#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kno s HIS 3 N 0.00 3.56 -0.35 0.00 4.02 -1.26 -5.08 115.29 116.19 3kno s HIS 3 Ca 0.00 0.51 0.04 0.00 1.02 0.00 0.00 55.06 56.62 3kno s HIS 3 Cb 0.00 -2.01 0.10 0.00 -1.02 0.00 0.00 32.58 29.65 3kno s HIS 3 CO 0.00 0.62 0.07 0.21 1.02 0.00 0.00 174.74 176.66 3kno s LYS 4 N -0.69 1.44 0.12 1.40 2.20 -1.26 -5.10 119.74 117.85 3kno s LYS 4 Ca 0.14 -1.85 -0.31 0.00 -0.36 0.00 0.00 55.97 53.59 3kno s LYS 4 Cb -0.12 -3.10 -0.09 0.00 -1.51 0.00 0.00 37.83 33.00 3kno s LYS 4 CO 0.03 -0.95 1.64 0.15 -0.36 0.00 0.00 175.35 175.86 3kno s LYS 5 N 0.89 4.19 0.68 4.03 1.02 -1.26 -4.96 119.74 124.34 3kno s LYS 5 Ca 0.11 2.39 -0.17 0.00 0.02 0.00 0.00 55.97 58.32 3kno s LYS 5 Cb -0.19 -3.39 -0.07 0.00 -0.52 0.00 0.00 37.83 33.66 3kno s LYS 5 CO -0.09 -0.70 0.37 0.41 -0.92 0.00 0.00 175.35 174.42 3kno n GLY 6 N 3.92 -1.91 3.41 -3.33 0.00 -1.26 -5.04 105.19 100.98 3kno n GLY 6 Ca 0.15 -0.33 -0.21 0.00 0.00 0.00 0.00 46.02 45.63 3kno n GLY 6 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3kno s LEU 7 N 1.12 2.49 0.00 0.99 1.43 -1.26 -5.17 118.68 118.28 3kno s LEU 7 Ca 0.64 -1.16 0.00 0.00 -1.03 0.00 0.00 54.13 52.58 3kno s LEU 7 Cb -0.38 -0.64 0.00 0.00 0.03 0.00 0.00 46.19 45.20 3kno s LEU 7 CO 0.60 -0.31 0.00 0.61 0.23 0.00 0.00 176.35 177.48 3kno n GLY 8 N -0.54 1.27 1.13 -3.19 0.00 -1.26 -5.15 105.19 97.45 3kno n GLY 8 Ca -0.06 -2.02 -0.08 0.00 0.00 0.00 0.00 46.02 43.86 3kno n GLY 8 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 3kno n SER 9 N -2.60 1.68 -3.96 1.61 2.88 -1.26 -5.17 113.62 106.80 3kno n SER 9 Ca 0.00 -1.59 -0.19 0.00 -1.33 0.00 0.00 58.87 55.76 3kno n SER 9 Cb 0.00 0.01 -0.09 0.00 -0.75 0.00 0.00 64.21 63.38 3kno n SER 9 CO 0.00 0.00 0.00 -0.89 -1.23 0.00 0.00 175.04 172.92 3kno s THR 10 N -0.94 0.33 0.00 2.46 2.01 -1.26 -5.06 115.64 113.18 3kno s THR 10 Ca 0.08 -2.00 0.00 0.00 0.31 0.00 0.00 61.69 60.08 3kno s THR 10 Cb -0.01 -2.50 0.00 0.00 0.01 0.00 0.00 72.50 70.00 3kno s THR 10 CO 0.05 0.00 0.41 0.54 -0.69 0.00 0.00 174.62 174.93 3kno n ARG 11 N -0.61 0.00 0.00 4.92 1.74 -1.26 -5.08 116.66 116.37 3kno n ARG 11 Ca 0.01 -0.41 0.00 0.00 -0.77 0.00 0.00 57.85 56.68 3kno n ARG 11 Cb 0.65 -0.42 0.00 0.00 -1.02 0.00 0.00 32.46 31.67 3kno n ARG 11 CO 0.00 0.00 0.00 0.09 -1.52 0.00 0.00 177.63 176.20 3kno n ASN 12 N 0.00 0.00 -3.35 0.55 5.03 -1.26 -4.97 115.26 111.26 3kno n ASN 12 Ca 0.00 0.00 -0.24 0.00 0.87 0.00 0.00 54.58 55.21 3kno n ASN 12 Cb 0.49 0.00 0.02 0.00 -1.02 0.00 0.00 39.78 39.28 3kno n ASN 12 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 3kno n GLY 13 N 5.00 0.12 3.58 7.41 0.00 -1.26 -5.00 105.19 115.05 3kno n GLY 