -0.54 0.22 0.72 -0.69 0.00 0.00 174.62 174.28 1lnu s PHE 154 N 3.51 1.55 -0.15 4.92 -0.71 -0.48 -4.84 117.98 121.78 1lnu s PHE 154 Ca 0.39 -1.56 0.00 0.00 -1.04 0.00 0.00 56.93 54.72 1lnu s PHE 154 Cb -0.12 -0.67 -0.00 0.00 -1.21 0.00 0.00 43.02 41.02 1lnu s PHE 154 CO 0.19 -0.78 -0.16 0.42 -1.34 0.00 0.00 175.22 173.55 1lnu s ILE 155 N -3.70 2.67 0.13 -4.49 1.01 -1.26 -2.06 121.20 113.49 1lnu s ILE 155 Ca 0.40 -0.77 -0.25 0.00 0.00 0.00 0.00 60.65 60.03 1lnu s ILE 155 Cb 0.04 -2.12 -0.07 0.00 0.01 0.00 0.00 42.46 40.32 1lnu s ILE 155 CO 0.22 0.52 0.75 -2.16 0.00 0.00 0.00 174.94 174.27 1lnu s PRO 156 N 0.74 4.51 -0.11 2.79 0.04 -1.26 -4.89 135.00 136.83 1lnu s PRO 156 Ca -0.07 1.09 -0.05 0.00 0.04 0.00 0.00 61.00 62.01 1lnu s PRO 156 Cb -0.15 -3.29 0.05 0.00 0.04 0.00 0.00 34.50 31.15 1lnu s PRO 156 CO 0.01 0.51 0.24 -1.12 0.04 0.00 0.00 177.00 176.68 1lnu s SER 157 N -0.86 -0.14 0.00 6.66 0.01 -1.26 -1.06 113.70 117.05 1lnu s SER 157 Ca 0.36 0.52 0.00 0.00 1.31 0.00 0.00 55.95 58.14 1lnu s SER 157 Cb -0.22 0.44 0.00 0.00 0.21 0.00 0.00 66.02 66.45 1lnu s SER 157 CO 0.25 -0.18 0.29 -0.90 0.41 0.00 0.00 173.24 173.11 1lnu n ASP 158 N 4.43 0.79 0.04 2.44 5.75 -1.26 -3.54 116.55 125.20 1lnu n ASP 158 Ca -0.22 -1.21 0.00 0.00 -0.01 0.00 0.00 54.79 53.35 1lnu n ASP 158 Cb 0.52 -0.17 0.00 0.00 -1.03 0.00 0.00 41.12 40.45 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 1.92 -0.01 -4.65 -1.12 5.75 -1.26 -5.06 116.55 112.13 1lnu n ASP 159 Ca 0.00 0.14 -0.29 0.00 -0.01 0.00 0.00 54.79 54.64 1lnu n ASP 159 Cb 0.07 0.10 0.19 0.00 -1.03 0.00 0.00 41.12 40.46 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 -4.43 2.39 0.30 -1.12 3.84 -1.23 -5.07 116.67 111.34 1lnu s ASP 160 Ca 0.00 1.25 0.02 0.00 -0.00 0.00 0.00 52.55 53.83 1lnu s ASP 160 Cb 0.00 -1.94 -0.02 0.00 -1.38 0.00 0.00 42.92 39.58 1lnu s ASP 160 CO 0.00 -3.28 0.29 0.27 -0.00 0.00 0.00 175.17 172.45 1lnu s ILE 161 N -2.89 0.00 0.20 2.11 -4.36 -1.26 -4.88 121.20 110.12 1lnu s ILE 161 Ca 0.66 -1.89 0.03 0.00 -0.26 0.00 0.00 60.65 59.19 1lnu s ILE 161 Cb -0.20 -2.51 -0.05 0.00 1.25 0.00 0.00 42.46 40.95 1lnu s ILE 161 CO 0.59 0.00 -0.01 -0.31 0.24 0.00 0.00 174.94 175.45 1lnu s TYR 162 N -3.57 1.37 -0.25 1.37 2.02 -1.09 -0.83 117.35 116.36 1lnu s TYR 162 Ca 0.37 -0.95 -0.04 0.00 -0.37 0.00 0.00 57.07 56.08 1lnu s TYR 162 Cb 0.03 -0.78 0.14 0.00 -0.40 0.00 0.00 41.96 