#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kzc n MET 2 N 0.00 -2.93 0.00 1.61 0.00 -1.26 -4.80 117.12 109.74 2kzc n MET 2 Ca 0.00 0.39 0.00 0.00 0.00 0.00 0.00 57.70 58.09 2kzc n MET 2 Cb 0.00 -5.04 0.00 0.00 0.00 0.00 0.00 33.22 28.18 2kzc n MET 2 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 175.97 177.01 2kzc n GLN 3 N -3.47 1.92 0.02 0.03 1.13 -1.26 -4.49 117.38 111.26 2kzc n GLN 3 Ca -0.02 -0.03 0.00 0.00 -1.94 0.00 0.00 57.00 55.01 2kzc n GLN 3 Cb 0.54 -0.26 0.00 0.00 0.11 0.00 0.00 30.24 30.63 2kzc n GLN 3 CO 0.00 0.00 0.00 1.19 -1.44 0.00 0.00 177.06 176.81 2kzc n PHE 4 N -0.28 -0.12 -0.19 1.08 3.01 -1.26 -4.21 117.46 115.48 2kzc n PHE 4 Ca 0.00 0.02 -0.02 0.00 1.01 0.00 0.00 57.45 58.46 2kzc n PHE 4 Cb 0.03 0.09 0.08 0.00 -0.01 0.00 0.00 39.48 39.67 2kzc n PHE 4 CO 0.00 0.00 0.00 0.87 1.01 0.00 0.00 176.76 178.64 2kzc h LYS 5 N 0.00 0.51 -0.41 -1.08 1.79 -1.97 -1.01 116.57 114.39 2kzc h LYS 5 Ca 0.00 -0.03 -0.04 0.00 -2.18 0.00 0.00 60.65 58.40 2kzc h LYS 5 Cb 0.61 -0.11 -0.02 0.00 -1.58 0.00 0.00 32.23 31.13 2kzc h LYS 5 CO 0.00 0.34 0.11 0.00 -1.08 0.00 0.00 179.45 178.82 2kzc h ALA 6 N 1.34 0.54 0.42 3.86 0.00 -1.85 -3.17 119.26 120.38 2kzc h ALA 6 Ca 0.27 -0.18 -0.01 0.00 0.00 0.00 0.00 54.91 54.99 2kzc h ALA 6 Cb 0.22 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 17.83 2kzc h ALA 6 CO -0.21 0.20 -0.48 0.93 0.00 0.00 0.00 179.25 179.70 2kzc h GLU 7 N 0.52 -0.88 -0.90 0.00 5.08 -1.53 -0.89 114.58 115.97 2kzc h GLU 7 Ca 0.13 0.06 0.15 0.00 -1.00 0.00 0.00 59.36 58.70 2kzc h GLU 7 Cb 0.29 0.20 -0.07 0.00 0.50 0.00 0.00 28.75 29.67 2kzc h GLU 7 CO -0.00 -0.59 0.58 0.00 -1.00 0.00 0.00 179.01 178.00 2kzc h ALA 8 N -0.68 1.86 -0.08 3.43 0.00 -1.28 -0.00 119.26 122.51 2kzc h ALA 8 Ca -0.04 0.02 -0.22 0.00 0.00 0.00 0.00 54.91 54.66 2kzc h ALA 8 Cb 0.82 -0.11 0.01 0.00 0.00 0.00 0.00 17.79 18.51 2kzc h ALA 8 CO -0.10 -0.11 -0.82 -0.09 0.00 0.00 0.00 179.25 178.13 2kzc h ARG 9 N 0.67 0.70 -0.16 0.00 9.65 -1.47 -0.18 114.38 123.59 2kzc h ARG 9 Ca 0.46 -0.64 0.05 0.00 -1.10 0.00 0.00 59.98 58.74 2kzc h ARG 9 Cb 0.78 0.16 -0.05 0.00 -1.39 0.00 0.00 29.97 29.47 2kzc h ARG 9 CO -0.21 1.24 -0.15 -0.09 2.80 0.00 0.00 179.97 183.56 2kzc h ARG 10 N 0.38 -0.16 -0.35 0.20 1.12 0.29 -1.22 114.38 114.63 2kzc h ARG 10 Ca -0.08 0.01 -0.08 0.00 -1.11 0.00 0.00 59.98 58.72 2kzc h ARG 10 Cb 1.47 0.04 -0.01 0.00 -0.01 0.00 0.00 29.97 31.45 2kzc h ARG 10 CO 0.17 -0.11 -0.09 -0.91 -3.11 0.00 0.00 179.97 175.92 2kzc h ASN 11 N -0.17 0.69 0.20 -3.80 4.21 -1.09 -3.12 115.58 112.50 2kzc h ASN 11 Ca 0.10 -0.37 0.01 0.00 1.21 0.00 0.00 56.30 57.26 2kzc h ASN 11 Cb 0.32 -0.19 -0.04 0.00 -1.12 0.00 0.00 38.32 37.29 2kzc h ASN 11 CO -0.26 0.89 -0.41 0.50 -1.29 0.00 0.00 177.43 176.86 2kzc h LYS 12 N 