#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1kmg n THR 2 N 0.00 3.64 -5.19 0.00 -1.04 -1.26 -4.41 114.28 106.02 1kmg n THR 2 Ca 0.00 -3.08 -0.31 0.00 -2.04 0.00 0.00 64.05 58.62 1kmg n THR 2 Cb 0.00 -2.59 -0.17 0.00 -1.82 0.00 0.00 70.33 65.76 1kmg n THR 2 CO 0.00 0.00 0.00 -1.59 -0.64 0.00 0.00 175.07 172.84 1kmg s LYS 3 N 2.82 2.67 0.34 -2.82 0.00 -1.26 -2.96 119.74 118.53 1kmg s LYS 3 Ca 0.49 -0.85 -0.09 0.00 0.00 0.00 0.00 55.97 55.52 1kmg s LYS 3 Cb 0.14 -2.14 -0.06 0.00 0.00 0.00 0.00 37.83 35.77 1kmg s LYS 3 CO -0.08 0.27 0.68 0.00 0.00 0.00 0.00 175.35 176.22 1kmg s ALA 4 N 0.10 3.45 0.10 0.59 0.00 0.09 -3.98 121.76 122.11 1kmg s ALA 4 Ca -0.11 -0.28 0.09 0.00 0.00 0.00 0.00 51.96 51.66 1kmg s ALA 4 Cb -0.15 -2.57 -0.04 0.00 0.00 0.00 0.00 23.12 20.36 1kmg s ALA 4 CO 0.06 0.16 -0.20 0.08 0.00 0.00 0.00 175.76 175.86 1kmg s VAL 5 N -2.18 2.71 -0.30 0.00 1.01 -1.26 -0.80 120.40 119.58 1kmg s VAL 5 Ca 0.49 -1.46 0.01 0.00 0.00 0.00 0.00 61.98 61.01 1kmg s VAL 5 Cb -0.10 -2.21 0.09 0.00 0.00 0.00 0.00 36.38 34.16 1kmg s VAL 5 CO 0.28 0.17 0.06 0.00 0.00 0.00 0.00 175.10 175.61 1kmg s ALA 6 N -1.07 1.92 -0.59 5.51 0.00 -1.13 -0.44 121.76 125.97 1kmg s ALA 6 Ca 0.16 -1.82 -0.26 0.00 0.00 0.00 0.00 51.96 50.04 1kmg s ALA 6 Cb -0.10 -1.67 -0.05 0.00 0.00 0.00 0.00 23.12 21.29 1kmg s ALA 6 CO 0.08 -1.59 2.16 0.08 0.00 0.00 0.00 175.76 176.48 1kmg s VAL 7 N 1.41 3.18 -0.15 0.00 1.01 -1.26 -0.64 120.40 123.94 1kmg s VAL 7 Ca 0.08 0.06 -0.28 0.00 0.00 0.00 0.00 61.98 61.84 1kmg s VAL 7 Cb -0.18 -3.46 -0.01 0.00 0.00 0.00 0.00 36.38 32.74 1kmg s VAL 7 CO -0.18 -0.44 0.94 -0.76 0.00 0.00 0.00 175.10 174.67 1kmg s LEU 8 N 11.00 4.19 0.29 3.92 1.43 0.12 -4.18 118.68 135.44 1kmg s LEU 8 Ca 0.83 1.36 0.00 0.00 -1.03 0.00 0.00 54.13 55.29 1kmg s LEU 8 Cb -0.14 -3.42 0.00 0.00 0.03 0.00 0.00 46.19 42.65 1kmg s LEU 8 CO 0.21 -0.47 0.00 1.17 0.23 0.00 0.00 176.35 177.49 1kmg n LYS 9 N 5.33 0.00 0.00 1.70 0.00 -0.13 -0.98 118.16 124.08 1kmg n LYS 9 Ca 0.08 0.00 0.00 0.00 0.00 0.00 0.00 58.31 58.39 1kmg n LYS 9 Cb 0.48 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.51 1kmg n LYS 9 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1kmg n GLY 10 N -0.41 2.28 0.22 3.14 0.00 -0.10 -3.86 105.19 106.46 1kmg n GLY 10 Ca 0.00 0.39 -0.06 0.00 0.00 0.00 0.00 46.02 46.35 1kmg n GLY 10 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1kmg n ASP 11 N 4.44 1.45 -4.33 1.61 2.03 -0.98 -4.14 116.55 116.62 1kmg n ASP 11 Ca 0.00 0.24 -0.33 0.00 0.52 0.00 0.00 54.79 55.22 1kmg n ASP 11 Cb 0.00 -0.63 0.12 0.00 -0.72 0.00 0.00 41.12 39.89 1kmg n ASP 11 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1kmg n GLY 12 N 1.78 -2.44 1.49 0.27 0.00 0.77 -4.79 105.19 102.27 1kmg n GLY 12 Ca -0.09 -0.75 0.00 0.00 0.00 0.00 0.00 46.02 45.18 1kmg n GLY 12 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1kmg n PRO 13 N -1.16 0.87 -3.48 1.61 -0.04 -1.26 -4.76 135.00 126.77 1kmg n PRO 13 Ca 0.04 0.00 -0.28 0.00 -0.04 0.00 0.00 63.50 63.23 1kmg n PRO 13 Cb 0.56 -1.07 -0.03 0.00 -0.04 0.00 0.00 33.50 32.92 1kmg n PRO 13 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 1kmg s VAL 14 N 0.25 5.10 -0.22 0.52 1.01 -1.24 -4.46 120.40 121.37 1kmg s VAL 14 Ca 0.00 -0.17 -0.06 0.00 0.00 0.00 0.00 61.98 61.76 1kmg s VAL 14 Cb 0.00 -3.75 0.11 0.00 0.00 0.00 0.00 36.38 32.74 1kmg s VAL 14 CO 0.00 -0.29 0.42 0.00 0.00 0.00 0.00 175.10 175.23 1kmg s GLN 15 N -3.55 0.35 0.20 2.72 0.00 0.56 -4.44 119.66 115.50 1kmg s GLN 15 Ca 0.41 0.91 -0.20 0.00 -0.00 0.00 0.00 55.36 56.48 1kmg s GLN 15 Cb -0.11 0.14 0.04 0.00 0.00 0.00 0.00 33.01 33.08 1kmg s GLN 15 CO 0.30 -0.37 0.59 0.20 0.00 0.00 0.00 175.29 176.01 1kmg s GLY 16 N 2.62 -0.32 -0.18 2.60 0.00 -0.16 -0.67 107.32 111.21 1kmg s GLY 16 Ca 0.03 0.06 0.00 0.00 0.00 0.00 0.00 44.72 44.81 1kmg s GLY 16 CO -0.14 -0.05 -0.08 -0.42 0.00 0.00 0.00 173.10 172.41 1kmg s ILE 17 N -3.83 1.37 0.42 0.90 1.01 -1.26 0.13 121.20 119.94 1kmg s ILE 17 Ca 0.06 -0.82 -0.22 0.00 0.00 0.00 0.00 60.65 59.67 1kmg s ILE 17 Cb -0.02 -1.50 -0.10 0.00 0.01 0.00 0.00 42.46 40.85 1kmg s ILE 17 CO -0.05 0.14 0.98 -0.63 0.00 0.00 0.00 174.94 175.38 1kmg s ILE 18 N 1.52 4.13 -0.18 2.92 -1.09 0.19 -3.78 121.20 124.91 1kmg s ILE 18 Ca -0.00 1.44 0.01 0.00 -2.23 0.00 0.00 60.65 59.87 1kmg s ILE 18 Cb -0.16 -3.65 0.03 0.00 -1.58 0.00 0.00 42.46 37.10 1kmg s ILE 18 CO -0.08 -0.18 -0.15 0.20 -1.23 0.00 0.00 174.94 173.51 1kmg s ASN 19 N -1.95 3.09 -0.48 3.58 0.02 0.10 -2.84 114.94 116.47 1kmg s ASN 19 Ca 0.60 -0.68 -0.09 0.00 -1.02 0.00 0.00 52.86 51.67 1kmg s ASN 19 Cb -0.14 -1.31 0.12 0.00 0.02 0.00 0.00 41.25 39.94 1kmg s ASN 19 CO 0.18 -0.07 0.35 -0.36 0.02 0.00 0.00 177.10 177.23 1kmg s PHE 20 N 1.38 3.42 -0.13 2.20 0.40 0.02 -1.82 117.98 123.45 1kmg s PHE 20 Ca 0.03 -1.86 -0.05 0.00 -0.60 0.00 0.00 56.93 54.45 1kmg s PHE 20 Cb -0.14 -3.52 -0.04 0.00 0.51 0.00 