#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kvz s ASP 2 N 0.00 4.02 0.10 7.83 2.15 -1.26 -5.04 116.67 124.48 2kvz s ASP 2 Ca 0.00 -0.31 -0.15 0.00 0.43 0.00 0.00 52.55 52.52 2kvz s ASP 2 Cb 0.00 -0.76 -0.08 0.00 -0.30 0.00 0.00 42.92 41.77 2kvz s ASP 2 CO 0.00 0.28 1.42 -0.26 -0.17 0.00 0.00 175.17 176.44 2kvz h PHE 3 N 4.71 0.86 0.00 -5.34 0.04 -2.06 -3.47 116.94 111.68 2kvz h PHE 3 Ca -0.47 -0.26 0.00 0.00 2.80 0.00 0.00 57.97 60.04 2kvz h PHE 3 Cb 1.16 -0.18 0.00 0.00 2.20 0.00 0.00 35.95 39.13 2kvz h PHE 3 CO 0.53 1.01 0.00 0.41 -0.60 0.00 0.00 178.31 179.66 2kvz n GLY 4 N 0.16 0.78 2.96 -1.45 0.00 -1.26 -5.07 105.19 101.32 2kvz n GLY 4 Ca -0.04 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.72 2kvz n GLY 4 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2kvz s LYS 5 N -0.87 1.66 0.36 1.61 3.01 -1.26 -5.02 119.74 119.24 2kvz s LYS 5 Ca 0.00 -0.34 0.21 0.00 -1.01 0.00 0.00 55.97 54.83 2kvz s LYS 5 Cb 0.00 -1.58 0.22 0.00 -1.01 0.00 0.00 37.83 35.46 2kvz s LYS 5 CO 0.00 -0.16 1.48 -1.00 0.51 0.00 0.00 175.35 176.17 2kvz h PRO 6 N 7.76 0.00 -3.07 -1.68 0.13 -1.90 -3.47 132.00 129.76 2kvz h PRO 6 Ca -0.31 0.00 -0.36 0.00 -0.87 0.00 0.00 66.00 64.46 2kvz h PRO 6 Cb 1.15 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.25 2kvz h PRO 6 CO 0.44 0.12 -0.45 0.09 -0.23 0.00 0.00 178.00 177.98 2kvz n ASN 7 N -3.07 -5.20 -4.58 1.44 3.02 -1.23 -4.78 115.26 100.86 2kvz n ASN 7 Ca 0.03 0.09 -0.43 0.00 -0.03 0.00 0.00 54.58 54.24 2kvz n ASN 7 Cb 0.59 -4.38 -0.03 0.00 -0.61 0.00 0.00 39.78 35.35 2kvz n ASN 7 CO 0.00 0.00 0.00 -1.58 -2.62 0.00 0.00 177.26 173.06 2kvz s GLN 8 N -4.89 3.54 -0.16 3.52 0.74 -1.26 -4.03 119.66 117.12 2kvz s GLN 8 Ca 0.00 0.24 -0.22 0.00 0.05 0.00 0.00 55.36 55.43 2kvz s GLN 8 Cb 0.00 -3.98 -0.03 0.00 1.10 0.00 0.00 33.01 30.10 2kvz s GLN 8 CO 0.00 -1.53 0.68 0.08 -0.55 0.00 0.00 175.29 173.97 2kvz s VAL 9 N 4.56 5.01 -0.37 1.34 1.01 0.23 -1.50 120.40 130.68 2kvz s VAL 9 Ca 0.42 1.33 -0.04 0.00 0.00 0.00 0.00 61.98 63.69 2kvz s VAL 9 Cb -0.08 -4.00 0.08 0.00 0.00 0.00 0.00 36.38 32.38 2kvz s VAL 9 CO 0.26 0.14 0.14 -0.89 0.00 0.00 0.00 175.10 174.75 2kvz s THR 10 N 1.63 3.37 -0.43 3.92 2.01 0.12 0.25 115.64 126.52 2kvz s THR 10 Ca 0.33 -1.66 -0.22 0.00 0.31 0.00 0.00 61.69 60.45 2kvz s THR 10 Cb -0.16 -3.12 0.02 0.00 0.01 0.00 0.00 72.50 69.25 2kvz s THR 10 CO 0.12 -0.43 0.70 -0.69 -0.69 0.00 0.00 174.62 173.63 2kvz s VAL 11 N 1.24 4.77 -0.20 3.82 1.01 0.20 -0.74 120.40 130.50 2kvz s VAL 11 Ca 0.02 0.30 -0.09 0.00 0.00 0.00 0.00 61.98 62.21 2kvz s VAL 11 Cb -0.21 -4.23 -0.05 0.00 0.00 0.00 0.00 36.38 31.88 2kvz s VAL 11 CO -0.02 -0.61 0.11 0.20 0.00 0.00 0.00 175.10 174.79 2kvz s ASN 12 N 2.02 6.02 -0.74 3.32 0.01 -0.03 -0.84 114.94 124.70 2kvz s ASN 12 Ca 0.26 0.17 -0.20 0.00 -0.71 0.00 0.00 52.86 52.38 2kvz s ASN 12 Cb -0.13 -2.05 0.11 0.00 0.41 0.00 0.00 41.25 39.58 2kvz s ASN 12 CO 0.20 0.16 0.94 -0.31 -1.51 0.00 0.00 177.10 176.58 2kvz s TYR 13 N 0.45 2.98 -0.09 2.20 2.02 -1.26 -0.51 117.35 123.13 2kvz s TYR 13 Ca 0.06 -1.04 -0.08 0.00 -0.37 0.00 0.00 57.07 55.65 2kvz s TYR 13 Cb -0.12 -4.19 -0.04 0.00 -0.40 0.00 0.00 41.96 37.21 2kvz s TYR 13 CO -0.01 -1.46 0.19 -0.51 -1.57 0.00 0.00 175.55 172.19 2kvz s LEU 14 N 2.99 4.40 1.01 -1.29 1.43 0.15 -1.06 118.68 126.32 2kvz s LEU 14 Ca 0.23 0.54 -0.13 0.00 -1.03 0.00 0.00 54.13 53.73 2kvz s LEU 14 Cb -0.14 -2.21 0.20 0.00 0.03 0.00 0.00 46.19 44.07 2kvz s LEU 14 CO 0.01 0.38 1.11 -0.62 0.23 0.00 0.00 176.35 177.46 2kvz s ASP 15 N -1.12 2.54 0.26 2.29 -1.08 0.95 -0.21 116.67 120.28 2kvz s ASP 15 Ca 0.18 1.01 0.04 0.00 -0.52 0.00 0.00 52.55 53.26 2kvz s ASP 15 Cb -0.13 -1.58 0.33 0.00 -1.46 0.00 0.00 42.92 40.08 2kvz s ASP 15 CO 0.07 -3.16 1.63 -0.08 0.52 0.00 0.00 175.17 174.15 2kvz h GLU 16 N -1.92 0.33 0.00 4.34 4.81 -1.89 -0.31 114.58 119.94 2kvz h GLU 16 Ca -0.52 -0.18 0.00 0.00 -0.13 0.00 0.00 59.36 58.53 2kvz h GLU 16 Cb 1.33 0.01 0.00 0.00 0.63 0.00 0.00 28.75 30.71 2kvz h GLU 16 CO 0.55 0.73 0.00 0.09 -0.73 0.00 0.00 179.01 179.65 2kvz n ASN 17 N -3.98 0.00 -2.24 1.04 3.02 -1.26 -4.93 115.26 106.90 2kvz n ASN 17 Ca -0.02 -0.41 -0.01 0.00 -0.03 0.00 0.00 54.58 54.11 2kvz n ASN 17 Cb 0.53 -0.16 0.00 0.00 -0.61 0.00 0.00 39.78 39.54 2kvz n ASN 17 CO 0.00 0.00 0.00 -3.20 -2.62 0.00 0.00 177.26 171.44 2kvz n ASN 18 N -1.16 -5.52 -3.66 6.41 5.15 -0.13 -5.11 115.26 111.25 2kvz n ASN 18 Ca 0.15 0.68 -0.13 0.00 -0.60 0.00 0.00 54.58 54.68 2kvz n ASN 18 Cb 0.15 -3.56 -0.08 0.00 -0.53 0.00 0.00 39.78 35.77 2kvz n ASN 18 CO 0.00 0.00 0.00 -0.89 1.40 0.00 0.00 177.26 177.77 2kvz s THR 19 N -1.27 -0.00 -0.75 -0.44 2.01 -1.26 -4.81 115.64 109.13 2kvz s THR 19 Ca 0.05 0.00 -0.26 0.00 0.31 0.00 0.00 61.69 61.79 2kvz s THR 19 Cb -0.01 -0.87 -0.00 0.00 0.01 0.00 0.00 72.50 71.62 2kvz s THR 19 CO 0.46 0.00 1.65 -0.55 -0.69 0.00 0.00 174.62 175.49 2kvz s SER 20 N 0.39 5.66 0.10 3.53 0.15 -1.26 -0.04 113.70 122.25 2kvz s SER 20 Ca -0.00 -0.27 0.25 0.00 0.70 0.00 0.00 55.95 56.63 2kvz s SER 20 Cb -0.04 -2.55 0.98 0.00 -1.71 0.00 0.00 66.02 62.70 2kvz s SER 20 CO -0.00 -2.17 1.79 2.30 1.20 0.00 0.00 173.24 176.36 2kvz n ILE 21 N 7.03 0.44 -4.19 6.45 -5.35 -0.22 -4.74 119.36 118.78 2kvz n ILE 21 Ca 0.20 -0.04 -0.15 0.00 -0.27 0.00 0.00 62.75 62.49 2kvz n ILE 21 Cb 0.50 -0.67 -0.11 0.00 -1.74 0.00 0.00 39.64 37.62 2kvz n ILE 21 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 2kvz s ALA 22 N -3.07 1.19 0.20 -1.28 0.00 -1.25 -5.10 121.76 112.44 2kvz s ALA 22 Ca 0.11 -1.21 -0.33 0.00 0.00 0.00 0.00 51.96 50.54 2kvz s ALA 22 Cb 0.14 0.01 -0.14 0.00 0.00 