0.47 -0.68 -0.99 0.81 3.64 -0.73 -2.90 116.57 116.20 2kzc h LYS 12 Ca 0.09 0.05 0.15 0.00 -1.27 0.00 0.00 60.65 59.66 2kzc h LYS 12 Cb 0.60 0.15 -0.09 0.00 -0.41 0.00 0.00 32.23 32.48 2kzc h LYS 12 CO 0.04 -0.45 0.62 -0.07 -2.27 0.00 0.00 179.45 177.31 2kzc h LEU 13 N -0.70 0.83 0.42 5.20 3.38 -1.18 -2.17 115.31 121.09 2kzc h LEU 13 Ca 0.00 0.06 -0.01 0.00 0.09 0.00 0.00 57.88 58.03 2kzc h LEU 13 Cb 0.70 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 41.34 2kzc h LEU 13 CO -0.19 0.39 -0.28 -0.03 0.09 0.00 0.00 178.44 178.42 2kzc h MET 14 N 0.86 -0.65 -0.22 1.13 4.05 -1.46 -2.98 114.93 115.67 2kzc h MET 14 Ca 0.52 0.04 0.04 0.00 -0.28 0.00 0.00 59.70 60.02 2kzc h MET 14 Cb 0.68 0.15 -0.01 0.00 -0.80 0.00 0.00 31.60 31.62 2kzc h MET 14 CO -0.29 -0.43 0.15 0.78 0.23 0.00 0.00 176.91 177.35 2kzc h GLY 15 N -0.67 0.14 0.98 1.39 0.00 -1.35 0.31 103.07 103.87 2kzc h GLY 15 Ca -0.04 -0.05 -0.04 0.00 0.00 0.00 0.00 47.33 47.20 2kzc h GLY 15 CO 0.03 0.04 0.18 1.41 0.00 0.00 0.00 176.54 178.20 2kzc h LEU 16 N 0.12 0.76 -0.02 3.11 -0.00 -1.43 0.06 115.31 117.92 2kzc h LEU 16 Ca 0.10 -0.20 -0.00 0.00 -0.00 0.00 0.00 57.88 57.78 2kzc h LEU 16 Cb 0.24 -0.20 -0.00 0.00 -0.00 0.00 0.00 40.66 40.70 2kzc h LEU 16 CO -0.01 0.75 0.01 -0.25 -0.00 0.00 0.00 178.44 178.93 2kzc h TRP 17 N 0.72 0.02 -0.36 1.13 7.01 -0.90 -1.04 115.95 122.54 2kzc h TRP 17 Ca 0.17 -0.00 0.06 0.00 2.11 0.00 0.00 58.89 61.23 2kzc h TRP 17 Cb 0.25 -0.01 -0.05 0.00 -2.10 0.00 0.00 29.16 27.25 2kzc h TRP 17 CO 0.01 0.18 0.04 0.28 -2.79 0.00 0.00 178.44 176.16 2kzc h VAL 18 N -0.14 0.78 -0.17 2.65 2.07 -1.04 0.67 116.25 121.08 2kzc h VAL 18 Ca 0.01 -0.05 0.03 0.00 0.82 0.00 0.00 66.70 67.51 2kzc h VAL 18 Cb 0.16 0.61 -0.03 0.00 -1.52 0.00 0.00 31.29 30.52 2kzc h VAL 18 CO -0.00 0.03 -0.05 0.00 0.02 0.00 0.00 177.57 177.57 2kzc h ALA 19 N 1.29 0.11 -0.75 1.67 0.00 -0.96 0.62 119.26 121.24 2kzc h ALA 19 Ca 0.17 0.07 0.03 0.00 0.00 0.00 0.00 54.91 55.18 2kzc h ALA 19 Cb 0.22 0.14 -0.05 0.00 0.00 0.00 0.00 17.79 18.10 2kzc h ALA 19 CO -0.26 -0.48 0.47 1.49 0.00 0.00 0.00 179.25 180.47 2kzc h GLU 20 N -0.01 0.88 -0.68 0.00 4.81 -0.29 0.53 114.58 119.82 2kzc h GLU 20 Ca 0.08 -0.05 -0.03 0.00 -0.13 0.00 0.00 59.36 59.23 2kzc h GLU 20 Cb 0.13 -0.20 -0.03 0.00 0.63 0.00 0.00 28.75 29.28 2kzc h GLU 20 CO -0.18 0.58 0.30 0.28 -0.73 0.00 0.00 179.01 179.27 2kzc h VAL 21 N 0.91 1.23 0.00 0.32 2.07 -0.65 -2.29 116.25 117.85 2kzc h VAL 21 Ca 0.30 -0.69 -0.01 0.00 0.82 0.00 0.00 66.70 67.12 2kzc h VAL 21 Cb 0.04 0.43 -0.00 0.00 -1.52 0.00 0.00 31.29 30.23 2kzc h VAL 21 CO -0.12 0.28 -0.04 -0.07 0.02 0.00 0.00 177.57 177.64 2kzc h LEU 22 N 0.95 0.00 0.00 2.57 3.38 0.17 -3.46 115.31 118.92 2kzc h LEU 22 Ca 0.23 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.20 