#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3cf5 s THR 31 N 0.00 2.86 0.57 3.15 -4.23 -1.26 -4.95 115.64 111.77 3cf5 s THR 31 Ca 0.00 0.87 -0.18 0.00 -1.18 0.00 0.00 61.69 61.20 3cf5 s THR 31 Cb 0.00 -3.55 -0.14 0.00 1.34 0.00 0.00 72.50 70.14 3cf5 s THR 31 CO 0.00 0.21 -0.15 0.00 -0.54 0.00 0.00 174.62 174.13 3cf5 n TYR 32 N 0.87 -3.00 -0.10 3.99 9.36 -1.26 -5.08 117.16 121.95 3cf5 n TYR 32 Ca -0.00 0.40 0.00 0.00 3.32 0.00 0.00 57.90 61.62 3cf5 n TYR 32 Cb 0.42 -1.68 0.00 0.00 -0.63 0.00 0.00 39.34 37.45 3cf5 n TYR 32 CO 0.00 0.00 0.00 0.44 0.22 0.00 0.00 176.86 177.52 3cf5 n ILE 33 N -1.64 0.00 -4.29 2.97 -6.64 -1.26 -5.07 119.36 103.43 3cf5 n ILE 33 Ca 0.07 0.00 -0.16 0.00 -1.77 0.00 0.00 62.75 60.89 3cf5 n ILE 33 Cb 0.48 0.00 -0.10 0.00 -1.44 0.00 0.00 39.64 38.58 3cf5 n ILE 33 CO 0.00 0.00 0.00 -2.16 -1.77 0.00 0.00 176.55 172.62 3cf5 s PRO 34 N 2.65 1.20 0.00 6.28 0.04 -1.26 -4.67 135.00 139.24 3cf5 s PRO 34 Ca 0.00 -1.56 0.00 0.00 0.04 0.00 0.00 61.00 59.48 3cf5 s PRO 34 Cb 0.00 -0.63 0.00 0.00 0.04 0.00 0.00 34.50 33.91 3cf5 s PRO 34 CO 0.00 -0.00 0.00 1.63 0.04 0.00 0.00 177.00 178.67 3cf5 n LYS 35 N -0.31 3.32 0.00 4.56 4.76 -1.26 -5.08 118.16 124.15 3cf5 n LYS 35 Ca -0.08 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.36 3cf5 n LYS 35 Cb 0.62 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 33.81 3cf5 n LYS 35 CO 0.00 0.00 0.00 0.27 -1.37 0.00 0.00 177.40 176.30 3cf5 n ASN 36 N 0.00 0.00 -0.30 4.39 6.94 -1.26 -4.98 115.26 120.05 3cf5 n ASN 36 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 54.58 54.56 3cf5 n ASN 36 Cb 0.00 0.00 0.00 0.00 -2.36 0.00 0.00 39.78 37.42 3cf5 n ASN 36 CO 0.00 0.00 0.00 0.47 -1.03 0.00 0.00 177.26 176.70 3cf5 n ASP 37 N 0.00 0.00 -4.04 0.53 9.92 -1.26 -4.18 116.55 117.51 3cf5 n ASP 37 Ca 0.00 0.00 -0.19 0.00 -0.53 0.00 0.00 54.79 54.07 3cf5 n ASP 37 Cb 0.00 0.00 -0.15 0.00 -0.64 0.00 0.00 41.12 40.33 3cf5 n ASP 37 CO 0.00 0.00 0.00 -1.61 0.13 0.00 0.00 177.20 175.72 3cf5 s GLU 38 N -0.12 0.80 -0.38 -1.24 2.02 -1.26 -5.04 118.70 113.48 3cf5 s GLU 38 Ca 0.00 -0.39 0.12 0.00 0.02 0.00 0.00 54.97 54.72 3cf5 s GLU 38 Cb 0.00 -0.77 0.40 0.00 0.10 0.00 0.00 34.13 33.87 3cf5 s GLU 38 CO 0.00 0.21 1.18 0.00 0.02 0.00 0.00 175.26 176.67 3cf5 n GLN 39 N 2.74 1.16 -0.76 1.61 10.64 -1.26 -5.07 117.38 126.43 3cf5 n GLN 39 Ca -0.14 -2.35 -0.28 0.00 -1.83 0.00 0.00 57.00 52.40 3cf5 n GLN 39 Cb 0.56 -0.58 -0.03 0.00 -0.86 0.00 0.00 30.24 29.34 3cf5 n GLN 39 CO 0.00 0.00 0.00 -1.71 -1.83 0.00 0.00 177.06 173.52 3cf5 n ASN 40 N -0.31 -0.39 -3.77 2.61 2.85 -1.26 -4.52 115.26 110.47 3cf5 n ASN 40 Ca 0.03 0.60 -0.30 0.00 -0.11 0.00 0.00 54.58 54.80 3cf5 n ASN 40 Cb 0.82 -0.49 -0.15 0.00 1.24 0.00 0.00 39.78 41.20 3cf5 n ASN 40 CO 0.00 0.00 0.00 0.86 -2.11 0.00 0.00 177.26 176.01 3cf5 s TRP 41 N -0.31 2.04 0.27 1.20 -0.11 -1.26 -0.91 118.94 119.87 3cf5 s TRP 41 Ca 0.40 -2.00 -0.05 0.00 1.22 0.00 0.00 56.10 55.67 3cf5 s TRP 41 Cb -0.56 -1.92 -0.05 0.00 -1.50 0.00 0.00 33.47 29.44 3cf5 s TRP 41 CO 0.30 -0.88 0.54 0.08 -4.62 0.00 0.00 176.95 172.37 3cf5 s VAL 42 N 1.37 5.03 -0.60 5.86 1.01 -0.92 -0.61 120.40 131.55 3cf5 s VAL 42 Ca 0.11 0.05 0.05 0.00 0.00 0.00 0.00 61.98 62.20 3cf5 s VAL 42 Cb -0.18 -3.72 0.19 0.00 0.00 0.00 0.00 36.38 32.67 3cf5 s VAL 42 CO -0.20 -0.28 0.52 0.52 0.00 0.00 0.00 175.10 175.66 3cf5 n VAL 43 N -0.83 0.99 -0.92 2.92 0.31 -0.26 -1.20 118.33 119.33 3cf5 n VAL 43 Ca -0.02 -4.57 -0.32 0.00 -0.01 0.00 0.00 64.34 59.42 3cf5 n VAL 43 Cb 0.54 -2.04 0.14 0.00 -0.91 0.00 0.00 33.84 31.57 3cf5 n VAL 43 CO 0.00 0.00 0.00 -0.69 -1.32 0.00 0.00 176.83 174.82 3cf5 s VAL 44 N -1.35 2.15 -0.01 2.52 1.01 -1.03 -4.32 120.40 119.38 3cf5 s VAL 44 Ca 0.31 0.06 0.06 0.00 0.00 0.00 0.00 61.98 62.41 3cf5 s VAL 44 Cb 0.04 -2.27 -0.03 0.00 0.00 0.00 0.00 36.38 34.12 3cf5 s VAL 44 CO -0.14 -0.06 -0.20 -0.62 0.00 0.00 0.00 175.10 174.09 3cf5 s ASP 45 N -2.50 3.58 0.02 3.32 -1.08 -1.26 -3.08 116.67 115.67 3cf5 s ASP 45 Ca 0.69 -0.38 0.22 0.00 -0.52 0.00 0.00 52.55 52.56 3cf5 s ASP 45 Cb -0.25 -0.57 -0.13 0.00 -1.46 0.00 0.00 42.92 40.51 3cf5 s ASP 45 CO 0.54 0.30 0.85 0.00 0.52 0.00 0.00 175.17 177.39 3cf5 n ALA 46 N 2.08 3.66 -1.36 3.66 0.00 -1.16 -4.67 120.51 122.72 3cf5 n ALA 46 Ca -0.16 -0.49 -0.54 0.00 0.00 0.00 0.00 53.44 52.24 3cf5 n ALA 46 Cb 0.52 -0.86 -0.08 0.00 0.00 0.00 0.00 19.45 19.03 3cf5 n ALA 46 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 3cf5 n SER 47 N -1.90 0.93 -0.99 0.00 2.88 -1.26 -1.29 113.62 111.98 3cf5 n SER 47 Ca 0.01 0.91 -0.02 0.00 -1.33 0.00 0.00 58.87 58.44 3cf5 n SER 47 Cb 0.44 -0.71 -0.01 0.00 -0.75 0.00 0.00 64.21 63.18 3cf5 n SER 47 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 