#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 -0.59 -0.71 7.83 2.47 -1.26 -5.10 114.94 117.59 2kz4 s ASN 2 Ca 0.00 0.28 -0.26 0.00 0.42 0.00 0.00 52.86 53.30 2kz4 s ASN 2 Cb 0.00 0.56 -0.03 0.00 -1.45 0.00 0.00 41.25 40.33 2kz4 s ASN 2 CO 0.00 -0.81 1.89 -0.63 -3.72 0.00 0.00 177.10 173.83 2kz4 s ILE 3 N -2.71 3.38 -1.00 -5.21 1.09 -1.26 -4.87 121.20 110.63 2kz4 s ILE 3 Ca -0.03 0.02 -0.06 0.00 -1.10 0.00 0.00 60.65 59.47 2kz4 s ILE 3 Cb -0.01 -3.96 -0.02 0.00 -1.06 0.00 0.00 42.46 37.42 2kz4 s ILE 3 CO -0.04 -0.92 2.85 0.61 -0.10 0.00 0.00 174.94 177.35 2kz4 n GLY 4 N 6.07 4.37 1.52 6.18 0.00 -1.26 -4.11 105.19 117.96 2kz4 n GLY 4 Ca 0.27 -1.71 0.00 0.00 0.00 0.00 0.00 46.02 44.58 2kz4 n GLY 4 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2kz4 n ARG 5 N 2.22 0.00 -2.02 1.61 5.12 -1.26 -5.02 116.66 117.31 2kz4 n ARG 5 Ca 0.61 0.00 -0.27 0.00 -1.93 0.00 0.00 57.85 56.26 2kz4 n ARG 5 Cb 0.42 -0.21 -0.05 0.00 -1.16 0.00 0.00 32.46 31.46 2kz4 n ARG 5 CO 0.00 0.00 0.00 -0.51 -1.93 0.00 0.00 177.63 175.19 2kz4 s LEU 6 N -6.71 3.16 0.00 0.55 1.02 -1.26 -3.87 118.68 111.57 2kz4 s LEU 6 Ca 0.00 -0.55 0.00 0.00 0.02 0.00 0.00 54.13 53.60 2kz4 s LEU 6 Cb 0.00 -2.56 0.00 0.00 0.02 0.00 0.00 46.19 43.65 2kz4 s LEU 6 CO 0.00 -2.78 0.00 -2.11 0.02 0.00 0.00 176.35 171.48 2kz4 n ARG 7 N 8.88 4.25 -2.02 1.70 1.85 -0.54 -4.71 116.66 126.07 2kz4 n ARG 7 Ca 0.39 0.00 -0.02 0.00 -1.00 0.00 0.00 57.85 57.22 2kz4 n ARG 7 Cb 0.47 -0.64 -0.00 0.00 -1.05 0.00 0.00 32.46 31.24 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 -1.09 1.77 -3.98 2.89 8.00 0.10 -4.96 116.55 119.29 2kz4 n ASP 8 Ca 0.00 -1.16 -0.15 0.00 0.71 0.00 0.00 54.79 54.19 2kz4 n ASP 8 Cb 0.00 0.02 -0.14 0.00 -0.02 0.00 0.00 41.12 40.98 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 -2.15 0.41 0.01 -1.24 0.52 -1.26 -1.68 118.95 113.55 2kz4 s ARG 9 Ca 0.01 -0.32 0.02 0.00 -0.52 0.00 0.00 55.73 54.91 2kz4 s ARG 9 Cb -0.00 -0.33 -0.01 0.00 0.52 0.00 0.00 34.95 35.13 2kz4 s ARG 9 CO 0.01 0.08 -0.06 0.96 0.02 0.00 0.00 175.30 176.31 2kz4 s ILE 10 N -0.46 0.44 -0.29 1.52 -0.00 -0.56 -1.63 121.20 120.22 2kz4 s ILE 10 Ca -0.02 -0.51 -0.10 0.00 -0.00 0.00 0.00 60.65 60.02 2kz4 s ILE 10 Cb -0.04 -0.43 -0.04 0.00 -0.00 0.00 0.00 42.46 41.96 2kz4 s ILE 10 CO -0.00 -0.06 0.17 -0.89 -0.00 0.00 0.00 174.94 174.15 2kz4 s THR 11 N -0.56 5.01 -0.95 8.37 2.01 0.29 -2.13 115.64 127.68 2kz4 s THR 11 Ca -0.02 -0.03 -0.23 0.00 0.31 0.00 0.00 61.69 61.72 2kz4 s THR 11 Cb -0.05 -3.42 0.06 0.00 0.01 0.00 0.00 72.50 69.10 2kz4 s THR 11 CO -0.00 0.21 1.37 -0.63 -0.69 0.00 0.00 174.62 174.88 2kz4 s ILE 12 N 1.71 3.99 -0.88 1.82 -1.09 -0.69 -1.54 121.20 124.51 2kz4 s ILE 12 Ca 0.06 -0.63 -0.23 0.00 -2.23 0.00 0.00 60.65 57.63 2kz4 s ILE 12 Cb -0.16 -4.99 0.07 0.00 -1.58 0.00 0.00 42.46 35.80 2kz4 s ILE 12 CO 0.09 -1.86 1.25 -1.58 -1.23 0.00 0.00 174.94 171.61 2kz4 s GLN 13 N 4.83 3.43 0.51 2.79 0.74 -0.29 -0.66 119.66 131.01 2kz4 s GLN 13 Ca 0.42 -1.05 -0.17 0.00 0.05 0.00 0.00 55.36 54.61 2kz4 s GLN 13 Cb -0.03 -4.81 -0.08 0.00 1.10 0.00 0.00 33.01 29.19 2kz4 s GLN 13 CO -0.05 -2.02 0.98 0.95 -0.55 0.00 0.00 175.29 174.60 2kz4 s THR 14 N 4.40 4.52 -0.50 -0.34 -4.23 0.19 -0.85 115.64 118.84 2kz4 s THR 14 Ca 0.36 1.23 -0.26 0.00 -1.18 0.00 0.00 61.69 61.84 2kz4 s THR 14 Cb -0.06 -3.71 0.03 0.00 1.34 0.00 0.00 72.50 70.10 2kz4 s THR 14 CO -0.01 -0.66 1.01 -0.22 -0.54 0.00 0.00 174.62 174.20 2kz4 s LEU 15 N -3.99 3.86 -0.86 4.79 2.96 -1.04 -0.83 118.68 123.57 2kz4 s LEU 15 Ca 0.59 0.11 -0.22 0.00 -0.22 0.00 0.00 54.13 54.39 2kz4 s LEU 15 