#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kz4 s ASN 2 N 0.00 6.55 0.46 7.83 0.01 -1.26 -5.06 114.94 123.47 2kz4 s ASN 2 Ca 0.00 0.28 -0.21 0.00 -0.71 0.00 0.00 52.86 52.22 2kz4 s ASN 2 Cb 0.00 -2.42 -0.09 0.00 0.41 0.00 0.00 41.25 39.15 2kz4 s ASN 2 CO 0.00 -0.87 1.02 -0.63 -1.51 0.00 0.00 177.10 175.12 2kz4 s ILE 3 N 3.37 3.89 -1.08 0.60 -1.09 -1.26 -4.96 121.20 120.67 2kz4 s ILE 3 Ca 0.34 1.21 -0.07 0.00 -2.23 0.00 0.00 60.65 59.90 2kz4 s ILE 3 Cb -0.12 -3.51 -0.07 0.00 -1.58 0.00 0.00 42.46 37.18 2kz4 s ILE 3 CO 0.20 -0.22 2.42 0.61 -1.23 0.00 0.00 174.94 176.73 2kz4 n GLY 4 N -0.24 3.43 0.35 6.18 0.00 -1.26 -4.67 105.19 108.98 2kz4 n GLY 4 Ca 0.08 -1.05 0.04 0.00 0.00 0.00 0.00 46.02 45.09 2kz4 n GLY 4 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 2kz4 h ARG 5 N 5.73 0.80 -5.45 1.61 2.47 -1.97 -3.38 114.38 114.20 2kz4 h ARG 5 Ca 0.59 -0.05 -0.33 0.00 -1.26 0.00 0.00 59.98 58.94 2kz4 h ARG 5 Cb 0.26 -0.18 -0.04 0.00 -1.65 0.00 0.00 29.97 28.36 2kz4 h ARG 5 CO 1.48 0.53 1.06 -0.51 0.56 0.00 0.00 179.97 183.09 2kz4 s LEU 6 N -9.74 3.03 0.01 3.04 1.43 -1.26 -4.37 118.68 110.82 2kz4 s LEU 6 Ca -0.10 -1.68 0.16 0.00 -1.03 0.00 0.00 54.13 51.48 2kz4 s LEU 6 Cb 0.19 -2.59 -0.17 0.00 0.03 0.00 0.00 46.19 43.64 2kz4 s LEU 6 CO 0.77 -3.13 0.71 -2.11 0.23 0.00 0.00 176.35 172.83 2kz4 n ARG 7 N 8.26 0.63 -1.91 1.70 1.85 -0.65 -4.68 116.66 121.86 2kz4 n ARG 7 Ca 0.45 0.21 -0.06 0.00 -1.00 0.00 0.00 57.85 57.44 2kz4 n ARG 7 Cb 0.47 -1.77 0.01 0.00 -1.05 0.00 0.00 32.46 30.11 2kz4 n ARG 7 CO 0.00 0.00 0.00 -0.25 -0.01 0.00 0.00 177.63 177.37 2kz4 n ASP 8 N -2.89 1.14 -3.68 2.89 8.00 0.52 -4.93 116.55 117.59 2kz4 n ASP 8 Ca -0.13 -1.48 -0.13 0.00 0.71 0.00 0.00 54.79 53.76 2kz4 n ASP 8 Cb 0.91 -0.05 -0.09 0.00 -0.02 0.00 0.00 41.12 41.87 2kz4 n ASP 8 CO 0.00 0.00 0.00 -0.60 -0.39 0.00 0.00 177.20 176.21 2kz4 s ARG 9 N -2.65 0.65 0.02 -1.24 3.52 -0.82 -1.50 118.95 116.92 2kz4 s ARG 9 Ca 0.11 0.82 0.03 0.00 -0.13 0.00 0.00 55.73 56.56 2kz4 s ARG 9 Cb -0.01 0.29 -0.02 0.00 -1.56 0.00 0.00 34.95 33.66 2kz4 s ARG 9 CO 0.07 -0.09 -0.09 0.96 -0.81 0.00 0.00 175.30 175.34 2kz4 s ILE 10 N 0.45 0.68 -0.25 4.11 -0.00 -0.46 -0.98 121.20 124.76 2kz4 s ILE 10 Ca -0.01 -0.74 -0.18 0.00 -0.00 0.00 0.00 60.65 59.71 2kz4 s ILE 10 Cb -0.04 -0.65 -0.03 0.00 -0.00 0.00 0.00 42.46 41.74 2kz4 s ILE 10 CO -0.01 -0.07 0.52 -0.89 -0.00 0.00 0.00 174.94 174.49 2kz4 s THR 11 N -0.75 5.07 -0.85 8.37 2.01 0.31 -1.70 115.64 128.09 2kz4 s THR 11 Ca -0.02 0.92 -0.24 0.00 0.31 0.00 0.00 61.69 62.65 2kz4 s THR 11 Cb -0.06 -3.84 0.05 0.00 0.01 0.00 0.00 72.50 68.65 2kz4 s THR 11 CO 0.00 0.10 1.30 -0.63 -0.69 0.00 0.00 174.62 174.71 2kz4 s ILE 12 N 2.18 3.92 -0.68 1.82 -1.09 -0.65 -1.51 121.20 125.19 2kz4 s ILE 12 Ca 0.22 -0.24 -0.26 0.00 -2.23 0.00 0.00 60.65 58.13 2kz4 s ILE 12 Cb -0.16 -4.94 -0.00 0.00 -1.58 0.00 0.00 42.46 35.78 2kz4 s ILE 12 CO 0.09 -1.83 1.65 -1.10 -1.23 0.00 0.00 174.94 172.53 2kz4 s GLN 13 N 5.08 2.84 0.36 2.79 -0.21 -0.27 -1.08 119.66 129.18 2kz4 s GLN 13 Ca 0.38 0.23 -0.24 0.00 0.02 0.00 0.00 55.36 55.74 2kz4 s GLN 13 Cb -0.06 -4.38 -0.10 0.00 1.00 0.00 0.00 33.01 29.48 2kz4 s GLN 13 CO 0.03 -2.55 0.95 0.95 -2.12 0.00 0.00 175.29 172.55 2kz4 s THR 14 N 7.87 4.26 -0.49 -0.19 -4.23 -0.11 -1.28 115.64 121.46 2kz4 s THR 14 Ca 0.56 1.69 -0.20 0.00 -1.18 0.00 0.00 61.69 62.56 2kz4 s THR 14 Cb -0.10 -3.86 0.05 0.00 1.34 0.00 0.00 72.50 69.93 2kz4 s THR 14 CO 0.17 -0.03 0.66 -0.22 -0.54 0.00 0.00 174.62 174.66 2kz4 s LEU 15 N -2.47 4.75 -0.56 4.79 2.96 -1.12 -0.91 118.68 126.12 2kz4 s LEU 15 Ca 0.55 -0.70 -0.19 0.00 -0.22 0.00 0.00 54.13 53.56 2kz4 s LEU 15 