0.00 43.02 39.84 1kmg s PHE 20 CO -0.11 -1.00 0.06 -2.00 0.70 0.00 0.00 175.22 172.88 1kmg s GLU 21 N 1.36 3.44 -0.43 0.44 -6.30 0.13 -0.73 118.70 116.62 1kmg s GLU 21 Ca 0.06 -0.30 0.06 0.00 -2.50 0.00 0.00 54.97 52.29 1kmg s GLU 21 Cb -0.26 -3.05 0.18 0.00 0.00 0.00 0.00 34.13 31.00 1kmg s GLU 21 CO -0.01 0.59 0.58 -1.14 0.02 0.00 0.00 175.26 175.30 1kmg s GLN 22 N -0.54 0.85 0.14 4.30 0.74 -1.15 -0.41 119.66 123.59 1kmg s GLN 22 Ca 0.11 -0.72 -0.21 0.00 0.05 0.00 0.00 55.36 54.58 1kmg s GLN 22 Cb -0.12 -0.23 0.02 0.00 1.10 0.00 0.00 33.01 33.78 1kmg s GLN 22 CO 0.02 -1.24 1.65 -0.22 -0.55 0.00 0.00 175.29 174.96 1kmg h LYS 23 N 6.44 -0.17 -5.77 1.67 3.11 -1.94 -3.29 116.57 116.62 1kmg h LYS 23 Ca 0.07 0.01 -0.62 0.00 -2.81 0.00 0.00 60.65 57.30 1kmg h LYS 23 Cb 1.12 0.04 -0.12 0.00 -1.00 0.00 0.00 32.23 32.26 1kmg h LYS 23 CO 0.12 -0.12 1.15 -2.00 -2.81 0.00 0.00 179.45 175.79 1kmg s GLU 24 N -6.13 3.49 0.00 1.90 2.56 -1.26 -4.91 118.70 114.34 1kmg s GLU 24 Ca -0.14 -1.15 0.00 0.00 0.00 0.00 0.00 54.97 53.68 1kmg s GLU 24 Cb 0.12 -4.95 0.00 0.00 2.00 0.00 0.00 34.13 31.30 1kmg s GLU 24 CO 0.68 -2.04 0.24 0.43 -0.56 0.00 0.00 175.26 174.02 1kmg n SER 25 N 8.17 0.00 -2.76 -1.70 7.64 -1.24 -2.14 113.62 121.59 1kmg n SER 25 Ca 0.22 0.00 -0.09 0.00 1.01 0.00 0.00 58.87 60.01 1kmg n SER 25 Cb 0.50 0.00 0.07 0.00 -1.01 0.00 0.00 64.21 63.76 1kmg n SER 25 CO 0.00 0.00 0.00 -3.20 -3.01 0.00 0.00 175.04 168.83 1kmg n ASN 26 N -0.69 -2.47 0.00 6.43 5.15 -1.26 -3.93 115.26 118.49 1kmg n ASN 26 Ca 0.00 -3.49 0.00 0.00 -0.60 0.00 0.00 54.58 50.49 1kmg n ASN 26 Cb 0.00 1.77 0.00 0.00 -0.53 0.00 0.00 39.78 41.02 1kmg n ASN 26 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1kmg n GLY 27 N 0.97 5.20 3.77 8.20 0.00 -0.91 -5.07 105.19 117.34 1kmg n GLY 27 Ca 0.08 -1.59 -0.38 0.00 0.00 0.00 0.00 46.02 44.13 1kmg n GLY 27 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1kmg s PRO 28 N 3.25 4.69 0.28 1.61 0.04 -1.26 -4.51 135.00 139.09 1kmg s PRO 28 Ca 0.00 1.41 -0.09 0.00 0.04 0.00 0.00 61.00 62.37 1kmg s PRO 28 Cb 0.00 -3.00 -0.07 0.00 0.04 0.00 0.00 34.50 31.48 1kmg s PRO 28 CO 0.00 0.36 0.59 0.08 0.04 0.00 0.00 177.00 178.08 1kmg s VAL 29 N -1.43 4.93 -0.23 -0.36 1.01 -0.85 -4.90 120.40 118.57 1kmg s VAL 29 Ca 0.46 0.39 -0.09 0.00 0.00 0.00 0.00 61.98 62.74 1kmg s VAL 29 Cb -0.22 -3.67 -0.05 0.00 0.00 0.00 0.00 36.38 32.45 1kmg s VAL 29 CO 0.28 -0.22 0.13 -0.54 0.00 0.00 0.00 175.10 174.74 1kmg s LYS 30 N -3.20 4.00 -0.12 2.72 3.01 0.45 -3.83 119.74 122.77 1kmg s LYS 30 Ca 0.47 -0.31 0.01 0.00 -1.01 0.00 0.00 55.97 55.13 1kmg s LYS 30 Cb -0.11 -3.43 -0.01 0.00 -1.01 0.00 0.00 37.83 33.27 1kmg s LYS 30 CO 0.25 0.09 -0.17 0.08 0.51 0.00 0.00 175.35 176.11 1kmg s VAL 31 N 0.94 2.71 0.01 3.17 1.01 0.58 -0.69 120.40 128.12 1kmg s VAL 31 Ca 0.06 -0.79 -0.06 0.00 0.00 0.00 0.00 61.98 61.19 1kmg s VAL 31 Cb -0.13 -2.11 -0.00 0.00 0.00 0.00 0.00 36.38 34.14 1kmg s VAL 31 CO 0.03 0.54 0.11 -1.66 0.00 0.00 0.00 175.10 174.12 1kmg s TRP 32 N 0.35 0.08 -0.29 5.22 -2.14 -0.76 -0.83 118.94 120.58 1kmg s TRP 32 Ca -0.14 -0.21 -0.26 0.00 2.66 0.00 0.00 56.10 58.15 1kmg s TRP 32 Cb -0.17 -0.07 0.19 0.00 -3.10 0.00 0.00 33.47 30.32 1kmg s TRP 32 CO 0.07 -0.28 1.41 0.20 -2.66 0.00 0.00 176.95 175.68 1kmg s GLY 33 N -1.45 0.27 -0.40 3.67 0.00 -1.25 0.00 107.32 108.16 1kmg s GLY 33 Ca -0.14 3.30 0.01 0.00 0.00 0.00 0.00 44.72 47.89 1kmg s GLY 33 CO 0.01 1.70 0.15 -0.56 0.00 0.00 0.00 173.10 174.40 1kmg s SER 34 N -0.27 4.95 0.11 1.64 0.01 -1.25 -0.29 113.70 118.60 1kmg s SER 34 Ca 0.08 -2.23 -0.15 0.00 1.31 0.00 0.00 55.95 54.96 1kmg s SER 34 Cb -0.04 -1.72 -0.07 0.00 0.21 0.00 0.00 66.02 64.40 1kmg s SER 34 CO -0.13 -0.43 0.53 -0.63 0.41 0.00 0.00 173.24 172.99 1kmg s ILE 35 N 0.83 4.87 0.12 1.44 -1.09 0.57 -4.39 121.20 123.55 1kmg s ILE 35 Ca 0.11 0.88 0.02 0.00 -2.23 0.00 0.00 60.65 59.43 1kmg s ILE 35 Cb -0.21 -3.76 -0.04 0.00 -1.58 0.00 0.00 42.46 36.87 1kmg s ILE 35 CO -0.06 0.34 -0.06 -0.54 -1.23 0.00 0.00 174.94 173.40 1kmg s LYS 36 N -1.69 0.92 -0.24 2.79 3.01 0.16 -0.59 119.74 124.10 1kmg s LYS 36 Ca 0.34 -1.39 0.00 0.00 -1.01 0.00 0.00 55.97 53.91 1kmg s LYS 36 Cb -0.16 -0.31 0.00 0.00 -1.01 0.00 0.00 37.83 36.35 1kmg s LYS 36 CO 0.18 -0.01 0.00 0.41 0.51 0.00 0.00 175.35 176.44 1kmg n GLY 37 N -0.11 0.42 3.58 -3.33 0.00 -0.44 -0.32 105.19 104.98 1kmg n GLY 37 Ca -0.11 -0.87 -0.29 0.00 0.00 0.00 0.00 46.02 44.75 1kmg n GLY 37 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1kmg s LEU 38 N -0.66 0.97 0.89 0.99 1.43 -0.01 -3.59 118.68 118.70 1kmg s LEU 38 Ca 0.00 1.16 -0.12 0.00 -1.03 0.00 0.00 54.13 54.14 1kmg s LEU 38 Cb 0.00 -3.13 0.12 0.00 0.03 0.00 0.00 46.19 43.22 1kmg s LEU 38 CO 0.00 -3.81 1.12 0.42 0.23 0.00 0.00 176.35 174.31 1kmg s THR 39 N -2.77 2.30 1.27 5.49 -4.23 -1.26 -3.88 115.64 112.56 1kmg s THR 39 Ca 0.67 0.10 -0.16 0.00 -1.18 0.00 0.00 