#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 3.76 -0.08 -0.99 0.52 -1.26 -4.27 118.95 116.63 2kzr s ARG 2 Ca 0.00 -1.87 -0.06 0.00 -0.52 0.00 0.00 55.73 53.28 2kzr s ARG 2 Cb 0.00 -5.11 -0.04 0.00 0.52 0.00 0.00 34.95 30.32 2kzr s ARG 2 CO 0.00 -1.91 0.17 0.08 0.02 0.00 0.00 175.30 173.66 2kzr s VAL 3 N 3.04 5.46 -0.63 3.52 1.01 -1.11 -3.22 120.40 128.47 2kzr s VAL 3 Ca 0.40 0.16 -0.16 0.00 0.00 0.00 0.00 61.98 62.38 2kzr s VAL 3 Cb -0.02 -3.45 0.15 0.00 0.00 0.00 0.00 36.38 33.05 2kzr s VAL 3 CO -0.05 0.54 0.61 -0.13 0.00 0.00 0.00 175.10 176.07 2kzr s ARG 4 N -1.27 3.16 -0.71 2.72 0.52 -0.87 -1.34 118.95 121.16 2kzr s ARG 4 Ca 0.19 -1.83 -0.27 0.00 -0.52 0.00 0.00 55.73 53.30 2kzr s ARG 4 Cb -0.12 -4.34 0.03 0.00 0.52 0.00 0.00 34.95 31.03 2kzr s ARG 4 CO 0.08 -1.37 1.26 0.00 0.02 0.00 0.00 175.30 175.29 2kzr s LYS 6 N 5.57 3.22 0.29 0.00 2.47 0.18 -1.02 119.74 130.44 2kzr s LYS 6 Ca 0.36 0.28 0.02 0.00 -1.56 0.00 0.00 55.97 55.07 2kzr s LYS 6 Cb -0.08 -4.16 -0.04 0.00 -1.46 0.00 0.00 37.83 32.09 2kzr s LYS 6 CO 0.16 -2.05 0.12 0.00 0.16 0.00 0.00 175.35 173.75 2kzr s ALA 7 N 6.20 1.92 -0.17 3.13 0.00 -0.81 -0.54 121.76 131.48 2kzr s ALA 7 Ca 0.49 -1.79 -0.29 0.00 0.00 0.00 0.00 51.96 50.37 2kzr s ALA 7 Cb -0.10 1.06 -0.06 0.00 0.00 0.00 0.00 23.12 24.01 2kzr s ALA 7 CO 0.22 -0.47 2.16 0.36 0.00 0.00 0.00 175.76 178.04 2kzr n LYS 8 N -0.55 2.11 0.00 0.00 2.85 -1.26 -1.41 118.16 119.90 2kzr n LYS 8 Ca -0.00 0.64 0.00 0.00 -1.05 0.00 0.00 58.31 57.90 2kzr n LYS 8 Cb 0.66 -3.13 0.00 0.00 -0.65 0.00 0.00 35.03 31.91 2kzr n LYS 8 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 2kzr n GLY 9 N 5.52 1.34 0.00 2.58 0.00 -1.26 -5.05 105.19 108.31 2kzr n GLY 9 Ca 0.28 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.30 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 -0.53 -1.57 3.87 -0.02 0.00 -0.50 -5.00 105.19 101.44 2kzr n GLY 10 Ca 0.00 -2.07 -0.31 0.00 0.00 0.00 0.00 46.02 43.65 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 0.00 4.70 -0.05 2.61 2.01 -1.26 -1.93 115.64 121.72 2kzr s THR 11 Ca 0.00 0.85 -0.02 0.00 0.31 0.00 0.00 61.69 62.83 2kzr s THR 11 Cb 0.00 -3.81 0.03 0.00 0.01 0.00 0.00 72.50 68.73 2kzr s THR 11 CO 0.00 -0.90 0.05 -1.00 -0.69 0.00 0.00 174.62 172.07 2kzr s HIS 12 N -2.86 0.21 -0.62 4.92 4.02 -0.19 -4.93 115.29 115.84 2kzr s HIS 12 Ca 0.55 0.16 -0.18 0.00 1.02 0.00 0.00 55.06 56.60 2kzr s HIS 12 Cb -0.11 -0.56 0.12 0.00 -1.02 0.00 0.00 32.58 31.02 2kzr s HIS 12 CO 0.44 -0.22 0.68 -1.17 1.02 0.00 0.00 174.74 175.48 2kzr s LEU 13 N 2.12 5.70 0.20 0.89 1.98 -1.26 -0.36 118.68 127.94 2kzr s LEU 13 Ca 0.05 -1.67 -0.24 0.00 -2.89 0.00 0.00 54.13 49.38 2kzr s LEU 