#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kno s PHE 12 N 0.00 1.51 0.57 2.13 -0.12 -1.26 -4.78 117.98 116.03 3kno s PHE 12 Ca 0.00 0.98 0.37 0.00 -0.05 0.00 0.00 56.93 58.22 3kno s PHE 12 Cb 0.00 -3.96 1.46 0.00 -0.63 0.00 0.00 43.02 39.89 3kno s PHE 12 CO 0.00 -2.42 1.67 0.00 -0.05 0.00 0.00 175.22 174.42 3kno h ARG 13 N 16.03 0.00 0.00 1.99 -0.00 -2.06 -3.46 114.38 126.88 3kno h ARG 13 Ca -0.26 0.00 0.00 0.00 -0.50 0.00 0.00 59.98 59.22 3kno h ARG 13 Cb 1.19 0.00 0.00 0.00 0.00 0.00 0.00 29.97 31.16 3kno h ARG 13 CO 1.19 0.00 0.00 0.28 0.00 0.00 0.00 179.97 181.44 3kno n VAL 14 N -3.86 0.00 -0.81 2.04 0.31 -1.26 -4.76 118.33 109.99 3kno n VAL 14 Ca 0.26 0.00 -0.03 0.00 -0.01 0.00 0.00 64.34 64.56 3kno n VAL 14 Cb 1.38 0.00 -0.01 0.00 -0.91 0.00 0.00 33.84 34.29 3kno n VAL 14 CO 0.00 0.00 0.00 0.54 -1.32 0.00 0.00 176.83 176.05 3kno n ARG 15 N 13.73 -1.46 0.00 5.55 5.12 -1.26 -4.57 116.66 133.77 3kno n ARG 15 Ca 0.00 0.25 0.00 0.00 -1.93 0.00 0.00 57.85 56.17 3kno n ARG 15 Cb 0.00 -3.94 0.01 0.00 -1.16 0.00 0.00 32.46 27.37 3kno n ARG 15 CO 0.00 0.00 0.00 0.09 -1.93 0.00 0.00 177.63 175.79 3kno n ASN 16 N 0.98 0.00 0.00 0.55 4.13 -1.26 -4.20 115.26 115.46 3kno n ASN 16 Ca -0.03 -0.84 0.00 0.00 1.68 0.00 0.00 54.58 55.39 3kno n ASN 16 Cb 0.16 0.00 0.00 0.00 -1.54 0.00 0.00 39.78 38.40 3kno n ASN 16 CO 0.00 0.00 0.00 -2.11 0.28 0.00 0.00 177.26 175.43 3kno n ARG 17 N -0.51 1.56 0.00 3.52 1.85 -1.26 -4.82 116.66 117.00 3kno n ARG 17 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 56.85 3kno n ARG 17 Cb 0.00 0.00 0.00 0.00 -1.05 0.00 0.00 32.46 31.41 3kno n ARG 17 CO 0.00 0.00 0.00 -0.89 -0.01 0.00 0.00 177.63 176.73 3kno n ILE 18 N 0.00 0.00 -1.27 8.89 2.08 -1.26 -4.67 119.36 123.13 3kno n ILE 18 Ca 0.00 0.00 -0.27 0.00 0.56 0.00 0.00 62.75 63.04 3kno n ILE 18 Cb 0.00 0.00 -0.09 0.00 -0.75 0.00 0.00 39.64 38.80 3kno n ILE 18 CO 0.00 0.00 0.00 1.17 0.56 0.00 0.00 176.55 178.28 3kno n LYS 19 N 0.00 2.99 -3.99 0.38 4.81 -1.26 -4.82 118.16 116.27 3kno n LYS 19 Ca 0.00 -1.86 -0.32 0.00 -0.87 0.00 0.00 58.31 55.26 3kno n LYS 19 Cb 0.00 -2.40 -0.14 0.00 0.02 0.00 0.00 35.03 32.51 3kno n LYS 19 CO 0.00 0.00 0.00 1.03 1.17 0.00 0.00 177.40 179.60 3kno s ARG 20 N 1.00 1.77 0.00 1.64 1.81 -1.26 -4.84 118.95 119.06 3kno s ARG 20 Ca 0.66 -1.72 0.00 0.00 -1.72 0.00 0.00 55.73 52.95 3kno s ARG 20 Cb 0.26 -3.20 0.00 0.00 -0.45 0.00 0.00 34.95 31.56 3kno s ARG 20 CO -0.06 -0.86 0.00 0.25 -0.68 0.00 0.00 175.30 173.95 3kno n THR 21 N 4.36 0.00 0.61 0.02 -2.24 -1.26 -4.78 114.28 110.99 3kno n THR 21 Ca -0.02 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.76 3kno n THR 21 Cb 0.42 -0.15 0.00 0.00 -2.10 0.00 0.00 70.33 68.50 3kno n THR 21 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3kno n GLY 22 N 1.62 1.00 0.68 3.38 0.00 -1.26 -4.96 105.19 105.64 3kno n GLY 22 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 3kno n GLY 22 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3kno n ARG 23 N 0.32 -0.03 -2.65 1.61 1.74 -1.26 -4.66 116.66 111.74 3kno n ARG 23 Ca 0.00 0.02 -0.05 0.00 -0.77 0.00 0.00 57.85 57.05 3kno n ARG 23 Cb 0.19 -0.52 -0.04 0.00 -1.02 0.00 0.00 32.46 31.07 3kno n ARG 23 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 3kno n