61.69 61.12 1kmg s THR 39 Cb -0.19 -2.82 0.33 0.00 1.34 0.00 0.00 72.50 71.16 1kmg s THR 39 CO 0.60 -0.13 0.98 -1.61 -0.54 0.00 0.00 174.62 173.92 1kmg s GLU 40 N -5.21 -1.78 2.96 3.99 8.01 -1.26 -4.59 118.70 120.81 1kmg s GLU 40 Ca 0.63 0.62 0.00 0.00 0.01 0.00 0.00 54.97 56.23 1kmg s GLU 40 Cb -0.15 -1.47 0.00 0.00 -4.31 0.00 0.00 34.13 28.20 1kmg s GLU 40 CO 0.54 -4.24 0.00 0.41 0.01 0.00 0.00 175.26 171.98 1kmg n GLY 41 N 1.19 0.58 3.77 -1.39 0.00 -0.87 -4.70 105.19 103.77 1kmg n GLY 41 Ca 0.05 -0.88 -0.40 0.00 0.00 0.00 0.00 46.02 44.79 1kmg n GLY 41 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1kmg s LEU 42 N 0.00 4.35 -0.12 0.99 2.01 -1.26 -0.38 118.68 124.27 1kmg s LEU 42 Ca 0.00 2.57 -0.04 0.00 0.01 0.00 0.00 54.13 56.67 1kmg s LEU 42 Cb 0.00 -3.77 0.06 0.00 0.01 0.00 0.00 46.19 42.48 1kmg s LEU 42 CO 0.00 -0.59 0.14 -1.00 1.01 0.00 0.00 176.35 175.91 1kmg s HIS 43 N -1.22 -0.08 0.49 0.29 3.76 0.08 -3.48 115.29 115.14 1kmg s HIS 43 Ca 0.52 0.28 -0.21 0.00 -0.15 0.00 0.00 55.06 55.49 1kmg s HIS 43 Cb -0.37 -0.41 -0.09 0.00 1.11 0.00 0.00 32.58 32.82 1kmg s HIS 43 CO 0.48 -0.38 0.79 0.41 -0.85 0.00 0.00 174.74 175.20 1kmg n GLY 44 N 5.31 -0.79 2.62 -2.22 0.00 0.55 -0.22 105.19 110.44 1kmg n GLY 44 Ca -0.05 -0.01 -0.28 0.00 0.00 0.00 0.00 46.02 45.68 1kmg n GLY 44 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1kmg s PHE 45 N -1.47 0.53 0.10 1.61 2.19 0.56 -0.53 117.98 120.96 1kmg s PHE 45 Ca 0.67 -0.74 -0.00 0.00 0.33 0.00 0.00 56.93 57.19 1kmg s PHE 45 Cb -0.51 -0.92 -0.04 0.00 -1.31 0.00 0.00 43.02 40.24 1kmg s PHE 45 CO 0.54 -0.67 -0.01 -1.01 1.83 0.00 0.00 175.22 175.91 1kmg s HIS 46 N 2.03 0.77 -0.14 10.12 3.76 -0.71 -1.31 115.29 129.81 1kmg s HIS 46 Ca 0.05 -1.09 0.02 0.00 -0.15 0.00 0.00 55.06 53.89 1kmg s HIS 46 Cb -0.16 -0.47 0.00 0.00 1.11 0.00 0.00 32.58 33.06 1kmg s HIS 46 CO -0.20 -0.36 -0.20 0.54 -0.85 0.00 0.00 174.74 173.68 1kmg s VAL 47 N -3.88 2.32 0.04 -0.90 0.11 0.06 -0.24 120.40 117.91 1kmg s VAL 47 Ca 0.15 -0.90 0.01 0.00 -2.93 0.00 0.00 61.98 58.31 1kmg s VAL 47 Cb 0.07 -1.94 -0.04 0.00 -1.53 0.00 0.00 36.38 32.94 1kmg s VAL 47 CO -0.04 0.54 0.08 -1.00 -3.33 0.00 0.00 175.10 171.35 1kmg s HIS 48 N 0.72 3.24 -0.81 1.54 3.76 0.67 -0.43 115.29 123.98 1kmg s HIS 48 Ca -0.08 0.14 -0.18 0.00 -0.15 0.00 0.00 55.06 54.78 1kmg s HIS 48 Cb -0.16 -1.68 -0.13 0.00 1.11 0.00 0.00 32.58 31.72 1kmg s HIS 48 CO 0.01 0.53 1.96 0.39 -0.85 0.00 0.00 174.74 176.78 1kmg n GLU 49 N 0.81 1.63 -3.84 1.40 -0.58 -1.26 -2.11 120.64 116.70 1kmg n GLU 49 Ca -0.11 -1.77 -0.29 0.00 -0.42 0.00 0.00 57.16 54.57 1kmg n GLU 49 Cb 0.52 -2.82 -0.16 0.00 -0.57 0.00 0.00 31.44 28.41 1kmg n GLU 49 CO 0.00 0.00 0.00 -2.00 -0.48 0.00 0.00 177.13 174.65 1kmg s GLU 50 N 4.64 1.15 0.08 3.49 2.12 -1.26 -4.73 118.70 124.19 1kmg s GLU 50 Ca 0.53 -0.86 0.09 0.00 0.36 0.00 0.00 54.97 55.09 1kmg s GLU 50 Cb 0.13 -2.36 -0.21 0.00 0.26 0.00 0.00 34.13 31.95 1kmg s GLU 50 CO 0.08 -0.69 1.12 1.05 -0.54 0.00 0.00 175.26 176.28 1kmg h GLU 51 N 8.06 0.00 -5.15 4.30 4.11 -1.87 -2.78 114.58 121.24 1kmg h GLU 51 Ca -0.16 0.00 -0.67 0.00 0.07 0.00 0.00 59.36 58.60 1kmg h GLU 51 Cb 1.08 0.00 -0.32 0.00 0.50 0.00 0.00 28.75 30.00 1kmg h GLU 51 CO 0.40 0.84 -0.83 0.34 0.07 0.00 0.00 179.01 179.83 1kmg s ASP 52 N -6.53 3.41 -0.30 3.06 2.15 -1.26 -4.90 116.67 112.30 1kmg s ASP 52 Ca -0.00 -0.55 0.19 0.00 0.43 0.00 0.00 52.55 52.62 1kmg s ASP 52 Cb 0.09 -1.52 0.48 0.00 -0.30 0.00 0.00 42.92 41.67 1kmg s ASP 52 CO 0.82 0.06 1.02 0.59 -0.17 0.00 0.00 175.17 177.49 1kmg n ASN 53 N 4.24 1.75 -1.56 -0.34 3.02 -1.26 -4.61 115.26 116.49 1kmg n ASN 53 Ca -0.20 -2.55 0.00 0.00 -0.03 0.00 0.00 54.58 51.81 1kmg n ASN 53 Cb 0.51 -0.50 0.00 0.00 -0.61 0.00 0.00 39.78 39.18 1kmg n ASN 53 CO 0.00 0.00 0.00 1.07 -2.62 0.00 0.00 177.26 175.71 1kmg n THR 54 N -0.29 1.63 0.02 3.41 5.66 -1.26 -3.44 114.28 120.00 1kmg n THR 54 Ca 0.11 -0.40 0.00 0.00 -3.05 0.00 0.00 64.05 60.71 1kmg n THR 54 Cb 0.81 -1.40 0.00 0.00 -1.55 0.00 0.00 70.33 68.19 1kmg n THR 54 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1kmg n ALA 55 N 1.55 0.00 -3.00 1.79 0.00 -1.26 -5.16 120.51 114.42 1kmg n ALA 55 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1kmg n ALA 55 Cb 0.42 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.87 1kmg n ALA 55 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1kmg n GLY 56 N -1.20 0.87 3.55 0.00 0.00 -1.22 -4.93 105.19 102.26 1kmg n GLY 56 Ca 0.00 -0.83 -0.36 0.00 0.00 0.00 0.00 46.02 44.83 1kmg n GLY 56 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1kmg n THR 58 N 7.38 0.00 0.00 0.00 -1.04 -1.26 -4.92 114.28 114.44 1kmg n THR 58 Ca 0.25 0.30 0.00 0.00 -2.04 0.00 0.00 64.05 62.56 1kmg n THR 58 Cb 0.51 -0.76 0.00 0.00 -1.82 0.00 0.00 70.33 68.27 1kmg n THR 58 CO 0.00 0.00 0.00 -1.20 -0.64 0.00 0.00 175.07 173.23 1kmg n SER 59 N 0.00 0.00 -3.66 8.00 7.64 -1.26 -5.18 113.62 119.16 1kmg n SER 59 Ca 0.00 0.00 -0.10 0.00 1.01 0.00 0.00 58.87 59.78 1kmg n SER 59 Cb 0.00 0.00 -0.03 0.00 -1.01 0.00 0.00 64.21 63.17 1kmg n SER 59 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1kmg s ALA 60 N 0.00 -1.11 0.00 -0.43 0.00 -1.26 -5.00 121.76 113.96 1kmg s ALA 60 Ca 0.00 -0.04 0.00 0.00 0.00 0.00 0.00 51.96 51.92 1kmg s ALA 60 Cb 0.00 0.84 0.00 0.00 0.00 0.00 0.00 23.12 23.96 1kmg s ALA 60 CO 0.00 -0.79 0.00 0.41 0.00 0.00 0.00 175.76 175.38 1kmg n GLY 61 N -0.34 0.62 3.76 0.00 0.00 -1.26 -4.96 105.19 103.00 1kmg n GLY 61 Ca -0.12 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.60 1kmg n GLY 61 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1kmg s PRO 62 N 1.94 -0.52 -0.10 1.61 0.04 -1.26 -4.85 135.00 131.87 1kmg s PRO 62 Ca 0.00 -0.32 -0.30 0.00 0.04 0.00 0.00 61.00 60.42 1kmg s PRO 62 Cb 0.00 -1.70 -0.08 0.00 0.04 0.00 0.00 34.50 32.76 1kmg s PRO 62 CO 0.00 -3.20 2.07 0.72 0.04 0.00 0.00 177.00 176.63 1kmg n HIS 63 N -4.34 2.24 -0.12 0.56 8.25 -1.26 -4.14 115.22 116.40 1kmg n HIS 63 Ca 0.15 -0.20 -0.06 0.00 -0.26 0.00 0.00 57.72 57.35 1kmg n HIS 63 Cb 0.59 -2.75 -0.01 0.00 1.12 0.00 0.00 29.99 28.95 1kmg n HIS 63 CO 0.00 0.00 0.00 0.34 0.64 0.00 0.00 176.34 177.32 1kmg n PHE 64 N 9.13 0.12 -4.33 4.41 7.35 0.43 -4.63 117.46 129.94 1kmg n PHE 64 Ca 0.25 0.08 -0.20 0.00 -0.76 0.00 0.00 57.45 56.82 1kmg n PHE 64 Cb 0.40 -0.22 -0.13 0.00 0.35 0.00 0.00 39.48 39.88 1kmg n PHE 64 CO 0.00 0.00 0.00 0.54 -0.76 0.00 0.00 176.76 176.54 1kmg s ASN 65 N 0.52 1.64 -0.03 -2.13 4.22 -1.26 -0.47 114.94 117.44 1kmg s ASN 65 Ca 0.11 -0.47 -0.22 0.00 -2.14 0.00 0.00 52.86 50.14 1kmg s ASN 65 Cb -0.14 -0.10 -0.16 0.00 1.28 0.00 0.00 41.25 42.13 1kmg s ASN 65 CO 0.06 0.02 1.00 1.55 -2.04 0.00 0.00 177.10 177.69 1kmg h PRO 66 N 4.86 -0.29 0.00 3.55 0.13 -1.99 -3.47 132.00 134.78 1kmg h PRO 66 Ca -0.38 0.02 0.00 0.00 -0.87 0.00 0.00 66.00 64.77 1kmg h PRO 66 Cb 1.18 0.07 0.00 0.00 0.13 0.00 0.00 31.00 32.38 1kmg h PRO 66 CO 0.43 0.09 0.00 1.28 -0.23 0.00 0.00 178.00 179.57 1kmg n LEU 67 N -5.01 0.00 -3.30 1.56 4.77 -1.26 -5.05 117.00 108.72 1kmg n LEU 67 Ca -0.08 0.00 -0.25 0.00 -0.03 0.00 0.00 56.01 55.64 1kmg n LEU 67 Cb 0.26 0.11 -0.08 0.00 -2.33 0.00 0.00 43.42 41.38 1kmg n LEU 67 CO 0.27 -0.48 -0.22 -1.54 -1.33 0.00 0.00 177.39 174.09 1kmg n SER 68 N -2.45 0.89 -4.37 -1.43 3.41 -1.26 -5.08 113.62 103.33 1kmg n SER 68 Ca 0.00 -2.81 -0.30 0.00 -0.26 0.00 0.00 58.87 55.50 1kmg n SER 68 Cb 0.00 -0.64 0.16 0.00 -0.26 0.00 0.00 64.21 63.47 1kmg n SER 68 CO 0.00 0.00 0.00 -0.13 -0.16 0.00 0.00 175.04 174.75 1kmg s ARG 69 N -1.26 0.90 0.11 4.33 1.81 -1.26 -5.11 118.95 118.47 1kmg s ARG 69 Ca 0.35 -0.18 0.09 0.00 -1.72 0.00 0.00 55.73 54.27 1kmg s ARG 69 Cb 0.14 -1.86 -0.04 0.00 -0.45 0.00 0.00 34.95 32.74 1kmg s ARG 69 CO -0.11 -2.27 -0.20 0.15 -0.68 0.00 0.00 175.30 172.19 1kmg s LYS 70 N -5.72 1.75 0.48 3.54 3.01 -1.26 -4.87 119.74 116.67 1kmg s LYS 70 Ca 0.70 -1.18 -0.23 0.00 -1.01 0.00 0.00 55.97 54.25 1kmg s LYS 70 Cb -0.07 -2.07 -0.07 0.00 -1.01 0.00 0.00 37.83 34.61 1kmg s LYS 70 CO 0.52 0.48 1.23 -1.58 0.51 0.00 0.00 175.35 176.51 1kmg s HIS 71 N -1.08 2.70 -0.14 3.18 5.65 0.67 -1.08 115.29 125.19 1kmg s HIS 71 Ca 0.16 1.48 -0.08 0.00 0.25 0.00 0.00 55.06 56.88 1kmg s HIS 71 Cb -0.10 -3.51 0.05 0.00 -1.18 0.00 0.00 32.58 27.84 1kmg s HIS 71 CO 0.08 -1.93 0.34 0.20 -0.65 0.00 0.00 174.74 172.78 1kmg s GLY 72 N -1.22 -0.25 0.00 1.59 0.00 -1.26 -4.50 107.32 101.69 1kmg s GLY 72 Ca 0.66 1.29 0.00 0.00 0.00 0.00 0.00 44.72 46.67 1kmg s GLY 72 CO 0.39 1.48 0.00 0.61 0.00 0.00 0.00 173.10 175.58 1kmg n GLY 73 N 4.21 0.14 0.19 0.20 0.00 0.13 -4.66 105.19 105.39 1kmg n GLY 73 Ca -0.24 -1.59 -0.04 0.00 0.00 0.00 0.00 46.02 44.15 1kmg n GLY 73 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1kmg h PRO 74 N 0.00 0.28 -0.41 1.61 0.13 -1.79 -2.93 132.00 128.89 1kmg h PRO 74 Ca 0.00 -0.16 -0.04 0.00 -0.87 0.00 0.00 66.00 64.93 1kmg h PRO 74 Cb 0.00 0.01 -0.02 0.00 0.13 0.00 0.00 31.00 31.13 1kmg h PRO 74 CO 0.00 0.72 0.09 1.57 -0.23 0.00 0.00 178.00 180.15 1kmg h LYS 75 N 0.22 0.66 -6.90 0.86 5.09 -1.90 -3.47 116.57 111.13 1kmg h LYS 75 Ca 0.01 -0.16 -0.54 0.00 0.09 0.00 0.00 60.65 60.04 1kmg h LYS 75 Cb 0.97 -0.08 0.11 0.00 0.10 0.00 0.00 32.23 33.33 1kmg h LYS 75 CO 0.08 0.69 0.74 -3.47 -2.09 0.00 0.00 179.45 175.40 1kmg n ASP 76 N -4.54 3.66 0.21 7.07 -0.08 -1.11 -4.95 116.55 116.81 1kmg n ASP 76 Ca -0.00 1.22 -0.17 0.00 -1.51 0.00 0.00 54.79 54.33 1kmg n ASP 76 Cb 0.21 -1.60 -0.09 0.00 2.34 0.00 0.00 41.12 41.98 1kmg n ASP 76 CO 0.00 0.00 0.00 -0.33 0.12 0.00 0.00 177.20 176.99 1kmg h GLU 77 N 3.01 -0.85 0.00 -0.67 3.07 -1.91 -3.45 114.58 113.78 1kmg h GLU 77 Ca -0.50 0.06 -0.39 0.00 -0.50 0.00 0.00 59.36 58.03 1kmg h GLU 77 Cb 1.25 0.19 0.15 0.00 -0.84 0.00 0.00 28.75 29.50 1kmg h GLU 77 CO 0.65 -0.56 0.36 0.39 -1.40 