#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kvz h ASP 2 N 0.00 0.00 -3.51 7.83 3.32 -2.13 -3.43 116.42 118.50 2kvz h ASP 2 Ca 0.00 0.00 -0.67 0.00 0.02 0.00 0.00 57.03 56.38 2kvz h ASP 2 Cb 0.00 0.00 -0.29 0.00 0.22 0.00 0.00 39.33 39.26 2kvz h ASP 2 CO 0.00 0.85 -0.70 -0.36 -1.72 0.00 0.00 179.24 177.31 2kvz s PHE 3 N -2.76 3.06 0.16 4.55 0.08 -1.26 -5.08 117.98 116.73 2kvz s PHE 3 Ca -0.00 -1.16 -0.19 0.00 0.12 0.00 0.00 56.93 55.70 2kvz s PHE 3 Cb 0.09 -2.14 0.04 0.00 -0.57 0.00 0.00 43.02 40.44 2kvz s PHE 3 CO 0.80 -0.62 0.51 0.20 -0.10 0.00 0.00 175.22 176.01 2kvz s GLY 4 N 1.43 -0.34 -0.34 4.36 0.00 -1.26 -5.13 107.32 106.04 2kvz s GLY 4 Ca 0.03 0.08 -0.15 0.00 0.00 0.00 0.00 44.72 44.68 2kvz s GLY 4 CO -0.02 -0.13 0.34 0.54 0.00 0.00 0.00 173.10 173.83 2kvz s LYS 5 N -3.81 3.54 -0.49 2.90 3.01 -1.26 -5.05 119.74 118.59 2kvz s LYS 5 Ca 0.04 -0.46 -0.22 0.00 -1.01 0.00 0.00 55.97 54.32 2kvz s LYS 5 Cb -0.00 -3.81 0.04 0.00 -1.01 0.00 0.00 37.83 33.05 2kvz s LYS 5 CO -0.09 -0.52 0.76 -1.25 0.51 0.00 0.00 175.35 174.76 2kvz s PRO 6 N 1.97 3.29 -1.12 -1.68 0.04 -1.26 -4.98 135.00 131.25 2kvz s PRO 6 Ca 0.11 -0.40 -0.21 0.00 0.04 0.00 0.00 61.00 60.54 2kvz s PRO 6 Cb -0.17 -4.01 0.06 0.00 0.04 0.00 0.00 34.50 30.41 2kvz s PRO 6 CO 0.11 -1.23 1.57 1.21 0.04 0.00 0.00 177.00 178.70 2kvz s ASN 7 N 2.45 6.60 -0.29 6.66 2.47 -1.26 -3.48 114.94 128.09 2kvz s ASN 7 Ca 0.25 -1.81 -0.01 0.00 0.42 0.00 0.00 52.86 51.70 2kvz s ASN 7 Cb -0.14 -2.57 0.09 0.00 -1.45 0.00 0.00 41.25 37.18 2kvz s ASN 7 CO 0.18 -1.41 0.09 -1.58 -3.72 0.00 0.00 177.10 170.66 2kvz s GLN 8 N 4.73 0.69 -0.28 0.43 0.74 -1.26 -4.32 119.66 120.39 2kvz s GLN 8 Ca 0.49 -0.96 -0.22 0.00 0.05 0.00 0.00 55.36 54.73 2kvz s GLN 8 Cb 0.01 -1.95 -0.01 0.00 1.10 0.00 0.00 33.01 32.17 2kvz s GLN 8 CO -0.03 -0.94 0.71 0.08 -0.55 0.00 0.00 175.29 174.56 2kvz s VAL 9 N 1.68 4.89 -0.56 1.34 1.01 0.79 -2.88 120.40 126.66 2kvz s VAL 9 Ca 0.08 1.17 -0.20 0.00 0.00 0.00 0.00 61.98 63.03 2kvz s VAL 9 Cb -0.17 -4.04 0.07 0.00 0.00 0.00 0.00 36.38 32.24 2kvz s VAL 9 CO -0.24 -0.11 0.73 -0.89 0.00 0.00 0.00 175.10 174.60 2kvz s THR 10 N 2.72 4.73 -0.48 3.92 2.01 0.23 0.54 115.64 129.31 2kvz s THR 10 Ca 0.29 -0.57 -0.23 0.00 0.31 0.00 0.00 61.69 61.50 2kvz s THR 10 Cb -0.15 -4.44 0.03 0.00 0.01 0.00 0.00 72.50 67.95 2kvz s THR 10 CO 0.10 -1.04 0.80 -0.69 -0.69 0.00 0.00 174.62 173.10 2kvz s VAL 11 N 2.99 4.61 -0.23 3.82 1.01 0.79 -0.12 120.40 133.27 2kvz s VAL 11 Ca 0.16 0.30 -0.09 0.00 0.00 0.00 0.00 61.98 62.35 2kvz s VAL 11 Cb -0.20 -4.37 -0.05 0.00 0.00 0.00 0.00 36.38 31.77 2kvz s VAL 11 CO 0.10 -0.82 0.13 0.20 0.00 0.00 0.00 175.10 174.72 2kvz s ASN 12 N 2.35 5.90 -0.82 3.32 0.01 0.68 -0.57 114.94 125.81 2kvz s ASN 12 Ca 0.28 0.07 -0.17 0.00 -0.71 