#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 0.00 -0.02 1.61 2.00 -1.26 -4.79 117.12 114.66 2kzc n MET 2 Ca 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 57.70 57.65 2kzc n MET 2 Cb 0.00 -3.25 0.15 0.00 0.00 0.00 0.00 33.22 30.12 2kzc n MET 2 CO 0.00 0.00 0.00 0.37 0.00 0.00 0.00 175.97 176.34 2kzc h GLN 3 N 0.00 0.58 0.03 0.03 4.15 -2.04 0.21 115.11 118.06 2kzc h GLN 3 Ca 0.00 -0.24 -0.08 0.00 0.77 0.00 0.00 58.65 59.10 2kzc h GLN 3 Cb 0.00 -0.02 0.01 0.00 0.21 0.00 0.00 27.48 27.67 2kzc h GLN 3 CO 0.00 0.80 -0.34 0.74 -1.93 0.00 0.00 178.83 178.10 2kzc h PHE 4 N 0.50 0.29 -0.16 3.99 -1.00 -1.97 0.52 116.94 119.11 2kzc h PHE 4 Ca 0.07 -0.18 0.04 0.00 2.81 0.00 0.00 57.97 60.71 2kzc h PHE 4 Cb 0.74 -0.02 -0.05 0.00 3.61 0.00 0.00 35.95 40.23 2kzc h PHE 4 CO 0.03 1.04 -0.13 0.87 -1.61 0.00 0.00 178.31 178.51 2kzc h LYS 5 N -0.54 -0.13 -0.55 1.51 1.79 -1.92 -2.12 116.57 114.60 2kzc h LYS 5 Ca -0.05 0.01 -0.06 0.00 -2.18 0.00 0.00 60.65 58.37 2kzc h LYS 5 Cb 1.16 0.03 -0.02 0.00 -1.58 0.00 0.00 32.23 31.81 2kzc h LYS 5 CO 0.07 -0.09 0.10 0.00 -1.08 0.00 0.00 179.45 178.44 2kzc h ALA 6 N 0.96 1.13 0.55 3.86 0.00 -0.93 -3.09 119.26 121.74 2kzc h ALA 6 Ca 0.10 -0.23 -0.02 0.00 0.00 0.00 0.00 54.91 54.76 2kzc h ALA 6 Cb 0.29 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.84 2kzc h ALA 6 CO -0.24 0.57 -0.50 0.93 0.00 0.00 0.00 179.25 180.02 2kzc h GLU 7 N 0.83 -1.00 -0.79 0.00 5.08 0.71 0.13 114.58 119.54 2kzc h GLU 7 Ca 0.17 0.07 0.01 0.00 -1.00 0.00 0.00 59.36 58.61 2kzc h GLU 7 Cb 0.36 0.23 -0.04 0.00 0.50 0.00 0.00 28.75 29.79 2kzc h GLU 7 CO 0.01 -0.66 0.52 0.00 -1.00 0.00 0.00 179.01 177.88 2kzc h ALA 8 N -0.98 1.43 -0.12 3.43 0.00 -1.53 -1.54 119.26 119.95 2kzc h ALA 8 Ca -0.07 -0.06 -0.11 0.00 0.00 0.00 0.00 54.91 54.67 2kzc h ALA 8 Cb 0.88 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 18.34 2kzc h ALA 8 CO -0.03 0.53 -0.41 -0.09 0.00 0.00 0.00 179.25 179.25 2kzc h ARG 9 N 1.07 0.27 0.53 0.00 9.65 -1.38 -0.01 114.38 124.51 2kzc h ARG 9 Ca 0.29 -0.13 -0.02 0.00 -1.10 0.00 0.00 59.98 59.02 2kzc h ARG 9 Cb -0.12 -0.00 -0.01 0.00 -1.39 0.00 0.00 29.97 28.44 2kzc h ARG 9 CO -0.06 0.64 -0.38 -0.09 2.80 0.00 0.00 179.97 182.88 2kzc h ARG 10 N 0.23 -0.86 -0.56 0.20 2.43 0.23 -1.89 114.38 114.17 2kzc h ARG 10 Ca 0.02 0.06 -0.09 0.00 -0.81 0.00 0.00 59.98 59.15 2kzc h ARG 10 Cb 0.83 0.19 -0.02 0.00 -0.42 0.00 0.00 29.97 30.55 2kzc h ARG 10 CO 0.07 -0.57 -0.03 -0.91 -1.51 0.00 0.00 179.97 177.02 2kzc h ASN 11 N -0.89 0.96 0.02 -3.80 2.35 -1.17 -1.16 115.58 111.89 2kzc h ASN 11 Ca -0.06 -0.27 0.03 0.00 -0.55 0.00 0.00 56.30 55.44 2kzc h ASN 11 Cb 0.74 -0.26 -0.05 0.00 0.05 0.00 0.00 38.32 38.80 2kzc h ASN 11 CO 0.03 1.03 -0.44 0.50 -1.65 