#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kz4 n ASN 2 N 0.00 0.00 -4.56 7.83 0.23 -1.26 -5.08 115.26 112.42 2kz4 n ASN 2 Ca 0.00 -0.86 -0.35 0.00 -0.53 0.00 0.00 54.58 52.84 2kz4 n ASN 2 Cb 0.00 0.00 -0.04 0.00 -2.08 0.00 0.00 39.78 37.66 2kz4 n ASN 2 CO 0.00 0.00 0.00 -0.63 -0.93 0.00 0.00 177.26 175.70 2kz4 s ILE 3 N -2.35 3.72 -0.49 1.53 -1.09 -1.26 -4.85 121.20 116.41 2kz4 s ILE 3 Ca 0.00 -0.66 -0.04 0.00 -2.23 0.00 0.00 60.65 57.72 2kz4 s ILE 3 Cb 0.00 -4.61 0.03 0.00 -1.58 0.00 0.00 42.46 36.30 2kz4 s ILE 3 CO 0.00 -1.49 2.83 0.61 -1.23 0.00 0.00 174.94 175.66 2kz4 n GLY 4 N 6.76 4.28 3.76 6.18 0.00 -1.26 -4.98 105.19 119.93 2kz4 n GLY 4 Ca 0.37 -1.83 -0.41 0.00 0.00 0.00 0.00 46.02 44.15 2kz4 n GLY 4 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 2kz4 s ARG 5 N -1.37 4.40 -1.26 1.61 1.70 -1.26 -4.93 118.95 117.85 2kz4 s ARG 5 Ca 0.59 2.11 -0.18 0.00 -0.47 0.00 0.00 55.73 57.79 2kz4 s ARG 5 Cb 0.36 -3.12 0.08 0.00 -0.57 0.00 0.00 34.95 31.69 2kz4 s ARG 5 CO -0.19 -0.16 1.67 -0.51 -1.08 0.00 0.00 175.30 175.04 2kz4 s LEU 6 N -1.21 3.91 0.37 -1.89 2.01 -1.26 -4.77 118.68 115.84 2kz4 s LEU 6 Ca 0.51 -2.37 0.20 0.00 0.01 0.00 0.00 54.13 52.48 2kz4 s LEU 6 Cb -0.38 -2.56 0.29 0.00 0.01 0.00 0.00 46.19 43.55 2kz4 s LEU 6 CO 0.47 -1.18 1.56 0.08 1.01 0.00 0.00 176.35 178.29 2kz4 h ARG 7 N 7.82 0.00 0.00 1.70 0.11 -1.80 -3.38 114.38 118.83 2kz4 h ARG 7 Ca 0.41 0.00 -0.29 0.00 0.10 0.00 0.00 59.98 60.20 2kz4 h ARG 7 Cb 0.89 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.97 2kz4 h ARG 7 CO 1.44 0.24 -0.08 -0.25 0.10 0.00 0.00 179.97 181.42 2kz4 n ASP 8 N -3.18 1.47 -3.93 0.08 8.00 0.67 -4.96 116.55 114.70 2kz4 n ASP 8 Ca 0.03 -1.93 -0.10 0.00 0.71 0.00 0.00 54.79 53.50 2kz4 n ASP 8 Cb 0.61 -0.16 -0.11 0.00 -0.02 0.00 0.00 41.12 41.44 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 -3.39 0.31 0.00 -1.24 0.52 -1.26 -1.75 118.95 112.15 2kz4 s ARG 9 Ca 0.28 -0.44 -0.01 0.00 -0.52 0.00 0.00 55.73 55.04 2kz4 s ARG 9 Cb -0.02 0.12 -0.01 0.00 0.52 0.00 0.00 34.95 35.56 2kz4 s ARG 9 CO 0.18 -0.06 0.01 0.96 0.02 0.00 0.00 175.30 176.41 2kz4 s ILE 10 N -1.19 0.06 -0.24 1.52 -0.00 -0.89 -1.76 121.20 118.71 2kz4 s ILE 10 Ca -0.13 -0.46 -0.14 0.00 -0.00 0.00 0.00 60.65 59.92 2kz4 s ILE 10 Cb -0.08 -0.18 -0.04 0.00 -0.00 0.00 0.00 42.46 42.17 2kz4 s ILE 10 CO -0.00 -0.25 0.33 -0.89 -0.00 0.00 0.00 174.94 174.13 2kz4 s THR 11 N -0.76 5.22 -0.60 8.37 2.01 0.00 -1.39 115.64 128.50 2kz4 s THR 11 Ca -0.08 0.53 -0.27 0.00 0.31 0.00 0.00 61.69 62.17 2kz4 s THR 11 Cb -0.05 -3.66 0.01 0.00 0.01 0.00 0.00 72.50 68.80 2kz4 s THR 11 CO -0.00 0.23 1.49 -0.63 -0.69 0.00 0.00 174.62 175.02 2kz4 s ILE 12 N 1.59 3.68 -0.81 1.82 -1.09 -0.96 -2.22 121.20 123.20 2kz4 s ILE 12 Ca 0.15 0.52 -0.22 0.00 -2.23 0.00 0.00 60.65 58.86 2kz4 s ILE 12 Cb -0.15 -4.42 0.07 0.00 -1.58 0.00 0.00 42.46 36.39 2kz4 s ILE 12 CO 0.08 -1.24 1.15 -1.10 -1.23 0.00 0.00 174.94 172.60 2kz4 s GLN 13 N 5.87 3.33 0.44 2.79 -0.21 -0.19 -0.53 119.66 131.16 2kz4 s GLN 13 Ca 0.52 -1.01 -0.21 0.00 0.02 0.00 0.00 55.36 54.69 2kz4 s GLN 13 Cb -0.11 -4.59 -0.10 0.00 1.00 0.00 0.00 33.01 29.20 2kz4 s GLN 13 CO 0.22 -1.94 0.97 0.95 -2.12 0.00 0.00 175.29 173.37 2kz4 s THR 14 N 4.18 4.28 -0.55 -0.19 -4.23 -0.45 -1.33 115.64 117.35 2kz4 s THR 14 Ca 0.31 1.42 -0.23 0.00 -1.18 0.00 0.00 61.69 62.01 2kz4 s THR 14 Cb -0.09 -3.57 0.05 0.00 1.34 0.00 0.00 72.50 70.22 2kz4 s THR 14 CO 0.03 -0.31 0.87 -0.22 -0.54 0.00 0.00 174.62 174.44 2kz4 s LEU 15 N -3.25 4.34 -0.74 4.79 2.96 -1.25 -0.74 118.68 124.78 2kz4 s LEU 15 Ca 0.63 -0.56 -0.21 0.00 -0.22 