#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 2.47 -0.13 1.61 -0.00 -1.26 -4.54 117.12 115.26 2kzc n MET 2 Ca 0.00 -1.47 -0.26 0.00 -0.00 0.00 0.00 57.70 55.97 2kzc n MET 2 Cb 0.00 -2.19 -0.10 0.00 -0.00 0.00 0.00 33.22 30.93 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 2.49 0.59 -0.09 3.17 3.00 -1.26 -4.15 117.38 121.12 2kzc n GLN 3 Ca 0.51 0.22 -0.18 0.00 -0.01 0.00 0.00 57.00 57.54 2kzc n GLN 3 Cb 0.72 -1.47 -0.10 0.00 0.00 0.00 0.00 30.24 29.39 2kzc n GLN 3 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 177.06 177.80 2kzc h PHE 4 N -0.68 0.00 -0.98 1.08 -1.00 -1.98 0.27 116.94 113.65 2kzc h PHE 4 Ca -0.65 0.00 0.14 0.00 2.81 0.00 0.00 57.97 60.27 2kzc h PHE 4 Cb 1.68 0.00 -0.09 0.00 3.61 0.00 0.00 35.95 41.15 2kzc h PHE 4 CO -0.05 1.24 0.62 0.87 -1.61 0.00 0.00 178.31 179.37 2kzc h LYS 5 N -1.00 0.85 0.21 1.51 1.57 -1.88 -1.26 116.57 116.58 2kzc h LYS 5 Ca -0.26 -0.05 -0.28 0.00 -1.87 0.00 0.00 60.65 58.19 2kzc h LYS 5 Cb 1.15 -0.19 0.03 0.00 0.08 0.00 0.00 32.23 33.30 2kzc h LYS 5 CO -0.15 0.56 -1.22 0.00 -0.57 0.00 0.00 179.45 178.07 2kzc h ALA 6 N 1.57 -0.14 -0.01 3.86 0.00 -1.72 -3.36 119.26 119.48 2kzc h ALA 6 Ca 0.50 -0.79 0.03 0.00 0.00 0.00 0.00 54.91 54.65 2kzc h ALA 6 Cb 0.63 0.15 -0.06 0.00 0.00 0.00 0.00 17.79 18.51 2kzc h ALA 6 CO -0.28 0.57 -0.49 0.93 0.00 0.00 0.00 179.25 179.98 2kzc h GLU 7 N -0.05 -0.61 -0.69 0.00 5.08 0.73 -1.23 114.58 117.82 2kzc h GLU 7 Ca -0.21 0.04 -0.03 0.00 -1.00 0.00 0.00 59.36 58.16 2kzc h GLU 7 Cb 1.97 0.14 -0.03 0.00 0.50 0.00 0.00 28.75 31.32 2kzc h GLU 7 CO 0.23 -0.41 0.31 0.00 -1.00 0.00 0.00 179.01 178.14 2kzc h ALA 8 N -0.24 1.24 -0.18 3.43 0.00 -1.66 -1.79 119.26 120.06 2kzc h ALA 8 Ca 0.03 -0.16 -0.09 0.00 0.00 0.00 0.00 54.91 54.70 2kzc h ALA 8 Cb 0.70 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 18.20 2kzc h ALA 8 CO -0.35 0.57 -0.27 -0.09 0.00 0.00 0.00 179.25 179.11 2kzc h ARG 9 N 0.99 0.34 0.63 0.00 9.65 -1.59 0.67 114.38 125.06 2kzc h ARG 9 Ca 0.24 -0.12 -0.02 0.00 -1.10 0.00 0.00 59.98 58.97 2kzc h ARG 9 Cb 0.14 -0.02 -0.01 0.00 -1.39 0.00 0.00 29.97 28.69 2kzc h ARG 9 CO -0.03 0.59 -0.41 -0.09 2.80 0.00 0.00 179.97 182.83 2kzc h ARG 10 N 0.30 -0.96 -0.40 0.20 2.43 -0.42 -1.90 114.38 113.63 2kzc h ARG 10 Ca 0.04 0.07 -0.07 0.00 -0.81 0.00 0.00 59.98 59.20 2kzc h ARG 10 Cb 0.64 0.22 -0.02 0.00 -0.42 0.00 0.00 29.97 30.39 2kzc h ARG 10 CO 0.05 -0.64 -0.06 -0.91 -1.51 0.00 0.00 179.97 176.90 2kzc h ASN 11 N -0.99 0.66 0.25 -3.80 2.35 -1.12 -1.57 115.58 111.35 2kzc h ASN 11 Ca -0.08 -0.17 0.00 0.00 -0.55 0.00 0.00 56.30 55.51 2kzc h ASN 11 Cb 0.81 -0.17 -0.02 0.00 0.05 0.00 0.00 38.32 38.99 2kzc h ASN 11 CO 0.06 0.76 -0.27 0.50 -1.65 0.00 0.00 177.43 176.84 2kzc h LYS 12 N 0.63 -0.53 -0.94 0.81 