#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 2.35 0.03 -0.99 0.52 -1.26 -3.03 118.95 116.57 2kzr s ARG 2 Ca 0.00 -2.75 -0.20 0.00 -0.52 0.00 0.00 55.73 52.27 2kzr s ARG 2 Cb 0.00 -3.52 -0.06 0.00 0.52 0.00 0.00 34.95 31.89 2kzr s ARG 2 CO 0.00 -1.17 0.57 0.08 0.02 0.00 0.00 175.30 174.80 2kzr s VAL 3 N -0.47 4.85 0.08 3.52 1.01 -1.01 -1.46 120.40 126.92 2kzr s VAL 3 Ca 0.19 1.20 -0.22 0.00 0.00 0.00 0.00 61.98 63.15 2kzr s VAL 3 Cb -0.20 -3.90 -0.07 0.00 0.00 0.00 0.00 36.38 32.22 2kzr s VAL 3 CO -0.04 0.49 0.64 -0.13 0.00 0.00 0.00 175.10 176.06 2kzr s ARG 4 N -0.63 4.34 -0.30 2.72 0.52 -0.78 -1.18 118.95 123.64 2kzr s ARG 4 Ca 0.29 0.88 -0.01 0.00 -0.52 0.00 0.00 55.73 56.37 2kzr s ARG 4 Cb -0.19 -3.27 0.10 0.00 0.52 0.00 0.00 34.95 32.11 2kzr s ARG 4 CO 0.17 0.55 0.09 0.00 0.02 0.00 0.00 175.30 176.13 2kzr s LYS 6 N 1.63 4.16 0.00 0.00 2.47 -0.02 -0.33 119.74 127.65 2kzr s LYS 6 Ca 0.09 1.66 0.00 0.00 -1.56 0.00 0.00 55.97 56.16 2kzr s LYS 6 Cb -0.17 -2.65 0.00 0.00 -1.46 0.00 0.00 37.83 33.55 2kzr s LYS 6 CO -0.24 -0.18 0.00 0.00 0.16 0.00 0.00 175.35 175.09 2kzr n ALA 7 N 0.09 0.00 -0.12 3.13 0.00 -0.34 -0.36 120.51 122.90 2kzr n ALA 7 Ca 0.04 0.00 0.27 0.00 0.00 0.00 0.00 53.44 53.75 2kzr n ALA 7 Cb 0.48 0.00 0.72 0.00 0.00 0.00 0.00 19.45 20.65 2kzr n ALA 7 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 177.50 179.07 2kzr h LYS 8 N 0.00 0.00 -0.79 0.00 2.10 -1.91 -3.35 116.57 112.62 2kzr h LYS 8 Ca 0.00 0.00 -0.04 0.00 -2.00 0.00 0.00 60.65 58.61 2kzr h LYS 8 Cb 0.00 0.00 -0.18 0.00 -0.90 0.00 0.00 32.23 31.15 2kzr h LYS 8 CO 0.00 0.00 -0.37 0.20 -2.00 0.00 0.00 179.45 177.28 2kzr s GLY 9 N -3.92 -1.37 0.00 0.07 0.00 -1.26 -5.10 107.32 95.74 2kzr s GLY 9 Ca -0.05 0.32 0.00 0.00 0.00 0.00 0.00 44.72 44.99 2kzr s GLY 9 CO 0.70 3.84 0.00 0.61 0.00 0.00 0.00 173.10 178.25 2kzr n GLY 10 N 3.83 2.18 3.75 0.20 0.00 -1.26 -5.08 105.19 108.82 2kzr n GLY 10 Ca 0.11 -2.04 -0.30 0.00 0.00 0.00 0.00 46.02 43.80 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 -2.30 4.39 0.31 2.61 2.01 -1.26 -1.20 115.64 120.19 2kzr s THR 11 Ca 0.00 -0.86 0.08 0.00 0.31 0.00 0.00 61.69 61.22 2kzr s THR 11 Cb 0.00 -3.12 -0.06 0.00 0.01 0.00 0.00 72.50 69.33 2kzr s THR 11 CO 0.00 0.10 -0.08 -1.00 -0.69 0.00 0.00 174.62 172.95 2kzr s HIS 12 N -1.41 2.16 -0.29 4.92 3.76 0.55 -4.95 115.29 120.04 2kzr s HIS 12 Ca 0.29 -0.60 0.00 0.00 -0.15 0.00 0.00 55.06 54.60 2kzr s HIS 12 Cb -0.12 -1.23 0.09 0.00 1.11 0.00 0.00 32.58 32.44 2kzr s HIS 12 CO 0.21 0.43 0.06 -1.17 -0.85 0.00 0.00 174.74 173.42 2kzr s LEU 13 N -3.52 2.69 -0.19 0.89 1.98 -1.26 -1.37 118.68 117.90 2kzr s LEU 13 Ca 0.31 -1.59 -0.28 0.00 -2.89 0.00 0.00 54.13 49.68 2kzr s LEU 13 Cb 0.03 -1.04 -0.00 0.00 0.66 0.00 0.00 46.19 45.84 2kzr s LEU 13 CO 0.14 -0.37 0.97 -0.76 -1.89 0.00 0.00 176.35 174.44 2kzr s LEU 14 N 1.46 4.14 0.26 -0.68 1.02 -0.32 -4.95 118.68 119.61 2kzr s LEU 14 Ca 0.06 1.34 0.04 0.00 0.02 0.00 0.00 54.13 55.59 2kzr s LEU 14 Cb -0.18 -3.45 -0.03 0.00 0.02 0.00 0.00 46.19 42.55 2kzr s LEU 14 CO -0.17 -0.56 0.40 -1.10 0.02 0.00 0.00 176.35 174.93 2kzr s GLN 15 N 2.73 3.45 0.00 1.70 -1.52 -1.26 -2.41 119.66 122.35 2kzr s GLN 15 Ca 0.43 -0.67 0.00 0.00 -1.95 0.00 0.00 55.36 53.16 2kzr s GLN 15 Cb -0.16 -2.85 0.00 0.00 -0.22 0.00 0.00 33.01 29.78 2kzr s GLN 15 CO 0.10 0.38 0.00 0.41 -0.25 0.00 0.00 175.29 175.92 2kzr n GLY 16 N -1.47 0.57 3.75 3.09 0.00 -1.26 -5.03 105.19 104.83 2kzr n GLY 16 Ca -0.08 -0.04 -0.41 0.00 0.00 0.00 0.00 46.02 45.49 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 4.51 0.53 0.99 2.01 -1.17 -4.93 118.68 120.62 2kzr s LEU 17 Ca 0.00 2.20 0.04 0.00 0.01 0.00 0.00 54.13 56.38 2kzr s LEU 17 Cb 0.00 -3.61 0.02 0.00 0.01 0.00 0.00 46.19 42.60 2kzr s LEU 17 CO 0.00 -0.22 0.29 -0.44 1.01 0.00 0.00 176.35 176.99 2kzr s SER 18 N -0.39 4.49 0.18 2.29 0.01 -1.26 -0.31 113.70 118.72 2kzr s SER 18 Ca 0.48 -1.34 0.13 0.00 1.31 0.00 0.00 55.95 56.53 2kzr s SER 18 Cb -0.31 0.38 -0.06 0.00 0.21 0.00 0.00 66.02 66.23 2kzr s SER 18 CO 0.38 -1.00 1.25 0.77 0.41 0.00 0.00 173.24 175.04 2kzr h SER 19 N 0.95 0.00 -0.18 2.44 4.64 -2.00 -3.32 113.55 116.08 2kzr h SER 19 Ca -0.39 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.93 2kzr h SER 19 Cb 1.30 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.39 2kzr h SER 19 CO 0.62 0.69 0.00 -2.11 -0.87 0.00 0.00 176.83 175.16 2kzr n ARG 20 N -3.19 1.55 -1.76 4.77 1.85 -1.26 -3.91 116.66 114.70 2kzr n ARG 20 Ca -0.02 -0.83 -0.43 0.00 -1.00 0.00 0.00 57.85 55.57 2kzr n ARG 20 Cb 0.83 -1.29 -0.03 0.00 -1.05 0.00 0.00 32.46 30.93 2kzr n ARG 20 CO 0.00 0.00 0.00 0.99 -0.01 0.00 0.00 177.63 178.61 2kzr s THR 21 N -1.76 3.19 0.97 8.89 2.01 -1.25 -4.85 115.64 122.83 2kzr s THR 21 Ca 0.24 0.20 -0.16 0.00 0.31 0.00 0.00 61.69 62.29 2kzr s THR 21 Cb 0.13 -3.22 0.21 0.00 0.01 0.00 0.00 72.50 69.63 2kzr s THR 21 CO 0.19 -0.12 1.32 -0.13 -0.69 0.00 0.00 174.62 175.19 2kzr s ARG 22 N 5.69 0.50 0.09 4.92 0.52 -1.26 -2.26 118.95 127.14 2kzr s ARG 22 Ca 0.91 -0.55 -0.31 0.00 -0.52 0.00 0.00 55.73 55.25 2kzr s ARG 22 Cb -0.31 -1.86 -0.15 0.00 0.52 0.00 0.00 34.95 33.14 2kzr s ARG 22 CO 0.35 -2.48 1.62 1.25 0.02 0.00 0.00 175.30 176.06 2kzr h LEU 23 N -1.66 -0.86 -2.58 2.53 6.46 -0.45 -0.06 115.31 118.69 2kzr h LEU 23 Ca -0.43 0.06 -0.00 0.00 -0.12 0.00 0.00 57.88 57.39 2kzr