#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 3.39 0.00 -0.99 0.52 -1.26 -4.15 118.95 116.46 2kzr s ARG 2 Ca 0.00 -0.78 0.03 0.00 -0.52 0.00 0.00 55.73 54.46 2kzr s ARG 2 Cb 0.00 -4.77 -0.03 0.00 0.52 0.00 0.00 34.95 30.67 2kzr s ARG 2 CO 0.00 -2.13 -0.04 0.08 0.02 0.00 0.00 175.30 173.22 2kzr s VAL 3 N 5.08 3.82 -0.09 3.52 1.01 -1.21 -2.15 120.40 130.38 2kzr s VAL 3 Ca 0.39 -0.71 -0.06 0.00 0.00 0.00 0.00 61.98 61.60 2kzr s VAL 3 Cb -0.05 -2.67 -0.04 0.00 0.00 0.00 0.00 36.38 33.62 2kzr s VAL 3 CO 0.02 0.39 0.15 -0.13 0.00 0.00 0.00 175.10 175.53 2kzr s ARG 4 N -1.45 3.44 -0.23 2.72 0.52 -1.06 -1.16 118.95 121.73 2kzr s ARG 4 Ca 0.18 -0.19 0.02 0.00 -0.52 0.00 0.00 55.73 55.21 2kzr s ARG 4 Cb -0.11 -3.16 0.05 0.00 0.52 0.00 0.00 34.95 32.25 2kzr s ARG 4 CO 0.08 0.75 -0.10 0.00 0.02 0.00 0.00 175.30 176.05 2kzr s LYS 6 N 1.29 3.49 0.00 0.00 2.47 -0.28 -1.37 119.74 125.34 2kzr s LYS 6 Ca -0.04 0.17 0.00 0.00 -1.56 0.00 0.00 55.97 54.54 2kzr s LYS 6 Cb -0.18 -4.02 0.00 0.00 -1.46 0.00 0.00 37.83 32.17 2kzr s LYS 6 CO -0.07 -1.65 0.00 0.00 0.16 0.00 0.00 175.35 173.79 2kzr n ALA 7 N 8.28 0.00 -0.35 3.13 0.00 -0.47 -0.87 120.51 130.24 2kzr n ALA 7 Ca 0.07 0.00 0.11 0.00 0.00 0.00 0.00 53.44 53.63 2kzr n ALA 7 Cb 0.49 0.00 0.30 0.00 0.00 0.00 0.00 19.45 20.23 2kzr n ALA 7 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 2kzr h LYS 8 N 0.00 0.76 -0.97 0.00 1.79 -1.91 -0.78 116.57 115.47 2kzr h LYS 8 Ca 0.00 -0.05 -0.33 0.00 -2.18 0.00 0.00 60.65 58.09 2kzr h LYS 8 Cb 0.00 -0.17 -0.20 0.00 -1.58 0.00 0.00 32.23 30.28 2kzr h LYS 8 CO 0.00 0.50 0.42 0.41 -1.08 0.00 0.00 179.45 179.71 2kzr n GLY 9 N -1.33 3.67 7.00 3.86 0.00 -1.26 -5.04 105.19 112.08 2kzr n GLY 9 Ca 0.22 -0.77 0.00 0.00 0.00 0.00 0.00 46.02 45.47 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 -0.56 -0.12 3.59 -0.02 0.00 -0.30 -4.73 105.19 103.06 2kzr n GLY 10 Ca 0.41 -1.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.00 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 4.51 0.57 2.61 2.01 -1.26 -1.37 115.64 122.72 2kzr s THR 11 Ca 0.00 1.09 0.08 0.00 0.31 0.00 0.00 61.69 63.16 2kzr s THR 11 Cb 0.00 -4.39 0.07 0.00 0.01 0.00 0.00 72.50 68.19 2kzr s THR 11 CO 0.00 -0.67 0.62 -1.00 -0.69 0.00 0.00 174.62 172.88 2kzr s HIS 12 N 3.66 1.41 -0.06 4.92 3.76 -0.47 -4.90 115.29 123.61 2kzr s HIS 12 Ca 0.39 -0.81 0.02 0.00 -0.15 0.00 0.00 55.06 54.51 2kzr s HIS 12 Cb -0.11 -2.05 0.02 0.00 1.11 0.00 0.00 32.58 31.55 2kzr s HIS 12 CO 0.22 -0.88 -0.09 -1.17 -0.85 0.00 0.00 174.74 171.97 2kzr s LEU 13 N -4.50 1.52 -0.30 0.89 1.98 -1.26 -1.56 118.68 115.45 2kzr s LEU 13 Ca 0.48 -0.24 -0.12 0.00 -2.89 0.00 0.00 54.13 