#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 3.89 -0.08 -0.99 0.52 -1.25 -3.96 118.95 117.07 2kzr s ARG 2 Ca 0.00 -1.92 -0.05 0.00 -0.52 0.00 0.00 55.73 53.24 2kzr s ARG 2 Cb 0.00 -5.32 -0.04 0.00 0.52 0.00 0.00 34.95 30.11 2kzr s ARG 2 CO 0.00 -2.08 0.15 0.08 0.02 0.00 0.00 175.30 173.47 2kzr s VAL 3 N 3.61 5.43 0.12 3.52 1.01 -0.56 -3.67 120.40 129.86 2kzr s VAL 3 Ca 0.47 0.07 -0.28 0.00 0.00 0.00 0.00 61.98 62.24 2kzr s VAL 3 Cb 0.01 -3.42 -0.06 0.00 0.00 0.00 0.00 36.38 32.91 2kzr s VAL 3 CO 0.00 0.53 0.89 -0.13 0.00 0.00 0.00 175.10 176.39 2kzr s ARG 4 N -1.31 4.66 -0.62 2.72 1.81 -0.54 -1.36 118.95 124.31 2kzr s ARG 4 Ca 0.19 1.33 -0.02 0.00 -1.72 0.00 0.00 55.73 55.51 2kzr s ARG 4 Cb -0.12 -3.35 0.16 0.00 -0.45 0.00 0.00 34.95 31.19 2kzr s ARG 4 CO 0.09 0.31 0.43 0.00 -0.68 0.00 0.00 175.30 175.45 2kzr s LYS 6 N -0.13 3.40 0.31 0.00 2.47 -0.12 -1.35 119.74 124.32 2kzr s LYS 6 Ca 0.17 -0.03 0.03 0.00 -1.56 0.00 0.00 55.97 54.58 2kzr s LYS 6 Cb -0.21 -4.05 -0.06 0.00 -1.46 0.00 0.00 37.83 32.05 2kzr s LYS 6 CO -0.03 -1.63 0.06 0.00 0.16 0.00 0.00 175.35 173.91 2kzr s ALA 7 N 4.55 2.25 -1.05 3.13 0.00 -0.73 -0.17 121.76 129.74 2kzr s ALA 7 Ca 0.36 -2.03 0.17 0.00 0.00 0.00 0.00 51.96 50.47 2kzr s ALA 7 Cb -0.10 0.73 0.75 0.00 0.00 0.00 0.00 23.12 24.49 2kzr s ALA 7 CO 0.22 -0.33 1.54 0.36 0.00 0.00 0.00 175.76 177.55 2kzr n LYS 8 N -0.65 0.03 -0.63 0.00 2.85 -1.26 -1.60 118.16 116.90 2kzr n LYS 8 Ca -0.02 0.20 -0.05 0.00 -1.05 0.00 0.00 58.31 57.39 2kzr n LYS 8 Cb 0.66 -1.50 0.17 0.00 -0.65 0.00 0.00 35.03 33.72 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 0.25 2.95 0.00 2.58 0.00 -1.26 -5.05 105.19 104.66 2kzr n GLY 9 Ca 0.05 -0.60 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 -0.06 0.42 3.74 -0.02 0.00 -0.63 -4.94 105.19 103.70 2kzr n GLY 10 Ca 0.26 -1.91 -0.39 0.00 0.00 0.00 0.00 46.02 43.98 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 -1.72 4.95 0.42 2.61 2.01 -1.26 -1.77 115.64 120.88 2kzr s THR 11 Ca 0.00 1.35 0.04 0.00 0.31 0.00 0.00 61.69 63.39 2kzr s THR 11 Cb 0.00 -3.99 -0.05 0.00 0.01 0.00 0.00 72.50 68.47 2kzr s THR 11 CO 0.00 0.34 0.04 -1.00 -0.69 0.00 0.00 174.62 173.31 2kzr s HIS 12 N 0.25 2.10 -0.17 4.92 3.76 -0.46 -4.95 115.29 120.74 2kzr s HIS 12 Ca 0.34 -0.91 -0.05 0.00 -0.15 0.00 0.00 55.06 54.30 2kzr s HIS 12 Cb -0.18 -1.53 0.06 0.00 1.11 0.00 0.00 32.58 32.04 2kzr s HIS 12 CO 0.18 0.18 0.11 -1.17 -0.85 0.00 0.00 174.74 173.18 2kzr s LEU 13 N -3.70 0.26 -0.13 0.89 1.98 -1.26 -1.46 118.68 115.26 2kzr s LEU 13 Ca 0.25 -0.50 -0.14 0.00 -2.89 0.00 0.00 54.13 50.84 2kzr s LEU 13 Cb 0.06 -0.14 -0.05 0.00 