#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kni s HIS 3 N 0.00 2.76 0.00 0.00 -0.00 -1.26 -5.11 115.29 111.68 3kni s HIS 3 Ca 0.00 1.01 0.00 0.00 -0.00 0.00 0.00 55.06 56.07 3kni s HIS 3 Cb 0.00 -3.24 0.00 0.00 -0.00 0.00 0.00 32.58 29.34 3kni s HIS 3 CO 0.00 -1.94 0.00 1.17 -0.00 0.00 0.00 174.74 173.97 3kni n LYS 4 N -3.51 2.37 -3.87 -0.38 4.81 -1.26 -5.17 118.16 111.15 3kni n LYS 4 Ca 0.07 0.00 -0.11 0.00 -0.87 0.00 0.00 58.31 57.40 3kni n LYS 4 Cb 0.58 0.00 -0.11 0.00 0.02 0.00 0.00 35.03 35.52 3kni n LYS 4 CO 0.00 0.00 0.00 0.15 1.17 0.00 0.00 177.40 178.72 3kni s LYS 5 N -0.61 0.38 0.52 1.64 -0.14 -1.26 -5.16 119.74 115.12 3kni s LYS 5 Ca 0.00 -0.25 -0.19 0.00 -1.36 0.00 0.00 55.97 54.17 3kni s LYS 5 Cb 0.00 0.16 -0.07 0.00 -1.68 0.00 0.00 37.83 36.24 3kni s LYS 5 CO 0.00 -0.08 1.07 0.20 -0.76 0.00 0.00 175.35 175.78 3kni s GLY 6 N -0.98 2.49 0.07 -3.33 0.00 -1.26 -5.07 107.32 99.25 3kni s GLY 6 Ca -0.11 0.65 -0.00 0.00 0.00 0.00 0.00 44.72 45.27 3kni s GLY 6 CO 0.01 0.99 -0.04 1.08 0.00 0.00 0.00 173.10 175.14 3kni s LEU 7 N -3.76 2.44 0.00 0.66 1.43 -1.26 -5.18 118.68 113.02 3kni s LEU 7 Ca 0.69 -1.02 0.00 0.00 -1.03 0.00 0.00 54.13 52.77 3kni s LEU 7 Cb -0.19 0.11 0.00 0.00 0.03 0.00 0.00 46.19 46.14 3kni s LEU 7 CO 0.25 -0.56 0.00 0.61 0.23 0.00 0.00 176.35 176.88 3kni n GLY 8 N 0.04 4.00 3.49 -3.19 0.00 -1.26 -5.15 105.19 103.11 3kni n GLY 8 Ca -0.13 -2.08 -0.26 0.00 0.00 0.00 0.00 46.02 43.55 3kni n GLY 8 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3kni s SER 9 N -0.43 3.78 -0.14 1.61 0.15 -1.26 -5.12 113.70 112.28 3kni s SER 9 Ca 0.00 -0.82 -0.08 0.00 0.70 0.00 0.00 55.95 55.74 3kni s SER 9 Cb 0.00 -0.43 -0.04 0.00 -1.71 0.00 0.00 66.02 63.83 3kni s SER 9 CO 0.00 0.08 0.15 -0.89 1.20 0.00 0.00 173.24 173.78 3kni s THR 10 N -1.97 5.46 -0.87 6.45 2.01 -1.26 -4.98 115.64 120.48 3kni s THR 10 Ca 0.25 0.23 0.19 0.00 0.31 0.00 0.00 61.69 62.67 3kni s THR 10 Cb -0.07 -3.44 -0.20 0.00 0.01 0.00 0.00 72.50 68.80 3kni s THR 10 CO 0.13 0.55 0.79 0.54 -0.69 0.00 0.00 174.62 175.95 3kni n ARG 11 N 2.51 0.82 0.04 4.92 1.74 -1.26 -4.64 116.66 120.80 3kni n ARG 11 Ca -0.18 -0.00 0.11 0.00 -0.77 0.00 0.00 57.85 57.01 3kni n ARG 11 Cb 0.54 -1.38 -0.01 0.00 -1.02 0.00 0.00 32.46 30.58 3kni n ARG 11 CO 0.00 0.00 0.00 0.27 -1.52 0.00 0.00 177.63 176.38 3kni n ASN 12 N -1.45 0.58 -4.56 0.55 0.23 -1.26 -4.85 115.26 104.50 3kni n ASN 12 Ca 0.03 -0.01 -0.38 0.00 -0.53 0.00 0.00 54.58 53.70 3kni n ASN 12 Cb 0.29 0.87 -0.03 0.00 -2.08 0.00 0.00 39.78 38.84 3kni n ASN 12 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 3kni n GLY 13 N 1.30 0.35 3.63 4.83 0.00 -1.26 -4.76 105.19 109.27 3kni n