0.00 0.00 52.86 52.33 2kvz s ASN 12 Cb -0.13 -2.05 0.15 0.00 0.41 0.00 0.00 41.25 39.63 2kvz s ASN 12 CO 0.21 0.07 0.92 -0.31 -1.51 0.00 0.00 177.10 176.48 2kvz s TYR 13 N 0.99 3.31 0.14 2.20 2.02 -1.26 -0.45 117.35 124.30 2kvz s TYR 13 Ca 0.06 -1.50 0.02 0.00 -0.37 0.00 0.00 57.07 55.29 2kvz s TYR 13 Cb -0.13 -4.07 -0.04 0.00 -0.40 0.00 0.00 41.96 37.32 2kvz s TYR 13 CO 0.04 -1.28 0.27 -0.51 -1.57 0.00 0.00 175.55 172.50 2kvz s LEU 14 N 1.85 4.34 0.00 -1.29 1.43 0.17 -0.78 118.68 124.40 2kvz s LEU 14 Ca 0.23 0.18 0.00 0.00 -1.03 0.00 0.00 54.13 53.51 2kvz s LEU 14 Cb -0.11 -2.91 0.00 0.00 0.03 0.00 0.00 46.19 43.20 2kvz s LEU 14 CO -0.06 0.06 0.00 -0.67 0.23 0.00 0.00 176.35 175.92 2kvz n ASP 15 N -0.46 0.00 0.08 2.29 2.03 0.12 -0.47 116.55 120.14 2kvz n ASP 15 Ca -0.07 -0.57 -0.02 0.00 0.52 0.00 0.00 54.79 54.65 2kvz n ASP 15 Cb 0.54 0.00 -0.06 0.00 -0.72 0.00 0.00 41.12 40.87 2kvz n ASP 15 CO 0.00 0.00 0.00 -0.08 -1.92 0.00 0.00 177.20 175.20 2kvz h GLU 16 N 0.00 0.00 -0.03 -0.67 4.81 -1.88 -2.14 114.58 114.66 2kvz h GLU 16 Ca 0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 2kvz h GLU 16 Cb 0.00 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.38 2kvz h GLU 16 CO 0.00 0.63 0.00 0.27 -0.73 0.00 0.00 179.01 179.18 2kvz n ASN 17 N -3.18 0.29 -1.33 1.04 6.94 -1.26 -4.88 115.26 112.87 2kvz n ASN 17 Ca -0.03 -1.57 -0.12 0.00 -0.02 0.00 0.00 54.58 52.84 2kvz n ASN 17 Cb 0.86 -0.02 -0.02 0.00 -2.36 0.00 0.00 39.78 38.24 2kvz n ASN 17 CO 0.00 0.00 0.00 0.59 -1.03 0.00 0.00 177.26 176.82 2kvz n ASN 18 N -0.55 -4.05 -4.73 0.53 4.13 -0.80 -5.01 115.26 104.77 2kvz n ASN 18 Ca 0.12 0.05 -0.36 0.00 1.68 0.00 0.00 54.58 56.07 2kvz n ASN 18 Cb 0.10 -3.14 -0.07 0.00 -1.54 0.00 0.00 39.78 35.13 2kvz n ASN 18 CO 0.00 0.00 0.00 -0.89 0.28 0.00 0.00 177.26 176.65 2kvz s THR 19 N -2.59 5.35 -0.24 3.41 2.01 -1.26 -4.71 115.64 117.60 2kvz s THR 19 Ca 0.00 0.40 -0.29 0.00 0.31 0.00 0.00 61.69 62.12 2kvz s THR 19 Cb 0.00 -3.56 -0.03 0.00 0.01 0.00 0.00 72.50 68.91 2kvz s THR 19 CO 0.00 0.41 1.86 -0.55 -0.69 0.00 0.00 174.62 175.65 2kvz s SER 20 N 0.39 5.98 0.34 3.53 0.15 -1.26 -0.70 113.70 122.13 2kvz s SER 20 Ca 0.13 1.65 0.23 0.00 0.70 0.00 0.00 55.95 58.66 2kvz s SER 20 Cb -0.12 -2.52 0.27 0.00 -1.71 0.00 0.00 66.02 61.93 2kvz s SER 20 CO 0.02 -1.58 1.44 0.16 1.20 0.00 0.00 173.24 174.47 2kvz h ILE 21 N 6.60 0.00 -2.82 6.45 3.07 -1.27 -3.46 117.51 126.09 2kvz h ILE 21 Ca -0.37 -0.94 -0.52 0.00 1.55 0.00 0.00 64.86 64.58 2kvz h ILE 21 Cb 1.19 1.78 -0.15 0.00 -0.27 0.00 0.00 36.82 39.36 2kvz h ILE 21 CO 1.00 0.00 -0.76 0.00 -1.05 0.00 0.00 178.15 177.34 2kvz s ALA 22 N -3.25 2.22 0.34 0.16 0.00 -1.22 -5.11 121.76 114.90 2kvz s ALA 22 Ca 0.05 -1.67 -0.29 0.00 0.00 0.00 0.00 51.96 50.05 2kvz s ALA 22 Cb 0.07 -0.16 -0.12 0.00 0.00 0.00 0.00 23.12 22.91 2kvz s ALA 22 CO 0.70 0.18 1.45 -2.30 0.00 0.00 0.00 175.76 175.79 2kvz n PRO 23 N -0.25 2.49 -2.09 0.00 -0.02 -1.26 -4.49 135.00 129.38 2kvz n PRO 23 Ca -0.09 0.88 -0.42 0.00 -2.02 0.00 0.00 63.50 61.86 2kvz n PRO 23 Cb 0.59 -2.57 -0.03 0.00 -0.02 0.00 0.00 33.50 31.47 2kvz n PRO 23 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 2kvz s SER 24 N -0.03 6.75 -0.32 2.55 0.15 -1.26 -4.73 113.70 116.81 2kvz s SER 24 Ca 0.57 2.53 -0.15 0.00 0.70 0.00 0.00 55.95 59.60 2kvz s SER 24 Cb -0.52 -2.61 -0.02 0.00 -1.71 0.00 0.00 66.02 61.16 2kvz s SER 24 CO 0.60 -0.65 0.35 -0.22 1.20 0.00 0.00 173.24 174.51 2kvz s LEU 25 N 0.11 4.34 -0.60 3.45 2.96 0.27 -4.92 118.68 124.28 2kvz s LEU 25 Ca 0.61 -0.13 -0.21 0.00 -0.22 0.00 0.00 54.13 54.18 2kvz s LEU 25 Cb -0.40 -2.33 0.08 0.00 0.50 0.00 0.00 46.19 44.04 2kvz s LEU 25 CO 0.38 -0.29 0.81 -0.31 -1.32 0.00 0.00 176.35 175.62 2kvz s TYR 26 N 2.00 2.86 -0.41 5.38 2.02 -1.26 -0.15 117.35 127.80 2kvz s TYR 26 Ca 0.12 -0.67 -0.22 0.00 -0.37 0.00 0.00 57.07 55.93 2kvz s TYR 26 Cb -0.16 -4.05 0.02 0.00 -0.40 0.00 0.00 41.96 37.36 2kvz s TYR 26 CO 0.11 -1.40 0.71 -1.17 -1.57 0.00 0.00 175.55 172.24 2kvz s LEU 27 N 3.30 4.30 -0.07 -1.29 2.96 0.19 -4.89 118.68 123.18 2kvz s LEU 27 Ca 0.18 -0.05 0.03 0.00 -0.22 0.00 0.00 54.13 54.07 2kvz s LEU 27 Cb -0.20 -2.87 0.00 0.00 0.50 0.00 0.00 46.19 43.63 2kvz s LEU 27 CO 0.10 -0.78 -0.18 -0.94 -1.32 0.00 0.00 176.35 173.23 2kvz s SER 28 N 1.98 2.33 0.00 3.68 1.04 -1.26 -0.15 113.70 121.32 2kvz s SER 28 Ca 0.27 -0.40 0.00 0.00 0.48 0.00 0.00 55.95 56.30 2kvz s SER 28 Cb -0.13 -0.96 0.00 0.00 0.10 0.00 0.00 66.02 65.03 2kvz s SER 28 CO 0.19 0.11 0.00 0.61 0.98 0.00 0.00 173.24 175.13 2kvz n GLY 29 N 3.53 4.49 3.89 7.32 0.00 -1.26 -5.07 105.19 118.09 2kvz n GLY 29 Ca -0.20 -0.65 -0.30 0.00 0.00 0.00 0.00 46.02 44.86 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 4.13 0.22 0.99 1.43 -1.26 -4.98 118.68 119.22 2kvz s LEU 30 Ca 0.00 0.76 -0.30 0.00 -1.03 0.00 0.00 54.13 53.56 2kvz s LEU 30 Cb 0.00 -3.54 -0.09 0.00 0.03 0.00 0.00 46.19 42.59 2kvz s LEU 30 CO 0.00 -0.11 1.37 0.12 0.23 0.00 0.00 176.35 177.96 2kvz s PHE 31 N -1.92 3.16 -1.56 0.29 5.36 -1.26 -2.45 117.98 119.59 2kvz s PHE 31 Ca 0.44 1.14 0.00 0.00 -0.96 0.00 0.00 56.93 57.55 2kvz s PHE 31 Cb -0.11 -3.70 0.00 0.00 -0.34 0.00 0.00 43.02 38.87 2kvz s PHE 31 CO 0.26 -2.22 0.00 -1.71 -1.46 0.00 0.00 175.22 170.09 2kvz n ASN 32 N 2.50 -4.83 -4.73 6.13 5.15 -0.75 -4.93 115.26 113.80 2kvz n ASN 32 Ca 0.06 0.26 -0.37 0.00 -0.60 0.00 0.00 54.58 53.93 2kvz n ASN 32 Cb 0.42 -3.79 -0.06 0.00 -0.53 0.00 0.00 39.78 35.81 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 -3.78 4.29 -0.17 1.20 2.12 -1.03 -4.76 118.70 116.57 2kvz s GLU 