#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1cf4 s GLN 2 N 0.00 3.51 0.22 2.12 -0.21 -1.26 -4.98 119.66 119.05 1cf4 s GLN 2 Ca 0.00 -0.59 0.06 0.00 0.02 0.00 0.00 55.36 54.84 1cf4 s GLN 2 Cb 0.00 -2.87 -0.04 0.00 1.00 0.00 0.00 33.01 31.10 1cf4 s GLN 2 CO 0.00 0.11 0.22 0.99 -2.12 0.00 0.00 175.29 174.48 1cf4 s THR 3 N 0.69 4.69 0.14 -0.19 2.01 -1.26 -4.97 115.64 116.74 1cf4 s THR 3 Ca -0.03 -1.18 -0.18 0.00 0.31 0.00 0.00 61.69 60.61 1cf4 s THR 3 Cb -0.15 -3.49 0.04 0.00 0.01 0.00 0.00 72.50 68.92 1cf4 s THR 3 CO 0.02 -0.26 0.45 0.27 -0.69 0.00 0.00 174.62 174.42 1cf4 s ILE 4 N -1.97 0.05 -0.00 1.82 -0.00 -1.26 -4.82 121.20 115.01 1cf4 s ILE 4 Ca 0.33 -0.46 0.02 0.00 -0.00 0.00 0.00 60.65 60.54 1cf4 s ILE 4 Cb -0.09 -1.16 -0.01 0.00 -0.00 0.00 0.00 42.46 41.21 1cf4 s ILE 4 CO 0.26 -0.23 -0.08 -1.59 -0.00 0.00 0.00 174.94 173.30 1cf4 s LYS 5 N -3.80 0.63 -0.04 0.37 0.00 -1.26 -4.73 119.74 110.91 1cf4 s LYS 5 Ca 0.03 -0.30 -0.01 0.00 0.00 0.00 0.00 55.97 55.69 1cf4 s LYS 5 Cb 0.01 -0.60 0.03 0.00 0.00 0.00 0.00 37.83 37.27 1cf4 s LYS 5 CO -0.12 0.16 0.02 0.00 0.00 0.00 0.00 175.35 175.42 1cf4 s VAL 7 N 1.60 3.07 -0.39 0.00 1.01 -1.26 -4.71 120.40 119.73 1cf4 s VAL 7 Ca -0.02 -0.70 -0.25 0.00 0.00 0.00 0.00 61.98 61.01 1cf4 s VAL 7 Cb -0.13 -2.23 0.02 0.00 0.00 0.00 0.00 36.38 34.04 1cf4 s VAL 7 CO -0.03 0.57 0.90 0.54 0.00 0.00 0.00 175.10 177.08 1cf4 s VAL 8 N -0.36 4.59 -0.12 2.92 0.11 -1.26 -3.04 120.40 123.24 1cf4 s VAL 8 Ca 0.04 1.05 0.02 0.00 -2.93 0.00 0.00 61.98 60.16 1cf4 s VAL 8 Cb -0.12 -4.33 -0.01 0.00 -1.53 0.00 0.00 36.38 30.39 1cf4 s VAL 8 CO 0.02 -0.58 -0.20 0.54 -3.33 0.00 0.00 175.10 171.56 1cf4 s VAL 9 N 3.46 2.45 -3.39 2.04 0.11 -0.95 -4.87 120.40 119.26 1cf4 s VAL 9 Ca 0.37 -0.88 0.00 0.00 -2.93 0.00 0.00 61.98 58.54 1cf4 s VAL 9 Cb -0.12 -1.98 0.00 0.00 -1.53 0.00 0.00 36.38 32.75 1cf4 s VAL 9 CO 0.20 0.54 0.00 0.61 -3.33 0.00 0.00 175.10 173.12 1cf4 n GLY 10 N 3.57 0.84 1.49 6.54 0.00 -1.26 -4.09 105.19 112.27 1cf4 n GLY 10 Ca -0.19 -2.01 0.01 0.00 0.00 0.00 0.00 46.02 43.83 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 0.07 3.97 -4.83 1.61 8.00 -1.25 -4.95 116.55 119.17 1cf4 n ASP 11 Ca 0.00 -2.69 -0.31 0.00 0.71 0.00 0.00 54.79 52.50 1cf4 n ASP 11 Cb 0.00 -0.64 0.04 0.00 -0.02 0.00 0.00 41.12 40.50 1cf4 n ASP 11 CO 0.00 0.00 0.00 -0.83 -0.39 0.00 0.00 177.20 175.98 1cf4 s GLY 12 N -0.50 1.66 0.11 0.44 0.00 -1.23 -4.77 107.32 103.03 1cf4 s GLY 12 Ca 0.36 0.03 -0.31 0.00 0.00 0.00 0.00 44.72 44.80 1cf4 s GLY 12 CO 0.10 0.34 1.59 0.00 0.00 0.00 0.00 173.10 175.13 1cf4 h ALA 13 N -0.64 -0.74 0.00 3.20 0.00 -1.92 -3.46 119.26 115.70 1cf4 h ALA 13 Ca -0.44 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.39 1cf4 h ALA 13 Cb 1.21 0.66 0.00 0.00 0.00 0.00 0.00 17.79 19.66 1cf4 h ALA 13 CO 0.58 -0.98 0.00 1.55 0.00 0.00 0.00 179.25 180.40 1cf4 n VAL 14 N -5.46 0.00 0.15 0.00 3.14 -1.26 -4.87 118.33 110.03 1cf4 n VAL 14 Ca -0.08 0.00 0.17 0.00 -2.96 0.00 0.00 64.34 61.47 1cf4 n VAL 14 Cb 0.38 0.00 0.56 0.00 -1.06 0.00 0.00 33.84 33.71 1cf4 n VAL 14 CO 0.00 0.00 0.00 1.23 -6.46 0.00 0.00 176.83 171.60 1cf4 h GLY 15 N 0.00 0.00 0.47 7.55 0.00 -1.89 1.01 103.07 110.22 1cf4 h GLY 15 Ca 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 47.33 47.31 1cf4 h GLY 15 CO 0.00 0.00 -0.22 1.70 0.00 0.00 0.00 176.54 178.02 1cf4 h LYS 16 N 0.00 -0.60 0.03 4.80 3.11 -1.92 -3.40 116.57 118.60 1cf4 h LYS 16 Ca 0.16 0.04 -0.38 0.00 -2.81 0.00 0.00 60.65 57.66 1cf4 h LYS 16 Cb 1.53 0.14 -0.06 0.00 -1.00 0.00 0.00 32.23 32.84 1cf4 h LYS 16 CO -0.00 -0.39 -2.34 0.25 -2.81 0.00 0.00 179.45 174.16 1cf4 n THR 17 N -5.19 1.56 0.00 1.00 -2.24 -0.75 -4.29 114.28 104.38 1cf4 n THR 17 Ca -0.08 -0.61 0.00 0.00 -2.27 0.00 0.00 64.05 61.09 1cf4 n THR 17 Cb 0.25 -1.46 0.00 0.00 -2.10 0.00 0.00 70.33 67.03 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 -0.15 0.00 0.00 4.07 -1.76 -2.39 115.31 115.07 1cf4 h LEU 19 Ca 0.00 0.01 0.00 0.00 0.08 0.00 0.00 57.88 57.97 1cf4 h LEU 19 Cb 0.00 0.04 0.00 0.00 1.08 0.00 0.00 40.66 41.78 1cf4 h LEU 19 CO 0.00 -0.08 0.00 0.18 -1.08 0.00 0.00 178.44 177.46 1cf4 n LEU 20 N -2.61 0.00 -0.30 1.67 4.77 -1.19 -0.39 117.00 118.95 1cf4 n LEU 20 Ca -0.02 0.99 0.07 0.00 -0.03 0.00 0.00 56.01 57.01 1cf4 n LEU 20 Cb 0.07 -0.49 0.17 0.00 -2.33 0.00 0.00 43.42 40.84 1cf4 n LEU 20 CO 0.05 -0.49 0.75 -0.29 -1.33 0.00 0.00 177.39 176.09 1cf4 h ILE 21 N 0.00 0.16 0.00 -0.08 6.09 0.53 1.19 117.51 125.39 1cf4 h ILE 21 Ca 0.00 -0.01 -0.02 0.00 -1.37 0.00 0.00 64.86 63.46 1cf4 h ILE 21 Cb 0.00 0.13 -0.00 0.00 0.47 0.00 0.00 36.82 37.41 1cf4 h ILE 21 CO 0.00 0.01 -0.11 -1.28 -3.07 0.00 0.00 178.15 173.69 1cf4 h SER 22 N 0.03 0.00 0.17 2.19 0.87 -1.01 1.30 113.55 117.10 1cf4 h SER 22 Ca 0.46 0.00 -0.23 0.00 -1.23 0.00 0.00 61.79 60.79 1cf4 h SER 22 Cb 0.81 0.00 0.01 0.00 -0.44 0.00 0.00 62.40 62.78 1cf4 h SER 22 CO -0.84 0.11 -0.93 0.22 -0.53 0.00 0.00 176.83 174.86 1cf4 h TYR 23 N 0.00 0.79 0.00 2.24 5.03 0.42 -1.76 116.97 123.69 1cf4 h TYR 23 Ca -0.00 -0.41 -0.17 0.00 2.58 0.00 0.00 58.73 60.72 1cf4 h TYR 23 Cb 0.21 -0.10 -0.02 0.00 1.55 0.00 0.00 36.73 38.37 1cf4 h TYR 23 CO 0.00 1.23 -0.94 0.00 -1.32 0.00 0.00 178.16 177.13 1cf4 h THR 24 N 0.32 1.14 0.00 1.81 1.03 -0.40 -3.43 112.91 113.39 1cf4 h THR 24 Ca -0.09 -2.23 0.00 0.00 -0.01 0.00 0.00 66.41 64.09 1cf4 h THR 24 Cb 1.56 2.54 0.00 0.00 -1.07 0.00 0.00 68.15 71.18 1cf4 h THR 24 CO 0.17 0.40 -0.58 0.35 -0.01 0.00 0.00 175.52 175.85 1cf4 n THR 25 N -4.46 1.19 -2.86 0.00 -2.24 0.44 -5.03 114.28 101.32 1cf4 n THR 25 Ca -0.26 0.24 -0.09 0.00 -2.27 0.00 0.00 64.05 61.67 1cf4 n THR 25 Cb 0.64 -2.22 0.03 0.00 -2.10 0.00 0.00 70.33 66.68 1cf4 n THR 25 CO 0.00 0.00 0.00 -3.20 -0.57 0.00 0.00 175.07 171.30 1cf4 n ASN 26 N -4.17 -3.44 -3.97 3.42 4.05 -0.66 -4.95 115.26 105.55 1cf4 n ASN 26 Ca -0.08 -0.21 -0.42 0.00 0.45 