0.00 0.00 54.13 53.77 2kz4 s LEU 15 Cb -0.10 -2.69 0.10 0.00 0.50 0.00 0.00 46.19 43.99 2kz4 s LEU 15 CO 0.15 -1.18 0.97 -0.75 -1.32 0.00 0.00 176.35 174.22 2kz4 s LYS 16 N 3.66 3.26 -0.77 1.98 2.20 0.81 -4.94 119.74 125.95 2kz4 s LYS 16 Ca 0.26 -1.23 -0.24 0.00 -0.36 0.00 0.00 55.97 54.40 2kz4 s LYS 16 Cb -0.15 -4.47 0.06 0.00 -1.51 0.00 0.00 37.83 31.77 2kz4 s LYS 16 CO 0.16 -1.75 1.16 -0.65 -0.36 0.00 0.00 175.35 173.91 2kz4 s GLN 17 N 3.35 3.26 -0.28 4.03 -0.21 -1.26 -1.54 119.66 127.02 2kz4 s GLN 17 Ca 0.24 -0.78 -0.08 0.00 0.02 0.00 0.00 55.36 54.76 2kz4 s GLN 17 Cb -0.14 -4.45 -0.01 0.00 1.00 0.00 0.00 33.01 29.41 2kz4 s GLN 17 CO 0.03 -1.98 0.09 0.99 -2.12 0.00 0.00 175.29 172.30 2kz4 s THR 18 N 4.60 4.31 0.80 -0.19 2.01 -0.52 -4.90 115.64 121.74 2kz4 s THR 18 Ca 0.31 -0.35 -0.11 0.00 0.31 0.00 0.00 61.69 61.85 2kz4 s THR 18 Cb -0.10 -3.11 0.07 0.00 0.01 0.00 0.00 72.50 69.37 2kz4 s THR 18 CO 0.07 0.21 1.09 -0.60 -0.69 0.00 0.00 174.62 174.69 2kz4 s ARG 19 N 1.59 2.09 0.32 4.92 3.52 -1.26 -0.62 118.95 129.51 2kz4 s ARG 19 Ca 0.05 0.91 0.09 0.00 -0.13 0.00 0.00 55.73 56.65 2kz4 s ARG 19 Cb -0.16 -1.90 -0.05 0.00 -1.56 0.00 0.00 34.95 31.28 2kz4 s ARG 19 CO 0.04 -1.69 0.02 0.34 -0.81 0.00 0.00 175.30 173.20 2kz4 s ASP 20 N -3.60 4.31 0.65 -2.12 2.15 0.44 -4.83 116.67 113.65 2kz4 s ASP 20 Ca 0.61 -0.88 0.37 0.00 0.43 0.00 0.00 52.55 53.07 2kz4 s ASP 20 Cb -0.16 -0.62 2.04 0.00 -0.30 0.00 0.00 42.92 43.89 2kz4 s ASP 20 CO 0.56 -0.18 2.20 -0.29 -0.17 0.00 0.00 175.17 177.28 2kz4 h ILE 21 N 1.81 0.12 0.00 4.11 2.10 -1.98 -0.66 117.51 123.01 2kz4 h ILE 21 Ca -0.43 0.00 0.00 0.00 1.08 0.00 0.00 64.86 65.51 2kz4 h ILE 21 Cb 1.25 0.88 0.00 0.00 -1.09 0.00 0.00 36.82 37.86 2kz4 h ILE 21 CO 0.64 0.00 -0.92 0.35 -1.08 0.00 0.00 178.15 177.14 2kz4 n THR 22 N -3.21 0.13 -0.76 2.19 -2.24 -1.26 -4.96 114.28 104.17 2kz4 n THR 22 Ca -0.02 -0.18 0.00 0.00 -2.27 0.00 0.00 64.05 61.58 2kz4 n THR 22 Cb 0.20 0.29 0.00 0.00 -2.10 0.00 0.00 70.33 68.72 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 1.40 0.97 3.70 3.38 0.00 -0.25 -5.11 105.19 109.28 2kz4 n GLY 23 Ca 0.03 -0.21 -0.35 0.00 0.00 0.00 0.00 46.02 45.49 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 -1.51 3.26 -0.73 1.61 0.41 -1.26 -4.83 118.70 115.66 2kz4 s GLU 24 Ca 0.00 -0.35 -0.20 0.00 -0.41 0.00 0.00 54.97 54.01 2kz4 s GLU 24 Cb 0.00 -2.94 0.10 0.00 -1.78 0.00 0.00 34.13 29.52 2kz4 s GLU 24 CO 0.00 0.62 0.94 0.42 -0.49 0.00 0.00 175.26 176.76 2kz4 s ILE 25 N -0.65 4.63 -0.81 -1.63 -1.09 -1.26 -0.42 121.20 119.97 2kz4 s ILE 25 Ca 0.11 -1.00 -0.23 0.00 -2.23 0.00 0.00 60.65 57.30 2kz4 s ILE 25 Cb -0.12 -4.66 0.06 0.00 -1.58 0.00 0.00 42.46 36.17 2kz4 s ILE 25 CO 0.02 -1.37 1.20 -0.76 -1.23 0.00 0.00 174.94 172.80 2kz4 s LEU 26 N 3.11 3.91 -0.44 2.97 1.02 0.21 -4.88 118.68 124.59 2kz4 s LEU 26 Ca 0.23 -1.09 -0.29 0.00 0.02 0.00 0.00 54.13 52.99 2kz4 s LEU 26 Cb -0.15 -2.49 0.03 0.00 0.02 0.00 0.00 46.19 43.60 2kz4 s LEU 26 CO 0.02 -1.52 1.13 -1.61 0.02 0.00 0.00 176.35 174.39 2kz4 s GLU 27 N 4.57 3.80 0.34 1.70 2.02 -1.26 -1.44 118.70 128.43 2kz4 s GLU 27 Ca 0.33 0.69 0.05 0.00 0.02 0.00 0.00 54.97 56.06 2kz4 s GLU 27 Cb -0.08 -3.87 -0.07 0.00 0.10 0.00 0.00 34.13 30.21 2kz4 s GLU 27 CO 0.04 -1.27 0.03 0.95 0.02 0.00 0.00 175.26 175.03 2kz4 s THR 28 N 4.27 1.48 -0.26 3.63 -4.23 -0.59 -4.99 115.64 114.94 2kz4 s THR 28 Ca 0.47 -2.02 0.03 0.00 -1.18 0.00 0.00 61.69 58.99 2kz4 s THR 28 Cb -0.08 -2.79 0.06 0.00 1.34 0.00 0.00 72.50 71.03 2kz4 s THR 28 CO 0.28 -0.05 -0.10 0.26 -0.54 0.00 0.00 174.62 174.47 2kz4 s TRP 29 N -3.10 3.30 -0.35 