h LEU 23 Cb 1.22 0.27 -0.00 0.00 -0.73 0.00 0.00 40.66 41.42 2kzr h LEU 23 CO 0.34 -0.49 -0.00 0.08 -0.62 0.00 0.00 178.44 177.74 2kzr h ARG 24 N -0.76 0.00 0.01 1.25 -0.00 -1.70 0.38 114.38 113.55 2kzr h ARG 24 Ca -0.04 0.00 -0.00 0.00 -0.00 0.00 0.00 59.98 59.94 2kzr h ARG 24 Cb 0.65 0.00 0.00 0.00 -0.00 0.00 0.00 29.97 30.62 2kzr h ARG 24 CO 0.01 0.00 -0.00 0.93 -0.00 0.00 0.00 179.97 180.91 2kzr h GLU 25 N 0.00 -0.01 0.18 0.08 4.39 -1.78 -3.28 114.58 114.17 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 0.13 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.79 2kzr h GLU 25 CO 0.00 0.70 -0.09 1.25 -1.16 0.00 0.00 179.01 179.72 2kzr h LEU 26 N -0.99 -0.20 -1.85 1.33 7.12 0.15 -1.07 115.31 119.80 2kzr h LEU 26 Ca -0.00 0.01 0.00 0.00 0.13 0.00 0.00 57.88 58.02 2kzr h LEU 26 Cb 0.71 0.05 0.00 0.00 -0.53 0.00 0.00 40.66 40.89 2kzr h LEU 26 CO 0.00 -0.07 0.00 1.56 -0.13 0.00 0.00 178.44 179.80 2kzr h GLN 27 N -0.39 0.00 -0.14 1.25 4.20 -1.22 -1.54 115.11 117.27 2kzr h GLN 27 Ca -0.02 0.00 -0.20 0.00 0.06 0.00 0.00 58.65 58.48 2kzr h GLN 27 Cb 0.18 0.00 0.01 0.00 0.30 0.00 0.00 27.48 27.97 2kzr h GLN 27 CO 0.04 0.00 -0.70 0.78 -0.67 0.00 0.00 178.83 178.28 2kzr h GLY 28 N 1.07 0.80 1.39 3.46 0.00 -1.61 -2.76 103.07 105.42 2kzr h GLY 28 Ca 0.00 -1.13 -0.15 0.00 0.00 0.00 0.00 47.33 46.05 2kzr h GLY 28 CO 0.00 1.00 -0.45 1.46 0.00 0.00 0.00 176.54 178.55 2kzr h GLN 29 N 0.42 0.66 -0.66 4.80 4.20 -0.23 -2.97 115.11 121.33 2kzr h GLN 29 Ca -0.05 -0.36 0.03 0.00 0.06 0.00 0.00 58.65 58.33 2kzr h GLN 29 Cb 1.34 0.02 -0.04 0.00 0.30 0.00 0.00 27.48 29.10 2kzr h GLN 29 CO 0.15 0.97 0.41 0.82 -0.67 0.00 0.00 178.83 180.50 2kzr h ILE 30 N 0.53 1.08 0.00 2.54 2.04 -1.42 0.53 117.51 122.81 2kzr h ILE 30 Ca 0.03 -0.27 -0.01 0.00 1.00 0.00 0.00 64.86 65.62 2kzr h ILE 30 Cb 0.99 0.21 -0.00 0.00 -0.74 0.00 0.00 36.82 37.28 2kzr h ILE 30 CO 0.09 0.15 -0.02 0.00 0.00 0.00 0.00 178.15 178.36 2kzr h ALA 31 N 1.29 1.60 0.00 1.87 0.00 -1.35 -1.29 119.26 121.38 2kzr h ALA 31 Ca 0.27 -0.02 -0.23 0.00 0.00 0.00 0.00 54.91 54.93 2kzr h ALA 31 Cb 0.03 -0.00 -0.04 0.00 0.00 0.00 0.00 17.79 17.78 2kzr h ALA 31 CO -0.11 0.03 -1.52 0.00 0.00 0.00 0.00 179.25 177.65 2kzr h ALA 32 N 1.98 0.70 -0.02 0.00 0.00 -1.14 -3.20 119.26 117.57 2kzr h ALA 32 Ca -0.00 -1.14 0.00 0.00 0.00 0.00 0.00 54.91 53.77 2kzr h ALA 32 Cb 0.06 0.36 0.00 0.00 0.00 0.00 0.00 17.79 18.20 2kzr h ALA 32 CO 0.00 1.25 0.00 -0.89 0.00 0.00 0.00 179.25 179.61 2kzr n ILE 33 N -2.99 0.00 0.45 0.00 2.08 0.08 -4.58 119.36 114.40 2kzr n ILE 33 Ca -0.12 0.50 0.12 0.00 0.56 0.00 0.00 62.75 63.80 2kzr n ILE 33 Cb 0.94 -1.49 0.13 0.00 -0.75 0.00 0.00 