GLY 13 Ca 0.00 0.69 -0.04 0.00 0.00 0.00 0.00 46.02 46.67 3kni n GLY 13 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 3kni s ARG 14 N 7.89 0.17 -0.10 1.61 3.52 -1.26 -5.15 118.95 125.63 3kni s ARG 14 Ca 0.99 0.06 -0.33 0.00 -0.13 0.00 0.00 55.73 56.32 3kni s ARG 14 Cb -0.23 0.08 0.13 0.00 -1.56 0.00 0.00 34.95 33.38 3kni s ARG 14 CO 0.28 -0.05 1.30 0.34 -0.81 0.00 0.00 175.30 176.37 3kni s ASP 15 N -0.90 -0.06 -0.19 -2.12 2.15 -1.26 -5.15 116.67 109.14 3kni s ASP 15 Ca 0.07 -0.07 -0.07 0.00 0.43 0.00 0.00 52.55 52.90 3kni s ASP 15 Cb -0.01 0.12 -0.04 0.00 -0.30 0.00 0.00 42.92 42.68 3kni s ASP 15 CO -0.07 -0.21 0.06 -0.94 -0.17 0.00 0.00 175.17 173.85 3kni s SER 16 N -2.70 5.59 -0.18 -0.34 1.04 -1.26 -5.08 113.70 110.78 3kni s SER 16 Ca 0.13 0.06 -0.29 0.00 0.48 0.00 0.00 55.95 56.33 3kni s SER 16 Cb 0.03 -1.96 -0.02 0.00 0.10 0.00 0.00 66.02 64.17 3kni s SER 16 CO -0.04 0.16 1.39 0.00 0.98 0.00 0.00 173.24 175.72 3kni s GLN 17 N 0.45 4.09 0.00 4.02 0.00 -1.26 -4.91 119.66 122.06 3kni s GLN 17 Ca 0.03 1.66 0.00 0.00 -0.00 0.00 0.00 55.36 57.05 3kni s GLN 17 Cb -0.13 -3.86 0.00 0.00 0.00 0.00 0.00 33.01 29.02 3kni s GLN 17 CO 0.01 -0.90 0.00 0.00 0.00 0.00 0.00 175.29 174.39 3kni n ALA 18 N 7.18 -0.82 0.46 2.60 0.00 -1.26 -4.87 120.51 123.81 3kni n ALA 18 Ca 0.15 0.00 0.10 0.00 0.00 0.00 0.00 53.44 53.69 3kni n ALA 18 Cb 0.45 0.00 0.15 0.00 0.00 0.00 0.00 19.45 20.05 3kni n ALA 18 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 3kni n LYS 19 N 0.00 2.12 -4.18 0.00 4.76 -1.26 -5.00 118.16 114.61 3kni n LYS 19 Ca 0.00 -1.97 -0.39 0.00 -2.87 0.00 0.00 58.31 53.08 3kni n LYS 19 Cb 0.00 -1.42 -0.03 0.00 -1.84 0.00 0.00 35.03 31.74 3kni n LYS 19 CO 0.00 0.00 0.00 0.54 -1.37 0.00 0.00 177.40 176.57 3kni n ARG 20 N 1.21 -0.68 -2.45 1.97 1.74 -1.26 -4.95 116.66 112.23 3kni n ARG 20 Ca 0.15 0.10 -0.25 0.00 -0.77 0.00 0.00 57.85 57.08 3kni n ARG 20 Cb 0.53 -3.09 0.13 0.00 -1.02 0.00 0.00 32.46 29.01 3kni n ARG 20 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 3kni s LEU 21 N -7.41 2.91 0.00 0.55 1.43 -1.26 -5.03 118.68 109.88 3kni s LEU 21 Ca 0.26 -0.25 0.00 0.00 -1.03 0.00 0.00 54.13 53.10 3kni s LEU 21 Cb -0.14 -1.99 0.00 0.00 0.03 0.00 0.00 46.19 44.08 3kni s LEU 21 CO 0.98 -2.09 0.00 0.61 0.23 0.00 0.00 176.35 176.08 3kni n GLY 22 N -3.06 1.51 3.59 -3.19 0.00 0.26 -4.94 105.19 99.36 3kni n GLY 22 Ca 0.15 -2.25 -0.34 0.00 0.00 0.00 0.00 46.02 43.58 3kni n GLY 22 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 3kni n VAL 23 N -0.94 1.78 -0.03 1.61 0.31 -1.26 -0.13 118.33 119.67 3kni n VAL 23 Ca 0.00 -0.27 0.00 0.00 -0.01 0.00 0.00 64.34 64.06 3kni n VAL 23 Cb 0.00 -0.99 0.00 0.00 -0.91 