#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kai s ILE 17 N 0.00 4.60 0.00 1.39 2.07 -1.26 -4.24 121.20 123.75 2kai s ILE 17 Ca 0.00 1.37 0.00 0.00 -1.41 0.00 0.00 60.65 60.61 2kai s ILE 17 Cb 0.00 -4.33 0.00 0.00 0.13 0.00 0.00 42.46 38.26 2kai s ILE 17 CO 0.00 -0.47 0.00 0.61 -1.91 0.00 0.00 174.94 173.17 2kai n GLY 18 N 4.19 0.93 0.00 1.50 0.00 -1.26 -5.09 105.19 105.46 2kai n GLY 18 Ca 0.08 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.10 2kai n GLY 18 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2kai n GLY 19 N -0.69 2.65 3.59 -0.02 0.00 -1.26 -5.17 105.19 104.28 2kai n GLY 19 Ca 0.00 -2.05 -0.10 0.00 0.00 0.00 0.00 46.02 43.88 2kai n GLY 19 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 2kai s ARG 20 N 2.39 1.62 0.20 1.61 1.70 -1.26 -5.13 118.95 120.08 2kai s ARG 20 Ca 0.00 -1.32 -0.31 0.00 -0.47 0.00 0.00 55.73 53.63 2kai s ARG 20 Cb 0.00 0.47 -0.10 0.00 -0.57 0.00 0.00 34.95 34.75 2kai s ARG 20 CO 0.00 -0.68 1.50 -2.00 -1.08 0.00 0.00 175.30 173.04 2kai s GLU 21 N -3.82 4.24 0.96 3.89 2.12 -1.26 -4.99 118.70 119.84 2kai s GLU 21 Ca 0.23 2.32 -0.12 0.00 0.36 0.00 0.00 54.97 57.76 2kai s GLU 21 Cb -0.01 -3.14 0.17 0.00 0.26 0.00 0.00 34.13 31.41 2kai s GLU 21 CO 0.11 -0.52 1.09 0.00 -0.54 0.00 0.00 175.26 175.40 2kai s GLU 23 N -4.96 4.53 0.47 0.00 2.02 -1.26 -4.89 118.70 114.61 2kai s GLU 23 Ca 0.65 1.18 0.38 0.00 0.02 0.00 0.00 54.97 57.19 2kai s GLU 23 Cb -0.18 -3.42 1.56 0.00 0.10 0.00 0.00 34.13 32.18 2kai s GLU 23 CO 0.57 0.10 1.55 1.63 0.02 0.00 0.00 175.26 179.13 2kai n LYS 24 N 3.46 -0.02 0.01 1.61 4.01 -1.26 -1.33 118.16 124.63 2kai n LYS 24 Ca 0.01 1.19 -0.18 0.00 -0.51 0.00 0.00 58.31 58.83 2kai n LYS 24 Cb 0.51 -2.46 -0.12 0.00 -0.51 0.00 0.00 35.03 32.45 2kai n LYS 24 CO 0.00 0.00 0.00 -0.91 -1.11 0.00 0.00 177.40 175.38 2kai h ASN 25 N 0.00 0.48 0.00 4.39 4.21 -2.04 -3.40 115.58 119.22 2kai h ASN 25 Ca 0.89 -0.80 0.00 0.00 1.21 0.00 0.00 56.30 57.60 2kai h ASN 25 Cb 3.12 -0.15 0.00 0.00 -1.12 0.00 0.00 38.32 40.17 2kai h ASN 25 CO -0.32 1.22 0.00 -1.54 -1.29 0.00 0.00 177.43 175.50 2kai n SER 26 N -4.24 0.40 -2.69 5.81 3.41 -0.45 -4.23 113.62 111.64 2kai n SER 26 Ca -0.11 -0.82 -0.08 0.00 -0.26 0.00 0.00 58.87 57.61 2kai n SER 26 Cb 0.68 -0.20 0.09 0.00 -0.26 0.00 0.00 64.21 64.52 2kai n SER 26 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2kai n HIS 27 N 0.28 -1.41 0.75 7.33 1.44 -1.26 -4.92 115.22 117.43 2kai n HIS 27 Ca 0.00 -2.17 0.09 0.00 -2.01 0.00 0.00 57.72 53.63 