3.99 0.52 -1.26 -0.13 118.94 121.91 2kz4 s TRP 29 Ca 0.35 -2.37 -0.26 0.00 0.02 0.00 0.00 56.10 53.85 2kz4 s TRP 29 Cb 0.08 -1.99 0.01 0.00 -1.15 0.00 0.00 33.47 30.43 2kz4 s TRP 29 CO 0.16 -0.88 0.91 -1.83 0.02 0.00 0.00 176.95 175.32 2kz4 s GLU 30 N 1.09 3.88 0.26 4.98 -1.05 0.08 -4.90 118.70 123.04 2kz4 s GLU 30 Ca -0.08 0.62 -0.30 0.00 -0.15 0.00 0.00 54.97 55.06 2kz4 s GLU 30 Cb -0.20 -3.78 -0.10 0.00 -0.44 0.00 0.00 34.13 29.61 2kz4 s GLU 30 CO -0.05 -0.88 1.42 0.16 0.95 0.00 0.00 175.26 176.85 2kz4 s ASP 31 N 1.80 6.66 0.00 0.83 -4.77 -1.26 -1.34 116.67 118.59 2kz4 s ASP 31 Ca 0.37 2.67 0.00 0.00 -3.30 0.00 0.00 52.55 52.30 2kz4 s ASP 31 Cb -0.12 -2.63 0.00 0.00 -1.09 0.00 0.00 42.92 39.08 2kz4 s ASP 31 CO 0.17 -0.68 0.00 0.61 0.70 0.00 0.00 175.17 175.97 2kz4 n GLY 32 N 1.97 1.55 3.66 2.12 0.00 0.31 -4.91 105.19 109.90 2kz4 n GLY 32 Ca 0.06 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.71 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 2.98 3.32 -0.85 1.61 3.76 -1.26 -4.73 115.29 120.13 2kz4 s HIS 33 Ca 0.00 0.24 -0.20 0.00 -0.15 0.00 0.00 55.06 54.95 2kz4 s HIS 33 Cb 0.00 -2.27 0.10 0.00 1.11 0.00 0.00 32.58 31.52 2kz4 s HIS 33 CO 0.00 0.07 1.11 0.99 -0.85 0.00 0.00 174.74 176.06 2kz4 s THR 34 N 1.04 4.51 0.42 1.30 2.01 -1.25 -2.28 115.64 121.39 2kz4 s THR 34 Ca 0.08 -1.09 0.07 0.00 0.31 0.00 0.00 61.69 61.06 2kz4 s THR 34 Cb -0.13 -4.78 -0.04 0.00 0.01 0.00 0.00 72.50 67.56 2kz4 s THR 34 CO 0.04 -1.54 0.27 -1.48 -0.69 0.00 0.00 174.62 171.23 2kz4 s LEU 35 N 3.38 3.21 -0.01 4.42 0.05 -0.48 -4.76 118.68 124.49 2kz4 s LEU 35 Ca 0.31 -0.95 -0.30 0.00 0.05 0.00 0.00 54.13 53.23 2kz4 s LEU 35 Cb -0.08 -1.67 -0.07 0.00 -2.05 0.00 0.00 46.19 42.31 2kz4 s LEU 35 CO -0.03 -0.61 1.76 0.26 -0.55 0.00 0.00 176.35 177.17 2kz4 s TRP 36 N -2.56 1.80 0.30 3.48 0.52 -1.26 -2.09 118.94 119.13 2kz4 s TRP 36 Ca 0.43 -0.02 0.03 0.00 0.02 0.00 0.00 56.10 56.57 2kz4 s TRP 36 Cb 0.01 -4.04 -0.03 0.00 -1.15 0.00 0.00 33.47 28.27 2kz4 s TRP 36 CO 0.25 -4.45 0.28 0.00 0.02 0.00 0.00 176.95 173.05 2kz4 s ALA 37 N 4.00 1.42 -0.21 0.98 0.00 -0.72 -2.72 121.76 124.52 2kz4 s ALA 37 Ca 0.79 -1.84 -0.03 0.00 0.00 0.00 0.00 51.96 50.87 2kz4 s ALA 37 Cb -0.37 1.39 0.07 0.00 0.00 0.00 0.00 23.12 24.20 2kz4 s ALA 37 CO 0.34 -0.68 0.05 -1.12 0.00 0.00 0.00 175.76 174.36 2kz4 s SER 38 N -3.28 2.99 -0.35 0.00 0.01 0.02 -0.23 113.70 112.85 2kz4 s SER 38 Ca 0.38 -0.90 -0.08 0.00 1.31 0.00 0.00 55.95 56.66 2kz4 s SER 38 Cb 0.03 -0.56 0.04 0.00 0.21 0.00 0.00 66.02 65.74 2kz4 s SER 38 CO 0.22 -0.33 0.14 0.54 0.41 0.00 0.00 173.24 174.22 2kz4 s VAL 39 N 1.89 4.00 -0.02 3.43 0.11 -1.26 -1.94 120.40 126.61 2kz4 s VAL 39 Ca 0.01 -1.10 0.03 0.00 -2.93 0.00 0.00 61.98 57.99 2kz4 s VAL 39 Cb -0.17 -3.28 -0.01 0.00 -1.53 0.00 0.00 36.38 31.40 2kz4 s VAL 39 CO -0.12 -0.23 -0.11 0.20 -3.33 0.00 0.00 175.10 171.51 2kz4 s ASN 40 N 1.50 1.37 0.38 3.54 0.01 -0.53 -4.42 114.94 116.80 2kz4 s ASN 40 Ca -0.00 -0.21 -0.25 0.00 -0.71 0.00 0.00 52.86 51.69 2kz4 s ASN 40 Cb -0.20 -0.22 -0.09 0.00 0.41 0.00 0.00 41.25 41.15 2kz4 s ASN 40 CO 0.04 0.12 1.05 -0.04 -1.51 0.00 0.00 177.10 176.76 2kz4 s MET 41 N -0.14 4.24 0.10 -0.60 -1.94 -1.26 -1.10 119.30 118.59 2kz4 s MET 41 Ca 0.02 1.53 -0.31 0.00 -1.71 0.00 0.00 55.69 55.22 2kz4 s MET 41 Cb -0.06 -2.62 -0.07 0.00 2.01 0.00 0.00 34.83 34.10 2kz4 s MET 41 CO -0.00 -0.08 1.26 0.14 -0.01 0.00 0.00 175.02 176.33 2kz4 s VAL 42 N -1.61 3.73 0.50 -6.03 -7.23 -0.27 -4.82 120.40 104.67 2kz4 s VAL 42 Ca 0.56 1.27 -0.04 0.00 -1.81 0.00 0.00 61.98 61.96 2kz4 s VAL 42 Cb -0.23 -3.81 0.11 0.00 0.56 0.00 