#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 6.87 -1.01 7.83 -4.77 -1.26 -4.95 116.67 119.38 2kvz s ASP 2 Ca 0.00 1.08 -0.08 0.00 -3.30 0.00 0.00 52.55 50.25 2kvz s ASP 2 Cb 0.00 -2.45 -0.14 0.00 -1.09 0.00 0.00 42.92 39.24 2kvz s ASP 2 CO 0.00 -0.50 3.07 2.22 0.70 0.00 0.00 175.17 180.66 2kvz n PHE 3 N 5.87 1.51 -1.89 2.11 -1.74 -1.26 -4.90 117.46 117.16 2kvz n PHE 3 Ca 0.06 -2.43 -0.30 0.00 -0.56 0.00 0.00 57.45 54.22 2kvz n PHE 3 Cb 0.48 -2.10 0.07 0.00 1.52 0.00 0.00 39.48 39.44 2kvz n PHE 3 CO 0.00 0.00 0.00 0.20 -0.56 0.00 0.00 176.76 176.40 2kvz s GLY 4 N 2.23 1.61 -0.25 4.97 0.00 -1.26 -5.05 107.32 109.56 2kvz s GLY 4 Ca 0.65 -0.50 -0.09 0.00 0.00 0.00 0.00 44.72 44.78 2kvz s GLY 4 CO -0.04 -0.07 0.13 0.54 0.00 0.00 0.00 173.10 173.67 2kvz s LYS 5 N -5.47 3.88 -0.63 2.90 1.02 -1.26 -5.04 119.74 115.14 2kvz s LYS 5 Ca 0.60 -0.36 -0.27 0.00 0.02 0.00 0.00 55.97 55.96 2kvz s LYS 5 Cb -0.11 -3.49 -0.01 0.00 -0.52 0.00 0.00 37.83 33.70 2kvz s LYS 5 CO 0.50 -0.10 1.71 -1.25 -0.92 0.00 0.00 175.35 175.30 2kvz s PRO 6 N 1.46 2.80 -0.42 -1.68 0.04 -1.26 -4.95 135.00 130.98 2kvz s PRO 6 Ca 0.06 0.43 -0.28 0.00 0.04 0.00 0.00 61.00 61.25 2kvz s PRO 6 Cb -0.15 -4.33 0.00 0.00 0.04 0.00 0.00 34.50 30.07 2kvz s PRO 6 CO 0.07 -2.55 1.54 -0.80 0.04 0.00 0.00 177.00 175.30 2kvz s ASN 7 N 6.91 6.14 -0.05 6.66 0.01 -1.26 -4.98 114.94 128.37 2kvz s ASN 7 Ca 0.60 0.86 0.06 0.00 -0.71 0.00 0.00 52.86 53.66 2kvz s ASN 7 Cb -0.12 -2.54 -0.01 0.00 0.41 0.00 0.00 41.25 39.00 2kvz s ASN 7 CO 0.20 -1.59 -0.23 0.00 -1.51 0.00 0.00 177.10 173.96 2kvz s GLN 8 N 5.31 2.26 -0.18 -0.60 -2.07 -1.26 -2.98 119.66 120.15 2kvz s GLN 8 Ca 0.65 -0.84 -0.11 0.00 -1.82 0.00 0.00 55.36 53.24 2kvz s GLN 8 Cb -0.15 -1.98 -0.05 0.00 -1.09 0.00 0.00 33.01 29.73 2kvz s GLN 8 CO 0.31 0.39 0.20 0.08 -1.32 0.00 0.00 175.29 174.95 2kvz s VAL 9 N -0.23 5.37 -0.54 3.63 1.01 0.15 -4.29 120.40 125.51 2kvz s VAL 9 Ca -0.00 0.34 -0.20 0.00 0.00 0.00 0.00 61.98 62.11 2kvz s VAL 9 Cb -0.12 -3.53 0.06 0.00 0.00 0.00 0.00 36.38 32.79 2kvz s VAL 9 CO 0.02 0.44 0.73 -0.89 0.00 0.00 0.00 175.10 175.40 2kvz s THR 10 N 0.27 4.72 -0.16 3.92 2.01 0.39 -0.41 115.64 126.38 2kvz s THR 10 Ca 0.12 -0.38 -0.14 0.00 0.31 0.00 0.00 61.69 61.61 2kvz s THR 10 Cb -0.12 -4.40 -0.05 0.00 0.01 0.00 0.00 72.50 67.94 2kvz s THR 10 CO 0.01 -0.96 0.29 -0.69 -0.69 0.00 0.00 174.62 172.58 2kvz s VAL 11 N 3.02 5.31 -0.07 3.82 1.01 0.56 -0.00 120.40 134.05 2kvz s VAL 11 Ca 0.18 0.54 0.03 0.00 0.00 0.00 0.00 61.98 62.74 2kvz s VAL 11 Cb -0.18 -3.63 0.01 0.00 0.00 0.00 0.00 36.38 32.57 2kvz s VAL 11 CO 0.13 0.39 -0.16 0.21 0.00 0.00 0.00 175.10 175.67 2kvz s ASN 12 N 0.48 2.15 -0.44 3.32 3.84 0.94 0.14 114.94 125.37 2kvz s ASN 12 Ca 0.16 -0.37 -0.19 0.00 0.21 0.00 0.00 