13 Cb -0.12 -2.28 -0.08 0.00 0.66 0.00 0.00 46.19 44.37 2kzr s LEU 13 CO -0.04 -1.00 0.79 -0.76 -1.89 0.00 0.00 176.35 173.45 2kzr s LEU 14 N 2.19 4.50 0.55 -0.68 1.02 -0.45 -4.90 118.68 120.90 2kzr s LEU 14 Ca 0.11 1.61 0.04 0.00 0.02 0.00 0.00 54.13 55.91 2kzr s LEU 14 Cb -0.23 -3.47 0.03 0.00 0.02 0.00 0.00 46.19 42.54 2kzr s LEU 14 CO 0.03 0.13 0.29 -1.10 0.02 0.00 0.00 176.35 175.72 2kzr s GLN 15 N -1.48 2.24 -1.15 1.70 1.11 -1.26 -2.75 119.66 118.06 2kzr s GLN 15 Ca 0.40 -2.17 0.00 0.00 0.01 0.00 0.00 55.36 53.60 2kzr s GLN 15 Cb -0.21 -1.92 0.00 0.00 -1.01 0.00 0.00 33.01 29.87 2kzr s GLN 15 CO 0.25 -0.58 0.00 0.41 0.01 0.00 0.00 175.29 175.37 2kzr n GLY 16 N -1.65 0.05 3.38 3.09 0.00 -1.26 -4.99 105.19 103.81 2kzr n GLY 16 Ca -0.08 -0.35 -0.38 0.00 0.00 0.00 0.00 46.02 45.21 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 -3.64 4.17 0.54 0.99 1.43 -1.26 -4.98 118.68 115.93 2kzr s LEU 17 Ca 0.00 -0.74 0.04 0.00 -1.03 0.00 0.00 54.13 52.40 2kzr s LEU 17 Cb 0.00 -1.96 0.05 0.00 0.03 0.00 0.00 46.19 44.31 2kzr s LEU 17 CO 0.00 -0.25 0.75 -0.55 0.23 0.00 0.00 176.35 176.53 2kzr s SER 18 N 1.55 5.24 0.50 2.29 0.15 -1.26 -0.48 113.70 121.68 2kzr s SER 18 Ca 0.03 -0.28 0.27 0.00 0.70 0.00 0.00 55.95 56.66 2kzr s SER 18 Cb -0.18 -0.55 1.29 0.00 -1.71 0.00 0.00 66.02 64.87 2kzr s SER 18 CO 0.05 -1.16 1.99 0.77 1.20 0.00 0.00 173.24 176.09 2kzr h SER 19 N 0.17 0.00 -0.60 5.45 4.64 -1.98 -2.63 113.55 118.59 2kzr h SER 19 Ca -0.39 0.00 -0.10 0.00 -0.47 0.00 0.00 61.79 60.83 2kzr h SER 19 Cb 1.29 0.00 -0.06 0.00 -0.31 0.00 0.00 62.40 63.32 2kzr h SER 19 CO 0.47 0.15 0.11 0.54 -0.87 0.00 0.00 176.83 177.24 2kzr n ARG 20 N -3.52 4.09 -1.93 4.77 3.00 -1.26 -1.53 116.66 120.28 2kzr n ARG 20 Ca -0.01 -3.10 -0.43 0.00 -0.01 0.00 0.00 57.85 54.30 2kzr n ARG 20 Cb 0.30 -2.19 -0.03 0.00 0.00 0.00 0.00 32.46 30.55 2kzr n ARG 20 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.63 178.62 2kzr s THR 21 N -2.89 3.40 0.99 0.55 2.01 -0.99 -4.78 115.64 113.93 2kzr s THR 21 Ca 0.53 0.42 -0.17 0.00 0.31 0.00 0.00 61.69 62.79 2kzr s THR 21 Cb 0.42 -3.51 0.24 0.00 0.01 0.00 0.00 72.50 69.66 2kzr s THR 21 CO 0.14 -0.30 1.05 0.54 -0.69 0.00 0.00 174.62 175.35 2kzr n ARG 22 N 8.34 -2.15 0.14 4.92 1.74 -1.26 -1.70 116.66 126.69 2kzr n ARG 22 Ca 0.23 -1.65 -0.13 0.00 -0.77 0.00 0.00 57.85 55.53 2kzr n ARG 22 Cb 0.46 -1.34 -0.06 0.00 -1.02 0.00 0.00 32.46 30.50 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 -0.62 -2.33 0.55 6.46 -0.89 -0.20 115.31 118.29 2kzr h LEU 23 Ca -0.37 0.06 -0.01 0.00 -0.12 0.00 0.00 57.88 57.45 2kzr h LEU 23 Cb 1.08 0.22 -0.00 0.00 -0.73 0.00 0.00 40.66 41.23 2kzr h LEU 23 CO 0.25 -0.32 -0.03 