LEU 24 N -2.66 -6.29 -4.71 0.55 7.99 -1.26 -3.88 117.00 106.74 3kno n LEU 24 Ca -0.00 2.16 -0.36 0.00 -0.01 0.00 0.00 56.01 57.80 3kno n LEU 24 Cb 0.00 -3.21 -0.08 0.00 -0.11 0.00 0.00 43.42 40.02 3kno n LEU 24 CO 0.00 -3.92 -0.11 -0.13 -1.51 0.00 0.00 177.39 171.72 3kno s ARG 25 N -0.75 4.19 -0.56 3.23 0.52 -1.14 0.21 118.95 124.65 3kno s ARG 25 Ca -0.25 -0.10 -0.03 0.00 -0.52 0.00 0.00 55.73 54.84 3kno s ARG 25 Cb 0.02 -3.45 0.20 0.00 0.52 0.00 0.00 34.95 32.23 3kno s ARG 25 CO 0.76 0.21 2.40 -0.11 0.02 0.00 0.00 175.30 178.58 3kno n LEU 26 N 3.76 6.87 -4.65 2.53 0.00 0.41 -2.69 117.00 123.23 3kno n LEU 26 Ca -0.14 -4.18 -0.53 0.00 0.00 0.00 0.00 56.01 51.16 3kno n LEU 26 Cb 0.52 -1.14 -0.06 0.00 0.00 0.00 0.00 43.42 42.74 3kno n LEU 26 CO 0.38 1.64 1.12 -0.24 0.00 0.00 0.00 177.39 180.29 3kno n SER 27 N 0.26 2.16 -4.90 1.96 2.88 -1.10 -4.24 113.62 110.64 3kno n SER 27 Ca 0.49 1.09 -0.21 0.00 -1.33 0.00 0.00 58.87 58.91 3kno n SER 27 Cb 0.48 -1.20 -0.03 0.00 -0.75 0.00 0.00 64.21 62.71 3kno n SER 27 CO 0.00 0.00 0.00 -0.69 -1.23 0.00 0.00 175.04 173.12 3kno s VAL 28 N 1.91 4.27 -0.39 2.46 1.01 -1.26 -2.64 120.40 125.75 3kno s VAL 28 Ca 0.90 -1.23 0.10 0.00 0.00 0.00 0.00 61.98 61.76 3kno s VAL 28 Cb -0.96 -3.43 0.34 0.00 0.00 0.00 0.00 36.38 32.33 3kno s VAL 28 CO 0.53 -0.25 0.85 0.33 0.00 0.00 0.00 175.10 176.56 3kno n PHE 29 N -1.38 -0.68 -1.64 5.22 7.35 -0.85 -4.52 117.46 120.96 3kno n PHE 29 Ca -0.05 -3.31 -0.43 0.00 -0.76 0.00 0.00 57.45 52.91 3kno n PHE 29 Cb 0.58 0.18 -0.00 0.00 0.35 0.00 0.00 39.48 40.59 3kno n PHE 29 CO 0.00 0.00 0.00 -2.13 -0.76 0.00 0.00 176.76 173.87 3kno n ARG 30 N 0.29 1.66 -3.91 -4.13 3.00 -1.26 -3.14 116.66 109.17 3kno n ARG 30 Ca 0.19 0.59 -0.10 0.00 -0.00 0.00 0.00 57.85 58.53 3kno n ARG 30 Cb 0.68 -2.11 -0.10 0.00 0.00 0.00 0.00 32.46 30.93 3kno n ARG 30 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.63 178.08 3kno s SER 31 N -0.52 0.11 0.23 6.15 0.15 -0.77 -4.93 113.70 114.11 3kno s SER 31 Ca 0.59 -0.34 -0.13 0.00 0.70 0.00 0.00 55.95 56.77 3kno s SER 31 Cb -0.60 0.18 0.29 0.00 -1.71 0.00 0.00 66.02 64.18 3kno s SER 31 CO 0.60 -0.38 1.42 0.18 1.20 0.00 0.00 173.24 176.26 3kno n LEU 32 N 1.35 -0.50 -2.05 3.45 4.77 -1.26 -0.73 117.00 122.03 3kno n LEU 32 Ca -0.22 1.58 -0.16 0.00 -0.03 0.00 0.00 56.01 57.18 3kno n LEU 32 Cb 0.56 -0.40 0.22 0.00 -2.33 0.00 0.00 43.42 41.47 3kno n LEU 32 CO 0.21 -1.46 1.15 0.29 -1.33 0.00 0.00 177.39 176.25 3kno n LYS 33 N -5.39 2.70 -2.56 3.23 4.76 -1.26 -5.01 118.16 114.63 3kno n LYS 33 Ca 0.11 -3.05 0.00 0.00 -2.87 0.00 0.00 58.31 52.50 3kno n LYS 33 Cb 0.40 -2.16 0.00 0.00 -1.84 0.00 0.00 35.03 31.43 3kno n LYS 33 CO 0.00 0.00 0.00 -2.39 -1.37 0.00 0.00 177.40 173.64 3kno n HIS 34 N -0.82 0.00 -3.39 2.13 1.44 0.09 -4.77 115.22 109.90 3kno n HIS 34 Ca 0.51 0.00 0.02 0.00 -2.01 0.00 0.00 57.72 56.24 3kno n HIS 34 Cb 1.52 0.00 -0.05 0.00 0.12 0.00 0.00 29.99 31.58 3kno n HIS 34 CO 0.00 0.00 0.00 -1.50 -2.81 0.00 0.00 176.34 172.03 3kno s ILE 35 N -3.24 -0.11 0.33 0.61 2.07 -1.26 -1.85 121.20 117.75 3kno s ILE 35 Ca 0.00 0.00 0.08 0.00 -1.41 0.00 0.00 60.65 59.32 3kno s ILE 35 Cb 0.00 -1.00 -0.04 0.00 0.13 0.00 0.00 42.46 41.55 3kno s ILE 35 CO 0.00 0.00 0.18 -0.31 -1.91 0.00 0.00 174.94 