0.00 0.00 23.12 23.13 2kvz s ALA 22 CO 0.50 -0.01 1.43 -2.30 0.00 0.00 0.00 175.76 175.39 2kvz n PRO 23 N 0.56 1.94 -1.68 0.00 -0.02 -1.26 -4.48 135.00 130.06 2kvz n PRO 23 Ca -0.16 0.69 -0.45 0.00 -2.02 0.00 0.00 63.50 61.56 2kvz n PRO 23 Cb 0.57 -2.37 -0.04 0.00 -0.02 0.00 0.00 33.50 31.64 2kvz n PRO 23 CO 0.00 0.00 0.00 0.43 1.98 0.00 0.00 175.50 177.91 2kvz n SER 24 N 2.55 3.41 -4.53 2.55 7.64 -1.26 -4.78 113.62 119.19 2kvz n SER 24 Ca 0.14 1.05 -0.43 0.00 1.01 0.00 0.00 58.87 60.63 2kvz n SER 24 Cb 0.29 -1.45 -0.06 0.00 -1.01 0.00 0.00 64.21 61.98 2kvz n SER 24 CO 0.00 0.00 0.00 -0.22 -3.01 0.00 0.00 175.04 171.81 2kvz s LEU 25 N 1.80 4.34 -0.46 -3.43 2.96 -0.02 -4.93 118.68 118.94 2kvz s LEU 25 Ca 0.81 -0.19 -0.21 0.00 -0.22 0.00 0.00 54.13 54.31 2kvz s LEU 25 Cb -0.63 -2.88 0.03 0.00 0.50 0.00 0.00 46.19 43.21 2kvz s LEU 25 CO 0.40 -0.88 0.71 -0.31 -1.32 0.00 0.00 176.35 174.94 2kvz s TYR 26 N 3.15 3.02 -0.37 5.38 2.02 -1.26 -0.63 117.35 128.65 2kvz s TYR 26 Ca 0.27 -0.05 -0.08 0.00 -0.37 0.00 0.00 57.07 56.84 2kvz s TYR 26 Cb -0.13 -3.52 0.05 0.00 -0.40 0.00 0.00 41.96 37.96 2kvz s TYR 26 CO 0.21 -0.97 0.18 -1.17 -1.57 0.00 0.00 175.55 172.24 2kvz s LEU 27 N 3.03 4.71 -0.09 -1.29 2.96 0.14 -4.97 118.68 123.17 2kvz s LEU 27 Ca 0.24 -1.25 -0.01 0.00 -0.22 0.00 0.00 54.13 52.89 2kvz s LEU 27 Cb -0.14 -1.94 -0.03 0.00 0.50 0.00 0.00 46.19 44.58 2kvz s LEU 27 CO 0.19 -0.42 -0.04 -0.44 -1.32 0.00 0.00 176.35 174.32 2kvz s SER 28 N 1.68 4.84 0.00 3.68 0.01 -1.26 -0.60 113.70 122.05 2kvz s SER 28 Ca 0.01 0.01 0.00 0.00 1.31 0.00 0.00 55.95 57.27 2kvz s SER 28 Cb -0.21 -1.36 0.00 0.00 0.21 0.00 0.00 66.02 64.66 2kvz s SER 28 CO 0.03 0.33 0.00 0.61 0.41 0.00 0.00 173.24 174.62 2kvz n GLY 29 N 2.43 3.37 3.88 3.44 0.00 -1.26 -5.04 105.19 112.02 2kvz n GLY 29 Ca -0.18 -0.82 -0.32 0.00 0.00 0.00 0.00 46.02 44.70 2kvz n GLY 29 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2kvz s LEU 30 N 0.00 4.20 0.27 0.99 1.43 -1.26 -4.90 118.68 119.41 2kvz s LEU 30 Ca 0.00 0.83 -0.30 0.00 -1.03 0.00 0.00 54.13 53.64 2kvz s LEU 30 Cb 0.00 -3.58 -0.10 0.00 0.03 0.00 0.00 46.19 42.54 2kvz s LEU 30 CO 0.00 -0.04 1.40 0.12 0.23 0.00 0.00 176.35 178.06 2kvz s PHE 31 N -1.77 3.02 -1.20 0.29 5.36 -1.26 -2.05 117.98 120.37 2kvz s PHE 31 Ca 0.46 1.14 0.00 0.00 -0.96 0.00 0.00 56.93 57.56 2kvz s PHE 31 Cb -0.11 -3.78 0.00 0.00 -0.34 0.00 0.00 43.02 38.78 2kvz s PHE 31 CO 0.22 -2.44 0.00 -1.71 -1.46 0.00 0.00 175.22 169.83 2kvz n ASN 32 N 1.92 -4.34 -4.69 6.13 5.15 -0.81 -4.90 115.26 113.72 2kvz n ASN 32 Ca 0.05 0.27 -0.38 0.00 -0.60 0.00 0.00 54.58 53.92 2kvz n ASN 32 Cb 0.41 -2.89 -0.07 0.00 -0.53 0.00 0.00 39.78 36.69 2kvz n ASN 32 CO 0.00 0.00 0.00 -0.70 1.40 0.00 0.00 177.26 177.96 2kvz s GLU 33 N -3.07 4.21 -0.29 1.20 2.12 -0.87 -4.81 118.70 