3.64 -0.81 0.80 116.57 120.17 2kzc h LYS 12 Ca 0.12 0.04 0.06 0.00 -1.27 0.00 0.00 60.65 59.60 2kzc h LYS 12 Cb 0.48 0.12 -0.06 0.00 -0.41 0.00 0.00 32.23 32.36 2kzc h LYS 12 CO 0.03 -0.36 0.60 -0.07 -2.27 0.00 0.00 179.45 177.38 2kzc h LEU 13 N -0.56 0.96 0.21 5.20 3.38 -1.18 -2.03 115.31 121.30 2kzc h LEU 13 Ca -0.00 0.01 -0.01 0.00 0.09 0.00 0.00 57.88 57.97 2kzc h LEU 13 Cb 0.52 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 41.08 2kzc h LEU 13 CO -0.07 0.62 -0.10 -0.03 0.09 0.00 0.00 178.44 178.94 2kzc h MET 14 N 1.10 -0.28 0.00 1.13 4.05 -0.74 -3.09 114.93 117.10 2kzc h MET 14 Ca 0.41 0.02 -0.03 0.00 -0.28 0.00 0.00 59.70 59.81 2kzc h MET 14 Cb 0.15 0.06 -0.00 0.00 -0.80 0.00 0.00 31.60 31.01 2kzc h MET 14 CO -0.17 -0.17 -0.15 0.78 0.23 0.00 0.00 176.91 177.43 2kzc h GLY 15 N -0.30 0.00 0.78 1.39 0.00 -0.35 -0.34 103.07 104.24 2kzc h GLY 15 Ca -0.03 0.00 0.03 0.00 0.00 0.00 0.00 47.33 47.33 2kzc h GLY 15 CO 0.05 0.00 0.07 1.41 0.00 0.00 0.00 176.54 178.06 2kzc h LEU 16 N 0.00 0.06 -0.24 3.11 3.38 -1.31 0.95 115.31 121.27 2kzc h LEU 16 Ca -0.00 0.03 -0.01 0.00 0.09 0.00 0.00 57.88 57.99 2kzc h LEU 16 Cb 0.29 0.03 -0.01 0.00 0.09 0.00 0.00 40.66 41.06 2kzc h LEU 16 CO 0.02 0.06 0.11 -0.25 0.09 0.00 0.00 178.44 178.47 2kzc h TRP 17 N 0.17 0.35 -0.49 1.13 7.01 -1.10 -1.76 115.95 121.25 2kzc h TRP 17 Ca 0.10 -0.02 -0.02 0.00 2.11 0.00 0.00 58.89 61.07 2kzc h TRP 17 Cb 0.08 -0.11 -0.02 0.00 -2.10 0.00 0.00 29.16 27.02 2kzc h TRP 17 CO -0.13 0.34 0.24 0.28 -2.79 0.00 0.00 178.44 176.38 2kzc h VAL 18 N 0.25 1.19 -0.27 2.65 2.07 -0.84 0.12 116.25 121.42 2kzc h VAL 18 Ca 0.08 -0.53 0.03 0.00 0.82 0.00 0.00 66.70 67.10 2kzc h VAL 18 Cb 0.13 0.64 -0.03 0.00 -1.52 0.00 0.00 31.29 30.52 2kzc h VAL 18 CO -0.01 0.21 0.11 0.00 0.02 0.00 0.00 177.57 177.90 2kzc h ALA 19 N 1.08 0.31 -0.27 1.67 0.00 -0.82 0.82 119.26 122.06 2kzc h ALA 19 Ca 0.17 0.02 0.04 0.00 0.00 0.00 0.00 54.91 55.14 2kzc h ALA 19 Cb 0.11 -0.01 -0.04 0.00 0.00 0.00 0.00 17.79 17.86 2kzc h ALA 19 CO -0.02 -0.30 0.04 1.49 0.00 0.00 0.00 179.25 180.47 2kzc h GLU 20 N 0.24 0.13 -0.41 0.00 4.81 -0.73 -0.83 114.58 117.79 2kzc h GLU 20 Ca 0.12 -0.01 0.05 0.00 -0.13 0.00 0.00 59.36 59.39 2kzc h GLU 20 Cb 0.07 -0.03 -0.05 0.00 0.63 0.00 0.00 28.75 29.37 2kzc h GLU 20 CO -0.11 0.09 0.13 0.28 -0.73 0.00 0.00 179.01 178.67 2kzc h VAL 21 N 0.14 0.85 -0.07 0.32 2.07 -0.59 -1.71 116.25 117.26 2kzc h VAL 21 Ca 0.12 -0.10 0.02 0.00 0.82 0.00 0.00 66.70 67.57 2kzc h VAL 21 Cb 0.13 0.54 -0.00 0.00 -1.52 0.00 0.00 31.29 30.44 2kzc h VAL 21 CO -0.17 0.05 0.07 -0.07 0.02 0.00 0.00 177.57 177.47 2kzc h LEU 22 N 0.28 0.00 0.00 2.57 3.38 -0.06 -3.46 115.31 118.02 2kzc h LEU 22 Ca 0.19 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.16 2kzc h LEU 