40.95 1lnu s TYR 162 CO 0.21 -0.11 0.46 -0.51 -1.57 0.00 0.00 175.55 174.03 1lnu s ASP 163 N -3.23 -0.37 -0.21 2.29 1.01 0.21 -2.83 116.67 113.54 1lnu s ASP 163 Ca 0.25 0.63 -0.29 0.00 0.71 0.00 0.00 52.55 53.85 1lnu s ASP 163 Cb 0.06 1.51 -0.00 0.00 1.01 0.00 0.00 42.92 45.50 1lnu s ASP 163 CO 0.06 -0.27 1.19 0.00 0.21 0.00 0.00 175.17 176.35 1lnu s LYS 165 N 3.51 3.60 -0.10 0.00 2.20 0.22 -2.20 119.74 126.96 1lnu s LYS 165 Ca 0.51 -0.49 0.03 0.00 -0.36 0.00 0.00 55.97 55.66 1lnu s LYS 165 Cb -0.18 -3.78 -0.01 0.00 -1.51 0.00 0.00 37.83 32.35 1lnu s LYS 165 CO 0.13 -0.44 -0.19 0.08 -0.36 0.00 0.00 175.35 174.57 1lnu s VAL 166 N 1.85 2.51 -0.05 4.02 1.01 -0.75 0.43 120.40 129.42 1lnu s VAL 166 Ca 0.09 -0.87 0.03 0.00 0.00 0.00 0.00 61.98 61.23 1lnu s VAL 166 Cb -0.17 -2.00 0.00 0.00 0.00 0.00 0.00 36.38 34.22 1lnu s VAL 166 CO 0.11 0.55 -0.14 -1.61 0.00 0.00 0.00 175.10 174.01 1lnu s GLU 167 N 0.20 1.69 -0.16 2.72 2.02 -0.47 -0.31 118.70 124.39 1lnu s GLU 167 Ca -0.12 -0.50 -0.17 0.00 0.02 0.00 0.00 54.97 54.20 1lnu s GLU 167 Cb -0.16 -1.44 0.05 0.00 0.10 0.00 0.00 34.13 32.68 1lnu s GLU 167 CO 0.06 0.14 0.47 -1.58 0.02 0.00 0.00 175.26 174.37 1lnu s HIS 168 N 0.31 -0.50 -1.08 1.61 2.46 -1.26 -1.47 115.29 115.35 1lnu s HIS 168 Ca -0.09 1.21 0.00 0.00 0.47 0.00 0.00 55.06 56.65 1lnu s HIS 168 Cb -0.13 0.18 0.00 0.00 -0.13 0.00 0.00 32.58 32.50 1lnu s HIS 168 CO 0.03 -0.27 0.76 0.91 -2.47 0.00 0.00 174.74 173.70 1lnu n TRP 169 N 2.68 0.00 1.08 3.88 8.01 -1.26 -0.56 117.44 131.26 1lnu n TRP 169 Ca -0.14 0.00 0.12 0.00 -1.31 0.00 0.00 57.50 56.17 1lnu n TRP 169 Cb 0.57 -0.29 0.27 0.00 -2.01 0.00 0.00 31.31 29.85 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 -1.26 -0.99 3.29 6.99 0.00 -1.26 -4.83 105.19 107.13 1lnu n GLY 170 Ca 0.00 -0.39 -0.33 0.00 0.00 0.00 0.00 46.02 45.31 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 -2.82 2.46 0.31 0.99 0.05 0.27 -4.34 118.68 115.60 1lnu s LEU 171 Ca 0.16 -0.44 0.06 0.00 0.05 0.00 0.00 54.13 53.95 1lnu s LEU 171 Cb 0.18 -1.54 0.84 0.00 -2.05 0.00 0.00 46.19 43.62 1lnu s LEU 171 CO 0.64 0.13 1.63 1.05 -0.55 0.00 0.00 176.35 179.26 1lnu h GLU 172 N 6.94 0.18 -2.54 1.48 9.09 -1.88 -3.42 114.58 124.43 1lnu h GLU 172 Ca -0.27 -0.01 -0.09 0.00 0.05 0.00 0.00 59.36 59.04 1lnu h GLU 172 Cb 1.21 -0.04 -0.20 0.00 -1.65 0.00 0.00 28.75 28.07 1lnu h GLU 172 CO 0.54 0.12 -0.07 -1.83 