#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1cf4 n GLN 2 N 0.00 -3.01 -3.88 3.17 0.00 -1.26 -4.79 117.38 107.60 1cf4 n GLN 2 Ca 0.00 2.43 -0.20 0.00 -0.00 0.00 0.00 57.00 59.23 1cf4 n GLN 2 Cb 0.00 -3.59 -0.06 0.00 0.00 0.00 0.00 30.24 26.60 1cf4 n GLN 2 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.06 179.47 1cf4 n THR 3 N -4.22 0.00 -3.67 1.69 -1.04 -1.26 -5.00 114.28 100.78 1cf4 n THR 3 Ca -0.08 -1.85 -0.15 0.00 -2.04 0.00 0.00 64.05 59.93 1cf4 n THR 3 Cb 0.63 0.65 -0.08 0.00 -1.82 0.00 0.00 70.33 69.71 1cf4 n THR 3 CO 0.00 0.00 0.00 0.27 -0.64 0.00 0.00 175.07 174.70 1cf4 s ILE 4 N -2.72 0.03 -0.35 12.58 -4.36 -1.26 -4.10 121.20 121.02 1cf4 s ILE 4 Ca 0.15 -0.23 -0.00 0.00 -0.26 0.00 0.00 60.65 60.31 1cf4 s ILE 4 Cb 0.01 -0.76 0.12 0.00 1.25 0.00 0.00 42.46 43.07 1cf4 s ILE 4 CO 0.11 -0.13 0.16 -0.54 0.24 0.00 0.00 174.94 174.78 1cf4 s LYS 5 N -1.00 0.75 0.19 0.37 1.02 -1.26 -4.23 119.74 115.57 1cf4 s LYS 5 Ca -0.10 -1.27 0.08 0.00 0.02 0.00 0.00 55.97 54.70 1cf4 s LYS 5 Cb -0.03 -1.83 -0.04 0.00 -0.52 0.00 0.00 37.83 35.41 1cf4 s LYS 5 CO 0.06 -1.08 -0.03 0.00 -0.92 0.00 0.00 175.35 173.38 1cf4 s VAL 7 N -1.80 0.53 -0.38 0.00 1.01 -1.26 -3.61 120.40 114.89 1cf4 s VAL 7 Ca 0.27 -1.86 -0.21 0.00 0.00 0.00 0.00 61.98 60.18 1cf4 s VAL 7 Cb -0.09 -1.58 0.01 0.00 0.00 0.00 0.00 36.38 34.72 1cf4 s VAL 7 CO 0.18 -0.90 0.68 -0.69 0.00 0.00 0.00 175.10 174.37 1cf4 s VAL 8 N -3.63 4.83 -0.06 2.92 1.01 -1.26 -2.53 120.40 121.69 1cf4 s VAL 8 Ca 0.09 0.58 0.02 0.00 0.00 0.00 0.00 61.98 62.67 1cf4 s VAL 8 Cb 0.06 -4.14 0.02 0.00 0.00 0.00 0.00 36.38 32.31 1cf4 s VAL 8 CO -0.06 -0.41 -0.09 -0.69 0.00 0.00 0.00 175.10 173.85 1cf4 s VAL 9 N 2.86 0.93 0.00 2.92 1.01 -1.12 -4.83 120.40 122.16 1cf4 s VAL 9 Ca 0.26 -0.35 0.00 0.00 0.00 0.00 0.00 61.98 61.89 1cf4 s VAL 9 Cb -0.14 -0.88 0.00 0.00 0.00 0.00 0.00 36.38 35.36 1cf4 s VAL 9 CO 0.16 0.31 0.00 0.61 0.00 0.00 0.00 175.10 176.19 1cf4 n GLY 10 N 3.93 0.77 0.60 4.51 0.00 -1.26 -3.91 105.19 109.83 1cf4 n GLY 10 Ca -0.23 -0.57 -0.10 0.00 0.00 0.00 0.00 46.02 45.11 1cf4 n GLY 10 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1cf4 n ASP 11 N 0.00 1.13 0.00 1.61 8.00 -1.26 -5.05 116.55 120.98 1cf4 n ASP 11 Ca 0.00 0.18 0.00 0.00 0.71 0.00 0.00 54.79 55.68 1cf4 n ASP 11 Cb 0.00 -0.44 0.00 0.00 -0.02 0.00 0.00 41.12 40.66 1cf4 n ASP 11 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1cf4 n GLY 12 N 2.31 5.48 0.62 0.44 0.00 -1.26 -4.99 105.19 107.79 1cf4 n GLY 12 Ca -0.19 -1.11 0.47 0.00 0.00 0.00 0.00 46.02 45.19 1cf4 n GLY 12 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1cf4 h ALA 13 N 1.00 3.44 -3.03 4.61 0.00 -1.98 -3.44 119.26 119.86 1cf4 h ALA 13 Ca 0.00 -0.00 -0.17 0.00 0.00 0.00 0.00 54.91 54.73 1cf4 h ALA 13 Cb 0.00 0.17 -0.04 0.00 0.00 0.00 0.00 17.79 17.92 1cf4 h ALA 13 CO 0.00 -2.01 -0.19 1.33 0.00 0.00 0.00 179.25 178.38 1cf4 n VAL 14 N -4.21 -0.22 -1.38 0.00 0.24 -1.26 0.12 118.33 111.61 1cf4 n VAL 14 Ca 0.41 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.71 1cf4 n VAL 14 Cb 1.76 -1.03 0.00 0.00 -1.47 0.00 0.00 33.84 33.10 1cf4 n VAL 14 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1cf4 n GLY 15 N -0.46 0.59 0.00 7.63 0.00 -1.26 -4.73 105.19 106.96 1cf4 n GLY 15 Ca -0.09 -0.80 0.00 0.00 0.00 0.00 0.00 46.02 45.13 1cf4 n GLY 15 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1cf4 n LYS 16 N -1.64 0.00 -0.09 1.61 3.00 0.32 -4.73 118.16 116.63 1cf4 n LYS 16 Ca 0.00 0.03 -0.11 0.00 -0.00 0.00 0.00 58.31 58.24 1cf4 n LYS 16 Cb 0.27 -0.40 -0.04 0.00 0.00 0.00 0.00 35.03 34.86 1cf4 n LYS 16 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.40 177.65 1cf4 n THR 17 N -2.15 1.48 -0.32 3.15 -2.24 -1.26 -4.41 114.28 108.53 1cf4 n THR 17 Ca 0.00 0.10 0.12 0.00 -2.27 0.00 0.00 64.05 62.00 1cf4 n THR 17 Cb 0.00 -2.30 0.26 0.00 -2.10 0.00 0.00 70.33 66.19 1cf4 n THR 17 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1cf4 h LEU 19 N 0.05 -0.57 -1.97 0.00 4.07 -1.85 1.10 115.31 116.15 1cf4 h LEU 19 Ca 0.55 0.19 -0.02 0.00 0.08 0.00 0.00 57.88 58.68 1cf4 h LEU 19 Cb 1.09 0.39 -0.00 0.00 1.08 0.00 0.00 40.66 43.22 1cf4 h LEU 19 CO -0.84 -0.21 -0.10 -0.07 -1.08 0.00 0.00 178.44 176.15 1cf4 h LEU 20 N 0.01 0.00 0.00 1.67 3.38 -0.74 -2.37 115.31 117.26 1cf4 h LEU 20 Ca 0.32 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.29 1cf4 h LEU 20 Cb 0.49 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.24 1cf4 h LEU 20 CO -0.66 0.10 0.00 -0.38 0.09 0.00 0.00 178.44 177.59 1cf4 n ILE 21 N -3.57 0.00 -0.15 1.22 2.08 0.36 -2.19 119.36 117.10 1cf4 n ILE 21 Ca -0.02 0.77 0.29 0.00 0.56 0.00 0.00 62.75 64.35 1cf4 n ILE 21 Cb 0.23 -1.74 0.69 0.00 -0.75 0.00 0.00 39.64 38.07 1cf4 n ILE 21 CO 0.00 0.00 0.00 0.77 0.56 0.00 0.00 176.55 177.88 1cf4 h SER 22 N 0.00 0.00 0.13 4.38 4.64 -1.09 1.66 113.55 123.27 1cf4 h SER 22 Ca 0.00 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.31 1cf4 h SER 22 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 1cf4 h SER 22 CO 0.00 0.00 -0.06 0.22 -0.87 0.00 0.00 176.83 176.12 1cf4 h TYR 23 N 0.00 -0.16 -0.03 4.77 3.20 -1.50 -3.39 116.97 119.86 1cf4 h TYR 23 Ca 0.42 -0.00 -0.03 0.00 3.14 0.00 0.00 58.73 62.26 1cf4 h TYR 23 Cb 1.98 0.05 0.00 0.00 1.54 0.00 0.00 36.73 40.30 1cf4 h TYR 23 CO 0.00 -0.10 -0.09 1.15 -1.64 0.00 0.00 178.16 177.48 1cf4 h THR 24 N -0.31 1.46 -0.42 1.81 2.02 -0.89 -3.46 112.91 113.12 1cf4 h THR 24 Ca -0.02 -1.49 0.00 0.00 0.77 0.00 0.00 66.41 65.67 1cf4 h THR 24 Cb 0.13 2.37 0.00 0.00 -1.74 0.00 0.00 68.15 68.91 1cf4 h THR 24 CO 0.03 0.40 0.00 0.35 0.37 0.00 0.00 175.52 176.67 1cf4 n THR 25 N -4.68 0.00 -1.99 3.16 -2.24 0.56 -5.07 114.28 104.02 1cf4 n THR 25 Ca -0.08 0.00 -0.06 0.00 -2.27 0.00 0.00 64.05 61.63 1cf4 n THR 25 Cb 0.36 -0.19 -0.06 0.00 -2.10 0.00 0.00 70.33 68.33 1cf4 n THR 25 CO 0.00 0.00 0.00 -0.46 -0.57 0.00 0.00 175.07 174.04 1cf4 n ASN 26 N 0.00 -0.93 -3.98 3.42 2.04 -1.25 -4.59 115.26 109.96 1cf4 n ASN 26 Ca 0.00 -1.91 -0.31 0.00 -0.44 0.00 0.00 54.58 51.92 1cf4 n ASN 