#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1cee s GLN 2 N 0.00 0.30 -0.02 2.12 -1.52 -1.26 -5.11 119.66 114.16 1cee s GLN 2 Ca 0.00 -0.48 -0.01 0.00 -1.95 0.00 0.00 55.36 52.92 1cee s GLN 2 Cb 0.00 -0.03 0.01 0.00 -0.22 0.00 0.00 33.01 32.77 1cee s GLN 2 CO 0.00 -0.01 0.05 0.99 -0.25 0.00 0.00 175.29 176.07 1cee s THR 3 N -1.03 -0.02 -0.23 -0.19 2.01 -1.26 -2.42 115.64 112.51 1cee s THR 3 Ca -0.10 0.06 -0.12 0.00 0.31 0.00 0.00 61.69 61.84 1cee s THR 3 Cb -0.07 -0.09 -0.05 0.00 0.01 0.00 0.00 72.50 72.30 1cee s THR 3 CO -0.00 0.03 0.24 -0.63 -0.69 0.00 0.00 174.62 173.56 1cee s ILE 4 N 0.35 5.31 -1.31 1.82 1.09 -1.16 -4.89 121.20 122.40 1cee s ILE 4 Ca -0.03 0.34 -0.16 0.00 -1.10 0.00 0.00 60.65 59.71 1cee s ILE 4 Cb -0.04 -3.57 0.10 0.00 -1.06 0.00 0.00 42.46 37.88 1cee s ILE 4 CO -0.01 0.31 1.78 1.17 -0.10 0.00 0.00 174.94 178.08 1cee n LYS 5 N 4.41 3.21 -3.28 2.79 3.00 -1.26 0.14 118.16 127.16 1cee n LYS 5 Ca -0.13 -3.30 -0.39 0.00 -0.00 0.00 0.00 58.31 54.50 1cee n LYS 5 Cb 0.52 -3.31 -0.06 0.00 0.00 0.00 0.00 35.03 32.18 1cee n LYS 5 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1cee s VAL 7 N -1.12 -0.01 -0.01 0.00 0.11 -1.26 -1.25 120.40 116.87 1cee s VAL 7 Ca 0.29 0.04 -0.22 0.00 -2.93 0.00 0.00 61.98 59.17 1cee s VAL 7 Cb -0.19 -0.49 -0.05 0.00 -1.53 0.00 0.00 36.38 34.12 1cee s VAL 7 CO 0.19 0.02 0.65 -0.69 -3.33 0.00 0.00 175.10 171.93 1cee s VAL 8 N 0.62 4.90 0.03 2.04 1.01 0.43 -2.12 120.40 127.31 1cee s VAL 8 Ca -0.04 1.35 0.06 0.00 0.00 0.00 0.00 61.98 63.36 1cee s VAL 8 Cb -0.05 -3.99 -0.02 0.00 0.00 0.00 0.00 36.38 32.32 1cee s VAL 8 CO -0.04 0.37 -0.17 0.68 0.00 0.00 0.00 175.10 175.95 1cee s VAL 9 N 0.04 1.33 0.00 2.92 -7.23 0.12 -3.63 120.40 113.95 1cee s VAL 9 Ca 0.34 -1.03 0.00 0.00 -1.81 0.00 0.00 61.98 59.48 1cee s VAL 9 Cb -0.19 -1.17 0.00 0.00 0.56 0.00 0.00 36.38 35.58 1cee s VAL 9 CO 0.18 0.13 0.00 0.61 -0.31 0.00 0.00 175.10 175.71 1cee n GLY 10 N 1.99 3.41 3.19 2.32 0.00 -1.26 -3.11 105.19 111.73 1cee n GLY 10 Ca -0.17 -0.57 -0.35 0.00 0.00 0.00 0.00 46.02 44.93 1cee n GLY 10 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1cee s ASP 11 N 0.00 4.61 0.00 1.61 1.01 -1.26 -4.58 116.67 118.06 1cee s ASP 11 Ca 0.00 -1.06 0.00 0.00 0.71 0.00 0.00 52.55 52.20 1cee s ASP 11 Cb 0.00 -1.69 0.00 0.00 1.01 0.00 0.00 42.92 42.24 1cee s ASP 11 CO 0.00 -0.19 0.00 0.61 0.21 0.00 0.00 175.17 175.80 1cee n GLY 12 N 4.65 0.35 2.83 0.21 0.00 -1.26 -5.01 105.19 106.96 1cee n GLY 12 Ca -0.15 -1.34 -0.13 0.00 0.00 0.00 0.00 46.02 44.40 1cee n GLY 12 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1cee s ALA 13 N -1.39 -0.77 -0.06 4.61 0.00 -1.26 -4.91 121.76 117.98 1cee s ALA 13 Ca 0.00 0.16 0.05 0.00 0.00 0.00 0.00 51.96 52.17 1cee s ALA 13 Cb 0.00 -1.79 -0.07 0.00 0.00 0.00 0.00 23.12 21.26 1cee s ALA 13 CO 0.00 -1.57 0.02 1.33 0.00 0.00 0.00 175.76 175.54 1cee n VAL 14 N 5.33 0.38 0.00 0.00 0.24 -1.26 -4.93 118.33 118.09 1cee n VAL 14 Ca -0.02 -0.23 0.00 0.00 -2.04 0.00 0.00 64.34 62.05 1cee n VAL 14 Cb 0.48 -0.85 0.00 0.00 -1.47 0.00 0.00 33.84 32.01 1cee n VAL 14 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1cee n GLY 15 N 2.68 1.56 0.14 7.63 0.00 -1.26 -4.11 105.19 111.83 1cee n GLY 15 Ca -0.09 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.85 1cee n GLY 15 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 1cee h LYS 16 N 0.17 0.24 -0.83 1.61 2.10 -1.96 -2.07 116.57 115.84 1cee h LYS 16 Ca 0.00 -0.01 0.05 0.00 -2.00 0.00 0.00 60.65 58.68 1cee h LYS 16 Cb 0.00 -0.06 -0.05 0.00 -0.90 0.00 0.00 32.23 31.22 1cee h LYS 16 CO 0.00 0.16 0.55 1.15 -2.00 0.00 0.00 179.45 179.31 1cee h THR 17 N 0.25 1.09 0.00 0.07 2.02 -2.00 -0.34 112.91 114.00 1cee h THR 17 Ca 0.13 -0.34 -0.00 0.00 0.77 0.00 0.00 66.41 66.97 1cee h THR 17 Cb 0.08 0.03 -0.00 0.00 -1.74 0.00 0.00 68.15 66.52 1cee h THR 17 CO -0.12 0.18 -0.02 0.00 0.37 0.00 0.00 175.52 175.93 1cee h LEU 19 N 0.00 0.60 -1.14 0.00 6.46 -0.87 -3.11 115.31 117.25 1cee h LEU 19 Ca -0.00 -0.92 0.20 0.00 -0.12 0.00 0.00 57.88 57.04 1cee h LEU 19 Cb 0.04 -0.19 -0.10 0.00 -0.73 0.00 0.00 40.66 39.68 1cee h LEU 19 CO 0.00 1.61 0.62 -0.07 -0.62 0.00 0.00 178.44 179.98 1cee h LEU 20 N -0.11 0.68 -0.12 2.25 3.38 -0.94 0.79 115.31 121.24 1cee h LEU 20 Ca -0.25 0.08 -0.17 0.00 0.09 0.00 0.00 57.88 57.63 1cee h LEU 20 Cb 1.91 -0.04 0.01 0.00 0.09 0.00 0.00 40.66 42.63 1cee h LEU 20 CO 0.18 0.24 -0.61 0.40 0.09 0.00 0.00 178.44 178.74 1cee h ILE 21 N 0.66 1.34 0.00 1.22 1.08 -1.62 -3.07 117.51 117.12 1cee h ILE 21 Ca 0.56 -1.89 0.00 0.00 -0.39 0.00 0.00 64.86 63.14 1cee h ILE 21 Cb 1.00 2.14 0.00 0.00 -3.07 0.00 0.00 36.82 36.89 1cee h ILE 21 CO -0.33 0.58 0.00 -1.54 -0.69 0.00 0.00 178.15 176.17 1cee n SER 22 N -4.13 0.00 0.05 1.72 3.41 -0.30 -0.50 113.62 113.87 1cee n SER 22 Ca -0.08 0.32 0.01 0.00 -0.26 0.00 0.00 58.87 58.87 1cee n SER 22 Cb 0.66 -0.44 -0.07 0.00 -0.26 0.00 0.00 64.21 64.10 1cee n SER 22 CO 0.00 0.00 0.00 0.22 -0.16 0.00 0.00 175.04 175.10 1cee h TYR 23 N 0.00 0.00 0.00 7.33 3.20 0.57 -2.28 116.97 125.79 1cee h TYR 23 Ca 0.00 0.00 -0.17 0.00 3.14 0.00 0.00 58.73 61.70 1cee h TYR 23 Cb 0.43 0.00 -0.03 0.00 1.54 0.00 0.00 36.73 38.67 1cee h TYR 23 CO 0.00 0.51 -1.67 0.25 -1.64 0.00 0.00 178.16 175.62 1cee n THR 24 N -2.90 0.64 0.06 1.81 -2.24 -1.17 -4.66 114.28 105.83 1cee n THR 24 Ca -0.08 -0.41 0.07 0.00 -2.27 0.00 0.00 64.05 61.37 1cee n THR 24 Cb 0.80 -0.68 -0.11 0.00 -2.10 0.00 0.00 70.33 68.24 1cee n THR 24 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 1cee n THR 25 N -2.34 0.00 -1.30 4.28 -2.24 0.35 -4.99 114.28 108.04 1cee n THR 25 Ca -0.15 -0.32 -0.10 0.00 -2.27 0.00 0.00 64.05 61.20 1cee n THR 25 Cb 0.79 0.24 -0.04 0.00 -2.10 0.00 0.00 70.33 69.22 1cee n THR 25 CO 0.00 0.00 0.00 -3.20 -0.57 0.00 0.00 175.07 171.30 1cee n ASN 26 N -1.95 -4.41 -4.08 