0.00 36.38 33.01 2kz4 s VAL 42 CO 0.29 0.12 0.68 -1.20 -0.31 0.00 0.00 175.10 174.67 2kz4 n SER 43 N 3.71 0.55 0.01 4.85 7.64 -1.26 -4.19 113.62 124.93 2kz4 n SER 43 Ca 0.09 -1.55 0.04 0.00 1.01 0.00 0.00 58.87 58.46 2kz4 n SER 43 Cb 0.45 -0.48 0.43 0.00 -1.01 0.00 0.00 64.21 63.61 2kz4 n SER 43 CO 0.00 0.00 0.00 0.77 -3.01 0.00 0.00 175.04 172.80 2kz4 h SER 44 N -0.62 0.45 -0.52 6.43 4.64 -2.00 -2.30 113.55 119.64 2kz4 h SER 44 Ca -0.22 -0.01 0.09 0.00 -0.47 0.00 0.00 61.79 61.18 2kz4 h SER 44 Cb 0.74 -0.11 -0.07 0.00 -0.31 0.00 0.00 62.40 62.64 2kz4 h SER 44 CO 0.21 0.33 0.09 0.50 -0.87 0.00 0.00 176.83 177.08 2kz4 h LYS 45 N 0.53 0.21 -0.29 4.77 1.63 -1.99 -1.16 116.57 120.27 2kz4 h LYS 45 Ca 0.15 -0.01 -0.05 0.00 -0.85 0.00 0.00 60.65 59.89 2kz4 h LYS 45 Cb -0.05 -0.05 -0.01 0.00 -0.60 0.00 0.00 32.23 31.53 2kz4 h LYS 45 CO -0.03 0.14 -0.00 0.93 -3.45 0.00 0.00 179.45 177.04 2kz4 h GLU 46 N 0.22 0.52 0.19 1.90 4.39 -1.78 -0.60 114.58 119.42 2kz4 h GLU 46 Ca 0.26 -0.17 -0.01 0.00 0.34 0.00 0.00 59.36 59.79 2kz4 h GLU 46 Cb 0.37 -0.05 0.00 0.00 -0.10 0.00 0.00 28.75 28.97 2kz4 h GLU 46 CO -0.36 0.67 -0.09 0.00 -1.16 0.00 0.00 179.01 178.07 2kz4 h ALA 47 N 0.83 -0.25 -0.66 3.43 0.00 -1.39 -1.59 119.26 119.64 2kz4 h ALA 47 Ca 0.08 -0.09 -0.04 0.00 0.00 0.00 0.00 54.91 54.86 2kz4 h ALA 47 Cb 0.43 0.10 -0.03 0.00 0.00 0.00 0.00 17.79 18.29 2kz4 h ALA 47 CO 0.02 -0.60 0.24 0.82 0.00 0.00 0.00 179.25 179.72 2kz4 h ILE 48 N -0.33 1.24 0.00 0.00 2.04 -1.18 0.68 117.51 119.97 2kz4 h ILE 48 Ca -0.03 -0.78 -0.15 0.00 1.00 0.00 0.00 64.86 64.90 2kz4 h ILE 48 Cb 0.25 0.48 -0.02 0.00 -0.74 0.00 0.00 36.82 36.79 2kz4 h ILE 48 CO 0.04 0.31 -0.73 -1.28 0.00 0.00 0.00 178.15 176.49 2kz4 h SER 49 N 0.97 0.00 0.26 1.72 0.87 -1.07 -3.18 113.55 113.11 2kz4 h SER 49 Ca 0.22 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.78 2kz4 h SER 49 Cb 0.23 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.19 2kz4 h SER 49 CO -0.01 0.73 -0.73 -1.20 -0.53 0.00 0.00 176.83 175.09 2kz4 n SER 50 N -3.46 0.76 0.00 6.23 7.64 -0.60 -5.01 113.62 119.17 2kz4 n SER 50 Ca 0.00 -0.62 0.00 0.00 1.01 0.00 0.00 58.87 59.26 2kz4 n SER 50 Cb 0.77 0.60 0.00 0.00 -1.01 0.00 0.00 64.21 64.57 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 1.50 2.32 0.00 0.23 0.00 0.21 -2.52 105.19 106.93 2kz4 n GLY 51 Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.07 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 0.30 0.37 4.61 0.00 -1.26 -4.69 120.51 119.84 2kz4 n ALA 52 Ca 0.00 -0.09 -0.15 0.00 0.00 0.00 0.00 53.44 53.20 2kz4 n ALA 52 Cb 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 19.38 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 -0.94 -5.82 0.00 4.22 -1.80 -3.41 114.58 106.84 2kz4 h GLU 53 Ca 0.00 0.06 -0.64 0.00 0.08 0.00 0.00 59.36 58.86 2kz4 h GLU 53 Cb 0.65 0.21 -0.06 0.00 0.50 0.00 0.00 28.75 30.05 2kz4 h GLU 53 CO 0.00 -0.62 -0.39 -0.51 -2.18 0.00 0.00 179.01 175.30 2kz4 s LEU 54 N -9.05 4.40 0.02 1.64 1.43 -1.26 -5.12 118.68 110.74 2kz4 s LEU 54 Ca -0.14 0.59 -0.00 0.00 -1.03 0.00 0.00 54.13 53.55 2kz4 s LEU 54 Cb 0.01 -2.42 -0.02 0.00 0.03 0.00 0.00 46.19 43.79 2kz4 s LEU 54 CO 0.43 0.33 -0.03 0.00 0.23 0.00 0.00 176.35 177.31 2kz4 s ALA 55 N -1.15 0.16 -0.08 4.21 0.00 -1.26 -4.10 121.76 119.53 2kz4 s ALA 55 Ca 0.22 -0.67 -0.33 0.00 0.00 0.00 0.00 51.96 51.18 2kz4 s ALA 55 Cb -0.13 0.17 -0.11 0.00 0.00 0.00 0.00 23.12 23.04 2kz4 s ALA 55 CO 0.11 -0.19 1.92 -0.89 0.00 0.00 0.00 175.76 176.71 2kz4 n ILE 56 N 1.40 0.60 0.00 0.00 5.41 -1.26 -1.29 119.36 124.22 2kz4 n ILE 56 Ca -0.23 -0.13 0.00 0.00 1.00 0.00 