33 Ca 0.00 0.32 -0.29 0.00 0.36 0.00 0.00 54.97 55.36 2kvz s GLU 33 Cb 0.00 -3.42 -0.04 0.00 0.26 0.00 0.00 34.13 30.92 2kvz s GLU 33 CO 0.00 0.21 1.76 0.00 -0.54 0.00 0.00 175.26 176.69 2kvz s ALA 34 N 0.50 3.27 0.39 6.30 0.00 -1.26 -1.28 121.76 129.68 2kvz s ALA 34 Ca 0.23 0.69 0.02 0.00 0.00 0.00 0.00 51.96 52.89 2kvz s ALA 34 Cb -0.14 -3.87 -0.01 0.00 0.00 0.00 0.00 23.12 19.09 2kvz s ALA 34 CO 0.08 -1.97 0.58 1.52 0.00 0.00 0.00 175.76 175.97 2kvz s TYR 35 N 5.45 3.25 0.07 0.00 1.13 -1.22 -4.99 117.35 121.04 2kvz s TYR 35 Ca 0.78 0.12 0.09 0.00 -1.41 0.00 0.00 57.07 56.65 2kvz s TYR 35 Cb -0.29 -2.13 -0.03 0.00 -1.10 0.00 0.00 41.96 38.40 2kvz s TYR 35 CO 0.32 -0.16 -0.24 -0.80 -2.51 0.00 0.00 175.55 172.16 2kvz s ASN 36 N -4.17 2.93 -0.24 -0.18 0.01 -1.26 -4.86 114.94 107.17 2kvz s ASN 36 Ca 0.45 -0.63 -0.02 0.00 -0.71 0.00 0.00 52.86 51.96 2kvz s ASN 36 Cb -0.10 -0.23 0.02 0.00 0.41 0.00 0.00 41.25 41.36 2kvz s ASN 36 CO 0.35 0.19 -0.07 -0.69 -1.51 0.00 0.00 177.10 175.37 2kvz s VAL 37 N -0.92 2.86 -0.30 1.60 1.01 -1.26 -5.07 120.40 118.32 2kvz s VAL 37 Ca 0.10 -0.96 -0.28 0.00 0.00 0.00 0.00 61.98 60.85 2kvz s VAL 37 Cb -0.10 -2.41 -0.03 0.00 0.00 0.00 0.00 36.38 33.84 2kvz s VAL 37 CO 0.03 0.25 1.93 -2.84 0.00 0.00 0.00 175.10 174.47 2kvz s PRO 38 N 1.34 3.25 -0.96 2.72 0.02 -1.26 -4.92 135.00 135.20 2kvz s PRO 38 Ca 0.01 1.59 -0.23 0.00 0.02 0.00 0.00 61.00 62.39 2kvz s PRO 38 Cb -0.16 -4.25 0.05 0.00 0.02 0.00 0.00 34.50 30.16 2kvz s PRO 38 CO -0.05 -1.95 1.39 -1.64 -0.33 0.00 0.00 177.00 174.41 2kvz s MET 39 N 5.90 3.51 0.30 5.54 -1.94 -1.26 -4.99 119.30 126.37 2kvz s MET 39 Ca 0.86 -1.00 -0.27 0.00 -1.71 0.00 0.00 55.69 53.57 2kvz s MET 39 Cb -0.25 -5.09 -0.10 0.00 2.01 0.00 0.00 34.83 31.40 2kvz s MET 39 CO 0.34 -2.16 0.96 0.15 -0.01 0.00 0.00 175.02 174.29 2kvz s LYS 40 N 4.95 4.63 -0.29 2.03 1.02 -1.26 -5.05 119.74 125.78 2kvz s LYS 40 Ca 0.43 1.41 -0.03 0.00 0.02 0.00 0.00 55.97 57.79 2kvz s LYS 40 Cb -0.02 -2.93 0.03 0.00 -0.52 0.00 0.00 37.83 34.40 2kvz s LYS 40 CO -0.05 0.31 0.01 0.21 -0.92 0.00 0.00 175.35 174.91 2kvz s LYS 41 N -1.82 2.68 0.31 1.68 2.20 -1.26 -5.03 119.74 118.49 2kvz s LYS 41 Ca 0.48 -1.10 -0.29 0.00 -0.36 0.00 0.00 55.97 54.70 2kvz s LYS 41 Cb -0.21 -3.18 -0.10 0.00 -1.51 0.00 0.00 37.83 32.83 2kvz s LYS 41 CO 0.27 -0.53 1.17 0.42 -0.36 0.00 0.00 175.35 176.32 2kvz s ILE 42 N 1.33 3.22 -0.48 5.43 -1.09 -1.26 -4.86 121.20 123.49 2kvz s ILE 42 Ca -0.02 1.21 -0.30 0.00 -2.23 0.00 0.00 60.65 59.31 2kvz s ILE 42 Cb -0.18 -3.76 -0.10 0.00 -1.58 0.00 0.00 42.46 36.83 2kvz s ILE 42 CO -0.01 0.27 2.36 1.17 -1.23 0.00 0.00 174.94 177.51 2kvz n LYS 43 N 0.96 1.02 -0.46 2.79 4.81 -1.26 -0.28 118.16 125.75 2kvz n LYS 43 Ca -0.00 0.17 0.00 0.00 -0.87 0.00 0.00 58.31 57.61 