#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 2.47 0.00 7.83 3.84 -1.26 -4.88 114.94 122.94 2kz4 s ASN 2 Ca 0.00 -0.74 0.00 0.00 0.21 0.00 0.00 52.86 52.33 2kz4 s ASN 2 Cb 0.00 -0.12 0.00 0.00 -0.55 0.00 0.00 41.25 40.58 2kz4 s ASN 2 CO 0.00 -0.37 0.00 -0.38 -2.79 0.00 0.00 177.10 173.56 2kz4 n ILE 3 N 5.28 0.00 -1.33 -5.21 5.41 -1.26 -4.84 119.36 117.41 2kz4 n ILE 3 Ca -0.06 0.00 -0.29 0.00 1.00 0.00 0.00 62.75 63.40 2kz4 n ILE 3 Cb 0.47 0.00 -0.08 0.00 -0.71 0.00 0.00 39.64 39.32 2kz4 n ILE 3 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 2kz4 n GLY 4 N -0.10 3.98 0.14 7.39 0.00 -1.26 -4.25 105.19 111.09 2kz4 n GLY 4 Ca 0.00 -1.53 0.13 0.00 0.00 0.00 0.00 46.02 44.61 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 4.03 0.00 -5.42 1.61 2.47 -1.95 -3.47 114.38 111.65 2kz4 h ARG 5 Ca 0.56 0.00 -0.62 0.00 -1.26 0.00 0.00 59.98 58.66 2kz4 h ARG 5 Cb 0.75 0.00 -0.13 0.00 -1.65 0.00 0.00 29.97 28.94 2kz4 h ARG 5 CO 1.11 0.00 0.07 -0.51 0.56 0.00 0.00 179.97 181.20 2kz4 s LEU 6 N -5.05 4.14 0.00 3.04 1.43 -1.26 -4.91 118.68 116.07 2kz4 s LEU 6 Ca 0.08 0.39 0.05 0.00 -1.03 0.00 0.00 54.13 53.62 2kz4 s LEU 6 Cb 0.10 -2.74 0.05 0.00 0.03 0.00 0.00 46.19 43.64 2kz4 s LEU 6 CO 0.65 -0.42 0.73 0.54 0.23 0.00 0.00 176.35 178.07 2kz4 n ARG 7 N 5.76 0.23 -2.36 1.70 1.74 -1.02 -4.67 116.66 118.04 2kz4 n ARG 7 Ca -0.02 -0.95 -0.08 0.00 -0.77 0.00 0.00 57.85 56.03 2kz4 n ARG 7 Cb 0.49 -1.10 -0.01 0.00 -1.02 0.00 0.00 32.46 30.83 2kz4 n ARG 7 CO 0.00 0.00 0.00 -0.25 -1.52 0.00 0.00 177.63 175.86 2kz4 n ASP 8 N 0.21 1.82 -4.03 0.55 8.00 0.56 -4.99 116.55 118.67 2kz4 n ASP 8 Ca 0.03 -1.54 -0.08 0.00 0.71 0.00 0.00 54.79 53.91 2kz4 n ASP 8 Cb 0.15 0.03 -0.10 0.00 -0.02 0.00 0.00 41.12 41.18 2kz4 n ASP 8 CO 0.00 0.00 0.00 -0.13 -0.39 0.00 0.00 177.20 176.68 2kz4 s ARG 9 N -2.56 0.52 -0.02 -1.24 0.52 -1.24 -1.92 118.95 113.02 2kz4 s ARG 9 Ca 0.05 -0.97 0.01 0.00 -0.52 0.00 0.00 55.73 54.30 2kz4 s ARG 9 Cb -0.00 0.18 0.01 0.00 0.52 0.00 0.00 34.95 35.66 2kz4 s ARG 9 CO 0.03 -0.10 -0.02 0.96 0.02 0.00 0.00 175.30 176.19 2kz4 s ILE 10 N -2.98 0.25 -0.38 1.52 -0.00 -0.86 -2.11 121.20 116.64 2kz4 s ILE 10 Ca -0.02 -0.05 -0.21 0.00 -0.00 0.00 0.00 60.65 60.37 2kz4 s ILE 10 Cb 0.01 -0.27 0.01 0.00 -0.00 0.00 0.00 42.46 42.21 2kz4 s ILE 10 CO -0.07 0.11 0.68 -0.89 -0.00 0.00 0.00 174.94 174.78 2kz4 s THR 11 N 0.41 4.83 -0.52 8.37 2.01 0.29 -2.30 115.64 128.73 2kz4 s THR 11 Ca -0.04 0.57 -0.28 0.00 0.31 0.00 0.00 61.69 62.25 2kz4 s THR 11 Cb -0.07 -4.14 0.00 0.00 0.01 0.00 0.00 72.50 68.30 2kz4 s THR 11 CO -0.01 -0.41 1.54 -0.63 -0.69 0.00 0.00 174.62 174.41 2kz4 s ILE 12 N 2.86 3.69 -0.59 1.82 -1.09 -0.70 -1.42 121.20 125.77 2kz4 s ILE 12 Ca 0.26 0.60 -0.27 0.00 -2.23 0.00 0.00 60.65 59.01 2kz4 s ILE 12 Cb -0.14 -4.23 -0.00 0.00 -1.58 0.00 0.00 42.46 36.50 2kz4 s ILE 12 CO 0.17 -0.99 1.66 -1.10 -1.23 0.00 0.00 174.94 173.44 2kz4 s GLN 13 N 5.71 2.95 0.05 2.79 -0.21 -0.07 -0.37 119.66 130.51 2kz4 s GLN 13 Ca 0.59 0.53 -0.27 0.00 0.02 0.00 0.00 55.36 56.23 2kz4 s GLN 13 Cb -0.13 -4.27 -0.05 0.00 1.00 0.00 0.00 33.01 29.56 2kz4 s GLN 13 CO 0.26 -2.36 0.84 0.99 -2.12 0.00 0.00 175.29 172.91 2kz4 s THR 14 N 7.60 4.71 -0.81 -0.19 2.01 -0.52 -2.33 115.64 126.11 2kz4 s THR 14 Ca 0.60 1.79 -0.25 0.00 0.31 0.00 0.00 61.69 64.14 2kz4 s THR 14 Cb -0.12 -4.19 0.05 0.00 0.01 0.00 0.00 72.50 68.24 2kz4 s THR 14 CO 0.22 0.32 1.26 -0.22 -0.69 0.00 0.00 174.62 175.51 2kz4 s LEU 15 N 0.16 3.59 -0.68 4.42 2.96 -1.26 -2.55 118.68 125.32 2kz4 s LEU 15 Ca 0.42 -0.91 -0.27 0.00 -0.22 0.00 0.00 54.13 53.16 2kz4 s LEU 15 Cb -0.21 -2.53 0.03 0.00 