3.42 2.85 -0.86 -4.95 115.26 105.28 1cee n ASN 26 Ca -0.02 0.25 -0.31 0.00 -0.11 0.00 0.00 54.58 54.39 1cee n ASN 26 Cb 0.37 -2.80 -0.16 0.00 1.24 0.00 0.00 39.78 38.43 1cee n ASN 26 CO 0.00 0.00 0.00 -0.75 -2.11 0.00 0.00 177.26 174.40 1cee s LYS 27 N -2.76 2.65 -0.38 1.20 2.36 -1.26 -4.94 119.74 116.61 1cee s LYS 27 Ca 0.00 -0.70 -0.29 0.00 -2.55 0.00 0.00 55.97 52.43 1cee s LYS 27 Cb 0.00 -2.31 0.00 0.00 -1.05 0.00 0.00 37.83 34.47 1cee s LYS 27 CO 0.00 -0.19 1.44 0.12 1.55 0.00 0.00 175.35 178.26 1cee s PHE 28 N 1.31 2.37 0.00 4.03 5.36 -1.26 -3.57 117.98 126.23 1cee s PHE 28 Ca 0.03 0.69 0.00 0.00 -0.96 0.00 0.00 56.93 56.69 1cee s PHE 28 Cb -0.13 -4.23 0.00 0.00 -0.34 0.00 0.00 43.02 38.32 1cee s PHE 28 CO -0.10 -2.07 0.00 -2.30 -1.46 0.00 0.00 175.22 169.29 1cee n PRO 29 N 7.99 -0.34 0.00 10.12 -0.02 -1.26 -5.04 135.00 146.45 1cee n PRO 29 Ca 0.17 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.65 1cee n PRO 29 Cb 0.48 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 33.96 1cee n PRO 29 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 1cee n SER 30 N -1.36 0.00 -4.77 2.55 2.88 -1.26 -5.09 113.62 106.57 1cee n SER 30 Ca 0.00 0.00 -0.34 0.00 -1.33 0.00 0.00 58.87 57.20 1cee n SER 30 Cb 0.00 0.07 0.02 0.00 -0.75 0.00 0.00 64.21 63.55 1cee n SER 30 CO 0.00 0.00 0.00 -0.70 -1.23 0.00 0.00 175.04 173.11 1cee s GLU 31 N -1.38 3.14 -0.17 -1.46 2.56 -1.26 -5.06 118.70 115.06 1cee s GLU 31 Ca 0.00 1.52 -0.07 0.00 0.00 0.00 0.00 54.97 56.42 1cee s GLU 31 Cb 0.00 -1.98 0.08 0.00 2.00 0.00 0.00 34.13 34.22 1cee s GLU 31 CO 0.00 -1.01 0.37 1.52 -0.56 0.00 0.00 175.26 175.59 1cee s TYR 32 N -2.00 -0.66 0.00 5.30 -0.85 -1.26 -4.93 117.35 112.95 1cee s TYR 32 Ca 0.70 1.32 0.00 0.00 -0.52 0.00 0.00 57.07 58.58 1cee s TYR 32 Cb -0.22 0.21 0.00 0.00 0.38 0.00 0.00 41.96 42.32 1cee s TYR 32 CO 0.33 -0.42 0.00 1.55 -1.52 0.00 0.00 175.55 175.49 1cee n VAL 33 N 5.14 0.00 0.31 -3.49 3.14 -1.26 -4.99 118.33 117.18 1cee n VAL 33 Ca -0.11 0.00 0.11 0.00 -2.96 0.00 0.00 64.34 61.38 1cee n VAL 33 Cb 0.51 0.00 0.50 0.00 -1.06 0.00 0.00 33.84 33.78 1cee n VAL 33 CO 0.00 0.00 0.00 -2.65 -6.46 0.00 0.00 176.83 167.72 1cee n PRO 34 N 0.00 0.16 -1.69 1.45 -0.02 -1.26 -4.77 135.00 128.87 1cee n PRO 34 Ca 0.00 0.49 -0.53 0.00 -2.02 0.00 0.00 63.50 61.43 1cee n PRO 34 Cb 0.00 -1.87 -0.06 0.00 -0.02 0.00 0.00 33.50 31.55 1cee n PRO 34 CO 0.00 0.00 0.00 2.41 1.98 0.00 0.00 175.50 179.89 1cee n THR 35 N -2.19 0.39 0.00 3.45 -1.04 -1.26 -4.61 114.28 109.02 1cee n THR 35 Ca 0.01 -0.07 0.00 0.00 -2.04 0.00 0.00 64.05 61.95 1cee n THR 35 Cb 0.16 -1.47 0.00 0.00 -1.82 0.00 0.00 70.33 67.20 1cee n THR 35 CO 0.00 0.00 0.00 0.55 -0.64 0.00 0.00 175.07 174.98 1cee n VAL 36 N 4.66 0.00 -2.92 12.58 3.14 -1.26 -4.86 118.33 129.67 1cee n VAL 36 Ca 0.24 0.00 0.02 0.00 -2.96 0.00 0.00 64.34 61.64 1cee n VAL 36 Cb 0.20 -0.10 0.00 0.00 -1.06 0.00 0.00 33.84 32.88 1cee n VAL 36 CO 0.00 0.00 0.00 0.12 -6.46 0.00 0.00 176.83 170.49 1cee s PHE 37 N -1.90 -0.74 -0.22 1.45 5.36 -1.26 -3.58 117.98 117.10 1cee s PHE 37 Ca 0.00 0.15 0.02 0.00 -0.96 0.00 0.00 56.93 56.14 1cee s PHE 37 Cb 0.00 0.13 0.04 0.00 -0.34 0.00 0.00 43.02 42.85 1cee s PHE 37 CO 0.00 -0.49 -0.15 0.16 -1.46 0.00 0.00 175.22 173.28 1cee s ASP 38 N 2.05 3.70 -0.13 6.13 -4.77 -1.25 -4.98 116.67 117.44 1cee s ASP 38 Ca 0.16 -0.99 -0.04 0.00 -3.30 0.00 0.00 52.55 48.38 1cee s ASP 38 Cb 0.01 -1.46 -0.03 0.00 -1.09 0.00 0.00 42.92 40.34 1cee s ASP 38 CO -0.14 -0.10 0.02 0.21 0.70 0.00 0.00 175.17 175.86 1cee s ASN 39 N 1.23 5.34 0.12 2.11 2.47 -1.26 -2.94 114.94 122.01 1cee s ASN 39 Ca -0.02 0.10 0.03 0.00 0.42 0.00 0.00 52.86 53.39 1cee s ASN 39 Cb -0.16 -1.71 -0.04 0.00 -1.45 0.00 0.00 41.25 37.89 1cee s ASN 39 CO -0.09 0.29 -0.07 -0.31 -3.72 0.00 0.00 177.10 173.19 1cee s TYR 40 N -0.33 1.07 -0.13 0.43 2.02 -0.94 -5.01 117.35 114.47 1cee s TYR 40 Ca 0.07 -0.86 -0.00 0.00 -0.37 0.00 0.00 57.07 55.91 1cee s TYR 40 Cb -0.12 -0.58 0.03 0.00 -0.40 0.00 0.00 41.96 40.88 1cee s TYR 40 CO 0.02 -0.06 -0.08 0.00 -1.57 0.00 0.00 175.55 173.86 1cee s ALA 41 N -3.51 1.40 -0.06 3.71 0.00 -1.26 -0.37 121.76 121.67 1cee s ALA 41 Ca 0.15 -0.63 -0.03 0.00 0.00 0.00 0.00 51.96 51.45 1cee s ALA 41 Cb 0.04 -0.96 -0.04 0.00 0.00 0.00 0.00 23.12 22.16 1cee s ALA 41 CO -0.02 -0.48 0.08 0.08 0.00 0.00 0.00 175.76 175.42 1cee s VAL 42 N 1.68 4.84 -0.33 0.00 1.01 -0.39 -4.92 120.40 122.29 1cee s VAL 42 Ca 0.04 -0.17 -0.10 0.00 0.00 0.00 0.00 61.98 61.76 1cee s VAL 42 Cb -0.13 -3.13 0.01 0.00 0.00 0.00 0.00 36.38 33.13 1cee s VAL 42 CO -0.08 0.51 0.16 -0.89 0.00 0.00 0.00 175.10 174.80 1cee s THR 43 N -1.05 4.48 0.17 3.92 2.01 -1.26 0.11 115.64 124.02 1cee s THR 43 Ca 0.18 -0.63 0.08 0.00 0.31 0.00 0.00 61.69 61.63 1cee s THR 43 Cb -0.12 -3.37 -0.04 0.00 0.01 0.00 0.00 72.50 68.98 1cee s THR 43 CO 0.07 -0.04 -0.17 -0.69 -0.69 0.00 0.00 174.62 173.10 1cee s VAL 44 N 1.57 1.77 -0.96 3.82 1.01 -0.86 -4.94 120.40 121.82 1cee s VAL 44 Ca 0.03 -1.95 -0.17 0.00 0.00 0.00 0.00 61.98 59.89 1cee s VAL 44 Cb -0.18 -1.85 0.15 0.00 0.00 0.00 0.00 36.38 34.50 1cee s VAL 44 CO 0.06 -0.37 1.13 -0.04 0.00 0.00 0.00 175.10 175.88 1cee s MET 45 N -2.92 3.68 -0.19 2.72 -1.94 -1.26 0.16 119.30 119.55 1cee s MET 45 Ca 0.16 -1.98 -0.08 0.00 -1.71 0.00 0.00 55.69 52.08 1cee s MET 45 Cb -0.05 -4.88 -0.04 0.00 2.01 0.00 0.00 34.83 31.87 1cee s MET 45 CO 0.06 -1.71 0.09 0.42 -0.01 0.00 0.00 175.02 173.87 1cee s ILE 46 N 2.18 4.98 -1.96 2.53 1.01 -0.75 -4.37 121.20 124.83 1cee s ILE 46 Ca 0.32 0.04 0.00 0.00 0.00 0.00 0.00 60.65 61.01 1cee s ILE 46 Cb -0.05 -3.26 0.00 0.00 0.01 0.00 0.00 42.46 39.16 1cee s ILE 46 CO -0.08 0.44 0.00 0.61 0.00 0.00 0.00 174.94 175.91 1cee n GLY 47 N 3.61 1.62 1.70 6.18 0.00 -1.26 -1.31 105.19 115.74 1cee n GLY 47 Ca -0.16 -0.11 0.00 0.00 0.00 0.00 0.00 46.02 