#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3iin s GLU 5 N 0.00 0.47 0.00 -0.52 -1.05 -1.26 -4.85 118.70 111.49 3iin s GLU 5 Ca 0.00 -0.02 0.00 0.00 -0.15 0.00 0.00 54.97 54.80 3iin s GLU 5 Cb 0.00 0.21 0.00 0.00 -0.44 0.00 0.00 34.13 33.90 3iin s GLU 5 CO 0.00 -0.11 0.00 0.25 0.95 0.00 0.00 175.26 176.35 3iin n THR 6 N 1.99 0.00 -4.59 1.83 -2.24 -1.26 -5.02 114.28 104.99 3iin n THR 6 Ca -0.18 0.00 -0.34 0.00 -2.27 0.00 0.00 64.05 61.26 3iin n THR 6 Cb 0.57 -0.02 -0.12 0.00 -2.10 0.00 0.00 70.33 68.66 3iin n THR 6 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 3iin s ARG 7 N 3.38 2.99 -0.12 -0.78 1.81 -1.26 -4.87 118.95 120.09 3iin s ARG 7 Ca 0.00 -0.55 -0.31 0.00 -1.72 0.00 0.00 55.73 53.15 3iin s ARG 7 Cb 0.00 -2.66 -0.15 0.00 -0.45 0.00 0.00 34.95 31.70 3iin s ARG 7 CO 0.00 0.54 0.91 -2.30 -0.68 0.00 0.00 175.30 173.78 3iin n PRO 8 N 2.59 0.00 -3.52 3.54 -0.02 -1.26 -4.70 135.00 131.63 3iin n PRO 8 Ca -0.18 0.00 -0.17 0.00 -2.02 0.00 0.00 63.50 61.13 3iin n PRO 8 Cb 0.53 -1.10 -0.06 0.00 -0.02 0.00 0.00 33.50 32.85 3iin n PRO 8 CO 0.00 0.00 0.00 1.21 1.98 0.00 0.00 175.50 178.69 3iin s ASN 9 N 0.74 -0.62 0.19 2.55 3.84 -1.26 -5.02 114.94 115.36 3iin s ASN 9 Ca 0.70 0.66 -0.09 0.00 0.21 0.00 0.00 52.86 54.33 3iin s ASN 9 Cb -0.99 0.51 0.12 0.00 -0.55 0.00 0.00 41.25 40.34 3iin s ASN 9 CO 0.48 -0.59 1.74 0.45 -2.79 0.00 0.00 177.10 176.39 3iin h HIS 10 N 2.92 1.10 -3.41 0.43 3.86 -1.91 -3.43 115.15 114.70 3iin h HIS 10 Ca -0.26 -0.10 -0.54 0.00 -1.16 0.00 0.00 60.37 58.30 3iin h HIS 10 Cb 1.15 -0.32 -0.04 0.00 1.06 0.00 0.00 27.41 29.26 3iin h HIS 10 CO 0.36 0.87 0.04 0.99 0.86 0.00 0.00 177.93 181.06 3iin s THR 11 N -5.47 4.64 -0.08 2.45 2.01 -1.26 -2.79 115.64 115.14 3iin s THR 11 Ca -0.12 1.26 0.05 0.00 0.31 0.00 0.00 61.69 63.18 3iin s THR 11 Cb 0.14 -3.90 -0.00 0.00 0.01 0.00 0.00 72.50 68.75 3iin s THR 11 CO 0.83 0.38 -0.23 0.27 -0.69 0.00 0.00 174.62 175.17 3iin s ILE 12 N -1.32 1.98 -0.29 1.82 -4.36 -0.55 -0.90 121.20 117.57 3iin s ILE 12 Ca 0.36 -0.99 -0.24 0.00 -0.26 0.00 0.00 60.65 59.52 3iin s ILE 12 Cb -0.18 -1.69 -0.00 0.00 1.25 0.00 0.00 42.46 41.83 3iin s ILE 12 CO 0.21 0.55 0.81 -0.47 0.24 0.00 0.00 174.94 176.28 3iin s TYR 13 N 0.15 3.22 -0.09 1.37 6.14 0.31 -2.98 117.35 125.48 3iin s TYR 13 Ca -0.12 0.91 0.04 0.00 0.64 0.00 0.00 57.07 58.54 3iin s TYR 13 Cb -0.16 -3.20 -0.01 0.00 0.42 0.00 0.00 41.96 39.01 3iin s TYR 13 CO 0.06 -0.54 -0.20 0.42 0.64 0.00 0.00 175.55 175.94 3iin s ILE 14 N 2.97 2.49 0.34 3.14 1.01 -0.72 -1.23 121.20 129.19 3iin s ILE 14 Ca 0.34 -0.89 0.04 0.00 0.00 0.00 0.00 60.65 60.14 3iin s ILE 14 Cb -0.14 -1.97 -0.02 0.00 0.01 0.00 0.00 42.46 40.34 3iin s ILE 14 CO 0.11 0.56 0.35 0.54 0.00 0.00 0.00 174.94 176.50 3iin s ASN 15 N 0.01 1.48 -0.45 3.58 4.22 -0.98 -1.23 114.94 121.59 3iin s ASN 15 Ca -0.07 -1.69 -0.19 0.00 -2.14 0.00 0.00 52.86 48.78 3iin s ASN 15 Cb -0.15 0.60 0.02 0.00 1.28 0.00 0.00 41.25 43.01 3iin s ASN 15 CO 0.05 -1.15 0.61 -3.20 -2.04 0.00 0.00 177.10 171.37 3iin n ASN 16 N -1.56 -7.61 -3.77 3.54 4.05 -1.10 -1.97 115.26 106.84 3iin n ASN 16 Ca 0.05 0.42 -0.18 0.00 0.45 0.00 0.00 