#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kzr s ARG 2 N 0.00 0.88 -0.04 -0.99 1.70 -1.26 -3.61 118.95 115.63 2kzr s ARG 2 Ca 0.00 -0.06 0.05 0.00 -0.47 0.00 0.00 55.73 55.24 2kzr s ARG 2 Cb 0.00 -1.01 -0.00 0.00 -0.57 0.00 0.00 34.95 33.37 2kzr s ARG 2 CO 0.00 -0.18 -0.18 0.08 -1.08 0.00 0.00 175.30 173.94 2kzr s VAL 3 N 1.39 1.49 -0.45 4.99 1.01 -1.22 -0.97 120.40 126.64 2kzr s VAL 3 Ca -0.03 -0.76 -0.27 0.00 0.00 0.00 0.00 61.98 60.92 2kzr s VAL 3 Cb -0.13 -1.28 0.03 0.00 0.00 0.00 0.00 36.38 34.99 2kzr s VAL 3 CO -0.03 0.43 1.04 -0.13 0.00 0.00 0.00 175.10 176.41 2kzr s ARG 4 N -0.01 3.70 -0.92 2.72 1.81 -0.40 -1.46 118.95 124.38 2kzr s ARG 4 Ca -0.03 0.47 -0.19 0.00 -1.72 0.00 0.00 55.73 54.26 2kzr s ARG 4 Cb -0.11 -3.89 0.13 0.00 -0.45 0.00 0.00 34.95 30.63 2kzr s ARG 4 CO 0.02 -1.25 1.12 0.00 -0.68 0.00 0.00 175.30 174.51 2kzr s LYS 6 N 2.66 3.19 0.30 0.00 2.47 -0.34 -2.06 119.74 125.96 2kzr s LYS 6 Ca 0.32 0.30 0.02 0.00 -1.56 0.00 0.00 55.97 55.05 2kzr s LYS 6 Cb -0.05 -4.17 -0.02 0.00 -1.46 0.00 0.00 37.83 32.13 2kzr s LYS 6 CO -0.09 -2.09 0.31 0.00 0.16 0.00 0.00 175.35 173.64 2kzr s ALA 7 N 6.35 1.32 -1.38 3.13 0.00 -0.83 -0.21 121.76 130.14 2kzr s ALA 7 Ca 0.50 -1.79 0.20 0.00 0.00 0.00 0.00 51.96 50.87 2kzr s ALA 7 Cb -0.10 1.35 0.98 0.00 0.00 0.00 0.00 23.12 25.36 2kzr s ALA 7 CO 0.22 -0.69 1.62 1.63 0.00 0.00 0.00 175.76 178.54 2kzr n LYS 8 N -0.52 0.25 -1.20 0.00 4.76 -1.26 -2.00 118.16 118.19 2kzr n LYS 8 Ca 0.04 0.11 -0.18 0.00 -2.87 0.00 0.00 58.31 55.40 2kzr n LYS 8 Cb 0.63 -1.50 0.14 0.00 -1.84 0.00 0.00 35.03 32.46 2kzr n LYS 8 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2kzr n GLY 9 N 0.42 5.24 1.16 0.72 0.00 -1.26 -5.09 105.19 106.37 2kzr n GLY 9 Ca 0.09 -1.63 0.00 0.00 0.00 0.00 0.00 46.02 44.48 2kzr n GLY 9 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2kzr n GLY 10 N -1.03 -2.52 3.54 -0.02 0.00 -0.85 -4.83 105.19 99.49 2kzr n GLY 10 Ca 0.47 -1.62 -0.39 0.00 0.00 0.00 0.00 46.02 44.49 2kzr n GLY 10 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2kzr s THR 11 N -0.80 5.14 0.52 2.61 2.01 -1.25 -1.96 115.64 121.90 2kzr s THR 11 Ca 0.00 -0.05 0.02 0.00 0.31 0.00 0.00 61.69 61.96 2kzr s THR 11 Cb 0.00 -3.53 -0.01 0.00 0.01 0.00 0.00 72.50 68.98 2kzr s THR 11 CO 0.00 0.15 0.05 -1.00 -0.69 0.00 0.00 174.62 173.13 2kzr s HIS 12 N 1.72 1.83 -0.07 4.92 3.76 -0.88 -4.91 115.29 121.66 2kzr s HIS 12 Ca 0.06 -0.94 0.03 0.00 -0.15 0.00 0.00 55.06 54.06 2kzr s HIS 12 Cb -0.16 -1.65 0.01 0.00 1.11 0.00 0.00 32.58 31.88 2kzr s HIS 12 CO 0.10 0.15 -0.17 -1.17 -0.85 0.00 0.00 174.74 172.79 2kzr s LEU 13 N -3.93 1.85 -0.18 0.89 1.98 -1.26 -0.79 118.68 117.24 2kzr s LEU 13 Ca 0.09 -0.40 -0.09 0.00 -2.89 