45.75 1cee n GLY 47 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1cee n GLY 48 N -0.69 0.54 2.91 -0.02 0.00 -1.26 -5.04 105.19 101.62 1cee n GLY 48 Ca -0.19 -0.33 -0.21 0.00 0.00 0.00 0.00 46.02 45.29 1cee n GLY 48 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1cee s GLU 49 N -0.70 0.96 -0.76 1.61 2.02 -0.42 -5.07 118.70 116.33 1cee s GLU 49 Ca 0.00 -0.15 -0.24 0.00 0.02 0.00 0.00 54.97 54.60 1cee s GLU 49 Cb 0.00 -0.93 -0.15 0.00 0.10 0.00 0.00 34.13 33.15 1cee s GLU 49 CO 0.00 -0.07 2.40 -2.30 0.02 0.00 0.00 175.26 175.31 1cee n PRO 50 N 4.04 0.58 -2.08 0.39 -0.02 -1.26 -1.81 135.00 134.83 1cee n PRO 50 Ca -0.24 -0.57 -0.29 0.00 -2.02 0.00 0.00 63.50 60.39 1cee n PRO 50 Cb 0.51 -3.29 0.19 0.00 -0.02 0.00 0.00 33.50 30.89 1cee n PRO 50 CO 0.00 0.00 0.00 0.71 1.98 0.00 0.00 175.50 178.19 1cee s TYR 51 N 12.57 1.32 -0.29 6.00 1.51 0.43 -4.86 117.35 134.03 1cee s TYR 51 Ca 1.00 0.10 -0.04 0.00 -1.01 0.00 0.00 57.07 57.12 1cee s TYR 51 Cb -0.25 -3.98 0.10 0.00 -0.11 0.00 0.00 41.96 37.72 1cee s TYR 51 CO 0.18 -2.62 0.13 0.99 -1.11 0.00 0.00 175.55 173.13 1cee s THR 52 N -3.79 -0.05 0.20 -0.71 2.01 -1.01 -2.02 115.64 110.27 1cee s THR 52 Ca 0.75 -0.81 -0.30 0.00 0.31 0.00 0.00 61.69 61.64 1cee s THR 52 Cb -0.03 -1.00 -0.09 0.00 0.01 0.00 0.00 72.50 71.40 1cee s THR 52 CO 0.52 -0.74 1.27 -0.22 -0.69 0.00 0.00 174.62 174.76 1cee s LEU 53 N 2.05 4.43 -0.38 4.42 2.96 0.31 -2.98 118.68 129.49 1cee s LEU 53 Ca 0.09 2.37 -0.16 0.00 -0.22 0.00 0.00 54.13 56.21 1cee s LEU 53 Cb -0.16 -3.61 0.00 0.00 0.50 0.00 0.00 46.19 42.92 1cee s LEU 53 CO -0.35 -0.48 0.41 -0.83 -1.32 0.00 0.00 176.35 173.78 1cee s GLY 54 N 0.22 1.89 -0.12 7.98 0.00 0.37 -1.26 107.32 116.39 1cee s GLY 54 Ca 0.55 -1.31 -0.13 0.00 0.00 0.00 0.00 44.72 43.83 1cee s GLY 54 CO 0.39 1.10 0.30 1.08 0.00 0.00 0.00 173.10 175.97 1cee s LEU 55 N 2.12 4.31 -0.02 0.66 2.01 0.51 0.04 118.68 128.30 1cee s LEU 55 Ca 0.13 0.61 0.01 0.00 0.01 0.00 0.00 54.13 54.88 1cee s LEU 55 Cb -0.17 -2.39 0.02 0.00 0.01 0.00 0.00 46.19 43.66 1cee s LEU 55 CO 0.13 0.18 -0.01 -0.36 1.01 0.00 0.00 176.35 177.30 1cee s PHE 56 N -0.03 0.27 -0.16 0.29 0.40 -0.38 -2.21 117.98 116.16 1cee s PHE 56 Ca 0.18 -0.01 0.01 0.00 -0.60 0.00 0.00 56.93 56.51 1cee s PHE 56 Cb -0.14 -0.30 0.01 0.00 0.51 0.00 0.00 43.02 43.10 1cee s PHE 56 CO 0.06 -0.08 -0.18 0.34 0.70 0.00 0.00 175.22 176.06 1cee s ASP 57 N 0.59 3.41 0.60 1.36 -1.08 -1.15 -0.43 116.67 119.97 1cee s ASP 57 Ca -0.06 -0.55 0.03 0.00 -0.52 0.00 0.00 52.55 51.46 1cee s ASP 57 Cb -0.09 -1.52 0.08 0.00 -1.46 0.00 0.00 42.92 39.93 1cee s ASP 57 CO -0.01 0.06 0.84 0.42 0.52 0.00 0.00 175.17 177.00 1cee s THR 58 N 0.94 2.39 -0.14 1.71 -4.23 -1.24 -3.78 115.64 111.29 1cee s THR 58 Ca -0.03 -0.75 0.00 0.00 -1.18 0.00 0.00 61.69 59.72 1cee s THR 58 Cb -0.15 -2.64 -0.01 0.00 1.34 0.00 0.00 72.50 71.04 1cee s THR 58 CO -0.03 0.00 -0.15 0.00 -0.54 0.00 0.00 174.62 173.90 1cee s ALA 59 N -2.83 2.54 0.63 3.99 0.00 -1.23 -4.55 121.76 120.30 1cee s ALA 59 Ca 0.61 -0.96 0.00 0.00 0.00 0.00 0.00 51.96 51.62 1cee s ALA 59 Cb -0.07 -1.20 0.00 0.00 0.00 0.00 0.00 23.12 21.85 1cee s ALA 59 CO 0.40 0.14 0.00 0.41 0.00 0.00 0.00 175.76 176.71 1cee n GLY 60 N 3.75 -2.20 4.59 0.00 0.00 -1.26 -4.84 105.19 105.23 1cee n GLY 60 Ca -0.18 -1.06 0.04 0.00 0.00 0.00 0.00 46.02 44.81 1cee n GLY 60 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1cee n GLN 61 N 0.00 -0.65 -0.01 1.61 1.13 -1.26 -4.44 117.38 113.76 1cee n GLN 61 Ca 0.00 0.43 0.02 0.00 -1.94 0.00 0.00 57.00 55.51 1cee n GLN 61 Cb 0.00 -0.79 -0.07 0.00 0.11 0.00 0.00 30.24 29.50 1cee n GLN 61 CO 0.00 0.00 0.00 -1.91 -1.44 0.00 0.00 177.06 173.71 1cee n GLU 62 N -1.71 0.82 0.03 -1.09 2.13 -1.26 -4.57 120.64 115.00 1cee n GLU 62 Ca 0.00 -0.06 0.19 0.00 0.66 0.00 0.00 57.16 57.95 1cee n GLU 62 Cb 0.15 -1.21 0.68 0.00 0.27 0.00 0.00 31.44 31.33 1cee n GLU 62 CO 0.00 0.00 0.00 -0.44 -0.41 0.00 0.00 177.13 176.28 1cee h ASP 63 N 0.00 0.00 -0.43 4.31 5.19 -1.97 0.24 116.42 123.75 1cee h ASP 63 Ca -0.05 0.00 -0.07 0.00 -0.62 0.00 0.00 57.03 56.29 1cee h ASP 63 Cb 0.65 -0.00 -0.04 0.00 0.18 0.00 0.00 39.33 40.12 1cee h ASP 63 CO 0.00 0.00 0.08 -1.22 -3.12 0.00 0.00 179.24 174.99 1cee n TYR 64 N -4.40 1.51 0.19 4.55 4.02 -1.26 -4.28 117.16 117.49 1cee n TYR 64 Ca 0.08 -0.66 0.04 0.00 -0.01 0.00 0.00 57.90 57.35 1cee n TYR 64 Cb 0.54 -0.44 0.38 0.00 -0.02 0.00 0.00 39.34 39.80 1cee n TYR 64 CO 0.00 0.00 0.00 0.38 -1.01 0.00 0.00 176.86 176.23 1cee h ASP 65 N 2.26 0.00 0.26 7.72 2.03 -0.81 -1.02 116.42 126.87 1cee h ASP 65 Ca 0.08 0.00 -0.01 0.00 -0.73 0.00 0.00 57.03 56.37 1cee h ASP 65 Cb 1.63 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 40.13 1cee h ASP 65 CO 0.41 0.36 -0.13 0.03 -1.03 0.00 0.00 179.24 178.88 1cee h ARG 66 N 0.00 -0.34 -0.68 4.15 3.08 -1.80 -3.21 114.38 115.58 1cee h ARG 66 Ca -0.00 0.02 -0.08 0.00 0.07 0.00 0.00 59.98 59.99 1cee h ARG 66 Cb 0.67 0.08 -0.05 0.00 0.08 0.00 0.00 29.97 30.74 1cee h ARG 66 CO 0.05 -0.04 0.11 1.47 -1.07 0.00 0.00 179.97 180.48 1cee n LEU 67 N -5.12 5.63 -0.05 3.04 -0.00 -1.20 -4.48 117.00 114.82 1cee n LEU 67 Ca -0.09 -2.89 -0.11 0.00 -0.00 0.00 0.00 56.01 52.92 1cee n LEU 67 Cb 0.24 -0.70 -0.09 0.00 -0.00 0.00 0.00 43.42 42.87 1cee n LEU 67 CO 0.32 0.67 0.31 -0.09 -0.00 0.00 0.00 177.39 178.60 1cee h ARG 68 N 3.25 -0.02 -0.02 1.47 2.43 -1.18 -3.32 114.38 116.99 1cee h ARG 68 Ca 0.10 0.00 0.01 0.00 -0.81 0.00 0.00 59.98 59.28 1cee h ARG 68 Cb 2.04 0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 31.60 1cee h ARG 68 CO 0.56 0.69 0.03 -1.35 -1.51 0.00 0.00 179.97 178.39 1cee h PRO 69 N -0.97 0.00 -0.59 0.20 0.11 -1.79 -2.30 132.00 126.67 1cee h PRO 69 Ca -0.00 0.00 0.17 0.00 0.11 0.00 0.00 66.00 66.28 1cee h PRO 69 Cb 0.71 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 31.80 1cee h PRO 69 