0.00 0.00 54.58 54.32 1cf4 n ASN 26 Cb 0.30 -2.23 0.01 0.00 1.23 0.00 0.00 39.78 39.08 1cf4 n ASN 26 CO 0.00 0.00 0.00 0.29 -3.05 0.00 0.00 177.26 174.50 1cf4 n LYS 27 N -2.22 4.45 -0.03 1.20 5.02 -1.26 -4.74 118.16 120.59 1cf4 n LYS 27 Ca -0.01 -4.57 -0.21 0.00 -2.02 0.00 0.00 58.31 51.50 1cf4 n LYS 27 Cb 0.53 -2.50 -0.13 0.00 -0.02 0.00 0.00 35.03 32.91 1cf4 n LYS 27 CO 0.00 0.00 0.00 0.35 -0.52 0.00 0.00 177.40 177.23 1cf4 h PHE 28 N 5.35 0.29 -0.61 2.13 3.57 -1.93 -3.42 116.94 122.32 1cf4 h PHE 28 Ca 0.21 -0.21 -0.71 0.00 3.53 0.00 0.00 57.97 60.78 1cf4 h PHE 28 Cb 0.60 -0.01 -0.08 0.00 2.79 0.00 0.00 35.95 39.25 1cf4 h PHE 28 CO 1.02 1.50 2.58 -0.35 -2.23 0.00 0.00 178.31 180.84 1cf4 n PRO 29 N -4.08 3.10 0.00 6.41 -0.04 -1.26 -4.36 135.00 134.77 1cf4 n PRO 29 Ca -0.26 -3.02 0.00 0.00 -0.04 0.00 0.00 63.50 60.18 1cf4 n PRO 29 Cb 0.82 -3.27 0.00 0.00 -0.04 0.00 0.00 33.50 31.01 1cf4 n PRO 29 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 1cf4 n SER 30 N 6.32 0.00 -3.67 3.54 7.64 -1.26 -5.17 113.62 121.01 1cf4 n SER 30 Ca 0.48 0.00 -0.10 0.00 1.01 0.00 0.00 58.87 60.26 1cf4 n SER 30 Cb 0.41 0.00 -0.03 0.00 -1.01 0.00 0.00 64.21 63.58 1cf4 n SER 30 CO 0.00 0.00 0.00 -1.83 -3.01 0.00 0.00 175.04 170.20 1cf4 s GLU 31 N 0.00 1.46 -0.08 1.43 -1.05 -1.26 -5.16 118.70 114.03 1cf4 s GLU 31 Ca 0.00 -0.77 0.00 0.00 -0.15 0.00 0.00 54.97 54.06 1cf4 s GLU 31 Cb 0.00 0.57 0.02 0.00 -0.44 0.00 0.00 34.13 34.28 1cf4 s GLU 31 CO 0.00 -0.64 -0.07 0.71 0.95 0.00 0.00 175.26 176.21 1cf4 s TYR 32 N -3.84 1.25 0.17 4.83 1.51 -1.26 -4.88 117.35 115.13 1cf4 s TYR 32 Ca 0.07 -0.53 0.00 0.00 -1.01 0.00 0.00 57.07 55.60 1cf4 s TYR 32 Cb -0.02 -1.04 0.00 0.00 -0.11 0.00 0.00 41.96 40.78 1cf4 s TYR 32 CO -0.04 -0.38 0.00 0.28 -1.11 0.00 0.00 175.55 174.31 1cf4 n VAL 33 N 4.53 0.00 -0.89 0.71 0.31 -1.26 -4.98 118.33 116.75 1cf4 n VAL 33 Ca -0.17 0.00 -0.22 0.00 -0.01 0.00 0.00 64.34 63.95 1cf4 n VAL 33 Cb 0.51 -0.07 -0.06 0.00 -0.91 0.00 0.00 33.84 33.30 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 -2.86 2.30 -0.01 5.55 -0.02 -1.26 -4.02 135.00 134.68 1cf4 n PRO 34 Ca 0.00 -1.39 0.06 0.00 -2.02 0.00 0.00 63.50 60.15 1cf4 n PRO 34 Cb 0.00 -2.33 -0.11 0.00 -0.02 0.00 0.00 33.50 31.04 1cf4 n PRO 34 CO 0.00 0.00 0.00 2.41 1.98 0.00 0.00 175.50 179.89 1cf4 n THR 35 N 3.47 0.06 -0.15 3.45 -1.04 -1.26 -4.67 114.28 114.14 1cf4 n THR 35 Ca 0.49 -0.34 -0.06 0.00 -2.04 0.00 0.00 64.05 62.10 1cf4 n THR 35 Cb 0.36 0.12 -0.05 0.00 -1.82 0.00 0.00 70.33 68.94 1cf4 n THR 35 CO 0.00 0.00 0.00 -0.37 -0.64 0.00 0.00 175.07 174.06 1cf4 h VAL 36 N 0.00 0.00 0.00 12.58 -1.51 -1.82 -3.39 116.25 122.11 1cf4 h VAL 36 Ca -0.02 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.45 1cf4 h VAL 36 Cb 0.73 0.00 0.00 0.00 -2.13 0.00 0.00 31.29 29.89 1cf4 h VAL 36 CO 0.00 0.00 0.00 0.49 -1.23 0.00 0.00 177.57 176.83 1cf4 n PHE 37 N -4.06 0.00 0.00 5.19 3.72 -1.26 -4.68 117.46 116.37 1cf4 n PHE 37 Ca -0.00 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.40 1cf4 n PHE 37 Cb 0.14 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 38.68 1cf4 n PHE 37 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 176.76 176.46 1cf4 n ASP 38 N 0.58 0.00 0.00 4.37 8.00 -1.26 -3.88 116.55 124.37 1cf4 n ASP 38 Ca 0.00 0.00 0.09 0.00 0.71 0.00 0.00 54.79 55.59 1cf4 n ASP 38 Cb 0.00 0.00 0.47 0.00 -0.02 0.00 0.00 41.12 41.57 1cf4 n ASP 38 CO 0.00 0.00 0.00 -0.46 -0.39 0.00 0.00 177.20 176.35 1cf4 n ASN 39 N 1.06 0.00 -4.55 -2.24 6.94 -1.26 -3.88 115.26 111.32 1cf4 n ASN 39 Ca 0.00 -0.10 -0.25 0.00 -0.02 0.00 0.00 54.58 54.21 1cf4 n ASN 39 Cb 0.00 -0.22 -0.05 0.00 -2.36 0.00 0.00 39.78 37.15 1cf4 n ASN 39 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1cf4 n TYR 40 N -1.22 1.30 -2.48 -2.53 4.19 -1.25 -4.91 117.16 110.25 1cf4 n TYR 40 Ca 0.10 0.06 -0.23 0.00 3.31 0.00 0.00 57.90 61.13 1cf4 n TYR 40 Cb 0.12 -2.62 0.13 0.00 0.49 0.00 0.00 39.34 37.46 1cf4 n TYR 40 CO 0.00 0.00 0.00 0.00 0.91 0.00 0.00 176.86 177.77 1cf4 n ALA 41 N 17.21 -0.09 -2.38 2.98 0.00 -1.26 -4.46 120.51 132.51 1cf4 n ALA 41 Ca 0.42 -1.85 -0.08 0.00 0.00 0.00 0.00 53.44 51.92 1cf4 n ALA 41 Cb 0.49 0.25 -0.08 0.00 0.00 0.00 0.00 19.45 20.10 1cf4 n ALA 41 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.50 177.64 1cf4 s VAL 42 N -3.11 0.16 -0.27 0.00 -7.23 -1.26 -5.08 120.40 103.60 1cf4 s VAL 42 Ca 0.65 -1.47 0.01 0.00 -1.81 0.00 0.00 61.98 59.36 1cf4 s VAL 42 Cb -0.03 -1.51 0.08 0.00 0.56 0.00 0.00 36.38 35.47 1cf4 s VAL 42 CO 0.44 -0.71 -0.00 0.42 -0.31 0.00 0.00 175.10 174.93 1cf4 s THR 43 N -3.91 1.59 0.29 5.32 -4.23 -1.26 -4.65 115.64 108.79 1cf4 s THR 43 Ca 0.09 -1.51 -0.08 0.00 -1.18 0.00 0.00 61.69 59.00 1cf4 s THR 43 Cb 0.06 -1.98 0.03 0.00 1.34 0.00 0.00 72.50 71.95 1cf4 s THR 43 CO -0.08 -0.32 0.53 1.33 -0.54 0.00 0.00 174.62 175.54 1cf4 n VAL 44 N 4.61 0.00 -3.34 2.29 0.24 -1.26 -5.09 118.33 115.77 1cf4 n VAL 44 Ca -0.07 -0.96 -0.46 0.00 -2.04 0.00 0.00 64.34 60.81 1cf4 n VAL 44 Cb 0.43 0.79 -0.05 0.00 -1.47 0.00 0.00 33.84 33.54 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 -2.25 3.09 -0.88 7.34 1.75 -1.26 -2.06 119.30 125.02 1cf4 s MET 45 Ca 0.16 -1.91 -0.25 0.00 -1.25 0.00 0.00 55.69 52.44 1cf4 s MET 45 Cb -0.03 -4.29 -0.03 0.00 2.84 0.00 0.00 34.83 33.32 1cf4 s MET 45 CO 0.11 -1.31 1.88 0.42 -0.65 0.00 0.00 175.02 175.48 1cf4 s ILE 46 N 1.20 3.49 0.00 10.11 -1.09 -0.41 -4.81 121.20 129.69 1cf4 s ILE 46 Ca 0.07 -0.35 0.00 0.00 -2.23 0.00 0.00 60.65 58.14 1cf4 s ILE 46 Cb -0.25 -4.12 0.00 0.00 -1.58 0.00 0.00 42.46 36.52 1cf4 s ILE 46 CO -0.00 -1.05 0.00 0.61 -1.23 0.00 0.00 174.94 173.26 1cf4 n GLY 47 N 6.73 0.49 0.00 6.18 0.00 -1.26 -3.01 105.19 114.32 1cf4 n GLY 47 Ca 0.37 0.14 0.00 0.00 0.00 0.00 0.00 46.02 46.54 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 0.00 -2.59 3.27 -0.02 0.00 -1.26 -4.84 105.19 99.75 1cf4 n GLY 48 Ca 0.00 