117.19 2kvz s GLU 33 Ca 0.00 0.19 -0.29 0.00 0.36 0.00 0.00 54.97 55.23 2kvz s GLU 33 Cb 0.00 -3.50 0.01 0.00 0.26 0.00 0.00 34.13 30.90 2kvz s GLU 33 CO 0.00 0.05 1.12 0.00 -0.54 0.00 0.00 175.26 175.88 2kvz s ALA 34 N 1.05 3.52 0.43 6.30 0.00 -1.26 -1.58 121.76 130.21 2kvz s ALA 34 Ca 0.19 0.04 0.04 0.00 0.00 0.00 0.00 51.96 52.22 2kvz s ALA 34 Cb -0.14 -3.67 0.04 0.00 0.00 0.00 0.00 23.12 19.35 2kvz s ALA 34 CO 0.07 -1.44 0.30 2.48 0.00 0.00 0.00 175.76 177.17 2kvz n TYR 35 N 6.87 -0.67 -4.40 0.00 0.18 -0.24 -4.96 117.16 113.94 2kvz n TYR 35 Ca 0.13 -1.84 -0.20 0.00 1.88 0.00 0.00 57.90 57.86 2kvz n TYR 35 Cb 0.47 -0.35 -0.10 0.00 -0.38 0.00 0.00 39.34 38.98 2kvz n TYR 35 CO 0.00 0.00 0.00 -0.80 -2.08 0.00 0.00 176.86 173.98 2kvz s ASN 36 N -3.52 2.57 -0.33 9.48 0.01 -1.26 -4.13 114.94 117.76 2kvz s ASN 36 Ca 0.23 -1.17 0.04 0.00 -0.71 0.00 0.00 52.86 51.25 2kvz s ASN 36 Cb -0.02 -0.13 0.10 0.00 0.41 0.00 0.00 41.25 41.61 2kvz s ASN 36 CO 0.15 -0.34 0.04 -0.69 -1.51 0.00 0.00 177.10 174.74 2kvz s VAL 37 N -3.08 2.18 -0.63 1.60 1.01 -1.26 -5.06 120.40 115.16 2kvz s VAL 37 Ca 0.28 -2.24 -0.27 0.00 0.00 0.00 0.00 61.98 59.75 2kvz s VAL 37 Cb 0.03 -2.60 -0.00 0.00 0.00 0.00 0.00 36.38 33.81 2kvz s VAL 37 CO 0.10 -0.57 1.66 -2.16 0.00 0.00 0.00 175.10 174.14 2kvz s PRO 38 N 0.96 2.87 0.49 2.72 0.04 -1.26 -4.99 135.00 135.82 2kvz s PRO 38 Ca 0.10 0.40 -0.13 0.00 0.04 0.00 0.00 61.00 61.41 2kvz s PRO 38 Cb -0.19 -4.30 -0.07 0.00 0.04 0.00 0.00 34.50 29.99 2kvz s PRO 38 CO -0.09 -2.47 0.90 -1.64 0.04 0.00 0.00 177.00 173.75 2kvz s MET 39 N 6.50 3.81 0.40 4.56 -1.94 -1.26 -5.09 119.30 126.27 2kvz s MET 39 Ca 0.58 0.71 0.08 0.00 -1.71 0.00 0.00 55.69 55.34 2kvz s MET 39 Cb -0.12 -2.23 -0.07 0.00 2.01 0.00 0.00 34.83 34.42 2kvz s MET 39 CO 0.20 -0.23 0.02 0.15 -0.01 0.00 0.00 175.02 175.16 2kvz s LYS 40 N -4.19 1.99 -0.12 2.03 1.02 -1.26 -5.14 119.74 114.07 2kvz s LYS 40 Ca 0.55 -2.01 0.02 0.00 0.02 0.00 0.00 55.97 54.54 2kvz s LYS 40 Cb -0.10 -1.73 0.01 0.00 -0.52 0.00 0.00 37.83 35.49 2kvz s LYS 40 CO 0.35 -0.02 -0.17 0.21 -0.92 0.00 0.00 175.35 174.81 2kvz s LYS 41 N -3.73 2.42 0.40 1.68 2.20 -1.26 -5.02 119.74 116.43 2kvz s LYS 41 Ca 0.36 -0.63 0.02 0.00 -0.36 0.00 0.00 55.97 55.35 2kvz s LYS 41 Cb 0.07 -2.03 -0.01 0.00 -1.51 0.00 0.00 37.83 34.35 2kvz s LYS 41 CO 0.19 -0.06 0.59 0.42 -0.36 0.00 0.00 175.35 176.12 2kvz s ILE 42 N 0.97 4.24 -0.55 5.43 -1.09 -1.26 -4.97 121.20 123.97 2kvz s ILE 42 Ca -0.06 -0.64 -0.28 0.00 -2.23 0.00 0.00 60.65 57.44 2kvz s ILE 42 Cb -0.15 -3.54 -0.10 0.00 -1.58 0.00 0.00 42.46 37.10 2kvz s ILE 42 CO -0.02 -0.32 2.44 0.29 -1.23 0.00 0.00 174.94 176.10 2kvz n LYS 43 N -1.90 0.93 -2.04 2.79 5.02 -1.26 -1.24 118.16 120.47 2kvz n LYS 43 Ca -0.00 0.05 -0.03 0.00 -2.02 0.00 0.00 58.31 56.31 