Cb -0.10 -3.21 0.07 0.00 0.50 0.00 0.00 46.19 43.46 2kz4 s LEU 15 CO 0.30 -1.19 1.21 -0.75 -1.32 0.00 0.00 176.35 174.60 2kz4 s LYS 16 N 4.11 3.40 -0.48 1.98 2.20 0.62 -4.88 119.74 126.69 2kz4 s LYS 16 Ca 0.39 -1.07 -0.24 0.00 -0.36 0.00 0.00 55.97 54.69 2kz4 s LYS 16 Cb -0.09 -4.75 0.03 0.00 -1.51 0.00 0.00 37.83 31.51 2kz4 s LYS 16 CO 0.26 -1.98 0.85 -0.65 -0.36 0.00 0.00 175.35 173.47 2kz4 s GLN 17 N 4.24 3.40 -0.06 4.03 -0.21 -1.26 -1.11 119.66 128.69 2kz4 s GLN 17 Ca 0.34 -0.13 0.02 0.00 0.02 0.00 0.00 55.36 55.61 2kz4 s GLN 17 Cb -0.07 -3.98 0.02 0.00 1.00 0.00 0.00 33.01 29.98 2kz4 s GLN 17 CO -0.00 -1.25 -0.10 0.99 -2.12 0.00 0.00 175.29 172.81 2kz4 s THR 18 N 3.54 0.99 0.47 -0.19 2.01 -0.83 -4.97 115.64 116.65 2kz4 s THR 18 Ca 0.31 -0.39 -0.21 0.00 0.31 0.00 0.00 61.69 61.71 2kz4 s THR 18 Cb -0.12 -0.93 -0.08 0.00 0.01 0.00 0.00 72.50 71.38 2kz4 s THR 18 CO 0.22 0.33 1.07 -0.60 -0.69 0.00 0.00 174.62 174.95 2kz4 s ARG 19 N 0.78 3.82 0.41 4.92 3.52 -1.26 -0.78 118.95 130.35 2kz4 s ARG 19 Ca -0.13 1.50 0.08 0.00 -0.13 0.00 0.00 55.73 57.05 2kz4 s ARG 19 Cb -0.15 -2.24 0.00 0.00 -1.56 0.00 0.00 34.95 31.00 2kz4 s ARG 19 CO 0.02 -0.44 0.52 0.34 -0.81 0.00 0.00 175.30 174.93 2kz4 s ASP 20 N -1.75 5.58 0.32 -2.12 2.15 -0.03 -4.89 116.67 115.93 2kz4 s ASP 20 Ca 0.65 -0.45 0.23 0.00 0.43 0.00 0.00 52.55 53.41 2kz4 s ASP 20 Cb -0.21 -0.72 1.17 0.00 -0.30 0.00 0.00 42.92 42.87 2kz4 s ASP 20 CO 0.25 -0.69 1.69 0.00 -0.17 0.00 0.00 175.17 176.25 2kz4 n ILE 21 N -1.76 0.97 0.92 4.11 3.06 -1.26 -1.18 119.36 124.22 2kz4 n ILE 21 Ca 0.06 0.64 0.12 0.00 -2.50 0.00 0.00 62.75 61.07 2kz4 n ILE 21 Cb 0.59 -1.63 0.16 0.00 0.54 0.00 0.00 39.64 39.31 2kz4 n ILE 21 CO 0.00 0.00 0.00 0.35 -2.50 0.00 0.00 176.55 174.40 2kz4 n THR 22 N -2.29 0.04 -0.46 9.51 -2.24 -1.26 -4.95 114.28 112.63 2kz4 n THR 22 Ca -0.01 -0.05 0.00 0.00 -2.27 0.00 0.00 64.05 61.73 2kz4 n THR 22 Cb 0.08 0.33 0.00 0.00 -2.10 0.00 0.00 70.33 68.64 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 1.47 0.72 3.75 3.38 0.00 -0.32 -5.08 105.19 109.12 2kz4 n GLY 23 Ca 0.05 -0.47 -0.37 0.00 0.00 0.00 0.00 46.02 45.22 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 -0.90 4.18 -0.86 1.61 2.02 -1.26 -4.74 118.70 118.76 2kz4 s GLU 24 Ca 0.00 0.28 -0.25 0.00 0.02 0.00 0.00 54.97 55.02 2kz4 s GLU 24 Cb 0.00 -3.38 0.01 0.00 0.10 0.00 0.00 34.13 30.87 2kz4 s GLU 24 CO 0.00 0.33 1.56 0.42 0.02 0.00 0.00 175.26 177.59 2kz4 s ILE 25 N 0.13 3.69 -0.49 -1.63 -1.09 -1.26 -0.85 121.20 119.69 2kz4 s ILE 25 Ca 0.21 -0.23 -0.28 0.00 -2.23 0.00 0.00 60.65 58.13 2kz4 s ILE 25 Cb -0.14 -4.65 0.03 0.00 -1.58 0.00 0.00 42.46 36.12 2kz4 s ILE 25 CO 0.08 -1.57 1.08 -0.76 -1.23 0.00 0.00 174.94 172.54 2kz4 s LEU 26 N 6.82 3.74 -0.81 2.97 1.43 0.04 -4.89 118.68 127.97 2kz4 s LEU 26 Ca 0.51 0.26 -0.23 0.00 -1.03 0.00 0.00 54.13 53.64 2kz4 s LEU 26 Cb -0.05 -3.35 0.06 0.00 0.03 0.00 0.00 46.19 42.88 2kz4 s LEU 26 CO 0.03 -1.23 1.19 -1.61 0.23 0.00 0.00 176.35 174.96 2kz4 s GLU 27 N 4.31 3.32 0.45 1.70 2.02 -1.26 -1.97 118.70 127.26 2kz4 s GLU 27 Ca 0.43 -0.87 0.04 0.00 0.02 0.00 0.00 54.97 54.59 2kz4 s GLU 27 Cb -0.08 -4.57 0.04 0.00 0.10 0.00 0.00 34.13 29.61 2kz4 s GLU 27 CO 0.29 -2.00 0.30 0.25 0.02 0.00 0.00 175.26 174.12 2kz4 n THR 28 N 6.20 0.00 -3.90 3.63 -2.24 -0.26 -4.97 114.28 112.74 2kz4 n THR 28 Ca 0.11 -1.82 -0.28 0.00 -2.27 0.00 0.00 64.05 59.79 2kz4 n THR 28 Cb 0.48 -0.05 -0.16 0.00 -2.10 0.00 0.00 70.33 68.49 2kz4 n THR 28 CO 0.00 0.00 0.00 0.26 -0.57 0.00 0.00 175.07 174.76 2kz4 s TRP 29 N -2.28 1.77 -0.42 4.78 0.52 -1.26 -0.28 