3cf5 n GLY 48 N 3.56 0.15 3.63 0.46 0.00 -0.53 -4.88 105.19 107.58 3cf5 n GLY 48 Ca 0.27 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.90 3cf5 n GLY 48 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3cf5 s VAL 49 N -1.08 5.11 -0.35 1.61 1.01 -0.41 -4.65 120.40 121.63 3cf5 s VAL 49 Ca 0.00 0.82 -0.43 0.00 0.00 0.00 0.00 61.98 62.38 3cf5 s VAL 49 Cb 0.00 -3.80 -0.17 0.00 0.00 0.00 0.00 36.38 32.41 3cf5 s VAL 49 CO 0.00 0.14 1.67 -0.81 0.00 0.00 0.00 175.10 176.10 3cf5 n PRO 50 N 5.17 0.68 -0.36 2.72 -0.04 -1.26 -2.95 135.00 138.97 3cf5 n PRO 50 Ca -0.06 0.25 0.04 0.00 -0.04 0.00 0.00 63.50 63.70 3cf5 n PRO 50 Cb 0.50 -1.86 0.12 0.00 -0.04 0.00 0.00 33.50 32.22 3cf5 n PRO 50 CO 0.00 0.00 0.00 -0.11 -0.04 0.00 0.00 175.50 175.35 3cf5 n LEU 51 N 4.73 -0.42 -0.24 1.53 7.94 -0.42 -1.34 117.00 128.78 3cf5 n LEU 51 Ca 0.28 1.71 0.04 0.00 -1.11 0.00 0.00 56.01 56.94 3cf5 n LEU 51 Cb 0.06 -0.49 0.17 0.00 0.53 0.00 0.00 43.42 43.68 3cf5 n LEU 51 CO 0.84 -1.62 0.96 1.23 -1.11 0.00 0.00 177.39 177.69 3cf5 h GLY 52 N 0.00 1.01 0.00 -3.96 0.00 -1.87 -0.29 103.07 97.96 3cf5 h GLY 52 Ca 0.45 -0.08 0.00 0.00 0.00 0.00 0.00 47.33 47.70 3cf5 h GLY 52 CO -1.01 -0.14 0.00 -2.13 0.00 0.00 0.00 176.54 173.25 3cf5 n ARG 53 N -5.09 0.00 -0.19 4.80 0.63 -0.45 -1.45 116.66 114.92 3cf5 n ARG 53 Ca 0.13 0.18 0.09 0.00 -0.92 0.00 0.00 57.85 57.33 3cf5 n ARG 53 Cb 0.41 -1.17 0.18 0.00 0.45 0.00 0.00 32.46 32.33 3cf5 n ARG 53 CO 0.00 0.00 0.00 -0.11 -2.51 0.00 0.00 177.63 175.01 3cf5 n LEU 54 N -1.03 -0.04 0.00 6.15 7.94 -1.21 0.12 117.00 128.94 3cf5 n LEU 54 Ca 0.00 0.93 0.00 0.00 -1.11 0.00 0.00 56.01 55.83 3cf5 n LEU 54 Cb 0.00 -0.35 0.00 0.00 0.53 0.00 0.00 43.42 43.60 3cf5 n LEU 54 CO 0.00 -0.96 0.16 0.00 -1.11 0.00 0.00 177.39 175.49 3cf5 n ALA 55 N -3.30 0.00 -0.29 1.96 0.00 -0.12 0.05 120.51 118.81 3cf5 n ALA 55 Ca 0.14 0.00 0.22 0.00 0.00 0.00 0.00 53.44 53.79 3cf5 n ALA 55 Cb 0.45 0.10 0.40 0.00 0.00 0.00 0.00 19.45 20.41 3cf5 n ALA 55 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 3cf5 n THR 56 N -0.53 -0.36 0.44 0.00 -1.04 0.32 0.75 114.28 113.86 3cf5 n THR 56 Ca 0.00 1.81 -0.18 0.00 -2.04 0.00 0.00 64.05 63.65 3cf5 n THR 56 Cb 0.00 -2.82 -0.08 0.00 -1.82 0.00 0.00 70.33 65.61 3cf5 n THR 56 CO 0.00 0.00 0.00 0.25 -0.64 0.00 0.00 175.07 174.68 3cf5 h LEU 57 N 0.00 -0.96 0.08 -4.42 5.85 -0.82 0.11 115.31 115.15 3cf5 h LEU 57 Ca 0.65 0.03 0.02 0.00 0.84 0.00 0.00 57.88 59.42 3cf5 h LEU 57 Cb 1.59 0.25 -0.05 0.00 0.37 0.00 0.00 40.66 42.82 3cf5 h LEU 57 CO -0.73 -0.61 -0.42 0.40 -0.34 0.00 0.00 178.44 176.75 3cf5 h ILE 58 N -1.29 0.15 -1.00 4.05 2.04 0.34 0.04 117.51 121.84 3cf5 h ILE 58 Ca -0.12 0.00 0.21 0.00 1.00 0.00 0.00 64.86 65.95 3cf5 h ILE 58 Cb 0.87 0.15 -0.19 0.00 -0.74 0.00 0.00 36.82 36.92 3cf5 h ILE 58 CO 0.19 0.00 -0.23 0.00 0.00 0.00 0.00 178.15 178.11 3cf5 h ALA 59 N -0.14 0.70 0.54 1.87 0.00 0.38 -2.08 119.26 120.53 3cf5 h ALA 59 Ca 0.03 0.39 -0.03 0.00 0.00 0.00 0.00 54.91 55.30 3cf5 h ALA 59 Cb 0.67 0.75 0.01 0.00 0.00 0.00 0.00 17.79 19.21 3cf5 h ALA 59 CO -0.27 -0.40 -0.26 0.77 0.00 0.00 0.00 179.25 179.10 3cf5 h SER 60 N 0.00 -0.62 0.04 0.00 0.02 0.11 -2.28 113.55 110.82 3cf5 h SER 60 Ca 0.49 -0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.44 3cf5 h SER 60 Cb 0.77 0.16 0.00 0.00 0.14 0.00 0.00 62.40 63.47 3cf5 h SER 60 CO -1.02 -0.40 0.00 0.54 -1.14 0.00 0.00 176.83 174.81 3cf5 n ARG 61 N -5.38 0.14 -0.05 3.45 1.74 -0.43 -0.97 116.66 115.17 3cf5 n ARG 61 Ca -0.12 0.62 -0.15 0.00 -0.77 0.00 0.00 57.85 57.43 3cf5 n ARG 61 Cb 0.31 -1.95 -0.13 0.00 -1.02 0.00 0.00 32.46 29.67 3cf5 n ARG 61 CO 0.00 0.00 0.00 0.82 -1.52 0.00 0.00 177.63 176.93 3cf5 h ILE 62 N 0.00 1.73 -0.20 0.55 2.04 -1.06 -0.32 117.51 120.25 3cf5 h ILE 62 Ca 0.00 -2.34 -0.09 0.00 1.00 0.00 0.00 64.86 63.43 3cf5 h ILE 62 Cb 0.02 3.31 -0.01 0.00 -0.74 0.00 0.00 36.82 39.40 3cf5 h ILE 62 CO 0.00 0.62 -0.26 -0.09 0.00 0.00 0.00 178.15 178.42 3cf5 h ARG 63 N -0.85 0.39 0.00 2.37 9.65 -0.76 -3.25 114.38 121.93 3cf5 h ARG 63 Ca -0.03 -0.14 0.00 0.00 -1.10 0.00 0.00 59.98 58.71 3cf5 h ARG 63 Cb 1.11 -0.02 0.00 0.00 -1.39 0.00 0.00 29.97 29.66 3cf5 h ARG 63 CO 0.03 0.62 0.00 0.41 2.80 0.00 0.00 179.97 183.83 3cf5 n GLY 64 N -0.42 2.17 0.00 2.80 0.00 -0.14 -4.30 105.19 105.30 3cf5 n GLY 64 Ca -0.01 -0.22 0.00 0.00 0.00 0.00 0.00 46.02 45.80 3cf5 n GLY 64 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 3cf5 n LYS 65 N 0.00 0.00 0.04 1.61 4.81 -1.20 -4.12 118.16 119.30 3cf5 n LYS 65 Ca 0.00 0.00 0.13 0.00 -0.87 0.00 0.00 58.31 57.57 3cf5 n LYS 65 Cb 0.00 -0.30 0.38 0.00 0.02 0.00 0.00 35.03 35.13 3cf5 n LYS 65 CO 0.00 0.00 0.00 0.72 1.17 0.00 0.00 177.40 179.29 3cf5 n HIS 66 N 0.00 0.38 -1.80 5.64 8.25 -1.26 -5.01 115.22 121.43 3cf5 n HIS 66 Ca 0.00 0.11 0.00 0.00 -0.26 0.00 0.00 57.72 57.57 3cf5 n HIS 66 Cb 0.00 -0.61 0.00 0.00 1.12 0.00 0.00 29.99 30.50 3cf5 n HIS 66 CO 0.00 0.00 0.00 0.54 0.64 0.00 0.00 176.34 177.52 3cf5 n ARG 67 N -1.85 -2.98 0.00 -0.41 1.74 -1.26 -4.81 116.66 107.09 3cf5 n ARG 67 Ca 0.05 2.12 0.00 0.00 -0.77 0.00 0.00 57.85 59.25 3cf5 n ARG 67 Cb 0.39 -2.54 0.00 0.00 -1.02 0.00 0.00 32.46 29.28 3cf5 n ARG 67 CO 0.00 0.00 0.00 -2.30 -1.52 0.00 0.00 177.63 173.81 3cf5 n PRO 68 N 1.29 0.00 0.00 5.56 -0.02 -1.26 -3.37 135.00 137.21 3cf5 n PRO 68 Ca 0.00 0.46 0.11 0.00 -2.02 0.00 0.00 63.50 62.05 3cf5 n PRO 68 Cb 0.00 -1.39 0.06 0.00 -0.02 0.00 0.00 33.50 32.16 3cf5 n PRO 68 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 3cf5 n ASP 69 N -1.79 0.95 -3.16 2.55 8.00 -1.26 -4.98 116.55 116.86 3cf5 n ASP 69 Ca 0.00 -0.79 -0.16 0.00 0.71 0.00 0.00 54.79 54.55 3cf5 n ASP 69 Cb 0.00 0.61 0.02 0.00 -0.02 0.00 0.00 41.12 41.73 3cf5 n ASP 69 CO 0.00 0.00 0.00 0.49 -0.39 0.00 0.00 177.20 177.30 3cf5 n PHE 70 N -1.26 -2.38 -3.79 1.24 0.99 -1.22 -4.95 117.46 106.09 3cf5 n PHE 70 Ca 0.06 1.00 -0.13 0.00 -0.00 0.00 0.00 57.45 58.38 3cf5 n PHE 70 Cb 0.35 -2.43 -0.11 0.00 -1.00 0.00 0.00 39.48 36.28 3cf5 n PHE 70 CO 0.00 0.00 0.00 -0.08 -0.00 0.00 0.00 176.76 176.68 3cf5 s THR 71 N -1.62 0.00 0.00 4.37 -1.32 -1.26 -5.09 115.64 110.72 3cf5 s THR 71 Ca 0.19 -0.02 0.00 0.00 -1.21 0.00 0.00 61.69 60.65 3cf5 s THR 71 Cb -0.03 -0.37 0.00 0.00 -1.51 0.00 0.00 72.50 70.59 3cf5 s THR 71 CO 0.61 -0.01 0.00 -2.65 -2.21 0.00 0.00 174.62 170.36 3cf5 n PRO 72 N 2.88 0.00 0.00 7.08 -0.02 -1.26 -4.28 135.00 139.40 3cf5 n PRO 72 Ca -0.13 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.35 3cf5 n PRO 72 Cb 0.58 -0.38 0.00 0.00 -0.02 0.00 0.00 33.50 33.68 3cf5 n PRO 72 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 3cf5 n ASN 73 N 0.00 0.00 -4.60 2.55 3.02 -1.26 -3.98 115.26 110.99 3cf5 n ASN 73 Ca 0.00 0.00 -0.24 0.00 -0.03 0.00 0.00 54.58 54.31 3cf5 n ASN 73 Cb 0.00 0.00 -0.09 0.00 -0.61 0.00 0.00 39.78 39.08 3cf5 n ASN 73 CO 0.00 0.00 0.00 -0.04 -2.62 0.00 0.00 177.26 174.60 3cf5 s MET 74 N 0.00 2.02 0.42 3.52 -1.94 -1.26 -5.04 119.30 117.02 3cf5 s MET 74 Ca 0.00 -1.73 -0.22 0.00 -1.71 0.00 0.00 55.69 52.03 3cf5 s MET 74 Cb 0.00 -1.91 -0.10 0.00 2.01 0.00 0.00 34.83 34.83 3cf5 s MET 74 CO 0.00 0.19 0.99 0.96 -0.01 0.00 0.00 175.02 177.15 3cf5 s ILE 75 N -2.50 4.10 0.00 2.53 -4.36 -1.26 -4.74 121.20 114.97 3cf5 s ILE 75 Ca 0.33 1.43 0.00 0.00 -0.26 0.00 0.00 60.65 62.15 3cf5 s ILE 75 Cb -0.01 -3.65 0.00 0.00 1.25 0.00 0.00 42.46 40.05 3cf5 s ILE 75 CO 0.18 -0.16 0.75 0.00 0.24 0.00 0.00 174.94 175.95 3cf5 n GLN 76 N -0.41 1.51 -1.60 0.37 1.13 -1.26 -5.05 117.38 112.07 3cf5 n GLN 76 Ca 0.06 -1.00 -0.47 0.00 -1.94 0.00 0.00 57.00 53.65 3cf5 n GLN 76 Cb 0.52 -0.77 -0.05 0.00 0.11 0.00 0.00 30.24 30.06 3cf5 n GLN 76 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 3cf5 n GLY 77 N -0.26 1.15 3.35 1.08 0.00 -1.22 -4.87 105.19 104.42 3cf5 n GLY 77 Ca 0.00 0.86 -0.35 0.00 0.00 0.00 0.00 46.02 46.53 3cf5 n GLY 77 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3cf5 n ASP 78 N 8.68 -2.59 -4.71 1.61 8.00 -0.13 -4.78 116.55 122.63 3cf5 n ASP 78 Ca 0.29 0.39 -0.40 0.00 0.71 0.00 0.00 54.79 55.77 3cf5 n ASP 78 Cb 0.32 -1.12 -0.04 0.00 -0.02 0.00 0.00 41.12 40.26 3cf5 n ASP 78 CO 0.00 0.00 0.00 -0.36 -0.39 0.00 0.00 177.20 176.45 3cf5 s PHE 79 N -2.18 3.57 -0.25 1.24 0.40 -0.09 -4.30 117.98 116.38 3cf5 s PHE 79 Ca 0.56 1.30 -0.06 0.00 -0.60 0.00 0.00 56.93 58.14 3cf5 s PHE 79 Cb -0.25 -2.86 -0.01 0.00 0.51 0.00 0.00 43.02 40.41 3cf5 s PHE 79 CO 0.67 0.05 0.03 0.08 0.70 0.00 0.00 175.22 176.75 3cf5 s VAL 80 N 0.93 3.78 0.10 -0.44 1.01 -0.72 -2.17 120.40 122.90 3cf5 s VAL 80 Ca 0.39 -0.50 -0.06 0.00 0.00 0.00 0.00 61.98 61.81 3cf5 s VAL 80 Cb -0.18 -2.82 -0.05 0.00 0.00 0.00 0.00 36.38 33.33 3cf5 s VAL 80 CO 0.19 0.28 0.35 -0.69 0.00 0.00 0.00 175.10 175.23 3cf5 s VAL 81 N 1.51 5.19 -0.04 2.92 1.01 -0.34 -0.54 120.40 130.11 3cf5 s VAL 81 Ca 0.05 0.14 0.02 0.00 0.00 0.00 0.00 61.98 62.19 3cf5 s VAL 81 Cb -0.16 -3.62 0.01 0.00 0.00 0.00 0.00 36.38 32.62 3cf5 s VAL 81 CO 0.00 0.17 -0.07 -0.69 0.00 0.00 0.00 175.10 174.51 3cf5 s VAL 82 N -1.52 0.66 0.29 2.92 1.01 -0.68 -2.45 120.40 120.64 3cf5 s VAL 82 Ca 0.36 -0.24 0.08 0.00 0.00 0.00 0.00 61.98 62.18 3cf5 s VAL 82 Cb -0.13 -0.63 -0.04 0.00 0.00 0.00 0.00 36.38 35.58 3cf5 s VAL 82 CO 0.21 0.23 0.13 0.27 0.00 0.00 0.00 175.10 175.95 3cf5 s ILE 83 N 0.56 3.63 0.00 2.22 -4.36 -1.18 -0.91 121.20 121.16 3cf5 s ILE 83 Ca -0.08 -1.64 0.00 0.00 -0.26 0.00 0.00 60.65 58.67 3cf5 s ILE 83 Cb -0.12 -3.08 0.00 0.00 1.25 0.00 