#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 -3.48 0.00 2.12 -0.06 -1.26 -4.83 117.38 109.87 1cf4 n GLN 2 Ca 0.00 2.72 0.00 0.00 -2.00 0.00 0.00 57.00 57.72 1cf4 n GLN 2 Cb 0.00 -3.57 0.00 0.00 -4.06 0.00 0.00 30.24 22.61 1cf4 n GLN 2 CO 0.00 0.00 0.00 2.41 -0.20 0.00 0.00 177.06 179.27 1cf4 n THR 3 N -2.87 0.00 -3.90 1.69 -1.04 -1.26 -4.95 114.28 101.95 1cf4 n THR 3 Ca -0.02 0.00 -0.10 0.00 -2.04 0.00 0.00 64.05 61.90 1cf4 n THR 3 Cb 0.46 0.00 -0.09 0.00 -1.82 0.00 0.00 70.33 68.88 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 -2.20 0.13 -0.12 12.58 -0.00 -1.26 -4.62 121.20 125.71 1cf4 s ILE 4 Ca 0.00 -1.07 -0.02 0.00 -0.00 0.00 0.00 60.65 59.56 1cf4 s ILE 4 Cb 0.00 -0.97 0.04 0.00 -0.00 0.00 0.00 42.46 41.53 1cf4 s ILE 4 CO 0.00 -0.59 0.00 -0.54 -0.00 0.00 0.00 174.94 173.81 1cf4 s LYS 5 N -2.78 0.74 0.05 0.37 1.02 -1.26 -4.51 119.74 113.36 1cf4 s LYS 5 Ca -0.03 -0.12 0.01 0.00 0.02 0.00 0.00 55.97 55.84 1cf4 s LYS 5 Cb -0.00 -1.43 -0.03 0.00 -0.52 0.00 0.00 37.83 35.84 1cf4 s LYS 5 CO -0.05 -0.41 -0.05 0.00 -0.92 0.00 0.00 175.35 173.92 1cf4 s VAL 7 N -2.43 1.37 -0.21 0.00 1.01 -1.26 -2.95 120.40 115.93 1cf4 s VAL 7 Ca -0.04 -1.43 -0.26 0.00 0.00 0.00 0.00 61.98 60.25 1cf4 s VAL 7 Cb -0.03 -1.30 -0.01 0.00 0.00 0.00 0.00 36.38 35.05 1cf4 s VAL 7 CO -0.04 -0.17 0.87 0.54 0.00 0.00 0.00 175.10 176.30 1cf4 s VAL 8 N -1.29 4.83 -0.06 2.92 0.11 -1.25 -3.67 120.40 121.99 1cf4 s VAL 8 Ca 0.02 1.68 0.02 0.00 -2.93 0.00 0.00 61.98 60.77 1cf4 s VAL 8 Cb -0.10 -4.16 0.01 0.00 -1.53 0.00 0.00 36.38 30.61 1cf4 s VAL 8 CO 0.03 -0.05 -0.11 0.68 -3.33 0.00 0.00 175.10 172.33 1cf4 s VAL 9 N 2.59 1.01 -1.22 2.04 -7.23 -1.16 -4.94 120.40 111.49 1cf4 s VAL 9 Ca 0.38 -0.41 0.00 0.00 -1.81 0.00 0.00 61.98 60.14 1cf4 s VAL 9 Cb -0.16 -0.94 0.00 0.00 0.56 0.00 0.00 36.38 35.84 1cf4 s VAL 9 CO 0.09 0.33 0.00 0.61 -0.31 0.00 0.00 175.10 175.82 1cf4 n GLY 10 N 3.86 0.49 0.52 2.32 0.00 -1.26 -4.13 105.19 106.98 1cf4 n GLY 10 Ca -0.23 -1.45 0.07 0.00 0.00 0.00 0.00 46.02 44.41 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 1.76 -3.41 1.61 9.92 -1.26 -5.06 116.55 120.12 1cf4 n ASP 11 Ca 0.00 -3.43 -0.17 0.00 -0.53 0.00 0.00 54.79 50.66 1cf4 n ASP 11 Cb 0.00 -0.47 0.10 0.00 -0.64 0.00 0.00 41.12 40.12 1cf4 n ASP 11 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1cf4 n GLY 12 N -1.03 -0.37 0.55 0.44 0.00 -1.25 -4.85 105.19 98.67 1cf4 n GLY 12 Ca 0.16 -1.84 0.10 0.00 0.00 0.00 0.00 46.02 44.44 1cf4 n GLY 12 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1cf4 n ALA 13 N -3.25 2.52 -1.07 4.61 0.00 -1.26 -4.99 120.51 117.06 1cf4 n ALA 13 Ca -0.12 -0.52 0.00 0.00 0.00 0.00 0.00 53.44 52.80 1cf4 n ALA 13 Cb 0.37 -1.08 0.00 0.00 0.00 0.00 0.00 19.45 18.74 1cf4 n ALA 13 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1cf4 n VAL 14 N 0.31 -2.14 0.28 0.00 0.31 -1.26 -3.90 118.33 111.93 1cf4 n VAL 14 Ca 0.16 0.00 0.04 0.00 -0.01 0.00 0.00 64.34 64.52 1cf4 n VAL 14 Cb 0.32 -2.95 0.17 0.00 -0.91 0.00 0.00 33.84 30.47 1cf4 n VAL 14 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1cf4 n GLY 15 N 0.15 -0.73 0.07 2.92 0.00 -1.26 -0.26 105.19 106.08 1cf4 n GLY 15 Ca 0.00 -0.03 -0.12 0.00 0.00 0.00 0.00 46.02 45.87 1cf4 n GLY 15 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1cf4 h LYS 16 N 0.00 -0.02 0.01 1.61 1.79 -1.91 -3.39 116.57 114.66 1cf4 h LYS 16 Ca 0.00 0.00 -0.40 0.00 -2.18 0.00 0.00 60.65 58.07 1cf4 h LYS 16 Cb 0.12 0.01 -0.06 0.00 -1.58 0.00 0.00 32.23 30.72 1cf4 h LYS 16 CO 0.00 0.73 -2.36 0.25 -1.08 0.00 0.00 179.45 176.99 1cf4 n THR 17 N -4.71 1.54 0.00 -0.16 -2.24 -1.13 -4.34 114.28 103.24 1cf4 n THR 17 Ca -0.09 -0.47 0.00 0.00 -2.27 0.00 0.00 64.05 61.22 1cf4 n THR 17 Cb 0.37 -1.67 0.00 0.00 -2.10 0.00 0.00 70.33 66.93 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 0.00 -0.18 -0.30 0.00 4.07 -1.76 -1.86 115.31 115.28 1cf4 h LEU 19 Ca 0.00 0.01 0.04 0.00 0.08 0.00 0.00 57.88 58.01 1cf4 h LEU 19 Cb 0.00 0.06 -0.07 0.00 1.08 0.00 0.00 40.66 41.73 1cf4 h LEU 19 CO 0.00 -0.10 -0.48 -0.07 -1.08 0.00 0.00 178.44 176.72 1cf4 h LEU 20 N -0.15 -1.58 0.00 1.67 3.38 -1.73 0.51 115.31 117.41 1cf4 h LEU 20 Ca -0.01 0.20 0.00 0.00 0.09 0.00 0.00 57.88 58.16 1cf4 h LEU 20 Cb 0.13 0.64 0.00 0.00 0.09 0.00 0.00 40.66 41.52 1cf4 h LEU 20 CO 0.00 -0.36 0.00 -0.38 0.09 0.00 0.00 178.44 177.79 1cf4 n ILE 21 N -5.00 0.00 0.18 1.22 2.08 0.42 -0.26 119.36 118.01 1cf4 n ILE 21 Ca -0.03 1.39 0.17 0.00 0.56 0.00 0.00 62.75 64.84 1cf4 n ILE 21 Cb 0.30 -2.13 0.70 0.00 -0.75 0.00 0.00 39.64 37.76 1cf4 n ILE 21 CO 0.00 0.00 0.00 -1.28 0.56 0.00 0.00 176.55 175.83 1cf4 h SER 22 N 0.00 0.00 0.05 4.38 0.87 -1.26 1.50 113.55 119.08 1cf4 h SER 22 Ca 0.00 0.00 -0.00 0.00 -1.23 0.00 0.00 61.79 60.56 1cf4 h SER 22 Cb 0.00 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 61.96 1cf4 h SER 22 CO 0.00 0.00 -0.02 0.22 -0.53 0.00 0.00 176.83 176.50 1cf4 h TYR 23 N 0.00 -0.06 0.00 2.24 3.20 0.17 -3.39 116.97 119.13 1cf4 h TYR 23 Ca 0.13 -0.00 -0.21 0.00 3.14 0.00 0.00 58.73 61.78 1cf4 h TYR 23 Cb 1.12 0.02 -0.00 0.00 1.54 0.00 0.00 36.73 39.41 1cf4 h TYR 23 CO 0.00 -0.03 -0.91 1.15 -1.64 0.00 0.00 178.16 176.72 1cf4 h THR 24 N -0.21 1.43 -1.25 1.81 2.02 -0.30 -3.46 112.91 112.96 1cf4 h THR 24 Ca -0.01 -2.50 0.00 0.00 0.77 0.00 0.00 66.41 64.67 1cf4 h THR 24 Cb 0.05 2.43 0.00 0.00 -1.74 0.00 0.00 68.15 68.89 1cf4 h THR 24 CO 0.01 0.74 0.00 0.35 0.37 0.00 0.00 175.52 176.99 1cf4 n THR 25 N -3.72 0.00 -2.02 3.16 -2.24 0.51 -5.06 114.28 104.91 1cf4 n THR 25 Ca -0.06 0.00 -0.00 0.00 -2.27 0.00 0.00 64.05 61.72 1cf4 n THR 25 Cb 0.82 -0.98 -0.00 0.00 -2.10 0.00 0.00 70.33 68.07 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 -0.02 -4.43 3.42 2.04 -1.26 -4.71 115.26 110.30 1cf4 n ASN 26 Ca 0.00 -1.49 -0.35 0.00 -0.44 0.00 0.00 54.58 52.29 1cf4 n ASN 26 Cb 0.00 -0.07 -0.13 0.00 -2.53 0.00 0.00 39.78 37.05 1cf4 n ASN 26 CO 0.00 0.00 0.00 -0.54 -0.44 0.00 0.00 