26 Cb 0.00 0.28 -0.15 0.00 -2.53 0.00 0.00 39.78 37.38 1cf4 n ASN 26 CO 0.00 0.00 0.00 -1.59 -0.44 0.00 0.00 177.26 175.23 1cf4 s LYS 27 N 0.00 1.63 -0.03 -3.83 0.00 -1.26 -4.97 119.74 111.28 1cf4 s LYS 27 Ca 0.00 -1.45 -0.07 0.00 0.00 0.00 0.00 55.97 54.44 1cf4 s LYS 27 Cb 0.00 -2.85 -0.02 0.00 0.00 0.00 0.00 37.83 34.95 1cf4 s LYS 27 CO 0.00 -0.77 -0.14 0.34 0.00 0.00 0.00 175.35 174.78 1cf4 n PHE 28 N 4.46 0.00 -2.82 1.78 7.35 -1.26 -4.62 117.46 122.35 1cf4 n PHE 28 Ca -0.05 0.00 -0.43 0.00 -0.76 0.00 0.00 57.45 56.21 1cf4 n PHE 28 Cb 0.42 -0.20 -0.02 0.00 0.35 0.00 0.00 39.48 40.03 1cf4 n PHE 28 CO 0.00 0.00 0.00 -1.25 -0.76 0.00 0.00 176.76 174.75 1cf4 s PRO 29 N -2.19 3.63 0.00 -7.13 0.04 -1.26 -4.62 135.00 123.46 1cf4 s PRO 29 Ca -0.12 -1.62 0.00 0.00 0.04 0.00 0.00 61.00 59.30 1cf4 s PRO 29 Cb 0.02 -5.06 0.00 0.00 0.04 0.00 0.00 34.50 29.49 1cf4 s PRO 29 CO 0.17 -1.91 0.00 -1.13 0.04 0.00 0.00 177.00 174.18 1cf4 n SER 30 N 7.21 0.00 -3.64 6.66 3.41 -1.26 -5.15 113.62 120.85 1cf4 n SER 30 Ca 0.28 0.00 -0.02 0.00 -0.26 0.00 0.00 58.87 58.87 1cf4 n SER 30 Cb 0.49 0.00 -0.05 0.00 -0.26 0.00 0.00 64.21 64.40 1cf4 n SER 30 CO 0.00 0.00 0.00 -1.83 -0.16 0.00 0.00 175.04 173.05 1cf4 s GLU 31 N 0.47 0.60 -0.68 4.33 1.03 -1.26 -5.11 118.70 118.08 1cf4 s GLU 31 Ca 0.00 1.40 -0.13 0.00 0.03 0.00 0.00 54.97 56.27 1cf4 s GLU 31 Cb 0.00 0.73 0.18 0.00 -0.80 0.00 0.00 34.13 34.24 1cf4 s GLU 31 CO 0.00 -0.19 0.61 0.71 -1.33 0.00 0.00 175.26 175.06 1cf4 s TYR 32 N 2.65 3.54 -0.25 4.83 1.51 -1.26 -4.86 117.35 123.51 1cf4 s TYR 32 Ca -0.07 -1.84 -0.15 0.00 -1.01 0.00 0.00 57.07 54.00 1cf4 s TYR 32 Cb -0.11 -3.72 -0.11 0.00 -0.11 0.00 0.00 41.96 37.91 1cf4 s TYR 32 CO -0.19 -0.99 -0.30 0.28 -1.11 0.00 0.00 175.55 173.25 1cf4 n VAL 33 N 4.41 1.52 -0.82 0.71 0.31 -1.26 -4.61 118.33 118.60 1cf4 n VAL 33 Ca 0.02 -0.25 -0.19 0.00 -0.01 0.00 0.00 64.34 63.91 1cf4 n VAL 33 Cb 0.43 -1.99 -0.06 0.00 -0.91 0.00 0.00 33.84 31.31 1cf4 n VAL 33 CO 0.00 0.00 0.00 -2.65 -1.32 0.00 0.00 176.83 172.86 1cf4 n PRO 34 N -4.31 2.10 -0.02 5.55 -0.02 -1.26 -3.79 135.00 133.24 1cf4 n PRO 34 Ca -0.44 -1.28 -0.02 0.00 -2.02 0.00 0.00 63.50 59.73 1cf4 n PRO 34 Cb 0.79 -2.27 -0.02 0.00 -0.02 0.00 0.00 33.50 31.98 1cf4 n PRO 34 CO 0.00 0.00 0.00 -2.37 1.98 0.00 0.00 175.50 175.11 1cf4 n THR 35 N 3.46 0.23 0.02 3.45 5.66 -1.26 -4.61 114.28 121.23 1cf4 n THR 35 Ca 0.45 -0.12 0.22 0.00 -3.05 0.00 0.00 64.05 61.55 1cf4 n THR 35 Cb 0.35 -0.82 0.73 0.00 -1.55 0.00 0.00 70.33 69.05 1cf4 n THR 35 CO 0.00 0.00 0.00 1.62 -3.05 0.00 0.00 175.07 173.64 1cf4 h VAL 36 N 0.00 0.45 -0.70 1.08 3.04 -1.87 0.11 116.25 118.35 1cf4 h VAL 36 Ca -0.09 0.00 -0.48 0.00 -1.01 0.00 0.00 66.70 65.12 1cf4 h VAL 36 Cb 1.18 0.63 -0.20 0.00 -2.01 0.00 0.00 31.29 30.89 1cf4 h VAL 36 CO -0.00 0.00 0.61 0.49 -1.01 0.00 0.00 177.57 177.66 1cf4 n PHE 37 N -3.89 2.26 -0.85 3.17 3.01 -1.26 -4.56 117.46 115.33 1cf4 n PHE 37 Ca 0.10 -2.42 -0.21 0.00 1.01 0.00 0.00 57.45 55.93 1cf4 n PHE 37 Cb 0.70 -1.17 0.08 0.00 -0.01 0.00 0.00 39.48 39.07 1cf4 n PHE 37 CO 0.00 0.00 0.00 -0.25 1.01 0.00 0.00 176.76 177.52 1cf4 n ASP 38 N -0.19 5.64 -0.12 4.37 9.92 0.38 -4.04 116.55 132.51 1cf4 n ASP 38 Ca 0.44 -3.25 0.07 0.00 -0.53 0.00 0.00 54.79 51.52 1cf4 n ASP 38 Cb 0.61 -0.91 0.09 0.00 -0.64 0.00 0.00 41.12 40.27 1cf4 n ASP 38 CO 0.00 0.00 0.00 -3.20 0.13 0.00 0.00 177.20 174.13 1cf4 n ASN 39 N -0.33 1.85 -2.67 -2.24 4.05 -1.26 -4.21 115.26 110.45 1cf4 n ASN 39 Ca 0.42 -2.69 0.00 0.00 0.45 0.00 0.00 54.58 52.76 1cf4 n ASN 39 Cb 0.87 -0.32 0.00 0.00 1.23 0.00 0.00 39.78 41.57 1cf4 n ASN 39 CO 0.00 0.00 0.00 -1.22 -3.05 0.00 0.00 177.26 172.99 1cf4 n TYR 40 N -1.03 -2.03 -3.43 1.20 4.01 -1.26 -5.01 117.16 109.62 1cf4 n TYR 40 Ca 0.11 0.00 -0.22 0.00 -0.16 0.00 0.00 57.90 57.62 1cf4 n TYR 40 Cb 0.59 0.00 -0.01 0.00 -0.31 0.00 0.00 39.34 39.61 1cf4 n TYR 40 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1cf4 s ALA 41 N -3.57 3.84 -0.14 -0.72 0.00 -1.26 -4.92 121.76 114.98 1cf4 s ALA 41 Ca 0.00 -1.09 -0.07 0.00 0.00 0.00 0.00 51.96 50.79 1cf4 s ALA 41 Cb 0.00 -1.97 0.05 0.00 0.00 0.00 0.00 23.12 21.21 1cf4 s ALA 41 CO 0.00 -0.04 0.34 0.14 0.00 0.00 0.00 175.76 176.20 1cf4 s VAL 42 N -2.27 -0.06 -0.53 0.00 -7.23 -1.26 -5.12 120.40 103.92 1cf4 s VAL 42 Ca 0.41 0.12 -0.23 0.00 -1.81 0.00 0.00 61.98 60.47 1cf4 s VAL 42 Cb -0.10 -0.52 0.04 0.00 0.56 0.00 0.00 36.38 36.37 1cf4 s VAL 42 CO 0.34 0.05 0.87 0.28 -0.31 0.00 0.00 175.10 176.33 1cf4 s THR 43 N 1.41 4.50 0.09 5.32 -1.32 -1.26 -4.57 115.64 119.81 1cf4 s THR 43 Ca -0.09 0.16 -0.25 0.00 -1.21 0.00 0.00 61.69 60.30 1cf4 s THR 43 Cb -0.09 -4.48 0.08 0.00 -1.51 0.00 0.00 72.50 66.50 1cf4 s THR 43 CO -0.11 -1.02 0.66 -0.69 -2.21 0.00 0.00 174.62 171.25 1cf4 s VAL 44 N 3.65 0.00 -0.59 5.08 1.01 -1.26 -5.10 120.40 123.20 1cf4 s VAL 44 Ca 0.28 0.00 -0.14 0.00 0.00 0.00 0.00 61.98 62.12 1cf4 s VAL 44 Cb -0.14 -1.00 0.15 0.00 0.00 0.00 0.00 36.38 35.39 1cf4 s VAL 44 CO 0.18 0.00 0.52 -0.32 0.00 0.00 0.00 175.10 175.49 1cf4 s MET 45 N -3.12 3.00 -1.09 2.72 1.75 -1.26 -1.20 119.30 120.10 1cf4 s MET 45 Ca -0.01 -1.91 -0.22 0.00 -1.25 0.00 0.00 55.69 52.31 1cf4 s MET 45 Cb -0.01 -4.24 0.02 0.00 2.84 0.00 0.00 34.83 33.45 1cf4 s MET 45 CO -0.08 -1.29 1.67 0.42 -0.65 0.00 0.00 175.02 175.09 1cf4 s ILE 46 N 1.20 3.84 0.00 10.11 -1.09 0.14 -4.69 121.20 130.71 1cf4 s ILE 46 Ca 0.07 -1.00 0.00 0.00 -2.23 0.00 0.00 60.65 57.49 1cf4 s ILE 46 Cb -0.25 -4.85 0.00 0.00 -1.58 0.00 0.00 42.46 35.78 1cf4 s ILE 46 CO -0.00 -1.68 0.00 0.61 -1.23 0.00 0.00 174.94 172.64 1cf4 n GLY 47 N 6.38 0.00 0.00 6.18 0.00 -1.26 -4.28 105.19 112.21 1cf4 n GLY 47 Ca 0.40 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.42 1cf4 n GLY 47 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1cf4 n GLY 48 N 1.34 1.64 3.20 -0.02 0.00 -1.26 -4.22 105.19 105.87 1cf4 n GLY 48 Ca 0.00 -0.58 -0.27 0.00 0.00 0.00 0.00 46.02 45.18 1cf4 n GLY 48 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1cf4 s GLU 49 N 0.00 