#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kzr n ARG 2 N 0.00 2.76 -2.91 -0.99 1.74 -1.26 -4.32 116.66 111.67 2kzr n ARG 2 Ca 0.00 -2.53 -0.41 0.00 -0.77 0.00 0.00 57.85 54.15 2kzr n ARG 2 Cb 0.00 -3.25 -0.04 0.00 -1.02 0.00 0.00 32.46 28.15 2kzr n ARG 2 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 2kzr s VAL 3 N 3.33 4.97 0.11 1.55 1.01 -1.15 -2.77 120.40 127.44 2kzr s VAL 3 Ca 0.48 1.69 -0.19 0.00 0.00 0.00 0.00 61.98 63.96 2kzr s VAL 3 Cb 0.14 -4.15 -0.07 0.00 0.00 0.00 0.00 36.38 32.30 2kzr s VAL 3 CO -0.07 0.20 0.60 -0.13 0.00 0.00 0.00 175.10 175.70 2kzr s ARG 4 N 0.96 4.21 -0.28 2.72 0.52 -0.87 -0.73 118.95 125.48 2kzr s ARG 4 Ca 0.43 0.76 -0.03 0.00 -0.52 0.00 0.00 55.73 56.36 2kzr s ARG 4 Cb -0.19 -3.17 0.09 0.00 0.52 0.00 0.00 34.95 32.21 2kzr s ARG 4 CO 0.22 0.59 0.12 0.00 0.02 0.00 0.00 175.30 176.24 2kzr s LYS 6 N 2.01 3.70 -0.09 0.00 2.47 0.28 -1.03 119.74 127.08 2kzr s LYS 6 Ca 0.08 1.24 -0.04 0.00 -1.56 0.00 0.00 55.97 55.69 2kzr s LYS 6 Cb -0.16 -4.00 0.05 0.00 -1.46 0.00 0.00 37.83 32.25 2kzr s LYS 6 CO -0.31 -1.41 0.18 0.00 0.16 0.00 0.00 175.35 173.98 2kzr s ALA 7 N 5.23 -0.30 -1.14 3.13 0.00 -0.29 -1.12 121.76 127.27 2kzr s ALA 7 Ca 0.64 0.70 -0.07 0.00 0.00 0.00 0.00 51.96 53.23 2kzr s ALA 7 Cb -0.18 -0.75 -0.03 0.00 0.00 0.00 0.00 23.12 22.16 2kzr s ALA 7 CO 0.29 -0.44 0.86 1.63 0.00 0.00 0.00 175.76 178.10 2kzr n LYS 8 N 4.94 -3.15 -1.94 0.00 4.76 -1.26 -3.05 118.16 118.45 2kzr n LYS 8 Ca -0.12 0.72 -0.12 0.00 -2.87 0.00 0.00 58.31 55.91 2kzr n LYS 8 Cb 0.51 -5.31 -0.02 0.00 -1.84 0.00 0.00 35.03 28.37 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 -1.39 0.36 3.47 0.72 0.00 -1.26 -5.00 105.19 102.09 2kzr n GLY 9 Ca -0.15 -0.39 -0.15 0.00 0.00 0.00 0.00 46.02 45.33 2kzr n GLY 9 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2kzr s GLY 10 N -2.58 -0.44 -0.57 -0.02 0.00 -1.17 -5.13 107.32 97.41 2kzr s GLY 10 Ca 0.00 1.39 -0.19 0.00 0.00 0.00 0.00 44.72 45.92 2kzr s GLY 10 CO 0.00 1.13 0.71 -1.59 0.00 0.00 0.00 173.10 173.35 2kzr s THR 11 N -0.33 4.78 -0.34 0.90 2.01 -1.26 -1.14 115.64 120.25 2kzr s THR 11 Ca -0.05 -0.72 -0.21 0.00 0.31 0.00 0.00 61.69 61.02 2kzr s THR 11 Cb -0.03 -4.45 0.00 0.00 0.01 0.00 0.00 72.50 68.04 2kzr s THR 11 CO 0.04 -1.05 0.68 -1.00 -0.69 0.00 0.00 174.62 172.60 2kzr s HIS 12 N 2.84 3.16 -0.60 4.92 4.02 -0.19 -4.83 115.29 124.61 2kzr s HIS 12 Ca 0.14 0.48 -0.25 0.00 1.02 0.00 0.00 55.06 56.45 2kzr s HIS 12 Cb -0.21 -3.18 0.04 0.00 -1.02 0.00 0.00 32.58 28.21 2kzr s HIS 12 CO 0.09 -0.62 1.03 -1.17 1.02 0.00 0.00 174.74 175.09 2kzr s LEU 13 N 2.80 3.93 0.04 0.89 2.96 -1.26 -0.77 118.68 127.27 2kzr s LEU 13 Ca 0.27 -0.40 -0.31 0.00 -0.22 0.00 0.00 54.13 53.47 2kzr s LEU 13 Cb -0.14 -2.78 -0.06 0.00 0.50 0.00 0.00 46.19 43.71 2kzr s LEU 13 CO 0.15 -1.38 1.32 -0.76 -1.32 0.00 0.00 176.35 174.36 2kzr s LEU 14 N 4.34 4.34 0.50 -0.68 2.01 0.10 -4.96 118.68 124.33 2kzr s LEU 14 Ca 0.32 2.12 0.05 0.00 0.01 0.00 0.00 54.13 56.62 2kzr s LEU 14 Cb -0.12 -3.57 0.00 0.00 0.01 0.00 0.00 46.19 42.51 2kzr s LEU 14 CO 0.18 -0.62 0.25 -1.10 1.01 0.00 0.00 176.35 176.07 2kzr s GLN 15 N 1.64 2.24 0.00 1.70 -1.52 -1.26 -2.92 119.66 119.53 2kzr s GLN 15 Ca 0.62 -2.06 0.00 0.00 -1.95 0.00 0.00 55.36 51.97 2kzr s GLN 15 Cb -0.32 -1.93 0.00 0.00 -0.22 0.00 0.00 33.01 30.54 2kzr s GLN 15 CO 0.28 -0.42 0.00 0.41 -0.25 0.00 0.00 175.29 175.31 2kzr n GLY 16 N -1.51 0.55 3.71 3.09 0.00 -1.26 -4.98 105.19 104.79 2kzr n GLY 16 Ca -0.06 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.56 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 0.00 4.32 0.00 0.99 1.43 -1.26 -4.96 118.68 119.20 2kzr s LEU 17 Ca 0.00 1.33 0.04 0.00 -1.03 0.00 0.00 54.13 54.47 2kzr s LEU 17 Cb 0.00 -3.24 0.04 0.00 0.03 0.00 0.00 46.19 43.02 2kzr s LEU 17 CO 0.00 -0.19 0.32 -1.20 0.23 0.00 0.00 176.35 175.51 2kzr n SER 18 N 3.95 2.07 0.20 2.29 7.64 -1.26 -0.03 113.62 128.49 2kzr n SER 18 Ca 0.01 -2.24 0.04 0.00 1.01 0.00 0.00 58.87 57.69 2kzr n SER 18 Cb 0.51 -0.07 0.43 0.00 -1.01 0.00 0.00 64.21 64.07 2kzr n SER 18 CO 0.00 0.00 0.00 0.77 -3.01 0.00 0.00 175.04 172.80 2kzr h SER 19 N 0.39 0.00 -0.69 6.43 4.64 -2.01 -3.24 113.55 119.07 2kzr h SER 19 Ca -0.23 0.00 -0.17 0.00 -0.47 0.00 0.00 61.79 60.92 2kzr h SER 19 Cb 0.86 0.00 -0.10 0.00 -0.31 0.00 0.00 62.40 62.85 2kzr h SER 19 CO 0.35 0.30 0.21 0.54 -0.87 0.00 0.00 176.83 177.36 2kzr n ARG 20 N -4.13 3.88 -2.74 4.77 5.12 -1.26 -4.07 116.66 118.24 2kzr n ARG 20 Ca -0.02 -2.96 -0.42 0.00 -1.93 0.00 0.00 57.85 52.52 2kzr n ARG 20 Cb 0.35 -2.20 -0.03 0.00 -1.16 0.00 0.00 32.46 29.42 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 -2.84 4.85 0.58 0.55 2.01 -1.23 -4.92 115.64 114.65 2kzr s THR 21 Ca 0.53 2.01 0.08 0.00 0.31 0.00 0.00 61.69 64.62 2kzr s THR 21 Cb 0.42 -4.30 0.09 0.00 0.01 0.00 0.00 72.50 68.72 2kzr s THR 21 CO 0.14 0.18 0.80 -0.13 -0.69 0.00 0.00 174.62 174.92 2kzr s ARG 22 N 0.91 2.26 0.12 4.92 0.52 -1.26 -1.74 118.95 124.68 2kzr s ARG 22 Ca 0.50 -1.53 -0.33 0.00 -0.52 0.00 0.00 55.73 53.85 2kzr s ARG 22 Cb -0.21 -2.61 -0.11 0.00 0.52 0.00 0.00 34.95 32.54 2kzr s ARG 22 CO 0.27 -0.90 1.56 1.25 0.02 0.00 0.00 175.30 177.50 2kzr h LEU 23 N 0.11 -1.70 -2.13 2.53 6.46 -0.84 0.88 115.31 120.62 2kzr h LEU 23 Ca -0.31 0.21 -0.01 0.00 -0.12 0.00 0.00 57.88 57.64 2kzr h LEU 23 Cb 1.28 0.68 -0.00 0.00 -0.73 0.00 0.00 40.66 41.89 2kzr h LEU 23 CO 0.41 -0.46 -0.06 0.08 -0.62 0.00 0.00 178.44 177.79 2kzr h ARG 24 N -0.53 0.00 0.00 1.25 0.11 -1.87 -0.41 114.38 112.92 2kzr h ARG 24 Ca 0.05 0.00 -0.30 0.00 0.10 0.00 0.00 59.98 59.83 2kzr h ARG 24 Cb 0.66 0.00 -0.05 0.00 1.11 0.00 0.00 29.97 31.69 2kzr h ARG 24 CO -0.47 0.06 -1.80 0.39 0.10 0.00 0.00 179.97 178.24 2kzr n GLU 25 N -4.01 0.64 -0.01 0.08 1.02 -0.95 -2.82 120.64 114.59 2kzr n GLU 25 Ca -0.03 0.26 -0.00 0.00 -0.02 0.00 0.00 57.16 57.37 2kzr n GLU 25 Cb 0.14 -1.76 -0.00 0.00 -0.02 0.00 0.00 31.44 29.81 2kzr n GLU 25 CO 0.00 0.00 0.00 1.25 1.18 0.00 0.00 177.13 179.56 2kzr h LEU 26 N 0.00 -0.00 -1.09 -4.62 7.12 -0.30 -3.15 115.31 113.27 2kzr h LEU 26 Ca -0.32 0.00 0.00 0.00 0.13 0.00 0.00 57.88 57.69 2kzr h LEU 26 Cb 2.05 0.00 0.00 0.00 -0.53 0.00 0.00 40.66 42.18 2kzr h LEU 26 CO 0.07 0.13 0.00 1.56 -0.13 0.00 0.00 178.44 180.08 2kzr h GLN 27 N -0.28 0.00 -0.21 1.25 4.20 -1.32 -1.87 115.11 116.88 2kzr h GLN 27 Ca -0.00 0.00 -0.20 0.00 0.06 0.00 0.00 58.65 58.51 2kzr h GLN 27 Cb 0.00 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.79 2kzr h GLN 27 CO 0.00 0.00 -0.67 0.78 -0.67 0.00 0.00 178.83 178.27 2kzr h GLY 28 N 1.84 0.89 1.51 3.46 0.00 -1.63 -1.80 103.07 107.34 2kzr h GLY 28 Ca 0.00 -1.15 -0.20 0.00 0.00 0.00 0.00 47.33 45.98 2kzr h GLY 28 CO 0.00 1.03 -0.77 1.46 0.00 0.00 0.00 176.54 178.26 2kzr h GLN 29 N 0.58 0.47 -0.61 4.80 4.20 -1.32 -2.23 115.11 121.00 2kzr h GLN 29 Ca -0.02 -0.40 0.02 0.00 0.06 0.00 0.00 58.65 58.31 2kzr h GLN 29 Cb 1.29 0.09 -0.04 0.00 0.30 0.00 0.00 27.48 29.12 2kzr h GLN 29 CO 0.14 1.04 0.38 0.82 -0.67 0.00 0.00 178.83 180.54 2kzr h ILE 30 N 0.31 1.10 0.00 2.54 2.04 -1.43 0.01 117.51 122.08 2kzr h ILE 30 Ca -0.04 -0.26 -0.02 0.00 1.00 0.00 0.00 64.86 65.54 2kzr h ILE 30 Cb 1.36 0.27 -0.00 0.00 -0.74 0.00 0.00 36.82 37.71 2kzr h ILE 30 CO 0.14 0.14 -0.09 0.00 0.00 0.00 0.00 178.15 178.34 2kzr h ALA 31 N 1.25 1.36 0.00 1.87 0.00 -1.19 -0.64 119.26 121.91 2kzr h ALA 31 Ca 0.24 -0.08 -0.24 0.00 0.00 0.00 0.00 54.91 54.83 2kzr h ALA 31 Cb -0.02 -0.01 -0.04 0.00 0.00 0.00 0.00 17.79 17.72 2kzr h ALA 31 CO -0.08 0.11 -1.38 0.00 0.00 0.00 0.00 179.25 177.90 2kzr h ALA 32 N 1.91 0.62 0.00 0.00 0.00 -0.72 -3.19 119.26 117.89 2kzr h ALA 32 Ca -0.00 -1.15 0.00 0.00 0.00 0.00 0.00 54.91 53.76 2kzr h ALA 32 Cb 0.25 0.23 0.00 0.00 0.00 0.00 0.00 17.79 18.26 2kzr h ALA 32 CO 0.01 1.34 -0.01 0.82 0.00 0.00 0.00 179.25 181.40 2kzr h ILE 33 N 0.00 0.00 -0.01 0.00 2.04 -0.53 -3.42 117.51 115.60 2kzr h ILE 33 Ca -0.17 -0.03 0.00 0.00 1.00 0.00 0.00 64.86 65.66 2kzr h ILE 33 Cb 1.84 0.00 0.00 0.00 -0.74 0.00 