0.50 0.00 0.00 46.19 43.99 2kz4 s LEU 15 CO 0.25 -1.63 1.22 -0.75 -1.32 0.00 0.00 176.35 174.11 2kz4 s LYS 16 N 5.05 3.29 -0.70 1.98 2.36 0.39 -4.87 119.74 127.24 2kz4 s LYS 16 Ca 0.35 -0.12 -0.26 0.00 -2.55 0.00 0.00 55.97 53.39 2kz4 s LYS 16 Cb -0.07 -4.12 0.04 0.00 -1.05 0.00 0.00 37.83 32.62 2kz4 s LYS 16 CO 0.06 -1.95 1.20 -0.65 1.55 0.00 0.00 175.35 175.56 2kz4 s GLN 17 N 5.30 3.22 0.73 4.03 -0.21 -1.26 -1.46 119.66 130.01 2kz4 s GLN 17 Ca 0.36 -0.30 -0.00 0.00 0.02 0.00 0.00 55.36 55.45 2kz4 s GLN 17 Cb -0.09 -4.16 0.14 0.00 1.00 0.00 0.00 33.01 29.90 2kz4 s GLN 17 CO 0.18 -2.00 1.01 0.99 -2.12 0.00 0.00 175.29 173.35 2kz4 s THR 18 N 5.26 2.07 0.23 -0.19 2.01 -0.45 -4.89 115.64 119.68 2kz4 s THR 18 Ca 0.33 -0.62 0.04 0.00 0.31 0.00 0.00 61.69 61.76 2kz4 s THR 18 Cb -0.10 -2.45 -0.05 0.00 0.01 0.00 0.00 72.50 69.91 2kz4 s THR 18 CO 0.15 0.00 -0.02 -0.60 -0.69 0.00 0.00 174.62 173.46 2kz4 s ARG 19 N -5.16 1.36 0.26 4.92 3.52 -1.26 -0.42 118.95 122.17 2kz4 s ARG 19 Ca 0.67 -1.68 0.07 0.00 -0.13 0.00 0.00 55.73 54.67 2kz4 s ARG 19 Cb -0.05 -0.72 -0.04 0.00 -1.56 0.00 0.00 34.95 32.59 2kz4 s ARG 19 CO 0.45 -0.06 0.17 0.34 -0.81 0.00 0.00 175.30 175.39 2kz4 s ASP 20 N -3.32 5.35 0.40 -2.12 2.15 -0.05 -4.72 116.67 114.36 2kz4 s ASP 20 Ca 0.28 -0.33 0.21 0.00 0.43 0.00 0.00 52.55 53.14 2kz4 s ASP 20 Cb 0.05 -1.30 1.14 0.00 -0.30 0.00 0.00 42.92 42.51 2kz4 s ASP 20 CO 0.09 -0.04 1.60 -0.29 -0.17 0.00 0.00 175.17 176.35 2kz4 h ILE 21 N 1.55 0.00 -0.02 4.11 2.10 -2.02 -0.82 117.51 122.40 2kz4 h ILE 21 Ca -0.48 0.00 0.00 0.00 1.08 0.00 0.00 64.86 65.46 2kz4 h ILE 21 Cb 1.24 0.46 0.00 0.00 -1.09 0.00 0.00 36.82 37.44 2kz4 h ILE 21 CO 0.61 0.00 -0.27 0.35 -1.08 0.00 0.00 178.15 177.76 2kz4 n THR 22 N -2.32 0.00 -1.65 2.19 -2.24 -1.26 -4.98 114.28 104.02 2kz4 n THR 22 Ca -0.01 -0.33 0.00 0.00 -2.27 0.00 0.00 64.05 61.43 2kz4 n THR 22 Cb 0.21 1.24 0.00 0.00 -2.10 0.00 0.00 70.33 69.68 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 1.38 0.63 3.10 3.38 0.00 -0.31 -5.11 105.19 108.26 2kz4 n GLY 23 Ca 0.12 -0.39 -0.20 0.00 0.00 0.00 0.00 46.02 45.54 2kz4 n GLY 23 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 2kz4 s GLU 24 N -3.31 0.95 -0.46 1.61 -1.05 -1.26 -4.92 118.70 110.26 2kz4 s GLU 24 Ca 0.00 -0.56 -0.29 0.00 -0.15 0.00 0.00 54.97 53.97 2kz4 s GLU 24 Cb 0.00 -0.93 0.02 0.00 -0.44 0.00 0.00 34.13 32.79 2kz4 s GLU 24 CO 0.00 0.24 1.21 0.42 0.95 0.00 0.00 175.26 178.09 2kz4 s ILE 25 N -0.52 4.12 -0.78 1.83 -1.09 -1.26 -0.87 121.20 122.63 2kz4 s ILE 25 Ca 0.03 1.13 -0.16 0.00 -2.23 0.00 0.00 60.65 59.42 2kz4 s ILE 25 Cb -0.06 -4.50 0.17 0.00 -1.58 0.00 0.00 42.46 36.48 2kz4 s ILE 25 CO 0.00 -0.95 0.82 -0.76 -1.23 0.00 0.00 174.94 172.82 2kz4 s LEU 26 N 4.74 6.00 0.03 2.97 1.43 0.44 -4.90 118.68 129.39 2kz4 s LEU 26 Ca 0.52 -2.19 -0.29 0.00 -1.03 0.00 0.00 54.13 51.14 2kz4 s LEU 26 Cb -0.09 -2.28 -0.04 0.00 0.03 0.00 0.00 46.19 43.82 2kz4 s LEU 26 CO 0.32 -0.84 0.94 -1.61 0.23 0.00 0.00 176.35 175.39 2kz4 s GLU 27 N 1.45 4.59 0.06 1.70 2.02 -1.26 -1.34 118.70 125.92 2kz4 s GLU 27 Ca 0.19 1.36 -0.00 0.00 0.02 0.00 0.00 54.97 56.54 2kz4 s GLU 27 Cb -0.13 -3.43 -0.04 0.00 0.10 0.00 0.00 34.13 30.63 2kz4 s GLU 27 CO -0.05 0.06 -0.04 0.95 0.02 0.00 0.00 175.26 176.20 2kz4 s THR 28 N 0.62 0.34 -0.22 3.63 -4.23 -0.53 -4.95 115.64 110.30 2kz4 s THR 28 Ca 0.48 -1.82 -0.04 0.00 -1.18 0.00 0.00 61.69 59.13 2kz4 s THR 28 Cb -0.21 -1.54 -0.01 0.00 1.34 0.00 0.00 72.50 72.08 2kz4 s THR 28 CO 0.27 -0.96 -0.04 0.26 -0.54 0.00 0.00 174.62 173.62 2kz4 s TRP 29 N -3.80 2.96 0.24 3.99 0.52 -1.26 -0.46 118.94 121.13 2kz4 s TRP 29 