177.26 176.28 1cf4 s LYS 27 N 0.00 3.59 0.08 -3.83 1.02 -1.26 -4.90 119.74 114.44 1cf4 s LYS 27 Ca 0.02 -0.53 0.00 0.00 0.02 0.00 0.00 55.97 55.48 1cf4 s LYS 27 Cb 0.02 -3.10 0.00 0.00 -0.52 0.00 0.00 37.83 34.23 1cf4 s LYS 27 CO -0.01 -0.04 0.00 0.34 -0.92 0.00 0.00 175.35 174.72 1cf4 n PHE 28 N 4.40 -2.16 -0.87 3.18 7.35 -1.26 -4.32 117.46 123.77 1cf4 n PHE 28 Ca -0.17 0.23 -0.18 0.00 -0.76 0.00 0.00 57.45 56.57 1cf4 n PHE 28 Cb 0.52 0.96 -0.09 0.00 0.35 0.00 0.00 39.48 41.22 1cf4 n PHE 28 CO 0.00 0.00 0.00 -0.35 -0.76 0.00 0.00 176.76 175.65 1cf4 n PRO 29 N -2.68 2.11 0.00 -7.13 -0.04 -1.26 -4.13 135.00 121.87 1cf4 n PRO 29 Ca 0.00 -1.22 0.00 0.00 -0.04 0.00 0.00 63.50 62.24 1cf4 n PRO 29 Cb 0.00 -2.20 0.00 0.00 -0.04 0.00 0.00 33.50 31.26 1cf4 n PRO 29 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1cf4 n SER 30 N 3.16 0.00 -3.48 3.54 2.88 -1.26 -5.17 113.62 113.29 1cf4 n SER 30 Ca 0.45 0.00 -0.12 0.00 -1.33 0.00 0.00 58.87 57.87 1cf4 n SER 30 Cb 0.48 0.00 -0.03 0.00 -0.75 0.00 0.00 64.21 63.91 1cf4 n SER 30 CO 0.00 0.00 0.00 -1.83 -1.23 0.00 0.00 175.04 171.98 1cf4 s GLU 31 N 0.00 1.20 -0.40 -1.46 -1.05 -1.26 -5.13 118.70 110.60 1cf4 s GLU 31 Ca 0.00 -0.46 0.02 0.00 -0.15 0.00 0.00 54.97 54.38 1cf4 s GLU 31 Cb 0.00 0.55 0.12 0.00 -0.44 0.00 0.00 34.13 34.36 1cf4 s GLU 31 CO 0.00 -0.50 0.19 0.71 0.95 0.00 0.00 175.26 176.61 1cf4 s TYR 32 N -3.51 2.19 -0.16 4.83 2.02 -1.26 -4.80 117.35 116.66 1cf4 s TYR 32 Ca 0.00 -2.38 -0.08 0.00 -0.37 0.00 0.00 57.07 54.24 1cf4 s TYR 32 Cb -0.00 -2.03 -0.07 0.00 -0.40 0.00 0.00 41.96 39.46 1cf4 s TYR 32 CO -0.11 -0.82 -0.21 0.28 -1.57 0.00 0.00 175.55 173.13 1cf4 n VAL 33 N 3.89 0.88 0.24 0.71 0.31 -1.26 -4.58 118.33 118.52 1cf4 n VAL 33 Ca 0.05 -0.22 0.17 0.00 -0.01 0.00 0.00 64.34 64.32 1cf4 n VAL 33 Cb 0.37 -1.72 0.73 0.00 -0.91 0.00 0.00 33.84 32.31 1cf4 n VAL 33 CO 0.00 0.00 0.00 -0.65 -1.32 0.00 0.00 176.83 174.86 1cf4 h PRO 34 N -0.58 0.00 -0.33 5.55 0.11 -1.98 -0.06 132.00 134.71 1cf4 h PRO 34 Ca -0.41 0.00 0.10 0.00 0.11 0.00 0.00 66.00 65.80 1cf4 h PRO 34 Cb 1.36 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.45 1cf4 h PRO 34 CO -0.25 0.00 0.46 1.15 -0.21 0.00 0.00 178.00 179.15 1cf4 h THR 35 N 0.00 0.27 -0.11 -1.15 2.02 -1.98 0.21 112.91 112.17 1cf4 h THR 35 Ca 0.08 0.00 0.03 0.00 0.77 0.00 0.00 66.41 67.29 1cf4 h THR 35 Cb 0.95 0.61 -0.00 0.00 -1.74 0.00 0.00 68.15 67.98 1cf4 h THR 35 CO -0.00 0.00 0.13 1.62 0.37 0.00 0.00 175.52 177.63 1cf4 h VAL 36 N 0.00 0.48 -1.65 3.16 3.04 -1.32 -2.55 116.25 117.41 1cf4 h VAL 36 Ca 0.16 0.00 -0.54 0.00 -1.01 0.00 0.00 66.70 65.31 1cf4 h VAL 36 Cb 1.07 0.90 -0.41 0.00 -2.01 0.00 0.00 31.29 30.84 1cf4 h VAL 36 CO -0.00 0.00 -0.84 0.33 -1.01 0.00 0.00 177.57 176.04 1cf4 n PHE 37 N -3.80 2.82 0.60 3.17 -0.00 0.74 -3.48 117.46 117.52 1cf4 n PHE 37 Ca -0.00 -3.33 0.04 0.00 -0.00 0.00 0.00 57.45 54.16 1cf4 n PHE 37 Cb 0.23 -0.27 0.16 0.00 -0.00 0.00 0.00 39.48 39.60 1cf4 n PHE 37 CO 0.00 0.00 0.00 -3.47 -0.00 0.00 0.00 176.76 173.29 1cf4 n ASP 38 N -0.27 2.36 -1.40 -2.13 2.03 -0.96 -3.98 116.55 112.20 1cf4 n ASP 38 Ca 0.30 -2.18 0.05 0.00 0.52 0.00 0.00 54.79 53.48 1cf4 n ASP 38 Cb 0.63 -0.37 0.26 0.00 -0.72 0.00 0.00 41.12 40.91 1cf4 n ASP 38 CO 0.00 0.00 0.00 -0.46 -1.92 0.00 0.00 177.20 174.82 1cf4 n ASN 39 N 0.40 4.05 -3.10 1.67 0.23 -1.25 -4.63 115.26 112.63 1cf4 n ASN 39 Ca 0.12 -2.59 -0.16 0.00 -0.53 0.00 0.00 54.58 51.41 1cf4 n ASN 39 Cb 0.45 -0.62 0.15 0.00 -2.08 0.00 0.00 39.78 37.68 1cf4 n ASN 39 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1cf4 n TYR 40 N 0.41 -3.04 -4.33 -2.53 0.18 -1.26 -4.96 117.16 101.63 1cf4 n TYR 40 Ca 0.18 -0.44 -0.26 0.00 1.88 0.00 0.00 57.90 59.26 1cf4 n TYR 40 Cb 0.86 -0.64 -0.09 0.00 -0.38 0.00 0.00 39.34 39.09 1cf4 n TYR 40 CO 0.00 0.00 0.00 0.00 -2.08 0.00 0.00 176.86 174.78 1cf4 s ALA 41 N -2.24 3.40 -0.11 -3.48 0.00 -1.26 -4.75 121.76 113.31 1cf4 s ALA 41 Ca 0.35 -2.19 -0.05 0.00 0.00 0.00 0.00 51.96 50.07 1cf4 s ALA 41 Cb -0.06 -0.16 0.05 0.00 0.00 0.00 0.00 23.12 22.95 1cf4 s ALA 41 CO 0.29 -0.14 0.26 0.14 0.00 0.00 0.00 175.76 176.31 1cf4 s VAL 42 N -2.64 -0.06 -0.55 0.00 -7.23 -1.26 -5.12 120.40 103.54 1cf4 s VAL 42 Ca 0.38 0.15 -0.23 0.00 -1.81 0.00 0.00 61.98 60.47 1cf4 s VAL 42 Cb 0.06 -0.40 0.04 0.00 0.56 0.00 0.00 36.38 36.64 1cf4 s VAL 42 CO 0.21 0.06 0.90 0.42 -0.31 0.00 0.00 175.10 176.38 1cf4 s THR 43 N 1.35 4.46 0.28 5.32 -4.23 -1.26 -4.73 115.64 116.83 1cf4 s THR 43 Ca -0.09 0.15 -0.10 0.00 -1.18 0.00 0.00 61.69 60.48 1cf4 s THR 43 Cb -0.10 -4.51 0.04 0.00 1.34 0.00 0.00 72.50 69.27 1cf4 s THR 43 CO -0.09 -1.08 0.55 1.33 -0.54 0.00 0.00 174.62 174.79 1cf4 n VAL 44 N 6.11 0.00 -3.95 2.29 0.24 -1.26 -5.15 118.33 116.61 1cf4 n VAL 44 Ca 0.00 -0.77 -0.31 0.00 -2.04 0.00 0.00 64.34 61.23 1cf4 n VAL 44 Cb 0.47 0.72 -0.15 0.00 -1.47 0.00 0.00 33.84 33.41 1cf4 n VAL 44 CO 0.00 0.00 0.00 -0.32 -2.14 0.00 0.00 176.83 174.37 1cf4 s MET 45 N -2.11 1.58 -1.13 7.34 1.75 -1.26 -3.35 119.30 122.12 1cf4 s MET 45 Ca 0.12 -1.17 -0.21 0.00 -1.25 0.00 0.00 55.69 53.18 1cf4 s MET 45 Cb -0.03 -2.65 0.06 0.00 2.84 0.00 0.00 34.83 35.04 1cf4 s MET 45 CO 0.09 -0.68 1.56 0.42 -0.65 0.00 0.00 175.02 175.76 1cf4 s ILE 46 N 1.31 4.00 0.00 10.11 -1.09 -0.69 -4.70 121.20 130.14 1cf4 s ILE 46 Ca -0.02 -1.21 0.00 0.00 -2.23 0.00 0.00 60.65 57.19 1cf4 s ILE 46 Cb -0.19 -5.11 0.00 0.00 -1.58 0.00 0.00 42.46 35.58 1cf4 s ILE 46 CO -0.08 -1.97 0.00 0.61 -1.23 0.00 0.00 174.94 172.27 1cf4 n GLY 47 N 6.31 0.00 0.00 6.18 0.00 -1.26 -4.38 105.19 112.04 1cf4 n GLY 47 Ca 0.39 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.41 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 0.77 0.91 3.13 -0.02 0.00 -1.26 -4.59 105.19 104.13 1cf4 n GLY 48 Ca 0.00 -0.29 -0.20 0.00 0.00 0.00 0.00 46.02 45.54 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 0.93 -0.63 1.61 -1.05 -1.26 -5.01 118.70 113.29 1cf4 s GLU 49 Ca 0.00 -0.71 -0.25 0.00 -0.15 0.00 0.00 54.97 53.87 1cf4 s GLU 49 Cb 0.00 -0.93 -0.15 0.00 -0.44 0.00 0.00 34.13 32.61 1cf4 s GLU 49 CO 0.00 0.23 1.85 -2.30 0.95 0.00 0.00 175.26 175.99 1cf4 n PRO 50 N 2.02 0.00 -3.64 -4.83 -0.02 -1.26 -4.36 135.00 122.90 1cf4 n PRO 50 Ca -0.18 0.00 -0.05 0.00 -2.02 0.00 0.00 63.50 61.26 1cf4 n PRO 50 Cb 0.55 -1.08 -0.07 0.00 -0.02 0.00 0.00 33.50 32.88 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 5.96 -0.28 0.07 6.00 6.14 -1.21 -4.97 117.35 129.06 1cf4 s TYR 51 Ca 0.95 0.65 0.03 0.00 0.64 0.00 0.00 57.07 59.34 1cf4 s TYR 51 Cb -0.95 0.39 -0.03 0.00 0.42 0.00 0.00 41.96 41.79 1cf4 s TYR 51 CO 0.38 -0.13 -0.09 0.99 0.64 0.00 0.00 175.55 177.33 1cf4 s THR 52 N 0.32 0.79 -0.48 4.34 2.01 -1.26 -1.70 115.64 119.65 1cf4 s THR 52 Ca 0.03 -1.42 -0.29 0.00 0.31 0.00 0.00 61.69 60.32 1cf4 s THR 52 Cb -0.05 -1.08 0.03 0.00 0.01 0.00 0.00 72.50 71.41 1cf4 s THR 52 CO -0.11 -0.48 1.13 -1.48 -0.69 0.00 0.00 174.62 172.98 1cf4 s LEU 53 N -2.10 3.64 -0.32 4.42 2.34 -1.26 -4.96 118.68 120.44 1cf4 s LEU 53 Ca -0.01 0.43 -0.28 0.00 0.06 0.00 0.00 54.13 54.34 1cf4 s LEU 53 Cb -0.06 -3.52 -0.04 0.00 -0.56 0.00 0.00 46.19 42.01 1cf4 s LEU 53 CO -0.00 -1.26 2.11 -0.83 -1.06 0.00 0.00 176.35 175.32 1cf4 s GLY 54 N 2.47 0.40 -0.09 -3.48 0.00 -1.26 -4.90 107.32 100.47 1cf4 s GLY 54 Ca 0.47 0.41 -0.29 0.00 0.00 0.00 0.00 44.72 45.31 1cf4 s GLY 54 CO 0.32 3.69 1.88 1.08 0.00 0.00 0.00 173.10 180.07 1cf4 s LEU 55 N 8.65 4.09 -0.14 0.66 1.02 -1.26 -4.71 118.68 127.00 1cf4 s LEU 55 Ca 0.92 2.20 -0.25 0.00 0.02 0.00 0.00 54.13 57.02 1cf4 s LEU 55 Cb -0.26 -3.53 -0.02 0.00 0.02 0.00 0.00 46.19 42.40 1cf4 s LEU 55 CO 0.32 -1.26 0.81 -0.36 0.02 0.00 0.00 176.35 175.89 1cf4 s PHE 56 N 5.32 3.47 -0.29 0.29 0.08 -1.15 -4.41 117.98 121.28 1cf4 s PHE 56 Ca 0.84 1.28 -0.23 0.00 0.12 0.00 0.00 56.93 58.95 1cf4 s PHE 56 Cb -0.35 -2.98 0.17 0.00 -0.57 0.00 0.00 43.02 39.30 1cf4 s PHE 56 CO 0.35 -0.16 1.27 0.34 -0.10 0.00 0.00 175.22 176.92 1cf4 s ASP 57 N 1.08 -0.19 0.13 1.36 2.15 -1.26 -3.76 116.67 116.18 1cf4 s ASP 57 Ca 0.39 0.35 -0.18 0.00 0.43 0.00 0.00 52.55 53.55 1cf4 s ASP 57 Cb -0.17 0.55 0.04 0.00 -0.30 0.00 0.00 42.92 43.04 1cf4 s ASP 57 CO 0.15 -0.06 0.45 0.28 -0.17 0.00 0.00 175.17 175.81 1cf4 s THR 58 N 0.37 0.05 0.10 1.71 -1.32 -1.26 -3.87 115.64 111.43 1cf4 s THR 58 Ca 0.02 -0.45 0.04 0.00 -1.21 0.00 0.00 61.69 60.10 1cf4 s THR 58 Cb -0.04 -1.13 -0.04 0.00 -1.51 0.00 0.00 72.50 69.78 1cf4 s THR 58 CO -0.12 -0.25 -0.11 0.00 -2.21 0.00 0.00 174.62 171.93 1cf4 s ALA 59 N -3.79 1.20 -0.98 11.08 0.00 -1.23 -4.88 121.76 123.15 1cf4 s ALA 59 Ca 0.03 -1.22 -0.04 0.00 0.00 0.00 0.00 51.96 50.72 1cf4 s ALA 59 Cb 0.01 0.01 0.25 0.00 0.00 0.00 0.00 23.12 23.39 1cf4 s ALA 59 CO -0.12 -0.02 0.93 0.41 0.00 0.00 0.00 175.76 176.96 1cf4 n GLY 60 N 0.51 4.21 0.00 0.00 0.00 -1.26 -3.46 105.19 105.19 1cf4 n GLY 60 Ca -0.16 -2.60 0.00 0.00 0.00 0.00 0.00 46.02 43.26 1cf4 n GLY 60 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 173.32 174.79 1cf4 n LEU 61 N 2.36 0.00 -0.06 0.99 -0.00 -0.77 -4.78 117.00 114.74 1cf4 n LEU 61 Ca 0.23 0.00 -0.03 0.00 -0.00 0.00 0.00 56.01 56.21 1cf4 n LEU 61 Cb 0.38 0.00 -0.15 0.00 -0.00 0.00 0.00 43.42 43.64 1cf4 n LEU 61 CO 0.42 0.00 -0.93 -0.62 -0.00 0.00 0.00 177.39 176.25 1cf4 n GLU 62 N -0.22 0.67 -0.05 1.47 -0.58 -1.26 -4.68 120.64 115.99 1cf4 n GLU 62 Ca 0.00 -0.04 -0.03 0.00 -0.42 0.00 0.00 57.16 56.68 1cf4 n GLU 62 Cb 0.00 -1.56 -0.01 0.00 -0.57 0.00 0.00 31.44 29.30 1cf4 n GLU 62 CO 0.00 0.00 0.00 -0.44 -0.48 0.00 0.00 177.13 176.21 1cf4 h ASP 63 N 0.00 0.00 -3.00 1.62 5.19 -1.93 -3.48 116.42 114.82 1cf4 h ASP 63 Ca -0.34 0.00 -0.61 0.00 -0.62 0.00 0.00 57.03 55.46 1cf4 h ASP 63 Cb 1.79 0.00 -0.05 0.00 0.18 0.00 0.00 39.33 41.26 1cf4 h ASP 63 CO 0.02 0.48 -0.36 -0.31 -3.12 0.00 0.00 179.24 175.96 1cf4 s TYR 64 N -1.78 3.55 -0.14 4.55 1.51 -1.22 -5.04 117.35 118.77 1cf4 s TYR 64 Ca -0.09 0.56 -0.09 0.00 -1.01 0.00 0.00 57.07 56.44 1cf4 s TYR 64 Cb 0.01 -1.99 -0.05 0.00 -0.11 0.00 0.00 41.96 39.82 1cf4 s TYR 64 CO 0.13 0.55 -0.06 0.22 -1.11 0.00 0.00 175.55 175.29 1cf4 h ASP 65 N 3.57 0.00 0.00 2.29 3.58 -1.86 -2.04 116.42 121.96 1cf4 h ASP 65 Ca -0.48 -0.09 -0.38 0.00 0.42 0.00 0.00 57.03 56.49 1cf4 h ASP 65 Cb 1.18 0.00 -0.06 0.00 1.72 0.00 0.00 39.33 42.18 1cf4 h ASP 65 CO 0.69 0.79 -2.18 -2.11 -2.88 0.00 0.00 179.24 173.55 1cf4 n ARG 66 N -4.63 0.58 -1.72 0.28 1.85 -1.26 -4.77 116.66 106.98 1cf4 n ARG 66 Ca -0.08 0.31 -0.00 0.00 -1.00 0.00 0.00 57.85 57.07 1cf4 n ARG 66 Cb 0.26 -1.53 0.00 0.00 -1.05 0.00 0.00 32.46 30.14 1cf4 n ARG 66 CO 0.00 0.00 0.00 -0.11 -0.01 0.00 0.00 177.63 177.51 1cf4 n LEU 67 N -4.30 -3.09 -2.49 2.89 -0.00 -1.26 -4.70 117.00 104.04 1cf4 n LEU 67 Ca -0.47 0.22 -0.20 0.00 -0.00 0.00 0.00 56.01 55.56 1cf4 n LEU 67 Cb 0.81 -1.43 0.01 0.00 -0.00 0.00 0.00 43.42 42.82 1cf4 n LEU 67 CO 0.07 -0.55 0.09 -2.11 -0.00 0.00 0.00 177.39 174.90 1cf4 n ARG 68 N -0.01 2.73 0.12 1.96 1.85 -1.26 -4.83 116.66 117.22 1cf4 n ARG 68 Ca 0.00 -4.07 -0.23 0.00 -1.00 0.00 0.00 57.85 52.56 1cf4 n ARG 68 Cb 0.02 -1.94 -0.14 0.00 -1.05 0.00 0.00 32.46 29.34 1cf4 n ARG 68 CO 0.00 0.00 0.00 -1.00 -0.01 0.00 0.00 177.63 176.62 1cf4 h PRO 69 N 2.65 0.56 -0.00 2.89 0.13 -1.96 -3.25 132.00 133.02 1cf4 h PRO 69 Ca 0.17 -0.86 0.00 0.00 -0.87 0.00 0.00 66.00 64.45 1cf4 h PRO 69 Cb 1.09 0.30 0.00 0.00 0.13 0.00 0.00 31.00 32.52 1cf4 h PRO 69 CO 0.70 1.40 -0.09 1.47 -0.23 0.00 0.00 178.00 181.26 1cf4 n LEU 70 N -3.74 0.13 -0.25 1.56 -0.00 -1.26 -3.63 117.00 109.82 1cf4 n LEU 70 Ca -0.15 0.32 0.19 0.00 -0.00 0.00 0.00 56.01 56.37 1cf4 n LEU 70 Cb 1.05 -0.38 0.51 0.00 -0.00 0.00 0.00 43.42 44.60 1cf4 n LEU 70 CO 0.59 0.03 1.22 -1.28 -0.00 0.00 0.00 177.39 177.95 1cf4 h SER 71 N 0.07 0.42 0.00 1.45 0.87 -1.91 -3.35 113.55 111.09 1cf4 h SER 71 Ca 0.00 0.05 -0.15 0.00 -1.23 0.00 0.00 61.79 60.46 1cf4 h SER 71 Cb 0.44 -0.03 -0.13 0.00 -0.44 