0.00 0.00 179.01 178.44 1kmg n GLU 78 N -5.53 -1.10 0.00 2.33 -0.58 -1.26 -5.10 120.64 109.40 1kmg n GLU 78 Ca -0.10 -1.86 0.00 0.00 -0.42 0.00 0.00 57.16 54.78 1kmg n GLU 78 Cb 0.44 -1.19 0.00 0.00 -0.57 0.00 0.00 31.44 30.12 1kmg n GLU 78 CO 0.00 0.00 0.00 2.89 -0.48 0.00 0.00 177.13 179.54 1kmg n ARG 79 N -3.47 0.00 -1.60 3.49 1.85 -1.21 -4.28 116.66 111.44 1kmg n ARG 79 Ca 0.15 0.00 -0.46 0.00 -1.00 0.00 0.00 57.85 56.54 1kmg n ARG 79 Cb 0.52 0.00 -0.03 0.00 -1.05 0.00 0.00 32.46 31.90 1kmg n ARG 79 CO 0.00 0.00 0.00 0.72 -0.01 0.00 0.00 177.63 178.34 1kmg n HIS 80 N -0.37 1.45 0.33 2.89 8.25 -0.24 -4.40 115.22 123.13 1kmg n HIS 80 Ca 0.00 0.65 0.20 0.00 -0.26 0.00 0.00 57.72 58.31 1kmg n HIS 80 Cb 0.00 -2.30 1.07 0.00 1.12 0.00 0.00 29.99 29.88 1kmg n HIS 80 CO 0.00 0.00 0.00 -0.24 0.64 0.00 0.00 176.34 176.74 1kmg h VAL 81 N 2.45 0.05 -1.15 1.59 3.04 -1.75 0.29 116.25 120.78 1kmg h VAL 81 Ca -0.42 0.00 -0.63 0.00 -1.01 0.00 0.00 66.70 64.64 1kmg h VAL 81 Cb 1.33 0.89 -0.36 0.00 -2.01 0.00 0.00 31.29 31.14 1kmg h VAL 81 CO 0.67 0.00 -0.00 0.61 -1.01 0.00 0.00 177.57 177.84 1kmg n GLY 82 N -1.15 6.04 3.82 3.17 0.00 0.38 -4.88 105.19 112.57 1kmg n GLY 82 Ca -0.02 -2.55 -0.37 0.00 0.00 0.00 0.00 46.02 43.08 1kmg n GLY 82 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1kmg s ASP 83 N -2.67 6.45 -0.22 1.61 1.01 0.10 -0.76 116.67 122.19 1kmg s ASP 83 Ca 0.55 0.53 -0.17 0.00 0.71 0.00 0.00 52.55 54.17 1kmg s ASP 83 Cb 0.44 -2.13 -0.14 0.00 1.01 0.00 0.00 42.92 42.11 1kmg s ASP 83 CO -0.09 0.31 -0.05 0.18 0.21 0.00 0.00 175.17 175.73 1kmg n LEU 84 N 2.45 1.89 0.00 1.23 7.99 -1.17 -4.83 117.00 124.56 1kmg n LEU 84 Ca -0.17 0.42 0.00 0.00 -0.01 0.00 0.00 56.01 56.26 1kmg n LEU 84 Cb 0.53 -0.89 0.00 0.00 -0.11 0.00 0.00 43.42 42.95 1kmg n LEU 84 CO 0.35 0.21 0.00 0.61 -1.51 0.00 0.00 177.39 177.04 1kmg n GLY 85 N 1.41 -0.92 3.65 -0.72 0.00 -0.43 -3.34 105.19 104.84 1kmg n GLY 85 Ca -0.33 0.39 -0.09 0.00 0.00 0.00 0.00 46.02 45.99 1kmg n GLY 85 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1kmg s ASN 86 N -4.00 -0.20 0.48 1.61 4.22 -1.26 -0.32 114.94 115.46 1kmg s ASN 86 Ca 0.00 -0.68 0.02 0.00 -2.14 0.00 0.00 52.86 50.06 1kmg s ASN 86 Cb 0.00 0.63 -0.02 0.00 1.28 0.00 0.00 41.25 43.14 1kmg s ASN 86 CO 0.00 -1.17 0.04 0.68 -2.04 0.00 0.00 177.10 174.61 1kmg s VAL 87 N -3.94 1.02 0.05 3.54 -7.23 0.70 -4.79 120.40 109.74 1kmg s VAL 87 Ca 0.14 -2.00 0.06 0.00 -1.81 0.00 0.00 61.98 58.37 1kmg s VAL 87 Cb -0.02 -2.24 -0.04 0.00 0.56 0.00 0.00 36.38 34.64 1kmg s VAL 87 CO 0.04 0.00 -0.11 0.28 -0.31 0.00 0.00 175.10 175.00 1kmg s THR 88 N -2.97 3.31 0.45 5.32 -1.32 -1.26 -0.74 115.64 118.43 1kmg s THR 88 Ca 0.12 -1.05 -0.10 0.00 -1.21 0.00 0.00 61.69 59.45 1kmg s THR 88 Cb 0.02 -2.46 -0.06 0.00 -1.51 0.00 0.00 72.50 68.49 1kmg s THR 88 CO 0.07 0.29 0.81 0.00 -2.21 0.00 0.00 174.62 173.58 1kmg s ALA 89 N -1.04 3.32 0.00 11.08 0.00 0.49 -4.31 121.76 131.30 1kmg s ALA 89 Ca 0.18 -0.24 0.00 0.00 0.00 0.00 0.00 51.96 51.90 1kmg s ALA 89 Cb -0.11 -2.74 0.00 0.00 0.00 0.00 0.00 23.12 20.27 1kmg s ALA 89 CO 0.09 -0.17 0.00 -0.25 0.00 0.00 0.00 175.76 175.43 1kmg n ASP 90 N -1.67 0.00 0.00 0.00 8.00 -0.23 -2.04 116.55 120.61 1kmg n ASP 90 Ca 0.03 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.53 1kmg n ASP 90 Cb 0.54 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.64 1kmg n ASP 90 CO 0.00 0.00 0.00 1.17 -0.39 0.00 0.00 177.20 177.98 1kmg n LYS 91 N 0.00 0.00 -0.07 -1.24 4.81 -1.26 -3.32 118.16 117.08 1kmg n LYS 91 Ca 0.00 0.00 0.01 0.00 -0.87 0.00 0.00 58.31 57.45 1kmg n LYS 91 Cb 0.00 -0.08 0.04 0.00 0.02 0.00 0.00 35.03 35.01 1kmg n LYS 91 CO 0.00 0.00 0.00 -3.47 1.17 0.00 0.00 177.40 175.10 1kmg n ASP 92 N -2.40 1.13 -0.01 3.14 2.03 -1.26 -4.56 116.55 114.62 1kmg n ASP 92 Ca 0.00 -2.06 -0.00 0.00 0.52 0.00 0.00 54.79 53.25 1kmg n ASP 92 Cb 0.02 -0.38 -0.00 0.00 -0.72 0.00 0.00 41.12 40.04 1kmg n ASP 92 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1kmg n GLY 93 N 0.22 0.33 3.68 0.27 0.00 -1.25 -4.01 105.19 104.44 1kmg n GLY 93 Ca 0.03 -0.01 -0.43 0.00 0.00 0.00 0.00 46.02 45.61 1kmg n GLY 93 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1kmg s VAL 94 N -1.65 4.70 0.24 1.61 1.01 -1.26 -0.83 120.40 124.22 1kmg s VAL 94 Ca 0.00 1.98 0.01 0.00 0.00 0.00 0.00 61.98 63.97 1kmg s VAL 94 Cb 0.00 -4.27 -0.04 0.00 0.00 0.00 0.00 36.38 32.07 1kmg s VAL 94 CO 0.00 -0.02 0.14 0.00 0.00 0.00 0.00 175.10 175.22 1kmg s ALA 95 N 2.20 1.46 -0.07 5.51 0.00 0.24 -1.06 121.76 130.05 1kmg s ALA 95 Ca 0.49 -1.78 -0.13 0.00 0.00 0.00 0.00 51.96 50.54 1kmg s ALA 95 Cb -0.19 1.30 0.03 0.00 0.00 0.00 0.00 23.12 24.26 1kmg s ALA 95 CO 0.17 -0.56 0.32 0.34 0.00 0.00 0.00 175.76 176.03 1kmg s ASP 96 N -3.24 -0.27 -0.60 0.00 -1.08 -1.26 -0.32 116.67 109.90 1kmg s ASP 96 Ca 0.38 0.39 0.04 0.00 -0.52 0.00 0.00 52.55 52.84 1kmg s ASP 96 Cb 0.06 0.50 0.37 0.00 -1.46 0.00 0.00 42.92 42.39 1kmg s ASP 96 CO 0.15 -0.27 1.19 0.52 0.52 0.00 0.00 175.17 177.28 1kmg n VAL 97 N 2.13 3.20 -2.20 1.11 0.31 0.61 -4.82 118.33 118.67 1kmg n VAL 97 Ca -0.17 -5.30 -0.40 0.00 -0.01 0.00 0.00 64.34 58.46 1kmg n VAL 97 Cb 0.57 -1.36 -0.03 0.00 -0.91 0.00 0.00 33.84 32.11 1kmg n VAL 97 CO 0.00 0.00 0.00 -0.44 -1.32 0.00 0.00 176.83 175.07 1kmg s SER 98 N -3.07 5.67 0.07 4.52 0.01 -1.26 -3.43 113.70 116.21 1kmg s SER 98 Ca 0.48 0.31 0.01 0.00 1.31 0.00 0.00 55.95 58.06 1kmg s SER 98 Cb 0.33 -2.54 -0.04 0.00 0.21 0.00 0.00 66.02 63.98 1kmg s SER 98 CO -0.18 -2.07 -0.05 -0.63 0.41 0.00 0.00 173.24 170.72 1kmg s ILE 99 N 7.63 0.48 -0.04 1.44 1.01 -0.01 -4.99 121.20 126.72 1kmg s ILE 99 Ca 0.60 -1.67 -0.01 0.00 0.00 0.00 0.00 60.65 59.57 1kmg s ILE 99 Cb -0.12 -1.34 0.03 0.00 0.01 0.00 0.00 42.46 41.04 1kmg s ILE 99 CO 0.22 -0.80 0.02 -0.70 0.00 0.00 0.00 174.94 173.69 1kmg s GLU 100 N -3.28 0.25 0.23 2.79 2.12 -1.26 -0.30 118.70 119.24 1kmg s GLU 100 Ca 0.04 0.19 0.11 0.00 0.36 0.00 0.00 54.97 55.67 1kmg s GLU 100 Cb 0.02 -0.63 -0.04 0.00 0.26 0.00 0.00 34.13 33.74 1kmg s GLU 100 CO -0.05 -0.25 -0.15 0.34 -0.54 0.00 0.00 175.26 174.61 1kmg s ASP 101 N 1.68 3.91 -0.01 -1.70 -1.08 -1.25 -5.00 116.67 113.22 1kmg s ASP 101 Ca -0.01 -0.79 0.19 0.00 -0.52 0.00 0.00 52.55 51.43 1kmg s ASP 101 Cb -0.13 -0.51 -0.23 0.00 -1.46 0.00 0.00 42.92 40.60 1kmg s ASP 101 CO -0.03 0.07 0.71 -1.54 0.52 0.00 0.00 175.17 174.90 1kmg n SER 102 N -0.24 0.80 0.15 -0.34 3.41 -1.26 -2.00 113.62 114.13 1kmg n SER 102 Ca -0.09 -0.70 0.03 0.00 -0.26 0.00 0.00 58.87 57.85 1kmg n SER 102 Cb 0.57 1.24 0.12 0.00 -0.26 0.00 0.00 64.21 65.88 1kmg n SER 102 CO 0.00 0.00 0.00 0.58 -0.16 0.00 0.00 175.04 175.46 1kmg h VAL 103 N 0.00 0.95 -1.82 -3.33 2.07 -1.97 -3.44 116.25 108.72 1kmg h VAL 103 Ca 0.00 -2.10 -0.59 0.00 0.82 0.00 0.00 66.70 64.82 1kmg h VAL 103 Cb 0.57 2.30 -0.11 0.00 -1.52 0.00 0.00 31.29 32.53 1kmg h VAL 103 CO 0.00 0.50 -0.60 0.27 0.02 0.00 0.00 177.57 177.76 1kmg s ILE 104 N -3.15 2.41 0.33 4.57 -5.25 -1.26 -5.07 121.20 113.78 1kmg s ILE 104 Ca 0.02 -1.96 0.05 0.00 -0.99 0.00 0.00 60.65 57.77 1kmg s ILE 104 Cb 0.09 -2.84 -0.03 0.00 2.95 0.00 0.00 42.46 42.62 1kmg s ILE 104 CO 0.73 -0.13 0.20 -0.44 -1.79 0.00 0.00 174.94 173.51 1kmg s SER 105 N -3.73 1.78 -0.52 4.36 0.01 -1.26 -4.19 113.70 110.14 1kmg s SER 105 Ca 0.36 -1.65 0.06 0.00 1.31 0.00 0.00 55.95 56.02 1kmg s SER 105 Cb 0.03 0.48 0.36 0.00 0.21 0.00 0.00 66.02 67.10 1kmg s SER 105 CO 0.19 -0.96 0.97 0.00 0.41 0.00 0.00 173.24 173.85 1kmg n LEU 106 N -0.65 4.12 0.20 2.44 -0.00 -1.26 -3.59 117.00 118.26 1kmg n LEU 106 Ca 0.02 -5.46 0.00 0.00 -0.00 0.00 0.00 56.01 50.57 1kmg n LEU 106 Cb 0.64 -0.39 0.00 0.00 -0.00 0.00 0.00 43.42 43.67 1kmg n LEU 106 CO 0.34 2.30 0.00 -1.20 -0.00 0.00 0.00 177.39 178.83 1kmg n SER 107 N -0.25 -2.48 -4.62 1.45 7.64 -1.25 -4.97 113.62 109.14 1kmg n SER 107 Ca 0.32 0.73 -0.30 0.00 1.01 0.00 0.00 58.87 60.63 1kmg n SER 107 Cb 0.49 2.40 0.19 0.00 -1.01 0.00 0.00 64.21 66.28 1kmg n SER 107 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 1kmg s GLY 108 N -3.34 1.61 0.25 0.23 0.00 -1.26 -4.80 107.32 100.01 1kmg s GLY 108 Ca 0.00 0.10 -0.01 0.00 0.00 0.00 0.00 44.72 44.81 1kmg s GLY 108 CO 0.00 0.66 1.31 1.34 0.00 0.00 0.00 173.10 176.41 1kmg n ASP 109 N -4.37 -0.17 0.03 1.64 2.03 -1.26 -0.43 116.55 114.02 1kmg n ASP 109 Ca 0.07 1.43 0.11 0.00 0.52 0.00 0.00 54.79 56.92 1kmg n ASP 109 Cb 0.54 -0.49 0.47 0.00 -0.72 0.00 0.00 41.12 40.91 1kmg n ASP 109 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1kmg n HIS 110 N -5.26 0.26 -0.52 -0.67 1.44 -1.26 -4.88 115.22 104.32 1kmg n HIS 110 Ca 0.17 0.09 -0.29 0.00 -2.01 0.00 0.00 57.72 55.69 1kmg n HIS 110 Cb 0.56 -0.64 0.26 0.00 0.12 0.00 0.00 29.99 30.30 1kmg n HIS 110 CO 0.00 0.00 0.00 -1.54 -2.81 0.00 0.00 176.34 171.99 1kmg s SER 111 N -3.41 0.43 0.00 4.39 1.04 0.43 -4.89 113.70 111.69 1kmg s SER 111 Ca 0.10 1.32 0.27 0.00 0.48 0.00 0.00 55.95 58.12 1kmg s SER 111 Cb 0.13 -2.02 1.24 0.00 0.10 0.00 0.00 66.02 65.47 1kmg s SER 111 CO 0.43 -4.51 1.89 2.30 0.98 0.00 0.00 173.24 174.33 1kmg n ILE 112 N -5.11 0.13 -1.68 -1.02 -0.00 -1.24 -4.81 119.36 105.63 1kmg n ILE 112 Ca 0.05 0.03 -0.49 0.00 -0.00 0.00 0.00 62.75 62.34 1kmg n ILE 112 Cb 0.56 -0.57 -0.05 0.00 -0.00 0.00 0.00 39.64 39.58 1kmg n ILE 112 CO 0.00 0.00 0.00 -0.38 -0.00 0.00 0.00 176.55 176.17 1kmg n ILE 113 N -1.43 0.56 -1.75 7.28 2.08 -1.26 0.11 119.36 124.95 1kmg n ILE 113 Ca 0.09 -0.10 -0.13 0.00 0.56 0.00 0.00 62.75 63.17 1kmg n ILE 113 Cb 0.28 -1.84 -0.03 0.00 -0.75 0.00 0.00 39.64 37.29 1kmg n ILE 113 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 1kmg n GLY 114 N 4.37 0.73 4.00 7.39 0.00 0.16 -5.02 105.19 116.81 1kmg n GLY 114 Ca 0.23 -0.38 -0.21 0.00 0.00 0.00 0.00 46.02 45.66 1kmg n GLY 114 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1kmg