0.66 0.00 0.00 46.19 46.72 2kzr s LEU 13 CO 0.12 -0.34 0.33 -0.76 -1.89 0.00 0.00 176.35 173.81 2kzr s LEU 14 N 2.17 4.29 -0.21 -0.68 1.02 -0.47 -4.95 118.68 119.86 2kzr s LEU 14 Ca 0.03 0.62 0.13 0.00 0.02 0.00 0.00 54.13 54.92 2kzr s LEU 14 Cb -0.16 -2.44 -0.22 0.00 0.02 0.00 0.00 46.19 43.40 2kzr s LEU 14 CO -0.09 0.13 -0.02 0.00 0.02 0.00 0.00 176.35 176.40 2kzr n GLN 15 N 3.25 0.77 -0.78 1.70 3.00 -1.26 -1.49 117.38 122.57 2kzr n GLN 15 Ca -0.12 0.03 -0.08 0.00 -0.01 0.00 0.00 57.00 56.83 2kzr n GLN 15 Cb 0.52 -1.50 -0.06 0.00 0.00 0.00 0.00 30.24 29.20 2kzr n GLN 15 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 2kzr n GLY 16 N 1.95 2.94 3.21 1.08 0.00 -1.26 -2.84 105.19 110.28 2kzr n GLY 16 Ca -0.35 -0.67 -0.35 0.00 0.00 0.00 0.00 46.02 44.65 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 -0.29 3.25 0.69 0.99 1.43 -1.25 -4.98 118.68 118.52 2kzr s LEU 17 Ca 0.32 -0.85 -0.00 0.00 -1.03 0.00 0.00 54.13 52.56 2kzr s LEU 17 Cb 0.17 -1.69 0.11 0.00 0.03 0.00 0.00 46.19 44.81 2kzr s LEU 17 CO -0.01 -0.13 0.96 -0.55 0.23 0.00 0.00 176.35 176.84 2kzr s SER 18 N 1.34 4.49 0.35 2.29 0.15 -1.26 0.35 113.70 121.41 2kzr s SER 18 Ca 0.00 -0.34 0.02 0.00 0.70 0.00 0.00 55.95 56.33 2kzr s SER 18 Cb -0.17 -0.10 0.62 0.00 -1.71 0.00 0.00 66.02 64.67 2kzr s SER 18 CO -0.04 -1.76 1.99 0.77 1.20 0.00 0.00 173.24 175.40 2kzr h SER 19 N -0.43 0.70 -1.45 5.45 4.64 -1.99 -3.09 113.55 117.38 2kzr h SER 19 Ca -0.37 -0.04 -0.61 0.00 -0.47 0.00 0.00 61.79 60.30 2kzr h SER 19 Cb 1.27 -0.18 -0.39 0.00 -0.31 0.00 0.00 62.40 62.79 2kzr h SER 19 CO 0.42 0.54 -0.42 0.54 -0.87 0.00 0.00 176.83 177.04 2kzr n ARG 20 N -4.42 3.33 -2.49 4.77 1.74 -1.26 -3.33 116.66 115.01 2kzr n ARG 20 Ca 0.06 -4.27 -0.42 0.00 -0.77 0.00 0.00 57.85 52.45 2kzr n ARG 20 Cb 0.07 -2.26 -0.03 0.00 -1.02 0.00 0.00 32.46 29.23 2kzr n ARG 20 CO 0.00 0.00 0.00 0.99 -1.52 0.00 0.00 177.63 177.10 2kzr s THR 21 N -5.30 4.28 0.60 0.55 2.01 -1.17 -4.76 115.64 111.85 2kzr s THR 21 Ca 0.50 1.63 -0.00 0.00 0.31 0.00 0.00 61.69 64.12 2kzr s THR 21 Cb 0.41 -4.04 0.12 0.00 0.01 0.00 0.00 72.50 69.00 2kzr s THR 21 CO -0.18 0.07 0.82 0.54 -0.69 0.00 0.00 174.62 175.19 2kzr n ARG 22 N 4.43 -0.01 0.08 4.92 1.74 -1.26 -1.19 116.66 125.38 2kzr n ARG 22 Ca 0.09 -2.21 -0.13 0.00 -0.77 0.00 0.00 57.85 54.83 2kzr n ARG 22 Cb 0.47 -0.56 -0.07 0.00 -1.02 0.00 0.00 32.46 31.29 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 -1.18 -1.35 0.55 6.46 -1.05 -0.14 115.31 118.60 2kzr h LEU 23 Ca -0.27 0.14 0.00 0.00 -0.12 0.00 0.00 57.88 57.63 2kzr h LEU 23 Cb 1.00 0.46 0.00 0.00 -0.73 0.00 0.00 40.66 41.38 2kzr h LEU 23 CO 0.29 -0.45 0.00 0.08 -0.62 0.00 0.00 178.44 177.74 2kzr h ARG 24 N -0.58 0.00 0.04 1.25 0.11 -1.89 0.15 114.38 113.45 2kzr h ARG 24 Ca 0.04 0.00 -0.35 0.00 0.10 0.00 0.00 59.98 59.77 2kzr h ARG 24 Cb 0.64 0.00 -0.05 0.00 1.11 0.00 0.00 29.97 31.68 2kzr h ARG 24 CO -0.27 0.00 -2.05 -0.85 0.10 0.00 0.00 179.97 176.90 2kzr n GLU 25 N -3.02 0.69 0.04 0.08 0.00 -1.18 -3.09 120.64 114.14 2kzr n GLU 25 Ca 0.01 0.21 -0.02 0.00 0.00 0.00 0.00 57.16 57.36 2kzr n GLU 25 Cb 0.31 -1.67 -0.01 0.00 0.00 0.00 0.00 31.44 30.07 2kzr n GLU 25 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.13 178.38 2kzr h LEU 26 N 0.02 -0.09 -1.38 -1.84 7.12 -0.29 -1.88 115.31 116.98 2kzr h LEU 26 Ca -0.43 0.00 0.00 0.00 0.13 0.00 0.00 57.88 57.59 2kzr h LEU 26 Cb 2.04 0.02 0.00 0.00 -0.53 0.00 0.00 40.66 42.20 2kzr h LEU 26 CO 0.05 -0.01 0.00 1.56 -0.13 0.00 0.00 178.44 179.90 2kzr h GLN 27 N -0.21 0.00 -0.24 1.25 4.20 -1.22 -2.17 115.11 116.72 2kzr h GLN 27 Ca -0.01 0.00 -0.18 0.00 0.06 0.00 0.00 58.65 58.52 2kzr h GLN 27 Cb 0.08 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 27.86 2kzr h GLN 27 CO 0.02 0.00 -0.56 0.78 -0.67 0.00 0.00 178.83 178.40 2kzr h GLY 28 N 1.89 0.80 0.84 3.46 0.00 -1.57 -2.07 103.07 106.42 2kzr h GLY 28 Ca 0.00 -0.94 -0.10 0.00 0.00 0.00 0.00 47.33 46.29 2kzr h GLY 28 CO 0.00 0.84 -0.26 1.46 0.00 0.00 0.00 176.54 178.59 2kzr h GLN 29 N 0.56 0.50 -0.90 4.80 4.20 -0.74 -3.18 115.11 120.35 2kzr h GLN 29 Ca 0.01 -0.29 0.10 0.00 0.06 0.00 0.00 58.65 58.52 2kzr h GLN 29 Cb 1.14 0.02 -0.07 0.00 0.30 0.00 0.00 27.48 28.87 2kzr h GLN 29 CO 0.12 0.88 0.55 0.82 -0.67 0.00 0.00 178.83 180.53 2kzr h ILE 30 N 0.16 0.94 0.00 2.54 2.04 -1.43 0.22 117.51 121.98 2kzr h ILE 30 Ca 0.02 -0.31 -0.02 0.00 1.00 0.00 0.00 64.86 65.55 2kzr h ILE 30 Cb 0.83 -0.05 -0.00 0.00 -0.74 0.00 0.00 36.82 36.85 2kzr h ILE 30 CO 0.06 0.17 -0.09 0.00 0.00 0.00 0.00 178.15 178.29 2kzr h ALA 31 N 1.48 1.38 0.02 1.87 0.00 -1.36 -0.88 119.26 121.77 2kzr h ALA 31 Ca 0.43 -0.08 -0.30 0.00 0.00 0.00 0.00 54.91 54.96 2kzr h ALA 31 Cb 0.36 -0.01 -0.05 0.00 0.00 0.00 0.00 17.79 18.09 2kzr h ALA 31 CO -0.24 0.11 -1.76 0.00 0.00 0.00 0.00 179.25 177.36 2kzr n ALA 32 N -2.30 1.41 -0.01 0.00 0.00 0.03 -3.26 120.51 116.37 2kzr n ALA 32 Ca -0.02 -0.75 -0.00 0.00 0.00 0.00 0.00 53.44 52.66 2kzr n ALA 32 Cb 0.19 -0.82 -0.00 0.00 0.00 0.00 0.00 19.45 18.82 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 0.01 0.00 0.00 0.00 1.08 -0.26 -3.40 117.51 114.94 2kzr h ILE 33 Ca -0.31 -0.42 0.00 0.00 -0.39 0.00 0.00 64.86 63.74 2kzr h ILE 33 Cb 2.02 0.00 0.00 0.00 -3.07 0.00 0.00 36.82 35.77 2kzr h ILE 33 CO 0.08 0.00 -1.08 1.07 -0.69 0.00 0.00 178.15 177.53 2kzr n THR 34 N -3.24 0.00 0.00 -0.27 5.66 -0.38 -5.00 114.28 111.04 2kzr n THR 34 Ca -0.00 -0.12 0.00 0.00 -3.05 0.00 0.00 64.05 60.88 2kzr n THR 34 Cb 0.01 0.83 0.00 0.00 -1.55 0.00 0.00 70.33 69.63 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 1.44 3.01 3.67 1.09 0.00 -0.90 -4.85 105.19 108.64 2kzr n GLY 35 Ca 0.02 0.00 -0.42 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 -2.73 3.53 0.39 -0.61 -1.09 -1.25 -1.65 121.20 117.80 2kzr s ILE 36 Ca 0.00 0.75 -0.27 0.00 -2.23 0.00 0.00 60.65 58.90 2kzr s ILE 36 Cb 0.00 -3.48 -0.11 0.00 -1.58 0.00 0.00 42.46 37.29 2kzr s ILE 36 CO 0.00 -0.05 1.36 0.00 -1.23 0.00 0.00 174.94 175.02 2kzr n ALA 37 N 6.63 1.70 0.10 9.38 0.00 -1.26 -3.28 120.51 133.78 2kzr n ALA 37 Ca 0.16 0.31 0.17 0.00 0.00 0.00 0.00 53.44 54.08 2kzr n ALA 37 Cb 0.43 -2.32 0.72 0.00 0.00 0.00 0.00 19.45 18.27 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 2.46 0.00 -0.65 0.00 0.13 -1.79 0.28 132.00 132.44 2kzr h PRO 38 Ca -0.49 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.64 2kzr h PRO 38 Cb 1.27 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.40 2kzr h PRO 38 CO 0.62 0.00 0.00 0.41 -0.23 0.00 0.00 178.00 178.80 2kzr n GLY 39 N -1.55 1.61 0.00 1.56 0.00 -1.26 -3.50 105.19 102.04 2kzr n GLY 39 Ca 0.05 -0.40 0.00 0.00 0.00 0.00 0.00 46.02 45.68 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 0.35 0.48 -4.29 1.61 7.64 0.07 -4.90 113.62 114.57 2kzr n SER 40 Ca 0.12 -0.32 -0.20 0.00 1.01 0.00 0.00 58.87 59.48 2kzr n SER 40 Cb 0.54 0.74 -0.11 0.00 -1.01 0.00 0.00 64.21 64.37 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 -0.84 1.17 0.19 1.43 -2.07 -1.08 -1.09 119.66 117.37 2kzr s GLN 41 Ca 0.00 -1.36 -0.04 0.00 -1.82 0.00 0.00 55.36 52.15 2kzr s GLN 41 Cb 0.00 -1.11 -0.03 0.00 -1.09 0.00 0.00 33.01 30.78 2kzr s GLN 41 CO 0.00 0.22 0.19 -0.98 -1.32 0.00 0.00 175.29 173.40 2kzr s ARG 42 N -2.85 1.20 -0.61 9.60 3.03 -1.26 -4.86 118.95 123.20 2kzr s ARG 42 Ca 0.13 -1.47 -0.28 0.00 2.03 0.00 0.00 55.73 56.15 2kzr s ARG 42 Cb -0.05 0.31 0.03 0.00 -1.03 0.00 0.00 34.95 34.22 2kzr s ARG 42 CO 0.05 -0.41 1.20 0.42 -1.13 0.00 0.00 175.30 175.43 2kzr s ILE 43 N -4.09 3.98 0.10 4.99 -1.09 -0.91 -4.61 121.20 119.57 2kzr s ILE 43 Ca 0.30 0.79 0.10 0.00 -2.23 0.00 0.00 60.65 59.61 2kzr s ILE 43 Cb 0.05 -4.76 -0.04 0.00 -1.58 0.00 0.00 42.46 36.14 2kzr s ILE 43 CO 0.08 -1.43 -0.26 -0.76 -1.23 0.00 0.00 174.94 171.34 2kzr s LEU 44 N 5.06 2.26 0.17 2.97 1.43 -1.26 -2.55 118.68 126.77 2kzr s LEU 44 Ca 0.41 -0.68 0.04 0.00 -1.03 0.00 0.00 54.13 52.86 2kzr s LEU 44 Cb -0.08 -1.18 -0.05 