#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3e1c h LYS 2 N 0.00 -0.96 0.00 0.00 3.64 -1.98 -3.41 116.57 113.85 3e1c h LYS 2 Ca 0.00 0.07 -0.20 0.00 -1.27 0.00 0.00 60.65 59.24 3e1c h LYS 2 Cb 0.00 0.22 -0.03 0.00 -0.41 0.00 0.00 32.23 32.01 3e1c h LYS 2 CO 0.00 -0.63 -1.73 0.94 -2.27 0.00 0.00 179.45 175.76 3e1c n GLN 3 N -5.45 0.31 0.00 1.90 -0.06 -1.26 -4.11 117.38 108.70 3e1c n GLN 3 Ca -0.13 0.09 0.00 0.00 -2.00 0.00 0.00 57.00 54.96 3e1c n GLN 3 Cb 0.40 -1.17 0.00 0.00 -4.06 0.00 0.00 30.24 25.42 3e1c n GLN 3 CO 0.00 0.00 0.00 -1.13 -0.20 0.00 0.00 177.06 175.73 3e1c n SER 4 N -3.10 0.00 -0.00 1.69 3.41 -1.26 -2.89 113.62 111.47 3e1c n SER 4 Ca -0.24 0.00 0.09 0.00 -0.26 0.00 0.00 58.87 58.46 3e1c n SER 4 Cb 0.72 0.00 -0.11 0.00 -0.26 0.00 0.00 64.21 64.56 3e1c n SER 4 CO 0.00 0.00 0.00 0.80 -0.16 0.00 0.00 175.04 175.68 3e1c n MET 5 N 0.00 0.79 -0.26 4.33 0.00 -1.26 -4.71 117.12 116.00 3e1c n MET 5 Ca 0.00 -0.02 0.03 0.00 -0.00 0.00 0.00 57.70 57.71 3e1c n MET 5 Cb 0.00 -1.39 0.12 0.00 0.00 0.00 0.00 33.22 31.95 3e1c n MET 5 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 175.97 175.75 3e1c h LYS 6 N 0.00 0.03 -1.00 2.12 3.64 -1.91 0.03 116.57 119.49 3e1c h LYS 6 Ca 0.00 -0.00 0.22 0.00 -1.27 0.00 0.00 60.65 59.60 3e1c h LYS 6 Cb 0.50 -0.01 -0.10 0.00 -0.41 0.00 0.00 32.23 32.22 3e1c h LYS 6 CO 0.00 0.02 0.62 0.00 -2.27 0.00 0.00 179.45 177.82 3e1c h ALA 7 N 1.75 1.93 0.00 5.00 0.00 -1.88 -2.01 119.26 124.06 3e1c h ALA 7 Ca 0.39 0.07 0.00 0.00 0.00 0.00 0.00 54.91 55.37 3e1c h ALA 7 Cb 0.64 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.40 3e1c h ALA 7 CO -0.75 -0.31 -0.55 0.00 0.00 0.00 0.00 179.25 177.64 3e1c h ARG 8 N 0.58 0.00 0.25 0.00 3.08 -1.35 -1.58 114.38 115.36 3e1c h ARG 8 Ca 0.57 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 60.61 3e1c h ARG 8 Cb 1.15 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.20 3e1c h ARG 8 CO -0.33 0.00 -0.12 0.93 -1.07 0.00 0.00 179.97 179.37 3e1c h GLU 9 N 0.00 -0.33 -0.73 0.04 4.39 -1.38 -3.37 114.58 113.19 3e1c h GLU 9 Ca 0.00 0.02 0.12 0.00 0.34 0.00 0.00 59.36 59.84 3e1c h GLU 9 Cb 0.84 0.07 -0.12 0.00 -0.10 0.00 0.00 28.75 29.45 3e1c h GLU 9 CO 0.00 -0.18 -0.28 0.28 -1.16 0.00 0.00 179.01 177.68 3e1c n VAL 10 N -5.00 -0.38 0.31 3.13 0.31 -0.79 -0.08 118.33 115.82 3e1c n VAL 10 Ca -0.05 1.72 0.19 0.00 -0.01 0.00 0.00 64.34 66.19 3e1c n VAL 10 Cb 0.16 -2.28 1.03 0.00 -0.91 0.00 0.00 33.84 31.84 3e1c n VAL 10 CO 0.00 0.00 0.00 0.11 -1.32 0.00 0.00 176.83 175.62 3e1c h LYS 11 N 0.00 0.00 0.00 5.55 1.57 -1.44 -3.15 116.57 119.10 3e1c h LYS 11 Ca 0.26 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.04 3e1c h LYS 11 Cb 0.45 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.76 3e1c h LYS 11 CO -0.73 0.00 0.00 2.89 -0.57 0.00 0.00 179.45 181.04 3e1c n ARG 12 N -3.23 -0.14 -0.16 3.15 -4.01 -0.37 -4.93 116.66 106.96 3e1c n ARG 12 Ca -0.02 -0.08 0.06 0.00 -1.04 0.00 0.00 57.85 56.77 3e1c n ARG 12 Cb 0.19 -0.57 0.36 0.00 -3.04 0.00 0.00 32.46 29.40 3e1c n ARG 12 CO 0.00 0.00 0.00 -0.24 -3.04 0.00 0.00 177.63 174.35 3e1c h VAL 13 N 0.83 1.04 0.00 8.89 3.04 -0.45 -2.91 116.25 126.68 