0.55 -0.15 0.00 0.00 0.00 0.00 46.02 46.43 1cf4 n GLY 48 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1cf4 s GLU 49 N -0.71 1.21 -0.60 1.61 2.02 -1.17 -4.87 118.70 116.21 1cf4 s GLU 49 Ca 0.00 -1.61 -0.33 0.00 0.02 0.00 0.00 54.97 53.05 1cf4 s GLU 49 Cb 0.00 -0.34 -0.15 0.00 0.10 0.00 0.00 34.13 33.75 1cf4 s GLU 49 CO 0.00 -0.15 2.39 -2.30 0.02 0.00 0.00 175.26 175.22 1cf4 n PRO 50 N -0.32 0.62 -3.58 0.39 -0.02 -1.26 -3.22 135.00 127.60 1cf4 n PRO 50 Ca -0.05 0.10 -0.06 0.00 -2.02 0.00 0.00 63.50 61.47 1cf4 n PRO 50 Cb 0.64 -2.28 -0.03 0.00 -0.02 0.00 0.00 33.50 31.81 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 8.79 -0.22 0.04 6.00 6.14 -0.87 -4.87 117.35 132.36 1cf4 s TYR 51 Ca 1.16 0.26 0.01 0.00 0.64 0.00 0.00 57.07 59.14 1cf4 s TYR 51 Cb -0.90 0.50 -0.03 0.00 0.42 0.00 0.00 41.96 41.95 1cf4 s TYR 51 CO 0.46 -0.28 -0.05 0.95 0.64 0.00 0.00 175.55 177.27 1cf4 s THR 52 N -1.96 0.33 -0.45 4.34 -4.23 -1.26 -1.29 115.64 111.12 1cf4 s THR 52 Ca 0.05 -1.28 -0.05 0.00 -1.18 0.00 0.00 61.69 59.23 1cf4 s THR 52 Cb -0.01 -0.80 0.12 0.00 1.34 0.00 0.00 72.50 73.15 1cf4 s THR 52 CO -0.04 -0.62 0.28 -1.48 -0.54 0.00 0.00 174.62 172.22 1cf4 s LEU 53 N -2.00 5.45 0.00 4.79 2.34 -1.26 -4.99 118.68 123.01 1cf4 s LEU 53 Ca -0.06 -2.04 -0.13 0.00 0.06 0.00 0.00 54.13 51.96 1cf4 s LEU 53 Cb -0.04 -1.91 0.20 0.00 -0.56 0.00 0.00 46.19 43.88 1cf4 s LEU 53 CO -0.03 -0.59 0.44 0.61 -1.06 0.00 0.00 176.35 175.72 1cf4 n GLY 54 N 4.65 -2.18 2.53 -3.48 0.00 -1.26 -4.98 105.19 100.47 1cf4 n GLY 54 Ca -0.04 -0.70 -0.29 0.00 0.00 0.00 0.00 46.02 44.99 1cf4 n GLY 54 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1cf4 s LEU 55 N 0.00 0.69 -0.36 0.99 1.02 -1.26 -4.74 118.68 115.03 1cf4 s LEU 55 Ca 0.34 -1.51 -0.26 0.00 0.02 0.00 0.00 54.13 52.73 1cf4 s LEU 55 Cb -0.06 -0.38 0.01 0.00 0.02 0.00 0.00 46.19 45.79 1cf4 s LEU 55 CO 0.29 -0.41 0.91 0.12 0.02 0.00 0.00 176.35 177.28 1cf4 s PHE 56 N 1.84 3.10 0.31 0.29 5.36 -1.25 -4.34 117.98 123.29 1cf4 s PHE 56 Ca 0.11 0.80 0.02 0.00 -0.96 0.00 0.00 56.93 56.90 1cf4 s PHE 56 Cb -0.18 -3.58 0.02 0.00 -0.34 0.00 0.00 43.02 38.94 1cf4 s PHE 56 CO -0.28 -0.78 0.14 -3.47 -1.46 0.00 0.00 175.22 169.37 1cf4 n ASP 57 N 6.68 2.33 -3.42 6.13 2.03 -1.26 -4.81 116.55 124.24 1cf4 n ASP 57 Ca 0.07 -2.17 -0.14 0.00 0.52 0.00 0.00 54.79 53.07 1cf4 n ASP 57 Cb 0.48 0.07 0.08 0.00 -0.72 0.00 0.00 41.12 41.03 1cf4 n ASP 57 CO 0.00 0.00 0.00 0.35 -1.92 0.00 0.00 177.20 175.63 1cf4 n THR 58 N -1.03 0.00 -3.65 5.18 -2.24 -1.26 -4.82 114.28 106.45 1cf4 n THR 58 Ca -0.06 -0.85 -0.01 0.00 -2.27 0.00 0.00 64.05 60.86 1cf4 n THR 58 Cb 0.36 -1.23 -0.01 0.00 -2.10 0.00 0.00 70.33 67.35 1cf4 n THR 58 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1cf4 s ALA 59 N -3.22 -2.01 0.00 6.98 0.00 -1.26 -4.62 121.76 117.62 1cf4 s ALA 59 Ca 0.40 0.65 0.02 0.00 0.00 0.00 0.00 51.96 53.03 1cf4 s ALA 59 Cb -0.02 0.39 0.03 0.00 0.00 0.00 0.00 23.12 23.52 1cf4 s ALA 59 CO 0.27 -0.97 0.81 0.41 0.00 0.00 0.00 175.76 176.28 1cf4 n GLY 60 N -0.42 0.73 0.60 0.00 0.00 -1.26 -4.33 105.19 100.51 1cf4 n GLY 60 Ca -0.07 -0.06 -0.05 0.00 0.00 0.00 0.00 46.02 45.84 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 0.03 0.00 -0.61 0.99 -0.00 -1.26 -4.73 117.00 111.42 1cf4 n LEU 61 Ca -0.01 -0.53 0.47 0.00 -0.00 0.00 0.00 56.01 55.94 1cf4 n LEU 61 Cb 0.65 0.07 0.73 0.00 -0.00 0.00 0.00 43.42 44.87 1cf4 n LEU 61 CO -0.01 -0.08 1.32 -0.62 -0.00 0.00 0.00 177.39 178.00 1cf4 n GLU 62 N -0.20 -0.01 -0.11 1.47 1.02 -1.26 -1.21 120.64 120.34 1cf4 n GLU 62 Ca -0.03 1.03 -0.09 0.00 -0.02 0.00 0.00 57.16 58.04 1cf4 n GLU 62 Cb 0.11 -2.29 -0.07 0.00 -0.02 0.00 0.00 31.44 29.16 1cf4 n GLU 62 CO 0.00 0.00 0.00 0.22 1.18 0.00 0.00 177.13 178.53 1cf4 h ASP 63 N 0.00 -1.30 0.00 1.62 1.82 -1.99 -3.44 116.42 113.13 1cf4 h ASP 63 Ca 0.86 0.17 0.00 0.00 -0.39 0.00 0.00 57.03 57.67 1cf4 h ASP 63 Cb 3.31 0.54 0.00 0.00 0.68 0.00 0.00 39.33 43.86 1cf4 h ASP 63 CO -0.09 -0.27 0.00 0.00 -1.61 0.00 0.00 179.24 177.27 1cf4 n TYR 64 N -4.53 0.00 0.31 0.28 0.18 -0.35 -5.02 117.16 108.03 1cf4 n TYR 64 Ca -0.02 0.00 0.18 0.00 1.88 0.00 0.00 57.90 59.94 1cf4 n TYR 64 Cb 0.23 0.00 0.98 0.00 -0.38 0.00 0.00 39.34 40.16 1cf4 n TYR 64 CO 0.00 0.00 0.00 0.22 -2.08 0.00 0.00 176.86 175.00 1cf4 h ASP 65 N 0.00 0.00 -0.10 9.48 3.58 -1.74 -2.28 116.42 125.36 1cf4 h ASP 65 Ca 0.00 0.00 0.03 0.00 0.42 0.00 0.00 57.03 57.48 1cf4 h ASP 65 Cb 0.00 0.00 -0.00 0.00 1.72 0.00 0.00 39.33 41.05 1cf4 h ASP 65 CO 0.00 0.03 0.30 0.08 -2.88 0.00 0.00 179.24 176.77 1cf4 h ARG 66 N 0.00 0.00 -6.39 0.28 -0.00 -1.92 -3.43 114.38 102.92 1cf4 h ARG 66 Ca -0.00 0.00 -0.61 0.00 -0.00 0.00 0.00 59.98 59.37 1cf4 h ARG 66 Cb 0.15 0.00 0.12 0.00 -0.00 0.00 0.00 29.97 30.23 1cf4 h ARG 66 CO 0.00 0.00 -0.06 1.47 -0.00 0.00 0.00 179.97 181.38 1cf4 n LEU 67 N -3.17 1.08 -2.70 0.08 -0.00 -0.86 -4.93 117.00 106.50 1cf4 n LEU 67 Ca 0.00 1.11 -0.07 0.00 -0.00 0.00 0.00 56.01 57.05 1cf4 n LEU 67 Cb 0.38 -1.21 0.12 0.00 -0.00 0.00 0.00 43.42 42.71 1cf4 n LEU 67 CO 0.18 -1.91 0.48 -2.11 -0.00 0.00 0.00 177.39 174.03 1cf4 n ARG 68 N 0.69 1.20 -0.03 1.47 1.85 -1.26 -4.94 116.66 115.64 1cf4 n ARG 68 Ca 0.11 -1.88 -0.14 0.00 -1.00 0.00 0.00 57.85 54.94 1cf4 n ARG 68 Cb 0.33 -0.09 -0.11 0.00 -1.05 0.00 0.00 32.46 31.54 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 2.02 0.12 -0.39 2.89 0.13 -1.96 -3.20 132.00 131.60 1cf4 h PRO 69 Ca -0.28 -0.11 0.11 0.00 -0.87 0.00 0.00 66.00 64.86 1cf4 h PRO 69 Cb 1.29 0.03 -0.02 0.00 0.13 0.00 0.00 31.00 32.43 1cf4 h PRO 69 CO -0.04 0.81 0.52 1.37 -0.23 0.00 0.00 178.00 180.43 1cf4 h LEU 70 N -0.54 0.00 -1.99 1.56 8.10 -1.96 0.58 115.31 121.07 1cf4 h LEU 70 Ca -0.01 0.00 0.26 0.00 0.11 0.00 0.00 57.88 58.23 1cf4 h LEU 70 Cb 0.84 0.00 -0.04 0.00 -0.44 0.00 0.00 40.66 41.03 1cf4 h LEU 70 CO 0.03 0.00 0.64 0.28 -4.11 0.00 0.00 178.44 175.28 1cf4 