0.00 0.00 33.84 31.94 3kni n VAL 23 CO 0.00 0.00 0.00 0.29 -1.32 0.00 0.00 176.83 175.80 3kni n LYS 24 N -2.24 1.81 -4.08 5.55 4.76 0.12 -4.75 118.16 119.34 3kni n LYS 24 Ca 0.12 -0.01 -0.09 0.00 -2.87 0.00 0.00 58.31 55.46 3kni n LYS 24 Cb 0.51 -0.16 -0.10 0.00 -1.84 0.00 0.00 35.03 33.44 3kni n LYS 24 CO 0.00 0.00 0.00 1.03 -1.37 0.00 0.00 177.40 177.06 3kni s ARG 25 N -0.26 0.57 0.18 1.97 1.81 -1.08 -4.99 118.95 117.15 3kni s ARG 25 Ca 0.00 -1.04 0.09 0.00 -1.72 0.00 0.00 55.73 53.06 3kni s ARG 25 Cb 0.00 0.06 -0.04 0.00 -0.45 0.00 0.00 34.95 34.51 3kni s ARG 25 CO 0.00 -0.06 -0.19 0.71 -0.68 0.00 0.00 175.30 175.08 3kni s TYR 26 N -3.00 1.90 -0.07 -0.53 1.51 -1.26 -4.97 117.35 110.93 3kni s TYR 26 Ca 0.01 -0.45 -0.39 0.00 -1.01 0.00 0.00 57.07 55.22 3kni s TYR 26 Cb 0.01 -0.93 -0.17 0.00 -0.11 0.00 0.00 41.96 40.76 3kni s TYR 26 CO -0.06 0.37 1.43 -1.91 -1.11 0.00 0.00 175.55 174.27 3kni n GLU 27 N 0.19 0.87 -0.25 -0.62 2.13 -1.26 0.07 120.64 121.78 3kni n GLU 27 Ca -0.12 0.32 0.00 0.00 0.66 0.00 0.00 57.16 58.01 3kni n GLU 27 Cb 0.57 -1.94 0.00 0.00 0.27 0.00 0.00 31.44 30.35 3kni n GLU 27 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 3kni n GLY 28 N 2.92 0.62 3.57 8.31 0.00 -1.02 -4.98 105.19 114.62 3kni n GLY 28 Ca 0.22 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.84 3kni n GLY 28 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3kni s GLN 29 N -0.75 3.80 0.17 1.61 -0.21 0.11 -4.93 119.66 119.45 3kni s GLN 29 Ca 0.00 -0.26 -0.31 0.00 0.02 0.00 0.00 55.36 54.81 3kni s GLN 29 Cb 0.00 -3.72 -0.09 0.00 1.00 0.00 0.00 33.01 30.19 3kni s GLN 29 CO 0.00 -0.36 1.48 0.14 -2.12 0.00 0.00 175.29 174.44 3kni s VAL 30 N 1.95 2.84 0.00 1.09 -7.23 -1.26 -3.34 120.40 114.45 3kni s VAL 30 Ca 0.11 0.62 0.00 0.00 -1.81 0.00 0.00 61.98 60.91 3kni s VAL 30 Cb -0.16 -3.40 0.00 0.00 0.56 0.00 0.00 36.38 33.38 3kni s VAL 30 CO 0.11 0.06 0.00 1.33 -0.31 0.00 0.00 175.10 176.29 3kni n VAL 31 N 3.59 0.00 -3.90 1.32 0.24 -1.13 -5.01 118.33 113.44 3kni n VAL 31 Ca 0.11 0.00 -0.11 0.00 -2.04 0.00 0.00 64.34 62.30 3kni n VAL 31 Cb 0.40 0.00 -0.13 0.00 -1.47 0.00 0.00 33.84 32.64 3kni n VAL 31 CO 0.00 0.00 0.00 -0.13 -2.14 0.00 0.00 176.83 174.56 3kni s ARG 32 N -1.63 0.08 0.25 7.34 0.52 -1.26 -3.92 118.95 120.32 3kni s ARG 32 Ca 0.00 -0.15 -0.30 0.00 -0.52 0.00 0.00 55.73 54.76 3kni s ARG 32 Cb 0.00 0.02 -0.14 0.00 0.52 0.00 0.00 34.95 35.35 3kni s ARG 32 CO 0.00 -0.01 1.21 0.00 0.02 0.00 0.00 175.30 176.52 3kni n ALA 33 N 2.72 0.21 0.00 2.13 0.00 -1.26 -1.79 120.51 122.52 3kni n ALA 33 Ca -0.15 0.41 0.00 0.00 0.00 0.00 0.00 53.44 53.71 3kni n ALA 33 Cb 0.59 -2.13 0.00 0.00 0.00 0.00 0.00 19.45 17.91 3kni