54.58 55.32 3iin n ASN 16 Cb 0.62 -4.88 -0.09 0.00 1.23 0.00 0.00 39.78 36.66 3iin n ASN 16 CO 0.00 0.00 0.00 -0.76 -3.05 0.00 0.00 177.26 173.45 3iin s LEU 17 N -2.65 1.63 -0.18 1.20 1.43 -1.24 -4.24 118.68 114.63 3iin s LEU 17 Ca 0.26 -1.62 -0.29 0.00 -1.03 0.00 0.00 54.13 51.45 3iin s LEU 17 Cb -0.06 0.36 -0.03 0.00 0.03 0.00 0.00 46.19 46.49 3iin s LEU 17 CO 0.78 -0.96 1.50 0.21 0.23 0.00 0.00 176.35 178.12 3iin s ASN 18 N -3.35 6.63 -0.58 2.29 3.84 -1.26 -4.84 114.94 117.67 3iin s ASN 18 Ca 0.38 1.74 -0.02 0.00 0.21 0.00 0.00 52.86 55.16 3iin s ASN 18 Cb 0.04 -2.53 0.31 0.00 -0.55 0.00 0.00 41.25 38.51 3iin s ASN 18 CO 0.21 -1.03 2.15 -0.62 -2.79 0.00 0.00 177.10 175.01 3iin n GLU 19 N 7.23 2.42 0.00 0.43 1.02 -1.26 -4.17 120.64 126.31 3iin n GLU 19 Ca 0.17 -2.72 0.00 0.00 -0.02 0.00 0.00 57.16 54.58 3iin n GLU 19 Cb 0.45 -2.08 0.00 0.00 -0.02 0.00 0.00 31.44 29.78 3iin n GLU 19 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 3iin n LYS 20 N -0.23 2.44 -2.17 3.49 4.01 -1.26 -4.99 118.16 119.44 3iin n LYS 20 Ca 0.50 0.00 -0.42 0.00 -0.51 0.00 0.00 58.31 57.88 3iin n LYS 20 Cb 0.54 -0.82 -0.03 0.00 -0.51 0.00 0.00 35.03 34.21 3iin n LYS 20 CO 0.00 0.00 0.00 0.42 -1.11 0.00 0.00 177.40 176.71 3iin s ILE 21 N -1.63 3.28 0.87 -0.18 1.09 -1.26 -4.99 121.20 118.38 3iin s ILE 21 Ca 0.00 0.93 -0.11 0.00 -1.10 0.00 0.00 60.65 60.38 3iin s ILE 21 Cb 0.00 -3.60 0.12 0.00 -1.06 0.00 0.00 42.46 37.92 3iin s ILE 21 CO 0.00 0.08 1.11 -0.54 -0.10 0.00 0.00 174.94 175.49 3iin s LYS 22 N 0.95 1.40 0.15 2.79 1.02 -1.26 -4.68 119.74 120.12 3iin s LYS 22 Ca 0.64 1.21 -0.17 0.00 0.02 0.00 0.00 55.97 57.67 3iin s LYS 22 Cb -0.37 -1.80 0.00 0.00 -0.52 0.00 0.00 37.83 35.15 3iin s LYS 22 CO 0.31 -2.25 1.80 -0.22 -0.92 0.00 0.00 175.35 174.07 3iin h LYS 23 N -1.58 0.45 0.00 1.68 3.64 -1.95 0.28 116.57 119.10 3iin h LYS 23 Ca -0.46 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 58.90 3iin h LYS 23 Cb 1.26 -0.10 0.00 0.00 -0.41 0.00 0.00 32.23 32.98 3iin h LYS 23 CO 0.48 0.30 0.00 -0.44 -2.27 0.00 0.00 179.45 177.52 3iin h ASP 24 N 0.46 0.00 0.09 4.20 3.32 -1.99 -2.93 116.42 119.58 3iin h ASP 24 Ca 0.14 0.00 -0.37 0.00 0.02 0.00 0.00 57.03 56.81 3iin h ASP 24 Cb -0.03 0.00 -0.03 0.00 0.22 0.00 0.00 39.33 39.49 3iin h ASP 24 CO -0.04 0.00 -2.11 1.21 -1.72 0.00 0.00 179.24 176.58 3iin n GLU 25 N -3.01 0.73 0.16 3.56 2.13 -0.83 -4.18 120.64 119.21 3iin n GLU 25 Ca 0.01 0.24 0.02 0.00 0.66 0.00 0.00 57.16 58.09 3iin n GLU 25 Cb 0.30 -1.66 0.27 0.00 0.27 0.00 0.00 31.44 30.61 3iin n GLU 25 CO 0.00 0.00 0.00 1.25 -0.41 0.00 0.00 177.13 177.97 3iin h LEU 26 N 0.04 0.00 -1.05 4.31 5.85 -0.47 -1.73 115.31 122.26 3iin h LEU 26 Ca -0.46 0.00 -0.07 0.00 0.84 0.00 0.00 57.88 58.19 3iin h LEU 26 Cb 2.00 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 43.01 3iin h LEU 26 CO 0.04 0.49 -0.10 0.11 -0.34 0.00 0.00 178.44 178.64 3iin h LYS 27 N 0.00 0.57 0.00 1.25 1.57 -1.72 -2.60 116.57 115.64 3iin h LYS 27 Ca -0.00 -0.16 0.00 0.00 -1.87 0.00 0.00 60.65 58.61 3iin h LYS 27 Cb 0.95 -0.06 0.00 0.00 0.08 0.00 0.00 32.23 33.20 3iin h LYS 27 CO 0.06 0.66 -0.45 1.63 -0.57 0.00 0.00 179.45 