0.00 42.46 40.51 3cf5 s ILE 83 CO 0.01 -0.29 0.00 0.59 0.24 0.00 0.00 174.94 175.49 3cf5 n ASN 84 N -1.11 0.00 0.00 4.36 3.02 1.41 -3.01 115.26 119.94 3cf5 n ASN 84 Ca -0.05 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.50 3cf5 n ASN 84 Cb 0.59 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.76 3cf5 n ASN 84 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3cf5 n ALA 85 N 6.57 0.00 0.01 5.41 0.00 -1.25 -3.17 120.51 128.07 3cf5 n ALA 85 Ca 0.00 0.00 0.13 0.00 0.00 0.00 0.00 53.44 53.57 3cf5 n ALA 85 Cb 0.00 0.00 0.21 0.00 0.00 0.00 0.00 19.45 19.66 3cf5 n ALA 85 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3cf5 n ALA 86 N 0.00 0.48 -1.58 0.00 0.00 -1.26 0.37 120.51 118.52 3cf5 n ALA 86 Ca 0.00 0.16 0.06 0.00 0.00 0.00 0.00 53.44 53.67 3cf5 n ALA 86 Cb 0.00 -0.29 0.19 0.00 0.00 0.00 0.00 19.45 19.35 3cf5 n ALA 86 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 3cf5 n GLN 87 N -2.58 1.44 -0.50 0.00 6.02 -1.26 -5.02 117.38 115.47 3cf5 n GLN 87 Ca 0.11 -3.11 -0.31 0.00 -0.01 0.00 0.00 57.00 53.69 3cf5 n GLN 87 Cb 1.08 -1.50 0.28 0.00 1.02 0.00 0.00 30.24 31.12 3cf5 n GLN 87 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.06 176.59 3cf5 s VAL 88 N -2.97 1.23 0.25 5.09 0.11 1.17 -1.45 120.40 123.83 3cf5 s VAL 88 Ca 0.37 0.00 0.08 0.00 -2.93 0.00 0.00 61.98 59.49 3cf5 s VAL 88 Cb 0.36 -2.16 -0.05 0.00 -1.53 0.00 0.00 36.38 33.00 3cf5 s VAL 88 CO -0.06 0.00 -0.10 0.00 -3.33 0.00 0.00 175.10 171.60 3cf5 s ALA 89 N -2.41 2.26 0.26 1.54 0.00 -1.15 -4.58 121.76 117.68 3cf5 s ALA 89 Ca 0.69 -1.81 0.02 0.00 0.00 0.00 0.00 51.96 50.86 3cf5 s ALA 89 Cb -0.12 0.04 -0.01 0.00 0.00 0.00 0.00 23.12 23.04 3cf5 s ALA 89 CO 0.57 0.02 0.31 1.28 0.00 0.00 0.00 175.76 177.94 3cf5 n LEU 90 N -0.51 0.00 0.00 0.00 4.32 -1.26 -1.29 117.00 118.25 3cf5 n LEU 90 Ca -0.06 -2.29 0.00 0.00 -0.02 0.00 0.00 56.01 53.63 3cf5 n LEU 90 Cb 0.62 1.69 0.00 0.00 -1.62 0.00 0.00 43.42 44.11 3cf5 n LEU 90 CO 0.38 -0.46 0.00 0.41 -1.22 0.00 0.00 177.39 176.49 3cf5 n THR 91 N -0.46 0.00 0.66 -5.08 -1.04 -1.26 -4.94 114.28 102.16 3cf5 n THR 91 Ca 0.03 0.00 0.13 0.00 -2.04 0.00 0.00 64.05 62.16 3cf5 n THR 91 Cb 0.46 -0.08 0.30 0.00 -1.82 0.00 0.00 70.33 69.19 3cf5 n THR 91 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 3cf5 n GLY 92 N 4.32 -1.52 2.81 3.41 0.00 -1.26 -4.85 105.19 108.11 3cf5 n GLY 92 Ca 0.00 -0.16 -0.14 0.00 0.00 0.00 0.00 46.02 45.72 3cf5 n GLY 92 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3cf5 s LYS 93 N -3.11 0.00 0.00 1.61 3.01 -1.26 -4.80 119.74 115.19 3cf5 s LYS 93 Ca 0.09 0.11 0.00 0.00 -1.01 0.00 0.00 55.97 55.16 3cf5 s LYS 93 Cb 0.14 -0.18 0.00 0.00 -1.01 0.00 0.00 37.83 36.78 3cf5 s LYS 93 CO 0.66 -0.10 0.00 1.17 0.51 0.00 0.00 175.35 177.59 3cf5 n LYS 94 N 3.76 0.04 -0.06 1.68 4.81 -1.26 -4.65 118.16 122.47 3cf5 n LYS 94 Ca -0.22 0.00 -0.08 0.00 -0.87 0.00 0.00 58.31 57.15 3cf5 n LYS 94 Cb 0.54 -0.00 -0.08 0.00 0.02 0.00 0.00 35.03 35.50 3cf5 n LYS 94 CO 0.00 0.00 0.00 1.28 1.17 0.00 0.00 177.40 179.85 3cf5 n LEU 95 N -0.12 1.34 -4.85 3.14 4.77 -1.26 0.20 117.00 120.22 3cf5 n LEU 95 Ca 0.00 -0.04 -0.21 0.00 -0.03 0.00 0.00 56.01 55.73 3cf5 n LEU 95 Cb 0.00 -0.07 -0.04 0.00 -2.33 0.00 0.00 43.42 40.98 3cf5 n LEU 95 CO 0.00 0.49 -0.06 -0.62 -1.33 0.00 0.00 177.39 175.87 3cf5 s ASP 96 N -4.85 5.08 0.00 -1.43 -1.08 -1.26 -4.77 116.67 108.36 3cf5 s ASP 96 Ca -0.12 -0.66 0.00 0.00 -0.52 0.00 0.00 52.55 51.25 3cf5 s ASP 96 Cb 0.04 -0.74 0.00 0.00 -1.46 0.00 0.00 42.92 40.76 3cf5 s ASP 96 CO 0.41 -0.49 0.00 -0.67 0.52 0.00 0.00 175.17 174.93 3cf5 n ASP 97 N -1.42 0.00 -4.46 -0.34 2.03 -1.26 -4.62 116.55 106.48 3cf5 n ASP 97 Ca 0.01 0.00 -0.44 0.00 0.52 0.00 0.00 54.79 54.88 3cf5 n ASP 97 Cb 0.61 -0.00 -0.02 0.00 -0.72 0.00 0.00 41.12 40.99 3cf5 n ASP 97 CO 0.00 0.00 0.00 -0.75 -1.92 0.00 0.00 177.20 174.53 3cf5 s LYS 98 N 0.00 3.72 -0.46 -0.67 2.47 -1.26 -4.89 119.74 118.65 3cf5 s LYS 98 Ca 0.00 -1.96 0.02 0.00 -1.56 0.00 0.00 55.97 52.48 3cf5 s LYS 98 Cb 0.00 -4.97 0.12 0.00 -1.46 0.00 0.00 37.83 31.53 3cf5 s LYS 98 CO 0.00 -1.78 0.21 0.08 0.16 0.00 0.00 175.35 174.02 3cf5 s VAL 99 N 2.47 2.76 -0.49 4.02 1.01 -1.26 0.15 120.40 129.05 3cf5 s VAL 99 Ca 0.36 -2.78 -0.28 0.00 0.00 0.00 0.00 61.98 59.27 3cf5 s VAL 99 Cb -0.04 -2.92 0.00 0.00 0.00 0.00 0.00 36.38 33.42 3cf5 s VAL 99 CO -0.07 -0.73 1.55 -0.47 0.00 0.00 0.00 175.10 175.38 3cf5 s TYR 100 N 0.32 2.13 0.27 5.22 5.04 -0.18 -4.72 117.35 125.43 3cf5 s TYR 100 Ca 0.14 0.60 -0.14 0.00 -2.44 0.00 0.00 57.07 55.22 3cf5 s TYR 100 Cb -0.22 -4.28 -0.08 0.00 0.35 0.00 0.00 41.96 37.73 3cf5 s TYR 100 CO -0.04 -2.21 0.68 0.99 -1.34 0.00 0.00 175.55 173.63 3cf5 s THR 101 N 6.51 4.73 -0.24 4.34 2.01 -1.26 -2.62 115.64 129.11 3cf5 s THR 101 Ca 0.62 0.89 -0.03 0.00 0.31 0.00 0.00 61.69 63.48 3cf5 s THR 101 Cb -0.14 -3.66 0.13 0.00 0.01 0.00 0.00 72.50 68.85 3cf5 s THR 101 CO 0.28 -0.06 0.39 -0.13 -0.69 0.00 0.00 174.62 174.40 3cf5 s ARG 102 N -2.71 0.35 -0.52 4.92 0.52 0.75 -4.99 118.95 117.29 3cf5 s ARG 102 Ca 0.50 0.56 -0.09 0.00 -0.52 0.00 0.00 55.73 56.17 3cf5 s ARG 102 Cb -0.12 -0.43 0.13 0.00 0.52 0.00 0.00 34.95 35.05 3cf5 s ARG 102 CO 0.19 -0.63 0.39 0.71 0.02 0.00 0.00 175.30 175.98 3cf5 s TYR 103 N 2.56 3.45 0.00 -0.53 1.51 -1.26 -2.82 117.35 120.25 3cf5 s TYR 103 Ca 0.13 -1.94 0.00 0.00 -1.01 0.00 0.00 57.07 54.25 3cf5 s TYR 103 Cb -0.15 -3.51 0.00 0.00 -0.11 0.00 0.00 41.96 38.18 3cf5 s TYR 103 CO -0.16 -0.98 0.00 0.25 -1.11 0.00 0.00 175.55 173.55 3cf5 n THR 104 N 4.72 0.00 -0.48 -0.71 -2.24 -0.87 -4.89 114.28 109.81 3cf5 n THR 104 Ca -0.05 0.00 -0.04 0.00 -2.27 0.00 0.00 64.05 61.69 3cf5 n THR 104 Cb 0.41 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.64 3cf5 n THR 104 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3cf5 n GLY 105 N 0.00 -0.80 2.24 3.38 0.00 -1.26 -4.06 105.19 104.69 3cf5 n GLY 105 Ca 0.00 -0.01 -0.41 0.00 0.00 0.00 0.00 46.02 45.60 3cf5 n GLY 105 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 3cf5 n TYR 106 N -1.89 1.03 -0.00 1.61 9.36 -1.26 -4.36 117.16 121.66 3cf5 n TYR 106 Ca -0.00 0.68 0.00 0.00 3.32 0.00 0.00 57.90 61.89 3cf5 n TYR 106 Cb 0.07 -1.35 0.00 0.00 -0.63 0.00 0.00 39.34 37.43 3cf5 n TYR 106 CO 0.00 0.00 0.00 1.04 0.22 0.00 0.00 176.86 178.12 3cf5 n GLN 107 N 2.56 0.00 -1.48 2.98 3.00 -1.26 -4.54 117.38 118.65 3cf5 n GLN 107 Ca 0.20 -0.01 -0.40 0.00 -0.01 0.00 0.00 57.00 56.78 3cf5 n GLN 107 Cb -0.04 -1.21 -0.02 0.00 0.00 0.00 0.00 30.24 28.98 3cf5 n GLN 107 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 3cf5 n GLY 108 N 2.57 4.13 2.12 1.08 0.00 -1.26 -3.89 105.19 109.94 3cf5 n GLY 108 Ca 0.00 -1.49 -0.06 0.00 0.00 0.00 0.00 46.02 44.47 3cf5 n GLY 108 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3cf5 n GLY 109 N 3.94 0.17 0.97 -0.02 0.00 -1.26 -4.89 105.19 104.10 3cf5 n GLY 109 Ca 0.61 -0.64 -0.01 0.00 0.00 0.00 0.00 46.02 45.97 3cf5 n GLY 109 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3cf5 n LEU 110 N -0.87 2.69 -4.36 0.99 4.77 -1.25 -4.73 117.00 114.23 3cf5 n LEU 110 Ca -0.07 -1.37 -0.42 0.00 -0.03 0.00 0.00 56.01 54.12 3cf5 n LEU 110 Cb 0.53 -0.55 -0.00 0.00 -2.33 0.00 0.00 43.42 41.07 3cf5 n LEU 110 CO 0.09 0.44 2.12 2.29 -1.33 0.00 0.00 177.39 181.00 3cf5 n LYS 111 N 0.15 2.99 -3.43 3.23 2.85 -1.26 -2.05 118.16 120.63 3cf5 n LYS 111 Ca 0.08 -3.04 -0.38 0.00 -1.05 0.00 0.00 58.31 53.92 3cf5 n LYS 111 Cb 0.56 -3.45 -0.06 0.00 -0.65 0.00 0.00 35.03 31.42 3cf5 n LYS 111 CO 0.00 0.00 0.00 0.99 -0.05 0.00 0.00 177.40 178.34 3cf5 s THR 112 N 4.41 5.16 0.04 0.58 2.01 -1.13 -4.97 115.64 121.74 3cf5 s THR 112 Ca 0.53 0.83 -0.00 0.00 0.31 0.00 0.00 61.69 63.35 3cf5 s THR 112 Cb 0.06 -3.74 -0.03 0.00 0.01 0.00 0.00 72.50 68.80 3cf5 s THR 112 CO 0.04 0.43 -0.03 -1.83 -0.69 0.00 0.00 174.62 172.54 3cf5 s GLU 113 N -0.00 0.52 -0.09 4.92 4.04 -1.26 -0.18 118.70 126.66 3cf5 s GLU 113 Ca 0.23 -1.01 -0.25 0.00 0.04 0.00 0.00 54.97 53.98 3cf5 s GLU 113 Cb -0.15 0.13 0.06 0.00 0.02 0.00 0.00 34.13 34.19 3cf5 s GLU 113 CO 0.10 -0.08 0.58 0.95 -1.84 0.00 0.00 175.26 174.97 3cf5 s THR 114 N -3.02 0.01 0.55 1.83 -4.23 -1.08 -4.99 115.64 104.72 3cf5 s THR 114 Ca -0.01 -0.10 -0.20 0.00 -1.18 0.00 0.00 61.69 60.20 3cf5 s THR 114 Cb 0.01 -0.88 -0.05 0.00 1.34 0.00 0.00 72.50 72.93 3cf5 s THR 114 CO -0.06 -0.06 1.20 0.00 -0.54 0.00 0.00 174.62 175.16 3cf5 s ALA 115 N -0.82 2.69 0.42 3.99 0.00 -1.26 -1.01 121.76 125.76 3cf5 s ALA 115 Ca -0.09 1.00 0.23 0.00 0.00 0.00 0.00 51.96 53.10 3cf5 s ALA 115 Cb -0.02 -3.43 1.29 0.00 0.00 0.00 0.00 23.12 20.96 3cf5 s ALA 115 CO 0.06 -1.01 2.04 -0.09 0.00 0.00 0.00 175.76 176.76 3cf5 h ARG 116 N 1.23 0.00 -0.42 0.00 9.65 0.17 0.71 114.38 125.72 3cf5 h ARG 116 Ca -0.50 0.00 -0.15 0.00 -1.10 0.00 0.00 59.98 58.23 3cf5 h ARG 116 Cb 1.28 0.00 -0.01 0.00 -1.39 0.00 0.00 29.97 29.85 3cf5 h ARG 116 CO 0.57 0.15 -0.32 1.49 2.80 0.00 0.00 179.97 184.65 3cf5 h GLU 117 N 0.00 0.97 0.00 0.20 4.81 0.19 -2.40 114.58 118.35 3cf5 h GLU 117 Ca -0.00 -0.47 0.00 0.00 -0.13 0.00 0.00 59.36 58.75 3cf5 h GLU 117 Cb 0.35 -0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.73 3cf5 h GLU 117 CO 0.02 1.14 0.00 0.00 -0.73 0.00 0.00 179.01 179.44 3cf5 n ALA 118 N -2.54 0.88 -2.51 2.92 0.00 0.25 -1.45 120.51 118.05 3cf5 n ALA 118 Ca -0.01 0.00 -0.26 0.00 0.00 0.00 0.00 53.44 53.16 3cf5 n ALA 118 Cb 0.52 -0.72 -0.00 0.00 0.00 0.00 0.00 19.45 19.25 3cf5 n ALA 118 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 