n ALA 33 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3kni n GLY 34 N 1.68 3.38 2.36 0.00 0.00 -0.56 -4.93 105.19 107.13 3kni n GLY 34 Ca 0.11 -0.96 -0.31 0.00 0.00 0.00 0.00 46.02 44.86 3kni n GLY 34 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3kni n ASN 35 N 0.23 -1.58 -4.91 1.61 4.13 -0.74 -4.52 115.26 109.48 3kni n ASN 35 Ca 0.00 0.66 -0.30 0.00 1.68 0.00 0.00 54.58 56.62 3kni n ASN 35 Cb 0.00 -0.64 -0.04 0.00 -1.54 0.00 0.00 39.78 37.56 3kni n ASN 35 CO 0.00 0.00 0.00 0.27 0.28 0.00 0.00 177.26 177.81 3kni s ILE 36 N -0.99 5.23 0.00 2.41 -5.25 -1.26 -1.09 121.20 120.24 3kni s ILE 36 Ca 0.43 -0.20 0.00 0.00 -0.99 0.00 0.00 60.65 59.89 3kni s ILE 36 Cb -0.53 -3.66 0.00 0.00 2.95 0.00 0.00 42.46 41.22 3kni s ILE 36 CO 0.42 -0.01 0.00 0.18 -1.79 0.00 0.00 174.94 173.75 3kni n LEU 37 N -0.11 0.00 -3.64 0.37 4.77 0.25 -4.75 117.00 113.88 3kni n LEU 37 Ca -0.04 -0.03 -0.08 0.00 -0.03 0.00 0.00 56.01 55.83 3kni n LEU 37 Cb 0.52 0.00 -0.07 0.00 -2.33 0.00 0.00 43.42 41.54 3kni n LEU 37 CO 0.49 0.00 0.34 -0.69 -1.33 0.00 0.00 177.39 176.20 3kni s VAL 38 N -1.74 -0.00 -0.09 4.08 1.01 -1.07 0.14 120.40 122.73 3kni s VAL 38 Ca 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 61.98 61.96 3kni s VAL 38 Cb 0.00 -0.98 -0.03 0.00 0.00 0.00 0.00 36.38 35.37 3kni s VAL 38 CO 0.00 0.00 0.03 -0.13 0.00 0.00 0.00 175.10 175.00 3kni s ARG 39 N 1.51 3.08 -0.10 2.72 1.81 0.82 -0.89 118.95 127.90 3kni s ARG 39 Ca -0.09 -0.35 -0.30 0.00 -1.72 0.00 0.00 55.73 53.27 3kni s ARG 39 Cb -0.05 -2.88 0.12 0.00 -0.45 0.00 0.00 34.95 31.69 3kni s ARG 39 CO -0.18 0.72 0.96 1.14 -0.68 0.00 0.00 175.30 177.27 3kni s GLN 40 N -0.91 0.67 -0.19 3.54 -2.07 -1.26 -0.57 119.66 118.86 3kni s GLN 40 Ca 0.14 -0.04 -0.14 0.00 -1.82 0.00 0.00 55.36 53.50 3kni s GLN 40 Cb -0.11 0.31 -0.20 0.00 -1.09 0.00 0.00 33.01 31.91 3kni s GLN 40 CO 0.03 -0.25 0.15 0.54 -1.32 0.00 0.00 175.29 174.44 3kni n ARG 41 N 0.31 0.64 0.00 9.60 3.00 -1.26 -4.58 116.66 124.37 3kni n ARG 41 Ca -0.09 0.40 0.00 0.00 -0.01 0.00 0.00 57.85 58.15 3kni n ARG 41 Cb 0.59 -1.68 0.00 0.00 0.00 0.00 0.00 32.46 31.37 3kni n ARG 41 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 3kni n GLY 42 N 1.66 1.43 2.60 -0.13 0.00 -1.26 -4.83 105.19 104.66 3kni n GLY 42 Ca -0.36 -1.61 -0.28 0.00 0.00 0.00 0.00 46.02 43.76 3kni n GLY 42 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 3kni s THR 43 N 2.28 1.14 -1.91 2.61 -1.32 -1.26 -4.86 115.64 112.32 3kni s THR 43 Ca 0.00 -2.82 0.19 0.00 -1.21 0.00 0.00 61.69 57.85 3kni s THR 43 Cb 0.00 -1.78 0.39 0.00 -1.51 0.00 0.00 72.50 69.59 3kni s THR 43 CO 0.00 -1.05 1.31 -2.11 -2.21 0.00 0.00 174.62 170.56 3kni n ARG 44 