2kai n HIS 27 Cb 0.10 1.03 0.42 0.00 0.12 0.00 0.00 29.99 31.66 2kai n HIS 27 CO 0.00 0.00 0.00 -0.35 -2.81 0.00 0.00 176.34 173.18 2kai n PRO 28 N -0.45 0.15 0.02 -1.40 -0.04 -1.26 -1.96 135.00 130.06 2kai n PRO 28 Ca 0.00 0.15 0.11 0.00 -0.04 0.00 0.00 63.50 63.72 2kai n PRO 28 Cb 0.84 -1.50 0.02 0.00 -0.04 0.00 0.00 33.50 32.82 2kai n PRO 28 CO 0.00 0.00 0.00 -2.67 -0.04 0.00 0.00 175.50 172.79 2kai n TRP 29 N -1.38 0.20 -2.44 0.54 4.27 -1.26 -4.73 117.44 112.64 2kai n TRP 29 Ca 0.07 0.06 -0.42 0.00 -3.89 0.00 0.00 57.50 53.31 2kai n TRP 29 Cb 0.17 -0.37 -0.03 0.00 -1.36 0.00 0.00 31.31 29.73 2kai n TRP 29 CO 0.00 0.00 0.00 -1.14 -2.29 0.00 0.00 177.69 174.26 2kai s GLN 30 N -3.17 4.31 -0.16 -2.67 2.00 -0.83 -1.02 119.66 118.13 2kai s GLN 30 Ca 0.04 1.67 -0.04 0.00 -2.00 0.00 0.00 55.36 55.04 2kai s GLN 30 Cb 0.15 -3.63 -0.03 0.00 0.80 0.00 0.00 33.01 30.30 2kai s GLN 30 CO 0.81 -0.54 -0.03 0.08 -0.50 0.00 0.00 175.29 175.12 2kai s VAL 31 N 2.64 4.01 -0.33 1.34 1.01 0.20 -4.37 120.40 124.91 2kai s VAL 31 Ca 0.56 -0.32 -0.22 0.00 0.00 0.00 0.00 61.98 61.99 2kai s VAL 31 Cb -0.24 -2.76 0.00 0.00 0.00 0.00 0.00 36.38 33.38 2kai s VAL 31 CO 0.20 0.49 0.74 0.00 0.00 0.00 0.00 175.10 176.53 2kai s ALA 32 N 0.32 3.49 -0.46 5.51 0.00 -0.40 -1.49 121.76 128.73 2kai s ALA 32 Ca -0.03 -0.58 -0.13 0.00 0.00 0.00 0.00 51.96 51.22 2kai s ALA 32 Cb -0.14 -3.27 0.08 0.00 0.00 0.00 0.00 23.12 19.80 2kai s ALA 32 CO 0.03 -1.28 0.36 0.42 0.00 0.00 0.00 175.76 175.28 2kai s ILE 33 N 2.91 4.81 0.54 0.00 1.01 0.86 -1.17 121.20 130.16 2kai s ILE 33 Ca 0.30 -1.28 -0.00 0.00 0.00 0.00 0.00 60.65 59.67 2kai s ILE 33 Cb -0.14 -3.94 0.02 0.00 0.01 0.00 0.00 42.46 38.42 2kai s ILE 33 CO 0.14 -0.60 0.77 -0.31 0.00 0.00 0.00 174.94 174.94 2kai s TYR 34 N 1.54 3.00 -0.22 3.97 2.02 -0.26 -2.53 117.35 124.87 2kai s TYR 34 Ca 0.04 0.14 -0.01 0.00 -0.37 0.00 0.00 57.07 56.87 2kai s TYR 34 Cb -0.25 -2.66 0.06 0.00 -0.40 0.00 0.00 41.96 38.72 2kai s TYR 34 CO 0.04 -0.76 -0.01 -1.58 -1.57 0.00 0.00 175.55 171.67 2kai s HIS 35 N -2.76 1.76 -1.38 2.71 5.65 0.22 -1.47 115.29 120.03 2kai s HIS 35 Ca 0.55 -1.35 -0.07 0.00 0.25 0.00 0.00 55.06 54.43 2kai s HIS 35 Cb -0.10 -1.34 0.05 0.00 -1.18 0.00 0.00 32.58 30.00 2kai s HIS 35 CO 0.39 -0.70 0.53 0.66 -0.65 0.00 0.00 174.74 174.97 2kai n TYR 36 N 4.85 -1.86 -3.24 3.88 0.53 -1.26 -1.06 117.16 118.99 2kai n TYR 36 Ca -0.10 0.49 -0.15 0.00 -1.02 0.00 0.00 57.90 57.11 2kai n TYR 36 Cb 0.45 -3.53 0.08 0.00 -1.03 0.00 0.00 