0.00 0.00 54.13 50.84 2kzr s LEU 13 Cb 0.01 -1.06 -0.05 0.00 0.66 0.00 0.00 46.19 45.76 2kzr s LEU 13 CO 0.05 0.10 0.13 -0.76 -1.89 0.00 0.00 176.35 173.98 2kzr s LEU 14 N 0.43 4.25 0.44 -0.68 1.02 -0.54 -4.94 118.68 118.66 2kzr s LEU 14 Ca -0.14 0.29 0.07 0.00 0.02 0.00 0.00 54.13 54.37 2kzr s LEU 14 Cb -0.16 -2.08 0.01 0.00 0.02 0.00 0.00 46.19 43.99 2kzr s LEU 14 CO 0.05 0.24 0.60 -1.10 0.02 0.00 0.00 176.35 176.17 2kzr s GLN 15 N -0.03 2.78 -1.00 1.70 1.11 -1.26 -3.42 119.66 119.53 2kzr s GLN 15 Ca 0.10 -1.17 0.00 0.00 0.01 0.00 0.00 55.36 54.29 2kzr s GLN 15 Cb -0.11 -2.72 0.00 0.00 -1.01 0.00 0.00 33.01 29.17 2kzr s GLN 15 CO -0.00 -0.34 0.00 0.41 0.01 0.00 0.00 175.29 175.37 2kzr n GLY 16 N -1.93 0.77 3.77 3.09 0.00 -1.26 -5.01 105.19 104.62 2kzr n GLY 16 Ca 0.08 -0.54 -0.36 0.00 0.00 0.00 0.00 46.02 45.20 2kzr n GLY 16 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2kzr s LEU 17 N -2.49 4.28 0.00 0.99 1.43 -1.24 -5.04 118.68 116.62 2kzr s LEU 17 Ca 0.00 0.40 0.00 0.00 -1.03 0.00 0.00 54.13 53.50 2kzr s LEU 17 Cb 0.00 -2.18 0.00 0.00 0.03 0.00 0.00 46.19 44.04 2kzr s LEU 17 CO 0.00 0.23 0.00 -0.24 0.23 0.00 0.00 176.35 176.57 2kzr n SER 18 N 3.03 1.68 0.07 2.29 2.88 -1.26 -0.76 113.62 121.56 2kzr n SER 18 Ca -0.16 -0.63 -0.15 0.00 -1.33 0.00 0.00 58.87 56.60 2kzr n SER 18 Cb 0.53 0.00 -0.07 0.00 -0.75 0.00 0.00 64.21 63.91 2kzr n SER 18 CO 0.00 0.00 0.00 0.77 -1.23 0.00 0.00 175.04 174.58 2kzr h SER 19 N 0.00 0.58 -0.47 -3.46 4.64 -1.99 -3.33 113.55 109.52 2kzr h SER 19 Ca 0.00 -0.50 -0.02 0.00 -0.47 0.00 0.00 61.79 60.80 2kzr h SER 19 Cb 0.00 -0.18 -0.01 0.00 -0.31 0.00 0.00 62.40 61.90 2kzr h SER 19 CO 0.00 1.31 0.02 0.54 -0.87 0.00 0.00 176.83 177.84 2kzr n ARG 20 N -3.72 4.00 -1.77 4.77 5.12 -1.26 -3.22 116.66 120.57 2kzr n ARG 20 Ca -0.08 -3.04 -0.42 0.00 -1.93 0.00 0.00 57.85 52.37 2kzr n ARG 20 Cb 0.89 -2.10 -0.03 0.00 -1.16 0.00 0.00 32.46 30.06 2kzr n ARG 20 CO 0.00 0.00 0.00 0.99 -1.93 0.00 0.00 177.63 176.69 2kzr s THR 21 N -2.83 2.26 0.75 0.55 2.01 -1.25 -4.63 115.64 112.50 2kzr s THR 21 Ca 0.50 0.12 -0.05 0.00 0.31 0.00 0.00 61.69 62.57 2kzr s THR 21 Cb 0.39 -3.08 0.16 0.00 0.01 0.00 0.00 72.50 69.98 2kzr s THR 21 CO 0.13 0.01 1.03 0.54 -0.69 0.00 0.00 174.62 175.63 2kzr n ARG 22 N 4.32 -0.45 0.18 4.92 1.74 -1.26 -1.20 116.66 124.91 2kzr n ARG 22 Ca 0.16 -2.31 -0.12 0.00 -0.77 0.00 0.00 57.85 54.81 2kzr n ARG 22 Cb 0.36 -0.84 -0.07 0.00 -1.02 0.00 0.00 32.46 30.90 2kzr n ARG 22 CO 0.00 0.00 0.00 1.25 -1.52 0.00 0.00 177.63 177.36 2kzr h LEU 23 N 0.00 -0.99 -1.27 0.55 6.46 -0.95 -0.11 115.31 118.99 2kzr h LEU 23 Ca -0.34 0.08 0.00 0.00 -0.12 0.00 0.00 57.88 57.51 2kzr h LEU 23 Cb 1.12 0.34 0.00 0.00 -0.73 0.00 0.00 40.66 