0.00 0.03 0.00 0.00 46.19 44.92 2kzr s LEU 44 CO 0.23 0.19 -0.06 0.68 0.23 0.00 0.00 176.35 177.62 2kzr s VAL 45 N -0.98 1.03 0.22 -1.59 -7.23 -1.26 -1.00 120.40 109.59 2kzr s VAL 45 Ca 0.12 -2.03 -0.08 0.00 -1.81 0.00 0.00 61.98 58.17 2kzr s VAL 45 Cb -0.10 -1.99 0.18 0.00 0.56 0.00 0.00 36.38 35.03 2kzr s VAL 45 CO 0.04 -0.62 1.87 1.23 -0.31 0.00 0.00 175.10 177.31 2kzr h GLY 46 N 2.71 1.15 -1.49 2.32 0.00 -1.93 -3.40 103.07 102.44 2kzr h GLY 46 Ca -0.37 -0.38 -0.50 0.00 0.00 0.00 0.00 47.33 46.08 2kzr h GLY 46 CO 0.64 0.33 0.39 -2.52 0.00 0.00 0.00 176.54 175.37 2kzr s TYR 47 N -6.11 3.35 -0.61 5.60 -0.85 -1.26 -4.93 117.35 112.54 2kzr s TYR 47 Ca -0.13 1.40 -0.40 0.00 -0.52 0.00 0.00 57.07 57.42 2kzr s TYR 47 Cb 0.16 -2.82 -0.19 0.00 0.38 0.00 0.00 41.96 39.49 2kzr s TYR 47 CO 0.78 -0.84 2.23 -2.30 -1.52 0.00 0.00 175.55 173.90 2kzr n PRO 48 N -2.52 0.00 -2.60 -3.49 -0.02 -1.26 -4.96 135.00 120.15 2kzr n PRO 48 Ca 0.07 0.00 -0.29 0.00 -2.02 0.00 0.00 63.50 61.26 2kzr n PRO 48 Cb 0.54 -1.47 -0.01 0.00 -0.02 0.00 0.00 33.50 32.54 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 6.60 3.62 0.00 0.52 0.04 -1.26 -4.95 135.00 139.57 2kzr s PRO 49 Ca 1.22 0.35 0.21 0.00 0.04 0.00 0.00 61.00 62.81 2kzr s PRO 49 Cb -1.42 -2.34 0.53 0.00 0.04 0.00 0.00 34.50 31.31 2kzr s PRO 49 CO 0.61 -0.21 1.45 0.39 0.04 0.00 0.00 177.00 179.28 2kzr n GLU 50 N -2.06 2.64 -3.22 4.56 1.02 -1.26 -4.99 120.64 117.33 2kzr n GLU 50 Ca 0.02 -2.45 -0.06 0.00 -0.02 0.00 0.00 57.16 54.64 2kzr n GLU 50 Cb 0.55 -1.51 0.01 0.00 -0.02 0.00 0.00 31.44 30.47 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 -4.37 3.83 0.46 0.00 1.02 -1.06 -4.92 118.68 113.65 2kzr s LEU 52 Ca 0.06 0.88 -0.12 0.00 0.02 0.00 0.00 54.13 54.97 2kzr s LEU 52 Cb -0.01 -3.55 -0.06 0.00 0.02 0.00 0.00 46.19 42.59 2kzr s LEU 52 CO 0.78 -1.01 0.85 1.51 0.02 0.00 0.00 176.35 178.50 2kzr s ASP 53 N 1.97 6.50 -0.47 2.29 -4.77 -1.26 -2.14 116.67 118.80 2kzr s ASP 53 Ca 0.47 1.26 0.03 0.00 -3.30 0.00 0.00 52.55 51.01 2kzr s ASP 53 Cb -0.11 -2.38 0.13 0.00 -1.09 0.00 0.00 42.92 39.47 2kzr s ASP 53 CO 0.21 -0.51 0.22 -0.76 0.70 0.00 0.00 175.17 175.03 2kzr s LEU 54 N -4.10 3.93 -0.10 2.11 1.02 -1.26 -4.97 118.68 115.32 2kzr s LEU 54 Ca 0.53 -2.76 -0.22 0.00 0.02 0.00 0.00 54.13 51.70 2kzr s LEU 54 Cb -0.10 -1.48 -0.28 0.00 0.02 0.00 0.00 46.19 44.35 2kzr s LEU 54 CO 0.34 -0.27 0.72 0.77 0.02 0.00 0.00 176.35 177.94 2kzr h SER 55 N 6.76 0.30 -3.41 2.29 4.64 -2.01 -3.45 113.55 118.67 2kzr h SER 55 Ca -0.06 -0.90 -0.53 0.00 -0.47 0.00 0.00 61.79 59.83 2kzr h SER 55 Cb 0.92 -0.10 -0.01 0.00 -0.31 0.00 0.00 62.40 62.90 2kzr h