2kvz n LYS 43 Cb 0.44 -2.79 0.00 0.00 0.02 0.00 0.00 35.03 32.70 2kvz n LYS 43 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 2kvz n GLY 44 N 6.23 0.76 3.37 3.14 0.00 -1.26 -5.05 105.19 112.38 2kvz n GLY 44 Ca 0.42 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 46.12 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 -2.12 2.48 0.27 1.61 1.51 0.61 -1.75 117.35 119.96 2kvz s TYR 45 Ca 0.00 -0.34 0.09 0.00 -1.01 0.00 0.00 57.07 55.81 2kvz s TYR 45 Cb 0.00 -1.55 -0.04 0.00 -0.11 0.00 0.00 41.96 40.25 2kvz s TYR 45 CO 0.00 0.04 0.01 0.99 -1.11 0.00 0.00 175.55 175.48 2kvz s THR 46 N -0.64 3.45 -0.12 -0.71 2.01 0.98 -4.26 115.64 116.36 2kvz s THR 46 Ca 0.10 -1.89 -0.29 0.00 0.31 0.00 0.00 61.69 59.92 2kvz s THR 46 Cb -0.10 -2.87 -0.04 0.00 0.01 0.00 0.00 72.50 69.50 2kvz s THR 46 CO -0.00 -0.36 1.53 -0.22 -0.69 0.00 0.00 174.62 174.87 2kvz s LEU 47 N -3.69 4.21 -0.03 4.42 2.96 -1.26 0.48 118.68 125.77 2kvz s LEU 47 Ca 0.32 1.96 -0.23 0.00 -0.22 0.00 0.00 54.13 55.96 2kvz s LEU 47 Cb -0.06 -3.53 -0.17 0.00 0.50 0.00 0.00 46.19 42.93 2kvz s LEU 47 CO 0.20 -0.93 1.03 0.25 -1.32 0.00 0.00 176.35 175.58 2kvz h LEU 48 N 10.32 -0.19 0.00 -0.68 5.85 -1.09 -3.44 115.31 126.07 2kvz h LEU 48 Ca -0.34 -0.34 0.00 0.00 0.84 0.00 0.00 57.88 58.04 2kvz h LEU 48 Cb 1.15 0.05 0.00 0.00 0.37 0.00 0.00 40.66 42.23 2kvz h LEU 48 CO 0.97 0.30 0.00 1.17 -0.34 0.00 0.00 178.44 180.54 2kvz n LYS 49 N -4.96 0.00 -3.40 1.25 4.81 -1.22 -5.01 118.16 109.63 2kvz n LYS 49 Ca -0.08 0.00 -0.39 0.00 -0.87 0.00 0.00 58.31 56.97 2kvz n LYS 49 Cb 0.26 0.00 -0.09 0.00 0.02 0.00 0.00 35.03 35.23 2kvz n LYS 49 CO 0.00 0.00 0.00 0.71 1.17 0.00 0.00 177.40 179.28 2kvz s TYR 50 N -2.00 3.27 -0.25 5.64 2.02 -1.26 -3.41 117.35 121.36 2kvz s TYR 50 Ca 0.00 0.44 0.19 0.00 -0.37 0.00 0.00 57.07 57.33 2kvz s TYR 50 Cb 0.00 -2.55 0.09 0.00 -0.40 0.00 0.00 41.96 39.10 2kvz s TYR 50 CO 0.00 -0.18 1.29 0.22 -1.57 0.00 0.00 175.55 175.31 2kvz h ASP 51 N 8.00 0.00 -4.01 2.29 3.58 -1.87 -3.45 116.42 120.96 2kvz h ASP 51 Ca -0.33 0.00 -0.69 0.00 0.42 0.00 0.00 57.03 56.44 2kvz h ASP 51 Cb 1.16 0.00 -0.23 0.00 1.72 0.00 0.00 39.33 41.98 2kvz h ASP 51 CO 0.66 0.27 -0.87 -0.44 -2.88 0.00 0.00 179.24 175.98 2kvz s SER 52 N -6.03 3.27 -0.16 2.28 0.01 -1.25 -4.87 113.70 106.94 2kvz s SER 52 Ca 0.03 -0.71 -0.26 0.00 1.31 0.00 0.00 55.95 56.32 2kvz s SER 52 Cb 0.07 -0.23 -0.01 0.00 0.21 0.00 0.00 66.02 66.06 2kvz s SER 52 CO 0.75 0.20 0.86 -1.61 0.41 0.00 0.00 173.24 173.84 2kvz s GLU 53 N -1.86 4.32 0.33 12.44 0.41 -1.26 -4.82 118.70 128.26 2kvz s GLU 53 Ca 0.13 1.07 0.23 0.00 -0.41 0.00 0.00 54.97 56.00 2kvz s GLU 53 Cb -0.10 -3.57 0.28 0.00 -1.78 0.00 0.00 34.13 28.97 2kvz s GLU 53 CO 0.05 -0.32 1.44 -0.84 -0.49 0.00 0.00 175.26 175.10 2kvz h ILE 54 N 