Ca 0.08 -0.89 0.05 0.00 0.02 0.00 0.00 56.10 55.36 2kz4 s TRP 29 Cb 0.07 -2.10 -0.05 0.00 -1.15 0.00 0.00 33.47 30.23 2kz4 s TRP 29 CO -0.09 -0.52 -0.05 -1.83 0.02 0.00 0.00 176.95 174.48 2kz4 s GLU 30 N 1.44 1.41 0.26 4.98 -1.05 -1.06 -4.99 118.70 119.70 2kz4 s GLU 30 Ca 0.05 -1.70 -0.29 0.00 -0.15 0.00 0.00 54.97 52.88 2kz4 s GLU 30 Cb -0.14 -0.92 -0.09 0.00 -0.44 0.00 0.00 34.13 32.53 2kz4 s GLU 30 CO -0.03 0.01 1.15 0.16 0.95 0.00 0.00 175.26 177.50 2kz4 s ASP 31 N -3.36 7.16 0.00 0.83 -4.77 -1.26 -1.44 116.67 113.84 2kz4 s ASP 31 Ca 0.27 2.31 0.00 0.00 -3.30 0.00 0.00 52.55 51.83 2kz4 s ASP 31 Cb 0.04 -2.62 0.00 0.00 -1.09 0.00 0.00 42.92 39.24 2kz4 s ASP 31 CO 0.09 -0.25 0.00 0.61 0.70 0.00 0.00 175.17 176.32 2kz4 n GLY 32 N 1.41 1.16 3.47 2.12 0.00 0.51 -4.75 105.19 109.10 2kz4 n GLY 32 Ca 0.00 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.69 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 1.74 2.98 -0.57 1.61 3.76 -1.24 -4.86 115.29 118.71 2kz4 s HIS 33 Ca 0.00 -0.39 -0.09 0.00 -0.15 0.00 0.00 55.06 54.43 2kz4 s HIS 33 Cb 0.00 -1.95 0.15 0.00 1.11 0.00 0.00 32.58 31.89 2kz4 s HIS 33 CO 0.00 -0.09 0.45 0.99 -0.85 0.00 0.00 174.74 175.24 2kz4 s THR 34 N 0.42 4.40 0.45 1.30 2.01 -1.26 -1.72 115.64 121.25 2kz4 s THR 34 Ca -0.05 -2.15 0.07 0.00 0.31 0.00 0.00 61.69 59.87 2kz4 s THR 34 Cb -0.15 -3.85 -0.01 0.00 0.01 0.00 0.00 72.50 68.51 2kz4 s THR 34 CO 0.03 -0.85 0.38 -1.48 -0.69 0.00 0.00 174.62 172.02 2kz4 s LEU 35 N 0.85 3.22 0.13 4.42 2.34 -0.97 -4.84 118.68 123.83 2kz4 s LEU 35 Ca 0.10 -0.88 -0.31 0.00 0.06 0.00 0.00 54.13 53.10 2kz4 s LEU 35 Cb -0.22 -1.82 -0.09 0.00 -0.56 0.00 0.00 46.19 43.51 2kz4 s LEU 35 CO -0.03 -0.76 1.46 0.26 -1.06 0.00 0.00 176.35 176.22 2kz4 s TRP 36 N -2.55 3.17 0.25 3.48 0.23 -1.26 -2.02 118.94 120.24 2kz4 s TRP 36 Ca 0.46 0.82 -0.03 0.00 -2.03 0.00 0.00 56.10 55.31 2kz4 s TRP 36 Cb -0.02 -3.78 -0.02 0.00 0.03 0.00 0.00 33.47 29.67 2kz4 s TRP 36 CO 0.27 -2.80 0.30 0.00 0.96 0.00 0.00 176.95 175.68 2kz4 s ALA 37 N 1.13 0.80 -0.23 0.98 0.00 -0.81 -3.61 121.76 120.03 2kz4 s ALA 37 Ca 0.67 -1.49 -0.00 0.00 0.00 0.00 0.00 51.96 51.13 2kz4 s ALA 37 Cb -0.40 1.28 0.06 0.00 0.00 0.00 0.00 23.12 24.06 2kz4 s ALA 37 CO 0.31 -0.70 -0.02 -1.12 0.00 0.00 0.00 175.76 174.22 2kz4 s SER 38 N -3.16 3.61 -0.59 0.00 0.01 -0.32 -0.32 113.70 112.93 2kz4 s SER 38 Ca 0.33 -1.10 -0.15 0.00 1.31 0.00 0.00 55.95 56.34 2kz4 s SER 38 Cb 0.03 -1.02 0.15 0.00 0.21 0.00 0.00 66.02 65.39 2kz4 s SER 38 CO 0.15 -0.26 0.53 0.54 0.41 0.00 0.00 173.24 174.61 2kz4 s VAL 39 N 1.52 5.17 -0.27 3.43 0.11 -1.26 -2.15 120.40 126.95 2kz4 s VAL 39 Ca -0.04 -1.73 -0.04 0.00 -2.93 0.00 0.00 61.98 57.24 2kz4 s VAL 39 Cb -0.18 -4.30 0.02 0.00 -1.53 0.00 0.00 36.38 30.39 2kz4 s VAL 39 CO -0.07 -0.89 -0.01 0.20 -3.33 0.00 0.00 175.10 171.00 2kz4 s ASN 40 N 3.20 4.63 0.25 3.54 0.02 0.33 -4.75 114.94 122.17 2kz4 s ASN 40 Ca 0.06 -0.79 -0.30 0.00 -1.02 0.00 0.00 52.86 50.81 2kz4 s ASN 40 Cb -0.26 -1.75 -0.11 0.00 0.02 0.00 0.00 41.25 39.15 2kz4 s ASN 40 CO 0.00 -0.15 1.56 -0.04 0.02 0.00 0.00 177.10 178.50 2kz4 s MET 41 N 1.40 4.18 0.65 -0.60 -1.94 -1.26 -0.88 119.30 120.84 2kz4 s MET 41 Ca 0.01 2.47 -0.16 0.00 -1.71 0.00 0.00 55.69 56.30 2kz4 s MET 41 Cb -0.17 -3.07 -0.01 0.00 2.01 0.00 0.00 34.83 33.59 2kz4 s MET 41 CO -0.02 -0.58 1.14 0.14 -0.01 0.00 0.00 175.02 175.69 2kz4 s VAL 42 N 0.29 3.00 0.76 -6.03 -7.23 -0.22 -4.82 120.40 106.14 2kz4 s VAL 42 Ca 0.64 0.51 -0.08 0.00 -1.81 0.00 0.00 61.98 61.24 2kz4 s VAL 42 Cb -0.46 -3.07 0.09 0.00 0.56 0.00 0.00 36.38 33.50 2kz4 s VAL 42 CO 0.42 -0.24 1.08 -0.44 -0.31 