#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3cf5 n GLU 2 N 0.00 2.28 -1.07 0.03 1.02 -1.26 -3.94 120.64 117.70 3cf5 n GLU 2 Ca 0.00 -2.91 -0.35 0.00 -0.02 0.00 0.00 57.16 53.89 3cf5 n GLU 2 Cb 0.00 -2.14 -0.01 0.00 -0.02 0.00 0.00 31.44 29.28 3cf5 n GLU 2 CO 0.00 0.00 0.00 -0.11 1.18 0.00 0.00 177.13 178.20 3cf5 n LEU 3 N -1.00 -2.13 0.06 -4.62 7.94 -1.26 -4.48 117.00 111.52 3cf5 n LEU 3 Ca 0.57 0.70 0.00 0.00 -1.11 0.00 0.00 56.01 56.17 3cf5 n LEU 3 Cb 1.40 -0.72 0.00 0.00 0.53 0.00 0.00 43.42 44.63 3cf5 n LEU 3 CO 0.62 -3.26 -0.09 0.35 -1.11 0.00 0.00 177.39 173.90 3cf5 n THR 4 N -0.70 0.52 -1.05 1.96 -2.24 -1.20 -2.34 114.28 109.23 3cf5 n THR 4 Ca 0.10 0.17 -0.11 0.00 -2.27 0.00 0.00 64.05 61.94 3cf5 n THR 4 Cb 0.30 -1.13 0.08 0.00 -2.10 0.00 0.00 70.33 67.49 3cf5 n THR 4 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3cf5 n ALA 5 N -3.29 -0.89 0.00 6.98 0.00 -1.26 -4.25 120.51 117.80 3cf5 n ALA 5 Ca 0.00 -0.62 0.00 0.00 0.00 0.00 0.00 53.44 52.82 3cf5 n ALA 5 Cb 0.09 -0.04 0.00 0.00 0.00 0.00 0.00 19.45 19.50 3cf5 n ALA 5 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.50 177.86 3cf5 n LYS 6 N -2.36 0.00 -1.77 0.00 2.85 -1.26 -2.72 118.16 112.89 3cf5 n LYS 6 Ca 0.06 0.00 -0.29 0.00 -1.05 0.00 0.00 58.31 57.03 3cf5 n LYS 6 Cb 0.22 0.00 0.11 0.00 -0.65 0.00 0.00 35.03 34.70 3cf5 n LYS 6 CO 0.00 0.00 0.00 -1.25 -0.05 0.00 0.00 177.40 176.10 3cf5 s PRO 7 N 0.00 1.65 0.48 -1.58 0.04 -1.26 -4.42 135.00 129.91 3cf5 s PRO 7 Ca 0.00 0.17 0.29 0.00 0.04 0.00 0.00 61.00 61.50 3cf5 s PRO 7 Cb 0.00 -1.91 0.97 0.00 0.04 0.00 0.00 34.50 33.60 3cf5 s PRO 7 CO 0.00 -1.82 1.83 0.00 0.04 0.00 0.00 177.00 177.05 3cf5 h ARG 8 N -1.22 0.00 -5.27 4.56 3.08 -2.02 -3.41 114.38 110.10 3cf5 h ARG 8 Ca -0.48 0.00 -0.66 0.00 0.07 0.00 0.00 59.98 58.91 3cf5 h ARG 8 Cb 1.33 0.00 -0.16 0.00 0.08 0.00 0.00 29.97 31.22 3cf5 h ARG 8 CO 0.64 0.00 0.11 0.99 -1.07 0.00 0.00 179.97 180.64 3cf5 s THR 9 N -3.47 4.83 -2.07 2.04 2.01 -1.26 -4.95 115.64 112.78 3cf5 s THR 9 Ca 0.04 -0.09 0.13 0.00 0.31 0.00 0.00 61.69 62.08 3cf5 s THR 9 Cb 0.08 -4.24 0.34 0.00 0.01 0.00 0.00 72.50 68.69 3cf5 s THR 9 CO 0.58 -0.68 1.33 -0.81 -0.69 0.00 0.00 174.62 174.36 3cf5 n PRO 10 N 6.26 1.76 -0.09 4.92 -0.04 -1.26 -4.53 135.00 142.02 3cf5 n PRO 10 Ca -0.03 -1.18 -0.10 0.00 -0.04 0.00 0.00 63.50 62.15 3cf5 n PRO 10 Cb 0.47 -1.30 -0.07 0.00 -0.04 0.00 0.00 33.50 32.56 3cf5 n PRO 10 CO 0.00 0.00 0.00 -0.22 -0.04 0.00 0.00 175.50 175.24 3cf5 h LYS 11 N 2.03 -0.29 -1.78 0.54 1.63 -1.98 -0.33 116.57 116.38 3cf5 h LYS 11 Ca 0.00 0.02 0.00 0.00 -0.85 0.00 0.00 60.65 59.82 3cf5 h LYS 11 Cb 0.46 0.07 0.00 0.00 -0.60 0.00 0.00 32.23 32.15 3cf5 h LYS 11 CO 0.00 -0.19 0.00 1.04 -3.45 0.00 0.00 179.45 176.85 3cf5 n GLN 12 N -4.65 0.00 0.00 1.90 6.02 -1.26 -2.10 117.38 117.29 3cf5 n GLN 12 Ca -0.03 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.96 3cf5 n GLN 12 Cb 0.25 -1.15 0.00 0.00 1.02 0.00 0.00 30.24 30.36 3cf5 n GLN 12 CO 0.00 0.00 0.00 0.36 -1.01 0.00 0.00 177.06 176.41 3cf5 n LYS 13 N 1.14 0.00 -0.68 -1.09 2.85 -0.91 -4.82 118.16 114.65 3cf5 n LYS 13 Ca 0.00 0.00 0.52 0.00 -1.05 0.00 0.00 58.31 57.78 3cf5 n LYS 13 Cb 0.00 0.00 0.80 0.00 -0.65 0.00 0.00 35.03 35.18 3cf5 n LYS 13 CO 0.00 0.00 0.00 1.28 -0.05 0.00 0.00 177.40 178.63 3cf5 n LEU 14 N -1.43 0.03 -0.06 -5.58 4.77 -0.18 0.11 117.00 114.66 3cf5 n LEU 14 Ca 0.00 1.04 -0.03 0.00 -0.03 0.00 0.00 56.01 56.98 3cf5 n LEU 14 Cb 0.00 -0.52 -0.01 0.00 -2.33 0.00 0.00 43.42 40.56 3cf5 n LEU 14 CO 0.00 -1.05 -0.26 0.44 -1.33 0.00 0.00 177.39 175.19 3cf5 h ASP 15 N 0.00 0.00 -2.17 -1.43 3.32 -1.85 -3.46 116.42 110.84 3cf5 h ASP 15 Ca 0.93 0.00 -0.56 0.00 0.02 0.00 0.00 57.03 57.42 3cf5 h ASP 15 Cb 3.66 0.00 0.01 0.00 0.22 0.00 0.00 39.33 43.23 3cf5 h ASP 15 CO -0.07 0.59 1.31 -0.62 -1.72 0.00 0.00 179.24 178.74 3cf5 n GLU 16 N -4.16 2.47 -1.21 3.56 4.71 0.31 -4.75 120.64 121.58 3cf5 n GLU 16 Ca -0.05 0.84 -0.25 0.00 -0.01 0.00 0.00 57.16 57.69 3cf5 n GLU 16 Cb 0.20 -3.04 -0.15 0.00 -1.01 0.00 0.00 31.44 27.44 3cf5 n GLU 16 CO 0.00 0.00 0.00 -1.13 0.09 0.00 0.00 177.13 176.09 3cf5 n SER 17 N 8.87 -0.50 -3.62 1.62 3.41 -1.25 -4.51 113.62 117.65 3cf5 n SER 17 Ca 0.24 -0.16 -0.03 0.00 -0.26 0.00 0.00 58.87 58.66 3cf5 n SER 17 Cb 0.41 -0.58 -0.05 0.00 -0.26 0.00 0.00 64.21 63.72 3cf5 n SER 17 CO 0.00 0.00 0.00 -0.04 -0.16 0.00 0.00 175.04 174.84 3cf5 s MET 18 N 6.42 0.58 0.94 4.33 -1.94 -1.26 -3.24 119.30 125.12 3cf5 s MET 18 Ca 1.08 1.21 -0.15 0.00 -1.71 0.00 0.00 55.69 56.12 3cf5 s MET 18 Cb -0.84 0.46 0.19 0.00 2.01 0.00 0.00 34.83 36.65 3cf5 s MET 18 CO 0.43 -0.16 1.29 0.42 -0.01 0.00 0.00 175.02 176.99 3cf5 s ILE 19 N 2.20 2.01 -0.17 2.53 -1.09 -0.31 -4.54 121.20 121.84 3cf5 s ILE 19 Ca -0.07 -0.04 -0.04 0.00 -2.23 0.00 0.00 60.65 58.26 3cf5 s ILE 19 Cb -0.08 -2.97 0.07 0.00 -1.58 0.00 0.00 42.46 37.91 3cf5 s ILE 19 CO -0.19 0.00 0.16 0.00 -1.23 0.00 0.00 174.94 173.68 3cf5 s ALA 20 N -3.82 0.01 0.00 9.38 0.00 -1.22 -3.06 121.76 123.04 3cf5 s ALA 20 Ca 0.73 0.11 0.00 0.00 0.00 0.00 0.00 51.96 52.80 3cf5 s ALA 20 Cb -0.04 -1.11 0.00 0.00 0.00 0.00 0.00 23.12 21.97 3cf5 s ALA 20 CO 0.52 -1.06 0.00 0.00 0.00 0.00 0.00 175.76 175.22 3cf5 n ALA 21 N 5.31 0.00 -3.60 0.00 0.00 -1.23 -3.01 120.51 117.97 3cf5 n ALA 21 Ca -0.06 0.00 -0.12 0.00 0.00 0.00 0.00 53.44 53.26 3cf5 n ALA 21 Cb 0.49 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.88 3cf5 n ALA 21 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.50 177.64 3cf5 s VAL 22 N 0.77 0.00 0.06 0.00 -7.23 -1.16 -3.29 120.40 109.56 3cf5 s VAL 22 Ca 0.00 0.00 -0.03 0.00 -1.81 0.00 0.00 61.98 60.14 3cf5 s VAL 22 Cb 0.00 -1.00 -0.03 0.00 0.56 0.00 0.00 36.38 35.91 3cf5 s VAL 22 CO 0.00 0.00 0.03 0.00 -0.31 0.00 0.00 175.10 174.82 3cf5 s ALA 23 N -0.27 0.31 0.00 1.32 