180.79 3iin n LYS 28 N -4.20 0.23 0.00 3.15 5.02 -1.06 -3.25 118.16 118.05 3iin n LYS 28 Ca 0.01 0.10 0.13 0.00 -2.02 0.00 0.00 58.31 56.53 3iin n LYS 28 Cb 0.32 -1.68 0.47 0.00 -0.02 0.00 0.00 35.03 34.13 3iin n LYS 28 CO 0.00 0.00 0.00 0.43 -0.52 0.00 0.00 177.40 177.31 3iin n SER 29 N -2.03 0.21 -0.00 4.39 7.64 -0.68 -3.77 113.62 119.39 3iin n SER 29 Ca 0.04 0.16 0.03 0.00 1.01 0.00 0.00 58.87 60.11 3iin n SER 29 Cb 0.42 -0.19 -0.03 0.00 -1.01 0.00 0.00 64.21 63.40 3iin n SER 29 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 3iin n LEU 30 N -1.48 0.21 0.09 -3.43 4.77 -1.11 -4.69 117.00 111.36 3iin n LEU 30 Ca 0.07 -0.43 -0.12 0.00 -0.03 0.00 0.00 56.01 55.50 3iin n LEU 30 Cb 0.34 0.00 -0.08 0.00 -2.33 0.00 0.00 43.42 41.34 3iin n LEU 30 CO 0.30 0.05 0.50 -0.74 -1.33 0.00 0.00 177.39 176.17 3iin h HIS 31 N 0.00 -0.24 0.04 -1.77 2.76 -1.64 -2.99 115.15 111.30 3iin h HIS 31 Ca 0.00 -0.01 -0.24 0.00 -2.20 0.00 0.00 60.37 57.93 3iin h HIS 31 Cb 0.14 0.08 0.00 0.00 1.55 0.00 0.00 27.41 29.18 3iin h HIS 31 CO 0.00 0.16 -1.02 0.00 -1.30 0.00 0.00 177.93 175.77 3iin h ALA 32 N -0.13 0.30 -0.27 5.26 0.00 -1.87 -3.30 119.26 119.26 3iin h ALA 32 Ca -0.03 -0.76 -0.15 0.00 0.00 0.00 0.00 54.91 53.97 3iin h ALA 32 Cb 0.51 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.28 3iin h ALA 32 CO 0.04 0.86 -0.43 0.82 0.00 0.00 0.00 179.25 180.54 3iin h ILE 33 N 0.18 1.30 -2.08 0.00 5.03 -1.84 -3.31 117.51 116.79 3iin h ILE 33 Ca -0.09 -1.63 -0.75 0.00 -0.12 0.00 0.00 64.86 62.27 3iin h ILE 33 Cb 1.68 1.68 -0.30 0.00 -3.03 0.00 0.00 36.82 36.85 3iin h ILE 33 CO 0.17 0.52 0.68 0.49 -0.68 0.00 0.00 178.15 179.33 3iin n PHE 34 N -4.14 3.06 0.00 1.37 3.72 -1.13 -4.48 117.46 115.86 3iin n PHE 34 Ca -0.05 -2.69 0.00 0.00 -0.05 0.00 0.00 57.45 54.67 3iin n PHE 34 Cb 0.56 -1.00 0.00 0.00 -0.94 0.00 0.00 39.48 38.10 3iin n PHE 34 CO 0.00 0.00 0.00 -1.13 -0.05 0.00 0.00 176.76 175.58 3iin n SER 35 N -0.31 4.79 -0.20 4.37 3.41 -1.24 -4.73 113.62 119.70 3iin n SER 35 Ca 0.47 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 59.08 3iin n SER 35 Cb 0.31 0.52 0.00 0.00 -0.26 0.00 0.00 64.21 64.78 3iin n SER 35 CO 0.00 0.00 0.00 -2.11 -0.16 0.00 0.00 175.04 172.77 3iin n ARG 36 N -1.89 0.79 -0.08 4.33 -4.01 -1.26 -2.78 116.66 111.75 3iin n ARG 36 Ca 0.00 0.00 -0.07 0.00 -1.04 0.00 0.00 57.85 56.74 3iin n ARG 36 Cb 0.44 -1.16 -0.16 0.00 -3.04 0.00 0.00 32.46 28.54 3iin n ARG 36 CO 0.00 0.00 0.00 1.19 -3.04 0.00 0.00 177.63 175.78 3iin n PHE 37 N -0.25 0.00 -3.97 2.89 3.72 -1.26 -5.11 117.46 113.48 3iin n PHE 37 Ca 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.40 3iin n PHE 37 Cb 0.08 -0.90 0.00 0.00 -0.94 0.00 0.00 39.48 37.72 3iin n PHE 37 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3iin n GLY 38 N 1.71 -0.61 3.73 1.37 0.00 -1.12 -4.40 105.19 105.88 3iin n GLY 38 Ca -0.28 -1.14 -0.41 0.00 0.00 0.00 0.00 46.02 44.19 3iin n GLY 38 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 3iin s GLN 39 N -2.00 4.58 -0.10 1.61 0.74 -1.26 -4.82 119.66 118.40 3iin s GLN 39 Ca 0.00 1.70 -0.04 0.00 0.05 0.00 0.00 55.36 57.07 3iin s GLN 39 Cb 0.00 -3.30 -0.04 0.00 1.10 