52.86 52.68 2kvz s ASN 12 Cb -0.13 -0.91 0.03 0.00 -0.55 0.00 0.00 41.25 39.69 2kvz s ASN 12 CO 0.04 0.09 0.53 -0.31 -2.79 0.00 0.00 177.10 174.66 2kvz s TYR 13 N 0.46 3.12 -0.06 0.43 1.51 -1.26 -0.33 117.35 121.21 2kvz s TYR 13 Ca -0.13 -0.33 -0.02 0.00 -1.01 0.00 0.00 57.07 55.57 2kvz s TYR 13 Cb -0.15 -3.16 -0.04 0.00 -0.11 0.00 0.00 41.96 38.50 2kvz s TYR 13 CO 0.05 -0.82 0.05 -0.51 -1.11 0.00 0.00 175.55 173.20 2kvz s LEU 14 N 2.42 3.80 -0.81 -1.29 1.43 0.12 -2.16 118.68 122.18 2kvz s LEU 14 Ca 0.15 0.19 -0.11 0.00 -1.03 0.00 0.00 54.13 53.33 2kvz s LEU 14 Cb -0.17 -2.00 0.21 0.00 0.03 0.00 0.00 46.19 44.26 2kvz s LEU 14 CO 0.15 0.35 0.72 -0.62 0.23 0.00 0.00 176.35 177.18 2kvz s ASP 15 N -1.20 6.48 0.00 2.29 2.15 0.96 0.48 116.67 127.84 2kvz s ASP 15 Ca 0.17 -2.79 0.00 0.00 0.43 0.00 0.00 52.55 50.35 2kvz s ASP 15 Cb -0.12 -2.14 0.00 0.00 -0.30 0.00 0.00 42.92 40.37 2kvz s ASP 15 CO 0.06 -0.51 0.00 1.21 -0.17 0.00 0.00 175.17 175.76 2kvz n GLU 16 N 3.78 0.00 -0.16 4.34 2.13 0.52 -3.52 120.64 127.73 2kvz n GLU 16 Ca 0.13 0.00 0.01 0.00 0.66 0.00 0.00 57.16 57.96 2kvz n GLU 16 Cb 0.45 0.00 0.06 0.00 0.27 0.00 0.00 31.44 32.22 2kvz n GLU 16 CO 0.00 0.00 0.00 0.27 -0.41 0.00 0.00 177.13 176.99 2kvz n ASN 17 N 1.35 1.94 -0.50 4.31 6.94 -1.26 -4.74 115.26 123.30 2kvz n ASN 17 Ca 0.00 -2.17 -0.06 0.00 -0.02 0.00 0.00 54.58 52.33 2kvz n ASN 17 Cb 0.00 -0.53 -0.02 0.00 -2.36 0.00 0.00 39.78 36.86 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 0.12 -3.53 -4.63 0.53 3.02 -1.24 -4.98 115.26 104.55 2kvz n ASN 18 Ca 0.05 0.13 -0.43 0.00 -0.03 0.00 0.00 54.58 54.30 2kvz n ASN 18 Cb 0.44 -1.77 -0.03 0.00 -0.61 0.00 0.00 39.78 37.81 2kvz n ASN 18 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 2kvz s THR 19 N -2.24 3.55 -0.87 3.41 2.01 -1.23 -4.73 115.64 115.54 2kvz s THR 19 Ca 0.00 0.63 -0.25 0.00 0.31 0.00 0.00 61.69 62.38 2kvz s THR 19 Cb 0.00 -3.54 -0.00 0.00 0.01 0.00 0.00 72.50 68.96 2kvz s THR 19 CO 0.00 -0.21 1.69 -0.44 -0.69 0.00 0.00 174.62 174.97 2kvz s SER 20 N 4.54 5.72 0.10 3.53 0.01 -1.26 -0.03 113.70 126.31 2kvz s SER 20 Ca 0.76 -0.73 0.14 0.00 1.31 0.00 0.00 55.95 57.44 2kvz s SER 20 Cb -0.28 -2.56 -0.11 0.00 0.21 0.00 0.00 66.02 63.27 2kvz s SER 20 CO 0.31 -2.18 1.01 -0.29 0.41 0.00 0.00 173.24 172.49 2kvz h ILE 21 N 6.90 0.81 -3.57 1.44 2.10 -1.79 -3.46 117.51 119.94 2kvz h ILE 21 Ca 0.02 -2.36 -0.67 0.00 1.08 0.00 0.00 64.86 62.94 2kvz h ILE 21 Cb 1.04 2.30 -0.17 0.00 -1.09 0.00 0.00 36.82 38.90 2kvz h ILE 21 CO 1.29 0.46 -0.77 0.00 -1.08 0.00 0.00 178.15 178.05 2kvz s ALA 22 N -2.85 2.82 0.35 0.18 0.00 -1.23 -5.09 121.76 115.95 2kvz s ALA 22 Ca -0.01 -1.32 -0.28 0.00 0.00 0.00 0.00 51.96 50.34 2kvz s ALA 22 Cb 0.08 -0.76 -0.11 0.00 0.00 0.00 0.00 23.12 22.34 2kvz s ALA 