0.00 -1.25 -0.31 121.76 121.57 3cf5 s ALA 23 Ca -0.01 -1.05 0.00 0.00 0.00 0.00 0.00 51.96 50.90 3cf5 s ALA 23 Cb -0.03 0.35 0.00 0.00 0.00 0.00 0.00 23.12 23.43 3cf5 s ALA 23 CO -0.00 -0.41 0.00 2.48 0.00 0.00 0.00 175.76 177.82 3cf5 n TYR 24 N 0.06 0.00 0.04 0.00 0.18 -1.02 -3.40 117.16 113.02 3cf5 n TYR 24 Ca -0.14 0.00 0.00 0.00 1.88 0.00 0.00 57.90 59.64 3cf5 n TYR 24 Cb 0.61 0.00 0.00 0.00 -0.38 0.00 0.00 39.34 39.57 3cf5 n TYR 24 CO 0.00 0.00 0.00 0.27 -2.08 0.00 0.00 176.86 175.05 3cf5 n ASN 25 N 0.00 -0.77 0.00 9.48 0.23 -1.23 -1.12 115.26 121.84 3cf5 n ASN 25 Ca 0.00 0.27 0.00 0.00 -0.53 0.00 0.00 54.58 54.32 3cf5 n ASN 25 Cb 0.00 0.96 0.00 0.00 -2.08 0.00 0.00 39.78 38.66 3cf5 n ASN 25 CO 0.00 0.00 0.00 2.29 -0.93 0.00 0.00 177.26 178.62 3cf5 n LYS 26 N -2.61 0.00 0.00 -3.83 2.85 -1.26 -5.05 118.16 108.26 3cf5 n LYS 26 Ca 0.00 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.26 3cf5 n LYS 26 Cb 0.00 0.00 0.00 0.00 -0.65 0.00 0.00 35.03 34.38 3cf5 n LYS 26 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 177.40 177.74 3cf5 n GLU 27 N 0.00 0.00 -3.31 -1.58 1.02 -1.26 -4.94 120.64 110.57 3cf5 n GLU 27 Ca 0.00 0.00 -0.37 0.00 -0.02 0.00 0.00 57.16 56.77 3cf5 n GLU 27 Cb 0.00 0.00 -0.06 0.00 -0.02 0.00 0.00 31.44 31.36 3cf5 n GLU 27 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 3cf5 s ASN 28 N -1.00 6.98 -0.44 1.62 4.22 -1.26 -4.99 114.94 120.07 3cf5 s ASN 28 Ca 0.00 1.19 0.10 0.00 -2.14 0.00 0.00 52.86 52.01 3cf5 s ASN 28 Cb 0.00 -2.33 0.38 0.00 1.28 0.00 0.00 41.25 40.57 3cf5 s ASN 28 CO 0.00 0.22 0.90 0.59 -2.04 0.00 0.00 177.10 176.76 3cf5 n ASN 29 N 1.41 2.68 -4.74 3.54 3.02 -1.26 -3.54 115.26 116.37 3cf5 n ASN 29 Ca -0.09 -3.28 -0.41 0.00 -0.03 0.00 0.00 54.58 50.77 3cf5 n ASN 29 Cb 0.51 -0.56 0.01 0.00 -0.61 0.00 0.00 39.78 39.13 3cf5 n ASN 29 CO 0.00 0.00 0.00 0.52 -2.62 0.00 0.00 177.26 175.16 3cf5 n VAL 30 N -0.06 2.36 -2.31 2.41 0.31 -1.22 -4.89 118.33 114.93 3cf5 n VAL 30 Ca 0.26 -0.50 -0.36 0.00 -0.01 0.00 0.00 64.34 63.73 3cf5 n VAL 30 Cb 0.60 -1.79 -0.01 0.00 -0.91 0.00 0.00 33.84 31.73 3cf5 n VAL 30 CO 0.00 0.00 0.00 -0.55 -1.32 0.00 0.00 176.83 174.96 3cf5 s SER 31 N -0.34 6.04 0.07 4.52 0.15 -1.26 -3.82 113.70 119.05 3cf5 s SER 31 Ca 0.58 2.19 -0.04 0.00 0.70 0.00 0.00 55.95 59.37 3cf5 s SER 31 Cb -0.49 -2.59 -0.02 0.00 -1.71 0.00 0.00 66.02 61.21 3cf5 s SER 31 CO 0.60 -1.00 0.07 -0.36 1.20 0.00 0.00 173.24 173.75 3cf5 s PHE 32 N -1.69 0.36 -0.37 3.44 0.40 -1.21 -4.65 117.98 114.26 3cf5 s PHE 32 Ca 0.67 -0.86 0.01 0.00 -0.60 0.00 0.00 56.93 56.16 3cf5 s PHE 32 Cb -0.25 -0.25 0.18 0.00 0.51 0.00 0.00 43.02 43.22 3cf5 s PHE 32 CO 0.29 -0.45 0.79 0.00 0.70 0.00 0.00 175.22 176.55 3cf5 s ALA 33 N -3.89 -3.16 0.67 5.36 0.00 -1.10 -3.48 121.76 116.15 3cf5 s ALA 33 Ca 0.06 0.64 0.04 0.00 0.00 0.00 0.00 51.96 52.71 3cf5 s ALA 33 Cb 0.07 -2.84 0.12 0.00 0.00 0.00 0.00 23.12 20.47 3cf5 s ALA 33 CO -0.10 -2.31 0.92 -0.48 0.00 0.00 0.00 175.76 173.79 3cf5 s LEU 34 N 1.93 2.99 0.12 0.00 0.05 -1.17 -3.24 118.68 119.36 3cf5 s LEU 34 Ca 0.15 -0.67 -0.30 0.00 0.05 0.00 0.00 54.13 53.37 3cf5 s LEU 34 Cb -0.01 -1.66 -0.06 0.00 -2.05 0.00 0.00 46.19 42.40 3cf5 s LEU 34 CO -0.10 -1.70 1.06 -0.62 -0.55 0.00 0.00 176.35 174.44 3cf5 s ASP 35 N -4.75 7.32 0.00 1.48 -1.08 -1.26 -1.16 116.67 117.22 3cf5 s ASP 35 Ca 0.65 1.95 0.00 0.00 -0.52 0.00 0.00 52.55 54.63 3cf5 s ASP 35 Cb -0.05 -2.59 0.00 0.00 -1.46 0.00 0.00 42.92 38.82 3cf5 s ASP 35 CO 0.42 -0.22 0.00 -1.14 0.52 0.00 0.00 175.17 174.76 3cf5 n ARG 36 N 2.87 0.00 -0.11 4.34 0.63 -1.20 -2.52 116.66 120.66 3cf5 n ARG 36 Ca 0.04 0.00 -0.03 0.00 -0.92 0.00 0.00 57.85 56.94 3cf5 n ARG 36 Cb 0.48 -0.42 -0.03 0.00 0.45 0.00 0.00 32.46 32.94 3cf5 n ARG 36 CO 0.00 0.00 0.00 1.17 -2.51 0.00 0.00 177.63 176.29 3cf5 n LYS 37 N 0.00 -0.12 -0.19 -0.14 4.81 -1.26 -0.34 118.16 120.93 3cf5 n LYS 37 Ca 0.00 0.40 -0.09 0.00 -0.87 0.00 0.00 58.31 57.74 3cf5 n LYS 37 Cb 0.00 -0.59 -0.07 0.00 0.02 0.00 0.00 35.03 34.39 3cf5 n LYS 37 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 3cf5 h ALA 38 N 0.13 -0.56 -0.73 3.14 0.00 -1.96 1.24 119.26 120.53 3cf5 h ALA 38 Ca 0.04 0.03 0.03 0.00 0.00 0.00 0.00 54.91 55.02 3cf5 h ALA 38 Cb 0.11 1.13 -0.04 0.00 0.00 0.00 0.00 17.79 18.98 3cf5 h ALA 38 CO -0.25 -0.80 0.48 0.35 0.00 0.00 0.00 179.25 179.03 3cf5 h PHE 39 N -0.18 0.87 -0.75 0.00 3.57 -0.39 0.55 116.94 120.62 3cf5 h PHE 39 Ca 0.08 0.02 -0.01 0.00 3.53 0.00 0.00 57.97 61.59 3cf5 h PHE 39 Cb 0.39 -0.29 -0.04 0.00 2.79 0.00 0.00 35.95 38.80 3cf5 h PHE 39 CO -0.82 0.52 0.42 -0.44 -2.23 0.00 0.00 178.31 175.76 3cf5 h ASP 40 N 0.91 0.92 1.21 0.41 3.45 0.23 0.28 116.42 123.83 3cf5 h ASP 40 Ca 0.29 -0.07 -0.08 0.00 0.43 0.00 0.00 57.03 57.60 3cf5 h ASP 40 Cb 0.02 -0.23 -0.01 0.00 -0.56 0.00 0.00 39.33 38.55 3cf5 h ASP 40 CO -0.08 0.73 -0.82 -0.09 -1.57 0.00 0.00 179.24 177.41 3cf5 h ARG 41 N 1.04 0.00 0.00 3.56 2.43 0.23 -3.40 114.38 118.24 3cf5 h ARG 41 Ca 0.27 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.44 3cf5 h ARG 41 Cb 0.00 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.55 3cf5 h ARG 41 CO -0.05 0.22 0.00 0.00 -1.51 0.00 0.00 179.97 178.63 3cf5 n ALA 42 N -2.24 0.00 -0.25 2.80 0.00 0.18 -4.28 120.51 116.72 3cf5 n ALA 42 Ca -0.02 0.00 0.20 0.00 0.00 0.00 0.00 53.44 53.62 3cf5 n ALA 42 Cb 0.68 0.00 0.32 0.00 0.00 0.00 0.00 19.45 20.45 3cf5 n ALA 42 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 3cf5 n PHE 43 N -0.01 0.18 0.00 0.00 7.35 -0.03 -1.58 117.46 123.37 3cf5 n PHE 43 Ca 0.00 0.18 0.00 0.00 -0.76 0.00 0.00 57.45 56.87 3cf5 n PHE 43 Cb 0.00 -0.49 0.00 0.00 0.35 0.00 0.00 39.48 39.34 3cf5 n PHE 43 CO 0.00 0.00 0.00 -2.13 -0.76 0.00 0.00 176.76 173.87 3cf5 n ARG 44 N -3.24 0.00 0.00 -4.13 0.63 -1.26 0.31 116.66 108.97 3cf5 n ARG 44 Ca 0.18 0.80 0.00 