3cf5 n LEU 119 N 0.04 4.56 -0.84 0.00 4.77 -0.90 -4.20 117.00 120.42 3cf5 n LEU 119 Ca 0.00 -5.18 0.09 0.00 -0.03 0.00 0.00 56.01 50.89 3cf5 n LEU 119 Cb 0.00 -0.43 0.13 0.00 -2.33 0.00 0.00 43.42 40.79 3cf5 n LEU 119 CO 0.00 2.22 0.60 -1.20 -1.33 0.00 0.00 177.39 177.67 3cf5 n SER 120 N -0.45 2.84 -0.12 -1.43 7.64 -0.53 -2.91 113.62 118.66 3cf5 n SER 120 Ca 0.37 -1.84 -0.25 0.00 1.01 0.00 0.00 58.87 58.16 3cf5 n SER 120 Cb 0.65 -0.11 -0.09 0.00 -1.01 0.00 0.00 64.21 63.65 3cf5 n SER 120 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 3cf5 n LYS 121 N 1.10 0.57 -3.08 1.43 5.02 -1.26 -4.84 118.16 117.11 3cf5 n LYS 121 Ca 0.13 0.34 -0.16 0.00 -2.02 0.00 0.00 58.31 56.60 3cf5 n LYS 121 Cb 0.49 -1.55 -0.01 0.00 -0.02 0.00 0.00 35.03 33.94 3cf5 n LYS 121 CO 0.00 0.00 0.00 0.72 -0.52 0.00 0.00 177.40 177.60 3cf5 n HIS 122 N -4.33 -0.01 -0.28 2.13 8.25 -1.26 -4.97 115.22 114.76 3cf5 n HIS 122 Ca -0.44 -3.51 -0.01 0.00 -0.26 0.00 0.00 57.72 53.50 3cf5 n HIS 122 Cb 0.78 -0.20 0.03 0.00 1.12 0.00 0.00 29.99 31.72 3cf5 n HIS 122 CO 0.00 0.00 0.00 -2.30 0.64 0.00 0.00 176.34 174.68 3cf5 n PRO 123 N 0.23 -0.18 -0.47 -0.41 -0.02 -1.14 -0.76 135.00 132.25 3cf5 n PRO 123 Ca 0.21 1.13 0.38 0.00 -2.02 0.00 0.00 63.50 63.20 3cf5 n PRO 123 Cb 0.69 -1.67 0.62 0.00 -0.02 0.00 0.00 33.50 33.11 3cf5 n PRO 123 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 3cf5 n GLU 124 N -5.08 -0.02 -0.06 -0.52 4.71 -1.26 -0.29 120.64 118.12 3cf5 n GLU 124 Ca 0.07 1.01 -0.14 0.00 -0.01 0.00 0.00 57.16 58.10 3cf5 n GLU 124 Cb 0.29 -2.10 -0.12 0.00 -1.01 0.00 0.00 31.44 28.49 3cf5 n GLU 124 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 3cf5 h ARG 125 N 0.00 0.00 -0.85 3.49 2.47 -1.36 -2.58 114.38 115.55 3cf5 h ARG 125 Ca 0.76 -0.00 0.36 0.00 -1.26 0.00 0.00 59.98 59.84 3cf5 h ARG 125 Cb 2.68 0.00 -0.15 0.00 -1.65 0.00 0.00 29.97 30.85 3cf5 h ARG 125 CO -0.26 0.90 0.46 0.28 0.56 0.00 0.00 179.97 181.90 3cf5 n VAL 126 N -4.66 -0.36 0.00 2.04 0.31 0.60 0.35 118.33 116.62 3cf5 n VAL 126 Ca -0.10 1.73 0.00 0.00 -0.01 0.00 0.00 64.34 65.96 3cf5 n VAL 126 Cb 0.43 -2.81 0.00 0.00 -0.91 0.00 0.00 33.84 30.55 3cf5 n VAL 126 CO 0.00 0.00 0.00 -0.38 -1.32 0.00 0.00 176.83 175.13 3cf5 n ILE 127 N -4.93 0.00 -0.24 2.52 -0.00 -1.20 -3.34 119.36 112.17 3cf5 n ILE 127 Ca 0.32 0.71 0.13 0.00 -0.00 0.00 0.00 62.75 63.92 3cf5 n ILE 127 Cb 1.10 -1.49 0.25 0.00 -0.00 0.00 0.00 39.64 39.50 3cf5 n ILE 127 CO 0.00 0.00 0.00 1.21 -0.00 0.00 0.00 176.55 177.76 3cf5 n GLU 128 N -1.44 -0.05 -1.13 0.38 2.13 0.24 0.87 120.64 121.63 3cf5 n GLU 128 Ca 0.00 1.03 -0.23 0.00 0.66 0.00 0.00 57.16 58.62 3cf5 n GLU 128 Cb 0.00 -1.69 0.15 0.00 0.27 0.00 0.00 31.44 30.17 3cf5 n GLU 128 CO 0.00 0.00 0.00 0.72 -0.41 0.00 0.00 177.13 177.44 3cf5 n HIS 129 N -4.87 2.80 0.00 4.31 8.25 1.09 -2.03 115.22 124.77 3cf5 n HIS 129 Ca 0.19 -1.92 0.00 0.00 -0.26 0.00 0.00 57.72 55.73 3cf5 n HIS 129 Cb 0.62 -0.97 0.00 0.00 1.12 0.00 0.00 29.99 30.77 3cf5 n HIS 129 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3cf5 n ALA 130 N -0.93 0.31 -0.12 -1.41 0.00 0.25 -4.76 120.51 113.85 3cf5 n ALA 130 Ca 0.55 0.00 -0.25 0.00 0.00 0.00 0.00 53.44 53.74 3cf5 n ALA 130 Cb 1.39 0.00 -0.09 0.00 0.00 0.00 0.00 19.45 20.75 3cf5 n ALA 130 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 3cf5 n VAL 131 N -0.18 1.38 0.11 0.00 0.31 -0.75 -4.04 118.33 115.15 3cf5 n VAL 131 Ca 0.00 -0.39 0.05 0.00 -0.01 0.00 0.00 64.34 63.99 3cf5 n VAL 131 Cb 0.00 -1.74 0.24 0.00 -0.91 0.00 0.00 33.84 31.43 3cf5 n VAL 131 CO 0.00 0.00 0.00 0.33 -1.32 0.00 0.00 176.83 175.84 3cf5 n PHE 132 N -3.94 0.30 0.06 3.52 -0.00 -0.86 0.18 117.46 116.72 3cf5 n PHE 132 Ca -0.48 0.16 -0.22 0.00 -0.00 0.00 0.00 57.45 56.90 3cf5 n PHE 132 Cb 0.87 -0.56 -0.15 0.00 -0.00 0.00 0.00 39.48 39.64 3cf5 n PHE 132 CO 0.00 0.00 0.00 0.78 -0.00 0.00 0.00 176.76 177.54 3cf5 h GLY 133 N 0.00 0.42 -0.44 7.13 0.00 -1.84 -3.32 103.07 105.02 3cf5 h GLY 133 Ca 0.00 -1.07 0.00 0.00 0.00 0.00 0.00 47.33 46.26 3cf5 h GLY 133 CO 0.00 0.93 0.00 1.03 0.00 0.00 0.00 176.54 178.50 3cf5 n MET 134 N -3.80 1.15 -4.40 4.80 2.81 0.46 -4.80 117.12 113.34 3cf5 n MET 134 Ca -0.22 -0.18 -0.29 0.00 -1.81 0.00 0.00 57.70 55.20 3cf5 n MET 134 Cb 0.99 -1.17 -0.12 0.00 -0.71 0.00 0.00 33.22 32.20 3cf5 n MET 134 CO 0.00 0.00 0.00 -0.51 1.51 0.00 0.00 175.97 176.97 3cf5 s LEU 135 N -0.78 2.50 0.23 4.03 1.43 -1.05 -4.93 118.68 120.11 3cf5 s LEU 135 Ca 0.03 -0.63 -0.27 0.00 -1.03 0.00 0.00 54.13 52.23 3cf5 s LEU 135 Cb 0.02 -1.39 -0.17 0.00 0.03 0.00 0.00 46.19 44.68 3cf5 s LEU 135 CO 0.02 0.19 0.46 -2.65 0.23 0.00 0.00 176.35 174.60 3cf5 n PRO 136 N 0.95 0.00 -0.72 1.29 -0.02 -1.26 -4.80 135.00 130.44 3cf5 n PRO 