0.00 0.00 33.01 30.77 3iin s GLN 39 CO 0.00 0.03 0.04 0.42 -0.55 0.00 0.00 175.29 175.24 3iin s ILE 40 N 0.00 4.67 0.00 -2.34 1.01 -1.26 -0.68 121.20 122.60 3iin s ILE 40 Ca 0.51 -0.11 0.00 0.00 0.00 0.00 0.00 60.65 61.05 3iin s ILE 40 Cb -0.29 -3.00 0.00 0.00 0.01 0.00 0.00 42.46 39.19 3iin s ILE 40 CO 0.34 0.60 0.00 0.18 0.00 0.00 0.00 174.94 176.05 3iin n LEU 41 N 2.23 0.55 -3.68 2.97 4.77 0.23 -4.90 117.00 119.18 3iin n LEU 41 Ca -0.19 0.15 -0.15 0.00 -0.03 0.00 0.00 56.01 55.80 3iin n LEU 41 Cb 0.54 -0.31 -0.08 0.00 -2.33 0.00 0.00 43.42 41.24 3iin n LEU 41 CO 0.30 -0.31 0.18 -0.62 -1.33 0.00 0.00 177.39 175.61 3iin s ASP 42 N -2.56 -0.43 -0.17 -1.43 2.15 -1.25 -5.04 116.67 107.95 3iin s ASP 42 Ca 0.00 0.57 -0.00 0.00 0.43 0.00 0.00 52.55 53.55 3iin s ASP 42 Cb 0.00 0.62 0.00 0.00 -0.30 0.00 0.00 42.92 43.24 3iin s ASP 42 CO 0.00 -0.39 -0.14 -0.63 -0.17 0.00 0.00 175.17 173.84 3iin s ILE 43 N -0.72 2.70 -0.21 4.11 1.01 -1.26 -3.05 121.20 123.77 3iin s ILE 43 Ca -0.08 -0.75 -0.06 0.00 0.00 0.00 0.00 60.65 59.76 3iin s ILE 43 Cb -0.03 -2.16 -0.03 0.00 0.01 0.00 0.00 42.46 40.25 3iin s ILE 43 CO 0.04 0.50 0.03 -0.76 0.00 0.00 0.00 174.94 174.76 3iin s LEU 44 N 1.00 3.40 -0.06 2.97 2.01 -0.94 -5.01 118.68 122.05 3iin s LEU 44 Ca -0.02 -0.15 0.03 0.00 0.01 0.00 0.00 54.13 54.00 3iin s LEU 44 Cb -0.15 -1.87 0.01 0.00 0.01 0.00 0.00 46.19 44.19 3iin s LEU 44 CO -0.03 0.06 -0.13 -0.69 1.01 0.00 0.00 176.35 176.58 3iin s VAL 45 N 1.02 1.16 -0.03 -1.59 1.01 -1.26 -2.55 120.40 118.15 3iin s VAL 45 Ca 0.03 -0.51 0.03 0.00 0.00 0.00 0.00 61.98 61.52 3iin s VAL 45 Cb -0.14 -1.05 0.00 0.00 0.00 0.00 0.00 36.38 35.20 3iin s VAL 45 CO 0.02 0.36 -0.10 -0.55 0.00 0.00 0.00 175.10 174.83 3iin s SER 46 N 0.52 1.32 0.00 3.32 0.15 -1.26 -5.01 113.70 112.74 3iin s SER 46 Ca -0.12 -0.21 0.27 0.00 0.70 0.00 0.00 55.95 56.60 3iin s SER 46 Cb -0.14 -0.38 0.90 0.00 -1.71 0.00 0.00 66.02 64.69 3iin s SER 46 CO 0.03 0.07 1.66 0.54 1.20 0.00 0.00 173.24 176.74 3iin n ARG 47 N 3.32 1.78 -1.30 5.44 5.12 -1.26 -3.42 116.66 126.34 3iin n ARG 47 Ca -0.19 -1.13 -0.33 0.00 -1.93 0.00 0.00 57.85 54.27 3iin n ARG 47 Cb 0.54 -1.48 0.10 0.00 -1.16 0.00 0.00 32.46 30.47 3iin n ARG 47 CO 0.00 0.00 0.00 -1.54 -1.93 0.00 0.00 177.63 174.16 3iin s SER 48 N -1.99 4.02 0.38 0.55 1.04 -1.26 -4.53 113.70 111.91 3iin s SER 48 Ca 0.36 2.28 0.11 0.00 0.48 0.00 0.00 55.95 59.18 3iin s SER 48 Cb 0.21 -2.58 0.89 0.00 0.10 0.00 0.00 66.02 64.64 3iin s SER 48 CO 0.33 -2.37 1.89 0.25 0.98 0.00 0.00 173.24 174.31 3iin h LEU 49 N -0.62 0.57 -0.36 2.42 5.85 -1.96 0.45 115.31 121.66 3iin h LEU 49 Ca -0.46 0.03 -0.19 0.00 0.84 0.00 0.00 57.88 58.10 3iin h LEU 49 Cb 1.28 -0.08 -0.01 0.00 0.37 0.00 0.00 40.66 42.22 3iin h LEU 49 CO 0.48 0.29 -0.81 0.50 -0.34 0.00 0.00 178.44 178.56 3iin h LYS 50 N 0.60 0.21 -0.11 1.25 1.63 -1.96 -3.36 116.57 114.84 3iin h LYS 50 Ca 0.42 -0.21 0.00 0.00 -0.85 0.00 0.00 60.65 60.01 3iin h LYS 50 Cb 0.75 0.05 0.00 0.00 -0.60 0.00 0.00 32.23 32.44 3iin h LYS 50 CO -0.18 0.92 0.00 -1.33 -3.45 0.00 0.00 179.45 175.41 3iin n MET 51 N -3.71 1.20 -2.23 1.90 2.81 -0.26 -5.00 117.12 111.83 3iin