h SER 71 N 0.00 0.01 0.00 0.17 0.02 -1.97 -3.36 113.55 108.42 1cf4 h SER 71 Ca 0.18 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.14 1cf4 h SER 71 Cb 1.23 -0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.76 1cf4 h SER 71 CO -0.00 0.00 0.00 0.00 -1.14 0.00 0.00 176.83 175.69 1cf4 n TYR 72 N -4.28 0.00 -1.77 3.45 9.36 0.08 -4.98 117.16 119.02 1cf4 n TYR 72 Ca 0.18 0.00 -0.33 0.00 3.32 0.00 0.00 57.90 61.07 1cf4 n TYR 72 Cb 0.95 0.00 0.05 0.00 -0.63 0.00 0.00 39.34 39.71 1cf4 n TYR 72 CO 0.00 0.00 0.00 -2.14 0.22 0.00 0.00 176.86 174.94 1cf4 s PRO 73 N 0.00 2.80 -0.01 2.98 0.02 -0.53 -4.96 135.00 135.29 1cf4 s PRO 73 Ca 0.00 1.43 0.21 0.00 0.02 0.00 0.00 61.00 62.66 1cf4 s PRO 73 Cb 0.00 -1.95 0.61 0.00 0.02 0.00 0.00 34.50 33.19 1cf4 s PRO 73 CO 0.00 -1.26 1.51 0.94 -0.33 0.00 0.00 177.00 177.87 1cf4 n GLN 74 N -2.36 2.84 -0.67 5.54 0.00 -1.26 -4.90 117.38 116.57 1cf4 n GLN 74 Ca 0.11 -2.62 -0.28 0.00 -0.00 0.00 0.00 57.00 54.20 1cf4 n GLN 74 Cb 0.52 -1.56 0.14 0.00 0.00 0.00 0.00 30.24 29.34 1cf4 n GLN 74 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.06 179.47 1cf4 n THR 75 N 1.46 0.00 -0.01 1.69 -1.04 -1.26 -4.97 114.28 110.15 1cf4 n THR 75 Ca 0.23 -0.17 0.01 0.00 -2.04 0.00 0.00 64.05 62.08 1cf4 n THR 75 Cb 0.63 -0.48 -0.05 0.00 -1.82 0.00 0.00 70.33 68.61 1cf4 n THR 75 CO 0.00 0.00 0.00 -0.90 -0.64 0.00 0.00 175.07 173.53 1cf4 n ASP 76 N -0.76 3.47 -3.72 8.00 5.75 -1.26 -4.89 116.55 123.14 1cf4 n ASP 76 Ca 0.02 0.00 -0.30 0.00 -0.01 0.00 0.00 54.79 54.50 1cf4 n ASP 76 Cb 0.55 1.05 -0.13 0.00 -1.03 0.00 0.00 41.12 41.56 1cf4 n ASP 76 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 1cf4 s VAL 77 N -2.34 1.27 0.74 2.12 0.11 -1.26 -4.08 120.40 116.96 1cf4 s VAL 77 Ca -0.03 -2.27 -0.11 0.00 -2.93 0.00 0.00 61.98 56.64 1cf4 s VAL 77 Cb 0.03 -1.91 0.05 0.00 -1.53 0.00 0.00 36.38 33.02 1cf4 s VAL 77 CO 0.27 -0.84 1.12 -0.36 -3.33 0.00 0.00 175.10 171.95 1cf4 s PHE 78 N 0.67 3.13 -0.19 1.54 0.40 0.31 -4.22 117.98 119.61 1cf4 s PHE 78 Ca 0.16 0.85 -0.04 0.00 -0.60 0.00 0.00 56.93 57.29 1cf4 s PHE 78 Cb -0.23 -3.25 0.08 0.00 0.51 0.00 0.00 43.02 40.13 1cf4 s PHE 78 CO -0.05 -1.44 0.14 -1.17 0.70 0.00 0.00 175.22 173.40 1cf4 s LEU 79 N -5.43 0.19 -0.21 -0.37 2.96 -1.17 -3.34 118.68 111.33 1cf4 s LEU 79 Ca 0.60 -0.53 -0.13 0.00 -0.22 0.00 0.00 54.13 53.84 1cf4 s LEU 79 Cb -0.11 -0.02 -0.04 0.00 0.50 0.00 0.00 46.19 46.51 1cf4 s LEU 79 CO 0.50 -0.35 0.28 0.68 -1.32 0.00 0.00 176.35 176.14 1cf4 s VAL 80 N 2.20 5.29 0.26 1.68 -7.23 -1.08 -2.23 120.40 119.29 1cf4 s VAL 80 Ca 0.04 0.47 0.11 0.00 -1.81 0.00 0.00 61.98 60.79 1cf4 s VAL 80 Cb -0.16 -3.62 -0.05 0.00 0.56 0.00 0.00 36.38 33.12 1cf4 s VAL 80 CO -0.13 0.32 -0.12 0.00 -0.31 0.00 0.00 175.10 174.87 1cf4 n PHE 82 N -0.58 -0.75 -3.89 0.00 1.16 -1.26 -3.57 117.46 108.57 1cf4 n PHE 82 Ca -0.07 -0.96 -0.16 0.00 -1.87 0.00 0.00 57.45 54.40 1cf4 n PHE 82 Cb 0.59 0.20 -0.16 0.00 -1.61 0.00 0.00 39.48 38.50 1cf4 n PHE 82 CO 0.00 0.00 0.00 -1.54 -1.87 0.00 0.00 176.76 173.35 1cf4 s SER 83 N -1.87 0.27 0.00 5.98 1.04 -1.26 -4.86 113.70 113.01 1cf4 s SER 83 Ca 0.12 -0.01 0.00 0.00 0.48 0.00 0.00 55.95 56.54 1cf4 s SER 83 Cb -0.00 -0.14 0.00 0.00 0.10 0.00 0.00 66.02 65.98 1cf4 s SER 83 CO 0.09 -0.09 0.90 0.52 0.98 0.00 0.00 173.24 175.64 1cf4 n VAL 84 N 3.97 0.00 -1.41 5.02 0.31 -1.26 -4.32 118.33 120.64 1cf4 n VAL 84 Ca -0.25 1.40 -0.50 0.00 -0.01 0.00 0.00 64.34 64.98 1cf4 n VAL 84 Cb 0.52 -2.09 -0.10 0.00 -0.91 0.00 0.00 33.84 31.26 1cf4 n VAL 84 CO 0.00 0.00 0.00 1.33 -1.32 0.00 0.00 176.83 176.84 1cf4 n VAL 85 N -2.25 0.07 -3.74 2.52 0.24 -1.26 -3.25 118.33 110.66 1cf4 n VAL 85 Ca 0.00 -0.19 -0.12 0.00 -2.04 0.00 0.00 64.34 61.99 1cf4 n VAL 85 Cb 0.00 -1.21 -0.11 0.00 -1.47 0.00 0.00 33.84 31.05 1cf4 n VAL 85 CO 0.00 0.00 0.00 -0.55 -2.14 0.00 0.00 176.83 174.14 1cf4 s SER 86 N 7.83 -0.39 -0.76 -1.34 0.15 -1.26 -5.03 113.70 112.90 1cf4 s SER 86 Ca 1.17 0.74 -0.04 0.00 0.70 0.00 0.00 55.95 58.52 1cf4 s SER 86 Cb -1.05 0.71 0.11 0.00 -1.71 0.00 0.00 66.02 64.09 1cf4 s SER 86 CO 0.51 -0.14 2.56 -0.81 1.20 0.00 0.00 173.24 176.56 1cf4 n PRO 87 N 3.25 3.20 -1.92 5.44 -0.04 -1.26 -4.35 135.00 139.31 1cf4 n PRO 87 Ca -0.16 -2.87 0.00 0.00 -0.04 0.00 0.00 63.50 60.44 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 0.45 -0.04 0.00 0.00 175.50 175.91 1cf4 n SER 88 N 0.95 -1.01 -0.03 3.54 2.88 -1.26 -4.38 113.62 114.31 1cf4 n SER 88 Ca 0.53 0.00 -0.01 0.00 -1.33 0.00 0.00 58.87 58.06 1cf4 n SER 88 Cb 0.43 -0.47 -0.14 0.00 -0.75 0.00 0.00 64.21 63.28 1cf4 n SER 88 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 1cf4 n SER 89 N 1.86 0.28 0.09 -3.46 2.88 -1.26 -4.36 113.62 109.65 1cf4 n SER 89 Ca 0.00 0.12 -0.16 0.00 -1.33 0.00 0.00 58.87 57.50 1cf4 n SER 89 Cb 0.47 1.00 -0.10 0.00 -0.75 0.00 0.00 64.21 64.84 1cf4 n SER 89 CO 0.00 0.00 0.00 0.15 -1.23 0.00 0.00 175.04 173.96 1cf4 h PHE 90 N 0.00 -1.54 -0.08 0.66 3.57 -1.93 0.24 116.94 117.86 1cf4 h PHE 90 Ca -0.28 0.04 0.04 0.00 3.53 0.00 0.00 57.97 61.30 1cf4 h PHE 90 Cb 1.70 0.66 -0.06 0.00 2.79 0.00 0.00 35.95 41.04 1cf4 h PHE 90 CO 0.00 -0.59 -0.45 0.93 -2.23 0.00 0.00 178.31 175.97 1cf4 h GLU 91 N -0.72 -0.53 0.11 1.11 5.08 -2.00 -0.02 114.58 117.60 1cf4 h GLU 91 Ca 0.00 0.04 0.01 0.00 -1.00 0.00 0.00 59.36 58.41 1cf4 h GLU 91 Cb 0.75 0.12 -0.03 0.00 0.50 0.00 0.00 28.75 30.08 1cf4 h GLU 91 CO -0.31 -0.35 -0.39 -0.91 -1.00 0.00 0.00 179.01 176.04 1cf4 h ASN 92 N -0.55 -1.16 -0.84 1.42 4.21 -1.69 -1.90 115.58 115.06 1cf4 h ASN 92 Ca 0.06 0.12 0.20 0.00 1.21 0.00 0.00 56.30 57.89 1cf4 h ASN 92 Cb 0.66 0.43 -0.15 0.00 -1.12 0.00 0.00 38.32 38.13 1cf4 h ASN 92 CO -0.38 -0.41 0.03 0.58 -1.29 0.00 0.00 177.43 175.95 1cf4 h VAL 93 N -0.57 0.24 -0.25 2.81 2.07 -0.30 0.42 116.25 120.69 1cf4 h VAL 93 Ca -0.01 -0.03 0.06 0.00 0.82 0.00 0.00 66.70 67.54 1cf4 h VAL 93 Cb 0.56 0.15 -0.06 