0.00 62.75 63.40 2kz4 n ILE 56 Cb 0.56 -1.96 0.00 0.00 -0.71 0.00 0.00 39.64 37.53 2kz4 n ILE 56 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 2kz4 n GLY 57 N 4.54 1.55 3.80 7.39 0.00 -1.26 -5.10 105.19 116.10 2kz4 n GLY 57 Ca 0.23 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.92 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 -2.05 3.70 -0.15 2.61 2.01 -0.41 -4.41 115.64 116.95 2kz4 s THR 58 Ca 0.00 0.83 -0.01 0.00 0.31 0.00 0.00 61.69 62.82 2kz4 s THR 58 Cb 0.00 -3.34 0.04 0.00 0.01 0.00 0.00 72.50 69.21 2kz4 s THR 58 CO 0.00 -0.45 -0.02 -0.69 -0.69 0.00 0.00 174.62 172.78 2kz4 s VAL 59 N -2.37 0.76 -0.03 3.82 1.01 0.41 -1.11 120.40 122.89 2kz4 s VAL 59 Ca 0.65 -0.40 -0.22 0.00 0.00 0.00 0.00 61.98 62.01 2kz4 s VAL 59 Cb -0.17 -1.01 -0.04 0.00 0.00 0.00 0.00 36.38 35.15 2kz4 s VAL 59 CO 0.36 0.09 0.66 -0.60 0.00 0.00 0.00 175.10 175.60 2kz4 s ARG 60 N 1.78 4.40 -0.19 2.72 3.52 -0.26 -0.81 118.95 130.11 2kz4 s ARG 60 Ca 0.02 0.83 -0.04 0.00 -0.13 0.00 0.00 55.73 56.40 2kz4 s ARG 60 Cb -0.15 -3.40 0.06 0.00 -1.56 0.00 0.00 34.95 29.90 2kz4 s ARG 60 CO -0.07 0.20 0.08 0.42 -0.81 0.00 0.00 175.30 175.12 2kz4 s ILE 61 N 0.35 0.04 -0.23 4.11 1.01 -0.42 -1.45 121.20 124.61 2kz4 s ILE 61 Ca 0.35 -0.31 -0.15 0.00 0.00 0.00 0.00 60.65 60.54 2kz4 s ILE 61 Cb -0.18 -0.71 -0.04 0.00 0.01 0.00 0.00 42.46 41.54 2kz4 s ILE 61 CO 0.18 -0.31 0.38 0.26 0.00 0.00 0.00 174.94 175.45 2kz4 s TRP 62 N 2.08 3.32 0.35 3.97 0.52 -0.82 -0.77 118.94 127.59 2kz4 s TRP 62 Ca 0.02 0.52 0.09 0.00 0.02 0.00 0.00 56.10 56.75 2kz4 s TRP 62 Cb -0.16 -2.54 -0.06 0.00 -1.15 0.00 0.00 33.47 29.56 2kz4 s TRP 62 CO -0.11 -0.10 0.01 0.96 0.02 0.00 0.00 176.95 177.72 2kz4 s ILE 63 N 1.65 2.53 0.33 2.03 -4.36 -0.55 -0.80 121.20 122.04 2kz4 s ILE 63 Ca 0.17 -1.99 -0.28 0.00 -0.26 0.00 0.00 60.65 58.29 2kz4 s ILE 63 Cb -0.15 -2.80 -0.13 0.00 1.25 0.00 0.00 42.46 40.64 2kz4 s ILE 63 CO 0.08 -0.18 1.21 0.54 0.24 0.00 0.00 174.94 176.84 2kz4 n ARG 64 N -0.95 1.91 -1.66 0.37 5.12 -1.10 -0.56 116.66 119.79 2kz4 n ARG 64 Ca -0.04 0.67 -0.47 0.00 -1.93 0.00 0.00 57.85 56.08 2kz4 n ARG 64 Cb 0.63 -2.20 -0.04 0.00 -1.16 0.00 0.00 32.46 29.68 2kz4 n ARG 64 CO 0.00 0.00 0.00 0.98 -1.93 0.00 0.00 177.63 176.68 2kz4 n TYR 65 N 0.27 2.20 -3.70 -1.55 9.36 -1.26 -4.49 117.16 118.00 2kz4 n TYR 65 Ca 0.06 0.29 -0.11 0.00 3.32 0.00 0.00 57.90 61.47 2kz4 n TYR 65 Cb 0.35 -2.53 -0.11 0.00 -0.63 0.00 0.00 39.34 36.42 2kz4 n TYR 65 CO 0.00 0.00 0.00 1.03 0.22 0.00 0.00 176.86 178.11 2kz4 s ARG 66 N 1.02 0.36 0.15 2.98 0.52 -1.26 -4.96 118.95 117.77 2kz4 s ARG 66 Ca 0.80 0.77 0.26 0.00 -0.52 0.00 0.00 55.73 57.05 2kz4 s ARG 66 Cb -0.71 -0.02 0.79 0.00 0.52 0.00 0.00 34.95 35.53 2kz4 s ARG 66 CO 0.39 -0.17 1.71 1.63 0.02 0.00 0.00 175.30 178.89 2kz4 n LYS 67 N 4.34 0.22 0.09 3.54 4.76 -1.26 -3.97 118.16 125.87 2kz4 n LYS 67 Ca -0.23 0.15 0.09 0.00 -2.87 0.00 0.00 58.31 55.45 2kz4 n LYS 67 Cb 0.55 -1.73 -0.02 0.00 -1.84 0.00 0.00 35.03 31.99 2kz4 n LYS 67 CO 0.00 0.00 0.00 -0.40 -1.37 0.00 0.00 177.40 175.63 2kz4 n ASP 68 N -2.09 0.86 -4.70 4.39 5.75 -1.26 -4.84 116.55 114.65 2kz4 n ASP 68 Ca 0.05 0.34 -0.42 0.00 -0.01 0.00 0.00 54.79 54.75 2kz4 n ASP 68 Cb 0.41 0.37 -0.03 0.00 -1.03 0.00 0.00 41.12 40.85 2kz4 n ASP 68 CO 0.00 0.00 0.00 -0.63 -0.11 0.00 0.00 177.20 176.46 2kz4 s ILE 69 N -3.25 4.31 0.17 2.12 -1.09 -1.25 -5.03 121.20 117.18 2kz4 s ILE 69 Ca -0.01 1.65 -0.02 0.00 -2.23 0.00 0.00 60.65 60.04 2kz4 s ILE 69 Cb 0.09 -4.06 -0.04 0.00 -1.58 0.00 0.00 42.46 36.88 2kz4 s ILE 69 CO 0.80 0.09 0.12 0.21 -1.23 0.00 0.00 174.94 174.93 2kz4 