N 3.04 2.36 -3.35 7.08 1.85 -1.26 -4.74 116.66 121.65 3kni n ARG 44 Ca 0.19 -2.15 -0.08 0.00 -1.00 0.00 0.00 57.85 54.81 3kni n ARG 44 Cb 0.40 -1.43 -0.08 0.00 -1.05 0.00 0.00 32.46 30.30 3kni n ARG 44 CO 0.00 0.00 0.00 -0.06 -0.01 0.00 0.00 177.63 177.56 3kni s PHE 45 N -1.23 -0.87 0.44 2.89 0.40 -1.26 -4.45 117.98 113.90 3kni s PHE 45 Ca 0.33 0.91 -0.02 0.00 -0.60 0.00 0.00 56.93 57.55 3kni s PHE 45 Cb 0.19 0.06 -0.02 0.00 0.51 0.00 0.00 43.02 43.76 3kni s PHE 45 CO 0.26 -0.72 0.70 0.15 0.70 0.00 0.00 175.22 176.30 3kni s LYS 46 N 2.57 3.36 -0.13 0.44 1.02 -0.52 -4.92 119.74 121.57 3kni s LYS 46 Ca 0.13 -0.14 -0.29 0.00 0.02 0.00 0.00 55.97 55.68 3kni s LYS 46 Cb -0.15 -2.50 -0.03 0.00 -0.52 0.00 0.00 37.83 34.63 3kni s LYS 46 CO -0.16 -0.15 1.36 -1.25 -0.92 0.00 0.00 175.35 174.23 3kni s PRO 47 N -4.59 4.23 0.00 -1.68 0.04 -1.26 -2.28 135.00 129.46 3kni s PRO 47 Ca 0.46 1.81 0.00 0.00 0.04 0.00 0.00 61.00 63.30 3kni s PRO 47 Cb -0.10 -3.80 0.00 0.00 0.04 0.00 0.00 34.50 30.64 3kni s PRO 47 CO 0.41 -0.72 0.00 0.41 0.04 0.00 0.00 177.00 177.13 3kni n GLY 48 N 3.73 1.00 3.76 0.56 0.00 0.25 -4.83 105.19 109.65 3kni n GLY 48 Ca 0.15 -0.80 -0.40 0.00 0.00 0.00 0.00 46.02 44.97 3kni n GLY 48 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3kni s LYS 49 N 1.30 4.46 -1.43 1.61 1.02 -1.25 -3.77 119.74 121.68 3kni s LYS 49 Ca 0.00 1.00 -0.11 0.00 0.02 0.00 0.00 55.97 56.88 3kni s LYS 49 Cb 0.00 -3.34 0.04 0.00 -0.52 0.00 0.00 37.83 34.01 3kni s LYS 49 CO 0.00 0.37 1.09 0.09 -0.92 0.00 0.00 175.35 175.98 3kni n ASN 50 N 2.54 -5.82 -3.84 2.83 3.02 -1.26 -1.43 115.26 111.30 3kni n ASN 50 Ca -0.04 -0.61 -0.24 0.00 -0.03 0.00 0.00 54.58 53.65 3kni n ASN 50 Cb 0.50 -4.61 -0.17 0.00 -0.61 0.00 0.00 39.78 34.89 3kni n ASN 50 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 3kni s VAL 51 N -3.30 0.65 0.09 2.41 1.01 -1.25 -2.28 120.40 117.74 3kni s VAL 51 Ca 0.61 -0.07 0.03 0.00 0.00 0.00 0.00 61.98 62.55 3kni s VAL 51 Cb -0.28 -0.74 -0.04 0.00 0.00 0.00 0.00 36.38 35.32 3kni s VAL 51 CO 0.75 0.30 0.13 -0.83 0.00 0.00 0.00 175.10 175.45 3kni s GLY 52 N 1.76 1.98 -0.06 4.51 0.00 0.29 -4.48 107.32 111.32 3kni s GLY 52 Ca 0.03 -1.02 0.00 0.00 0.00 0.00 0.00 44.72 43.74 3kni s GLY 52 CO -0.06 -1.00 -0.04 -0.29 0.00 0.00 0.00 173.10 171.71 3kni s MET 53 N -2.59 0.90 0.26 2.90 -2.45 -1.25 0.17 119.30 117.25 3kni s MET 53 Ca 0.31 -0.09 0.06 0.00 -1.25 0.00 0.00 55.69 54.71 3kni s MET 53 Cb -0.12 -0.97 -0.03 0.00 1.25 0.00 0.00 34.83 34.97 3kni s MET 53 CO 0.24 -0.14 0.37 0.20 1.05 0.00 0.00 175.02 176.74 3kni s GLY 54 N 1.20 1.32 0.00 2.11 0.00 -0.23 -4.89 107.32 106.83 3kni s GLY 54 Ca -0.06 -1.30 0.00 0.00 0.00 0.00 