41.38 2kzr h LEU 23 CO 0.31 -0.45 0.00 0.08 -0.62 0.00 0.00 178.44 177.76 2kzr h ARG 24 N -0.67 0.00 0.02 1.25 0.11 -1.85 0.23 114.38 113.47 2kzr h ARG 24 Ca -0.04 0.00 -0.18 0.00 0.10 0.00 0.00 59.98 59.86 2kzr h ARG 24 Cb 0.59 0.00 -0.02 0.00 1.11 0.00 0.00 29.97 31.65 2kzr h ARG 24 CO -0.07 0.00 -0.99 0.93 0.10 0.00 0.00 179.97 179.94 2kzr h GLU 25 N 0.00 0.03 0.02 0.08 4.39 -1.82 -3.26 114.58 114.03 2kzr h GLU 25 Ca 0.00 -0.06 -0.00 0.00 0.34 0.00 0.00 59.36 59.64 2kzr h GLU 25 Cb 0.15 0.02 0.00 0.00 -0.10 0.00 0.00 28.75 28.82 2kzr h GLU 25 CO 0.00 1.03 -0.01 1.25 -1.16 0.00 0.00 179.01 180.12 2kzr h LEU 26 N -0.90 -0.02 -2.14 1.33 7.12 -0.21 -2.46 115.31 118.04 2kzr h LEU 26 Ca -0.26 0.00 0.00 0.00 0.13 0.00 0.00 57.88 57.75 2kzr h LEU 26 Cb 1.30 0.01 0.00 0.00 -0.53 0.00 0.00 40.66 41.44 2kzr h LEU 26 CO -0.12 0.14 0.00 1.56 -0.13 0.00 0.00 178.44 179.89 2kzr h GLN 27 N -0.33 0.00 -0.28 1.25 4.20 -0.78 -1.42 115.11 117.76 2kzr h GLN 27 Ca -0.00 0.00 -0.15 0.00 0.06 0.00 0.00 58.65 58.55 2kzr h GLN 27 Cb 0.02 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 27.79 2kzr h GLN 27 CO 0.00 0.00 -0.45 0.78 -0.67 0.00 0.00 178.83 178.50 2kzr h GLY 28 N 1.14 0.77 1.26 3.46 0.00 -1.56 -2.02 103.07 106.12 2kzr h GLY 28 Ca 0.00 -0.82 -0.20 0.00 0.00 0.00 0.00 47.33 46.32 2kzr h GLY 28 CO 0.00 0.74 -0.66 1.46 0.00 0.00 0.00 176.54 178.08 2kzr h GLN 29 N 0.57 0.75 -0.63 4.80 4.20 -0.79 -3.19 115.11 120.81 2kzr h GLN 29 Ca 0.04 -0.54 0.03 0.00 0.06 0.00 0.00 58.65 58.23 2kzr h GLN 29 Cb 1.00 0.09 -0.03 0.00 0.30 0.00 0.00 27.48 28.83 2kzr h GLN 29 CO 0.09 1.16 0.42 0.82 -0.67 0.00 0.00 178.83 180.65 2kzr h ILE 30 N 0.55 1.10 0.00 2.54 2.04 -1.25 0.25 117.51 122.74 2kzr h ILE 30 Ca -0.02 -0.27 -0.01 0.00 1.00 0.00 0.00 64.86 65.57 2kzr h ILE 30 Cb 1.26 0.26 -0.00 0.00 -0.74 0.00 0.00 36.82 37.60 2kzr h ILE 30 CO 0.13 0.14 -0.04 0.00 0.00 0.00 0.00 178.15 178.38 2kzr h ALA 31 N 1.63 1.59 0.00 1.87 0.00 -1.29 -1.41 119.26 121.64 2kzr h ALA 31 Ca 0.25 -0.04 -0.27 0.00 0.00 0.00 0.00 54.91 54.85 2kzr h ALA 31 Cb 0.04 -0.01 -0.05 0.00 0.00 0.00 0.00 17.79 17.77 2kzr h ALA 31 CO -0.07 0.05 -1.90 0.00 0.00 0.00 0.00 179.25 177.34 2kzr n ALA 32 N -2.38 1.71 -0.02 0.00 0.00 0.03 -3.35 120.51 116.50 2kzr n ALA 32 Ca -0.03 -0.90 -0.01 0.00 0.00 0.00 0.00 53.44 52.51 2kzr n ALA 32 Cb 0.13 -0.63 -0.00 0.00 0.00 0.00 0.00 19.45 18.94 2kzr n ALA 32 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.50 178.32 2kzr h ILE 33 N 0.00 0.00 -0.01 0.00 1.08 -0.26 -3.40 117.51 114.92 2kzr h ILE 33 Ca -0.33 -0.83 0.00 0.00 -0.39 0.00 0.00 64.86 63.32 2kzr h ILE 33 Cb 1.91 0.00 0.00 0.00 -3.07 0.00 0.00 36.82 35.66 2kzr h ILE 33 CO 0.05 0.00 -0.28 1.07 -0.69 0.00 0.00 