118.94 121.78 2kz4 s TRP 29 Ca 0.23 -1.12 -0.16 0.00 0.02 0.00 0.00 56.10 55.06 2kz4 s TRP 29 Cb -0.02 -1.35 0.02 0.00 -1.15 0.00 0.00 33.47 30.98 2kz4 s TRP 29 CO 0.15 -0.62 0.39 -1.83 0.02 0.00 0.00 176.95 175.05 2kz4 s GLU 30 N 1.61 3.05 0.27 4.98 -1.05 -0.01 -4.84 118.70 122.70 2kz4 s GLU 30 Ca 0.01 -0.87 -0.30 0.00 -0.15 0.00 0.00 54.97 53.66 2kz4 s GLU 30 Cb -0.15 -3.98 -0.10 0.00 -0.44 0.00 0.00 34.13 29.46 2kz4 s GLU 30 CO -0.08 -0.82 1.49 0.16 0.95 0.00 0.00 175.26 176.96 2kz4 s ASP 31 N 1.78 6.56 0.00 0.83 -4.77 -1.26 -0.64 116.67 119.17 2kz4 s ASP 31 Ca 0.09 2.76 0.00 0.00 -3.30 0.00 0.00 52.55 52.11 2kz4 s ASP 31 Cb -0.18 -2.63 0.00 0.00 -1.09 0.00 0.00 42.92 39.02 2kz4 s ASP 31 CO 0.12 -0.77 0.00 0.61 0.70 0.00 0.00 175.17 175.83 2kz4 n GLY 32 N 2.14 0.98 3.74 2.12 0.00 0.17 -4.88 105.19 109.46 2kz4 n GLY 32 Ca 0.07 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.74 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 2.22 3.37 -0.56 1.61 3.76 -1.26 -4.81 115.29 119.63 2kz4 s HIS 33 Ca 0.00 0.28 -0.15 0.00 -0.15 0.00 0.00 55.06 55.04 2kz4 s HIS 33 Cb 0.00 -1.98 0.14 0.00 1.11 0.00 0.00 32.58 31.84 2kz4 s HIS 33 CO 0.00 0.43 0.50 0.99 -0.85 0.00 0.00 174.74 175.81 2kz4 s THR 34 N -0.35 5.10 0.55 1.30 2.01 -1.26 -1.71 115.64 121.29 2kz4 s THR 34 Ca 0.10 -1.63 0.06 0.00 0.31 0.00 0.00 61.69 60.52 2kz4 s THR 34 Cb -0.12 -4.27 0.06 0.00 0.01 0.00 0.00 72.50 68.18 2kz4 s THR 34 CO 0.02 -0.87 0.46 0.00 -0.69 0.00 0.00 174.62 173.53 2kz4 n LEU 35 N 5.09 0.00 -4.78 4.42 -0.00 -0.90 -4.82 117.00 116.00 2kz4 n LEU 35 Ca -0.11 -2.81 -0.36 0.00 -0.00 0.00 0.00 56.01 52.73 2kz4 n LEU 35 Cb 0.41 -0.09 -0.03 0.00 -0.00 0.00 0.00 43.42 43.70 2kz4 n LEU 35 CO 0.51 -0.60 0.76 0.26 -0.00 0.00 0.00 177.39 178.31 2kz4 s TRP 36 N -2.71 3.16 0.23 1.47 0.52 -1.26 -1.49 118.94 118.85 2kz4 s TRP 36 Ca 0.35 1.61 -0.19 0.00 0.02 0.00 0.00 56.10 57.89 2kz4 s TRP 36 Cb -0.03 -3.19 0.03 0.00 -1.15 0.00 0.00 33.47 29.13 2kz4 s TRP 36 CO 0.22 -0.86 0.61 0.00 0.02 0.00 0.00 176.95 176.94 2kz4 s ALA 37 N -1.65 -1.09 -0.53 0.98 0.00 -0.68 -4.65 121.76 114.14 2kz4 s ALA 37 Ca 0.60 -0.20 -0.05 0.00 0.00 0.00 0.00 51.96 52.30 2kz4 s ALA 37 Cb -0.23 0.88 0.14 0.00 0.00 0.00 0.00 23.12 23.90 2kz4 s ALA 37 CO 0.29 -0.89 0.36 0.45 0.00 0.00 0.00 175.76 175.97 2kz4 s SER 38 N -2.88 5.47 -0.85 0.00 0.15 -0.16 -0.72 113.70 114.71 2kz4 s SER 38 Ca 0.10 -2.34 -0.16 0.00 0.70 0.00 0.00 55.95 54.25 2kz4 s SER 38 Cb -0.03 -1.91 0.19 0.00 -1.71 0.00 0.00 66.02 62.56 2kz4 s SER 38 CO 0.00 -0.52 0.87 0.54 1.20 0.00 0.00 173.24 175.33 2kz4 s VAL 39 N 0.70 5.32 -0.16 4.45 0.11 -1.26 -1.91 120.40 127.64 2kz4 s VAL 39 Ca 0.11 -2.15 -0.02 0.00 -2.93 0.00 0.00 61.98 57.00 2kz4 s VAL 39 Cb -0.22 -4.56 -0.02 0.00 -1.53 0.00 0.00 36.38 30.05 2kz4 s VAL 39 CO -0.03 -1.17 -0.08 0.20 -3.33 0.00 0.00 175.10 170.68 2kz4 s ASN 40 N 2.67 4.30 0.29 3.54 0.02 -0.35 -4.92 114.94 120.48 2kz4 s ASN 40 Ca 0.22 -0.29 -0.29 0.00 -1.02 0.00 0.00 52.86 51.48 2kz4 s ASN 40 Cb -0.09 -1.69 -0.10 0.00 0.02 0.00 0.00 41.25 39.39 2kz4 s ASN 40 CO -0.08 0.12 1.34 -0.04 0.02 0.00 0.00 177.10 178.45 2kz4 s MET 41 N 0.62 4.35 0.81 -0.60 -1.94 -1.26 -0.68 119.30 120.59 2kz4 s MET 41 Ca -0.05 2.20 -0.11 0.00 -1.71 0.00 0.00 55.69 56.02 2kz4 s MET 41 Cb -0.15 -3.10 0.08 0.00 2.01 0.00 0.00 34.83 33.66 2kz4 s MET 41 CO 0.03 -0.25 1.11 0.14 -0.01 0.00 0.00 175.02 176.04 2kz4 s VAL 42 N -0.64 2.98 0.73 -6.03 -7.23 -0.19 -4.83 120.40 105.21 2kz4 s VAL 42 Ca 0.53 0.32 -0.09 0.00 -1.81 0.00 0.00 61.98 60.93 2kz4 s VAL 42 Cb -0.40 -2.69 0.06 0.00 