5.17 0.00 -3.09 -1.63 3.07 -1.99 -3.42 117.51 115.61 2kvz h ILE 54 Ca -0.30 -0.92 -0.56 0.00 1.55 0.00 0.00 64.86 64.63 2kvz h ILE 54 Cb 1.13 1.74 -0.08 0.00 -0.27 0.00 0.00 36.82 39.34 2kvz h ILE 54 CO 0.84 0.00 0.90 -0.22 -1.05 0.00 0.00 178.15 178.62 2kvz s LEU 55 N -5.68 3.56 0.00 0.16 2.96 -1.26 -4.85 118.68 113.57 2kvz s LEU 55 Ca 0.05 -0.06 0.00 0.00 -0.22 0.00 0.00 54.13 53.90 2kvz s LEU 55 Cb 0.08 -3.02 0.00 0.00 0.50 0.00 0.00 46.19 43.74 2kvz s LEU 55 CO 0.70 -1.47 0.00 0.61 -1.32 0.00 0.00 176.35 174.87 2kvz n GLY 56 N 5.11 -0.53 3.36 7.98 0.00 -1.26 -5.14 105.19 114.71 2kvz n GLY 56 Ca 0.06 -0.89 -0.18 0.00 0.00 0.00 0.00 46.02 45.01 2kvz n GLY 56 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2kvz s VAL 57 N -3.00 1.17 0.15 1.61 -7.23 -1.26 -3.41 120.40 108.42 2kvz s VAL 57 Ca 0.00 -2.05 -0.31 0.00 -1.81 0.00 0.00 61.98 57.81 2kvz s VAL 57 Cb 0.00 -2.43 -0.10 0.00 0.56 0.00 0.00 36.38 34.41 2kvz s VAL 57 CO 0.00 -0.27 1.69 -0.36 -0.31 0.00 0.00 175.10 175.85 2kvz s PHE 58 N -3.33 2.68 0.74 2.82 0.08 -0.40 -4.87 117.98 115.70 2kvz s PHE 58 Ca 0.30 0.34 -0.01 0.00 0.12 0.00 0.00 56.93 57.67 2kvz s PHE 58 Cb 0.06 -4.05 0.14 0.00 -0.57 0.00 0.00 43.02 38.59 2kvz s PHE 58 CO 0.10 -4.10 1.02 0.95 -0.10 0.00 0.00 175.22 173.10 2kvz s THR 59 N 1.82 2.07 0.08 0.64 -4.23 -1.26 -1.81 115.64 112.94 2kvz s THR 59 Ca 0.75 -0.59 -0.02 0.00 -1.18 0.00 0.00 61.69 60.65 2kvz s THR 59 Cb -0.45 -2.48 -0.27 0.00 1.34 0.00 0.00 72.50 70.64 2kvz s THR 59 CO 0.33 0.00 1.13 -0.08 -0.54 0.00 0.00 174.62 175.46 2kvz h GLU 60 N -0.60 0.21 -5.89 3.99 4.81 -1.94 -3.43 114.58 111.73 2kvz h GLU 60 Ca -0.35 -0.36 -0.62 0.00 -0.13 0.00 0.00 59.36 57.89 2kvz h GLU 60 Cb 1.26 0.13 -0.04 0.00 0.63 0.00 0.00 28.75 30.73 2kvz h GLU 60 CO 0.38 1.15 -0.48 -1.12 -0.73 0.00 0.00 179.01 178.21 2kvz s SER 61 N -7.02 6.38 -0.37 1.04 0.01 -1.26 -4.04 113.70 108.43 2kvz s SER 61 Ca -0.03 0.32 -0.34 0.00 1.31 0.00 0.00 55.95 57.21 2kvz s SER 61 Cb 0.08 -1.99 -0.11 0.00 0.21 0.00 0.00 66.02 64.21 2kvz s SER 61 CO 0.87 0.20 2.23 -0.81 0.41 0.00 0.00 173.24 176.13 2kvz n PRO 62 N 0.52 1.09 -3.15 12.44 -0.04 -1.23 -4.74 135.00 139.90 2kvz n PRO 62 Ca -0.07 0.28 -0.33 0.00 -0.04 0.00 0.00 63.50 63.33 2kvz n PRO 62 Cb 0.52 -2.54 -0.06 0.00 -0.04 0.00 0.00 33.50 31.38 2kvz n PRO 62 CO 0.00 0.00 0.00 -1.14 -0.04 0.00 0.00 175.50 174.32 2kvz s GLN 63 N 6.46 4.06 -0.13 0.54 0.74 -1.14 -4.90 119.66 125.29 2kvz s GLN 63 Ca 1.09 0.69 0.02 0.00 0.05 0.00 0.00 55.36 57.22 2kvz s GLN 63 Cb -0.80 -2.58 0.00 0.00 1.10 0.00 0.00 33.01 30.73 2kvz s GLN 63 CO 0.47 0.24 -0.20 0.99 -0.55 0.00 0.00 175.29 176.24 2kvz s THR 64 N -1.83 2.35 -0.39 -0.34 2.01 -1.26 0.76 115.64 116.92 2kvz s THR 64 Ca 0.50 -0.90 -0.09 0.00 0.31 0.00 0.00 61.69 61.52 2kvz