22 CO 0.80 0.60 1.42 -2.14 0.00 0.00 0.00 175.76 176.44 2kvz s PRO 23 N -2.25 4.21 -0.20 0.00 0.02 -1.26 -4.45 135.00 131.07 2kvz s PRO 23 Ca 0.20 2.43 -0.37 0.00 0.02 0.00 0.00 61.00 63.28 2kvz s PRO 23 Cb -0.11 -3.02 -0.14 0.00 0.02 0.00 0.00 34.50 31.26 2kvz s PRO 23 CO 0.12 -0.41 1.83 -1.13 -0.33 0.00 0.00 177.00 177.08 2kvz n SER 24 N 0.77 2.88 -4.54 2.53 3.41 -1.26 -4.82 113.62 112.60 2kvz n SER 24 Ca 0.01 1.00 -0.43 0.00 -0.26 0.00 0.00 58.87 59.20 2kvz n SER 24 Cb 0.40 -1.25 -0.06 0.00 -0.26 0.00 0.00 64.21 63.04 2kvz n SER 24 CO 0.00 0.00 0.00 -0.22 -0.16 0.00 0.00 175.04 174.66 2kvz s LEU 25 N 3.97 4.31 -0.73 1.04 2.96 0.12 -4.91 118.68 125.44 2kvz s LEU 25 Ca 0.96 -0.16 -0.23 0.00 -0.22 0.00 0.00 54.13 54.48 2kvz s LEU 25 Cb -0.89 -2.91 0.07 0.00 0.50 0.00 0.00 46.19 42.96 2kvz s LEU 25 CO 0.59 -0.89 1.07 -0.31 -1.32 0.00 0.00 176.35 175.48 2kvz s TYR 26 N 3.20 2.65 -0.42 5.38 2.02 -1.26 -0.32 117.35 128.60 2kvz s TYR 26 Ca 0.28 -0.59 -0.24 0.00 -0.37 0.00 0.00 57.07 56.15 2kvz s TYR 26 Cb -0.12 -4.37 0.02 0.00 -0.40 0.00 0.00 41.96 37.08 2kvz s TYR 26 CO 0.22 -1.72 0.84 -1.17 -1.57 0.00 0.00 175.55 172.15 2kvz s LEU 27 N 4.23 4.12 0.08 -1.29 2.96 0.46 -4.86 118.68 124.37 2kvz s LEU 27 Ca 0.27 0.16 0.04 0.00 -0.22 0.00 0.00 54.13 54.38 2kvz s LEU 27 Cb -0.13 -3.08 -0.04 0.00 0.50 0.00 0.00 46.19 43.44 2kvz s LEU 27 CO 0.07 -0.90 0.01 -0.55 -1.32 0.00 0.00 176.35 173.67 2kvz s SER 28 N 2.06 5.11 0.04 3.68 0.15 -1.26 0.32 113.70 123.80 2kvz s SER 28 Ca 0.33 -0.14 -0.05 0.00 0.70 0.00 0.00 55.95 56.79 2kvz s SER 28 Cb -0.12 -1.25 0.02 0.00 -1.71 0.00 0.00 66.02 62.96 2kvz s SER 28 CO 0.22 0.18 0.24 0.61 1.20 0.00 0.00 173.24 175.68 2kvz n GLY 29 N 0.60 1.17 3.90 9.45 0.00 -1.16 -5.02 105.19 114.13 2kvz n GLY 29 Ca -0.11 -0.98 -0.28 0.00 0.00 0.00 0.00 46.02 44.65 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 3.02 0.23 0.99 1.43 -1.26 -4.38 118.68 118.71 2kvz s LEU 30 Ca 0.05 0.90 -0.30 0.00 -1.03 0.00 0.00 54.13 53.76 2kvz s LEU 30 Cb -0.01 -3.69 -0.09 0.00 0.03 0.00 0.00 46.19 42.43 2kvz s LEU 30 CO 0.01 -1.26 1.33 0.12 0.23 0.00 0.00 176.35 176.78 2kvz s PHE 31 N -3.21 3.18 -0.10 0.29 5.36 -1.26 -2.23 117.98 120.01 2kvz s PHE 31 Ca 0.57 1.22 0.00 0.00 -0.96 0.00 0.00 56.93 57.76 2kvz s PHE 31 Cb -0.11 -3.65 0.00 0.00 -0.34 0.00 0.00 43.02 38.92 2kvz s PHE 31 CO 0.48 -2.01 0.00 -1.71 -1.46 0.00 0.00 175.22 170.52 2kvz n ASN 32 N 2.25 -4.39 -4.68 6.13 5.15 0.40 -4.93 115.26 115.19 2kvz n ASN 32 Ca 0.05 0.02 -0.42 0.00 -0.60 0.00 0.00 54.58 53.63 2kvz n ASN 32 Cb 0.42 -1.98 -0.03 0.00 -0.53 0.00 0.00 39.78 37.66 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 -1.13 4.39 -0.45 1.20 2.12 -0.95 -4.65 118.70 119.24 2kvz s GLU 33 Ca 0.00 1.29 -0.29 0.00 0.36 0.00 0.00 54.97 56.33 