22 Cb 0.20 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.95 2kzc h LEU 22 CO -0.22 0.00 0.00 0.61 0.09 0.00 0.00 178.44 178.92 2kzc n GLY 23 N -1.39 0.83 3.75 0.83 0.00 -0.56 -5.08 105.19 103.58 2kzc n GLY 23 Ca -0.01 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.67 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 -0.79 2.59 0.10 1.61 1.02 -0.43 -4.99 119.74 118.86 2kzc s LYS 24 Ca 0.00 1.53 -0.26 0.00 0.02 0.00 0.00 55.97 57.26 2kzc s LYS 24 Cb 0.00 -1.91 0.09 0.00 -0.52 0.00 0.00 37.83 35.48 2kzc s LYS 24 CO 0.00 -1.44 1.12 -1.12 -0.92 0.00 0.00 175.35 172.99 2kzc s SER 25 N -2.35 -0.05 0.97 2.83 0.01 -1.26 -3.89 113.70 109.96 2kzc s SER 25 Ca 0.70 -0.42 0.00 0.00 1.31 0.00 0.00 55.95 57.54 2kzc s SER 25 Cb -0.24 0.36 0.00 0.00 0.21 0.00 0.00 66.02 66.36 2kzc s SER 25 CO 0.42 -0.70 0.00 0.61 0.41 0.00 0.00 173.24 173.98 2kzc n GLY 26 N -0.65 0.99 0.15 3.44 0.00 -1.26 -3.76 105.19 104.09 2kzc n GLY 26 Ca -0.04 -0.64 0.13 0.00 0.00 0.00 0.00 46.02 45.47 2kzc n GLY 26 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 2kzc h ASP 27 N 8.01 0.00 -0.90 1.61 3.32 -2.00 -2.15 116.42 124.31 2kzc h ASP 27 Ca 0.00 0.00 0.24 0.00 0.02 0.00 0.00 57.03 57.29 2kzc h ASP 27 Cb 0.00 0.00 -0.13 0.00 0.22 0.00 0.00 39.33 39.42 2kzc h ASP 27 CO 0.00 0.00 0.37 -0.33 -1.72 0.00 0.00 179.24 177.56 2kzc h GLU 28 N 0.00 0.33 -0.00 3.56 4.39 -1.98 0.92 114.58 121.80 2kzc h GLU 28 Ca 0.00 -0.02 0.00 0.00 0.34 0.00 0.00 59.36 59.68 2kzc h GLU 28 Cb 0.71 -0.07 0.00 0.00 -0.10 0.00 0.00 28.75 29.29 2kzc h GLU 28 CO 0.00 0.22 -0.00 0.00 -1.16 0.00 0.00 179.01 178.07 2kzc n ALA 29 N -2.53 2.66 -0.09 3.43 0.00 -0.81 -1.65 120.51 121.53 2kzc n ALA 29 Ca 0.23 -0.20 -0.11 0.00 0.00 0.00 0.00 53.44 53.37 2kzc n ALA 29 Cb 0.70 -1.51 -0.15 0.00 0.00 0.00 0.00 19.45 18.49 2kzc n ALA 29 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 2kzc n ASN 30 N -1.01 0.34 0.01 0.00 3.02 0.14 -4.27 115.26 113.49 2kzc n ASN 30 Ca 0.23 0.07 -0.13 0.00 -0.03 0.00 0.00 54.58 54.72 2kzc n ASN 30 Cb 0.13 0.67 -0.09 0.00 -0.61 0.00 0.00 39.78 39.88 2kzc n ASN 30 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2kzc h ALA 31 N 0.91 -0.04 -0.76 5.41 0.00 -0.89 -3.28 119.26 120.61 2kzc h ALA 31 Ca -0.50 -0.22 0.13 0.00 0.00 0.00 0.00 54.91 54.32 2kzc h ALA 31 Cb 2.18 0.02 -0.09 0.00 0.00 0.00 0.00 17.79 19.89 2kzc h ALA 31 CO 0.03 -0.30 0.33 -0.92 0.00 0.00 0.00 179.25 178.39 2kzc h TYR 32 N -0.49 0.56 0.00 0.00 5.03 -1.55 -0.99 116.97 119.54 2kzc h TYR 32 Ca -0.00 0.03 -0.00 0.00 2.58 0.00 0.00 58.73 61.34 2kzc h TYR 32 Cb 0.46 -0.14 -0.00 0.00 1.55 0.00 0.00 36.73 38.60 2kzc h TYR 32 CO 0.08 0.11 -0.01 0.00 -1.32 0.00 0.00 178.16 177.01 2kzc h ALA 33 N 1.53 1.19 -0.02 1.82 0.00 -1.74 -1.83 119.26 120.22 2kzc h ALA 