39.64 38.47 2kzr n ILE 33 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 2kzr h THR 34 N 0.00 0.00 0.00 1.39 1.03 -1.52 -3.48 112.91 110.33 2kzr h THR 34 Ca 0.00 -0.63 0.00 0.00 -0.01 0.00 0.00 66.41 65.77 2kzr h THR 34 Cb 0.00 1.20 0.00 0.00 -1.07 0.00 0.00 68.15 68.28 2kzr h THR 34 CO 0.00 0.00 0.00 0.61 -0.01 0.00 0.00 175.52 176.12 2kzr n GLY 35 N 1.29 1.00 3.62 2.99 0.00 -1.12 -5.02 105.19 107.95 2kzr n GLY 35 Ca 0.02 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.62 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 -3.10 4.18 0.47 -0.61 -1.09 -1.26 -4.90 121.20 114.89 2kzr s ILE 36 Ca 0.00 1.28 -0.23 0.00 -2.23 0.00 0.00 60.65 59.47 2kzr s ILE 36 Cb 0.00 -4.34 -0.08 0.00 -1.58 0.00 0.00 42.46 36.45 2kzr s ILE 36 CO 0.00 -0.69 1.21 0.00 -1.23 0.00 0.00 174.94 174.23 2kzr n ALA 37 N 7.79 1.03 0.26 9.38 0.00 -1.26 -3.59 120.51 134.12 2kzr n ALA 37 Ca 0.14 0.19 0.17 0.00 0.00 0.00 0.00 53.44 53.94 2kzr n ALA 37 Cb 0.48 -2.23 0.91 0.00 0.00 0.00 0.00 19.45 18.60 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 1.64 0.00 -0.81 0.00 0.13 -1.88 0.70 132.00 131.77 2kzr h PRO 38 Ca -0.48 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.65 2kzr h PRO 38 Cb 1.31 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.44 2kzr h PRO 38 CO 0.57 0.00 0.00 0.41 -0.23 0.00 0.00 178.00 178.75 2kzr n GLY 39 N -1.32 2.10 0.13 1.56 0.00 -1.26 -3.55 105.19 102.85 2kzr n GLY 39 Ca -0.01 -0.39 0.00 0.00 0.00 0.00 0.00 46.02 45.62 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 0.27 0.00 -3.77 1.61 7.64 0.23 -4.77 113.62 114.84 2kzr n SER 40 Ca 0.12 -1.26 -0.13 0.00 1.01 0.00 0.00 58.87 58.61 2kzr n SER 40 Cb 0.65 -0.05 -0.10 0.00 -1.01 0.00 0.00 64.21 63.70 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 0.48 0.44 1.43 1.03 -1.20 -0.90 119.66 120.94 2kzr s GLN 41 Ca 0.00 0.18 0.03 0.00 0.04 0.00 0.00 55.36 55.61 2kzr s GLN 41 Cb 0.00 0.22 -0.03 0.00 0.03 0.00 0.00 33.01 33.23 2kzr s GLN 41 CO 0.00 -0.10 0.06 1.03 -2.54 0.00 0.00 175.29 173.74 2kzr s ARG 42 N -0.44 2.00 -0.51 9.60 0.52 -1.26 -4.86 118.95 124.00 2kzr s ARG 42 Ca -0.06 -2.23 -0.15 0.00 -0.52 0.00 0.00 55.73 52.78 2kzr s ARG 42 Cb -0.04 -1.11 0.12 0.00 0.52 0.00 0.00 34.95 34.44 2kzr s ARG 42 CO 0.02 -0.35 0.45 0.42 0.02 0.00 0.00 175.30 175.86 2kzr s ILE 43 N -3.04 5.04 0.05 1.52 -1.09 -1.26 -4.43 121.20 117.99 2kzr s ILE 43 Ca 0.19 -1.46 0.07 0.00 -2.23 0.00 0.00 60.65 57.23 2kzr s ILE 43 Cb 0.04 -4.19 -0.03 0.00 -1.58 0.00 0.00 42.46 36.69 2kzr s ILE 43 CO 0.10 -0.79 -0.18 -0.76 -1.23 0.00 0.00 174.94 172.08 2kzr s LEU 44 N 1.57 2.60 0.39 2.97 1.43 -1.23 -3.82 118.68 122.59 2kzr s LEU 44 Ca 0.04 -0.44 0.08 