2kvz s GLU 33 Cb 0.00 -3.55 0.02 0.00 0.26 0.00 0.00 34.13 30.86 2kvz s GLU 33 CO 0.00 -0.31 1.29 0.00 -0.54 0.00 0.00 175.26 175.70 2kvz s ALA 34 N 2.01 3.08 0.39 6.30 0.00 -1.26 -0.89 121.76 131.38 2kvz s ALA 34 Ca 0.46 -0.34 -0.03 0.00 0.00 0.00 0.00 51.96 52.05 2kvz s ALA 34 Cb -0.18 -3.93 -0.04 0.00 0.00 0.00 0.00 23.12 18.97 2kvz s ALA 34 CO 0.17 -2.37 0.64 1.52 0.00 0.00 0.00 175.76 175.71 2kvz s TYR 35 N 5.02 3.52 -0.19 0.00 -0.85 -0.90 -5.00 117.35 118.96 2kvz s TYR 35 Ca 0.55 0.57 -0.07 0.00 -0.52 0.00 0.00 57.07 57.60 2kvz s TYR 35 Cb -0.10 -2.08 -0.04 0.00 0.38 0.00 0.00 41.96 40.12 2kvz s TYR 35 CO 0.32 -0.02 0.05 -0.80 -1.52 0.00 0.00 175.55 173.58 2kvz s ASN 36 N -3.92 5.42 -0.32 -0.18 0.01 -1.26 -4.34 114.94 110.34 2kvz s ASN 36 Ca 0.43 0.01 -0.22 0.00 -0.71 0.00 0.00 52.86 52.37 2kvz s ASN 36 Cb -0.10 -1.93 -0.00 0.00 0.41 0.00 0.00 41.25 39.63 2kvz s ASN 36 CO 0.38 0.15 0.71 -0.69 -1.51 0.00 0.00 177.10 176.13 2kvz s VAL 37 N 0.54 4.85 -0.67 1.60 1.01 -1.26 -5.01 120.40 121.46 2kvz s VAL 37 Ca 0.02 0.93 -0.27 0.00 0.00 0.00 0.00 61.98 62.66 2kvz s VAL 37 Cb -0.13 -4.09 0.02 0.00 0.00 0.00 0.00 36.38 32.18 2kvz s VAL 37 CO 0.01 -0.25 1.33 -2.84 0.00 0.00 0.00 175.10 173.36 2kvz s PRO 38 N 2.82 3.23 -0.47 2.72 0.02 -1.26 -4.98 135.00 137.07 2kvz s PRO 38 Ca 0.28 0.04 -0.21 0.00 0.02 0.00 0.00 61.00 61.13 2kvz s PRO 38 Cb -0.14 -4.15 0.03 0.00 0.02 0.00 0.00 34.50 30.26 2kvz s PRO 38 CO 0.13 -2.07 0.70 -1.64 -0.33 0.00 0.00 177.00 173.80 2kvz s MET 39 N 5.65 3.27 -0.01 5.54 -1.94 -1.26 -5.04 119.30 125.50 2kvz s MET 39 Ca 0.42 -0.43 -0.19 0.00 -1.71 0.00 0.00 55.69 53.77 2kvz s MET 39 Cb -0.09 -4.00 -0.05 0.00 2.01 0.00 0.00 34.83 32.70 2kvz s MET 39 CO 0.19 -1.14 0.55 0.15 -0.01 0.00 0.00 175.02 174.76 2kvz s LYS 40 N 3.01 4.26 -0.89 2.03 1.02 -1.26 -5.01 119.74 122.90 2kvz s LYS 40 Ca 0.23 0.65 -0.19 0.00 0.02 0.00 0.00 55.97 56.68 2kvz s LYS 40 Cb -0.15 -3.33 0.12 0.00 -0.52 0.00 0.00 37.83 33.95 2kvz s LYS 40 CO 0.18 0.40 1.12 0.21 -0.92 0.00 0.00 175.35 176.34 2kvz s LYS 41 N -0.26 3.52 -0.28 1.68 2.20 -1.26 -4.99 119.74 120.35 2kvz s LYS 41 Ca 0.29 -1.59 -0.29 0.00 -0.36 0.00 0.00 55.97 54.02 2kvz s LYS 41 Cb -0.18 -4.84 0.01 0.00 -1.51 0.00 0.00 37.83 31.32 2kvz s LYS 41 CO 0.16 -1.80 1.10 0.42 -0.36 0.00 0.00 175.35 174.86 2kvz s ILE 42 N 3.00 4.51 -1.53 5.43 1.01 -1.26 -3.41 121.20 128.95 2kvz s ILE 42 Ca 0.32 1.77 0.00 0.00 0.00 0.00 0.00 60.65 62.74 2kvz s ILE 42 Cb -0.06 -4.34 0.00 0.00 0.01 0.00 0.00 42.46 38.06 2kvz s ILE 42 CO -0.07 -0.37 0.00 0.29 0.00 0.00 0.00 174.94 174.79 2kvz n LYS 43 N 6.74 -1.76 -1.00 2.79 5.02 -1.26 -0.66 118.16 128.03 2kvz n LYS 43 Ca 0.12 0.86 -0.00 0.00 -2.02 0.00 0.00 58.31 57.27 2kvz n LYS 43 Cb 0.47 -5.38 -0.00 0.00 -0.02 0.00 0.00 