0.00 0.00 62.40 62.23 1cf4 h SER 71 CO 0.00 0.16 -0.23 0.00 -0.53 0.00 0.00 176.83 176.23 1cf4 n TYR 72 N -4.52 -1.77 -2.56 2.24 9.36 -1.25 -4.97 117.16 113.69 1cf4 n TYR 72 Ca 0.20 -1.23 -0.39 0.00 3.32 0.00 0.00 57.90 59.80 1cf4 n TYR 72 Cb 0.71 1.33 -0.05 0.00 -0.63 0.00 0.00 39.34 40.70 1cf4 n TYR 72 CO 0.00 0.00 0.00 -1.25 0.22 0.00 0.00 176.86 175.83 1cf4 s PRO 73 N 0.33 4.48 -0.02 2.98 0.04 -1.24 -4.96 135.00 136.61 1cf4 s PRO 73 Ca 0.27 1.62 0.21 0.00 0.04 0.00 0.00 61.00 63.14 1cf4 s PRO 73 Cb 0.23 -2.92 0.63 0.00 0.04 0.00 0.00 34.50 32.48 1cf4 s PRO 73 CO -0.15 0.12 1.53 0.94 0.04 0.00 0.00 177.00 179.47 1cf4 n GLN 74 N 0.69 2.91 -0.81 4.56 -0.06 -1.26 -4.88 117.38 118.51 1cf4 n GLN 74 Ca 0.01 -2.65 -0.35 0.00 -2.00 0.00 0.00 57.00 52.02 1cf4 n GLN 74 Cb 0.47 -1.59 0.11 0.00 -4.06 0.00 0.00 30.24 25.17 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 1.45 0.00 0.06 1.69 5.66 -1.26 -4.92 114.28 116.96 1cf4 n THR 75 Ca 0.24 -0.21 0.06 0.00 -3.05 0.00 0.00 64.05 61.08 1cf4 n THR 75 Cb 0.65 -0.37 -0.06 0.00 -1.55 0.00 0.00 70.33 69.00 1cf4 n THR 75 CO 0.00 0.00 0.00 0.47 -3.05 0.00 0.00 175.07 172.49 1cf4 n ASP 76 N 0.36 0.74 -3.96 1.09 9.92 -1.22 -4.91 116.55 118.57 1cf4 n ASP 76 Ca 0.00 0.30 -0.13 0.00 -0.53 0.00 0.00 54.79 54.44 1cf4 n ASP 76 Cb 0.65 0.52 -0.13 0.00 -0.64 0.00 0.00 41.12 41.52 1cf4 n ASP 76 CO 0.00 0.00 0.00 0.68 0.13 0.00 0.00 177.20 178.01 1cf4 s VAL 77 N -3.18 0.26 -0.19 2.53 -7.23 -1.26 -3.92 120.40 107.41 1cf4 s VAL 77 Ca -0.03 -0.47 -0.01 0.00 -1.81 0.00 0.00 61.98 59.67 1cf4 s VAL 77 Cb 0.10 -0.28 0.01 0.00 0.56 0.00 0.00 36.38 36.76 1cf4 s VAL 77 CO 0.81 -0.14 -0.13 -0.36 -0.31 0.00 0.00 175.10 174.97 1cf4 s PHE 78 N -0.60 2.85 -0.52 2.82 0.40 0.29 -4.23 117.98 118.99 1cf4 s PHE 78 Ca -0.05 -1.27 -0.27 0.00 -0.60 0.00 0.00 56.93 54.74 1cf4 s PHE 78 Cb -0.05 -1.98 0.03 0.00 0.51 0.00 0.00 43.02 41.53 1cf4 s PHE 78 CO -0.00 -0.65 1.07 -1.17 0.70 0.00 0.00 175.22 175.16 1cf4 s LEU 79 N 1.27 3.75 -0.57 -0.37 2.96 -1.24 -3.14 118.68 121.34 1cf4 s LEU 79 Ca 0.03 0.13 -0.08 0.00 -0.22 0.00 0.00 54.13 54.00 1cf4 s LEU 79 Cb -0.14 -3.23 0.15 0.00 0.50 0.00 0.00 46.19 43.47 1cf4 s LEU 79 CO -0.07 -1.27 0.43 0.68 -1.32 0.00 0.00 176.35 174.81 1cf4 s VAL 80 N 4.34 4.22 0.25 1.68 -7.23 -1.16 -2.98 120.40 119.52 1cf4 s VAL 80 Ca 0.41 -2.27 -0.02 0.00 -1.81 0.00 0.00 61.98 58.29 1cf4 s VAL 80 Cb -0.09 -3.74 -0.04 0.00 0.56 0.00 0.00 36.38 33.06 1cf4 s VAL 80 CO 0.27 -0.84 0.46 0.00 -0.31 0.00 0.00 175.10 174.67 1cf4 s PHE 82 N -1.99 -0.74 0.10 0.00 -0.71 -1.26 -3.96 117.98 109.42 1cf4 s PHE 82 Ca 0.40 1.50 -0.26 0.00 -1.04 0.00 0.00 56.93 57.54 1cf4 s PHE 82 Cb -0.11 0.35 -0.06 0.00 -1.21 0.00 0.00 43.02 41.99 1cf4 s PHE 82 CO 0.30 -0.41 0.81 -1.54 -1.34 0.00 0.00 175.22 173.04 1cf4 s SER 83 N 1.66 7.33 0.19 1.98 1.04 -1.26 -4.87 113.70 119.76 1cf4 s SER 83 Ca -0.08 1.58 -0.22 0.00 0.48 0.00 0.00 55.95 57.71 1cf4 s SER 83 Cb -0.08 -2.50 0.11 0.00 0.10 0.00 0.00 66.02 63.65 1cf4 s SER 83 CO -0.14 0.07 1.58 0.58 0.98 0.00 0.00 173.24 176.31 1cf4 h VAL 84 N 3.83 0.14 -1.15 5.02 2.07 -1.87 -3.39 116.25 120.90 1cf4 h VAL 84 Ca -0.45 0.00 -0.69 0.00 0.82 0.00 0.00 66.70 66.38 1cf4 h VAL 84 Cb 1.21 0.14 -0.01 0.00 -1.52 0.00 0.00 31.29 31.11 1cf4 h VAL 84 CO 0.69 0.00 1.27 1.33 0.02 0.00 0.00 177.57 180.89 1cf4 n VAL 85 N -5.43 0.22 -3.67 2.57 0.24 -1.26 -3.05 118.33 107.96 1cf4 n VAL 85 Ca 0.04 -0.18 -0.09 0.00 -2.04 0.00 0.00 64.34 62.07 1cf4 n VAL 85 Cb 0.36 -1.46 -0.10 0.00 -1.47 0.00 0.00 33.84 31.17 1cf4 n VAL 85 CO 0.00 0.00 0.00 -0.44 -2.14 0.00 0.00 176.83 174.25 1cf4 s SER 86 N 6.12 -0.24 -0.98 -1.34 0.01 -1.26 -5.00 113.70 111.01 1cf4 s SER 86 Ca 1.07 0.92 -0.04 0.00 1.31 0.00 0.00 55.95 59.21 1cf4 s SER 86 Cb -0.96 1.14 0.18 0.00 0.21 0.00 0.00 66.02 66.59 1cf4 s SER 86 CO 0.55 -0.22 2.31 -0.81 0.41 0.00 0.00 173.24 175.48 1cf4 n PRO 87 N 5.12 4.01 -0.98 12.44 -0.04 -1.26 -4.30 135.00 149.98 1cf4 n PRO 87 Ca -0.12 -3.46 0.00 0.00 -0.04 0.00 0.00 63.50 59.88 1cf4 n PRO 87 Cb 0.51 -2.43 0.00 0.00 -0.04 0.00 0.00 33.50 31.54 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 0.81 -2.76 -0.05 3.54 3.41 -1.26 -4.43 113.62 112.88 1cf4 n SER 88 Ca 0.55 0.00 -0.04 0.00 -0.26 0.00 0.00 58.87 59.12 1cf4 n SER 88 Cb 0.32 -0.47 -0.15 0.00 -0.26 0.00 0.00 64.21 63.66 1cf4 n SER 88 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 1cf4 n SER 89 N 1.89 0.24 -0.05 4.04 7.64 -1.26 -4.44 113.62 121.67 1cf4 n SER 89 Ca 0.00 0.11 -0.09 0.00 1.01 0.00 0.00 58.87 59.90 1cf4 n SER 89 Cb 0.02 0.94 -0.02 0.00 -1.01 0.00 0.00 64.21 64.14 1cf4 n SER 89 CO 0.00 0.00 0.00 0.15 -3.01 0.00 0.00 175.04 172.18 1cf4 h PHE 90 N 0.00 -0.76 -0.73 1.43 3.57 -1.91 0.86 116.94 119.40 1cf4 h PHE 90 Ca -0.35 0.04 0.15 0.00 3.53 0.00 0.00 57.97 61.35 1cf4 h PHE 90 Cb 1.86 0.37 -0.10 0.00 2.79 0.00 0.00 35.95 40.87 1cf4 h PHE 90 CO 0.00 -0.35 0.21 1.05 -2.23 0.00 0.00 178.31 176.99 1cf4 h GLU 91 N -0.28 0.31 -0.12 1.11 4.11 -2.00 -0.60 114.58 117.12 1cf4 h GLU 91 Ca 0.14 -0.02 -0.11 0.00 0.07 0.00 0.00 59.36 59.43 1cf4 h GLU 91 Cb 0.50 -0.07 0.00 0.00 0.50 0.00 0.00 28.75 29.68 1cf4 h GLU 91 CO -0.42 0.21 -0.37 -0.91 0.07 0.00 0.00 179.01 177.59 1cf4 h ASN 92 N 0.32 0.53 -0.97 3.06 4.21 -1.47 -2.76 115.58 118.51 1cf4 h ASN 92 Ca 0.41 -0.61 0.20 0.00 1.21 0.00 0.00 56.30 57.51 1cf4 h ASN 92 Cb 0.66 -0.15 -0.09 0.00 -1.12 0.00 0.00 38.32 37.62 1cf4 h ASN 92 CO -0.47 1.04 0.62 0.58 -1.29 0.00 0.00 177.43 177.91 1cf4 h VAL 93 N 0.04 0.68 -0.00 2.81 2.07 0.17 1.23 116.25 123.25 1cf4 h VAL 93 Ca -0.01 -0.20 -0.00 0.00 0.82 0.00 0.00 66.70 67.31 1cf4 h VAL 93 Cb 1.00 0.04 0.00 0.00 -1.52 0.00 0.00 31.29 30.81 1cf4 h VAL 93 CO 0.08 0.11 -0.00 0.50 0.02 0.00 0.00 177.57 178.27 1cf4 h LYS 94 N 0.58 0.00 -0.08 1.57 3.64 -1.13 -1.39 116.57 119.77 1cf4 h LYS 94 Ca 0.54 -0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.91 1cf4 h LYS 94 Cb 1.08 