s ASN 70 N 1.15 0.20 0.00 3.58 2.47 -1.26 -4.85 114.94 116.23 2kz4 s ASN 70 Ca 0.56 -1.29 0.07 0.00 0.42 0.00 0.00 52.86 52.62 2kz4 s ASN 70 Cb -0.26 0.36 0.32 0.00 -1.45 0.00 0.00 41.25 40.22 2kz4 s ASN 70 CO 0.27 -0.81 1.14 0.00 -3.72 0.00 0.00 177.10 173.98 2kz4 n ALA 71 N -0.21 1.42 0.42 1.71 0.00 -1.26 -2.62 120.51 119.97 2kz4 n ALA 71 Ca -0.01 -0.03 0.02 0.00 0.00 0.00 0.00 53.44 53.42 2kz4 n ALA 71 Cb 0.65 -1.11 0.12 0.00 0.00 0.00 0.00 19.45 19.11 2kz4 n ALA 71 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 2kz4 n THR 72 N -1.38 0.85 -4.44 0.00 -2.24 -1.26 -4.46 114.28 101.34 2kz4 n THR 72 Ca 0.03 -0.43 -0.22 0.00 -2.27 0.00 0.00 64.05 61.16 2kz4 n THR 72 Cb 0.07 -0.43 -0.10 0.00 -2.10 0.00 0.00 70.33 67.77 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 -0.24 2.27 -0.01 3.42 0.01 -1.08 -3.87 113.70 114.20 2kz4 s SER 73 Ca 0.17 -1.48 0.08 0.00 1.31 0.00 0.00 55.95 56.03 2kz4 s SER 73 Cb 0.13 0.17 -0.02 0.00 0.21 0.00 0.00 66.02 66.51 2kz4 s SER 73 CO 0.05 -0.75 -0.26 -0.13 0.41 0.00 0.00 173.24 172.56 2kz4 s ARG 74 N -3.86 2.07 -0.48 12.44 0.52 -0.44 -2.79 118.95 126.41 2kz4 s ARG 74 Ca 0.32 -0.95 -0.17 0.00 -0.52 0.00 0.00 55.73 54.41 2kz4 s ARG 74 Cb 0.06 -2.04 0.07 0.00 0.52 0.00 0.00 34.95 33.56 2kz4 s ARG 74 CO 0.15 0.55 0.47 0.42 0.02 0.00 0.00 175.30 176.91 2kz4 s ILE 75 N -0.64 5.12 -0.09 1.52 -1.09 0.11 -1.02 121.20 125.11 2kz4 s ILE 75 Ca 0.10 -0.86 -0.19 0.00 -2.23 0.00 0.00 60.65 57.47 2kz4 s ILE 75 Cb -0.10 -4.18 -0.04 0.00 -1.58 0.00 0.00 42.46 36.56 2kz4 s ILE 75 CO -0.01 -0.64 0.53 -0.75 -1.23 0.00 0.00 174.94 172.85 2kz4 s LYS 76 N 1.97 4.34 -0.18 2.79 2.20 -0.94 -0.75 119.74 129.17 2kz4 s LYS 76 Ca 0.08 0.57 -0.26 0.00 -0.36 0.00 0.00 55.97 56.00 2kz4 s LYS 76 Cb -0.22 -3.42 -0.01 0.00 -1.51 0.00 0.00 37.83 32.67 2kz4 s LYS 76 CO 0.09 0.19 0.86 0.08 -0.36 0.00 0.00 175.35 176.20 2kz4 s VAL 77 N 0.48 4.86 -0.04 4.02 1.01 -0.58 -0.82 120.40 129.33 2kz4 s VAL 77 Ca 0.29 1.68 -0.09 0.00 0.00 0.00 0.00 61.98 63.86 2kz4 s VAL 77 Cb -0.16 -4.16 -0.30 0.00 0.00 0.00 0.00 36.38 31.77 2kz4 s VAL 77 CO 0.13 -0.00 0.68 -1.28 0.00 0.00 0.00 175.10 174.63 2kz4 h SER 78 N 7.37 0.55 -3.27 3.32 0.87 -1.67 -1.85 113.55 118.86 2kz4 h SER 78 Ca -0.28 -0.84 -0.20 0.00 -1.23 0.00 0.00 61.79 59.25 2kz4 h SER 78 Cb 1.12 -0.18 -0.30 0.00 -0.44 0.00 0.00 62.40 62.60 2kz4 h SER 78 CO 0.85 1.71 -0.49 0.42 -0.53 0.00 0.00 176.83 178.80 2kz4 s THR 79 N -2.59 -0.10 -5.00 2.23 -4.23 -1.13 -4.65 115.64 100.17 2kz4 s THR 79 Ca -0.15 0.17 0.00 0.00 -1.18 0.00 0.00 61.69 60.53 2kz4 s THR 79 Cb 0.06 -0.40 0.00 0.00 1.34 0.00 0.00 72.50 73.50 2kz4 s THR 79 CO 0.85 0.07 0.00 0.61 -0.54 0.00 0.00 174.62 175.61 2kz4 n GLY 80 N 4.41 -0.10 0.00 3.99 0.00 -1.26 -4.17 105.19 108.06 2kz4 n GLY 80 Ca -0.22 -1.59 0.11 0.00 0.00 0.00 0.00 46.02 44.32 2kz4 n GLY 80 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2kz4 n PRO 81 N 0.00 0.63 -1.46 1.61 -0.04 -1.26 -2.85 135.00 131.63 2kz4 n PRO 81 Ca 0.00 0.02 -0.00 0.00 -0.04 0.00 0.00 63.50 63.48 2kz4 n PRO 81 Cb 0.00 -1.50 0.09 0.00 -0.04 0.00 0.00 33.50 32.05 2kz4 n PRO 81 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 2kz4 n LEU 82 N -1.06 2.27 -4.57 1.53 4.77 -1.26 -5.08 117.00 113.59 2kz4 n LEU 82 Ca 0.16 -3.23 -0.40 0.00 -0.03 0.00 0.00 56.01 52.51 2kz4 n LEU 82 Cb 0.10 -0.16 -0.03 0.00 -2.33 0.00 0.00 43.42 41.00 2kz4 n LEU 82 CO 0.14 1.14 1.91 0.00 -1.33 0.00 0.00 177.39 179.25 2kz4 s ALA 83 N -2.24 2.19 0.00 -1.18 0.00 -1.13 -1.20 121.76 118.20 2kz4 s ALA 83 Ca 0.37 0.35 0.00 0.00 0.00 0.00 0.00 51.96 52.67 2kz4 s ALA 83 Cb 0.38 -4.21 