51.36 2kzr s LEU 13 Cb -0.04 -0.70 -0.04 0.00 0.66 0.00 0.00 46.19 46.07 2kzr s LEU 13 CO 0.30 -0.00 0.21 -0.76 -1.89 0.00 0.00 176.35 174.21 2kzr s LEU 14 N 0.79 4.21 0.29 -0.68 1.02 -0.31 -4.98 118.68 119.02 2kzr s LEU 14 Ca -0.13 -0.17 -0.01 0.00 0.02 0.00 0.00 54.13 53.84 2kzr s LEU 14 Cb -0.15 -2.13 -0.04 0.00 0.02 0.00 0.00 46.19 43.89 2kzr s LEU 14 CO 0.02 -0.12 0.51 -1.10 0.02 0.00 0.00 176.35 175.68 2kzr s GLN 15 N 1.75 3.54 0.00 1.70 -1.52 -1.26 -3.28 119.66 120.59 2kzr s GLN 15 Ca 0.07 -0.23 0.00 0.00 -1.95 0.00 0.00 55.36 53.24 2kzr s GLN 15 Cb -0.17 -2.71 0.00 0.00 -0.22 0.00 0.00 33.01 29.92 2kzr s GLN 15 CO 0.11 0.24 0.00 0.41 -0.25 0.00 0.00 175.29 175.80 2kzr n GLY 16 N -1.22 1.21 3.65 3.09 0.00 -1.26 -5.03 105.19 105.63 2kzr n GLY 16 Ca -0.04 0.00 -0.43 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 4.17 0.45 0.99 1.43 -1.26 -4.90 118.68 119.56 2kzr s LEU 17 Ca 0.00 1.92 0.06 0.00 -1.03 0.00 0.00 54.13 55.08 2kzr s LEU 17 Cb 0.00 -3.53 -0.03 0.00 0.03 0.00 0.00 46.19 42.66 2kzr s LEU 17 CO 0.00 -0.98 0.20 -0.44 0.23 0.00 0.00 176.35 175.36 2kzr s SER 18 N 3.23 4.42 0.38 2.29 0.01 -1.26 0.28 113.70 123.05 2kzr s SER 18 Ca 0.68 -1.20 0.06 0.00 1.31 0.00 0.00 55.95 56.80 2kzr s SER 18 Cb -0.28 -0.15 0.78 0.00 0.21 0.00 0.00 66.02 66.58 2kzr s SER 18 CO 0.26 -0.70 2.01 0.77 0.41 0.00 0.00 173.24 175.99 2kzr h SER 19 N 1.28 0.59 -0.22 2.44 4.64 -2.01 -2.55 113.55 117.72 2kzr h SER 19 Ca -0.42 -0.01 0.00 0.00 -0.47 0.00 0.00 61.79 60.89 2kzr h SER 19 Cb 1.27 -0.14 0.00 0.00 -0.31 0.00 0.00 62.40 63.22 2kzr h SER 19 CO 0.68 0.41 0.00 -2.11 -0.87 0.00 0.00 176.83 174.94 2kzr n ARG 20 N -4.46 2.15 -1.57 4.77 1.85 -1.26 -4.34 116.66 113.79 2kzr n ARG 20 Ca 0.06 -1.71 -0.47 0.00 -1.00 0.00 0.00 57.85 54.73 2kzr n ARG 20 Cb 0.12 -1.46 -0.05 0.00 -1.05 0.00 0.00 32.46 30.02 2kzr n ARG 20 CO 0.00 0.00 0.00 2.41 -0.01 0.00 0.00 177.63 180.03 2kzr n THR 21 N 0.97 0.36 -1.35 8.89 -1.04 -0.96 -4.79 114.28 116.36 2kzr n THR 21 Ca 0.17 -0.28 -0.29 0.00 -2.04 0.00 0.00 64.05 61.61 2kzr n THR 21 Cb 0.49 -2.02 0.18 0.00 -1.82 0.00 0.00 70.33 67.16 2kzr n THR 21 CO 0.00 0.00 0.00 -0.13 -0.64 0.00 0.00 175.07 174.30 2kzr s ARG 22 N 5.61 0.34 0.13 -2.82 0.52 -1.26 -2.08 118.95 119.39 2kzr s ARG 22 Ca 1.02 0.23 -0.19 0.00 -0.52 0.00 0.00 55.73 56.26 2kzr s ARG 22 Cb -0.63 -1.75 -0.04 0.00 0.52 0.00 0.00 34.95 33.05 2kzr s ARG 22 CO 0.45 -2.73 1.77 1.25 0.02 0.00 0.00 175.30 176.07 2kzr h LEU 23 N -1.88 0.19 -2.25 2.53 6.46 -0.39 -1.32 115.31 118.65 2kzr h LEU 23 Ca -0.50 0.01 -0.01 0.00 -0.12 0.00 0.00 57.88 57.25 2kzr h LEU 23 Cb 1.32 -0.03 -0.00 0.00 -0.73 0.00 0.00 40.66 41.21 2kzr h LEU 