2kzc h LEU 22 Cb 0.16 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.91 2kzc h LEU 22 CO -0.02 0.04 0.00 0.61 0.09 0.00 0.00 178.44 179.16 2kzc n GLY 23 N -1.16 0.55 3.77 0.83 0.00 -0.54 -5.07 105.19 103.57 2kzc n GLY 23 Ca -0.03 -0.34 -0.32 0.00 0.00 0.00 0.00 46.02 45.33 2kzc n GLY 23 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2kzc s LYS 24 N -0.72 2.57 0.36 1.61 1.02 0.07 -5.00 119.74 119.66 2kzc s LYS 24 Ca 0.00 1.33 -0.11 0.00 0.02 0.00 0.00 55.97 57.21 2kzc s LYS 24 Cb 0.00 -1.93 0.04 0.00 -0.52 0.00 0.00 37.83 35.43 2kzc s LYS 24 CO 0.00 -1.42 0.68 -1.13 -0.92 0.00 0.00 175.35 172.56 2kzc n SER 25 N -2.82 -1.96 0.00 2.83 3.41 -1.26 -3.83 113.62 110.00 2kzc n SER 25 Ca 0.10 -2.58 0.00 0.00 -0.26 0.00 0.00 58.87 56.13 2kzc n SER 25 Cb 0.52 3.33 0.00 0.00 -0.26 0.00 0.00 64.21 67.80 2kzc n SER 25 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2kzc n GLY 26 N -0.52 2.16 0.09 5.00 0.00 -1.26 -1.07 105.19 109.59 2kzc n GLY 26 Ca -0.06 0.40 -0.06 0.00 0.00 0.00 0.00 46.02 46.30 2kzc n GLY 26 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2kzc n ASP 27 N 8.40 0.71 -0.32 1.61 9.92 -1.26 -4.04 116.55 131.57 2kzc n ASP 27 Ca 0.00 0.33 0.01 0.00 -0.53 0.00 0.00 54.79 54.60 2kzc n ASP 27 Cb 0.00 0.23 0.14 0.00 -0.64 0.00 0.00 41.12 40.85 2kzc n ASP 27 CO 0.00 0.00 0.00 -0.33 0.13 0.00 0.00 177.20 177.00 2kzc h GLU 28 N 0.00 1.01 -0.50 -1.24 5.08 -1.51 0.10 114.58 117.53 2kzc h GLU 28 Ca -0.28 -0.06 -0.07 0.00 -1.00 0.00 0.00 59.36 57.95 2kzc h GLU 28 Cb 1.88 -0.23 -0.02 0.00 0.50 0.00 0.00 28.75 30.88 2kzc h GLU 28 CO 0.06 0.67 0.04 0.00 -1.00 0.00 0.00 179.01 178.78 2kzc h ALA 29 N 1.41 1.13 0.13 3.43 0.00 -1.54 -0.54 119.26 123.28 2kzc h ALA 29 Ca 0.38 -0.25 -0.28 0.00 0.00 0.00 0.00 54.91 54.77 2kzc h ALA 29 Cb 0.13 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 17.72 2kzc h ALA 29 CO -0.16 0.56 -1.25 -0.91 0.00 0.00 0.00 179.25 177.50 2kzc h ASN 30 N 0.76 0.43 0.22 0.00 2.35 -1.46 -2.15 115.58 115.73 2kzc h ASN 30 Ca 0.15 -0.46 -0.01 0.00 -0.55 0.00 0.00 56.30 55.43 2kzc h ASN 30 Cb 0.41 -0.14 0.00 0.00 0.05 0.00 0.00 38.32 38.64 2kzc h ASN 30 CO 0.01 1.36 -0.11 0.00 -1.65 0.00 0.00 177.43 177.05 2kzc h ALA 31 N 0.58 -0.30 -0.75 -0.83 0.00 -0.82 -3.18 119.26 113.96 2kzc h ALA 31 Ca -0.14 -0.11 0.12 0.00 0.00 0.00 0.00 54.91 54.79 2kzc h ALA 31 Cb 1.98 0.12 -0.05 0.00 0.00 0.00 0.00 17.79 19.83 2kzc h ALA 31 CO 0.20 -0.62 0.49 -0.92 0.00 0.00 0.00 179.25 178.41 2kzc h TYR 32 N -0.41 0.61 0.00 0.00 3.20 -1.00 -0.39 116.97 118.99 2kzc h TYR 32 Ca -0.03 0.02 0.00 0.00 3.14 0.00 0.00 58.73 61.86 2kzc h TYR 32 Cb 0.31 -0.20 0.00 0.00 1.54 0.00 0.00 36.73 38.38 2kzc h TYR 32 CO -0.03 0.27 0.00 0.00 -1.64 0.00 0.00 178.16 176.75 2kzc n ALA 33 N -2.48 1.62 -0.03 1.82 0.00 -0.82 -2.21 120.51 118.40 2kzc n ALA 33 Ca 0.13 -0.04 -0.19 0.00 0.00 0.00 0.00 53.44 53.34 2kzc n ALA 33 Cb 0.42 -1.13 -0.13 0.00 0.00 0.00 0.00 19.45 18.61 2kzc n ALA 33 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2kzc h ALA 34 N 2.41 0.09 -0.80 0.00 0.00 -1.18 -3.35 119.26 116.42 2kzc h ALA 34 Ca 0.00 -0.85 0.15 0.00 0.00 0.00 0.00 54.91 54.21 2kzc h ALA 34 Cb 0.05 0.31 -0.10 0.00 0.00 0.00 0.00 17.79 18.05 2kzc h ALA 34 CO 0.00 0.45 0.36 0.93 0.00 0.00 0.00 179.25 180.99 2kzc h GLU 35 N -0.69 0.50 -0.26 0.00 5.08 -1.60 -2.43 114.58 115.18 2kzc h GLU 35 Ca -0.18 -0.03 -0.05 0.00 -1.00 0.00 0.00 59.36 58.09 2kzc h GLU 35 Cb 1.39 -0.11 -0.01 0.00 0.50 0.00 0.00 28.75 30.52 2kzc h GLU 35 CO -0.00 0.33 -0.07 0.28 -1.00 0.00 0.00 179.01 178.55 2kzc h VAL 36 N 0.51 1.19 0.02 3.13 2.07 -1.72 -1.06 116.25 120.40 2kzc h VAL 36 Ca 0.44 -0.81 -0.00 0.00 0.82 0.00 0.00 66.70 67.15 2kzc h VAL 36 Cb 0.67 1.07 0.00 0.00 -1.52 0.00 0.00 31.29 31.51 2kzc h VAL 36 CO -0.39 0.27 -0.01 0.58 0.02 0.00 0.00 177.57 178.03 2kzc h VAL 37 N 0.39 1.11 0.00 2.57 2.07 -1.58 -3.40 116.25 117.41 2kzc h VAL 37 Ca 0.08 -0.39 -0.61 0.00 0.82 0.00 0.00 66.70 66.60 2kzc h VAL 37 Cb 0.37 1.37 0.04 0.00 -1.52 0.00 0.00 31.29 31.55 2kzc h VAL 37 CO 0.02 0.10 2.38 1.17 0.02 0.00 0.00 177.57 181.26 2kzc n LYS 38 N -5.02 1.64 0.00 1.57 4.81 -0.40 -3.60 118.16 117.16 2kzc n LYS 38 Ca -0.08 -1.80 0.00 0.00 -0.87 0.00 0.00 58.31 55.56 2kzc n LYS 38 Cb 0.11 -2.85 0.00 0.00 0.02 0.00 0.00 35.03 32.31 2kzc n LYS 38 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 2kzc n ALA 39 N 6.88 0.68 -1.93 3.14 0.00 -1.26 -4.96 120.51 123.06 2kzc n ALA 39 Ca 0.49 0.00 -0.32 0.00 0.00 0.00 0.00 53.44 53.61 2kzc n ALA 39 Cb 0.36 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.77 2kzc n ALA 39 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 2kzc s ASP 40 N -2.15 4.98 0.00 0.00 2.15 -1.24 -4.31 116.67 116.10 2kzc s ASP 40 Ca 0.00 0.06 0.00 0.00 0.43 0.00 0.00 52.55 53.04 2kzc s ASP 40 Cb 0.00 -2.54 0.00 0.00 -0.30 0.00 0.00 42.92 40.08 2kzc s ASP 40 CO 0.00 -2.72 0.00 0.49 -0.17 0.00 0.00 175.17 172.77 2kzc n PHE 41 N 14.18 0.00 -0.06 -5.34 3.72 -1.26 -5.02 117.46 123.67 2kzc n PHE 41 Ca 0.32 0.00 -0.10 0.00 -0.05 0.00 0.00 57.45 57.62 2kzc n PHE 41 Cb 0.50 0.00 -0.05 0.00 -0.94 0.00 0.00 39.48 38.99 2kzc n PHE 41 CO 0.00 0.00 0.00 -0.85 -0.05 0.00 0.00 176.76 175.86 2kzc n GLU 42 N -1.10 0.29 -2.85 -1.08 0.28 -1.26 -4.89 120.64 110.03 2kzc n GLU 42 Ca 0.00 0.08 -0.32 0.00 -0.16 0.00 0.00 57.16 56.76 2kzc n GLU 42 Cb 0.00 -1.17 -0.05 0.00 1.43 0.00 0.00 31.44 31.65 2kzc n GLU 42 CO 0.00 0.00 0.00 -1.21 -0.16 0.00 0.00 177.13 175.76 2kzc s GLU 43 N -2.24 3.98 -0.68 3.44 2.02 -1.26 -5.02 118.70 118.94 2kzc s GLU 43 Ca -0.17 0.77 0.02 0.00 