s ARG 115 N -3.77 2.36 -0.17 1.61 3.52 0.12 -4.12 118.95 118.51 1kmg s ARG 115 Ca 0.00 -1.67 0.01 0.00 -0.13 0.00 0.00 55.73 53.94 1kmg s ARG 115 Cb 0.00 -2.53 0.01 0.00 -1.56 0.00 0.00 34.95 30.87 1kmg s ARG 115 CO 0.00 -0.71 -0.20 0.99 -0.81 0.00 0.00 175.30 174.57 1kmg s THR 116 N -2.65 2.16 0.42 4.11 2.01 -0.90 -1.12 115.64 119.68 1kmg s THR 116 Ca 0.55 -0.92 -0.23 0.00 0.31 0.00 0.00 61.69 61.39 1kmg s THR 116 Cb -0.05 -1.89 -0.09 0.00 0.01 0.00 0.00 72.50 70.48 1kmg s THR 116 CO 0.34 0.54 1.07 -0.76 -0.69 0.00 0.00 174.62 175.12 1kmg s LEU 117 N 1.10 4.09 -0.03 4.42 1.43 -0.23 -0.24 118.68 129.22 1kmg s LEU 117 Ca 0.00 2.08 0.03 0.00 -1.03 0.00 0.00 54.13 55.21 1kmg s LEU 117 Cb -0.14 -4.23 0.00 0.00 0.03 0.00 0.00 46.19 41.85 1kmg s LEU 117 CO -0.08 -0.60 -0.11 -0.69 0.23 0.00 0.00 176.35 175.11 1kmg s VAL 118 N -1.67 0.92 -0.26 -1.59 1.01 0.67 -1.59 120.40 117.90 1kmg s VAL 118 Ca 0.60 -0.44 -0.10 0.00 0.00 0.00 0.00 61.98 62.03 1kmg s VAL 118 Cb -0.23 -0.81 -0.05 0.00 0.00 0.00 0.00 36.38 35.30 1kmg s VAL 118 CO 0.28 0.28 0.17 -0.69 0.00 0.00 0.00 175.10 175.14 1kmg s VAL 119 N 0.12 5.25 0.25 2.92 1.01 -1.13 -1.73 120.40 127.09 1kmg s VAL 119 Ca -0.03 0.15 0.03 0.00 0.00 0.00 0.00 61.98 62.13 1kmg s VAL 119 Cb -0.09 -3.48 -0.03 0.00 0.00 0.00 0.00 36.38 32.78 1kmg s VAL 119 CO 0.01 0.30 0.39 -1.00 0.00 0.00 0.00 175.10 174.80 1kmg s HIS 120 N 1.44 3.47 0.00 5.22 3.76 0.31 -1.05 115.29 128.43 1kmg s HIS 120 Ca 0.07 0.12 0.00 0.00 -0.15 0.00 0.00 55.06 55.10 1kmg s HIS 120 Cb -0.15 -1.68 0.00 0.00 1.11 0.00 0.00 32.58 31.86 1kmg s HIS 120 CO 0.08 0.38 0.76 -1.91 -0.85 0.00 0.00 174.74 173.20 1kmg n GLU 121 N -1.28 0.00 -2.07 1.40 2.13 0.08 -3.90 120.64 116.99 1kmg n GLU 121 Ca -0.07 0.60 -0.16 0.00 0.66 0.00 0.00 57.16 58.18 1kmg n GLU 121 Cb 0.56 -1.26 0.08 0.00 0.27 0.00 0.00 31.44 31.08 1kmg n GLU 121 CO 0.00 0.00 0.00 1.63 -0.41 0.00 0.00 177.13 178.35 1kmg n LYS 122 N -1.80 0.21 -1.58 5.31 5.02 0.52 -4.65 118.16 121.18 1kmg n LYS 122 Ca 0.00 -1.98 -0.36 0.00 -2.02 0.00 0.00 58.31 53.95 1kmg n LYS 122 Cb 0.00 -0.42 0.08 0.00 -0.02 0.00 0.00 35.03 34.67 1kmg n LYS 122 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1kmg s ALA 123 N -2.96 2.23 1.06 7.82 0.00 -1.23 -0.33 121.76 128.36 1kmg s ALA 123 Ca 0.46 1.05 -0.17 0.00 0.00 0.00 0.00 51.96 53.30 1kmg s ALA 123 Cb -0.03 -3.51 0.23 0.00 0.00 0.00 0.00 23.12 19.81 1kmg s ALA 123 CO 0.31 -1.75 1.22 0.16 0.00 0.00 0.00 175.76 175.69 1kmg s ASP 124 N -1.71 2.17 0.44 0.00 -4.77 -1.26 -4.35 116.67 107.20 1kmg s ASP 124 Ca 0.78 0.48 0.19 0.00 -3.30 0.00 0.00 52.55 50.71 1kmg s ASP 124 Cb -0.33 -0.65 1.04 0.00 -1.09 0.00 0.00 42.92 41.89 1kmg s ASP 124 CO 0.42 -3.33 1.93 -0.78 0.70 0.00 0.00 175.17 174.11 1kmg h ASP 125 N -2.05 0.00 0.00 2.11 1.82 -1.16 -3.48 116.42 113.66 1kmg h ASP 125 Ca -0.45 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.19 1kmg h ASP 125 Cb 1.27 0.00 0.00 0.00 0.68 0.00 0.00 39.33 41.28 1kmg h ASP 125 CO 0.38 0.24 0.00 0.18 -1.61 0.00 0.00 179.24 178.43 1kmg n LEU 126 N -3.87 0.00 -0.18 2.28 7.99 -1.26 -3.95 117.00 118.01 1kmg n LEU 126 Ca -0.02 0.00 0.00 0.00 -0.01 0.00 0.00 56.01 55.98 1kmg n LEU 126 Cb 0.33 0.00 0.00 0.00 -0.11 0.00 0.00 43.42 43.64 1kmg n LEU 126 CO 0.35 0.00 0.00 0.61 -1.51 0.00 0.00 177.39 176.84 1kmg n GLY 127 N -2.00 0.77 0.13 -0.72 0.00 -1.26 -0.69 105.19 101.42 1kmg n GLY 127 Ca 0.00 -0.15 -0.19 0.00 0.00 0.00 0.00 46.02 45.69 1kmg n GLY 127 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1kmg n LYS 128 N -0.18 0.70 -3.17 1.61 5.02 -1.25 -4.90 118.16 115.99 1kmg n LYS 128 Ca 0.00 0.20 -0.11 0.00 -2.02 0.00 0.00 58.31 56.38 1kmg n LYS 128 Cb 0.12 -1.61 0.05 0.00 -0.02 0.00 0.00 35.03 33.57 1kmg n LYS 128 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1kmg n GLY 129 N 2.09 -1.16 0.20 0.72 0.00 -1.26 -4.90 105.19 100.88 1kmg n GLY 129 Ca -0.38 0.54 0.13 0.00 0.00 0.00 0.00 46.02 46.31 1kmg n GLY 129 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1kmg h GLY 130 N -0.66 0.00 -1.83 -0.02 0.00 -1.90 -3.43 103.07 95.23 1kmg h GLY 130 Ca -0.44 0.00 0.34 0.00 0.00 0.00 0.00 47.33 47.23 1kmg h GLY 130 CO 0.40 0.00 0.90 1.16 0.00 0.00 0.00 176.54 179.00 1kmg n ASN 131 N -2.40 -1.22 0.00 0.19 6.94 -1.26 -5.06 115.26 112.45 1kmg n ASN 131 Ca -0.02 -1.27 0.00 0.00 -0.02 0.00 0.00 54.58 53.28 1kmg n ASN 131 Cb 0.11 1.89 0.00 0.00 -2.36 0.00 0.00 39.78 39.42 1kmg n ASN 131 CO 0.00 0.00 0.00 -0.62 -1.03 0.00 0.00 177.26 175.61 1kmg n GLU 132 N -0.92 0.00 -0.18 -3.83 -0.58 -1.26 -1.46 120.64 112.41 1kmg n GLU 132 Ca 0.04 0.33 0.19 0.00 -0.42 0.00 0.00 57.16 57.30 1kmg n GLU 132 Cb 0.58 -0.89 0.55 0.00 -0.57 0.00 0.00 31.44 31.12 1kmg n GLU 132 CO 0.00 0.00 0.00 0.37 -0.48 0.00 0.00 177.13 177.02 1kmg h GLN 133 N 0.00 0.31 0.26 3.49 5.75 -1.99 0.13 115.11 123.07 1kmg h GLN 133 Ca 0.00 -0.02 -0.01 0.00 -0.15 0.00 0.00 