172.90 3kno s TYR 36 N 1.77 2.77 -0.22 3.50 2.02 -1.19 -1.22 117.35 124.78 3kno s TYR 36 Ca -0.03 -0.35 -0.20 0.00 -0.37 0.00 0.00 57.07 56.12 3kno s TYR 36 Cb -0.02 -1.67 0.06 0.00 -0.40 0.00 0.00 41.96 39.93 3kno s TYR 36 CO -0.14 0.31 0.58 0.00 -1.57 0.00 0.00 175.55 174.72 3kno s ALA 37 N -2.38 -1.44 0.01 3.71 0.00 -0.40 -2.00 121.76 119.27 3kno s ALA 37 Ca 0.38 1.66 -0.01 0.00 0.00 0.00 0.00 51.96 53.99 3kno s ALA 37 Cb -0.04 -0.97 -0.01 0.00 0.00 0.00 0.00 23.12 22.11 3kno s ALA 37 CO 0.24 -0.28 -0.01 -0.65 0.00 0.00 0.00 175.76 175.06 3kno s GLN 38 N 0.37 0.26 -0.61 0.00 -0.21 -1.08 -1.93 119.66 116.45 3kno s GLN 38 Ca -0.01 -0.45 -0.01 0.00 0.02 0.00 0.00 55.36 54.91 3kno s GLN 38 Cb -0.04 0.09 0.16 0.00 1.00 0.00 0.00 33.01 34.22 3kno s GLN 38 CO -0.00 -0.04 0.41 0.42 -2.12 0.00 0.00 175.29 173.95 3kno s ILE 39 N -1.12 3.48 0.30 1.08 -1.09 -1.10 -2.71 121.20 120.05 3kno s ILE 39 Ca -0.12 -3.07 -0.01 0.00 -2.23 0.00 0.00 60.65 55.22 3kno s ILE 39 Cb -0.08 -3.29 -0.04 0.00 -1.58 0.00 0.00 42.46 37.47 3kno s ILE 39 CO -0.01 -0.87 0.52 0.27 -1.23 0.00 0.00 174.94 173.62 3kno s ILE 40 N -0.15 5.11 -0.63 2.92 -4.36 -1.10 -0.31 121.20 122.68 3kno s ILE 40 Ca 0.17 -0.31 0.05 0.00 -0.26 0.00 0.00 60.65 60.30 3kno s ILE 40 Cb -0.21 -3.80 0.15 0.00 1.25 0.00 0.00 42.46 39.85 3kno s ILE 40 CO -0.03 -0.41 0.41 -0.62 0.24 0.00 0.00 174.94 174.52 3kno s ASP 41 N -3.62 4.60 0.97 4.36 2.15 0.18 -2.90 116.67 122.41 3kno s ASP 41 Ca 0.41 -3.54 -0.11 0.00 0.43 0.00 0.00 52.55 49.74 3kno s ASP 41 Cb -0.10 -1.62 0.18 0.00 -0.30 0.00 0.00 42.92 41.07 3kno s ASP 41 CO 0.33 -0.14 1.11 -1.81 -0.17 0.00 0.00 175.17 174.49 3kno s ASP 42 N -1.01 2.53 0.00 -0.34 1.11 -1.26 -1.82 116.67 115.87 3kno s ASP 42 Ca 0.22 1.96 0.00 0.00 0.18 0.00 0.00 52.55 54.91 3kno s ASP 42 Cb -0.12 -2.48 0.00 0.00 1.07 0.00 0.00 42.92 41.39 3kno s ASP 42 CO -0.10 -3.31 0.00 -0.62 1.18 0.00 0.00 175.17 172.32 3kno n GLU 43 N -4.36 0.00 0.00 8.23 -0.58 -1.26 -4.56 120.64 118.11 3kno n GLU 43 Ca 0.09 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.83 3kno n GLU 43 Cb 0.53 -1.50 0.00 0.00 -0.57 0.00 0.00 31.44 29.90 3kno n GLU 43 CO 0.00 0.00 0.00 1.17 -0.48 0.00 0.00 177.13 177.82 3kno n LYS 44 N -2.00 0.00 -0.46 3.49 3.00 -1.02 -5.07 118.16 116.10 3kno n LYS 44 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.31 3kno n LYS 44 Cb 0.00 -0.46 0.00 0.00 0.00 0.00 0.00 35.03 34.57 3kno n LYS 44 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 3kno n GLY 45 N 1.53 0.77 3.47 3.14 0.00 -0.76 -5.08 105.19 108.26 3kno n GLY 45 Ca 0.00 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.75 3kno n GLY 45 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3kno s VAL 46 N -2.08 2.64 0.27 1.61 1.01 -1.24 -4.96 120.40 117.65 3kno s VAL 46 Ca 0.00 -1.89 -0.08 0.00 0.00 0.00 0.00 61.98 60.01 3kno s VAL 46 Cb 0.00 -2.28 -0.06 0.00 0.00 0.00 0.00 36.38 34.04 3kno s VAL 46 CO 0.00 -0.10 0.58 -0.89 0.00 0.00 0.00 175.10 174.68 3kno s THR 47 N -1.66 4.95 0.00 3.92 2.01 -1.26 -0.64 115.64 122.96 3kno s THR 47 Ca 0.22 0.33 0.00 0.00 0.31 0.00 0.00 61.69 62.55 3kno s THR 47 Cb -0.08 -3.67 0.00 0.00 0.01 0.00 0.00 72.50 68.75 3kno s THR 47 CO 0.12 -0.22 0.00 0.18 -0.69 0.00 0.00 174.62 174.01 3kno n LEU 48 N -0.57 0.00 -4.65 4.42 4.32 0.58 -4.90 117.00 116.19 3kno n LEU 48 Ca -0.00 0.00 -0.30 0.00 -0.02 0.00 0.00 56.01 55.69 3kno n LEU 48 Cb 0.53 0.00 0.17 0.00 -1.62 0.00 0.00 43.42 42.51 3kno n LEU 48 CO 0.46 0.00 0.65 -0.69 -1.22 0.00 0.00 177.39 176.59 3kno s VAL 49 N 1.56 2.25 -0.29 4.08 1.01 -1.25 -4.87 120.40 122.89 3kno s VAL 49 Ca 0.00 0.08 -0.18 0.00 0.00 0.00 0.00 61.98 61.88 3kno s VAL 49 Cb 0.00 -2.20 0.13 0.00 0.00 0.00 0.00 36.38 34.31 3kno s VAL 49 CO 0.00 -0.11 0.95 -0.94 0.00 0.00 0.00 175.10 175.00 3kno s SER 50 N -2.78 -0.55 -0.09 3.32 1.04 -1.26 -2.69 113.70 110.68 3kno s SER 50 Ca 0.66 0.91 -0.04 0.00 0.48 0.00 0.00 55.95 57.96 3kno s SER 50 Cb -0.22 1.17 0.04 0.00 0.10 0.00 0.00 66.02 67.11 3kno s SER 50 CO 0.59 -0.15 0.21 0.00 0.98 0.00 0.00 173.24 174.87 3kno s ALA 51 N 1.16 -0.45 0.03 5.32 0.00 -0.81 -4.90 121.76 122.12 3kno s ALA 51 Ca -0.07 0.86 0.08 0.00 0.00 0.00 0.00 51.96 52.83 3kno s ALA 51 Cb -0.04 -0.56 -0.03 0.00 0.00 0.00 0.00 23.12 22.49 3kno s ALA 51 CO -0.14 -0.18 -0.20 0.45 0.00 0.00 0.00 175.76 175.69 3kno s SER 52 N 1.18 3.61 0.00 0.00 0.15 -1.26 -1.27 113.70 116.12 3kno s SER 52 Ca -0.09 -0.46 0.00 0.00 0.70 0.00 0.00 55.95 56.10 3kno s SER 52 Cb -0.10 -0.53 0.00 0.00 -1.71 0.00 0.00 66.02 63.68 3kno s SER 52 CO -0.07 0.26 0.11 -0.24 1.20 0.00 0.00 173.24 174.51 3kno n SER 53 N 1.68 0.00 -0.28 5.45 2.88 -0.36 -3.26 113.62 119.74 3kno n SER 53 Ca -0.16 0.11 0.34 0.00 -1.33 0.00 0.00 58.87 57.83 3kno n SER 53 Cb 0.52 0.00 0.73 0.00 -0.75 0.00 0.00 64.21 64.71 3kno n SER 53 CO 0.00 0.00 0.00 -0.07 -1.23 0.00 0.00 175.04 173.74 3kno h LEU 54 N 0.00 0.00 0.00 2.46 -0.00 -1.80 1.24 115.31 117.21 3kno h LEU 54 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.88 3kno h LEU 54 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 40.66 3kno h LEU 54 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 178.44 178.44 3kno n ALA 55 N -2.68 2.26 -2.28 1.53 0.00 -1.25 -2.64 120.51 115.44 3kno n ALA 55 Ca 0.24 -0.13 0.02 0.00 0.00 0.00 0.00 53.44 53.58 3kno n ALA 55 Cb 1.23 -1.34 0.07 0.00 0.00 0.00 0.00 19.45 19.42 3kno n ALA 55 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 3kno n LEU 56 N -1.02 1.74 0.00 0.00 0.00 0.43 -4.95 117.00 113.20 3kno n LEU 56 Ca 0.15 -2.78 0.00 0.00 0.00 0.00 0.00 56.01 53.38 3kno n LEU 56 Cb 0.08 -0.10 0.00 0.00 0.00 0.00 0.00 43.42 43.40 3kno n LEU 56 CO 0.12 0.90 0.00 0.29 0.00 0.00 0.00 177.39 178.70 3kno n LYS 57 N -0.13 0.00 -1.71 1.96 5.02 -1.08 -5.00 118.16 117.21 3kno n LYS 57 Ca 0.12 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.41 3kno n LYS 57 Cb 0.98 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.99 3kno n LYS 57 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 3kno n LEU 58 N 0.00 -3.38 0.00 -0.35 4.32 -1.26 -4.48 117.00 111.84 3kno n LEU 58 Ca 0.00 2.81 0.00 0.00 -0.02 0.00 0.00 56.01 58.80 3kno n LEU 58 Cb 0.00 -3.00 0.00 0.00 -1.62 0.00 0.00 43.42 38.80 3kno n LEU 58 CO 0.00 -0.00 0.00 0.29 -1.22 0.00 0.00 177.39 176.46 3kno n LYS 59 N -0.29 0.00 -0.05 3.23 5.02 -1.26 -4.94 118.16 119.87 3kno n LYS 59 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.29 3kno n LYS 59 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.01 3kno n LYS 59 