39.34 35.31 2kai n TYR 36 CO 0.00 0.00 0.00 0.43 -1.02 0.00 0.00 176.86 176.27 2kai n SER 38 N -2.37 -2.97 -3.73 7.72 7.64 -1.26 -5.04 113.62 113.60 2kai n SER 38 Ca -0.05 -0.58 -0.14 0.00 1.01 0.00 0.00 58.87 59.11 2kai n SER 38 Cb 0.57 -4.69 -0.14 0.00 -1.01 0.00 0.00 64.21 58.94 2kai n SER 38 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 2kai s SER 39 N -4.03 0.03 0.06 6.43 0.15 -0.22 -5.15 113.70 110.97 2kai s SER 39 Ca 0.09 0.33 -0.30 0.00 0.70 0.00 0.00 55.95 56.77 2kai s SER 39 Cb -0.01 0.22 -0.05 0.00 -1.71 0.00 0.00 66.02 64.47 2kai s SER 39 CO 0.66 -0.17 1.11 0.12 1.20 0.00 0.00 173.24 176.16 2kai s PHE 40 N 1.38 3.55 -0.06 3.44 5.36 -1.26 0.70 117.98 131.09 2kai s PHE 40 Ca -0.07 1.49 -0.10 0.00 -0.96 0.00 0.00 56.93 57.29 2kai s PHE 40 Cb -0.12 -3.29 -0.03 0.00 -0.34 0.00 0.00 43.02 39.24 2kai s PHE 40 CO -0.06 -0.73 -0.19 1.04 -1.46 0.00 0.00 175.22 173.81 2kai n GLN 41 N 3.62 0.29 -4.04 10.12 6.02 -1.07 -4.90 117.38 127.42 2kai n GLN 41 Ca 0.07 0.12 -0.11 0.00 -0.01 0.00 0.00 57.00 57.06 2kai n GLN 41 Cb 0.48 -1.00 -0.05 0.00 1.02 0.00 0.00 30.24 30.69 2kai n GLN 41 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 2kai s GLY 43 N -3.10 1.88 0.01 0.00 0.00 -1.26 -0.10 107.32 104.74 2kai s GLY 43 Ca 0.27 -1.93 -0.29 0.00 0.00 0.00 0.00 44.72 42.77 2kai s GLY 43 CO 0.13 -1.68 1.04 -0.32 0.00 0.00 0.00 173.10 172.27 2kai s GLY 44 N -4.52 -0.36 -0.03 0.20 0.00 -0.55 -4.63 107.32 97.44 2kai s GLY 44 Ca 0.56 0.80 0.04 0.00 0.00 0.00 0.00 44.72 46.13 2kai s GLY 44 CO 0.35 0.23 -0.15 0.14 0.00 0.00 0.00 173.10 173.68 2kai s VAL 45 N -2.92 3.04 -0.74 1.40 1.01 -0.07 0.62 120.40 122.75 2kai s VAL 45 Ca 0.10 -0.83 -0.26 0.00 0.00 0.00 0.00 61.98 60.98 2kai s VAL 45 Cb -0.00 -2.22 0.01 0.00 0.00 0.00 0.00 36.38 34.17 2kai s VAL 45 CO -0.04 0.52 1.51 -0.22 0.00 0.00 0.00 175.10 176.87 2kai s LEU 46 N -0.94 3.23 0.17 3.92 2.96 -0.19 -0.24 118.68 127.58 2kai s LEU 46 Ca 0.13 -0.33 0.08 0.00 -0.22 0.00 0.00 54.13 53.78 2kai s LEU 46 Cb -0.11 -2.55 -0.03 0.00 0.50 0.00 0.00 46.19 44.00 2kai s LEU 46 CO 0.02 -2.02 1.38 0.58 -1.32 0.00 0.00 176.35 174.99 2kai h VAL 47 N 6.43 1.62 -2.33 1.68 2.07 -1.40 -3.47 116.25 120.86 2kai h VAL 47 Ca -0.20 -3.00 -0.08 0.00 0.82 0.00 0.00 66.70 64.24 2kai h VAL 47 Cb 1.08 2.62 -0.19 0.00 -1.52 0.00 0.00 31.29 33.28 2kai h VAL 47 CO 1.27 0.86 0.04 0.21 0.02 0.00 0.00 177.57 179.97 2kai s ASN 48 N -6.77 -0.51 0.00 0.57 2.47 -0.85 -4.95 114.94 104.90 2kai s ASN 48 Ca 0.00 0.52 0.00 0.00 