0.00 -0.92 0.00 0.00 57.85 57.92 3cf5 n ARG 44 Cb 0.75 -1.23 0.00 0.00 0.45 0.00 0.00 32.46 32.43 3cf5 n ARG 44 CO 0.00 0.00 0.00 1.04 -2.51 0.00 0.00 177.63 176.16 3cf5 n GLN 45 N -2.61 0.00 0.05 -0.14 1.13 -0.61 -3.52 117.38 111.67 3cf5 n GLN 45 Ca 0.00 0.01 0.15 0.00 -1.94 0.00 0.00 57.00 55.22 3cf5 n GLN 45 Cb 0.00 -0.68 0.25 0.00 0.11 0.00 0.00 30.24 29.92 3cf5 n GLN 45 CO 0.00 0.00 0.00 1.96 -1.44 0.00 0.00 177.06 177.58 3cf5 h GLN 46 N 0.00 0.00 0.00 -1.09 4.20 -1.72 -3.45 115.11 113.04 3cf5 h GLN 46 Ca 0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 3cf5 h GLN 46 Cb 0.00 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.78 3cf5 h GLN 46 CO 0.00 0.00 0.00 0.45 -0.67 0.00 0.00 178.83 178.61 3cf5 n SER 47 N -2.91 0.00 -4.01 1.46 2.88 0.15 -1.69 113.62 109.50 3cf5 n SER 47 Ca 0.12 0.00 -0.39 0.00 -1.33 0.00 0.00 58.87 57.27 3cf5 n SER 47 Cb 1.25 0.00 -0.02 0.00 -0.75 0.00 0.00 64.21 64.69 3cf5 n SER 47 CO 0.00 0.00 0.00 0.35 -1.23 0.00 0.00 175.04 174.16 3cf5 n THR 48 N 0.00 4.14 0.00 2.46 -2.24 -1.26 -3.72 114.28 113.66 3cf5 n THR 48 Ca 0.00 -5.51 0.00 0.00 -2.27 0.00 0.00 64.05 56.27 3cf5 n THR 48 Cb 0.00 -2.26 0.00 0.00 -2.10 0.00 0.00 70.33 65.97 3cf5 n THR 48 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 3cf5 n THR 49 N 1.77 0.00 -3.45 4.28 -2.24 -1.11 -4.41 114.28 109.11 3cf5 n THR 49 Ca 0.25 0.00 -0.06 0.00 -2.27 0.00 0.00 64.05 61.97 3cf5 n THR 49 Cb 0.36 0.00 -0.07 0.00 -2.10 0.00 0.00 70.33 68.53 3cf5 n THR 49 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 3cf5 s GLY 50 N 0.00 -0.53 -0.13 3.38 0.00 -0.68 -4.44 107.32 104.92 3cf5 s GLY 50 Ca 0.00 1.42 -0.06 0.00 0.00 0.00 0.00 44.72 46.08 3cf5 s GLY 50 CO 0.00 2.74 0.11 0.48 0.00 0.00 0.00 173.10 176.43 3cf5 s LEU 51 N 2.66 4.18 0.06 0.66 2.34 -1.26 -4.09 118.68 123.23 3cf5 s LEU 51 Ca 0.07 0.36 -0.00 0.00 0.06 0.00 0.00 54.13 54.62 3cf5 s LEU 51 Cb -0.14 -2.02 -0.04 0.00 -0.56 0.00 0.00 46.19 43.44 3cf5 s LEU 51 CO -0.16 0.37 -0.04 0.12 -1.06 0.00 0.00 176.35 175.58 3cf5 s PHE 52 N -0.78 0.59 0.04 3.48 5.36 -1.21 -4.96 117.98 120.50 3cf5 s PHE 52 Ca 0.13 -0.98 -0.32 0.00 -0.96 0.00 0.00 56.93 54.80 3cf5 s PHE 52 Cb -0.12 -0.40 -0.11 0.00 -0.34 0.00 0.00 43.02 42.05 3cf5 s PHE 52 CO 0.03 -0.31 1.84 -0.25 -1.46 0.00 0.00 175.22 175.07 3cf5 n ASP 53 N 0.22 3.73 -3.88 6.13 10.43 -1.26 -4.23 116.55 127.68 3cf5 n ASP 53 Ca -0.15 0.98 -0.29 0.00 2.57 0.00 0.00 54.79 57.91 3cf5 n ASP 53 Cb 0.60 -1.47 -0.12 0.00 1.84 0.00 0.00 41.12 41.97 3cf5 n ASP 53 CO 0.00 0.00 0.00 -0.63 -1.07 0.00 0.00 177.20 175.50 3cf5 s ILE 54 N 3.22 2.62 -1.21 0.53 1.01 -0.65 -3.51 121.20 123.21 3cf5 s ILE 54 Ca 0.86 -3.89 -0.07 0.00 0.00 0.00 0.00 60.65 57.55 3cf5 s ILE 54 Cb -0.57 -2.75 0.21 0.00 0.01 0.00 0.00 42.46 39.36 3cf5 s ILE 54 CO 0.43 -0.96 1.82 0.41 0.00 0.00 0.00 174.94 176.63 3cf5 n THR 55 N 2.36 4.82 -1.52 2.92 -1.04 -1.25 -1.02 114.28 119.55 3cf5 n THR 55 Ca 0.16 -4.92 -0.47 0.00 -2.04 0.00 0.00 64.05 56.78 3cf5 n THR 55 Cb 0.35 -2.21 -0.03 0.00 -1.82 0.00 0.00 70.33 66.63 3cf5 n THR 55 CO 0.00 0.00 0.00 0.52 -0.64 0.00 0.00 175.07 174.95 3cf5 n VAL 56 N 2.40 1.80 -1.17 12.58 0.31 -1.26 -4.50 118.33 128.49 3cf5 n VAL 56 Ca 0.38 -0.45 -0.47 0.00 -0.01 0.00 0.00 64.34 63.79 3cf5 n VAL 56 Cb 0.34 -0.61 -0.08 0.00 -0.91 0.00 0.00 33.84 32.58 3cf5 n VAL 56 CO 0.00 0.00 0.00 1.21 -1.32 0.00 0.00 176.83 176.72 3cf5 n GLU 57 N 0.97 0.00 0.00 5.55 2.13 -0.99 -2.31 120.64 125.99 3cf5 n GLU 57 Ca 0.13 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.95 3cf5 n GLU 57 Cb 0.28 -1.08 0.00 0.00 0.27 0.00 0.00 31.44 30.91 3cf5 n GLU 57 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 3cf5 n GLY 58 N 3.48 1.28 1.61 8.31 0.00 -1.26 -4.92 105.19 113.69 3cf5 n GLY 58 Ca 0.26 0.00 -0.00 0.00 0.00 0.00 0.00 46.02 46.28 3cf5 n GLY 58 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3cf5 n GLY 59 N 0.00 -0.37 2.32 -0.02 0.00 -0.98 -5.06 105.19 101.08 3cf5 n GLY 59 Ca 0.00 -0.15 -0.18 0.00 0.00 0.00 0.00 46.02 45.69 3cf5 n GLY 59 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3cf5 n GLU 60 N -1.06 0.88 -1.50 1.61 1.02 -1.26 -5.03 120.64 115.30 3cf5 n GLU 60 Ca -0.00 -2.97 -0.55 0.00 -0.02 0.00 0.00 57.16 53.62 3cf5 n GLU 60 Cb 0.50 -1.44 -0.07 0.00 -0.02 0.00 0.00 31.44 30.42 3cf5 n GLU 60 CO 0.00 0.00 0.00 2.41 1.18 0.00 0.00 177.13 180.72 3cf5 n THR 61 N 0.77 0.39 -4.26 2.62 -1.04 -1.26 -4.41 114.28 107.09 3cf5 n THR 61 Ca 0.20 -0.10 -0.17 0.00 -2.04 0.00 0.00 64.05 61.94 3cf5 n THR 61 Cb 0.62 -0.18 -0.11 0.00 -1.82 0.00 0.00 70.33 68.85 3cf5 n THR 61 CO 0.00 0.00 0.00 -0.36 -0.64 0.00 0.00 175.07 174.07 3cf5 s PHE 62 N -0.11 1.39 -0.12 -1.42 2.99 -0.19 -4.90 117.98 115.63 3cf5 s PHE 62 Ca 0.84 -0.63 0.02 0.00 0.00 0.00 0.00 56.93 57.16 3cf5 s PHE 62 Cb -1.14 -0.70 -0.00 0.00 0.00 0.00 0.00 43.02 41.17 3cf5 s PHE 62 CO 0.55 0.16 -0.19 -1.25 -0.00 0.00 0.00 175.22 174.48 3cf5 s PRO 63 N -3.22 3.16 0.17 0.24 0.04 -1.26 -1.63 135.00 132.50 3cf5 s PRO 63 Ca 0.14 -0.80 -0.17 0.00 0.04 0.00 0.00 61.00 60.20 3cf5 s PRO 63 Cb -0.02 -2.46 0.03 0.00 0.04 0.00 0.00 34.50 32.10 3cf5 s PRO 63 CO 0.03 0.13 0.49 0.00 0.04 0.00 0.00 177.00 177.68 3cf5 s ALA 64 N 0.51 -0.98 0.02 8.56 0.00 -1.26 0.14 121.76 128.74 3cf5 s ALA 64 Ca -0.13 -0.11 0.08 0.00 0.00 0.00 0.00 51.96 51.80 3cf5 s ALA 64 Cb -0.17 0.81 -0.02 0.00 0.00 0.00 0.00 23.12 23.74 3cf5 s ALA 64 CO 0.05 -0.75 -0.23 -1.17 0.00 0.00 0.00 175.76 173.66 3cf5 s LEU 65 N -2.84 2.11 -0.21 0.00 2.96 -0.60 -3.30 118.68 116.80 3cf5 s LEU 65 Ca 0.07 -0.49 -0.28 0.00 -0.22 0.00 0.00 54.13 53.20 3cf5 s LEU 65 Cb -0.00 -1.16 -0.05 0.00 0.50 0.00 0.00 46.19 45.48 3cf5 s LEU 65 CO -0.07 0.25 2.19 -0.69 -1.32 0.00 0.00 176.35 176.71 3cf5 s VAL 66 N -0.68 3.03 0.00 1.68 1.01 -1.26 0.14 120.40 124.33 3cf5 s VAL 66 Ca 0.09 0.03 0.00 