CO 0.00 0.00 0.60 -0.07 -0.21 0.00 0.00 178.00 178.32 1cee h LEU 70 N 0.00 0.00 -1.20 2.35 3.38 -1.85 0.50 115.31 118.50 1cee h LEU 70 Ca 0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.98 1cee h LEU 70 Cb 0.08 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.83 1cee h LEU 70 CO -0.00 0.00 0.00 -1.54 0.09 0.00 0.00 178.44 176.99 1cee n SER 71 N -3.71 1.81 -0.96 -0.43 3.41 -0.87 -4.06 113.62 108.81 1cee n SER 71 Ca 0.12 -1.69 0.09 0.00 -0.26 0.00 0.00 58.87 57.12 1cee n SER 71 Cb 0.82 -0.09 0.21 0.00 -0.26 0.00 0.00 64.21 64.89 1cee n SER 71 CO 0.00 0.00 0.00 -1.22 -0.16 0.00 0.00 175.04 173.66 1cee n TYR 72 N 0.41 0.58 -1.42 7.33 4.01 0.18 -4.94 117.16 123.31 1cee n TYR 72 Ca 0.17 -0.39 -0.49 0.00 -0.16 0.00 0.00 57.90 57.04 1cee n TYR 72 Cb 0.37 -0.01 -0.10 0.00 -0.31 0.00 0.00 39.34 39.29 1cee n TYR 72 CO 0.00 0.00 0.00 -2.30 -0.46 0.00 0.00 176.86 174.10 1cee n PRO 73 N 1.11 0.53 -3.68 -0.72 -0.02 -1.26 -2.20 135.00 128.76 1cee n PRO 73 Ca 0.17 0.11 -0.22 0.00 -2.02 0.00 0.00 63.50 61.53 1cee n PRO 73 Cb 0.51 -2.11 0.00 0.00 -0.02 0.00 0.00 33.50 31.89 1cee n PRO 73 CO 0.00 0.00 0.00 1.04 1.98 0.00 0.00 175.50 178.52 1cee n GLN 74 N 8.21 -1.39 -2.85 -0.52 6.02 -1.26 -4.91 117.38 120.68 1cee n GLN 74 Ca 0.50 0.82 -0.35 0.00 -0.01 0.00 0.00 57.00 57.97 1cee n GLN 74 Cb 0.15 -3.02 -0.07 0.00 1.02 0.00 0.00 30.24 28.33 1cee n GLN 74 CO 0.00 0.00 0.00 0.99 -1.01 0.00 0.00 177.06 177.04 1cee s THR 75 N -3.06 4.34 0.00 5.09 2.01 -0.94 -4.87 115.64 118.22 1cee s THR 75 Ca 0.06 1.59 0.00 0.00 0.31 0.00 0.00 61.69 63.65 1cee s THR 75 Cb -0.03 -3.81 0.00 0.00 0.01 0.00 0.00 72.50 68.67 1cee s THR 75 CO 0.87 -0.05 0.00 -0.67 -0.69 0.00 0.00 174.62 174.08 1cee n ASP 76 N 0.05 0.00 -4.77 3.53 -0.08 -0.90 -4.98 116.55 109.41 1cee n ASP 76 Ca 0.04 0.20 -0.26 0.00 -1.51 0.00 0.00 54.79 53.25 1cee n ASP 76 Cb 0.52 -0.48 -0.06 0.00 2.34 0.00 0.00 41.12 43.44 1cee n ASP 76 CO 0.00 0.00 0.00 0.54 0.12 0.00 0.00 177.20 177.86 1cee s VAL 77 N -0.96 1.98 -0.10 5.18 0.11 -1.24 -3.30 120.40 122.08 1cee s VAL 77 Ca 0.00 -1.72 -0.02 0.00 -2.93 0.00 0.00 61.98 57.30 1cee s VAL 77 Cb 0.00 -2.71 0.04 0.00 -1.53 0.00 0.00 36.38 32.18 1cee s VAL 77 CO 0.00 0.00 0.04 -0.36 -3.33 0.00 0.00 175.10 171.45 1cee s PHE 78 N -2.68 0.49 -0.64 1.54 0.08 -1.09 -4.03 117.98 111.66 1cee s PHE 78 Ca 0.34 -0.19 -0.23 0.00 0.12 0.00 0.00 56.93 56.97 1cee s PHE 78 Cb 0.03 -0.74 0.07 0.00 -0.57 0.00 0.00 43.02 41.81 1cee s PHE 78 CO 0.19 -0.37 0.95 -0.51 -0.10 0.00 0.00 175.22 175.38 1cee s LEU 79 N 2.03 4.37 -1.01 -0.37 1.02 -0.90 -1.07 118.68 122.76 1cee s LEU 79 Ca 0.04 -0.89 -0.15 0.00 0.02 0.00 0.00 54.13 53.14 1cee s LEU 79 Cb -0.14 -2.48 0.19 0.00 0.02 0.00 0.00 46.19 43.78 1cee s LEU 79 CO -0.06 -1.39 1.12 -0.69 0.02 0.00 0.00 176.35 175.35 1cee s VAL 80 N 3.99 5.22 -0.43 -1.59 1.01 -0.52 0.12 120.40 128.20 1cee s VAL 80 Ca 0.23 -2.36 -0.25 0.00 0.00 0.00 0.00 61.98 59.61 1cee s VAL 80 Cb -0.16 -4.71 0.02 0.00 0.00 0.00 0.00 36.38 31.53 1cee s VAL 80 CO 0.12 -1.37 0.88 0.00 0.00 0.00 0.00 175.10 174.73 1cee s PHE 82 N 3.55 2.38 -0.48 0.00 -0.71 -0.76 -4.77 117.98 117.19 1cee s PHE 82 Ca 0.35 -0.61 -0.20 0.00 -1.04 0.00 0.00 56.93 55.43 1cee s PHE 82 Cb -0.11 -2.05 0.04 0.00 -1.21 0.00 0.00 43.02 39.69 1cee s PHE 82 CO 0.23 -0.15 0.64 0.45 -1.34 0.00 0.00 175.22 175.05 1cee s SER 83 N -4.12 6.27 0.49 1.98 0.15 -1.26 -1.64 113.70 115.57 1cee s SER 83 Ca 0.43 -0.63 0.14 0.00 0.70 0.00 0.00 55.95 56.59 1cee s SER 83 Cb -0.01 -2.31 1.16 0.00 -1.71 0.00 0.00 66.02 63.15 1cee s SER 83 CO 0.25 -0.85 2.12 0.58 1.20 0.00 0.00 173.24 176.54 1cee h VAL 84 N 5.87 1.03 -0.80 4.45 2.07 -1.78 -1.69 116.25 125.40 1cee h VAL 84 Ca -0.26 -0.08 -0.50 0.00 0.82 0.00 0.00 66.70 66.68 1cee h VAL 84 Cb 1.09 0.90 -0.24 0.00 -1.52 0.00 0.00 31.29 31.53 1cee h VAL 84 CO 0.93 0.03 0.64 1.33 0.02 0.00 0.00 177.57 180.53 1cee n VAL 85 N -4.51 3.11 -3.32 2.57 0.24 -1.26 0.15 118.33 115.31 1cee n VAL 85 Ca -0.02 -2.11 -0.11 0.00 -2.04 0.00 0.00 64.34 60.06 1cee n VAL 85 Cb 0.09 -0.98 -0.06 0.00 -1.47 0.00 0.00 33.84 31.42 1cee n VAL 85 CO 0.00 0.00 0.00 -0.55 -2.14 0.00 0.00 176.83 174.14 1cee s SER 86 N -0.99 0.48 0.56 -1.34 0.15 -0.64 -4.79 113.70 107.13 1cee s SER 86 Ca 0.50 -1.02 0.32 0.00 0.70 0.00 0.00 55.95 56.45 1cee s SER 86 Cb 0.40 0.97 1.46 0.00 -1.71 0.00 0.00 66.02 67.14 1cee s SER 86 CO 0.03 -0.28 1.82 -0.65 1.20 0.00 0.00 173.24 175.35 1cee h PRO 87 N 7.47 0.00 0.55 5.44 0.11 -1.81 -1.46 132.00 142.30 1cee h PRO 87 Ca -0.00 0.00 -0.03 0.00 0.11 0.00 0.00 66.00 66.08 1cee h PRO 87 Cb 1.10 0.00 0.01 0.00 0.11 0.00 0.00 31.00 32.21 1cee h PRO 87 CO 0.21 0.00 -0.26 0.77 -0.21 0.00 0.00 178.00 178.51 1cee h SER 88 N 0.00 -0.63 -0.64 -2.05 0.02 -1.95 -2.59 113.55 105.72 1cee h SER 88 Ca 0.40 -0.02 0.13 0.00 -0.84 0.00 0.00 61.79 61.47 1cee h SER 88 Cb 1.81 0.16 -0.12 0.00 0.14 0.00 0.00 62.40 64.40 1cee h SER 88 CO -0.00 -0.38 -0.08 0.28 -1.14 0.00 0.00 176.83 175.51 1cee h SER 89 N -0.84 -0.45 -0.93 3.07 0.02 -1.55 0.16 113.55 113.03 1cee h SER 89 Ca -0.08 0.18 0.16 0.00 -0.84 0.00 0.00 61.79 61.21 1cee h SER 89 Cb 0.61 0.34 -0.10 0.00 0.14 0.00 0.00 62.40 63.39 1cee h SER 89 CO 0.12 -0.17 0.53 0.15 -1.14 0.00 0.00 176.83 176.32 1cee h PHE 90 N 0.05 0.93 -0.27 3.45 3.04 -1.48 1.81 116.94 124.47 1cee h PHE 90 Ca 0.32 0.03 -0.01 0.00 3.98 0.00 0.00 57.97 62.30 1cee h PHE 90 Cb 0.52 -0.27 -0.01 0.00 2.56 0.00 0.00 35.95 38.75 1cee h PHE 90 CO -0.45 0.24 0.12 0.93 -2.02 0.00 0.00 178.31 177.13 1cee h GLU 91 N 0.72 0.40 0.01 1.11 4.39 -0.30 -2.87 114.58 118.05 1cee h GLU 91 Ca 0.51 -0.06 -0.20 0.00 0.34 0.00 0.00 59.36 59.95 1cee h GLU 91 Cb 0.73 -0.07 -0.01 0.00 -0.10 0.00 0.00 28.75 29.30 1cee h GLU 91 CO -0.36 0.41 -0.89 -0.91 -1.16 0.00 0.00 179.01 176.09 1cee h ASN 92 N 0.30 0.28 -0.89 1.42 2.35 -0.72 -2.73 115.58 