0.00 0.00 175.10 175.61 2kz4 s SER 43 N -2.25 4.48 0.56 4.85 0.01 -1.26 -4.73 113.70 115.37 2kz4 s SER 43 Ca 0.70 0.42 0.24 0.00 1.31 0.00 0.00 55.95 58.62 2kz4 s SER 43 Cb -0.24 -0.93 1.59 0.00 0.21 0.00 0.00 66.02 66.66 2kz4 s SER 43 CO 0.39 -1.83 2.21 0.77 0.41 0.00 0.00 173.24 175.18 2kz4 h SER 44 N -0.82 0.00 -0.76 2.44 4.64 -1.96 -2.42 113.55 114.67 2kz4 h SER 44 Ca -0.44 0.00 0.17 0.00 -0.47 0.00 0.00 61.79 61.05 2kz4 h SER 44 Cb 1.30 0.00 -0.12 0.00 -0.31 0.00 0.00 62.40 63.27 2kz4 h SER 44 CO 0.56 0.01 0.13 0.50 -0.87 0.00 0.00 176.83 177.17 2kz4 h LYS 45 N 0.00 0.20 -0.54 4.77 1.63 -1.99 -1.14 116.57 119.50 2kz4 h LYS 45 Ca -0.00 -0.01 -0.12 0.00 -0.85 0.00 0.00 60.65 59.67 2kz4 h LYS 45 Cb 0.01 -0.05 -0.02 0.00 -0.60 0.00 0.00 32.23 31.58 2kz4 h LYS 45 CO 0.00 0.13 -0.11 0.93 -3.45 0.00 0.00 179.45 176.95 2kz4 h GLU 46 N 0.21 1.02 0.12 1.90 4.39 -1.81 -1.36 114.58 119.05 2kz4 h GLU 46 Ca 0.43 -0.38 -0.01 0.00 0.34 0.00 0.00 59.36 59.75 2kz4 h GLU 46 Cb 0.77 -0.06 0.00 0.00 -0.10 0.00 0.00 28.75 29.36 2kz4 h GLU 46 CO -0.58 1.07 -0.06 0.00 -1.16 0.00 0.00 179.01 178.28 2kz4 h ALA 47 N 0.95 -0.16 0.05 3.43 0.00 -1.54 -2.43 119.26 119.56 2kz4 h ALA 47 Ca 0.14 -0.16 0.02 0.00 0.00 0.00 0.00 54.91 54.91 2kz4 h ALA 47 Cb 0.68 0.06 -0.03 0.00 0.00 0.00 0.00 17.79 18.50 2kz4 h ALA 47 CO 0.05 -0.44 -0.16 0.82 0.00 0.00 0.00 179.25 179.51 2kz4 h ILE 48 N -0.45 0.61 0.00 0.00 2.04 -1.18 0.43 117.51 118.96 2kz4 h ILE 48 Ca -0.02 0.00 -0.08 0.00 1.00 0.00 0.00 64.86 65.76 2kz4 h ILE 48 Cb 0.37 0.61 -0.01 0.00 -0.74 0.00 0.00 36.82 37.05 2kz4 h ILE 48 CO 0.03 0.00 -0.38 0.28 0.00 0.00 0.00 178.15 178.08 2kz4 h SER 49 N -0.30 0.00 0.28 1.72 0.02 -1.33 -2.18 113.55 111.77 2kz4 h SER 49 Ca 0.04 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.99 2kz4 h SER 49 Cb 0.34 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.88 2kz4 h SER 49 CO -0.12 0.38 -0.49 -1.20 -1.14 0.00 0.00 176.83 174.26 2kz4 n SER 50 N -3.58 0.93 0.00 3.07 7.64 -0.92 -5.02 113.62 115.75 2kz4 n SER 50 Ca -0.00 -0.72 0.00 0.00 1.01 0.00 0.00 58.87 59.15 2kz4 n SER 50 Cb 0.50 0.35 0.00 0.00 -1.01 0.00 0.00 64.21 64.05 2kz4 n SER 50 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2kz4 n GLY 51 N 1.44 1.73 0.00 0.23 0.00 0.13 -2.06 105.19 106.66 2kz4 n GLY 51 Ca 0.08 0.18 0.00 0.00 0.00 0.00 0.00 46.02 46.28 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 2.41 1.68 0.05 4.61 0.00 -1.26 -4.62 120.51 123.38 2kz4 n ALA 52 Ca 0.00 -0.16 -0.13 0.00 0.00 0.00 0.00 53.44 53.16 2kz4 n ALA 52 Cb 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 19.45 19.36 2kz4 n ALA 52 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 2kz4 h GLU 53 N 0.00 -0.13 -6.24 0.00 4.57 -1.73 -3.43 114.58 107.62 2kz4 h GLU 53 Ca 0.00 0.01 -0.57 0.00 -1.18 0.00 0.00 59.36 57.62 2kz4 h GLU 53 Cb 0.05 0.03 -0.08 0.00 -0.16 0.00 0.00 28.75 28.59 2kz4 h GLU 53 CO 0.00 0.19 -0.59 -0.51 -1.18 0.00 0.00 179.01 176.92 2kz4 s LEU 54 N -9.54 3.61 0.34 1.64 1.43 -1.26 -5.12 118.68 109.78 2kz4 s LEU 54 Ca -0.15 -0.27 0.05 0.00 -1.03 0.00 0.00 54.13 52.74 2kz4 s LEU 54 Cb 0.03 -2.21 -0.03 0.00 0.03 0.00 0.00 46.19 44.00 2kz4 s LEU 54 CO 0.63 0.05 0.21 0.00 0.23 0.00 0.00 176.35 177.47 2kz4 s ALA 55 N -1.84 2.17 0.07 4.21 0.00 -1.26 -4.36 121.76 120.75 2kz4 s ALA 55 Ca 0.30 -1.74 -0.24 0.00 0.00 0.00 0.00 51.96 50.28 2kz4 s ALA 55 Cb -0.09 1.20 -0.06 0.00 0.00 0.00 0.00 23.12 24.17 2kz4 s ALA 55 CO 0.22 -0.54 0.72 0.42 0.00 0.00 0.00 175.76 176.58 2kz4 s ILE 56 N -3.44 4.66 0.00 0.00 1.01 -1.26 -3.41 121.20 118.76 2kz4 s ILE 56 Ca 0.35 1.54 0.00 0.00 0.00 0.00 0.00 60.65 62.54 