3e1c h VAL 13 Ca 0.00 -0.25 0.00 0.00 -1.01 0.00 0.00 66.70 65.44 3e1c h VAL 13 Cb 0.41 0.23 0.00 0.00 -2.01 0.00 0.00 31.29 29.93 3e1c h VAL 13 CO 0.00 0.13 -0.39 0.00 -1.01 0.00 0.00 177.57 176.31 3e1c n ALA 14 N -2.45 3.26 -0.23 3.17 0.00 -1.26 -4.45 120.51 118.54 3e1c n ALA 14 Ca 0.10 -0.29 0.03 0.00 0.00 0.00 0.00 53.44 53.27 3e1c n ALA 14 Cb 0.20 -1.20 0.06 0.00 0.00 0.00 0.00 19.45 18.51 3e1c n ALA 14 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 3e1c n LEU 15 N -1.51 2.30 -0.40 0.00 4.77 -1.10 -4.74 117.00 116.32 3e1c n LEU 15 Ca 0.06 -2.21 0.32 0.00 -0.03 0.00 0.00 56.01 54.15 3e1c n LEU 15 Cb 0.34 -0.13 0.62 0.00 -2.33 0.00 0.00 43.42 41.92 3e1c n LEU 15 CO 0.33 0.58 1.25 0.00 -1.33 0.00 0.00 177.39 178.22 3e1c h ALA 16 N 0.43 2.65 -0.05 -1.18 0.00 -1.78 0.34 119.26 119.66 3e1c h ALA 16 Ca 0.00 0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.99 3e1c h ALA 16 Cb 0.66 0.13 -0.00 0.00 0.00 0.00 0.00 17.79 18.57 3e1c h ALA 16 CO 0.01 -1.17 0.04 0.38 0.00 0.00 0.00 179.25 178.51 3e1c h ASP 17 N 0.18 0.05 0.85 0.00 -0.00 -1.90 0.13 116.42 115.73 3e1c h ASP 17 Ca 0.72 -0.00 -0.17 0.00 -0.00 0.00 0.00 57.03 57.58 3e1c h ASP 17 Cb 2.22 -0.01 -0.03 0.00 -0.00 0.00 0.00 39.33 41.51 3e1c h ASP 17 CO -0.32 0.04 -1.24 0.11 -0.00 0.00 0.00 179.24 177.83 3e1c h LYS 18 N 0.06 0.00 0.00 4.15 1.57 -0.82 0.46 116.57 121.99 3e1c h LYS 18 Ca 0.02 0.00 -0.10 0.00 -1.87 0.00 0.00 60.65 58.70 3e1c h LYS 18 Cb 0.02 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.31 3e1c h LYS 18 CO -0.00 0.37 -0.46 1.88 -0.57 0.00 0.00 179.45 180.67 3e1c h TYR 19 N 0.00 0.00 0.00 -1.35 -1.99 -0.81 -3.44 116.97 109.38 3e1c h TYR 19 Ca -0.13 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.60 3e1c h TYR 19 Cb 1.58 0.00 0.00 0.00 2.00 0.00 0.00 36.73 40.31 3e1c h TYR 19 CO 0.00 0.46 0.00 0.34 -0.00 0.00 0.00 178.16 178.96 3e1c n PHE 20 N -3.37 -3.14 1.14 4.88 7.35 0.31 -4.96 117.46 119.67 3e1c n PHE 20 Ca 0.01 0.74 0.09 0.00 -0.76 0.00 0.00 57.45 57.53 3e1c n PHE 20 Cb 0.64 1.97 0.55 0.00 0.35 0.00 0.00 39.48 42.99 3e1c n PHE 20 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 3e1c n ALA 21 N -3.03 2.18 0.00 3.13 0.00 -0.44 -1.39 120.51 120.96 3e1c n ALA 21 Ca 0.00 -0.11 0.00 0.00 0.00 0.00 0.00 53.44 53.33 3e1c n ALA 21 Cb 0.00 -1.30 0.00 0.00 0.00 0.00 0.00 19.45 18.15 3e1c n ALA 21 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 3e1c n LYS 22 N -1.01 1.93 -0.33 0.00 5.02 0.13 -4.82 118.16 119.08 3e1c n LYS 22 Ca 0.14 0.00 0.19 0.00 -2.02 0.00 0.00 58.31 56.62 3e1c n LYS 22 Cb 0.07 -0.89 0.40 0.00 -0.02 0.00 0.00 35.03 34.58 3e1c n LYS 22 CO 0.00 0.00 0.00 -0.09 -0.52 0.00 0.00 177.40 176.79 3e1c h ARG 23 N 0.00 0.43 -0.02 1.97 2.43 -0.97 -1.83 114.38 116.39 3e1c h ARG 23 Ca 0.00 -0.03 0.01 0.00 -0.81 0.00 0.00 59.98 59.15 3e1c h ARG 23 Cb 0.79 -0.10 -0.00 0.00 -0.42 0.00 0.00 29.97 30.24 3e1c h ARG 23 CO 0.00 0.28 0.02 0.00 -1.51 0.00 0.00 179.97 178.76 3e1c h ALA 24 N 1.77 1.76 0.00 2.80 0.00 -1.61 -3.42 119.26 120.56 3e1c h ALA 24 Ca 0.66 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.57 3e1c h ALA 24 Cb 1.36 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.15 