0.42 0.00 0.00 52.86 53.80 2kai s ASN 48 Cb 0.11 0.47 0.00 0.00 -1.45 0.00 0.00 41.25 40.37 2kai s ASN 48 CO 0.80 -0.56 0.87 -2.65 -3.72 0.00 0.00 177.10 171.84 2kai n PRO 49 N 1.03 0.00 -0.00 0.43 -0.02 -1.26 -0.64 135.00 134.53 2kai n PRO 49 Ca -0.20 0.37 0.05 0.00 -2.02 0.00 0.00 63.50 61.70 2kai n PRO 49 Cb 0.57 -1.63 -0.07 0.00 -0.02 0.00 0.00 33.50 32.35 2kai n PRO 49 CO 0.00 0.00 0.00 1.17 1.98 0.00 0.00 175.50 178.65 2kai n LYS 50 N -1.37 2.59 -5.10 -0.52 4.81 -1.26 -5.02 118.16 112.29 2kai n LYS 50 Ca 0.00 -0.03 -0.29 0.00 -0.87 0.00 0.00 58.31 57.12 2kai n LYS 50 Cb 0.13 -1.08 -0.16 0.00 0.02 0.00 0.00 35.03 33.94 2kai n LYS 50 CO 0.00 0.00 0.00 -1.58 1.17 0.00 0.00 177.40 176.99 2kai s TRP 51 N -2.22 2.16 -0.17 5.64 0.52 0.18 -5.08 118.94 119.97 2kai s TRP 51 Ca 0.02 -0.64 0.01 0.00 0.02 0.00 0.00 56.10 55.51 2kai s TRP 51 Cb 0.08 -1.43 0.02 0.00 -1.15 0.00 0.00 33.47 30.99 2kai s TRP 51 CO 0.45 -0.20 -0.19 0.08 0.02 0.00 0.00 176.95 177.10 2kai s VAL 52 N -0.08 1.98 -0.25 4.03 1.01 -1.26 -0.96 120.40 124.87 2kai s VAL 52 Ca -0.04 -0.89 -0.07 0.00 0.00 0.00 0.00 61.98 60.98 2kai s VAL 52 Cb -0.13 -1.80 -0.03 0.00 0.00 0.00 0.00 36.38 34.43 2kai s VAL 52 CO 0.03 0.53 0.06 -0.22 0.00 0.00 0.00 175.10 175.50 2kai s LEU 53 N 1.30 3.41 0.00 3.92 2.96 0.66 -4.91 118.68 126.02 2kai s LEU 53 Ca 0.04 -0.21 0.00 0.00 -0.22 0.00 0.00 54.13 53.74 2kai s LEU 53 Cb -0.13 -1.91 0.00 0.00 0.50 0.00 0.00 46.19 44.65 2kai s LEU 53 CO -0.12 -0.03 0.00 1.07 -1.32 0.00 0.00 176.35 175.95 2kai n THR 54 N 4.88 0.00 -3.62 3.68 5.66 -1.26 -0.89 114.28 122.73 2kai n THR 54 Ca -0.16 0.00 -0.37 0.00 -3.05 0.00 0.00 64.05 60.47 2kai n THR 54 Cb 0.51 0.00 -0.06 0.00 -1.55 0.00 0.00 70.33 69.23 2kai n THR 54 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 2kai s ALA 55 N -2.00 3.71 0.56 1.79 0.00 -1.26 -4.99 121.76 119.58 2kai s ALA 55 Ca 0.00 -0.41 0.28 0.00 0.00 0.00 0.00 51.96 51.83 2kai s ALA 55 Cb 0.00 -2.27 1.72 0.00 0.00 0.00 0.00 23.12 22.57 2kai s ALA 55 CO 0.00 0.39 2.22 0.00 0.00 0.00 0.00 175.76 178.38 2kai h ALA 56 N 5.42 1.56 0.00 0.00 0.00 -1.99 -0.01 119.26 124.24 2kai h ALA 56 Ca -0.49 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.40 2kai h ALA 56 Cb 1.20 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.99 2kai h ALA 56 CO 0.65 0.02 0.00 -2.39 0.00 0.00 0.00 179.25 177.53 2kai n HIS 57 N -3.91 0.00 -0.34 0.00 1.44 -1.26 -1.47 115.22 109.67 2kai n HIS 57 Ca -0.03 0.00 0.09 0.00 -2.01 0.00 0.00 57.72 55.77 2kai n HIS 