1.62 -0.85 1.61 -1.05 -1.26 -5.02 118.70 113.75 1cf4 s GLU 49 Ca 0.00 -0.71 -0.30 0.00 -0.15 0.00 0.00 54.97 53.82 1cf4 s GLU 49 Cb 0.00 -1.56 -0.20 0.00 -0.44 0.00 0.00 34.13 31.93 1cf4 s GLU 49 CO 0.00 0.42 2.38 -2.30 0.95 0.00 0.00 175.26 176.71 1cf4 n PRO 50 N 2.61 0.00 -3.59 -4.83 -0.02 -1.26 -4.15 135.00 123.76 1cf4 n PRO 50 Ca -0.15 0.00 -0.06 0.00 -2.02 0.00 0.00 63.50 61.27 1cf4 n PRO 50 Cb 0.53 -1.36 -0.03 0.00 -0.02 0.00 0.00 33.50 32.62 1cf4 n PRO 50 CO 0.00 0.00 0.00 -0.47 1.98 0.00 0.00 175.50 177.01 1cf4 s TYR 51 N 7.81 -0.21 0.05 6.00 6.14 -0.34 -4.93 117.35 131.87 1cf4 s TYR 51 Ca 1.21 0.27 0.02 0.00 0.64 0.00 0.00 57.07 59.20 1cf4 s TYR 51 Cb -1.17 0.49 -0.03 0.00 0.42 0.00 0.00 41.96 41.68 1cf4 s TYR 51 CO 0.46 -0.25 -0.07 0.95 0.64 0.00 0.00 175.55 177.28 1cf4 s THR 52 N -1.79 0.50 0.73 4.34 -4.23 -1.25 0.24 115.64 114.17 1cf4 s THR 52 Ca 0.05 -1.31 -0.11 0.00 -1.18 0.00 0.00 61.69 59.15 1cf4 s THR 52 Cb -0.01 -0.88 0.03 0.00 1.34 0.00 0.00 72.50 72.98 1cf4 s THR 52 CO -0.04 -0.55 1.07 -1.48 -0.54 0.00 0.00 174.62 173.08 1cf4 s LEU 53 N -1.99 2.96 -1.01 4.79 -0.00 -1.26 -4.97 118.68 117.20 1cf4 s LEU 53 Ca -0.05 1.52 -0.18 0.00 -0.00 0.00 0.00 54.13 55.43 1cf4 s LEU 53 Cb -0.05 -4.31 0.13 0.00 -0.00 0.00 0.00 46.19 41.96 1cf4 s LEU 53 CO -0.02 -1.62 1.23 -0.83 -0.00 0.00 0.00 176.35 175.11 1cf4 s GLY 54 N -3.83 2.00 -0.53 -3.48 0.00 -1.26 -4.97 107.32 95.25 1cf4 s GLY 54 Ca 0.59 -2.88 -0.26 0.00 0.00 0.00 0.00 44.72 42.16 1cf4 s GLY 54 CO 0.55 2.07 2.44 1.04 0.00 0.00 0.00 173.10 179.20 1cf4 n LEU 55 N 6.51 2.15 -4.54 0.66 4.32 -1.26 -4.73 117.00 120.11 1cf4 n LEU 55 Ca 0.28 -0.47 -0.43 0.00 -0.02 0.00 0.00 56.01 55.37 1cf4 n LEU 55 Cb 0.48 -1.54 -0.04 0.00 -1.62 0.00 0.00 43.42 40.70 1cf4 n LEU 55 CO 0.55 -1.53 0.83 -0.36 -1.22 0.00 0.00 177.39 175.66 1cf4 s PHE 56 N 12.05 2.74 -0.19 -1.77 0.40 -1.24 -4.32 117.98 125.66 1cf4 s PHE 56 Ca 1.01 0.08 -0.07 0.00 -0.60 0.00 0.00 56.93 57.35 1cf4 s PHE 56 Cb -0.26 -4.19 -0.04 0.00 0.51 0.00 0.00 43.02 39.04 1cf4 s PHE 56 CO 0.28 -1.42 0.06 0.34 0.70 0.00 0.00 175.22 175.18 1cf4 s ASP 57 N 2.89 5.55 -0.22 1.36 2.15 -1.26 -4.05 116.67 123.09 1cf4 s ASP 57 Ca 0.33 0.05 -0.12 0.00 0.43 0.00 0.00 52.55 53.24 1cf4 s ASP 57 Cb -0.11 -1.95 -0.05 0.00 -0.30 0.00 0.00 42.92 40.51 1cf4 s ASP 57 CO 0.21 0.16 0.23 0.42 -0.17 0.00 0.00 175.17 176.01 1cf4 s THR 58 N 0.47 5.32 -0.27 1.71 -4.23 -1.26 -4.81 115.64 112.56 1cf4 s THR 58 Ca 0.03 0.35 -0.08 0.00 -1.18 0.00 0.00 61.69 60.81 1cf4 s THR 58 Cb -0.13 -3.57 0.13 0.00 1.34 0.00 0.00 72.50 70.27 1cf4 s THR 58 CO 0.01 0.34 0.57 0.00 -0.54 0.00 0.00 174.62 175.00 1cf4 s ALA 59 N 0.99 -1.81 -0.88 3.99 0.00 -1.26 -4.95 121.76 117.84 1cf4 s ALA 59 Ca 0.11 2.02 -0.23 0.00 0.00 0.00 0.00 51.96 53.86 1cf4 s ALA 59 Cb -0.13 -1.70 -0.15 0.00 0.00 0.00 0.00 23.12 21.13 1cf4 s ALA 59 CO 0.04 -0.95 1.91 0.41 0.00 0.00 0.00 175.76 177.18 1cf4 n GLY 60 N 5.43 1.81 0.00 0.00 0.00 -1.23 -4.04 105.19 107.16 1cf4 n GLY 60 Ca -0.09 -1.01 0.00 0.00 0.00 0.00 0.00 46.02 44.91 1cf4 n GLY 60 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1cf4 n LEU 61 N 10.34 0.00 -0.10 0.99 4.32 -0.75 -4.94 117.00 126.86 1cf4 n LEU 61 Ca 0.48 0.00 -0.11 0.00 -0.02 0.00 0.00 56.01 56.36 1cf4 n LEU 61 Cb 0.43 0.00 -0.15 0.00 -1.62 0.00 0.00 43.42 42.08 1cf4 n LEU 61 CO 0.91 0.00 -1.13 -0.62 -1.22 0.00 0.00 177.39 175.34 1cf4 n GLU 62 N 0.00 0.68 0.08 3.23 -0.58 -1.26 -4.65 120.64 118.14 1cf4 n GLU 62 Ca 0.00 0.04 -0.04 0.00 -0.42 0.00 0.00 57.16 56.74 1cf4 n GLU 62 Cb 0.00 -1.54 -0.02 0.00 -0.57 0.00 0.00 31.44 29.31 1cf4 n GLU 62 CO 0.00 0.00 0.00 0.22 -0.48 0.00 0.00 177.13 176.87 1cf4 h ASP 63 N 0.00 -0.22 -3.65 1.62 1.82 -1.87 -3.45 116.42 110.66 1cf4 h ASP 63 Ca -0.53 0.01 -0.67 0.00 -0.39 0.00 0.00 57.03 55.44 1cf4 h ASP 63 Cb 2.19 0.06 -0.27 0.00 0.68 0.00 0.00 39.33 41.98 1cf4 h ASP 63 CO 0.02 0.08 -0.80 -0.31 -1.61 0.00 0.00 179.24 176.62 1cf4 s TYR 64 N -2.40 2.68 -0.01 0.28 2.02 -1.26 -5.05 117.35 113.60 1cf4 s TYR 64 Ca -0.04 -0.58 -0.01 0.00 -0.37 0.00 0.00 57.07 56.08 1cf4 s TYR 64 Cb 0.00 -1.72 -0.00 0.00 -0.40 0.00 0.00 41.96 39.84 1cf4 s TYR 64 CO 0.11 -0.13 -0.01 -0.44 -1.57 0.00 0.00 175.55 173.51 1cf4 h ASP 65 N 6.22 0.00 0.02 2.29 5.19 -1.84 -2.00 116.42 126.30 1cf4 h ASP 65 Ca -0.32 0.00 -0.38 0.00 -0.62 0.00 0.00 57.03 55.72 1cf4 h ASP 65 Cb 1.19 0.00 -0.07 0.00 0.18 0.00 0.00 39.33 40.63 1cf4 h ASP 65 CO 0.52 0.06 -2.40 -2.11 -3.12 0.00 0.00 179.24 172.18 1cf4 n ARG 66 N -2.39 0.67 -1.17 3.56 0.00 -1.26 -4.11 116.66 111.96 1cf4 n ARG 66 Ca -0.00 0.08 0.00 0.00 -0.00 0.00 0.00 57.85 57.93 1cf4 n ARG 66 Cb 0.02 -1.53 0.00 0.00 -0.00 0.00 0.00 32.46 30.94 1cf4 n ARG 66 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.63 178.91 1cf4 n LEU 67 N -3.02 -4.18 -0.07 2.89 4.77 -1.26 -4.82 117.00 111.31 1cf4 n LEU 67 Ca -0.39 1.69 -0.17 0.00 -0.03 0.00 0.00 56.01 57.11 1cf4 n LEU 67 Cb 1.07 -1.73 -0.13 0.00 -2.33 0.00 0.00 43.42 40.30 1cf4 n LEU 67 CO 0.35 -0.68 0.08 0.03 -1.33 0.00 0.00 177.39 175.84 1cf4 h ARG 68 N 1.97 0.03 -0.55 3.23 -0.00 -1.99 -3.33 114.38 113.74 1cf4 h ARG 68 Ca 0.00 -0.06 0.07 0.00 -0.50 0.00 0.00 59.98 59.49 1cf4 h ARG 68 Cb 0.00 0.02 -0.10 0.00 0.00 0.00 0.00 29.97 29.89 1cf4 h ARG 68 CO 0.00 1.03 -0.50 -1.35 0.00 0.00 0.00 179.97 179.14 1cf4 h PRO 69 N -0.92 -0.27 -0.99 0.04 0.11 -1.93 1.15 132.00 129.20 1cf4 h PRO 69 Ca -0.12 0.02 0.20 0.00 0.11 0.00 0.00 66.00 66.21 1cf4 h PRO 69 Cb 1.17 0.06 -0.10 0.00 0.11 0.00 0.00 31.00 32.24 1cf4 h PRO 69 CO -0.04 -0.18 0.62 1.37 -0.21 0.00 0.00 178.00 179.56 1cf4 h LEU 70 N -0.28 0.65 0.06 2.35 8.10 -1.91 1.30 115.31 125.59 1cf4 h LEU 70 Ca 0.13 0.08 -0.00 0.00 0.11 0.00 0.00 57.88 58.20 1cf4 h LEU 70 Cb 0.56 -0.03 0.00 0.00 -0.44 0.00 0.00 40.66 40.75 1cf4 h LEU 70 CO -0.68 0.22 -0.03 -1.28 -4.11 0.00 0.00 178.44 172.57 1cf4 h SER 71 N 0.63 -0.07 -2.30 0.17 0.87 -0.83 -3.38 113.55 108.65 1cf4 h SER 71 Ca 0.56 -0.52 -0.65 0.00 -1.23 0.00 0.00 61.79 59.94 1cf4 h SER 71 Cb 1.05 