0.08 -0.62 0.00 0.00 178.44 177.79 2kzr h ARG 24 N -0.46 0.00 0.00 1.25 0.11 -1.88 -0.58 114.38 112.83 2kzr h ARG 24 Ca 0.01 0.00 -0.11 0.00 0.10 0.00 0.00 59.98 59.98 2kzr h ARG 24 Cb 0.45 0.00 -0.02 0.00 1.11 0.00 0.00 29.97 31.51 2kzr h ARG 24 CO -0.08 0.03 -0.73 0.93 0.10 0.00 0.00 179.97 180.22 2kzr h GLU 25 N 0.00 0.00 0.21 0.08 4.39 -1.84 -3.13 114.58 114.29 2kzr h GLU 25 Ca -0.00 0.00 -0.01 0.00 0.34 0.00 0.00 59.36 59.69 2kzr h GLU 25 Cb 0.19 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.84 2kzr h GLU 25 CO 0.00 0.66 -0.10 1.25 -1.16 0.00 0.00 179.01 179.66 2kzr h LEU 26 N -1.00 -0.23 -1.36 1.33 7.12 -0.90 -1.09 115.31 119.17 2kzr h LEU 26 Ca -0.17 0.01 0.00 0.00 0.13 0.00 0.00 57.88 57.85 2kzr h LEU 26 Cb 0.93 0.06 0.00 0.00 -0.53 0.00 0.00 40.66 41.12 2kzr h LEU 26 CO -0.10 -0.05 0.00 1.56 -0.13 0.00 0.00 178.44 179.72 2kzr h GLN 27 N -0.52 0.00 -0.12 1.25 4.20 -1.31 -1.29 115.11 117.32 2kzr h GLN 27 Ca -0.03 0.00 -0.20 0.00 0.06 0.00 0.00 58.65 58.48 2kzr h GLN 27 Cb 0.21 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.99 2kzr h GLN 27 CO 0.05 0.00 -0.76 0.78 -0.67 0.00 0.00 178.83 178.23 2kzr h GLY 28 N 1.59 0.67 1.17 3.46 0.00 -1.48 -2.08 103.07 106.40 2kzr h GLY 28 Ca 0.00 -0.95 -0.14 0.00 0.00 0.00 0.00 47.33 46.24 2kzr h GLY 28 CO 0.00 0.84 -0.30 1.46 0.00 0.00 0.00 176.54 178.55 2kzr h GLN 29 N 0.41 0.93 -0.74 4.80 4.20 -0.09 -3.04 115.11 121.59 2kzr h GLN 29 Ca -0.04 -0.44 0.01 0.00 0.06 0.00 0.00 58.65 58.25 2kzr h GLN 29 Cb 1.36 -0.01 -0.04 0.00 0.30 0.00 0.00 27.48 29.09 2kzr h GLN 29 CO 0.14 1.10 0.49 0.82 -0.67 0.00 0.00 178.83 180.71 2kzr h ILE 30 N 0.78 1.17 0.00 2.54 2.04 -1.35 0.19 117.51 122.88 2kzr h ILE 30 Ca 0.09 -0.33 -0.00 0.00 1.00 0.00 0.00 64.86 65.61 2kzr h ILE 30 Cb 0.87 0.11 -0.00 0.00 -0.74 0.00 0.00 36.82 37.07 2kzr h ILE 30 CO 0.08 0.18 -0.01 0.00 0.00 0.00 0.00 178.15 178.39 2kzr h ALA 31 N 1.55 1.38 0.06 1.87 0.00 -1.16 -1.21 119.26 121.75 2kzr h ALA 31 Ca 0.28 -0.01 -0.36 0.00 0.00 0.00 0.00 54.91 54.82 2kzr h ALA 31 Cb -0.07 -0.00 -0.04 0.00 0.00 0.00 0.00 17.79 17.68 2kzr h ALA 31 CO -0.07 0.02 -2.03 0.00 0.00 0.00 0.00 179.25 177.17 2kzr n ALA 32 N -2.26 1.03 0.20 0.00 0.00 -0.25 -3.56 120.51 115.66 2kzr n ALA 32 Ca -0.03 -0.75 -0.08 0.00 0.00 0.00 0.00 53.44 52.58 2kzr n ALA 32 Cb 0.10 -0.42 -0.04 0.00 0.00 0.00 0.00 19.45 19.09 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 -0.29 0.00 -0.05 0.00 1.08 -0.46 -3.36 117.51 114.42 2kzr h ILE 33 Ca -0.48 -0.28 0.00 0.00 -0.39 0.00 0.00 64.86 63.71 2kzr h ILE 33 Cb 1.80 0.00 0.00 0.00 -3.07 0.00 0.00 36.82 35.55 2kzr h ILE 33 CO -0.08 0.00 0.00 1.07 -0.69 0.00 0.00 178.15 178.45 2kzr n THR 