115.58 1cee h ASN 92 Ca 0.09 -0.23 0.24 0.00 -0.55 0.00 0.00 56.30 55.86 1cee h ASN 92 Cb 0.14 -0.09 -0.15 0.00 0.05 0.00 0.00 38.32 38.28 1cee h ASN 92 CO -0.01 1.04 0.20 0.58 -1.65 0.00 0.00 177.43 177.59 1cee h VAL 93 N 0.11 0.26 0.00 2.81 2.07 0.30 1.66 116.25 123.46 1cee h VAL 93 Ca -0.05 -0.06 0.00 0.00 0.82 0.00 0.00 66.70 67.42 1cee h VAL 93 Cb 1.53 0.08 0.00 0.00 -1.52 0.00 0.00 31.29 31.38 1cee h VAL 93 CO 0.14 0.03 -1.18 2.29 0.02 0.00 0.00 177.57 178.87 1cee n LYS 94 N -5.27 0.49 -2.60 1.57 2.85 -1.15 -3.16 118.16 110.87 1cee n LYS 94 Ca 0.22 0.02 -0.15 0.00 -1.05 0.00 0.00 58.31 57.34 1cee n LYS 94 Cb 0.70 -1.68 0.02 0.00 -0.65 0.00 0.00 35.03 33.43 1cee n LYS 94 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 177.40 177.74 1cee n GLU 95 N -2.31 1.92 0.00 -1.58 1.02 0.89 -4.68 120.64 115.89 1cee n GLU 95 Ca 0.00 -3.68 0.00 0.00 -0.02 0.00 0.00 57.16 53.46 1cee n GLU 95 Cb 0.51 -1.59 0.00 0.00 -0.02 0.00 0.00 31.44 30.34 1cee n GLU 95 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 1cee n LYS 96 N -0.20 0.00 0.05 3.49 4.76 0.53 -4.67 118.16 122.12 1cee n LYS 96 Ca 0.19 0.00 -0.13 0.00 -2.87 0.00 0.00 58.31 55.50 1cee n LYS 96 Cb 0.76 0.00 -0.09 0.00 -1.84 0.00 0.00 35.03 33.87 1cee n LYS 96 CO 0.00 0.00 0.00 -1.49 -1.37 0.00 0.00 177.40 174.54 1cee h TRP 97 N 0.00 -0.10 0.07 2.13 4.06 -1.04 -3.13 115.95 117.95 1cee h TRP 97 Ca 0.00 -0.00 -0.19 0.00 2.06 0.00 0.00 58.89 60.76 1cee h TRP 97 Cb 0.00 0.03 -0.00 0.00 -1.00 0.00 0.00 29.16 28.19 1cee h TRP 97 CO 0.00 0.18 -0.95 0.28 -3.56 0.00 0.00 178.44 174.39 1cee h VAL 98 N -0.38 1.28 -0.92 1.49 2.07 -1.77 -3.34 116.25 114.67 1cee h VAL 98 Ca -0.01 -2.38 0.27 0.00 0.82 0.00 0.00 66.70 65.40 1cee h VAL 98 Cb 0.33 2.88 -0.04 0.00 -1.52 0.00 0.00 31.29 32.94 1cee h VAL 98 CO 0.02 0.62 0.85 -0.65 0.02 0.00 0.00 177.57 178.42 1cee h PRO 99 N -0.59 0.00 -0.16 1.57 0.11 -1.84 0.35 132.00 131.43 1cee h PRO 99 Ca -0.21 0.00 -0.14 0.00 0.11 0.00 0.00 66.00 65.76 1cee h PRO 99 Cb 1.49 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.59 1cee h PRO 99 CO 0.02 0.00 -0.50 1.05 -0.21 0.00 0.00 178.00 178.35 1cee h GLU 100 N 0.00 0.44 0.00 1.05 4.11 -1.67 -3.12 114.58 115.41 1cee h GLU 100 Ca 0.44 -0.26 -0.29 0.00 0.07 0.00 0.00 59.36 59.32 1cee h GLU 100 Cb 2.13 0.02 -0.05 0.00 0.50 0.00 0.00 28.75 31.36 1cee h GLU 100 CO -0.00 0.85 -1.69 -0.84 0.07 0.00 0.00 179.01 177.39 1cee h ILE 101 N 0.35 0.87 -0.32 -1.06 3.07 -0.58 -3.33 117.51 116.52 1cee h ILE 101 Ca 0.01 -2.72 0.09 0.00 1.55 0.00 0.00 64.86 63.80 1cee h ILE 101 Cb 1.01 2.44 -0.01 0.00 -0.27 0.00 0.00 36.82 39.98 1cee h ILE 101 CO 0.09 0.51 0.26 0.71 -1.05 0.00 0.00 178.15 178.68 1cee h THR 102 N 0.00 0.66 -0.07 0.16 1.35 -1.11 1.19 112.91 115.10 1cee h THR 102 Ca -0.28 0.00 -0.20 0.00 -0.55 0.00 0.00 66.41 65.38 1cee h THR 102 Cb 2.01 0.81 -0.00 0.00 -1.73 0.00 0.00 68.15 69.23 1cee h THR 102 CO 0.08 0.00 -0.78 0.45 -0.25 0.00 0.00 175.52 175.02 1cee h HIS 103 N 0.00 0.63 0.15 4.73 3.86 -1.65 -2.44 115.15 120.43 1cee h HIS 103 Ca 0.15 -0.29 -0.33 0.00 -1.16 0.00 0.00 60.37 58.74 1cee h HIS 103 Cb 0.68 -0.09 0.00 0.00 1.06 0.00 0.00 27.41 29.06 1cee h HIS 103 CO 0.00 1.07 -1.66 0.45 0.86 0.00 0.00 177.93 178.65 1cee h HIS 104 N 0.30 0.58 -1.24 2.45 -0.00 -0.95 -3.45 115.15 112.86 1cee h HIS 104 Ca -0.04 -0.43 -0.20 0.00 -0.00 0.00 0.00 60.37 59.71 1cee h HIS 104 Cb 1.38 -0.02 -0.21 0.00 -0.00 0.00 0.00 27.41 28.56 1cee h HIS 104 CO 0.05 1.65 -0.55 0.00 -0.00 0.00 0.00 177.93 179.08 1cee n PRO 106 N 3.43 1.12 -0.10 0.00 -0.04 -0.92 -3.47 135.00 135.00 1cee n PRO 106 Ca 0.17 -0.18 -0.12 0.00 -0.04 0.00 0.00 63.50 63.34 1cee n PRO 106 Cb 0.54 -1.29 -0.14 0.00 -0.04 0.00 0.00 33.50 32.57 1cee n PRO 106 CO 0.00 0.00 0.00 0.36 -0.04 0.00 0.00 175.50 175.82 1cee n LYS 107 N -0.59 0.76 -1.88 0.54 -0.00 -1.26 -4.99 118.16 110.74 1cee n LYS 107 Ca 0.13 0.03 -0.37 0.00 -0.00 0.00 0.00 58.31 58.11 1cee n LYS 107 Cb 0.10 -1.50 0.05 0.00 -0.00 0.00 0.00 35.03 33.68 1cee n LYS 107 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.40 178.35 1cee s THR 108 N -2.48 2.32 0.70 0.58 -4.23 -1.23 -4.96 115.64 106.34 1cee s THR 108 Ca -0.16 0.21 -0.16 0.00 -1.18 0.00 0.00 61.69 60.39 1cee s THR 108 Cb 0.07 -3.09 -0.01 0.00 1.34 0.00 0.00 72.50 70.80 1cee s THR 108 CO 0.74 -0.03 0.85 -0.81 -0.54 0.00 0.00 174.62 174.82 1cee n PRO 109 N -1.57 0.50 -3.60 3.99 -0.04 -1.21 -4.93 135.00 128.15 1cee n PRO 109 Ca 0.14 0.22 -0.28 0.00 -0.04 0.00 0.00 63.50 63.54 1cee n PRO 109 Cb 0.48 -2.10 -0.16 0.00 -0.04 0.00 0.00 33.50 31.68 1cee n PRO 109 CO 0.00 0.00 0.00 -0.06 -0.04 0.00 0.00 175.50 175.40 1cee s PHE 110 N -1.80 0.46 -0.08 0.54 0.08 -1.26 -2.67 117.98 113.25 1cee s PHE 110 Ca 0.72 -0.75 -0.30 0.00 0.12 0.00 0.00 56.93 56.72 1cee s PHE 110 Cb -0.36 -0.91 -0.02 0.00 -0.57 0.00 0.00 43.02 41.17 1cee s PHE 110 CO 0.52 -0.70 1.05 -1.17 -0.10 0.00 0.00 175.22 174.82 1cee s LEU 111 N 2.05 4.27 -0.80 -0.37 2.96 -0.23 -0.74 118.68 125.82 1cee s LEU 111 Ca 0.06 1.62 -0.17 0.00 -0.22 0.00 0.00 54.13 55.42 1cee s LEU 111 Cb -0.16 -3.56 0.16 0.00 0.50 0.00 0.00 46.19 43.13 1cee s LEU 111 CO -0.23 -0.45 0.86 -0.22 -1.32 0.00 0.00 176.35 174.99 1cee s LEU 112 N 1.89 5.87 0.12 -0.68 2.96 -1.09 -1.44 118.68 126.33 1cee s LEU 112 Ca 0.51 -2.17 -0.10 0.00 -0.22 0.00 0.00 54.13 52.14 1cee s LEU 112 Cb -0.20 -2.29 -0.06 0.00 0.50 0.00 0.00 46.19 44.13 1cee s LEU 112 CO 0.20 -0.87 0.46 -0.69 -1.32 0.00 0.00 176.35 174.13 1cee s VAL 113 N 1.61 5.02 -0.19 1.68 1.01 -0.97 -0.86 120.40 127.70 1cee s VAL 113 Ca 0.21 0.50 -0.00 0.00 0.00 0.00 0.00 61.98 62.69 1cee s VAL 113 Cb -0.12 -3.66 0.05 0.00 0.00 0.00 0.00 36.38 32.65 1cee s VAL 113 CO -0.05 0.20 -0.04 -0.83 0.00 0.00 0.00 175.10 174.37 1cee s GLY 114 N -1.91 1.04 0.53 4.51 0.00 -1.16 -1.82 107.32 108.51 1cee s GLY 114 Ca 0.37 -0.99 