0.56 0.00 0.00 36.38 33.91 2kz4 s VAL 42 CO 0.48 -0.41 1.08 -0.44 -0.31 0.00 0.00 175.10 175.50 2kz4 s SER 43 N -3.17 4.87 0.60 4.85 0.01 -1.26 -4.73 113.70 114.87 2kz4 s SER 43 Ca 0.63 0.72 0.37 0.00 1.31 0.00 0.00 55.95 58.97 2kz4 s SER 43 Cb -0.19 -1.36 1.91 0.00 0.21 0.00 0.00 66.02 66.59 2kz4 s SER 43 CO 0.56 -1.63 2.20 0.77 0.41 0.00 0.00 173.24 175.56 2kz4 h SER 44 N -0.75 0.00 -1.06 2.44 4.64 -1.97 -3.03 113.55 113.82 2kz4 h SER 44 Ca -0.45 0.00 0.28 0.00 -0.47 0.00 0.00 61.79 61.15 2kz4 h SER 44 Cb 1.31 0.00 -0.10 0.00 -0.31 0.00 0.00 62.40 63.30 2kz4 h SER 44 CO 0.63 0.03 0.68 0.50 -0.87 0.00 0.00 176.83 177.80 2kz4 h LYS 45 N 0.00 0.35 -0.35 4.77 1.63 -1.99 -2.01 116.57 118.98 2kz4 h LYS 45 Ca -0.00 -0.02 -0.00 0.00 -0.85 0.00 0.00 60.65 59.77 2kz4 h LYS 45 Cb 0.20 -0.08 -0.02 0.00 -0.60 0.00 0.00 32.23 31.73 2kz4 h LYS 45 CO 0.00 0.23 0.20 0.93 -3.45 0.00 0.00 179.45 177.37 2kz4 h GLU 46 N 0.37 0.48 -0.11 1.90 4.39 -1.90 -0.66 114.58 119.05 2kz4 h GLU 46 Ca 0.61 -0.05 -0.07 0.00 0.34 0.00 0.00 59.36 60.19 2kz4 h GLU 46 Cb 1.59 -0.10 -0.00 0.00 -0.10 0.00 0.00 28.75 30.14 2kz4 h GLU 46 CO -0.30 0.38 -0.19 0.00 -1.16 0.00 0.00 179.01 177.74 2kz4 h ALA 47 N 1.07 0.17 -0.31 3.43 0.00 -1.55 -2.54 119.26 119.54 2kz4 h ALA 47 Ca 0.12 -0.36 0.02 0.00 0.00 0.00 0.00 54.91 54.69 2kz4 h ALA 47 Cb 0.03 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 17.77 2kz4 h ALA 47 CO -0.02 0.11 0.16 0.82 0.00 0.00 0.00 179.25 180.31 2kz4 h ILE 48 N -0.10 0.99 -0.00 0.00 2.04 -1.35 -1.23 117.51 117.85 2kz4 h ILE 48 Ca 0.01 -0.11 -0.19 0.00 1.00 0.00 0.00 64.86 65.56 2kz4 h ILE 48 Cb 0.77 0.63 -0.01 0.00 -0.74 0.00 0.00 36.82 37.47 2kz4 h ILE 48 CO 0.04 0.06 -0.85 -1.28 0.00 0.00 0.00 178.15 176.13 2kz4 h SER 49 N 0.33 0.24 -0.04 1.72 0.87 -1.20 -3.28 113.55 112.20 2kz4 h SER 49 Ca 0.13 -0.19 -0.11 0.00 -1.23 0.00 0.00 61.79 60.39 2kz4 h SER 49 Cb 0.04 -0.07 0.01 0.00 -0.44 0.00 0.00 62.40 61.93 2kz4 h SER 49 CO -0.09 0.98 -0.40 -1.28 -0.53 0.00 0.00 176.83 175.51 2kz4 h SER 50 N 0.11 0.41 0.00 6.23 0.87 -1.37 -3.49 113.55 116.30 2kz4 h SER 50 Ca -0.04 -0.71 0.00 0.00 -1.23 0.00 0.00 61.79 59.82 2kz4 h SER 50 Cb 1.46 -0.12 0.00 0.00 -0.44 0.00 0.00 62.40 63.30 2kz4 h SER 50 CO 0.13 1.06 0.00 0.61 -0.53 0.00 0.00 176.83 178.10 2kz4 n GLY 51 N 0.88 2.18 0.18 5.77 0.00 -0.47 -4.58 105.19 109.15 2kz4 n GLY 51 Ca -0.09 -0.69 0.00 0.00 0.00 0.00 0.00 46.02 45.24 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 1.36 -0.05 4.61 0.00 -1.26 -4.83 120.51 120.34 2kz4 n ALA 52 Ca 0.00 -0.38 -0.05 0.00 0.00 0.00 0.00 53.44 53.00 2kz4 n ALA 52 Cb 0.00 -0.10 -0.02 0.00 0.00 0.00 0.00 19.45 19.33 2kz4 n ALA 52 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 2kz4 n GLU 53 N 0.00 0.32 -2.80 0.00 2.13 -1.26 -4.97 120.64 114.05 2kz4 n GLU 53 Ca 0.00 0.13 -0.33 0.00 0.66 0.00 0.00 57.16 57.62 2kz4 n GLU 53 Cb 0.54 -1.07 -0.07 0.00 0.27 0.00 0.00 31.44 31.12 2kz4 n GLU 53 CO 0.00 0.00 0.00 -0.51 -0.41 0.00 0.00 177.13 176.21 2kz4 s LEU 54 N -6.76 3.94 0.21 4.31 1.43 -1.26 -5.09 118.68 115.46 2kz4 s LEU 54 Ca -0.17 1.71 0.01 0.00 -1.03 0.00 0.00 54.13 54.64 2kz4 s LEU 54 Cb 0.02 -4.54 -0.05 0.00 0.03 0.00 0.00 46.19 41.66 2kz4 s LEU 54 CO 0.26 -0.38 0.08 0.00 0.23 0.00 0.00 176.35 176.53 2kz4 s ALA 55 N -2.16 1.42 0.58 4.21 0.00 -1.26 -4.21 121.76 120.34 2kz4 s ALA 55 Ca 0.62 -1.72 -0.14 0.00 0.00 0.00 0.00 51.96 50.72 2kz4 s ALA 55 Cb -0.10 0.97 -0.05 0.00 0.00 0.00 0.00 23.12 23.95 2kz4 s ALA 55 CO 0.14 -0.46 1.02 0.42 0.00 0.00 0.00 175.76 176.88 2kz4 s ILE 56 N -3.85 4.38 0.00 0.00 1.01 -1.26 -3.96 121.20 117.53 2kz4 s ILE 56 Ca 0.33 0.98 0.00 0.00 0.00 0.00 0.00 60.65 61.96 2kz4 s ILE 56 Cb 0.07 -3.66 0.00 0.00 0.01 0.00 0.00 42.46 38.88 2kz4 s ILE 56 CO 0.09 -0.81 0.00 0.61 0.00 0.00 0.00 174.94 174.84 2kz4 n GLY 57 N -1.86 0.67 3.75 6.18 0.00 -1.26 -5.07 105.19 107.60 2kz4 n GLY 57 Ca 0.07 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.74 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 -2.21 2.64 -0.10 2.61 2.01 -1.25 -4.29 115.64 115.04 2kz4 s THR 58 Ca 0.00 0.35 0.02 0.00 0.31 0.00 0.00 61.69 62.37 2kz4 s THR 58 Cb 0.00 -3.01 0.01 0.00 0.01 0.00 0.00 72.50 69.52 2kz4 s THR 58 CO 0.00 -0.13 -0.15 -0.69 -0.69 0.00 0.00 174.62 172.96 2kz4 s VAL 59 N -1.85 1.48 -0.14 3.82 1.01 -0.01 -1.02 120.40 123.69 2kz4 s VAL 59 Ca 0.75 -0.63 -0.12 0.00 0.00 0.00 0.00 61.98 61.97 2kz4 s VAL 59 Cb -0.28 -1.35 -0.05 0.00 0.00 0.00 0.00 36.38 34.70 2kz4 s VAL 59 CO 0.38 0.44 0.26 -0.60 0.00 0.00 0.00 175.10 175.58 2kz4 s ARG 60 N 0.95 4.05 -0.22 2.72 3.52 0.14 -0.67 118.95 129.44 2kz4 s ARG 60 Ca -0.08 0.06 -0.02 0.00 -0.13 0.00 0.00 55.73 55.56 2kz4 s ARG 60 Cb -0.15 -3.35 0.07 0.00 -1.56 0.00 0.00 34.95 29.95 2kz4 s ARG 60 CO -0.01 0.41 0.04 0.42 -0.81 0.00 0.00 175.30 175.35 2kz4 s ILE 61 N -0.03 0.69 -0.27 4.11 1.01 -0.39 -1.21 121.20 125.11 2kz4 s ILE 61 Ca 0.16 -0.80 -0.15 0.00 0.00 0.00 0.00 60.65 59.86 2kz4 s ILE 61 Cb -0.13 -1.24 -0.04 0.00 0.01 0.00 0.00 42.46 41.07 2kz4 s ILE 61 CO 0.04 -0.30 0.39 0.26 0.00 0.00 0.00 174.94 175.33 2kz4 s TRP 62 N 1.77 3.25 0.28 3.97 0.52 -0.80 -0.81 118.94 127.11 2kz4 s TRP 62 Ca 0.01 0.43 0.05 0.00 0.02 0.00 0.00 56.10 56.61 2kz4 s TRP 62 Cb -0.17 -2.59 -0.06 0.00 -1.15 0.00 0.00 33.47 29.50 2kz4 s TRP 62 CO -0.12 -0.24 -0.02 0.96 0.02 0.00 0.00 176.95 177.55 2kz4 s ILE 63 N 2.10 1.43 0.86 2.03 -4.36 -0.94 -0.98 121.20 121.33 2kz4 s ILE 63 Ca 0.16 -2.08 -0.13 0.00 -0.26 0.00 0.00 60.65 58.34 2kz4 s ILE 63 Cb -0.16 -2.51 0.07 0.00 1.25 0.00 0.00 42.46 41.11 2kz4 s ILE 63 CO 0.10 -0.24 0.89 0.54 0.24 0.00 0.00 174.94 176.47 2kz4 n ARG 64 N -0.58 -0.06 -1.60 0.37 5.12 -1.26 -1.27 116.66 117.38 2kz4 n ARG 64 Ca -0.05 0.05 -0.25 0.00 -1.93 0.00 0.00 57.85 55.67 2kz4 n ARG 64 Cb 0.64 -2.19 -0.05 0.00 -1.16 0.00 0.00 32.46 29.71 2kz4 n ARG 64 CO 0.00 0.00 0.00 -0.47 -1.93 0.00 0.00 177.63 175.23 2kz4 s TYR 65 N -2.27 1.15 -0.26 -1.55 6.14 -1.25 -3.69 117.35 115.61 2kz4 s TYR 65 Ca 0.67 1.71 -0.05 0.00 0.64 0.00 0.00 57.07 60.03 2kz4 s TYR 65 Cb -0.27 -3.55 0.00 0.00 0.42 0.00 0.00 41.96 38.57 2kz4 s TYR 65 CO 0.58 -2.05 0.02 0.50 0.64 0.00 0.00 175.55 175.24 2kz4 s ARG 66 N 8.48 3.18 0.00 4.97 3.52 -1.26 -4.93 118.95 132.90 2kz4 s ARG 66 Ca 0.93 -0.78 0.26 0.00 -0.13 0.00 0.00 55.73 56.02 2kz4 s ARG 66 Cb -0.15 -3.21 1.58 0.00 -1.56 0.00 0.00 34.95 31.61 2kz4 s ARG 66 CO 0.17 -0.35 1.98 1.63 -0.81 0.00 0.00 175.30 177.92 2kz4 n LYS 67 N 4.82 0.94 0.07 5.12 5.02 -1.26 -3.53 118.16 129.34 2kz4 n LYS 67 Ca -0.16 0.00 0.11 0.00 -2.02 0.00 0.00 58.31 56.24 2kz4 n LYS 67 Cb 0.49 -1.44 -0.03 0.00 -0.02 0.00 0.00 35.03 34.03 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 -0.94 0.64 -4.73 4.39 2.03 -1.26 -4.91 116.55 111.77 2kz4 n ASP 68 Ca 0.20 0.21 -0.41 0.00 0.52 0.00 0.00 54.79 55.31 2kz4 n ASP 68 Cb 0.09 0.81 -0.04 0.00 -0.72 0.00 0.00 41.12 41.26 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 -3.38 4.47 0.26 5.18 -1.09 -1.23 -5.07 121.20 120.33 2kz4 s ILE 69 Ca -0.02 2.07 0.04 0.00 -2.23 0.00 0.00 60.65 60.51 2kz4 s ILE 69 Cb 0.11 -4.32 -0.05 0.00 -1.58 0.00 0.00 42.46 36.62 2kz4 s ILE 69 CO 0.82 0.33 -0.01 0.21 -1.23 0.00 0.00 174.94 175.06 2kz4 s ASN 70 N -0.06 2.13 0.56 3.58 3.84 -1.26 -4.93 114.94 118.79 2kz4 s ASN 70 Ca 0.47 -1.24 0.32 0.00 0.21 0.00 0.00 52.86 52.62 2kz4 s ASN 70 Cb -0.24 -0.04 1.62 0.00 -0.55 0.00 0.00 41.25 42.04 2kz4 s ASN 70 CO 0.30 -0.49 2.11 0.00 -2.79 0.00 0.00 177.10 176.23 2kz4 h ALA 71 N 2.37 1.18 -0.08 1.71 0.00 -1.95 -2.02 119.26 120.47 2kz4 h ALA 71 Ca -0.39 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.45 2kz4 h ALA 71 Cb 1.23 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.01 2kz4 h ALA 71 CO 0.66 0.09 0.00 0.25 0.00 0.00 0.00 179.25 180.25 2kz4 n THR 72 N -3.43 0.35 -4.33 0.00 -2.24 -1.26 -4.59 114.28 98.77 2kz4 n THR 72 Ca -0.02 -0.18 -0.34 0.00 -2.27 0.00 0.00 64.05 61.25 2kz4 n THR 72 Cb 0.22 -0.44 -0.09 0.00 -2.10 0.00 0.00 70.33 67.92 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 -0.15 5.18 -0.14 3.42 0.01 -0.76 -2.51 113.70 118.75 2kz4 s SER 73 Ca 0.07 0.07 -0.04 0.00 1.31 0.00 0.00 55.95 57.37 2kz4 s SER 73 Cb 0.05 -1.41 -0.03 0.00 0.21 0.00 0.00 66.02 64.85 2kz4 s SER 73 CO 0.02 0.33 -0.01 -0.13 0.41 0.00 0.00 173.24 173.86 2kz4 s ARG 74 N -1.22 3.48 -0.83 12.44 0.52 -0.02 -4.05 118.95 129.27 2kz4 s ARG 74 Ca 0.16 -0.46 -0.17 0.00 -0.52 0.00 0.00 55.73 54.75 2kz4 s ARG 74 Cb -0.11 -2.91 0.16 0.00 0.52 0.00 0.00 34.95 32.60 2kz4 s ARG 74 CO 0.06 0.40 0.92 0.42 0.02 0.00 0.00 175.30 177.12 2kz4 s ILE 75 N -0.06 5.09 -0.53 1.52 -1.09 0.86 -1.14 121.20 125.85 2kz4 s ILE 75 Ca 0.03 -1.83 -0.24 0.00 -2.23 0.00 0.00 60.65 56.38 2kz4 s ILE 75 Cb -0.13 -4.61 0.04 0.00 -1.58 0.00 0.00 42.46 36.18 2kz4 s ILE 75 CO 0.02 -1.26 0.91 -0.75 -1.23 0.00 0.00 174.94 172.63 2kz4 s LYS 76 N 1.70 3.33 0.02 2.79 2.20 -0.59 -1.57 119.74 127.62 2kz4 s LYS 76 Ca 0.23 -0.27 -0.30 0.00 -0.36 0.00 0.00 55.97 55.27 2kz4 s LYS 76 Cb -0.10 -4.04 -0.04 0.00 -1.51 0.00 0.00 37.83 32.14 2kz4 s LYS 76 CO -0.07 -1.42 1.02 0.08 -0.36 0.00 0.00 175.35 174.60 2kz4 s VAL 77 N 3.79 4.67 -0.26 4.02 1.01 -0.75 -0.55 120.40 132.33 2kz4 s VAL 77 Ca 0.30 1.94 0.23 0.00 0.00 0.00 0.00 61.98 64.44 2kz4 s VAL 77 Cb -0.13 -4.24 0.01 0.00 0.00 0.00 0.00 36.38 32.02 2kz4 s VAL 77 CO 0.19 0.16 1.07 0.28 0.00 0.00 0.00 175.10 176.80 2kz4 h SER 78 N 6.70 0.00 -4.19 3.32 0.02 -1.57 -1.04 113.55 116.79 2kz4 h SER 78 Ca -0.41 -0.02 -0.38 0.00 -0.84 0.00 0.00 61.79 60.14 2kz4 h SER 78 Cb 1.22 0.00 -0.09 0.00 0.14 0.00 0.00 62.40 63.67 2kz4 h SER 78 CO 0.76 0.01 -0.35 0.35 -1.14 0.00 0.00 176.83 176.46 2kz4 n THR 79 N -2.65 0.00 -4.59 -2.27 -2.24 -1.22 -4.70 114.28 96.61 2kz4 n THR 79 Ca 0.00 -1.78 0.00 0.00 -2.27 0.00 0.00 64.05 60.00 2kz4 n THR 79 Cb 0.54 0.76 0.00 0.00 -2.10 0.00 0.00 70.33 69.53 2kz4 n THR 79 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2kz4 n GLY 80 N -0.22 0.37 0.06 3.38 0.00 -1.26 -2.63 105.19 104.88 2kz4 n GLY 80 Ca 0.00 -0.85 0.13 0.00 0.00 0.00 0.00 46.02 45.31 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 0.16 -0.55 1.61 -0.04 -1.26 -3.51 135.00 131.41 2kz4 n PRO 81 Ca 0.00 0.13 0.04 0.00 -0.04 0.00 0.00 63.50 63.63 2kz4 n PRO 81 Cb 0.00 -1.69 0.23 0.00 -0.04 0.00 0.00 33.50 32.00 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 -1.96 3.91 -4.58 1.53 4.77 -1.24 -5.00 117.00 114.42 2kz4 n LEU 82 Ca 0.06 -3.29 -0.41 0.00 -0.03 0.00 0.00 56.01 52.34 2kz4 n LEU 82 Cb 0.39 -0.57 -0.03 0.00 -2.33 0.00 0.00 43.42 40.88 2kz4 n LEU 82 CO 0.29 0.88 1.67 0.00 -1.33 0.00 0.00 177.39 178.89 2kz4 s ALA 83 N -2.98 2.54 0.00 -1.18 0.00 -1.08 -1.60 121.76 117.47 2kz4 s ALA 83 Ca 0.43 0.15 0.00 0.00 0.00 0.00 0.00 51.96 52.54 2kz4 s ALA 83 