13 Ca 0.00 0.70 -0.13 0.00 0.00 0.00 0.00 46.02 46.59 3kno n GLY 13 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 3kno s ARG 14 N -1.85 0.75 0.10 1.61 3.52 -1.26 -5.18 118.95 116.64 3kno s ARG 14 Ca 0.23 0.43 -0.16 0.00 -0.13 0.00 0.00 55.73 56.10 3kno s ARG 14 Cb -0.02 0.36 0.06 0.00 -1.56 0.00 0.00 34.95 33.78 3kno s ARG 14 CO 0.53 -0.18 0.78 -3.47 -0.81 0.00 0.00 175.30 172.14 3kno n ASP 15 N 1.46 -1.17 -4.24 -2.12 -0.08 -1.26 -5.18 116.55 103.95 3kno n ASP 15 Ca -0.14 -1.56 -0.19 0.00 -1.51 0.00 0.00 54.79 51.39 3kno n ASP 15 Cb 0.57 1.89 -0.11 0.00 2.34 0.00 0.00 41.12 45.81 3kno n ASP 15 CO 0.00 0.00 0.00 -0.44 0.12 0.00 0.00 177.20 176.88 3kno s SER 16 N -2.81 2.05 -0.31 1.67 0.01 -1.26 -5.08 113.70 107.97 3kno s SER 16 Ca 0.18 -0.76 -0.30 0.00 1.31 0.00 0.00 55.95 56.37 3kno s SER 16 Cb -0.02 -0.08 -0.08 0.00 0.21 0.00 0.00 66.02 66.05 3kno s SER 16 CO 0.03 -0.10 2.25 0.00 0.41 0.00 0.00 173.24 175.83 3kno n GLN 17 N 0.72 1.51 -1.61 12.44 10.64 -1.26 -4.85 117.38 134.98 3kno n GLN 17 Ca -0.17 0.38 -0.51 0.00 -1.83 0.00 0.00 57.00 54.86 3kno n GLN 17 Cb 0.56 -2.96 -0.06 0.00 -0.86 0.00 0.00 30.24 26.92 3kno n GLN 17 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.06 175.23 3kno n ALA 18 N 11.56 -0.62 0.65 2.61 0.00 -1.26 -4.84 120.51 128.60 3kno n ALA 18 Ca 0.35 0.50 0.03 0.00 0.00 0.00 0.00 53.44 54.33 3kno n ALA 18 Cb 0.38 -2.12 0.13 0.00 0.00 0.00 0.00 19.45 17.84 3kno n ALA 18 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 3kno n LYS 19 N 2.78 2.10 -3.40 0.00 4.76 -1.26 -4.97 118.16 118.17 3kno n LYS 19 Ca 0.19 -1.06 -0.34 0.00 -2.87 0.00 0.00 58.31 54.22 3kno n LYS 19 Cb 0.20 -1.55 0.03 0.00 -1.84 0.00 0.00 35.03 31.87 3kno n LYS 19 CO 0.00 0.00 0.00 0.54 -1.37 0.00 0.00 177.40 176.57 3kno n ARG 20 N 0.25 -1.72 -4.24 1.97 3.00 -1.26 -4.98 116.66 109.67 3kno n ARG 20 Ca 0.10 1.20 -0.23 0.00 -0.01 0.00 0.00 57.85 58.90 3kno n ARG 20 Cb 0.45 -1.88 -0.07 0.00 0.00 0.00 0.00 32.46 30.96 3kno n ARG 20 CO 0.00 0.00 0.00 -0.48 0.00 0.00 0.00 177.63 177.15 3kno s LEU 21 N -2.73 3.19 0.00 0.55 2.34 -1.26 -4.98 118.68 115.78 3kno s LEU 21 Ca 0.29 -0.74 0.00 0.00 0.06 0.00 0.00 54.13 53.75 3kno s LEU 21 Cb -0.03 -1.67 0.00 0.00 -0.56 0.00 0.00 46.19 43.93 3kno s LEU 21 CO 0.82 -0.13 0.00 0.61 -1.06 0.00 0.00 176.35 176.59 3kno n GLY 22 N -0.98 2.41 3.65 -3.48 0.00 -0.47 -4.97 105.19 101.34 3kno n GLY 22 Ca -0.05 -1.90 -0.47 0.00 0.00 0.00 0.00 46.02 43.60 3kno n GLY 22 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 3kno n VAL 23 N -1.74 0.56 -0.07 1.61 0.31 -1.26 -2.91 118.33 114.82 3kno n VAL 23 Ca 0.00 -0.17 -0.13 0.00 -0.01 0.00 0.00 64.34 64.03 3kno n VAL 23 Cb 0.00 -2.03 -0.10 0.00 -0.91 0.00 0.00 33.84 30.80 3kno n VAL 23 CO 0.00 0.00 0.00 0.11 -1.32 0.00 0.00 176.83 175.62 3kno h LYS 24 N 10.53 0.00 -3.36 5.55 1.79 0.98 -3.42 116.57 128.64 3kno h LYS 24 Ca -0.46 0.00 -0.65 0.00 -2.18 0.00 0.00 60.65 57.36 3kno h LYS 24 Cb 1.27 0.00 -0.40 0.00 -1.58 0.00 0.00 32.23 31.52 3kno h LYS 24 CO 0.96 0.82 -0.54 1.03 -1.08 0.00 0.00 179.45 180.63 3kno s ARG 25 N -2.14 2.25 0.65 3.15 1.81 -1.05 -5.05 118.95 118.58 3kno s ARG 25 Ca -0.18 -2.78 -0.17 0.00 -1.72 0.00 0.00 55.73 50.88 3kno s ARG 25 Cb -0.01 -3.45 -0.08 0.00 -0.45 0.00 0.00 34.95 30.96 3kno s ARG 25 CO 0.56 -1.16 0.38 0.66 -0.68 0.00 0.00 175.30 175.06 3kno n TYR 26 N 2.92 -1.23 -1.35 -0.53 4.02 -1.26 -4.71 117.16 115.02 3kno n TYR 26 Ca 0.09 0.38 -0.40 0.00 -0.01 0.00 0.00 57.90 57.96 3kno n TYR 26 Cb 0.34 -1.88 0.01 0.00 -0.02 0.00 0.00 39.34 37.79 3kno n TYR 26 CO 0.00 0.00 0.00 -1.91 -1.01 0.00 0.00 176.86 173.94 3kno n GLU 27 N -0.04 0.22 0.00 -0.72 2.13 -1.26 -1.67 120.64 119.29 3kno n GLU 27 Ca 0.10 0.08 0.00 0.00 0.66 0.00 0.00 57.16 58.00 3kno n GLU 27 Cb 0.49 -1.25 0.00 0.00 0.27 0.00 0.00 31.44 30.95 3kno n GLU 27 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 3kno n GLY 28 N 2.18 3.09 3.75 8.31 0.00 -0.48 -4.95 105.19 117.08 3kno n GLY 28 Ca 0.10 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.71 3kno n GLY 28 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3kno s GLN 29 N -0.26 4.33 -0.80 1.61 -0.21 -0.67 -4.66 119.66 119.00 3kno s GLN 29 Ca 0.00 2.22 -0.25 0.00 0.02 0.00 0.00 55.36 57.34 3kno s GLN 29 Cb 0.00 -3.11 0.05 0.00 1.00 0.00 0.00 33.01 30.94 3kno s GLN 29 CO 0.00 -0.30 1.26 0.14 -2.12 0.00 0.00 175.29 174.27 3kno s VAL 30 N -0.40 3.90 0.00 1.09 -7.23 -1.26 -0.80 120.40 115.70 3kno s VAL 30 Ca 0.55 -0.05 0.00 0.00 -1.81 0.00 0.00 61.98 60.67 3kno s VAL 30 Cb -0.40 -4.91 0.00 0.00 0.56 0.00 0.00 36.38 31.63 3kno s VAL 30 CO 0.46 -1.80 0.00 0.52 -0.31 0.00 0.00 175.10 173.97 3kno n VAL 31 N 6.38 0.00 -3.67 1.32 0.31 -0.97 -5.00 118.33 116.70 3kno n VAL 31 Ca 0.09 0.00 -0.07 0.00 -0.01 0.00 0.00 64.34 64.36 3kno n VAL 31 Cb 0.49 -1.73 -0.00 0.00 -0.91 0.00 0.00 33.84 31.68 3kno n VAL 31 CO 0.00 0.00 0.00 0.54 -1.32 0.00 0.00 176.83 176.05 3kno n ARG 32 N -0.77 0.45 -2.19 5.55 1.74 -1.26 -4.43 116.66 115.74 3kno n ARG 32 Ca 0.00 -1.35 -0.42 0.00 -0.77 0.00 0.00 57.85 55.31 3kno n ARG 32 Cb 0.00 1.42 -0.03 0.00 -1.02 0.00 0.00 32.46 32.83 3kno n ARG 32 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3kno s ALA 33 N -1.96 3.59 0.00 7.54 0.00 -1.26 -3.55 121.76 126.13 3kno s ALA 33 Ca 0.13 0.94 0.00 0.00 0.00 0.00 0.00 51.96 53.03 3kno s ALA 33 Cb -0.01 -3.59 0.00 0.00 0.00 0.00 