0.07 0.00 0.00 0.00 0.00 44.72 44.18 1cee s GLY 114 CO 0.19 0.98 0.56 -1.59 0.00 0.00 0.00 173.10 173.25 1cee s THR 115 N 1.58 2.03 -0.08 0.90 2.01 -0.65 -3.11 115.64 118.31 1cee s THR 115 Ca -0.02 -1.26 -0.00 0.00 0.31 0.00 0.00 61.69 60.72 1cee s THR 115 Cb -0.17 -2.29 0.00 0.00 0.01 0.00 0.00 72.50 70.05 1cee s THR 115 CO -0.07 0.00 0.07 1.67 -0.69 0.00 0.00 174.62 175.59 1cee n GLN 116 N -1.93 -0.45 0.11 4.92 7.27 -1.26 -2.55 117.38 123.50 1cee n GLN 116 Ca 0.06 0.05 -0.02 0.00 0.07 0.00 0.00 57.00 57.17 1cee n GLN 116 Cb 0.63 -2.71 0.01 0.00 2.41 0.00 0.00 30.24 30.58 1cee n GLN 116 CO 0.00 0.00 0.00 0.82 0.07 0.00 0.00 177.06 177.95 1cee h ILE 117 N -0.14 1.28 -1.13 1.69 2.04 -1.86 -3.23 117.51 116.15 1cee h ILE 117 Ca -0.04 -2.65 0.32 0.00 1.00 0.00 0.00 64.86 63.50 1cee h ILE 117 Cb 1.02 2.53 -0.06 0.00 -0.74 0.00 0.00 36.82 39.57 1cee h ILE 117 CO 0.03 0.70 0.80 -2.24 0.00 0.00 0.00 178.15 177.44 1cee h ASP 118 N 0.00 0.09 0.26 1.72 2.03 -1.96 0.40 116.42 118.96 1cee h ASP 118 Ca -0.01 0.02 -0.34 0.00 -0.73 0.00 0.00 57.03 55.97 1cee h ASP 118 Cb 1.47 0.00 -0.02 0.00 -0.83 0.00 0.00 39.33 39.95 1cee h ASP 118 CO 0.09 0.01 -1.85 -0.07 -1.03 0.00 0.00 179.24 176.40 1cee h LEU 119 N 0.07 0.34 -2.39 0.15 -0.00 -1.94 -3.30 115.31 108.26 1cee h LEU 119 Ca 0.56 -0.69 -0.00 0.00 -0.00 0.00 0.00 57.88 57.75 1cee h LEU 119 Cb 2.08 -0.11 -0.00 0.00 -0.00 0.00 0.00 40.66 42.62 1cee h LEU 119 CO -0.07 1.61 -0.00 -0.09 -0.00 0.00 0.00 178.44 179.89 1cee h ARG 120 N 0.06 0.00 -0.65 1.13 2.43 -0.38 0.90 114.38 117.88 1cee h ARG 120 Ca -0.36 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 58.81 1cee h ARG 120 Cb 2.04 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 31.59 1cee h ARG 120 CO 0.11 0.00 0.00 -3.47 -1.51 0.00 0.00 179.97 175.10 1cee n ASP 121 N -3.97 4.61 -4.11 -3.80 -0.08 0.44 -4.77 116.55 104.87 1cee n ASP 121 Ca -0.03 -2.38 -0.37 0.00 -1.51 0.00 0.00 54.79 50.50 1cee n ASP 121 Cb 0.08 -0.56 -0.09 0.00 2.34 0.00 0.00 41.12 42.90 1cee n ASP 121 CO 0.00 0.00 0.00 -1.81 0.12 0.00 0.00 177.20 175.51 1cee s ASP 122 N -0.95 5.40 0.24 1.67 1.01 0.31 -4.95 116.67 119.41 1cee s ASP 122 Ca 0.50 -2.97 -0.06 0.00 0.71 0.00 0.00 52.55 50.74 1cee s ASP 122 Cb 0.32 -1.88 0.43 0.00 1.01 0.00 0.00 42.92 42.79 1cee s ASP 122 CO 0.26 -0.35 1.71 -0.65 0.21 0.00 0.00 175.17 176.34 1cee h PRO 123 N 6.92 0.32 -0.91 8.23 0.11 -1.86 0.97 132.00 145.79 1cee h PRO 123 Ca 0.02 -0.02 0.22 0.00 0.11 0.00 0.00 66.00 66.33 1cee h PRO 123 Cb 0.94 -0.07 -0.06 0.00 0.11 0.00 0.00 31.00 31.91 1cee h PRO 123 CO 0.73 0.21 0.61 0.77 -0.21 0.00 0.00 178.00 180.12 1cee h SER 124 N 0.33 0.31 0.05 -2.05 0.02 -1.94 0.49 113.55 110.76 1cee h SER 124 Ca 0.40 0.04 -0.34 0.00 -0.84 0.00 0.00 61.79 61.04 1cee h SER 124 Cb 0.63 -0.02 -0.04 0.00 0.14 0.00 0.00 62.40 63.11 1cee h SER 124 CO -0.45 0.11 -1.94 0.35 -1.14 0.00 0.00 176.83 173.77 1cee n THR 125 N -4.46 1.62 -0.14 -2.27 -2.24 0.48 -3.02 114.28 104.24 1cee n THR 125 Ca 0.20 -0.40 -0.03 0.00 -2.27 0.00 0.00 64.05 61.54 1cee n THR 125 Cb 0.78 -1.80 0.05 0.00 -2.10 0.00 0.00 70.33 67.25 1cee n THR 125 CO 0.00 0.00 0.00 0.40 -0.57 0.00 0.00 175.07 174.90 1cee h ILE 126 N -0.44 0.72 0.00 2.28 2.04 0.14 -0.29 117.51 121.95 1cee h ILE 126 Ca -0.47 -0.06 -0.10 0.00 1.00 0.00 0.00 64.86 65.23 1cee h ILE 126 Cb 1.72 0.52 -0.01 0.00 -0.74 0.00 0.00 36.82 38.31 1cee h ILE 126 CO -0.12 0.03 -0.45 -0.33 0.00 0.00 0.00 178.15 177.28 1cee h GLU 127 N 0.18 0.00 -0.31 2.37 5.08 -0.22 0.26 114.58 121.93 1cee h GLU 127 Ca 0.22 0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 58.56 1cee h GLU 127 Cb 0.30 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.54 1cee h GLU 127 CO -0.32 0.45 0.09 -0.22 -1.00 0.00 0.00 179.01 178.02 1cee h LYS 128 N 0.00 0.48 0.00 2.33 3.64 -1.00 -3.26 116.57 118.76 1cee h LYS 128 Ca -0.00 -0.11 -0.04 0.00 -1.27 0.00 0.00 60.65 59.23 1cee h LYS 128 Cb 1.03 -0.07 -0.01 0.00 -0.41 0.00 0.00 32.23 32.77 1cee h LYS 128 CO 0.06 0.53 -1.87 1.47 -2.27 0.00 0.00 179.45 177.37 1cee n LEU 129 N -4.68 0.16 -0.27 5.20 -0.00 -0.60 -4.29 117.00 112.52 1cee n LEU 129 Ca -0.02 0.06 0.33 0.00 -0.00 0.00 0.00 56.01 56.38 1cee n LEU 129 Cb 0.17 0.04 0.64 0.00 -0.00 0.00 0.00 43.42 44.27 1cee n LEU 129 CO 0.37 0.03 1.30 0.00 -0.00 0.00 0.00 177.39 179.09 1cee h ALA 130 N 1.88 3.00 0.00 1.47 0.00 -0.48 0.30 119.26 125.42 1cee h ALA 130 Ca -0.06 -0.04 -0.06 0.00 0.00 0.00 0.00 54.91 54.75 1cee h ALA 130 Cb 1.15 0.08 -0.12 0.00 0.00 0.00 0.00 17.79 18.90 1cee h ALA 130 CO 0.00 -1.61 -0.58 1.63 0.00 0.00 0.00 179.25 178.70 1cee n LYS 131 N -3.64 0.79 -0.01 0.00 4.76 -1.26 -4.76 118.16 114.04 1cee n LYS 131 Ca 0.24 -2.41 -0.01 0.00 -2.87 0.00 0.00 58.31 53.27 1cee n LYS 131 Cb 1.39 -0.92 -0.01 0.00 -1.84 0.00 0.00 35.03 33.65 1cee n LYS 131 CO 0.00 0.00 0.00 0.09 -1.37 0.00 0.00 177.40 176.12 1cee n ASN 132 N -0.49 4.45 0.00 4.39 3.02 0.10 -5.02 115.26 121.71 1cee n ASN 132 Ca 0.11 -0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.66 1cee n ASN 132 Cb 0.83 0.44 0.00 0.00 -0.61 0.00 0.00 39.78 40.43 1cee n ASN 132 CO 0.00 0.00 0.00 2.29 -2.62 0.00 0.00 177.26 176.93 1cee n LYS 133 N -2.15 0.00 -3.35 3.52 2.85 -1.06 -5.10 118.16 112.87 1cee n LYS 133 Ca -0.03 0.00 -0.20 0.00 -1.05 0.00 0.00 58.31 57.03 1cee n LYS 133 Cb 0.55 0.00 -0.01 0.00 -0.65 0.00 0.00 35.03 34.93 1cee n LYS 133 CO 0.00 0.00 0.00 -0.65 -0.05 0.00 0.00 177.40 176.70 1cee s GLN 134 N 0.00 2.59 -0.30 -1.58 -0.21 -1.11 -4.96 119.66 114.09 1cee s GLN 134 Ca 0.00 -1.48 -0.16 0.00 0.02 0.00 0.00 55.36 53.73 1cee s GLN 134 Cb 0.00 -2.51 0.17 0.00 1.00 0.00 0.00 33.01 31.67 1cee s GLN 134 CO 0.00 -0.32 1.09 -1.59 -2.12 0.00 0.00 175.29 172.36 1cee s LYS 135 N -4.27 0.23 0.32 2.91 -2.85 -1.26 -3.34 119.74 111.48 1cee s LYS 135 Ca 0.51 0.44 -0.29 0.00 -1.00 0.00 0.00 55.97 55.63 1cee