0.00 -1.52 0.00 0.00 31.29 30.42 1cf4 h VAL 93 CO -0.20 0.02 -0.12 0.50 0.02 0.00 0.00 177.57 177.78 1cf4 h LYS 94 N 0.09 -0.09 -0.10 1.57 3.11 -0.39 0.64 116.57 121.40 1cf4 h LYS 94 Ca 0.48 0.01 0.00 0.00 -2.81 0.00 0.00 60.65 58.32 1cf4 h LYS 94 Cb 0.89 0.02 0.00 0.00 -1.00 0.00 0.00 32.23 32.14 1cf4 h LYS 94 CO -0.74 -0.06 0.00 0.39 -2.81 0.00 0.00 179.45 176.23 1cf4 n GLU 95 N -5.29 1.32 -0.05 1.90 -0.58 0.33 -2.29 120.64 115.98 1cf4 n GLU 95 Ca -0.01 -0.49 -0.05 0.00 -0.42 0.00 0.00 57.16 56.19 1cf4 n GLU 95 Cb 0.21 -1.24 -0.07 0.00 -0.57 0.00 0.00 31.44 29.76 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 -0.22 2.09 -0.08 3.49 4.81 0.12 -4.56 118.16 123.80 1cf4 n LYS 96 Ca 0.11 0.01 -0.23 0.00 -0.87 0.00 0.00 58.31 57.33 1cf4 n LYS 96 Cb 0.15 -1.25 -0.12 0.00 0.02 0.00 0.00 35.03 33.84 1cf4 n LYS 96 CO 0.00 0.00 0.00 0.91 1.17 0.00 0.00 177.40 179.48 1cf4 n TRP 97 N -2.44 0.68 -0.23 5.64 5.03 0.20 -3.57 117.44 122.76 1cf4 n TRP 97 Ca -0.17 0.21 0.03 0.00 3.03 0.00 0.00 57.50 60.60 1cf4 n TRP 97 Cb 0.80 -1.08 0.14 0.00 -1.03 0.00 0.00 31.31 30.14 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 -0.47 0.56 0.00 -0.99 2.07 -1.63 0.82 116.25 116.61 1cf4 h VAL 98 Ca -0.49 -0.09 0.00 0.00 0.82 0.00 0.00 66.70 66.94 1cf4 h VAL 98 Cb 1.71 0.29 0.00 0.00 -1.52 0.00 0.00 31.29 31.77 1cf4 h VAL 98 CO -0.14 0.05 -0.08 1.55 0.02 0.00 0.00 177.57 178.96 1cf4 h PRO 99 N 0.25 0.00 0.07 1.57 0.13 -1.80 -3.05 132.00 129.18 1cf4 h PRO 99 Ca 0.37 0.00 -0.29 0.00 -0.87 0.00 0.00 66.00 65.21 1cf4 h PRO 99 Cb 0.59 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 31.70 1cf4 h PRO 99 CO -0.47 0.00 -1.57 0.93 -0.23 0.00 0.00 178.00 176.65 1cf4 h GLU 100 N 0.00 0.15 -0.04 0.86 4.39 -0.99 -2.99 114.58 115.96 1cf4 h GLU 100 Ca 0.00 -0.25 -0.07 0.00 0.34 0.00 0.00 59.36 59.38 1cf4 h GLU 100 Cb 0.76 0.09 -0.01 0.00 -0.10 0.00 0.00 28.75 29.49 1cf4 h GLU 100 CO 0.00 1.12 -0.30 0.97 -1.16 0.00 0.00 179.01 179.64 1cf4 h ILE 101 N -0.46 1.24 0.00 3.13 2.10 0.44 -2.59 117.51 121.37 1cf4 h ILE 101 Ca -0.37 -1.12 -0.15 0.00 1.08 0.00 0.00 64.86 64.30 1cf4 h ILE 101 Cb 1.67 1.55 -0.02 0.00 -1.09 0.00 0.00 36.82 38.93 1cf4 h ILE 101 CO -0.05 0.32 -0.91 0.71 -1.08 0.00 0.00 178.15 177.15 1cf4 h THR 102 N 0.06 0.94 0.10 2.19 1.35 -1.69 -2.80 112.91 113.07 1cf4 h THR 102 Ca 0.01 -2.44 -0.00 0.00 -0.55 0.00 0.00 66.41 63.43 1cf4 h THR 102 Cb 0.57 2.41 0.00 0.00 -1.73 0.00 0.00 68.15 69.41 1cf4 h THR 102 CO 0.04 0.54 -0.05 0.45 -0.25 0.00 0.00 175.52 176.25 1cf4 h HIS 103 N 0.00 -0.12 -0.23 4.73 3.86 -1.31 -3.28 115.15 118.79 1cf4 h HIS 103 Ca -0.06 -0.00 -0.09 0.00 -1.16 0.00 0.00 60.37 59.06 1cf4 h HIS 103 Cb 1.55 0.04 -0.00 0.00 1.06 0.00 0.00 27.41 30.06 1cf4 h HIS 103 CO 0.00 0.22 -0.20 0.45 0.86 0.00 0.00 177.93 179.26 1cf4 h HIS 104 N -0.49 0.65 -3.34 2.45 -0.00 -1.62 -3.43 115.15 109.38 1cf4 h HIS 104 Ca -0.01 -0.19 -0.65 0.00 -0.00 0.00 0.00 60.37 59.52 1cf4 h HIS 104 Cb 0.40 -0.14 -0.26 0.00 -0.00 0.00 0.00 27.41 27.42 1cf4 h HIS 104 CO 0.04 0.87 -0.72 0.00 -0.00 0.00 0.00 177.93 178.12 1cf4 n PRO 106 N 3.95 0.13 -2.79 0.00 -0.02 -1.25 -4.08 135.00 130.93 1cf4 n PRO 106 Ca -0.18 -1.41 -0.03 0.00 -2.02 0.00 0.00 63.50 59.86 1cf4 n PRO 106 Cb 0.52 -3.58 -0.02 0.00 -0.02 0.00 0.00 33.50 30.39 1cf4 n PRO 106 CO 0.00 0.00 0.00 1.17 1.98 0.00 0.00 175.50 178.65 1cf4 n LYS 107 N 7.80 -3.25 -5.05 -0.52 4.81 -1.25 -5.02 118.16 115.68 1cf4 n LYS 107 Ca 0.38 2.59 -0.31 0.00 -0.87 0.00 0.00 58.31 60.09 1cf4 n LYS 107 Cb 0.46 -3.79 -0.15 0.00 0.02 0.00 0.00 35.03 31.58 1cf4 n LYS 107 CO 0.00 0.00 0.00 0.95 1.17 0.00 0.00 177.40 179.52 1cf4 s THR 108 N -0.74 2.44 0.45 3.15 -4.23 -1.26 -5.10 115.64 110.35 1cf4 s THR 108 Ca -0.14 -1.05 -0.25 0.00 -1.18 0.00 0.00 61.69 59.06 1cf4 s THR 108 Cb 0.01 -1.92 -0.08 0.00 1.34 0.00 0.00 72.50 71.85 1cf4 s THR 108 CO 0.54 0.52 1.45 -2.84 -0.54 0.00 0.00 174.62 173.75 1cf4 s PRO 109 N -0.84 3.68 -0.11 3.99 0.02 -1.26 -4.85 135.00 135.63 1cf4 s PRO 109 Ca 0.11 2.46 -0.08 0.00 0.02 0.00 0.00 61.00 63.51 1cf4 s PRO 109 Cb -0.10 -2.67 0.04 0.00 0.02 0.00 0.00 34.50 31.79 1cf4 s PRO 109 CO 0.01 -0.84 0.28 -0.59 -0.33 0.00 0.00 177.00 175.53 1cf4 s PHE 110 N -1.19 -0.34 0.18 6.54 -0.71 -1.25 -0.53 117.98 120.68 1cf4 s PHE 110 Ca 0.61 0.81 0.07 0.00 -1.04 0.00 0.00 56.93 57.38 1cf4 s PHE 110 Cb -0.45 0.10 -0.04 0.00 -1.21 0.00 0.00 43.02 41.43 1cf4 s PHE 110 CO 0.58 -0.19 0.02 -1.17 -1.34 0.00 0.00 175.22 173.12 1cf4 s LEU 111 N 0.58 3.37 0.05 -1.99 0.20 -1.21 -2.47 118.68 117.20 1cf4 s LEU 111 Ca -0.04 -0.38 0.04 0.00 0.69 0.00 0.00 54.13 54.44 1cf4 s LEU 111 Cb -0.05 -2.01 -0.04 0.00 -0.43 0.00 0.00 46.19 43.67 1cf4 s LEU 111 CO -0.03 0.08 -0.01 -0.76 -0.29 0.00 0.00 176.35 175.33 1cf4 s LEU 112 N -3.03 3.42 0.05 -0.68 2.01 -1.26 -2.63 118.68 116.55 1cf4 s LEU 112 Ca 0.28 -0.13 0.04 0.00 0.01 0.00 0.00 54.13 54.34 1cf4 s LEU 112 Cb -0.09 -2.06 -0.02 0.00 0.01 0.00 0.00 46.19 44.02 1cf4 s LEU 112 CO 0.19 0.23 -0.13 -0.69 1.01 0.00 0.00 176.35 176.96 1cf4 s VAL 113 N -1.19 0.98 -0.32 -1.59 1.01 -1.26 -4.00 120.40 114.03 1cf4 s VAL 113 Ca 0.22 -1.08 0.02 0.00 0.00 0.00 0.00 61.98 61.14 1cf4 s VAL 113 Cb -0.12 -0.93 0.10 0.00 0.00 0.00 0.00 36.38 35.44 1cf4 s VAL 113 CO 0.14 -0.14 0.06 -0.83 0.00 0.00 0.00 175.10 174.33 1cf4 s GLY 114 N -1.38 1.52 -0.05 4.51 0.00 -1.23 -4.60 107.32 106.09 1cf4 s GLY 114 Ca -0.02 -2.09 -0.01 0.00 0.00 0.00 0.00 44.72 42.60 1cf4 s GLY 114 CO 0.01 1.23 -0.06 -1.30 0.00 0.00 0.00 173.10 172.99 1cf4 n THR 115 N 4.54 0.29 0.25 0.90 -2.24 -1.06 -1.96 114.28 114.99 1cf4 n THR 115 Ca 0.00 -0.09 0.04 0.00 -2.27 0.00 0.00 64.05 61.73 1cf4 n THR 115 Cb 0.42 -1.13 0.18 0.00 -2.10 0.00 0.00 70.33 67.70 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 -2.95 0.01 -0.37 -0.78 7.27 -1.26 -3.22 117.38 116.08 1cf4 n GLN 116 Ca -0.10 0.38 0.37 0.00 0.07 0.00 0.00 57.00 