Cb -0.15 -2.55 0.09 0.00 0.50 0.00 0.00 46.19 44.07 2kz4 s LEU 15 CO 0.20 -0.89 0.67 -0.75 -1.32 0.00 0.00 176.35 174.26 2kz4 s LYS 16 N 2.81 3.07 -0.88 1.98 2.20 0.55 -4.95 119.74 124.51 2kz4 s LYS 16 Ca 0.18 -1.19 -0.25 0.00 -0.36 0.00 0.00 55.97 54.36 2kz4 s LYS 16 Cb -0.17 -4.21 0.02 0.00 -1.51 0.00 0.00 37.83 31.96 2kz4 s LYS 16 CO 0.14 -1.43 1.51 -0.65 -0.36 0.00 0.00 175.35 174.56 2kz4 s GLN 17 N 2.65 3.23 -0.21 4.03 -0.21 -1.26 -1.91 119.66 125.97 2kz4 s GLN 17 Ca 0.12 -0.57 -0.17 0.00 0.02 0.00 0.00 55.36 54.76 2kz4 s GLN 17 Cb -0.23 -4.87 -0.03 0.00 1.00 0.00 0.00 33.01 28.88 2kz4 s GLN 17 CO 0.08 -2.41 0.48 0.99 -2.12 0.00 0.00 175.29 172.31 2kz4 s THR 18 N 6.33 5.13 0.77 -0.19 2.01 0.73 -4.77 115.64 125.65 2kz4 s THR 18 Ca 0.48 0.85 -0.11 0.00 0.31 0.00 0.00 61.69 63.22 2kz4 s THR 18 Cb -0.05 -3.80 0.05 0.00 0.01 0.00 0.00 72.50 68.72 2kz4 s THR 18 CO 0.02 0.18 1.08 -0.60 -0.69 0.00 0.00 174.62 174.61 2kz4 s ARG 19 N 1.69 2.32 0.34 4.92 3.52 -1.26 -1.00 118.95 129.47 2kz4 s ARG 19 Ca 0.22 0.76 0.08 0.00 -0.13 0.00 0.00 55.73 56.66 2kz4 s ARG 19 Cb -0.15 -1.94 -0.04 0.00 -1.56 0.00 0.00 34.95 31.26 2kz4 s ARG 19 CO 0.09 -1.49 0.18 0.34 -0.81 0.00 0.00 175.30 173.61 2kz4 s ASP 20 N -3.83 4.83 0.39 -2.12 2.15 0.60 -4.87 116.67 113.81 2kz4 s ASP 20 Ca 0.60 -0.70 0.25 0.00 0.43 0.00 0.00 52.55 53.13 2kz4 s ASP 20 Cb -0.15 -0.79 1.37 0.00 -0.30 0.00 0.00 42.92 43.06 2kz4 s ASP 20 CO 0.55 -0.31 1.76 -0.29 -0.17 0.00 0.00 175.17 176.71 2kz4 h ILE 21 N 1.48 0.00 -0.01 4.11 2.10 -1.99 -0.78 117.51 122.42 2kz4 h ILE 21 Ca -0.44 0.00 0.00 0.00 1.08 0.00 0.00 64.86 65.50 2kz4 h ILE 21 Cb 1.25 0.56 0.00 0.00 -1.09 0.00 0.00 36.82 37.54 2kz4 h ILE 21 CO 0.62 0.00 -0.53 0.35 -1.08 0.00 0.00 178.15 177.51 2kz4 n THR 22 N -2.40 0.00 -1.78 2.19 -2.24 -1.26 -4.96 114.28 103.83 2kz4 n THR 22 Ca -0.02 -0.13 0.00 0.00 -2.27 0.00 0.00 64.05 61.63 2kz4 n THR 22 Cb 0.07 0.82 0.00 0.00 -2.10 0.00 0.00 70.33 69.12 2kz4 n THR 22 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2kz4 n GLY 23 N 1.43 0.71 3.38 3.38 0.00 -0.30 -5.09 105.19 108.69 2kz4 n GLY 23 Ca 0.08 -0.46 -0.32 0.00 0.00 0.00 0.00 46.02 45.32 2kz4 n GLY 23 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2kz4 s GLU 24 N -3.46 2.71 -0.26 1.61 2.02 -1.25 -4.88 118.70 115.19 2kz4 s GLU 24 Ca 0.00 -0.76 -0.19 0.00 0.02 0.00 0.00 54.97 54.04 2kz4 s GLU 24 Cb 0.00 -2.36 -0.02 0.00 0.10 0.00 0.00 34.13 31.85 2kz4 s GLU 24 CO 0.00 0.45 0.56 0.42 0.02 0.00 0.00 175.26 176.71 2kz4 s ILE 25 N -0.31 5.04 -0.19 -1.63 -1.09 -1.26 -0.29 121.20 121.47 2kz4 s ILE 25 Ca 0.02 0.98 -0.03 0.00 -2.23 0.00 0.00 60.65 59.39 2kz4 s ILE 25 Cb -0.13 -3.87 -0.01 0.00 -1.58 0.00 0.00 42.46 36.87 2kz4 s ILE 25 CO 0.03 0.07 -0.07 -0.76 -1.23 0.00 0.00 174.94 172.97 2kz4 s LEU 26 N 2.34 2.87 -0.31 2.97 1.02 -0.17 -4.95 118.68 122.45 2kz4 s LEU 26 Ca 0.23 -0.35 -0.28 0.00 0.02 0.00 0.00 54.13 53.75 2kz4 s LEU 26 Cb -0.16 -1.70 0.01 0.00 0.02 0.00 0.00 46.19 44.37 2kz4 s LEU 26 CO 0.09 0.05 1.00 -1.61 0.02 0.00 0.00 176.35 175.91 2kz4 s GLU 27 N 1.03 4.06 0.10 1.70 8.01 -1.26 -0.19 118.70 132.14 2kz4 s GLU 27 Ca 0.00 0.98 0.05 0.00 0.01 0.00 0.00 54.97 56.01 2kz4 s GLU 27 Cb -0.15 -3.73 -0.03 0.00 -4.31 0.00 0.00 34.13 25.91 2kz4 s GLU 27 CO -0.00 -0.82 -0.13 0.95 0.01 0.00 0.00 175.26 175.26 2kz4 s THR 28 N 3.45 1.13 -0.34 3.63 -4.23 -0.80 -4.99 115.64 113.48 2kz4 s THR 28 Ca 0.42 -1.53 -0.06 0.00 -1.18 0.00 0.00 61.69 59.34 2kz4 s THR 28 Cb -0.13 -1.30 0.05 0.00 1.34 0.00 0.00 72.50 72.46 2kz4 s THR 28 CO 0.14 -0.38 0.11 0.26 -0.54 0.00 0.00 174.62 174.20 2kz4 s TRP 29 N -1.89 3.29 -0.08 3.99 0.52 -1.26 -0.33 118.94 123.18 