58.65 58.47 1kmg h GLN 133 Cb 0.00 -0.07 0.00 0.00 1.07 0.00 0.00 27.48 28.48 1kmg h GLN 133 CO 0.00 0.21 -0.13 0.77 -2.65 0.00 0.00 178.83 177.03 1kmg h SER 134 N 0.32 -0.30 -0.15 -0.69 0.02 -1.79 0.15 113.55 111.11 1kmg h SER 134 Ca 0.40 -0.04 -0.09 0.00 -0.84 0.00 0.00 61.79 61.22 1kmg h SER 134 Cb 1.08 0.08 -0.00 0.00 0.14 0.00 0.00 62.40 63.69 1kmg h SER 134 CO -0.11 -0.15 -0.26 0.00 -1.14 0.00 0.00 176.83 175.17 1kmg h THR 135 N -0.42 1.36 -0.64 -2.27 1.03 -0.16 -2.09 112.91 109.71 1kmg h THR 135 Ca -0.04 -1.50 -0.01 0.00 -0.01 0.00 0.00 66.41 64.86 1kmg h THR 135 Cb 0.32 1.96 -0.03 0.00 -1.07 0.00 0.00 68.15 69.33 1kmg h THR 135 CO 0.06 0.45 0.37 0.11 -0.01 0.00 0.00 175.52 176.50 1kmg h LYS 136 N 0.06 0.88 0.00 0.00 1.79 -0.71 0.19 116.57 118.79 1kmg h LYS 136 Ca 0.01 -0.09 0.00 0.00 -2.18 0.00 0.00 60.65 58.39 1kmg h LYS 136 Cb 0.84 -0.18 0.00 0.00 -1.58 0.00 0.00 32.23 31.31 1kmg h LYS 136 CO 0.06 0.65 -0.59 0.25 -1.08 0.00 0.00 179.45 178.73 1kmg n THR 137 N -4.57 0.00 0.00 -0.16 -2.24 0.26 -4.59 114.28 102.99 1kmg n THR 137 Ca 0.05 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.83 1kmg n THR 137 Cb 0.07 -0.93 0.00 0.00 -2.10 0.00 0.00 70.33 67.37 1kmg n THR 137 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1kmg n GLY 138 N 2.44 0.46 3.99 3.38 0.00 0.22 -4.49 105.19 111.19 1kmg n GLY 138 Ca 0.00 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.69 1kmg n GLY 138 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1kmg n ASN 139 N 0.00 -2.20 0.17 1.61 5.15 -1.14 -0.76 115.26 118.08 1kmg n ASN 139 Ca 0.00 -1.14 0.05 0.00 -0.60 0.00 0.00 54.58 52.89 1kmg n ASN 139 Cb 0.00 -2.50 0.49 0.00 -0.53 0.00 0.00 39.78 37.23 1kmg n ASN 139 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1kmg h ALA 140 N 1.03 1.71 0.00 5.20 0.00 -1.90 -3.41 119.26 121.89 1kmg h ALA 140 Ca -0.67 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.12 1kmg h ALA 140 Cb 1.38 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 19.11 1kmg h ALA 140 CO 0.58 0.22 0.00 0.41 0.00 0.00 0.00 179.25 180.46 1kmg n GLY 141 N -1.16 -0.84 3.66 0.00 0.00 -1.26 -0.35 105.19 105.24 1kmg n GLY 141 Ca -0.01 -1.69 -0.35 0.00 0.00 0.00 0.00 46.02 43.97 1kmg n GLY 141 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1kmg n SER 142 N -0.90 0.91 -4.74 1.61 7.64 -1.26 -4.28 113.62 112.60 1kmg n SER 142 Ca 0.00 0.66 -0.42 0.00 1.01 0.00 0.00 58.87 60.12 1kmg n SER 142 Cb 0.00 -1.47 -0.02 0.00 -1.01 0.00 0.00 64.21 61.72 1kmg n SER 142 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 1kmg n ARG 143 N -2.39 2.72 0.00 1.43 5.12 -1.26 -0.74 116.66 121.54 1kmg n ARG 143 Ca 0.14 0.97 0.00 0.00 -1.93 0.00 0.00 57.85 57.02 1kmg n ARG 143 Cb 0.50 -2.76 0.00 0.00 -1.16 0.00 0.00 32.46 29.04 1kmg n ARG 143 CO 0.00 0.00 0.00 1.28 -1.93 0.00 0.00 177.63 176.98 1kmg n LEU 144 N 2.35 0.00 -4.93 0.55 4.77 -0.22 -4.81 117.00 114.72 1kmg n LEU 144 Ca 0.09 0.00 -0.27 0.00 -0.03 0.00 0.00 56.01 55.80 1kmg n LEU 144 Cb 0.37 -0.18 -0.03 0.00 -2.33 0.00 0.00 43.42 41.24 1kmg n LEU 144 CO 0.64 -0.38 0.05 0.00 -1.33 0.00 0.00 177.39 176.37 1kmg s ALA 145 N -2.72 3.81 0.04 -1.18 0.00 -1.15 -0.17 121.76 120.39 1kmg s ALA 145 Ca 0.00 -0.82 0.02 0.00 0.00 0.00 0.00 51.96 51.16 1kmg s ALA 145 Cb 0.00 -2.02 -0.02 0.00 0.00 0.00 0.00 23.12 21.07 1kmg s ALA 145 CO 0.00 0.38 -0.08 0.00 0.00 0.00 0.00 175.76 176.07 1kmg s GLY 147 N -1.66 -0.40 0.22 0.00 0.00 -0.62 -0.93 107.32 103.94 1kmg s GLY 147 Ca -0.09 1.32 -0.31 0.00 0.00 0.00 0.00 44.72 45.64 1kmg s GLY 147 CO 0.00 2.52 1.54 0.14 0.00 0.00 0.00 173.10 177.30 1kmg s VAL 148 N 2.60 2.49 -0.10 1.40 1.01 -1.26 -1.07 120.40 125.47 1kmg s VAL 148 Ca 0.04 0.38 -0.02 0.00 0.00 0.00 0.00 61.98 62.37 1kmg s VAL 148 Cb -0.13 -3.24 -0.03 0.00 0.00 0.00 0.00 36.38 32.97 1kmg s VAL 148 CO -0.14 0.05 0.01 -0.51 0.00 0.00 0.00 175.10 174.51 1kmg s ILE 149 N 0.49 4.36 0.00 2.22 2.07 -0.27 -4.40 121.20 125.67 1kmg s ILE 149 Ca 0.65 -0.22 0.00 0.00 -1.41 0.00 0.00 60.65 59.67 1kmg s ILE 149 Cb -0.44 -2.85 0.00 0.00 0.13 0.00 0.00 42.46 39.30 1kmg s ILE 149 CO 0.39 0.59 0.00 0.61 -1.91 0.00 0.00 174.94 174.62 1kmg n GLY 150 N 2.28 -0.75 2.69 1.50 0.00 0.41 -0.67 105.19 110.66 1kmg n GLY 150 Ca -0.19 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.43 1kmg n GLY 150 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1kmg n ILE 151 N 0.00 5.60 -3.75 -0.61 2.08 0.33 -4.45 119.36 118.55 1kmg n ILE 151 Ca 0.00 -5.61 -0.09 0.00 0.56 0.00 0.00 62.75 57.61 1kmg n ILE 151 Cb 0.00 -1.50 -0.04 0.00 -0.75 0.00 0.00 39.64 37.35 1kmg n ILE 151 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 1kmg s ALA 152 N -4.21 -0.96 0.00 -1.39 0.00 -1.26 -4.24 121.76 109.70 1kmg s ALA 152 Ca 0.42 -0.23 0.00 0.00 0.00 0.00 0.00 51.96 52.15 1kmg s ALA 152 Cb 0.24 0.87 0.00 0.00 0.00 0.00 0.00 23.12 24.23 1kmg s ALA 152 CO -0.19 -0.83 0.09 1.04 0.00 0.00 0.00 175.76 175.87