35.03 30.10 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 -0.70 0.45 3.61 0.72 0.00 -1.22 -5.01 105.19 103.05 2kvz n GLY 44 Ca -0.18 -0.01 -0.32 0.00 0.00 0.00 0.00 46.02 45.50 2kvz n GLY 44 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 2kvz n TYR 45 N -2.90 0.40 -4.23 1.61 4.01 0.16 -4.89 117.16 111.32 2kvz n TYR 45 Ca -0.00 0.36 -0.32 0.00 -0.16 0.00 0.00 57.90 57.78 2kvz n TYR 45 Cb 0.05 -1.97 -0.08 0.00 -0.31 0.00 0.00 39.34 37.02 2kvz n TYR 45 CO 0.00 0.00 0.00 0.99 -0.46 0.00 0.00 176.86 177.39 2kvz s THR 46 N -2.47 4.27 -0.28 -0.72 2.01 -0.71 -4.64 115.64 113.10 2kvz s THR 46 Ca 0.66 -0.58 -0.29 0.00 0.31 0.00 0.00 61.69 61.79 2kvz s THR 46 Cb -0.24 -2.93 -0.02 0.00 0.01 0.00 0.00 72.50 69.33 2kvz s THR 46 CO 0.59 0.36 1.58 -0.22 -0.69 0.00 0.00 174.62 176.23 2kvz s LEU 47 N -1.64 3.77 0.06 4.42 2.96 -1.26 0.95 118.68 127.94 2kvz s LEU 47 Ca 0.21 1.38 -0.34 0.00 -0.22 0.00 0.00 54.13 55.16 2kvz s LEU 47 Cb -0.12 -3.53 -0.19 0.00 0.50 0.00 0.00 46.19 42.85 2kvz s LEU 47 CO 0.11 -1.35 1.55 0.25 -1.32 0.00 0.00 176.35 175.60 2kvz h LEU 48 N 12.04 -0.88 -6.67 -0.68 5.85 -1.59 -3.45 115.31 119.92 2kvz h LEU 48 Ca -0.32 0.02 0.18 0.00 0.84 0.00 0.00 57.88 58.60 2kvz h LEU 48 Cb 1.14 0.23 -0.27 0.00 0.37 0.00 0.00 40.66 42.12 2kvz h LEU 48 CO 1.02 -0.60 0.43 -0.75 -0.34 0.00 0.00 178.44 178.20 2kvz s LYS 49 N -5.87 0.22 -0.81 1.25 2.20 -1.21 -5.02 119.74 110.51 2kvz s LYS 49 Ca -0.18 0.47 -0.21 0.00 -0.36 0.00 0.00 55.97 55.69 2kvz s LYS 49 Cb 0.03 0.18 0.10 0.00 -1.51 0.00 0.00 37.83 36.62 2kvz s LYS 49 CO 0.60 -0.06 1.08 -0.47 -0.36 0.00 0.00 175.35 176.13 2kvz s TYR 50 N 1.78 2.86 -0.79 4.03 5.04 -1.26 -4.33 117.35 124.68 2kvz s TYR 50 Ca -0.05 -0.95 0.24 0.00 -2.44 0.00 0.00 57.07 53.88 2kvz s TYR 50 Cb -0.04 -4.33 0.39 0.00 0.35 0.00 0.00 41.96 38.34 2kvz s TYR 50 CO -0.15 -1.61 1.34 -3.47 -1.34 0.00 0.00 175.55 170.32 2kvz n ASP 51 N 7.30 0.59 -2.58 4.32 2.03 -1.26 -4.91 116.55 122.05 2kvz n ASP 51 Ca 0.12 -0.05 -0.06 0.00 0.52 0.00 0.00 54.79 55.31 2kvz n ASP 51 Cb 0.48 0.25 0.04 0.00 -0.72 0.00 0.00 41.12 41.16 2kvz n ASP 51 CO 0.00 0.00 0.00 -1.54 -1.92 0.00 0.00 177.20 173.74 2kvz n SER 52 N -1.84 0.23 -4.51 1.67 3.41 -1.26 -5.10 113.62 106.22 2kvz n SER 52 Ca 0.04 -1.23 -0.27 0.00 -0.26 0.00 0.00 58.87 57.16 2kvz n SER 52 Cb 0.40 -0.19 -0.10 0.00 -0.26 0.00 0.00 64.21 64.05 2kvz n SER 52 CO 0.00 0.00 0.00 -0.70 -0.16 0.00 0.00 175.04 174.18 2kvz s GLU 53 N -3.30 1.82 0.29 4.33 2.12 -1.26 -5.10 118.70 117.61 2kvz s GLU 53 Ca 0.17 -1.37 0.02 0.00 0.36 0.00 0.00 54.97 54.16 2kvz s GLU 53 Cb -0.01 -2.03 -0.05 0.00 0.26 0.00 0.00 34.13 32.30 2kvz s GLU 53 CO 0.12 0.42 0.09 0.96 -0.54 0.00 0.00 175.26 176.31 2kvz s ILE 54 N -1.67 0.73 -1.70 -3.70 -4.36 -1.26 -4.85 121.20 