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.90 1cf4 h LYS 94 CO -0.29 0.67 0.00 0.39 -2.27 0.00 0.00 179.45 177.95 1cf4 n GLU 95 N -4.77 1.23 -0.03 1.90 -0.58 -0.69 -2.28 120.64 115.43 1cf4 n GLU 95 Ca -0.09 -0.35 -0.02 0.00 -0.42 0.00 0.00 57.16 56.28 1cf4 n GLU 95 Cb 0.33 -1.21 -0.05 0.00 -0.57 0.00 0.00 31.44 29.95 1cf4 n GLU 95 CO 0.00 0.00 0.00 1.17 -0.48 0.00 0.00 177.13 177.82 1cf4 n LYS 96 N -0.33 2.56 -0.11 3.49 0.00 0.42 -4.59 118.16 119.59 1cf4 n LYS 96 Ca 0.09 -0.01 -0.25 0.00 0.00 0.00 0.00 58.31 58.14 1cf4 n LYS 96 Cb 0.12 -1.16 -0.11 0.00 0.00 0.00 0.00 35.03 33.88 1cf4 n LYS 96 CO 0.00 0.00 0.00 0.91 0.00 0.00 0.00 177.40 178.31 1cf4 n TRP 97 N -2.15 0.58 -0.23 5.64 5.03 -0.53 -3.61 117.44 122.17 1cf4 n TRP 97 Ca -0.09 0.24 0.03 0.00 3.03 0.00 0.00 57.50 60.71 1cf4 n TRP 97 Cb 0.62 -1.06 0.13 0.00 -1.03 0.00 0.00 31.31 29.98 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 -0.92 0.46 0.00 -0.99 2.07 -1.65 1.13 116.25 116.35 1cf4 h VAL 98 Ca -0.51 -0.05 0.00 0.00 0.82 0.00 0.00 66.70 66.96 1cf4 h VAL 98 Cb 1.48 0.30 0.00 0.00 -1.52 0.00 0.00 31.29 31.55 1cf4 h VAL 98 CO -0.28 0.03 0.00 1.55 0.02 0.00 0.00 177.57 178.88 1cf4 h PRO 99 N 0.15 0.00 0.04 1.57 0.13 -1.79 -3.10 132.00 129.00 1cf4 h PRO 99 Ca 0.37 0.00 -0.26 0.00 -0.87 0.00 0.00 66.00 65.23 1cf4 h PRO 99 Cb 0.62 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 31.72 1cf4 h PRO 99 CO -0.56 0.00 -1.43 0.93 -0.23 0.00 0.00 178.00 176.72 1cf4 h GLU 100 N 0.00 0.09 0.00 0.86 5.08 -0.79 -3.10 114.58 116.72 1cf4 h GLU 100 Ca 0.00 -0.15 -0.00 0.00 -1.00 0.00 0.00 59.36 58.21 1cf4 h GLU 100 Cb 0.75 0.06 -0.00 0.00 0.50 0.00 0.00 28.75 30.05 1cf4 h GLU 100 CO 0.00 1.07 -0.01 -0.84 -1.00 0.00 0.00 179.01 178.23 1cf4 h ILE 101 N -0.68 0.68 0.22 3.13 3.07 0.11 -2.12 117.51 121.91 1cf4 h ILE 101 Ca -0.36 -0.03 -0.34 0.00 1.55 0.00 0.00 64.86 65.68 1cf4 h ILE 101 Cb 1.52 1.02 0.02 0.00 -0.27 0.00 0.00 36.82 39.11 1cf4 h ILE 101 CO -0.11 0.01 -1.60 0.71 -1.05 0.00 0.00 178.15 176.11 1cf4 h THR 102 N 0.00 1.13 -0.38 0.16 1.35 -1.69 -3.05 112.91 110.43 1cf4 h THR 102 Ca -0.00 -2.63 0.07 0.00 -0.55 0.00 0.00 66.41 63.30 1cf4 h THR 102 Cb 0.02 2.91 -0.06 0.00 -1.73 0.00 0.00 68.15 69.29 1cf4 h THR 102 CO 0.00 0.84 0.02 0.45 -0.25 0.00 0.00 175.52 176.57 1cf4 h HIS 103 N 0.13 0.01 0.00 4.73 3.86 -1.31 -0.16 115.15 122.41 1cf4 h HIS 103 Ca -0.29 0.03 -0.07 0.00 -1.16 0.00 0.00 60.37 58.87 1cf4 h HIS 103 Cb 2.13 0.05 -0.01 0.00 1.06 0.00 0.00 27.41 30.65 1cf4 h HIS 103 CO 0.11 -0.06 -0.34 0.45 0.86 0.00 0.00 177.93 178.95 1cf4 h HIS 104 N 0.12 0.00 -2.45 2.45 3.86 -1.63 -3.39 115.15 114.11 1cf4 h HIS 104 Ca 0.19 0.00 -0.43 0.00 -1.16 0.00 0.00 60.37 58.96 1cf4 h HIS 104 Cb 0.26 0.00 -0.36 0.00 1.06 0.00 0.00 27.41 28.36 1cf4 h HIS 104 CO -0.25 0.34 -0.71 0.00 0.86 0.00 0.00 177.93 178.17 1cf4 n PRO 106 N 5.17 0.15 -2.57 0.00 -0.02 -0.46 -3.48 135.00 133.78 1cf4 n PRO 106 Ca -0.02 -0.01 -0.04 0.00 -2.02 0.00 0.00 63.50 61.40 1cf4 n PRO 106 Cb 0.44 -1.76 -0.03 0.00 -0.02 0.00 0.00 33.50 32.13 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 8.32 -4.38 -4.33 -0.52 4.76 -1.26 -5.05 118.16 115.71 1cf4 n LYS 107 Ca 0.62 3.28 -0.19 0.00 -2.87 0.00 0.00 58.31 59.15 1cf4 n LYS 107 Cb 0.12 -4.53 -0.15 0.00 -1.84 0.00 0.00 35.03 28.63 1cf4 n LYS 107 CO 0.00 0.00 0.00 0.95 -1.37 0.00 0.00 177.40 176.98 1cf4 s THR 108 N -0.58 0.69 0.78 -0.18 -4.23 -1.23 -5.09 115.64 105.81 1cf4 s THR 108 Ca -0.19 -0.32 -0.14 0.00 -1.18 0.00 0.00 61.69 59.85 1cf4 s THR 108 Cb 0.01 -0.61 0.07 0.00 1.34 0.00 0.00 72.50 73.30 1cf4 s THR 108 CO 0.53 0.22 1.22 -2.65 -0.54 0.00 0.00 174.62 173.40 1cf4 n PRO 109 N 3.22 0.36 -3.63 3.99 -0.02 -1.25 -4.78 135.00 132.88 1cf4 n PRO 109 Ca -0.17 0.20 -0.11 0.00 -2.02 0.00 0.00 63.50 61.40 1cf4 n PRO 109 Cb 0.55 -2.46 -0.07 0.00 -0.02 0.00 0.00 33.50 31.50 1cf4 n PRO 109 CO 0.00 0.00 0.00 -0.59 1.98 0.00 0.00 175.50 176.89 1cf4 s PHE 110 N -1.98 -0.57 0.17 6.00 -0.12 -1.25 0.10 117.98 120.33 1cf4 s PHE 110 Ca 0.75 1.37 0.09 0.00 -0.05 0.00 0.00 56.93 59.10 1cf4 s PHE 110 Cb -0.31 0.34 -0.04 0.00 -0.63 0.00 0.00 43.02 42.38 1cf4 s PHE 110 CO 0.49 -0.28 -0.15 -1.17 -0.05 0.00 0.00 175.22 174.06 1cf4 s LEU 111 N 0.22 2.79 0.31 -1.99 0.20 -1.19 -2.94 118.68 116.07 1cf4 s LEU 111 Ca 0.02 -0.64 0.04 0.00 0.69 0.00 0.00 54.13 54.24 1cf4 s LEU 111 Cb -0.05 -1.52 -0.02 0.00 -0.43 0.00 0.00 46.19 44.17 1cf4 s LEU 111 CO -0.04 0.13 0.46 -0.76 -0.29 0.00 0.00 176.35 175.85 1cf4 s LEU 112 N -2.62 4.11 0.00 -0.68 2.01 -1.26 -2.96 118.68 117.28 1cf4 s LEU 112 Ca 0.22 0.13 -0.01 0.00 0.01 0.00 0.00 54.13 54.48 1cf4 s LEU 112 Cb -0.09 -2.97 -0.01 0.00 0.01 0.00 0.00 46.19 43.13 1cf4 s LEU 112 CO 0.13 -0.26 0.01 -0.69 1.01 0.00 0.00 176.35 176.54 1cf4 s VAL 113 N -2.16 0.04 -0.27 -1.59 1.01 -1.26 -4.18 120.40 111.99 1cf4 s VAL 113 Ca 0.39 -0.32 0.03 0.00 0.00 0.00 0.00 61.98 62.08 1cf4 s VAL 113 Cb -0.09 -0.12 0.06 0.00 0.00 0.00 0.00 36.38 36.23 1cf4 s VAL 113 CO 0.32 -0.17 -0.09 -0.83 0.00 0.00 0.00 175.10 174.33 1cf4 s GLY 114 N -0.51 1.66 0.00 4.51 0.00 -0.98 -4.47 107.32 107.53 1cf4 s GLY 114 Ca -0.06 -1.82 0.00 0.00 0.00 0.00 0.00 44.72 42.84 1cf4 s GLY 114 CO -0.00 0.67 0.37 -1.30 0.00 0.00 0.00 173.10 172.84 1cf4 n THR 115 N 4.43 0.11 0.08 0.90 -2.24 -1.23 0.13 114.28 116.46 1cf4 n THR 115 Ca -0.12 -0.16 0.01 0.00 -2.27 0.00 0.00 64.05 61.51 1cf4 n THR 115 Cb 0.42 1.32 0.00 0.00 -2.10 0.00 0.00 70.33 69.97 1cf4 n THR 115 CO 0.00 0.00 0.00 1.67 -0.57 0.00 0.00 175.07 176.17 1cf4 n GLN 116 N -0.05 2.15 -0.19 -0.78 7.27 -1.26 -3.61 117.38 120.91 1cf4 n GLN 116 Ca 0.00 -0.37 0.30 0.00 0.07 0.00 0.00 57.00 57.00 1cf4 n GLN 116 Cb 0.33 -0.86 0.61 0.00 2.41 0.00 0.00 30.24 32.74 1cf4 n GLN 116 CO 0.00 0.00 0.00 -0.84 0.07 0.00 0.00 177.06 176.29 1cf4 h ILE 117 N 0.24 0.16 -0.02 1.69 -2.65 -1.86 1.33 117.51 116.40 1cf4 h ILE 117 Ca 0.00 0.00 -0.16 0.00 1.03 0.00 0.00 64.86 65.73 1cf4 h ILE 117 Cb 