0.00 0.00 0.00 0.00 0.00 23.12 19.28 2kz4 s ALA 83 CO -0.08 -3.63 0.00 0.41 0.00 0.00 0.00 175.76 172.46 2kz4 n GLY 84 N 5.86 2.21 3.89 0.00 0.00 -0.70 -5.02 105.19 111.44 2kz4 n GLY 84 Ca 0.32 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 46.05 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 -0.13 3.64 -0.35 1.61 0.52 -0.34 -4.90 118.95 118.99 2kz4 s ARG 85 Ca 0.00 0.42 0.02 0.00 -0.52 0.00 0.00 55.73 55.65 2kz4 s ARG 85 Cb 0.00 -2.31 0.10 0.00 0.52 0.00 0.00 34.95 33.27 2kz4 s ARG 85 CO 0.00 -0.24 0.09 0.54 0.02 0.00 0.00 175.30 175.72 2kz4 s VAL 86 N -2.72 1.74 0.36 3.52 0.11 -1.26 -1.52 120.40 120.62 2kz4 s VAL 86 Ca 0.51 -2.09 -0.19 0.00 -2.93 0.00 0.00 61.98 57.27 2kz4 s VAL 86 Cb -0.10 -2.28 -0.10 0.00 -1.53 0.00 0.00 36.38 32.37 2kz4 s VAL 86 CO 0.42 -0.66 0.85 -0.76 -3.33 0.00 0.00 175.10 171.63 2kz4 s LEU 87 N 1.04 4.07 -0.05 2.54 2.01 0.07 -3.75 118.68 124.60 2kz4 s LEU 87 Ca 0.11 1.54 0.02 0.00 0.01 0.00 0.00 54.13 55.81 2kz4 s LEU 87 Cb -0.19 -4.23 -0.03 0.00 0.01 0.00 0.00 46.19 41.75 2kz4 s LEU 87 CO -0.13 -0.23 -0.07 0.20 1.01 0.00 0.00 176.35 177.12 2kz4 s ASN 88 N -2.09 4.61 -0.77 2.29 -0.87 0.01 0.09 114.94 118.21 2kz4 s ASN 88 Ca 0.56 -0.06 -0.26 0.00 -1.57 0.00 0.00 52.86 51.53 2kz4 s ASN 88 Cb -0.11 -1.13 0.04 0.00 -0.02 0.00 0.00 41.25 40.03 2kz4 s ASN 88 CO 0.17 0.34 1.28 -0.63 -2.57 0.00 0.00 177.10 175.68 2kz4 s ILE 89 N -0.85 3.80 0.35 0.60 1.01 -1.12 -1.52 121.20 123.47 2kz4 s ILE 89 Ca 0.14 0.19 -0.23 0.00 0.00 0.00 0.00 60.65 60.74 2kz4 s ILE 89 Cb -0.11 -4.92 -0.10 0.00 0.01 0.00 0.00 42.46 37.34 2kz4 s ILE 89 CO 0.03 -1.84 0.91 0.27 0.00 0.00 0.00 174.94 174.32 2kz4 s ILE 90 N 5.49 4.33 0.00 2.92 -4.36 -1.08 -4.69 121.20 123.81 2kz4 s ILE 90 Ca 0.35 1.61 0.00 0.00 -0.26 0.00 0.00 60.65 62.36 2kz4 s ILE 90 Cb -0.08 -3.84 0.00 0.00 1.25 0.00 0.00 42.46 39.80 2kz4 s ILE 90 CO 0.11 -0.02 0.00 0.61 0.24 0.00 0.00 174.94 175.88 2kz4 n GLY 91 N 0.12 1.73 3.58 6.27 0.00 -1.26 -4.63 105.19 111.01 2kz4 n GLY 91 Ca 0.03 -0.09 -0.15 0.00 0.00 0.00 0.00 46.02 45.81 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 0.86 0.02 1.61 -2.07 -1.26 -4.81 119.66 114.01 2kz4 s GLN 92 Ca 0.00 0.58 -0.30 0.00 -1.82 0.00 0.00 55.36 53.81 2kz4 s GLN 92 Cb 0.00 0.41 -0.06 0.00 -1.09 0.00 0.00 33.01 32.27 2kz4 s GLN 92 CO 0.00 -0.19 1.43 -1.25 -1.32 0.00 0.00 175.29 173.96 2kz4 s PRO 93 N -0.40 4.28 -0.31 9.60 0.04 -1.26 -4.69 135.00 142.25 2kz4 s PRO 93 Ca -0.04 2.03 -0.04 0.00 0.04 0.00 0.00 61.00 62.98 2kz4 s PRO 93 Cb -0.03 -3.54 0.03 0.00 0.04 0.00 0.00 34.50 31.01 2kz4 s PRO 93 CO 0.04 -0.58 0.05 -1.17 0.04 0.00 0.00 177.00 175.37 2kz4 s LEU 94 N 2.27 3.94 0.40 -3.56 1.98 -0.38 -5.01 118.68 118.32 2kz4 s LEU 94 Ca 0.65 -1.05 -0.25 0.00 -2.89 0.00 0.00 54.13 50.59 2kz4 s LEU 94 Cb -0.33 -1.80 -0.11 0.00 0.66 0.00 0.00 46.19 44.61 2kz4 s LEU 94 CO 0.28 -0.25 1.11 -2.65 -1.89 0.00 0.00 176.35 172.95 2kz4 n PRO 95 N 4.75 1.59 -1.09 0.98 -0.02 -1.26 -1.20 135.00 138.75 2kz4 n PRO 95 Ca -0.14 0.57 -0.35 0.00 -2.02 0.00 0.00 63.50 61.56 2kz4 n PRO 95 Cb 0.45 -2.14 0.09 0.00 -0.02 0.00 0.00 33.50 31.88 2kz4 n PRO 95 CO 0.00 0.00 0.00 -3.47 1.98 0.00 0.00 175.50 174.01 2kz4 n ASP 96 N 0.53 -1.51 -0.13 2.55 2.03 -1.01 -4.72 116.55 114.30 2kz4 n ASP 96 Ca 0.08 0.49 0.01 0.00 0.52 0.00 0.00 54.79 55.90 2kz4 n ASP 96 Cb 0.38 -1.22 0.30 0.00 -0.72 0.00 0.00 41.12 39.87 2kz4 n ASP 96 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2kz4 h ALA 97 N -0.81 1.52 -0.01 -1.67 0.00 -1.94 -1.99 119.26 114.36 2kz4 h ALA 97 Ca -0.45 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.40 