s THR 64 Cb -0.12 -1.95 0.06 0.00 0.01 0.00 0.00 72.50 70.51 2kvz s THR 64 CO 0.19 0.54 0.21 -0.63 -0.69 0.00 0.00 174.62 174.24 2kvz s ILE 65 N 0.59 4.15 -0.62 1.82 1.01 0.83 -4.79 121.20 124.19 2kvz s ILE 65 Ca -0.11 -1.28 -0.22 0.00 0.00 0.00 0.00 60.65 59.04 2kvz s ILE 65 Cb -0.16 -3.47 0.07 0.00 0.01 0.00 0.00 42.46 38.90 2kvz s ILE 65 CO 0.03 -0.40 0.90 0.20 0.00 0.00 0.00 174.94 175.67 2kvz s ASN 66 N 1.86 6.21 -0.48 3.58 0.01 -1.26 -0.23 114.94 124.63 2kvz s ASN 66 Ca 0.02 -0.91 -0.16 0.00 -0.71 0.00 0.00 52.86 51.10 2kvz s ASN 66 Cb -0.22 -2.40 0.07 0.00 0.41 0.00 0.00 41.25 39.12 2kvz s ASN 66 CO 0.03 -1.31 0.44 -0.63 -1.51 0.00 0.00 177.10 174.11 2kvz s ILE 67 N 3.75 5.16 -0.18 0.60 1.01 0.40 -2.31 121.20 129.64 2kvz s ILE 67 Ca 0.22 -0.94 -0.09 0.00 0.00 0.00 0.00 60.65 59.84 2kvz s ILE 67 Cb -0.17 -4.16 -0.05 0.00 0.01 0.00 0.00 42.46 38.10 2kvz s ILE 67 CO 0.12 -0.62 0.12 -0.63 0.00 0.00 0.00 174.94 173.93 2kvz s ILE 68 N 1.84 5.32 0.20 2.92 1.01 -1.22 0.43 121.20 131.69 2kvz s ILE 68 Ca 0.06 0.15 0.04 0.00 0.00 0.00 0.00 60.65 60.91 2kvz s ILE 68 Cb -0.23 -3.39 -0.03 0.00 0.01 0.00 0.00 42.46 38.81 2kvz s ILE 68 CO 0.08 0.49 0.28 -0.31 0.00 0.00 0.00 174.94 175.47 2kvz s TYR 69 N 0.03 3.37 -0.03 3.97 1.51 0.37 -0.58 117.35 125.99 2kvz s TYR 69 Ca 0.09 0.02 0.03 0.00 -1.01 0.00 0.00 57.07 56.20 2kvz s TYR 69 Cb -0.11 -1.57 -0.00 0.00 -0.11 0.00 0.00 41.96 40.16 2kvz s TYR 69 CO -0.00 0.49 -0.13 -1.14 -1.11 0.00 0.00 175.55 173.66 2kvz s GLN 70 N -3.57 1.30 0.17 -0.62 0.74 0.18 -4.11 119.66 113.75 2kvz s GLN 70 Ca 0.34 -0.45 -0.30 0.00 0.05 0.00 0.00 55.36 54.99 2kvz s GLN 70 Cb -0.10 -1.18 -0.08 0.00 1.10 0.00 0.00 33.01 32.76 2kvz s GLN 70 CO 0.27 0.19 1.10 0.21 -0.55 0.00 0.00 175.29 176.52 2kvz s LYS 71 N 0.05 4.59 0.31 1.67 2.20 -1.26 -0.01 119.74 127.28 2kvz s LYS 71 Ca -0.02 1.72 0.07 0.00 -0.36 0.00 0.00 55.97 57.38 2kvz s LYS 71 Cb -0.09 -3.28 0.50 0.00 -1.51 0.00 0.00 37.83 33.45 2kvz s LYS 71 CO 0.01 0.07 1.73 0.87 -0.36 0.00 0.00 175.35 177.66 2kvz h LYS 72 N 5.15 0.23 -7.31 4.03 1.57 -1.71 -3.45 116.57 115.08 2kvz h LYS 72 Ca -0.44 -0.10 -0.48 0.00 -1.87 0.00 0.00 60.65 57.76 2kvz h LYS 72 Cb 1.21 -0.01 0.16 0.00 0.08 0.00 0.00 32.23 33.68 2kvz h LYS 72 CO 0.73 0.58 0.21 0.00 -0.57 0.00 0.00 179.45 180.40 2kvz s ALA 73 N -4.22 1.21 1.18 3.86 0.00 -1.26 -5.01 121.76 117.52 2kvz s ALA 73 Ca -0.05 -0.05 -0.16 0.00 0.00 0.00 0.00 51.96 51.71 2kvz s ALA 73 Cb 0.14 -3.21 0.23 0.00 0.00 0.00 0.00 23.12 20.27 2kvz s ALA 73 CO 0.77 -2.63 0.58 -0.35 0.00 0.00 0.00 175.76 174.13 2kvz n PRO 74 N -4.08 -2.29 -0.08 0.00 -0.04 -1.26 -4.92 135.00 122.34 2kvz n PRO 74 Ca 0.07 -0.65 -0.07 0.00 -0.04 0.00 0.00 63.50 62.81 2kvz n PRO 74 Cb 0.55 -1.96 0.00 0.00 -0.04 0.00 0.00 33.50 32.05 2kvz n