0.00 0.00 0.00 0.00 61.98 62.11 3cf5 s VAL 66 Cb -0.09 -3.04 0.00 0.00 0.00 0.00 0.00 36.38 33.25 3cf5 s VAL 66 CO 0.01 -0.03 0.00 1.17 0.00 0.00 0.00 175.10 176.25 3cf5 n LYS 67 N 8.68 0.00 -3.67 2.72 3.00 0.37 -4.63 118.16 124.63 3cf5 n LYS 67 Ca 0.29 0.11 -0.14 0.00 -0.00 0.00 0.00 58.31 58.57 3cf5 n LYS 67 Cb 0.45 -0.54 -0.14 0.00 0.00 0.00 0.00 35.03 34.80 3cf5 n LYS 67 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 3cf5 s ALA 68 N -3.87 -0.47 -0.18 3.14 0.00 -1.18 -4.96 121.76 114.24 3cf5 s ALA 68 Ca 0.00 0.86 -0.07 0.00 0.00 0.00 0.00 51.96 52.76 3cf5 s ALA 68 Cb 0.00 -0.94 -0.04 0.00 0.00 0.00 0.00 23.12 22.14 3cf5 s ALA 68 CO 0.00 -0.59 0.04 0.08 0.00 0.00 0.00 175.76 175.29 3cf5 s VAL 69 N 2.30 4.59 -0.37 0.00 1.01 -1.26 -1.90 120.40 124.76 3cf5 s VAL 69 Ca 0.01 -0.11 0.01 0.00 0.00 0.00 0.00 61.98 61.89 3cf5 s VAL 69 Cb -0.12 -3.06 0.10 0.00 0.00 0.00 0.00 36.38 33.31 3cf5 s VAL 69 CO -0.08 0.47 0.11 -1.10 0.00 0.00 0.00 175.10 174.50 3cf5 s GLN 70 N 0.37 1.74 0.53 2.72 -1.52 0.20 -4.98 119.66 118.71 3cf5 s GLN 70 Ca 0.01 -1.83 -0.04 0.00 -1.95 0.00 0.00 55.36 51.55 3cf5 s GLN 70 Cb -0.13 -3.37 -0.01 0.00 -0.22 0.00 0.00 33.01 29.29 3cf5 s GLN 70 CO 0.01 -0.99 0.81 0.00 -0.25 0.00 0.00 175.29 174.87 3cf5 s MET 71 N 1.01 3.11 0.40 2.91 0.23 -1.26 -2.28 119.30 123.42 3cf5 s MET 71 Ca 0.09 -0.09 -0.26 0.00 -1.03 0.00 0.00 55.69 54.41 3cf5 s MET 71 Cb -0.21 -2.37 -0.08 0.00 -1.53 0.00 0.00 34.83 30.63 3cf5 s MET 71 CO -0.06 -0.46 1.22 0.34 -2.03 0.00 0.00 175.02 174.02 3cf5 s ASP 72 N -4.23 6.43 0.64 -1.18 3.68 0.52 -4.78 116.67 117.74 3cf5 s ASP 72 Ca 0.51 2.47 -0.03 0.00 2.13 0.00 0.00 52.55 57.62 3cf5 s ASP 72 Cb -0.10 -2.62 0.05 0.00 -1.45 0.00 0.00 42.92 38.79 3cf5 s ASP 72 CO 0.43 -0.75 0.91 -0.54 0.13 0.00 0.00 175.17 175.35 3cf5 s LYS 73 N -2.27 2.35 0.00 4.34 1.02 -1.26 -3.73 119.74 120.19 3cf5 s LYS 73 Ca 0.57 -0.48 0.00 0.00 0.02 0.00 0.00 55.97 56.08 3cf5 s LYS 73 Cb -0.34 -2.31 0.00 0.00 -0.52 0.00 0.00 37.83 34.66 3cf5 s LYS 73 CO 0.43 -1.00 0.00 0.54 -0.92 0.00 0.00 175.35 174.39 3cf5 n ARG 74 N -2.67 0.00 -3.60 1.68 1.74 -1.26 -4.72 116.66 107.83 3cf5 n ARG 74 Ca 0.08 0.00 -0.23 0.00 -0.77 0.00 0.00 57.85 56.92 3cf5 n ARG 74 Cb 0.60 -2.00 -0.16 0.00 -1.02 0.00 0.00 32.46 29.88 3cf5 n ARG 74 CO 0.00 0.00 0.00 0.15 -1.52 0.00 0.00 177.63 176.26 3cf5 s LYS 75 N 0.00 0.06 0.00 5.56 1.02 -1.24 -4.98 119.74 120.16 3cf5 s LYS 75 Ca 0.00 0.06 0.00 0.00 0.02 0.00 0.00 55.97 56.05 3cf5 s LYS 75 Cb 0.00 -1.47 0.00 0.00 -0.52 0.00 0.00 37.83 35.84 3cf5 s LYS 75 CO 0.00 -0.60 0.58 0.54 -0.92 0.00 0.00 175.35 174.95 3cf5 n ARG 76 N 5.29 0.00 -1.73 1.68 1.74 -1.25 -3.91 116.66 118.48 3cf5 n ARG 76 Ca -0.06 0.17 -0.42 0.00 -0.77 0.00 0.00 57.85 56.77 3cf5 n ARG 76 Cb 0.49 -1.61 -0.01 0.00 -1.02 0.00 0.00 32.46 30.32 3cf5 n ARG 76 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3cf5 n ALA 77 N -1.08 1.81 -2.46 7.54 0.00 -1.26 -4.65 120.51 120.40 3cf5 n ALA 77 Ca 0.00 0.36 -0.30 0.00 0.00 0.00 0.00 53.44 53.50 3cf5 n ALA 77 Cb 0.11 -2.34 -0.04 0.00 0.00 0.00 0.00 19.45 17.18 3cf5 n ALA 77 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 3cf5 s PRO 78 N -1.67 3.70 0.00 0.00 0.04 -1.26 0.19 135.00 136.00 3cf5 s PRO 78 Ca 0.57 0.13 0.00 0.00 0.04 0.00 0.00 61.00 61.73 3cf5 s PRO 78 Cb -0.53 -2.63 0.00 0.00 0.04 0.00 0.00 34.50 31.37 3cf5 s PRO 78 CO 0.60 0.24 0.00 1.51 0.04 0.00 0.00 177.00 179.39 3cf5 n ILE 79 N -0.65 0.00 -4.40 0.56 3.06 -1.20 -4.69 119.36 112.03 3cf5 n ILE 79 Ca -0.01 0.00 -0.27 0.00 -2.50 0.00 0.00 62.75 59.97 3cf5 n ILE 79 Cb 0.53 -1.11 -0.11 0.00 0.54 0.00 0.00 39.64 39.49 3cf5 n ILE 79 CO 0.00 0.00 0.00 -2.28 -2.50 0.00 0.00 176.55 171.77 3cf5 s HIS 80 N -1.96 2.36 0.12 9.51 2.46 -0.96 -3.41 115.29 123.40 3cf5 s HIS 80 Ca 0.00 -0.34 -0.00 0.00 0.47 0.00 0.00 55.06 55.19 3cf5 s HIS 80 Cb 0.00 -1.17 -0.04 0.00 -0.13 0.00 0.00 32.58 31.24 3cf5 s HIS 80 CO 0.00 0.50 0.02 0.08 -2.47 0.00 0.00 174.74 172.86 3cf5 s VAL 81 N -1.66 0.31 -0.04 0.89 1.01 -1.16 -0.62 120.40 119.12 3cf5 s VAL 81 Ca 0.21 -1.91 -0.00 0.00 0.00 0.00 0.00 61.98 60.28 3cf5 s VAL 81 Cb -0.08 -1.93 0.03 0.00 0.00 0.00 0.00 36.38 34.40 3cf5 s VAL 81 CO 0.11 -0.61 -0.00 -1.81 0.00 0.00 0.00 175.10 172.78 3cf5 s ASP 82 N -3.05 0.91 -0.09 3.32 -0.00 -0.80 -2.97 116.67 113.99 3cf5 s ASP 82 Ca 0.20 -0.05 0.02 0.00 -0.00 0.00 0.00 52.55 52.71 3cf5 s ASP 82 Cb 0.07 -0.32 -0.02 0.00 -0.00 0.00 0.00 42.92 42.65 3cf5 s ASP 82 CO -0.01 -0.13 -0.15 -0.36 -0.00 0.00 0.00 175.17 174.53 3cf5 s PHE 83 N 1.35 2.73 -0.66 4.23 0.40 0.58 0.14 117.98 126.74 3cf5 s PHE 83 Ca -0.05 -0.44 -0.03 0.00 -0.60 0.00 0.00 56.93 55.80 3cf5 s PHE 83 Cb -0.13 -1.73 0.17 0.00 0.51 0.00 0.00 43.02 41.84 3cf5 s PHE 83 CO -0.02 -0.04 0.49 -0.47 0.70 0.00 0.00 175.22 175.87 3cf5 s TYR 84 N -0.16 3.45 -0.18 0.36 5.04 0.38 -2.43 117.35 123.82 3cf5 s TYR 84 Ca -0.01 -2.72 -0.22 0.00 -2.44 0.00 0.00 57.07 51.68 3cf5 s TYR 84 Cb -0.13 -3.23 -0.10 0.00 0.35 0.00 0.00 41.96 38.85 3cf5 s TYR 84 CO 0.03 -0.83 0.71 -1.33 -1.34 0.00 0.00 175.55 172.79 3cf5 n MET 85 N 3.37 0.00 -1.66 4.97 2.81 -0.28 -1.56 117.12 124.77 3cf5 n MET 85 Ca 0.10 0.00 -0.38 0.00 -1.81 0.00 0.00 57.70 55.61 3cf5 n MET 85 Cb 0.38 -0.72 0.05 0.00 -0.71 0.00 0.00 33.22 32.22 3cf5 n MET 85 CO 0.00 0.00 0.00 0.28 1.51 0.00 0.00 175.97 177.76 3cf5 n VAL 86 N 1.62 4.02 0.00 2.03 0.31 0.36 -4.72 118.33 121.95 3cf5 n VAL 86 Ca 0.14 -0.50 0.00 0.00 -0.01 0.00 0.00 64.34 63.97 3cf5 n VAL 86 Cb -0.01 -1.31 0.00 0.00 -0.91 0.00 0.00 33.84 31.60 3cf5 n VAL 86 CO 0.00 0.00 0.00 0.41 -1.32 0.00 0.00 176.83 175.92 3cf5 n THR 87 N -1.64 0.00 0.00 2.52 -1.04 -1.26 -4.77 114.28 108.09 3cf5 n THR 87 Ca 0.14 0.24 0.00 0.00 -2.04 0.00 0.00 64.05 62.39 3cf5 n THR 87 Cb 0.47 -1.11 0.00 0.00 -1.82 0.00 0.00 70.33 67.87 