#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kgz s LEU 19 N 0.00 1.82 -0.31 1.04 2.96 -1.26 -5.10 118.68 117.83 3kgz s LEU 19 Ca 0.00 -0.48 0.04 0.00 -0.22 0.00 0.00 54.13 53.47 3kgz s LEU 19 Cb 0.00 -1.19 0.09 0.00 0.50 0.00 0.00 46.19 45.59 3kgz s LEU 19 CO 0.00 0.03 -0.00 -0.13 -1.32 0.00 0.00 176.35 174.92 3kgz s ARG 20 N 0.97 1.73 0.34 1.98 0.52 -1.26 -5.07 118.95 118.16 3kgz s ARG 20 Ca -0.06 -1.69 -0.28 0.00 -0.52 0.00 0.00 55.73 53.18 3kgz s ARG 20 Cb -0.15 -3.09 -0.09 0.00 0.52 0.00 0.00 34.95 32.14 3kgz s ARG 20 CO -0.02 -0.81 1.16 0.00 0.02 0.00 0.00 175.30 175.65 3kgz s ALA 21 N 0.97 3.33 0.27 2.13 0.00 -1.26 -4.73 121.76 122.48 3kgz s ALA 21 Ca 0.04 0.99 -0.30 0.00 0.00 0.00 0.00 51.96 52.69 3kgz s ALA 21 Cb -0.19 -3.37 -0.10 0.00 0.00 0.00 0.00 23.12 19.45 3kgz s ALA 21 CO -0.07 -0.39 1.37 -1.14 0.00 0.00 0.00 175.76 175.53 3kgz s GLN 22 N -1.86 4.32 -0.01 0.00 0.74 -1.26 -1.24 119.66 120.34 3kgz s GLN 22 Ca 0.50 2.23 0.08 0.00 0.05 0.00 0.00 55.36 58.22 3kgz s GLN 22 Cb -0.33 -3.11 -0.12 0.00 1.10 0.00 0.00 33.01 30.55 3kgz s GLN 22 CO 0.42 -0.31 0.17 0.25 -0.55 0.00 0.00 175.29 175.27 3kgz n THR 23 N 1.79 0.01 -3.68 -0.34 -2.24 0.36 -4.88 114.28 105.30 3kgz n THR 23 Ca 0.04 -0.18 -0.08 0.00 -2.27 0.00 0.00 64.05 61.56 3kgz n THR 23 Cb 0.41 0.30 -0.02 0.00 -2.10 0.00 0.00 70.33 68.92 3kgz n THR 23 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3kgz s ALA 24 N -2.54 -1.44 0.09 6.98 0.00 -1.17 -5.01 121.76 118.66 3kgz s ALA 24 Ca -0.03 0.10 -0.34 0.00 0.00 0.00 0.00 51.96 51.69 3kgz s ALA 24 Cb 0.05 0.80 -0.13 0.00 0.00 0.00 0.00 23.12 23.84 3kgz s ALA 24 CO 0.33 -0.93 1.68 -2.30 0.00 0.00 0.00 175.76 174.53 3kgz n PRO 25 N -0.42 2.21 -1.72 0.00 -0.02 -1.26 -1.29 135.00 132.50 3kgz n PRO 25 Ca -0.09 0.80 -0.16 0.00 -2.02 0.00 0.00 63.50 62.03 3kgz n PRO 25 Cb 0.61 -2.60 -0.05 0.00 -0.02 0.00 0.00 33.50 31.44 3kgz n PRO 25 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3kgz n GLY 26 N 3.74 1.05 2.94 -1.23 0.00 -1.26 -5.00 105.19 105.42 3kgz n GLY 26 Ca 0.19 -0.24 -0.16 0.00 0.00 0.00 0.00 46.02 45.81 3kgz n GLY 26 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3kgz s ARG 27 N -3.79 0.38 0.03 1.61 1.81 -0.41 -5.08 118.95 113.50 3kgz s ARG 27 Ca 0.00 -0.15 0.02 0.00 -1.72 0.00 0.00 55.73 53.89 3kgz s ARG 27 Cb 0.00 -0.39 -0.02 0.00 -0.45 0.00 0.00 34.95 34.10 3kgz s ARG 27 CO 0.00 0.08 -0.07 -1.58 -0.68 0.00 0.00 175.30 173.04 3kgz s TRP 28 N 0.01 0.63 0.12 -0.53 0.51 -1.26 -0.48 118.94 117.92 3kgz s TRP 28 Ca 0.00 -0.41 -0.33 0.00 -2.12 0.00 0.00 56.10 53.24 3kgz s TRP 28 Cb -0.03 -0.38 -0.13 0.00 -0.81 0.00 0.00 33.47 32.12 3kgz s TRP 28 CO -0.00 -0.07 1.71 -0.25 -0.51 0.00 0.00 176.95 177.83 3kgz n ASP 29 N 1.79 3.48 -0.01 2.95 8.00 -0.38 -2.52 116.55 129.86 3kgz n ASP 29 Ca -0.21 1.04 -0.00 0.00 0.71 0.00 0.00 54.79 56.33 3kgz n ASP 29 Cb 0.55 -1.46 -0.00 0.00 -0.02 0.00 0.00 41.12 40.19 3kgz n ASP 29 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3kgz n GLY 30 N 3.83 0.45 3.18 0.44 0.00 -1.26 -4.54 105.19 107.29 3kgz n GLY 30 Ca 0.18 -0.04 -0.33 0.00 0.00 0.00 0.00 46.02 45.83 3kgz n GLY 30 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3kgz s VAL 31 N -1.89 2.26 -0.02 1.61 1.01 -1.05 -5.11 120.40 117.21 3kgz s VAL 31 Ca 0.00 -0.89 -0.16 0.00 0.00 0.00 0.00 61.98 60.93 3kgz s VAL 31 Cb 0.00 -1.94 -0.06 0.00 0.00 0.00 0.00 36.38 34.38 3kgz s VAL 31 CO 0.00 0.53 0.45 0.00 0.00 0.00 0.00 175.10 176.08 3kgz s ALA 32 N 1.05 3.63 -0.11 5.51 0.00 -1.26 -4.60 121.76 125.97 3kgz s ALA 32 Ca -0.01 -0.17 -0.25 0.00 0.00 0.00 0.00 51.96 51.53 3kgz s ALA 32 Cb -0.14 -2.48 -0.03 0.00 0.00 0.00 0.00 23.12 20.47 3kgz s ALA 32 CO -0.06 0.36 0.78 0.08 0.00 0.00 0.00 175.76 176.92 3kgz s VAL 33 N -0.69 4.96 -0.35 0.00 1.01 -1.26 -4.54 120.40 119.53 3kgz s VAL 33 Ca 0.25 1.58 0.02 0.00 0.00 0.00 0.00 61.98 63.83 3kgz s VAL 33 Cb -0.17 -4.11 0.10 0.00 0.00 0.00 0.00 36.38 32.20 3kgz s VAL 33 CO 0.13 0.14 0.07 -0.04 0.00 0.00 0.00 175.10 175.40 3kgz s MET 34 N 1.45 1.66 0.45 2.72 -1.94 -0.15 -4.96 119.30 118.53 3kgz s MET 34 Ca 0.39 -1.82 -0.23 0.00 -1.71 0.00 0.00 55.69 52.32 3kgz s MET 34 Cb -0.17 -3.27 -0.08 0.00 2.01 0.00 0.00 34.83 33.32 3kgz s MET 34 CO 0.16 -0.94 1.13 -2.14 -0.01 0.00 0.00 175.02 173.23 3kgz s PRO 35 N 0.97 3.82 0.22 2.03 0.02 -1.26 -1.05 135.00 139.75 3kgz s PRO 35 Ca 0.09 1.68 -0.30 0.00 0.02 0.00 0.00 61.00 62.49 3kgz s PRO 35 Cb -0.20 -2.39 -0.08 0.00 0.02 0.00 0.00 34.50 31.85 3kgz s PRO 35 CO -0.07 -0.48 0.97 0.71 -0.33 0.00 0.00 177.00 177.81 3kgz s TYR 36 N -1.61 3.89 -0.03 6.54 2.02 0.30 -4.90 117.35 123.55 3kgz s TYR 36 Ca 0.63 1.85 -0.30 0.00 -0.37 0.00 0.00 57.07 58.89 3kgz s TYR 36 Cb -0.26 -3.05 -0.05 0.00 -0.40 0.00 0.00 41.96 38.21 3kgz s TYR 36 CO 0.32 0.23 1.35 0.21 -1.57 0.00 0.00 175.55 176.09 3kgz s LYS 37 N -0.98 4.29 -0.58 -0.62 2.47 -1.26 -4.78 119.74 118.28 3kgz s LYS 37 Ca 0.43 1.88 -0.19 0.00 -1.56 0.00 0.00 55.97 56.53 3kgz s LYS 37 Cb -0.27 -3.61 0.10 0.00 -1.46 0.00 0.00 37.83 32.59 3kgz s LYS 37 CO 0.33 -0.57 0.68 -1.14 0.16 0.00 0.00 175.35 174.80 3kgz s GLN 38 N 2.55 3.05 0.07 4.03 2.00 -1.26 -5.01 119.66 125.09 3kgz s GLN 38 Ca 0.62 -1.31 0.01 0.00 -2.00 0.00 0.00 55.36 52.68 3kgz s GLN 38 Cb -0.29 -4.25 -0.04 0.00 0.80 0.00 0.00 33.01 29.23 3kgz s GLN 38 CO 0.24 -1.49 0.17 0.95 -0.50 0.00 0.00 175.29 174.66 3kgz s THR 39 N 2.59 5.07 0.39 -0.34 -4.23 -1.26 -5.01 115.64 112.85 3kgz s THR 39 Ca 0.11 -0.55 0.17 0.00 -1.18 0.00 0.00 61.69 60.24 3kgz s THR 39 Cb -0.24 -3.47 0.38 0.00 1.34 0.00 0.00 72.50 70.50 3kgz s THR 39 CO 0.07 0.12 1.78 0.00 -0.54 0.00 0.00 174.62 176.04 3kgz h ALA 40 N 3.09 2.17 0.00 3.99 0.00 -2.00 0.62 119.26 127.13 3kgz h ALA 40 Ca -0.46 0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.51 3kgz h ALA 40 Cb 1.16 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.96 3kgz h ALA 40 CO 0.72 -0.55 0.00 -0.85 0.00 0.00 0.00 179.25 178.56 3kgz n GLU 41 N -4.63 0.56 -1.97 0.00 -0.00 -1.26 -4.98 120.64 108.36 3kgz n GLU 41 Ca 0.24 0.01 -0.41 0.00 -0.00 0.00 0.00 57.16 57.00 3kgz n GLU 41 Cb 0.82 -1.50 -0.02 0.00 -0.00 0.00 0.00 31.44 30.74 3kgz n GLU 41 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 3kgz s ALA 42 N -2.40 3.62 -2.00 -1.84 0.00 0.22 -4.88 121.76 114.47 3kgz s ALA 42 Ca 0.32 1.38 0.05 0.00 0.00 0.00 0.00 51.96 53.71 3kgz s ALA 42 Cb 0.20 -3.56 0.28 0.00 0.00 0.00 0.00 23.12 20.03 3kgz s ALA 42 CO 0.41 -0.79 1.18 -0.35 0.00 0.00 0.00 175.76 176.21 3kgz n PRO 43 N 1.90 1.06 -4.24 0.00 -0.04 -1.26 -4.81 135.00 127.61 3kgz n PRO 43 Ca 0.05 -0.09 -0.14 0.00 -0.04 0.00 0.00 63.50 63.29 3kgz n PRO 43 Cb 0.40 -1.09 -0.10 0.00 -0.04 0.00 0.00 33.50 32.67 3kgz n PRO 43 CO 0.00 0.00 0.00 -0.59 -0.04 0.00 0.00 175.50 174.87 3kgz s PHE 44 N -1.97 1.24 -0.08 0.54 -0.71 -1.26 -4.13 117.98 111.61 3kgz s PHE 44 Ca 0.08 -1.12 -0.03 0.00 -1.04 0.00 0.00 56.93 54.82 3kgz s PHE 44 Cb 0.04 -0.70 0.04 0.00 -1.21 0.00 0.00 43.02 41.19 3kgz s PHE 44 CO 0.06 -0.32 0.12 -1.14 -1.34 0.00 0.00 175.22 172.60 3kgz s GLN 45 N -3.98 -0.00 -1.01 1.99 0.74 0.00 -4.94 119.66 112.46 3kgz s GLN 45 Ca 0.28 0.40 -0.07 0.00 0.05 0.00 0.00 55.36 56.03 3kgz s GLN 45 Cb 0.07 -0.59 -0.05 0.00 1.10 0.00 0.00 33.01 33.54 3kgz s GLN 45 CO 0.07 -0.38 0.87 -0.25 -0.55 0.00 0.00 175.29 175.05 3kgz n ASP 46 N 5.31 -6.66 -4.27 6.67 8.00 -1.26 -1.59 116.55 122.76 3kgz n ASP 46 Ca -0.04 -0.65 -0.28 0.00 0.71 0.00 0.00 54.79 54.53 3kgz n ASP 46 Cb 0.50 -4.97 -0.15 0.00 -0.02 0.00 0.00 41.12 36.47 3kgz n ASP 46 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 3kgz s VAL 47 N -3.33 1.81 0.20 2.53 1.01 -1.26 -0.13 120.40 121.22 3kgz s VAL 47 Ca 0.39 -1.09 0.06 0.00 0.00 0.00 0.00 61.98 61.33 3kgz s VAL 47 Cb -0.06 -1.53 -0.05 0.00 0.00 0.00 0.00 36.38 34.74 3kgz s VAL 47 CO 0.76 0.41 -0.10 -0.94 0.00 0.00 0.00 175.10 175.23 3kgz s SER 48 N -0.80 2.19 0.07 3.32 1.04 -0.44 -0.54 113.70 118.53 3kgz s SER 48 Ca 0.09 -1.07 0.05 0.00 0.48 0.00 0.00 55.95 55.50 3kgz s SER 48 Cb -0.09 -0.07 -0.03 0.00 0.10 0.00 0.00 66.02 65.93 3kgz s SER 48 CO 0.00 -0.31 -0.15 0.00 0.98 0.00 0.00 173.24 173.77 3kgz s ARG 49 N -3.73 0.87 -0.02 4.02 1.70 -0.21 -1.70 118.95 119.89 3kgz s ARG 49 Ca 0.22 -0.93 0.00 0.00 -0.47 0.00 0.00 55.73 54.56 3kgz s ARG 49 Cb 0.02 -0.90 0.02 0.00 -0.57 0.00 0.00 34.95 33.51 3kgz s ARG 49 CO 0.05 0.21 -0.00 -0.65 -1.08 0.00 0.00 175.30 173.83 3kgz s GLN 50 N -1.62 0.18 -0.41 3.89 -0.21 -0.31 -0.97 119.66 120.21 3kgz s GLN 50 Ca -0.00 0.04 -0.17 0.00 0.02 0.00 0.00 55.36 55.24 3kgz s GLN 50 Cb -0.10 -0.31 0.02 0.00 1.00 0.00 0.00 33.01 33.63 3kgz s GLN 50 CO 0.02 -0.07 0.45 -1.17 -2.12 0.00 0.00 175.29 172.39 3kgz s LEU 51 N 0.62 4.77 -0.18 2.90 2.96 -1.26 -1.03 118.68 127.46 3kgz s LEU 51 Ca -0.06 -0.58 -0.20 0.00 -0.22 0.00 0.00 54.13 53.08 3kgz s LEU 51 Cb -0.09 -2.41 -0.22 0.00 0.50 0.00 0.00 46.19 43.98 3kgz s LEU 51 CO -0.01 -0.56 0.32 -0.07 -1.32 0.00 0.00 176.35 174.71 3kgz h LEU 52 N 9.06 0.10 -7.52 -0.68 3.38 -1.44 -3.47 115.31 114.74 3kgz h LEU 52 Ca -0.27 -0.65 -0.27 0.00 0.09 0.00 0.00 57.88 56.79 3kgz h LEU 52 Cb 1.11 -0.03 -0.32 0.00 0.09 0.00 0.00 40.66 41.51 3kgz h LEU 52 CO 0.79 1.51 -0.68 -0.36 0.09 0.00 0.00 178.44 179.79 3kgz s PHE 53 N -2.39 -0.04 -0.20 1.13 0.08 -0.78 -5.00 117.98 110.78 3kgz s PHE 53 Ca -0.26 0.23 -0.12 0.00 0.12 0.00 0.00 56.93 56.90 3kgz s PHE 53 Cb 0.05 -0.15 0.06 0.00 -0.57 0.00 