0.02 -0.38 0.00 -0.44 0.00 0.00 62.40 62.65 1cf4 h SER 71 CO -0.32 0.63 -0.17 -1.22 -0.53 0.00 0.00 176.83 175.22 1cf4 n TYR 72 N -4.78 3.63 -2.05 2.24 4.01 0.37 -4.85 117.16 115.73 1cf4 n TYR 72 Ca -0.07 -3.61 -0.43 0.00 -0.16 0.00 0.00 57.90 53.63 1cf4 n TYR 72 Cb 0.29 -0.70 -0.03 0.00 -0.31 0.00 0.00 39.34 38.59 1cf4 n TYR 72 CO 0.00 0.00 0.00 -1.25 -0.46 0.00 0.00 176.86 175.15 1cf4 s PRO 73 N -3.55 3.57 -0.00 -0.72 0.04 0.44 -4.60 135.00 130.18 1cf4 s PRO 73 Ca 0.45 1.56 0.21 0.00 0.04 0.00 0.00 61.00 63.26 1cf4 s PRO 73 Cb 0.23 -4.12 0.60 0.00 0.04 0.00 0.00 34.50 31.25 1cf4 s PRO 73 CO -0.11 -1.57 1.50 0.94 0.04 0.00 0.00 177.00 177.80 1cf4 n GLN 74 N 8.05 2.79 -0.61 4.56 -0.06 -1.26 -4.72 117.38 126.13 1cf4 n GLN 74 Ca 0.21 -2.58 -0.31 0.00 -2.00 0.00 0.00 57.00 52.32 1cf4 n GLN 74 Cb 0.46 -1.53 0.20 0.00 -4.06 0.00 0.00 30.24 25.30 1cf4 n GLN 74 CO 0.00 0.00 0.00 -2.37 -0.20 0.00 0.00 177.06 174.49 1cf4 n THR 75 N 1.46 0.00 0.18 1.69 5.66 -1.26 -4.89 114.28 117.12 1cf4 n THR 75 Ca 0.23 -0.30 0.05 0.00 -3.05 0.00 0.00 64.05 60.98 1cf4 n THR 75 Cb 0.60 -0.82 0.31 0.00 -1.55 0.00 0.00 70.33 68.88 1cf4 n THR 75 CO 0.00 0.00 0.00 -2.24 -3.05 0.00 0.00 175.07 169.78 1cf4 h ASP 76 N -2.23 0.00 -1.27 1.09 2.03 -1.95 -3.44 116.42 110.65 1cf4 h ASP 76 Ca -0.54 0.00 0.13 0.00 -0.73 0.00 0.00 57.03 55.89 1cf4 h ASP 76 Cb 1.33 0.00 -0.21 0.00 -0.83 0.00 0.00 39.33 39.61 1cf4 h ASP 76 CO 0.42 0.38 -0.03 0.54 -1.03 0.00 0.00 179.24 179.52 1cf4 s VAL 77 N -3.56 -0.78 -0.07 4.15 0.11 -1.26 -3.95 120.40 115.04 1cf4 s VAL 77 Ca 0.00 0.00 -0.16 0.00 -2.93 0.00 0.00 61.98 58.89 1cf4 s VAL 77 Cb 0.11 -1.00 -0.05 0.00 -1.53 0.00 0.00 36.38 33.91 1cf4 s VAL 77 CO 0.69 0.00 0.43 0.72 -3.33 0.00 0.00 175.10 173.61 1cf4 s PHE 78 N 2.77 3.61 -0.41 1.54 -0.12 -1.22 -4.52 117.98 119.63 1cf4 s PHE 78 Ca 0.02 0.91 -0.28 0.00 -0.05 0.00 0.00 56.93 57.53 1cf4 s PHE 78 Cb -0.11 -2.41 -0.01 0.00 -0.63 0.00 0.00 43.02 39.86 1cf4 s PHE 78 CO -0.18 0.39 1.68 -1.17 -0.05 0.00 0.00 175.22 175.89 1cf4 s LEU 79 N -0.16 3.48 -0.25 -1.99 2.96 -1.05 -4.09 118.68 117.58 1cf4 s LEU 79 Ca 0.24 0.96 -0.09 0.00 -0.22 0.00 0.00 54.13 55.02 1cf4 s LEU 79 Cb -0.16 -3.33 -0.04 0.00 0.50 0.00 0.00 46.19 43.16 1cf4 s LEU 79 CO 0.11 -1.75 0.11 0.68 -1.32 0.00 0.00 176.35 174.19 1cf4 s VAL 80 N 6.81 4.74 0.33 1.68 -7.23 -1.16 -2.80 120.40 122.78 1cf4 s VAL 80 Ca 0.71 -0.03 0.03 0.00 -1.81 0.00 0.00 61.98 60.89 1cf4 s VAL 80 Cb -0.18 -3.23 -0.05 0.00 0.56 0.00 0.00 36.38 33.48 1cf4 s VAL 80 CO 0.31 0.32 0.07 0.00 -0.31 0.00 0.00 175.10 175.49 1cf4 n PHE 82 N -0.70 -0.38 -3.89 0.00 -1.74 -1.26 -4.34 117.46 105.14 1cf4 n PHE 82 Ca -0.03 -1.15 -0.22 0.00 -0.56 0.00 0.00 57.45 55.49 1cf4 n PHE 82 Cb 0.66 0.13 -0.17 0.00 1.52 0.00 0.00 39.48 41.62 1cf4 n PHE 82 CO 0.00 0.00 0.00 -1.54 -0.56 0.00 0.00 176.76 174.66 1cf4 s SER 83 N -1.96 1.45 1.19 5.98 1.04 -1.26 -4.88 113.70 115.26 1cf4 s SER 83 Ca 0.16 -0.12 -0.15 0.00 0.48 0.00 0.00 55.95 56.32 1cf4 s SER 83 Cb 0.01 -0.48 0.24 0.00 0.10 0.00 0.00 66.02 65.89 1cf4 s SER 83 CO 0.11 -0.15 0.65 0.52 0.98 0.00 0.00 173.24 175.35 1cf4 n VAL 84 N 4.81 0.00 -2.40 5.02 0.31 -1.26 -4.64 118.33 120.17 1cf4 n VAL 84 Ca -0.13 -0.41 -0.03 0.00 -0.01 0.00 0.00 64.34 63.77 1cf4 n VAL 84 Cb 0.50 -0.86 -0.02 0.00 -0.91 0.00 0.00 33.84 32.55 1cf4 n VAL 84 CO 0.00 0.00 0.00 0.52 -1.32 0.00 0.00 176.83 176.03 1cf4 n VAL 85 N -4.90-12.82 -3.71 2.52 0.31 -1.26 -4.87 118.33 93.60 1cf4 n VAL 85 Ca 0.02 2.89 -0.14 0.00 -0.01 0.00 0.00 64.34 67.11 1cf4 n VAL 85 Cb 0.57 -6.19 -0.09 0.00 -0.91 0.00 0.00 33.84 27.22 1cf4 n VAL 85 CO 0.00 0.00 0.00 -0.94 -1.32 0.00 0.00 176.83 174.57 1cf4 s SER 86 N -0.60 -0.42 -0.74 4.52 1.04 -1.26 -4.96 113.70 111.27 1cf4 s SER 86 Ca -0.13 0.70 -0.04 0.00 0.48 0.00 0.00 55.95 56.96 1cf4 s SER 86 Cb 0.01 0.75 0.09 0.00 0.10 0.00 0.00 66.02 66.96 1cf4 s SER 86 CO 0.34 -0.26 2.62 -0.81 0.98 0.00 0.00 173.24 176.11 1cf4 n PRO 87 N 2.31 3.16 -1.23 4.02 -0.04 -1.26 -4.22 135.00 137.75 1cf4 n PRO 87 Ca -0.16 -2.76 0.00 0.00 -0.04 0.00 0.00 63.50 60.54 1cf4 n PRO 87 Cb 0.57 -2.31 0.00 0.00 -0.04 0.00 0.00 33.50 31.72 1cf4 n PRO 87 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 1cf4 n SER 88 N 1.11 -1.47 -0.03 3.54 3.41 -1.26 -4.49 113.62 114.42 1cf4 n SER 88 Ca 0.53 0.00 0.01 0.00 -0.26 0.00 0.00 58.87 59.15 1cf4 n SER 88 Cb 0.45 -0.39 -0.14 0.00 -0.26 0.00 0.00 64.21 63.86 1cf4 n SER 88 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 1cf4 n SER 89 N 1.57 0.24 -0.26 4.04 3.41 -1.26 -4.35 113.62 117.02 1cf4 n SER 89 Ca 0.00 0.10 0.03 0.00 -0.26 0.00 0.00 58.87 58.74 1cf4 n SER 89 Cb 0.22 1.13 0.16 0.00 -0.26 0.00 0.00 64.21 65.45 1cf4 n SER 89 CO 0.00 0.00 0.00 0.15 -0.16 0.00 0.00 175.04 175.03 1cf4 h PHE 90 N 0.00 0.64 0.34 7.33 3.57 -1.93 -0.72 116.94 126.17 1cf4 h PHE 90 Ca -0.24 0.03 -0.01 0.00 3.53 0.00 0.00 57.97 61.28 1cf4 h PHE 90 Cb 1.60 -0.18 -0.02 0.00 2.79 0.00 0.00 35.95 40.14 1cf4 h PHE 90 CO 0.00 0.20 -0.43 0.93 -2.23 0.00 0.00 178.31 176.78 1cf4 h GLU 91 N 0.59 -0.76 -0.85 1.11 5.08 -2.00 -2.40 114.58 115.35 1cf4 h GLU 91 Ca 0.38 0.05 0.12 0.00 -1.00 0.00 0.00 59.36 58.91 1cf4 h GLU 91 Cb 0.45 0.17 -0.08 0.00 0.50 0.00 0.00 28.75 29.79 1cf4 h GLU 91 CO -0.30 -0.51 0.47 -0.91 -1.00 0.00 0.00 179.01 176.76 1cf4 h ASN 92 N -0.79 0.63 -0.15 1.42 2.35 -1.72 -2.65 115.58 114.66 1cf4 h ASN 92 Ca -0.04 0.07 0.02 0.00 -0.55 0.00 0.00 56.30 55.80 1cf4 h ASN 92 Cb 0.71 -0.05 -0.04 0.00 0.05 0.00 0.00 38.32 38.99 1cf4 h ASN 92 CO -0.10 0.32 -0.35 0.58 -1.65 0.00 0.00 177.43 176.23 1cf4 h VAL 93 N 0.73 0.00 -0.68 2.81 2.07 -0.67 1.29 116.25 121.79 1cf4 h VAL 93 Ca 0.43 0.00 0.13 0.00 0.82 0.00 0.00 66.70 68.09 1cf4 h VAL 93 Cb 0.50 0.00 -0.09 0.00 -1.52 0.00 0.00 31.29 30.17 1cf4 h VAL 93 CO -0.30 0.00 0.20 0.50 0.02 0.00 0.00 177.57 177.99 1cf4 h LYS 94 N -0.32 0.31 -0.25 1.57 3.11 -1.19 0.47 116.57 120.27 1cf4 h LYS 94 Ca 0.03 -0.02 0.00 0.00 -2.81 0.00 0.00 60.65 57.85 1cf4 h LYS 94 Cb 0.41 -0.07 0.00 0.00 -1.00 0.00 