57.73 1cf4 n GLN 116 Cb 0.58 -1.52 0.66 0.00 2.41 0.00 0.00 30.24 32.37 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 0.00 0.11 -0.00 1.69 -2.65 -1.86 1.42 117.51 116.22 1cf4 h ILE 117 Ca 0.00 0.00 -0.12 0.00 1.03 0.00 0.00 64.86 65.77 1cf4 h ILE 117 Cb 0.13 0.15 -0.02 0.00 -2.05 0.00 0.00 36.82 35.03 1cf4 h ILE 117 CO 0.00 0.00 -0.56 0.44 0.03 0.00 0.00 178.15 178.06 1cf4 h ASP 118 N 0.00 0.02 1.67 2.16 3.32 -1.92 -2.96 116.42 118.70 1cf4 h ASP 118 Ca 0.63 -0.01 -0.07 0.00 0.02 0.00 0.00 57.03 57.60 1cf4 h ASP 118 Cb 2.91 -0.00 -0.01 0.00 0.22 0.00 0.00 39.33 42.44 1cf4 h ASP 118 CO -0.01 0.58 -0.32 -0.07 -1.72 0.00 0.00 179.24 177.70 1cf4 h LEU 119 N 0.01 0.00 -1.90 1.55 4.07 0.17 -3.29 115.31 115.92 1cf4 h LEU 119 Ca -0.01 0.00 0.40 0.00 0.08 0.00 0.00 57.88 58.36 1cf4 h LEU 119 Cb 1.00 0.00 -0.06 0.00 1.08 0.00 0.00 40.66 42.69 1cf4 h LEU 119 CO 0.07 0.32 1.06 0.08 -1.08 0.00 0.00 178.44 178.90 1cf4 h ARG 120 N 0.00 0.00 0.19 1.13 -0.00 -1.33 1.09 114.38 115.47 1cf4 h ARG 120 Ca -0.00 0.00 -0.31 0.00 -0.00 0.00 0.00 59.98 59.66 1cf4 h ARG 120 Cb 1.24 0.00 0.03 0.00 -0.00 0.00 0.00 29.97 31.24 1cf4 h ARG 120 CO 0.04 0.00 -1.37 0.22 -0.00 0.00 0.00 179.97 178.87 1cf4 h ASP 121 N 0.00 0.75 -0.56 0.08 3.58 -1.76 -3.45 116.42 115.07 1cf4 h ASP 121 Ca 0.66 -0.78 -0.56 0.00 0.42 0.00 0.00 57.03 56.77 1cf4 h ASP 121 Cb 2.79 -0.24 -0.05 0.00 1.72 0.00 0.00 39.33 43.55 1cf4 h ASP 121 CO -0.01 1.60 1.61 -0.67 -2.88 0.00 0.00 179.24 178.89 1cf4 n ASP 122 N -3.69 1.15 0.00 2.28 -0.08 0.38 -4.76 116.55 111.83 1cf4 n ASP 122 Ca -0.14 0.15 0.07 0.00 -1.51 0.00 0.00 54.79 53.36 1cf4 n ASP 122 Cb 1.06 -1.13 0.35 0.00 2.34 0.00 0.00 41.12 43.73 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 8.41 0.14 0.00 -0.67 -0.04 -1.26 -2.44 135.00 139.14 1cf4 n PRO 123 Ca 0.53 0.19 -0.01 0.00 -0.04 0.00 0.00 63.50 64.17 1cf4 n PRO 123 Cb 0.17 -1.50 -0.00 0.00 -0.04 0.00 0.00 33.50 32.13 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 -0.04 -0.94 3.54 0.87 -1.94 -2.73 113.55 112.32 1cf4 h SER 124 Ca 0.00 0.00 0.08 0.00 -1.23 0.00 0.00 61.79 60.64 1cf4 h SER 124 Cb 0.17 0.01 -0.07 0.00 -0.44 0.00 0.00 62.40 62.08 1cf4 h SER 124 CO 0.00 0.13 0.61 0.74 -0.53 0.00 0.00 176.83 177.78 1cf4 h THR 125 N -0.37 1.03 -0.64 2.23 2.02 -1.92 -0.53 112.91 114.74 1cf4 h THR 125 Ca -0.01 -0.35 0.10 0.00 0.77 0.00 0.00 66.41 66.92 1cf4 h THR 125 Cb 0.04 -0.09 -0.08 0.00 -1.74 0.00 0.00 68.15 66.28 1cf4 h THR 125 CO 0.01 0.19 0.24 -0.29 0.37 0.00 0.00 175.52 176.04 1cf4 h ILE 126 N 1.03 0.75 -0.80 3.11 6.09 -1.61 0.14 117.51 126.23 1cf4 h ILE 126 Ca 0.42 -0.14 0.07 0.00 -1.37 0.00 0.00 64.86 63.83 1cf4 h ILE 126 Cb 0.27 0.30 -0.05 0.00 0.47 0.00 0.00 36.82 37.81 1cf4 h ILE 126 CO -0.17 0.08 0.52 -0.33 -3.07 0.00 0.00 178.15 175.17 1cf4 h GLU 127 N 0.42 0.83 -0.01 2.19 5.08 -0.76 0.28 114.58 122.61 1cf4 h GLU 127 Ca 0.33 -0.05 -0.04 0.00 -1.00 0.00 0.00 59.36 58.60 1cf4 h GLU 127 Cb 0.42 -0.19 -0.01 0.00 0.50 0.00 0.00 28.75 29.47 1cf4 h GLU 127 CO -0.32 0.55 -0.18 0.87 -1.00 0.00 0.00 179.01 178.93 1cf4 h LYS 128 N 0.86 0.01 -0.05 2.33 6.56 -0.45 -1.09 116.57 124.74 1cf4 h LYS 128 Ca 0.34 -0.00 -0.23 0.00 -1.06 0.00 0.00 60.65 59.70 1cf4 h LYS 128 Cb 0.24 -0.00 0.01 0.00 -0.57 0.00 0.00 32.23 31.91 1cf4 h LYS 128 CO -0.12 0.19 -0.90 -0.07 -2.06 0.00 0.00 179.45 176.49 1cf4 h LEU 129 N 0.01 0.76 -1.64 2.94 3.38 0.13 -3.14 115.31 117.75 1cf4 h LEU 129 Ca 0.00 -0.56 0.40 0.00 0.09 0.00 0.00 57.88 57.81 1cf4 h LEU 129 Cb 0.32 -0.23 -0.09 0.00 0.09 0.00 0.00 40.66 40.75 1cf4 h LEU 129 CO 0.02 1.35 0.90 0.00 0.09 0.00 0.00 178.44 180.81 1cf4 h ALA 130 N 0.61 2.90 -1.03 1.53 0.00 0.49 1.47 119.26 125.23 1cf4 h ALA 130 Ca -0.08 0.03 0.27 0.00 0.00 0.00 0.00 54.91 55.13 1cf4 h ALA 130 Cb 1.53 0.13 -0.08 0.00 0.00 0.00 0.00 17.79 19.37 1cf4 h ALA 130 CO 0.17 -1.39 0.69 0.87 0.00 0.00 0.00 179.25 179.59 1cf4 h LYS 131 N 0.12 0.28 0.00 0.00 1.79 -1.49 -3.16 116.57 114.12 1cf4 h LYS 131 Ca 0.72 -0.02 0.00 0.00 -2.18 0.00 0.00 60.65 59.18 1cf4 h LYS 131 Cb 2.44 -0.06 0.00 0.00 -1.58 0.00 0.00 32.23 33.03 1cf4 h LYS 131 CO -0.22 0.18 -0.83 0.09 -1.08 0.00 0.00 179.45 177.59 1cf4 n ASN 132 N -4.49 4.09 0.00 0.86 3.02 0.21 -5.09 115.26 113.86 1cf4 n ASN 132 Ca 0.24 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.79 1cf4 n ASN 132 Cb 0.93 0.38 0.00 0.00 -0.61 0.00 0.00 39.78 40.48 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 -1.80 0.00 0.00 3.52 4.76 0.44 -4.73 118.16 120.34 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 -2.05 1.97 10.64 -1.21 -3.86 117.38 122.86 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 3.44 0.08 2.61 1.02 -1.26 -4.83 119.74 120.81 1cf4 s LYS 135 Ca 0.00 1.42 -0.30 0.00 0.02 0.00 0.00 55.97 57.11 1cf4 s LYS 135 Cb 0.00 -4.15 -0.05 0.00 -0.52 0.00 0.00 37.83 33.11 1cf4 s LYS 135 CO 0.00 -1.73 0.95 -1.25 -0.92 0.00 0.00 175.35 172.40 1cf4 s PRO 136 N 5.41 4.66 -0.68 -1.68 0.04 -1.26 -4.66 135.00 136.83 1cf4 s PRO 136 Ca 0.77 1.42 -0.26 0.00 0.04 0.00 0.00 61.00 62.96 1cf4 s PRO 136 Cb -0.22 -3.39 -0.05 0.00 0.04 0.00 0.00 34.50 30.88 1cf4 s PRO 136 CO 0.33 0.17 2.03 0.42 0.04 0.00 0.00 177.00 179.99 1cf4 s ILE 137 N 0.19 3.29 0.63 0.56 -1.09 -1.20 -4.95 121.20 118.62 1cf4 s ILE 137 Ca 0.47 0.01 -0.09 0.00 -2.23 0.00 0.00 60.65 58.81 1cf4 s ILE 137 Cb -0.23 -3.71 0.00 0.00 -1.58 0.00 0.00 42.46 36.94 1cf4 s ILE 137 CO 0.29 -0.69 0.99 0.42 -1.23 0.00 0.00 174.94 174.72 1cf4 s THR 138 N 10.39 3.82 0.33 2.92 -4.23 -1.26 -4.54 115.64 123.07 1cf4 s THR 138 Ca 0.75 0.33 0.11 0.00 -1.18 0.00 0.00 61.69 61.70 1cf4 s THR 138 Cb -0.12 -3.55 0.32 0.00 1.34 0.00 0.00 72.50 70.49 1cf4 s THR 138 CO 0.15 -0.65 1.68 -0.65 -0.54 0.00 0.00 174.62 174.61 1cf4 h PRO 139 N -0.36 0.39 0.08 3.99 0.11 -1.95 -0.02 132.00 134.23 1cf4 h PRO 139 Ca -0.45 -0.02 0.01 0.00 0.11 0.00 0.00 66.00 65.65 1cf4 h PRO 139 Cb 