0.00 43.02 42.42 3kgz s PHE 53 CO 0.64 -0.10 0.50 0.00 -0.10 0.00 0.00 175.22 176.16 3kgz s ALA 54 N 0.91 -1.29 -0.08 5.36 0.00 -1.26 -1.47 121.76 123.94 3kgz s ALA 54 Ca -0.07 1.72 -0.25 0.00 0.00 0.00 0.00 51.96 53.36 3kgz s ALA 54 Cb -0.10 -1.03 0.06 0.00 0.00 0.00 0.00 23.12 22.04 3kgz s ALA 54 CO -0.03 -0.29 0.57 0.34 0.00 0.00 0.00 175.76 176.35 3kgz s ASP 55 N 1.24 -0.53 0.56 0.00 2.15 -1.26 -5.03 116.67 113.80 3kgz s ASP 55 Ca -0.08 0.65 0.24 0.00 0.43 0.00 0.00 52.55 53.80 3kgz s ASP 55 Cb -0.07 0.62 1.59 0.00 -0.30 0.00 0.00 42.92 44.76 3kgz s ASP 55 CO -0.12 -0.49 2.19 -0.65 -0.17 0.00 0.00 175.17 175.94 3kgz h PRO 56 N 3.68 0.00 -0.13 4.34 0.11 -2.02 -1.09 132.00 136.89 3kgz h PRO 56 Ca -0.28 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.83 3kgz h PRO 56 Cb 1.16 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.27 3kgz h PRO 56 CO 0.34 0.00 0.00 0.09 -0.21 0.00 0.00 178.00 178.22 3kgz n ASN 57 N -4.12 1.64 -4.39 -2.05 3.02 -1.26 -4.83 115.26 103.26 3kgz n ASN 57 Ca -0.02 -1.66 -0.34 0.00 -0.03 0.00 0.00 54.58 52.54 3kgz n ASN 57 Cb 0.13 -0.08 -0.14 0.00 -0.61 0.00 0.00 39.78 39.08 3kgz n ASN 57 CO 0.00 0.00 0.00 -0.22 -2.62 0.00 0.00 177.26 174.42 3kgz s LEU 58 N -1.68 2.92 0.16 3.41 2.96 -0.41 -4.99 118.68 121.05 3kgz s LEU 58 Ca 0.34 -0.28 0.26 0.00 -0.22 0.00 0.00 54.13 54.23 3kgz s LEU 58 Cb 0.18 -1.69 0.92 0.00 0.50 0.00 0.00 46.19 46.10 3kgz s LEU 58 CO 0.28 0.12 1.79 0.00 -1.32 0.00 0.00 176.35 177.22 3kgz n ALA 59 N 3.83 2.19 -2.45 5.97 0.00 -1.26 -4.55 120.51 124.24 3kgz n ALA 59 Ca -0.18 -0.03 -0.22 0.00 0.00 0.00 0.00 53.44 53.01 3kgz n ALA 59 Cb 0.52 -1.45 -0.10 0.00 0.00 0.00 0.00 19.45 18.42 3kgz n ALA 59 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3kgz s GLU 61 N -3.65 2.05 -0.18 0.00 2.02 -0.15 -4.70 118.70 114.09 3kgz s GLU 61 Ca 0.29 -1.01 0.01 0.00 0.02 0.00 0.00 54.97 54.27 3kgz s GLU 61 Cb 0.01 -2.21 0.03 0.00 0.10 0.00 0.00 34.13 32.07 3kgz s GLU 61 CO 0.13 0.53 -0.12 -0.46 0.02 0.00 0.00 175.26 175.35 3kgz s TRP 62 N -1.02 2.32 0.35 1.61 -0.11 -0.54 -2.03 118.94 119.51 3kgz s TRP 62 Ca 0.16 -1.45 0.09 0.00 1.22 0.00 0.00 56.10 56.13 3kgz s TRP 62 Cb -0.11 -1.62 -0.07 0.00 -1.50 0.00 0.00 33.47 30.17 3kgz s TRP 62 CO 0.08 -0.72 -0.08 1.03 -4.62 0.00 0.00 176.95 172.64 3kgz s ARG 63 N 1.43 1.81 -0.11 5.86 0.52 0.35 -1.09 118.95 127.73 3kgz s ARG 63 Ca 0.01 -1.95 0.01 0.00 -0.52 0.00 0.00 55.73 53.29 3kgz s ARG 63 Cb -0.15 -1.65 0.02 0.00 0.52 0.00 0.00 34.95 33.69 3kgz s ARG 63 CO -0.09 0.11 -0.12 -0.47 0.02 0.00 0.00 175.30 174.75 3kgz s TYR 64 N -2.66 1.77 -0.09 -0.53 5.04 -0.20 -0.60 117.35 120.08 3kgz s TYR 64 Ca 0.33 -0.85 -0.02 0.00 -2.44 0.00 0.00 57.07 54.09 3kgz s TYR 64 Cb 0.03 -1.33 -0.03 0.00 0.35 0.00 0.00 41.96 40.98 3kgz s TYR 64 CO 0.16 -0.48 0.01 -0.06 -1.34 0.00 0.00 175.55 173.84 3kgz s PHE 65 N 1.22 3.19 -0.11 4.97 0.08 0.05 -1.16 117.98 126.22 3kgz s PHE 65 Ca -0.03 0.22 0.01 0.00 0.12 0.00 0.00 56.93 57.25 3kgz s PHE 65 Cb -0.14 -1.80 0.02 0.00 -0.57 0.00 0.00 43.02 40.53 3kgz s PHE 65 CO -0.04 0.49 -0.14 -2.00 -0.10 0.00 0.00 175.22 173.43 3kgz s GLU 66 N -0.88 2.06 -0.28 0.44 2.12 -0.69 -0.62 118.70 120.84 3kgz s GLU 66 Ca 0.13 -0.50 -0.08 0.00 0.36 0.00 0.00 54.97 54.88 3kgz s GLU 66 Cb -0.11 -1.80 -0.02 0.00 0.26 0.00 0.00 34.13 32.46 3kgz s GLU 66 CO 0.02 -0.10 0.11 0.08 -0.54 0.00 0.00 175.26 174.83 3kgz s VAL 67 N 1.09 4.40 0.81 3.70 1.01 0.14 -1.33 120.40 130.22 3kgz s VAL 67 Ca -0.05 -0.33 -0.13 0.00 0.00 0.00 0.00 61.98 61.47 3kgz s VAL 67 Cb -0.14 -3.16 0.08 0.00 0.00 0.00 0.00 36.38 33.16 3kgz s VAL 67 CO -0.03 0.20 1.19 -1.81 0.00 0.00 0.00 175.10 174.64 3kgz s ASP 68 N 1.60 3.68 0.07 3.32 1.01 0.81 -1.38 116.67 125.78 3kgz s ASP 68 Ca 0.05 2.29 -0.36 0.00 0.71 0.00 0.00 52.55 55.24 3kgz s ASP 68 Cb -0.16 -2.58 -0.15 0.00 1.01 0.00 0.00 42.92 41.04 3kgz s ASP 68 CO 0.05 -2.60 1.53 1.21 0.21 0.00 0.00 175.17 175.56 3kgz n GLU 69 N -3.35 1.67 0.00 8.23 2.13 -1.26 -0.31 120.64 127.76 3kgz n GLU 69 Ca 0.13 0.60 0.00 0.00 0.66 0.00 0.00 57.16 58.55 3kgz n GLU 69 Cb 0.51 -2.32 0.00 0.00 0.27 0.00 0.00 31.44 29.89 3kgz n GLU 69 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 3kgz n GLY 70 N 3.23 2.22 3.01 8.31 0.00 -0.07 -4.98 105.19 116.92 3kgz n GLY 70 Ca 0.19 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 46.00 3kgz n GLY 70 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3kgz n GLY 71 N -2.00 -0.50 3.42 -0.02 0.00 0.58 -4.81 105.19 101.86 3kgz n GLY 71 Ca 0.00 -1.84 -0.15 0.00 0.00 0.00 0.00 46.02 44.03 3kgz n GLY 71 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 3kgz s TYR 72 N -2.86 -0.48 0.63 1.61 -0.85 -0.62 -1.50 117.35 113.28 3kgz s TYR 72 Ca 