178.15 178.29 2kzr n THR 34 N -4.46 0.00 -0.99 -0.27 5.66 -0.56 -5.00 114.28 108.65 2kzr n THR 34 Ca -0.01 -0.36 0.00 0.00 -3.05 0.00 0.00 64.05 60.63 2kzr n THR 34 Cb 0.02 1.12 0.00 0.00 -1.55 0.00 0.00 70.33 69.93 2kzr n THR 34 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 2kzr n GLY 35 N 1.01 0.46 3.58 1.09 0.00 -1.01 -4.34 105.19 105.98 2kzr n GLY 35 Ca 0.05 -0.39 -0.42 0.00 0.00 0.00 0.00 46.02 45.26 2kzr n GLY 35 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2kzr s ILE 36 N -2.00 4.91 0.40 -0.61 -1.09 -1.24 -4.65 121.20 116.92 2kzr s ILE 36 Ca 0.00 0.64 -0.26 0.00 -2.23 0.00 0.00 60.65 58.80 2kzr s ILE 36 Cb 0.00 -4.05 -0.10 0.00 -1.58 0.00 0.00 42.46 36.73 2kzr s ILE 36 CO 0.00 -0.26 1.27 0.00 -1.23 0.00 0.00 174.94 174.72 2kzr n ALA 37 N 5.98 1.26 0.13 9.38 0.00 -1.26 -3.08 120.51 132.92 2kzr n ALA 37 Ca -0.01 0.29 0.17 0.00 0.00 0.00 0.00 53.44 53.89 2kzr n ALA 37 Cb 0.49 -2.26 0.75 0.00 0.00 0.00 0.00 19.45 18.43 2kzr n ALA 37 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 2kzr h PRO 38 N 2.20 0.00 0.00 0.00 0.13 -1.92 -0.01 132.00 132.39 2kzr h PRO 38 Ca -0.47 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.66 2kzr h PRO 38 Cb 1.29 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.42 2kzr h PRO 38 CO 0.61 0.00 -0.05 0.78 -0.23 0.00 0.00 178.00 179.10 2kzr h GLY 39 N 0.00 0.00 -0.08 1.56 0.00 -1.94 -3.25 103.07 99.36 2kzr h GLY 39 Ca 0.15 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.48 2kzr h GLY 39 CO -0.00 0.00 -0.40 1.44 0.00 0.00 0.00 176.54 177.58 2kzr n SER 40 N -2.32 1.28 -4.30 0.19 7.64 -0.02 -4.95 113.62 111.13 2kzr n SER 40 Ca 0.05 -1.03 -0.16 0.00 1.01 0.00 0.00 58.87 58.75 2kzr n SER 40 Cb 0.44 0.31 -0.10 0.00 -1.01 0.00 0.00 64.21 63.85 2kzr n SER 40 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2kzr s GLN 41 N -2.57 1.20 0.09 1.43 -2.07 -1.20 -1.37 119.66 115.17 2kzr s GLN 41 Ca 0.20 -1.55 0.01 0.00 -1.82 0.00 0.00 55.36 52.21 2kzr s GLN 41 Cb 0.19 -0.75 -0.00 0.00 -1.09 0.00 0.00 33.01 31.35 2kzr s GLN 41 CO 0.58 0.05 0.04 0.54 -1.32 0.00 0.00 175.29 175.18 2kzr n ARG 42 N -0.31 0.57 -3.57 9.60 1.74 -1.26 -4.78 116.66 118.66 2kzr n ARG 42 Ca -0.08 -0.77 -0.40 0.00 -0.77 0.00 0.00 57.85 55.82 2kzr n ARG 42 Cb 0.61 0.49 -0.08 0.00 -1.02 0.00 0.00 32.46 32.46 2kzr n ARG 42 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 2kzr s ILE 43 N -2.04 4.16 -0.13 0.55 -1.09 -1.17 -4.59 121.20 116.89 2kzr s ILE 43 Ca 0.06 -1.90 -0.01 0.00 -2.23 0.00 0.00 60.65 56.57 2kzr s ILE 43 Cb 0.00 -3.74 -0.02 0.00 -1.58 0.00 0.00 42.46 37.12 2kzr s ILE 43 CO 0.04 -0.79 -0.09 -0.76 -1.23 0.00 0.00 174.94 172.12 2kzr s LEU 44 N 1.23 2.94 0.00 2.97 1.43 -1.25 -4.30 118.68 121.70 2kzr s LEU 