SER 55 CO 0.61 1.37 0.42 -0.62 -0.87 0.00 0.00 176.83 177.74 2kzr s ASP 56 N -6.80 7.32 0.50 4.97 2.15 -1.26 -4.96 116.67 118.58 2kzr s ASP 56 Ca -0.18 1.82 0.29 0.00 0.43 0.00 0.00 52.55 54.91 2kzr s ASP 56 Cb 0.01 -2.58 1.16 0.00 -0.30 0.00 0.00 42.92 41.22 2kzr s ASP 56 CO 0.76 -0.26 1.92 0.08 -0.17 0.00 0.00 175.17 177.49 2kzr h ARG 57 N 6.35 0.00 -0.02 4.34 -0.00 -2.01 -3.11 114.38 119.93 2kzr h ARG 57 Ca -0.42 0.00 0.00 0.00 -0.00 0.00 0.00 59.98 59.56 2kzr h ARG 57 Cb 1.22 0.00 0.00 0.00 -0.00 0.00 0.00 29.97 31.19 2kzr h ARG 57 CO 0.75 0.11 -0.13 -3.47 -0.00 0.00 0.00 179.97 177.23 2kzr n ASP 58 N -3.26 1.88 -4.68 0.08 2.03 -1.26 -2.90 116.55 108.43 2kzr n ASP 58 Ca 0.00 -1.50 -0.42 0.00 0.52 0.00 0.00 54.79 53.39 2kzr n ASP 58 Cb 0.36 0.11 -0.03 0.00 -0.72 0.00 0.00 41.12 40.84 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 -2.19 3.03 0.56 5.18 2.07 -1.18 -4.66 121.20 124.02 2kzr s ILE 59 Ca 0.29 0.41 0.04 0.00 -1.41 0.00 0.00 60.65 59.98 2kzr s ILE 59 Cb 0.20 -3.26 0.06 0.00 0.13 0.00 0.00 42.46 39.59 2kzr s ILE 59 CO 0.40 -0.01 0.78 0.42 -1.91 0.00 0.00 174.94 174.63 2kzr s THR 60 N 2.96 2.51 -0.91 4.00 -4.23 -1.26 -1.27 115.64 117.44 2kzr s THR 60 Ca 0.76 -0.80 0.15 0.00 -1.18 0.00 0.00 61.69 60.62 2kzr s THR 60 Cb -0.40 -2.72 0.13 0.00 1.34 0.00 0.00 72.50 70.85 2kzr s THR 60 CO 0.33 0.00 1.47 0.18 -0.54 0.00 0.00 174.62 176.06 2kzr n LEU 61 N -2.32 0.11 0.20 4.79 4.77 -0.33 -1.75 117.00 122.47 2kzr n LEU 61 Ca 0.11 0.53 0.04 0.00 -0.03 0.00 0.00 56.01 56.66 2kzr n LEU 61 Cb 0.60 -0.52 0.41 0.00 -2.33 0.00 0.00 43.42 41.58 2kzr n LEU 61 CO 0.42 -0.33 0.76 1.23 -1.33 0.00 0.00 177.39 178.14 2kzr h GLY 62 N 2.21 0.00 0.03 -0.72 0.00 -1.86 -3.33 103.07 99.41 2kzr h GLY 62 Ca 0.00 0.00 -0.20 0.00 0.00 0.00 0.00 47.33 47.13 2kzr h GLY 62 CO 0.00 0.00 -1.09 -0.55 0.00 0.00 0.00 176.54 174.90 2kzr h ASP 63 N 0.00 0.02 -4.01 0.19 3.32 -1.71 -3.48 116.42 110.75 2kzr h ASP 63 Ca -0.00 -0.60 -0.46 0.00 0.02 0.00 0.00 57.03 55.98 2kzr h ASP 63 Cb 0.63 -0.01 -0.01 0.00 0.22 0.00 0.00 39.33 40.16 2kzr h ASP 63 CO 0.04 1.43 0.29 -0.76 -1.72 0.00 0.00 179.24 178.52 2kzr s LEU 64 N -7.90 3.86 0.00 1.55 2.01 -1.11 -4.98 118.68 112.11 2kzr s LEU 64 Ca -0.27 1.53 -0.01 0.00 0.01 0.00 0.00 54.13 55.39 2kzr s LEU 64 Cb 0.05 -4.40 -0.07 0.00 0.01 0.00 0.00 46.19 41.78 2kzr s LEU 64 CO 0.61 -0.40 2.18 -0.81 1.01 0.00 0.00 176.35 178.94 2kzr n PRO 65 N -0.93 1.13 -2.76 1.29 -0.04 -1.26 -4.75 135.00 127.67 2kzr n PRO 65 Ca 0.06 -0.25 -0.43 0.00 -0.04 0.00 0.00 63.50 62.84 2kzr n PRO 65 Cb 0.54 -1.30 -0.03 0.00 -0.04 0.00 0.00 33.50 32.66 2kzr n PRO 65 