104.40 2kvz s ILE 54 Ca 0.23 -2.00 0.00 0.00 -0.26 0.00 0.00 60.65 58.62 2kvz s ILE 54 Cb -0.08 -2.66 0.00 0.00 1.25 0.00 0.00 42.46 40.97 2kvz s ILE 54 CO 0.13 0.00 0.00 0.18 0.24 0.00 0.00 174.94 175.49 2kvz n LEU 55 N -0.57 -1.46 -4.91 0.37 4.77 -1.26 -4.98 117.00 108.97 2kvz n LEU 55 Ca -0.01 0.26 -0.28 0.00 -0.03 0.00 0.00 56.01 55.95 2kvz n LEU 55 Cb 0.66 -2.48 0.04 0.00 -2.33 0.00 0.00 43.42 39.32 2kvz n LEU 55 CO 0.39 -0.63 0.61 -0.83 -1.33 0.00 0.00 177.39 175.60 2kvz s GLY 56 N -2.59 1.62 0.00 -0.72 0.00 -1.26 -4.81 107.32 99.56 2kvz s GLY 56 Ca 0.00 -0.62 0.01 0.00 0.00 0.00 0.00 44.72 44.11 2kvz s GLY 56 CO 0.00 -0.30 0.01 -1.34 0.00 0.00 0.00 173.10 171.47 2kvz s VAL 57 N -3.14 4.19 -0.23 1.40 -7.23 -1.26 -2.12 120.40 112.00 2kvz s VAL 57 Ca 0.56 -0.60 -0.29 0.00 -1.81 0.00 0.00 61.98 59.84 2kvz s VAL 57 Cb -0.11 -2.87 -0.06 0.00 0.56 0.00 0.00 36.38 33.90 2kvz s VAL 57 CO 0.47 0.37 2.22 0.49 -0.31 0.00 0.00 175.10 178.34 2kvz n PHE 58 N 1.36 1.92 -3.69 2.82 3.72 -0.07 -4.81 117.46 118.70 2kvz n PHE 58 Ca -0.14 -0.08 -0.20 0.00 -0.05 0.00 0.00 57.45 56.97 2kvz n PHE 58 Cb 0.53 -2.71 -0.02 0.00 -0.94 0.00 0.00 39.48 36.34 2kvz n PHE 58 CO 0.00 0.00 0.00 0.99 -0.05 0.00 0.00 176.76 177.70 2kvz s THR 59 N 8.22 3.73 -1.04 4.37 2.01 -1.26 -0.45 115.64 131.21 2kvz s THR 59 Ca 1.02 -1.24 0.14 0.00 0.31 0.00 0.00 61.69 61.93 2kvz s THR 59 Cb -0.40 -3.27 0.13 0.00 0.01 0.00 0.00 72.50 68.98 2kvz s THR 59 CO 0.37 -0.17 1.45 -1.84 -0.69 0.00 0.00 174.62 173.74 2kvz n GLU 60 N -1.47 0.02 -3.33 4.92 -0.00 -1.26 -4.49 120.64 115.04 2kvz n GLU 60 Ca -0.01 0.25 -0.40 0.00 -0.00 0.00 0.00 57.16 57.00 2kvz n GLU 60 Cb 0.59 -1.50 -0.09 0.00 -0.00 0.00 0.00 31.44 30.45 2kvz n GLU 60 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.13 176.01 2kvz s SER 61 N -2.96 6.30 -0.17 -1.84 0.01 -1.26 -5.03 113.70 108.77 2kvz s SER 61 Ca 0.08 0.27 -0.30 0.00 1.31 0.00 0.00 55.95 57.30 2kvz s SER 61 Cb 0.09 -2.24 -0.08 0.00 0.21 0.00 0.00 66.02 64.01 2kvz s SER 61 CO 0.25 -0.26 2.13 -2.65 0.41 0.00 0.00 173.24 173.12 2kvz n PRO 62 N 5.45 2.07 -3.38 12.44 -0.02 -1.26 -4.96 135.00 145.33 2kvz n PRO 62 Ca -0.07 0.65 -0.32 0.00 -2.02 0.00 0.00 63.50 61.74 2kvz n PRO 62 Cb 0.50 -3.01 -0.05 0.00 -0.02 0.00 0.00 33.50 30.92 2kvz n PRO 62 CO 0.00 0.00 0.00 -0.65 1.98 0.00 0.00 175.50 176.83 2kvz s GLN 63 N 5.66 3.80 -0.17 -0.52 -0.21 -1.26 -4.96 119.66 122.00 2kvz s GLN 63 Ca 0.99 0.28 0.01 0.00 0.02 0.00 0.00 55.36 56.65 2kvz s GLN 63 Cb -0.47 -2.63 0.02 0.00 1.00 0.00 0.00 33.01 30.93 2kvz s GLN 63 CO 0.41 0.29 -0.19 0.99 -2.12 0.00 0.00 175.29 174.67 2kvz s THR 64 N -1.86 1.94 -0.47 -0.19 2.01 -1.26 -0.46 115.64 115.35 2kvz s THR 64 Ca 0.48 -0.87 -0.09 0.00 0.31 0.00 0.00 61.69 61.52 2kvz s THR 64 Cb -0.11 -1.77 