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3kno n GLY 60 N 0.00 0.43 2.03 0.72 0.00 -1.26 -4.99 105.19 102.12 3kno n GLY 60 Ca 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.80 3kno n GLY 60 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 3kno n ASN 61 N 0.00 4.65 0.00 1.61 2.85 -1.26 -4.94 115.26 118.17 3kno n ASN 61 Ca 0.00 -3.35 0.00 0.00 -0.11 0.00 0.00 54.58 51.12 3kno n ASN 61 Cb 0.21 -0.84 0.00 0.00 1.24 0.00 0.00 39.78 40.39 3kno n ASN 61 CO 0.00 0.00 0.00 0.29 -2.11 0.00 0.00 177.26 175.44 3kno n LYS 62 N -0.70 0.00 0.05 1.20 5.02 -1.26 -2.85 118.16 119.62 3kno n LYS 62 Ca 0.48 0.00 -0.02 0.00 -2.02 0.00 0.00 58.31 56.75 3kno n LYS 62 Cb 1.20 0.00 -0.01 0.00 -0.02 0.00 0.00 35.03 36.20 3kno n LYS 62 CO 0.00 0.00 0.00 1.79 -0.52 0.00 0.00 177.40 178.67 3kno h THR 63 N 0.00 0.00 0.00 -0.18 1.35 -1.95 -2.05 112.91 110.08 3kno h THR 63 Ca 0.00 -0.10 0.00 0.00 -0.55 0.00 0.00 66.41 65.76 3kno h THR 63 Cb 0.00 0.00 0.00 0.00 -1.73 0.00 0.00 68.15 66.42 3kno h THR 63 CO 0.00 0.00 0.14 -1.84 -0.25 0.00 0.00 175.52 173.57 3kno n GLU 64 N -2.65 0.11 -0.00 4.72 0.28 -1.13 -0.76 120.64 121.21 3kno n GLU 64 Ca -0.02 0.59 -0.17 0.00 -0.16 0.00 0.00 57.16 57.40 3kno n GLU 64 Cb 0.06 -1.99 -0.11 0.00 1.43 0.00 0.00 31.44 30.83 3kno n GLU 64 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 177.13 177.25 3kno h VAL 65 N 0.00 1.42 -0.82 3.84 2.07 -1.69 -3.24 116.25 117.83 3kno h VAL 65 Ca 0.00 -2.03 -0.03 0.00 0.82 0.00 0.00 66.70 65.46 3kno h VAL 65 Cb 0.28 2.52 -0.04 0.00 -1.52 0.00 0.00 31.29 32.53 3kno h VAL 65 CO 0.00 0.59 0.39 0.00 0.02 0.00 0.00 177.57 178.57 3kno h ALA 66 N 0.35 1.06 -0.43 1.67 0.00 -0.20 -0.19 119.26 121.51 3kno h ALA 66 Ca -0.07 -0.16 0.07 0.00 0.00 0.00 0.00 54.91 54.75 3kno h ALA 66 Cb 1.28 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 18.72 3kno h ALA 66 CO 0.11 0.63 0.29 0.00 0.00 0.00 0.00 179.25 180.28 3kno h ARG 67 N 1.16 0.27 0.08 0.00 3.08 -1.61 0.22 114.38 117.58 3kno h ARG 67 Ca 0.28 -0.02 -0.00 0.00 0.07 0.00 0.00 59.98 60.31 3kno h ARG 67 Cb 0.13 -0.06 0.00 0.00 0.08 0.00 0.00 29.97 30.12 3kno h ARG 67 CO -0.03 0.18 -0.04 1.96 -1.07 0.00 0.00 179.97 180.96 3kno h GLN 68 N 0.28 -0.11 -0.15 0.04 4.20 -1.24 -2.55 115.11 115.58 3kno h GLN 68 Ca 0.19 0.01 0.04 0.00 0.06 0.00 0.00 58.65 58.95 3kno h GLN 68 Cb 0.41 0.02 -0.01 0.00 0.30 0.00 0.00 27.48 28.20 3kno h GLN 68 CO -0.04 0.44 0.17 -0.24 -0.67 0.00 0.00 178.83 178.50 3kno h VAL 69 N -0.82 0.46 0.26 -0.54 3.04 -0.31 -1.83 116.25 116.51 3kno h VAL 69 Ca -0.01 0.00 -0.01 0.00 -1.01 0.00 0.00 66.70 65.67 3kno h VAL 69 Cb 0.60 0.86 0.00 0.00 -2.01 0.00 0.00 31.29 30.74 3kno h VAL 69 CO 0.02 0.00 -0.13 1.23 -1.01 0.00 0.00 177.57 177.68 3kno h GLY 70 N 0.00 -0.36 -1.67 3.17 0.00 -0.59 -2.57 103.07 101.04 3kno h GLY 70 Ca 0.07 0.14 0.53 0.00 0.00 0.00 0.00 47.33 48.07 3kno h GLY 70 CO -0.00 -0.13 1.24 3.21 0.00 0.00 0.00 176.54 180.85 3kno h ARG 71 N -0.97 0.01 0.03 4.80 3.08 -0.93 1.75 114.38 122.16 3kno h ARG 71 Ca -0.04 -0.00 -0.00 0.00 0.07 0.00 0.00 59.98 60.01 3kno h ARG 71 Cb 0.27 -0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.32 3kno h ARG 71 CO 0.06 0.01 -0.02 0.00 -1.07 0.00 0.00 179.97 178.95 3kno h ALA 72 N 1.20 -0.04 0.00 0.04 0.00 -1.36 0.12 119.26 