0.00 -1.03 0.00 0.00 54.13 52.77 2kzr s LEU 44 Cb -0.28 -1.51 -0.05 0.00 0.03 0.00 0.00 46.19 44.37 2kzr s LEU 44 CO 0.03 0.25 0.13 0.68 0.23 0.00 0.00 176.35 177.67 2kzr s VAL 45 N -0.94 2.40 0.17 -1.59 -7.23 -1.26 -0.66 120.40 111.29 2kzr s VAL 45 Ca 0.15 -1.78 -0.15 0.00 -1.81 0.00 0.00 61.98 58.39 2kzr s VAL 45 Cb -0.10 -2.96 0.08 0.00 0.56 0.00 0.00 36.38 33.95 2kzr s VAL 45 CO 0.06 -0.06 1.72 1.23 -0.31 0.00 0.00 175.10 177.74 2kzr h GLY 46 N 1.54 0.50 -1.32 2.32 0.00 -1.45 -3.41 103.07 101.24 2kzr h GLY 46 Ca -0.43 -0.01 -0.51 0.00 0.00 0.00 0.00 47.33 46.39 2kzr h GLY 46 CO 0.70 -0.06 0.41 -2.52 0.00 0.00 0.00 176.54 175.07 2kzr s TYR 47 N -6.16 3.57 -0.39 5.60 1.13 -1.26 -4.97 117.35 114.87 2kzr s TYR 47 Ca -0.13 1.22 -0.38 0.00 -1.41 0.00 0.00 57.07 56.37 2kzr s TYR 47 Cb 0.14 -2.77 -0.14 0.00 -1.10 0.00 0.00 41.96 38.09 2kzr s TYR 47 CO 0.72 -0.77 2.14 -2.30 -2.51 0.00 0.00 175.55 172.83 2kzr n PRO 48 N -2.78 0.76 -1.99 -3.49 -0.02 -1.26 -4.97 135.00 121.25 2kzr n PRO 48 Ca 0.06 0.21 -0.29 0.00 -2.02 0.00 0.00 63.50 61.47 2kzr n PRO 48 Cb 0.55 -2.15 0.20 0.00 -0.02 0.00 0.00 33.50 32.07 2kzr n PRO 48 CO 0.00 0.00 0.00 -0.35 1.98 0.00 0.00 175.50 177.13 2kzr n PRO 49 N 7.78 -1.16 -0.47 0.52 -0.04 -1.26 -4.99 135.00 135.37 2kzr n PRO 49 Ca 0.44 -2.15 0.09 0.00 -0.04 0.00 0.00 63.50 61.84 2kzr n PRO 49 Cb 0.14 -1.29 0.30 0.00 -0.04 0.00 0.00 33.50 32.61 2kzr n PRO 49 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 2kzr n GLU 50 N -3.71 3.09 -3.34 0.54 -0.58 -1.26 -4.95 120.64 110.44 2kzr n GLU 50 Ca 0.17 -2.39 -0.13 0.00 -0.42 0.00 0.00 57.16 54.39 2kzr n GLU 50 Cb 0.58 -1.72 0.02 0.00 -0.57 0.00 0.00 31.44 29.76 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 -4.87 4.37 -0.77 0.00 1.43 -1.25 -4.98 118.68 112.62 2kzr s LEU 52 Ca 0.17 2.51 -0.11 0.00 -1.03 0.00 0.00 54.13 55.67 2kzr s LEU 52 Cb -0.04 -3.59 0.20 0.00 0.03 0.00 0.00 46.19 42.79 2kzr s LEU 52 CO 0.79 -0.79 0.67 -1.81 0.23 0.00 0.00 176.35 175.45 2kzr s ASP 53 N 1.31 6.28 -0.56 2.29 1.11 -1.26 -4.40 116.67 121.45 2kzr s ASP 53 Ca 0.69 -2.75 -0.23 0.00 0.18 0.00 0.00 52.55 50.44 2kzr s ASP 53 Cb -0.41 -2.10 0.05 0.00 1.07 0.00 0.00 42.92 41.53 2kzr s ASP 53 CO 0.31 -0.51 0.91 -0.76 1.18 0.00 0.00 175.17 176.30 2kzr s LEU 54 N 0.08 4.24 -0.25 1.23 1.02 -1.26 -4.87 118.68 118.87 2kzr s LEU 54 Ca 0.18 -0.50 -0.14 0.00 0.02 0.00 0.00 54.13 53.68 2kzr s LEU 54 Cb -0.13 -2.73 -0.10 0.00 0.02 0.00 0.00 46.19 43.24 2kzr s LEU 54 CO -0.07 -1.22 -0.35 -0.24 0.02 0.00 0.00 176.35 174.50 2kzr n SER 55 N 7.34 1.90 -4.61 2.29 2.88 -1.26 -4.95 113.62 117.22 2kzr n SER 55 Ca 0.00 0.33 -0.43 0.00 -1.33 0.00 0.00 58.87 57.44 2kzr