0.07 0.24 -0.02 0.00 -2.05 0.00 0.00 36.82 35.07 1cf4 h ILE 117 CO 0.00 0.00 -0.71 -0.78 0.03 0.00 0.00 178.15 176.69 1cf4 h ASP 118 N 0.00 0.14 1.16 2.16 1.82 -1.89 -3.18 116.42 116.62 1cf4 h ASP 118 Ca 0.46 -0.10 -0.09 0.00 -0.39 0.00 0.00 57.03 56.91 1cf4 h ASP 118 Cb 2.40 -0.04 -0.02 0.00 0.68 0.00 0.00 39.33 42.35 1cf4 h ASP 118 CO -0.00 0.81 -0.89 -0.07 -1.61 0.00 0.00 179.24 177.48 1cf4 h LEU 119 N 0.08 0.00 -1.79 2.28 4.07 0.14 -3.32 115.31 116.77 1cf4 h LEU 119 Ca -0.02 0.00 0.19 0.00 0.08 0.00 0.00 57.88 58.13 1cf4 h LEU 119 Cb 1.26 0.00 -0.03 0.00 1.08 0.00 0.00 40.66 42.98 1cf4 h LEU 119 CO 0.10 0.37 0.66 0.08 -1.08 0.00 0.00 178.44 178.57 1cf4 h ARG 120 N 0.00 0.00 0.03 1.13 -0.00 -1.29 0.78 114.38 115.03 1cf4 h ARG 120 Ca -0.06 0.00 -0.27 0.00 -0.00 0.00 0.00 59.98 59.65 1cf4 h ARG 120 Cb 1.34 0.00 -0.03 0.00 -0.00 0.00 0.00 29.97 31.27 1cf4 h ARG 120 CO 0.04 0.00 -1.44 -0.44 -0.00 0.00 0.00 179.97 178.12 1cf4 h ASP 121 N 0.00 0.10 -1.33 0.08 3.32 -1.73 -3.46 116.42 113.40 1cf4 h ASP 121 Ca 0.30 -0.16 -0.59 0.00 0.02 0.00 0.00 57.03 56.60 1cf4 h ASP 121 Cb 1.62 -0.03 -0.01 0.00 0.22 0.00 0.00 39.33 41.12 1cf4 h ASP 121 CO -0.00 1.13 1.51 0.47 -1.72 0.00 0.00 179.24 180.63 1cf4 n ASP 122 N -3.25 2.31 0.00 6.45 9.92 0.27 -4.79 116.55 127.45 1cf4 n ASP 122 Ca -0.12 0.15 0.07 0.00 -0.53 0.00 0.00 54.79 54.36 1cf4 n ASP 122 Cb 1.01 -1.38 0.33 0.00 -0.64 0.00 0.00 41.12 40.45 1cf4 n ASP 122 CO 0.00 0.00 0.00 -0.81 0.13 0.00 0.00 177.20 176.52 1cf4 n PRO 123 N 8.54 0.18 0.02 -0.24 -0.04 -1.26 -2.51 135.00 139.69 1cf4 n PRO 123 Ca 0.40 0.16 -0.01 0.00 -0.04 0.00 0.00 63.50 64.01 1cf4 n PRO 123 Cb 0.33 -1.50 -0.01 0.00 -0.04 0.00 0.00 33.50 32.29 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 -0.07 -0.86 3.54 0.87 -1.93 -2.16 113.55 112.94 1cf4 h SER 124 Ca 0.00 0.00 0.06 0.00 -1.23 0.00 0.00 61.79 60.62 1cf4 h SER 124 Cb 0.13 0.02 -0.05 0.00 -0.44 0.00 0.00 62.40 62.05 1cf4 h SER 124 CO 0.00 0.06 0.56 0.74 -0.53 0.00 0.00 176.83 177.66 1cf4 h THR 125 N -0.30 1.08 -0.51 2.23 2.02 -1.91 -1.03 112.91 114.49 1cf4 h THR 125 Ca -0.01 -0.34 0.07 0.00 0.77 0.00 0.00 66.41 66.90 1cf4 h THR 125 Cb 0.06 -0.00 -0.06 0.00 -1.74 0.00 0.00 68.15 66.41 1cf4 h THR 125 CO 0.01 0.18 0.20 -0.29 0.37 0.00 0.00 175.52 175.99 1cf4 h ILE 126 N 1.00 0.84 -0.71 3.11 6.09 -1.60 0.60 117.51 126.83 1cf4 h ILE 126 Ca 0.36 -0.13 0.09 0.00 -1.37 0.00 0.00 64.86 63.82 1cf4 h ILE 126 Cb 0.16 0.43 -0.05 0.00 0.47 0.00 0.00 36.82 37.83 1cf4 h ILE 126 CO -0.13 0.07 0.47 -0.33 -3.07 0.00 0.00 178.15 175.16 1cf4 h GLU 127 N 0.38 0.59 -0.10 2.19 4.39 -0.50 0.37 114.58 121.91 1cf4 h GLU 127 Ca 0.25 -0.04 -0.06 0.00 0.34 0.00 0.00 59.36 59.85 1cf4 h GLU 127 Cb 0.25 -0.13 -0.01 0.00 -0.10 0.00 0.00 28.75 28.76 1cf4 h GLU 127 CO -0.24 0.39 -0.21 0.87 -1.16 0.00 0.00 179.01 178.66 1cf4 h LYS 128 N 0.61 0.17 -0.10 2.33 6.56 -0.58 -1.75 116.57 123.81 1cf4 h LYS 128 Ca 0.33 -0.05 -0.21 0.00 -1.06 0.00 0.00 60.65 59.66 1cf4 h LYS 128 Cb 0.47 -0.02 0.01 0.00 -0.57 0.00 0.00 32.23 32.12 1cf4 h LYS 128 CO -0.11 0.38 -0.80 -0.07 -2.06 0.00 0.00 179.45 176.79 1cf4 h LEU 129 N 0.16 0.74 -1.21 2.94 3.38 0.29 -3.15 115.31 118.46 1cf4 h LEU 129 Ca 0.03 -0.51 0.35 0.00 0.09 0.00 0.00 57.88 57.84 1cf4 h LEU 129 Cb 0.47 -0.22 -0.13 0.00 0.09 0.00 0.00 40.66 40.87 1cf4 h LEU 129 CO 0.03 1.29 0.68 0.00 0.09 0.00 0.00 178.44 180.52 1cf4 h ALA 130 N 0.69 2.26 -1.20 1.53 0.00 0.11 1.54 119.26 124.19 1cf4 h ALA 130 Ca -0.05 0.14 0.34 0.00 0.00 0.00 0.00 54.91 55.34 1cf4 h ALA 130 Cb 1.41 0.14 -0.07 0.00 0.00 0.00 0.00 17.79 19.27 1cf4 h ALA 130 CO 0.15 -0.83 0.83 0.87 0.00 0.00 0.00 179.25 180.27 1cf4 h LYS 131 N 0.26 0.13 0.00 0.00 6.56 -1.49 -3.02 116.57 119.01 1cf4 h LYS 131 Ca 0.73 -0.01 0.00 0.00 -1.06 0.00 0.00 60.65 60.31 1cf4 h LYS 131 Cb 1.92 -0.03 0.00 0.00 -0.57 0.00 0.00 32.23 33.55 1cf4 h LYS 131 CO -0.48 0.08 -0.84 0.09 -2.06 0.00 0.00 179.45 176.24 1cf4 n ASN 132 N -4.36 4.10 0.00 0.86 5.03 0.17 -5.09 115.26 115.98 1cf4 n ASN 132 Ca 0.28 0.00 0.00 0.00 0.87 0.00 0.00 54.58 55.73 1cf4 n ASN 132 Cb 1.20 0.36 0.00 0.00 -1.02 0.00 0.00 39.78 40.32 1cf4 n ASN 132 CO 0.00 0.00 0.00 0.29 -1.83 0.00 0.00 177.26 175.72 1cf4 n LYS 133 N -1.84 0.00 0.00 3.52 4.76 0.48 -4.64 118.16 120.43 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 0.42 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 33.61 1cf4 n LYS 133 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1cf4 n GLN 134 N 0.00 0.00 -2.03 1.97 10.64 -1.20 -3.88 117.38 122.89 1cf4 n GLN 134 Ca 0.00 0.00 -0.43 0.00 -1.83 0.00 0.00 57.00 54.74 1cf4 n GLN 134 Cb 0.00 0.00 -0.03 0.00 -0.86 0.00 0.00 30.24 29.35 1cf4 n GLN 134 CO 0.00 0.00 0.00 0.15 -1.83 0.00 0.00 177.06 175.38 1cf4 s LYS 135 N 0.00 3.45 -0.20 2.61 -0.14 -1.26 -4.82 119.74 119.37 1cf4 s LYS 135 Ca 0.00 1.47 -0.24 0.00 -1.36 0.00 0.00 55.97 55.84 1cf4 s LYS 135 Cb 0.00 -4.16 -0.01 0.00 -1.68 0.00 0.00 37.83 31.98 1cf4 s LYS 135 CO 0.00 -1.72 0.79 -1.25 -0.76 0.00 0.00 175.35 172.41 1cf4 s PRO 136 N 5.42 4.24 -0.73 -1.68 0.04 -1.26 -4.60 135.00 136.44 1cf4 s PRO 136 Ca 0.78 0.92 -0.25 0.00 0.04 0.00 0.00 61.00 62.48 1cf4 s PRO 136 Cb -0.23 -3.60 -0.15 0.00 0.04 0.00 0.00 34.50 30.56 1cf4 s PRO 136 CO 0.33 -0.38 2.44 -0.89 0.04 0.00 0.00 177.00 178.54 1cf4 n ILE 137 N 4.92 -0.04 -1.61 0.56 2.08 -1.17 -4.89 119.36 119.20 1cf4 n ILE 137 Ca 0.04 -0.53 -0.33 0.00 0.56 0.00 0.00 62.75 62.48 1cf4 n ILE 137 Cb 0.48 -1.82 0.06 0.00 -0.75 0.00 0.00 39.64 37.61 1cf4 n ILE 137 CO 0.00 0.00 0.00 0.42 0.56 0.00 0.00 176.55 177.53 1cf4 s THR 138 N 10.88 3.12 0.59 1.39 -4.23 -1.26 -4.61 115.64 121.51 1cf4 s THR 138 Ca 1.08 0.49 0.29 0.00 -1.18 0.00 0.00 61.69 62.38 1cf4 s THR 138 Cb -0.45 -3.00 0.40 0.00 1.34 0.00 0.00 72.50 70.79 1cf4 s THR 138 CO 0.30 -0.35 1.82 1.55 -0.54 0.00 0.00 174.62 177.40 1cf4 h PRO 139 N -0.24 0.00 0.08 3.99 0.13 -1.95 0.48 132.00 134.49 1cf4 h PRO 139 Ca -0.46 