0.02 0.00 0.00 54.97 55.61 2kzc s GLU 43 Cb 0.05 -2.31 0.37 0.00 0.10 0.00 0.00 34.13 32.34 2kzc s GLU 43 CO 0.26 -0.02 1.43 0.00 0.02 0.00 0.00 175.26 176.96 2kzc n ALA 44 N -0.92 5.54 -2.70 5.21 0.00 -1.26 -4.88 120.51 121.49 2kzc n ALA 44 Ca 0.05 -4.41 0.00 0.00 0.00 0.00 0.00 53.44 49.08 2kzc n ALA 44 Cb 0.54 -1.24 0.00 0.00 0.00 0.00 0.00 19.45 18.75 2kzc n ALA 44 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2kzc n GLY 45 N -0.38 5.10 2.73 0.00 0.00 -1.26 -5.12 105.19 106.27 2kzc n GLY 45 Ca 0.42 -0.67 -0.06 0.00 0.00 0.00 0.00 46.02 45.72 2kzc n GLY 45 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 173.32 170.93 2kzc n HIS 46 N 0.00 -2.71 0.00 1.61 1.44 -1.26 -4.99 115.22 109.30 2kzc n HIS 46 Ca 0.00 -1.41 0.00 0.00 -2.01 0.00 0.00 57.72 54.30 2kzc n HIS 46 Cb 0.00 1.43 0.00 0.00 0.12 0.00 0.00 29.99 31.54 2kzc n HIS 46 CO 0.00 0.00 0.00 0.39 -2.81 0.00 0.00 176.34 173.92 2kzc n GLU 47 N 1.88 0.00 -0.13 -1.40 4.71 -1.26 -4.63 120.64 119.80 2kzc n GLU 47 Ca 0.09 0.00 -0.07 0.00 -0.01 0.00 0.00 57.16 57.17 2kzc n GLU 47 Cb 0.64 -0.30 0.01 0.00 -1.01 0.00 0.00 31.44 30.77 2kzc n GLU 47 CO 0.00 0.00 0.00 0.22 0.09 0.00 0.00 177.13 177.44 2kzc h ASP 48 N 0.00 0.45 -0.38 1.62 3.58 -1.95 0.00 116.42 119.75 2kzc h ASP 48 Ca 0.00 -0.01 0.08 0.00 0.42 0.00 0.00 57.03 57.52 2kzc h ASP 48 Cb 0.56 -0.10 -0.02 0.00 1.72 0.00 0.00 39.33 41.49 2kzc h ASP 48 CO 0.00 0.32 0.26 0.58 -2.88 0.00 0.00 179.24 177.53 2kzc h VAL 49 N 0.54 0.90 0.00 2.25 2.07 -1.88 -1.05 116.25 119.08 2kzc h VAL 49 Ca 0.16 -0.06 -0.05 0.00 0.82 0.00 0.00 66.70 67.57 2kzc h VAL 49 Cb -0.04 0.71 0.00 0.00 -1.52 0.00 0.00 31.29 30.45 2kzc h VAL 49 CO -0.05 0.03 -0.19 0.24 0.02 0.00 0.00 177.57 177.62 2kzc h MET 50 N 0.17 0.13 -0.82 1.57 2.86 -1.31 -2.82 114.93 114.71 2kzc h MET 50 Ca 0.17 -0.14 0.13 0.00 -2.06 0.00 0.00 59.70 57.81 2kzc h MET 50 Cb 0.47 0.04 -0.09 0.00 0.06 0.00 0.00 31.60 32.08 2kzc h MET 50 CO -0.03 0.90 0.41 0.00 1.06 0.00 0.00 176.91 179.25 2kzc h ARG 51 N -0.59 0.60 -0.09 1.72 2.47 -0.83 -0.46 114.38 117.20 2kzc h ARG 51 Ca -0.02 -0.04 0.04 0.00 -1.26 0.00 0.00 59.98 58.70 2kzc h ARG 51 Cb 0.97 -0.13 -0.06 0.00 -1.65 0.00 0.00 29.97 29.10 2kzc h ARG 51 CO 0.04 0.40 -0.28 -0.22 0.56 0.00 0.00 179.97 180.46 2kzc h LYS 52 N 0.62 -0.36 0.04 0.04 3.11 -1.21 -3.09 116.57 115.71 2kzc h LYS 52 Ca 0.44 0.02 -0.22 0.00 -2.81 0.00 0.00 60.65 58.07 2kzc h LYS 52 Cb 0.58 0.08 -0.02 0.00 -1.00 0.00 0.00 32.23 31.88 2kzc h LYS 52 CO -0.34 -0.24 -1.05 -0.24 -2.81 0.00 0.00 179.45 174.77 2kzc h VAL 53 N -0.37 1.63 -0.20 2.00 3.04 -1.06 -3.23 116.25 118.06 2kzc h VAL 53 Ca 0.09 -3.22 -0.06 0.00 -1.01 0.00 0.00 66.70 62.50 2kzc h VAL 53 Cb 0.50 2.82 -0.01 0.00 -2.01 0.00 0.00 31.29 32.60 2kzc h VAL 53 CO -0.30 0.93 -0.11 -0.07 -1.01 0.00 0.00 177.57 177.01 2kzc h LEU 54 N 0.03 0.44 -1.24 3.16 -0.00 -1.10 -2.15 115.31 114.46 2kzc h LEU 54 Ca -0.05 -0.42 -0.07 0.00 -0.00 0.00 0.00 57.88 57.34 2kzc h LEU 54 Cb 1.78 -0.12 -0.01 0.00 -0.00 0.00 0.00 40.66 42.31 2kzc h LEU 54 CO 0.15 0.76 -0.24 1.23 -0.00 0.00 0.00 178.44 180.34 2kzc h GLY 55 N 0.12 0.23 0.85 0.83 0.00 -1.66 -3.15 103.07 100.29 2kzc h GLY 55 Ca 0.04 -0.17 -0.04 0.00 0.00 0.00 0.00 47.33 47.17 2kzc h GLY 55 CO 0.03 0.16 0.00 -0.55 0.00 0.00 0.00 176.54 176.18 2kzc h ASP 56 N 0.20 0.42 -0.02 0.19 5.19 -1.52 -3.28 116.42 117.60 2kzc h ASP 56 Ca 0.03 -0.31 0.01 0.00 -0.62 0.00 0.00 57.03 56.14 2kzc h ASP 56 Cb 0.55 -0.11 -0.00 0.00 0.18 0.00 0.00 39.33 39.94 2kzc h ASP 56 CO 0.04 0.62 0.02 -0.07 -3.12 0.00 0.00 179.24 176.73 2kzc h LEU 57 N 0.21 0.00 -0.10 1.55 3.38 -1.34 -3.46 115.31 115.54 2kzc h LEU 57 Ca 0.07 0.00 -0.25 0.00 0.09 0.00 0.00 57.88 57.79 2kzc h LEU 57 Cb 0.41 0.00 0.06 0.00 0.09 0.00 0.00 40.66 41.21 2kzc h LEU 57 CO 0.01 0.00 -0.39 -0.67 0.09 0.00 0.00 178.44 177.48 2kzc n ASP 58 N -4.08 -4.52 -0.25 -0.43 2.03 -1.24 -3.69 116.55 104.38 2kzc n ASP 58 Ca -0.03 -0.24 0.00 0.00 0.52 0.00 0.00 54.79 55.05 2kzc n ASP 58 Cb 0.11 -3.28 0.00 0.00 -0.72 0.00 0.00 41.12 37.23 2kzc n ASP 58 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2kzc n GLY 59 N -1.31 0.67 0.06 0.27 0.00 -1.26 -4.99 105.19 98.63 2kzc n GLY 59 Ca -0.04 -0.78 0.01 0.00 0.00 0.00 0.00 46.02 45.21 2kzc n GLY 59 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2kzc n LYS 60 N -0.75 0.67 -3.82 1.61 5.02 -1.24 -4.98 118.16 114.67 2kzc n LYS 60 Ca 0.00 -0.05 -0.12 0.00 -2.02 0.00 0.00 58.31 56.12 2kzc n LYS 60 Cb 0.50 -1.57 -0.10 0.00 -0.02 0.00 0.00 35.03 33.83 2kzc n LYS 60 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 2kzc s ARG 61 N -3.00 0.42 0.45 1.97 1.81 -1.26 -5.11 118.95 114.24 2kzc s ARG 61 Ca -0.08 -0.04 -0.24 0.00 -1.72 0.00 0.00 55.73 53.65 2kzc s ARG 61 Cb 0.10 0.19 -0.07 0.00 -0.45 0.00 0.00 34.95 34.71 2kzc s ARG 61 CO 0.86 -0.09 1.30 -1.25 -0.68 0.00 0.00 175.30 175.44 2kzc s PRO 62 N -0.70 3.71 0.37 3.54 0.04 -1.26 -4.80 135.00 135.89 2kzc s PRO 62 Ca -0.08 2.13 0.11 0.00 0.04 0.00 0.00 61.00 63.21 2kzc s PRO 62 Cb -0.04 -2.56 0.89 0.00 0.04 0.00 0.00 34.50 32.82 2kzc s PRO 62 CO 0.02 -0.70 1.85 1.49 0.04 0.00 0.00 177.00 179.70 2kzc h GLU 63 N 2.24 0.59 0.05 4.56 4.81 -2.01 -0.98 114.58 123.85 2kzc h GLU 63 Ca -0.50 -0.04 0.03 0.00 -0.13 0.00 0.00 59.36 58.72 2kzc h GLU 63 Cb 1.26 -0.13 -0.04 0.00 0.63 0.00 0.00 28.75 30.47 2kzc h GLU 63 CO 0.61 0.39 -0.26 0.00 -0.73 0.00 0.00 179.01 179.02 2kzc h ALA 64 N 1.61 -0.39 -0.37 2.92 0.00 -2.01 -1.46 119.26 119.57 2kzc h ALA 64 Ca 0.47 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 55.34 2kzc h ALA 64 Cb 