3cf5 n THR 87 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3cf5 n TYR 88 N -1.79 0.00 0.08 -1.42 9.36 -1.26 -4.94 117.16 117.19 3cf5 n TYR 88 Ca 0.00 0.00 0.01 0.00 3.32 0.00 0.00 57.90 61.23 3cf5 n TYR 88 Cb 0.00 0.00 -0.01 0.00 -0.63 0.00 0.00 39.34 38.70 3cf5 n TYR 88 CO 0.00 0.00 0.00 0.41 0.22 0.00 0.00 176.86 177.49 3cf5 n GLY 89 N 0.00 0.31 3.50 2.98 0.00 -1.26 -4.46 105.19 106.26 3cf5 n GLY 89 Ca 0.00 -0.05 0.00 0.00 0.00 0.00 0.00 46.02 45.97 3cf5 n GLY 89 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3cf5 s GLU 90 N -0.91 0.34 -0.18 1.61 0.41 -1.26 -4.43 118.70 114.29 3cf5 s GLU 90 Ca 0.01 0.76 -0.06 0.00 -0.41 0.00 0.00 54.97 55.27 3cf5 s GLU 90 Cb 0.01 0.35 -0.22 0.00 -1.78 0.00 0.00 34.13 32.49 3cf5 s GLU 90 CO 0.06 -0.10 0.15 -0.35 -0.49 0.00 0.00 175.26 174.52 3cf5 n PRO 91 N 4.60 0.70 0.00 0.39 -0.04 -1.26 -4.50 135.00 134.89 3cf5 n PRO 91 Ca -0.12 0.26 0.00 0.00 -0.04 0.00 0.00 63.50 63.60 3cf5 n PRO 91 Cb 0.54 -1.65 0.00 0.00 -0.04 0.00 0.00 33.50 32.35 3cf5 n PRO 91 CO 0.00 0.00 0.00 1.33 -0.04 0.00 0.00 175.50 176.79 3cf5 n VAL 92 N -3.55 0.00 -3.83 0.52 0.24 -1.26 -4.91 118.33 105.54 3cf5 n VAL 92 Ca -0.37 0.00 -0.10 0.00 -2.04 0.00 0.00 64.34 61.83 3cf5 n VAL 92 Cb 0.99 0.00 -0.08 0.00 -1.47 0.00 0.00 33.84 33.28 3cf5 n VAL 92 CO 0.00 0.00 0.00 -1.61 -2.14 0.00 0.00 176.83 173.08 3cf5 s GLU 93 N 0.00 0.78 0.33 7.34 2.02 -1.26 -3.46 118.70 124.45 3cf5 s GLU 93 Ca 0.00 -0.72 0.03 0.00 0.02 0.00 0.00 54.97 54.30 3cf5 s GLU 93 Cb 0.00 0.32 -0.06 0.00 0.10 0.00 0.00 34.13 34.50 3cf5 s GLU 93 CO 0.00 -0.24 0.07 0.08 0.02 0.00 0.00 175.26 175.19 3cf5 s VAL 94 N -3.05 1.02 -0.30 2.63 1.01 -1.17 -4.95 120.40 115.57 3cf5 s VAL 94 Ca -0.01 -2.00 -0.05 0.00 0.00 0.00 0.00 61.98 59.92 3cf5 s VAL 94 Cb 0.01 -2.70 0.03 0.00 0.00 0.00 0.00 36.38 33.72 3cf5 s VAL 94 CO -0.07 0.00 0.05 -0.44 0.00 0.00 0.00 175.10 174.65 3cf5 s SER 95 N -3.49 5.03 -0.12 3.32 0.01 -1.26 -1.34 113.70 115.85 3cf5 s SER 95 Ca 0.34 -0.97 0.01 0.00 1.31 0.00 0.00 55.95 56.65 3cf5 s SER 95 Cb 0.08 -1.82 -0.01 0.00 0.21 0.00 0.00 66.02 64.47 3cf5 s SER 95 CO 0.15 -0.24 -0.15 -0.69 0.41 0.00 0.00 173.24 172.72 3cf5 s VAL 96 N 1.40 2.90 0.24 3.43 1.01 0.79 -4.79 120.40 125.38 3cf5 s VAL 96 Ca -0.00 -0.73 -0.30 0.00 0.00 0.00 0.00 61.98 60.95 3cf5 s VAL 96 Cb -0.18 -2.19 -0.09 0.00 0.00 0.00 0.00 36.38 33.91 3cf5 s VAL 96 CO 0.01 0.54 1.30 -2.16 0.00 0.00 0.00 175.10 174.79 3cf5 s PRO 97 N 0.22 4.39 -0.04 2.72 0.04 -1.26 0.42 135.00 141.49 3cf5 s PRO 97 Ca -0.10 2.09 -0.25 0.00 0.04 0.00 0.00 61.00 62.79 3cf5 s PRO 97 Cb -0.16 -3.16 -0.04 0.00 0.04 0.00 0.00 34.50 31.19 3cf5 s PRO 97 CO 0.06 -0.21 0.76 0.08 0.04 0.00 0.00 177.00 177.72 3cf5 s VAL 98 N -0.30 4.99 0.01 -0.36 1.01 -0.07 -3.11 120.40 122.56 3cf5 s VAL 98 Ca 0.54 1.58 0.05 0.00 0.00 0.00 0.00 61.98 64.15 3cf5 s VAL 98 Cb -0.37 -4.10 -0.02 0.00 0.00 0.00 0.00 36.38 31.89 3cf5 s VAL 98 CO 0.42 0.24 -0.16 -1.00 0.00 0.00 0.00 175.10 174.60 3cf5 s HIS 99 N 0.76 1.45 0.34 5.22 3.76 -0.90 -4.89 115.29 121.03 3cf5 s HIS 99 Ca 0.40 -0.30 0.02 0.00 -0.15 0.00 0.00 55.06 55.03 3cf5 s HIS 99 Cb -0.19 -0.91 -0.03 0.00 1.11 0.00 0.00 32.58 32.57 3cf5 s HIS 99 CO 0.20 0.01 0.53 0.99 -0.85 0.00 0.00 174.74 175.62 3cf5 s THR 100 N -0.54 4.91 -0.20 1.30 2.01 -1.26 0.27 115.64 122.13 3cf5 s THR 100 Ca 0.05 -0.60 -0.27 0.00 0.31 0.00 0.00 61.69 61.18 3cf5 s THR 100 Cb -0.07 -3.78 0.08 0.00 0.01 0.00 0.00 72.50 68.74 3cf5 s THR 100 CO 0.00 -0.46 0.78 0.42 -0.69 0.00 0.00 174.62 174.67 3cf5 s THR 101 N -2.28 0.00 0.23 -0.82 -4.23 -0.90 -4.65 115.64 102.99 3cf5 s THR 101 Ca 0.40 0.00 0.00 0.00 -1.18 0.00 0.00 61.69 60.91 3cf5 s THR 101 Cb -0.10 -1.00 0.00 0.00 1.34 0.00 0.00 72.50 72.74 3cf5 s THR 101 CO 0.35 0.00 0.00 0.61 -0.54 0.00 0.00 174.62 175.04 3cf5 n GLY 102 N 1.99 -4.11 3.69 3.99 0.00 -1.26 -4.13 105.19 105.36 3cf5 n GLY 102 Ca -0.15 -0.77 -0.44 0.00 0.00 0.00 0.00 46.02 44.67 3cf5 n GLY 102 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 3cf5 n ARG 103 N -0.32 2.22 -3.09 1.61 0.63 -1.26 -4.23 116.66 112.22 3cf5 n ARG 103 Ca 0.00 0.79 -0.32 0.00 -0.92 0.00 0.00 57.85 57.40 3cf5 n ARG 103 Cb 0.00 -2.46 -0.06 0.00 0.45 0.00 0.00 32.46 30.39 3cf5 n ARG 103 CO 0.00 0.00 0.00 -1.12 -2.51 0.00 0.00 177.63 174.00 3cf5 s SER 104 N 0.25 6.74 -1.32 6.15 0.01 -1.26 -4.33 113.70 119.94 3cf5 s SER 104 Ca 0.65 1.26 -0.11 0.00 1.31 0.00 0.00 55.95 59.07 3cf5 s SER 104 Cb -0.60 -2.37 0.14 0.00 0.21 0.00 0.00 66.02 63.40 3cf5 s SER 104 CO 0.51 -0.24 1.93 0.00 0.41 0.00 0.00 173.24 175.86 3cf5 n GLN 105 N -0.52 3.45 0.00 12.44 6.02 0.42 -2.82 117.38 136.37 3cf5 n GLN 105 Ca 0.03 -3.34 0.00 0.00 -0.01 0.00 0.00 57.00 53.68 3cf5 n GLN 105 Cb 0.53 -3.01 0.00 0.00 1.02 0.00 0.00 30.24 28.78 3cf5 n GLN 105 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3cf5 n GLY 106 N 3.15 0.17 0.00 1.08 0.00 -1.19 -2.80 105.19 105.60 3cf5 n GLY 106 Ca 0.42 -0.10 0.00 0.00 0.00 0.00 0.00 46.02 46.35 3cf5 n GLY 106 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 3cf5 n GLU 107 N -1.03 0.00 -0.20 1.61 2.13 -1.13 -0.72 120.64 121.30 3cf5 n GLU 107 Ca 0.00 0.15 -0.00 0.00 0.66 0.00 0.00 57.16 57.97 3cf5 n GLU 107 Cb 0.00 -1.11 0.08 0.00 0.27 0.00 0.00 31.44 30.67 3cf5 n GLU 107 CO 0.00 0.00 0.00 0.28 -0.41 0.00 0.00 177.13 177.00 3cf5 h VAL 108 N 0.00 0.44 0.00 6.31 2.07 -1.79 -3.02 116.25 120.27 3cf5 h VAL 108 Ca 0.00 -0.02 0.00 0.00 0.82 0.00 0.00 66.70 67.50 3cf5 h VAL 108 Cb 0.00 0.39 0.00 0.00 -1.52 0.00 0.00 31.29 30.16 3cf5 h VAL 108 CO 0.00 0.01 0.00 0.00 0.02 0.00 0.00 177.57 177.60 3cf5 n GLN 109 N -5.35 0.00 0.00 1.57 6.02 -1.19 -4.69 117.38 113.74 3cf5 n GLN 109 Ca 0.08 0.60 0.00 0.00 -0.01 0.00 0.00 57.00 57.67 3cf5 n GLN 109 Cb 0.33 -0.91 0.00 0.00 1.02 0.00 0.00 30.24 30.69 3cf5 n GLN 109 