0.00 23.12 19.51 3kno s ALA 33 CO 0.09 -0.88 0.00 0.41 0.00 0.00 0.00 175.76 175.38 3kno n GLY 34 N 3.65 2.37 3.67 0.00 0.00 0.12 -4.97 105.19 110.03 3kno n GLY 34 Ca 0.13 0.00 -0.46 0.00 0.00 0.00 0.00 46.02 45.69 3kno n GLY 34 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3kno n ASN 35 N 0.00 2.95 -4.55 1.61 4.13 -1.23 -4.37 115.26 113.80 3kno n ASN 35 Ca 0.00 1.10 -0.43 0.00 1.68 0.00 0.00 54.58 56.93 3kno n ASN 35 Cb 0.00 -1.41 -0.04 0.00 -1.54 0.00 0.00 39.78 36.79 3kno n ASN 35 CO 0.00 0.00 0.00 0.27 0.28 0.00 0.00 177.26 177.81 3kno s ILE 36 N 0.68 4.27 0.17 2.41 -4.36 -1.26 0.75 121.20 123.86 3kno s ILE 36 Ca 0.77 0.56 -0.14 0.00 -0.26 0.00 0.00 60.65 61.57 3kno s ILE 36 Cb -0.69 -4.59 0.06 0.00 1.25 0.00 0.00 42.46 38.49 3kno s ILE 36 CO 0.41 -1.15 1.81 -0.07 0.24 0.00 0.00 174.94 176.17 3kno h LEU 37 N 11.24 0.44 -7.33 0.37 3.38 -1.41 -3.42 115.31 118.58 3kno h LEU 37 Ca -0.25 0.01 -0.13 0.00 0.09 0.00 0.00 57.88 57.59 3kno h LEU 37 Cb 1.07 -0.08 -0.25 0.00 0.09 0.00 0.00 40.66 41.48 3kno h LEU 37 CO 1.11 0.31 -0.30 -0.69 0.09 0.00 0.00 178.44 178.97 3kno s VAL 38 N -6.14 -0.01 -0.11 1.22 1.01 -1.04 0.14 120.40 115.48 3kno s VAL 38 Ca -0.13 0.02 -0.05 0.00 0.00 0.00 0.00 61.98 61.82 3kno s VAL 38 Cb 0.13 -0.53 -0.04 0.00 0.00 0.00 0.00 36.38 35.94 3kno s VAL 38 CO 0.73 0.01 0.08 -0.13 0.00 0.00 0.00 175.10 175.79 3kno s ARG 39 N 0.44 3.28 0.14 2.72 1.81 -1.15 -2.26 118.95 123.94 3kno s ARG 39 Ca -0.02 -0.26 -0.24 0.00 -1.72 0.00 0.00 55.73 53.49 3kno s ARG 39 Cb -0.04 -3.03 0.07 0.00 -0.45 0.00 0.00 34.95 31.50 3kno s ARG 39 CO -0.02 0.72 0.77 1.14 -0.68 0.00 0.00 175.30 177.23 3kno s GLN 40 N -0.89 1.25 0.00 3.54 -2.07 -1.26 -1.37 119.66 118.86 3kno s GLN 40 Ca 0.14 -0.58 -0.04 0.00 -1.82 0.00 0.00 55.36 53.06 3kno s GLN 40 Cb -0.12 0.50 -0.02 0.00 -1.09 0.00 0.00 33.01 32.28 3kno s GLN 40 CO 0.03 -0.56 0.74 0.00 -1.32 0.00 0.00 175.29 174.18 3kno h ARG 41 N 2.00 -0.13 0.00 9.60 -0.00 -1.95 -3.44 114.38 120.46 3kno h ARG 41 Ca -0.26 0.01 0.00 0.00 -0.50 0.00 0.00 59.98 59.23 3kno h ARG 41 Cb 1.26 0.03 0.00 0.00 0.00 0.00 0.00 29.97 31.26 3kno h ARG 41 CO 0.30 -0.09 0.00 0.41 0.00 0.00 0.00 179.97 180.60 3kno n GLY 42 N -0.13 2.32 2.77 0.04 0.00 -1.26 -4.90 105.19 104.03 3kno n GLY 42 Ca -0.02 -0.65 -0.37 0.00 0.00 0.00 0.00 46.02 44.99 3kno n GLY 42 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 3kno n THR 43 N 0.00 4.18 0.31 2.61 5.66 -1.26 -4.73 114.28 121.06 3kno n THR 43 Ca 0.00 -5.09 0.20 0.00 -3.05 0.00 0.00 64.05 56.11 3kno n THR 43 Cb 0.00 -1.36 1.03 0.00 -1.55 0.00 0.00 70.33 68.45 3kno n THR 43 CO 0.00 0.00 0.00 -0.09 -3.05 0.00 0.00 175.07 171.93 3kno h ARG 44 N 3.33 