34 N -4.21 0.10 -0.97 -0.27 5.66 -0.60 -5.00 114.28 108.99 2kzr n THR 34 Ca -0.07 -0.55 0.00 0.00 -3.05 0.00 0.00 64.05 60.38 2kzr n THR 34 Cb 0.21 1.19 0.00 0.00 -1.55 0.00 0.00 70.33 70.18 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 0.72 0.88 3.54 1.09 0.00 -0.56 -4.99 105.19 105.87 2kzr n GLY 35 Ca 0.08 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.67 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 -3.52 4.45 0.53 -0.61 -1.09 -1.19 -4.81 121.20 114.95 2kzr s ILE 36 Ca 0.00 0.47 -0.21 0.00 -2.23 0.00 0.00 60.65 58.68 2kzr s ILE 36 Cb 0.00 -4.48 -0.05 0.00 -1.58 0.00 0.00 42.46 36.35 2kzr s ILE 36 CO 0.00 -0.97 1.25 0.00 -1.23 0.00 0.00 174.94 173.99 2kzr s ALA 37 N 3.81 2.78 0.46 9.38 0.00 -1.26 -2.70 121.76 134.23 2kzr s ALA 37 Ca 0.33 1.11 0.25 0.00 0.00 0.00 0.00 51.96 53.64 2kzr s ALA 37 Cb -0.12 -3.47 1.28 0.00 0.00 0.00 0.00 23.12 20.81 2kzr s ALA 37 CO 0.22 -1.08 1.82 -1.00 0.00 0.00 0.00 175.76 175.72 2kzr h PRO 38 N 1.46 0.22 -0.37 0.00 0.13 -1.91 -0.48 132.00 131.04 2kzr h PRO 38 Ca -0.50 -0.01 0.00 0.00 -0.87 0.00 0.00 66.00 64.61 2kzr h PRO 38 Cb 1.28 -0.05 0.00 0.00 0.13 0.00 0.00 31.00 32.36 2kzr h PRO 38 CO 0.57 0.14 0.00 0.41 -0.23 0.00 0.00 178.00 178.90 2kzr n GLY 39 N -1.60 -0.03 0.24 1.56 0.00 -1.26 -2.89 105.19 101.20 2kzr n GLY 39 Ca 0.22 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.25 2kzr n GLY 39 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2kzr n SER 40 N -0.30 0.11 -3.84 1.61 7.64 -0.19 -4.96 113.62 113.69 2kzr n SER 40 Ca 0.00 -1.55 -0.10 0.00 1.01 0.00 0.00 58.87 58.22 2kzr n SER 40 Cb 0.09 -0.11 -0.08 0.00 -1.01 0.00 0.00 64.21 63.10 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 -0.10 0.71 0.19 1.43 -2.07 -1.14 -1.41 119.66 117.27 2kzr s GLN 41 Ca 0.01 -0.66 0.01 0.00 -1.82 0.00 0.00 55.36 52.90 2kzr s GLN 41 Cb 0.01 0.29 -0.00 0.00 -1.09 0.00 0.00 33.01 32.22 2kzr s GLN 41 CO 0.00 -0.21 0.03 0.54 -1.32 0.00 0.00 175.29 174.33 2kzr n ARG 42 N 0.62 1.19 -3.67 9.60 1.74 -1.26 -4.82 116.66 120.05 2kzr n ARG 42 Ca -0.18 -1.47 -0.38 0.00 -0.77 0.00 0.00 57.85 55.05 2kzr n ARG 42 Cb 0.59 0.56 -0.10 0.00 -1.02 0.00 0.00 32.46 32.50 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 -1.93 3.75 -0.09 0.55 -1.09 -1.17 -4.58 121.20 116.63 2kzr s ILE 43 Ca 0.04 -2.11 -0.02 0.00 -2.23 0.00 0.00 60.65 56.33 2kzr s ILE 43 Cb 0.00 -3.50 -0.03 0.00 -1.58 0.00 0.00 42.46 37.35 2kzr s ILE 43 CO 0.03 -0.76 -0.01 -0.76 -1.23 0.00 0.00 174.94 172.21 2kzr s LEU 44 N 1.01 3.53 0.51 2.97 1.43 -1.23 -4.36 118.68 122.53 2kzr s LEU 44 Ca 0.09 0.12 0.01 0.00 -1.03 0.00 0.00 54.13 53.32 2kzr s LEU 44 Cb -0.23 -1.80 -0.01 0.00 0.03 0.00 0.00 46.19 44.17 