n MET 51 Ca -0.03 -1.35 -0.41 0.00 -1.81 0.00 0.00 57.70 54.10 3iin n MET 51 Cb 0.76 -1.18 -0.03 0.00 -0.71 0.00 0.00 33.22 32.07 3iin n MET 51 CO 0.00 0.00 0.00 -0.98 1.51 0.00 0.00 175.97 176.50 3iin s ARG 52 N -0.81 4.44 -0.46 0.03 1.70 0.14 -2.50 118.95 121.48 3iin s ARG 52 Ca 0.13 2.07 0.00 0.00 -0.47 0.00 0.00 55.73 57.46 3iin s ARG 52 Cb 0.08 -3.13 0.00 0.00 -0.57 0.00 0.00 34.95 31.33 3iin s ARG 52 CO 0.11 -0.10 0.00 0.41 -1.08 0.00 0.00 175.30 174.64 3iin n GLY 53 N 1.24 0.69 3.07 3.88 0.00 -1.26 -4.94 105.19 107.87 3iin n GLY 53 Ca 0.01 -0.41 -0.21 0.00 0.00 0.00 0.00 46.02 45.42 3iin n GLY 53 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3iin s GLN 54 N -1.83 0.99 -0.05 1.61 -0.21 -1.04 -2.71 119.66 116.42 3iin s GLN 54 Ca 0.00 -0.43 -0.09 0.00 0.02 0.00 0.00 55.36 54.86 3iin s GLN 54 Cb 0.00 -0.95 0.02 0.00 1.00 0.00 0.00 33.01 33.08 3iin s GLN 54 CO 0.00 0.25 0.22 0.00 -2.12 0.00 0.00 175.29 173.64 3iin s ALA 55 N -0.25 -0.54 -0.14 6.09 0.00 -0.36 -4.39 121.76 122.18 3iin s ALA 55 Ca 0.04 0.36 -0.03 0.00 0.00 0.00 0.00 51.96 52.34 3iin s ALA 55 Cb -0.05 -0.16 -0.03 0.00 0.00 0.00 0.00 23.12 22.89 3iin s ALA 55 CO -0.00 -0.17 -0.05 -0.06 0.00 0.00 0.00 175.76 175.48 3iin s PHE 56 N -0.58 3.00 -0.10 0.00 0.40 -1.06 -1.75 117.98 117.89 3iin s PHE 56 Ca -0.07 -0.24 0.01 0.00 -0.60 0.00 0.00 56.93 56.03 3iin s PHE 56 Cb -0.04 -1.90 0.02 0.00 0.51 0.00 0.00 43.02 41.61 3iin s PHE 56 CO 0.01 0.04 -0.13 0.08 0.70 0.00 0.00 175.22 175.93 3iin s VAL 57 N 0.10 1.32 -0.12 -0.44 1.01 -1.16 -2.23 120.40 118.89 3iin s VAL 57 Ca -0.01 -0.53 0.00 0.00 0.00 0.00 0.00 61.98 61.44 3iin s VAL 57 Cb -0.14 -1.23 -0.02 0.00 0.00 0.00 0.00 36.38 34.99 3iin s VAL 57 CO 0.03 0.41 -0.13 -0.63 0.00 0.00 0.00 175.10 174.77 3iin s ILE 58 N 1.09 3.03 0.44 2.22 1.01 -1.17 -1.48 121.20 126.34 3iin s ILE 58 Ca -0.05 -0.68 0.08 0.00 0.00 0.00 0.00 60.65 60.00 3iin s ILE 58 Cb -0.14 -2.26 -0.01 0.00 0.01 0.00 0.00 42.46 40.06 3iin s ILE 58 CO -0.02 0.53 0.42 -0.36 0.00 0.00 0.00 174.94 175.51 3iin s PHE 59 N 0.19 2.56 0.04 3.97 0.08 -1.12 -0.60 117.98 123.11 3iin s PHE 59 Ca -0.08 -0.52 -0.21 0.00 0.12 0.00 0.00 56.93 56.24 3iin s PHE 59 Cb -0.15 -2.17 -0.14 0.00 -0.57 0.00 0.00 43.02 39.98 3iin s PHE 59 CO 0.05 -0.23 1.38 -0.22 -0.10 0.00 0.00 175.22 176.10 3iin h LYS 60 N 0.92 0.31 -5.07 0.44 1.63 -1.25 -3.43 116.57 110.13 3iin h LYS 60 Ca -0.40 -0.15 -0.40 0.00 -0.85 0.00 0.00 60.65 58.85 3iin h LYS 60 Cb 1.27 -0.00 -0.14 0.00 -0.60 0.00 0.00 32.23 32.76 3iin h LYS 60 CO 0.55 0.66 -0.62 -1.21 -3.45 0.00 0.00 179.45 175.38 3iin s GLU 61 N -4.48 1.48 0.24 1.90 2.02 -1.26 -5.06 118.70 113.54 3iin s GLU 61 Ca -0.14 -1.80 -0.04 0.00 0.02 0.00 0.00 54.97 53.01 3iin s GLU 61 Cb 0.05 -0.58 0.26 0.00 0.10 0.00 0.00 34.13 33.96 3iin s GLU 61 CO 0.74 -0.20 1.75 0.28 0.02 0.00 0.00 175.26 177.85 3iin h VAL 62 N 2.31 1.25 -0.57 2.63 2.07 -1.92 -2.66 116.25 119.35 3iin h VAL 62 Ca -0.39 -0.97 0.00 0.00 0.82 0.00 0.00 66.70 66.16 3iin h VAL 62 Cb 1.24 0.72 -0.03 0.00 -1.52 0.00 0.00 31.29 31.70 3iin h VAL 62 CO 0.65 0.36 0.36 0.77 0.02 0.00 0.00 177.57 179.73 3iin h SER 63 N 0.88 0.67 