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3cf5 n GLY 110 N -0.99 0.05 0.19 1.08 0.00 -0.98 -5.04 105.19 99.50 3cf5 n GLY 110 Ca 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.01 3cf5 n GLY 110 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3cf5 n GLY 111 N 0.00 4.08 2.95 -0.02 0.00 0.10 -3.88 105.19 108.42 3cf5 n GLY 111 Ca 0.00 -1.98 -0.23 0.00 0.00 0.00 0.00 46.02 43.81 3cf5 n GLY 111 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3cf5 s LEU 112 N 0.00 1.42 0.04 0.99 2.96 0.26 -3.31 118.68 121.04 3cf5 s LEU 112 Ca 0.01 -0.23 -0.31 0.00 -0.22 0.00 0.00 54.13 53.38 3cf5 s LEU 112 Cb 0.00 -0.69 -0.06 0.00 0.50 0.00 0.00 46.19 45.94 3cf5 s LEU 112 CO 0.01 -0.03 1.35 -0.69 -1.32 0.00 0.00 176.35 175.67 3cf5 s VAL 113 N 0.97 3.68 -0.08 1.68 1.01 -1.26 0.20 120.40 126.60 3cf5 s VAL 113 Ca -0.09 1.14 0.02 0.00 0.00 0.00 0.00 61.98 63.04 3cf5 s VAL 113 Cb -0.15 -3.73 -0.02 0.00 0.00 0.00 0.00 36.38 32.48 3cf5 s VAL 113 CO 0.00 0.04 -0.12 -0.62 0.00 0.00 0.00 175.10 174.41 3cf5 s ASP 114 N 1.48 4.22 -0.98 3.32 3.68 0.16 -4.74 116.67 123.80 3cf5 s ASP 114 Ca 0.63 -0.18 -0.16 0.00 2.13 0.00 0.00 52.55 54.97 3cf5 s ASP 114 Cb -0.32 -1.14 0.17 0.00 -1.45 0.00 0.00 42.92 40.17 3cf5 s ASP 114 CO 0.28 0.30 1.11 -0.63 0.13 0.00 0.00 175.17 176.36 3cf5 s ILE 115 N -0.45 5.09 0.26 4.11 1.01 -1.26 0.79 121.20 130.74 3cf5 s ILE 115 Ca 0.06 -2.14 -0.04 0.00 0.00 0.00 0.00 60.65 58.53 3cf5 s ILE 115 Cb -0.12 -4.73 0.28 0.00 0.01 0.00 0.00 42.46 37.91 3cf5 s ILE 115 CO 0.02 -1.40 1.64 0.58 0.00 0.00 0.00 174.94 175.78 3cf5 h VAL 116 N 5.19 0.35 -3.41 2.92 2.07 -1.73 -3.36 116.25 118.28 3cf5 h VAL 116 Ca 0.18 -0.05 -0.67 0.00 0.82 0.00 0.00 66.70 66.98 3cf5 h VAL 116 Cb 0.98 0.18 -0.33 0.00 -1.52 0.00 0.00 31.29 30.61 3cf5 h VAL 116 CO 1.05 0.03 -0.78 0.68 0.02 0.00 0.00 177.57 178.57 3cf5 s VAL 117 N -6.05 2.66 0.00 2.57 -7.23 -0.64 -4.99 120.40 106.71 3cf5 s VAL 117 Ca -0.13 -0.99 0.00 0.00 -1.81 0.00 0.00 61.98 59.05 3cf5 s VAL 117 Cb 0.23 -2.30 0.00 0.00 0.56 0.00 0.00 36.38 34.88 3cf5 s VAL 117 CO 0.76 0.29 0.00 1.41 -0.31 0.00 0.00 175.10 177.25 3cf5 n HIS 118 N 4.65 0.00 -2.52 2.82 -0.00 -1.26 -4.62 115.22 114.30 3cf5 n HIS 118 Ca -0.18 0.00 -0.32 0.00 -0.00 0.00 0.00 57.72 57.23 3cf5 n HIS 118 Cb 0.48 0.00 -0.04 0.00 -0.00 0.00 0.00 29.99 30.43 3cf5 n HIS 118 CO 0.00 0.00 0.00 1.21 -0.00 0.00 0.00 176.34 177.55 3cf5 s ASN 119 N -1.74 6.62 -0.02 0.41 2.47 -1.26 -0.90 114.94 120.52 3cf5 s ASN 119 Ca 0.00 1.48 0.01 0.00 0.42 0.00 0.00 52.86 54.77 3cf5 s ASN 119 Cb 0.00 -2.47 0.02 0.00 -1.45 0.00 0.00 41.25 37.35 3cf5 s ASN 119 CO 0.00 -0.53 -0.02 -0.22 -3.72 0.00 0.00 177.10 172.60 3cf5 s LEU 120 N -3.98 1.50 -0.15 3.21 0.20 1.42 -4.82 118.68 116.06 3cf5 s LEU 120 Ca 0.57 -0.06 -0.18 0.00 0.69 0.00 0.00 54.13 55.15 3cf5 s LEU 120 Cb -0.10 -0.26 -0.04 0.00 -0.43 0.00 0.00 46.19 45.37 3cf5 s LEU 120 CO 0.30 -0.04 0.49 -1.58 -0.29 0.00 0.00 176.35 175.24 3cf5 s GLN 121 N 0.60 4.28 0.04 1.98 0.74 -1.26 0.28 119.66 126.31 3cf5 s GLN 121 Ca -0.06 0.43 0.09 0.00 0.05 0.00 0.00 55.36 55.86 3cf5 s GLN 121 Cb -0.10 -3.49 -0.03 0.00 1.10 0.00 0.00 33.01 30.50 3cf5 s GLN 121 CO -0.01 0.03 -0.26 0.96 -0.55 0.00 0.00 175.29 175.47 3cf5 s ILE 122 N 1.05 2.07 0.42 -2.34 -4.36 -0.45 -2.68 121.20 114.92 3cf5 s ILE 122 Ca 0.25 -1.35 -0.26 0.00 -0.26 0.00 0.00 60.65 59.03 3cf5 s ILE 122 Cb -0.15 -1.77 -0.09 0.00 1.25 0.00 0.00 42.46 41.70 3cf5 s ILE 122 CO 0.10 0.36 1.43 -0.69 0.24 0.00 0.00 174.94 176.37 3cf5 s VAL 123 N -0.79 2.14 0.00 8.37 1.01 0.37 -3.06 120.40 128.44 3cf5 s VAL 123 Ca 0.11 0.13 0.00 0.00 0.00 0.00 0.00 61.98 62.22 3cf5 s VAL 123 Cb -0.10 -3.08 0.00 0.00 0.00 0.00 0.00 36.38 33.20 3cf5 s VAL 123 CO 0.02 0.02 0.00 0.00 0.00 0.00 0.00 175.10 175.14 3cf5 n ALA 124 N 0.04 -1.01 -0.08 5.51 0.00 -1.22 -2.51 120.51 121.23 3cf5 n ALA 124 Ca 0.04 0.01 -0.14 0.00 0.00 0.00 0.00 53.44 53.34 3cf5 n ALA 124 Cb 0.41 -0.51 -0.06 0.00 0.00 0.00 0.00 19.45 19.29 3cf5 n ALA 124 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 3cf5 n PRO 125 N 1.20 0.34 0.00 0.00 -0.04 -1.26 -3.14 135.00 132.10 3cf5 n PRO 125 Ca 0.00 0.12 0.00 0.00 -0.04 0.00 0.00 63.50 63.58 3cf5 n PRO 125 Cb 0.00 -1.14 0.00 0.00 -0.04 0.00 0.00 33.50 32.32 3cf5 n PRO 125 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3cf5 n GLY 126 N 2.30 0.37 3.75 0.55 0.00 -1.26 -4.39 105.19 106.50 3cf5 n GLY 126 Ca -0.29 -0.81 -0.38 0.00 0.00 0.00 0.00 46.02 44.54 3cf5 n GLY 126 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 3cf5 s PRO 127 N -0.08 3.19 0.00 1.61 0.02 -1.26 -2.91 135.00 135.57 3cf5 s PRO 127 Ca 0.00 2.16 0.00 0.00 0.02 0.00 0.00 61.00 63.18 3cf5 s PRO 127 Cb 0.00 -2.25 0.00 0.00 0.02 0.00 0.00 34.50 32.27 3cf5 s PRO 127 CO 0.00 -1.12 0.00 2.89 -0.33 0.00 0.00 177.00 178.44 3cf5 n ARG 128 N -1.01 0.00 -3.31 5.54 1.85 -1.26 -4.65 116.66 113.82 3cf5 n ARG 128 Ca 0.10 0.00 -0.23 0.00 -1.00 0.00 0.00 57.85 56.72 3cf5 n ARG 128 Cb 0.46 0.00 -0.08 0.00 -1.05 0.00 0.00 32.46 31.78 3cf5 n ARG 128 CO 0.00 0.00 0.00 1.03 -0.01 0.00 0.00 177.63 178.65 3cf5 s ARG 129 N 0.00 0.86 -0.27 2.89 0.52 -1.15 -5.11 118.95 116.69 3cf5 s ARG 129 Ca 0.00 -1.77 0.01 0.00 -0.52 0.00 0.00 55.73 53.45 3cf5 s ARG 129 Cb 0.00 -1.15 0.05 0.00 0.52 0.00 0.00 34.95 34.38 3cf5 s ARG 129 CO 0.00 -1.34 -0.06 0.42 0.02 0.00 0.00 175.30 174.33 3cf5 s ILE 130 N 0.41 2.55 -0.48 1.52 1.09 -1.25 -4.63 121.20 120.41 3cf5 s ILE 130 Ca 0.29 -1.48 -0.43 0.00 -1.10 0.00 0.00 60.65 57.94 3cf5 s ILE 130 Cb -0.01 -2.46 -0.18 0.00 -1.06 0.00 0.00 42.46 38.75 3cf5 s ILE 130 CO -0.14 -0.03 2.12 -2.65 -0.10 0.00 0.00 174.94 174.14 3cf5 n PRO 131 N 4.53 0.15 -0.72 2.79 -0.02 -1.26 -4.83 135.00 135.64 3cf5 n PRO 131 Ca -0.14 0.04 -0.14 0.00 -2.02 0.00 0.00 63.50 61.24 3cf5 n PRO 131 Cb 0.43 -1.63 0.08 0.00 -0.02 0.00 0.00 33.50 32.37 3cf5 n PRO 131 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3cf5 n GLN 132 N 7.41 1.72 -3.41 -0.52 10.64 -1.26 -4.88 117.38 127.08 3cf5 n GLN 132 Ca 0.52 -1.64 0.00 0.00 -1.83 0.00 0.00 57.00 54.05 3cf5 n GLN 132 Cb -0.01 -1.64 0.00 0.00 -0.86 0.00 0.00 30.24 27.73 3cf5 n GLN 132 CO 0.00 0.00 0.00 -0.85 -1.83 0.00 0.00 177.06 174.38 3cf5 n GLU 133 N -0.26 -0.62 0.00 2.61 0.28 -1.26 -4.98 120.64 116.41 3cf5 n GLU 133 Ca 0.32 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 57.32 3cf5 n GLU 133 Cb 1.01 0.00 0.00 0.00 1.43 0.00 0.00 31.44 33.88 3cf5 n GLU 133 CO 0.00 0.00 0.00 -0.11 -0.16 0.00 0.00 177.13 176.86 3cf5 n LEU 134 N 0.00 0.00 -4.56 -1.84 7.94 -1.18 -4.68 117.00 112.67 3cf5 n LEU 134 Ca 0.00 0.00 -0.38 0.00 -1.11 0.00 0.00 56.01 54.52 3cf5 n LEU 134 Cb 0.00 0.00 0.05 0.00 0.53 0.00 0.00 43.42 44.00 3cf5 n LEU 134 CO 0.00 0.00 0.36 0.52 -1.11 0.00 0.00 177.39 177.16 3cf5 n VAL 135 N 0.00 3.16 -3.79 1.96 0.31 -1.26 -2.11 118.33 116.60 3cf5 n VAL 135 Ca 0.00 -0.49 -0.13 0.00 -0.01 0.00 0.00 64.34 63.72 3cf5 n VAL 135 Cb 0.00 -0.97 -0.10 0.00 -0.91 0.00 0.00 33.84 31.86 3cf5 n VAL 135 CO 0.00 0.00 0.00 -0.69 -1.32 0.00 0.00 176.83 174.82 3cf5 s VAL 136 N -1.62 0.05 0.93 2.52 1.01 0.76 -4.74 120.40 119.30 3cf5 s VAL 136 Ca 0.73 -0.41 -0.12 0.00 0.00 0.00 0.00 61.98 62.19 3cf5 s VAL 136 Cb -0.41 -0.51 0.15 0.00 0.00 0.00 0.00 36.38 35.60 3cf5 s VAL 136 CO 0.50 -0.22 1.09 -0.62 0.00 0.00 0.00 175.10 175.84 3cf5 s ASP 137 N -0.96 3.18 0.00 3.32 3.68 -1.26 -2.13 116.67 122.50 3cf5 s ASP 137 Ca -0.10 1.50 0.00 0.00 2.13 0.00 0.00 52.55 56.08 3cf5 s ASP 137 Cb -0.05 -2.17 0.00 0.00 -1.45 0.00 0.00 42.92 39.25 3cf5 s ASP 137 CO 0.03 -2.82 0.00 1.33 0.13 0.00 0.00 175.17 173.83 3cf5 n VAL 138 N -4.01 0.00 -0.19 1.11 0.24 -1.26 -4.74 118.33 109.48 3cf5 n VAL 138 Ca 0.07 0.00 -0.06 0.00 -2.04 0.00 0.00 64.34 62.31 3cf5 n VAL 138 Cb 0.55 0.00 -0.05 0.00 -1.47 0.00 0.00 33.84 32.87 3cf5 n VAL 138 CO 0.00 0.00 0.00 0.74 -2.14 0.00 0.00 176.83 175.43 3cf5 h THR 139 N 0.00 0.00 -0.94 3.34 2.02 -1.75 -0.48 112.91 115.10 3cf5 h THR 139 Ca 0.00 0.00 0.17 0.00 0.77 0.00 0.00 66.41 67.35 3cf5 h THR 139 Cb 0.00 0.00 -0.17 0.00 -1.74 0.00 0.00 68.15 66.24 3cf5 h THR 139 CO 0.00 0.00 -0.29 0.07 0.37 0.00 0.00 175.52 175.67 3cf5 h LYS 140 N -0.05 -0.01 -5.77 6.66 2.10 -1.90 1.23 116.57 118.83 3cf5 h LYS 140 Ca 0.07 0.00 -0.78 0.00 -2.00 0.00 0.00 60.65 57.95 3cf5 h LYS 140 Cb 0.24 0.00 0.04 0.00 -0.90 0.00 0.00 32.23 31.61 3cf5 h LYS 140 CO -0.46 -0.01 0.17 -1.33 -2.00 0.00 0.00 179.45 175.83 3cf5 n MET 141 N -5.55 0.00 0.00 0.07 2.81 -0.19 -4.52 117.12 109.74 3cf5 n MET 141 Ca 0.13 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 56.02 3cf5 n MET 141 Cb 0.45 -1.44 0.00 0.00 -0.71 0.00 0.00 33.22 31.51 3cf5 n MET 141 CO 0.00 0.00 0.00 0.09 1.51 0.00 0.00 175.97 177.57 3cf5 n ASN 142 N 1.91 0.00 -3.75 7.83 3.02 -1.12 -2.85 115.26 120.30 3cf5 n ASN 142 Ca 0.21 0.00 -0.42 0.00 -0.03 0.00 0.00 54.58 54.35 3cf5 n ASN 142 Cb 0.05 0.00 0.01 0.00 -0.61 0.00 0.00 39.78 39.23 3cf5 n ASN 142 CO 0.00 0.00 0.00 -0.38 -2.62 0.00 0.00 177.26 174.26 3cf5 n ILE 143 N 0.00 5.14 0.00 2.41 5.41 -1.26 -4.29 119.36 126.77 3cf5 n ILE 143 Ca 0.00 -5.02 0.00 0.00 1.00 0.00 0.00 62.75 58.73 3cf5 n ILE 143 Cb 0.00 -2.07 0.00 0.00 -0.71 0.00 0.00 39.64 36.86 3cf5 n ILE 143 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 3cf5 n GLY 144 N 1.65 0.91 3.55 7.39 0.00 -1.21 -5.03 105.19 112.46 3cf5 n GLY 144 Ca 0.44 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 46.04 3cf5 n GLY 144 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3cf5 s ASP 145 N -1.62 6.40 -0.01 1.61 -0.00 -1.26 -4.84 116.67 116.95 3cf5 s ASP 145 Ca 0.00 -0.02 -0.13 0.00 -0.00 0.00 0.00 52.55 52.41 3cf5 s ASP 145 Cb 0.00 -2.34 -0.05 0.00 -0.00 0.00 0.00 42.92 40.53 3cf5 s ASP 145 CO 0.00 -0.69 0.36 -1.00 -0.00 0.00 0.00 175.17 173.83 3cf5 s HIS 146 N 2.83 3.69 -0.10 4.23 3.76 -1.26 -1.37 115.29 127.06 3cf5 s HIS 146 Ca 0.25 0.88 0.02 0.00 -0.15 0.00 0.00 55.06 56.06 3cf5 s HIS 146 Cb -0.14 -2.21 0.01 0.00 1.11 0.00 0.00 32.58 31.36 3cf5 s HIS 146 CO 0.17 0.64 -0.15 0.42 -0.85 0.00 0.00 174.74 174.97 3cf5 s ILE 147 N -1.12 1.49 0.45 0.60 -1.09 -0.24 -4.96 121.20 116.34 3cf5 s ILE 147 Ca 0.24 -0.65 0.07 0.00 -2.23 0.00 0.00 60.65 58.08 3cf5 s ILE 147 Cb -0.15 -1.36 -0.00 0.00 -1.58 0.00 0.00 42.46 39.36 3cf5 s ILE 147 CO 0.12 0.44 0.42 0.42 -1.23 0.00 0.00 174.94 175.12 3cf5 s THR 148 N 0.93 2.46 0.35 2.92 -4.23 -1.26 0.11 115.64 116.92 3cf5 s THR 148 Ca -0.08 -1.33 0.03 0.00 -1.18 0.00 0.00 61.69 59.13 3cf5 s THR 148 Cb -0.15 -2.78 0.24 0.00 1.34 0.00 0.00 72.50 71.14 3cf5 s THR 148 CO -0.01 0.00 1.98 0.00 -0.54 0.00 0.00 174.62 176.05 3cf5 h ALA 149 N 0.90 1.51 0.00 3.99 0.00 -0.46 -1.61 119.26 123.59 3cf5 h ALA 149 Ca -0.40 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.44 3cf5 h ALA 149 Cb 1.27 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 18.83 3cf5 h ALA 149 CO 0.56 0.42 0.00 0.41 0.00 0.00 0.00 179.25 180.63 3cf5 n GLY 150 N -1.31 1.06 1.52 0.00 0.00 -0.86 -2.97 105.19 102.62 3cf5 n GLY 150 Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.07 3cf5 n GLY 150 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3cf5 n ASP 151 N 0.61 0.44 -4.64 1.61 10.43 -0.61 -4.98 116.55 119.40 3cf5 n ASP 151 Ca 0.00 0.30 -0.58 0.00 2.57 0.00 0.00 54.79 57.07 3cf5 n ASP 151 Cb 0.25 0.04 -0.08 0.00 1.84 0.00 0.00 41.12 43.17 3cf5 n ASP 151 CO 0.00 0.00 0.00 -0.38 -1.07 0.00 0.00 177.20 175.75 3cf5 n ILE 152 N -3.44 0.10 -1.04 0.53 5.41 -1.16 -4.88 119.36 114.89 3cf5 n ILE 152 Ca 0.00 -0.02 -0.34 0.00 1.00 0.00 0.00 62.75 63.39 3cf5 n ILE 152 Cb 0.02 -0.73 0.10 0.00 -0.71 0.00 0.00 39.64 38.32 3cf5 n ILE 152 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 