2kz4 s TRP 29 Ca 0.04 -1.57 -0.16 0.00 0.02 0.00 0.00 56.10 54.42 2kz4 s TRP 29 Cb -0.06 -2.37 -0.05 0.00 -1.15 0.00 0.00 33.47 29.84 2kz4 s TRP 29 CO 0.02 -0.77 0.42 -1.83 0.02 0.00 0.00 176.95 174.81 2kz4 s GLU 30 N 1.36 4.17 0.11 4.98 -1.05 -0.08 -4.91 118.70 123.28 2kz4 s GLU 30 Ca -0.01 0.38 -0.31 0.00 -0.15 0.00 0.00 54.97 54.88 2kz4 s GLU 30 Cb -0.20 -3.35 -0.09 0.00 -0.44 0.00 0.00 34.13 30.05 2kz4 s GLU 30 CO 0.02 0.37 1.61 0.16 0.95 0.00 0.00 175.26 178.36 2kz4 s ASP 31 N -0.05 6.60 0.00 0.83 -4.77 -1.26 -0.94 116.67 117.09 2kz4 s ASP 31 Ca 0.24 2.54 0.00 0.00 -3.30 0.00 0.00 52.55 52.03 2kz4 s ASP 31 Cb -0.15 -2.58 0.00 0.00 -1.09 0.00 0.00 42.92 39.10 2kz4 s ASP 31 CO 0.10 -0.85 0.00 0.61 0.70 0.00 0.00 175.17 175.73 2kz4 n GLY 32 N 3.87 0.72 3.66 2.12 0.00 -0.24 -4.87 105.19 110.45 2kz4 n GLY 32 Ca 0.15 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.80 2kz4 n GLY 32 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2kz4 s HIS 33 N 2.38 3.32 -0.68 1.61 3.76 -1.25 -4.80 115.29 119.63 2kz4 s HIS 33 Ca 0.00 0.25 -0.14 0.00 -0.15 0.00 0.00 55.06 55.02 2kz4 s HIS 33 Cb 0.00 -2.29 0.17 0.00 1.11 0.00 0.00 32.58 31.57 2kz4 s HIS 33 CO 0.00 0.06 0.61 0.99 -0.85 0.00 0.00 174.74 175.55 2kz4 s THR 34 N 1.09 5.27 0.39 1.30 2.01 -1.25 -1.64 115.64 122.80 2kz4 s THR 34 Ca 0.08 -2.05 0.08 0.00 0.31 0.00 0.00 61.69 60.11 2kz4 s THR 34 Cb -0.14 -4.32 -0.06 0.00 0.01 0.00 0.00 72.50 67.99 2kz4 s THR 34 CO 0.05 -0.94 0.06 -1.48 -0.69 0.00 0.00 174.62 171.62 2kz4 s LEU 35 N 0.83 2.97 0.28 4.42 2.34 -0.69 -4.83 118.68 124.00 2kz4 s LEU 35 Ca 0.11 -1.18 -0.30 0.00 0.06 0.00 0.00 54.13 52.83 2kz4 s LEU 35 Cb -0.20 -1.19 -0.10 0.00 -0.56 0.00 0.00 46.19 44.14 2kz4 s LEU 35 CO -0.03 -0.42 1.45 0.26 -1.06 0.00 0.00 176.35 176.55 2kz4 s TRP 36 N -2.62 2.93 0.15 3.48 0.23 -1.26 -1.36 118.94 120.48 2kz4 s TRP 36 Ca 0.37 1.06 -0.01 0.00 -2.03 0.00 0.00 56.10 55.49 2kz4 s TRP 36 Cb 0.05 -3.87 -0.04 0.00 0.03 0.00 0.00 33.47 29.65 2kz4 s TRP 36 CO 0.20 -2.74 0.06 0.00 0.96 0.00 0.00 176.95 175.43 2kz4 s ALA 37 N -0.30 0.98 -0.48 0.98 0.00 -0.57 -4.51 121.76 117.87 2kz4 s ALA 37 Ca 0.58 -1.53 0.04 0.00 0.00 0.00 0.00 51.96 51.05 2kz4 s ALA 37 Cb -0.43 0.90 0.12 0.00 0.00 0.00 0.00 23.12 23.72 2kz4 s ALA 37 CO 0.48 -0.48 0.21 0.45 0.00 0.00 0.00 175.76 176.42 2kz4 s SER 38 N -3.08 4.38 -0.68 0.00 0.15 0.13 -0.36 113.70 114.23 2kz4 s SER 38 Ca 0.26 -2.82 -0.21 0.00 0.70 0.00 0.00 55.95 53.89 2kz4 s SER 38 Cb 0.07 -1.61 0.09 0.00 -1.71 0.00 0.00 66.02 62.87 2kz4 s SER 38 CO 0.04 -0.26 0.90 -0.69 1.20 0.00 0.00 173.24 174.43 2kz4 s VAL 39 N -0.02 4.58 -0.22 4.45 1.01 -1.26 -2.04 120.40 126.90 2kz4 s VAL 39 Ca 0.16 -0.81 0.01 0.00 0.00 0.00 0.00 61.98 61.34 2kz4 s VAL 39 Cb -0.24 -4.63 0.03 0.00 0.00 0.00 0.00 36.38 31.54 2kz4 s VAL 39 CO -0.02 -1.35 -0.15 0.20 0.00 0.00 0.00 175.10 173.78 2kz4 s ASN 40 N 3.63 3.76 0.16 3.32 0.01 0.17 -4.92 114.94 121.08 2kz4 s ASN 40 Ca 0.20 -0.92 -0.31 0.00 -0.71 0.00 0.00 52.86 51.12 2kz4 s ASN 40 Cb -0.17 -1.54 -0.09 0.00 0.41 0.00 0.00 41.25 39.86 2kz4 s ASN 40 CO 0.05 -0.08 1.50 -0.04 -1.51 0.00 0.00 177.10 177.02 2kz4 s MET 41 N 1.24 4.25 0.44 -0.60 -1.94 -1.26 -1.61 119.30 119.82 2kz4 s MET 41 Ca -0.00 2.27 -0.23 0.00 -1.71 0.00 0.00 55.69 56.01 2kz4 s MET 41 Cb -0.16 -3.18 -0.08 0.00 2.01 0.00 0.00 34.83 33.43 2kz4 s MET 41 CO -0.09 -0.53 1.15 0.14 -0.01 0.00 0.00 175.02 175.68 2kz4 s VAL 42 N 0.97 3.19 0.81 -6.03 -7.23 -0.56 -4.87 120.40 106.68 2kz4 s VAL 42 Ca 0.67 0.91 -0.09 0.00 -1.81 0.00 0.00 61.98 61.66 2kz4 s VAL 42 Cb -0.41 -3.47 0.13 0.00 0.56 0.00 0.00 36.38 33.19 2kz4 s VAL 42 CO 0.32 0.00 1.14 -0.55 -0.31 