0.00 -3.30 1.09 2.43 -1.94 -3.39 114.38 112.60 3kno h ARG 44 Ca 0.47 0.00 -0.25 0.00 -0.81 0.00 0.00 59.98 59.39 3kno h ARG 44 Cb 0.30 0.00 -0.32 0.00 -0.42 0.00 0.00 29.97 29.53 3kno h ARG 44 CO 1.20 0.02 -0.62 -0.06 -1.51 0.00 0.00 179.97 178.99 3kno s PHE 45 N -4.15 -0.13 -0.01 2.20 0.40 -1.26 -4.46 117.98 110.57 3kno s PHE 45 Ca -0.04 0.42 -0.05 0.00 -0.60 0.00 0.00 56.93 56.66 3kno s PHE 45 Cb 0.13 -0.12 -0.04 0.00 0.51 0.00 0.00 43.02 43.50 3kno s PHE 45 CO 0.48 -0.16 0.24 0.15 0.70 0.00 0.00 175.22 176.62 3kno s LYS 46 N 1.18 3.53 0.29 0.44 1.02 -0.60 -4.97 119.74 120.64 3kno s LYS 46 Ca -0.09 -0.15 -0.29 0.00 0.02 0.00 0.00 55.97 55.46 3kno s LYS 46 Cb -0.12 -3.09 -0.13 0.00 -0.52 0.00 0.00 37.83 33.97 3kno s LYS 46 CO -0.05 0.66 1.28 -0.35 -0.92 0.00 0.00 175.35 175.97 3kno n PRO 47 N 1.12 1.94 0.00 -1.68 -0.04 -1.26 -3.25 135.00 131.83 3kno n PRO 47 Ca -0.12 0.68 0.00 0.00 -0.04 0.00 0.00 63.50 64.03 3kno n PRO 47 Cb 0.53 -2.26 0.00 0.00 -0.04 0.00 0.00 33.50 31.73 3kno n PRO 47 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3kno n GLY 48 N 1.37 3.67 3.68 0.55 0.00 -1.03 -4.82 105.19 108.62 3kno n GLY 48 Ca 0.08 -1.72 -0.42 0.00 0.00 0.00 0.00 46.02 43.96 3kno n GLY 48 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3kno s LYS 49 N 4.43 4.18 -1.66 1.61 1.02 -1.26 -2.37 119.74 125.69 3kno s LYS 49 Ca 0.00 2.36 0.00 0.00 0.02 0.00 0.00 55.97 58.35 3kno s LYS 49 Cb 0.00 -3.71 0.00 0.00 -0.52 0.00 0.00 37.83 33.60 3kno s LYS 49 CO 0.00 -0.78 0.00 0.09 -0.92 0.00 0.00 175.35 173.74 3kno n ASN 50 N 6.03 -4.83 -4.70 2.83 3.02 -1.26 -0.99 115.26 115.35 3kno n ASN 50 Ca 0.17 0.25 -0.26 0.00 -0.03 0.00 0.00 54.58 54.70 3kno n ASN 50 Cb 0.41 -4.19 -0.07 0.00 -0.61 0.00 0.00 39.78 35.32 3kno n ASN 50 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 3kno s VAL 51 N -2.67 3.93 -0.25 2.41 1.01 -1.00 -0.72 120.40 123.11 3kno s VAL 51 Ca 0.00 -1.38 -0.10 0.00 0.00 0.00 0.00 61.98 60.50 3kno s VAL 51 Cb 0.00 -3.00 0.10 0.00 0.00 0.00 0.00 36.38 33.48 3kno s VAL 51 CO 0.00 -0.15 0.57 -0.83 0.00 0.00 0.00 175.10 174.69 3kno s GLY 52 N -3.10 -0.57 0.03 4.51 0.00 -1.20 -4.54 107.32 102.45 3kno s GLY 52 Ca 0.29 2.04 -0.03 0.00 0.00 0.00 0.00 44.72 47.02 3kno s GLY 52 CO 0.20 2.61 0.23 -3.16 0.00 0.00 0.00 173.10 172.99 3kno s MET 53 N 2.42 3.49 0.47 2.90 0.23 -1.26 -2.21 119.30 125.35 3kno s MET 53 Ca -0.06 -0.27 0.06 0.00 -1.03 0.00 0.00 55.69 54.39 3kno s MET 53 Cb -0.10 -3.05 -0.02 0.00 -1.53 0.00 0.00 34.83 30.13 3kno s MET 53 CO -0.17 0.63 0.23 0.20 -2.03 0.00 0.00 175.02 173.87 3kno s GLY 54 N -2.10 2.47 0.00 3.16 0.00 -1.15 -4.85 107.32 104.84 3kno s GLY 54 Ca 0.31 -1.53 0.00 0.00 0.00 0.00 0.00 