33 Ca 0.41 -0.01 -0.17 0.00 0.00 0.00 0.00 54.91 55.13 2kzc h ALA 33 Cb 0.58 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.36 2kzc h ALA 33 CO -0.37 0.02 -0.77 0.00 0.00 0.00 0.00 179.25 178.13 2kzc h ALA 34 N 1.99 0.68 -0.08 0.00 0.00 -1.28 -3.03 119.26 117.53 2kzc h ALA 34 Ca -0.00 -0.66 -0.02 0.00 0.00 0.00 0.00 54.91 54.23 2kzc h ALA 34 Cb 0.08 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 17.78 2kzc h ALA 34 CO 0.00 0.87 -0.03 0.93 0.00 0.00 0.00 179.25 181.02 2kzc h GLU 35 N 0.10 0.17 -0.00 0.00 5.08 -1.43 -0.26 114.58 118.23 2kzc h GLU 35 Ca -0.02 -0.07 0.00 0.00 -1.00 0.00 0.00 59.36 58.27 2kzc h GLU 35 Cb 1.34 -0.01 -0.00 0.00 0.50 0.00 0.00 28.75 30.59 2kzc h GLU 35 CO 0.11 0.51 0.01 -0.24 -1.00 0.00 0.00 179.01 178.40 2kzc h VAL 36 N -0.18 0.17 0.08 3.13 3.04 -1.62 0.40 116.25 121.27 2kzc h VAL 36 Ca 0.02 0.00 -0.30 0.00 -1.01 0.00 0.00 66.70 65.41 2kzc h VAL 36 Cb 0.45 0.99 -0.02 0.00 -2.01 0.00 0.00 31.29 30.71 2kzc h VAL 36 CO 0.01 0.00 -1.60 0.58 -1.01 0.00 0.00 177.57 175.55 2kzc h VAL 37 N 0.00 1.05 0.00 1.51 2.07 -1.37 -3.32 116.25 116.20 2kzc h VAL 37 Ca 0.00 -2.76 0.00 0.00 0.82 0.00 0.00 66.70 64.76 2kzc h VAL 37 Cb 0.01 2.66 0.00 0.00 -1.52 0.00 0.00 31.29 32.44 2kzc h VAL 37 CO -0.00 0.77 0.00 0.29 0.02 0.00 0.00 177.57 178.65 2kzc n LYS 38 N -3.36 0.06 -3.38 1.57 5.02 -0.13 -3.85 118.16 114.09 2kzc n LYS 38 Ca -0.17 0.18 -0.37 0.00 -2.02 0.00 0.00 58.31 55.93 2kzc n LYS 38 Cb 1.04 -1.59 -0.04 0.00 -0.02 0.00 0.00 35.03 34.42 2kzc n LYS 38 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2kzc n ALA 39 N -1.57 4.31 -2.46 7.82 0.00 -0.05 -4.73 120.51 123.84 2kzc n ALA 39 Ca 0.05 -4.71 -0.02 0.00 0.00 0.00 0.00 53.44 48.76 2kzc n ALA 39 Cb 0.27 -1.76 0.03 0.00 0.00 0.00 0.00 19.45 17.98 2kzc n ALA 39 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 2kzc n ASP 40 N 1.70 -0.21 -4.11 0.00 2.03 -1.25 -4.26 116.55 110.45 2kzc n ASP 40 Ca 0.25 -2.07 -0.11 0.00 0.52 0.00 0.00 54.79 53.39 2kzc n ASP 40 Cb 0.37 0.13 -0.08 0.00 -0.72 0.00 0.00 41.12 40.82 2kzc n ASP 40 CO 0.00 0.00 0.00 -0.36 -1.92 0.00 0.00 177.20 174.92 2kzc s PHE 41 N -0.70 0.81 0.00 -0.67 0.08 -1.26 -5.01 117.98 111.23 2kzc s PHE 41 Ca 0.15 -1.09 0.00 0.00 0.12 0.00 0.00 56.93 56.11 2kzc s PHE 41 Cb 0.27 -0.23 0.00 0.00 -0.57 0.00 0.00 43.02 42.49 2kzc s PHE 41 CO -0.08 -0.80 0.00 0.39 -0.10 0.00 0.00 175.22 174.63 2kzc n GLU 42 N -0.32 0.00 -1.12 0.44 1.02 -1.26 -4.84 120.64 114.56 2kzc n GLU 42 Ca 0.00 0.00 -0.31 0.00 -0.02 0.00 0.00 57.16 56.83 2kzc n GLU 42 Cb 0.64 -0.14 0.11 0.00 -0.02 0.00 0.00 31.44 32.04 2kzc n GLU 42 CO 0.00 0.00 0.00 -1.21 1.18 0.00 0.00 177.13 177.10 2kzc s GLU 43 N 0.00 1.86 -0.88 3.49 8.01 -1.26 -4.98 118.70 124.94 2kzc s GLU 43 Ca 0.00 1.38 -0.13 0.00 