1.24 -0.09 -0.02 0.00 0.11 0.00 0.00 31.00 32.25 1cf4 h PRO 139 CO 0.62 0.26 -0.14 0.93 -0.21 0.00 0.00 178.00 179.46 1cf4 h GLU 140 N 0.40 -0.26 0.04 1.05 4.39 -1.99 0.48 114.58 118.68 1cf4 h GLU 140 Ca 0.68 0.02 0.02 0.00 0.34 0.00 0.00 59.36 60.42 1cf4 h GLU 140 Cb 1.45 0.06 -0.02 0.00 -0.10 0.00 0.00 28.75 30.14 1cf4 h GLU 140 CO -0.57 -0.18 -0.13 1.15 -1.16 0.00 0.00 179.01 178.12 1cf4 h THR 141 N -0.27 0.68 -0.11 1.13 2.02 -1.39 -2.17 112.91 112.80 1cf4 h THR 141 Ca 0.02 0.00 0.04 0.00 0.77 0.00 0.00 66.41 67.24 1cf4 h THR 141 Cb 0.29 0.68 -0.05 0.00 -1.74 0.00 0.00 68.15 67.33 1cf4 h THR 141 CO -0.08 0.00 -0.19 0.00 0.37 0.00 0.00 175.52 175.62 1cf4 h ALA 142 N 0.67 -0.15 -0.92 6.16 0.00 -1.17 -0.23 119.26 123.61 1cf4 h ALA 142 Ca 0.03 0.04 0.24 0.00 0.00 0.00 0.00 54.91 55.22 1cf4 h ALA 142 Cb 0.28 0.38 -0.05 0.00 0.00 0.00 0.00 17.79 18.39 1cf4 h ALA 142 CO -0.10 -0.65 0.63 1.49 0.00 0.00 0.00 179.25 180.62 1cf4 h GLU 143 N -0.26 0.19 0.62 0.00 4.81 -0.67 0.44 114.58 119.70 1cf4 h GLU 143 Ca 0.09 -0.01 -0.03 0.00 -0.13 0.00 0.00 59.36 59.28 1cf4 h GLU 143 Cb 0.39 -0.04 0.01 0.00 0.63 0.00 0.00 28.75 29.73 1cf4 h GLU 143 CO -0.26 0.12 -0.30 -0.22 -0.73 0.00 0.00 179.01 177.63 1cf4 h LYS 144 N 0.19 -0.80 -0.62 1.92 3.64 -0.40 -1.09 116.57 119.42 1cf4 h LYS 144 Ca 0.46 0.05 -0.00 0.00 -1.27 0.00 0.00 60.65 59.89 1cf4 h LYS 144 Cb 1.51 0.18 -0.03 0.00 -0.41 0.00 0.00 32.23 33.48 1cf4 h LYS 144 CO -0.10 -0.53 0.37 1.25 -2.27 0.00 0.00 179.45 178.16 1cf4 h LEU 145 N -1.10 0.74 -0.76 5.20 6.46 -0.87 1.22 115.31 126.21 1cf4 h LEU 145 Ca -0.09 -0.04 -0.02 0.00 -0.12 0.00 0.00 57.88 57.62 1cf4 h LEU 145 Cb 0.64 -0.19 -0.04 0.00 -0.73 0.00 0.00 40.66 40.35 1cf4 h LEU 145 CO 0.14 0.58 0.40 0.00 -0.62 0.00 0.00 178.44 178.93 1cf4 h ALA 146 N 1.55 0.97 0.00 1.25 0.00 -0.16 -0.63 119.26 122.24 1cf4 h ALA 146 Ca 0.22 -0.13 -0.16 0.00 0.00 0.00 0.00 54.91 54.85 1cf4 h ALA 146 Cb -0.02 -0.30 -0.03 0.00 0.00 0.00 0.00 17.79 17.44 1cf4 h ALA 146 CO -0.04 0.50 -1.20 0.00 0.00 0.00 0.00 179.25 178.51 1cf4 h ARG 147 N 1.05 0.00 -0.41 0.00 3.08 -0.56 -0.64 114.38 116.90 1cf4 h ARG 147 Ca 0.26 0.00 -0.10 0.00 0.07 0.00 0.00 59.98 60.22 1cf4 h ARG 147 Cb 0.06 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.10 1cf4 h ARG 147 CO -0.04 0.36 -0.12 0.22 -1.07 0.00 0.00 179.97 179.32 1cf4 h ASP 148 N 0.00 0.81 -0.42 7.04 3.58 0.18 -2.81 116.42 124.80 1cf4 h ASP 148 Ca -0.12 -0.37 0.00 0.00 0.42 0.00 0.00 57.03 56.95 1cf4 h ASP 148 Cb 1.55 -0.22 0.00 0.00 1.72 0.00 0.00 39.33 42.37 1cf4 h ASP 148 CO 0.05 1.00 0.00 -0.11 -2.88 0.00 0.00 179.24 177.30 1cf4 n LEU 149 N -4.30 3.58 -3.35 2.28 -0.00 -0.27 -4.90 117.00 110.04 1cf4 n LEU 149 Ca -0.01 -1.81 -0.22 0.00 -0.00 0.00 0.00 56.01 53.97 1cf4 n LEU 149 Cb 0.38 -0.52 -0.01 0.00 -0.00 0.00 0.00 43.42 43.27 1cf4 n LEU 149 CO 0.43 0.55 -0.06 0.29 -0.00 0.00 0.00 177.39 178.61 1cf4 n LYS 150 N 0.60 -2.89 0.00 1.96 5.02 -1.06 -4.88 118.16 116.91 1cf4 n LYS 150 Ca 0.18 0.36 0.00 0.00 -2.02 0.00 0.00 58.31 56.83 1cf4 n LYS 150 Cb 0.71 -5.02 0.00 0.00 -0.02 0.00 0.00 35.03 30.70 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 -3.37 0.00 -0.57 7.82 0.00 -0.25 -4.86 120.51 119.29 1cf4 n ALA 151 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1cf4 n ALA 151 Cb 0.53 0.04 0.00 0.00 0.00 0.00 0.00 19.45 20.02 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 -0.47 0.00 -3.18 0.00 0.31 -1.03 -3.93 118.33 110.02 1cf4 n VAL 152 Ca 0.00 0.00 0.05 0.00 -0.01 0.00 0.00 64.34 64.38 1cf4 n VAL 152 Cb 0.00 0.00 -0.03 0.00 -0.91 0.00 0.00 33.84 32.90 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 -0.43 0.10 -0.52 5.55 2.47 -1.26 -4.68 119.74 120.96 1cf4 s LYS 153 Ca 0.00 0.20 -0.23 0.00 -1.56 0.00 0.00 55.97 54.38 1cf4 s LYS 153 Cb 0.00 0.12 0.04 0.00 -1.46 0.00 0.00 37.83 36.53 1cf4 s LYS 153 CO 0.00 -0.08 0.86 -0.47 0.16 0.00 0.00 175.35 175.82 1cf4 s TYR 154 N 2.69 2.88 0.54 4.03 6.14 -1.26 -4.32 117.35 128.04 1cf4 s TYR 154 Ca -0.04 -0.04 0.09 0.00 0.64 0.00 0.00 57.07 57.72 1cf4 s TYR 154 Cb -0.07 -3.91 0.07 0.00 0.42 0.00 0.00 41.96 38.47 1cf4 s TYR 154 CO -0.11 -1.22 0.69 0.08 0.64 0.00 0.00 175.55 175.62 1cf4 s VAL 155 N 3.62 2.21 -0.30 3.14 1.01 -1.26 -4.79 120.40 124.04 1cf4 s VAL 155 Ca 0.28 -1.09 -0.12 0.00 0.00 0.00 0.00 61.98 61.06 1cf4 s VAL 155 Cb -0.13 -2.29 -0.04 0.00 0.00 0.00 0.00 36.38 33.91 1cf4 s VAL 155 CO 0.19 0.00 0.23 -1.61 0.00 0.00 0.00 175.10 173.91 1cf4 s GLU 156 N -4.55 3.84 -0.29 2.72 2.02 -1.26 -3.49 118.70 117.69 1cf4 s GLU 156 Ca 0.56 -0.36 -0.14 0.00 0.02 0.00 0.00 54.97 55.05 1cf4 s GLU 156 Cb -0.06 -3.70 0.10 0.00 0.10 0.00 0.00 34.13 30.57 1cf4 s GLU 156 CO 0.35 -0.26 0.68 0.00 0.02 0.00 0.00 175.26 176.05 1cf4 s SER 158 N 2.09 4.49 -0.13 0.00 0.15 -1.25 -2.58 113.70 116.46 1cf4 s SER 158 Ca -0.09 -0.58 0.08 0.00 0.70 0.00 0.00 55.95 56.06 1cf4 s SER 158 Cb -0.07 -0.83 -0.14 0.00 -1.71 0.00 0.00 66.02 63.27 1cf4 s SER 158 CO -0.20 0.05 -0.02 0.00 1.20 0.00 0.00 173.24 174.28 1cf4 n ALA 159 N -0.43 1.68 -0.06 5.45 0.00 -1.26 -1.55 120.51 124.34 1cf4 n ALA 159 Ca -0.08 -0.77 -0.08 0.00 0.00 0.00 0.00 53.44 52.50 1cf4 n ALA 159 Cb 0.57 0.04 0.08 0.00 0.00 0.00 0.00 19.45 20.14 1cf4 n ALA 159 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 1cf4 h LEU 160 N 0.00 0.74 0.00 0.00 4.07 -1.94 -3.29 115.31 114.88 1cf4 h LEU 160 Ca -0.34 -0.30 0.00 0.00 0.08 0.00 0.00 57.88 57.32 1cf4 h LEU 160 Cb 1.69 -0.21 0.00 0.00 1.08 0.00 0.00 40.66 43.22 1cf4 h LEU 160 CO -0.01 1.00 -1.34 1.07 -1.08 0.00 0.00 178.44 178.08 1cf4 n THR 161 N -4.08 0.00 -1.84 0.22 5.66 -1.26 -5.06 114.28 107.92 1cf4 n THR 161 Ca -0.01 -0.24 -0.01 0.00 -3.05 0.00 0.00 64.05 60.74 1cf4 n THR 161 Cb 0.48 0.36 0.01 0.00 -1.55 0.00 0.00 70.33 69.62 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 -1.78 -0.35 -0.96 1.09 7.27 -1.04 -4.95 117.38 116.67 1cf4 n