2kz4 s ILE 56 Cb 0.03 -4.07 0.00 0.00 0.01 0.00 0.00 42.46 38.43 2kz4 s ILE 56 CO 0.21 0.44 0.00 0.61 0.00 0.00 0.00 174.94 176.20 2kz4 n GLY 57 N 2.11 0.70 3.77 6.18 0.00 -1.26 -5.08 105.19 111.61 2kz4 n GLY 57 Ca -0.05 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.60 2kz4 n GLY 57 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2kz4 s THR 58 N -2.06 3.20 -0.08 2.61 2.01 -1.22 -2.83 115.64 117.28 2kz4 s THR 58 Ca 0.00 0.96 0.03 0.00 0.31 0.00 0.00 61.69 62.98 2kz4 s THR 58 Cb 0.00 -3.51 0.01 0.00 0.01 0.00 0.00 72.50 69.01 2kz4 s THR 58 CO 0.00 0.04 -0.16 -0.69 -0.69 0.00 0.00 174.62 173.13 2kz4 s VAL 59 N -1.49 1.40 -0.10 3.82 1.01 -0.13 -1.06 120.40 123.85 2kz4 s VAL 59 Ca 0.59 -0.63 -0.04 0.00 0.00 0.00 0.00 61.98 61.90 2kz4 s VAL 59 Cb -0.29 -1.25 -0.04 0.00 0.00 0.00 0.00 36.38 34.80 2kz4 s VAL 59 CO 0.36 0.41 0.08 -0.60 0.00 0.00 0.00 175.10 175.35 2kz4 s ARG 60 N 0.59 3.22 0.01 2.72 3.52 -0.06 -0.72 118.95 128.23 2kz4 s ARG 60 Ca -0.15 -0.27 0.01 0.00 -0.13 0.00 0.00 55.73 55.18 2kz4 s ARG 60 Cb -0.16 -3.00 -0.01 0.00 -1.56 0.00 0.00 34.95 30.22 2kz4 s ARG 60 CO 0.05 0.74 -0.05 0.42 -0.81 0.00 0.00 175.30 175.65 2kz4 s ILE 61 N -0.98 0.34 -0.08 4.11 1.01 -0.35 -0.51 121.20 124.74 2kz4 s ILE 61 Ca 0.15 -0.45 0.01 0.00 0.00 0.00 0.00 60.65 60.36 2kz4 s ILE 61 Cb -0.12 -0.34 0.02 0.00 0.01 0.00 0.00 42.46 42.03 2kz4 s ILE 61 CO 0.04 -0.08 -0.11 0.26 0.00 0.00 0.00 174.94 175.05 2kz4 s TRP 62 N -0.53 1.43 0.18 3.97 0.52 -0.91 -0.55 118.94 123.05 2kz4 s TRP 62 Ca -0.03 -0.58 0.07 0.00 0.02 0.00 0.00 56.10 55.59 2kz4 s TRP 62 Cb -0.04 -1.09 -0.04 0.00 -1.15 0.00 0.00 33.47 31.14 2kz4 s TRP 62 CO -0.00 -0.34 -0.15 0.96 0.02 0.00 0.00 176.95 177.44 2kz4 s ILE 63 N 0.95 1.66 0.52 2.03 -4.36 -0.79 -1.18 121.20 120.03 2kz4 s ILE 63 Ca -0.09 -2.05 -0.23 0.00 -0.26 0.00 0.00 60.65 58.03 2kz4 s ILE 63 Cb -0.15 -1.90 -0.06 0.00 1.25 0.00 0.00 42.46 41.61 2kz4 s ILE 63 CO 0.00 -0.50 1.38 -0.13 0.24 0.00 0.00 174.94 175.93 2kz4 s ARG 64 N -3.27 3.26 0.07 0.37 0.52 -1.24 -0.90 118.95 117.76 2kz4 s ARG 64 Ca 0.18 2.30 -0.33 0.00 -0.52 0.00 0.00 55.73 57.36 2kz4 s ARG 64 Cb -0.02 -2.35 -0.12 0.00 0.52 0.00 0.00 34.95 32.97 2kz4 s ARG 64 CO 0.06 -1.12 1.78 0.98 0.02 0.00 0.00 175.30 177.01 2kz4 n TYR 65 N -0.84 2.44 -3.66 -0.53 4.19 -0.97 -4.53 117.16 113.26 2kz4 n TYR 65 Ca 0.09 0.01 -0.08 0.00 3.31 0.00 0.00 57.90 61.23 2kz4 n TYR 65 Cb 0.44 -2.66 -0.09 0.00 0.49 0.00 0.00 39.34 37.52 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 2.60 0.38 0.00 2.98 3.52 -1.26 -4.94 118.95 122.22 2kz4 s ARG 66 Ca 0.84 1.05 0.18 0.00 -0.13 0.00 0.00 55.73 57.67 2kz4 s ARG 66 Cb -0.60 0.33 0.98 0.00 -1.56 0.00 0.00 34.95 34.10 2kz4 s ARG 66 CO 0.42 -0.23 1.51 1.63 -0.81 0.00 0.00 175.30 177.82 2kz4 n LYS 67 N 5.17 0.40 0.06 5.12 4.76 -1.26 -2.88 118.16 129.53 2kz4 n LYS 67 Ca -0.12 0.07 0.05 0.00 -2.87 0.00 0.00 58.31 55.44 2kz4 n LYS 67 Cb 0.51 -1.50 -0.05 0.00 -1.84 0.00 0.00 35.03 32.15 2kz4 n LYS 67 CO 0.00 0.00 0.00 0.22 -1.37 0.00 0.00 177.40 176.25 2kz4 h ASP 68 N 0.00 0.00 -3.35 4.39 3.58 -2.00 -3.46 116.42 115.58 2kz4 h ASP 68 Ca 0.00 0.00 -0.56 0.00 0.42 0.00 0.00 57.03 56.89 2kz4 h ASP 68 Cb 0.09 0.00 -0.06 0.00 1.72 0.00 0.00 39.33 41.08 2kz4 h ASP 68 CO 0.00 0.34 0.04 -0.63 -2.88 0.00 0.00 179.24 176.11 2kz4 s ILE 69 N -3.11 5.04 0.19 2.25 -1.09 -1.14 -5.03 121.20 118.31 2kz4 s ILE 69 Ca -0.02 1.35 -0.06 0.00 -2.23 0.00 0.00 60.65 59.68 2kz4 s ILE 69 Cb 0.09 -3.99 -0.02 0.00 -1.58 0.00 0.00 42.46 36.96 2kz4 s ILE 69 CO 0.80 0.29 0.26 0.21 -1.23 0.00 0.00 174.94 175.27 2kz4 s ASN 70 N 0.61 0.08 0.60 3.58 2.47 -1.26 -4.96 114.94 116.05 2kz4 s ASN 70 Ca 0.35 -1.09 0.32 0.00 0.42 0.00 0.00 52.86 52.86 2kz4 s ASN 70 Cb -0.17 0.44 1.89 0.00 -1.45 0.00 0.00 41.25 41.96 2kz4 s ASN 70 CO 0.17 -0.92 2.26 0.00 -3.72 0.00 0.00 177.10 174.89 2kz4 h ALA 71 N 2.54 1.41 0.00 1.71 0.00 -1.94 -2.03 119.26 120.93 2kz4 h ALA 71 Ca -0.32 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.58 2kz4 h ALA 71 Cb 1.24 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.02 2kz4 h ALA 71 CO 0.48 0.02 0.00 0.25 0.00 0.00 0.00 179.25 179.99 2kz4 n THR 72 N -3.69 0.00 -3.88 0.00 -2.24 -1.26 -4.70 114.28 98.52 2kz4 n THR 72 Ca -0.03 0.00 -0.21 0.00 -2.27 0.00 0.00 64.05 61.54 2kz4 n THR 72 Cb 0.10 -0.69 -0.02 0.00 -2.10 0.00 0.00 70.33 67.61 2kz4 n THR 72 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 2kz4 s SER 73 N -2.00 6.08 0.07 3.42 0.15 -0.77 -4.35 113.70 116.31 2kz4 s SER 73 Ca 0.29 -0.06 0.07 0.00 0.70 0.00 0.00 55.95 56.95 2kz4 s SER 73 Cb 0.13 -1.62 -0.04 0.00 -1.71 0.00 0.00 66.02 62.79 2kz4 s SER 73 CO 0.22 -0.15 -0.13 -0.13 1.20 0.00 0.00 173.24 174.25 2kz4 s ARG 74 N -4.00 2.15 -0.54 5.44 0.52 -0.98 -4.42 118.95 117.11 2kz4 s ARG 74 Ca 0.36 -0.97 -0.18 0.00 -0.52 0.00 0.00 55.73 54.42 2kz4 s ARG 74 Cb -0.09 -2.29 0.09 0.00 0.52 0.00 0.00 34.95 33.18 2kz4 s ARG 74 CO 0.29 0.53 0.62 0.42 0.02 0.00 0.00 175.30 177.18 2kz4 s ILE 75 N -1.08 4.92 -0.54 1.52 -1.09 0.16 -0.90 121.20 124.19 2kz4 s ILE 75 Ca 0.18 -0.87 -0.19 0.00 -2.23 0.00 0.00 60.65 57.55 2kz4 s ILE 75 Cb -0.11 -4.37 0.08 0.00 -1.58 0.00 0.00 42.46 36.48 2kz4 s ILE 75 CO 0.10 -0.93 0.64 -0.75 -1.23 0.00 0.00 174.94 172.77 2kz4 s LYS 76 N 2.45 3.08 -0.00 2.79 2.20 -0.51 -0.05 119.74 129.70 2kz4 s LYS 76 Ca 0.11 -1.13 -0.30 0.00 -0.36 0.00 0.00 55.97 54.29 2kz4 s LYS 76 Cb -0.23 -4.18 -0.06 0.00 -1.51 0.00 0.00 37.83 31.85 2kz4 s LYS 76 CO 0.08 -1.35 1.47 0.08 -0.36 0.00 0.00 175.35 175.27 2kz4 s VAL 77 N 2.57 3.60 0.01 4.02 1.01 -0.46 -0.55 120.40 130.61 2kz4 s VAL 77 Ca 0.13 0.96 -0.15 0.00 0.00 0.00 0.00 61.98 62.91 2kz4 s VAL 77 Cb -0.22 -3.62 -0.35 0.00 0.00 0.00 0.00 36.38 32.19 2kz4 s VAL 77 CO 0.09 -0.02 0.94 -1.28 0.00 0.00 0.00 175.10 174.83 2kz4 h SER 78 N 8.14 0.81 -3.48 3.32 0.87 -1.74 -0.43 113.55 121.04 2kz4 h SER 78 Ca -0.38 -0.92 -0.19 0.00 -1.23 0.00 0.00 61.79 59.06 2kz4 h SER 78 Cb 1.18 -0.26 -0.29 0.00 -0.44 0.00 0.00 62.40 62.59 2kz4 h SER 78 CO 0.92 1.73 -0.48 0.42 -0.53 0.00 0.00 176.83 178.88 2kz4 s THR 79 N -2.59 -0.03 -5.00 2.23 -4.23 -1.13 -4.53 115.64 100.36 2kz4 s THR 79 Ca -0.10 0.11 0.00 0.00 -1.18 0.00 0.00 61.69 60.52 2kz4 s THR 79 Cb 0.04 -0.36 0.00 0.00 1.34 0.00 0.00 72.50 73.52 2kz4 s THR 79 CO 0.93 0.05 0.00 0.61 -0.54 0.00 0.00 174.62 175.67 2kz4 n GLY 80 N 3.89 0.14 0.24 3.99 0.00 -1.26 -3.61 105.19 108.58 2kz4 n GLY 80 Ca -0.22 -1.67 0.16 0.00 0.00 0.00 0.00 46.02 44.29 2kz4 n GLY 80 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 2kz4 h PRO 81 N 5.14 0.00 -0.21 1.61 0.11 -2.01 -2.59 132.00 134.05 2kz4 h PRO 81 Ca 0.00 0.00 -0.06 0.00 0.11 0.00 0.00 66.00 66.05 2kz4 h PRO 81 Cb 0.00 0.00 -0.04 0.00 0.11 0.00 0.00 31.00 31.07 2kz4 h PRO 81 CO 0.00 0.00 -0.07 1.28 -0.21 0.00 0.00 178.00 179.00 2kz4 n LEU 82 N -2.71 3.55 -4.59 2.35 4.77 -1.26 -5.03 117.00 114.08 2kz4 n LEU 82 Ca -0.01 -3.35 -0.42 0.00 -0.03 0.00 0.00 56.01 52.20 2kz4 n LEU 82 Cb 0.16 -0.55 -0.03 0.00 -2.33 0.00 0.00 43.42 40.67 2kz4 n LEU 82 CO 0.20 0.93 1.77 0.00 -1.33 0.00 0.00 177.39 178.95 2kz4 s ALA 83 N -3.01 2.62 0.00 -1.18 0.00 -0.98 -1.79 121.76 117.43 2kz4 s ALA 83 Ca 0.41 0.48 0.00 0.00 0.00 0.00 0.00 51.96 52.85 2kz4 s ALA 83 Cb 0.35 -4.10 0.00 