0.88 0.44 -0.02 0.00 0.00 0.00 0.00 17.79 19.09 2kzc h ALA 64 CO -0.22 -0.78 0.17 1.49 0.00 0.00 0.00 179.25 179.92 2kzc h GLU 65 N -0.43 0.53 0.03 0.00 4.81 -1.64 -2.89 114.58 114.99 2kzc h GLU 65 Ca 0.05 -0.08 0.02 0.00 -0.13 0.00 0.00 59.36 59.22 2kzc h GLU 65 Cb 0.49 -0.09 -0.02 0.00 0.63 0.00 0.00 28.75 29.75 2kzc h GLU 65 CO -0.19 0.48 -0.14 0.28 -0.73 0.00 0.00 179.01 178.71 2kzc h VAL 66 N 0.45 0.67 -0.52 0.32 2.07 -0.85 0.12 116.25 118.51 2kzc h VAL 66 Ca 0.13 0.00 -0.06 0.00 0.82 0.00 0.00 66.70 67.58 2kzc h VAL 66 Cb 0.12 0.67 -0.02 0.00 -1.52 0.00 0.00 31.29 30.55 2kzc h VAL 66 CO -0.02 0.00 0.08 0.08 0.02 0.00 0.00 177.57 177.74 2kzc h ARG 67 N -0.25 0.87 -0.92 1.57 -0.00 -1.34 -3.00 114.38 111.31 2kzc h ARG 67 Ca 0.04 -0.23 0.04 0.00 -0.00 0.00 0.00 59.98 59.82 2kzc h ARG 67 Cb 0.29 -0.10 -0.05 0.00 -0.00 0.00 0.00 29.97 30.10 2kzc h ARG 67 CO -0.11 0.85 0.60 0.00 -0.00 0.00 0.00 179.97 181.31 2kzc h ALA 68 N 0.98 1.43 0.06 0.08 0.00 -1.18 0.70 119.26 121.32 2kzc h ALA 68 Ca 0.16 -0.04 0.03 0.00 0.00 0.00 0.00 54.91 55.05 2kzc h ALA 68 Cb 0.41 -0.32 -0.05 0.00 0.00 0.00 0.00 17.79 17.83 2kzc h ALA 68 CO 0.01 0.47 -0.39 -0.22 0.00 0.00 0.00 179.25 179.12 2kzc h LYS 69 N 1.13 -0.56 -0.05 0.00 1.63 -0.66 -0.84 116.57 117.21 2kzc h LYS 69 Ca 0.37 0.04 -0.01 0.00 -0.85 0.00 0.00 60.65 60.20 2kzc h LYS 69 Cb 0.05 0.13 -0.00 0.00 -0.60 0.00 0.00 32.23 31.80 2kzc h LYS 69 CO -0.12 -0.37 -0.00 -0.92 -3.45 0.00 0.00 179.45 174.59 2kzc h TYR 70 N -0.58 0.10 -0.48 1.91 3.20 -1.24 -2.55 116.97 117.34 2kzc h TYR 70 Ca 0.04 -0.02 -0.05 0.00 3.14 0.00 0.00 58.73 61.84 2kzc h TYR 70 Cb 0.64 -0.03 -0.02 0.00 1.54 0.00 0.00 36.73 38.86 2kzc h TYR 70 CO -0.37 0.39 0.08 0.93 -1.64 0.00 0.00 178.16 177.54 2kzc h GLU 71 N -0.21 0.73 0.00 1.82 5.08 -0.86 -2.00 114.58 119.13 2kzc h GLU 71 Ca 0.01 -0.16 -0.09 0.00 -1.00 0.00 0.00 59.36 58.13 2kzc h GLU 71 Cb 0.35 -0.11 -0.01 0.00 0.50 0.00 0.00 28.75 29.48 2kzc h GLU 71 CO 0.00 0.69 -0.42 0.78 -1.00 0.00 0.00 179.01 179.06 2kzc h GLY 72 N 0.93 0.00 2.00 -3.84 0.00 -1.15 -3.32 103.07 97.68 2kzc h GLY 72 Ca 0.15 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.48 2kzc h GLY 72 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 176.54 176.44 2kzc n LEU 73 N -3.58 0.37 -0.08 3.11 7.94 -0.75 -2.50 117.00 121.51 2kzc n LEU 73 Ca -0.00 0.61 -0.07 0.00 -1.11 0.00 0.00 56.01 55.44 2kzc n LEU 73 Cb 0.53 -0.59 -0.00 0.00 0.53 0.00 0.00 43.42 43.89 2kzc n LEU 73 CO 0.38 -0.54 0.85 -0.03 -1.11 0.00 0.00 177.39 176.94 2kzc h MET 74 N 0.00 0.07 -0.25 1.96 4.05 -1.68 0.18 114.93 119.25 2kzc h MET 74 Ca 0.00 -0.00 -0.07 0.00 -0.28 0.00 0.00 59.70 59.35 2kzc h MET 74 Cb 0.22 -0.02 -0.01 0.00 -0.80 0.00 0.00 31.60 31.00 2kzc h MET 74 CO 0.00 0.05 -0.12 0.00 0.23 0.00 0.00 