0.76 0.57 4.64 -1.97 0.37 113.55 119.47 3iin h SER 63 Ca 0.18 -0.03 -0.13 0.00 -0.47 0.00 0.00 61.79 61.34 3iin h SER 63 Cb 0.40 -0.17 -0.02 0.00 -0.31 0.00 0.00 62.40 62.31 3iin h SER 63 CO 0.01 0.50 -0.64 0.28 -0.87 0.00 0.00 176.83 176.11 3iin h SER 64 N 0.78 0.00 0.52 4.97 0.02 -1.71 -2.52 113.55 115.62 3iin h SER 64 Ca 0.21 0.00 -0.29 0.00 -0.84 0.00 0.00 61.79 60.86 3iin h SER 64 Cb -0.06 0.00 0.01 0.00 0.14 0.00 0.00 62.40 62.49 3iin h SER 64 CO -0.04 0.64 -1.35 0.00 -1.14 0.00 0.00 176.83 174.94 3iin h ALA 65 N 1.36 0.08 -0.07 3.77 0.00 -0.92 -3.16 119.26 120.32 3iin h ALA 65 Ca -0.01 -0.92 -0.17 0.00 0.00 0.00 0.00 54.91 53.81 3iin h ALA 65 Cb 1.19 0.10 -0.01 0.00 0.00 0.00 0.00 17.79 19.07 3iin h ALA 65 CO 0.08 0.95 -0.70 1.15 0.00 0.00 0.00 179.25 180.73 3iin h THR 66 N 0.09 1.39 -0.43 0.00 2.02 -0.36 -2.56 112.91 113.07 3iin h THR 66 Ca -0.18 -2.14 -0.09 0.00 0.77 0.00 0.00 66.41 64.77 3iin h THR 66 Cb 2.02 2.11 -0.02 0.00 -1.74 0.00 0.00 68.15 70.53 3iin h THR 66 CO 0.21 0.64 -0.11 -1.13 0.37 0.00 0.00 175.52 175.50 3iin h ASN 67 N 0.23 0.75 0.56 4.18 -1.24 -1.56 -2.59 115.58 115.91 3iin h ASN 67 Ca -0.02 -0.22 -0.10 0.00 0.71 0.00 0.00 56.30 56.66 3iin h ASN 67 Cb 1.26 -0.20 -0.01 0.00 0.73 0.00 0.00 38.32 40.10 3iin h ASN 67 CO 0.12 0.88 -0.49 0.00 -1.29 0.00 0.00 177.43 176.64 3iin h ALA 68 N 1.19 1.12 0.00 1.57 0.00 -1.51 -1.38 119.26 120.26 3iin h ALA 68 Ca 0.12 -0.45 -0.10 0.00 0.00 0.00 0.00 54.91 54.48 3iin h ALA 68 Cb 0.58 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.27 3iin h ALA 68 CO 0.04 0.61 -0.50 1.25 0.00 0.00 0.00 179.25 180.65 3iin h LEU 69 N 0.00 0.00 0.00 0.00 5.85 -1.08 -3.24 115.31 116.85 3iin h LEU 69 Ca -0.00 0.00 -0.32 0.00 0.84 0.00 0.00 57.88 58.39 3iin h LEU 69 Cb 0.91 0.00 -0.05 0.00 0.37 0.00 0.00 40.66 41.88 3iin h LEU 69 CO 0.06 0.50 -2.17 0.54 -0.34 0.00 0.00 178.44 177.03 3iin n ARG 70 N -3.88 0.49 -0.05 1.25 1.74 -1.04 -4.11 116.66 111.06 3iin n ARG 70 Ca -0.01 0.14 -0.13 0.00 -0.77 0.00 0.00 57.85 57.08 3iin n ARG 70 Cb 0.52 -1.36 -0.07 0.00 -1.02 0.00 0.00 32.46 30.53 3iin n ARG 70 CO 0.00 0.00 0.00 1.03 -1.52 0.00 0.00 177.63 177.14 3iin h SER 71 N -0.25 0.38 -0.88 0.55 0.87 -1.42 -3.25 113.55 109.55 3iin h SER 71 Ca -0.48 -0.50 -0.54 0.00 -1.23 0.00 0.00 61.79 59.04 3iin h SER 71 Cb 1.63 -0.11 -0.28 0.00 -0.44 0.00 0.00 62.40 63.20 3iin h SER 71 CO -0.16 0.81 0.48 0.23 -0.53 0.00 0.00 176.83 177.66 3iin n MET 72 N -4.54 2.50 -2.27 2.24 2.81 -1.22 -5.00 117.12 111.65 3iin n MET 72 Ca -0.06 -3.27 -0.42 0.00 -1.81 0.00 0.00 57.70 52.13 3iin n MET 72 Cb 0.38 -2.18 -0.03 0.00 -0.71 0.00 0.00 33.22 30.68 3iin n MET 72 CO 0.00 0.00 0.00 -1.14 1.51 0.00 0.00 175.97 176.34 3iin s GLN 73 N -3.54 4.25 -1.15 0.03 2.00 -1.23 -3.53 119.66 116.49 3iin s GLN 73 Ca 0.58 1.88 -0.04 0.00 -2.00 0.00 0.00 55.36 55.78 3iin s GLN 73 Cb 0.47 -3.72 0.00 0.00 0.80 0.00 0.00 33.01 30.57 3iin s GLN 73 CO 0.04 -0.66 0.55 0.41 -0.50 0.00 0.00 175.29 175.13 3iin n GLY 74 N 3.70 -0.21 3.72 2.59 0.00 -1.24 -4.97 105.19 108.77 3iin n GLY 74 Ca 0.14 -0.07 -0.42 0.00 0.00 0.00 0.00 46.02 45.67 3iin n GLY 74 