44.72 43.51 3kno s GLY 54 CO 0.21 -1.97 0.00 0.54 0.00 0.00 0.00 173.10 171.89 3kno n ARG 55 N -1.42 0.00 -1.51 2.90 1.74 -1.26 0.17 116.66 117.27 3kno n ARG 55 Ca -0.04 0.00 -0.24 0.00 -0.77 0.00 0.00 57.85 56.80 3kno n ARG 55 Cb 0.65 0.00 0.08 0.00 -1.02 0.00 0.00 32.46 32.17 3kno n ARG 55 CO 0.00 0.00 0.00 -0.40 -1.52 0.00 0.00 177.63 175.71 3kno n ASP 56 N -1.61 5.31 -1.65 0.55 3.85 -1.26 -4.90 116.55 116.85 3kno n ASP 56 Ca 0.00 -3.77 -0.17 0.00 -0.71 0.00 0.00 54.79 50.14 3kno n ASP 56 Cb 0.00 -0.63 -0.06 0.00 -1.35 0.00 0.00 41.12 39.07 3kno n ASP 56 CO 0.00 0.00 0.00 0.49 -1.01 0.00 0.00 177.20 176.68 3kno n PHE 57 N -0.88 -0.35 -2.64 2.11 3.72 0.44 -4.47 117.46 115.38 3kno n PHE 57 Ca 0.49 0.00 -0.42 0.00 -0.05 0.00 0.00 57.45 57.47 3kno n PHE 57 Cb 0.90 -3.10 -0.03 0.00 -0.94 0.00 0.00 39.48 36.31 3kno n PHE 57 CO 0.00 0.00 0.00 0.99 -0.05 0.00 0.00 176.76 177.70 3kno s THR 58 N -2.52 4.10 0.53 4.37 2.01 -1.11 -4.52 115.64 118.50 3kno s THR 58 Ca 0.00 -0.96 -0.20 0.00 0.31 0.00 0.00 61.69 60.83 3kno s THR 58 Cb 0.00 -5.00 -0.06 0.00 0.01 0.00 0.00 72.50 67.45 3kno s THR 58 CO 0.00 -1.85 1.19 -0.76 -0.69 0.00 0.00 174.62 172.51 3kno s LEU 59 N 4.46 3.81 0.00 4.42 1.43 -0.96 -2.94 118.68 128.90 3kno s LEU 59 Ca 0.43 2.34 0.00 0.00 -1.03 0.00 0.00 54.13 55.87 3kno s LEU 59 Cb -0.01 -4.46 0.00 0.00 0.03 0.00 0.00 46.19 41.75 3kno s LEU 59 CO -0.10 -1.27 0.00 2.22 0.23 0.00 0.00 176.35 177.43 3kno n PHE 60 N -1.12 -0.13 -4.19 0.29 1.16 -0.94 -1.23 117.46 111.31 3kno n PHE 60 Ca 0.11 0.00 -0.36 0.00 -1.87 0.00 0.00 57.45 55.33 3kno n PHE 60 Cb 0.49 0.00 -0.08 0.00 -1.61 0.00 0.00 39.48 38.28 3kno n PHE 60 CO 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 176.76 174.89 3kno s ALA 61 N -1.82 3.49 -0.66 1.98 0.00 0.23 -3.27 121.76 121.71 3kno s ALA 61 Ca 0.00 -0.75 0.15 0.00 0.00 0.00 0.00 51.96 51.36 3kno s ALA 61 Cb 0.00 -1.66 -0.17 0.00 0.00 0.00 0.00 23.12 21.29 3kno s ALA 61 CO 0.00 0.58 0.61 1.28 0.00 0.00 0.00 175.76 178.23 3kno n LEU 62 N 2.15 0.66 -3.97 0.00 4.77 0.10 0.16 117.00 120.87 3kno n LEU 62 Ca -0.19 -0.47 -0.10 0.00 -0.03 0.00 0.00 56.01 55.23 3kno n LEU 62 Cb 0.54 0.00 -0.07 0.00 -2.33 0.00 0.00 43.42 41.56 3kno n LEU 62 CO 0.29 0.16 0.01 0.68 -1.33 0.00 0.00 177.39 177.21 3kno s VAL 63 N -2.45 0.05 -1.43 4.08 -7.23 -1.26 -4.85 120.40 107.32 3kno s VAL 63 Ca 0.05 -1.39 -0.11 0.00 -1.81 0.00 0.00 61.98 58.72 3kno s VAL 63 Cb 0.11 -1.91 0.06 0.00 0.56 0.00 0.00 36.38 35.20 3kno s VAL 63 CO 0.61 -0.23 2.29 0.47 -0.31 0.00 0.00 175.10 177.93 3kno n ASP 64 N -0.25 5.68 0.00 4.85 9.92 -1.26 -4.06 116.55 131.43 3kno n ASP 64 Ca -0.06 -2.90 0.00 0.00 -0.53 0.00 0.00 54.79 51.30 3kno