176.55 176.84 3cf5 n LYS 153 N 3.55 0.04 -4.77 0.38 4.76 -1.26 -5.00 118.16 115.86 3cf5 n LYS 153 Ca 0.24 0.07 -0.31 0.00 -2.87 0.00 0.00 58.31 55.44 3cf5 n LYS 153 Cb 0.10 -1.99 -0.13 0.00 -1.84 0.00 0.00 35.03 31.16 3cf5 n LYS 153 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 3cf5 s LEU 154 N -1.92 2.48 -0.85 -0.35 1.43 -1.26 -5.06 118.68 113.15 3cf5 s LEU 154 Ca 0.64 -0.45 -0.23 0.00 -1.03 0.00 0.00 54.13 53.06 3cf5 s LEU 154 Cb -0.28 -1.45 -0.15 0.00 0.03 0.00 0.00 46.19 44.33 3cf5 s LEU 154 CO 0.60 0.27 1.91 -0.81 0.23 0.00 0.00 176.35 178.55 3cf5 n PRO 155 N 1.71 1.45 -1.29 1.29 -0.04 -1.26 -4.73 135.00 132.13 3cf5 n PRO 155 Ca -0.16 -1.98 0.00 0.00 -0.04 0.00 0.00 63.50 61.31 3cf5 n PRO 155 Cb 0.52 -3.14 0.00 0.00 -0.04 0.00 0.00 33.50 30.84 3cf5 n PRO 155 CO 0.00 0.00 0.00 -1.91 -0.04 0.00 0.00 175.50 173.55 3cf5 n GLU 156 N 7.43 -0.18 0.00 0.54 2.13 -1.26 -3.75 120.64 125.55 3cf5 n GLU 156 Ca 0.48 0.30 0.00 0.00 0.66 0.00 0.00 57.16 58.60 3cf5 n GLU 156 Cb 0.42 -0.31 0.00 0.00 0.27 0.00 0.00 31.44 31.82 3cf5 n GLU 156 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 3cf5 n GLY 157 N 0.97 2.89 3.48 8.31 0.00 -1.26 -5.08 105.19 114.50 3cf5 n GLY 157 Ca 0.00 -0.81 -0.43 0.00 0.00 0.00 0.00 46.02 44.78 3cf5 n GLY 157 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3cf5 s THR 159 N -1.29 2.61 -0.20 0.00 -4.23 -1.05 -4.79 115.64 106.70 3cf5 s THR 159 Ca 0.62 -0.95 -0.29 0.00 -1.18 0.00 0.00 61.69 59.89 3cf5 s THR 159 Cb -0.67 -1.99 -0.02 0.00 1.34 0.00 0.00 72.50 71.16 3cf5 s THR 159 CO 0.58 0.55 1.36 -0.76 -0.54 0.00 0.00 174.62 175.81 3cf5 s LEU 160 N -0.79 4.08 0.13 4.79 1.43 -1.26 -0.48 118.68 126.59 3cf5 s LEU 160 Ca 0.11 1.61 0.08 0.00 -1.03 0.00 0.00 54.13 54.90 3cf5 s LEU 160 Cb -0.10 -3.54 -0.18 0.00 0.03 0.00 0.00 46.19 42.40 3cf5 s LEU 160 CO 0.01 -0.93 1.29 0.00 0.23 0.00 0.00 176.35 176.95 3cf5 h ALA 161 N 8.95 0.39 -2.61 4.21 0.00 -1.80 -3.40 119.26 125.00 3cf5 h ALA 161 Ca -0.29 -0.87 -0.49 0.00 0.00 0.00 0.00 54.91 53.27 3cf5 h ALA 161 Cb 1.12 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.77 3cf5 h ALA 161 CO 0.99 1.19 0.40 0.00 0.00 0.00 0.00 179.25 181.83 3cf5 s ALA 162 N -2.74 3.24 0.24 0.00 0.00 -1.09 -4.78 121.76 116.63 3cf5 s ALA 162 Ca 0.01 0.70 -0.31 0.00 0.00 0.00 0.00 51.96 52.36 3cf5 s ALA 162 Cb 0.10 -3.26 -0.13 0.00 0.00 0.00 0.00 23.12 19.83 3cf5 s ALA 162 CO 0.81 -0.05 1.42 -3.47 0.00 0.00 0.00 175.76 174.48 3cf5 n ASP 163 N 0.65 2.83 0.17 0.00 -0.08 -1.26 -4.90 116.55 113.96 3cf5 n ASP 163 Ca 0.02 1.14 -0.07 0.00 -1.51 0.00 0.00 54.79 54.36 3cf5 n ASP 163 Cb 0.48 -1.44 -0.04 0.00 2.34 0.00 0.00 41.12 42.46 3cf5 n ASP 163 CO 0.00 0.00 0.00 -0.65 0.12 0.00 0.00 177.20 176.67 3cf5 h PRO 164 N 4.29 -0.45 0.00 -0.67 0.11 -1.92 -2.94 132.00 130.42 3cf5 h PRO 164 Ca -0.45 0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.69 3cf5 h PRO 164 Cb 1.27 0.10 0.00 0.00 0.11 0.00 0.00 31.00 32.48 3cf5 h PRO 164 CO 0.76 -0.30 0.23 0.39 -0.21 0.00 0.00 178.00 178.88 3cf5 n GLU 165 N -3.40 0.00 -2.06 1.05 1.02 -1.26 -0.52 120.64 115.47 3cf5 n GLU 165 Ca -0.06 0.19 -0.42 0.00 -0.02 0.00 0.00 57.16 56.85 3cf5 n GLU 165 Cb 0.19 -1.73 -0.03 0.00 -0.02 0.00 0.00 31.44 29.85 3cf5 n GLU 165 CO 0.00 0.00 0.00 -1.17 1.18 0.00 0.00 177.13 177.14 3cf5 s LEU 166 N -2.29 4.34 -0.45 -4.62 2.96 -1.11 -4.76 118.68 112.76 3cf5 s LEU 166 Ca 0.00 2.32 -0.27 0.00 -0.22 0.00 0.00 54.13 55.97 3cf5 s LEU 166 Cb 0.00 -3.56 -0.05 0.00 0.50 0.00 0.00 46.19 43.07 3cf5 s LEU 166 CO 0.00 -0.80 2.22 -0.89 -1.32 0.00 0.00 176.35 175.55 3cf5 s THR 167 N 2.43 3.12 0.09 3.68 2.01 -1.26 -2.44 115.64 123.26 3cf5 s THR 167 Ca 0.69 0.09 0.07 0.00 0.31 0.00 0.00 61.69 62.84 3cf5 s THR 167 Cb -0.36 -3.25 -0.22 0.00 0.01 0.00 0.00 72.50 68.68 3cf5 s THR 167 CO 0.30 -0.22 1.18 0.58 -0.69 0.00 0.00 174.62 175.76 3cf5 h VAL 168 N 7.36 1.58 -3.20 3.82 2.07 0.51 -3.34 116.25 125.05 3cf5 h VAL 168 Ca -0.28 -3.29 -0.00 0.00 0.82 0.00 0.00 66.70 63.94 3cf5 h VAL 168 Cb 1.23 2.80 -0.05 0.00 -1.52 0.00 0.00 31.29 33.75 3cf5 h VAL 168 CO 1.12 0.90 0.15 0.68 0.02 0.00 0.00 177.57 180.45 3cf5 s VAL 169 N -2.69 0.00 -0.29 2.57 -7.23 -0.94 -1.63 120.40 110.19 3cf5 s VAL 169 Ca -0.00 -1.12 -0.20 0.00 -1.81 0.00 0.00 61.98 58.85 3cf5 s VAL 169 Cb 0.09 -2.31 0.17 0.00 0.56 0.00 0.00 36.38 34.90 3cf5 s VAL 169 CO 0.83 0.00 1.18 -0.55 -0.31 0.00 0.00 175.10 176.24 3cf5 s SER 170 N -3.00 -0.26 -0.03 4.85 0.15 0.24 -1.08 113.70 114.58 3cf5 s SER 170 Ca 0.16 0.45 -0.30 0.00 0.70 0.00 0.00 55.95 56.95 3cf5 s SER 170 Cb -0.04 0.84 -0.05 0.00 -1.71 0.00 0.00 66.02 65.06 3cf5 s SER 170 CO 0.09 -0.07 1.43 -0.69 1.20 0.00 0.00 173.24 175.20 3cf5 s VAL 171 N 0.76 3.74 0.22 4.45 1.01 -0.47 0.38 120.40 130.49 3cf5 s VAL 171 Ca -0.03 1.07 -0.14 0.00 0.00 0.00 0.00 61.98 62.88 3cf5 s VAL 171 Cb -0.04 -3.69 -0.08 0.00 0.00 0.00 0.00 36.38 32.58 3cf5 s VAL 171 CO -0.12 -0.03 0.62 -0.76 0.00 0.00 0.00 175.10 174.81 3cf5 s LEU 172 N 2.81 4.23 1.05 3.92 1.43 0.54 -3.31 118.68 129.35 3cf5 s LEU 172 Ca 0.65 1.13 -0.17 0.00 -1.03 0.00 0.00 54.13 54.70 3cf5 s LEU 172 Cb -0.31 -3.62 0.24 0.00 0.03 0.00 0.00 46.19 42.53 3cf5 s LEU 172 CO 0.26 -0.03 1.27 -2.16 0.23 0.00 0.00 176.35 175.92 3cf5 s PRO 173 N -2.43 -0.04 0.00 1.29 0.04 -1.26 0.89 135.00 133.49 3cf5 s PRO 173 Ca 0.45 -0.37 0.00 0.00 0.04 0.00 0.00 61.00 61.12 3cf5 s PRO 173 Cb -0.13 -1.76 0.00 0.00 0.04 0.00 0.00 34.50 32.65 3cf5 s PRO 173 CO 0.20 -2.87 0.00 -0.35 0.04 0.00 0.00 177.00 174.01 3cf5 n PRO 174 N -4.10 0.23 0.00 0.56 -0.04 -1.25 -4.27 135.00 126.13 3cf5 n PRO 174 Ca 0.15 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.61 3cf5 n PRO 174 Cb 0.59 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 34.05 3cf5 n PRO 174 CO 0.00 0.00 0.00 -2.13 -0.04 0.00 0.00 175.50 173.33