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 3iin s PHE 75 N -3.07 3.31 -0.90 1.61 5.36 -1.23 -4.43 117.98 118.63 3iin s PHE 75 Ca 0.27 1.08 -0.25 0.00 -0.96 0.00 0.00 56.93 57.07 3iin s PHE 75 Cb -0.12 -3.59 -0.10 0.00 -0.34 0.00 0.00 43.02 38.87 3iin s PHE 75 CO 0.34 -1.98 2.14 -2.14 -1.46 0.00 0.00 175.22 172.11 3iin s PRO 76 N 1.05 2.05 -0.44 10.12 0.02 -1.26 -2.79 135.00 143.76 3iin s PRO 76 Ca 0.62 -0.09 -0.21 0.00 0.02 0.00 0.00 61.00 61.35 3iin s PRO 76 Cb -0.34 -4.97 0.02 0.00 0.02 0.00 0.00 34.50 29.24 3iin s PRO 76 CO 0.30 -4.05 0.64 0.12 -0.33 0.00 0.00 177.00 173.68 3iin s PHE 77 N 12.63 3.07 -1.05 6.54 5.36 0.16 -4.24 117.98 140.45 3iin s PHE 77 Ca 0.80 -0.06 -0.13 0.00 -0.96 0.00 0.00 56.93 56.58 3iin s PHE 77 Cb -0.08 -3.34 -0.03 0.00 -0.34 0.00 0.00 43.02 39.23 3iin s PHE 77 CO 0.06 -0.87 0.82 0.66 -1.46 0.00 0.00 175.22 174.43 3iin n TYR 78 N 6.25 -2.23 -1.06 10.12 4.01 -1.26 -2.74 117.16 130.25 3iin n TYR 78 Ca -0.02 0.68 -0.02 0.00 -0.16 0.00 0.00 57.90 58.38 3iin n TYR 78 Cb 0.48 -3.73 -0.01 0.00 -0.31 0.00 0.00 39.34 35.77 3iin n TYR 78 CO 0.00 0.00 0.00 -0.25 -0.46 0.00 0.00 176.86 176.15 3iin n ASP 79 N -2.78 -5.48 -3.75 7.72 10.43 -1.26 -4.64 116.55 116.79 3iin n ASP 79 Ca -0.08 0.05 -0.19 0.00 2.57 0.00 0.00 54.79 57.14 3iin n ASP 79 Cb 0.60 -3.16 -0.17 0.00 1.84 0.00 0.00 41.12 40.22 3iin n ASP 79 CO 0.00 0.00 0.00 -0.54 -1.07 0.00 0.00 177.20 175.59 3iin s LYS 80 N -1.90 0.22 0.55 -1.24 1.02 -1.11 -5.08 119.74 112.20 3iin s LYS 80 Ca 0.00 0.19 -0.20 0.00 0.02 0.00 0.00 55.97 55.98 3iin s LYS 80 Cb 0.00 -0.59 -0.05 0.00 -0.52 0.00 0.00 37.83 36.67 3iin s LYS 80 CO 0.00 -0.24 1.23 -2.14 -0.92 0.00 0.00 175.35 173.28 3iin s PRO 81 N 1.64 3.19 -0.09 -1.68 0.02 -1.26 0.37 135.00 137.19 3iin s PRO 81 Ca -0.01 1.90 0.01 0.00 0.02 0.00 0.00 61.00 62.92 3iin s PRO 81 Cb -0.13 -2.11 -0.03 0.00 0.02 0.00 0.00 34.50 32.26 3iin s PRO 81 CO -0.03 -1.05 -0.10 0.00 -0.33 0.00 0.00 177.00 175.49 3iin s MET 82 N -3.09 2.93 -0.16 5.54 0.23 -1.12 -4.67 119.30 118.96 3iin s MET 82 Ca 0.73 -0.61 -0.22 0.00 -1.03 0.00 0.00 55.69 54.56 3iin s MET 82 Cb -0.32 -2.58 -0.03 0.00 -1.53 0.00 0.00 34.83 30.37 3iin s MET 82 CO 0.36 0.51 0.66 1.03 -2.03 0.00 0.00 175.02 175.56 3iin s ARG 83 N -0.41 4.29 -0.17 3.16 0.52 -0.83 -3.64 118.95 121.87 3iin s ARG 83 Ca 0.05 0.72 0.01 0.00 -0.52 0.00 0.00 55.73 56.00 3iin s ARG 83 Cb -0.12 -3.53 0.01 0.00 0.52 0.00 0.00 34.95 31.83 3iin s ARG 83 CO 0.02 -0.15 -0.20 0.42 0.02 0.00 0.00 175.30 175.42 3iin s ILE 84 N 1.57 2.17 0.11 1.52 1.01 -1.26 -2.31 121.20 124.01 3iin s ILE 84 Ca 0.32 -0.92 0.03 0.00 0.00 0.00 0.00 60.65 60.08 3iin s ILE 84 Cb -0.16 -1.90 -0.04 0.00 0.01 0.00 0.00 42.46 40.37 3iin s ILE 84 CO 0.12 0.54 -0.08 -1.10 0.00 0.00 0.00 174.94 174.42 3iin s GLN 85 N 1.11 0.90 0.52 2.79 -0.21 -0.37 -4.85 119.66 119.56 3iin s GLN 85 Ca 0.00 -1.32 -0.19 0.00 0.02 0.00 0.00 55.36 53.87 3iin s GLN 85 Cb -0.14 -0.40 -0.07 0.00 1.00 0.00 0.00 33.01 33.40 3iin s GLN 85 CO -0.08 0.03 1.05 0.71 -2.12 0.00 0.00 175.29 174.88 3iin s TYR 86 N -3.25 2.96 -0.27 0.91 2.02 -1.26 0.11 117.35 118.57 3iin s TYR 86 Ca 0.11 1.56 -0.29 0.00 -0.37 