0.00 36.82 37.92 2kzr h ILE 33 CO 0.09 0.00 -0.23 1.07 0.00 0.00 0.00 178.15 179.08 2kzr n THR 34 N -2.30 0.00 -0.98 -0.27 5.66 -0.29 -4.94 114.28 111.16 2kzr n THR 34 Ca -0.00 -0.10 0.00 0.00 -3.05 0.00 0.00 64.05 60.90 2kzr n THR 34 Cb 0.01 0.23 0.00 0.00 -1.55 0.00 0.00 70.33 69.01 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 1.34 0.60 3.57 1.09 0.00 -1.08 -4.99 105.19 105.72 2kzr n GLY 35 Ca 0.12 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.71 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 -2.52 4.24 0.49 -0.61 -1.09 -1.26 -4.90 121.20 115.56 2kzr s ILE 36 Ca 0.00 0.79 -0.23 0.00 -2.23 0.00 0.00 60.65 58.98 2kzr s ILE 36 Cb 0.00 -4.60 -0.08 0.00 -1.58 0.00 0.00 42.46 36.21 2kzr s ILE 36 CO 0.00 -1.11 1.12 0.00 -1.23 0.00 0.00 174.94 173.72 2kzr n ALA 37 N 7.81 0.70 -0.09 9.38 0.00 -1.26 -3.30 120.51 133.75 2kzr n ALA 37 Ca 0.07 0.16 0.18 0.00 0.00 0.00 0.00 53.44 53.86 2kzr n ALA 37 Cb 0.49 -2.18 0.60 0.00 0.00 0.00 0.00 19.45 18.36 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 1.38 0.19 -0.87 0.00 0.13 -1.92 0.50 132.00 131.42 2kzr h PRO 38 Ca -0.47 -0.01 -0.14 0.00 -0.87 0.00 0.00 66.00 64.50 2kzr h PRO 38 Cb 1.33 -0.04 -0.09 0.00 0.13 0.00 0.00 31.00 32.33 2kzr h PRO 38 CO 0.56 0.13 0.18 0.41 -0.23 0.00 0.00 178.00 179.05 2kzr n GLY 39 N -1.59 2.90 0.00 1.56 0.00 -1.26 -3.40 105.19 103.40 2kzr n GLY 39 Ca 0.13 -0.60 0.00 0.00 0.00 0.00 0.00 46.02 45.55 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 -0.02 0.59 -4.03 1.61 7.64 0.16 -4.73 113.62 114.84 2kzr n SER 40 Ca 0.25 -1.19 -0.12 0.00 1.01 0.00 0.00 58.87 58.83 2kzr n SER 40 Cb 1.00 0.00 -0.11 0.00 -1.01 0.00 0.00 64.21 64.08 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 -0.19 0.46 0.00 1.43 -2.07 -1.21 -1.11 119.66 116.97 2kzr s GLN 41 Ca 0.00 -0.69 0.00 0.00 -1.82 0.00 0.00 55.36 52.85 2kzr s GLN 41 Cb 0.00 -0.19 0.00 0.00 -1.09 0.00 0.00 33.01 31.73 2kzr s GLN 41 CO 0.00 0.03 0.00 0.54 -1.32 0.00 0.00 175.29 174.54 2kzr n ARG 42 N 1.58 2.74 -3.97 9.60 1.74 -1.26 -4.92 116.66 122.17 2kzr n ARG 42 Ca -0.23 0.00 -0.31 0.00 -0.77 0.00 0.00 57.85 56.55 2kzr n ARG 42 Cb 0.55 0.00 -0.15 0.00 -1.02 0.00 0.00 32.46 31.84 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 -0.24 1.84 0.43 0.55 -1.09 -1.26 -4.60 121.20 116.81 2kzr s ILE 43 Ca 0.00 -1.69 0.05 0.00 -2.23 0.00 0.00 60.65 56.78 2kzr s ILE 43 Cb 0.00 -2.17 -0.06 0.00 -1.58 0.00 0.00 42.46 38.65 2kzr s ILE 43 CO 0.00 -0.31 0.02 -0.76 -1.23 0.00 0.00 174.94 172.66 2kzr s LEU 44 N 1.20 2.63 0.08 2.97 1.02 -1.18 -4.54 118.68 120.86 2kzr s LEU 44 Ca 0.01 -1.45 -0.01 0.00 0.02 0.00 0.00 54.13 52.69 2kzr s LEU 44 Cb -0.19 -0.78 -0.04 