44 Ca 0.07 -0.22 0.02 0.00 -1.03 0.00 0.00 54.13 52.97 2kzr s LEU 44 Cb -0.25 -1.68 -0.01 0.00 0.03 0.00 0.00 46.19 44.28 2kzr s LEU 44 CO -0.01 0.19 0.09 1.33 0.23 0.00 0.00 176.35 178.18 2kzr n VAL 45 N 3.35 0.00 -1.16 -1.59 0.24 -1.26 -0.60 118.33 117.31 2kzr n VAL 45 Ca -0.18 -1.13 -0.27 0.00 -2.04 0.00 0.00 64.34 60.72 2kzr n VAL 45 Cb 0.53 0.46 -0.09 0.00 -1.47 0.00 0.00 33.84 33.27 2kzr n VAL 45 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2kzr n GLY 46 N 0.49 3.68 3.41 7.63 0.00 -1.26 -4.73 105.19 114.40 2kzr n GLY 46 Ca -0.01 -1.35 -0.10 0.00 0.00 0.00 0.00 46.02 44.56 2kzr n GLY 46 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 2kzr s TYR 47 N 1.74 0.57 -0.53 1.61 1.13 -1.26 -5.10 117.35 115.51 2kzr s TYR 47 Ca 0.67 -0.90 -0.27 0.00 -1.41 0.00 0.00 57.07 55.17 2kzr s TYR 47 Cb 0.23 -0.08 -0.08 0.00 -1.10 0.00 0.00 41.96 40.93 2kzr s TYR 47 CO -0.03 -0.81 2.44 -0.35 -2.51 0.00 0.00 175.55 174.28 2kzr n PRO 48 N -0.30 0.96 -2.46 -3.49 -0.04 -1.26 -4.93 135.00 123.49 2kzr n PRO 48 Ca -0.03 0.01 -0.41 0.00 -0.04 0.00 0.00 63.50 63.03 2kzr n PRO 48 Cb 0.63 -3.26 -0.04 0.00 -0.04 0.00 0.00 33.50 30.79 2kzr n PRO 48 CO 0.00 0.00 0.00 -1.25 -0.04 0.00 0.00 175.50 174.21 2kzr s PRO 49 N 8.31 4.61 0.00 0.54 0.04 -1.26 -4.93 135.00 142.30 2kzr s PRO 49 Ca 1.02 1.82 0.25 0.00 0.04 0.00 0.00 61.00 64.13 2kzr s PRO 49 Cb -0.28 -3.20 1.47 0.00 0.04 0.00 0.00 34.50 32.53 2kzr s PRO 49 CO 0.29 0.14 1.87 0.39 0.04 0.00 0.00 177.00 179.72 2kzr n GLU 50 N 1.52 0.73 -3.17 4.56 -0.58 -1.26 -4.91 120.64 117.53 2kzr n GLU 50 Ca 0.00 0.01 -0.14 0.00 -0.42 0.00 0.00 57.16 56.61 2kzr n GLU 50 Cb 0.45 -1.50 0.07 0.00 -0.57 0.00 0.00 31.44 29.89 2kzr n GLU 50 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2kzr s LEU 52 N -5.38 3.32 -0.14 0.00 1.43 -1.26 -4.96 118.68 111.69 2kzr s LEU 52 Ca 0.35 0.53 -0.24 0.00 -1.03 0.00 0.00 54.13 53.75 2kzr s LEU 52 Cb -0.05 -2.52 -0.02 0.00 0.03 0.00 0.00 46.19 43.63 2kzr s LEU 52 CO 0.69 -2.52 0.75 1.51 0.23 0.00 0.00 176.35 177.00 2kzr s ASP 53 N 9.23 6.91 -0.52 2.29 -4.77 -1.26 -3.06 116.67 125.49 2kzr s ASP 53 Ca 0.75 1.11 -0.23 0.00 -3.30 0.00 0.00 52.55 50.89 2kzr s ASP 53 Cb -0.14 -2.42 0.04 0.00 -1.09 0.00 0.00 42.92 39.32 2kzr s ASP 53 CO 0.22 -0.28 0.82 -0.76 0.70 0.00 0.00 175.17 175.87 2kzr s LEU 54 N 1.65 4.37 -0.17 2.11 1.02 -1.26 -4.89 118.68 121.52 2kzr s LEU 54 Ca 0.36 -0.46 0.17 0.00 0.02 0.00 0.00 54.13 54.22 2kzr s LEU 54 Cb -0.17 -2.75 0.50 0.00 0.02 0.00 0.00 46.19 43.80 2kzr s LEU 54 CO 0.14 -1.07 1.39 -0.24 0.02 0.00 0.00 176.35 176.59 2kzr n SER 55 N 6.95 3.72 -3.79 2.29 2.88 -1.26 -4.92 113.62 119.49 2kzr n SER 55 Ca -0.00 -2.99 -0.25 0.00 -1.33 0.00 0.00 58.87 54.30 2kzr n SER 