0.12 0.00 0.01 0.00 0.00 72.50 70.75 2kvz s THR 64 CO 0.22 0.52 0.33 -0.63 -0.69 0.00 0.00 174.62 174.37 2kvz s ILE 65 N 1.32 4.13 -0.39 1.82 1.01 1.00 -4.93 121.20 125.16 2kvz s ILE 65 Ca 0.05 -1.82 -0.20 0.00 0.00 0.00 0.00 60.65 58.68 2kvz s ILE 65 Cb -0.13 -3.73 0.01 0.00 0.01 0.00 0.00 42.46 38.62 2kvz s ILE 65 CO -0.12 -0.77 0.63 0.20 0.00 0.00 0.00 174.94 174.88 2kvz s ASN 66 N 2.60 6.38 -0.34 3.58 0.01 -1.26 -0.04 114.94 125.86 2kvz s ASN 66 Ca 0.06 -0.06 -0.10 0.00 -0.71 0.00 0.00 52.86 52.05 2kvz s ASN 66 Cb -0.26 -2.32 0.01 0.00 0.41 0.00 0.00 41.25 39.09 2kvz s ASN 66 CO -0.01 -0.67 0.17 -0.63 -1.51 0.00 0.00 177.10 174.46 2kvz s ILE 67 N 2.75 4.55 -0.33 0.60 1.01 0.55 -4.34 121.20 125.99 2kvz s ILE 67 Ca 0.23 -0.65 -0.13 0.00 0.00 0.00 0.00 60.65 60.11 2kvz s ILE 67 Cb -0.14 -3.43 -0.02 0.00 0.01 0.00 0.00 42.46 38.88 2kvz s ILE 67 CO 0.17 -0.08 0.24 -0.63 0.00 0.00 0.00 174.94 174.64 2kvz s ILE 68 N 1.58 5.28 0.42 2.92 1.01 -1.26 0.10 121.20 131.25 2kvz s ILE 68 Ca 0.03 -0.16 0.08 0.00 0.00 0.00 0.00 60.65 60.60 2kvz s ILE 68 Cb -0.18 -3.70 0.01 0.00 0.01 0.00 0.00 42.46 38.60 2kvz s ILE 68 CO 0.06 0.01 0.57 -0.31 0.00 0.00 0.00 174.94 175.27 2kvz s TYR 69 N 1.74 2.84 -0.05 3.97 1.51 0.18 -1.83 117.35 125.71 2kvz s TYR 69 Ca 0.06 -0.37 0.03 0.00 -1.01 0.00 0.00 57.07 55.78 2kvz s TYR 69 Cb -0.17 -2.35 0.01 0.00 -0.11 0.00 0.00 41.96 39.33 2kvz s TYR 69 CO 0.11 -0.39 -0.11 -1.14 -1.11 0.00 0.00 175.55 172.90 2kvz s GLN 70 N -4.35 1.44 0.22 -0.62 0.74 0.27 -0.35 119.66 117.01 2kvz s GLN 70 Ca 0.54 -0.38 -0.30 0.00 0.05 0.00 0.00 55.36 55.27 2kvz s GLN 70 Cb -0.10 -1.24 -0.09 0.00 1.10 0.00 0.00 33.01 32.68 2kvz s GLN 70 CO 0.33 0.07 1.34 0.21 -0.55 0.00 0.00 175.29 176.69 2kvz s LYS 71 N 0.47 4.36 0.38 1.67 2.20 -1.26 -1.74 119.74 125.82 2kvz s LYS 71 Ca -0.10 2.13 -0.26 0.00 -0.36 0.00 0.00 55.97 57.38 2kvz s LYS 71 Cb -0.13 -3.16 -0.09 0.00 -1.51 0.00 0.00 37.83 32.94 2kvz s LYS 71 CO 0.02 -0.28 1.20 0.15 -0.36 0.00 0.00 175.35 176.08 2kvz s LYS 72 N -0.35 4.13 0.95 4.03 1.02 -1.26 -4.93 119.74 123.33 2kvz s LYS 72 Ca 0.56 1.92 -0.12 0.00 0.02 0.00 0.00 55.97 58.36 2kvz s LYS 72 Cb -0.38 -2.78 0.16 0.00 -0.52 0.00 0.00 37.83 34.31 2kvz s LYS 72 CO 0.41 -0.28 1.09 0.00 -0.92 0.00 0.00 175.35 175.65 2kvz s ALA 73 N -1.34 1.21 -0.56 5.17 0.00 -1.26 -4.85 121.76 120.13 2kvz s ALA 73 Ca 0.55 -0.15 -0.37 0.00 0.00 0.00 0.00 51.96 51.99 2kvz s ALA 73 Cb -0.33 -3.18 -0.16 0.00 0.00 0.00 0.00 23.12 19.45 2kvz s ALA 73 CO 0.42 -2.63 2.31 -2.30 0.00 0.00 0.00 175.76 173.56 2kvz n PRO 74 N -4.06 0.42 0.26 0.00 -0.02 -1.26 -4.79 135.00 125.56 2kvz n PRO 74 Ca 0.06 0.09 0.16 0.00 -2.02 0.00 0.00 63.50 61.80 2kvz n PRO 74 Cb 0.56 -1.96 0.62 0.00 -0.02 0.00 0.00 33.50 32.70 2kvz n PRO 74 CO 0.00 