0.00 0.00 0.00 0.00 23.12 19.37 2kz4 s ALA 83 CO 0.03 -2.98 0.00 0.41 0.00 0.00 0.00 175.76 173.22 2kz4 n GLY 84 N 5.69 0.87 3.95 0.00 0.00 -0.17 -4.96 105.19 110.57 2kz4 n GLY 84 Ca 0.28 -0.16 -0.24 0.00 0.00 0.00 0.00 46.02 45.90 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 0.00 2.27 -0.29 1.61 0.52 -0.74 -4.81 118.95 117.51 2kz4 s ARG 85 Ca 0.00 -0.54 0.02 0.00 -0.52 0.00 0.00 55.73 54.69 2kz4 s ARG 85 Cb 0.00 -2.31 0.08 0.00 0.52 0.00 0.00 34.95 33.24 2kz4 s ARG 85 CO 0.00 -1.06 -0.01 0.08 0.02 0.00 0.00 175.30 174.33 2kz4 s VAL 86 N -3.05 1.93 0.14 3.52 1.01 -1.26 -1.36 120.40 121.34 2kz4 s VAL 86 Ca 0.60 -1.81 -0.22 0.00 0.00 0.00 0.00 61.98 60.55 2kz4 s VAL 86 Cb -0.10 -2.27 -0.07 0.00 0.00 0.00 0.00 36.38 33.93 2kz4 s VAL 86 CO 0.42 -0.35 0.68 -0.76 0.00 0.00 0.00 175.10 175.09 2kz4 s LEU 87 N 1.14 4.52 -0.05 3.92 2.01 0.93 -4.35 118.68 126.81 2kz4 s LEU 87 Ca 0.02 1.44 0.00 0.00 0.01 0.00 0.00 54.13 55.60 2kz4 s LEU 87 Cb -0.19 -3.19 -0.03 0.00 0.01 0.00 0.00 46.19 42.79 2kz4 s LEU 87 CO -0.09 0.20 -0.02 0.20 1.01 0.00 0.00 176.35 177.65 2kz4 s ASN 88 N -1.24 4.99 -0.55 2.29 0.01 -0.06 -0.66 114.94 119.72 2kz4 s ASN 88 Ca 0.34 0.03 -0.28 0.00 -0.71 0.00 0.00 52.86 52.24 2kz4 s ASN 88 Cb -0.20 -1.32 0.03 0.00 0.41 0.00 0.00 41.25 40.17 2kz4 s ASN 88 CO 0.22 0.33 1.13 -0.63 -1.51 0.00 0.00 177.10 176.65 2kz4 s ILE 89 N -0.94 4.13 -0.38 0.60 1.01 -1.26 -1.17 121.20 123.19 2kz4 s ILE 89 Ca 0.15 0.88 -0.01 0.00 0.00 0.00 0.00 60.65 61.67 2kz4 s ILE 89 Cb -0.11 -4.66 0.22 0.00 0.01 0.00 0.00 42.46 37.92 2kz4 s ILE 89 CO 0.05 -1.22 2.11 2.30 0.00 0.00 0.00 174.94 178.18 2kz4 n ILE 90 N 6.64 2.95 0.00 2.92 -5.35 -1.20 -4.87 119.36 120.45 2kz4 n ILE 90 Ca 0.08 -1.97 0.00 0.00 -0.27 0.00 0.00 62.75 60.59 2kz4 n ILE 90 Cb 0.49 -1.35 0.00 0.00 -1.74 0.00 0.00 39.64 37.04 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 0.26 -0.80 2.95 3.28 0.00 -1.26 -4.94 105.19 104.68 2kz4 n GLY 91 Ca 0.36 0.18 -0.18 0.00 0.00 0.00 0.00 46.02 46.38 2kz4 n GLY 91 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2kz4 s GLN 92 N -0.07 0.64 -0.31 1.61 -0.21 -1.26 -4.75 119.66 115.30 2kz4 s GLN 92 Ca 0.00 -0.20 -0.29 0.00 0.02 0.00 0.00 55.36 54.90 2kz4 s GLN 92 Cb 0.00 -0.63 -0.02 0.00 1.00 0.00 0.00 33.01 33.36 2kz4 s GLN 92 CO 0.00 0.07 1.68 -1.25 -2.12 0.00 0.00 175.29 173.67 2kz4 s PRO 93 N 0.20 3.50 -0.39 2.91 0.04 -1.26 -4.73 135.00 135.27 2kz4 s PRO 93 Ca -0.02 1.41 -0.10 0.00 0.04 0.00 0.00 61.00 62.33 2kz4 s PRO 93 Cb -0.07 -4.12 0.05 0.00 0.04 0.00 0.00 34.50 30.40 2kz4 s PRO 93 CO -0.00 -1.65 0.22 -1.17 0.04 0.00 0.00 177.00 174.43 2kz4 s LEU 94 N 6.18 4.87 0.64 -3.56 1.98 -0.90 -4.95 118.68 122.93 2kz4 s LEU 94 Ca 0.75 -1.25 -0.18 0.00 -2.89 0.00 0.00 54.13 50.56 2kz4 s LEU 94 Cb -0.22 -1.99 -0.03 0.00 0.66 0.00 0.00 46.19 44.62 2kz4 s LEU 94 CO 0.32 -0.45 1.00 -2.65 -1.89 0.00 0.00 176.35 172.69 2kz4 n PRO 95 N 4.94 0.82 -1.36 0.98 -0.02 -1.26 -1.28 135.00 137.82 2kz4 n PRO 95 Ca -0.11 0.33 -0.29 0.00 -2.02 0.00 0.00 63.50 61.40 2kz4 n PRO 95 Cb 0.44 -2.23 0.18 0.00 -0.02 0.00 0.00 33.50 31.88 2kz4 n PRO 95 CO 0.00 0.00 0.00 0.16 1.98 0.00 0.00 175.50 177.64 2kz4 s ASP 96 N -1.37 2.44 0.46 2.55 -4.77 -0.17 -4.82 116.67 110.99 2kz4 s ASP 96 Ca 0.77 0.82 0.13 0.00 -3.30 0.00 0.00 52.55 50.97 2kz4 s ASP 96 Cb -0.39 -1.25 1.06 0.00 -1.09 0.00 0.00 42.92 41.25 2kz4 s ASP 96 CO 0.46 -3.21 2.07 0.00 0.70 0.00 0.00 175.17 175.19 2kz4 h ALA 97 N -1.95 1.92 -0.00 2.11 0.00 -1.96 -2.29 119.26 117.09 2kz4 h ALA 97 Ca -0.49 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.40 2kz4 h ALA 97 Cb 1.31 