0.00 32.23 31.57 1cf4 h LYS 94 CO -0.31 0.21 0.00 0.39 -2.81 0.00 0.00 179.45 176.92 1cf4 n GLU 95 N -5.10 1.51 -0.05 1.90 1.02 -0.62 -2.31 120.64 116.98 1cf4 n GLU 95 Ca 0.12 -0.72 -0.07 0.00 -0.02 0.00 0.00 57.16 56.47 1cf4 n GLU 95 Cb 0.39 -1.20 -0.06 0.00 -0.02 0.00 0.00 31.44 30.55 1cf4 n GLU 95 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 1cf4 n LYS 96 N 0.09 1.14 -0.07 3.49 5.02 0.43 -4.58 118.16 123.69 1cf4 n LYS 96 Ca 0.07 0.04 -0.22 0.00 -2.02 0.00 0.00 58.31 56.18 1cf4 n LYS 96 Cb 0.19 -1.23 -0.12 0.00 -0.02 0.00 0.00 35.03 33.85 1cf4 n LYS 96 CO 0.00 0.00 0.00 0.91 -0.52 0.00 0.00 177.40 177.79 1cf4 n TRP 97 N -2.65 0.69 -0.17 2.13 5.03 -0.06 -3.64 117.44 118.78 1cf4 n TRP 97 Ca -0.18 0.18 -0.02 0.00 3.03 0.00 0.00 57.50 60.51 1cf4 n TRP 97 Cb 0.75 -1.08 0.07 0.00 -1.03 0.00 0.00 31.31 30.02 1cf4 n TRP 97 CO 0.00 0.00 0.00 0.28 -0.03 0.00 0.00 177.69 177.94 1cf4 h VAL 98 N -0.26 0.71 0.00 -0.99 2.07 -1.66 0.23 116.25 116.35 1cf4 h VAL 98 Ca -0.50 -0.08 0.00 0.00 0.82 0.00 0.00 66.70 66.94 1cf4 h VAL 98 Cb 1.82 0.44 0.00 0.00 -1.52 0.00 0.00 31.29 32.03 1cf4 h VAL 98 CO -0.08 0.04 0.00 1.55 0.02 0.00 0.00 177.57 179.10 1cf4 h PRO 99 N 0.25 0.00 0.23 1.57 0.13 -1.78 -3.04 132.00 129.36 1cf4 h PRO 99 Ca 0.26 0.00 -0.34 0.00 -0.87 0.00 0.00 66.00 65.05 1cf4 h PRO 99 Cb 0.36 0.00 0.03 0.00 0.13 0.00 0.00 31.00 31.52 1cf4 h PRO 99 CO -0.34 0.00 -1.54 0.93 -0.23 0.00 0.00 178.00 176.82 1cf4 h GLU 100 N 0.00 0.50 0.00 0.86 4.39 -1.34 -2.70 114.58 116.29 1cf4 h GLU 100 Ca 0.00 -0.85 -0.10 0.00 0.34 0.00 0.00 59.36 58.75 1cf4 h GLU 100 Cb 0.88 0.32 -0.01 0.00 -0.10 0.00 0.00 28.75 29.83 1cf4 h GLU 100 CO 0.00 1.41 -0.46 -0.84 -1.16 0.00 0.00 179.01 177.95 1cf4 h ILE 101 N 0.12 1.31 0.04 3.13 3.07 -0.64 -2.79 117.51 121.75 1cf4 h ILE 101 Ca -0.28 -1.60 -0.23 0.00 1.55 0.00 0.00 64.86 64.30 1cf4 h ILE 101 Cb 2.14 1.87 -0.01 0.00 -0.27 0.00 0.00 36.82 40.55 1cf4 h ILE 101 CO 0.25 0.45 -1.02 0.71 -1.05 0.00 0.00 178.15 177.49 1cf4 h THR 102 N 0.00 1.55 0.41 0.16 1.35 -1.61 -1.79 112.91 112.97 1cf4 h THR 102 Ca -0.00 -2.94 -0.02 0.00 -0.55 0.00 0.00 66.41 62.90 1cf4 h THR 102 Cb 0.83 2.70 0.00 0.00 -1.73 0.00 0.00 68.15 69.96 1cf4 h THR 102 CO 0.06 0.85 -0.20 -0.74 -0.25 0.00 0.00 175.52 175.25 1cf4 h HIS 103 N 0.08 -0.51 0.00 4.73 2.76 -1.27 -1.23 115.15 119.71 1cf4 h HIS 103 Ca -0.07 -0.01 -0.05 0.00 -2.20 0.00 0.00 60.37 58.04 1cf4 h HIS 103 Cb 1.71 0.17 -0.01 0.00 1.55 0.00 0.00 27.41 30.83 1cf4 h HIS 103 CO 0.03 -0.23 -0.25 0.45 -1.30 0.00 0.00 177.93 176.63 1cf4 h HIS 104 N -0.71 0.00 -2.38 5.26 3.86 -1.61 -3.39 115.15 116.18 1cf4 h HIS 104 Ca -0.06 0.00 -0.45 0.00 -1.16 0.00 0.00 60.37 58.71 1cf4 h HIS 104 Cb 0.50 0.00 -0.36 0.00 1.06 0.00 0.00 27.41 28.61 1cf4 h HIS 104 CO -0.01 0.25 -0.73 0.00 0.86 0.00 0.00 177.93 178.30 1cf4 n PRO 106 N 4.81 0.82 -2.85 0.00 -0.02 -0.48 -3.68 135.00 133.60 1cf4 n PRO 106 Ca 0.02 0.24 -0.03 0.00 -2.02 0.00 0.00 63.50 61.72 1cf4 n PRO 106 Cb 0.43 -2.15 -0.02 0.00 -0.02 0.00 0.00 33.50 31.74 1cf4 n PRO 106 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11 1cf4 n LYS 107 N 7.44 -2.88 -3.96 -0.52 5.02 -1.26 -5.04 118.16 116.97 1cf4 n LYS 107 Ca 0.42 2.31 -0.11 0.00 -2.02 0.00 0.00 58.31 58.90 1cf4 n LYS 107 Cb 0.14 -2.95 -0.13 0.00 -0.02 0.00 0.00 35.03 32.08 1cf4 n LYS 107 CO 0.00 0.00 0.00 0.99 -0.52 0.00 0.00 177.40 177.87 1cf4 s THR 108 N -0.40 0.13 0.89 -0.18 2.01 -1.24 -5.08 115.64 111.76 1cf4 s THR 108 Ca -0.14 -0.43 -0.11 0.00 0.31 0.00 0.00 61.69 61.33 1cf4 s THR 108 Cb 0.01 -0.18 0.13 0.00 0.01 0.00 0.00 72.50 72.47 1cf4 s THR 108 CO 0.40 -0.19 1.16 -2.84 -0.69 0.00 0.00 174.62 172.45 1cf4 s PRO 109 N -0.66 1.16 -0.15 4.92 0.02 -1.25 -4.97 135.00 134.07 1cf4 s PRO 109 Ca -0.06 1.58 -0.30 0.00 0.02 0.00 0.00 61.00 62.24 1cf4 s PRO 109 Cb -0.05 -1.74 0.10 0.00 0.02 0.00 0.00 34.50 32.84 1cf4 s PRO 109 CO -0.00 -2.54 0.88 -0.59 -0.33 0.00 0.00 177.00 174.42 1cf4 s PHE 110 N -2.57 -0.50 0.20 6.54 -0.12 -1.26 -3.40 117.98 116.87 1cf4 s PHE 110 Ca 0.68 0.93 0.11 0.00 -0.05 0.00 0.00 56.93 58.60 1cf4 s PHE 110 Cb -0.24 0.42 -0.04 0.00 -0.63 0.00 0.00 43.02 42.53 1cf4 s PHE 110 CO 0.57 -0.42 -0.24 -1.17 -0.05 0.00 0.00 175.22 173.91 1cf4 s LEU 111 N -0.89 2.45 0.04 -1.99 0.20 -1.26 -2.78 118.68 114.45 1cf4 s LEU 111 Ca -0.04 -0.88 0.05 0.00 0.69 0.00 0.00 54.13 53.94 1cf4 s LEU 111 Cb -0.01 -1.16 -0.04 0.00 -0.43 0.00 0.00 46.19 44.55 1cf4 s LEU 111 CO 0.03 0.11 -0.08 -0.76 -0.29 0.00 0.00 176.35 175.37 1cf4 s LEU 112 N -2.75 3.11 0.07 -0.68 1.43 -1.24 -3.00 118.68 115.62 1cf4 s LEU 112 Ca 0.22 -0.24 0.05 0.00 -1.03 0.00 0.00 54.13 53.13 1cf4 s LEU 112 Cb -0.08 -1.83 -0.03 0.00 0.03 0.00 0.00 46.19 44.28 1cf4 s LEU 112 CO 0.10 0.24 -0.14 -0.69 0.23 0.00 0.00 176.35 176.09 1cf4 s VAL 113 N -1.08 1.09 -0.22 -1.59 1.01 -1.26 -4.08 120.40 114.27 1cf4 s VAL 113 Ca 0.19 -1.27 0.01 0.00 0.00 0.00 0.00 61.98 60.90 1cf4 s VAL 113 Cb -0.11 -1.05 0.05 0.00 0.00 0.00 0.00 36.38 35.27 1cf4 s VAL 113 CO 0.10 -0.22 -0.08 -0.83 0.00 0.00 0.00 175.10 174.08 1cf4 s GLY 114 N -1.69 1.28 0.09 4.51 0.00 -1.25 -4.53 107.32 105.72 1cf4 s GLY 114 Ca -0.02 -1.27 0.00 0.00 0.00 0.00 0.00 44.72 43.42 1cf4 s GLY 114 CO 0.02 0.81 0.00 -1.30 0.00 0.00 0.00 173.10 172.63 1cf4 n THR 115 N 4.68 0.36 0.26 0.90 -2.24 -1.23 -1.47 114.28 115.54 1cf4 n THR 115 Ca -0.13 0.12 0.16 0.00 -2.27 0.00 0.00 64.05 61.93 1cf4 n THR 115 Cb 0.45 -1.13 0.87 0.00 -2.10 0.00 0.00 70.33 68.42 1cf4 n THR 115 CO 0.00 0.00 0.00 -0.61 -0.57 0.00 0.00 175.07 173.89 1cf4 h GLN 116 N 0.00 0.00 -1.11 -0.78 4.15 -1.90 -2.74 115.11 112.73 1cf4 h GLN 116 Ca 0.00 0.00 0.32 0.00 0.77 0.00 0.00 58.65 59.74 1cf4 h GLN 116 Cb 0.31 0.00 -0.04 0.00 0.21 0.00 0.00 27.48 27.96 1cf4 h GLN 116 CO 0.00 0.00 1.00 -0.84 -1.93 0.00 0.00 178.83 177.06 1cf4 h ILE 117 N 0.00 0.18 -0.31 2.39 -2.65 -1.86 0.70 117.51 115.95 1cf4 h ILE 117 Ca 0.00 0.00 -0.09 0.00 1.03 0.00 0.00 64.86 65.80 1cf4 h ILE 117 Cb 0.13 0.24 -0.02 0.00 -2.05 0.00 0.00 36.82 35.12 1cf4 