n ASP 64 Cb 0.63 -1.55 0.00 0.00 -0.64 0.00 0.00 41.12 39.56 3kno n ASP 64 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 3kno n GLY 65 N 3.33 3.66 3.28 0.44 0.00 -1.26 -3.93 105.19 110.71 3kno n GLY 65 Ca 0.55 -1.98 -0.28 0.00 0.00 0.00 0.00 46.02 44.31 3kno n GLY 65 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3kno s VAL 66 N 1.98 1.83 0.47 1.61 1.01 -1.10 -2.30 120.40 123.90 3kno s VAL 66 Ca 0.00 -1.20 -0.23 0.00 0.00 0.00 0.00 61.98 60.56 3kno s VAL 66 Cb 0.00 -1.57 -0.07 0.00 0.00 0.00 0.00 36.38 34.75 3kno s VAL 66 CO 0.00 0.33 1.20 -0.69 0.00 0.00 0.00 175.10 175.94 3kno s VAL 67 N -0.73 2.92 -0.28 2.92 1.01 0.02 -2.19 120.40 124.06 3kno s VAL 67 Ca 0.09 0.69 -0.12 0.00 0.00 0.00 0.00 61.98 62.64 3kno s VAL 67 Cb -0.09 -3.35 0.11 0.00 0.00 0.00 0.00 36.38 33.04 3kno s VAL 67 CO 0.01 -0.01 0.65 -1.83 0.00 0.00 0.00 175.10 173.92 3kno s GLU 68 N -2.72 0.61 0.01 2.72 -1.05 -0.76 -1.38 118.70 116.13 3kno s GLU 68 Ca 0.65 1.33 -0.09 0.00 -0.15 0.00 0.00 54.97 56.71 3kno s GLU 68 Cb -0.31 0.53 -0.05 0.00 -0.44 0.00 0.00 34.13 33.86 3kno s GLU 68 CO 0.37 -0.18 0.31 -0.06 0.95 0.00 0.00 175.26 176.65 3kno s PHE 69 N 2.34 3.61 0.00 4.83 0.40 -1.26 0.65 117.98 128.54 3kno s PHE 69 Ca -0.08 0.69 0.05 0.00 -0.60 0.00 0.00 56.93 56.99 3kno s PHE 69 Cb -0.09 -2.07 -0.01 0.00 0.51 0.00 0.00 43.02 41.35 3kno s PHE 69 CO -0.19 0.61 -0.15 -1.14 0.70 0.00 0.00 175.22 175.06 3kno s GLN 70 N -1.60 1.12 -0.44 0.44 0.74 0.42 -4.94 119.66 115.40 3kno s GLN 70 Ca 0.27 -0.58 -0.01 0.00 0.05 0.00 0.00 55.36 55.09 3kno s GLN 70 Cb -0.14 -1.10 0.12 0.00 1.10 0.00 0.00 33.01 32.99 3kno s GLN 70 CO 0.15 0.29 0.21 0.34 -0.55 0.00 0.00 175.29 175.73 3kno s ASP 71 N -0.55 5.04 0.00 6.67 2.15 -1.26 -0.17 116.67 128.55 3kno s ASP 71 Ca 0.05 -2.30 0.00 0.00 0.43 0.00 0.00 52.55 50.73 3kno s ASP 71 Cb -0.06 -1.77 0.00 0.00 -0.30 0.00 0.00 42.92 40.79 3kno s ASP 71 CO -0.00 -0.44 1.72 0.54 -0.17 0.00 0.00 175.17 176.82 3kno n ARG 72 N 4.18 0.95 0.00 4.34 5.12 -0.31 -4.95 116.66 125.99 3kno n ARG 72 Ca 0.02 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.94 3kno n ARG 72 Cb 0.40 -1.02 0.00 0.00 -1.16 0.00 0.00 32.46 30.67 3kno n ARG 72 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 3kno n GLY 73 N 1.34 2.96 2.08 -0.13 0.00 -1.25 -1.56 105.19 108.63 3kno n GLY 73 Ca 0.00 -0.08 -0.15 0.00 0.00 0.00 0.00 46.02 45.79 3kno n GLY 73 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3kno n ARG 74 N 14.00 2.07 0.00 1.61 1.74 -1.26 -1.66 116.66 133.16 3kno n ARG 74 Ca 0.00 -1.09 0.00 0.00 -0.77 0.00 0.00 57.85 55.99 3kno n ARG 74 Cb 0.00 -2.07 0.00 0.00 -1.02 0.00 0.00 32.46 29.37 3kno n ARG 74 CO 0.00 0.00 0.00 -0.11 -1.52 0.00 0.00 177.63 176.00 3kno n LEU 75 N 2.70 0.00 0.00 0.55 0.00 -0.60 -5.15 117.00 114.49 3kno n LEU 75 Ca 0.44 0.00 0.00 0.00 0.00 0.00 0.00 56.01 56.45 3kno n LEU 75 Cb 0.76 0.00 0.00 0.00 0.00 0.00 0.00 43.42 44.18 3kno n LEU 75 CO 0.23 0.00 0.00 0.61 0.00 0.00 0.00 177.39 178.23 3kno n GLY 76 N 0.00 2.20 2.96 -3.96 0.00 -0.66 -4.89 105.19 100.84 3kno n GLY 76 Ca 0.00 -2.04 -0.31 0.00 0.00 0.00 0.00 46.02 43.67 3kno n GLY 76 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3kno s ARG 77 N -1.66 1.66 -0.10 1.61 0.52 -1.26 -1.16 118.95 118.55 3kno s ARG 77 Ca 0.00 -1.22 -0.03 0.00 -0.52 0.00 0.00 55.73 53.95 3kno s ARG 77 Cb 0.00 -2.71 -0.03 0.00 0.52 0.00 0.00 34.95 32.73 3kno s ARG 77 CO 0.00 -0.68 0.03 0.71 0.02 0.00 0.00 175.30 175.38 3kno s TYR 78 N 1.27 3.24 -0.33 -0.53 1.51 0.76 -1.56 117.35 121.71 3kno s TYR 78 Ca -0.03 0.22 -0.07 0.00 -1.01 0.00 0.00 57.07 56.19 3kno s TYR 78 Cb -0.19 -1.85 0.03 0.00 -0.11 0.00 0.00 41.96 39.84 3kno s TYR 78 CO -0.08 0.46 0.10 0.08 -1.11 0.00 0.00 175.55 175.00 3kno s VAL 79 N -0.73 3.83 0.44 0.71 1.01 -1.20 0.16 120.40 124.62 3kno s VAL 79 Ca 0.12 -1.00 0.08 0.00 0.00 0.00 0.00 61.98 61.18 3kno s VAL 79 Cb -0.12 -3.11 0.02 0.00 0.00 0.00 0.00 36.38 33.17 3kno s VAL 79 CO 0.02 -0.10 0.58 -1.00 0.00 0.00 0.00 175.10 174.60 3kno s HIS 80 N 1.43 2.65 -0.32 5.22 3.76 0.21 -2.45 115.29 125.80 3kno s HIS 80 Ca -0.00 -0.44 -0.02 0.00 -0.15 0.00 0.00 55.06 54.45 3kno s HIS 80 Cb -0.19 -2.35 0.11 0.00 1.11 0.00 0.00 32.58 31.26 3kno s HIS 80 CO 0.03 -0.48 0.14 0.08 -0.85 0.00 0.00 174.74 173.66 3kno s VAL 81 N -2.39 0.42 -0.56 -0.90 1.01 -0.16 -1.83 120.40 115.98 3kno s VAL 81 Ca 0.55 -1.24 -0.22 0.00 0.00 0.00 0.00 61.98 61.07 3kno s VAL 81 Cb -0.09 -1.33 0.06 0.00 0.00 0.00 0.00 36.38 35.02 3kno s VAL 81 CO 0.33 -0.75 0.82 0.00 0.00 0.00 0.00 175.10 175.50 3kno s ARG 82 N 1.67 3.19 0.99 2.72 1.70 -0.93 -4.49 118.95 123.80 3kno s ARG 82 Ca 0.11 -0.68 -0.16 0.00 -0.47 0.00 0.00 55.73 54.53 3kno s ARG 82 Cb -0.18 -4.12 -0.11 0.00 -0.57 0.00 0.00 34.95 29.97 3kno s ARG 82 CO -0.25 -1.48 -0.53 -0.35 -1.08 0.00 0.00 175.30 171.61 3kno n PRO 83 N 7.01 -0.07 -1.90 3.89 -0.04 -1.26 -2.71 135.00 139.91 3kno n PRO 83 Ca -0.03 -0.01 -0.31 0.00 -0.04 0.00 0.00 63.50 63.11 3kno n PRO 83 Cb 0.46 -1.20 0.01 0.00 -0.04 0.00 0.00 33.50 32.73 3kno n PRO 83 CO 0.00 0.00 0.00 -0.48 -0.04 0.00 0.00 175.50 174.98 3kno s LEU 84 N 5.86 3.22 0.00 1.53 0.05 -1.25 -4.78 118.68 123.30 3kno s LEU 84 Ca 0.44 1.37 0.00 0.00 0.05 0.00 0.00 54.13 55.99 3kno s LEU 84 Cb -0.19 -4.39 0.00 0.00 -2.05 0.00 0.00 46.19 39.56 3kno s LEU 84 CO 0.79 -0.90 0.00 0.00 -0.55 0.00 0.00 176.35 175.69