3e1c h ALA 24 CO -0.54 -0.03 0.00 0.39 0.00 0.00 0.00 179.25 179.07 3e1c n GLU 25 N -4.14 0.00 0.13 0.00 -0.58 -0.69 -2.41 120.64 112.94 3e1c n GLU 25 Ca -0.02 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.72 3e1c n GLU 25 Cb 0.11 -1.22 0.00 0.00 -0.57 0.00 0.00 31.44 29.76 3e1c n GLU 25 CO 0.00 0.00 0.00 -0.11 -0.48 0.00 0.00 177.13 176.54 3e1c n LEU 26 N -0.66 -0.49 0.12 -4.62 7.94 -1.26 -4.97 117.00 113.05 3e1c n LEU 26 Ca 0.00 0.44 0.00 0.00 -1.11 0.00 0.00 56.01 55.34 3e1c n LEU 26 Cb 0.00 0.65 0.31 0.00 0.53 0.00 0.00 43.42 44.91 3e1c n LEU 26 CO 0.00 -0.64 0.76 0.07 -1.11 0.00 0.00 177.39 176.47 3e1c h LYS 27 N 0.00 0.21 0.00 1.96 2.10 -1.84 -3.15 116.57 115.85 3e1c h LYS 27 Ca 0.00 -0.07 0.00 0.00 -2.00 0.00 0.00 60.65 58.58 3e1c h LYS 27 Cb 0.00 -0.02 0.00 0.00 -0.90 0.00 0.00 32.23 31.31 3e1c h LYS 27 CO 0.00 0.48 -0.61 0.00 -2.00 0.00 0.00 179.45 177.32 3e1c n ALA 28 N -2.48 3.69 0.06 0.07 0.00 -1.01 -3.71 120.51 117.13 3e1c n ALA 28 Ca -0.01 -0.38 -0.15 0.00 0.00 0.00 0.00 53.44 52.89 3e1c n ALA 28 Cb 0.38 -1.06 -0.14 0.00 0.00 0.00 0.00 19.45 18.62 3e1c n ALA 28 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.50 178.32 3e1c h ILE 29 N 0.00 1.23 -0.08 0.00 2.04 -1.69 -2.85 117.51 116.16 3e1c h ILE 29 Ca 0.00 -2.89 -0.12 0.00 1.00 0.00 0.00 64.86 62.85 3e1c h ILE 29 Cb 0.52 2.77 -0.01 0.00 -0.74 0.00 0.00 36.82 39.36 3e1c h ILE 29 CO 0.00 0.82 -0.51 0.16 0.00 0.00 0.00 178.15 178.62 3e1c h ILE 30 N 0.06 1.35 0.00 -0.67 3.07 -1.71 -3.20 117.51 116.41 3e1c h ILE 30 Ca -0.21 -1.77 0.00 0.00 1.55 0.00 0.00 64.86 64.44 3e1c h ILE 30 Cb 1.98 1.87 0.00 0.00 -0.27 0.00 0.00 36.82 40.40 3e1c h ILE 30 CO 0.16 0.52 0.00 -0.24 -1.05 0.00 0.00 178.15 177.54 3e1c n SER 31 N -3.94 0.00 -4.82 2.16 2.88 -1.09 -2.10 113.62 106.71 3e1c n SER 31 Ca -0.02 -0.54 -0.31 0.00 -1.33 0.00 0.00 58.87 56.67 3e1c n SER 31 Cb 0.55 0.00 0.05 0.00 -0.75 0.00 0.00 64.21 64.06 3e1c n SER 31 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 3e1c s ASP 32 N -1.93 5.27 0.52 -3.46 -1.08 -1.16 -4.78 116.67 110.05 3e1c s ASP 32 Ca 0.19 1.53 0.31 0.00 -0.52 0.00 0.00 52.55 54.05 3e1c s ASP 32 Cb 0.09 -2.39 1.28 0.00 -1.46 0.00 0.00 42.92 40.44 3e1c s ASP 32 CO 0.15 -1.50 1.96 -0.37 0.52 0.00 0.00 175.17 175.92 3e1c h VAL 33 N -0.76 0.21 0.00 1.11 -1.51 -1.92 -0.06 116.25 113.31 3e1c h VAL 33 Ca -0.44 -0.67 0.00 0.00 -1.23 0.00 0.00 66.70 64.35 3e1c h VAL 33 Cb 1.22 1.55 0.00 0.00 -2.13 0.00 0.00 31.29 31.93 3e1c h VAL 33 CO 0.58 0.07 0.00 0.78 -1.23 0.00 0.00 177.57 177.77 3e1c h ASN 34 N 0.00 0.00 0.00 4.19 4.21 -1.92 -3.37 115.58 118.69 3e1c h ASN 34 Ca -0.00 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.51 3e1c h ASN 34 Cb 0.55 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.75 3e1c h ASN 34 CO 0.01 0.00 0.00 0.47 -1.29 0.00 0.00 177.43 176.62 3e1c n ASP 39 N -2.87 0.07 0.00 5.81 9.92 -0.93 -5.10 116.55 123.45 3e1c n ASP 39 Ca -0.01 -0.35 0.00 0.00 -0.53 0.00 0.00 54.79 53.91 3e1c n ASP 39 Cb 0.18 0.36 0.00 0.00 -0.64 0.00 0.00 41.12 41.02 3e1c n ASP 39 CO 0.00 0.00 0.00 0.54 0.13 0.00 0.00 177.20 177.87 3e1c n ARG 40 N -0.36 0.00 -2.10 -1.24 