2kvz n LYS 43 Cb 0.58 -3.05 -0.00 0.00 -0.02 0.00 0.00 35.03 32.53 2kvz n LYS 43 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2kvz n GLY 44 N 6.11 0.26 3.44 0.72 0.00 -1.26 -4.97 105.19 109.49 2kvz n GLY 44 Ca 0.42 -0.77 -0.33 0.00 0.00 0.00 0.00 46.02 45.34 2kvz n GLY 44 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2kvz s TYR 45 N -2.15 2.76 0.09 1.61 1.51 -0.37 -1.27 117.35 119.54 2kvz s TYR 45 Ca 0.00 -0.33 0.10 0.00 -1.01 0.00 0.00 57.07 55.83 2kvz s TYR 45 Cb 0.00 -1.72 -0.04 0.00 -0.11 0.00 0.00 41.96 40.09 2kvz s TYR 45 CO 0.00 0.04 -0.24 0.99 -1.11 0.00 0.00 175.55 175.24 2kvz s THR 46 N -0.31 2.43 0.20 -0.71 2.01 0.99 -4.48 115.64 115.76 2kvz s THR 46 Ca 0.03 -1.53 -0.30 0.00 0.31 0.00 0.00 61.69 60.20 2kvz s THR 46 Cb -0.13 -2.05 -0.08 0.00 0.01 0.00 0.00 72.50 70.25 2kvz s THR 46 CO 0.03 0.20 1.20 -0.22 -0.69 0.00 0.00 174.62 175.13 2kvz s LEU 47 N -1.78 4.46 -0.07 4.42 2.96 -1.26 0.67 118.68 128.07 2kvz s LEU 47 Ca 0.14 2.26 -0.02 0.00 -0.22 0.00 0.00 54.13 56.29 2kvz s LEU 47 Cb -0.10 -3.61 -0.01 0.00 0.50 0.00 0.00 46.19 42.97 2kvz s LEU 47 CO 0.06 -0.36 0.10 0.25 -1.32 0.00 0.00 176.35 175.08 2kvz h LEU 48 N 5.08 -0.07 0.00 -0.68 5.85 -1.77 -3.44 115.31 120.29 2kvz h LEU 48 Ca -0.45 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.27 2kvz h LEU 48 Cb 1.21 0.02 0.00 0.00 0.37 0.00 0.00 40.66 42.26 2kvz h LEU 48 CO 0.74 0.34 0.00 1.17 -0.34 0.00 0.00 178.44 180.35 2kvz n LYS 49 N -4.37 0.00 -5.03 1.25 4.81 -1.25 -5.07 118.16 108.50 2kvz n LYS 49 Ca -0.01 0.00 -0.32 0.00 -0.87 0.00 0.00 58.31 57.11 2kvz n LYS 49 Cb 0.03 0.00 -0.14 0.00 0.02 0.00 0.00 35.03 34.94 2kvz n LYS 49 CO 0.00 0.00 0.00 1.52 1.17 0.00 0.00 177.40 180.09 2kvz s TYR 50 N -2.00 2.55 -0.06 5.64 -0.85 -1.26 -4.26 117.35 117.10 2kvz s TYR 50 Ca 0.00 -0.27 -0.15 0.00 -0.52 0.00 0.00 57.07 56.13 2kvz s TYR 50 Cb 0.00 -1.57 -0.10 0.00 0.38 0.00 0.00 41.96 40.67 2kvz s TYR 50 CO 0.00 0.11 0.58 -0.44 -1.52 0.00 0.00 175.55 174.27 2kvz h ASP 51 N 5.34 -0.23 -3.28 -0.18 3.32 -2.02 -3.45 116.42 115.91 2kvz h ASP 51 Ca -0.45 -0.18 -0.53 0.00 0.02 0.00 0.00 57.03 55.89 2kvz h ASP 51 Cb 1.14 0.06 0.06 0.00 0.22 0.00 0.00 39.33 40.81 2kvz h ASP 51 CO 0.49 0.29 0.80 -0.44 -1.72 0.00 0.00 179.24 178.66 2kvz s SER 52 N -5.34 6.61 0.06 6.45 0.01 -1.26 -4.93 113.70 115.30 2kvz s SER 52 Ca -0.08 2.69 -0.30 0.00 1.31 0.00 0.00 55.95 59.56 2kvz s SER 52 Cb 0.00 -2.62 -0.09 0.00 0.21 0.00 0.00 66.02 63.53 2kvz s SER 52 CO 0.29 -0.75 1.76 -1.61 0.41 0.00 0.00 173.24 173.35 2kvz s GLU 53 N -0.14 4.17 0.35 12.44 2.02 -1.26 -4.89 118.70 131.39 2kvz s GLU 53 Ca 0.62 2.44 0.02 0.00 0.02 0.00 0.00 54.97 58.06 2kvz s GLU 53 Cb -0.43 -3.76 0.62 0.00 0.10 0.00 0.00 34.13 30.66 2kvz s GLU 53 CO 0.42 -0.82 2.01 0.82 0.02 0.00 0.00 175.26 177.70 2kvz