0.00 0.00 177.43 176.90 2kzc h LYS 12 N 0.89 -0.59 -0.98 0.81 3.64 -0.98 -0.12 116.57 119.25 2kzc h LYS 12 Ca 0.16 0.04 0.02 0.00 -1.27 0.00 0.00 60.65 59.60 2kzc h LYS 12 Cb 0.56 0.13 -0.05 0.00 -0.41 0.00 0.00 32.23 32.46 2kzc h LYS 12 CO 0.03 -0.39 0.64 -0.07 -2.27 0.00 0.00 179.45 177.39 2kzc h LEU 13 N -0.61 1.09 0.11 5.20 3.38 -1.03 -2.05 115.31 121.40 2kzc h LEU 13 Ca 0.04 -0.02 -0.01 0.00 0.09 0.00 0.00 57.88 57.98 2kzc h LEU 13 Cb 0.68 -0.26 0.00 0.00 0.09 0.00 0.00 40.66 41.17 2kzc h LEU 13 CO -0.31 0.77 -0.05 -0.03 0.09 0.00 0.00 178.44 178.90 2kzc h MET 14 N 1.28 -0.15 0.00 1.13 4.05 -0.80 -3.08 114.93 117.36 2kzc h MET 14 Ca 0.37 0.01 -0.03 0.00 -0.28 0.00 0.00 59.70 59.77 2kzc h MET 14 Cb -0.07 0.03 -0.00 0.00 -0.80 0.00 0.00 31.60 30.76 2kzc h MET 14 CO -0.10 -0.07 -0.16 0.78 0.23 0.00 0.00 176.91 177.60 2kzc h GLY 15 N -0.18 0.00 1.49 1.39 0.00 -0.35 -0.72 103.07 104.70 2kzc h GLY 15 Ca -0.02 0.00 -0.05 0.00 0.00 0.00 0.00 47.33 47.26 2kzc h GLY 15 CO 0.03 0.00 0.04 1.41 0.00 0.00 0.00 176.54 178.02 2kzc h LEU 16 N 0.00 0.60 0.52 3.11 3.38 -1.35 0.84 115.31 122.41 2kzc h LEU 16 Ca -0.00 -0.11 -0.03 0.00 0.09 0.00 0.00 57.88 57.83 2kzc h LEU 16 Cb 0.29 -0.16 0.01 0.00 0.09 0.00 0.00 40.66 40.89 2kzc h LEU 16 CO 0.02 0.64 -0.25 -0.25 0.09 0.00 0.00 178.44 178.69 2kzc h TRP 17 N 0.61 -0.65 -0.22 1.13 7.01 -1.14 -3.18 115.95 119.52 2kzc h TRP 17 Ca 0.13 -0.02 0.05 0.00 2.11 0.00 0.00 58.89 61.17 2kzc h TRP 17 Cb 0.32 0.21 -0.05 0.00 -2.10 0.00 0.00 29.16 27.55 2kzc h TRP 17 CO 0.01 -0.34 -0.11 0.28 -2.79 0.00 0.00 178.44 175.50 2kzc h VAL 18 N -1.09 0.66 -0.40 2.65 2.07 -0.99 -0.28 116.25 118.87 2kzc h VAL 18 Ca -0.07 0.00 0.08 0.00 0.82 0.00 0.00 66.70 67.53 2kzc h VAL 18 Cb 0.60 0.66 -0.09 0.00 -1.52 0.00 0.00 31.29 30.93 2kzc h VAL 18 CO 0.12 0.00 -0.33 0.00 0.02 0.00 0.00 177.57 177.38 2kzc h ALA 19 N 1.11 -0.19 -0.86 1.67 0.00 -1.00 0.38 119.26 120.37 2kzc h ALA 19 Ca 0.12 0.10 -0.02 0.00 0.00 0.00 0.00 54.91 55.12 2kzc h ALA 19 Cb 0.26 0.71 -0.04 0.00 0.00 0.00 0.00 17.79 18.72 2kzc h ALA 19 CO -0.28 -0.73 0.48 1.49 0.00 0.00 0.00 179.25 180.21 2kzc h GLU 20 N -0.25 1.20 -0.57 0.00 4.81 -1.24 0.21 114.58 118.74 2kzc h GLU 20 Ca 0.17 -0.14 0.02 0.00 -0.13 0.00 0.00 59.36 59.29 2kzc h GLU 20 Cb 0.54 -0.24 -0.03 0.00 0.63 0.00 0.00 28.75 29.65 2kzc h GLU 20 CO -0.54 0.87 0.36 0.28 -0.73 0.00 0.00 179.01 179.25 2kzc h VAL 21 N 1.21 1.09 0.00 0.32 2.07 -0.46 -2.32 116.25 118.16 2kzc h VAL 21 Ca 0.30 -0.25 -0.02 0.00 0.82 0.00 0.00 66.70 67.56 2kzc h VAL 21 Cb 0.02 0.31 -0.00 0.00 -1.52 0.00 0.00 31.29 30.10 2kzc h VAL 21 CO -0.05 0.13 -0.09 -0.07 0.02 0.00 0.00 177.57 177.51 2kzc h LEU 22 N 0.72 0.00 0.00 2.57 3.38 -0.06 -3.46 115.31 118.46 2kzc