2kzr s LEU 44 CO -0.03 0.37 0.00 0.68 0.23 0.00 0.00 176.35 177.61 2kzr s VAL 45 N -0.84 1.16 0.15 -1.59 -7.23 -1.26 -0.37 120.40 110.42 2kzr s VAL 45 Ca 0.13 -2.00 -0.18 0.00 -1.81 0.00 0.00 61.98 58.12 2kzr s VAL 45 Cb -0.11 -2.17 0.04 0.00 0.56 0.00 0.00 36.38 34.70 2kzr s VAL 45 CO 0.02 0.00 1.69 1.23 -0.31 0.00 0.00 175.10 177.73 2kzr h GLY 46 N 1.36 0.24 -1.13 2.32 0.00 -1.76 -3.42 103.07 100.67 2kzr h GLY 46 Ca -0.44 0.09 -0.50 0.00 0.00 0.00 0.00 47.33 46.48 2kzr h GLY 46 CO 0.74 -0.11 0.40 -2.52 0.00 0.00 0.00 176.54 175.05 2kzr s TYR 47 N -6.21 3.32 -0.71 5.60 -0.85 -1.26 -4.95 117.35 112.29 2kzr s TYR 47 Ca -0.14 1.15 -0.36 0.00 -0.52 0.00 0.00 57.07 57.20 2kzr s TYR 47 Cb 0.13 -2.98 -0.19 0.00 0.38 0.00 0.00 41.96 39.30 2kzr s TYR 47 CO 0.70 -1.14 2.41 -2.30 -1.52 0.00 0.00 175.55 173.70 2kzr n PRO 48 N -3.01 0.15 -1.72 -3.49 -0.02 -1.26 -4.93 135.00 120.72 2kzr n PRO 48 Ca 0.07 0.03 -0.31 0.00 -2.02 0.00 0.00 63.50 61.26 2kzr n PRO 48 Cb 0.56 -1.69 0.03 0.00 -0.02 0.00 0.00 33.50 32.38 2kzr n PRO 48 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 2kzr s PRO 49 N 7.49 3.16 0.00 0.52 0.04 -1.26 -4.98 135.00 139.98 2kzr s PRO 49 Ca 1.25 0.94 0.14 0.00 0.04 0.00 0.00 61.00 63.37 2kzr s PRO 49 Cb -1.26 -2.02 0.45 0.00 0.04 0.00 0.00 34.50 31.71 2kzr s PRO 49 CO 0.55 -0.92 1.35 0.39 0.04 0.00 0.00 177.00 178.41 2kzr n GLU 50 N -2.85 1.77 -2.13 4.56 1.02 -1.26 -4.87 120.64 116.88 2kzr n GLU 50 Ca 0.07 -1.19 -0.19 0.00 -0.02 0.00 0.00 57.16 55.83 2kzr n GLU 50 Cb 0.54 -1.31 -0.03 0.00 -0.02 0.00 0.00 31.44 30.62 2kzr n GLU 50 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2kzr s LEU 52 N -5.20 3.44 -0.16 0.00 2.34 -1.26 -4.95 118.68 112.88 2kzr s LEU 52 Ca 0.00 1.65 -0.11 0.00 0.06 0.00 0.00 54.13 55.73 2kzr s LEU 52 Cb 0.00 -3.36 -0.05 0.00 -0.56 0.00 0.00 46.19 42.23 2kzr s LEU 52 CO 0.00 -2.06 0.20 -0.62 -1.06 0.00 0.00 176.35 172.81 2kzr s ASP 53 N 8.49 6.35 -1.00 1.48 2.15 -1.26 -3.06 116.67 129.82 2kzr s ASP 53 Ca 0.96 0.41 -0.18 0.00 0.43 0.00 0.00 52.55 54.17 2kzr s ASP 53 Cb -0.29 -2.12 0.12 0.00 -0.30 0.00 0.00 42.92 40.34 2kzr s ASP 53 CO 0.33 0.22 1.24 -0.76 -0.17 0.00 0.00 175.17 176.04 2kzr s LEU 54 N -0.02 4.79 -0.07 -1.34 1.02 -1.26 -4.82 118.68 116.98 2kzr s LEU 54 Ca 0.13 -2.13 0.13 0.00 0.02 0.00 0.00 54.13 52.29 2kzr s LEU 54 Cb -0.12 -2.43 0.50 0.00 0.02 0.00 0.00 46.19 44.16 2kzr s LEU 54 CO 0.02 -1.08 1.38 -0.24 0.02 0.00 0.00 176.35 176.45 2kzr n SER 55 N 6.80 3.38 -3.90 2.29 2.88 -1.26 -4.81 113.62 119.00 2kzr n SER 55 Ca 0.28 -2.26 -0.28 0.00 -1.33 0.00 0.00 58.87 55.29 2kzr n SER 55 Cb 0.48 -0.46 -0.17 0.00 -0.75 0.00 0.00 64.21 63.32 