h ILE 54 N 5.04 1.16 -1.52 -1.63 1.08 -1.95 -3.34 117.51 116.35 2kvz h ILE 54 Ca -0.44 -0.30 -0.58 0.00 -0.39 0.00 0.00 64.86 63.14 2kvz h ILE 54 Cb 1.21 0.20 -0.09 0.00 -3.07 0.00 0.00 36.82 35.07 2kvz h ILE 54 CO 0.94 0.16 1.35 -0.76 -0.69 0.00 0.00 178.15 179.15 2kvz s LEU 55 N -9.75 3.39 0.30 1.44 1.43 -1.26 -4.58 118.68 109.65 2kvz s LEU 55 Ca -0.10 -1.12 0.05 0.00 -1.03 0.00 0.00 54.13 51.93 2kvz s LEU 55 Cb 0.18 -2.57 -0.03 0.00 0.03 0.00 0.00 46.19 43.80 2kvz s LEU 55 CO 0.77 -1.62 0.23 -0.83 0.23 0.00 0.00 176.35 175.13 2kvz s GLY 56 N 4.58 2.14 0.13 -3.19 0.00 -1.26 -4.99 107.32 104.74 2kvz s GLY 56 Ca 0.42 -1.94 0.05 0.00 0.00 0.00 0.00 44.72 43.26 2kvz s GLY 56 CO -0.02 -1.48 0.06 -1.34 0.00 0.00 0.00 173.10 170.32 2kvz s VAL 57 N -3.60 4.17 0.28 1.40 -7.23 -1.26 -1.08 120.40 113.08 2kvz s VAL 57 Ca 0.39 -1.10 -0.30 0.00 -1.81 0.00 0.00 61.98 59.17 2kvz s VAL 57 Cb 0.04 -3.06 -0.10 0.00 0.56 0.00 0.00 36.38 33.81 2kvz s VAL 57 CO 0.23 -0.01 1.45 -0.36 -0.31 0.00 0.00 175.10 176.09 2kvz s PHE 58 N -1.57 2.93 0.30 2.82 0.08 -0.62 -4.83 117.98 117.09 2kvz s PHE 58 Ca 0.28 1.07 0.10 0.00 0.12 0.00 0.00 56.93 58.50 2kvz s PHE 58 Cb -0.11 -3.86 -0.05 0.00 -0.57 0.00 0.00 43.02 38.44 2kvz s PHE 58 CO 0.21 -2.71 -0.05 0.95 -0.10 0.00 0.00 175.22 173.51 2kvz s THR 59 N -0.32 2.83 0.14 0.64 -4.23 -1.26 -1.93 115.64 111.51 2kvz s THR 59 Ca 0.57 -2.08 -0.23 0.00 -1.18 0.00 0.00 61.69 58.77 2kvz s THR 59 Cb -0.43 -2.67 0.00 0.00 1.34 0.00 0.00 72.50 70.74 2kvz s THR 59 CO 0.48 -0.31 1.64 -0.33 -0.54 0.00 0.00 174.62 175.55 2kvz h GLU 60 N 1.96 -0.26 -6.81 3.99 4.39 -1.95 -3.34 114.58 112.56 2kvz h GLU 60 Ca -0.42 0.02 -0.49 0.00 0.34 0.00 0.00 59.36 58.80 2kvz h GLU 60 Cb 1.25 0.06 -0.01 0.00 -0.10 0.00 0.00 28.75 29.95 2kvz h GLU 60 CO 0.63 -0.18 0.13 -1.54 -1.16 0.00 0.00 179.01 176.90 2kvz s SER 61 N -5.01 6.70 -0.25 1.42 1.04 -1.26 -3.51 113.70 112.83 2kvz s SER 61 Ca -0.15 1.28 -0.34 0.00 0.48 0.00 0.00 55.95 57.22 2kvz s SER 61 Cb 0.11 -2.37 -0.11 0.00 0.10 0.00 0.00 66.02 63.75 2kvz s SER 61 CO 0.67 -0.29 2.08 -2.65 0.98 0.00 0.00 173.24 174.03 2kvz n PRO 62 N -0.73 1.52 -3.06 4.02 -0.02 -1.26 -4.65 135.00 130.82 2kvz n PRO 62 Ca 0.04 0.47 -0.41 0.00 -2.02 0.00 0.00 63.50 61.58 2kvz n PRO 62 Cb 0.53 -2.62 -0.06 0.00 -0.02 0.00 0.00 33.50 31.34 2kvz n PRO 62 CO 0.00 0.00 0.00 -1.14 1.98 0.00 0.00 175.50 176.34 2kvz s GLN 63 N 5.50 3.96 -0.34 -0.52 0.74 -0.57 -4.91 119.66 123.52 2kvz s GLN 63 Ca 1.03 0.43 -0.14 0.00 0.05 0.00 0.00 55.36 56.73 2kvz s GLN 63 Cb -0.74 -3.71 -0.01 0.00 1.10 0.00 0.00 33.01 29.64 2kvz s GLN 63 CO 0.49 -0.57 0.29 0.99 -0.55 0.00 0.00 175.29 175.93 2kvz s THR 64 N 2.69 5.24 -0.40 -0.34 2.01 -1.26 0.16 115.64 123.74 2kvz s THR 64 Ca 0.27 -0.11 -0.11 0.00 0.31 0.00 0.00 61.69 62.05 2kvz s