57 Cb 0.10 0.00 0.27 0.00 0.12 0.00 0.00 29.99 30.47 2kai n HIS 57 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 2kai s LYS 59 N -1.12 3.82 0.19 0.00 2.20 -0.54 -4.98 119.74 119.30 2kai s LYS 59 Ca 0.40 1.74 -0.12 0.00 -0.36 0.00 0.00 55.97 57.63 2kai s LYS 59 Cb 0.22 -4.04 0.00 0.00 -1.51 0.00 0.00 37.83 32.50 2kai s LYS 59 CO 0.26 -1.27 0.39 0.54 -0.36 0.00 0.00 175.35 174.91 2kai s ASN 60 N 4.27 -0.07 0.00 1.43 6.03 -1.26 -5.08 114.94 120.26 2kai s ASN 60 Ca 0.73 -0.78 0.18 0.00 -1.03 0.00 0.00 52.86 51.96 2kai s ASN 60 Cb -0.26 0.50 1.02 0.00 -3.03 0.00 0.00 41.25 39.48 2kai s ASN 60 CO 0.29 -0.99 1.53 -0.90 -2.03 0.00 0.00 177.10 175.01 2kai n ASP 61 N -0.28 0.00 -3.63 3.54 5.75 -1.26 -4.71 116.55 115.95 2kai n ASP 61 Ca -0.07 -0.30 -0.11 0.00 -0.01 0.00 0.00 54.79 54.30 2kai n ASP 61 Cb 0.63 -0.13 -0.07 0.00 -1.03 0.00 0.00 41.12 40.51 2kai n ASP 61 CO 0.00 0.00 0.00 0.21 -0.11 0.00 0.00 177.20 177.30 2kai s ASN 62 N -2.27 -0.57 -0.01 -1.12 3.04 -1.26 -5.15 114.94 107.61 2kai s ASN 62 Ca 0.23 1.07 0.03 0.00 0.04 0.00 0.00 52.86 54.23 2kai s ASN 62 Cb 0.13 1.08 -0.01 0.00 -1.54 0.00 0.00 41.25 40.91 2kai s ASN 62 CO 0.24 -0.21 -0.08 -0.31 -3.04 0.00 0.00 177.10 173.70 2kai s TYR 63 N 0.20 0.74 -0.18 0.43 1.51 -1.26 -4.48 117.35 114.31 2kai s TYR 63 Ca 0.01 -0.14 0.01 0.00 -1.01 0.00 0.00 57.07 55.94 2kai s TYR 63 Cb -0.05 -0.48 0.03 0.00 -0.11 0.00 0.00 41.96 41.35 2kai s TYR 63 CO -0.03 -0.02 -0.15 -1.21 -1.11 0.00 0.00 175.55 173.04 2kai s GLU 64 N -0.17 2.42 -0.26 -0.62 8.01 -0.54 -4.10 118.70 123.43 2kai s GLU 64 Ca 0.03 -0.76 -0.16 0.00 0.01 0.00 0.00 54.97 54.08 2kai s GLU 64 Cb -0.03 -2.37 -0.03 0.00 -4.31 0.00 0.00 34.13 27.39 2kai s GLU 64 CO -0.00 -0.30 0.45 0.08 0.01 0.00 0.00 175.26 175.49 2kai s VAL 65 N 1.38 5.12 -0.14 2.63 1.01 0.22 -1.10 120.40 129.53 2kai s VAL 65 Ca 0.02 0.73 -0.03 0.00 0.00 0.00 0.00 61.98 62.71 2kai s VAL 65 Cb -0.14 -3.77 -0.03 0.00 0.00 0.00 0.00 36.38 32.45 2kai s VAL 65 CO -0.10 0.13 -0.05 0.26 0.00 0.00 0.00 175.10 175.33 2kai s TRP 66 N 2.15 3.00 0.05 5.22 0.52 -0.32 -1.18 118.94 128.38 2kai s TRP 66 Ca 0.18 -0.27 0.05 0.00 0.02 0.00 0.00 56.10 56.07 2kai s TRP 66 Cb -0.16 -1.91 -0.04 0.00 -1.15 0.00 0.00 33.47 30.21 2kai s TRP 66 CO 0.09 0.01 -0.05 -0.51 0.02 0.00 0.00 176.95 176.51 2kai s LEU 67 N 0.18 3.24 -1.35 2.99 1.02 0.21 -1.28 118.68 123.70 2kai s LEU 67 Ca -0.02 -0.21 -0.04 0.00 0.02 0.00 0.00 54.13 53.88 2kai s LEU 67 Cb -0.14 -1.94 0.02 0.00 0.02 0.00 0.00 46.19 