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 -0.82 2.55 0.49 -3.46 2.15 -1.26 -5.03 116.67 111.29 2kzr s ASP 56 Ca 0.36 -0.50 0.15 0.00 0.43 0.00 0.00 52.55 52.99 2kzr s ASP 56 Cb 0.22 -0.90 1.18 0.00 -0.30 0.00 0.00 42.92 43.12 2kzr s ASP 56 CO 0.19 -0.15 2.11 0.08 -0.17 0.00 0.00 175.17 177.22 2kzr h ARG 57 N 8.14 0.04 0.00 4.34 0.11 -2.01 -2.91 114.38 122.09 2kzr h ARG 57 Ca -0.27 -0.00 -0.08 0.00 0.10 0.00 0.00 59.98 59.73 2kzr h ARG 57 Cb 1.12 -0.01 -0.01 0.00 1.11 0.00 0.00 29.97 32.18 2kzr h ARG 57 CO 0.41 0.07 -0.46 0.22 0.10 0.00 0.00 179.97 180.30 2kzr h ASP 58 N 0.04 0.00 -2.85 0.08 1.82 -1.99 -3.24 116.42 110.28 2kzr h ASP 58 Ca 0.01 0.00 -0.57 0.00 -0.39 0.00 0.00 57.03 56.08 2kzr h ASP 58 Cb 0.07 0.00 0.08 0.00 0.68 0.00 0.00 39.33 40.17 2kzr h ASP 58 CO 0.00 0.34 0.69 0.00 -1.61 0.00 0.00 179.24 178.67 2kzr n ILE 59 N -3.14 0.98 -4.17 2.25 3.06 -1.10 -4.63 119.36 112.62 2kzr n ILE 59 Ca 0.02 -0.25 -0.27 0.00 -2.50 0.00 0.00 62.75 59.75 2kzr n ILE 59 Cb 0.68 -1.62 -0.05 0.00 0.54 0.00 0.00 39.64 39.19 2kzr n ILE 59 CO 0.00 0.00 0.00 0.42 -2.50 0.00 0.00 176.55 174.47 2kzr s THR 60 N -0.06 1.80 0.43 9.51 -4.23 -1.26 -0.62 115.64 121.22 2kzr s THR 60 Ca 0.67 -1.68 0.35 0.00 -1.18 0.00 0.00 61.69 59.85 2kzr s THR 60 Cb -0.60 -2.48 0.37 0.00 1.34 0.00 0.00 72.50 71.13 2kzr s THR 60 CO 0.49 0.00 2.16 -0.07 -0.54 0.00 0.00 174.62 176.67 2kzr h LEU 61 N 1.14 0.00 -1.67 4.79 3.38 -1.26 -1.45 115.31 120.24 2kzr h LEU 61 Ca -0.41 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.56 2kzr h LEU 61 Cb 1.29 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.04 2kzr h LEU 61 CO 0.66 0.04 0.00 1.23 0.09 0.00 0.00 178.44 180.46 2kzr h GLY 62 N 0.83 0.00 0.04 0.83 0.00 -1.59 -3.15 103.07 100.03 2kzr h GLY 62 Ca -0.00 0.00 -0.41 0.00 0.00 0.00 0.00 47.33 46.92 2kzr h GLY 62 CO 0.01 0.00 -2.39 1.22 0.00 0.00 0.00 176.54 175.37 2kzr n ASP 63 N -2.62 1.97 -4.87 0.19 8.00 -0.56 -5.01 116.55 113.65 2kzr n ASP 63 Ca -0.01 0.15 -0.30 0.00 0.71 0.00 0.00 54.79 55.34 2kzr n ASP 63 Cb 0.14 -0.67 -0.03 0.00 -0.02 0.00 0.00 41.12 40.54 2kzr n ASP 63 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 2kzr s LEU 64 N -7.11 3.82 -0.06 0.64 2.01 -1.14 -4.98 118.68 111.86 2kzr s LEU 64 Ca -0.35 1.15 -0.01 0.00 0.01 0.00 0.00 54.13 54.93 2kzr s LEU 64 Cb 0.11 -4.04 -0.01 0.00 0.01 0.00 0.00 46.19 42.27 2kzr s LEU 64 CO 0.56 -0.41 2.27 -0.81 1.01 0.00 0.00 176.35 178.97 2kzr n PRO 65 N -1.31 1.30 -2.18 1.29 -0.05 -1.26 -4.81 135.00 127.98 2kzr n PRO 65 Ca 0.03 -0.43 -0.42 0.00 -0.05 0.00 0.00 63.50 62.62 2kzr n PRO 65 Cb 0.54 -1.27 -0.02 0.00 -0.05 0.00 0.00 33.50 32.70 2kzr n PRO 65 CO 0.00 0.00 0.00 0.42 -0.05 0.00 0.00 175.50 175.87 