h LEU 22 Ca 0.22 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.19 2kzc h LEU 22 Cb -0.01 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.74 2kzc h LEU 22 CO -0.08 0.09 0.00 0.61 0.09 0.00 0.00 178.44 179.15 2kzc n GLY 23 N -1.14 0.98 3.76 0.83 0.00 -0.74 -5.10 105.19 103.79 2kzc n GLY 23 Ca -0.03 0.00 -0.33 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 -0.93 2.67 0.29 1.61 1.02 -0.02 -4.98 119.74 119.41 2kzc s LYS 24 Ca 0.00 1.41 -0.20 0.00 0.02 0.00 0.00 55.97 57.20 2kzc s LYS 24 Cb 0.00 -1.93 0.04 0.00 -0.52 0.00 0.00 37.83 35.42 2kzc s LYS 24 CO 0.00 -1.35 0.78 -1.54 -0.92 0.00 0.00 175.35 172.32 2kzc s SER 25 N -2.60 -0.16 0.90 2.83 1.04 -1.26 -4.03 113.70 110.41 2kzc s SER 25 Ca 0.67 -0.74 0.00 0.00 0.48 0.00 0.00 55.95 56.37 2kzc s SER 25 Cb -0.21 0.72 0.00 0.00 0.10 0.00 0.00 66.02 66.63 2kzc s SER 25 CO 0.43 -1.37 0.00 0.61 0.98 0.00 0.00 173.24 173.89 2kzc n GLY 26 N -0.49 2.75 0.21 7.32 0.00 -1.26 -2.38 105.19 111.33 2kzc n GLY 26 Ca -0.05 -0.31 -0.03 0.00 0.00 0.00 0.00 46.02 45.63 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 6.90 0.34 -0.64 1.61 3.32 -2.00 -3.16 116.42 122.79 2kzc h ASP 27 Ca 0.00 -0.13 0.13 0.00 0.02 0.00 0.00 57.03 57.05 2kzc h ASP 27 Cb 0.00 -0.09 -0.11 0.00 0.22 0.00 0.00 39.33 39.34 2kzc h ASP 27 CO 0.00 0.67 -0.03 -0.08 -1.72 0.00 0.00 179.24 178.08 2kzc h GLU 28 N 0.29 0.08 -0.22 3.56 4.81 -1.89 -0.06 114.58 121.14 2kzc h GLU 28 Ca 0.03 -0.01 -0.12 0.00 -0.13 0.00 0.00 59.36 59.14 2kzc h GLU 28 Cb 0.75 -0.02 -0.01 0.00 0.63 0.00 0.00 28.75 30.10 2kzc h GLU 28 CO 0.06 0.06 -0.38 0.00 -0.73 0.00 0.00 179.01 178.01 2kzc h ALA 29 N 1.60 0.92 0.05 2.92 0.00 -1.50 -2.08 119.26 121.16 2kzc h ALA 29 Ca 0.33 -0.42 -0.25 0.00 0.00 0.00 0.00 54.91 54.56 2kzc h ALA 29 Cb 0.54 -0.11 0.01 0.00 0.00 0.00 0.00 17.79 18.23 2kzc h ALA 29 CO -0.57 0.63 -1.06 -0.91 0.00 0.00 0.00 179.25 177.33 2kzc h ASN 30 N 0.42 0.61 -0.19 0.00 2.35 -1.45 -1.87 115.58 115.46 2kzc h ASN 30 Ca 0.04 -0.53 0.02 0.00 -0.55 0.00 0.00 56.30 55.28 2kzc h ASN 30 Cb 0.86 -0.19 -0.02 0.00 0.05 0.00 0.00 38.32 39.02 2kzc h ASN 30 CO 0.07 1.35 0.07 0.00 -1.65 0.00 0.00 177.43 177.27 2kzc h ALA 31 N 0.60 0.21 -0.88 -0.83 0.00 -1.01 -2.83 119.26 114.53 2kzc h ALA 31 Ca -0.11 0.02 0.03 0.00 0.00 0.00 0.00 54.91 54.85 2kzc h ALA 31 Cb 1.72 0.00 -0.05 0.00 0.00 0.00 0.00 17.79 19.46 2kzc h ALA 31 CO 0.19 -0.36 0.57 -0.92 0.00 0.00 0.00 179.25 178.72 2kzc h TYR 32 N 0.16 1.07 0.00 0.00 5.03 -1.23 -0.98 116.97 121.02 2kzc h TYR 32 Ca 0.08 0.03 0.00 0.00 2.58 0.00 0.00 58.73 61.42 2kzc h TYR 32 Cb 0.05 -0.36 0.00 0.00 1.55 0.00 0.00 36.73 37.97 2kzc h TYR 32 CO -0.11 0.62 0.00 0.00 -1.32 0.00 0.00 178.16 177.35 2kzc n ALA 33 N -2.35 1.55 -0.05 1.82 