GLN 162 Ca -0.01 0.53 -0.20 0.00 0.07 0.00 0.00 57.00 57.38 1cf4 n GLN 162 Cb 0.25 -2.41 0.06 0.00 2.41 0.00 0.00 30.24 30.55 1cf4 n GLN 162 CO 0.00 0.00 0.00 1.17 0.07 0.00 0.00 177.06 178.30 1cf4 n LYS 163 N -1.41 1.98 -1.08 3.69 4.81 -0.60 -4.73 118.16 120.83 1cf4 n LYS 163 Ca -0.01 -1.98 0.00 0.00 -0.87 0.00 0.00 58.31 55.45 1cf4 n LYS 163 Cb 0.51 -1.78 0.00 0.00 0.02 0.00 0.00 35.03 33.78 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 -0.08 0.52 0.51 3.14 0.00 -1.26 -3.83 105.19 104.20 1cf4 n GLY 164 Ca 0.38 -0.26 0.34 0.00 0.00 0.00 0.00 46.02 46.48 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 0.10 -0.96 0.99 3.38 -1.85 0.84 115.31 117.81 1cf4 h LEU 165 Ca 0.00 0.02 -0.11 0.00 0.09 0.00 0.00 57.88 57.89 1cf4 h LEU 165 Cb 0.53 0.01 -0.02 0.00 0.09 0.00 0.00 40.66 41.27 1cf4 h LEU 165 CO 0.00 0.01 -0.51 0.07 0.09 0.00 0.00 178.44 178.10 1cf4 h LYS 166 N 0.08 0.00 0.00 1.13 2.10 -1.94 -2.72 116.57 115.22 1cf4 h LYS 166 Ca 0.60 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 59.25 1cf4 h LYS 166 Cb 2.22 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 33.55 1cf4 h LYS 166 CO -0.09 0.51 0.00 -1.71 -2.00 0.00 0.00 179.45 176.16 1cf4 n ASN 167 N -3.88 0.00 0.01 7.07 5.15 0.29 0.16 115.26 124.06 1cf4 n ASN 167 Ca -0.01 0.88 -0.10 0.00 -0.60 0.00 0.00 54.58 54.75 1cf4 n ASN 167 Cb 0.53 -0.38 -0.05 0.00 -0.53 0.00 0.00 39.78 39.35 1cf4 n ASN 167 CO 0.00 0.00 0.00 0.58 1.40 0.00 0.00 177.26 179.24 1cf4 h VAL 168 N 0.00 0.85 -0.54 3.44 2.07 -1.68 -0.84 116.25 119.55 1cf4 h VAL 168 Ca 0.00 0.00 0.16 0.00 0.82 0.00 0.00 66.70 67.68 1cf4 h VAL 168 Cb 0.00 0.85 -0.02 0.00 -1.52 0.00 0.00 31.29 30.60 1cf4 h VAL 168 CO 0.00 0.00 0.40 0.15 0.02 0.00 0.00 177.57 178.14 1cf4 h PHE 169 N -0.05 0.00 0.00 1.57 3.57 -1.43 0.64 116.94 121.23 1cf4 h PHE 169 Ca 0.05 0.00 -0.12 0.00 3.53 0.00 0.00 57.97 61.43 1cf4 h PHE 169 Cb 0.12 0.00 -0.02 0.00 2.79 0.00 0.00 35.95 38.84 1cf4 h PHE 169 CO -0.16 0.00 -0.58 -0.44 -2.23 0.00 0.00 178.31 174.90 1cf4 h ASP 170 N 0.00 0.00 0.58 0.41 3.32 0.30 -2.73 116.42 118.30 1cf4 h ASP 170 Ca 0.26 0.00 -0.16 0.00 0.02 0.00 0.00 57.03 57.15 1cf4 h ASP 170 Cb 1.06 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 40.59 1cf4 h ASP 170 CO -0.00 0.58 -0.72 -0.33 -1.72 0.00 0.00 179.24 177.05 1cf4 h GLU 171 N 0.00 0.11 -0.10 3.56 4.39 0.85 -0.01 114.58 123.39 1cf4 h GLU 171 Ca -0.01 -0.10 -0.02 0.00 0.34 0.00 0.00 59.36 59.57 1cf4 h GLU 171 Cb 1.07 0.02 -0.00 0.00 -0.10 0.00 0.00 28.75 29.74 1cf4 h GLU 171 CO 0.08 0.78 -0.03 0.00 -1.16 0.00 0.00 179.01 178.67 1cf4 h ALA 172 N 1.19 0.13 -0.02 3.43 0.00 -1.08 -3.04 119.26 119.86 1cf4 h ALA 172 Ca -0.02 -0.23 -0.16 0.00 0.00 0.00 0.00 54.91 54.50 1cf4 h ALA 172 Cb 1.27 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 19.01 1cf4 h ALA 172 CO 0.10 -0.12 -0.71 -0.84 0.00 0.00 0.00 179.25 177.68 1cf4 h ILE 173 N -0.15 1.46 -0.26 0.00 -0.00 -1.52 -3.27 117.51 113.77 1cf4 h ILE 173 Ca 0.02 -2.30 0.06 0.00 -0.00 0.00 0.00 64.86 62.64 1cf4 h ILE 173 Cb 0.46 2.23 -0.07 0.00 -0.00 0.00 0.00 36.82 39.43 1cf4 h ILE 173 CO 0.01 0.67 -0.28 0.25 -0.00 0.00 0.00 178.15 178.80 1cf4 h LEU 174 N 0.10 -0.92 -1.83 0.16 5.85 -0.94 0.38 115.31 118.10 1cf4 h LEU 174 Ca -0.02 0.16 0.14 0.00 0.84 0.00 0.00 57.88 59.00 1cf4 h LEU 174 Cb 1.26 0.42 -0.02 0.00 0.37 0.00 0.00 40.66 42.69 1cf4 h LEU 174 CO 0.10 -0.31 0.56 0.00 -0.34 0.00 0.00 178.44 178.45 1cf4 h ALA 175 N 0.69 2.20 0.03 1.25 0.00 -1.58 0.50 119.26 122.34 1cf4 h ALA 175 Ca 0.14 -0.02 -0.11 0.00 0.00 0.00 0.00 54.91 54.92 1cf4 h ALA 175 Cb 0.51 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.32 1cf4 h ALA 175 CO -0.42 -0.81 -0.57 0.00 0.00 0.00 0.00 179.25 177.46 1cf4 h ALA 176 N 1.33 0.08 0.00 0.00 0.00 -0.48 -3.34 119.26 116.85 1cf4 h ALA 176 Ca 0.23 -0.77 -0.03 0.00 0.00 0.00 0.00 54.91 54.34 1cf4 h ALA 176 Cb 1.35 0.25 -0.00 0.00 0.00 0.00 0.00 17.79 19.38 1cf4 h ALA 176 CO -0.00 0.31 -0.16 -0.07 0.00 0.00 0.00 179.25 179.33 1cf4 h LEU 177 N -0.85 0.00 -7.31 0.00 3.38 0.62 -3.44 115.31 107.71 1cf4 h LEU 177 Ca -0.14 0.00 -0.11 0.00 0.09 0.00 0.00 57.88 57.72 1cf4 h LEU 177 Cb 1.23 0.00 -0.23 0.00 0.09 0.00 0.00 40.66 41.76 1cf4 h LEU 177 CO -0.03 0.16 -0.19 -0.70 0.09 0.00 0.00 178.44 177.77 1cf4 s GLU 178 N -3.85 0.58 -0.19 1.13 -6.30 0.16 -5.02 118.70 105.20 1cf4 s GLU 178 Ca -0.01 0.43 -0.36 0.00 -2.50 0.00 0.00 54.97 52.53 1cf4 s GLU 178 Cb 0.11 0.27 -0.12 0.00 0.00 0.00 0.00 34.13 34.39 1cf4 s GLU 178 CO 0.60 -0.10 1.92 -0.35 0.02 0.00 0.00 175.26 177.35 1cf4 n PRO 179 N 2.41 1.72 -1.59 4.30 -0.04 -1.26 -3.73 135.00 136.80 1cf4 n PRO 179 Ca -0.15 0.60 -0.33 0.00 -0.04 0.00 0.00 63.50 63.58 1cf4 n PRO 179 Cb 0.57 -2.50 0.07 0.00 -0.04 0.00 0.00 33.50 31.59 1cf4 n PRO 179 CO 0.00 0.00 0.00 -1.25 -0.04 0.00 0.00 175.50 174.21 1cf4 s PRO 180 N 4.44 2.49 -0.31 0.54 0.04 -1.26 -4.97 135.00 135.98 1cf4 s PRO 180 Ca 0.98 1.52 0.01 0.00 0.04 0.00 0.00 61.00 63.54 1cf4 s PRO 180 Cb -0.80 -1.90 0.14 0.00 0.04 0.00 0.00 34.50 31.98 1cf4 s PRO 180 CO 0.54 -1.51 0.33 -1.21 0.04 0.00 0.00 177.00 175.19 1cf4 s GLU 181 N -4.07 0.40 0.00 4.56 2.02 -1.26 -5.12 118.70 115.23 1cf4 s GLU 181 Ca 0.69 -0.25 0.00 0.00 0.02 0.00 0.00 54.97 55.44 1cf4 s GLU 181 Cb -0.23 -0.62 0.00 0.00 0.10 0.00 0.00 34.13 33.38 1cf4 s GLU 181 CO 0.44 -1.06 0.00 -0.35 0.02 0.00 0.00 175.26 174.30 1cf4 n PRO 182 N 5.11 0.25 -4.16 0.39 -0.04 -1.26 -5.11 135.00 130.17 1cf4 n PRO 182 Ca 0.01 0.00 -0.12 0.00 -0.04 0.00 0.00 63.50 63.35 1cf4 n PRO 182 Cb 0.46 0.00 -0.10 0.00 -0.04 0.00 0.00 33.50 33.82 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 -1.53 0.81 0.00 0.54 -0.14 -1.26 -5.21 119.74 112.95 1cf4 s LYS 183 Ca 0.00 -1.22 0.00 0.00 -1.36 0.00 0.00 55.97 53.39 1cf4 s LYS 183 Cb 0.00 -0.33 0.00 0.00 -1.68 0.00 0.00 37.83 35.82 1cf4 s LYS 183 CO 0.00 0.02 0.39 1.63 -0.76 0.00 0.00 175.35 176.64