THR 64 Cb -0.15 -3.76 0.04 0.00 0.01 0.00 0.00 72.50 68.64 2kvz s THR 64 CO 0.11 -0.05 0.25 -0.63 -0.69 0.00 0.00 174.62 173.61 2kvz s ILE 65 N 1.84 4.63 -0.62 1.82 1.01 0.08 -4.96 121.20 124.99 2kvz s ILE 65 Ca 0.08 -0.99 -0.21 0.00 0.00 0.00 0.00 60.65 59.53 2kvz s ILE 65 Cb -0.17 -3.66 0.08 0.00 0.01 0.00 0.00 42.46 38.72 2kvz s ILE 65 CO 0.11 -0.34 0.85 0.20 0.00 0.00 0.00 174.94 175.76 2kvz s ASN 66 N 1.79 6.19 -0.53 3.58 0.01 -1.26 -0.85 114.94 123.87 2kvz s ASN 66 Ca 0.03 -1.12 -0.20 0.00 -0.71 0.00 0.00 52.86 50.86 2kvz s ASN 66 Cb -0.21 -2.37 0.06 0.00 0.41 0.00 0.00 41.25 39.15 2kvz s ASN 66 CO 0.06 -1.29 0.68 -0.63 -1.51 0.00 0.00 177.10 174.41 2kvz s ILE 67 N 3.49 4.80 -0.21 0.60 -1.09 0.33 -4.72 121.20 124.40 2kvz s ILE 67 Ca 0.18 -0.47 -0.12 0.00 -2.23 0.00 0.00 60.65 58.01 2kvz s ILE 67 Cb -0.19 -4.36 -0.05 0.00 -1.58 0.00 0.00 42.46 36.28 2kvz s ILE 67 CO 0.09 -0.90 0.23 -0.63 -1.23 0.00 0.00 174.94 172.50 2kvz s ILE 68 N 2.82 5.32 0.00 2.92 1.01 -1.26 0.30 121.20 132.32 2kvz s ILE 68 Ca 0.16 0.36 0.00 0.00 0.00 0.00 0.00 60.65 61.17 2kvz s ILE 68 Cb -0.19 -3.57 -0.04 0.00 0.01 0.00 0.00 42.46 38.67 2kvz s ILE 68 CO 0.12 0.34 0.06 -0.31 0.00 0.00 0.00 174.94 175.15 2kvz s TYR 69 N 0.93 3.22 0.20 3.97 1.51 0.70 -2.23 117.35 125.66 2kvz s TYR 69 Ca 0.11 0.16 0.07 0.00 -1.01 0.00 0.00 57.07 56.41 2kvz s TYR 69 Cb -0.13 -1.71 -0.04 0.00 -0.11 0.00 0.00 41.96 39.97 2kvz s TYR 69 CO 0.04 0.53 0.06 1.14 -1.11 0.00 0.00 175.55 176.20 2kvz s GLN 70 N -1.75 2.56 0.20 -0.62 -2.07 0.21 -3.18 119.66 115.00 2kvz s GLN 70 Ca 0.23 -1.11 -0.07 0.00 -1.82 0.00 0.00 55.36 52.58 2kvz s GLN 70 Cb -0.12 -2.41 -0.06 0.00 -1.09 0.00 0.00 33.01 29.33 2kvz s GLN 70 CO 0.14 0.44 0.47 0.15 -1.32 0.00 0.00 175.29 175.16 2kvz s LYS 71 N -3.25 3.70 -0.74 9.60 1.02 -1.26 -0.01 119.74 128.81 2kvz s LYS 71 Ca 0.30 0.08 -0.07 0.00 0.02 0.00 0.00 55.97 56.30 2kvz s LYS 71 Cb -0.09 -2.74 -0.13 0.00 -0.52 0.00 0.00 37.83 34.35 2kvz s LYS 71 CO 0.21 0.38 3.19 1.63 -0.92 0.00 0.00 175.35 179.83 2kvz n LYS 72 N -0.11 2.88 0.02 1.68 5.02 -0.40 -3.48 118.16 123.77 2kvz n LYS 72 Ca -0.01 -1.80 0.00 0.00 -2.02 0.00 0.00 58.31 54.48 2kvz n LYS 72 Cb 0.52 -2.35 0.00 0.00 -0.02 0.00 0.00 35.03 33.18 2kvz n LYS 72 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2kvz n ALA 73 N 2.62 2.81 -2.12 7.82 0.00 -1.26 -5.02 120.51 125.37 2kvz n ALA 73 Ca 0.58 0.00 -0.43 0.00 0.00 0.00 0.00 53.44 53.59 2kvz n ALA 73 Cb 0.58 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 20.00 2kvz n ALA 73 CO 0.00 0.00 0.00 -2.14 0.00 0.00 0.00 177.50 175.36 2kvz s PRO 74 N -2.00 3.40 -0.03 0.00 0.02 -1.23 -4.98 135.00 130.19 2kvz s PRO 74 Ca 0.00 1.24 -0.30 0.00 0.02 0.00 0.00 61.00 61.96 2kvz s PRO 74 Cb 0.00 -4.15 -0.03 0.00 0.02 0.00 0.00 34.50 30.34 2kvz s PRO 