0.00 -0.71 -1.10 120.51 119.67 2kzc n ALA 33 Ca 0.11 -0.04 -0.18 0.00 0.00 0.00 0.00 53.44 53.33 2kzc n ALA 33 Cb 0.08 -1.13 -0.13 0.00 0.00 0.00 0.00 19.45 18.27 2kzc n ALA 33 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2kzc n ALA 34 N -1.28 1.16 -0.13 0.00 0.00 -0.39 -4.22 120.51 115.64 2kzc n ALA 34 Ca 0.04 -0.82 -0.06 0.00 0.00 0.00 0.00 53.44 52.60 2kzc n ALA 34 Cb 0.06 -0.49 0.02 0.00 0.00 0.00 0.00 19.45 19.05 2kzc n ALA 34 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 2kzc h GLU 35 N 0.04 0.43 -0.00 0.00 4.39 -0.86 -2.11 114.58 116.47 2kzc h GLU 35 Ca -0.47 -0.03 0.00 0.00 0.34 0.00 0.00 59.36 59.21 2kzc h GLU 35 Cb 2.01 -0.10 -0.00 0.00 -0.10 0.00 0.00 28.75 30.56 2kzc h GLU 35 CO 0.03 0.28 0.00 -0.24 -1.16 0.00 0.00 179.01 177.92 2kzc h VAL 36 N 0.44 0.98 -0.11 3.13 3.04 -1.56 -1.02 116.25 121.16 2kzc h VAL 36 Ca 0.18 0.00 -0.20 0.00 -1.01 0.00 0.00 66.70 65.67 2kzc h VAL 36 Cb 0.07 1.00 0.01 0.00 -2.01 0.00 0.00 31.29 30.36 2kzc h VAL 36 CO -0.11 0.00 -0.72 0.58 -1.01 0.00 0.00 177.57 176.31 2kzc h VAL 37 N 0.00 1.31 0.00 1.51 2.07 -1.61 -3.16 116.25 116.37 2kzc h VAL 37 Ca 0.00 -1.96 0.00 0.00 0.82 0.00 0.00 66.70 65.56 2kzc h VAL 37 Cb 0.00 2.13 0.00 0.00 -1.52 0.00 0.00 31.29 31.90 2kzc h VAL 37 CO -0.00 0.61 0.00 1.17 0.02 0.00 0.00 177.57 179.37 2kzc n LYS 38 N -4.04 0.26 -0.27 1.57 4.81 -0.40 -1.85 118.16 118.23 2kzc n LYS 38 Ca -0.08 0.02 0.08 0.00 -0.87 0.00 0.00 58.31 57.45 2kzc n LYS 38 Cb 0.71 -1.50 0.18 0.00 0.02 0.00 0.00 35.03 34.44 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 -1.02 2.76 -3.34 3.14 0.00 -1.11 -4.77 120.51 116.17 2kzc n ALA 39 Ca 0.06 -2.70 -0.33 0.00 0.00 0.00 0.00 53.44 50.47 2kzc n ALA 39 Cb 0.03 -0.47 -0.05 0.00 0.00 0.00 0.00 19.45 18.96 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 -1.19 4.65 -2.52 0.00 -0.08 -0.77 -2.28 116.55 114.36 2kzc n ASP 40 Ca 0.19 -3.38 -0.11 0.00 -1.51 0.00 0.00 54.79 49.97 2kzc n ASP 40 Cb 0.73 -0.92 -0.02 0.00 2.34 0.00 0.00 41.12 43.25 2kzc n ASP 40 CO 0.00 0.00 0.00 0.49 0.12 0.00 0.00 177.20 177.81 2kzc n PHE 41 N 1.24 -1.23 0.00 -0.67 3.72 -1.26 -5.03 117.46 114.22 2kzc n PHE 41 Ca 0.27 -1.78 0.00 0.00 -0.05 0.00 0.00 57.45 55.89 2kzc n PHE 41 Cb 0.38 0.43 0.00 0.00 -0.94 0.00 0.00 39.48 39.35 2kzc n PHE 41 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 176.76 177.10 2kzc n GLU 42 N -0.44 0.00 -1.41 -1.08 1.02 -1.26 -4.73 120.64 112.74 2kzc n GLU 42 Ca 0.00 0.00 -0.30 0.00 -0.02 0.00 0.00 57.16 56.85 2kzc n GLU 42 Cb 0.45 0.00 0.12 0.00 -0.02 0.00 0.00 31.44 31.98 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 1.61 -0.11 3.49 8.01 -1.26 -5.01 118.70 125.44 2kzc s GLU 43 Ca 0.00 0.66 0.15 0.00 0.01 0.00 0.00 54.97 55.79 2kzc s GLU 