5.12 -0.08 -4.90 116.66 113.10 3e1c n ARG 40 Ca 0.00 0.00 -0.31 0.00 -1.93 0.00 0.00 57.85 55.61 3e1c n ARG 40 Cb 0.02 -1.01 -0.04 0.00 -1.16 0.00 0.00 32.46 30.27 3e1c n ARG 40 CO 0.00 0.00 0.00 -1.58 -1.93 0.00 0.00 177.63 174.12 3e1c s TRP 41 N -2.29 1.84 -0.22 -1.55 0.52 -0.89 -4.87 118.94 111.48 3e1c s TRP 41 Ca 0.00 0.54 0.29 0.00 0.02 0.00 0.00 56.10 56.95 3e1c s TRP 41 Cb 0.00 -4.12 1.00 0.00 -1.15 0.00 0.00 33.47 29.20 3e1c s TRP 41 CO 0.00 -1.90 1.82 -0.97 0.02 0.00 0.00 176.95 175.93 3e1c h ASN 42 N 12.00 0.00 1.00 2.95 -1.24 -1.93 -3.29 115.58 125.08 3e1c h ASN 42 Ca 0.01 0.00 0.00 0.00 0.71 0.00 0.00 56.30 57.02 3e1c h ASN 42 Cb 1.04 0.00 0.00 0.00 0.73 0.00 0.00 38.32 40.09 3e1c h ASN 42 CO 1.23 0.00 -0.19 0.00 -1.29 0.00 0.00 177.43 177.18 3e1c n ALA 43 N -2.00 2.65 0.08 1.57 0.00 -1.26 -4.45 120.51 117.10 3e1c n ALA 43 Ca 0.02 -0.15 -0.21 0.00 0.00 0.00 0.00 53.44 53.10 3e1c n ALA 43 Cb 0.36 -1.36 -0.15 0.00 0.00 0.00 0.00 19.45 18.30 3e1c n ALA 43 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 3e1c h VAL 44 N 0.00 1.08 -0.36 0.00 2.07 -1.97 -3.40 116.25 113.68 3e1c h VAL 44 Ca 0.00 -2.66 -0.04 0.00 0.82 0.00 0.00 66.70 64.83 3e1c h VAL 44 Cb 0.60 2.81 -0.01 0.00 -1.52 0.00 0.00 31.29 33.17 3e1c h VAL 44 CO 0.00 0.84 0.08 0.25 0.02 0.00 0.00 177.57 178.76 3e1c h LEU 45 N 0.10 0.55 0.00 2.57 6.46 -1.79 -3.27 115.31 119.92 3e1c h LEU 45 Ca -0.29 -0.24 0.00 0.00 -0.12 0.00 0.00 57.88 57.23 3e1c h LEU 45 Cb 2.08 -0.14 0.00 0.00 -0.73 0.00 0.00 40.66 41.87 3e1c h LEU 45 CO 0.19 0.64 0.00 2.29 -0.62 0.00 0.00 178.44 180.94 3e1c n LYS 46 N -4.60 0.00 0.00 1.25 2.85 -1.26 -0.96 118.16 115.44 3e1c n LYS 46 Ca -0.01 0.00 0.01 0.00 -1.05 0.00 0.00 58.31 57.26 3e1c n LYS 46 Cb 0.20 -1.44 0.00 0.00 -0.65 0.00 0.00 35.03 33.14 3e1c n LYS 46 CO 0.00 0.00 0.00 1.28 -0.05 0.00 0.00 177.40 178.63 3e1c n LEU 47 N -0.75 0.83 -0.01 -5.58 4.77 -1.23 -4.79 117.00 110.24 3e1c n LEU 47 Ca 0.00 -0.81 0.07 0.00 -0.03 0.00 0.00 56.01 55.24 3e1c n LEU 47 Cb 0.00 0.00 -0.10 0.00 -2.33 0.00 0.00 43.42 40.99 3e1c n LEU 47 CO 0.00 0.19 -0.59 0.00 -1.33 0.00 0.00 177.39 175.66 3e1c n GLN 48 N -0.29 0.66 0.03 3.23 6.02 -0.13 -4.41 117.38 122.49 3e1c n GLN 48 Ca 0.01 -0.11 0.07 0.00 -0.01 0.00 0.00 57.00 56.96 3e1c n GLN 48 Cb 0.06 -1.30 0.30 0.00 1.02 0.00 0.00 30.24 30.32 3e1c n GLN 48 CO 0.00 0.00 0.00 0.25 -1.01 0.00 0.00 177.06 176.30 3e1c n THR 49 N -1.90 1.16 -0.30 5.09 -2.24 -1.24 -4.23 114.28 110.62 3e1c n THR 49 Ca -0.02 0.32 0.11 0.00 -2.27 0.00 0.00 64.05 62.19 3e1c n THR 49 Cb 0.34 -1.17 0.34 0.00 -2.10 0.00 0.00 70.33 67.74 3e1c n THR 49 CO 0.00 0.00 0.00 -0.07 -0.57 0.00 0.00 175.07 174.43 3e1c h LEU 50 N 0.00 0.73 -0.30 3.22 4.07 -1.89 -3.22 115.31 117.92 3e1c h LEU 50 Ca 0.00 0.05 0.00 0.00 0.08 0.00 0.00 57.88 58.01 3e1c h LEU 50 Cb 0.21 -0.10 0.00 0.00 1.08 0.00 0.00 40.66 41.85 3e1c h LEU 50 CO 0.00 0.37 0.27 -2.65 -1.08 0.00 0.00 178.44 175.35 3e1c n PRO 51 N -4.59 0.03 0.00 1.13 -0.02 -1.26 -4.84 135.00 125.45 3e1c n PRO 51 Ca 0.18 0.38 0.00 0.00 -2.02 0.00 0.00 63.50 62.04 3e1c n PRO 51 Cb 0.45 -1.88 0.00 0.00 -0.02 0.00 0.00 33.50 32.06 3e1c n PRO 51 