s LYS 135 Cb -0.06 0.12 -0.11 0.00 -2.06 0.00 0.00 37.83 35.73 1cee s LYS 135 CO 0.30 -0.06 1.42 -1.25 0.10 0.00 0.00 175.35 175.86 1cee s PRO 136 N 1.52 4.24 -0.02 1.78 0.04 -1.26 -4.34 135.00 136.96 1cee s PRO 136 Ca -0.07 2.37 -0.26 0.00 0.04 0.00 0.00 61.00 63.08 1cee s PRO 136 Cb -0.03 -3.05 -0.04 0.00 0.04 0.00 0.00 34.50 31.42 1cee s PRO 136 CO -0.14 -0.38 0.81 0.42 0.04 0.00 0.00 177.00 177.75 1cee s ILE 137 N -0.76 4.93 0.50 0.56 -1.09 0.12 -4.98 121.20 120.47 1cee s ILE 137 Ca 0.54 1.69 -0.04 0.00 -2.23 0.00 0.00 60.65 60.61 1cee s ILE 137 Cb -0.43 -4.15 -0.02 0.00 -1.58 0.00 0.00 42.46 36.28 1cee s ILE 137 CO 0.53 0.24 0.79 0.42 -1.23 0.00 0.00 174.94 175.69 1cee s THR 138 N 0.72 4.43 0.28 2.92 -4.23 -1.26 -4.91 115.64 113.59 1cee s THR 138 Ca 0.43 0.01 0.01 0.00 -1.18 0.00 0.00 61.69 60.97 1cee s THR 138 Cb -0.19 -3.69 0.28 0.00 1.34 0.00 0.00 72.50 70.23 1cee s THR 138 CO 0.22 -0.65 1.69 -0.65 -0.54 0.00 0.00 174.62 174.69 1cee h PRO 139 N 0.16 0.35 0.00 3.99 0.11 -1.98 -1.82 132.00 132.81 1cee h PRO 139 Ca -0.47 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.62 1cee h PRO 139 Cb 1.23 -0.08 0.00 0.00 0.11 0.00 0.00 31.00 32.26 1cee h PRO 139 CO 0.61 0.23 0.00 -1.91 -0.21 0.00 0.00 178.00 176.72 1cee n GLU 140 N -5.08 0.00 -0.29 1.05 2.13 -1.26 0.16 120.64 117.35 1cee n GLU 140 Ca 0.20 0.67 0.11 0.00 0.66 0.00 0.00 57.16 58.80 1cee n GLU 140 Cb 0.60 -1.41 0.27 0.00 0.27 0.00 0.00 31.44 31.18 1cee n GLU 140 CO 0.00 0.00 0.00 1.15 -0.41 0.00 0.00 177.13 177.87 1cee h THR 141 N 0.00 0.45 -0.37 6.31 2.02 -1.89 0.14 112.91 119.58 1cee h THR 141 Ca 0.00 -0.11 -0.03 0.00 0.77 0.00 0.00 66.41 67.04 1cee h THR 141 Cb 0.00 0.09 -0.02 0.00 -1.74 0.00 0.00 68.15 66.48 1cee h THR 141 CO 0.00 0.06 0.13 0.00 0.37 0.00 0.00 175.52 176.08 1cee h ALA 142 N 1.70 0.48 -0.07 6.16 0.00 -0.85 -3.02 119.26 123.67 1cee h ALA 142 Ca 0.53 -0.15 0.04 0.00 0.00 0.00 0.00 54.91 55.33 1cee h ALA 142 Cb 0.99 -0.14 -0.06 0.00 0.00 0.00 0.00 17.79 18.58 1cee h ALA 142 CO -0.55 0.11 -0.36 1.49 0.00 0.00 0.00 179.25 179.94 1cee h GLU 143 N 0.45 -0.45 -0.95 0.00 4.22 0.42 -0.33 114.58 117.94 1cee h GLU 143 Ca 0.12 0.03 0.29 0.00 0.08 0.00 0.00 59.36 59.88 1cee h GLU 143 Cb 0.22 0.10 -0.17 0.00 0.50 0.00 0.00 28.75 29.41 1cee h GLU 143 CO -0.01 -0.30 0.24 -0.22 -2.18 0.00 0.00 179.01 176.54 1cee h LYS 144 N -0.47 0.09 -0.27 1.92 3.64 -1.14 1.08 116.57 121.42 1cee h LYS 144 Ca 0.07 -0.01 -0.04 0.00 -1.27 0.00 0.00 60.65 59.41 1cee h LYS 144 Cb 0.59 -0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 32.37 1cee h LYS 144 CO -0.33 0.06 0.03 -0.07 -2.27 0.00 0.00 179.45 176.87 1cee h LEU 145 N 0.10 0.45 -2.08 5.20 3.38 -1.08 0.97 115.31 122.25 1cee h LEU 145 Ca 0.64 -0.28 0.10 0.00 0.09 0.00 0.00 57.88 58.43 1cee h LEU 145 Cb 1.43 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 42.04 1cee h LEU 145 CO -0.78 0.61 0.31 0.00 0.09 0.00 0.00 178.44 178.68 1cee h ALA 146 N 0.85 2.09 0.06 1.53 0.00 0.27 0.12 119.26 124.17 1cee h ALA 146 Ca 0.08 -0.01 -0.36 0.00 0.00 0.00 0.00 54.91 54.62 1cee h ALA 146 Cb 0.37 0.03 -0.04 0.00 0.00 0.00 0.00 17.79 18.14 1cee h ALA 146 CO 0.01 -0.49 -2.16 0.54 0.00 0.00 0.00 179.25 177.15 1cee n ARG 147 N -3.96 0.70 0.05 0.00 1.74 0.28 0.14 116.66 115.62 1cee n ARG 147 Ca 0.05 0.20 0.03 0.00 -0.77 0.00 0.00 57.85 57.37 1cee n ARG 147 Cb 0.48 -1.64 0.40 0.00 -1.02 0.00 0.00 32.46 30.68 1cee n ARG 147 CO 0.00 0.00 0.00 0.22 -1.52 0.00 0.00 177.63 176.33 1cee h ASP 148 N 0.03 0.37 -0.47 0.55 3.58 0.21 -1.85 116.42 118.84 1cee h ASP 148 Ca -0.47 -0.04 0.00 0.00 0.42 0.00 0.00 57.03 56.94 1cee h ASP 148 Cb 2.01 -0.09 0.00 0.00 1.72 0.00 0.00 39.33 42.97 1cee h ASP 148 CO 0.02 0.37 0.00 0.18 -2.88 0.00 0.00 179.24 176.94 1cee n LEU 149 N -4.38 4.88 -2.00 2.28 4.77 0.30 -4.93 117.00 117.93 1cee n LEU 149 Ca 0.01 -2.86 -0.16 0.00 -0.03 0.00 0.00 56.01 52.97 1cee n LEU 149 Cb 0.16 -0.61 -0.03 0.00 -2.33 0.00 0.00 43.42 40.61 1cee n LEU 149 CO 0.37 0.68 -0.18 0.29 -1.33 0.00 0.00 177.39 177.21 1cee n LYS 150 N 0.31 -1.71 -1.70 3.23 4.01 -0.70 -4.88 118.16 116.73 1cee n LYS 150 Ca 0.25 0.84 -0.43 0.00 -0.51 0.00 0.00 58.31 58.46 1cee n LYS 150 Cb 1.03 -5.32 -0.02 0.00 -0.51 0.00 0.00 35.03 30.21 1cee n LYS 150 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 1cee n ALA 151 N -0.83 1.44 -0.29 7.82 0.00 0.36 -4.58 120.51 124.44 1cee n ALA 151 Ca -0.18 0.38 0.18 0.00 0.00 0.00 0.00 53.44 53.83 1cee n ALA 151 Cb 0.59 -2.30 0.47 0.00 0.00 0.00 0.00 19.45 18.21 1cee n ALA 151 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 177.50 177.11 1cee h VAL 152 N 2.86 0.65 0.00 0.00 -1.51 -1.18 -3.43 116.25 113.65 1cee h VAL 152 Ca -0.46 -0.17 0.00 0.00 -1.23 0.00 0.00 66.70 64.84 1cee h VAL 152 Cb 1.27 0.12 0.00 0.00 -2.13 0.00 0.00 31.29 30.55 1cee h VAL 152 CO 0.70 0.09 0.00 0.29 -1.23 0.00 0.00 177.57 177.42 1cee n LYS 153 N -4.59 0.00 -2.70 5.19 4.76 -1.26 -5.05 118.16 114.51 1cee n LYS 153 Ca 0.22 0.00 -0.42 0.00 -2.87 0.00 0.00 58.31 55.23 1cee n LYS 153 Cb 0.71 0.00 -0.03 0.00 -1.84 0.00 0.00 35.03 33.87 1cee n LYS 153 CO 0.00 0.00 0.00 -0.47 -1.37 0.00 0.00 177.40 175.56 1cee s TYR 154 N -1.47 3.50 0.45 2.13 5.04 -1.26 -2.66 117.35 123.08 1cee s TYR 154 Ca 0.00 1.57 0.01 0.00 -2.44 0.00 0.00 57.07 56.21 1cee s TYR 154 Cb 0.00 -3.18 -0.01 0.00 0.35 0.00 0.00 41.96 39.13 1cee s TYR 154 CO 0.00 -0.23 0.05 1.33 -1.34 0.00 0.00 175.55 175.36 1cee n VAL 155 N 4.58 0.00 -3.68 3.14 0.24 -0.04 -4.98 118.33 117.60 1cee n VAL 155 Ca 0.09 -2.30 -0.14 0.00 -2.04 0.00 0.00 64.34 59.94 1cee n VAL 155 Cb 0.49 0.59 -0.07 0.00 -1.47 0.00 0.00 33.84 33.37 1cee n VAL 155 CO 0.00 0.00 0.00 -1.61 -2.14 0.00 0.00 176.83 173.08 1cee s GLU 156 N -3.67 0.82 -0.19 7.34 2.02 -1.26 -3.00 118.70 120.77 1cee s GLU 156 Ca 0.07 -0.12 -0.28 0.00 0.02 0.00 0.00 54.97 54.66 1cee s GLU 156 Cb 