43 Cb 0.00 -1.86 0.34 0.00 -4.31 0.00 0.00 34.13 28.30 2kzc s GLU 43 CO 0.00 -1.95 1.16 0.00 0.01 0.00 0.00 175.26 174.48 2kzc n ALA 44 N -3.66 2.81 -2.69 5.21 0.00 -1.26 -4.77 120.51 116.15 2kzc n ALA 44 Ca 0.07 -2.60 -0.05 0.00 0.00 0.00 0.00 53.44 50.86 2kzc n ALA 44 Cb 0.56 -0.49 0.10 0.00 0.00 0.00 0.00 19.45 19.62 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 -0.54 -0.53 3.44 0.00 0.00 -1.26 -5.04 105.19 101.26 2kzc n GLY 45 Ca 0.12 0.44 0.00 0.00 0.00 0.00 0.00 46.02 46.58 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 0.31 0.00 -0.13 1.61 1.44 -1.26 -4.82 115.22 112.37 2kzc n HIS 46 Ca -0.03 0.00 -0.09 0.00 -2.01 0.00 0.00 57.72 55.59 2kzc n HIS 46 Cb 0.73 -1.55 -0.04 0.00 0.12 0.00 0.00 29.99 29.26 2kzc n HIS 46 CO 0.00 0.00 0.00 0.93 -2.81 0.00 0.00 176.34 174.46 2kzc h GLU 47 N 0.00 -0.29 -0.02 -1.40 3.07 -1.94 0.48 114.58 114.48 2kzc h GLU 47 Ca 0.00 0.02 -0.19 0.00 -0.50 0.00 0.00 59.36 58.69 2kzc h GLU 47 Cb 0.33 0.07 -0.01 0.00 -0.84 0.00 0.00 28.75 28.30 2kzc h GLU 47 CO 0.00 -0.19 -0.83 0.22 -1.40 0.00 0.00 179.01 176.81 2kzc h ASP 48 N -0.30 0.37 -0.01 1.42 3.58 -1.87 -0.82 116.42 118.78 2kzc h ASP 48 Ca 0.15 -0.27 0.03 0.00 0.42 0.00 0.00 57.03 57.35 2kzc h ASP 48 Cb 0.57 -0.11 -0.03 0.00 1.72 0.00 0.00 39.33 41.48 2kzc h ASP 48 CO -0.57 1.04 -0.16 0.58 -2.88 0.00 0.00 179.24 177.26 2kzc h VAL 49 N 0.18 0.61 -0.40 2.25 2.07 -1.16 0.17 116.25 119.97 2kzc h VAL 49 Ca -0.04 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.48 2kzc h VAL 49 Cb 1.43 0.61 -0.02 0.00 -1.52 0.00 0.00 31.29 31.79 2kzc h VAL 49 CO 0.13 0.00 0.26 0.24 0.02 0.00 0.00 177.57 178.22 2kzc h MET 50 N -0.26 0.53 -0.17 1.57 2.86 -0.68 -0.66 114.93 118.13 2kzc h MET 50 Ca 0.06 -0.03 -0.00 0.00 -2.06 0.00 0.00 59.70 57.66 2kzc h MET 50 Cb 0.33 -0.12 -0.01 0.00 0.06 0.00 0.00 31.60 31.86 2kzc h MET 50 CO -0.16 0.35 0.10 -0.09 1.06 0.00 0.00 176.91 178.17 2kzc h ARG 51 N 0.54 0.23 0.40 1.72 1.12 -0.69 -0.23 114.38 117.47 2kzc h ARG 51 Ca 0.15 -0.02 -0.01 0.00 -1.11 0.00 0.00 59.98 58.99 2kzc h ARG 51 Cb -0.06 -0.05 -0.03 0.00 -0.01 0.00 0.00 29.97 29.83 2kzc h ARG 51 CO -0.03 0.20 -0.52 -0.22 -3.11 0.00 0.00 179.97 176.29 2kzc h LYS 52 N 0.19 -0.91 -0.32 0.20 3.11 -0.45 -1.85 116.57 116.54 2kzc h LYS 52 Ca 0.06 0.06 -0.11 0.00 -2.81 0.00 0.00 60.65 57.85 2kzc h LYS 52 Cb 0.03 0.21 -0.01 0.00 -1.00 0.00 0.00 32.23 31.46 2kzc h LYS 52 CO -0.01 -0.61 -0.25 -0.24 -2.81 0.00 0.00 179.45 175.53 2kzc h VAL 53 N -0.95 1.27 0.11 2.00 3.04 -1.02 -1.38 116.25 119.32 2kzc h VAL 53 Ca -0.05 -1.32 -0.01 0.00 -1.01 0.00 0.00 66.70 64.31 2kzc h VAL 53 Cb 0.85 1.29 0.00 0.00 -2.01 0.00 0.00 31.29 31.42 2kzc h VAL 53 CO -0.13 0.43 -0.05 -0.07 -1.01 0.00 0.00 177.57 176.74 2kzc