0.00 0.00 57.07 58.08 3iin s TYR 86 Cb 0.02 -3.08 0.00 0.00 -0.40 0.00 0.00 41.96 38.51 3iin s TYR 86 CO -0.02 -0.99 1.26 0.00 -1.57 0.00 0.00 175.55 174.23 3iin s ALA 87 N -2.08 3.45 0.27 3.71 0.00 -0.08 -4.32 121.76 122.70 3iin s ALA 87 Ca 0.67 0.16 -0.01 0.00 0.00 0.00 0.00 51.96 52.77 3iin s ALA 87 Cb -0.17 -3.73 0.36 0.00 0.00 0.00 0.00 23.12 19.58 3iin s ALA 87 CO 0.25 -1.60 1.76 0.87 0.00 0.00 0.00 175.76 177.04 3iin h LYS 88 N 8.89 0.75 -5.50 0.00 1.57 -1.89 -3.41 116.57 116.98 3iin h LYS 88 Ca -0.25 -0.21 -0.60 0.00 -1.87 0.00 0.00 60.65 57.72 3iin h LYS 88 Cb 1.09 -0.08 -0.10 0.00 0.08 0.00 0.00 32.23 33.22 3iin h LYS 88 CO 1.02 0.77 -0.35 0.99 -0.57 0.00 0.00 179.45 181.31 3iin s THR 89 N -4.94 5.32 0.40 -0.16 2.01 -1.26 -5.07 115.64 111.94 3iin s THR 89 Ca -0.09 0.49 -0.25 0.00 0.31 0.00 0.00 61.69 62.14 3iin s THR 89 Cb 0.15 -3.60 -0.08 0.00 0.01 0.00 0.00 72.50 68.97 3iin s THR 89 CO 0.81 0.42 1.18 -1.81 -0.69 0.00 0.00 174.62 174.53 3iin s ASP 90 N 0.26 6.53 0.72 3.53 1.01 -1.26 -5.01 116.67 122.44 3iin s ASP 90 Ca 0.16 2.36 -0.11 0.00 0.71 0.00 0.00 52.55 55.67 3iin s ASP 90 Cb -0.13 -2.62 0.02 0.00 1.01 0.00 0.00 42.92 41.21 3iin s ASP 90 CO 0.04 -0.67 1.07 -0.44 0.21 0.00 0.00 175.17 175.38 3iin s SER 91 N -1.10 5.19 0.39 0.27 0.01 -1.26 -4.96 113.70 112.24 3iin s SER 91 Ca 0.57 1.45 0.28 0.00 1.31 0.00 0.00 55.95 59.55 3iin s SER 91 Cb -0.31 -2.29 1.06 0.00 0.21 0.00 0.00 66.02 64.69 3iin s SER 91 CO 0.39 -1.55 1.82 0.44 0.41 0.00 0.00 173.24 174.76 3iin h ASP 92 N -0.79 0.00 -0.08 2.44 3.32 -2.01 -3.15 116.42 116.15 3iin h ASP 92 Ca -0.45 0.00 -0.19 0.00 0.02 0.00 0.00 57.03 56.41 3iin h ASP 92 Cb 1.23 0.00 0.01 0.00 0.22 0.00 0.00 39.33 40.79 3iin h ASP 92 CO 0.59 0.00 -0.71 0.40 -1.72 0.00 0.00 179.24 177.80 3iin h ILE 93 N 0.00 1.33 -0.26 0.35 1.08 -2.02 -3.30 117.51 114.70 3iin h ILE 93 Ca 0.00 -2.00 -0.17 0.00 -0.39 0.00 0.00 64.86 62.29 3iin h ILE 93 Cb 0.53 2.25 -0.00 0.00 -3.07 0.00 0.00 36.82 36.53 3iin h ILE 93 CO 0.00 0.61 -0.54 0.40 -0.69 0.00 0.00 178.15 177.93 3iin h ILE 94 N 0.25 1.29 0.00 -0.67 1.08 -1.94 -3.19 117.51 114.33 3iin h ILE 94 Ca -0.07 -1.74 -0.02 0.00 -0.39 0.00 0.00 64.86 62.64 3iin h ILE 94 Cb 1.37 1.67 -0.00 0.00 -3.07 0.00 0.00 36.82 36.78 3iin h ILE 94 CO 0.14 0.56 -0.10 0.00 -0.69 0.00 0.00 178.15 178.06 3iin h ALA 95 N 0.81 1.70 0.00 1.87 0.00 -1.66 -1.76 119.26 120.21 3iin h ALA 95 Ca 0.01 -0.09 -0.07 0.00 0.00 0.00 0.00 54.91 54.76 3iin h ALA 95 Cb 1.12 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.88 3iin h ALA 95 CO 0.11 0.13 -0.32 0.87 0.00 0.00 0.00 179.25 180.04 3iin h LYS 96 N 0.00 0.00 0.00 0.00 1.57 -1.63 -3.25 116.57 113.27 3iin h LYS 96 Ca -0.00 0.00 -0.25 0.00 -1.87 0.00 0.00 60.65 58.53 3iin h LYS 96 Cb 0.20 0.00 -0.04 0.00 0.08 0.00 0.00 32.23 32.46 3iin h LYS 96 CO 0.01 0.32 -1.62 -1.33 -0.57 0.00 0.00 179.45 176.26 3iin n MET 97 N -3.33 0.63 0.00 3.15 2.81 -0.73 -5.16 117.12 114.49 3iin n MET 97 Ca 0.01 0.27 0.15 0.00 -1.81 0.00 0.00 57.70 56.32 3iin n MET 97 Cb 0.55 -1.80 0.77 0.00 -0.71 0.00 0.00 33.22 32.02 3iin n MET 97 CO 0.00 0.00 0.00 1.63 1.51 0.00 0.00 175.97 179.11