74 CO 0.00 -1.78 1.13 -2.00 -0.33 0.00 0.00 177.00 174.02 2kvz s GLU 75 N 5.45 4.42 -0.08 5.54 2.12 -1.26 -4.77 118.70 130.12 2kvz s GLU 75 Ca 0.73 1.60 -0.30 0.00 0.36 0.00 0.00 54.97 57.37 2kvz s GLU 75 Cb -0.19 -3.49 -0.02 0.00 0.26 0.00 0.00 34.13 30.68 2kvz s GLU 75 CO 0.33 -0.31 1.14 -1.14 -0.54 0.00 0.00 175.26 174.74 2kvz s GLN 76 N 1.71 4.36 0.22 4.30 0.74 -1.26 -4.92 119.66 124.81 2kvz s GLN 76 Ca 0.54 1.58 0.08 0.00 0.05 0.00 0.00 55.36 57.61 2kvz s GLN 76 Cb -0.24 -3.57 0.18 0.00 1.10 0.00 0.00 33.01 30.49 2kvz s GLN 76 CO 0.24 -0.43 1.51 0.00 -0.55 0.00 0.00 175.29 176.06 2kvz h ALA 77 N 7.39 0.78 -2.00 1.58 0.00 -2.05 -3.40 119.26 121.56 2kvz h ALA 77 Ca -0.32 -0.65 -0.70 0.00 0.00 0.00 0.00 54.91 53.24 2kvz h ALA 77 Cb 1.15 -0.11 -0.19 0.00 0.00 0.00 0.00 17.79 18.64 2kvz h ALA 77 CO 0.88 0.89 0.39 -0.51 0.00 0.00 0.00 179.25 180.90 2kvz s LEU 78 N -7.43 5.32 0.17 0.00 1.43 -1.26 -5.01 118.68 111.90 2kvz s LEU 78 Ca -0.01 -1.72 -0.32 0.00 -1.03 0.00 0.00 54.13 51.06 2kvz s LEU 78 Cb 0.12 -2.34 -0.11 0.00 0.03 0.00 0.00 46.19 43.89 2kvz s LEU 78 CO 0.79 -1.08 1.67 -0.70 0.23 0.00 0.00 176.35 177.26 2kvz s GLU 79 N 2.56 4.17 0.52 1.70 -6.30 -1.26 -4.86 118.70 115.23 2kvz s GLU 79 Ca 0.20 2.49 0.35 0.00 -2.50 0.00 0.00 54.97 55.51 2kvz s GLU 79 Cb -0.15 -3.21 1.90 0.00 0.00 0.00 0.00 34.13 32.67 2kvz s GLU 79 CO 0.00 -0.70 2.08 0.45 0.02 0.00 0.00 175.26 177.10 2kvz h HIS 80 N 7.12 0.00 -3.13 5.30 3.86 -1.96 -3.46 115.15 122.88 2kvz h HIS 80 Ca -0.43 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 58.78 2kvz h HIS 80 Cb 1.20 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.67 2kvz h HIS 80 CO 0.67 0.00 -0.02 0.72 0.86 0.00 0.00 177.93 180.17 2kvz n HIS 81 N -2.74 -0.19 1.11 2.45 -0.00 -1.26 -4.97 115.22 109.62 2kvz n HIS 81 Ca -0.02 0.07 0.12 0.00 -0.00 0.00 0.00 57.72 57.89 2kvz n HIS 81 Cb 0.06 -1.65 0.16 0.00 -0.00 0.00 0.00 29.99 28.57 2kvz n HIS 81 CO 0.00 0.00 0.00 0.72 -0.00 0.00 0.00 176.34 177.06 2kvz n HIS 82 N -0.73 0.00 -4.19 4.41 8.25 -1.26 -4.90 115.22 116.79 2kvz n HIS 82 Ca 0.00 0.00 -0.16 0.00 -0.26 0.00 0.00 57.72 57.30 2kvz n HIS 82 Cb 0.23 -0.06 -0.14 0.00 1.12 0.00 0.00 29.99 31.15 2kvz n HIS 82 CO 0.00 0.00 0.00 -1.01 0.64 0.00 0.00 176.34 175.97 2kvz s HIS 83 N -2.51 0.64 -0.23 4.41 3.76 -1.26 -5.05 115.29 115.04 2kvz s HIS 83 Ca 0.21 -0.21 -0.11 0.00 -0.15 0.00 0.00 55.06 54.80 2kvz s HIS 83 Cb 0.19 -0.40 -0.17 0.00 1.11 0.00 0.00 32.58 33.30 2kvz s HIS 83 CO 0.56 -0.02 -0.07 0.72 -0.85 0.00 0.00 174.74 175.08 2kvz n HIS 84 N 2.53 0.45 -1.33 1.40 8.25 -1.26 -5.11 115.22 120.15 2kvz n HIS 84 Ca -0.15 0.15 0.00 0.00 -0.26 0.00 0.00 57.72 57.46 2kvz n HIS 84 Cb 0.57 -1.05 0.00 0.00 1.12 0.00 0.00 29.99 30.63 2kvz n HIS 84 CO 0.00 0.00 0.00 1.58 0.64 0.00 0.00 176.34 178.56