0.05 0.00 0.00 179.01 177.82 1lnu s GLU 173 N -5.86 0.80 0.00 1.06 -1.05 -1.26 -5.12 118.70 107.28 1lnu s GLU 173 Ca -0.12 0.16 -0.20 0.00 -0.15 0.00 0.00 54.97 54.67 1lnu s GLU 173 Cb 0.28 0.37 -0.10 0.00 -0.44 0.00 0.00 34.13 34.24 1lnu s GLU 173 CO 0.78 -0.21 0.54 -2.30 0.95 0.00 0.00 175.26 175.01 1lnu n PRO 174 N 1.46 0.00 -3.35 -4.83 -0.02 -1.26 -4.93 135.00 122.07 1lnu n PRO 174 Ca -0.19 0.00 -0.38 0.00 -2.02 0.00 0.00 63.50 60.91 1lnu n PRO 174 Cb 0.56 -0.76 -0.06 0.00 -0.02 0.00 0.00 33.50 33.22 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 -0.02 4.98 -0.26 -1.45 1.01 0.58 -4.92 120.40 120.31 1lnu s VAL 175 Ca 0.46 1.03 -0.01 0.00 0.00 0.00 0.00 61.98 63.46 1lnu s VAL 175 Cb -0.65 -3.82 0.03 0.00 0.00 0.00 0.00 36.38 31.94 1lnu s VAL 175 CO 0.29 0.48 -0.05 -0.22 0.00 0.00 0.00 175.10 175.60 1lnu s LEU 176 N -0.50 3.36 -0.36 3.92 2.96 -1.26 -1.82 118.68 124.99 1lnu s LEU 176 Ca 0.27 -1.01 -0.11 0.00 -0.22 0.00 0.00 54.13 53.05 1lnu s LEU 176 Cb -0.17 -1.66 0.01 0.00 0.50 0.00 0.00 46.19 44.87 1lnu s LEU 176 CO 0.15 -0.16 0.21 -0.75 -1.32 0.00 0.00 176.35 174.47 1lnu s LYS 177 N 1.29 3.07 -0.09 1.98 2.47 -0.93 -4.98 119.74 122.54 1lnu s LYS 177 Ca -0.02 -0.92 -0.14 0.00 -1.56 0.00 0.00 55.97 53.34 1lnu s LYS 177 Cb -0.18 -3.72 -0.05 0.00 -1.46 0.00 0.00 37.83 32.42 1lnu s LYS 177 CO -0.04 -0.59 0.33 -1.58 0.16 0.00 0.00 175.35 173.63 1lnu s HIS 178 N 1.61 3.59 0.01 4.03 5.65 -1.26 -1.52 115.29 127.39 1lnu s HIS 178 Ca 0.04 0.77 0.00 0.00 0.25 0.00 0.00 55.06 56.12 1lnu s HIS 178 Cb -0.18 -2.28 -0.01 0.00 -1.18 0.00 0.00 32.58 28.93 1lnu s HIS 178 CO 0.07 0.47 -0.02 -0.46 -0.65 0.00 0.00 174.74 174.15 1lnu s TRP 179 N -0.35 0.15 -0.09 3.88 -0.00 -1.13 -5.01 118.94 116.38 1lnu s TRP 179 Ca 0.20 -0.18 -0.30 0.00 -0.00 0.00 0.00 56.10 55.82 1lnu s TRP 179 Cb -0.14 -0.10 0.08 0.00 -0.00 0.00 0.00 33.47 33.30 1lnu s TRP 179 CO 0.08 -0.06 0.73 -2.00 -0.00 0.00 0.00 176.95 175.70 1lnu s GLU 180 N -0.50 0.97 0.58 5.86 2.12 -1.26 -2.68 118.70 123.78 1lnu s GLU 180 Ca -0.05 0.33 0.34 0.00 0.36 0.00 0.00 54.97 55.96 1lnu s GLU 180 Cb -0.04 0.46 1.77 0.00 0.26 0.00 0.00 34.13 36.59 1lnu s GLU 180 CO -0.00 -0.28 2.16 -1.00 -0.54 0.00 0.00 175.26 175.60 1lnu h PRO 181 N 3.19 0.00 -0.03 4.30 0.13 -1.93 -3.51 132.00 134.15 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 0.34 0.05 0.00 0.39 -0.23 0.00 0.00 178.00 178.55