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 2kzr s ILE 66 N 0.51 4.47 0.43 0.52 1.09 -1.26 -4.99 121.20 121.97 2kzr s ILE 66 Ca 0.16 1.11 0.07 0.00 -1.10 0.00 0.00 60.65 60.90 2kzr s ILE 66 Cb 0.08 -4.42 -0.03 0.00 -1.06 0.00 0.00 42.46 37.03 2kzr s ILE 66 CO 0.00 -0.71 0.30 -1.10 -0.10 0.00 0.00 174.94 173.33 2kzr s GLN 67 N 3.75 2.39 -0.44 2.79 -0.21 -1.26 -4.90 119.66 121.78 2kzr s GLN 67 Ca 0.40 -1.70 -0.27 0.00 0.02 0.00 0.00 55.36 53.81 2kzr s GLN 67 Cb -0.10 -2.20 -0.03 0.00 1.00 0.00 0.00 33.01 31.68 2kzr s GLN 67 CO 0.23 -0.20 1.89 -1.54 -2.12 0.00 0.00 175.29 173.56 2kzr s SER 68 N -4.05 5.52 0.00 5.90 1.04 -1.26 -2.14 113.70 118.71 2kzr s SER 68 Ca 0.44 0.97 0.00 0.00 0.48 0.00 0.00 55.95 57.84 2kzr s SER 68 Cb -0.00 -2.52 0.00 0.00 0.10 0.00 0.00 66.02 63.59 2kzr s SER 68 CO 0.25 -2.06 0.00 0.61 0.98 0.00 0.00 173.24 173.02 2kzr n GLY 69 N 5.58 0.46 3.85 7.32 0.00 -1.24 -5.02 105.19 116.14 2kzr n GLY 69 Ca 0.24 -0.96 -0.31 0.00 0.00 0.00 0.00 46.02 44.98 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 -2.88 5.70 -0.35 1.61 -1.08 -0.91 -4.70 116.67 114.05 2kzr s ASP 70 Ca 0.00 1.40 -0.11 0.00 -0.52 0.00 0.00 52.55 53.32 2kzr s ASP 70 Cb 0.00 -2.33 0.01 0.00 -1.46 0.00 0.00 42.92 39.14 2kzr s ASP 70 CO 0.00 -1.21 0.20 -0.32 0.52 0.00 0.00 175.17 174.36 2kzr s MET 71 N -5.18 3.05 -0.35 4.34 -2.45 -1.26 -1.46 119.30 115.99 2kzr s MET 71 Ca 0.57 -0.93 -0.12 0.00 -1.25 0.00 0.00 55.69 53.96 2kzr s MET 71 Cb -0.12 -3.69 -0.01 0.00 1.25 0.00 0.00 34.83 32.26 2kzr s MET 71 CO 0.54 -0.59 0.23 -0.51 1.05 0.00 0.00 175.02 175.74 2kzr s LEU 72 N 1.59 4.53 -0.82 4.11 2.01 -0.71 -2.71 118.68 126.68 2kzr s LEU 72 Ca 0.03 -0.53 -0.24 0.00 0.01 0.00 0.00 54.13 53.40 2kzr s LEU 72 Cb -0.18 -2.11 0.06 0.00 0.01 0.00 0.00 46.19 43.96 2kzr s LEU 72 CO 0.07 -0.26 1.24 -0.63 1.01 0.00 0.00 176.35 177.78 2kzr s ILE 73 N 1.69 4.02 -0.68 -0.59 1.09 -0.17 -0.95 121.20 125.60 2kzr s ILE 73 Ca 0.05 -0.30 -0.27 0.00 -1.10 0.00 0.00 60.65 59.03 2kzr s ILE 73 Cb -0.18 -4.89 0.02 0.00 -1.06 0.00 0.00 42.46 36.35 2kzr s ILE 73 CO 0.09 -1.76 1.33 -0.69 -0.10 0.00 0.00 174.94 173.82 2kzr s VAL 74 N 4.83 3.74 0.53 2.92 1.01 0.76 -4.06 120.40 130.15 2kzr s VAL 74 Ca 0.35 0.50 -0.15 0.00 0.00 0.00 0.00 61.98 62.68 2kzr s VAL 74 Cb -0.07 -4.75 -0.07 0.00 0.00 0.00 0.00 36.38 31.49 2kzr s VAL 74 CO 0.04 -1.61 0.99 -1.83 0.00 0.00 0.00 175.10 172.68 2kzr s GLU 75 N 5.70 3.86 -0.32 2.72 -1.05 -1.26 -4.05 118.70 124.30 2kzr s GLU 75 Ca 0.41 0.88 -0.06 0.00 -0.15 0.00 0.00 54.97 56.05 2kzr s GLU 75 Cb -0.09 -2.14 0.03 0.00 -0.44 0.00 0.00 34.13 31.50 2kzr s GLU 75 CO 0.18 -0.33 0.08 -2.00 