0.00 0.02 0.00 0.00 46.19 45.20 2kzr s LEU 44 CO -0.09 -0.58 0.00 0.68 0.02 0.00 0.00 176.35 176.38 2kzr s VAL 45 N -2.83 0.19 0.14 -1.59 -7.23 -1.26 -1.23 120.40 106.59 2kzr s VAL 45 Ca 0.27 -1.85 -0.18 0.00 -1.81 0.00 0.00 61.98 58.41 2kzr s VAL 45 Cb 0.08 -1.72 -0.02 0.00 0.56 0.00 0.00 36.38 35.27 2kzr s VAL 45 CO 0.14 -0.79 1.77 1.23 -0.31 0.00 0.00 175.10 177.13 2kzr h GLY 46 N 3.04 0.37 -1.67 2.32 0.00 -1.83 -3.39 103.07 101.91 2kzr h GLY 46 Ca -0.34 -0.09 -0.50 0.00 0.00 0.00 0.00 47.33 46.39 2kzr h GLY 46 CO 0.63 0.07 0.37 -2.52 0.00 0.00 0.00 176.54 175.10 2kzr s TYR 47 N -6.17 2.86 -0.66 5.60 1.13 -1.26 -4.87 117.35 113.98 2kzr s TYR 47 Ca -0.13 1.52 -0.22 0.00 -1.41 0.00 0.00 57.07 56.83 2kzr s TYR 47 Cb 0.10 -3.05 -0.15 0.00 -1.10 0.00 0.00 41.96 37.76 2kzr s TYR 47 CO 0.70 -1.34 1.81 -2.30 -2.51 0.00 0.00 175.55 171.91 2kzr n PRO 48 N -2.30 0.00 -2.12 -3.49 -0.02 -1.26 -4.90 135.00 120.91 2kzr n PRO 48 Ca 0.09 0.00 -0.31 0.00 -2.02 0.00 0.00 63.50 61.26 2kzr n PRO 48 Cb 0.53 -1.02 -0.00 0.00 -0.02 0.00 0.00 33.50 32.98 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 5.98 3.67 -0.80 0.52 0.04 -1.26 -4.99 135.00 138.16 2kzr s PRO 49 Ca 0.92 0.70 -0.13 0.00 0.04 0.00 0.00 61.00 62.53 2kzr s PRO 49 Cb -0.87 -2.14 0.21 0.00 0.04 0.00 0.00 34.50 31.74 2kzr s PRO 49 CO 0.34 -0.44 0.73 -1.21 0.04 0.00 0.00 177.00 176.46 2kzr s GLU 50 N -4.85 3.50 -0.73 4.56 0.41 -1.26 -5.01 118.70 115.31 2kzr s GLU 50 Ca 0.55 -2.45 -0.14 0.00 -0.41 0.00 0.00 54.97 52.51 2kzr s GLU 50 Cb -0.11 -4.36 -0.20 0.00 -1.78 0.00 0.00 34.13 27.68 2kzr s GLU 50 CO 0.47 -1.28 1.95 0.00 -0.49 0.00 0.00 175.26 175.91 2kzr s LEU 52 N 6.20 3.79 0.01 0.00 0.05 -1.26 -5.12 118.68 122.35 2kzr s LEU 52 Ca 0.85 -0.26 0.03 0.00 0.05 0.00 0.00 54.13 54.80 2kzr s LEU 52 Cb -0.37 -2.73 -0.03 0.00 -2.05 0.00 0.00 46.19 41.01 2kzr s LEU 52 CO 0.27 -0.62 -0.07 1.51 -0.55 0.00 0.00 176.35 176.89 2kzr s ASP 53 N -4.26 4.60 -0.69 1.48 -4.77 -1.26 -4.53 116.67 107.24 2kzr s ASP 53 Ca 0.50 -0.16 -0.11 0.00 -3.30 0.00 0.00 52.55 49.48 2kzr s ASP 53 Cb -0.10 -1.06 0.18 0.00 -1.09 0.00 0.00 42.92 40.85 2kzr s ASP 53 CO 0.33 0.28 0.59 -0.76 0.70 0.00 0.00 175.17 176.30 2kzr s LEU 54 N -1.46 6.18 -0.15 2.11 1.02 -1.26 -4.91 118.68 120.22 2kzr s LEU 54 Ca 0.17 -2.47 -0.22 0.00 0.02 0.00 0.00 54.13 51.64 2kzr s LEU 54 Cb -0.11 -2.10 -0.24 0.00 0.02 0.00 0.00 46.19 43.75 2kzr s LEU 54 CO 0.08 -0.59 0.51 -1.28 0.02 0.00 0.00 176.35 175.09 2kzr h SER 55 N 7.89 0.15 -2.86 2.29 0.87 -2.02 -3.45 113.55 116.42 2kzr h SER 55 Ca -0.03 -0.78 -0.55 0.00 -1.23 0.00 0.00 61.79 59.20 2kzr h SER 55 Cb 1.04 -0.05 -0.05 0.00 -0.44 0.00 0.00 62.40 62.90 