n SER 55 Cb 0.47 -0.78 -0.02 0.00 -0.75 0.00 0.00 64.21 63.12 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 -7.13 6.25 0.59 -3.46 2.15 -1.26 -4.90 116.67 108.91 2kzr s ASP 56 Ca -0.36 1.20 0.29 0.00 0.43 0.00 0.00 52.55 54.11 2kzr s ASP 56 Cb 0.12 -2.53 1.51 0.00 -0.30 0.00 0.00 42.92 41.72 2kzr s ASP 56 CO 0.46 -1.43 1.93 0.08 -0.17 0.00 0.00 175.17 176.04 2kzr h ARG 57 N 11.19 0.00 -0.01 4.34 -0.00 -1.97 -2.40 114.38 125.52 2kzr h ARG 57 Ca -0.31 0.00 0.00 0.00 -0.00 0.00 0.00 59.98 59.67 2kzr h ARG 57 Cb 1.13 0.00 0.00 0.00 -0.00 0.00 0.00 29.97 31.10 2kzr h ARG 57 CO 1.04 0.00 -0.17 -3.47 -0.00 0.00 0.00 179.97 177.37 2kzr n ASP 58 N -3.69 1.53 -4.69 0.08 2.03 -1.26 -1.91 116.55 108.64 2kzr n ASP 58 Ca 0.07 -1.30 -0.42 0.00 0.52 0.00 0.00 54.79 53.66 2kzr n ASP 58 Cb 0.60 0.12 -0.03 0.00 -0.72 0.00 0.00 41.12 41.09 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 -2.27 3.83 0.74 5.18 2.07 -0.91 -4.67 121.20 125.17 2kzr s ILE 59 Ca 0.29 1.21 -0.04 0.00 -1.41 0.00 0.00 60.65 60.69 2kzr s ILE 59 Cb 0.20 -3.77 0.12 0.00 0.13 0.00 0.00 42.46 39.13 2kzr s ILE 59 CO 0.44 0.00 1.02 0.42 -1.91 0.00 0.00 174.94 174.92 2kzr s THR 60 N 2.29 2.19 -1.25 4.00 -4.23 -1.26 -0.76 115.64 116.62 2kzr s THR 60 Ca 0.62 -0.47 0.20 0.00 -1.18 0.00 0.00 61.69 60.86 2kzr s THR 60 Cb -0.30 -2.72 0.28 0.00 1.34 0.00 0.00 72.50 71.10 2kzr s THR 60 CO 0.26 0.00 1.64 0.18 -0.54 0.00 0.00 174.62 176.16 2kzr n LEU 61 N -2.94 0.00 0.27 4.79 4.77 -0.96 -2.37 117.00 120.56 2kzr n LEU 61 Ca 0.13 0.38 0.17 0.00 -0.03 0.00 0.00 56.01 56.66 2kzr n LEU 61 Cb 0.60 -0.38 0.75 0.00 -2.33 0.00 0.00 43.42 42.07 2kzr n LEU 61 CO 0.44 -0.12 1.01 1.23 -1.33 0.00 0.00 177.39 178.62 2kzr h GLY 62 N 3.38 0.00 0.00 -0.72 0.00 -1.89 -3.30 103.07 100.54 2kzr h GLY 62 Ca 0.00 0.00 -0.37 0.00 0.00 0.00 0.00 47.33 46.96 2kzr h GLY 62 CO 0.00 0.00 -2.22 1.34 0.00 0.00 0.00 176.54 175.66 2kzr n ASP 63 N -2.96 1.93 -4.83 0.19 2.03 -1.00 -5.02 116.55 106.89 2kzr n ASP 63 Ca 0.00 0.33 -0.34 0.00 0.52 0.00 0.00 54.79 55.31 2kzr n ASP 63 Cb 0.25 -0.79 -0.06 0.00 -0.72 0.00 0.00 41.12 39.79 2kzr n ASP 63 CO 0.00 0.00 0.00 -0.76 -1.92 0.00 0.00 177.20 174.52 2kzr s LEU 64 N -7.57 4.12 0.00 -2.67 2.01 -1.19 -4.98 118.68 108.40 2kzr s LEU 64 Ca -0.36 1.49 0.00 0.00 0.01 0.00 0.00 54.13 55.27 2kzr s LEU 64 Cb 0.13 -4.10 0.00 0.00 0.01 0.00 0.00 46.19 42.22 2kzr s LEU 64 CO 0.47 -0.19 1.04 -2.65 1.01 0.00 0.00 176.35 176.03 2kzr n PRO 65 N -0.12 0.90 -2.16 1.29 -0.02 -1.26 -4.67 135.00 128.96 2kzr n PRO 65 Ca 0.03 0.00 -0.43 0.00 -2.02 0.00 0.00 63.50 61.09 2kzr n PRO 65 Cb 0.53 -1.05 -0.02 0.00 -0.02 0.00 0.00 33.50 32.93 