0.56 0.65 -0.07 0.00 -0.52 0.00 0.00 57.07 57.68 3kgz s TYR 72 Cb -0.02 0.35 0.02 0.00 0.38 0.00 0.00 41.96 42.68 3kgz s TYR 72 CO 0.38 -0.61 0.96 -1.54 -1.52 0.00 0.00 175.55 173.21 3kgz s SER 73 N -1.69 5.43 0.17 -0.18 1.04 -0.17 -0.82 113.70 117.47 3kgz s SER 73 Ca -0.08 0.74 -0.30 0.00 0.48 0.00 0.00 55.95 56.79 3kgz s SER 73 Cb -0.01 -1.64 -0.07 0.00 0.10 0.00 0.00 66.02 64.40 3kgz s SER 73 CO 0.02 -1.21 1.10 0.42 0.98 0.00 0.00 173.24 174.55 3kgz s THR 74 N -3.10 3.91 -0.04 2.02 -4.23 -1.26 -4.53 115.64 108.42 3kgz s THR 74 Ca 0.56 1.62 -0.30 0.00 -1.18 0.00 0.00 61.69 62.39 3kgz s THR 74 Cb -0.11 -4.04 -0.05 0.00 1.34 0.00 0.00 72.50 69.65 3kgz s THR 74 CO 0.46 0.27 1.51 -0.22 -0.54 0.00 0.00 174.62 176.10 3kgz s LEU 75 N -0.24 4.30 0.24 4.79 2.96 -1.26 -4.67 118.68 124.80 3kgz s LEU 75 Ca 0.50 2.14 -0.22 0.00 -0.22 0.00 0.00 54.13 56.33 3kgz s LEU 75 Cb -0.29 -3.55 0.03 0.00 0.50 0.00 0.00 46.19 42.89 3kgz s LEU 75 CO 0.34 -0.83 0.74 -1.83 -1.32 0.00 0.00 176.35 173.45 3kgz s GLU 76 N 3.26 1.62 0.13 1.98 -1.05 -1.03 -4.44 118.70 119.17 3kgz s GLU 76 Ca 0.67 -0.86 -0.08 0.00 -0.15 0.00 0.00 54.97 54.55 3kgz s GLU 76 Cb -0.32 0.58 -0.01 0.00 -0.44 0.00 0.00 34.13 33.94 3kgz s GLU 76 CO 0.26 -0.74 0.23 -0.98 0.95 0.00 0.00 175.26 174.98 3kgz s ARG 77 N -3.80 1.03 0.04 -4.83 1.70 -0.67 -1.31 118.95 111.11 3kgz s ARG 77 Ca 0.10 -1.12 -0.28 0.00 -0.47 0.00 0.00 55.73 53.95 3kgz s ARG 77 Cb -0.05 0.35 0.09 0.00 -0.57 0.00 0.00 34.95 34.78 3kgz s ARG 77 CO 0.03 -0.35 0.95 -3.38 -1.08 0.00 0.00 175.30 171.47 3kgz s HIS 78 N -3.94 -0.24 0.19 5.89 -3.43 -1.26 -0.22 115.29 112.28 3kgz s HIS 78 Ca 0.14 0.05 -0.10 0.00 -0.80 0.00 0.00 55.06 54.34 3kgz s HIS 78 Cb 0.04 0.57 0.11 0.00 -1.43 0.00 0.00 32.58 31.87 3kgz s HIS 78 CO -0.04 -0.62 1.73 0.00 -2.00 0.00 0.00 174.74 173.82 3kgz h ALA 79 N 2.00 0.90 -2.74 -1.38 0.00 -1.91 0.27 119.26 116.39 3kgz h ALA 79 Ca -0.23 -0.21 -0.51 0.00 0.00 0.00 0.00 54.91 53.96 3kgz h ALA 79 Cb 1.23 -0.27 0.08 0.00 0.00 0.00 0.00 17.79 18.83 3kgz h ALA 79 CO 0.28 0.56 0.50 -3.38 0.00 0.00 0.00 179.25 177.21 3kgz s HIS 80 N -5.44 2.76 0.44 0.00 -3.43 -1.26 -4.20 115.29 104.16 3kgz s HIS 80 Ca -0.12 1.51 -0.03 0.00 -0.80 0.00 0.00 55.06 55.62 3kgz s HIS 80 Cb 0.14 -3.44 -0.03 0.00 -1.43 0.00 0.00 32.58 27.82 3kgz s HIS 80 CO 0.83 -1.75 0.71 0.14 -2.00 0.00 0.00 174.74 172.67 3kgz s VAL 81 N -1.52 4.78 -0.05 -5.38 -7.23 -1.26 -4.69 120.40 105.05 3kgz s VAL 81 Ca 0.66 -0.10 0.05 0.00 -1.81 0.00 0.00 61.98 60.78 3kgz s VAL 81 Cb -0.30 -3.79 -0.01 0.00 0.56 0.00 0.00 36.38 32.84 3kgz s VAL 81 CO 0.36 -0.68 -0.19 -1.00 -0.31 0.00 0.00 175.10 173.28 3kgz s HIS 82 N -2.61 1.88 -0.27 2.82 3.76 -0.89 -4.63 115.29 115.35 3kgz s HIS 82 Ca 0.46 -0.54 -0.05 0.00 -0.15 0.00 0.00 55.06 54.77 3kgz s HIS 82 Cb -0.10 -1.26 0.01 0.00 1.11 0.00 0.00 32.58 32.34 3kgz s HIS 82 CO 0.41 -0.17 0.03 0.00 -0.85 0.00 0.00 174.74 174.16 3kgz s ALA 83 N -0.03 2.97 -0.02 -1.40 0.00 -0.72 -1.11 121.76 121.44 3kgz s ALA 83 Ca -0.03 -1.37 0.08 0.00 0.00 0.00 0.00 51.96 50.63 3kgz s ALA 83 Cb -0.12 -1.98 -0.02 0.00 0.00 0.00 0.00 23.12 21.00 3kgz s ALA 83 CO 0.02 -0.78 -0.26 0.08 0.00 0.00 0.00 175.76 174.83 3kgz s VAL 84 N 1.48 2.03 -0.05 0.00 1.01 0.18 -0.55 120.40 124.49 3kgz s VAL 84 Ca 0.03 -1.09 0.02 0.00 0.00 0.00 0.00 61.98 60.94 3kgz s VAL 84 Cb -0.16 -1.69 0.01 0.00 0.00 0.00 0.00 36.38 34.54 3kgz s VAL 84 CO 0.00 0.57 -0.10 -0.32 0.00 0.00 0.00 175.10 175.25 3kgz s MET 85 N -0.55 1.34 0.20 2.72 1.75 -0.62 -0.91 119.30 123.23 3kgz s MET 85 Ca 0.08 -0.35 -0.30 0.00 -1.25 0.00 0.00 55.69 53.87 3kgz s MET 85 Cb -0.10 -1.17 -0.08 0.00 2.84 0.00 0.00 34.83 36.31 3kgz s MET 85 CO -0.00 0.06 1.22 0.42 -0.65 0.00 0.00 175.02 176.06 3kgz s ILE 86 N 0.49 3.45 -0.05 10.11 -1.09 -0.39 -0.24 121.20 133.48 3kgz s ILE 86 Ca -0.10 1.24 0.06 0.00 -2.23 0.00 0.00 60.65 59.63 3kgz s ILE 86 Cb -0.13 -3.79 -0.09 0.00 -1.58 0.00 0.00 42.46 36.87 3kgz s ILE 86 CO 0.02 0.21 0.05 1.57 -1.23 0.00 0.00 174.94 175.56 3kgz n HIS 87 N 2.34 0.00 -3.76 3.97 -0.00 0.86 -0.45 115.22 118.19 3kgz n HIS 87 Ca 0.04 0.00 -0.13 0.00 -0.00 0.00 0.00 57.72 57.63 3kgz n HIS 87 Cb 0.44 -0.29 -0.11 0.00 -0.00 0.00 0.00 29.99 30.03 3kgz n HIS 87 CO 0.00 0.00 0.00 0.50 -0.00 0.00 0.00 176.34 176.84 3kgz s ARG 88 N -2.22 0.38 3.36 1.57 3.52 -0.76 -4.82 118.95 119.97 3kgz s ARG 88 Ca -0.03 0.47 0.00 0.00 -0.13 0.00 0.00 55.73 56.04 3kgz s ARG 88 Cb 0.02 0.17 0.00 0.00 -1.56 0.00 0.00 34.95 33.59 3kgz s ARG 88 CO 0.27 -0.05 0.00 0.41 -0.81 0.00 0.00 175.30 175.12 3kgz n GLY 89 N 2.99 0.27 3.74 8.12 0.00 -1.26 -1.36 105.19 117.68 3kgz n GLY 89 Ca -0.14 -0.88 -0.07 0.00 0.00 0.00 0.00 46.02 44.94 3kgz n GLY 