0.00 -0.26 0.00 -0.87 0.00 0.00 66.00 64.40 1cf4 h PRO 139 Cb 1.25 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.37 1cf4 h PRO 139 CO 0.53 0.00 -1.26 0.93 -0.23 0.00 0.00 178.00 177.97 1cf4 h GLU 140 N 0.00 0.17 -0.19 0.86 4.39 -1.99 -3.32 114.58 114.51 1cf4 h GLU 140 Ca 0.28 -0.30 0.03 0.00 0.34 0.00 0.00 59.36 59.71 1cf4 h GLU 140 Cb 1.48 0.11 -0.03 0.00 -0.10 0.00 0.00 28.75 30.21 1cf4 h GLU 140 CO -0.00 1.09 0.03 1.15 -1.16 0.00 0.00 179.01 180.12 1cf4 h THR 141 N 0.05 0.90 -0.63 1.13 2.02 -0.37 -1.30 112.91 114.71 1cf4 h THR 141 Ca -0.13 -0.03 0.13 0.00 0.77 0.00 0.00 66.41 67.15 1cf4 h THR 141 Cb 1.93 0.79 -0.04 0.00 -1.74 0.00 0.00 68.15 69.09 1cf4 h THR 141 CO 0.17 0.02 0.43 0.00 0.37 0.00 0.00 175.52 176.50 1cf4 h ALA 142 N 1.15 2.19 -0.46 6.16 0.00 -1.62 -0.21 119.26 126.46 1cf4 h ALA 142 Ca 0.09 -0.01 -0.12 0.00 0.00 0.00 0.00 54.91 54.87 1cf4 h ALA 142 Cb 0.09 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 17.83 1cf4 h ALA 142 CO -0.13 -0.35 -0.20 0.93 0.00 0.00 0.00 179.25 179.51 1cf4 h GLU 143 N 0.29 0.94 -0.01 0.00 5.08 -1.35 0.29 114.58 119.83 1cf4 h GLU 143 Ca 0.30 -0.40 -0.00 0.00 -1.00 0.00 0.00 59.36 58.26 1cf4 h GLU 143 Cb 0.78 -0.03 -0.00 0.00 0.50 0.00 0.00 28.75 30.00 1cf4 h GLU 143 CO -0.07 1.06 0.00 0.87 -1.00 0.00 0.00 179.01 179.88 1cf4 h LYS 144 N 0.79 0.01 -0.23 2.33 6.56 -0.48 -0.42 116.57 125.12 1cf4 h LYS 144 Ca 0.11 -0.00 -0.14 0.00 -1.06 0.00 0.00 60.65 59.55 1cf4 h LYS 144 Cb 0.77 -0.00 -0.01 0.00 -0.57 0.00 0.00 32.23 32.42 1cf4 h LYS 144 CO 0.06 0.09 -0.45 1.25 -2.06 0.00 0.00 179.45 178.34 1cf4 h LEU 145 N -0.07 0.63 0.78 2.94 6.46 -1.38 -0.92 115.31 123.75 1cf4 h LEU 145 Ca 0.00 -0.30 -0.04 0.00 -0.12 0.00 0.00 57.88 57.43 1cf4 h LEU 145 Cb 0.08 -0.18 0.00 0.00 -0.73 0.00 0.00 40.66 39.84 1cf4 h LEU 145 CO -0.00 0.99 -0.40 0.00 -0.62 0.00 0.00 178.44 178.41 1cf4 h ALA 146 N 1.03 -1.09 0.00 1.25 0.00 -0.21 -2.68 119.26 117.57 1cf4 h ALA 146 Ca 0.03 -0.23 -0.04 0.00 0.00 0.00 0.00 54.91 54.67 1cf4 h ALA 146 Cb 0.97 0.45 -0.01 0.00 0.00 0.00 0.00 17.79 19.20 1cf4 h ALA 146 CO 0.09 -1.12 -0.17 0.00 0.00 0.00 0.00 179.25 178.05 1cf4 h ARG 147 N -1.08 0.00 -1.00 0.00 3.08 -1.12 -0.21 114.38 114.04 1cf4 h ARG 147 Ca -0.11 0.00 0.24 0.00 0.07 0.00 0.00 59.98 60.18 1cf4 h ARG 147 Cb 0.84 0.00 -0.08 0.00 0.08 0.00 0.00 29.97 30.81 1cf4 h ARG 147 CO 0.16 0.17 0.64 0.22 -1.07 0.00 0.00 179.97 180.09 1cf4 h ASP 148 N 0.00 0.46 0.00 7.04 3.58 -0.80 -1.19 116.42 125.51 1cf4 h ASP 148 Ca -0.00 0.07 -0.02 0.00 0.42 0.00 0.00 57.03 57.50 1cf4 h ASP 148 Cb 0.52 -0.01 -0.04 0.00 1.72 0.00 0.00 39.33 41.52 1cf4 h ASP 148 CO 0.02 0.13 -0.32 0.18 -2.88 0.00 0.00 179.24 176.37 1cf4 n LEU 149 N -4.59 1.88 -3.87 2.28 4.77 -1.10 -5.01 117.00 111.36 1cf4 n LEU 149 Ca 0.23 -2.81 -0.39 0.00 -0.03 0.00 0.00 56.01 53.01 1cf4 n LEU 149 Cb 0.80 -0.33 0.03 0.00 -2.33 0.00 0.00 43.42 41.58 1cf4 n LEU 149 CO 0.27 0.79 -0.12 0.29 -1.33 0.00 0.00 177.39 177.29 1cf4 n LYS 150 N -0.90 -0.80 0.00 3.23 5.02 -0.45 -4.94 118.16 119.32 1cf4 n LYS 150 Ca 0.13 0.28 0.00 0.00 -2.02 0.00 0.00 58.31 56.70 1cf4 n LYS 150 Cb 0.72 -3.40 0.00 0.00 -0.02 0.00 0.00 35.03 32.32 1cf4 n LYS 150 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1cf4 n ALA 151 N -4.59 0.00 -0.30 7.82 0.00 -0.14 -4.91 120.51 118.40 1cf4 n ALA 151 Ca -0.10 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.34 1cf4 n ALA 151 Cb 0.58 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.03 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 -0.38 0.00 -3.15 0.00 0.31 -1.15 -4.22 118.33 109.74 1cf4 n VAL 152 Ca 0.00 0.00 0.04 0.00 -0.01 0.00 0.00 64.34 64.37 1cf4 n VAL 152 Cb 0.00 0.00 -0.04 0.00 -0.91 0.00 0.00 33.84 32.89 1cf4 n VAL 152 CO 0.00 0.00 0.00 -0.75 -1.32 0.00 0.00 176.83 174.76 1cf4 s LYS 153 N -0.70 0.01 -0.43 5.55 2.47 -1.26 -4.95 119.74 120.43 1cf4 s LYS 153 Ca 0.00 0.01 -0.22 0.00 -1.56 0.00 0.00 55.97 54.20 1cf4 s LYS 153 Cb 0.00 0.01 0.02 0.00 -1.46 0.00 0.00 37.83 36.40 1cf4 s LYS 153 CO 0.00 -0.00 0.72 -0.47 0.16 0.00 0.00 175.35 175.75 1cf4 s TYR 154 N 2.12 3.04 0.37 4.03 5.04 -1.26 -4.11 117.35 126.58 1cf4 s TYR 154 Ca -0.00 0.13 0.07 0.00 -2.44 0.00 0.00 57.07 54.83 1cf4 s TYR 154 Cb -0.01 -3.47 -0.01 0.00 0.35 0.00 0.00 41.96 38.82 1cf4 s TYR 154 CO -0.15 -0.89 0.47 0.08 -1.34 0.00 0.00 175.55 173.72 1cf4 s VAL 155 N 3.04 3.46 -0.26 3.14 1.01 -1.26 -4.92 120.40 124.62 1cf4 s VAL 155 Ca 0.27 -1.09 -0.07 0.00 0.00 0.00 0.00 61.98 61.09 1cf4 s VAL 155 Cb -0.13 -3.19 -0.02 0.00 0.00 0.00 0.00 36.38 33.04 1cf4 s VAL 155 CO 0.20 -0.09 0.07 -1.83 0.00 0.00 0.00 175.10 173.46 1cf4 s GLU 156 N -4.21 3.55 0.07 2.72 1.03 -1.26 -2.31 118.70 118.29 1cf4 s GLU 156 Ca 0.48 -0.55 0.02 0.00 0.03 0.00 0.00 54.97 54.95 1cf4 s GLU 156 Cb -0.08 -3.33 -0.01 0.00 -0.80 0.00 0.00 34.13 29.91 1cf4 s GLU 156 CO 0.31 -0.24 0.06 0.00 -1.33 0.00 0.00 175.26 174.06 1cf4 s SER 158 N -1.48 -0.93 -0.18 0.00 0.01 -1.25 -3.57 113.70 106.30 1cf4 s SER 158 Ca 0.08 1.47 0.10 0.00 1.31 0.00 0.00 55.95 58.91 1cf4 s SER 158 Cb 0.00 1.50 0.60 0.00 0.21 0.00 0.00 66.02 68.34 1cf4 s SER 158 CO 0.06 -0.23 1.43 0.00 0.41 0.00 0.00 173.24 174.91 1cf4 n ALA 159 N 4.55 3.58 0.00 1.44 0.00 -1.24 -1.60 120.51 127.23 1cf4 n ALA 159 Ca -0.19 -1.44 0.00 0.00 0.00 0.00 0.00 53.44 51.82 1cf4 n ALA 159 Cb 0.57 -1.10 0.00 0.00 0.00 0.00 0.00 19.45 18.91 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 0.42 0.87 -0.00 0.00 4.32 -1.26 -4.88 117.00 116.48 1cf4 n LEU 160 Ca 0.21 0.00 0.04 0.00 -0.02 0.00 0.00 56.01 56.24 1cf4 n LEU 160 Cb 0.97 0.00 -0.05 0.00 -1.62 0.00 0.00 43.42 42.71 1cf4 n LEU 160 CO 0.25 0.04 -0.46 1.07 -1.22 0.00 0.00 177.39 177.07 1cf4 n THR 161 N -2.31 0.00 -1.66 -5.08 5.66 -1.26 -5.08 114.28 104.54 1cf4 n THR 161 Ca 0.00 -0.20 -0.00 0.00 -3.05 0.00 0.00 64.05 60.79 1cf4 n THR 161 Cb 0.25 0.48 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 -1.63 -0.39 -0.69 1.09 