CO 0.00 0.00 0.00 -2.13 1.98 0.00 0.00 175.50 175.35 3e1c n ARG 52 N -1.55 0.00 0.33 -0.52 0.00 -1.22 -1.33 116.66 112.36 3e1c n ARG 52 Ca -0.00 0.00 0.17 0.00 -0.00 0.00 0.00 57.85 58.02 3e1c n ARG 52 Cb 0.28 0.00 0.90 0.00 0.00 0.00 0.00 32.46 33.64 3e1c n ARG 52 CO 0.00 0.00 0.00 0.22 0.00 0.00 0.00 177.63 177.85 3e1c h ASP 53 N 0.00 0.00 0.00 6.15 3.58 -1.96 -2.92 116.42 121.28 3e1c h ASP 53 Ca 0.00 0.00 -0.00 0.00 0.42 0.00 0.00 57.03 57.45 3e1c h ASP 53 Cb 0.00 0.00 -0.00 0.00 1.72 0.00 0.00 39.33 41.05 3e1c h ASP 53 CO 0.00 0.00 -0.46 -1.54 -2.88 0.00 0.00 179.24 174.36 3e1c n SER 54 N -2.97 1.76 -4.58 2.28 3.41 -0.44 -4.99 113.62 108.07 3e1c n SER 54 Ca -0.02 -3.82 -0.42 0.00 -0.26 0.00 0.00 58.87 54.35 3e1c n SER 54 Cb 0.32 -0.52 -0.03 0.00 -0.26 0.00 0.00 64.21 63.73 3e1c n SER 54 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 3e1c s SER 55 N -3.20 5.97 0.47 4.04 0.15 -1.10 -4.82 113.70 115.21 3e1c s SER 55 Ca 0.37 0.68 -0.24 0.00 0.70 0.00 0.00 55.95 57.47 3e1c s SER 55 Cb 0.36 -2.54 -0.07 0.00 -1.71 0.00 0.00 66.02 62.07 3e1c s SER 55 CO -0.06 -1.76 1.27 -2.16 1.20 0.00 0.00 173.24 171.73 3e1c s PRO 56 N 5.68 3.63 -0.08 5.44 0.04 -1.26 -4.12 135.00 144.33 3e1c s PRO 56 Ca 0.64 2.04 -0.10 0.00 0.04 0.00 0.00 61.00 63.63 3e1c s PRO 56 Cb -0.15 -2.47 -0.05 0.00 0.04 0.00 0.00 34.50 31.87 3e1c s PRO 56 CO 0.28 -0.73 0.23 -1.12 0.04 0.00 0.00 177.00 175.70 3e1c s SER 57 N -1.03 6.53 -0.30 6.66 0.01 -1.26 -5.09 113.70 119.22 3e1c s SER 57 Ca 0.64 0.64 -0.10 0.00 1.31 0.00 0.00 55.95 58.43 3e1c s SER 57 Cb -0.35 -2.13 0.16 0.00 0.21 0.00 0.00 66.02 63.91 3e1c s SER 57 CO 0.43 0.38 0.81 0.00 0.41 0.00 0.00 173.24 175.28 3e1c s ARG 58 N -1.03 0.42 -0.24 12.44 1.70 -1.26 -5.18 118.95 125.80 3e1c s ARG 58 Ca 0.18 0.93 -0.03 0.00 -0.47 0.00 0.00 55.73 56.34 3e1c s ARG 58 Cb -0.14 0.55 0.11 0.00 -0.57 0.00 0.00 34.95 34.90 3e1c s ARG 58 CO 0.07 -0.27 0.23 -1.14 -1.08 0.00 0.00 175.30 173.11 3e1c s GLN 59 N 2.75 0.23 0.59 3.89 2.00 -1.26 -5.02 119.66 122.84 3e1c s GLN 59 Ca 0.02 -0.01 0.30 0.00 -2.00 0.00 0.00 55.36 53.68 3e1c s GLN 59 Cb -0.10 -1.04 1.81 0.00 0.80 0.00 0.00 33.01 34.48 3e1c s GLN 59 CO -0.18 -0.82 2.23 -0.09 -0.50 0.00 0.00 175.29 175.93 3e1c h ARG 60 N 8.31 0.00 -2.54 1.67 9.65 -2.01 -3.48 114.38 125.99 3e1c h ARG 60 Ca -0.16 0.00 0.30 0.00 -1.10 0.00 0.00 59.98 59.02 3e1c h ARG 60 Cb 1.11 0.00 -0.09 0.00 -1.39 0.00 0.00 29.97 29.60 3e1c h ARG 60 CO 0.32 0.00 -0.50 0.09 2.80 0.00 0.00 179.97 182.68 3e1c n ASN 61 N -3.80 -6.70 -3.51 -3.80 3.02 -1.26 -5.02 115.26 94.19 3e1c n ASN 61 Ca -0.02 0.56 -0.21 0.00 -0.03 0.00 0.00 54.58 54.88 3e1c n ASN 61 Cb 0.13 -3.48 -0.13 0.00 -0.61 0.00 0.00 39.78 35.69 3e1c n ASN 61 CO 0.00 0.00 0.00 -0.60 -2.62 0.00 0.00 177.26 174.04 3e1c s ARG 62 N -2.28 0.18 0.15 3.52 3.52 -1.26 -4.98 118.95 117.81 3e1c s ARG 62 Ca 0.00 0.02 0.26 0.00 -0.13 0.00 0.00 55.73 55.88 3e1c s ARG 62 Cb 0.00 -1.25 0.93 0.00 -1.56 0.00 0.00 34.95 33.07 3e1c s ARG 62 CO 0.00 -0.75 1.80 0.00 -0.81 0.00 0.00 175.30 175.54 3e1c n ARG 64 N -2.04 0.00 0.27 0.00 0.63 -1.26 -3.08 116.66 111.18 3e1c n ARG 64 Ca 0.06 0.00 0.15 0.00 -0.92 