0.00 0.00 175.10 175.71 2kz4 s SER 43 N -1.35 4.05 0.57 4.85 0.15 -1.26 -1.16 113.70 119.55 2kz4 s SER 43 Ca 0.62 0.22 0.27 0.00 0.70 0.00 0.00 55.95 57.76 2kz4 s SER 43 Cb -0.28 -0.57 1.69 0.00 -1.71 0.00 0.00 66.02 65.15 2kz4 s SER 43 CO 0.34 -2.10 2.21 0.77 1.20 0.00 0.00 173.24 175.66 2kz4 h SER 44 N -1.00 0.00 0.16 5.45 4.64 -1.95 -2.84 113.55 118.01 2kz4 h SER 44 Ca -0.43 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 60.88 2kz4 h SER 44 Cb 1.28 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.36 2kz4 h SER 44 CO 0.48 0.02 -0.07 0.07 -0.87 0.00 0.00 176.83 176.46 2kz4 h LYS 45 N 0.00 0.00 -0.42 4.77 -0.00 -1.97 -1.23 116.57 117.72 2kz4 h LYS 45 Ca -0.00 0.00 -0.11 0.00 -0.00 0.00 0.00 60.65 60.54 2kz4 h LYS 45 Cb 0.05 0.00 -0.01 0.00 -0.00 0.00 0.00 32.23 32.27 2kz4 h LYS 45 CO 0.00 0.07 -0.18 0.93 -0.00 0.00 0.00 179.45 180.27 2kz4 h GLU 46 N 0.00 0.86 -0.23 0.07 4.39 -1.87 -0.42 114.58 117.38 2kz4 h GLU 46 Ca -0.00 -0.37 -0.14 0.00 0.34 0.00 0.00 59.36 59.19 2kz4 h GLU 46 Cb 0.17 -0.03 -0.01 0.00 -0.10 0.00 0.00 28.75 28.78 2kz4 h GLU 46 CO 0.01 1.01 -0.45 0.00 -1.16 0.00 0.00 179.01 178.42 2kz4 h ALA 47 N 0.83 0.79 -0.68 3.43 0.00 -1.42 -1.90 119.26 120.31 2kz4 h ALA 47 Ca 0.10 -0.46 -0.07 0.00 0.00 0.00 0.00 54.91 54.47 2kz4 h ALA 47 Cb 0.74 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 18.40 2kz4 h ALA 47 CO 0.06 0.66 0.14 0.82 0.00 0.00 0.00 179.25 180.93 2kz4 h ILE 48 N 0.47 1.26 -0.02 0.00 2.04 -1.20 0.02 117.51 120.08 2kz4 h ILE 48 Ca 0.03 -1.00 -0.00 0.00 1.00 0.00 0.00 64.86 64.89 2kz4 h ILE 48 Cb 0.96 0.60 -0.00 0.00 -0.74 0.00 0.00 36.82 37.64 2kz4 h ILE 48 CO 0.09 0.38 -0.00 0.28 0.00 0.00 0.00 178.15 178.89 2kz4 h SER 49 N 1.03 0.03 0.84 1.72 0.02 -0.88 -3.32 113.55 112.99 2kz4 h SER 49 Ca 0.21 -0.32 0.00 0.00 -0.84 0.00 0.00 61.79 60.84 2kz4 h SER 49 Cb 0.40 -0.01 0.00 0.00 0.14 0.00 0.00 62.40 62.94 2kz4 h SER 49 CO 0.01 0.35 -1.11 -1.54 -1.14 0.00 0.00 176.83 173.39 2kz4 n SER 50 N -4.91 0.73 0.00 3.07 3.41 -0.73 -5.00 113.62 110.18 2kz4 n SER 50 Ca -0.08 0.25 0.00 0.00 -0.26 0.00 0.00 58.87 58.78 2kz4 n SER 50 Cb 0.18 0.65 0.00 0.00 -0.26 0.00 0.00 64.21 64.78 2kz4 n SER 50 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2kz4 n GLY 51 N 1.21 2.02 0.00 5.00 0.00 -0.01 -3.85 105.19 109.57 2kz4 n GLY 51 Ca -0.00 -0.34 0.00 0.00 0.00 0.00 0.00 46.02 45.68 2kz4 n GLY 51 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2kz4 n ALA 52 N 0.00 0.04 -0.22 4.61 0.00 -1.26 -4.73 120.51 118.95 2kz4 n ALA 52 Ca 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 53.44 53.39 2kz4 n ALA 52 Cb 0.00 0.00 0.05 0.00 0.00 0.00 0.00 19.45 19.50 2kz4 n ALA 52 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 2kz4 h GLU 53 N 0.00 0.82 -6.34 0.00 4.39 -1.91 -3.40 114.58 108.15 2kz4 h GLU 53 Ca 0.00 -0.05 -0.65 0.00 0.34 0.00 0.00 59.36 59.00 2kz4 h GLU 53 Cb 0.00 -0.19 -0.12 0.00 -0.10 0.00 0.00 28.75 28.34 2kz4 h GLU 53 CO 0.00 0.54 -0.67 -0.51 -1.16 0.00 0.00 179.01 177.22 2kz4 s LEU 54 N -10.15 3.44 0.36 1.33 1.43 -1.26 -5.12 118.68 108.70 2kz4 s LEU 54 Ca -0.13 -0.17 0.08 0.00 -1.03 0.00 0.00 54.13 52.88 2kz4 s LEU 54 Cb 0.14 -2.15 -0.07 0.00 0.03 0.00 0.00 46.19 44.13 2kz4 s LEU 54 CO 0.76 0.19 -0.03 0.00 0.23 0.00 0.00 176.35 177.49 2kz4 s ALA 55 N -1.28 2.90 -0.33 4.21 0.00 -1.26 -4.12 121.76 121.89 2kz4 s ALA 55 Ca 0.25 -2.15 -0.29 0.00 0.00 0.00 0.00 51.96 49.77 2kz4 s ALA 55 Cb -0.12 0.14 0.01 0.00 0.00 0.00 0.00 23.12 23.15 2kz4 s ALA 55 CO 0.17 -0.06 1.29 0.42 0.00 0.00 0.00 175.76 177.58 2kz4 s ILE 56 N -2.77 4.14 0.00 0.00 1.01 -1.26 -2.38 121.20 119.94 2kz4 s ILE 56 Ca 0.34 1.27 0.00 0.00 0.00 