55 Cb 0.47 -0.52 -0.17 0.00 -0.75 0.00 0.00 64.21 63.24 2kzr n SER 55 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 2kzr s ASP 56 N -1.98 1.95 0.41 -3.46 -1.08 -1.26 -5.05 116.67 106.21 2kzr s ASP 56 Ca 0.41 -0.27 0.10 0.00 -0.52 0.00 0.00 52.55 52.26 2kzr s ASP 56 Cb 0.33 -0.54 0.91 0.00 -1.46 0.00 0.00 42.92 42.16 2kzr s ASP 56 CO 0.09 -0.20 2.01 0.08 0.52 0.00 0.00 175.17 177.66 2kzr h ARG 57 N 8.28 0.51 -0.02 4.34 0.11 -1.99 -2.36 114.38 123.25 2kzr h ARG 57 Ca -0.21 -0.03 0.00 0.00 0.10 0.00 0.00 59.98 59.84 2kzr h ARG 57 Cb 1.12 -0.12 0.00 0.00 1.11 0.00 0.00 29.97 32.09 2kzr h ARG 57 CO 0.30 0.34 -0.05 -0.25 0.10 0.00 0.00 179.97 180.41 2kzr n ASP 58 N -4.47 2.06 -4.67 0.08 8.00 -1.26 -2.84 116.55 113.44 2kzr n ASP 58 Ca 0.07 -1.64 -0.42 0.00 0.71 0.00 0.00 54.79 53.51 2kzr n ASP 58 Cb 0.22 0.04 -0.03 0.00 -0.02 0.00 0.00 41.12 41.33 2kzr n ASP 58 CO 0.00 0.00 0.00 -0.51 -0.39 0.00 0.00 177.20 176.30 2kzr s ILE 59 N -2.07 2.94 0.63 0.53 2.07 -0.89 -4.65 121.20 119.76 2kzr s ILE 59 Ca 0.32 0.16 -0.02 0.00 -1.41 0.00 0.00 60.65 59.70 2kzr s ILE 59 Cb 0.20 -3.10 0.06 0.00 0.13 0.00 0.00 42.46 39.75 2kzr s ILE 59 CO 0.35 -0.01 0.89 0.42 -1.91 0.00 0.00 174.94 174.69 2kzr s THR 60 N 3.68 2.44 -1.20 4.00 -4.23 -1.26 -1.08 115.64 117.98 2kzr s THR 60 Ca 0.83 -0.53 0.16 0.00 -1.18 0.00 0.00 61.69 60.97 2kzr s THR 60 Cb -0.42 -2.92 0.20 0.00 1.34 0.00 0.00 72.50 70.70 2kzr s THR 60 CO 0.37 0.00 1.48 0.18 -0.54 0.00 0.00 174.62 176.11 2kzr n LEU 61 N -2.63 0.00 0.22 4.79 4.77 -0.34 -1.91 117.00 121.90 2kzr n LEU 61 Ca 0.09 0.40 0.11 0.00 -0.03 0.00 0.00 56.01 56.58 2kzr n LEU 61 Cb 0.60 -0.40 0.43 0.00 -2.33 0.00 0.00 43.42 41.72 2kzr n LEU 61 CO 0.47 -0.19 0.80 1.23 -1.33 0.00 0.00 177.39 178.37 2kzr h GLY 62 N 2.66 0.00 0.19 -0.72 0.00 -1.85 -3.33 103.07 100.01 2kzr h GLY 62 Ca 0.00 0.00 -0.25 0.00 0.00 0.00 0.00 47.33 47.08 2kzr h GLY 62 CO 0.00 0.00 -1.35 -0.55 0.00 0.00 0.00 176.54 174.64 2kzr h ASP 63 N 0.00 0.13 -3.30 0.19 3.32 -1.75 -3.48 116.42 111.53 2kzr h ASP 63 Ca -0.00 -0.67 -0.50 0.00 0.02 0.00 0.00 57.03 55.89 2kzr h ASP 63 Cb 0.79 -0.04 0.01 0.00 0.22 0.00 0.00 39.33 40.31 2kzr h ASP 63 CO 0.03 1.55 -0.04 -0.76 -1.72 0.00 0.00 179.24 178.30 2kzr s LEU 64 N -7.69 3.89 0.00 1.55 2.01 -1.20 -4.99 118.68 112.25 2kzr s LEU 64 Ca -0.26 0.78 -0.03 0.00 0.01 0.00 0.00 54.13 54.64 2kzr s LEU 64 Cb 0.05 -3.66 -0.12 0.00 0.01 0.00 0.00 46.19 42.47 2kzr s LEU 64 CO 0.65 -0.36 2.65 -2.65 1.01 0.00 0.00 176.35 177.66 2kzr n PRO 65 N -1.55 1.40 -2.85 1.29 -0.02 -1.26 -4.78 135.00 127.24 2kzr n PRO 65 Ca -0.01 -0.46 -0.42 0.00 -2.02 0.00 0.00 63.50 60.60 2kzr n PRO 65 Cb 0.55 -1.48 -0.04 0.00 -0.02 0.00 0.00 33.50 32.51 2kzr n PRO 65 