PRO 74 CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 2kvz h GLU 75 N -2.51 0.13 0.00 0.54 5.08 -1.94 -3.43 114.58 112.45 2kvz h GLU 75 Ca -0.60 -0.01 -0.23 0.00 -1.00 0.00 0.00 59.36 57.53 2kvz h GLU 75 Cb 1.35 -0.03 0.02 0.00 0.50 0.00 0.00 28.75 30.59 2kvz h GLU 75 CO 0.45 0.09 -0.01 1.04 -1.00 0.00 0.00 179.01 179.58 2kvz n GLN 76 N -5.12 0.67 0.10 2.33 6.02 -1.26 -4.98 117.38 115.14 2kvz n GLN 76 Ca -0.00 -1.45 0.12 0.00 -0.01 0.00 0.00 57.00 55.66 2kvz n GLN 76 Cb 0.14 -0.17 0.45 0.00 1.02 0.00 0.00 30.24 31.68 2kvz n GLN 76 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 2kvz n ALA 77 N -2.75 1.97 -2.38 -1.58 0.00 -1.26 -4.71 120.51 109.80 2kvz n ALA 77 Ca -0.07 0.02 -0.32 0.00 0.00 0.00 0.00 53.44 53.07 2kvz n ALA 77 Cb 0.29 -1.42 -0.15 0.00 0.00 0.00 0.00 19.45 18.17 2kvz n ALA 77 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 2kvz s LEU 78 N -4.27 2.32 0.38 0.00 1.43 -1.26 -4.99 118.68 112.29 2kvz s LEU 78 Ca 0.08 -0.36 -0.26 0.00 -1.03 0.00 0.00 54.13 52.56 2kvz s LEU 78 Cb 0.11 -1.42 -0.09 0.00 0.03 0.00 0.00 46.19 44.82 2kvz s LEU 78 CO 0.48 0.33 1.18 -0.70 0.23 0.00 0.00 176.35 177.86 2kvz s GLU 79 N -0.66 4.16 0.41 1.70 -6.30 -1.26 -4.73 118.70 112.01 2kvz s GLU 79 Ca 0.11 1.88 0.08 0.00 -2.50 0.00 0.00 54.97 54.53 2kvz s GLU 79 Cb -0.10 -2.78 0.87 0.00 0.00 0.00 0.00 34.13 32.12 2kvz s GLU 79 CO -0.00 -0.24 2.04 1.25 0.02 0.00 0.00 175.26 178.32 2kvz h HIS 80 N 2.85 0.53 -2.59 5.30 -0.00 -1.99 -3.33 115.15 115.92 2kvz h HIS 80 Ca -0.49 0.01 -0.56 0.00 -0.00 0.00 0.00 60.37 59.34 2kvz h HIS 80 Cb 1.23 -0.18 -0.09 0.00 -0.00 0.00 0.00 27.41 28.37 2kvz h HIS 80 CO 0.56 0.32 0.96 -1.01 -0.00 0.00 0.00 177.93 178.76 2kvz s HIS 81 N -5.50 2.41 -0.73 5.26 3.76 -1.26 -4.96 115.29 114.26 2kvz s HIS 81 Ca -0.08 -0.01 -0.27 0.00 -0.15 0.00 0.00 55.06 54.54 2kvz s HIS 81 Cb 0.18 -4.55 0.03 0.00 1.11 0.00 0.00 32.58 29.35 2kvz s HIS 81 CO 0.74 -1.91 1.33 -1.01 -0.85 0.00 0.00 174.74 173.04 2kvz s HIS 82 N 5.32 2.23 -0.52 1.40 3.76 -1.25 -4.92 115.29 121.32 2kvz s HIS 82 Ca 0.35 0.01 -0.26 0.00 -0.15 0.00 0.00 55.06 55.01 2kvz s HIS 82 Cb -0.09 -4.59 -0.06 0.00 1.11 0.00 0.00 32.58 28.96 2kvz s HIS 82 CO 0.17 -2.10 2.25 -3.38 -0.85 0.00 0.00 174.74 170.83 2kvz s HIS 83 N 6.00 1.24 0.00 1.40 -3.43 -1.26 -3.04 115.29 116.19 2kvz s HIS 83 Ca 0.38 1.33 0.00 0.00 -0.80 0.00 0.00 55.06 55.97 2kvz s HIS 83 Cb -0.08 -3.73 0.00 0.00 -1.43 0.00 0.00 32.58 27.34 2kvz s HIS 83 CO 0.15 -2.51 0.00 1.58 -2.00 0.00 0.00 174.74 171.96 2kvz n HIS 84 N 14.94 0.00 1.10 0.38 -0.00 -1.26 -5.26 115.22 125.12 2kvz n HIS 84 Ca 0.32 0.00 0.12 0.00 0.46 0.00 0.00 57.72 58.62 2kvz n HIS 84 Cb 0.54 0.00 0.18 0.00 -0.12 0.00 0.00 29.99 30.59 2kvz n HIS 84 CO 0.00 0.00 0.00 0.72 0.46 0.00 0.00 176.34 177.52