0.00 -0.63 -4.99 117.38 110.15 1cf4 n GLN 162 Ca -0.01 0.76 0.03 0.00 -0.00 0.00 0.00 57.00 57.78 1cf4 n GLN 162 Cb 0.18 -1.76 0.27 0.00 0.00 0.00 0.00 30.24 28.92 1cf4 n GLN 162 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.06 178.23 1cf4 n LYS 163 N -0.15 3.10 0.00 3.69 4.81 -1.24 -4.78 118.16 123.60 1cf4 n LYS 163 Ca 0.01 -2.99 0.00 0.00 -0.87 0.00 0.00 58.31 54.45 1cf4 n LYS 163 Cb 0.02 -1.97 0.00 0.00 0.02 0.00 0.00 35.03 33.10 1cf4 n LYS 163 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1cf4 n GLY 164 N -0.44 0.99 0.31 3.14 0.00 -1.26 -3.93 105.19 104.00 1cf4 n GLY 164 Ca 0.29 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.41 1cf4 n GLY 164 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1cf4 h LEU 165 N 0.00 0.40 -1.10 0.99 3.38 -1.86 0.48 115.31 117.60 1cf4 h LEU 165 Ca 0.00 0.13 -0.09 0.00 0.09 0.00 0.00 57.88 58.01 1cf4 h LEU 165 Cb 0.00 0.09 -0.01 0.00 0.09 0.00 0.00 40.66 40.82 1cf4 h LEU 165 CO 0.00 0.09 -0.33 0.07 0.09 0.00 0.00 178.44 178.36 1cf4 h LYS 166 N 0.48 0.21 0.43 1.13 2.10 -1.95 -2.73 116.57 116.24 1cf4 h LYS 166 Ca 0.51 -0.08 -0.02 0.00 -2.00 0.00 0.00 60.65 59.06 1cf4 h LYS 166 Cb 0.88 -0.01 0.00 0.00 -0.90 0.00 0.00 32.23 32.20 1cf4 h LYS 166 CO -0.46 0.52 -0.21 -0.97 -2.00 0.00 0.00 179.45 176.34 1cf4 h ASN 167 N 0.18 -0.49 -0.85 7.07 -0.00 -0.43 0.84 115.58 121.91 1cf4 h ASN 167 Ca 0.02 0.02 0.20 0.00 -0.00 0.00 0.00 56.30 56.54 1cf4 h ASN 167 Cb 0.68 0.13 -0.12 0.00 -0.00 0.00 0.00 38.32 39.01 1cf4 h ASN 167 CO 0.05 -0.35 0.33 1.62 -0.00 0.00 0.00 177.43 179.08 1cf4 h VAL 168 N -0.58 0.51 0.00 2.57 3.04 -1.44 1.09 116.25 121.43 1cf4 h VAL 168 Ca -0.06 -0.13 -0.07 0.00 -1.01 0.00 0.00 66.70 65.43 1cf4 h VAL 168 Cb 0.44 0.09 -0.01 0.00 -2.01 0.00 0.00 31.29 29.80 1cf4 h VAL 168 CO 0.10 0.07 -0.33 0.15 -1.01 0.00 0.00 177.57 176.55 1cf4 h PHE 169 N 0.38 0.00 0.00 3.17 3.57 -1.36 -2.01 116.94 120.69 1cf4 h PHE 169 Ca 0.51 0.00 -0.02 0.00 3.53 0.00 0.00 57.97 61.99 1cf4 h PHE 169 Cb 0.92 0.00 -0.00 0.00 2.79 0.00 0.00 35.95 39.66 1cf4 h PHE 169 CO -0.18 0.33 -0.08 0.22 -2.23 0.00 0.00 178.31 176.37 1cf4 h ASP 170 N 0.00 0.00 0.15 0.41 1.82 0.85 -1.55 116.42 118.09 1cf4 h ASP 170 Ca -0.00 0.00 -0.30 0.00 -0.39 0.00 0.00 57.03 56.34 1cf4 h ASP 170 Cb 0.72 0.00 0.03 0.00 0.68 0.00 0.00 39.33 40.76 1cf4 h ASP 170 CO 0.04 0.08 -1.25 -0.33 -1.61 0.00 0.00 179.24 176.17 1cf4 h GLU 171 N 0.00 0.61 -0.37 0.28 4.39 -0.75 -1.31 114.58 117.43 1cf4 h GLU 171 Ca -0.00 -0.82 0.06 0.00 0.34 0.00 0.00 59.36 58.93 1cf4 h GLU 171 Cb 0.14 0.27 -0.05 0.00 -0.10 0.00 0.00 28.75 29.01 1cf4 h GLU 171 CO 0.01 1.38 0.07 0.00 -1.16 0.00 0.00 179.01 179.30 1cf4 h ALA 172 N 0.30 0.39 -0.04 3.43 0.00 -1.04 -1.90 119.26 120.41 1cf4 h ALA 172 Ca -0.19 0.08 -0.18 0.00 0.00 0.00 0.00 54.91 54.61 1cf4 h ALA 172 Cb 1.92 0.10 -0.01 0.00 0.00 0.00 0.00 17.79 19.81 1cf4 h ALA 172 CO 0.24 -0.34 -0.78 -0.84 0.00 0.00 0.00 179.25 177.53 1cf4 h ILE 173 N 0.19 1.43 0.01 0.00 -0.00 -1.44 -3.19 117.51 114.50 1cf4 h ILE 173 Ca 0.18 -2.32 0.00 0.00 -0.00 0.00 0.00 64.86 62.72 1cf4 h ILE 173 Cb 0.21 2.26 -0.01 0.00 -0.00 0.00 0.00 36.82 39.28 1cf4 h ILE 173 CO -0.24 0.69 -0.07 0.25 -0.00 0.00 0.00 178.15 178.78 1cf4 h LEU 174 N 0.18 -0.21 -2.13 0.16 5.85 -0.47 1.27 115.31 119.96 1cf4 h LEU 174 Ca -0.04 0.02 0.03 0.00 0.84 0.00 0.00 57.88 58.74 1cf4 h LEU 174 Cb 1.37 0.08 -0.00 0.00 0.37 0.00 0.00 40.66 42.47 1cf4 h LEU 174 CO 0.13 -0.07 0.30 0.00 -0.34 0.00 0.00 178.44 178.46 1cf4 h ALA 175 N -1.39 1.53 0.10 1.25 0.00 -1.50 -0.16 119.26 119.08 1cf4 h ALA 175 Ca 0.00 -0.00 -0.17 0.00 0.00 0.00 0.00 54.91 54.74 1cf4 h ALA 175 Cb 0.09 0.01 0.01 0.00 0.00 0.00 0.00 17.79 17.90 1cf4 h ALA 175 CO -0.04 -0.36 -0.80 0.00 0.00 0.00 0.00 179.25 178.05 1cf4 h ALA 176 N 1.50 0.00 0.00 0.00 0.00 -1.04 -3.32 119.26 116.40 1cf4 h ALA 176 Ca 0.05 -0.77 -0.05 0.00 0.00 0.00 0.00 54.91 54.15 1cf4 h ALA 176 Cb 0.66 0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.64 1cf4 h ALA 176 CO -0.00 0.41 -0.21 -0.07 0.00 0.00 0.00 179.25 179.38 1cf4 h LEU 177 N -0.53 0.00 -7.02 0.00 3.38 0.29 -3.45 115.31 107.97 1cf4 h LEU 177 Ca -0.16 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 57.76 1cf4 h LEU 177 Cb 1.51 0.00 -0.18 0.00 0.09 0.00 0.00 40.66 42.08 1cf4 h LEU 177 CO 0.08 0.21 0.17 -0.70 0.09 0.00 0.00 178.44 178.30 1cf4 s GLU 178 N -3.90 1.08 0.30 1.13 -6.30 -0.20 -4.91 118.70 105.89 1cf4 s GLU 178 Ca -0.01 0.12 -0.29 0.00 -2.50 0.00 0.00 54.97 52.30 1cf4 s GLU 178 Cb 0.12 0.51 -0.13 0.00 0.00 0.00 0.00 34.13 34.62 1cf4 s GLU 178 CO 0.63 -0.36 1.19 -2.30 0.02 0.00 0.00 175.26 174.44 1cf4 n PRO 179 N 0.71 1.77 0.00 4.30 -0.02 -1.26 -3.79 135.00 136.72 1cf4 n PRO 179 Ca -0.19 0.62 0.00 0.00 -2.02 0.00 0.00 63.50 61.91 1cf4 n PRO 179 Cb 0.58 -2.13 0.00 0.00 -0.02 0.00 0.00 33.50 31.94 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 0.86 -0.20 -3.46 0.52 -0.04 -1.26 -4.90 135.00 126.52 1cf4 n PRO 180 Ca 0.08 0.00 -0.24 0.00 -0.04 0.00 0.00 63.50 63.30 1cf4 n PRO 180 Cb 0.33 0.00 -0.12 0.00 -0.04 0.00 0.00 33.50 33.67 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 -2.61 0.35 0.00 0.54 2.02 -1.26 -5.13 118.70 112.61 1cf4 s GLU 181 Ca 0.00 -0.60 0.00 0.00 0.02 0.00 0.00 54.97 54.39 1cf4 s GLU 181 Cb 0.00 -0.97 0.00 0.00 0.10 0.00 0.00 34.13 33.26 1cf4 s GLU 181 CO 0.00 -1.08 0.00 -0.35 0.02 0.00 0.00 175.26 173.85 1cf4 n PRO 182 N 4.92 0.25 -4.12 0.39 -0.04 -1.26 -5.06 135.00 130.09 1cf4 n PRO 182 Ca 0.01 0.00 -0.34 0.00 -0.04 0.00 0.00 63.50 63.13 1cf4 n PRO 182 Cb 0.43 0.00 -0.15 0.00 -0.04 0.00 0.00 33.50 33.74 1cf4 n PRO 182 CO 0.00 0.00 0.00 -1.59 -0.04 0.00 0.00 175.50 173.87 1cf4 s LYS 183 N -1.50 3.18 0.00 0.54 -2.85 -1.26 -5.27 119.74 112.58 1cf4 s LYS 183 Ca 0.00 -0.74 0.00 0.00 -1.00 0.00 0.00 55.97 54.23 1cf4 s LYS 183 Cb 0.00 -2.74 0.00 0.00 -2.06 0.00 0.00 37.83 33.03 1cf4 s LYS 183 CO 0.00 -0.16 0.47 1.63 0.10 0.00 0.00 175.35 177.39