44.15 2kai s LEU 67 CO 0.03 0.23 0.82 0.61 0.02 0.00 0.00 176.35 178.05 2kai n GLY 69 N 1.06 -0.36 3.61 -3.19 0.00 -1.26 0.00 105.19 105.05 2kai n GLY 69 Ca -0.14 0.15 -0.25 0.00 0.00 0.00 0.00 46.02 45.78 2kai n GLY 69 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2kai s ARG 70 N -6.10 2.19 0.00 1.61 0.52 -1.26 -3.13 118.95 112.78 2kai s ARG 70 Ca 0.19 -1.30 0.00 0.00 -0.52 0.00 0.00 55.73 54.10 2kai s ARG 70 Cb -0.09 -2.19 0.00 0.00 0.52 0.00 0.00 34.95 33.19 2kai s ARG 70 CO 0.81 0.41 0.00 1.58 0.02 0.00 0.00 175.30 178.12 2kai n HIS 71 N -0.33 0.00 -3.72 -0.53 -0.00 -1.26 -4.96 115.22 104.42 2kai n HIS 71 Ca -0.09 0.00 -0.38 0.00 -0.00 0.00 0.00 57.72 57.25 2kai n HIS 71 Cb 0.57 0.09 -0.11 0.00 -0.00 0.00 0.00 29.99 30.53 2kai n HIS 71 CO 0.00 0.00 0.00 1.21 -0.00 0.00 0.00 176.34 177.55 2kai s ASN 72 N -4.47 5.37 0.25 0.26 2.47 -1.26 -4.98 114.94 112.58 2kai s ASN 72 Ca 0.00 -1.59 -0.03 0.00 0.42 0.00 0.00 52.86 51.66 2kai s ASN 72 Cb 0.00 -1.88 0.46 0.00 -1.45 0.00 0.00 41.25 38.38 2kai s ASN 72 CO 0.00 -0.47 1.79 -0.07 -3.72 0.00 0.00 177.10 174.63 2kai h LEU 73 N 8.21 0.63 -1.63 3.21 3.38 -2.03 -3.03 115.31 124.05 2kai h LEU 73 Ca -0.20 0.07 0.00 0.00 0.09 0.00 0.00 57.88 57.84 2kai h LEU 73 Cb 1.07 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 41.77 2kai h LEU 73 CO 0.69 0.32 0.00 0.49 0.09 0.00 0.00 178.44 180.03 2kai n PHE 74 N -4.79 0.38 -3.57 1.13 3.01 -1.26 -4.91 117.46 107.46 2kai n PHE 74 Ca 0.15 -0.19 -0.20 0.00 1.01 0.00 0.00 57.45 58.22 2kai n PHE 74 Cb 0.35 0.00 -0.02 0.00 -0.01 0.00 0.00 39.48 39.79 2kai n PHE 74 CO 0.00 0.00 0.00 -2.00 1.01 0.00 0.00 176.76 175.77 2kai s GLU 75 N -1.62 2.75 -1.05 -1.08 2.12 -1.15 -5.02 118.70 113.65 2kai s GLU 75 Ca 0.34 -1.31 -0.18 0.00 0.36 0.00 0.00 54.97 54.19 2kai s GLU 75 Cb 0.19 -2.55 0.13 0.00 0.26 0.00 0.00 34.13 32.16 2kai s GLU 75 CO 0.27 -0.05 1.31 1.21 -0.54 0.00 0.00 175.26 177.47 2kai s ASN 76 N -4.12 6.76 -0.12 -1.70 3.04 -1.26 -4.97 114.94 112.59 2kai s ASN 76 Ca 0.46 -2.29 -0.30 0.00 0.04 0.00 0.00 52.86 50.77 2kai s ASN 76 Cb -0.06 -2.43 -0.02 0.00 -1.54 0.00 0.00 41.25 37.19 2kai s ASN 76 CO 0.29 -1.03 1.15 -1.61 -3.04 0.00 0.00 177.10 172.86 2kai s GLU 77 N 2.75 4.33 0.20 0.43 2.02 -1.26 -4.94 118.70 122.23 2kai s GLU 77 Ca 0.39 1.57 0.01 0.00 0.02 0.00 0.00 54.97 56.96 2kai s GLU 77 Cb -0.03 -3.61 0.14 0.00 0.10 0.00 0.00 34.13 30.73 2kai s GLU 77 CO -0.05 -0.50 1.49 -0.97 0.02 0.00 0.00 175.26 175.24 2kai h ASN 78 N 7.55 0.41 0.02 -0.19 -0.00 -1.93 -2.92 115.58 118.52 2kai h ASN 78 Ca -0.30 -0.25 -0.00 0.00 -0.00 0.00 0.00 56.30 55.75 2kai h ASN 78 Cb 1.13 -0.12 -0.00 0.00 -0.00 0.00 0.00 38.32 39.33 2kai h ASN 78 CO 0.91 0.95 -0.01 0.71 -0.00 0.00 0.00 177.43 179.99 2kai h THR 79 N 0.25 0.67 -3.84 -3.57 1.35 -1.92 -3.46 112.91 102.40 2kai h THR 79 Ca -0.02 -0.03 -0.55 0.00 -0.55 0.00 0.00 66.41 65.26 2kai h THR 79 Cb 1.20 1.02 0.11 0.00 -1.73 0.00 0.00 68.15 68.76 2kai h THR 79 CO 0.11 0.01 0.71 0.00 -0.25 0.00 0.00 175.52 176.10 2kai n ALA 80 N -2.38 2.12 -2.38 6.62 0.00 -1.10 -4.67 120.51 118.71 2kai n ALA 80 Ca -0.03 0.32 -0.29 0.00 0.00 0.00 0.00 53.44 53.44 2kai n ALA 80 Cb 0.09 -2.39 -0.16 0.00 0.00 0.00 0.00 19.45 17.00 2kai n ALA 80 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 2kai s GLN 81 N -2.16 1.89 -0.16 0.00 -0.21 0.10 -4.96 119.66 114.16 2kai s GLN 81 Ca 0.56 -0.83 0.01 0.00 0.02 0.00 0.00 55.36 55.12 2kai s GLN 81 Cb -0.48 -1.82 0.01 0.00 1.00 0.00 0.00 33.01 31.71 2kai s GLN 81 CO 0.62 0.50 -0.18 0.12 -2.12 0.00 0.00 175.29 174.22 2kai s PHE 82 N -0.53 2.76 0.12 0.91 5.99 -1.26 0.68 117.98 126.65 2kai s PHE 82 Ca 0.09 -1.34 0.04 0.00 0.00 0.00 0.00 56.93 55.72 2kai s PHE 82 Cb -0.09 -1.89 -0.04 0.00 0.00 0.00 0.00 43.02 41.00 2kai s PHE 82 CO -0.01 -0.64 -0.11 -0.06 -0.00 0.00 0.00 175.22 174.40 2kai s PHE 83 N 1.03 1.21 0.59 10.12 0.40 -0.33 -5.02 117.98 125.97 2kai s PHE 83 Ca -0.02 -0.68 0.09 0.00 -0.60 0.00 0.00 56.93 55.72 2kai s PHE 83 Cb -0.15 -0.63 0.09 0.00 0.51 0.00 0.00 43.02 42.84 2kai s PHE 83 CO -0.05 0.06 0.76 0.20 0.70 0.00 0.00 175.22 176.88 2kai s GLY 84 N -2.76 1.81 -0.05 4.36 0.00 -1.26 -0.61 107.32 108.80 2kai s GLY 84 Ca 0.11 -2.05 -0.00 0.00 0.00 0.00 0.00 44.72 42.78 2kai s GLY 84 CO 0.01 -1.75 -0.01 0.54 0.00 0.00 0.00 173.10 171.89 2kai s VAL 85 N -2.72 0.38 -0.21 1.40 0.11 -1.26 -4.81 120.40 113.30 2kai s VAL 85 Ca 0.58 0.03 0.20 0.00 -2.93 0.00 0.00 61.98 59.86 2kai s VAL 85 Cb -0.05 -0.48 -0.02 0.00 -1.53 0.00 0.00 36.38 34.30 2kai s VAL 85 CO 0.37 0.22 1.04 0.00 -3.33 0.00 0.00 175.10 173.39 2kai h THR 86 N 6.24 0.23 -2.22 5.04 1.03 -1.98 -3.48 112.91 117.78 2kai h THR 86 Ca -0.31 -1.42 -0.07 0.00 -0.01 0.00 0.00 66.41 64.60 2kai h THR 86 Cb 1.14 1.78 -0.19 0.00 -1.07 0.00 0.00 68.15 69.81 2kai h THR 86 CO 0.38 0.13 0.12 0.00 -0.01 0.00 0.00 175.52 176.14 2kai s ALA 87 N -3.17 -1.60 -0.09 0.00 0.00 -1.26 -5.15 121.76 110.49 2kai s ALA 87 Ca -0.00 1.11 0.04 0.00 0.00 0.00 0.00 51.96 53.11 2kai s ALA 87 