23 CO 0.53 0.15 -0.05 0.08 -0.62 0.00 0.00 178.44 178.53 2kzr h ARG 24 N 0.26 0.00 0.02 1.25 -0.00 -1.76 -0.04 114.38 114.11 2kzr h ARG 24 Ca 0.09 0.00 -0.00 0.00 -0.00 0.00 0.00 59.98 60.07 2kzr h ARG 24 Cb 0.01 0.00 0.00 0.00 -0.00 0.00 0.00 29.97 29.98 2kzr h ARG 24 CO -0.06 0.05 -0.01 0.93 -0.00 0.00 0.00 179.97 180.88 2kzr h GLU 25 N 0.00 -0.03 0.49 0.08 4.39 -1.78 -3.25 114.58 114.49 2kzr h GLU 25 Ca -0.00 0.00 -0.02 0.00 0.34 0.00 0.00 59.36 59.68 2kzr h GLU 25 Cb 0.13 0.01 0.00 0.00 -0.10 0.00 0.00 28.75 28.79 2kzr h GLU 25 CO 0.01 0.63 -0.24 1.25 -1.16 0.00 0.00 179.01 179.51 2kzr h LEU 26 N -0.96 -0.56 -1.58 1.33 7.12 -0.75 -1.61 115.31 118.30 2kzr h LEU 26 Ca -0.00 -0.03 0.06 0.00 0.13 0.00 0.00 57.88 58.04 2kzr h LEU 26 Cb 0.67 0.14 -0.03 0.00 -0.53 0.00 0.00 40.66 40.91 2kzr h LEU 26 CO 0.00 -0.32 0.37 1.56 -0.13 0.00 0.00 178.44 179.92 2kzr h GLN 27 N -0.76 0.50 -0.19 1.25 1.08 -1.24 -0.78 115.11 114.96 2kzr h GLN 27 Ca -0.07 -0.03 -0.11 0.00 -1.45 0.00 0.00 58.65 56.99 2kzr h GLN 27 Cb 0.55 -0.11 -0.01 0.00 -0.05 0.00 0.00 27.48 27.86 2kzr h GLN 27 CO 0.11 0.33 -0.37 0.78 -0.95 0.00 0.00 178.83 178.73 2kzr h GLY 28 N 0.51 0.46 1.27 3.46 0.00 -1.51 -2.30 103.07 104.96 2kzr h GLY 28 Ca 0.24 -0.43 -0.27 0.00 0.00 0.00 0.00 47.33 46.87 2kzr h GLY 28 CO -0.07 0.39 -1.09 1.46 0.00 0.00 0.00 176.54 177.23 2kzr h GLN 29 N 0.36 0.64 -0.65 4.80 4.20 -0.35 -2.92 115.11 121.18 2kzr h GLN 29 Ca 0.04 -0.74 0.06 0.00 0.06 0.00 0.00 58.65 58.07 2kzr h GLN 29 Cb 0.81 0.22 -0.05 0.00 0.30 0.00 0.00 27.48 28.76 2kzr h GLN 29 CO 0.07 1.31 0.36 0.82 -0.67 0.00 0.00 178.83 180.72 2kzr h ILE 30 N 0.34 0.97 0.00 2.54 2.04 -1.13 0.17 117.51 122.44 2kzr h ILE 30 Ca -0.14 -0.23 -0.02 0.00 1.00 0.00 0.00 64.86 65.47 2kzr h ILE 30 Cb 1.75 0.24 -0.00 0.00 -0.74 0.00 0.00 36.82 38.07 2kzr h ILE 30 CO 0.21 0.12 -0.09 0.00 0.00 0.00 0.00 178.15 178.39 2kzr h ALA 31 N 1.34 1.27 0.00 1.87 0.00 -1.37 -0.42 119.26 121.96 2kzr h ALA 31 Ca 0.29 -0.08 -0.24 0.00 0.00 0.00 0.00 54.91 54.88 2kzr h ALA 31 Cb 0.18 -0.01 -0.04 0.00 0.00 0.00 0.00 17.79 17.91 2kzr h ALA 31 CO -0.18 0.11 -1.56 0.00 0.00 0.00 0.00 179.25 177.62 2kzr h ALA 32 N 1.91 0.72 0.00 0.00 0.00 -1.04 -3.15 119.26 117.70 2kzr h ALA 32 Ca -0.00 -1.21 -0.24 0.00 0.00 0.00 0.00 54.91 53.45 2kzr h ALA 32 Cb 0.28 0.39 -0.04 0.00 0.00 0.00 0.00 17.79 18.42 2kzr h ALA 32 CO 0.01 1.32 -1.38 -0.89 0.00 0.00 0.00 179.25 178.31 2kzr n ILE 33 N -3.00 1.52 0.20 0.00 2.08 0.50 -4.61 119.36 116.04 2kzr n ILE 33 Ca -0.13 -0.05 0.02 0.00 0.56 0.00 0.00 62.75 63.14 2kzr n ILE 33 Cb 0.97 -2.06 -0.01 0.00 -0.75 0.00 0.00 39.64 37.79 2kzr n ILE 33 CO 0.00 0.00 0.00 1.07 