0.00 0.00 0.93 1.98 0.00 0.00 175.50 178.41 2kvz h GLU 75 N 11.59 0.00 0.00 -0.52 5.08 -1.92 -1.10 114.58 127.71 2kvz h GLU 75 Ca -0.15 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.21 2kvz h GLU 75 Cb 1.35 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.60 2kvz h GLU 75 CO 1.14 0.00 0.00 1.96 -1.00 0.00 0.00 179.01 181.11 2kvz h GLN 76 N 0.00 0.00 0.00 2.33 4.20 -2.02 -2.69 115.11 116.93 2kvz h GLN 76 Ca 0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 2kvz h GLN 76 Cb 0.56 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.34 2kvz h GLN 76 CO 0.00 0.00 -0.85 0.00 -0.67 0.00 0.00 178.83 177.31 2kvz n ALA 77 N -1.85 3.11 -2.58 3.87 0.00 -0.45 -4.79 120.51 117.83 2kvz n ALA 77 Ca 0.05 -0.32 -0.42 0.00 0.00 0.00 0.00 53.44 52.75 2kvz n ALA 77 Cb 0.43 -1.07 -0.06 0.00 0.00 0.00 0.00 19.45 18.75 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 -4.16 4.18 0.33 0.00 1.43 -1.01 -5.03 118.68 114.41 2kvz s LEU 78 Ca 0.04 0.27 -0.29 0.00 -1.03 0.00 0.00 54.13 53.13 2kvz s LEU 78 Cb 0.14 -2.94 -0.10 0.00 0.03 0.00 0.00 46.19 43.32 2kvz s LEU 78 CO 0.76 -0.68 1.35 -1.61 0.23 0.00 0.00 176.35 176.40 2kvz s GLU 79 N 2.95 4.30 0.16 1.70 2.02 -1.26 -4.92 118.70 123.65 2kvz s GLU 79 Ca 0.29 2.29 -0.00 0.00 0.02 0.00 0.00 54.97 57.56 2kvz s GLU 79 Cb -0.14 -3.06 -0.01 0.00 0.10 0.00 0.00 34.13 31.03 2kvz s GLU 79 CO 0.16 -0.27 1.37 0.45 0.02 0.00 0.00 175.26 176.99 2kvz h HIS 80 N 3.50 0.43 -3.53 1.61 3.86 -1.96 -3.37 115.15 115.69 2kvz h HIS 80 Ca -0.49 -0.23 -0.61 0.00 -1.16 0.00 0.00 60.37 57.89 2kvz h HIS 80 Cb 1.23 -0.05 -0.11 0.00 1.06 0.00 0.00 27.41 29.54 2kvz h HIS 80 CO 0.56 1.02 0.46 -1.01 0.86 0.00 0.00 177.93 179.82 2kvz s HIS 81 N -3.32 3.08 0.60 2.45 3.76 -1.26 -4.93 115.29 115.67 2kvz s HIS 81 Ca -0.04 0.58 0.31 0.00 -0.15 0.00 0.00 55.06 55.76 2kvz s HIS 81 Cb 0.10 -3.54 1.82 0.00 1.11 0.00 0.00 32.58 32.06 2kvz s HIS 81 CO 0.84 -0.81 2.18 0.45 -0.85 0.00 0.00 174.74 176.56 2kvz h HIS 82 N 8.56 0.00 -0.09 1.40 -0.00 -2.00 -3.44 115.15 119.57 2kvz h HIS 82 Ca -0.24 0.00 -0.04 0.00 -0.00 0.00 0.00 60.37 60.09 2kvz h HIS 82 Cb 1.09 0.00 -0.02 0.00 -0.00 0.00 0.00 27.41 28.48 2kvz h HIS 82 CO 0.81 0.00 -0.04 1.58 -0.00 0.00 0.00 177.93 180.29 2kvz n HIS 83 N -3.68 0.00 -4.89 2.45 -0.00 -1.26 -4.95 115.22 102.89 2kvz n HIS 83 Ca -0.01 0.00 -0.33 0.00 -0.00 0.00 0.00 57.72 57.38 2kvz n HIS 83 Cb 0.20 -1.32 -0.14 0.00 -0.00 0.00 0.00 29.99 28.73 2kvz n HIS 83 CO 0.00 0.00 0.00 -1.58 -0.00 0.00 0.00 176.34 174.76 2kvz s HIS 84 N -1.59 2.72 -2.76 1.57 2.46 -1.26 -5.26 115.29 111.18 2kvz s HIS 84 Ca 0.00 -0.45 0.22 0.00 0.47 0.00 0.00 55.06 55.30 2kvz s HIS 84 Cb 0.00 -1.73 0.17 0.00 -0.13 0.00 0.00 32.58 30.90 2kvz s HIS 84 CO 0.00 -0.05 1.20 0.72 -2.47 0.00 0.00 174.74 174.14