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 2kzr s ILE 66 N 0.59 4.86 0.42 4.25 1.09 -1.26 -4.97 121.20 126.18 2kzr s ILE 66 Ca 0.31 1.72 0.07 0.00 -1.10 0.00 0.00 60.65 61.64 2kzr s ILE 66 Cb 0.15 -4.17 -0.07 0.00 -1.06 0.00 0.00 42.46 37.30 2kzr s ILE 66 CO 0.00 0.03 0.01 -1.10 -0.10 0.00 0.00 174.94 173.78 2kzr s GLN 67 N 2.09 1.98 -0.37 2.79 -0.21 -1.26 -4.87 119.66 119.82 2kzr s GLN 67 Ca 0.40 -2.13 -0.29 0.00 0.02 0.00 0.00 55.36 53.36 2kzr s GLN 67 Cb -0.17 -1.63 0.00 0.00 1.00 0.00 0.00 33.01 32.21 2kzr s GLN 67 CO 0.14 -0.08 1.41 0.45 -2.12 0.00 0.00 175.29 175.09 2kzr s SER 68 N -3.73 6.40 0.00 5.90 0.15 -1.26 -2.45 113.70 118.72 2kzr s SER 68 Ca 0.33 0.98 0.00 0.00 0.70 0.00 0.00 55.95 57.96 2kzr s SER 68 Cb 0.09 -2.54 0.00 0.00 -1.71 0.00 0.00 66.02 61.86 2kzr s SER 68 CO 0.17 -1.35 0.00 0.61 1.20 0.00 0.00 173.24 173.87 2kzr n GLY 69 N 4.88 0.75 3.90 9.45 0.00 -0.15 -4.92 105.19 119.10 2kzr n GLY 69 Ca 0.16 -0.17 -0.29 0.00 0.00 0.00 0.00 46.02 45.72 2kzr n GLY 69 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2kzr s ASP 70 N -2.16 4.50 -0.25 1.61 -1.08 -1.03 -4.78 116.67 113.49 2kzr s ASP 70 Ca 0.00 0.77 0.00 0.00 -0.52 0.00 0.00 52.55 52.81 2kzr s ASP 70 Cb 0.00 -1.26 0.04 0.00 -1.46 0.00 0.00 42.92 40.23 2kzr s ASP 70 CO 0.00 -1.91 -0.09 -0.32 0.52 0.00 0.00 175.17 173.37 2kzr s MET 71 N -5.58 2.63 -0.53 4.34 -2.45 -1.26 -1.28 119.30 115.17 2kzr s MET 71 Ca 0.62 -1.10 -0.21 0.00 -1.25 0.00 0.00 55.69 53.74 2kzr s MET 71 Cb -0.11 -2.91 0.05 0.00 1.25 0.00 0.00 34.83 33.11 2kzr s MET 71 CO 0.49 -0.45 0.77 -0.51 1.05 0.00 0.00 175.02 176.37 2kzr s LEU 72 N 1.24 4.57 -0.98 4.11 1.02 -0.22 -4.41 118.68 124.02 2kzr s LEU 72 Ca -0.03 -0.65 -0.24 0.00 0.02 0.00 0.00 54.13 53.24 2kzr s LEU 72 Cb -0.17 -2.62 -0.00 0.00 0.02 0.00 0.00 46.19 43.41 2kzr s LEU 72 CO -0.06 -1.04 1.71 -0.63 0.02 0.00 0.00 176.35 176.36 2kzr s ILE 73 N 3.22 3.69 -0.45 -0.59 1.09 0.23 -1.19 121.20 127.20 2kzr s ILE 73 Ca 0.22 -0.61 -0.28 0.00 -1.10 0.00 0.00 60.65 58.88 2kzr s ILE 73 Cb -0.16 -4.54 -0.00 0.00 -1.06 0.00 0.00 42.46 36.70 2kzr s ILE 73 CO 0.15 -1.43 1.61 -0.69 -0.10 0.00 0.00 174.94 174.48 2kzr s VAL 74 N 7.60 3.65 0.66 2.92 1.01 0.70 -3.85 120.40 133.09 2kzr s VAL 74 Ca 0.58 0.60 -0.11 0.00 0.00 0.00 0.00 61.98 63.06 2kzr s VAL 74 Cb -0.03 -4.03 -0.01 0.00 0.00 0.00 0.00 36.38 32.31 2kzr s VAL 74 CO -0.04 -0.76 1.05 -1.83 0.00 0.00 0.00 175.10 173.52 2kzr s GLU 75 N 5.64 3.23 -0.13 2.72 -1.05 -1.26 -4.17 118.70 123.68 2kzr s GLU 75 Ca 0.66 0.87 0.01 0.00 -0.15 0.00 0.00 54.97 56.36 2kzr s GLU 75 Cb -0.16 -2.03 0.02 0.00 -0.44 0.00 0.00 34.13 31.52 2kzr s GLU 75 CO 0.29 -0.86 -0.14 -2.00 0.95 0.00 0.00 175.26 173.50 2kzr s GLU 76 N -5.07 2.20 0.56 -4.83 2.12 -1.24 -3.90 118.70 108.54 2kzr s GLU 76 Ca 0.57 -0.53 0.33 0.00 0.36 0.00 0.00 54.97 55.70 2kzr s GLU 76 Cb -0.13 -1.99 1.61 0.00 0.26 0.00 0.00 34.13 33.87 2kzr s GLU 76 CO 0.54 -0.19 2.09 0.22 -0.54 0.00 0.00 175.26 177.38 2kzr h ASP 77 N 7.89 0.00 -3.36 -1.70 3.58 -1.59 -3.47 116.42 117.76 2kzr h ASP 77 Ca -0.35 0.00 -0.34 0.00 0.42 0.00 0.00 57.03 56.75 2kzr h ASP 77 Cb 1.15 0.00 0.03 0.00 1.72 0.00 0.00 39.33 42.22 2kzr h ASP 77 CO 0.51 0.06 -0.49 0.00 -2.88 0.00 0.00 179.24 176.44 2kzr n GLN 78 N -3.30 -3.20 0.08 0.28 6.02 -1.26 -4.92 117.38 111.07 2kzr n GLN 78 Ca -0.01 0.79 -0.03 0.00 -0.01 0.00 0.00 57.00 57.75 2kzr n GLN 78 Cb 0.24 -5.32 0.21 0.00 1.02 0.00 0.00 30.24 26.39 2kzr n GLN 78 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 2kzr h THR 79 N -0.77 1.30 -2.23 5.09 1.03 -1.97 -3.46 112.91 111.90 2kzr h THR 79 Ca -0.44 -1.49 -0.01 0.00 -0.01 0.00 0.00 66.41 64.46 2kzr h THR 79 Cb 1.31 1.63 -0.17 0.00 -1.07 0.00 0.00 68.15 69.85 2kzr h THR 79 CO 0.48 0.45 0.28 0.00 -0.01 0.00 0.00 175.52 176.72 2kzr s ARG 80 N -4.19 1.02 0.90 0.00 1.04 -1.26 -5.19 118.95 111.27 2kzr s ARG 80 Ca -0.05 -0.01 -0.11 0.00 -1.04 0.00 0.00 55.73 54.52 2kzr s ARG 80 Cb 0.13 0.48 0.13 0.00 -2.04 0.00 0.00 34.95 33.65 2kzr s ARG 80 CO 0.78 -0.37 1.09 -1.25 -0.04 0.00 0.00 175.30 175.51 2kzr s PRO 81 N -2.06 1.24 -1.01 3.89 0.04 -1.26 -4.91 135.00 130.92 2kzr s PRO 81 Ca -0.05 0.88 -0.24 0.00 0.04 0.00 0.00 61.00 61.63 2kzr s PRO 81 Cb -0.00 -1.80 -0.05 0.00 0.04 0.00 0.00 34.50 32.69 2kzr s PRO 81 CO 0.01 -2.27 1.90 0.15 0.04 0.00 0.00 177.00 176.82 2kzr s LYS 82 N -4.90 2.68 -0.01 4.56 1.02 -1.26 -4.95 119.74 116.87 2kzr s LYS 82 Ca 0.64 -0.69 -0.19 0.00 0.02 0.00 0.00 55.97 55.74 2kzr s LYS 82 Cb -0.18 -5.16 -0.05 0.00 -0.52 0.00 0.00 37.83 31.91 2kzr s LYS 82 CO 0.57 -3.43 0.55 0.00 -0.92 0.00 0.00 175.35 172.12 2kzr s ALA 83 N 9.74 3.52 -0.15 5.17 0.00 -1.26 -5.09 121.76 133.69 2kzr s ALA 83 Ca 0.67 -0.04 -0.06 0.00 0.00 0.00 0.00 51.96 52.52 2kzr s ALA 83 Cb -0.04 -2.67 -0.04 0.00 0.00 0.00 0.00 23.12 20.38 2kzr s ALA 83 CO 0.03 0.21 0.08 0.45 0.00 0.00 0.00 175.76 176.53 2kzr s SER 84 N -0.28 5.82 0.50 0.00 0.15 -1.26 -5.01 113.70 113.62 2kzr s SER 84 Ca 0.29 0.22 0.17 0.00 0.70 0.00 0.00 55.95 57.32 2kzr s SER 84 Cb -0.18 -1.91 1.23 0.00 -1.71 0.00 0.00 66.02 63.46 2kzr s SER 84 CO 0.16 0.28 2.09 -0.65 1.20 0.00 0.00 173.24 176.31 2kzr h PRO 85 N 5.92 0.10 0.00 5.44 0.11 -2.05 -3.56 132.00 137.96 2kzr h PRO 85 Ca -0.45 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.65 2kzr h PRO 85 Cb 1.19 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.28 2kzr h PRO 85 CO 0.65 0.06 0.00 0.43 -0.21 0.00 0.00 178.00 178.93