0.00 0.00 60.65 62.26 2kz4 s ILE 56 Cb 0.06 -4.21 0.00 0.00 0.01 0.00 0.00 42.46 38.33 2kz4 s ILE 56 CO 0.16 -0.54 0.00 0.61 0.00 0.00 0.00 174.94 175.17 2kz4 n GLY 57 N 4.41 0.74 3.59 6.18 0.00 -0.30 -5.02 105.19 114.78 2kz4 n GLY 57 Ca 0.15 0.00 -0.46 0.00 0.00 0.00 0.00 46.02 45.70 2kz4 n GLY 57 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 2kz4 n THR 58 N -2.09 0.42 -2.25 2.61 -1.04 -1.00 -4.47 114.28 106.46 2kz4 n THR 58 Ca 0.00 -0.29 -0.42 0.00 -2.04 0.00 0.00 64.05 61.30 2kz4 n THR 58 Cb 0.00 -2.14 -0.03 0.00 -1.82 0.00 0.00 70.33 66.34 2kz4 n THR 58 CO 0.00 0.00 0.00 -0.69 -0.64 0.00 0.00 175.07 173.74 2kz4 s VAL 59 N 6.58 3.70 -0.05 12.58 1.01 0.78 -1.50 120.40 143.50 2kz4 s VAL 59 Ca 1.00 0.66 -0.18 0.00 0.00 0.00 0.00 61.98 63.45 2kz4 s VAL 59 Cb -0.56 -4.12 -0.05 0.00 0.00 0.00 0.00 36.38 31.65 2kz4 s VAL 59 CO 0.44 -0.82 0.51 -0.60 0.00 0.00 0.00 175.10 174.62 2kz4 s ARG 60 N 5.53 4.25 -0.22 2.72 3.52 -0.64 -0.80 118.95 133.32 2kz4 s ARG 60 Ca 0.63 0.55 -0.02 0.00 -0.13 0.00 0.00 55.73 56.76 2kz4 s ARG 60 Cb -0.15 -3.35 0.07 0.00 -1.56 0.00 0.00 34.95 29.96 2kz4 s ARG 60 CO 0.29 0.35 0.04 0.42 -0.81 0.00 0.00 175.30 175.59 2kz4 s ILE 61 N -0.05 0.67 -0.20 4.11 1.01 -0.43 -0.65 121.20 125.66 2kz4 s ILE 61 Ca 0.27 -0.75 -0.19 0.00 0.00 0.00 0.00 60.65 59.98 2kz4 s ILE 61 Cb -0.17 -1.20 -0.03 0.00 0.01 0.00 0.00 42.46 41.07 2kz4 s ILE 61 CO 0.14 -0.28 0.54 0.26 0.00 0.00 0.00 174.94 175.60 2kz4 s TRP 62 N 1.78 3.38 0.20 3.97 0.52 -0.86 -0.74 118.94 127.19 2kz4 s TRP 62 Ca 0.00 0.80 0.04 0.00 0.02 0.00 0.00 56.10 56.96 2kz4 s TRP 62 Cb -0.17 -2.69 -0.05 0.00 -1.15 0.00 0.00 33.47 29.41 2kz4 s TRP 62 CO -0.11 -0.10 -0.03 0.96 0.02 0.00 0.00 176.95 177.69 2kz4 s ILE 63 N 1.64 1.07 0.58 2.03 -4.36 -0.99 -0.69 121.20 120.48 2kz4 s ILE 63 Ca 0.25 -2.04 -0.18 0.00 -0.26 0.00 0.00 60.65 58.41 2kz4 s ILE 63 Cb -0.15 -2.19 -0.07 0.00 1.25 0.00 0.00 42.46 41.30 2kz4 s ILE 63 CO 0.10 -0.46 0.76 0.54 0.24 0.00 0.00 174.94 176.12 2kz4 n ARG 64 N -0.35 0.71 -1.54 0.37 1.74 -1.26 -0.78 116.66 115.55 2kz4 n ARG 64 Ca -0.07 0.28 -0.44 0.00 -0.77 0.00 0.00 57.85 56.85 2kz4 n ARG 64 Cb 0.63 -1.94 -0.05 0.00 -1.02 0.00 0.00 32.46 30.08 2kz4 n ARG 64 CO 0.00 0.00 0.00 0.98 -1.52 0.00 0.00 177.63 177.09 2kz4 n TYR 65 N -1.70 1.73 -3.74 -1.55 4.19 -1.26 -3.71 117.16 111.12 2kz4 n TYR 65 Ca 0.13 0.04 -0.24 0.00 3.31 0.00 0.00 57.90 61.14 2kz4 n TYR 65 Cb 0.47 -2.65 -0.17 0.00 0.49 0.00 0.00 39.34 37.48 2kz4 n TYR 65 CO 0.00 0.00 0.00 0.50 0.91 0.00 0.00 176.86 178.27 2kz4 s ARG 66 N 6.74 0.53 0.00 2.98 3.52 -1.26 -4.89 118.95 126.57 2kz4 s ARG 66 Ca 1.04 -0.02 0.07 0.00 -0.13 0.00 0.00 55.73 56.69 2kz4 s ARG 66 Cb -0.48 -1.30 0.28 0.00 -1.56 0.00 0.00 34.95 31.89 2kz4 s ARG 66 CO 0.38 -0.42 1.21 1.63 -0.81 0.00 0.00 175.30 177.29 2kz4 n LYS 67 N 5.14 1.38 0.07 5.12 5.02 -1.26 -3.72 118.16 129.91 2kz4 n LYS 67 Ca -0.07 -0.58 0.11 0.00 -2.02 0.00 0.00 58.31 55.75 2kz4 n LYS 67 Cb 0.49 -1.16 -0.04 0.00 -0.02 0.00 0.00 35.03 34.30 2kz4 n LYS 67 CO 0.00 0.00 0.00 -3.47 -0.52 0.00 0.00 177.40 173.41 2kz4 n ASP 68 N -0.06 0.61 -4.78 4.39 2.03 -1.26 -4.90 116.55 112.58 2kz4 n ASP 68 Ca 0.07 0.21 -0.39 0.00 0.52 0.00 0.00 54.79 55.19 2kz4 n ASP 68 Cb 0.15 0.87 -0.06 0.00 -0.72 0.00 0.00 41.12 41.35 2kz4 n ASP 68 CO 0.00 0.00 0.00 -0.63 -1.92 0.00 0.00 177.20 174.65 2kz4 s ILE 69 N -3.39 4.38 0.25 5.18 -1.09 -1.24 -5.09 121.20 120.20 2kz4 s ILE 69 Ca -0.02 1.68 0.04 0.00 -2.23 0.00 0.00 60.65 60.12 2kz4 s ILE 69 Cb 0.11 -4.13 -0.05 0.00 -1.58 0.00 0.00 42.46 36.81 2kz4 s ILE 69 CO 0.82 0.52 0.01 0.21 -1.23 0.00 0.00 174.94 175.27 2kz4 s ASN 70 N -1.14 1.91 0.53 3.58 