h LEU 54 N 0.56 -0.13 -0.85 3.16 3.38 -0.96 -1.60 115.31 118.87 2kzc h LEU 54 Ca 0.08 -0.26 -0.09 0.00 0.09 0.00 0.00 57.88 57.69 2kzc h LEU 54 Cb 0.72 0.03 -0.02 0.00 0.09 0.00 0.00 40.66 41.48 2kzc h LEU 54 CO 0.06 0.20 -0.15 1.23 0.09 0.00 0.00 178.44 179.87 2kzc h GLY 55 N -0.47 0.75 2.00 0.83 0.00 -1.27 -2.82 103.07 102.09 2kzc h GLY 55 Ca -0.02 -0.58 -0.04 0.00 0.00 0.00 0.00 47.33 46.69 2kzc h GLY 55 CO 0.03 0.53 -0.20 -0.55 0.00 0.00 0.00 176.54 176.34 2kzc h ASP 56 N 0.63 0.00 1.28 0.19 3.32 -1.17 -2.86 116.42 117.81 2kzc h ASP 56 Ca 0.10 0.00 -0.04 0.00 0.02 0.00 0.00 57.03 57.11 2kzc h ASP 56 Cb 0.61 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.15 2kzc h ASP 56 CO 0.04 0.20 -0.19 -0.07 -1.72 0.00 0.00 179.24 177.51 2kzc h LEU 57 N 0.00 0.00 0.00 1.55 3.38 -1.02 -3.47 115.31 115.74 2kzc h LEU 57 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2kzc h LEU 57 Cb 0.75 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.50 2kzc h LEU 57 CO 0.03 0.19 0.00 -0.67 0.09 0.00 0.00 178.44 178.07 2kzc n ASP 58 N -3.24 -1.25 0.00 -0.43 2.03 -1.08 -1.14 116.55 111.43 2kzc n ASP 58 Ca 0.01 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.32 2kzc n ASP 58 Cb 0.49 -1.80 0.00 0.00 -0.72 0.00 0.00 41.12 39.09 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 -1.61 0.98 0.31 0.27 0.00 -1.26 -5.01 105.19 98.89 2kzc n GLY 59 Ca 0.00 -0.31 0.20 0.00 0.00 0.00 0.00 46.02 45.91 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 0.00 0.00 -3.74 1.61 1.57 -1.50 -3.43 116.57 111.08 2kzc h LYS 60 Ca 0.00 0.00 -0.12 0.00 -1.87 0.00 0.00 60.65 58.66 2kzc h LYS 60 Cb 0.07 0.00 -0.17 0.00 0.08 0.00 0.00 32.23 32.21 2kzc h LYS 60 CO 0.00 0.01 -0.47 1.03 -0.57 0.00 0.00 179.45 179.45 2kzc s ARG 61 N -4.03 0.66 0.72 3.15 1.81 -1.26 -5.08 118.95 114.92 2kzc s ARG 61 Ca -0.03 -0.76 -0.14 0.00 -1.72 0.00 0.00 55.73 53.08 2kzc s ARG 61 Cb 0.12 0.26 0.03 0.00 -0.45 0.00 0.00 34.95 34.92 2kzc s ARG 61 CO 0.47 -0.18 1.15 -1.25 -0.68 0.00 0.00 175.30 174.81 2kzc s PRO 62 N -2.83 2.32 0.22 3.54 0.04 -1.26 -4.93 135.00 132.10 2kzc s PRO 62 Ca -0.03 1.53 -0.08 0.00 0.04 0.00 0.00 61.00 62.46 2kzc s PRO 62 Cb 0.00 -1.88 0.29 0.00 0.04 0.00 0.00 34.50 32.95 2kzc s PRO 62 CO -0.05 -1.65 1.79 1.49 0.04 0.00 0.00 177.00 178.62 2kzc h GLU 63 N -0.38 0.60 -0.48 4.56 4.81 -1.98 -2.63 114.58 119.08 2kzc h GLU 63 Ca -0.46 -0.04 -0.04 0.00 -0.13 0.00 0.00 59.36 58.69 2kzc h GLU 63 Cb 1.27 -0.14 -0.02 0.00 0.63 0.00 0.00 28.75 30.49 2kzc h GLU 63 CO 0.51 0.40 0.14 0.00 -0.73 0.00 0.00 179.01 179.33 2kzc h ALA 64 N 1.39 1.34 -0.19 2.92 0.00 -1.99 0.18 119.26 122.91 2kzc h ALA 64 Ca 0.32 -0.17 -0.04 0.00 0.00 0.00 0.00 54.91 55.02 2kzc h ALA 64 Cb 0.29 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.87 