0.00 0.00 57.85 57.13 3e1c n ARG 64 Cb 0.38 0.00 0.74 0.00 0.45 0.00 0.00 32.46 34.02 3e1c n ARG 64 CO 0.00 0.00 0.00 -0.56 -2.51 0.00 0.00 177.63 174.56 3e1c h GLN 65 N 0.00 0.00 -5.75 -0.14 3.07 -1.94 -3.37 115.11 106.99 3e1c h GLN 65 Ca 0.00 0.00 -0.63 0.00 0.09 0.00 0.00 58.65 58.11 3e1c h GLN 65 Cb 0.00 0.00 -0.07 0.00 0.08 0.00 0.00 27.48 27.49 3e1c h GLN 65 CO 0.00 0.09 -0.33 0.99 0.09 0.00 0.00 178.83 179.67 3e1c s THR 66 N -3.94 5.27 -0.87 1.86 2.01 -1.18 -5.06 115.64 113.73 3e1c s THR 66 Ca -0.01 0.54 0.26 0.00 0.31 0.00 0.00 61.69 62.79 3e1c s THR 66 Cb 0.11 -3.58 0.12 0.00 0.01 0.00 0.00 72.50 69.16 3e1c s THR 66 CO 0.56 0.55 1.57 0.61 -0.69 0.00 0.00 174.62 177.22 3e1c n GLY 67 N 2.27 -1.42 3.08 4.40 0.00 -1.26 -4.51 105.19 107.75 3e1c n GLY 67 Ca -0.16 -0.21 -0.12 0.00 0.00 0.00 0.00 46.02 45.53 3e1c n GLY 67 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 3e1c s ARG 68 N -3.06 0.37 -1.32 1.61 1.70 -1.26 -4.66 118.95 112.34 3e1c s ARG 68 Ca 0.10 -0.18 -0.17 0.00 -0.47 0.00 0.00 55.73 55.02 3e1c s ARG 68 Cb 0.16 0.16 0.04 0.00 -0.57 0.00 0.00 34.95 34.74 3e1c s ARG 68 CO 0.65 -0.08 1.91 -0.35 -1.08 0.00 0.00 175.30 176.35 3e1c n PRO 69 N 2.02 2.92 -1.33 3.89 -0.04 -1.26 -4.82 135.00 136.39 3e1c n PRO 69 Ca -0.19 -2.97 -0.23 0.00 -0.04 0.00 0.00 63.50 60.07 3e1c n PRO 69 Cb 0.57 -3.43 -0.10 0.00 -0.04 0.00 0.00 33.50 30.50 3e1c n PRO 69 CO 0.00 0.00 0.00 1.58 -0.04 0.00 0.00 175.50 177.04 3e1c n HIS 70 N 8.07 1.12 -0.86 0.54 -0.00 -1.26 -4.95 115.22 117.87 3e1c n HIS 70 Ca 0.50 -1.95 0.00 0.00 0.46 0.00 0.00 57.72 56.73 3e1c n HIS 70 Cb 0.44 -1.61 0.00 0.00 -0.12 0.00 0.00 29.99 28.70 3e1c n HIS 70 CO 0.00 0.00 0.00 0.41 0.46 0.00 0.00 176.34 177.21 3e1c n GLY 71 N 1.85 -2.29 2.93 1.57 0.00 -1.26 -2.20 105.19 105.79 3e1c n GLY 71 Ca 0.50 -1.54 -0.08 0.00 0.00 0.00 0.00 46.02 44.91 3e1c n GLY 71 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 3e1c s PHE 72 N -0.78 -0.91 -1.05 1.61 2.19 -1.26 -4.42 117.98 113.35 3e1c s PHE 72 Ca 0.00 0.82 -0.23 0.00 0.33 0.00 0.00 56.93 57.85 3e1c s PHE 72 Cb 0.00 0.03 -0.03 0.00 -1.31 0.00 0.00 43.02 41.71 3e1c s PHE 72 CO 0.00 -0.77 1.85 -0.51 1.83 0.00 0.00 175.22 177.61 3e1c s LEU 73 N 2.57 3.25 0.00 6.12 1.43 0.24 -4.84 118.68 127.45 3e1c s LEU 73 Ca 0.13 -1.30 0.00 0.00 -1.03 0.00 0.00 54.13 51.93 3e1c s LEU 73 Cb -0.15 -2.57 0.00 0.00 0.03 0.00 0.00 46.19 43.50 3e1c s LEU 73 CO -0.19 -2.50 0.62 0.54 0.23 0.00 0.00 176.35 175.06 3e1c n ARG 74 N 8.63 0.00 0.01 1.70 1.74 -1.26 -0.46 116.66 127.02 3e1c n ARG 74 Ca 0.42 0.15 -0.05 0.00 -0.77 0.00 0.00 57.85 57.60 3e1c n ARG 74 Cb 0.47 -1.51 -0.11 0.00 -1.02 0.00 0.00 32.46 30.29 3e1c n ARG 74 CO 0.00 0.00 0.00 -0.22 -1.52 0.00 0.00 177.63 175.89 3e1c h LYS 75 N 0.00 0.00 0.00 5.56 3.64 -1.97 -3.42 116.57 120.37 3e1c h LYS 75 Ca 0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 3e1c h LYS 75 Cb 0.03 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.85 3e1c h LYS 75 CO 0.00 0.43 -0.91 1.19 -2.27 0.00 0.00 179.45 177.89 3e1c n PHE 76 N -3.00 0.00 -0.96 1.91 3.01 0.25 -5.07 117.46 113.60 3e1c n PHE 76 Ca -0.13 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.33 