3.84 -1.26 -4.90 114.94 117.51 2kz4 s ASN 70 Ca 0.35 -1.25 0.29 0.00 0.21 0.00 0.00 52.86 52.47 2kz4 s ASN 70 Cb -0.23 -0.00 1.47 0.00 -0.55 0.00 0.00 41.25 41.94 2kz4 s ASN 70 CO 0.26 -0.53 2.06 0.00 -2.79 0.00 0.00 177.10 176.10 2kz4 h ALA 71 N 2.40 1.19 -0.27 1.71 0.00 -1.96 -2.86 119.26 119.48 2kz4 h ALA 71 Ca -0.39 -0.10 -0.22 0.00 0.00 0.00 0.00 54.91 54.21 2kz4 h ALA 71 Cb 1.23 -0.02 -0.09 0.00 0.00 0.00 0.00 17.79 18.91 2kz4 h ALA 71 CO 0.65 0.13 0.19 0.25 0.00 0.00 0.00 179.25 180.48 2kz4 n THR 72 N -3.50 2.58 -4.23 0.00 -2.24 -1.26 -4.71 114.28 100.93 2kz4 n THR 72 Ca -0.01 -1.37 -0.18 0.00 -2.27 0.00 0.00 64.05 60.21 2kz4 n THR 72 Cb 0.25 -1.48 -0.13 0.00 -2.10 0.00 0.00 70.33 66.87 2kz4 n THR 72 CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 2kz4 s SER 73 N 1.00 1.45 -0.20 3.42 0.01 -1.08 -2.81 113.70 115.49 2kz4 s SER 73 Ca 0.26 -0.50 -0.02 0.00 1.31 0.00 0.00 55.95 57.00 2kz4 s SER 73 Cb 0.18 -0.06 0.00 0.00 0.21 0.00 0.00 66.02 66.35 2kz4 s SER 73 CO -0.02 -0.04 -0.11 -0.13 0.41 0.00 0.00 173.24 173.34 2kz4 s ARG 74 N -1.35 3.23 -0.90 12.44 0.52 -0.41 -3.84 118.95 128.64 2kz4 s ARG 74 Ca -0.02 -0.71 -0.20 0.00 -0.52 0.00 0.00 55.73 54.29 2kz4 s ARG 74 Cb -0.09 -2.81 0.12 0.00 0.52 0.00 0.00 34.95 32.69 2kz4 s ARG 74 CO 0.01 -0.16 1.14 0.42 0.02 0.00 0.00 175.30 176.73 2kz4 s ILE 75 N 1.30 4.60 -0.26 1.52 -1.09 0.10 -1.12 121.20 126.26 2kz4 s ILE 75 Ca 0.04 -1.34 -0.19 0.00 -2.23 0.00 0.00 60.65 56.93 2kz4 s ILE 75 Cb -0.14 -4.79 -0.02 0.00 -1.58 0.00 0.00 42.46 35.92 2kz4 s ILE 75 CO -0.06 -1.54 0.56 -0.75 -1.23 0.00 0.00 174.94 171.92 2kz4 s LYS 76 N 3.09 4.09 -0.07 2.79 2.20 -0.57 -1.65 119.74 129.62 2kz4 s LYS 76 Ca 0.33 0.42 -0.30 0.00 -0.36 0.00 0.00 55.97 56.06 2kz4 s LYS 76 Cb -0.06 -3.65 -0.04 0.00 -1.51 0.00 0.00 37.83 32.57 2kz4 s LYS 76 CO -0.07 -0.37 1.41 0.08 -0.36 0.00 0.00 175.35 176.04 2kz4 s VAL 77 N 2.36 3.88 -0.04 4.02 1.01 -0.87 -0.53 120.40 130.24 2kz4 s VAL 77 Ca 0.23 1.16 0.11 0.00 0.00 0.00 0.00 61.98 63.48 2kz4 s VAL 77 Cb -0.16 -3.75 -0.23 0.00 0.00 0.00 0.00 36.38 32.25 2kz4 s VAL 77 CO 0.09 -0.06 0.69 0.28 0.00 0.00 0.00 175.10 176.10 2kz4 h SER 78 N 8.36 0.02 -2.70 3.32 0.02 -1.38 -1.72 113.55 119.47 2kz4 h SER 78 Ca -0.35 -0.05 -0.36 0.00 -0.84 0.00 0.00 61.79 60.20 2kz4 h SER 78 Cb 1.15 -0.01 -0.37 0.00 0.14 0.00 0.00 62.40 63.31 2kz4 h SER 78 CO 0.93 1.05 -0.66 -0.89 -1.14 0.00 0.00 176.83 176.12 2kz4 s THR 79 N -2.60 -0.25 -5.00 -2.27 2.01 -0.68 -4.73 115.64 102.11 2kz4 s THR 79 Ca -0.05 -0.11 0.00 0.00 0.31 0.00 0.00 61.69 61.84 2kz4 s THR 79 Cb 0.08 -0.63 0.00 0.00 0.01 0.00 0.00 72.50 71.96 2kz4 s THR 79 CO 0.82 -0.21 0.00 0.61 -0.69 0.00 0.00 174.62 175.15 2kz4 n GLY 80 N 5.31 -0.28 0.18 4.40 0.00 -1.26 -1.95 105.19 111.58 2kz4 n GLY 80 Ca -0.06 -1.55 0.03 0.00 0.00 0.00 0.00 46.02 44.44 2kz4 n GLY 80 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2kz4 h PRO 81 N 3.72 0.00 -0.70 1.61 0.13 -2.00 -2.82 132.00 131.94 2kz4 h PRO 81 Ca 0.00 0.00 -0.10 0.00 -0.87 0.00 0.00 66.00 65.03 2kz4 h PRO 81 Cb 0.00 0.00 -0.06 0.00 0.13 0.00 0.00 31.00 31.07 2kz4 h PRO 81 CO 0.00 0.42 0.13 1.28 -0.23 0.00 0.00 178.00 179.60 2kz4 n LEU 82 N -3.90 5.60 -4.69 1.56 4.77 -1.26 -4.98 117.00 114.10 2kz4 n LEU 82 Ca -0.01 -2.88 -0.42 0.00 -0.03 0.00 0.00 56.01 52.67 2kz4 n LEU 82 Cb 0.46 -0.70 -0.03 0.00 -2.33 0.00 0.00 43.42 40.82 2kz4 n LEU 82 CO 0.39 0.68 1.51 0.00 -1.33 0.00 0.00 177.39 178.64 2kz4 s ALA 83 N -2.71 3.74 0.00 -1.18 0.00 -1.07 -1.83 121.76 118.71 2kz4 s ALA 83 Ca 0.51 1.44 0.00 0.00 0.00 0.00 0.00 51.96 53.91 2kz4 s ALA 83 Cb 0.40 -3.78 0.00 0.00 0.00 0.00 0.00 23.12 19.73 2kz4 s ALA 