0.00 44.72 43.35 3kni s GLY 54 CO -0.02 -1.30 0.00 0.54 0.00 0.00 0.00 173.10 172.32 3kni n ARG 55 N -1.44 0.00 0.00 2.90 1.74 -1.26 0.28 116.66 118.88 3kni n ARG 55 Ca -0.07 0.00 0.12 0.00 -0.77 0.00 0.00 57.85 57.13 3kni n ARG 55 Cb 0.57 0.00 0.20 0.00 -1.02 0.00 0.00 32.46 32.21 3kni n ARG 55 CO 0.00 0.00 0.00 -0.40 -1.52 0.00 0.00 177.63 175.71 3kni n ASP 56 N -2.39 1.55 0.00 0.55 3.85 -1.26 -4.93 116.55 113.92 3kni n ASP 56 Ca 0.00 -1.23 0.00 0.00 -0.71 0.00 0.00 54.79 52.85 3kni n ASP 56 Cb 0.00 0.29 0.00 0.00 -1.35 0.00 0.00 41.12 40.06 3kni n ASP 56 CO 0.00 0.00 0.00 0.49 -1.01 0.00 0.00 177.20 176.68 3kni n PHE 57 N -0.29 0.00 -1.67 2.11 3.72 0.80 -4.63 117.46 117.50 3kni n PHE 57 Ca 0.11 0.00 -0.43 0.00 -0.05 0.00 0.00 57.45 57.08 3kni n PHE 57 Cb 0.41 0.00 -0.03 0.00 -0.94 0.00 0.00 39.48 38.92 3kni n PHE 57 CO 0.00 0.00 0.00 2.41 -0.05 0.00 0.00 176.76 179.12 3kni n THR 58 N -2.07 0.58 -3.10 4.37 -1.04 -1.09 -4.63 114.28 107.29 3kni n THR 58 Ca 0.00 -0.10 -0.39 0.00 -2.04 0.00 0.00 64.05 61.51 3kni n THR 58 Cb 0.00 -2.17 -0.05 0.00 -1.82 0.00 0.00 70.33 66.29 3kni n THR 58 CO 0.00 0.00 0.00 -0.76 -0.64 0.00 0.00 175.07 173.67 3kni s LEU 59 N 3.68 4.36 -0.07 -4.42 1.43 -0.07 -1.07 118.68 122.52 3kni s LEU 59 Ca 0.87 1.19 -0.07 0.00 -1.03 0.00 0.00 54.13 55.09 3kni s LEU 59 Cb -0.49 -3.03 0.02 0.00 0.03 0.00 0.00 46.19 42.72 3kni s LEU 59 CO 0.41 -0.02 0.20 0.72 0.23 0.00 0.00 176.35 177.89 3kni s PHE 60 N 0.35 -0.22 0.41 0.29 -0.12 0.46 0.87 117.98 120.04 3kni s PHE 60 Ca 0.35 0.54 -0.25 0.00 -0.05 0.00 0.00 56.93 57.51 3kni s PHE 60 Cb -0.18 0.07 -0.08 0.00 -0.63 0.00 0.00 43.02 42.19 3kni s PHE 60 CO 0.18 -0.11 1.22 0.00 -0.05 0.00 0.00 175.22 176.45 3kni s ALA 61 N 0.21 3.15 -0.42 1.99 0.00 -0.25 0.10 121.76 126.55 3kni s ALA 61 Ca -0.01 1.06 0.22 0.00 0.00 0.00 0.00 51.96 53.23 3kni s ALA 61 Cb -0.02 -3.42 -0.22 0.00 0.00 0.00 0.00 23.12 19.46 3kni s ALA 61 CO -0.01 -0.67 0.73 1.28 0.00 0.00 0.00 175.76 177.10 3kni n LEU 62 N -0.02 0.43 -3.67 0.00 4.77 -0.97 -1.49 117.00 116.06 3kni n LEU 62 Ca 0.05 -0.12 -0.13 0.00 -0.03 0.00 0.00 56.01 55.78 3kni n LEU 62 Cb 0.46 -0.02 -0.07 0.00 -2.33 0.00 0.00 43.42 41.46 3kni n LEU 62 CO 0.52 0.07 0.14 0.68 -1.33 0.00 0.00 177.39 177.47 3kni s VAL 63 N -3.31 0.06 0.29 4.08 -7.23 -1.26 -4.75 120.40 108.28 3kni s VAL 63 Ca -0.01 -0.47 -0.29 0.00 -1.81 0.00 0.00 61.98 59.40 3kni s VAL 63 Cb 0.14 -0.93 -0.10 0.00 0.56 0.00 0.00 36.38 36.05 3kni s VAL 63 CO 0.87 -0.26 1.43 -1.81 -0.31 0.00 0.00 175.10 175.03 3kni s ASP 64 N -1.95 6.60 0.00 4.85 1.11 -1.26 -4.09 116.67 121.93 3kni s ASP 64 Ca -0.06 2.76 0.00 0.00 0.18 0.00 0.00 52.55 55.43 3kni s ASP 64 