3e1c n PHE 76 Cb 0.95 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 40.42 3e1c n PHE 76 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 3e1c n GLY 77 N 2.40 0.89 3.33 1.37 0.00 0.40 -5.05 105.19 108.52 3e1c n GLY 77 Ca 0.00 -0.57 -0.11 0.00 0.00 0.00 0.00 46.02 45.35 3e1c n GLY 77 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 3e1c s LEU 78 N 0.00 0.31 0.54 0.99 0.05 -1.26 -4.98 118.68 114.33 3e1c s LEU 78 Ca 0.00 -0.27 -0.20 0.00 0.05 0.00 0.00 54.13 53.71 3e1c s LEU 78 Cb 0.00 1.90 -0.05 0.00 -2.05 0.00 0.00 46.19 45.99 3e1c s LEU 78 CO 0.00 -0.85 1.20 -0.94 -0.55 0.00 0.00 176.35 175.21 3e1c s SER 79 N -2.75 5.57 0.00 1.48 1.04 -1.26 -0.59 113.70 117.18 3e1c s SER 79 Ca 0.02 2.38 0.05 0.00 0.48 0.00 0.00 55.95 58.88 3e1c s SER 79 Cb 0.01 -2.60 0.30 0.00 0.10 0.00 0.00 66.02 63.83 3e1c s SER 79 CO -0.12 -1.34 0.70 -1.14 0.98 0.00 0.00 173.24 172.32 3e1c n ARG 80 N -1.16 0.21 -0.00 4.02 0.63 -0.93 -1.34 116.66 118.09 3e1c n ARG 80 Ca 0.11 0.00 0.01 0.00 -0.92 0.00 0.00 57.85 57.05 3e1c n ARG 80 Cb 0.49 -1.37 -0.02 0.00 0.45 0.00 0.00 32.46 32.01 3e1c n ARG 80 CO 0.00 0.00 0.00 0.44 -2.51 0.00 0.00 177.63 175.56 3e1c n ILE 81 N -0.87 0.00 0.07 5.15 -5.35 -1.26 -4.79 119.36 112.31 3e1c n ILE 81 Ca 0.04 -0.26 -0.06 0.00 -0.27 0.00 0.00 62.75 62.21 3e1c n ILE 81 Cb 0.02 0.73 -0.09 0.00 -1.74 0.00 0.00 39.64 38.56 3e1c n ILE 81 CO 0.00 0.00 0.00 0.50 -1.76 0.00 0.00 176.55 175.29 3e1c h LYS 82 N 0.00 0.00 -1.00 6.28 1.63 -1.58 -3.42 116.57 118.48 3e1c h LYS 82 Ca 0.00 0.00 0.39 0.00 -0.85 0.00 0.00 60.65 60.19 3e1c h LYS 82 Cb 0.08 0.00 -0.18 0.00 -0.60 0.00 0.00 32.23 31.53 3e1c h LYS 82 CO 0.00 0.93 0.43 0.28 -3.45 0.00 0.00 179.45 177.63 3e1c h VAL 83 N 0.00 0.01 -0.78 2.00 2.07 -1.87 -3.14 116.25 114.54 3e1c h VAL 83 Ca -0.01 -0.00 0.15 0.00 0.82 0.00 0.00 66.70 67.66 3e1c h VAL 83 Cb 1.69 -0.00 -0.14 0.00 -1.52 0.00 0.00 31.29 31.32 3e1c h VAL 83 CO 0.12 0.00 -0.22 -1.14 0.02 0.00 0.00 177.57 176.35 3e1c n ARG 84 N -5.31 -0.09 0.28 1.57 3.00 -1.26 -1.08 116.66 113.77 3e1c n ARG 84 Ca 0.35 1.22 0.17 0.00 -0.00 0.00 0.00 57.85 59.59 3e1c n ARG 84 Cb 1.17 -1.81 0.77 0.00 0.00 0.00 0.00 32.46 32.59 3e1c n ARG 84 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 177.63 178.68 3e1c h GLU 85 N 0.00 0.00 -0.47 -0.14 4.11 -1.93 -3.33 114.58 112.82 3e1c h GLU 85 Ca 0.35 0.00 0.04 0.00 0.07 0.00 0.00 59.36 59.82 3e1c h GLU 85 Cb 0.55 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.76 3e1c h GLU 85 CO -0.80 0.03 0.23 0.00 0.07 0.00 0.00 179.01 178.54 3e1c h ALA 86 N 1.97 0.59 0.00 1.06 0.00 -1.37 -1.09 119.26 120.41 3e1c h ALA 86 Ca -0.00 0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.93 3e1c h ALA 86 Cb 0.42 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.15 3e1c h ALA 86 CO 0.00 -0.12 0.36 0.00 0.00 0.00 0.00 179.25 179.49 3e1c n ALA 87 N -2.32 0.49 -0.17 0.00 0.00 -1.25 -1.40 120.51 115.86 3e1c n ALA 87 Ca 0.03 0.07 0.00 0.00 0.00 0.00 0.00 53.44 53.55 3e1c n ALA 87 Cb 0.12 -0.59 0.00 0.00 0.00 0.00 0.00 19.45 18.98 3e1c n ALA 87 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.50 176.17 3e1c n MET 88 N -1.80 