83 CO 0.14 -1.29 0.00 0.41 0.00 0.00 0.00 175.76 175.01 2kz4 n GLY 84 N 4.31 3.01 3.83 0.00 0.00 -0.65 -5.00 105.19 110.68 2kz4 n GLY 84 Ca 0.18 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.84 2kz4 n GLY 84 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2kz4 s ARG 85 N -0.62 4.12 -0.47 1.61 0.52 -0.76 -4.96 118.95 118.38 2kz4 s ARG 85 Ca 0.00 0.66 -0.10 0.00 -0.52 0.00 0.00 55.73 55.77 2kz4 s ARG 85 Cb 0.00 -3.02 0.12 0.00 0.52 0.00 0.00 34.95 32.57 2kz4 s ARG 85 CO 0.00 0.51 0.36 0.54 0.02 0.00 0.00 175.30 176.73 2kz4 s VAL 86 N -1.36 4.33 -0.40 3.52 0.11 -1.26 -2.05 120.40 123.29 2kz4 s VAL 86 Ca 0.36 -1.72 -0.27 0.00 -2.93 0.00 0.00 61.98 57.43 2kz4 s VAL 86 Cb -0.17 -3.83 0.02 0.00 -1.53 0.00 0.00 36.38 30.87 2kz4 s VAL 86 CO 0.20 -0.76 0.97 -0.76 -3.33 0.00 0.00 175.10 171.41 2kz4 s LEU 87 N 1.40 3.94 0.17 2.54 2.01 -0.66 -4.22 118.68 123.85 2kz4 s LEU 87 Ca 0.05 0.52 -0.26 0.00 0.01 0.00 0.00 54.13 54.46 2kz4 s LEU 87 Cb -0.26 -3.32 -0.08 0.00 0.01 0.00 0.00 46.19 42.54 2kz4 s LEU 87 CO -0.00 -0.96 0.79 0.20 1.01 0.00 0.00 176.35 177.39 2kz4 s ASN 88 N 2.02 7.41 -0.51 2.29 0.02 0.43 0.01 114.94 126.61 2kz4 s ASN 88 Ca 0.40 1.66 -0.29 0.00 -1.02 0.00 0.00 52.86 53.62 2kz4 s ASN 88 Cb -0.11 -2.51 0.02 0.00 0.02 0.00 0.00 41.25 38.68 2kz4 s ASN 88 CO 0.22 0.20 1.25 -0.63 0.02 0.00 0.00 177.10 178.15 2kz4 s ILE 89 N -1.11 4.04 -1.26 0.60 1.01 -1.25 -1.99 121.20 121.23 2kz4 s ILE 89 Ca 0.36 1.00 -0.05 0.00 0.00 0.00 0.00 60.65 61.96 2kz4 s ILE 89 Cb -0.23 -4.54 0.17 0.00 0.01 0.00 0.00 42.46 37.86 2kz4 s ILE 89 CO 0.27 -1.08 2.20 2.30 0.00 0.00 0.00 174.94 178.63 2kz4 n ILE 90 N 6.85 5.30 0.00 2.92 -5.35 -1.08 -4.79 119.36 123.21 2kz4 n ILE 90 Ca 0.12 -4.67 0.00 0.00 -0.27 0.00 0.00 62.75 57.92 2kz4 n ILE 90 Cb 0.49 -2.02 0.00 0.00 -1.74 0.00 0.00 39.64 36.37 2kz4 n ILE 90 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2kz4 n GLY 91 N 1.53 -0.45 3.28 3.28 0.00 -1.26 -4.86 105.19 106.71 2kz4 n GLY 91 Ca 0.56 0.02 -0.13 0.00 0.00 0.00 0.00 46.02 46.47 2kz4 n GLY 91 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 2kz4 s GLN 92 N 0.00 0.56 -0.17 1.61 -2.07 -1.26 -4.78 119.66 113.54 2kz4 s GLN 92 Ca 0.00 0.28 -0.29 0.00 -1.82 0.00 0.00 55.36 53.54 2kz4 s GLN 92 Cb 0.00 0.26 -0.06 0.00 -1.09 0.00 0.00 33.01 32.12 2kz4 s GLN 92 CO 0.00 -0.11 2.18 -0.35 -1.32 0.00 0.00 175.29 175.69 2kz4 n PRO 93 N 2.24 2.11 -4.04 9.60 -0.04 -1.26 -4.69 135.00 138.92 2kz4 n PRO 93 Ca -0.16 0.62 -0.34 0.00 -0.04 0.00 0.00 63.50 63.59 2kz4 n PRO 93 Cb 0.57 -3.18 -0.15 0.00 -0.04 0.00 0.00 33.50 30.70 2kz4 n PRO 93 CO 0.00 0.00 0.00 -1.17 -0.04 0.00 0.00 175.50 174.29 2kz4 s LEU 94 N 7.59 2.70 0.82 1.53 1.98 -0.88 -4.96 118.68 127.45 2kz4 s LEU 94 Ca 0.99 -0.77 -0.11 0.00 -2.89 0.00 0.00 54.13 51.35 2kz4 s LEU 94 Cb -0.37 -1.58 0.09 0.00 0.66 0.00 0.00 46.19 44.99 2kz4 s LEU 94 CO 0.37 -0.06 1.14 -2.16 -1.89 0.00 0.00 176.35 173.74 2kz4 s PRO 95 N 1.30 1.76 0.46 0.98 0.04 -1.26 -1.10 135.00 137.18 2kz4 s PRO 95 Ca 0.02 1.45 -0.08 0.00 0.04 0.00 0.00 61.00 62.43 2kz4 s PRO 95 Cb -0.15 -1.82 0.11 0.00 0.04 0.00 0.00 34.50 32.68 2kz4 s PRO 95 CO -0.08 -2.06 0.61 -0.40 0.04 0.00 0.00 177.00 175.10 2kz4 n ASP 96 N -3.60 -0.09 -0.04 6.66 5.75 -1.06 -4.73 116.55 119.44 2kz4 n ASP 96 Ca 0.11 -1.19 -0.13 0.00 -0.01 0.00 0.00 54.79 53.58 2kz4 n ASP 96 Cb 0.52 -0.47 -0.08 0.00 -1.03 0.00 0.00 41.12 40.06 2kz4 n ASP 96 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2kz4 h ALA 97 N -1.94 0.14 0.00 2.12 0.00 -1.97 -3.21 119.26 114.39 2kz4 h ALA 97 Ca -0.20 -0.24 0.00 0.00 0.00 0.00 0.00 54.91 54.47 2kz4 h ALA 97 Cb 0.55 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.31 