Cb -0.01 -2.64 0.00 0.00 1.07 0.00 0.00 42.92 41.34 3kni s ASP 64 CO -0.02 -0.71 0.00 0.61 1.18 0.00 0.00 175.17 176.23 3kni n GLY 65 N 1.62 0.43 3.83 0.21 0.00 -1.25 -4.37 105.19 105.66 3kni n GLY 65 Ca 0.04 -1.17 -0.34 0.00 0.00 0.00 0.00 46.02 44.55 3kni n GLY 65 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3kni s VAL 66 N -2.00 4.55 0.43 1.61 1.01 0.60 -2.82 120.40 123.78 3kni s VAL 66 Ca 0.00 1.24 -0.06 0.00 0.00 0.00 0.00 61.98 63.16 3kni s VAL 66 Cb 0.00 -3.73 -0.04 0.00 0.00 0.00 0.00 36.38 32.60 3kni s VAL 66 CO 0.00 -0.04 0.74 -0.69 0.00 0.00 0.00 175.10 175.10 3kni s VAL 67 N -1.82 4.92 -0.26 2.92 1.01 -1.21 0.12 120.40 126.07 3kni s VAL 67 Ca 0.51 0.20 -0.26 0.00 0.00 0.00 0.00 61.98 62.43 3kni s VAL 67 Cb -0.13 -3.83 0.11 0.00 0.00 0.00 0.00 36.38 32.53 3kni s VAL 67 CO 0.19 -0.70 0.93 -1.83 0.00 0.00 0.00 175.10 173.68 3kni s GLU 68 N -4.41 0.63 0.00 2.72 -1.05 0.13 -2.42 118.70 114.30 3kni s GLU 68 Ca 0.47 0.65 0.00 0.00 -0.15 0.00 0.00 54.97 55.94 3kni s GLU 68 Cb -0.10 0.31 0.00 0.00 -0.44 0.00 0.00 34.13 33.89 3kni s GLU 68 CO 0.40 -0.10 0.00 1.19 0.95 0.00 0.00 175.26 177.70 3kni n PHE 69 N 2.14 -2.58 -3.70 4.83 3.01 -1.26 0.13 117.46 120.03 3kni n PHE 69 Ca -0.13 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.33 3kni n PHE 69 Cb 0.56 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 40.03 3kni n PHE 69 CO 0.00 0.00 0.00 0.94 1.01 0.00 0.00 176.76 178.71 3kni n GLN 70 N -0.80 0.02 -2.68 -1.08 7.27 -0.14 -4.75 117.38 115.23 3kni n GLN 70 Ca 0.00 -0.07 -0.05 0.00 0.07 0.00 0.00 57.00 56.95 3kni n GLN 70 Cb 0.00 0.11 0.08 0.00 2.41 0.00 0.00 30.24 32.84 3kni n GLN 70 CO 0.00 0.00 0.00 -3.47 0.07 0.00 0.00 177.06 173.66 3kni n ASP 71 N -0.37 -1.51 -3.94 1.69 -0.08 -1.26 -3.80 116.55 107.27 3kni n ASP 71 Ca 0.00 -2.07 -0.32 0.00 -1.51 0.00 0.00 54.79 50.89 3kni n ASP 71 Cb 0.04 1.02 -0.12 0.00 2.34 0.00 0.00 41.12 44.40 3kni n ASP 71 CO 0.00 0.00 0.00 0.54 0.12 0.00 0.00 177.20 177.86 3kni n ARG 72 N 1.18 0.04 0.00 -0.67 5.12 -1.17 -4.81 116.66 116.37 3kni n ARG 72 Ca 0.00 -1.30 0.00 0.00 -1.93 0.00 0.00 57.85 54.63 3kni n ARG 72 Cb 0.71 -3.10 0.00 0.00 -1.16 0.00 0.00 32.46 28.91 3kni n ARG 72 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 3kni n GLY 73 N 5.47 0.45 2.68 -0.13 0.00 -1.26 -1.67 105.19 110.73 3kni n GLY 73 Ca 0.45 -0.63 -0.10 0.00 0.00 0.00 0.00 46.02 45.74 3kni n GLY 73 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3kni n ARG 74 N 0.00 1.01 -1.07 1.61 1.74 -1.26 -2.55 116.66 116.14 3kni n ARG 74 Ca 0.00 -0.85 0.01 0.00 -0.77 0.00 0.00 57.85 56.24 3kni n ARG 74 Cb 0.00 -2.10 0.00 0.00 -1.02 0.00 0.00 32.46 29.34 3kni n ARG 74 CO 0.00 0.00 