0.01 0.00 0.00 54.97 56.23 2kzc s GLU 43 Cb 0.00 -1.84 0.23 0.00 -4.31 0.00 0.00 34.13 28.21 2kzc s GLU 43 CO 0.00 -1.97 0.84 0.00 0.01 0.00 0.00 175.26 174.14 2kzc s ALA 44 N -2.68 4.21 0.00 5.21 0.00 -1.26 -4.72 121.76 122.52 2kzc s ALA 44 Ca 0.65 -3.42 0.00 0.00 0.00 0.00 0.00 51.96 49.19 2kzc s ALA 44 Cb -0.20 -3.53 0.00 0.00 0.00 0.00 0.00 23.12 19.38 2kzc s ALA 44 CO 0.54 -2.27 0.00 0.41 0.00 0.00 0.00 175.76 174.44 2kzc n GLY 45 N 3.74 2.35 0.23 0.00 0.00 -1.26 -4.74 105.19 105.51 2kzc n GLY 45 Ca 0.16 -0.69 0.00 0.00 0.00 0.00 0.00 46.02 45.49 2kzc n GLY 45 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 2kzc n HIS 46 N 0.00 0.00 0.00 1.61 8.25 -1.26 -4.92 115.22 118.90 2kzc n HIS 46 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.46 2kzc n HIS 46 Cb 0.00 0.04 0.00 0.00 1.12 0.00 0.00 29.99 31.15 2kzc n HIS 46 CO 0.00 0.00 0.00 0.39 0.64 0.00 0.00 176.34 177.37 2kzc n GLU 47 N -1.23 0.00 0.01 -0.41 1.02 -1.26 -1.22 120.64 117.55 2kzc n GLU 47 Ca 0.00 0.00 0.05 0.00 -0.02 0.00 0.00 57.16 57.19 2kzc n GLU 47 Cb 0.00 0.00 0.45 0.00 -0.02 0.00 0.00 31.44 31.87 2kzc n GLU 47 CO 0.00 0.00 0.00 0.22 1.18 0.00 0.00 177.13 178.53 2kzc h ASP 48 N 0.00 0.42 -0.15 1.62 3.58 -1.94 -1.42 116.42 118.54 2kzc h ASP 48 Ca 0.00 -0.01 0.04 0.00 0.42 0.00 0.00 57.03 57.48 2kzc h ASP 48 Cb 0.00 -0.10 -0.01 0.00 1.72 0.00 0.00 39.33 40.94 2kzc h ASP 48 CO 0.00 0.30 0.12 0.58 -2.88 0.00 0.00 179.24 177.36 2kzc h VAL 49 N 0.50 0.78 0.00 2.25 2.07 -1.34 0.28 116.25 120.79 2kzc h VAL 49 Ca 0.15 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.67 2kzc h VAL 49 Cb 0.01 0.91 -0.00 0.00 -1.52 0.00 0.00 31.29 30.69 2kzc h VAL 49 CO -0.04 0.00 -0.05 0.24 0.02 0.00 0.00 177.57 177.74 2kzc h MET 50 N 0.00 0.00 -0.85 1.57 2.86 -1.49 -3.31 114.93 113.70 2kzc h MET 50 Ca 0.07 0.00 0.23 0.00 -2.06 0.00 0.00 59.70 57.94 2kzc h MET 50 Cb 0.31 0.00 -0.05 0.00 0.06 0.00 0.00 31.60 31.93 2kzc h MET 50 CO -0.00 0.60 0.59 -0.09 1.06 0.00 0.00 176.91 179.08 2kzc h ARG 51 N -1.00 0.14 0.00 1.72 2.43 -0.92 -1.10 114.38 115.65 2kzc h ARG 51 Ca -0.01 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.15 2kzc h ARG 51 Cb 0.62 -0.03 0.00 0.00 -0.42 0.00 0.00 29.97 30.14 2kzc h ARG 51 CO -0.01 0.09 0.00 1.17 -1.51 0.00 0.00 179.97 179.72 2kzc n LYS 52 N -4.37 0.00 0.05 0.20 3.00 0.93 -1.29 118.16 116.68 2kzc n LYS 52 Ca 0.18 0.56 -0.02 0.00 -0.00 0.00 0.00 58.31 59.03 2kzc n LYS 52 Cb 0.83 -1.47 0.25 0.00 0.00 0.00 0.00 35.03 34.64 2kzc n LYS 52 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 177.40 177.01 2kzc h VAL 53 N 0.00 1.25 -0.08 3.15 -1.51 -1.49 -0.77 116.25 116.80 2kzc h VAL 53 Ca 0.00 -1.20 -0.02 0.00 -1.23 0.00 0.00 66.70 64.25 2kzc h VAL 53 Cb 0.00 1.37 -0.00 0.00 -2.13 0.00 0.00 31.29 30.53 2kzc