2kz4 h ALA 97 CO 0.14 -0.10 0.00 0.00 0.00 0.00 0.00 179.25 179.29 2kz4 n ALA 98 N -2.34 2.38 -1.11 0.00 0.00 -1.26 -4.91 120.51 113.26 2kz4 n ALA 98 Ca -0.07 -0.12 -0.04 0.00 0.00 0.00 0.00 53.44 53.22 2kz4 n ALA 98 Cb 0.26 -1.47 -0.02 0.00 0.00 0.00 0.00 19.45 18.22 2kz4 n ALA 98 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 2kz4 n ARG 99 N -1.40 -0.76 0.00 0.00 3.00 -1.21 -4.90 116.66 111.39 2kz4 n ARG 99 Ca 0.10 0.48 0.15 0.00 -0.00 0.00 0.00 57.85 58.58 2kz4 n ARG 99 Cb 0.29 -4.23 0.68 0.00 0.00 0.00 0.00 32.46 29.20 2kz4 n ARG 99 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.63 175.26 2kz4 n THR 100 N -2.64 0.00 -3.50 5.15 5.66 -1.26 -4.79 114.28 112.89 2kz4 n THR 100 Ca -0.04 -0.10 -0.10 0.00 -3.05 0.00 0.00 64.05 60.76 2kz4 n THR 100 Cb 0.25 -0.02 -0.02 0.00 -1.55 0.00 0.00 70.33 68.99 2kz4 n THR 100 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 2kz4 s ARG 101 N -2.17 1.12 -0.38 1.09 1.70 -1.26 -4.31 118.95 114.73 2kz4 s ARG 101 Ca 0.38 -0.45 -0.10 0.00 -0.47 0.00 0.00 55.73 55.09 2kz4 s ARG 101 Cb 0.21 0.49 0.04 0.00 -0.57 0.00 0.00 34.95 35.12 2kz4 s ARG 101 CO 0.40 -0.49 0.20 -1.17 -1.08 0.00 0.00 175.30 173.15 2kz4 s LEU 102 N -2.66 4.73 -0.46 -1.89 1.98 0.04 -2.57 118.68 117.84 2kz4 s LEU 102 Ca 0.04 -1.11 -0.21 0.00 -2.89 0.00 0.00 54.13 49.95 2kz4 s LEU 102 Cb -0.01 -1.99 0.03 0.00 0.66 0.00 0.00 46.19 44.88 2kz4 s LEU 102 CO -0.09 -0.40 0.71 -0.70 -1.89 0.00 0.00 176.35 173.98 2kz4 s GLU 103 N 1.50 3.29 0.19 1.98 2.12 -0.26 -2.34 118.70 125.18 2kz4 s GLU 103 Ca 0.01 -0.37 -0.16 0.00 0.36 0.00 0.00 54.97 54.82 2kz4 s GLU 103 Cb -0.20 -3.98 -0.08 0.00 0.26 0.00 0.00 34.13 30.14 2kz4 s GLU 103 CO 0.05 -1.12 0.62 0.42 -0.54 0.00 0.00 175.26 174.69 2kz4 s ILE 104 N 3.04 4.75 -0.08 -3.70 -1.09 0.08 -2.08 121.20 122.14 2kz4 s ILE 104 Ca 0.24 0.97 0.05 0.00 -2.23 0.00 0.00 60.65 59.69 2kz4 s ILE 104 Cb -0.14 -3.76 -0.01 0.00 -1.58 0.00 0.00 42.46 36.97 2kz4 s ILE 104 CO 0.19 0.19 -0.24 -1.48 -1.23 0.00 0.00 174.94 172.37 2kz4 s LEU 105 N -2.08 2.06 0.33 2.97 2.34 -1.26 -1.32 118.68 121.72 2kz4 s LEU 105 Ca 0.41 -0.52 -0.11 0.00 0.06 0.00 0.00 54.13 53.97 2kz4 s LEU 105 Cb -0.15 -1.36 0.02 0.00 -0.56 0.00 0.00 46.19 44.14 2kz4 s LEU 105 CO 0.20 0.20 0.60 0.00 -1.06 0.00 0.00 176.35 176.28 2kz4 s ARG 107 N -3.15 1.33 0.64 0.00 1.70 -0.84 -0.15 118.95 118.47 2kz4 s ARG 107 Ca 0.22 -0.67 -0.14 0.00 -0.47 0.00 0.00 55.73 54.67 2kz4 s ARG 107 Cb -0.02 0.49 -0.01 0.00 -0.57 0.00 0.00 34.95 34.84 2kz4 s ARG 107 CO 0.13 -0.60 1.07 -1.21 -1.08 0.00 0.00 175.30 173.61 2kz4 s GLU 108 N -3.53 3.07 -0.39 3.89 8.01 -1.26 -0.43 118.70 128.06 2kz4 s GLU 108 Ca 0.09 1.19 0.07 0.00 0.01 0.00 0.00 54.97 56.32 2kz4 s GLU 108 Cb -0.03 -2.00 0.66 0.00 -4.31 0.00 0.00 34.13 28.45 2kz4 s GLU 108 CO -0.01 -1.01 1.80 0.41 0.01 0.00 0.00 175.26 176.46 2kz4 n GLY 109 N -1.11 4.36 1.24 -1.39 0.00 -1.26 -4.37 105.19 102.67 2kz4 n GLY 109 Ca 0.09 -1.09 -0.02 0.00 0.00 0.00 0.00 46.02 45.00 2kz4 n GLY 109 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2kz4 n ALA 110 N -0.89 0.18 0.24 4.61 0.00 -1.26 -5.00 120.51 118.40 2kz4 n ALA 110 Ca 0.50 -0.31 0.15 0.00 0.00 0.00 0.00 53.44 53.78 2kz4 n ALA 110 Cb 1.48 -0.43 0.80 0.00 0.00 0.00 0.00 19.45 21.30 2kz4 n ALA 110 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 177.50 178.55 2kz4 h GLU 111 N 0.17 0.00 0.00 0.00 9.09 -1.98 -3.53 114.58 118.33 2kz4 h GLU 111 Ca -0.19 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.22 2kz4 h GLU 111 Cb 0.96 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.06 2kz4 h GLU 111 CO -0.09 0.00 0.00 1.63 0.05 0.00 0.00 179.01 180.60