89 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 3kgz s HIS 90 N 0.00 -0.25 -0.27 1.61 -3.43 -1.02 -3.09 115.29 108.84 3kgz s HIS 90 Ca 0.00 -0.11 0.00 0.00 -0.80 0.00 0.00 55.06 54.15 3kgz s HIS 90 Cb 0.00 0.66 0.00 0.00 -1.43 0.00 0.00 32.58 31.81 3kgz s HIS 90 CO 0.00 -1.03 0.00 0.41 -2.00 0.00 0.00 174.74 172.12 3kgz n GLY 91 N -0.44 -0.79 3.11 -1.38 0.00 -0.13 -4.46 105.19 101.11 3kgz n GLY 91 Ca -0.07 -0.29 -0.08 0.00 0.00 0.00 0.00 46.02 45.58 3kgz n GLY 91 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3kgz s GLN 92 N -0.11 0.68 0.02 1.61 -0.21 -0.74 -0.87 119.66 120.04 3kgz s GLN 92 Ca 0.00 -1.26 0.00 0.00 0.02 0.00 0.00 55.36 54.12 3kgz s GLN 92 Cb 0.00 0.10 -0.02 0.00 1.00 0.00 0.00 33.01 34.09 3kgz s GLN 92 CO 0.00 -0.09 -0.03 0.00 -2.12 0.00 0.00 175.29 173.05 3kgz s LEU 94 N -1.31 3.99 -0.23 0.00 2.96 0.93 -1.04 118.68 123.98 3kgz s LEU 94 Ca -0.14 0.12 -0.02 0.00 -0.22 0.00 0.00 54.13 53.87 3kgz s LEU 94 Cb -0.09 -2.04 0.07 0.00 0.50 0.00 0.00 46.19 44.64 3kgz s LEU 94 CO -0.01 0.14 0.03 -0.69 -1.32 0.00 0.00 176.35 174.50 3kgz s VAL 95 N 0.60 0.82 0.00 1.68 1.01 -0.26 -1.30 120.40 122.95 3kgz s VAL 95 Ca 0.06 -0.91 0.00 0.00 0.00 0.00 0.00 61.98 61.12 3kgz s VAL 95 Cb -0.12 -1.36 0.00 0.00 0.00 0.00 0.00 36.38 34.90 3kgz s VAL 95 CO 0.01 -0.31 0.00 0.61 0.00 0.00 0.00 175.10 175.41 3kgz n GLY 96 N 4.92 1.61 0.10 4.51 0.00 0.19 -1.72 105.19 114.80 3kgz n GLY 96 Ca -0.08 -0.14 0.09 0.00 0.00 0.00 0.00 46.02 45.90 3kgz n GLY 96 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3kgz n GLU 97 N 0.00 0.84 -4.35 1.61 -0.58 -1.26 -4.77 120.64 112.13 3kgz n GLU 97 Ca 0.00 -0.21 -0.34 0.00 -0.42 0.00 0.00 57.16 56.19 3kgz n GLU 97 Cb 0.00 -1.40 -0.12 0.00 -0.57 0.00 0.00 31.44 29.35 3kgz n GLU 97 CO 0.00 0.00 0.00 0.99 -0.48 0.00 0.00 177.13 177.64 3kgz s THR 98 N -2.69 4.00 -0.25 2.62 2.01 -0.70 -4.97 115.64 115.66 3kgz s THR 98 Ca 0.09 -0.32 -0.09 0.00 0.31 0.00 0.00 61.69 61.69 3kgz s THR 98 Cb 0.15 -2.76 -0.04 0.00 0.01 0.00 0.00 72.50 69.86 3kgz s THR 98 CO 0.72 0.49 0.11 -0.63 -0.69 0.00 0.00 174.62 174.63 3kgz s ILE 99 N 0.37 4.74 0.07 1.82 1.01 -1.26 -1.10 121.20 126.85 3kgz s ILE 99 Ca -0.03 -0.03 0.10 0.00 0.00 0.00 0.00 60.65 60.69 3kgz s ILE 99 Cb -0.14 -3.22 -0.03 0.00 0.01 0.00 0.00 42.46 39.08 3kgz s ILE 99 CO 0.03 0.33 -0.26 -0.44 0.00 0.00 0.00 174.94 174.59 3kgz s SER 100 N 1.48 3.26 0.22 3.58 0.01 -0.21 -4.96 113.70 117.09 3kgz s SER 100 Ca 0.06 -0.64 -0.30 0.00 1.31 0.00 0.00 55.95 56.39 3kgz s SER 100 Cb -0.15 -0.28 -0.09 0.00 0.21 0.00 0.00 66.02 65.71 3kgz s SER 100 CO 0.06 0.23 1.15 -1.81 0.41 0.00 0.00 173.24 173.28 3kgz s ASP 101 N -1.54 7.17 -0.01 2.44 1.01 -1.26 -0.99 116.67 123.48 3kgz s ASP 101 Ca 0.13 2.24 0.04 0.00 0.71 0.00 0.00 52.55 55.67 3kgz s ASP 101 Cb -0.10 -2.62 -0.01 0.00 1.01 0.00 0.00 42.92 41.20 3kgz s ASP 101 CO 0.04 -0.27 -0.14 0.68 0.21 0.00 0.00 175.17 175.69 3kgz s VAL 102 N -0.53 1.07 0.28 -1.27 -7.23 -0.05 -4.92 120.40 107.76 3kgz s VAL 102 Ca 0.49 -0.59 0.03 0.00 -1.81 0.00 0.00 61.98 60.10 3kgz s VAL 102 Cb -0.32 -0.90 -0.04 0.00 0.56 0.00 0.00 36.38 35.68 3kgz s VAL 102 CO 0.39 0.30 0.17 0.00 -0.31 0.00 0.00 175.10 175.64 3kgz s ALA 103 N -0.33 1.75 -0.13 1.32 0.00 -1.26 -0.95 121.76 122.15 3kgz s ALA 103 Ca 0.05 -1.80 -0.40 0.00 0.00 0.00 0.00 51.96 49.81 3kgz s ALA 103 Cb -0.05 1.25 -0.18 0.00 0.00 0.00 0.00 23.12 24.14 3kgz s ALA 103 CO -0.00 -0.55 1.42 0.94 0.00 0.00 0.00 175.76 177.57 3kgz n GLN 104 N -0.51 0.66 0.00 0.00 7.27 -1.18 -1.54 117.38 122.09 3kgz n GLN 104 Ca 0.02 0.24 0.00 0.00 0.07 0.00 0.00 57.00 57.33 3kgz n GLN 104 Cb 0.65 -1.83 0.00 0.00 2.41 0.00 0.00 30.24 31.46 3kgz n GLN 104 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 3kgz n GLY 105 N 2.93 2.49 3.77 1.69 0.00 0.40 -4.96 105.19 111.51 3kgz n GLY 105 Ca 0.23 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.84 3kgz n GLY 105 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3kgz s ASP 106 N -1.64 6.73 -0.23 1.61 1.11 -0.59 -4.57 116.67 119.09 3kgz s ASP 106 Ca 0.00 2.72 -0.12 0.00 0.18 0.00 0.00 52.55 55.33 3kgz s ASP 106 Cb 0.00 -2.65 -0.05 0.00 1.07 0.00 0.00 42.92 41.29 3kgz s ASP 106 CO 0.00 -0.57 0.23 -0.76 1.18 0.00 0.00 175.17 175.26 3kgz s LEU 107 N -1.76 4.13 -0.12 1.23 1.43 -1.26 -1.26 118.68 121.06 3kgz s LEU 107 Ca 0.50 0.24 0.02 0.00 -1.03 0.00 0.00 54.13 53.86 3kgz s LEU 107 Cb -0.40 -2.23 0.01 0.00 0.03 0.00 0.00 46.19 43.59 3kgz s LEU 107 CO 0.53 0.02 -0.19 -0.69 0.23 0.00 0.00 176.35 176.26 3kgz s VAL 108 N 1.12 1.79 -0.17 -1.59 1.01 -0.08 -5.02 120.40 117.47 3kgz s VAL 108 Ca 0.11 -0.82 -0.06 0.00 0.00 0.00 0.00 61.98 61.22 3kgz s VAL 108 Cb -0.14 -1.61 -0.03 0.00 0.00 0.00 