2kzr h SER 55 CO 0.80 1.40 1.16 -0.62 -0.53 0.00 0.00 176.83 179.04 2kzr s ASP 56 N -6.74 6.05 0.60 6.23 -1.08 -1.26 -4.89 116.67 115.58 2kzr s ASP 56 Ca -0.23 0.71 0.30 0.00 -0.52 0.00 0.00 52.55 52.81 2kzr s ASP 56 Cb 0.03 -2.54 1.66 0.00 -1.46 0.00 0.00 42.92 40.61 2kzr s ASP 56 CO 0.69 -1.69 2.05 0.08 0.52 0.00 0.00 175.17 176.81 2kzr h ARG 57 N 11.80 0.00 -0.01 4.34 -0.00 -2.01 -1.92 114.38 126.59 2kzr h ARG 57 Ca -0.28 0.00 0.00 0.00 -0.00 0.00 0.00 59.98 59.70 2kzr h ARG 57 Cb 1.12 0.00 0.00 0.00 -0.00 0.00 0.00 29.97 31.09 2kzr h ARG 57 CO 1.12 0.00 -0.53 -3.47 -0.00 0.00 0.00 179.97 177.09 2kzr n ASP 58 N -3.62 1.18 -4.76 0.08 2.03 -1.26 -3.49 116.55 106.72 2kzr n ASP 58 Ca 0.02 -0.95 -0.41 0.00 0.52 0.00 0.00 54.79 53.97 2kzr n ASP 58 Cb 0.39 0.44 -0.02 0.00 -0.72 0.00 0.00 41.12 41.21 2kzr n ASP 58 CO 0.00 0.00 0.00 -0.51 -1.92 0.00 0.00 177.20 174.77 2kzr s ILE 59 N -2.71 2.39 0.38 5.18 2.07 -0.72 -4.62 121.20 123.18 2kzr s ILE 59 Ca 0.16 0.35 0.08 0.00 -1.41 0.00 0.00 60.65 59.83 2kzr s ILE 59 Cb 0.18 -3.22 -0.04 0.00 0.13 0.00 0.00 42.46 39.51 2kzr s ILE 59 CO 0.65 0.07 0.25 -0.89 -1.91 0.00 0.00 174.94 173.10 2kzr s THR 60 N -0.41 2.78 0.59 4.00 2.01 -1.26 -0.44 115.64 122.91 2kzr s THR 60 Ca 0.57 -1.53 0.29 0.00 0.31 0.00 0.00 61.69 61.33 2kzr s THR 60 Cb -0.44 -3.02 0.35 0.00 0.01 0.00 0.00 72.50 69.41 2kzr s THR 60 CO 0.50 -0.07 2.24 -0.07 -0.69 0.00 0.00 174.62 176.52 2kzr h LEU 61 N 1.30 0.00 -1.59 4.42 3.38 -1.48 -1.38 115.31 119.96 2kzr h LEU 61 Ca -0.43 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 57.50 2kzr h LEU 61 Cb 1.26 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.00 2kzr h LEU 61 CO 0.62 0.00 -0.22 1.23 0.09 0.00 0.00 178.44 180.17 2kzr h GLY 62 N 0.00 0.00 0.42 0.83 0.00 -1.87 -3.15 103.07 99.30 2kzr h GLY 62 Ca 0.01 0.00 -0.19 0.00 0.00 0.00 0.00 47.33 47.15 2kzr h GLY 62 CO -0.00 0.00 -0.95 -0.55 0.00 0.00 0.00 176.54 175.04 2kzr h ASP 63 N 0.00 0.29 -4.36 0.19 3.32 -1.65 -3.48 116.42 110.73 2kzr h ASP 63 Ca -0.00 -0.87 -0.51 0.00 0.02 0.00 0.00 57.03 55.67 2kzr h ASP 63 Cb 0.40 -0.09 0.07 0.00 0.22 0.00 0.00 39.33 39.92 2kzr h ASP 63 CO 0.03 1.42 0.41 -0.76 -1.72 0.00 0.00 179.24 178.62 2kzr s LEU 64 N -7.81 3.21 0.00 1.55 2.01 -1.04 -4.97 118.68 111.62 2kzr s LEU 64 Ca -0.19 1.46 0.00 0.00 0.01 0.00 0.00 54.13 55.41 2kzr s LEU 64 Cb 0.02 -4.47 0.00 0.00 0.01 0.00 0.00 46.19 41.75 2kzr s LEU 64 CO 0.75 -0.99 1.35 -2.65 1.01 0.00 0.00 176.35 175.82 2kzr n PRO 65 N -2.83 0.78 -2.99 1.29 -0.02 -1.26 -4.82 135.00 125.15 2kzr n PRO 65 Ca 0.06 0.00 -0.42 0.00 -2.02 0.00 0.00 63.50 61.12 2kzr n PRO 65 Cb 0.54 -1.11 -0.05 0.00 -0.02 0.00 0.00 33.50 