2kz4 h ALA 97 Cb 1.32 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 18.87 2kz4 h ALA 97 CO 0.39 0.42 -0.56 0.00 0.00 0.00 0.00 179.25 179.51 2kz4 n ALA 98 N -2.44 3.75 -1.99 0.00 0.00 -1.26 -4.98 120.51 113.58 2kz4 n ALA 98 Ca 0.06 -0.56 -0.19 0.00 0.00 0.00 0.00 53.44 52.76 2kz4 n ALA 98 Cb 0.06 -0.89 -0.04 0.00 0.00 0.00 0.00 19.45 18.58 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 -0.65 -1.40 0.00 0.00 3.00 -0.75 -4.88 116.66 111.99 2kz4 n ARG 99 Ca 0.08 1.01 0.14 0.00 -0.01 0.00 0.00 57.85 59.08 2kz4 n ARG 99 Cb 0.40 -5.44 0.66 0.00 0.00 0.00 0.00 32.46 28.08 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 -3.33 0.00 -3.75 0.55 -2.24 -1.26 -4.86 114.28 99.39 2kz4 n THR 100 Ca -0.21 -0.04 -0.02 0.00 -2.27 0.00 0.00 64.05 61.51 2kz4 n THR 100 Cb 0.64 -0.21 0.01 0.00 -2.10 0.00 0.00 70.33 68.67 2kz4 n THR 100 CO 0.00 0.00 0.00 -2.11 -0.57 0.00 0.00 175.07 172.39 2kz4 n ARG 101 N -1.03 0.40 -3.72 -0.78 1.85 -1.26 -4.24 116.66 107.88 2kz4 n ARG 101 Ca 0.15 -0.94 -0.23 0.00 -1.00 0.00 0.00 57.85 55.83 2kz4 n ARG 101 Cb 0.26 1.28 -0.18 0.00 -1.05 0.00 0.00 32.46 32.78 2kz4 n ARG 101 CO 0.00 0.00 0.00 -1.17 -0.01 0.00 0.00 177.63 176.45 2kz4 s LEU 102 N 0.00 0.49 -0.52 2.89 1.98 0.28 -2.39 118.68 121.41 2kz4 s LEU 102 Ca 0.15 -0.15 -0.28 0.00 -2.89 0.00 0.00 54.13 50.96 2kz4 s LEU 102 Cb -0.02 -0.35 0.03 0.00 0.66 0.00 0.00 46.19 46.51 2kz4 s LEU 102 CO 0.03 -0.24 1.13 -0.70 -1.89 0.00 0.00 176.35 174.69 2kz4 s GLU 103 N 2.04 3.62 0.12 1.98 2.12 -0.34 -1.48 118.70 126.75 2kz4 s GLU 103 Ca 0.04 0.39 0.02 0.00 0.36 0.00 0.00 54.97 55.78 2kz4 s GLU 103 Cb -0.13 -3.95 -0.04 0.00 0.26 0.00 0.00 34.13 30.27 2kz4 s GLU 103 CO -0.05 -1.48 0.25 0.42 -0.54 0.00 0.00 175.26 173.86 2kz4 s ILE 104 N 4.56 5.32 0.03 -3.70 -1.09 0.05 -1.25 121.20 125.13 2kz4 s ILE 104 Ca 0.45 -0.59 0.03 0.00 -2.23 0.00 0.00 60.65 58.31 2kz4 s ILE 104 Cb -0.08 -3.69 -0.02 0.00 -1.58 0.00 0.00 42.46 37.10 2kz4 s ILE 104 CO 0.29 -0.01 -0.10 -1.48 -1.23 0.00 0.00 174.94 172.41 2kz4 s LEU 105 N -2.97 2.18 0.27 2.97 2.34 -1.26 -1.31 118.68 120.90 2kz4 s LEU 105 Ca 0.35 -0.43 -0.10 0.00 0.06 0.00 0.00 54.13 54.00 2kz4 s LEU 105 Cb -0.12 -0.36 -0.00 0.00 -0.56 0.00 0.00 46.19 45.15 2kz4 s LEU 105 CO 0.28 -0.06 0.45 0.00 -1.06 0.00 0.00 176.35 175.96 2kz4 s ARG 107 N -3.78 1.20 0.61 0.00 3.52 -0.57 -0.44 118.95 119.49 2kz4 s ARG 107 Ca 0.25 -0.33 -0.18 0.00 -0.13 0.00 0.00 55.73 55.35 2kz4 s ARG 107 Cb -0.00 0.56 -0.12 0.00 -1.56 0.00 0.00 34.95 33.83 2kz4 s ARG 107 CO 0.12 -0.50 0.08 0.39 -0.81 0.00 0.00 175.30 174.57 2kz4 n GLU 108 N -0.14 0.18 -0.97 5.12 -0.58 -1.26 -0.81 120.64 122.18 2kz4 n GLU 108 Ca -0.17 0.07 -0.16 0.00 -0.42 0.00 0.00 57.16 56.48 2kz4 n GLU 108 Cb 0.63 -1.31 0.00 0.00 -0.57 0.00 0.00 31.44 30.19 2kz4 n GLU 108 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2kz4 n GLY 109 N 2.28 3.89 3.81 0.62 0.00 -1.25 -4.66 105.19 109.88 2kz4 n GLY 109 Ca 0.08 -1.13 -0.22 0.00 0.00 0.00 0.00 46.02 44.76 2kz4 n GLY 109 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2kz4 s ALA 110 N -1.40 3.75 -0.76 4.61 0.00 -1.26 -4.74 121.76 121.96 2kz4 s ALA 110 Ca 0.35 -1.81 0.00 0.00 0.00 0.00 0.00 51.96 50.50 2kz4 s ALA 110 Cb 0.25 -0.91 0.00 0.00 0.00 0.00 0.00 23.12 22.46 2kz4 s ALA 110 CO -0.05 -0.06 0.00 0.39 0.00 0.00 0.00 175.76 176.05 2kz4 n GLU 111 N -1.33 -1.34 0.00 0.00 1.02 -1.26 -5.15 120.64 112.58 2kz4 n GLU 111 Ca -0.01 0.69 0.00 0.00 -0.02 0.00 0.00 57.16 57.82 2kz4 n GLU 111 Cb 0.61 -4.84 0.00 0.00 -0.02 0.00 0.00 31.44 27.19 2kz4 n GLU 111 CO 0.00 0.00 0.00 1.17 1.18 0.00 0.00 177.13 179.48