h ILE 117 CO 0.00 0.00 -0.19 -0.78 0.03 0.00 0.00 178.15 177.21 1cf4 h ASP 118 N 0.00 0.57 -0.01 2.16 3.58 -1.79 -3.01 116.42 117.92 1cf4 h ASP 118 Ca 0.53 -0.18 0.00 0.00 0.42 0.00 0.00 57.03 57.80 1cf4 h ASP 118 Cb 2.53 -0.15 0.00 0.00 1.72 0.00 0.00 39.33 43.43 1cf4 h ASP 118 CO -0.01 0.77 -0.38 0.00 -2.88 0.00 0.00 179.24 176.74 1cf4 n LEU 119 N -4.15 2.17 -0.25 2.28 -0.00 0.23 -4.36 117.00 112.92 1cf4 n LEU 119 Ca 0.00 -0.78 0.17 0.00 -0.00 0.00 0.00 56.01 55.41 1cf4 n LEU 119 Cb 0.38 -0.00 0.47 0.00 -0.00 0.00 0.00 43.42 44.27 1cf4 n LEU 119 CO 0.42 0.39 1.22 0.08 -0.00 0.00 0.00 177.39 179.50 1cf4 h ARG 120 N 2.81 0.47 0.00 1.47 -0.00 -1.17 0.61 114.38 118.57 1cf4 h ARG 120 Ca 0.00 -0.03 -0.01 0.00 -0.00 0.00 0.00 59.98 59.94 1cf4 h ARG 120 Cb 0.79 -0.11 -0.00 0.00 -0.00 0.00 0.00 29.97 30.65 1cf4 h ARG 120 CO 0.00 0.31 -0.05 0.22 -0.00 0.00 0.00 179.97 180.45 1cf4 h ASP 121 N 0.48 0.00 -0.19 0.08 3.58 -1.76 -3.43 116.42 115.18 1cf4 h ASP 121 Ca 0.47 0.00 -0.51 0.00 0.42 0.00 0.00 57.03 57.41 1cf4 h ASP 121 Cb 1.06 0.00 -0.08 0.00 1.72 0.00 0.00 39.33 42.04 1cf4 h ASP 121 CO -0.20 0.05 1.72 -0.67 -2.88 0.00 0.00 179.24 177.27 1cf4 n ASP 122 N -3.63 0.56 0.00 2.28 -0.08 0.21 -4.73 116.55 111.16 1cf4 n ASP 122 Ca -0.02 0.13 0.05 0.00 -1.51 0.00 0.00 54.79 53.43 1cf4 n ASP 122 Cb 0.16 -1.00 0.22 0.00 2.34 0.00 0.00 41.12 42.84 1cf4 n ASP 122 CO 0.00 0.00 0.00 -0.81 0.12 0.00 0.00 177.20 176.51 1cf4 n PRO 123 N 8.51 0.03 0.03 -0.67 -0.04 -1.26 -2.36 135.00 139.24 1cf4 n PRO 123 Ca 0.62 0.30 -0.02 0.00 -0.04 0.00 0.00 63.50 64.36 1cf4 n PRO 123 Cb 0.09 -1.50 -0.01 0.00 -0.04 0.00 0.00 33.50 32.04 1cf4 n PRO 123 CO 0.00 0.00 0.00 1.03 -0.04 0.00 0.00 175.50 176.49 1cf4 h SER 124 N 0.00 -0.08 -0.42 3.54 0.87 -1.96 -2.46 113.55 113.04 1cf4 h SER 124 Ca 0.00 0.00 0.05 0.00 -1.23 0.00 0.00 61.79 60.61 1cf4 h SER 124 Cb 0.15 0.02 -0.05 0.00 -0.44 0.00 0.00 62.40 62.09 1cf4 h SER 124 CO 0.00 0.03 0.15 0.74 -0.53 0.00 0.00 176.83 177.22 1cf4 h THR 125 N -0.28 0.88 -0.99 2.23 2.02 -1.95 -0.51 112.91 114.31 1cf4 h THR 125 Ca -0.01 -0.11 0.27 0.00 0.77 0.00 0.00 66.41 67.33 1cf4 h THR 125 Cb 0.08 0.53 -0.13 0.00 -1.74 0.00 0.00 68.15 66.88 1cf4 h THR 125 CO 0.02 0.06 0.55 -0.29 0.37 0.00 0.00 175.52 176.23 1cf4 h ILE 126 N 0.32 0.43 -0.92 3.11 6.09 -1.60 1.46 117.51 126.41 1cf4 h ILE 126 Ca 0.19 -0.16 0.01 0.00 -1.37 0.00 0.00 64.86 63.54 1cf4 h ILE 126 Cb 0.17 -0.06 -0.05 0.00 0.47 0.00 0.00 36.82 37.36 1cf4 h ILE 126 CO -0.19 0.08 0.60 -0.33 -3.07 0.00 0.00 178.15 175.24 1cf4 h GLU 127 N 0.45 1.21 -0.18 2.19 4.39 -0.59 0.68 114.58 122.73 1cf4 h GLU 127 Ca 0.67 -0.08 -0.11 0.00 0.34 0.00 0.00 59.36 60.18 1cf4 h GLU 127 Cb 1.37 -0.27 -0.01 0.00 -0.10 0.00 0.00 28.75 29.74 1cf4 h GLU 127 CO -0.54 0.80 -0.37 0.87 -1.16 0.00 0.00 179.01 178.62 1cf4 h LYS 128 N 1.24 0.40 -0.54 2.33 6.56 0.20 -2.02 116.57 124.75 1cf4 h LYS 128 Ca 0.34 -0.18 -0.07 0.00 -1.06 0.00 0.00 60.65 59.67 1cf4 h LYS 128 Cb -0.14 -0.01 -0.02 0.00 -0.57 0.00 0.00 32.23 31.49 1cf4 h LYS 128 CO -0.07 0.71 0.06 -0.07 -2.06 0.00 0.00 179.45 178.02 1cf4 h LEU 129 N 0.34 0.84 -1.09 2.94 4.07 0.20 -2.69 115.31 119.92 1cf4 h LEU 129 Ca 0.04 -0.19 0.36 0.00 0.08 0.00 0.00 57.88 58.16 1cf4 h LEU 129 Cb 0.80 -0.22 -0.15 0.00 1.08 0.00 0.00 40.66 42.17 1cf4 h LEU 129 CO 0.06 0.87 0.62 0.00 -1.08 0.00 0.00 178.44 178.91 1cf4 h ALA 130 N 1.23 2.14 -0.06 1.53 0.00 0.10 1.53 119.26 125.73 1cf4 h ALA 130 Ca 0.17 0.19 0.02 0.00 0.00 0.00 0.00 54.91 55.28 1cf4 h ALA 130 Cb 0.41 0.19 -0.00 0.00 0.00 0.00 0.00 17.79 18.39 1cf4 h ALA 130 CO 0.01 -0.78 0.08 0.87 0.00 0.00 0.00 179.25 179.43 1cf4 h LYS 131 N 0.22 0.00 0.00 0.00 1.79 -1.52 -3.28 116.57 113.78 1cf4 h LYS 131 Ca 0.77 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 59.24 1cf4 h LYS 131 Cb 1.93 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 32.58 1cf4 h LYS 131 CO -0.59 0.00 -0.78 0.09 -1.08 0.00 0.00 179.45 177.09 1cf4 n ASN 132 N -3.74 3.79 0.15 0.86 3.02 0.35 -5.06 115.26 114.63 1cf4 n ASN 132 Ca -0.01 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.54 1cf4 n ASN 132 Cb 0.18 0.33 0.00 0.00 -0.61 0.00 0.00 39.78 39.68 1cf4 n ASN 132 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 1cf4 n LYS 133 N -1.76 0.00 -0.95 3.52 4.76 0.44 -4.55 118.16 119.61 1cf4 n LYS 133 Ca 0.00 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.44 1cf4 n LYS 133 Cb 0.39 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 33.58 1cf4 n LYS 133 CO 0.00 0.00 0.00 0.94 -1.37 0.00 0.00 177.40 176.97 1cf4 n GLN 134 N -3.16 0.00 -3.24 1.97 7.27 -0.94 -4.63 117.38 114.64 1cf4 n GLN 134 Ca 0.00 0.20 -0.46 0.00 0.07 0.00 0.00 57.00 56.81 1cf4 n GLN 134 Cb 0.00 -3.26 -0.04 0.00 2.41 0.00 0.00 30.24 29.35 1cf4 n GLN 134 CO 0.00 0.00 0.00 0.15 0.07 0.00 0.00 177.06 177.28 1cf4 s LYS 135 N -0.82 3.22 0.18 3.69 -0.14 -1.26 -4.88 119.74 119.72 1cf4 s LYS 135 Ca 0.00 -1.82 -0.31 0.00 -1.36 0.00 0.00 55.97 52.48 1cf4 s LYS 135 Cb 0.00 -4.37 -0.10 0.00 -1.68 0.00 0.00 37.83 31.68 1cf4 s LYS 135 CO 0.00 -1.41 1.53 -1.25 -0.76 0.00 0.00 175.35 173.46 1cf4 s PRO 136 N 1.56 4.23 -0.69 -1.68 0.04 -1.26 -4.46 135.00 132.74 1cf4 s PRO 136 Ca 0.11 2.34 -0.26 0.00 0.04 0.00 0.00 61.00 63.23 1cf4 s PRO 136 Cb -0.21 -3.15 -0.05 0.00 0.04 0.00 0.00 34.50 31.13 1cf4 s PRO 136 CO -0.00 -0.56 2.01 0.42 0.04 0.00 0.00 177.00 178.91 1cf4 s ILE 137 N 0.89 3.30 0.41 0.56 -1.09 -1.26 -4.86 121.20 119.15 1cf4 s ILE 137 Ca 0.67 -0.01 -0.23 0.00 -2.23 0.00 0.00 60.65 58.86 1cf4 s ILE 137 Cb -0.43 -3.74 -0.09 0.00 -1.58 0.00 0.00 42.46 36.61 1cf4 s ILE 137 CO 0.34 -0.71 1.01 0.42 -1.23 0.00 0.00 174.94 174.76 1cf4 s THR 138 N 10.31 3.96 0.57 2.92 -4.23 -1.26 -4.72 115.64 123.19 1cf4 s THR 138 Ca 0.75 1.41 0.39 0.00 -1.18 0.00 0.00 61.69 63.05 1cf4 s THR 138 Cb -0.12 -3.68 0.57 0.00 1.34 0.00 0.00 72.50 70.61 1cf4 s THR 138 CO 0.14 -0.08 1.58 -0.65 -0.54 0.00 0.00 174.62 175.07 1cf4 h PRO 139 N 2.32 0.00 -0.13 3.99 0.11 -1.96 1.20 132.00 137.54 1cf4 h PRO 139 Ca -0.48 