Cb 0.36 -4.12 0.00 0.00 0.00 0.00 0.00 23.12 19.36 2kz4 s ALA 83 CO 0.05 -3.15 0.00 0.41 0.00 0.00 0.00 175.76 173.08 2kz4 n GLY 84 N 5.61 1.05 3.76 0.00 0.00 -0.39 -4.96 105.19 110.26 2kz4 n GLY 84 Ca 0.25 -0.02 -0.41 0.00 0.00 0.00 0.00 46.02 45.85 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 4.51 -0.74 1.61 0.52 -0.62 -4.85 118.95 119.37 2kz4 s ARG 85 Ca 0.00 1.98 -0.10 0.00 -0.52 0.00 0.00 55.73 57.10 2kz4 s ARG 85 Cb 0.00 -3.15 0.19 0.00 0.52 0.00 0.00 34.95 32.52 2kz4 s ARG 85 CO 0.00 0.01 0.63 0.54 0.02 0.00 0.00 175.30 176.50 2kz4 s VAL 86 N -1.01 4.85 0.51 3.52 0.11 -1.26 -1.81 120.40 125.32 2kz4 s VAL 86 Ca 0.47 -2.62 -0.20 0.00 -2.93 0.00 0.00 61.98 56.70 2kz4 s VAL 86 Cb -0.35 -4.05 -0.07 0.00 -1.53 0.00 0.00 36.38 30.38 2kz4 s VAL 86 CO 0.45 -0.96 1.12 -0.76 -3.33 0.00 0.00 175.10 171.62 2kz4 s LEU 87 N 0.13 3.82 -0.03 2.54 2.01 -0.61 -3.77 118.68 122.77 2kz4 s LEU 87 Ca 0.17 2.15 0.06 0.00 0.01 0.00 0.00 54.13 56.53 2kz4 s LEU 87 Cb -0.15 -4.51 -0.01 0.00 0.01 0.00 0.00 46.19 41.53 2kz4 s LEU 87 CO -0.06 -1.07 -0.23 0.20 1.01 0.00 0.00 176.35 176.20 2kz4 s ASN 88 N -1.73 2.74 -0.85 2.29 0.01 -0.07 -0.10 114.94 117.23 2kz4 s ASN 88 Ca 0.70 -0.44 -0.25 0.00 -0.71 0.00 0.00 52.86 52.16 2kz4 s ASN 88 Cb -0.23 -0.50 0.03 0.00 0.41 0.00 0.00 41.25 40.95 2kz4 s ASN 88 CO 0.27 0.25 1.45 -0.63 -1.51 0.00 0.00 177.10 176.94 2kz4 s ILE 89 N -0.35 3.74 -1.55 0.60 1.01 -1.26 -1.14 121.20 122.26 2kz4 s ILE 89 Ca 0.03 -0.13 -0.11 0.00 0.00 0.00 0.00 60.65 60.44 2kz4 s ILE 89 Cb -0.11 -4.81 -0.03 0.00 0.01 0.00 0.00 42.46 37.52 2kz4 s ILE 89 CO 0.01 -1.73 2.66 2.30 0.00 0.00 0.00 174.94 178.18 2kz4 n ILE 90 N 6.78 4.06 0.00 2.92 -5.35 -1.23 -4.62 119.36 121.92 2kz4 n ILE 90 Ca 0.19 -2.84 0.00 0.00 -0.27 0.00 0.00 62.75 59.83 2kz4 n ILE 90 Cb 0.50 -2.59 0.00 0.00 -1.74 0.00 0.00 39.64 35.81 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 3.67 -0.45 3.61 3.28 0.00 -1.26 -4.88 105.19 109.16 2kz4 n GLY 91 Ca 0.68 0.08 -0.13 0.00 0.00 0.00 0.00 46.02 46.65 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 0.77 -0.07 1.61 -2.07 -1.26 -4.85 119.66 113.79 2kz4 s GLN 92 Ca 0.00 0.71 -0.29 0.00 -1.82 0.00 0.00 55.36 53.96 2kz4 s GLN 92 Cb 0.00 0.37 -0.07 0.00 -1.09 0.00 0.00 33.01 32.22 2kz4 s GLN 92 CO 0.00 -0.13 2.04 -1.25 -1.32 0.00 0.00 175.29 174.62 2kz4 s PRO 93 N -0.03 3.75 -0.45 9.60 0.04 -1.26 -4.70 135.00 141.94 2kz4 s PRO 93 Ca -0.01 2.34 -0.18 0.00 0.04 0.00 0.00 61.00 63.19 2kz4 s PRO 93 Cb -0.04 -4.23 0.04 0.00 0.04 0.00 0.00 34.50 30.31 2kz4 s PRO 93 CO 0.01 -1.40 0.51 -1.17 0.04 0.00 0.00 177.00 174.98 2kz4 s LEU 94 N 5.92 4.95 0.18 -3.56 1.98 -0.56 -4.96 118.68 122.64 2kz4 s LEU 94 Ca 0.92 -0.79 -0.30 0.00 -2.89 0.00 0.00 54.13 51.07 2kz4 s LEU 94 Cb -0.38 -2.41 -0.08 0.00 0.66 0.00 0.00 46.19 43.98 2kz4 s LEU 94 CO 0.38 -0.70 1.11 -2.16 -1.89 0.00 0.00 176.35 173.10 2kz4 s PRO 95 N 2.28 4.58 1.02 0.98 0.04 -1.26 -0.48 135.00 142.15 2kz4 s PRO 95 Ca 0.13 1.74 -0.15 0.00 0.04 0.00 0.00 61.00 62.76 2kz4 s PRO 95 Cb -0.18 -3.27 0.20 0.00 0.04 0.00 0.00 34.50 31.29 2kz4 s PRO 95 CO 0.13 0.05 1.16 0.16 0.04 0.00 0.00 177.00 178.54 2kz4 s ASP 96 N -0.09 2.55 0.46 6.66 -4.77 -1.12 -4.91 116.67 115.44 2kz4 s ASP 96 Ca 0.50 0.73 0.26 0.00 -3.30 0.00 0.00 52.55 50.73 2kz4 s ASP 96 Cb -0.30 -1.10 1.04 0.00 -1.09 0.00 0.00 42.92 41.47 2kz4 s ASP 96 CO 0.35 -3.13 1.88 0.00 0.70 0.00 0.00 175.17 174.97 2kz4 h ALA 97 N -1.90 1.05 0.00 2.11 0.00 -1.97 -2.20 119.26 116.35 2kz4 h ALA 97 Ca -0.48 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.26 2kz4 h ALA 97 