1.92 0.00 0.00 2.00 -0.42 -4.83 117.12 113.99 3e1c n MET 88 Ca -0.01 -1.17 0.00 0.00 0.00 0.00 0.00 57.70 56.52 3e1c n MET 88 Cb 0.37 -0.91 0.00 0.00 0.00 0.00 0.00 33.22 32.68 3e1c n MET 88 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 175.97 178.86 3e1c n ARG 89 N -0.34 0.23 0.00 0.03 1.85 -1.11 -5.09 116.66 112.23 3e1c n ARG 89 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 56.85 3e1c n ARG 89 Cb 0.25 -0.02 0.00 0.00 -1.05 0.00 0.00 32.46 31.64 3e1c n ARG 89 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 3e1c n GLY 90 N 0.00 -0.02 0.22 2.89 0.00 -0.49 -5.07 105.19 102.71 3e1c n GLY 90 Ca 0.00 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.12 3e1c n GLY 90 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 3e1c h GLU 91 N 0.00 0.00 -3.95 1.61 4.39 -1.84 -3.38 114.58 111.41 3e1c h GLU 91 Ca 0.00 0.00 -0.63 0.00 0.34 0.00 0.00 59.36 59.07 3e1c h GLU 91 Cb 0.00 0.00 -0.40 0.00 -0.10 0.00 0.00 28.75 28.25 3e1c h GLU 91 CO 0.00 0.23 -0.72 0.42 -1.16 0.00 0.00 179.01 177.77 3e1c s ILE 92 N -3.61 1.74 0.24 3.13 1.01 -1.26 -5.01 121.20 117.44 3e1c s ILE 92 Ca 0.01 -2.18 0.29 0.00 0.00 0.00 0.00 60.65 58.77 3e1c s ILE 92 Cb 0.10 -2.28 0.31 0.00 0.01 0.00 0.00 42.46 40.61 3e1c s ILE 92 CO 0.64 -0.69 1.98 1.55 0.00 0.00 0.00 174.94 178.42 3e1c h PRO 93 N 7.52 0.00 -0.04 2.79 0.13 -1.94 -2.89 132.00 137.57 3e1c h PRO 93 Ca -0.07 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.06 3e1c h PRO 93 Cb 0.99 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.12 3e1c h PRO 93 CO 0.52 0.12 0.00 0.41 -0.23 0.00 0.00 178.00 178.81 3e1c n GLY 94 N -0.20 -0.69 3.13 1.56 0.00 -1.26 -4.82 105.19 102.91 3e1c n GLY 94 Ca -0.00 -0.17 -0.44 0.00 0.00 0.00 0.00 46.02 45.41 3e1c n GLY 94 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 3e1c n LEU 95 N -0.49 6.07 0.00 0.99 7.94 -1.09 -5.00 117.00 125.42 3e1c n LEU 95 Ca 0.12 -5.04 -0.03 0.00 -1.11 0.00 0.00 56.01 49.96 3e1c n LEU 95 Cb 0.12 -1.39 0.02 0.00 0.53 0.00 0.00 43.42 42.70 3e1c n LEU 95 CO 0.09 1.47 0.08 1.17 -1.11 0.00 0.00 177.39 179.10 3e1c n LYS 96 N 2.37 -0.44 -1.31 1.96 4.81 -1.26 -4.82 118.16 119.47 3e1c n LYS 96 Ca 0.28 -0.19 -0.56 0.00 -0.87 0.00 0.00 58.31 56.97 3e1c n LYS 96 Cb 0.36 -0.14 -0.12 0.00 0.02 0.00 0.00 35.03 35.15 3e1c n LYS 96 CO 0.00 0.00 0.00 1.17 1.17 0.00 0.00 177.40 179.74 3e1c n LYS 97 N -1.43 0.09 -1.29 1.64 3.00 -1.26 -4.92 118.16 113.99 3e1c n LYS 97 Ca 0.02 0.02 -0.37 0.00 -0.00 0.00 0.00 58.31 57.98 3e1c n LYS 97 Cb 0.06 -1.59 0.05 0.00 0.00 0.00 0.00 35.03 33.55 3e1c n LYS 97 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 3e1c n ALA 98 N 8.29 -1.86 0.91 3.14 0.00 -1.26 -4.88 120.51 124.85 3e1c n ALA 98 Ca 0.56 -0.20 0.13 0.00 0.00 0.00 0.00 53.44 53.92 3e1c n ALA 98 Cb -0.00 -1.75 0.56 0.00 0.00 0.00 0.00 19.45 18.26 3e1c n ALA 98 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 3e1c n SER 99 N 0.44 0.00 -0.89 0.00 3.41 -1.26 -5.29 113.62 110.03 3e1c n SER 99 Ca 0.09 0.47 0.11 0.00 -0.26 0.00 0.00 58.87 59.29 3e1c n SER 99 Cb 0.49 -0.49 0.09 0.00 -0.26 0.00 0.00 64.21 64.05 3e1c n SER 99 CO 0.00 0.00 0.00 -2.67 -0.16 0.00 0.00 175.04 172.21