h VAL 53 CO 0.00 0.37 -0.01 -0.07 -1.23 0.00 0.00 177.57 176.64 2kzc h LEU 54 N 0.34 0.16 -0.28 4.19 3.38 -1.28 -0.37 115.31 121.44 2kzc h LEU 54 Ca 0.05 -0.34 -0.02 0.00 0.09 0.00 0.00 57.88 57.66 2kzc h LEU 54 Cb 0.62 -0.04 -0.01 0.00 0.09 0.00 0.00 40.66 41.32 2kzc h LEU 54 CO 0.04 0.46 0.08 1.23 0.09 0.00 0.00 178.44 180.34 2kzc h GLY 55 N -0.15 0.47 0.72 0.83 0.00 -1.03 -3.11 103.07 100.80 2kzc h GLY 55 Ca 0.02 -0.29 0.05 0.00 0.00 0.00 0.00 47.33 47.11 2kzc h GLY 55 CO 0.01 0.27 0.27 -0.55 0.00 0.00 0.00 176.54 176.54 2kzc h ASP 56 N 0.29 0.39 0.10 0.19 5.19 -1.07 -2.73 116.42 118.78 2kzc h ASP 56 Ca 0.09 0.03 -0.01 0.00 -0.62 0.00 0.00 57.03 56.52 2kzc h ASP 56 Cb 0.26 -0.05 -0.00 0.00 0.18 0.00 0.00 39.33 39.72 2kzc h ASP 56 CO -0.00 0.27 -0.02 -0.07 -3.12 0.00 0.00 179.24 176.29 2kzc h LEU 57 N 0.53 0.00 0.99 1.55 3.38 -0.99 -3.46 115.31 117.30 2kzc h LEU 57 Ca 0.23 0.00 -0.31 0.00 0.09 0.00 0.00 57.88 57.90 2kzc h LEU 57 Cb 0.14 0.00 -0.10 0.00 0.09 0.00 0.00 40.66 40.79 2kzc h LEU 57 CO -0.16 0.02 -0.30 -0.67 0.09 0.00 0.00 178.44 177.42 2kzc n ASP 58 N -3.64 -4.78 0.00 -0.43 2.03 -1.03 -1.69 116.55 107.02 2kzc n ASP 58 Ca -0.03 0.30 0.00 0.00 0.52 0.00 0.00 54.79 55.59 2kzc n ASP 58 Cb 0.12 -3.67 0.00 0.00 -0.72 0.00 0.00 41.12 36.85 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 -1.10 0.70 0.27 0.27 0.00 -1.26 -4.99 105.19 99.08 2kzc n GLY 59 Ca -0.16 -0.34 0.01 0.00 0.00 0.00 0.00 46.02 45.53 2kzc n GLY 59 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2kzc h LYS 60 N 1.00 0.47 -4.03 1.61 1.57 -1.69 -3.45 116.57 112.05 2kzc h LYS 60 Ca 0.00 -0.09 -0.18 0.00 -1.87 0.00 0.00 60.65 58.51 2kzc h LYS 60 Cb 0.00 -0.07 -0.21 0.00 0.08 0.00 0.00 32.23 32.03 2kzc h LYS 60 CO 0.00 0.49 -0.70 1.03 -0.57 0.00 0.00 179.45 179.70 2kzc s ARG 61 N -4.98 0.33 0.51 3.15 1.81 -1.26 -5.15 118.95 113.36 2kzc s ARG 61 Ca -0.07 -0.63 -0.23 0.00 -1.72 0.00 0.00 55.73 53.08 2kzc s ARG 61 Cb 0.16 0.08 -0.06 0.00 -0.45 0.00 0.00 34.95 34.67 2kzc s ARG 61 CO 0.75 -0.04 1.36 -1.25 -0.68 0.00 0.00 175.30 175.44 2kzc s PRO 62 N -1.50 3.38 0.28 3.54 0.04 -1.26 -4.89 135.00 134.59 2kzc s PRO 62 Ca -0.15 2.24 0.01 0.00 0.04 0.00 0.00 61.00 63.14 2kzc s PRO 62 Cb -0.10 -2.40 0.62 0.00 0.04 0.00 0.00 34.50 32.66 2kzc s PRO 62 CO -0.01 -1.00 1.74 1.49 0.04 0.00 0.00 177.00 179.26 2kzc h GLU 63 N 1.81 0.52 -0.41 4.56 4.81 -1.99 -2.05 114.58 121.82 2kzc h GLU 63 Ca -0.51 -0.03 0.08 0.00 -0.13 0.00 0.00 59.36 58.77 2kzc h GLU 63 Cb 1.28 -0.12 -0.07 0.00 0.63 0.00 0.00 28.75 30.47 2kzc h GLU 63 CO 0.59 0.34 -0.04 0.00 -0.73 0.00 0.00 179.01 179.17 2kzc h ALA 64 N 1.62 0.34 0.00 2.92 0.00 -2.00 0.16 119.26 122.30 2kzc h ALA 64 Ca 0.51 0.14 -0.13 0.00 0.00 0.00 0.00 54.91 55.42 2kzc h ALA 64 Cb 0.83 0.25 -0.02 0.00 0.00 0.00 0.00 17.79 18.85 2kzc h ALA 64 CO -0.43 -0.42 -0.62 1.49 0.00 0.00 0.00 179.25 179.27 2kzc h GLU 65 N 0.06 0.00 -0.03 0.00 4.81 -1.76 -2.39 114.58 115.28 2kzc h GLU 65 Ca 0.20 0.00 -0.02 0.00 -0.13 0.00 0.00 59.36 59.41 2kzc h GLU 65 Cb 0.30 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.68 2kzc h GLU 65 CO -0.38 0.62 -0.07 0.28 -0.73 0.00 0.00 179.01 178.73 2kzc h VAL 66 N 0.00 1.47 -0.71 0.32 2.07 -0.97 -1.13 116.25 117.30 2kzc h VAL 66 Ca -0.01 -1.49 -0.03 0.00 0.82 0.00 0.00 66.70 66.00 2kzc h VAL 66 Cb 1.16 2.40 -0.03 0.00 -1.52 0.00 0.00 31.29 33.29 2kzc h VAL 66 CO 0.08 0.40 0.34 0.08 0.02 0.00 0.00 177.57 178.49 2kzc h ARG 67 N -0.48 1.01 -0.40 1.57 0.11 -1.05 -2.33 114.38 112.81 2kzc h ARG 67 Ca -0.00 -0.14 -0.01 0.00 0.10 0.00 0.00 59.98 59.93 2kzc h ARG 67 Cb 0.69 -0.19 -0.02 0.00 1.11 0.00 0.00 29.97 31.56 2kzc h ARG 67 CO 0.02 0.78 0.21 0.00 0.10 0.00 0.00 179.97 181.07 2kzc h ALA 68 N 1.37 0.51 -0.48 0.08 0.00 -1.33 0.15 119.26 119.56 2kzc h ALA 68 Ca 0.25 -0.09 0.08 0.00 0.00 0.00 0.00 54.91 55.14 2kzc h ALA 68 Cb 0.10 -0.16 -0.07 0.00 0.00 0.00 0.00 17.79 17.66 2kzc h ALA 68 CO -0.03 0.06 0.09 -0.22 0.00 0.00 0.00 179.25 179.14 2kzc h LYS 69 N 0.51 0.22 0.33 0.00 1.63 -0.94 -1.87 116.57 116.46 2kzc h LYS 69 Ca 0.14 -0.01 -0.02 0.00 -0.85 0.00 0.00 60.65 59.91 2kzc h LYS 69 Cb 0.09 -0.05 0.00 0.00 -0.60 0.00 0.00 32.23 31.67 2kzc h LYS 69 CO -0.02 0.14 -0.16 -0.92 -3.45 0.00 0.00 179.45 175.04 2kzc h TYR 70 N 0.22 -0.41 -0.99 1.91 3.20 -0.87 -2.98 116.97 117.05 2kzc h TYR 70 Ca 0.24 -0.01 0.07 0.00 3.14 0.00 0.00 58.73 62.17 2kzc h TYR 70 Cb 0.32 0.14 -0.07 0.00 1.54 0.00 0.00 36.73 38.66 2kzc h TYR 70 CO -0.23 -0.08 0.64 0.93 -1.64 0.00 0.00 178.16 177.77 2kzc h GLU 71 N -0.80 1.12 0.00 1.82 4.39 -0.97 -0.79 114.58 119.35 2kzc h GLU 71 Ca -0.05 -0.07 0.00 0.00 0.34 0.00 0.00 59.36 59.59 2kzc h GLU 71 Cb 0.52 -0.25 0.00 0.00 -0.10 0.00 0.00 28.75 28.92 2kzc h GLU 71 CO 0.08 0.74 0.00 0.78 -1.16 0.00 0.00 179.01 179.44 2kzc h GLY 72 N 1.15 0.00 1.91 -3.84 0.00 -1.35 -2.97 103.07 97.98 2kzc h GLY 72 Ca 0.43 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.76 2kzc h GLY 72 CO -0.18 0.00 -0.05 -0.10 0.00 0.00 0.00 176.54 176.21 2kzc n LEU 73 N -2.71 0.38 -0.19 3.11 7.94 -0.30 -3.85 117.00 121.39 2kzc n LEU 73 Ca 0.01 0.49 -0.01 0.00 -1.11 0.00 0.00 56.01 55.39 2kzc n LEU 73 Cb 0.23 -0.40 0.10 0.00 0.53 0.00 0.00 43.42 43.88 2kzc n LEU 73 CO 0.22 -0.07 0.96 -0.03 -1.11 0.00 0.00 177.39 177.37 2kzc h MET 74 N 0.00 0.34 -0.19 1.96 4.05 -1.61 0.15 114.93 119.62 2kzc h MET 74 Ca 0.00 -0.02 -0.00 0.00 -0.28 0.00 0.00 59.70 59.40 2kzc h MET 74 Cb 0.61 -0.08 -0.01 0.00 -0.80 0.00 0.00 31.60 31.32 2kzc h MET 74 CO 0.00 0.22 0.12 0.00 0.23 0.00 0.00 176.91 