0.56 0.00 0.00 176.55 178.18 2kzr n THR 34 N -4.42 0.00 0.00 1.39 5.66 -0.23 -4.95 114.28 111.73 2kzr n THR 34 Ca -0.33 -0.44 0.00 0.00 -3.05 0.00 0.00 64.05 60.23 2kzr n THR 34 Cb 0.67 1.04 0.00 0.00 -1.55 0.00 0.00 70.33 70.49 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 0.76 1.19 3.64 1.09 0.00 -0.82 -4.83 105.19 106.22 2kzr n GLY 35 Ca 0.02 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.61 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 -2.37 4.69 0.57 -0.61 -1.09 -1.25 -3.33 121.20 117.81 2kzr s ILE 36 Ca 0.00 1.69 -0.20 0.00 -2.23 0.00 0.00 60.65 59.91 2kzr s ILE 36 Cb 0.00 -4.26 -0.04 0.00 -1.58 0.00 0.00 42.46 36.58 2kzr s ILE 36 CO 0.00 -0.25 1.23 0.00 -1.23 0.00 0.00 174.94 174.69 2kzr s ALA 37 N 3.19 2.63 0.29 9.38 0.00 -1.26 -3.17 121.76 132.83 2kzr s ALA 37 Ca 0.40 1.06 0.04 0.00 0.00 0.00 0.00 51.96 53.47 2kzr s ALA 37 Cb -0.14 -3.47 0.71 0.00 0.00 0.00 0.00 23.12 20.22 2kzr s ALA 37 CO 0.10 -1.16 1.75 -1.00 0.00 0.00 0.00 175.76 175.46 2kzr h PRO 38 N 1.10 0.63 -0.97 0.00 0.13 -1.86 0.36 132.00 131.40 2kzr h PRO 38 Ca -0.50 -0.04 -0.12 0.00 -0.87 0.00 0.00 66.00 64.47 2kzr h PRO 38 Cb 1.29 -0.14 -0.07 0.00 0.13 0.00 0.00 31.00 32.21 2kzr h PRO 38 CO 0.56 0.42 0.16 0.41 -0.23 0.00 0.00 178.00 179.31 2kzr n GLY 39 N -1.33 2.58 0.15 1.56 0.00 -1.26 -3.19 105.19 103.70 2kzr n GLY 39 Ca 0.22 -0.33 0.00 0.00 0.00 0.00 0.00 46.02 45.91 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 0.04 0.00 -3.61 1.61 7.64 0.11 -4.69 113.62 114.71 2kzr n SER 40 Ca 0.16 -1.20 -0.16 0.00 1.01 0.00 0.00 58.87 58.69 2kzr n SER 40 Cb 0.79 -0.04 -0.07 0.00 -1.01 0.00 0.00 64.21 63.88 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 0.00 0.92 0.40 1.43 1.03 -1.15 -0.53 119.66 121.76 2kzr s GLN 41 Ca 0.00 -0.00 0.04 0.00 0.04 0.00 0.00 55.36 55.43 2kzr s GLN 41 Cb 0.00 0.43 -0.04 0.00 0.03 0.00 0.00 33.01 33.42 2kzr s GLN 41 CO 0.00 -0.29 0.06 1.03 -2.54 0.00 0.00 175.29 173.55 2kzr s ARG 42 N -1.52 1.90 -0.31 9.60 3.00 -1.26 -4.87 118.95 125.49 2kzr s ARG 42 Ca -0.11 -2.13 -0.08 0.00 0.00 0.00 0.00 55.73 53.41 2kzr s ARG 42 Cb -0.02 -1.02 0.01 0.00 0.00 0.00 0.00 34.95 33.92 2kzr s ARG 42 CO 0.06 -0.30 0.12 0.42 0.00 0.00 0.00 175.30 175.59 2kzr s ILE 43 N -3.10 4.22 0.36 1.52 -1.09 -1.26 -4.06 121.20 117.79 2kzr s ILE 43 Ca 0.25 -0.65 0.09 0.00 -2.23 0.00 0.00 60.65 58.11 2kzr s ILE 43 Cb 0.05 -3.20 -0.07 0.00 -1.58 0.00 0.00 42.46 37.67 2kzr s ILE 43 CO 0.13 0.03 -0.05 -0.76 -1.23 0.00 0.00 174.94 173.05 2kzr s LEU 44 N 1.54 2.80 0.19 2.97 2.01 -0.69 -3.47 118.68 124.04 2kzr s LEU 44 Ca 0.03 -1.22 0.06 0.00 0.01 0.00 0.00 54.13 53.00 2kzr s LEU 44 Cb -0.17 -1.02 -0.05 0.00 0.01 0.00 0.00 46.19 44.96 2kzr s LEU 44 CO 0.04 -0.28 -0.10 0.68 1.01 0.00 0.00 176.35 177.70 2kzr s VAL 45 N -2.63 1.38 0.14 -1.59 -7.23 -1.26 -0.84 120.40 108.37 2kzr s VAL 45 Ca 0.34 -2.11 -0.14 0.00 -1.81 0.00 0.00 61.98 58.25 2kzr s VAL 45 Cb 0.04 -2.04 0.01 0.00 0.56 0.00 0.00 36.38 34.95 2kzr s VAL 45 CO 0.17 -0.59 1.64 1.23 -0.31 0.00 0.00 175.10 177.24 2kzr h GLY 46 N 2.62 0.79 -1.16 2.32 0.00 -1.81 -3.41 103.07 102.43 2kzr h GLY 46 Ca -0.38 -0.50 -0.49 0.00 0.00 0.00 0.00 47.33 45.96 2kzr h GLY 46 CO 0.63 0.47 0.32 -2.52 0.00 0.00 0.00 176.54 175.44 2kzr s TYR 47 N -5.28 2.70 -0.25 5.60 1.13 -1.26 -4.94 117.35 115.05 2kzr s TYR 47 Ca -0.13 1.29 -0.35 0.00 -1.41 0.00 0.00 57.07 56.47 2kzr s TYR 47 Cb 0.11 -3.08 -0.12 0.00 -1.10 0.00 0.00 41.96 37.78 2kzr s TYR 47 CO 0.79 -1.85 2.03 -0.35 -2.51 0.00 0.00 175.55 173.66 2kzr n PRO 48 N -3.51 1.51 -2.41 -3.49 -0.04 -1.26 -5.00 135.00 120.79 2kzr n PRO 48 Ca 0.07 0.49 -0.25 0.00 -0.04 0.00 0.00 63.50 63.77 2kzr n PRO 48 Cb 0.55 -2.54 0.14 0.00 -0.04 0.00 0.00 33.50 31.61 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 5.18 1.30 -0.08 0.54 0.05 -1.26 -4.97 135.00 135.75 2kzr s PRO 49 Ca 1.02 -0.97 0.12 0.00 0.05 0.00 0.00 61.00 61.22 2kzr s PRO 49 Cb -0.79 -2.19 0.19 0.00 0.05 0.00 0.00 34.50 31.76 2kzr s PRO 49 CO 0.51 -1.78 1.10 0.39 0.05 0.00 0.00 177.00 177.27 2kzr n GLU 50 N -3.13 0.83 -2.91 4.56 1.02 -1.26 -5.01 120.64 114.75 2kzr n GLU 50 Ca 0.16 -2.02 -0.10 0.00 -0.02 0.00 0.00 57.16 55.19 2kzr n GLU 50 Cb 0.60 -1.14 0.01 0.00 -0.02 0.00 0.00 31.44 30.89 2kzr n GLU 50 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2kzr n LEU 52 N -0.03 2.65 -4.56 0.00 4.77 -1.23 -4.90 117.00 113.71 2kzr n LEU 52 Ca 0.07 1.11 -0.42 0.00 -0.03 0.00 0.00 56.01 56.73 2kzr n LEU 52 Cb 0.39 -1.36 -0.03 0.00 -2.33 0.00 0.00 43.42 40.10 2kzr n LEU 52 CO 0.47 -0.57 0.94 -0.62 -1.33 0.00 0.00 177.39 176.28 2kzr s ASP 53 N 0.64 6.41 -1.00 -1.43 2.15 -1.26 -4.58 116.67 117.60 2kzr s ASP 53 Ca 0.78 -0.07 -0.05 0.00 0.43 0.00 0.00 52.55 53.63 2kzr s ASP 53 Cb -0.75 -2.50 0.25 0.00 -0.30 0.00 0.00 42.92 39.62 2kzr s ASP 53 CO 0.43 -1.36 0.94 -0.76 -0.17 0.00 0.00 175.17 174.24 2kzr s LEU 54 N 4.51 5.95 -0.20 -1.34 1.02 -1.26 -4.79 118.68 122.57 2kzr s LEU 54 Ca 0.38 -3.65 0.09 0.00 0.02 0.00 0.00 54.13 50.98 2kzr s LEU 54 Cb -0.10 -2.06 -0.19 0.00 0.02 0.00 0.00 46.19 43.87 2kzr s LEU 54 CO 0.23 -0.24 -0.05 -1.54 0.02 0.00 0.00 176.35 174.77 2kzr n SER 55 N 2.54 1.37 -3.15 2.29 3.41 -1.26 -5.04 113.62 113.78 2kzr n SER 55 Ca 0.22 -0.05 -0.16 0.00 -0.26 0.00 0.00 58.87 58.62 2kzr n SER 55 Cb 0.38 0.36 0.11 0.00 -0.26 0.00 0.00 64.21 64.80 