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 0.11 3.81 0.32 4.25 1.09 -1.26 -5.01 121.20 124.51 2kzr s ILE 66 Ca 0.00 0.96 0.10 0.00 -1.10 0.00 0.00 60.65 60.61 2kzr s ILE 66 Cb 0.00 -3.71 -0.06 0.00 -1.06 0.00 0.00 42.46 37.63 2kzr s ILE 66 CO 0.00 -0.19 -0.13 -1.10 -0.10 0.00 0.00 174.94 173.43 2kzr s GLN 67 N 4.17 1.76 -0.40 2.79 -0.21 -1.26 -4.94 119.66 121.56 2kzr s GLN 67 Ca 0.68 -1.88 -0.28 0.00 0.02 0.00 0.00 55.36 53.90 2kzr s GLN 67 Cb -0.27 -1.68 -0.01 0.00 1.00 0.00 0.00 33.01 32.05 2kzr s GLN 67 CO 0.26 0.19 1.65 0.45 -2.12 0.00 0.00 175.29 175.71 2kzr s SER 68 N -3.57 5.99 0.00 5.90 0.15 -1.26 -2.02 113.70 118.90 2kzr s SER 68 Ca 0.31 0.97 0.00 0.00 0.70 0.00 0.00 55.95 57.93 2kzr s SER 68 Cb 0.00 -2.53 0.00 0.00 -1.71 0.00 0.00 66.02 61.78 2kzr s SER 68 CO 0.16 -1.69 0.00 0.61 1.20 0.00 0.00 173.24 173.52 2kzr n GLY 69 N 5.32 0.61 3.80 9.45 0.00 -0.54 -4.84 105.19 119.00 2kzr n GLY 69 Ca 0.20 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.90 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 -2.98 5.43 -0.53 1.61 2.15 -0.85 -4.56 116.67 116.93 2kzr s ASP 70 Ca 0.00 1.80 -0.20 0.00 0.43 0.00 0.00 52.55 54.58 2kzr s ASP 70 Cb 0.00 -2.53 0.06 0.00 -0.30 0.00 0.00 42.92 40.16 2kzr s ASP 70 CO 0.00 -1.41 0.71 -0.32 -0.17 0.00 0.00 175.17 173.98 2kzr s MET 71 N -4.41 3.15 -0.30 4.34 -2.45 -1.26 -1.87 119.30 116.49 2kzr s MET 71 Ca 0.62 -0.83 -0.09 0.00 -1.25 0.00 0.00 55.69 54.15 2kzr s MET 71 Cb -0.16 -4.12 -0.01 0.00 1.25 0.00 0.00 34.83 31.79 2kzr s MET 71 CO 0.44 -1.34 0.14 -0.51 1.05 0.00 0.00 175.02 174.80 2kzr s LEU 72 N 2.95 4.03 -0.66 4.11 2.01 -0.56 -0.95 118.68 129.62 2kzr s LEU 72 Ca 0.18 -0.54 -0.23 0.00 0.01 0.00 0.00 54.13 53.55 2kzr s LEU 72 Cb -0.18 -1.98 0.06 0.00 0.01 0.00 0.00 46.19 44.10 2kzr s LEU 72 CO 0.12 -0.18 1.00 -0.63 1.01 0.00 0.00 176.35 177.67 2kzr s ILE 73 N 1.59 4.25 -0.58 -0.59 1.09 0.16 -0.84 121.20 126.28 2kzr s ILE 73 Ca 0.04 -0.18 -0.28 0.00 -1.10 0.00 0.00 60.65 59.14 2kzr s ILE 73 Cb -0.17 -4.70 0.02 0.00 -1.06 0.00 0.00 42.46 36.55 2kzr s ILE 73 CO 0.05 -1.47 1.31 -0.69 -0.10 0.00 0.00 174.94 174.04 2kzr s VAL 74 N 4.28 3.88 0.69 2.92 1.01 0.51 -3.53 120.40 130.15 2kzr s VAL 74 Ca 0.25 0.75 -0.11 0.00 0.00 0.00 0.00 61.98 62.87 2kzr s VAL 74 Cb -0.15 -4.60 0.00 0.00 0.00 0.00 0.00 36.38 31.63 2kzr s VAL 74 CO 0.12 -1.30 1.06 -1.83 0.00 0.00 0.00 175.10 173.15 2kzr s GLU 75 N 5.29 2.98 -0.29 2.72 -1.05 -1.26 -3.86 118.70 123.23 2kzr s GLU 75 Ca 0.47 0.74 -0.00 0.00 -0.15 0.00 0.00 54.97 56.03 2kzr s GLU 75 Cb -0.09 -2.01 0.06 0.00 -0.44 0.00 0.00 34.13 31.64 2kzr s GLU 75 CO 0.24 -1.01 -0.03 -2.00 0.95 0.00 0.00 175.26 173.41 2kzr s GLU 76 N -5.17 2.33 0.34 -4.83 2.12 -1.25 -4.15 118.70 108.09 2kzr s GLU 76 Ca 0.58 -1.33 0.25 0.00 0.36 0.00 0.00 54.97 54.83 2kzr s GLU 76 Cb -0.13 -3.10 0.65 0.00 0.26 0.00 0.00 34.13 31.81 2kzr s GLU 76 CO 0.54 -0.63 1.71 0.22 -0.54 0.00 0.00 175.26 176.57 2kzr h ASP 77 N 7.91 0.00 -0.22 -1.70 3.58 -1.40 -3.48 116.42 121.12 2kzr h ASP 77 Ca -0.20 0.00 -0.09 0.00 0.42 0.00 0.00 57.03 57.16 2kzr h ASP 77 Cb 1.05 0.00 -0.04 0.00 1.72 0.00 0.00 39.33 42.07 2kzr h ASP 77 CO 0.51 0.00 -0.09 0.00 -2.88 0.00 0.00 179.24 176.79 2kzr n GLN 78 N -2.69 -1.23 0.25 0.28 6.02 -1.26 -4.86 117.38 113.88 2kzr n GLN 78 Ca 0.04 0.55 0.15 0.00 -0.01 0.00 0.00 57.00 57.74 2kzr n GLN 78 Cb 0.46 -4.59 0.53 0.00 1.02 0.00 0.00 30.24 27.66 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 0.00 -6.39 5.09 1.03 -1.92 -3.48 112.91 107.24 2kzr h THR 79 Ca -0.09 -0.61 -0.35 0.00 -0.01 0.00 0.00 66.41 65.35 2kzr h THR 79 Cb 0.75 1.59 0.01 0.00 -1.07 0.00 0.00 68.15 69.43 2kzr h THR 79 CO 0.14 0.00 -1.01 -2.11 -0.01 0.00 0.00 175.52 172.53 2kzr n ARG 80 N -2.99 -1.82 -1.84 0.00 1.85 -1.26 -4.99 116.66 105.61 2kzr n ARG 80 Ca 0.02 1.30 -0.20 0.00 -1.00 0.00 0.00 57.85 57.97 2kzr n ARG 80 Cb 0.36 -2.80 0.12 0.00 -1.05 0.00 0.00 32.46 29.08 2kzr n ARG 80 CO 0.00 0.00 0.00 -0.35 -0.01 0.00 0.00 177.63 177.27 2kzr n PRO 81 N -1.10 -0.39 -0.88 2.89 -0.04 -1.26 -4.99 135.00 129.23 2kzr n PRO 81 Ca -0.13 -1.88 -0.02 0.00 -0.04 0.00 0.00 63.50 61.43 2kzr n PRO 81 Cb 0.65 -0.74 0.30 0.00 -0.04 0.00 0.00 33.50 33.67 2kzr n PRO 81 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 2kzr n LYS 82 N -2.74 3.73 -2.04 0.54 5.02 -1.26 -4.94 118.16 116.47 2kzr n LYS 82 Ca 0.13 -2.72 -0.40 0.00 -2.02 0.00 0.00 58.31 53.29 2kzr n LYS 82 Cb 0.45 -2.13 -0.03 0.00 -0.02 0.00 0.00 35.03 33.30 2kzr n LYS 82 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2kzr s ALA 83 N -2.65 2.47 -0.38 7.82 0.00 -1.26 -3.91 121.76 123.86 2kzr s ALA 83 Ca 0.48 -0.29 -0.10 0.00 0.00 0.00 0.00 51.96 52.06 2kzr s ALA 83 Cb 0.38 -4.18 0.01 0.00 0.00 0.00 0.00 23.12 19.34 2kzr s ALA 83 CO 0.13 -3.35 0.47 0.45 0.00 0.00 0.00 175.76 173.46 2kzr n SER 84 N 11.64 -6.54 -4.57 0.00 2.88 -1.26 -4.82 113.62 110.96 2kzr n SER 84 Ca 0.21 0.31 -0.28 0.00 -1.33 0.00 0.00 58.87 57.78 2kzr n SER 84 Cb 0.50 -4.36 -0.06 0.00 -0.75 0.00 0.00 64.21 59.55 2kzr n SER 84 CO 0.00 0.00 0.00 -2.84 -1.23 0.00 0.00 175.04 170.97 2kzr s PRO 85 N -2.40 2.53 0.00 -1.46 0.02 -1.25 -5.15 135.00 127.29 2kzr s PRO 85 Ca 0.15 -0.97 0.00 0.00 0.02 0.00 0.00 61.00 60.20 2kzr s PRO 85 Cb -0.04 -5.20 0.00 0.00 0.02 0.00 0.00 34.50 29.27 2kzr s PRO 85 CO 0.59 -3.82 0.00 0.43 -0.33 0.00 0.00 177.00 173.86