Cb 1.30 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.06 2kz4 h ALA 97 CO 0.48 0.23 -0.93 0.00 0.00 0.00 0.00 179.25 179.03 2kz4 n ALA 98 N -2.22 3.55 -2.41 0.00 0.00 -1.26 -4.98 120.51 113.19 2kz4 n ALA 98 Ca -0.00 -0.41 -0.19 0.00 0.00 0.00 0.00 53.44 52.84 2kz4 n ALA 98 Cb 0.39 -0.98 -0.00 0.00 0.00 0.00 0.00 19.45 18.86 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 -1.85 -1.79 0.09 0.00 3.00 -0.83 -4.90 116.66 110.38 2kz4 n ARG 99 Ca 0.03 0.91 0.12 0.00 -0.01 0.00 0.00 57.85 58.89 2kz4 n ARG 99 Cb 0.41 -5.47 0.19 0.00 0.00 0.00 0.00 32.46 27.59 2kz4 n ARG 99 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 2kz4 h THR 100 N -0.12 0.00 -3.58 0.55 1.03 -1.94 -3.44 112.91 105.42 2kz4 h THR 100 Ca -0.45 -0.62 -0.05 0.00 -0.01 0.00 0.00 66.41 65.27 2kz4 h THR 100 Cb 1.33 1.31 -0.10 0.00 -1.07 0.00 0.00 68.15 69.62 2kz4 h THR 100 CO 0.53 0.00 -0.12 0.00 -0.01 0.00 0.00 175.52 175.92 2kz4 s ARG 101 N -3.19 1.37 -0.27 0.00 1.70 -1.26 -3.82 118.95 113.47 2kz4 s ARG 101 Ca 0.06 -1.07 0.03 0.00 -0.47 0.00 0.00 55.73 54.27 2kz4 s ARG 101 Cb 0.12 0.46 0.07 0.00 -0.57 0.00 0.00 34.95 35.03 2kz4 s ARG 101 CO 0.70 -0.56 -0.06 -1.17 -1.08 0.00 0.00 175.30 173.14 2kz4 s LEU 102 N -2.94 3.47 -0.64 -1.89 1.98 -0.40 -2.81 118.68 115.46 2kz4 s LEU 102 Ca 0.15 -1.50 -0.23 0.00 -2.89 0.00 0.00 54.13 49.66 2kz4 s LEU 102 Cb 0.00 -1.46 0.06 0.00 0.66 0.00 0.00 46.19 45.45 2kz4 s LEU 102 CO 0.02 -0.24 0.98 -0.70 -1.89 0.00 0.00 176.35 174.51 2kz4 s GLU 103 N 1.14 3.17 0.28 1.98 2.12 0.36 -2.22 118.70 125.53 2kz4 s GLU 103 Ca -0.04 -0.65 -0.21 0.00 0.36 0.00 0.00 54.97 54.44 2kz4 s GLU 103 Cb -0.19 -4.18 -0.09 0.00 0.26 0.00 0.00 34.13 29.93 2kz4 s GLU 103 CO -0.06 -1.75 0.80 0.42 -0.54 0.00 0.00 175.26 174.12 2kz4 s ILE 104 N 4.15 4.49 0.02 -3.70 -1.09 0.01 -1.49 121.20 123.59 2kz4 s ILE 104 Ca 0.25 1.38 0.08 0.00 -2.23 0.00 0.00 60.65 60.12 2kz4 s ILE 104 Cb -0.15 -3.84 -0.02 0.00 -1.58 0.00 0.00 42.46 36.87 2kz4 s ILE 104 CO 0.13 0.09 -0.23 -1.48 -1.23 0.00 0.00 174.94 172.22 2kz4 s LEU 105 N -2.24 2.12 0.32 2.97 2.34 -1.26 -1.26 118.68 121.68 2kz4 s LEU 105 Ca 0.48 -0.50 -0.08 0.00 0.06 0.00 0.00 54.13 54.09 2kz4 s LEU 105 Cb -0.16 -1.12 0.01 0.00 -0.56 0.00 0.00 46.19 44.37 2kz4 s LEU 105 CO 0.20 0.23 0.54 0.00 -1.06 0.00 0.00 176.35 176.26 2kz4 s ARG 107 N -3.18 1.11 0.48 0.00 3.52 -0.30 -0.83 118.95 119.76 2kz4 s ARG 107 Ca 0.25 -0.12 -0.23 0.00 -0.13 0.00 0.00 55.73 55.50 2kz4 s ARG 107 Cb -0.01 0.52 -0.08 0.00 -1.56 0.00 0.00 34.95 33.81 2kz4 s ARG 107 CO 0.15 -0.43 1.18 0.39 -0.81 0.00 0.00 175.30 175.79 2kz4 n GLU 108 N 0.22 1.58 -0.78 5.12 1.02 -1.26 -0.89 120.64 125.64 2kz4 n GLU 108 Ca -0.17 0.57 -0.15 0.00 -0.02 0.00 0.00 57.16 57.39 2kz4 n GLU 108 Cb 0.61 -2.32 0.06 0.00 -0.02 0.00 0.00 31.44 29.77 2kz4 n GLU 108 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2kz4 n GLY 109 N 0.96 3.78 3.02 0.62 0.00 -1.25 -4.58 105.19 107.75 2kz4 n GLY 109 Ca 0.09 -0.89 0.02 0.00 0.00 0.00 0.00 46.02 45.24 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 -1.79 -3.36 -2.29 4.61 0.00 -1.26 -5.02 121.76 112.65 2kz4 s ALA 110 Ca 0.31 0.83 0.18 0.00 0.00 0.00 0.00 51.96 53.28 2kz4 s ALA 110 Cb 0.25 -2.84 0.15 0.00 0.00 0.00 0.00 23.12 20.68 2kz4 s ALA 110 CO 0.02 -2.28 1.09 0.39 0.00 0.00 0.00 175.76 174.98 2kz4 n GLU 111 N 4.29 1.57 0.00 0.00 1.02 -1.26 -5.23 120.64 121.04 2kz4 n GLU 111 Ca 0.08 -1.61 0.00 0.00 -0.02 0.00 0.00 57.16 55.61 2kz4 n GLU 111 Cb 0.59 -1.35 0.00 0.00 -0.02 0.00 0.00 31.44 30.66 2kz4 n GLU 111 CO 0.00 0.00 0.00 0.36 1.18 0.00 0.00 177.13 178.67