0.00 36.38 34.60 3kgz s VAL 108 CO 0.05 0.50 0.01 0.12 0.00 0.00 0.00 175.10 175.78 3kgz s PHE 109 N 0.89 3.14 -0.34 5.22 5.36 -1.26 -0.65 117.98 130.33 3kgz s PHE 109 Ca -0.07 -0.12 -0.05 0.00 -0.96 0.00 0.00 56.93 55.73 3kgz s PHE 109 Cb -0.15 -2.02 0.06 0.00 -0.34 0.00 0.00 43.02 40.57 3kgz s PHE 109 CO -0.02 0.06 0.10 0.42 -1.46 0.00 0.00 175.22 174.32 3kgz s ILE 110 N 0.37 3.49 0.95 3.12 1.01 -0.27 -5.00 121.20 124.87 3kgz s ILE 110 Ca -0.01 -1.36 -0.15 0.00 0.00 0.00 0.00 60.65 59.13 3kgz s ILE 110 Cb -0.13 -3.06 0.18 0.00 0.01 0.00 0.00 42.46 39.46 3kgz s ILE 110 CO 0.02 -0.25 1.29 -2.16 0.00 0.00 0.00 174.94 173.83 3kgz s PRO 111 N 1.32 0.78 0.56 2.79 0.04 -1.26 -2.09 135.00 137.14 3kgz s PRO 111 Ca -0.01 -0.30 -0.21 0.00 0.04 0.00 0.00 61.00 60.52 3kgz s PRO 111 Cb -0.20 -1.85 -0.04 0.00 0.04 0.00 0.00 34.50 32.44 3kgz s PRO 111 CO 0.01 -2.34 1.35 -2.30 0.04 0.00 0.00 177.00 173.76 3kgz n PRO 112 N -3.74 1.61 -4.15 0.56 -0.02 -1.26 -3.49 135.00 124.52 3kgz n PRO 112 Ca 0.14 0.60 -0.29 0.00 -2.02 0.00 0.00 63.50 61.92 3kgz n PRO 112 Cb 0.60 -2.57 -0.06 0.00 -0.02 0.00 0.00 33.50 31.45 3kgz n PRO 112 CO 0.00 0.00 0.00 -1.33 1.98 0.00 0.00 175.50 176.15 3kgz n MET 113 N -1.14 -2.20 -4.65 -0.52 2.81 0.94 -4.96 117.12 107.41 3kgz n MET 113 Ca 0.11 0.26 -0.33 0.00 -1.81 0.00 0.00 57.70 55.93 3kgz n MET 113 Cb 0.45 -4.18 -0.16 0.00 -0.71 0.00 0.00 33.22 28.62 3kgz n MET 113 CO 0.00 0.00 0.00 0.99 1.51 0.00 0.00 175.97 178.47 3kgz s THR 114 N -4.06 2.51 0.43 2.03 2.01 -1.23 -4.89 115.64 112.44 3kgz s THR 114 Ca 0.09 -0.83 -0.26 0.00 0.31 0.00 0.00 61.69 61.00 3kgz s THR 114 Cb -0.05 -2.04 -0.09 0.00 0.01 0.00 0.00 72.50 70.33 3kgz s THR 114 CO 0.94 0.53 1.42 0.26 -0.69 0.00 0.00 174.62 177.08 3kgz s TRP 115 N 0.73 2.54 0.01 4.92 0.52 -1.26 -4.50 118.94 121.90 3kgz s TRP 115 Ca -0.07 1.27 -0.20 0.00 0.02 0.00 0.00 56.10 57.12 3kgz s TRP 115 Cb -0.16 -3.90 0.04 0.00 -1.15 0.00 0.00 33.47 28.30 3kgz s TRP 115 CO 0.01 -2.81 0.43 -3.38 0.02 0.00 0.00 176.95 171.22 3kgz s HIS 116 N -1.19 -0.32 -0.26 -1.98 -3.43 -0.42 -0.64 115.29 107.05 3kgz s HIS 116 Ca 0.59 0.42 -0.25 0.00 -0.80 0.00 0.00 55.06 55.01 3kgz s HIS 116 Cb -0.43 0.22 0.07 0.00 -1.43 0.00 0.00 32.58 31.01 3kgz s HIS 116 CO 0.56 -0.52 0.73 -1.14 -2.00 0.00 0.00 174.74 172.38 3kgz s GLN 117 N -1.83 0.83 -0.11 -0.38 0.74 -0.42 -2.48 119.66 116.01 3kgz s GLN 117 Ca -0.09 0.95 -0.02 0.00 0.05 0.00 0.00 55.36 56.25 3kgz s GLN 117 Cb -0.02 0.41 -0.03 0.00 1.10 0.00 0.00 33.01 34.46 3kgz s GLN 117 CO 0.02 -0.11 -0.03 -0.06 -0.55 0.00 0.00 175.29 174.57 3kgz s PHE 118 N 0.32 3.06 -0.05 1.67 0.08 -1.26 -0.05 117.98 121.75 3kgz s PHE 118 Ca -0.00 -0.03 0.05 0.00 0.12 0.00 0.00 56.93 57.06 3kgz s PHE 118 Cb -0.05 -1.85 -0.00 0.00 -0.57 0.00 0.00 43.02 40.55 3kgz s PHE 118 CO 0.01 0.23 -0.19 1.03 -0.10 0.00 0.00 175.22 176.20 3kgz s ARG 119 N -0.34 2.09 -1.42 0.44 0.52 -0.18 -1.00 118.95 119.07 3kgz s ARG 119 Ca 0.06 -0.69 -0.10 0.00 -0.52 0.00 0.00 55.73 54.48 3kgz s ARG 119 Cb -0.12 -1.76 0.06 0.00 0.52 0.00 0.00 34.95 33.65 3kgz s ARG 119 CO 0.02 0.25 2.34 0.00 0.02 0.00 0.00 175.30 177.94 3kgz n ALA 120 N 3.20 6.29 -1.39 2.13 0.00 -0.56 -1.79 120.51 128.38 3kgz n ALA 120 Ca -0.18 -3.97 -0.13 0.00 0.00 0.00 0.00 53.44 49.16 3kgz n ALA 120 Cb 0.53 -3.16 0.18 0.00 0.00 0.00 0.00 19.45 17.00 3kgz n ALA 120 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.50 177.77 3kgz n ASN 121 N 3.83 3.17 -0.72 0.00 6.94 -1.26 -0.89 115.26 126.33 3kgz n ASN 121 Ca 0.57 -3.73 0.04 0.00 -0.02 0.00 0.00 54.58 51.44 3kgz n ASN 121 Cb 0.31 -0.72 0.06 0.00 -2.36 0.00 0.00 39.78 37.08 3kgz n ASN 121 CO 0.00 0.00 0.00 0.54 -1.03 0.00 0.00 177.26 176.77 3kgz n ARG 122 N -1.12 0.49 -0.60 -3.83 5.12 -1.26 -4.96 116.66 110.50 3kgz n ARG 122 Ca 0.44 -1.94 0.00 0.00 -1.93 0.00 0.00 57.85 54.42 3kgz n ARG 122 Cb 1.26 -0.72 0.00 0.00 -1.16 0.00 0.00 32.46 31.84 3kgz n ARG 122 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 3kgz n GLY 123 N -0.30 0.64 3.45 -0.13 0.00 -1.26 -4.94 105.19 102.65 3kgz n GLY 123 Ca 0.08 -0.60 -0.09 0.00 0.00 0.00 0.00 46.02 45.41 3kgz n GLY 123 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3kgz s ASP 124 N -2.54 -0.07 0.89 1.61 -1.08 -1.26 -5.08 116.67 109.13 3kgz s ASP 124 Ca 0.00 -0.80 -0.12 0.00 -0.52 0.00 0.00 52.55 51.11 3kgz s ASP 124 Cb 0.00 0.51 0.12 0.00 -1.46 0.00 0.00 42.92 42.09 3kgz s ASP 124 CO 0.00 -1.00 1.13 0.00 0.52 0.00 0.00 175.17 175.82 3kgz s LEU 126 N -5.97 0.18 -0.04 0.00 2.96 -0.48 -2.42 118.68 112.91 3kgz s LEU 126 Ca 0.63 0.03 0.05 0.00 -0.22 0.00 0.00 54.13 54.62 3kgz s LEU 126 Cb -0.15 -0.17 -0.01 0.00 0.50 0.00 0.00 46.19 46.37 3kgz s LEU 126 CO 0.53 -0.25 -0.19 -0.83 -1.32 0.00 0.00 176.35 174.28 3kgz s GLY 127 N 2.16 1.02 0.01 7.98 0.00 -0.46 0.27 107.32 118.29 3kgz s GLY 127 Ca 0.05 -0.81 -0.02 0.00 0.00 0.00 0.00 44.72 43.94 3kgz s GLY 127 CO -0.03 -0.50 0.03 -0.11 0.00 0.00 0.00 173.10 172.49 3kgz s PHE 128 N -0.12 0.18 0.31 1.90 -0.12 0.21 -0.10 117.98 120.24 3kgz s PHE 128 Ca -0.01 -0.37 -0.26 0.00 -0.05 0.00 0.00 56.93 56.24 3kgz s PHE 128 Cb -0.11 -0.14 -0.10 0.00 -0.63 0.00 0.00 43.02 42.05 3kgz s PHE 128 CO 0.02 -0.22 0.92 -0.51 -0.05 0.00 0.00 175.22 175.39 3kgz s LEU 129 N -1.38 4.34 -0.04 -1.99 1.43 0.67 -0.77 118.68 120.95 3kgz s LEU 129 Ca -0.15 1.80 -0.02 0.00 -1.03 0.00 0.00 54.13 54.73 3kgz s LEU 129 Cb -0.09 -3.97 0.03 0.00 0.03 0.00 0.00 46.19 42.19 3kgz s LEU 129 CO -0.00 -0.05 0.06 0.00 0.23 0.00 0.00 176.35 176.59 3kgz s VAL 131 N 1.81 3.10 0.04 0.00 1.01 0.28 -0.50 120.40 126.15 3kgz s VAL 131 Ca 0.00 -0.63 -0.00 0.00 0.00 0.00 0.00 61.98 61.35 3kgz s VAL 131 Cb -0.12 -2.32 -0.03 0.00 0.00 0.00 0.00 36.38 33.90 3kgz s VAL 131 CO -0.03 0.51 -0.04 0.68 0.00 0.00 0.00 175.10 176.22 3kgz s VAL 132 N 0.59 0.24 0.52 2.92 -7.23 -0.86 -1.76 120.40 114.82 3kgz s VAL 132 Ca -0.07 -1.42 -0.22 0.00 -1.81 0.00 0.00 61.98 58.46 3kgz s VAL 132 Cb -0.15 -0.98 -0.05 0.00 0.56 0.00 0.00 36.38 35.76 3kgz s VAL 132 CO 0.03 -0.75 1.33 0.20 -0.31 0.00 0.00 175.10 175.60 3kgz s ASN 133 N -2.26 5.47 0.34 4.85 0.01 -1.26 -0.98 114.94 121.10 3kgz s ASN 133 Ca -0.03 2.69 0.09 0.00 -0.71 0.00 0.00 52.86 54.90 3kgz s ASN 133 Cb -0.01 -2.63 0.61 0.00 0.41 0.00 0.00 41.25 39.63 3kgz s ASN 133 CO -0.05 -1.43 1.79 0.00 -1.51 0.00 0.00 177.10 175.89 3kgz h ALA 134 N 1.62 1.28 -2.82 0.60 0.00 -1.45 -3.39 119.26 115.11 3kgz h ALA 134 Ca -0.51 -0.34 -0.69 0.00 0.00 0.00 0.00 54.91 53.38 3kgz h ALA 134 Cb 1.29 -0.08 -0.22 0.00 0.00 0.00 0.00 17.79 18.77 3kgz h ALA 134 CO 0.58 0.50 -0.53 0.00 0.00 0.00 0.00 179.25 179.80 3kgz s ALA 135 N -4.29 3.32 0.13 0.00 0.00 -1.26 -5.02 121.76 114.63 3kgz s ALA 135 Ca -0.04 -1.49 -0.23 0.00 0.00 0.00 0.00 51.96 50.20 3kgz s ALA 135 Cb 0.14 -2.50 0.07 0.00 0.00 0.00 0.00 23.12 20.83 3kgz s ALA 135 CO 0.75 -1.06 0.58 -0.98 0.00 0.00 0.00 175.76 175.05 3kgz s ARG 136 N 1.62 1.23 0.72 0.00 1.70 -1.26 -5.08 118.95 117.88 3kgz s ARG 136 Ca 0.04 -0.43 -0.11 0.00 -0.47 0.00 0.00 55.73 54.76 3kgz s ARG 136 Cb -0.18 0.56 0.02 0.00 -0.57 0.00 0.00 34.95 34.79 3kgz s ARG 136 CO 0.07 -0.52 1.08 0.16 -1.08 0.00 0.00 175.30 175.01 3kgz s ASP 137 N -2.59 5.21 0.42 -2.89 -4.77 -1.26 -5.05 116.67 105.74 3kgz s ASP 137 Ca -0.00 1.34 -0.15 0.00 -3.30 0.00 0.00 52.55 50.45 3kgz s ASP 137 Cb -0.01 -2.18 -0.08 0.00 -1.09 0.00 0.00 42.92 39.57 3kgz s ASP 137 CO -0.10 -1.51 0.85 -0.13 0.70 0.00 0.00 175.17 174.97 3kgz s ARG 138 N -5.19 3.94 0.57 2.11 1.81 -1.26 -4.84 118.95 116.09 3kgz s ARG 138 Ca 0.59 0.74 -0.20 0.00 -1.72 0.00 0.00 55.73 55.14 3kgz s ARG 138 Cb -0.13 -2.30 -0.04 0.00 -0.45 0.00 0.00 34.95 32.03 3kgz s ARG 138 CO 0.54 -0.06 1.25 -2.14 -0.68 0.00 0.00 175.30 174.21 3kgz s PRO 139 N -3.62 3.06 -0.19 3.54 0.02 -1.26 -4.82 135.00 131.73 3kgz s PRO 139 Ca 0.56 1.96 -0.03 0.00 0.02 0.00 0.00 61.00 63.50 3kgz s PRO 139 Cb -0.10 -2.06 -0.02 0.00 0.02 0.00 0.00 34.50 32.34 3kgz s PRO 139 CO 0.26 -1.17 -0.05 -0.65 -0.33 0.00 0.00 177.00 175.06 3kgz s GLN 140 N -3.15 3.49 0.35 5.54 -0.21 0.69 -4.97 119.66 121.40 3kgz s GLN 140 Ca 0.75 -0.59 -0.11 0.00 0.02 0.00 0.00 55.36 55.42 3kgz s GLN 140 Cb -0.34 -2.94 -0.07 0.00 1.00 0.00 0.00 33.01 30.66 3kgz s GLN 140 CO 0.38 0.01 0.72 -0.51 -2.12 0.00 0.00 175.29 173.77 3kgz s LEU 141 N 0.95 3.95 0.22 2.90 1.43 -1.26 -1.67 118.68 125.20 3kgz s LEU 141 Ca -0.00 1.13 -0.30 0.00 -1.03 0.00 0.00 54.13 53.93 3kgz s LEU 141 Cb -0.15 -3.97 -0.09 0.00 0.03 0.00 0.00 46.19 42.02 3kgz s LEU 141 CO 0.01 -0.29 1.24 -2.16 0.23 0.00 0.00 176.35 175.38 3kgz s PRO 142 N -3.46 4.45 0.97 1.29 0.04 -1.26 -4.99 135.00 132.04 3kgz s PRO 142 Ca 0.51 1.98 -0.15 0.00 0.04 0.00 0.00 61.00 63.38 3kgz s PRO 142 Cb -0.10 -3.19 0.18 0.00 0.04 0.00 0.00 34.50 31.43 3kgz s PRO 142 CO 0.26 -0.13 1.22 0.95 0.04 0.00 0.00 177.00 179.34 3kgz s THR 143 N -0.26 1.93 0.31 1.26 -4.23 -1.26 -4.86 115.64 108.53 3kgz s THR 143 Ca 0.53 0.00 0.04 0.00 -1.18 0.00 0.00 61.69 61.08 3kgz s THR 143 Cb -0.35 -2.85 0.30 0.00 1.34 0.00 0.00 72.50 70.93 3kgz s THR 143 CO 0.40 0.00 1.86 0.00 -0.54 0.00 0.00 174.62 176.34 3kgz h ALA 144 N -1.70 1.63 -0.21 3.99 0.00 -2.00 -2.15 119.26 118.81 3kgz h ALA 144 Ca -0.46 0.01 -0.05 0.00 0.00 0.00 0.00 54.91 54.41 3kgz h ALA 144 Cb 1.28 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.87 3kgz h ALA 144 CO 0.47 0.15 -0.05 -0.44 0.00 0.00 0.00 179.25 179.38 3kgz h ASP 145 N 