2kzc h ALA 64 CO -0.23 0.47 -0.05 1.49 0.00 0.00 0.00 179.25 180.93 2kzc h GLU 65 N 0.70 0.37 -0.32 0.00 4.81 -1.93 -2.73 114.58 115.49 2kzc h GLU 65 Ca 0.16 -0.15 0.05 0.00 -0.13 0.00 0.00 59.36 59.30 2kzc h GLU 65 Cb 0.22 -0.02 -0.05 0.00 0.63 0.00 0.00 28.75 29.54 2kzc h GLU 65 CO -0.01 0.64 0.02 0.28 -0.73 0.00 0.00 179.01 179.21 2kzc h VAL 66 N 0.08 0.79 0.85 0.32 2.07 -0.86 0.55 116.25 120.07 2kzc h VAL 66 Ca 0.05 -0.04 -0.04 0.00 0.82 0.00 0.00 66.70 67.49 2kzc h VAL 66 Cb 0.51 0.66 0.00 0.00 -1.52 0.00 0.00 31.29 30.94 2kzc h VAL 66 CO 0.02 0.02 -0.48 0.03 0.02 0.00 0.00 177.57 177.18 2kzc h ARG 67 N 0.12 -1.19 -0.82 1.57 3.08 -0.76 -2.56 114.38 113.81 2kzc h ARG 67 Ca 0.15 0.08 0.10 0.00 0.07 0.00 0.00 59.98 60.38 2kzc h ARG 67 Cb 0.19 0.27 -0.07 0.00 0.08 0.00 0.00 29.97 30.44 2kzc h ARG 67 CO -0.24 -0.79 0.46 0.00 -1.07 0.00 0.00 179.97 178.33 2kzc h ALA 68 N -1.17 1.17 -0.10 0.04 0.00 -1.17 0.20 119.26 118.25 2kzc h ALA 68 Ca -0.12 0.04 0.04 0.00 0.00 0.00 0.00 54.91 54.88 2kzc h ALA 68 Cb 0.97 -0.11 -0.05 0.00 0.00 0.00 0.00 17.79 18.60 2kzc h ALA 68 CO 0.15 0.07 -0.24 -0.22 0.00 0.00 0.00 179.25 179.00 2kzc h LYS 69 N 0.76 -0.32 0.11 0.00 1.63 -0.83 -1.30 116.57 116.63 2kzc h LYS 69 Ca 0.40 0.02 -0.01 0.00 -0.85 0.00 0.00 60.65 60.22 2kzc h LYS 69 Cb 0.39 0.07 0.00 0.00 -0.60 0.00 0.00 32.23 32.10 2kzc h LYS 69 CO -0.26 -0.21 -0.05 -0.92 -3.45 0.00 0.00 179.45 174.56 2kzc h TYR 70 N -0.33 -0.13 -0.59 1.91 3.20 -0.82 -3.14 116.97 117.06 2kzc h TYR 70 Ca 0.09 -0.00 0.08 0.00 3.14 0.00 0.00 58.73 62.04 2kzc h TYR 70 Cb 0.46 0.04 -0.04 0.00 1.54 0.00 0.00 36.73 38.74 2kzc h TYR 70 CO -0.33 0.20 0.40 0.93 -1.64 0.00 0.00 178.16 177.72 2kzc h GLU 71 N -0.48 0.45 -0.00 1.82 4.39 -0.53 -0.75 114.58 119.47 2kzc h GLU 71 Ca -0.01 -0.03 0.00 0.00 0.34 0.00 0.00 59.36 59.66 2kzc h GLU 71 Cb 0.40 -0.10 0.00 0.00 -0.10 0.00 0.00 28.75 28.94 2kzc h GLU 71 CO 0.02 0.30 -0.22 0.41 -1.16 0.00 0.00 179.01 178.36 2kzc n GLY 72 N -1.50 -1.16 0.18 -3.84 0.00 -0.50 -4.21 105.19 94.15 2kzc n GLY 72 Ca 0.09 -0.26 0.12 0.00 0.00 0.00 0.00 46.02 45.97 2kzc n GLY 72 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 2kzc h LEU 73 N 0.29 0.00 -0.57 0.99 5.85 -1.08 -3.33 115.31 117.46 2kzc h LEU 73 Ca 0.00 -0.00 0.08 0.00 0.84 0.00 0.00 57.88 58.80 2kzc h LEU 73 Cb 0.45 0.00 -0.06 0.00 0.37 0.00 0.00 40.66 41.42 2kzc h LEU 73 CO 0.00 0.00 0.22 -0.03 -0.34 0.00 0.00 178.44 178.30 2kzc h MET 74 N 0.00 0.41 -0.78 1.25 4.05 -1.73 0.34 114.93 118.47 2kzc h MET 74 Ca 0.00 -0.02 0.02 0.00 -0.28 0.00 0.00 59.70 59.41 2kzc h MET 74 Cb 0.92 -0.09 -0.04 0.00 -0.80 0.00 0.00 31.60 31.58 2kzc h MET 74 CO 0.00 0.27 0.50 0.00 0.23 0.00 0.00 176.91 177.91 2kzc