2kzr n SER 55 CO 0.00 0.00 0.00 -0.67 -0.16 0.00 0.00 175.04 174.21 2kzr n ASP 56 N -2.87 0.21 0.00 4.04 2.03 -1.26 -5.07 116.55 113.63 2kzr n ASP 56 Ca -0.33 -1.35 0.00 0.00 0.52 0.00 0.00 54.79 53.63 2kzr n ASP 56 Cb 1.01 -0.53 0.00 0.00 -0.72 0.00 0.00 41.12 40.87 2kzr n ASP 56 CO 0.00 0.00 0.00 -2.11 -1.92 0.00 0.00 177.20 173.17 2kzr n ARG 57 N -2.48 1.39 0.20 -0.67 1.85 -1.26 -4.79 116.66 110.90 2kzr n ARG 57 Ca 0.09 0.00 0.12 0.00 -1.00 0.00 0.00 57.85 57.06 2kzr n ARG 57 Cb 0.33 -0.70 0.16 0.00 -1.05 0.00 0.00 32.46 31.21 2kzr n ARG 57 CO 0.00 0.00 0.00 -0.44 -0.01 0.00 0.00 177.63 177.18 2kzr h ASP 58 N 0.00 0.00 -2.02 2.89 3.32 -1.97 -2.36 116.42 116.28 2kzr h ASP 58 Ca 0.00 -0.00 -0.62 0.00 0.02 0.00 0.00 57.03 56.42 2kzr h ASP 58 Cb 0.39 0.00 0.03 0.00 0.22 0.00 0.00 39.33 39.97 2kzr h ASP 58 CO 0.00 0.00 0.96 0.00 -1.72 0.00 0.00 179.24 178.48 2kzr n ILE 59 N -2.98 0.36 -2.84 0.35 3.06 -1.26 -4.51 119.36 111.55 2kzr n ILE 59 Ca 0.04 -0.06 -0.20 0.00 -2.50 0.00 0.00 62.75 60.02 2kzr n ILE 59 Cb 0.52 -1.65 0.09 0.00 0.54 0.00 0.00 39.64 39.14 2kzr n ILE 59 CO 0.00 0.00 0.00 0.35 -2.50 0.00 0.00 176.55 174.40 2kzr n THR 60 N 4.46 0.00 0.36 9.51 -2.24 -1.26 -0.66 114.28 124.45 2kzr n THR 60 Ca 0.21 -1.71 0.13 0.00 -2.27 0.00 0.00 64.05 60.41 2kzr n THR 60 Cb 0.27 -0.71 0.54 0.00 -2.10 0.00 0.00 70.33 68.33 2kzr n THR 60 CO 0.00 0.00 0.00 -0.07 -0.57 0.00 0.00 175.07 174.43 2kzr h LEU 61 N 0.00 0.00 -1.22 3.22 3.38 -1.62 -1.82 115.31 117.25 2kzr h LEU 61 Ca -0.29 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.68 2kzr h LEU 61 Cb 1.19 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.94 2kzr h LEU 61 CO 0.36 0.00 0.00 1.23 0.09 0.00 0.00 178.44 180.12 2kzr h GLY 62 N 1.99 0.00 0.00 0.83 0.00 -1.88 -3.35 103.07 100.66 2kzr h GLY 62 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 2kzr h GLY 62 CO 0.00 0.00 -0.67 1.22 0.00 0.00 0.00 176.54 177.09 2kzr n ASP 63 N -2.74 1.32 -4.64 0.19 8.00 -0.72 -4.90 116.55 113.06 2kzr n ASP 63 Ca 0.01 0.22 -0.43 0.00 0.71 0.00 0.00 54.79 55.31 2kzr n ASP 63 Cb 0.26 -0.65 -0.02 0.00 -0.02 0.00 0.00 41.12 40.69 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 -7.00 4.02 -0.75 0.64 2.01 -0.95 -4.91 118.68 111.75 2kzr s LEU 64 Ca -0.19 1.74 -0.22 0.00 0.01 0.00 0.00 54.13 55.47 2kzr s LEU 64 Cb 0.03 -3.53 -0.20 0.00 0.01 0.00 0.00 46.19 42.49 2kzr s LEU 64 CO 0.29 -1.11 1.81 -2.65 1.01 0.00 0.00 176.35 175.69 2kzr n PRO 65 N 7.39 0.06 -3.97 1.29 -0.02 -1.26 -4.53 135.00 133.96 2kzr n PRO 65 Ca 0.18 -1.27 -0.35 0.00 -2.02 0.00 0.00 63.50 60.04 2kzr n PRO 65 Cb 0.45 -3.17 -0.13 0.00 -0.02 0.00 0.00 33.50 30.62 