136 Ca -0.17 0.00 0.05 0.00 -2.02 0.00 0.00 63.50 61.36 3cf5 n PRO 136 Cb 0.53 -0.99 0.32 0.00 -0.02 0.00 0.00 33.50 33.33 3cf5 n PRO 136 CO 0.00 0.00 0.00 1.17 1.98 0.00 0.00 175.50 178.65 3cf5 n LYS 137 N 1.04 4.07 -4.22 -0.52 4.81 -1.26 -3.97 118.16 118.11 3cf5 n LYS 137 Ca 0.17 -2.50 -0.24 0.00 -0.87 0.00 0.00 58.31 54.86 3cf5 n LYS 137 Cb 0.27 -2.11 -0.08 0.00 0.02 0.00 0.00 35.03 33.13 3cf5 n LYS 137 CO 0.00 0.00 0.00 0.20 1.17 0.00 0.00 177.40 178.77 3cf5 s GLY 138 N -0.62 2.14 0.00 3.14 0.00 -1.26 -4.71 107.32 106.01 3cf5 s GLY 138 Ca 0.43 -1.99 0.00 0.00 0.00 0.00 0.00 44.72 43.16 3cf5 s GLY 138 CO 0.13 -1.88 0.00 0.54 0.00 0.00 0.00 173.10 171.89 3cf5 n ARG 139 N -1.10 0.00 -0.02 2.90 1.74 -1.26 0.48 116.66 119.40 3cf5 n ARG 139 Ca -0.03 0.00 -0.13 0.00 -0.77 0.00 0.00 57.85 56.92 3cf5 n ARG 139 Cb 0.63 0.00 -0.09 0.00 -1.02 0.00 0.00 32.46 31.98 3cf5 n ARG 139 CO 0.00 0.00 0.00 0.37 -1.52 0.00 0.00 177.63 176.48 3cf5 h GLN 140 N 0.00 0.06 -0.60 5.56 4.15 -1.95 -1.75 115.11 120.58 3cf5 h GLN 140 Ca 0.00 -0.03 0.06 0.00 0.77 0.00 0.00 58.65 59.45 3cf5 h GLN 140 Cb 0.00 0.00 -0.08 0.00 0.21 0.00 0.00 27.48 27.61 3cf5 h GLN 140 CO 0.00 0.53 -0.43 0.78 -1.93 0.00 0.00 178.83 177.78 3cf5 h GLY 141 N -0.41 -1.31 -0.14 2.39 0.00 1.06 0.37 103.07 105.04 3cf5 h GLY 141 Ca 0.00 0.85 0.01 0.00 0.00 0.00 0.00 47.33 48.20 3cf5 h GLY 141 CO 0.01 -0.25 -0.11 3.21 0.00 0.00 0.00 176.54 179.40 3cf5 h ARG 142 N -0.10 -0.03 -0.49 4.80 3.08 0.09 1.10 114.38 122.83 3cf5 h ARG 142 Ca 0.10 0.00 0.19 0.00 0.07 0.00 0.00 59.98 60.34 3cf5 h ARG 142 Cb 0.35 0.01 -0.09 0.00 0.08 0.00 0.00 29.97 30.32 3cf5 h ARG 142 CO -0.62 -0.02 0.20 0.00 -1.07 0.00 0.00 179.97 178.47 3cf5 n ALA 143 N -2.94 0.44 -0.27 0.04 0.00 0.50 0.19 120.51 118.47 3cf5 n ALA 143 Ca -0.00 0.51 0.06 0.00 0.00 0.00 0.00 53.44 54.00 3cf5 n ALA 143 Cb 0.05 -0.47 0.28 0.00 0.00 0.00 0.00 19.45 19.31 3cf5 n ALA 143 CO 0.00 0.00 0.00 0.52 0.00 0.00 0.00 177.50 178.02 3cf5 h MET 144 N 0.00 0.90 0.00 0.00 2.86 0.51 -2.43 114.93 116.77 3cf5 h MET 144 Ca 0.39 -0.05 0.00 0.00 -2.06 0.00 0.00 59.70 57.97 3cf5 h MET 144 Cb 0.99 -0.20 0.00 0.00 0.06 0.00 0.00 31.60 32.44 3cf5 h MET 144 CO -0.40 0.60 0.05 1.25 1.06 0.00 0.00 176.91 179.47 3cf5 h HIS 145 N 0.93 0.00 0.15 -0.22 6.17 -0.26 -2.72 115.15 119.20 3cf5 h HIS 145 Ca 0.38 0.00 0.00 0.00 0.71 0.00 0.00 60.37 61.47 3cf5 h HIS 145 Cb 0.28 0.00 -0.03 0.00 2.52 0.00 0.00 27.41 30.18 3cf5 h HIS 145 CO -0.00 0.00 -0.34 1.15 0.71 0.00 0.00 177.93 179.45 3cf5 h THR 146 N 0.00 0.00 0.00 6.26 2.02 -1.60 -2.03 112.91 117.56 3cf5 h THR 146 Ca 0.00 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.18 3cf5 h THR 146 Cb 0.10 0.00 0.00 0.00 -1.74 0.00 0.00 68.15 66.51 3cf5 h THR 146 CO 0.00 0.00 0.11 0.54 0.37 0.00 0.00 175.52 176.54 3cf5 n ARG 147 N -4.41 0.05 -2.88 6.66 1.74 -1.02 -4.36 116.66 112.44 3cf5 n ARG 147 Ca -0.06 0.49 -0.42 0.00 -0.77 0.00 0.00 57.85 57.09 3cf5 n ARG 147 Cb 0.28 -1.77 -0.04 0.00 -1.02 0.00 0.00 32.46 29.90 3cf5 n ARG 147 CO 0.00 0.00 0.00 -1.17 -1.52 0.00 0.00 177.63 174.94 3cf5 s LEU 148 N -3.46 4.07 -0.45 0.55 2.96 -0.76 -1.75 118.68 119.84 3cf5 s LEU 148 Ca -0.01 0.94 0.02 0.00 -0.22 0.00 0.00 54.13 54.86 3cf5 s LEU 148 Cb 0.02 -3.19 0.14 0.00 0.50 0.00 0.00 46.19 43.66 3cf5 s LEU 148 CO 0.07 -0.58 0.27 -0.54 -1.32 0.00 0.00 176.35 174.25 3cf5 s LYS 149 N 2.95 1.29 0.78 1.98 -0.14 0.30 -5.00 119.74 121.90 3cf5 s LYS 149 Ca 0.35 -2.07 -0.09 0.00 -1.36 0.00 0.00 55.97 52.80 3cf5 s LYS 149 Cb -0.15 -2.25 0.11 0.00 -1.68 0.00 0.00 37.83 33.86 3cf5 s LYS 149 CO 0.09 -1.20 1.11 0.08 -0.76 0.00 0.00 175.35 174.67 3cf5 s VAL 150 N 0.23 2.15 0.01 3.17 1.01 -1.26 -1.68 120.40 124.03 3cf5 s VAL 150 Ca 0.20 -0.22 -0.28 0.00 0.00 0.00 0.00 61.98 61.67 3cf5 s VAL 150 Cb -0.20 -2.93 0.08 0.00 0.00 0.00 0.00 36.38 33.33 3cf5 s VAL 150 CO -0.03 0.00 0.69 -0.31 0.00 0.00 0.00 175.10 175.45 3cf5 s TYR 151 N -3.43 -0.58 -0.10 5.22 1.51 -0.09 -4.78 117.35 115.12 3cf5 s TYR 151 Ca 0.65 0.78 0.15 0.00 -1.01 0.00 0.00 57.07 57.63 3cf5 s TYR 151 Cb -0.08 0.47 -0.11 0.00 -0.11 0.00 0.00 41.96 42.13 3cf5 s TYR 151 CO 0.47 -0.66 0.99 0.00 -1.11 0.00 0.00 175.55 175.25 3cf5 h ALA 152 N 2.58 0.64 -3.00 3.71 0.00 -1.84 -2.58 119.26 118.78 3cf5 h ALA 152 Ca -0.28 -0.84 0.00 0.00 0.00 0.00 0.00 54.91 53.79 3cf5 h ALA 152 Cb 1.20 0.18 0.00 0.00 0.00 0.00 0.00 17.79 19.17 3cf5 h ALA 152 CO 0.38 0.97 0.00 0.41 0.00 0.00 0.00 179.25 181.00 3cf5 n GLY 153 N 1.37 0.89 0.00 0.00 0.00 -1.26 -3.26 105.19 102.94 3cf5 n GLY 153 Ca -0.07 -0.58 0.00 0.00 0.00 0.00 0.00 46.02 45.37 3cf5 n GLY 153 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3cf5 n GLU 154 N 0.00 0.00 0.00 1.61 4.71 -1.26 0.42 