2kzr s ILE 66 N -0.23 3.67 0.36 0.52 1.09 -1.26 -4.91 121.20 120.43 2kzr s ILE 66 Ca 0.16 0.65 0.07 0.00 -1.10 0.00 0.00 60.65 60.44 2kzr s ILE 66 Cb 0.09 -3.97 -0.02 0.00 -1.06 0.00 0.00 42.46 37.50 2kzr s ILE 66 CO -0.01 -0.67 0.34 -1.10 -0.10 0.00 0.00 174.94 173.40 2kzr s GLN 67 N 5.47 2.71 -0.56 2.79 -1.52 -1.26 -4.97 119.66 122.32 2kzr s GLN 67 Ca 0.69 -1.33 -0.26 0.00 -1.95 0.00 0.00 55.36 52.50 2kzr s GLN 67 Cb -0.17 -2.49 -0.05 0.00 -0.22 0.00 0.00 33.01 30.08 2kzr s GLN 67 CO 0.31 0.01 2.17 -1.54 -0.25 0.00 0.00 175.29 176.00 2kzr s SER 68 N -4.05 4.78 -0.31 5.90 1.04 -1.26 -2.22 113.70 117.57 2kzr s SER 68 Ca 0.43 0.70 -0.01 0.00 0.48 0.00 0.00 55.95 57.56 2kzr s SER 68 Cb -0.06 -2.52 0.00 0.00 0.10 0.00 0.00 66.02 63.55 2kzr s SER 68 CO 0.27 -2.70 0.12 0.61 0.98 0.00 0.00 173.24 172.52 2kzr n GLY 69 N 5.92 0.44 3.93 7.32 0.00 -1.20 -5.02 105.19 116.59 2kzr n GLY 69 Ca 0.30 -0.60 -0.25 0.00 0.00 0.00 0.00 46.02 45.47 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 -2.94 5.58 -0.71 1.61 2.15 -0.94 -4.68 116.67 116.73 2kzr s ASP 70 Ca 0.06 0.53 -0.22 0.00 0.43 0.00 0.00 52.55 53.36 2kzr s ASP 70 Cb -0.03 -1.56 0.08 0.00 -0.30 0.00 0.00 42.92 41.12 2kzr s ASP 70 CO 0.08 -1.01 0.99 -0.32 -0.17 0.00 0.00 175.17 174.73 2kzr s MET 71 N -4.88 3.19 -0.59 4.34 -2.45 -1.26 -2.04 119.30 115.61 2kzr s MET 71 Ca 0.53 -1.01 -0.17 0.00 -1.25 0.00 0.00 55.69 53.79 2kzr s MET 71 Cb -0.10 -4.36 0.13 0.00 1.25 0.00 0.00 34.83 31.74 2kzr s MET 71 CO 0.43 -1.80 0.61 -0.51 1.05 0.00 0.00 175.02 174.79 2kzr s LEU 72 N 3.79 5.92 -0.66 4.11 2.01 -0.00 -2.05 118.68 131.80 2kzr s LEU 72 Ca 0.24 -1.74 -0.27 0.00 0.01 0.00 0.00 54.13 52.36 2kzr s LEU 72 Cb -0.15 -2.25 0.01 0.00 0.01 0.00 0.00 46.19 43.81 2kzr s LEU 72 CO 0.06 -0.93 1.49 -0.63 1.01 0.00 0.00 176.35 177.35 2kzr s ILE 73 N 1.90 3.62 -0.55 -0.59 1.09 0.50 -0.65 121.20 126.52 2kzr s ILE 73 Ca 0.08 0.40 -0.28 0.00 -1.10 0.00 0.00 60.65 59.75 2kzr s ILE 73 Cb -0.26 -4.50 0.03 0.00 -1.06 0.00 0.00 42.46 36.67 2kzr s ILE 73 CO 0.03 -1.41 1.22 -0.69 -0.10 0.00 0.00 174.94 173.99 2kzr s VAL 74 N 6.86 4.02 0.82 2.92 1.01 0.30 -3.51 120.40 132.82 2kzr s VAL 74 Ca 0.49 0.94 -0.12 0.00 0.00 0.00 0.00 61.98 63.29 2kzr s VAL 74 Cb -0.10 -4.66 0.08 0.00 0.00 0.00 0.00 36.38 31.71 2kzr s VAL 74 CO 0.19 -1.24 1.16 -1.83 0.00 0.00 0.00 175.10 173.37 2kzr s GLU 75 N 4.92 1.90 -0.02 2.72 -1.05 -1.26 -4.31 118.70 121.59 2kzr s GLU 75 Ca 0.46 0.22 0.03 0.00 -0.15 0.00 0.00 54.97 55.53 2kzr s GLU 75 Cb -0.08 -1.93 -0.00 0.00 -0.44 0.00 0.00 34.13 31.68 2kzr s GLU 75 CO 0.27 -1.66 -0.12 -2.00 0.95 0.00 0.00 175.26 172.70 2kzr s GLU 76 N -5.46 1.14 0.37 -4.83 2.12 -1.24 -4.26 