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 12.79 3.63 0.36 4.25 1.09 -1.25 -4.96 121.20 137.11 2kzr s ILE 66 Ca 0.63 -0.41 0.09 0.00 -1.10 0.00 0.00 60.65 59.85 2kzr s ILE 66 Cb -0.02 -2.65 -0.07 0.00 -1.06 0.00 0.00 42.46 38.66 2kzr s ILE 66 CO 0.16 0.42 -0.06 -1.10 -0.10 0.00 0.00 174.94 174.27 2kzr s GLN 67 N 1.32 1.88 -0.66 2.79 -0.21 -1.26 -4.86 119.66 118.67 2kzr s GLN 67 Ca 0.04 -1.96 -0.26 0.00 0.02 0.00 0.00 55.36 53.20 2kzr s GLN 67 Cb -0.14 -1.72 -0.07 0.00 1.00 0.00 0.00 33.01 32.08 2kzr s GLN 67 CO -0.01 0.09 2.22 -1.12 -2.12 0.00 0.00 175.29 174.35 2kzr s SER 68 N -3.65 4.58 0.00 5.90 0.01 -1.26 -1.79 113.70 117.48 2kzr s SER 68 Ca 0.33 0.38 0.00 0.00 1.31 0.00 0.00 55.95 57.98 2kzr s SER 68 Cb 0.04 -2.53 0.00 0.00 0.21 0.00 0.00 66.02 63.74 2kzr s SER 68 CO 0.17 -3.01 0.00 0.61 0.41 0.00 0.00 173.24 171.42 2kzr n GLY 69 N 6.28 0.92 3.91 3.44 0.00 -0.92 -4.95 105.19 113.87 2kzr n GLY 69 Ca 0.36 -0.59 -0.27 0.00 0.00 0.00 0.00 46.02 45.52 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 -2.65 6.20 -0.56 1.61 2.15 -0.74 -4.80 116.67 117.88 2kzr s ASP 70 Ca 0.00 0.87 -0.18 0.00 0.43 0.00 0.00 52.55 53.67 2kzr s ASP 70 Cb 0.00 -2.18 0.11 0.00 -0.30 0.00 0.00 42.92 40.55 2kzr s ASP 70 CO 0.00 -0.60 0.60 -0.32 -0.17 0.00 0.00 175.17 174.68 2kzr s MET 71 N -4.73 3.03 -0.34 4.34 -2.45 -1.26 -2.56 119.30 115.33 2kzr s MET 71 Ca 0.47 -1.41 -0.10 0.00 -1.25 0.00 0.00 55.69 53.40 2kzr s MET 71 Cb -0.10 -4.25 0.01 0.00 1.25 0.00 0.00 34.83 31.74 2kzr s MET 71 CO 0.44 -1.40 0.17 -0.51 1.05 0.00 0.00 175.02 174.77 2kzr s LEU 72 N 2.23 4.38 -0.37 4.11 2.01 -0.72 -2.05 118.68 128.28 2kzr s LEU 72 Ca 0.08 -0.79 -0.28 0.00 0.01 0.00 0.00 54.13 53.16 2kzr s LEU 72 Cb -0.26 -2.00 0.02 0.00 0.01 0.00 0.00 46.19 43.97 2kzr s LEU 72 CO 0.06 -0.29 1.02 -0.63 1.01 0.00 0.00 176.35 177.52 2kzr s ILE 73 N 1.57 4.49 -0.33 -0.59 1.09 -0.02 -1.13 121.20 126.28 2kzr s ILE 73 Ca 0.03 1.42 -0.14 0.00 -1.10 0.00 0.00 60.65 60.85 2kzr s ILE 73 Cb -0.18 -4.41 -0.02 0.00 -1.06 0.00 0.00 42.46 36.79 2kzr s ILE 73 CO 0.06 -0.59 0.33 -0.69 -0.10 0.00 0.00 174.94 173.95 2kzr s VAL 74 N 3.71 5.20 0.88 2.92 1.01 -0.05 -1.70 120.40 132.37 2kzr s VAL 74 Ca 0.43 0.04 -0.09 0.00 0.00 0.00 0.00 61.98 62.36 2kzr s VAL 74 Cb -0.11 -3.78 0.19 0.00 0.00 0.00 0.00 36.38 32.68 2kzr s VAL 74 CO 0.19 -0.04 1.20 -1.83 0.00 0.00 0.00 175.10 174.63 2kzr s GLU 75 N 1.95 0.89 -0.24 2.72 -1.05 -1.26 -3.95 118.70 117.76 2kzr s GLU 75 Ca 0.11 -0.88 -0.01 0.00 -0.15 0.00 0.00 54.97 54.03 2kzr s GLU 75 Cb -0.17 -2.06 0.07 0.00 -0.44 0.00 0.00 34.13 31.54 2kzr s GLU 75 CO 0.11 -2.12 0.04 -2.00 0.95 0.00 0.00 175.26 172.24 2kzr s GLU 76 N -5.60 0.86 