0.00 -0.11 -1.52 0.00 0.00 177.63 176.00 3kni n LEU 75 N 4.15 0.37 -0.52 0.55 0.00 -0.67 -5.13 117.00 115.76 3kni n LEU 75 Ca 0.22 -1.63 0.05 0.00 0.00 0.00 0.00 56.01 54.64 3kni n LEU 75 Cb 0.12 0.00 -0.03 0.00 0.00 0.00 0.00 43.42 43.52 3kni n LEU 75 CO 0.51 0.60 -0.21 0.61 0.00 0.00 0.00 177.39 178.89 3kni n GLY 76 N 0.25 -2.98 3.83 -3.96 0.00 -1.06 -4.79 105.19 96.48 3kni n GLY 76 Ca -0.01 -1.27 -0.38 0.00 0.00 0.00 0.00 46.02 44.37 3kni n GLY 76 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3kni s ARG 77 N -3.72 3.92 -0.00 1.61 0.52 -1.26 -3.02 118.95 117.00 3kni s ARG 77 Ca 0.00 0.35 0.05 0.00 -0.52 0.00 0.00 55.73 55.62 3kni s ARG 77 Cb 0.00 -3.24 -0.03 0.00 0.52 0.00 0.00 34.95 32.20 3kni s ARG 77 CO 0.00 0.64 -0.16 0.71 0.02 0.00 0.00 175.30 176.51 3kni s TYR 78 N -0.88 2.64 -0.20 -0.53 1.51 -1.25 -1.44 117.35 117.20 3kni s TYR 78 Ca 0.23 -0.20 -0.08 0.00 -1.01 0.00 0.00 57.07 56.01 3kni s TYR 78 Cb -0.16 -1.55 -0.04 0.00 -0.11 0.00 0.00 41.96 40.10 3kni s TYR 78 CO 0.12 0.22 0.07 0.08 -1.11 0.00 0.00 175.55 174.93 3kni s VAL 79 N -0.84 4.72 0.30 0.71 1.01 -0.96 -0.97 120.40 124.37 3kni s VAL 79 Ca 0.13 -0.05 0.11 0.00 0.00 0.00 0.00 61.98 62.17 3kni s VAL 79 Cb -0.11 -3.15 -0.06 0.00 0.00 0.00 0.00 36.38 33.07 3kni s VAL 79 CO 0.03 0.42 -0.16 -1.00 0.00 0.00 0.00 175.10 174.39 3kni s HIS 80 N 0.75 2.34 -0.53 5.22 3.76 0.35 0.86 115.29 128.03 3kni s HIS 80 Ca 0.04 -0.39 0.06 0.00 -0.15 0.00 0.00 55.06 54.62 3kni s HIS 80 Cb -0.13 -1.13 0.21 0.00 1.11 0.00 0.00 32.58 32.63 3kni s HIS 80 CO 0.02 0.67 0.52 0.28 -0.85 0.00 0.00 174.74 175.38 3kni n VAL 81 N -0.69 0.46 -1.88 -0.90 0.31 -0.51 0.18 118.33 115.31 3kni n VAL 81 Ca -0.05 -4.35 -0.42 0.00 -0.01 0.00 0.00 64.34 59.51 3kni n VAL 81 Cb 0.61 -1.97 -0.03 0.00 -0.91 0.00 0.00 33.84 31.55 3kni n VAL 81 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3kni s ARG 82 N -1.23 4.19 0.00 5.55 1.70 0.31 -4.60 118.95 124.87 3kni s ARG 82 Ca 0.33 2.40 0.00 0.00 -0.47 0.00 0.00 55.73 57.99 3kni s ARG 82 Cb 0.08 -3.45 0.00 0.00 -0.57 0.00 0.00 34.95 31.00 3kni s ARG 82 CO -0.13 -0.72 0.00 -0.35 -1.08 0.00 0.00 175.30 173.02 3kni n PRO 83 N 5.10 0.84 -4.20 3.89 -0.04 -1.26 0.22 135.00 139.55 3kni n PRO 83 Ca 0.16 0.00 -0.12 0.00 -0.04 0.00 0.00 63.50 63.50 3kni n PRO 83 Cb 0.39 0.00 -0.10 0.00 -0.04 0.00 0.00 33.50 33.75 3kni n PRO 83 CO 0.00 0.00 0.00 -0.48 -0.04 0.00 0.00 175.50 174.98 3kni s LEU 84 N 0.00 1.35 0.00 1.53 0.05 -1.26 -4.37 118.68 115.98 3kni s LEU 84 Ca 0.00 -1.34 0.30 0.00 0.05 0.00 0.00 54.13 53.13 3kni s LEU 84 Cb 0.00 0.32 1.46 0.00 -2.05 0.00 0.00 46.19 45.92 3kni s LEU 84 CO 0.00 -0.80 1.98 0.00 -0.55 0.00 0.00 176.35 176.98