118.70 106.55 2kzr s GLU 76 Ca 0.62 -0.41 0.27 0.00 0.36 0.00 0.00 54.97 55.81 2kzr s GLU 76 Cb -0.12 -1.06 1.05 0.00 0.26 0.00 0.00 34.13 34.26 2kzr s GLU 76 CO 0.51 0.19 1.81 0.22 -0.54 0.00 0.00 175.26 177.45 2kzr h ASP 77 N 6.17 0.00 0.00 -1.70 3.58 -1.61 -3.47 116.42 119.40 2kzr h ASP 77 Ca -0.33 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.12 2kzr h ASP 77 Cb 1.17 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.22 2kzr h ASP 77 CO 0.49 0.00 0.00 0.00 -2.88 0.00 0.00 179.24 176.85 2kzr n GLN 78 N -2.61 -0.11 0.02 0.28 1.13 -1.26 -4.81 117.38 110.03 2kzr n GLN 78 Ca 0.02 0.03 0.13 0.00 -1.94 0.00 0.00 57.00 55.24 2kzr n GLN 78 Cb 0.30 -3.42 0.54 0.00 0.11 0.00 0.00 30.24 27.77 2kzr n GLN 78 CO 0.00 0.00 0.00 -2.37 -1.44 0.00 0.00 177.06 173.25 2kzr n THR 79 N -2.07 0.25 -2.36 5.09 5.66 -1.26 -5.00 114.28 114.58 2kzr n THR 79 Ca 0.00 -0.01 -0.01 0.00 -3.05 0.00 0.00 64.05 60.99 2kzr n THR 79 Cb 0.03 -0.60 -0.01 0.00 -1.55 0.00 0.00 70.33 68.20 2kzr n THR 79 CO 0.00 0.00 0.00 0.54 -3.05 0.00 0.00 175.07 172.56 2kzr n ARG 80 N -1.65 -2.70 -2.06 1.09 1.74 -1.26 -4.92 116.66 106.91 2kzr n ARG 80 Ca 0.06 2.26 -0.42 0.00 -0.77 0.00 0.00 57.85 58.98 2kzr n ARG 80 Cb 0.33 -4.15 -0.03 0.00 -1.02 0.00 0.00 32.46 27.59 2kzr n ARG 80 CO 0.00 0.00 0.00 -1.25 -1.52 0.00 0.00 177.63 174.86 2kzr s PRO 81 N -1.11 4.23 -0.20 5.56 0.04 -1.26 -5.00 135.00 137.26 2kzr s PRO 81 Ca -0.04 2.16 -0.22 0.00 0.04 0.00 0.00 61.00 62.95 2kzr s PRO 81 Cb 0.00 -3.62 -0.02 0.00 0.04 0.00 0.00 34.50 30.91 2kzr s PRO 81 CO 0.57 -0.68 0.68 0.15 0.04 0.00 0.00 177.00 177.77 2kzr s LYS 82 N 2.64 4.22 0.33 4.56 3.01 -1.26 -4.92 119.74 128.32 2kzr s LYS 82 Ca 0.69 0.71 0.00 0.00 -1.01 0.00 0.00 55.97 56.37 2kzr s LYS 82 Cb -0.36 -3.59 -0.01 0.00 -1.01 0.00 0.00 37.83 32.86 2kzr s LYS 82 CO 0.29 -0.29 0.39 0.00 0.51 0.00 0.00 175.35 176.26 2kzr s ALA 83 N 2.08 1.08 -0.47 5.17 0.00 -1.26 -5.13 121.76 123.23 2kzr s ALA 83 Ca 0.31 -1.67 0.03 0.00 0.00 0.00 0.00 51.96 50.62 2kzr s ALA 83 Cb -0.16 1.26 0.13 0.00 0.00 0.00 0.00 23.12 24.36 2kzr s ALA 83 CO 0.10 -0.74 0.24 -1.54 0.00 0.00 0.00 175.76 173.82 2kzr s SER 84 N -3.26 3.99 -0.92 0.00 1.04 -1.26 -5.07 113.70 108.23 2kzr s SER 84 Ca 0.34 -2.77 -0.26 0.00 0.48 0.00 0.00 55.95 53.74 2kzr s SER 84 Cb 0.01 -1.33 -0.19 0.00 0.10 0.00 0.00 66.02 64.62 2kzr s SER 84 CO 0.22 -0.26 2.27 -2.65 0.98 0.00 0.00 173.24 173.80 2kzr n PRO 85 N 3.39 0.34 0.00 4.02 -0.02 -1.26 -5.27 135.00 136.19 2kzr n PRO 85 Ca 0.07 -1.21 0.00 0.00 -2.02 0.00 0.00 63.50 60.34 2kzr n PRO 85 Cb 0.34 -3.75 0.00 0.00 -0.02 0.00 0.00 33.50 30.07 2kzr n PRO 85 CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35