0.20 -4.83 2.12 -1.26 -4.44 118.70 105.76 2kzr s GLU 76 Ca 0.73 -0.76 0.20 0.00 0.36 0.00 0.00 54.97 55.50 2kzr s GLU 76 Cb -0.03 -2.16 0.88 0.00 0.26 0.00 0.00 34.13 33.08 2kzr s GLU 76 CO 0.50 -0.75 1.61 -3.47 -0.54 0.00 0.00 175.26 172.61 2kzr n ASP 77 N 4.91 0.48 -2.25 -1.70 2.03 0.31 -4.92 116.55 115.41 2kzr n ASP 77 Ca -0.07 0.64 -0.16 0.00 0.52 0.00 0.00 54.79 55.72 2kzr n ASP 77 Cb 0.45 -0.73 0.03 0.00 -0.72 0.00 0.00 41.12 40.15 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 -2.05 -3.89 -0.92 -0.67 6.02 -1.26 -4.92 117.38 109.68 2kzr n GLN 78 Ca 0.02 0.61 -0.16 0.00 -0.01 0.00 0.00 57.00 57.45 2kzr n GLN 78 Cb 0.17 -4.86 0.02 0.00 1.02 0.00 0.00 30.24 26.59 2kzr n GLN 78 CO 0.00 0.00 0.00 2.41 -1.01 0.00 0.00 177.06 178.46 2kzr n THR 79 N -4.14 2.78 -3.12 5.09 -1.04 -1.26 -4.79 114.28 107.80 2kzr n THR 79 Ca -0.06 -1.70 -0.16 0.00 -2.04 0.00 0.00 64.05 60.09 2kzr n THR 79 Cb 0.57 -1.38 0.02 0.00 -1.82 0.00 0.00 70.33 67.71 2kzr n THR 79 CO 0.00 0.00 0.00 0.54 -0.64 0.00 0.00 175.07 174.97 2kzr n ARG 80 N 0.51 -2.05 -0.40 -2.82 5.12 -1.26 -4.93 116.66 110.83 2kzr n ARG 80 Ca 0.30 1.75 -0.20 0.00 -1.93 0.00 0.00 57.85 57.77 2kzr n ARG 80 Cb 0.58 -4.51 0.18 0.00 -1.16 0.00 0.00 32.46 27.54 2kzr n ARG 80 CO 0.00 0.00 0.00 -2.30 -1.93 0.00 0.00 177.63 173.40 2kzr n PRO 81 N -0.67 -3.21 0.00 5.56 -0.02 -1.26 -4.18 135.00 131.21 2kzr n PRO 81 Ca 0.01 -1.04 0.00 0.00 -2.02 0.00 0.00 63.50 60.45 2kzr n PRO 81 Cb 0.54 -1.16 0.00 0.00 -0.02 0.00 0.00 33.50 32.86 2kzr n PRO 81 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11 2kzr n LYS 82 N -4.12 0.00 -2.19 -0.52 4.76 -1.21 -4.86 118.16 110.01 2kzr n LYS 82 Ca 0.09 0.00 -0.31 0.00 -2.87 0.00 0.00 58.31 55.22 2kzr n LYS 82 Cb 0.39 -1.00 -0.05 0.00 -1.84 0.00 0.00 35.03 32.53 2kzr n LYS 82 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 2kzr s ALA 83 N -0.43 2.09 -0.26 7.82 0.00 -1.26 -4.93 121.76 124.79 2kzr s ALA 83 Ca 0.00 -2.11 0.02 0.00 0.00 0.00 0.00 51.96 49.87 2kzr s ALA 83 Cb 0.00 -4.63 0.07 0.00 0.00 0.00 0.00 23.12 18.56 2kzr s ALA 83 CO 0.00 -4.65 -0.04 0.45 0.00 0.00 0.00 175.76 171.51 2kzr s SER 84 N 6.41 4.15 0.34 0.00 0.15 -1.26 -4.75 113.70 118.73 2kzr s SER 84 Ca 0.64 -1.41 -0.28 0.00 0.70 0.00 0.00 55.95 55.61 2kzr s SER 84 Cb -0.02 -1.31 -0.09 0.00 -1.71 0.00 0.00 66.02 62.89 2kzr s SER 84 CO 0.06 -0.26 1.16 -2.84 1.20 0.00 0.00 173.24 172.57 2kzr s PRO 85 N 1.27 4.36 0.00 5.44 0.02 -1.26 -5.07 135.00 139.76 2kzr s PRO 85 Ca -0.03 1.89 0.00 0.00 0.02 0.00 0.00 61.00 62.88 2kzr s PRO 85 Cb -0.19 -2.96 0.00 0.00 0.02 0.00 0.00 34.50 31.37 2kzr s PRO 85 CO -0.07 -0.06 0.05 -1.13 -0.33 0.00 0.00 177.00 175.45