119.21 3kno h ALA 72 Ca 0.90 -0.30 -0.01 0.00 0.00 0.00 0.00 54.91 55.49 3kno h ALA 72 Cb 3.40 0.02 -0.00 0.00 0.00 0.00 0.00 17.79 21.20 3kno h ALA 72 CO -0.13 -0.20 -0.04 1.25 0.00 0.00 0.00 179.25 180.12 3kno h LEU 73 N -0.69 0.00 0.40 0.00 6.46 0.26 0.41 115.31 122.15 3kno h LEU 73 Ca -0.00 0.00 -0.02 0.00 -0.12 0.00 0.00 57.88 57.74 3kno h LEU 73 Cb 0.62 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 40.56 3kno h LEU 73 CO 0.01 0.04 -0.19 0.00 -0.62 0.00 0.00 178.44 177.68 3kno h ALA 74 N 1.96 -0.74 0.58 1.25 0.00 0.10 -1.59 119.26 120.83 3kno h ALA 74 Ca -0.00 -0.12 -0.02 0.00 0.00 0.00 0.00 54.91 54.77 3kno h ALA 74 Cb 0.12 0.21 -0.02 0.00 0.00 0.00 0.00 17.79 18.10 3kno h ALA 74 CO 0.01 -0.70 -0.48 0.93 0.00 0.00 0.00 179.25 179.00 3kno h GLU 75 N -0.80 -1.01 -0.38 0.00 5.08 -0.32 -1.11 114.58 116.04 3kno h GLU 75 Ca -0.05 0.07 0.11 0.00 -1.00 0.00 0.00 59.36 58.48 3kno h GLU 75 Cb 0.41 0.23 -0.02 0.00 0.50 0.00 0.00 28.75 29.87 3kno h GLU 75 CO 0.09 -0.67 0.72 0.87 -1.00 0.00 0.00 179.01 179.02 3kno h LYS 76 N -1.05 0.00 0.00 2.33 1.57 -0.31 -3.03 116.57 116.09 3kno h LYS 76 Ca -0.07 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.71 3kno h LYS 76 Cb 0.88 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.19 3kno h LYS 76 CO -0.01 0.00 0.00 0.00 -0.57 0.00 0.00 179.45 178.87 3kno n ALA 77 N -2.03 -0.01 -0.50 3.86 0.00 -0.45 -4.15 120.51 117.23 3kno n ALA 77 Ca 0.07 0.00 0.41 0.00 0.00 0.00 0.00 53.44 53.92 3kno n ALA 77 Cb 0.86 0.00 0.70 0.00 0.00 0.00 0.00 19.45 21.01 3kno n ALA 77 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 3kno h LEU 78 N 0.00 0.17 -0.42 0.00 3.38 -1.38 -2.07 115.31 114.99 3kno h LEU 78 Ca 0.00 0.10 0.04 0.00 0.09 0.00 0.00 57.88 58.11 3kno h LEU 78 Cb 0.00 0.09 -0.06 0.00 0.09 0.00 0.00 40.66 40.78 3kno h LEU 78 CO 0.00 -0.13 -0.31 0.00 0.09 0.00 0.00 178.44 178.09 3kno h ALA 79 N 1.45 -0.40 -0.55 1.53 0.00 -1.69 0.36 119.26 119.97 3kno h ALA 79 Ca 0.83 0.04 0.05 0.00 0.00 0.00 0.00 54.91 55.83 3kno h ALA 79 Cb 2.84 1.10 -0.05 0.00 0.00 0.00 0.00 17.79 21.69 3kno h ALA 79 CO -0.30 -0.59 0.28 -0.07 0.00 0.00 0.00 179.25 178.57 3kno h LEU 80 N -0.08 0.40 0.00 0.00 4.07 -1.56 -3.46 115.31 114.68 3kno h LEU 80 Ca 0.07 0.03 0.00 0.00 0.08 0.00 0.00 57.88 58.06 3kno h LEU 80 Cb 0.26 -0.05 0.00 0.00 1.08 0.00 0.00 40.66 41.95 3kno h LEU 80 CO -0.44 0.27 0.00 0.61 -1.08 0.00 0.00 178.44 177.80 3kno n GLY 81 N -1.26 0.60 3.40 0.83 0.00 0.13 -5.18 105.19 103.71 3kno n GLY 81 Ca 0.05 -0.27 -0.25 0.00 0.00 0.00 0.00 46.02 45.55 3kno n GLY 81 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 3kno n ILE 82 N 0.00 0.00 0.00 -0.61 2.08 -1.22 -4.96 119.36 114.65 3kno n ILE 82 Ca 0.00 -2.43 0.00 0.00 0.56 0.00 0.00 62.75 60.88 3kno n ILE 82 Cb 0.00 0.89 0.00 0.00 -0.75 0.00 0.00 39.64 39.78 3kno n ILE 82 CO 0.00 0.00 0.00 1.17 0.56 0.00 0.00 176.55 178.28 3kno n LYS 83 N -0.91 0.00 -4.07 0.38 4.81 -1.26 -4.59 118.16 112.52 3kno n LYS 83 Ca -0.05 0.00 -0.32 0.00 -0.87 0.00 0.00 58.31 57.07 3kno n LYS 83 Cb 0.62 0.00 -0.16 0.00 0.02 0.00 0.00 35.03 35.51 3kno n LYS 83 CO 0.00 0.00 0.00 -1.14 1.17 0.00 0.00 177.40 177.43 3kno s GLN 84 N 0.00 2.58 0.30 1.64 2.00 -1.26 0.16 119.66 125.08 3kno s GLN 84 Ca 0.00 -0.76 -0.03 