32.85 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 0.38 4.76 0.25 4.25 1.09 -1.26 -4.94 121.20 125.74 2kzr s ILE 66 Ca 0.00 0.78 0.11 0.00 -1.10 0.00 0.00 60.65 60.44 2kzr s ILE 66 Cb 0.00 -4.19 -0.05 0.00 -1.06 0.00 0.00 42.46 37.17 2kzr s ILE 66 CO 0.00 -0.43 -0.17 -1.10 -0.10 0.00 0.00 174.94 173.15 2kzr s GLN 67 N 3.02 1.78 -0.33 2.79 -1.52 -1.26 -4.78 119.66 119.36 2kzr s GLN 67 Ca 0.30 -1.63 -0.28 0.00 -1.95 0.00 0.00 55.36 51.80 2kzr s GLN 67 Cb -0.13 -1.88 -0.02 0.00 -0.22 0.00 0.00 33.01 30.76 2kzr s GLN 67 CO 0.17 0.36 1.83 -1.54 -0.25 0.00 0.00 175.29 175.86 2kzr s SER 68 N -3.33 5.84 0.00 5.90 1.04 -1.26 -1.95 113.70 119.94 2kzr s SER 68 Ca 0.28 1.31 0.00 0.00 0.48 0.00 0.00 55.95 58.02 2kzr s SER 68 Cb -0.06 -2.52 0.00 0.00 0.10 0.00 0.00 66.02 63.53 2kzr s SER 68 CO 0.15 -1.75 0.00 0.61 0.98 0.00 0.00 173.24 173.23 2kzr n GLY 69 N 5.45 0.91 3.81 7.32 0.00 -1.12 -4.94 105.19 116.62 2kzr n GLY 69 Ca 0.23 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.94 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 -3.02 5.23 -0.58 1.61 2.15 -0.82 -4.46 116.67 116.78 2kzr s ASP 70 Ca 0.00 1.69 -0.21 0.00 0.43 0.00 0.00 52.55 54.47 2kzr s ASP 70 Cb 0.00 -2.51 0.07 0.00 -0.30 0.00 0.00 42.92 40.19 2kzr s ASP 70 CO 0.00 -1.54 0.80 -0.32 -0.17 0.00 0.00 175.17 173.94 2kzr s MET 71 N -4.88 3.13 -0.15 4.34 -2.45 -1.26 -2.05 119.30 115.98 2kzr s MET 71 Ca 0.60 -0.90 -0.08 0.00 -1.25 0.00 0.00 55.69 54.05 2kzr s MET 71 Cb -0.15 -4.18 -0.04 0.00 1.25 0.00 0.00 34.83 31.71 2kzr s MET 71 CO 0.53 -1.54 0.12 -0.51 1.05 0.00 0.00 175.02 174.67 2kzr s LEU 72 N 3.29 4.25 -0.36 4.11 2.01 -0.54 -2.24 118.68 129.20 2kzr s LEU 72 Ca 0.18 0.34 -0.13 0.00 0.01 0.00 0.00 54.13 54.54 2kzr s LEU 72 Cb -0.19 -2.06 -0.01 0.00 0.01 0.00 0.00 46.19 43.95 2kzr s LEU 72 CO 0.11 0.31 0.25 -0.63 1.01 0.00 0.00 176.35 177.40 2kzr s ILE 73 N -0.44 5.19 -0.44 -0.59 1.09 -0.37 -0.55 121.20 125.09 2kzr s ILE 73 Ca 0.12 -0.37 -0.19 0.00 -1.10 0.00 0.00 60.65 59.10 2kzr s ILE 73 Cb -0.12 -3.73 0.03 0.00 -1.06 0.00 0.00 42.46 37.58 2kzr s ILE 73 CO 0.02 -0.09 0.56 -0.69 -0.10 0.00 0.00 174.94 174.63 2kzr s VAL 74 N 1.69 4.94 0.56 2.92 1.01 -0.28 -3.13 120.40 128.11 2kzr s VAL 74 Ca 0.05 -0.14 -0.09 0.00 0.00 0.00 0.00 61.98 61.80 2kzr s VAL 74 Cb -0.18 -4.15 -0.04 0.00 0.00 0.00 0.00 36.38 32.01 2kzr s VAL 74 CO 0.10 -0.55 0.93 -1.83 0.00 0.00 0.00 175.10 173.74 2kzr s GLU 75 N 2.52 3.59 -0.20 2.72 -1.05 -1.26 -4.14 118.70 120.89 2kzr s GLU 75 Ca 0.17 0.53 -0.00 0.00 -0.15 0.00 0.00 54.97 55.53 2kzr s GLU 75 Cb -0.16 -2.21 0.02 0.00 -0.44 0.00 0.00 34.13 31.34 2kzr s GLU 75 CO 0.16 -0.40 -0.14 -2.00 0.95 0.00 0.00 