h ALA 75 N 1.38 1.00 -0.31 0.39 0.00 -1.90 -0.49 119.26 119.33 2kzc h ALA 75 Ca 0.28 -0.04 -0.09 0.00 0.00 0.00 0.00 54.91 55.06 2kzc h ALA 75 Cb 0.31 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 2kzc h ALA 75 CO -0.27 0.35 -0.16 0.28 0.00 0.00 0.00 179.25 179.45 2kzc h VAL 76 N 1.01 1.29 0.08 0.00 2.07 -1.25 -2.30 116.25 117.15 2kzc h VAL 76 Ca 0.30 -1.27 0.00 0.00 0.82 0.00 0.00 66.70 66.55 2kzc h VAL 76 Cb -0.06 1.45 -0.01 0.00 -1.52 0.00 0.00 31.29 31.16 2kzc h VAL 76 CO -0.09 0.41 -0.07 0.00 0.02 0.00 0.00 177.57 177.84 2kzc h ALA 77 N 0.76 -0.14 -0.05 1.67 0.00 0.01 -1.35 119.26 120.16 2kzc h ALA 77 Ca 0.07 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.96 2kzc h ALA 77 Cb 0.69 0.10 -0.00 0.00 0.00 0.00 0.00 17.79 18.58 2kzc h ALA 77 CO 0.05 -0.59 0.03 0.87 0.00 0.00 0.00 179.25 179.61 2kzc h LYS 78 N -0.16 0.07 -0.85 0.00 1.57 -1.16 -2.26 116.57 113.78 2kzc h LYS 78 Ca 0.00 -0.01 0.07 0.00 -1.87 0.00 0.00 60.65 58.85 2kzc h LYS 78 Cb 0.16 -0.01 -0.07 0.00 0.08 0.00 0.00 32.23 32.39 2kzc h LYS 78 CO -0.02 0.10 0.51 0.00 -0.57 0.00 0.00 179.45 179.47 2kzc h ALA 79 N 0.97 1.18 -0.23 3.86 0.00 -1.05 -1.25 119.26 122.75 2kzc h ALA 79 Ca 0.02 0.01 -0.16 0.00 0.00 0.00 0.00 54.91 54.77 2kzc h ALA 79 Cb 0.05 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.63 2kzc h ALA 79 CO -0.00 0.22 -0.51 1.96 0.00 0.00 0.00 179.25 180.91 2kzc h GLN 80 N 0.91 0.63 -0.09 0.00 4.20 -1.18 -3.24 115.11 116.34 2kzc h GLN 80 Ca 0.38 -0.38 -0.18 0.00 0.06 0.00 0.00 58.65 58.53 2kzc h GLN 80 Cb 0.24 0.04 -0.00 0.00 0.30 0.00 0.00 27.48 28.05 2kzc h GLN 80 CO -0.20 0.99 -0.72 1.37 -0.67 0.00 0.00 178.83 179.61 2kzc h LEU 81 N 0.50 0.51 0.00 1.46 8.10 -0.65 0.27 115.31 125.49 2kzc h LEU 81 Ca 0.02 -0.33 0.00 0.00 0.11 0.00 0.00 57.88 57.68 2kzc h LEU 81 Cb 1.06 -0.15 0.00 0.00 -0.44 0.00 0.00 40.66 41.13 2kzc h LEU 81 CO 0.10 1.06 0.00 0.23 -4.11 0.00 0.00 178.44 175.73 2kzc n MET 82 N -3.85 0.05 -0.04 0.17 2.81 -0.61 -2.72 117.12 112.93 2kzc n MET 82 Ca -0.04 0.17 -0.05 0.00 -1.81 0.00 0.00 57.70 55.97 2kzc n MET 82 Cb 0.70 -1.50 -0.05 0.00 -0.71 0.00 0.00 33.22 31.66 2kzc n MET 82 CO 0.00 0.00 0.00 -3.47 1.51 0.00 0.00 175.97 174.01 2kzc n ASP 83 N -1.46 3.18 -1.66 7.83 2.03 -0.92 -4.52 116.55 121.02 2kzc n ASP 83 Ca 0.05 -0.02 -0.01 0.00 0.52 0.00 0.00 54.79 55.32 2kzc n ASP 83 Cb 0.20 0.30 0.26 0.00 -0.72 0.00 0.00 41.12 41.16 2kzc n ASP 83 CO 0.00 0.00 0.00 -0.62 -1.92 0.00 0.00 177.20 174.66 2kzc n GLU 84 N -2.51 3.38 0.00 -0.67 -0.58 0.89 -5.10 120.64 116.05 2kzc n GLU 84 Ca -0.15 -2.34 0.02 0.00 -0.42 0.00 0.00 57.16 54.27 2kzc n GLU 84 Cb 0.72 -2.03 0.11 0.00 -0.57 0.00 0.00 31.44 29.67 2kzc n GLU 84 CO 0.00 0.00 0.00 1.47 -0.48 0.00 0.00 177.13 178.12