0.00 -2.00 0.00 0.00 55.36 52.57 3kno s GLN 84 Cb 0.00 -2.40 0.01 0.00 0.80 0.00 0.00 33.01 31.42 3kno s GLN 84 CO 0.00 -0.26 0.45 1.33 -0.50 0.00 0.00 175.29 176.30 3kno n VAL 85 N 4.67 0.00 -4.80 1.34 0.24 -1.26 -4.73 118.33 113.79 3kno n VAL 85 Ca -0.18 -1.44 -0.25 0.00 -2.04 0.00 0.00 64.34 60.43 3kno n VAL 85 Cb 0.49 0.92 -0.16 0.00 -1.47 0.00 0.00 33.84 33.63 3kno n VAL 85 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3kno s ALA 86 N -2.52 1.43 0.00 2.33 0.00 0.57 -4.43 121.76 119.14 3kno s ALA 86 Ca 0.23 -0.70 0.00 0.00 0.00 0.00 0.00 51.96 51.50 3kno s ALA 86 Cb -0.01 -0.41 0.00 0.00 0.00 0.00 0.00 23.12 22.69 3kno s ALA 86 CO 0.17 0.31 0.00 0.34 0.00 0.00 0.00 175.76 176.58 3kno n PHE 87 N 2.88 0.00 0.00 0.00 7.35 -1.26 0.16 117.46 126.58 3kno n PHE 87 Ca -0.16 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.53 3kno n PHE 87 Cb 0.54 0.00 0.00 0.00 0.35 0.00 0.00 39.48 40.37 3kno n PHE 87 CO 0.00 0.00 0.00 -3.47 -0.76 0.00 0.00 176.76 172.53 3kno n ASP 88 N 0.00 0.00 -1.48 -2.13 4.64 -1.26 -2.93 116.55 113.39 3kno n ASP 88 Ca 0.00 0.00 0.00 0.00 -1.38 0.00 0.00 54.79 53.41 3kno n ASP 88 Cb 0.00 0.00 0.00 0.00 -1.04 0.00 0.00 41.12 40.08 3kno n ASP 88 CO 0.00 0.00 0.00 0.54 -0.82 0.00 0.00 177.20 176.92 3kno n ARG 89 N 0.00 -1.96 0.00 -0.67 5.12 -1.26 -4.73 116.66 113.16 3kno n ARG 89 Ca 0.00 1.73 0.00 0.00 -1.93 0.00 0.00 57.85 57.65 3kno n ARG 89 Cb 0.00 -2.06 0.00 0.00 -1.16 0.00 0.00 32.46 29.24 3kno n ARG 89 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 3kno n GLY 90 N 0.69 -3.00 0.00 -0.13 0.00 -1.26 -2.90 105.19 98.59 3kno n GLY 90 Ca 0.00 0.19 0.13 0.00 0.00 0.00 0.00 46.02 46.34 3kno n GLY 90 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 3kno n PRO 91 N -1.08 0.49 0.00 1.61 -0.02 -1.26 -4.32 135.00 130.43 3kno n PRO 91 Ca 0.00 0.02 0.00 0.00 -2.02 0.00 0.00 63.50 61.50 3kno n PRO 91 Cb 0.00 -1.50 0.00 0.00 -0.02 0.00 0.00 33.50 31.98 3kno n PRO 91 CO 0.00 0.00 0.00 2.48 1.98 0.00 0.00 175.50 179.96 3kno n TYR 92 N -1.22 0.00 -1.82 6.00 4.11 -1.14 -4.74 117.16 118.35 3kno n TYR 92 Ca 0.15 0.00 -0.15 0.00 -0.00 0.00 0.00 57.90 57.90 3kno n TYR 92 Cb 0.19 0.00 -0.04 0.00 -0.00 0.00 0.00 39.34 39.49 3kno n TYR 92 CO 0.00 0.00 0.00 1.17 -0.00 0.00 0.00 176.86 178.03 3kno n LYS 93 N 0.00 -1.11 -0.52 -3.48 3.00 -1.26 -4.26 118.16 110.53 3kno n LYS 93 Ca 0.00 0.89 0.00 0.00 -0.00 0.00 0.00 58.31 59.20 3kno n LYS 93 Cb 0.00 -5.12 0.00 0.00 0.00 0.00 0.00 35.03 29.91 3kno n LYS 93 CO 0.00 0.00 0.00 0.98 0.00 0.00 0.00 177.40 178.38 3kno n TYR 94 N -3.22 0.00 -3.18 5.64 9.36 -1.26 -4.87 117.16 119.63 3kno n TYR 94 Ca -0.16 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.06 3kno n TYR 94 Cb 0.56 0.00 0.00 0.00 -0.63 0.00 0.00 39.34 39.27 3kno n TYR 94 CO 0.00 0.00 0.00 1.58 0.22 0.00 0.00 176.86 178.66 3kno n HIS 95 N 0.14 -0.48 0.00 2.98 -0.00 -1.26 -5.04 115.22 111.56 3kno n HIS 95 Ca 0.00 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.18 3kno n HIS 95 Cb 0.00 0.00 0.00 0.00 -0.12 0.00 0.00 29.99 29.87 3kno n HIS 95 CO 0.00 0.00 0.00 0.41 0.46 0.00 0.00 176.34 177.21 3kno n GLY 96 N 0.00 0.20 0.75 1.57 0.00 -1.26 -1.49 105.19 104.96 3kno n GLY 96 Ca 0.00 0.12 0.00 0.00 0.00 0.00 0.00 46.02 46.14 3kno n GLY 96 