0.95 0.00 0.00 175.26 174.15 2kzr s GLU 76 N -4.33 2.79 0.00 -4.83 2.12 -1.26 -3.84 118.70 109.35 2kzr s GLU 76 Ca 0.58 -1.06 0.18 0.00 0.36 0.00 0.00 54.97 55.02 2kzr s GLU 76 Cb -0.10 -3.40 0.82 0.00 0.26 0.00 0.00 34.13 31.71 2kzr s GLU 76 CO 0.37 -0.57 1.56 -3.47 -0.54 0.00 0.00 175.26 172.61 2kzr n ASP 77 N 4.82 0.00 -2.18 -1.70 2.03 -0.25 -4.90 116.55 114.37 2kzr n ASP 77 Ca -0.13 0.33 -0.13 0.00 0.52 0.00 0.00 54.79 55.37 2kzr n ASP 77 Cb 0.46 -0.42 0.04 0.00 -0.72 0.00 0.00 41.12 40.48 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 -1.42 -4.33 -1.00 -0.67 6.02 -1.26 -4.94 117.38 109.77 2kzr n GLN 78 Ca 0.06 0.45 -0.20 0.00 -0.01 0.00 0.00 57.00 57.30 2kzr n GLN 78 Cb 0.18 -4.34 0.14 0.00 1.02 0.00 0.00 30.24 27.25 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 -3.85 2.83 -1.52 5.09 -1.04 -1.26 -4.99 114.28 109.54 2kzr n THR 79 Ca 0.00 -1.63 0.00 0.00 -2.04 0.00 0.00 64.05 60.38 2kzr n THR 79 Cb 0.53 -0.64 0.00 0.00 -1.82 0.00 0.00 70.33 68.40 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 -0.78 -3.69 -1.71 -2.82 1.74 -1.26 -4.80 116.66 103.34 2kzr n ARG 80 Ca 0.48 2.78 -0.42 0.00 -0.77 0.00 0.00 57.85 59.92 2kzr n ARG 80 Cb 1.36 -2.80 -0.03 0.00 -1.02 0.00 0.00 32.46 29.97 2kzr n ARG 80 CO 0.00 0.00 0.00 -0.35 -1.52 0.00 0.00 177.63 175.76 2kzr n PRO 81 N 1.24 2.73 -2.47 5.56 -0.04 -1.26 -4.07 135.00 136.69 2kzr n PRO 81 Ca 0.00 0.99 -0.05 0.00 -0.04 0.00 0.00 63.50 64.40 2kzr n PRO 81 Cb 0.00 -2.84 -0.04 0.00 -0.04 0.00 0.00 33.50 30.58 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 4.24 -4.43 -0.90 0.54 5.02 -0.66 -4.80 118.16 117.19 2kzr n LYS 82 Ca 0.16 3.34 0.05 0.00 -2.02 0.00 0.00 58.31 59.85 2kzr n LYS 82 Cb 0.35 -4.75 0.13 0.00 -0.02 0.00 0.00 35.03 30.73 2kzr n LYS 82 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2kzr n ALA 83 N 1.62 3.03 -3.77 7.82 0.00 -1.26 -4.93 120.51 123.02 2kzr n ALA 83 Ca -0.33 -2.82 -0.07 0.00 0.00 0.00 0.00 53.44 50.22 2kzr n ALA 83 Cb 0.52 -0.50 -0.02 0.00 0.00 0.00 0.00 19.45 19.45 2kzr n ALA 83 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 2kzr s SER 84 N -2.67 -0.28 0.36 0.00 1.04 -1.26 -5.03 113.70 105.86 2kzr s SER 84 Ca 0.35 -0.47 0.27 0.00 0.48 0.00 0.00 55.95 56.57 2kzr s SER 84 Cb 0.36 0.65 1.22 0.00 0.10 0.00 0.00 66.02 68.35 2kzr s SER 84 CO -0.10 -1.19 1.27 -2.65 0.98 0.00 0.00 173.24 171.55 2kzr n PRO 85 N -0.45 -0.03 0.00 4.02 -0.02 -1.26 -5.10 135.00 132.17 2kzr n PRO 85 Ca -0.06 1.01 0.00 0.00 -2.02 0.00 0.00 63.50 62.43 2kzr n PRO 85 Cb 0.60 -2.01 0.00 0.00 -0.02 0.00 0.00 33.50 32.07 2kzr n PRO 85 CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35