175.26 173.83 2kzr s GLU 76 N -4.93 3.04 0.01 -4.83 2.12 -1.25 -4.01 118.70 108.84 2kzr s GLU 76 Ca 0.52 -0.82 0.17 0.00 0.36 0.00 0.00 54.97 55.20 2kzr s GLU 76 Cb -0.11 -2.74 -0.18 0.00 0.26 0.00 0.00 34.13 31.36 2kzr s GLU 76 CO 0.49 -0.24 0.68 -3.47 -0.54 0.00 0.00 175.26 172.17 2kzr n ASP 77 N 4.66 0.66 -0.22 -1.70 2.03 -0.26 -4.99 116.55 116.73 2kzr n ASP 77 Ca -0.19 0.29 -0.03 0.00 0.52 0.00 0.00 54.79 55.38 2kzr n ASP 77 Cb 0.50 0.43 -0.01 0.00 -0.72 0.00 0.00 41.12 41.31 2kzr n ASP 77 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2kzr n GLN 78 N -2.82 -0.97 0.19 -0.67 6.02 -1.26 -4.90 117.38 112.96 2kzr n GLN 78 Ca -0.13 0.43 0.04 0.00 -0.01 0.00 0.00 57.00 57.32 2kzr n GLN 78 Cb 0.87 -4.26 0.39 0.00 1.02 0.00 0.00 30.24 28.26 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 0.00 1.18 -5.39 5.09 1.03 -1.92 -3.48 112.91 109.41 2kzr h THR 79 Ca -0.06 -1.23 -0.03 0.00 -0.01 0.00 0.00 66.41 65.09 2kzr h THR 79 Cb 0.57 1.67 0.00 0.00 -1.07 0.00 0.00 68.15 69.33 2kzr h THR 79 CO 0.09 0.34 -0.38 0.54 -0.01 0.00 0.00 175.52 176.10 2kzr n ARG 80 N -4.02 -2.01 -3.35 0.00 1.74 -1.26 -5.02 116.66 102.74 2kzr n ARG 80 Ca -0.02 1.87 -0.33 0.00 -0.77 0.00 0.00 57.85 58.60 2kzr n ARG 80 Cb 0.40 -5.51 -0.06 0.00 -1.02 0.00 0.00 32.46 26.28 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 -2.78 3.90 -0.42 5.56 0.04 -1.26 -5.04 135.00 134.99 2kzr s PRO 81 Ca 0.17 0.41 -0.29 0.00 0.04 0.00 0.00 61.00 61.34 2kzr s PRO 81 Cb -0.04 -2.73 0.00 0.00 0.04 0.00 0.00 34.50 31.77 2kzr s PRO 81 CO 0.77 0.36 1.49 0.21 0.04 0.00 0.00 177.00 179.87 2kzr s LYS 82 N -2.51 3.47 0.02 4.56 2.36 -1.26 -4.95 119.74 121.43 2kzr s LYS 82 Ca 0.45 0.94 0.02 0.00 -2.55 0.00 0.00 55.97 54.83 2kzr s LYS 82 Cb -0.13 -4.08 -0.01 0.00 -1.05 0.00 0.00 37.83 32.56 2kzr s LYS 82 CO 0.20 -1.70 -0.07 0.00 1.55 0.00 0.00 175.35 175.32 2kzr s ALA 83 N 5.88 0.60 -0.52 3.13 0.00 -1.26 -5.12 121.76 124.47 2kzr s ALA 83 Ca 0.63 -0.49 -0.21 0.00 0.00 0.00 0.00 51.96 51.90 2kzr s ALA 83 Cb -0.15 -0.08 0.05 0.00 0.00 0.00 0.00 23.12 22.95 2kzr s ALA 83 CO 0.32 0.09 0.74 -1.54 0.00 0.00 0.00 175.76 175.36 2kzr s SER 84 N -0.73 6.27 0.06 0.00 1.04 -1.26 -4.96 113.70 114.13 2kzr s SER 84 Ca -0.02 -0.66 -0.18 0.00 0.48 0.00 0.00 55.95 55.57 2kzr s SER 84 Cb -0.05 -2.34 -0.12 0.00 0.10 0.00 0.00 66.02 63.60 2kzr s SER 84 CO 0.00 -1.00 1.36 1.55 0.98 0.00 0.00 173.24 176.14 2kzr h PRO 85 N 9.09 0.51 0.00 4.02 0.13 -1.94 -3.51 132.00 140.30 2kzr h PRO 85 Ca -0.27 -0.28 0.00 0.00 -0.87 0.00 0.00 66.00 64.58 2kzr h PRO 85 Cb 1.09 0.02 0.00 0.00 0.13 0.00 0.00 31.00 32.23 2kzr h PRO 85 CO 1.00 0.87 0.00 0.43 -0.23 0.00 0.00 178.00 180.07