176.91 177.07 2kzc h ALA 75 N 1.26 0.36 -0.25 0.39 0.00 -1.79 -2.09 119.26 117.14 2kzc h ALA 75 Ca 0.14 -0.31 -0.00 0.00 0.00 0.00 0.00 54.91 54.74 2kzc h ALA 75 Cb 0.19 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.88 2kzc h ALA 75 CO -0.24 0.22 0.14 0.28 0.00 0.00 0.00 179.25 179.65 2kzc h VAL 76 N 0.26 1.10 -0.50 0.00 2.07 -1.63 -1.81 116.25 115.75 2kzc h VAL 76 Ca 0.06 -0.26 -0.00 0.00 0.82 0.00 0.00 66.70 67.32 2kzc h VAL 76 Cb 0.62 0.82 -0.02 0.00 -1.52 0.00 0.00 31.29 31.19 2kzc h VAL 76 CO 0.04 0.10 0.31 0.00 0.02 0.00 0.00 177.57 178.03 2kzc h ALA 77 N 1.04 0.63 -0.11 1.67 0.00 -0.60 -1.76 119.26 120.13 2kzc h ALA 77 Ca 0.09 -0.06 -0.08 0.00 0.00 0.00 0.00 54.91 54.87 2kzc h ALA 77 Cb 0.03 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.61 2kzc h ALA 77 CO -0.02 0.11 -0.27 0.87 0.00 0.00 0.00 179.25 179.94 2kzc h LYS 78 N 0.66 0.20 0.16 0.00 1.57 -1.24 -1.99 116.57 115.94 2kzc h LYS 78 Ca 0.18 -0.07 0.00 0.00 -1.87 0.00 0.00 60.65 58.89 2kzc h LYS 78 Cb -0.03 -0.02 -0.01 0.00 0.08 0.00 0.00 32.23 32.26 2kzc h LYS 78 CO -0.03 0.47 -0.14 0.00 -0.57 0.00 0.00 179.45 179.17 2kzc h ALA 79 N 1.54 -0.30 -0.85 3.86 0.00 -0.62 -3.01 119.26 119.88 2kzc h ALA 79 Ca 0.03 -0.05 0.08 0.00 0.00 0.00 0.00 54.91 54.97 2kzc h ALA 79 Cb 0.58 0.20 -0.06 0.00 0.00 0.00 0.00 17.79 18.51 2kzc h ALA 79 CO 0.04 -0.68 0.55 1.96 0.00 0.00 0.00 179.25 181.12 2kzc h GLN 80 N -0.32 0.87 0.00 0.00 4.20 -0.61 0.70 115.11 119.95 2kzc h GLN 80 Ca -0.00 -0.05 -0.03 0.00 0.06 0.00 0.00 58.65 58.62 2kzc h GLN 80 Cb 0.30 -0.20 -0.00 0.00 0.30 0.00 0.00 27.48 27.88 2kzc h GLN 80 CO -0.03 0.58 -0.16 -0.07 -0.67 0.00 0.00 178.83 178.48 2kzc h LEU 81 N 0.90 0.00 0.10 1.46 3.38 -1.42 0.20 115.31 119.93 2kzc h LEU 81 Ca 0.37 0.00 -0.14 0.00 0.09 0.00 0.00 57.88 58.21 2kzc h LEU 81 Cb 0.29 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.05 2kzc h LEU 81 CO -0.14 0.16 -0.60 0.24 0.09 0.00 0.00 178.44 178.18 2kzc h MET 82 N 0.00 0.20 0.00 1.13 2.86 -1.06 -3.38 114.93 114.69 2kzc h MET 82 Ca -0.00 -0.35 0.00 0.00 -2.06 0.00 0.00 59.70 57.29 2kzc h MET 82 Cb 0.85 0.13 0.00 0.00 0.06 0.00 0.00 31.60 32.64 2kzc h MET 82 CO 0.02 1.17 0.00 0.22 1.06 0.00 0.00 176.91 179.38 2kzc h ASP 83 N -0.56 0.00 0.69 1.22 3.58 -0.80 -2.37 116.42 118.17 2kzc h ASP 83 Ca -0.11 0.00 -0.06 0.00 0.42 0.00 0.00 57.03 57.28 2kzc h ASP 83 Cb 1.45 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 42.49 2kzc h ASP 83 CO 0.10 0.00 -0.31 1.05 -2.88 0.00 0.00 179.24 177.20 2kzc h GLU 84 N 0.00 0.00 0.00 0.28 4.11 -0.76 -3.49 114.58 114.71 2kzc h GLU 84 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.43 2kzc h GLU 84 Cb 0.54 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.79 2kzc h GLU 84 CO 0.00 0.31 0.00 -0.11 0.07 0.00 0.00 179.01 179.28