177.48 2kzc h ALA 75 N 1.41 0.25 -0.41 0.39 0.00 -1.83 -2.71 119.26 116.37 2kzc h ALA 75 Ca 0.29 -0.04 -0.10 0.00 0.00 0.00 0.00 54.91 55.07 2kzc h ALA 75 Cb 0.37 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.07 2kzc h ALA 75 CO -0.32 -0.25 -0.13 0.28 0.00 0.00 0.00 179.25 178.83 2kzc h VAL 76 N 0.24 1.28 -0.60 0.00 2.07 -1.47 0.83 116.25 118.59 2kzc h VAL 76 Ca 0.07 -1.25 0.07 0.00 0.82 0.00 0.00 66.70 66.42 2kzc h VAL 76 Cb 0.02 1.23 -0.06 0.00 -1.52 0.00 0.00 31.29 30.96 2kzc h VAL 76 CO -0.01 0.42 0.28 0.00 0.02 0.00 0.00 177.57 178.28 2kzc h ALA 77 N 0.84 0.79 -0.20 1.67 0.00 -0.74 -1.09 119.26 120.53 2kzc h ALA 77 Ca 0.10 0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.06 2kzc h ALA 77 Cb 0.67 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.43 2kzc h ALA 77 CO 0.05 -0.10 0.00 1.63 0.00 0.00 0.00 179.25 180.83 2kzc n LYS 78 N -4.90 1.75 0.15 0.00 5.02 -1.02 -2.68 118.16 116.47 2kzc n LYS 78 Ca 0.08 -1.13 -0.07 0.00 -2.02 0.00 0.00 58.31 55.17 2kzc n LYS 78 Cb 0.21 -1.38 -0.03 0.00 -0.02 0.00 0.00 35.03 33.81 2kzc n LYS 78 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2kzc h ALA 79 N 3.99 -0.48 -0.35 7.82 0.00 0.46 -3.42 119.26 127.28 2kzc h ALA 79 Ca 0.00 -0.10 -0.07 0.00 0.00 0.00 0.00 54.91 54.74 2kzc h ALA 79 Cb 0.48 0.18 -0.02 0.00 0.00 0.00 0.00 17.79 18.43 2kzc h ALA 79 CO 0.00 -0.45 -0.06 1.96 0.00 0.00 0.00 179.25 180.70 2kzc h GLN 80 N -1.05 0.57 -0.00 0.00 4.20 -1.22 -2.48 115.11 115.13 2kzc h GLN 80 Ca -0.05 -0.15 -0.18 0.00 0.06 0.00 0.00 58.65 58.33 2kzc h GLN 80 Cb 0.35 -0.07 -0.02 0.00 0.30 0.00 0.00 27.48 28.05 2kzc h GLN 80 CO 0.08 0.64 -0.83 1.37 -0.67 0.00 0.00 178.83 179.42 2kzc h LEU 81 N 0.54 0.17 -0.00 1.46 8.10 -1.76 0.13 115.31 123.95 2kzc h LEU 81 Ca 0.11 -0.14 -0.04 0.00 0.11 0.00 0.00 57.88 57.92 2kzc h LEU 81 Cb 0.44 -0.05 0.00 0.00 -0.44 0.00 0.00 40.66 40.61 2kzc h LEU 81 CO 0.02 0.92 -0.14 0.24 -4.11 0.00 0.00 178.44 175.37 2kzc h MET 82 N 0.08 0.11 -0.87 0.17 2.86 -1.78 -3.16 114.93 112.34 2kzc h MET 82 Ca -0.03 -0.11 0.03 0.00 -2.06 0.00 0.00 59.70 57.53 2kzc h MET 82 Cb 1.44 0.03 -0.05 0.00 0.06 0.00 0.00 31.60 33.08 2kzc h MET 82 CO 0.12 0.85 0.56 0.22 1.06 0.00 0.00 176.91 179.72 2kzc h ASP 83 N -0.60 0.94 1.32 1.22 3.58 -1.14 -2.78 116.42 118.96 2kzc h ASP 83 Ca -0.02 -0.01 -0.01 0.00 0.42 0.00 0.00 57.03 57.42 2kzc h ASP 83 Cb 0.90 -0.21 -0.00 0.00 1.72 0.00 0.00 39.33 41.73 2kzc h ASP 83 CO 0.03 0.65 -0.04 -0.33 -2.88 0.00 0.00 179.24 176.66 2kzc h GLU 84 N 1.10 0.00 0.00 0.28 4.39 -0.84 -3.51 114.58 115.99 2kzc h GLU 84 Ca 0.34 0.00 0.00 0.00 0.34 0.00 0.00 59.36 60.04 2kzc h GLU 84 Cb -0.01 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.64 2kzc h GLU 84 CO -0.11 0.04 0.00 -0.11 -1.16 0.00 0.00 179.01 177.67