Cb 0.09 0.06 0.00 0.00 0.00 0.00 0.00 23.12 23.27 2kai s ALA 87 CO 0.79 -0.37 -0.21 0.16 0.00 0.00 0.00 175.76 176.12 2kai s ASP 88 N -1.30 2.74 -0.57 0.00 -4.77 -1.26 -5.09 116.67 106.42 2kai s ASP 88 Ca -0.11 -0.49 0.04 0.00 -3.30 0.00 0.00 52.55 48.70 2kai s ASP 88 Cb -0.01 -1.20 0.15 0.00 -1.09 0.00 0.00 42.92 40.76 2kai s ASP 88 CO 0.08 0.14 0.34 -0.36 0.70 0.00 0.00 175.17 176.07 2kai s PHE 89 N 0.37 3.03 0.35 2.11 0.40 -1.26 -5.09 117.98 117.88 2kai s PHE 89 Ca -0.16 -3.08 -0.27 0.00 -0.60 0.00 0.00 56.93 52.82 2kai s PHE 89 Cb -0.17 -2.54 -0.09 0.00 0.51 0.00 0.00 43.02 40.73 2kai s PHE 89 CO 0.07 -0.68 1.13 -1.25 0.70 0.00 0.00 175.22 175.19 2kai s PRO 90 N -0.58 4.34 0.17 0.24 0.04 -1.26 -4.96 135.00 132.99 2kai s PRO 90 Ca 0.21 1.80 -0.32 0.00 0.04 0.00 0.00 61.00 62.73 2kai s PRO 90 Cb -0.17 -2.89 -0.10 0.00 0.04 0.00 0.00 34.50 31.37 2kai s PRO 90 CO -0.07 -0.06 1.61 -1.58 0.04 0.00 0.00 177.00 176.94 2kai s HIS 91 N -1.33 2.98 -0.63 0.56 5.65 -1.26 -4.83 115.29 116.42 2kai s HIS 91 Ca 0.51 0.54 0.00 0.00 0.25 0.00 0.00 55.06 56.36 2kai s HIS 91 Cb -0.31 -3.98 0.00 0.00 -1.18 0.00 0.00 32.58 27.12 2kai s HIS 91 CO 0.39 -3.65 0.73 -2.30 -0.65 0.00 0.00 174.74 169.25 2kai n PRO 92 N 4.09 0.00 0.04 2.88 -0.02 -1.26 -2.29 135.00 138.44 2kai n PRO 92 Ca 0.14 0.25 0.11 0.00 -2.02 0.00 0.00 63.50 61.99 2kai n PRO 92 Cb 0.38 -1.69 0.03 0.00 -0.02 0.00 0.00 33.50 32.19 2kai n PRO 92 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2kai n GLY 93 N -1.23 -1.25 0.00 -1.23 0.00 -1.26 -4.86 105.19 95.36 2kai n GLY 93 Ca 0.00 -0.37 0.00 0.00 0.00 0.00 0.00 46.02 45.65 2kai n GLY 93 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 2kai n PHE 94 N -2.08 0.00 -1.26 1.61 -0.00 -0.97 -2.50 117.46 112.26 2kai n PHE 94 Ca 0.01 0.00 -0.34 0.00 -0.00 0.00 0.00 57.45 57.13 2kai n PHE 94 Cb 0.46 -0.13 -0.06 0.00 -0.00 0.00 0.00 39.48 39.75 2kai n PHE 94 CO 0.00 0.00 0.00 0.09 -0.00 0.00 0.00 176.76 176.85 2kai n ASN 95 N -1.77 8.09 -1.91 -2.13 5.03 -1.26 -4.81 115.26 116.50 2kai n ASN 95 Ca 0.00 -2.56 0.00 0.00 0.87 0.00 0.00 54.58 52.89 2kai n ASN 95 Cb 0.00 -1.53 0.00 0.00 -1.02 0.00 0.00 39.78 37.23 2kai n ASN 95 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 2kai n LEU 95 N 3.35 -5.92 -0.17 3.41 -0.00 -1.04 -5.27 117.00 111.37 2kai n LEU 95 Ca 0.72 3.38 0.15 0.00 -0.00 0.00 0.00 56.01 60.26 2kai n LEU 95 Cb 0.36 -3.32 0.80 0.00 -0.00 0.00 0.00 43.42 41.26 2kai n LEU 95 CO 0.71 -0.48 1.03 -0.24 -0.00 0.00 0.00 177.39 178.41