0.90 0.41 -0.60 0.00 3.45 -2.00 -2.79 116.42 115.78 3kgz h ASP 145 Ca 0.46 -0.37 0.08 0.00 0.43 0.00 0.00 57.03 57.64 3kgz h ASP 145 Cb 0.51 -0.11 -0.07 0.00 -0.56 0.00 0.00 39.33 39.10 3kgz h ASP 145 CO -0.22 0.68 0.24 0.44 -1.57 0.00 0.00 179.24 178.81 3kgz h ASP 146 N 0.13 0.27 -0.46 6.45 3.32 -1.82 -0.79 116.42 123.52 3kgz h ASP 146 Ca 0.05 0.07 -0.08 0.00 0.02 0.00 0.00 57.03 57.09 3kgz h ASP 146 Cb 0.50 0.03 -0.02 0.00 0.22 0.00 0.00 39.33 40.06 3kgz h ASP 146 CO 0.02 0.17 -0.00 -0.07 -1.72 0.00 0.00 179.24 177.64 3kgz h LEU 147 N 0.44 0.85 -0.43 1.55 3.38 -1.36 -1.03 115.31 118.72 3kgz h LEU 147 Ca 0.29 -0.22 -0.02 0.00 0.09 0.00 0.00 57.88 58.02 3kgz h LEU 147 Cb 0.33 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 40.83 3kgz h LEU 147 CO -0.27 0.92 0.18 0.00 0.09 0.00 0.00 178.44 179.35 3kgz h ALA 148 N 1.17 0.55 -0.24 1.53 0.00 -1.19 -0.58 119.26 120.50 3kgz h ALA 148 Ca 0.15 -0.14 0.04 0.00 0.00 0.00 0.00 54.91 54.97 3kgz h ALA 148 Cb 0.49 -0.17 -0.04 0.00 0.00 0.00 0.00 17.79 18.07 3kgz h ALA 148 CO 0.02 0.15 -0.02 1.05 0.00 0.00 0.00 179.25 180.45 3kgz h GLU 149 N 0.54 0.05 -0.31 0.00 9.09 -0.74 -2.72 114.58 120.50 3kgz h GLU 149 Ca 0.14 -0.00 -0.09 0.00 0.05 0.00 0.00 59.36 59.46 3kgz h GLU 149 Cb 0.18 -0.01 -0.01 0.00 -1.65 0.00 0.00 28.75 27.25 3kgz h GLU 149 CO -0.01 0.03 -0.20 -0.07 0.05 0.00 0.00 179.01 178.81 3kgz h LEU 150 N 0.05 0.58 0.00 3.06 3.38 -1.13 -2.86 115.31 118.39 3kgz h LEU 150 Ca 0.12 -0.19 0.00 0.00 0.09 0.00 0.00 57.88 57.90 3kgz h LEU 150 Cb 0.16 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 40.75 3kgz h LEU 150 CO -0.21 0.78 0.00 0.54 0.09 0.00 0.00 178.44 179.64 3kgz n ARG 151 N -4.14 0.82 0.23 1.13 1.74 -0.23 -2.58 116.66 113.63 3kgz n ARG 151 Ca 0.00 0.00 0.09 0.00 -0.77 0.00 0.00 57.85 57.18 3kgz n ARG 151 Cb 0.39 -1.34 0.54 0.00 -1.02 0.00 0.00 32.46 31.03 3kgz n ARG 151 CO 0.00 0.00 0.00 0.87 -1.52 0.00 0.00 177.63 176.98 3kgz h LYS 152 N 0.00 0.00 -5.44 5.56 1.57 -1.34 -3.40 116.57 113.52 3kgz h LYS 152 Ca 0.00 0.00 -0.61 0.00 -1.87 0.00 0.00 60.65 58.17 3kgz h LYS 152 Cb 0.00 0.00 -0.12 0.00 0.08 0.00 0.00 32.23 32.19 3kgz h LYS 152 CO 0.00 0.22 0.09 0.34 -0.57 0.00 0.00 179.45 179.53 3kgz s ASP 153 N -6.31 6.50 0.23 0.86 -1.08 -1.06 -4.98 116.67 110.82 3kgz s ASP 153 Ca -0.01 0.58 -0.07 0.00 -0.52 0.00 0.00 52.55 52.52 3kgz s ASP 153 Cb 0.12 -2.31 0.19 0.00 -1.46 0.00 0.00 42.92 39.46 3kgz s ASP 153 CO 0.63 -0.36 1.83 1.05 0.52 0.00 0.00 175.17 178.84 3kgz h GLU 154 N 8.00 1.24 -0.49 4.34 -0.00 -1.87 -1.10 114.58 124.70 3kgz h GLU 154 Ca -0.28 -0.18 0.00 0.00 -0.00 0.00 0.00 59.36 58.91 3kgz h GLU 154 Cb 1.13 -0.23 -0.02 0.00 -0.00 0.00 0.00 28.75 29.63 3kgz h GLU 154 CO 0.76 0.94 0.31 0.07 -0.00 0.00 0.00 179.01 181.09 3kgz h ARG 155 N 1.23 0.65 -0.37 1.06 -0.00 -1.94 -1.39 114.38 113.61 3kgz h ARG 155 Ca 0.30 -0.05 -0.07 0.00 -0.00 0.00 0.00 59.98 60.16 3kgz h ARG 155 Cb 0.10 -0.14 -0.01 0.00 -0.00 0.00 0.00 29.97 29.92 3kgz h ARG 155 CO -0.04 0.45 -0.03 0.82 -0.00 0.00 0.00 179.97 181.17 3kgz h ILE 156 N 0.65 1.27 -0.63 0.08 2.04 -1.80 -2.40 117.51 116.73 3kgz h ILE 156 Ca 0.18 -1.05 0.06 0.00 1.00 0.00 0.00 64.86 65.04 3kgz h ILE 156 Cb -0.04 1.20 -0.05 0.00 -0.74 0.00 0.00 36.82 37.18 3kgz h ILE 156 CO -0.04 0.35 0.34 0.00 0.00 0.00 0.00 178.15 178.80 3kgz h ALA 157 N 0.86 0.83 -0.37 1.87 0.00 -0.88 -0.78 119.26 120.79 3kgz h ALA 157 Ca 0.10 0.02 -0.06 0.00 0.00 0.00 0.00 54.91 54.97 3kgz h ALA 157 Cb 0.51 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.18 3kgz h ALA 157 CO 0.03 0.01 -0.02 0.22 0.00 0.00 0.00 179.25 179.48 3kgz h ASP 158 N 0.63 0.56 0.10 0.00 3.58 -1.23 -3.34 116.42 116.73 3kgz h ASP 158 Ca 0.28 -0.12 -0.15 0.00 0.42 0.00 0.00 57.03 57.47 3kgz h ASP 158 Cb 0.18 -0.15 0.01 0.00 1.72 0.00 0.00 39.33 41.09 3kgz h ASP 158 CO -0.18 0.65 -0.66 0.15 -2.88 0.00 0.00 179.24 176.31 3kgz h PHE 159 N 0.56 0.38 -4.08 0.28 3.57 -0.72 -3.47 116.94 113.47 3kgz h PHE 159 Ca 0.12 -0.28 -0.53 0.00 3.53 0.00 0.00 57.97 60.81 3kgz h PHE 159 Cb 0.39 -0.02 0.11 0.00 2.79 0.00 0.00 35.95 39.22 3kgz h PHE 159 CO 0.02 1.25 0.49 0.96 -2.23 0.00 0.00 178.31 178.80 3kgz s ILE 160 N -2.38 2.63 -0.07 1.41 -4.36 -0.41 -5.03 121.20 112.99 3kgz s ILE 160 Ca -0.16 0.42 0.02 0.00 -0.26 0.00 0.00 60.65 60.67 3kgz s ILE 160 Cb 0.00 -3.18 0.01 0.00 1.25 0.00 0.00 42.46 40.55 3kgz s ILE 160 CO 0.78 -0.06 -0.12 -0.13 0.24 0.00 0.00 174.94 175.64 3kgz s ARG 161 N -3.19 1.73 0.00 0.37 1.81 -1.26 -5.01 118.95 113.41 3kgz s ARG 161 Ca 0.75 -0.42 0.02 0.00 -1.72 0.00 0.00 55.73 54.36 3kgz s ARG 161 Cb -0.31 -1.44 0.01 0.00 -0.45 0.00 0.00 34.95 32.76 3kgz s ARG 161 CO 0.35 0.02 0.56 0.25 -0.68 0.00 0.00 175.30 175.80