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 3kno n ARG 97 N 0.00 0.00 -1.70 1.61 -4.01 -1.26 -4.81 116.66 106.49 3kno n ARG 97 Ca 0.00 0.00 -0.53 0.00 -1.04 0.00 0.00 57.85 56.28 3kno n ARG 97 Cb 0.00 -0.93 -0.06 0.00 -3.04 0.00 0.00 32.46 28.43 3kno n ARG 97 CO 0.00 0.00 0.00 1.33 -3.04 0.00 0.00 177.63 175.92 3kno n VAL 98 N 0.50 0.44 -1.56 8.89 0.24 -0.55 -4.78 118.33 121.51 3kno n VAL 98 Ca 0.00 -0.08 -0.39 0.00 -2.04 0.00 0.00 64.34 61.82 3kno n VAL 98 Cb 0.00 -1.54 -0.02 0.00 -1.47 0.00 0.00 33.84 30.81 3kno n VAL 98 CO 0.00 0.00 0.00 0.29 -2.14 0.00 0.00 176.83 174.98 3kno n LYS 99 N 6.05 3.98 -0.76 7.34 5.02 -1.26 -4.54 118.16 133.99 3kno n LYS 99 Ca 0.25 -2.64 -0.21 0.00 -2.02 0.00 0.00 58.31 53.69 3kno n LYS 99 Cb 0.21 -2.76 -0.03 0.00 -0.02 0.00 0.00 35.03 32.43 3kno n LYS 99 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3kno n ALA 100 N 3.04 4.85 -2.34 7.82 0.00 -1.26 -4.88 120.51 127.75 3kno n ALA 100 Ca 0.72 -1.96 -0.28 0.00 0.00 0.00 0.00 53.44 51.92 3kno n ALA 100 Cb 0.24 -2.91 -0.01 0.00 0.00 0.00 0.00 19.45 16.77 3kno n ALA 100 CO 0.00 0.00 0.00 -0.48 0.00 0.00 0.00 177.50 177.02 3kno s LEU 101 N 0.09 3.79 0.00 0.00 -0.00 -1.26 -4.87 118.68 116.42 3kno s LEU 101 Ca 0.42 0.88 0.00 0.00 -0.00 0.00 0.00 54.13 55.43 3kno s LEU 101 Cb 0.12 -3.79 0.00 0.00 -0.00 0.00 0.00 46.19 42.52 3kno s LEU 101 CO -0.03 -0.45 0.00 0.00 -0.00 0.00 0.00 176.35 175.87 3kno n ALA 102 N -1.78 0.00 0.00 1.48 0.00 -1.26 -4.65 120.51 114.30 3kno n ALA 102 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 3kno n ALA 102 Cb 0.55 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.00 3kno n ALA 102 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 3kno n GLU 103 N 0.00 0.00 0.00 0.00 -0.58 -1.26 -4.84 120.64 113.96 3kno n GLU 103 Ca 0.00 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.74 3kno n GLU 103 Cb 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 31.44 30.87 3kno n GLU 103 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3kno n GLY 104 N 0.00 0.00 0.81 0.62 0.00 -1.26 -4.57 105.19 100.79 3kno n GLY 104 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 3kno n GLY 104 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kno n ALA 105 N 0.89 1.84 1.24 4.61 0.00 0.41 -3.49 120.51 126.01 3kno n ALA 105 Ca 0.00 0.00 0.11 0.00 0.00 0.00 0.00 53.44 53.55 3kno n ALA 105 Cb 0.00 -1.00 0.62 0.00 0.00 0.00 0.00 19.45 19.07 3kno n ALA 105 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 3kno n ARG 106 N 0.59 0.52 -1.09 0.00 0.00 -1.22 -4.77 116.66 110.70 3kno n ARG 106 Ca 0.00 0.04 0.14 0.00 -0.00 0.00 0.00 57.85 58.03 3kno n ARG 106 Cb 0.18 -1.50 -0.04 0.00 0.00 0.00 0.00 32.46 31.10 3kno n ARG 106 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.63 175.72 3kno n GLU 107 N -1.13 -2.17 0.00 -0.14 4.07 -1.23 -4.74 120.64 115.29 3kno n GLU 107 Ca 0.14 1.47 0.00 0.00 -0.06 0.00 0.00 57.16 58.71 3kno n GLU 107 Cb 0.12 -2.66 0.00 0.00 -0.06 0.00 0.00 31.44 28.84 3kno n GLU 107 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 3kno n GLY 108 N -3.33 3.10 0.00 8.31 0.00 -1.26 -4.88 105.19 107.13 3kno n GLY 108 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 3kno n GLY 108 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93