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 19.02 2kz4 h ALA 97 CO 0.50 0.03 -0.54 0.00 0.00 0.00 0.00 179.25 179.24 2kz4 n ALA 98 N -2.52 3.65 -2.36 0.00 0.00 -1.26 -4.97 120.51 113.06 2kz4 n ALA 98 Ca 0.03 -0.39 -0.18 0.00 0.00 0.00 0.00 53.44 52.89 2kz4 n ALA 98 Cb 0.18 -1.07 -0.01 0.00 0.00 0.00 0.00 19.45 18.55 2kz4 n ALA 98 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2kz4 n ARG 99 N -1.38 -1.52 -0.00 0.00 3.00 -0.86 -4.90 116.66 111.00 2kz4 n ARG 99 Ca 0.06 0.89 0.10 0.00 -0.01 0.00 0.00 57.85 58.89 2kz4 n ARG 99 Cb 0.34 -5.42 -0.13 0.00 0.00 0.00 0.00 32.46 27.25 2kz4 n ARG 99 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.63 177.88 2kz4 n THR 100 N -4.02 0.00 -3.62 0.55 -2.24 -1.26 -4.78 114.28 98.91 2kz4 n THR 100 Ca -0.22 -0.16 -0.09 0.00 -2.27 0.00 0.00 64.05 61.31 2kz4 n THR 100 Cb 0.67 0.72 -0.06 0.00 -2.10 0.00 0.00 70.33 69.55 2kz4 n THR 100 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2kz4 s ARG 101 N -3.02 0.51 -0.12 -0.78 1.04 -1.26 -2.29 118.95 113.03 2kz4 s ARG 101 Ca 0.03 0.44 -0.06 0.00 -1.04 0.00 0.00 55.73 55.10 2kz4 s ARG 101 Cb 0.14 0.25 -0.04 0.00 -2.04 0.00 0.00 34.95 33.26 2kz4 s ARG 101 CO 0.82 -0.10 0.11 -0.51 -0.04 0.00 0.00 175.30 175.58 2kz4 s LEU 102 N -0.19 4.19 -0.46 -1.89 1.02 -0.08 -1.00 118.68 120.27 2kz4 s LEU 102 Ca 0.02 0.38 -0.24 0.00 0.02 0.00 0.00 54.13 54.31 2kz4 s LEU 102 Cb -0.04 -2.01 0.03 0.00 0.02 0.00 0.00 46.19 44.19 2kz4 s LEU 102 CO -0.04 0.39 0.86 -0.70 0.02 0.00 0.00 176.35 176.88 2kz4 s GLU 103 N -0.94 3.47 -0.51 1.70 2.12 -0.40 -1.89 118.70 122.25 2kz4 s GLU 103 Ca 0.14 0.03 -0.18 0.00 0.36 0.00 0.00 54.97 55.32 2kz4 s GLU 103 Cb -0.12 -3.93 0.07 0.00 0.26 0.00 0.00 34.13 30.41 2kz4 s GLU 103 CO 0.03 -1.18 0.57 0.42 -0.54 0.00 0.00 175.26 174.57 2kz4 s ILE 104 N 3.54 4.97 0.13 -3.70 -1.09 0.29 -2.13 121.20 123.21 2kz4 s ILE 104 Ca 0.34 -0.73 -0.26 0.00 -2.23 0.00 0.00 60.65 57.76 2kz4 s ILE 104 Cb -0.11 -4.28 -0.07 0.00 -1.58 0.00 0.00 42.46 36.42 2kz4 s ILE 104 CO 0.25 -0.79 0.82 -1.48 -1.23 0.00 0.00 174.94 172.50 2kz4 s LEU 105 N 2.36 4.54 0.30 2.97 2.34 -1.26 -1.21 118.68 128.72 2kz4 s LEU 105 Ca 0.11 1.64 -0.07 0.00 0.06 0.00 0.00 54.13 55.87 2kz4 s LEU 105 Cb -0.21 -3.35 0.00 0.00 -0.56 0.00 0.00 46.19 42.07 2kz4 s LEU 105 CO 0.10 0.10 0.47 0.00 -1.06 0.00 0.00 176.35 175.96 2kz4 s ARG 107 N -3.40 1.17 -0.48 0.00 3.52 -0.31 -0.96 118.95 118.49 2kz4 s ARG 107 Ca 0.27 -0.59 -0.26 0.00 -0.13 0.00 0.00 55.73 55.02 2kz4 s ARG 107 Cb -0.00 0.53 -0.06 0.00 -1.56 0.00 0.00 34.95 33.85 2kz4 s ARG 107 CO 0.15 -0.48 2.33 -2.00 -0.81 0.00 0.00 175.30 174.48 2kz4 s GLU 108 N -3.77 2.25 -0.83 5.12 -6.30 -1.13 -0.88 118.70 113.16 2kz4 s GLU 108 Ca 0.02 1.37 -0.02 0.00 -2.50 0.00 0.00 54.97 53.84 2kz4 s GLU 108 Cb 0.01 -4.54 0.27 0.00 0.00 0.00 0.00 34.13 29.86 2kz4 s GLU 108 CO -0.12 -3.11 2.17 0.41 0.02 0.00 0.00 175.26 174.63 2kz4 n GLY 109 N 5.94 5.37 2.78 -1.50 0.00 -1.26 -4.82 105.19 111.70 2kz4 n GLY 109 Ca 0.34 -2.35 -0.03 0.00 0.00 0.00 0.00 46.02 43.98 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 -0.01 -2.65 0.24 4.61 0.00 -1.26 -4.90 120.51 116.54 2kz4 n ALA 110 Ca 0.52 0.45 0.13 0.00 0.00 0.00 0.00 53.44 54.55 2kz4 n ALA 110 Cb 0.30 -2.19 0.33 0.00 0.00 0.00 0.00 19.45 17.89 2kz4 n ALA 110 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 2kz4 h GLU 111 N 0.99 0.00 -0.03 0.00 5.08 -1.89 -3.53 114.58 115.20 2kz4 h GLU 111 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 2kz4 h GLU 111 Cb 0.94 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.19 2kz4 h GLU 111 CO 0.22 0.02 0.00 1.63 -1.00 0.00 0.00 179.01 179.88