120.64 126.12 3cf5 n GLU 154 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.16 57.15 3cf5 n GLU 154 Cb 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 31.44 30.43 3cf5 n GLU 154 CO 0.00 0.00 0.00 -2.37 0.09 0.00 0.00 177.13 174.85 3cf5 n THR 155 N 0.00 0.00 -0.32 2.62 5.66 -1.26 -1.07 114.28 119.91 3cf5 n THR 155 Ca 0.00 1.21 0.13 0.00 -3.05 0.00 0.00 64.05 62.34 3cf5 n THR 155 Cb 0.00 -1.85 0.25 0.00 -1.55 0.00 0.00 70.33 67.18 3cf5 n THR 155 CO 0.00 0.00 0.00 1.41 -3.05 0.00 0.00 175.07 173.43 3cf5 n HIS 156 N -1.64 0.55 -0.33 1.09 8.25 -1.26 0.30 115.22 122.18 3cf5 n HIS 156 Ca 0.00 1.10 0.28 0.00 -0.26 0.00 0.00 57.72 58.83 3cf5 n HIS 156 Cb 0.00 -1.16 0.60 0.00 1.12 0.00 0.00 29.99 30.54 3cf5 n HIS 156 CO 0.00 0.00 0.00 -1.35 0.64 0.00 0.00 176.34 175.63 3cf5 h PRO 157 N 0.00 0.24 0.00 -0.41 0.11 -1.44 1.58 132.00 132.08 3cf5 h PRO 157 Ca 0.54 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.63 3cf5 h PRO 157 Cb 1.08 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 32.14 3cf5 h PRO 157 CO -0.86 0.16 0.00 0.72 -0.21 0.00 0.00 178.00 177.81 3cf5 n HIS 158 N -4.49 0.00 0.00 0.65 8.25 0.86 -1.48 115.22 119.01 3cf5 n HIS 158 Ca 0.26 0.00 -0.21 0.00 -0.26 0.00 0.00 57.72 57.51 3cf5 n HIS 158 Cb 1.02 -0.09 -0.14 0.00 1.12 0.00 0.00 29.99 31.91 3cf5 n HIS 158 CO 0.00 0.00 0.00 0.77 0.64 0.00 0.00 176.34 177.75 3cf5 h SER 159 N 0.00 0.34 0.00 0.41 0.02 0.22 -3.29 113.55 111.26 3cf5 h SER 159 Ca 0.00 -0.86 0.00 0.00 -0.84 0.00 0.00 61.79 60.09 3cf5 h SER 159 Cb 0.00 -0.11 0.00 0.00 0.14 0.00 0.00 62.40 62.43 3cf5 h SER 159 CO 0.00 1.53 0.00 0.00 -1.14 0.00 0.00 176.83 177.22 3cf5 n ALA 160 N -2.92 3.24 -3.55 3.77 0.00 -0.55 -4.49 120.51 116.01 3cf5 n ALA 160 Ca -0.22 0.00 -0.02 0.00 0.00 0.00 0.00 53.44 53.20 3cf5 n ALA 160 Cb 0.84 -1.30 -0.05 0.00 0.00 0.00 0.00 19.45 18.94 3cf5 n ALA 160 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 3cf5 s GLN 161 N 0.61 0.52 0.00 0.00 -0.21 -1.24 -5.03 119.66 114.30 3cf5 s GLN 161 Ca 0.00 1.26 0.00 0.00 0.02 0.00 0.00 55.36 56.64 3cf5 s GLN 161 Cb 0.00 0.66 0.00 0.00 1.00 0.00 0.00 33.01 34.67 3cf5 s GLN 161 CO 0.00 -0.31 0.15 1.63 -2.12 0.00 0.00 175.29 174.64 3cf5 n LYS 162 N 5.43 0.74 0.00 2.91 5.02 -1.26 -4.96 118.16 126.04 3cf5 n LYS 162 Ca -0.09 -0.15 0.00 0.00 -2.02 0.00 0.00 58.31 56.05 3cf5 n LYS 162 Cb 0.49 -0.56 0.00 0.00 -0.02 0.00 0.00 35.03 34.95 3cf5 n LYS 162 CO 0.00 0.00 0.00 -0.35 -0.52 0.00 0.00 177.40 176.53 3cf5 n PRO 163 N -0.15 0.00 -3.48 1.97 -0.04 -1.26 -5.08 135.00 126.97 3cf5 n PRO 163 Ca 0.00 0.00 -0.24 0.00 -0.04 0.00 0.00 63.50 63.22 3cf5 n PRO 163 Cb 0.09 0.00 -0.01 0.00 -0.04 0.00 0.00 33.50 33.54 3cf5 n PRO 163 CO 0.00 0.00 0.00 -0.65 -0.04 0.00 0.00 175.50 174.81 3cf5 s GLN 164 N 1.86 3.49 -0.39 0.54 -1.52 -1.26 -5.04 119.66 117.33 3cf5 s GLN 164 Ca 0.00 -0.39 0.11 0.00 -1.95 0.00 0.00 55.36 53.14 3cf5 s GLN 164 Cb 0.00 -2.70 0.39 0.00 -0.22 0.00 0.00 33.01 30.48 3cf5 s GLN 164 CO 0.00 0.21 1.12 1.33 -0.25 0.00 0.00 175.29 177.70 3cf5 n VAL 165 N -1.64 0.25 -1.86 1.09 0.24 0.22 -4.45 118.33 112.17 3cf5 n VAL 165 Ca -0.05 -2.32 -0.42 0.00 -2.04 0.00 0.00 64.34 59.51 3cf5 n VAL 165 Cb 0.56 0.85 -0.03 0.00 -1.47 0.00 0.00 33.84 33.75 3cf5 n VAL 165 CO 0.00 0.00 0.00 -0.76 -2.14 0.00 0.00 176.83 173.93 3cf5 s LEU 166 N -2.90 3.45 -1.10 1.34 1.43 -0.59 -4.43 118.68 115.88 3cf5 s LEU 166 Ca 0.26 1.27 -0.22 0.00 -1.03 0.00 0.00 54.13 54.41 3cf5 s LEU 166 Cb 0.39 -3.26 0.00 0.00 0.03 0.00 0.00 46.19 43.36 3cf5 s LEU 166 CO -0.05 -2.00 1.74 -0.75 0.23 0.00 0.00 176.35 175.53 3cf5 s LYS 167 N 6.31 3.23 -0.12 1.70 2.20 -1.26 -1.11 119.74 130.70 3cf5 s LYS 167 Ca 0.85 -1.17 -0.00 0.00 -0.36 0.00 0.00 55.97 55.28 3cf5 s LYS 167 Cb -0.23 -5.32 0.10 0.00 -1.51 0.00 0.00 37.83 30.87 3cf5 s LYS 167 CO 0.31 -2.87 1.82 0.25 -0.36 0.00 0.00 175.35 174.50 3cf5 n THR 168 N 7.18 2.11 -0.17 3.43 -2.24 -1.26 -4.91 114.28 118.42 3cf5 n THR 168 Ca 0.41 -0.83 -0.06 0.00 -2.27 0.00 0.00 64.05 61.31 3cf5 n THR 168 Cb 0.48 -1.31 -0.00 0.00 -2.10 0.00 0.00 70.33 67.39 3cf5 n THR 168 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3cf5 n GLN 169 N 0.84 0.00 0.00 -0.78 -0.00 -1.26 -4.83 117.38 111.35 3cf5 n GLN 169 Ca 0.12 0.00 0.00 0.00 -0.00 0.00 0.00 57.00 57.12 3cf5 n GLN 169 Cb 0.58 -0.13 0.00 0.00 -0.00 0.00 0.00 30.24 30.69 3cf5 n GLN 169 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.06 174.76 3cf5 n PRO 170 N 0.16 0.00 0.00 2.61 -0.02 -1.26 -5.00 135.00 131.48 3cf5 n PRO 170 Ca 0.02 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.50 3cf5 n PRO 170 Cb 0.04 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 33.52 3cf5 n PRO 170 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76