0.00 -0.19 0.00 0.11 0.00 0.00 66.00 65.44 1cf4 h PRO 139 Cb 1.20 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.31 1cf4 h PRO 139 CO 0.62 0.00 -0.69 0.93 -0.21 0.00 0.00 178.00 178.64 1cf4 h GLU 140 N 0.00 0.54 0.38 1.05 5.08 -1.98 -3.06 114.58 116.60 1cf4 h GLU 140 Ca 0.66 -0.42 -0.01 0.00 -1.00 0.00 0.00 59.36 58.60 1cf4 h GLU 140 Cb 2.97 0.08 -0.02 0.00 0.50 0.00 0.00 28.75 32.28 1cf4 h GLU 140 CO -0.01 1.04 -0.42 1.15 -1.00 0.00 0.00 179.01 179.77 1cf4 h THR 141 N 0.38 0.00 -0.96 1.13 2.02 0.11 -2.35 112.91 113.25 1cf4 h THR 141 Ca -0.03 0.00 0.17 0.00 0.77 0.00 0.00 66.41 67.32 1cf4 h THR 141 Cb 1.28 0.00 -0.10 0.00 -1.74 0.00 0.00 68.15 67.59 1cf4 h THR 141 CO 0.13 0.00 0.56 0.00 0.37 0.00 0.00 175.52 176.58 1cf4 h ALA 142 N -1.03 1.52 -0.71 6.16 0.00 -1.65 -0.60 119.26 122.96 1cf4 h ALA 142 Ca -0.05 0.07 0.14 0.00 0.00 0.00 0.00 54.91 55.07 1cf4 h ALA 142 Cb 0.71 -0.08 -0.09 0.00 0.00 0.00 0.00 17.79 18.32 1cf4 h ALA 142 CO -0.07 -0.02 0.23 1.49 0.00 0.00 0.00 179.25 180.88 1cf4 h GLU 143 N 0.76 0.35 -0.07 0.00 4.81 -1.33 0.67 114.58 119.77 1cf4 h GLU 143 Ca 0.53 -0.02 -0.01 0.00 -0.13 0.00 0.00 59.36 59.73 1cf4 h GLU 143 Cb 0.76 -0.08 -0.00 0.00 0.63 0.00 0.00 28.75 30.06 1cf4 h GLU 143 CO -0.36 0.23 0.02 -0.22 -0.73 0.00 0.00 179.01 177.95 1cf4 h LYS 144 N 0.36 0.11 -0.30 1.92 3.64 -0.65 -2.43 116.57 119.22 1cf4 h LYS 144 Ca 0.39 -0.02 -0.00 0.00 -1.27 0.00 0.00 60.65 59.74 1cf4 h LYS 144 Cb 0.60 -0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 32.39 1cf4 h LYS 144 CO -0.42 0.28 0.17 1.25 -2.27 0.00 0.00 179.45 178.45 1cf4 h LEU 145 N -0.08 0.37 -0.70 5.20 6.46 -0.94 0.84 115.31 126.46 1cf4 h LEU 145 Ca 0.02 -0.08 0.14 0.00 -0.12 0.00 0.00 57.88 57.84 1cf4 h LEU 145 Cb 0.21 -0.09 -0.10 0.00 -0.73 0.00 0.00 40.66 39.95 1cf4 h LEU 145 CO -0.00 0.34 0.21 0.00 -0.62 0.00 0.00 178.44 178.37 1cf4 h ALA 146 N 1.04 0.92 0.00 1.25 0.00 0.38 -0.28 119.26 122.57 1cf4 h ALA 146 Ca 0.10 0.14 -0.15 0.00 0.00 0.00 0.00 54.91 55.00 1cf4 h ALA 146 Cb 0.05 0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.97 1cf4 h ALA 146 CO -0.02 -0.28 -0.86 0.00 0.00 0.00 0.00 179.25 178.09 1cf4 h ARG 147 N 0.34 0.00 -0.95 0.00 3.08 -1.13 0.98 114.38 116.69 1cf4 h ARG 147 Ca 0.38 0.00 0.16 0.00 0.07 0.00 0.00 59.98 60.59 1cf4 h ARG 147 Cb 0.60 0.00 -0.08 0.00 0.08 0.00 0.00 29.97 30.57 1cf4 h ARG 147 CO -0.43 0.58 0.60 0.22 -1.07 0.00 0.00 179.97 179.87 1cf4 h ASP 148 N 0.00 0.73 -0.17 7.04 3.58 0.25 -0.82 116.42 127.03 1cf4 h ASP 148 Ca -0.05 0.06 -0.02 0.00 0.42 0.00 0.00 57.03 57.44 1cf4 h ASP 148 Cb 1.55 -0.08 -0.01 0.00 1.72 0.00 0.00 39.33 42.50 1cf4 h ASP 148 CO 0.08 0.34 -0.02 0.18 -2.88 0.00 0.00 179.24 176.93 1cf4 n LEU 149 N -4.62 3.37 -3.93 2.28 7.99 -0.96 -4.98 117.00 116.14 1cf4 n LEU 149 Ca 0.20 -3.15 -0.26 0.00 -0.01 0.00 0.00 56.01 52.79 1cf4 n LEU 149 Cb 0.50 -0.52 -0.01 0.00 -0.11 0.00 0.00 43.42 43.28 1cf4 n LEU 149 CO 0.27 0.77 -0.22 0.29 -1.51 0.00 0.00 177.39 176.98 1cf4 n LYS 150 N -0.90 -2.97 0.00 3.23 4.01 -0.31 -4.93 118.16 116.28 1cf4 n LYS 150 Ca 0.21 0.40 0.00 0.00 -0.51 0.00 0.00 58.31 58.40 1cf4 n LYS 150 Cb 0.82 -4.42 0.00 0.00 -0.51 0.00 0.00 35.03 30.91 1cf4 n LYS 150 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 1cf4 n ALA 151 N -4.40 0.00 0.01 7.82 0.00 0.34 -4.88 120.51 119.40 1cf4 n ALA 151 Ca -0.29 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.15 1cf4 n ALA 151 Cb 0.67 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.12 1cf4 n ALA 151 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1cf4 n VAL 152 N -0.36 0.00 0.00 0.00 0.31 -1.12 -4.16 118.33 113.01 1cf4 n VAL 152 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.33 1cf4 n VAL 152 Cb 0.00 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 32.93 1cf4 n VAL 152 CO 0.00 0.00 0.00 1.17 -1.32 0.00 0.00 176.83 176.68 1cf4 n LYS 153 N -2.32 0.00 -3.64 5.55 4.81 -1.26 -4.87 118.16 116.44 1cf4 n LYS 153 Ca 0.00 0.00 -0.40 0.00 -0.87 0.00 0.00 58.31 57.04 1cf4 n LYS 153 Cb 0.00 0.00 -0.11 0.00 0.02 0.00 0.00 35.03 34.94 1cf4 n LYS 153 CO 0.00 0.00 0.00 -0.47 1.17 0.00 0.00 177.40 178.10 1cf4 s TYR 154 N -0.58 3.28 0.11 5.64 6.14 -1.26 -3.66 117.35 127.03 1cf4 s TYR 154 Ca 0.00 -1.30 0.02 0.00 0.64 0.00 0.00 57.07 56.43 1cf4 s TYR 154 Cb 0.00 -2.60 0.02 0.00 0.42 0.00 0.00 41.96 39.80 1cf4 s TYR 154 CO 0.00 -0.75 0.15 0.28 0.64 0.00 0.00 175.55 175.87 1cf4 n VAL 155 N 4.92 0.00 -3.05 3.14 0.31 -1.26 -4.83 118.33 117.56 1cf4 n VAL 155 Ca -0.11 -0.38 -0.28 0.00 -0.01 0.00 0.00 64.34 63.55 1cf4 n VAL 155 Cb 0.44 -0.84 -0.02 0.00 -0.91 0.00 0.00 33.84 32.51 1cf4 n VAL 155 CO 0.00 0.00 0.00 -1.61 -1.32 0.00 0.00 176.83 173.90 1cf4 s GLU 156 N -2.50 3.64 0.00 5.55 2.02 -1.26 -3.74 118.70 122.40 1cf4 s GLU 156 Ca 0.11 0.14 0.00 0.00 0.02 0.00 0.00 54.97 55.24 1cf4 s GLU 156 Cb -0.01 -2.52 0.00 0.00 0.10 0.00 0.00 34.13 31.70 1cf4 s GLU 156 CO 0.07 0.04 0.00 0.00 0.02 0.00 0.00 175.26 175.39 1cf4 s SER 158 N 0.00 -1.05 -0.15 0.00 0.15 -1.25 -3.49 113.70 107.91 1cf4 s SER 158 Ca 0.00 1.54 0.08 0.00 0.70 0.00 0.00 55.95 58.27 1cf4 s SER 158 Cb 0.00 1.95 0.51 0.00 -1.71 0.00 0.00 66.02 66.77 1cf4 s SER 158 CO 0.00 -0.23 1.28 0.00 1.20 0.00 0.00 173.24 175.50 1cf4 n ALA 159 N 5.05 3.39 0.00 5.45 0.00 -1.26 -1.59 120.51 131.55 1cf4 n ALA 159 Ca -0.15 -1.20 0.00 0.00 0.00 0.00 0.00 53.44 52.09 1cf4 n ALA 159 Cb 0.53 -1.08 0.00 0.00 0.00 0.00 0.00 19.45 18.89 1cf4 n ALA 159 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1cf4 n LEU 160 N 0.37 0.55 -0.00 0.00 4.32 -1.26 -4.74 117.00 116.23 1cf4 n LEU 160 Ca 0.18 0.00 0.05 0.00 -0.02 0.00 0.00 56.01 56.21 1cf4 n LEU 160 Cb 0.85 0.00 -0.07 0.00 -1.62 0.00 0.00 43.42 42.58 1cf4 n LEU 160 CO 0.21 -0.06 -0.38 1.07 -1.22 0.00 0.00 177.39 177.00 1cf4 n THR 161 N -2.23 0.00 -1.76 -5.08 5.66 -1.26 -5.08 114.28 104.53 1cf4 n THR 161 Ca 0.00 -0.24 -0.01 0.00 -3.05 0.00 0.00 64.05 60.75 1cf4 n THR 161 Cb 0.17 0.56 0.00 0.00 -1.55 0.00 0.00 70.33 69.51 1cf4 n THR 161 CO 0.00 0.00 0.00 1.67 -3.05 0.00 0.00 175.07 173.69 1cf4 n GLN 162 N -1.60 -0.62 -2.01 1.09 7.27 -0.62 -4.98 117.38 115.91 1cf4 n GLN 162 Ca -0.00 0.91 -0.31 0.00 0.07 0.00 0.00 57.00 57.67 1cf4 n GLN 162 Cb 0.21 -2.11 0.03 0.00 2.41 0.00 0.00 30.24 30.78 1cf4 n GLN 162 CO 0.00 0.00 0.00 1.63 0.07 0.00 0.00 177.06 178.76 1cf4 n LYS 163 N -0.13 3.16 0.00 3.69 4.76 -1.24 -4.77 118.16 123.63 1cf4 n LYS 163 Ca 0.01 -3.95 0.00 0.00 -2.87 0.00 0.00 58.31 51.50 1cf4 n LYS 163 Cb 0.04 -2.27 0.00 0.00 -1.84 0.00 0.00 35.03 30.96 1cf4 n LYS 163 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1cf4 n GLY 164 N -0.63 2.72 5.05 0.72 0.00 -1.26 -0.42 105.19 111.36 1cf4 n GLY 164 Ca 0.49 -0.66 0.00 0.00 0.00 0.00 0.00 46.02 45.85 1cf4 n GLY 164 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1cf4 n LEU 165 N 0.00 0.00 0.24 0.99 -0.00 -1.26 -3.11 117.00 113.86 1cf4 n LEU 165 Ca 0.00 0.00 0.12 0.00 -0.00 0.00 0.00 56.01 56.13 1cf4 n LEU 165 Cb 0.00 0.00 0.56 0.00 -0.00 0.00 0.00 43.42 43.98 1cf4 n LEU 165 CO 0.00 0.00 0.87 0.07 -0.00 0.00 0.00 177.39 178.33 1cf4 h LYS 166 N 0.00 0.00 0.30 1.96 2.10 -1.94 -2.86 116.57 116.13 1cf4 h LYS 166 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 1cf4 h LYS 166 Cb 0.00 0.00 -0.02 0.00 -0.90 0.00 0.00 32.23 31.31 1cf4 h LYS 166 CO 0.00 0.17 -0.33 -0.97 -2.00 0.00 0.00 179.45 176.32 1cf4 h ASN 167 N 0.00 -0.90 -0.01 7.07 -1.24 -1.82 1.28 115.58 119.96 1cf4 h ASN 167 Ca -0.00 0.08 -0.16 0.00 0.71 0.00 0.00 56.30 56.93 1cf4 h ASN 167 Cb 0.62 0.31 -0.01 0.00 0.73 0.00 0.00 38.32 39.97 1cf4 h ASN 167 CO 0.02 -0.46 -0.55 -0.37 -1.29 0.00 0.00 177.43 174.78 1cf4 h VAL 168 N -0.67 1.32 0.00 2.57 -1.51 -1.70 -2.44 116.25 113.82 1cf4 h VAL 168 Ca -0.01 -1.79 0.00 0.00 -1.23 0.00 0.00 66.70 63.66 1cf4 h VAL 168 Cb 0.62 1.76 0.00 0.00 -2.13 0.00 0.00 31.29 31.53 1cf4 h VAL 168 CO -0.08 0.56 0.00 0.15 -1.23 0.00 0.00 177.57 176.97 1cf4 h PHE 169 N 0.46 0.00 0.11 5.19 3.04 -1.31 -2.65 116.94 121.78 1cf4 h PHE 169 Ca 0.01 0.00 -0.29 0.00 3.98 0.00 0.00 57.97 61.67 1cf4 h PHE 169 Cb 1.11 0.00 -0.01 0.00 2.56 0.00 0.00 35.95 39.61 1cf4 h PHE 169 CO 0.05 0.00 -1.42 0.22 -2.02 0.00 0.00 178.31 175.14 1cf4 h ASP 170 N 0.00 0.35 0.62 0.41 3.58 0.18 -2.69 116.42 118.88 1cf4 h ASP 170 Ca 0.00 -0.45 -0.18 0.00 0.42 0.00 0.00 57.03 56.83 1cf4 h ASP 170 Cb 0.73 -0.11 -0.02 0.00 1.72 0.00 0.00 39.33 41.65 1cf4 h ASP 170 CO 0.00 1.37 -0.79 1.05 -2.88 0.00 0.00 179.24 177.98 1cf4 h GLU 171 N 0.06 0.12 -0.04 0.28 4.11 -1.39 -1.59 114.58 116.13 1cf4 h GLU 171 Ca -0.20 -0.12 -0.05 0.00 0.07 0.00 0.00 59.36 59.06 1cf4 h GLU 171 Cb 1.98 0.03 0.00 0.00 0.50 0.00 0.00 28.75 31.27 1cf4 h GLU 171 CO 0.17 0.85 -0.16 0.00 0.07 0.00 0.00 179.01 179.93 1cf4 h ALA 172 N 1.11 0.07 -0.63 1.06 0.00 -1.57 -3.20 119.26 116.10 1cf4 h ALA 172 Ca -0.02 -0.38 -0.06 0.00 0.00 0.00 0.00 54.91 54.44 1cf4 h ALA 172 Cb 1.39 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 19.14 1cf4 h ALA 172 CO 0.11 0.01 0.14 -0.84 0.00 0.00 0.00 179.25 178.68 1cf4 h ILE 173 N -0.39 1.25 -0.90 0.00 -0.00 -1.53 -2.56 117.51 113.39 1cf4 h ILE 173 Ca -0.01 -0.93 0.19 0.00 -0.00 0.00 0.00 64.86 64.12 1cf4 h ILE 173 Cb 0.81 0.61 -0.07 0.00 -0.00 0.00 0.00 36.82 38.17 1cf4 h ILE 173 CO 0.03 0.35 0.59 0.25 -0.00 0.00 0.00 178.15 179.37 1cf4 h LEU 174 N 0.95 0.45 -1.87 0.16 7.12 -1.33 0.21 115.31 121.01 1cf4 h LEU 174 Ca 0.20 0.04 0.10 0.00 0.13 0.00 0.00 57.88 58.36 1cf4 h LEU 174 Cb 0.35 -0.04 -0.01 0.00 -0.53 0.00 0.00 40.66 40.43 1cf4 h LEU 174 CO 0.00 0.19 0.49 0.00 -0.13 0.00 0.00 178.44 178.99 1cf4 h ALA 175 N 1.61 2.00 0.04 1.25 0.00 -1.45 0.22 119.26 122.95 1cf4 h ALA 175 Ca 0.47 -0.01 -0.36 0.00 0.00 0.00 0.00 54.91 55.00 1cf4 h ALA 175 Cb 1.09 0.03 -0.05 0.00 0.00 0.00 0.00 17.79 18.86 1cf4 h ALA 175 CO -0.19 -0.67 -2.18 0.00 0.00 0.00 0.00 179.25 176.21 1cf4 n ALA 176 N -2.21 1.26 0.24 0.00 0.00 0.72 -4.17 120.51 116.34 1cf4 n ALA 176 Ca 0.06 -0.91 0.11 0.00 0.00 0.00 0.00 53.44 52.70 1cf4 n ALA 176 Cb 0.64 -0.43 0.56 0.00 0.00 0.00 0.00 19.45 20.22 1cf4 n ALA 176 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 1cf4 h LEU 177 N 0.03 0.00 -6.92 0.00 3.38 -0.74 -3.45 115.31 107.61 1cf4 h LEU 177 Ca -0.47 0.00 0.16 0.00 0.09 0.00 0.00 57.88 57.65 1cf4 h LEU 177 Cb 2.02 0.00 -0.29 0.00 0.09 0.00 0.00 40.66 42.48 1cf4 h LEU 177 CO 0.02 0.19 0.50 -0.70 0.09 0.00 0.00 178.44 178.54 1cf4 s GLU 178 N -3.86 0.25 -0.13 1.13 2.56 0.58 -4.94 118.70 114.29 1cf4 s GLU 178 Ca -0.01 0.44 -0.31 0.00 0.00 0.00 0.00 54.97 55.09 1cf4 s GLU 178 Cb 0.11 0.08 -0.09 0.00 2.00 0.00 0.00 34.13 36.23 1cf4 s GLU 178 CO 0.62 -0.06 2.05 -2.30 -0.56 0.00 0.00 175.26 175.01 1cf4 n PRO 179 N 3.63 2.14 0.00 4.30 -0.02 -1.26 -4.19 135.00 139.60 1cf4 n PRO 179 Ca -0.17 0.72 0.00 0.00 -2.02 0.00 0.00 63.50 62.03 1cf4 n PRO 179 Cb 0.57 -2.89 0.00 0.00 -0.02 0.00 0.00 33.50 31.16 1cf4 n PRO 179 CO 0.00 0.00 0.00 -0.35 1.98 0.00 0.00 175.50 177.13 1cf4 n PRO 180 N 7.71 0.19 -3.72 0.52 -0.04 -1.26 -5.09 135.00 133.32 1cf4 n PRO 180 Ca 0.27 0.00 -0.12 0.00 -0.04 0.00 0.00 63.50 63.61 1cf4 n PRO 180 Cb 0.36 0.00 -0.12 0.00 -0.04 0.00 0.00 33.50 33.70 1cf4 n PRO 180 CO 0.00 0.00 0.00 -1.21 -0.04 0.00 0.00 175.50 174.25 1cf4 s GLU 181 N -1.93 0.31 0.00 0.54 2.02 -1.26 -5.17 118.70 113.21 1cf4 s GLU 181 Ca 0.00 0.63 0.00 0.00 0.02 0.00 0.00 54.97 55.62 1cf4 s GLU 181 Cb 0.00 -0.03 0.00 0.00 0.10 0.00 0.00 34.13 34.20 1cf4 s GLU 181 CO 0.00 -0.14 0.00 -0.35 0.02 0.00 0.00 175.26 174.79 1cf4 n PRO 182 N 4.04 0.50 -4.34 0.39 -0.04 -1.26 -5.10 135.00 129.20 1cf4 n PRO 182 Ca -0.23 0.00 -0.17 0.00 -0.04 0.00 0.00 63.50 63.06 1cf4 n PRO 182 Cb 0.55 0.00 -0.10 0.00 -0.04 0.00 0.00 33.50 33.91 1cf4 n PRO 182 CO 0.00 0.00 0.00 0.15 -0.04 0.00 0.00 175.50 175.61 1cf4 s LYS 183 N -1.57 1.47 0.00 0.54 1.02 -1.26 -5.21 119.74 114.73 1cf4 s LYS 183 Ca 0.00 -1.81 0.00 0.00 0.02 0.00 0.00 55.97 54.18 1cf4 s LYS 183 Cb 0.00 -0.30 0.00 0.00 -0.52 0.00 0.00 37.83 37.01 1cf4 s LYS 183 CO 0.00 -0.31 0.00 1.63 -0.92 0.00 0.00 175.35 175.75