0.00 0.37 0.11 0.00 0.10 0.00 0.00 34.13 34.72 1cee s GLU 156 CO 0.05 -0.25 0.94 0.00 0.02 0.00 0.00 175.26 176.02 1cee s SER 158 N -0.63 0.68 0.08 0.00 0.15 -1.19 -4.36 113.70 108.43 1cee s SER 158 Ca -0.02 -0.12 0.16 0.00 0.70 0.00 0.00 55.95 56.67 1cee s SER 158 Cb -0.02 -0.07 -0.13 0.00 -1.71 0.00 0.00 66.02 64.09 1cee s SER 158 CO 0.00 0.06 0.89 0.00 1.20 0.00 0.00 173.24 175.40 1cee h ALA 159 N 5.95 0.66 0.00 5.45 0.00 -1.88 0.87 119.26 130.31 1cee h ALA 159 Ca -0.28 -0.87 -0.27 0.00 0.00 0.00 0.00 54.91 53.48 1cee h ALA 159 Cb 1.19 0.25 -0.05 0.00 0.00 0.00 0.00 17.79 19.18 1cee h ALA 159 CO 0.50 0.97 -1.62 1.25 0.00 0.00 0.00 179.25 180.34 1cee h LEU 160 N 0.00 0.00 0.00 0.00 5.85 -1.96 -3.40 115.31 115.81 1cee h LEU 160 Ca -0.15 0.00 -0.21 0.00 0.84 0.00 0.00 57.88 58.35 1cee h LEU 160 Cb 1.61 0.00 -0.04 0.00 0.37 0.00 0.00 40.66 42.60 1cee h LEU 160 CO 0.05 0.96 -1.90 0.41 -0.34 0.00 0.00 178.44 177.62 1cee n THR 161 N -3.05 0.81 -1.38 1.05 -1.04 -1.26 -5.00 114.28 104.40 1cee n THR 161 Ca -0.15 -0.55 -0.09 0.00 -2.04 0.00 0.00 64.05 61.22 1cee n THR 161 Cb 1.02 -0.53 -0.04 0.00 -1.82 0.00 0.00 70.33 68.97 1cee n THR 161 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1cee n GLN 162 N -2.44 -0.66 -2.13 -2.82 6.02 0.30 -4.94 117.38 110.72 1cee n GLN 162 Ca -0.20 0.78 -0.39 0.00 -0.01 0.00 0.00 57.00 57.19 1cee n GLN 162 Cb 0.87 -4.70 -0.03 0.00 1.02 0.00 0.00 30.24 27.40 1cee n GLN 162 CO 0.00 0.00 0.00 0.21 -1.01 0.00 0.00 177.06 176.26 1cee s LYS 163 N -3.00 2.79 -1.22 -1.09 2.20 -1.25 -2.74 119.74 115.43 1cee s LYS 163 Ca 0.00 0.55 0.00 0.00 -0.36 0.00 0.00 55.97 56.16 1cee s LYS 163 Cb 0.00 -4.33 0.00 0.00 -1.51 0.00 0.00 37.83 31.99 1cee s LYS 163 CO 0.00 -2.55 0.00 0.41 -0.36 0.00 0.00 175.35 172.85 1cee n GLY 164 N 5.61 0.92 0.36 5.54 0.00 -1.26 -3.17 105.19 113.19 1cee n GLY 164 Ca 0.18 -0.44 0.05 0.00 0.00 0.00 0.00 46.02 45.81 1cee n GLY 164 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1cee h LEU 165 N 0.00 0.82 0.02 0.99 5.85 -1.69 -1.69 115.31 119.62 1cee h LEU 165 Ca -0.26 0.01 -0.20 0.00 0.84 0.00 0.00 57.88 58.26 1cee h LEU 165 Cb 0.91 -0.17 -0.02 0.00 0.37 0.00 0.00 40.66 41.75 1cee h LEU 165 CO 0.36 0.52 -1.09 0.07 -0.34 0.00 0.00 178.44 177.96 1cee h LYS 166 N 0.93 0.05 -0.76 1.25 2.10 -1.89 -3.38 116.57 114.86 1cee h LYS 166 Ca 0.37 -0.09 0.15 0.00 -2.00 0.00 0.00 60.65 59.08 1cee h LYS 166 Cb 0.23 0.03 -0.10 0.00 -0.90 0.00 0.00 32.23 31.50 1cee h LYS 166 CO -0.13 1.04 0.29 -0.97 -2.00 0.00 0.00 179.45 177.68 1cee h ASN 167 N -0.84 0.24 -1.00 7.07 -0.73 -1.87 0.11 115.58 118.56 1cee h ASN 167 Ca -0.28 0.12 0.23 0.00 1.87 0.00 0.00 56.30 58.23 1cee h ASN 167 Cb 1.36 0.11 -0.12 0.00 0.27 0.00 0.00 38.32 39.93 1cee h ASN 167 CO -0.12 0.08 0.60 1.62 -0.37 0.00 0.00 177.43 179.24 1cee h VAL 168 N 0.42 0.59 -0.14 2.57 3.04 -1.45 0.22 116.25 121.49 1cee h VAL 168 Ca 0.42 -0.22 -0.22 0.00 -1.01 0.00 0.00 66.70 65.68 1cee h VAL 168 Cb 0.66 -0.10 0.01 0.00 -2.01 0.00 0.00 31.29 29.85 1cee h VAL 168 CO -0.43 0.12 -0.78 -0.26 -1.01 0.00 0.00 177.57 175.21 1cee h PHE 169 N 0.63 0.97 -0.15 3.17 0.04 -1.01 -2.90 116.94 117.69 1cee h PHE 169 Ca 0.62 -0.43 0.04 0.00 2.80 0.00 0.00 57.97 61.01 1cee h PHE 169 Cb 1.12 -0.15 -0.01 0.00 2.20 0.00 0.00 35.95 39.12 1cee h PHE 169 CO -0.01 1.25 0.15 -0.44 -0.60 0.00 0.00 178.31 178.67 1cee h ASP 170 N 0.49 0.00 0.87 2.17 5.19 0.45 0.13 116.42 125.72 1cee h ASP 170 Ca -0.05 0.00 -0.23 0.00 -0.62 0.00 0.00 57.03 56.13 1cee h ASP 170 Cb 1.40 0.00 -0.02 0.00 0.18 0.00 0.00 39.33 40.89 1cee h ASP 170 CO 0.16 0.00 -1.12 -0.08 -3.12 0.00 0.00 179.24 175.08 1cee h GLU 171 N 0.00 0.06 0.21 3.56 4.57 -1.07 -3.06 114.58 118.85 1cee h GLU 171 Ca 0.07 -0.11 -0.01 0.00 -1.18 0.00 0.00 59.36 58.13 1cee h GLU 171 Cb 0.38 0.04 0.00 0.00 -0.16 0.00 0.00 28.75 29.01 1cee h GLU 171 CO -0.00 1.01 -0.10 0.00 -1.18 0.00 0.00 179.01 178.74 1cee h ALA 172 N 0.90 -0.92 -0.50 2.92 0.00 -0.57 0.10 119.26 121.19 1cee h ALA 172 Ca -0.06 -0.06 0.07 0.00 0.00 0.00 0.00 54.91 54.86 1cee h ALA 172 Cb 1.84 0.11 -0.10 0.00 0.00 0.00 0.00 17.79 19.64 1cee h ALA 172 CO 0.14 -0.90 -0.46 0.82 0.00 0.00 0.00 179.25 178.85 1cee h ILE 173 N -0.33 0.07 -1.01 0.00 5.03 -1.61 1.22 117.51 120.90 1cee h ILE 173 Ca -0.03 0.00 0.25 0.00 -0.12 0.00 0.00 64.86 64.96 1cee h ILE 173 Cb 0.22 0.07 -0.08 0.00 -3.03 0.00 0.00 36.82 34.00 1cee h ILE 173 CO 0.05 0.00 0.66 0.25 -0.68 0.00 0.00 178.15 178.43 1cee h LEU 174 N -0.29 0.38 0.09 1.44 5.85 -1.59 0.22 115.31 121.41 1cee h LEU 174 Ca 0.14 0.06 -0.00 0.00 0.84 0.00 0.00 57.88 58.92 1cee h LEU 174 Cb 0.57 -0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.60 1cee h LEU 174 CO -0.64 0.10 -0.04 0.00 -0.34 0.00 0.00 178.44 177.52 1cee h ALA 175 N 1.60 -0.11 -0.37 1.25 0.00 0.32 -3.35 119.26 118.59 1cee h ALA 175 Ca 0.55 -0.25 0.08 0.00 0.00 0.00 0.00 54.91 55.29 1cee h ALA 175 Cb 1.47 0.04 -0.09 0.00 0.00 0.00 0.00 17.79 19.22 1cee h ALA 175 CO -0.22 -0.16 -0.32 0.00 0.00 0.00 0.00 179.25 178.55 1cee h ALA 176 N -0.38 -0.19 -3.00 0.00 0.00 0.21 -3.42 119.26 112.48 1cee h ALA 176 Ca -0.01 0.10 -0.09 0.00 0.00 0.00 0.00 54.91 54.90 1cee h ALA 176 Cb 0.53 0.69 0.05 0.00 0.00 0.00 0.00 17.79 19.06 1cee h ALA 176 CO 0.02 -0.73 -0.04 1.28 0.00 0.00 0.00 179.25 179.78 1cee n LEU 177 N -5.41 0.00 -3.59 0.00 4.77 0.68 -4.81 117.00 108.64 1cee n LEU 177 Ca 0.01 -0.23 -0.05 0.00 -0.03 0.00 0.00 56.01 55.71 1cee n LEU 177 Cb 0.33 -0.25 -0.02 0.00 -2.33 0.00 0.00 43.42 41.16 1cee n LEU 177 CO 0.08 -1.81 0.83 -1.83 -1.33 0.00 0.00 177.39 173.34 1cee s GLU 178 N -3.53 0.68 0.00 3.23 -1.05 -1.26 -4.97 118.70 111.80 1cee s GLU 178 Ca 0.17 -0.30 0.00 0.00 -0.15 0.00 0.00 54.97 54.69 1cee s GLU 178 Cb -0.03 0.28 0.00 0.00 -0.44 0.00 0.00 34.13 33.94 1cee s GLU 178 CO 0.14 -0.30 0.09 -0.35 0.95 0.00 0.00 175.26 175.79