#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 0.00 1.61 -0.00 -1.26 -5.00 117.12 112.47 2kzc n MET 2 Ca 0.00 -0.17 0.03 0.00 -0.00 0.00 0.00 57.70 57.56 2kzc n MET 2 Cb 0.00 -0.32 0.19 0.00 -0.00 0.00 0.00 33.22 33.08 2kzc n MET 2 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 175.97 176.91 2kzc n GLN 3 N 0.00 0.54 0.03 3.17 -0.06 -1.26 -2.43 117.38 117.37 2kzc n GLN 3 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 57.00 55.00 2kzc n GLN 3 Cb 0.38 -1.18 0.00 0.00 -4.06 0.00 0.00 30.24 25.38 2kzc n GLN 3 CO 0.00 0.00 0.00 1.19 -0.20 0.00 0.00 177.06 178.05 2kzc n PHE 4 N -0.68 -0.29 0.21 3.69 3.01 -1.26 -4.19 117.46 117.95 2kzc n PHE 4 Ca 0.05 0.05 0.12 0.00 1.01 0.00 0.00 57.45 58.67 2kzc n PHE 4 Cb 0.02 0.20 0.69 0.00 -0.01 0.00 0.00 39.48 40.38 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 0.00 0.11 -1.08 1.57 -1.96 0.18 116.57 115.38 2kzc h LYS 5 Ca 0.00 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.77 2kzc h LYS 5 Cb 0.45 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.76 2kzc h LYS 5 CO 0.00 0.00 -0.05 0.00 -0.57 0.00 0.00 179.45 178.83 2kzc h ALA 6 N 1.93 -0.15 0.10 3.86 0.00 -1.75 -3.28 119.26 119.97 2kzc h ALA 6 Ca 0.05 -0.23 -0.00 0.00 0.00 0.00 0.00 54.91 54.73 2kzc h ALA 6 Cb 0.22 0.06 -0.00 0.00 0.00 0.00 0.00 17.79 18.07 2kzc h ALA 6 CO -0.00 -0.19 -0.07 1.49 0.00 0.00 0.00 179.25 180.48 2kzc h GLU 7 N -0.94 -0.16 0.00 0.00 4.81 -1.57 -0.90 114.58 115.83 2kzc h GLU 7 Ca -0.02 0.01 -0.00 0.00 -0.13 0.00 0.00 59.36 59.23 2kzc h GLU 7 Cb 0.50 0.04 -0.00 0.00 0.63 0.00 0.00 28.75 29.92 2kzc h GLU 7 CO 0.03 -0.11 -0.00 0.00 -0.73 0.00 0.00 179.01 178.20 2kzc h ALA 8 N -1.75 1.01 0.22 2.92 0.00 -0.90 0.19 119.26 120.94 2kzc h ALA 8 Ca -0.01 -0.00 -0.33 0.00 0.00 0.00 0.00 54.91 54.57 2kzc h ALA 8 Cb 0.14 -0.00 0.03 0.00 0.00 0.00 0.00 17.79 17.95 2kzc h ALA 8 CO 0.01 0.00 -1.52 -0.09 0.00 0.00 0.00 179.25 177.65 2kzc h ARG 9 N 0.00 0.46 -0.43 0.00 9.65 -1.57 -1.71 114.38 120.78 2kzc h ARG 9 Ca -0.00 -0.79 0.08 0.00 -1.10 0.00 0.00 59.98 58.17 2kzc h ARG 9 Cb 0.08 0.29 -0.07 0.00 -1.39 0.00 0.00 29.97 28.89 2kzc h ARG 9 CO 0.00 1.38 -0.00 -0.09 2.80 0.00 0.00 179.97 184.06 2kzc h ARG 10 N 0.06 0.10 0.10 0.20 1.12 0.14 -0.71 114.38 115.40 2kzc h ARG 10 Ca -0.28 -0.01 -0.00 0.00 -1.11 0.00 0.00 59.98 58.58 2kzc h ARG 10 Cb 2.08 -0.02 0.00 0.00 -0.01 0.00 0.00 29.97 32.02 2kzc h ARG 10 CO 0.22 0.07 -0.05 -0.91 -3.11 0.00 0.00 179.97 176.19 2kzc h ASN 11 N 0.11 -0.12 -0.19 -3.80 4.21 -1.09 -1.28 115.58 113.43 2kzc h ASN 11 Ca 0.21 -0.27 0.05 0.00 1.21 0.00 0.00 56.30 57.51 2kzc h ASN 11 Cb 0.31 0.03 -0.06 0.00 -1.12 0.00 0.00 38.32 37.48 2kzc h ASN 11 CO -0.36 0.21 -0.17 0.50 -1.29 0.00 0.00 177.43 176.32 2kzc h LYS 12 N -0.46 -0.18 -0.99 0.81 3.64 -1.23 -2.23 116.57 115.93 2kzc h LYS 12 Ca -0.01 0.01 0.07 0.00 -1.27 0.00 0.00 60.65 59.45 2kzc h LYS 12 Cb 0.38 0.04 -0.07 0.00 -0.41 0.00 0.00 32.23 32.17 2kzc h LYS 12 CO 0.02 -0.12 0.64 -0.07 -2.27 0.00 0.00 179.45 177.65 2kzc h LEU 13 N -0.19 1.01 -0.84 5.20 3.38 -0.92 -1.07 115.31 121.88 2kzc h LEU 13 Ca 0.12 0.01 0.05 0.00 0.09 0.00 0.00 57.88 58.15 2kzc h LEU 13 Cb 0.36 -0.20 -0.06 0.00 0.09 0.00 0.00 40.66 40.86 2kzc h LEU 13 CO -0.30 0.63 0.52 -0.03 0.09 0.00 0.00 178.44 179.36 2kzc h MET 14 N 1.14 0.95 -0.87 1.13 4.05 -0.63 -2.30 114.93 118.40 2kzc h MET 14 Ca 0.44 -0.06 0.05 0.00 -0.28 0.00 0.00 59.70 59.85 2kzc h MET 14 Cb 0.21 -0.22 -0.06 0.00 -0.80 0.00 0.00 31.60 30.74 2kzc h MET 14 CO -0.18 0.63 0.55 0.78 0.23 0.00 0.00 176.91 178.92 2kzc h GLY 15 N 0.98 1.30 1.32 1.39 0.00 -0.90 -0.56 103.07 106.59 2kzc h GLY 15 Ca 0.35 -0.41 -0.06 0.00 0.00 0.00 0.00 47.33 47.22 2kzc h GLY 15 CO -0.15 0.31 0.12 1.41 0.00 0.00 0.00 176.54 178.23 2kzc h LEU 16 N 1.03 0.80 0.35 3.11 -0.00 -1.21 0.12 115.31 119.51 2kzc h LEU 16 Ca 0.37 -0.15 -0.02 0.00 -0.00 0.00 0.00 57.88 58.08 2kzc h LEU 16 Cb 0.11 -0.21 0.00 0.00 -0.00 0.00 0.00 40.66 40.56 2kzc h LEU 16 CO -0.15 0.79 -0.17 -0.25 -0.00 0.00 0.00 178.44 178.67 2kzc h TRP 17 N 0.82 -0.43 -0.69 1.13 7.01 -1.24 -2.84 115.95 119.71 2kzc h TRP 17 Ca 0.18 -0.01 0.03 0.00 2.11 0.00 0.00 58.89 61.20 2kzc h TRP 17 Cb 0.32 0.14 -0.04 0.00 -2.10 0.00 0.00 29.16 27.48 2kzc h TRP 17 CO 0.02 -0.10 0.43 0.28 -2.79 0.00 0.00 178.44 176.28 2kzc h VAL 18 N -0.83 1.09 -0.60 2.65 2.07 -0.97 -2.11 116.25 117.55 2kzc h VAL 18 Ca -0.05 -0.29 0.05 0.00 0.82 0.00 0.00 66.70 67.23 2kzc h VAL 18 Cb 0.53 0.17 -0.05 0.00 -1.52 0.00 0.00 31.29 30.42 2kzc h VAL 18 CO 0.08 0.15 0.33 0.00 0.02 0.00 0.00 177.57 178.15 2kzc h ALA 19 N 1.30 0.79 -0.82 1.67 0.00 -0.83 0.54 119.26 121.91 2kzc h ALA 19 Ca 0.28 0.01 -0.04 0.00 0.00 0.00 0.00 54.91 55.16 2kzc h ALA 19 Cb 0.03 -0.11 -0.04 0.00 0.00 0.00 0.00 17.79 17.67 2kzc h ALA 19 CO -0.11 0.01 0.35 1.49 0.00 0.00 0.00 179.25 180.98 2kzc h GLU 20 N 0.62 1.21 -0.15 0.00 4.81 -1.16 0.56 114.58 120.47 2kzc h GLU 20 Ca 0.26 -0.21 -0.05 0.00 -0.13 0.00 0.00 59.36 59.23 2kzc h GLU 20 Cb 0.15 -0.20 -0.01 0.00 0.63 0.00 0.00 28.75 29.31 2kzc h GLU 20 CO -0.16 0.96 -0.14 0.28 -0.73 0.00 0.00 179.01 179.21 2kzc h VAL 21 N 1.18 1.19 0.00 0.32 2.07 -0.66 -0.27 116.25 120.09 2kzc h VAL 21 Ca 0.27 -0.83 0.00 0.00 0.82 0.00 0.00 66.70 66.96 2kzc h VAL 21 Cb 0.19 1.23 0.00 0.00 -1.52 0.00 0.00 31.29 31.19 2kzc h VAL 21 CO -0.03 0.26 0.00 0.18 0.02 0.00 0.00 177.57 178.00 2kzc n LEU 22 N -4.26 0.00 -1.91 2.57 4.32 0.09 -4.89 117.00 112.92 2kzc n LEU 22 Ca -0.01 0.02 -0.16 0.00 -0.02 0.00 0.00 56.01 55.84 2kzc n LEU 22 Cb 0.28 -0.02 -0.00 0.00 -1.62 0.00 0.00 43.42 42.06 2kzc n LEU 22 CO 0.38 -0.01 -0.18 0.61 -1.22 0.00 0.00 177.39 176.98 2kzc n GLY 23 N 0.40 -0.29 3.92 -0.72 0.00 -0.11 -5.02 105.19 103.37 2kzc n GLY 23 Ca 0.16 -0.19 -0.26 0.00 0.00 0.00 0.00 46.02 45.73 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 -4.89 3.55 0.37 1.61 1.02 0.11 -5.00 119.74 116.51 2kzc s LYS 24 Ca 0.03 -0.11 -0.06 0.00 0.02 0.00 0.00 55.97 55.85 2kzc s LYS 24 Cb -0.01 -2.61 0.02 0.00 -0.52 0.00 0.00 37.83 34.71 2kzc s LYS 24 CO 0.04 0.12 0.59 -1.12 -0.92 0.00 0.00 175.35 174.06 2kzc s SER 25 N -3.68 0.71 0.82 2.83 0.01 -1.26 -4.08 113.70 109.05 2kzc s SER 25 Ca 0.43 -1.42 0.00 0.00 1.31 0.00 0.00 55.95 56.26 2kzc s SER 25 Cb -0.10 0.74 0.00 0.00 0.21 0.00 0.00 66.02 66.87 2kzc s SER 25 CO 0.35 -1.46 0.00 0.61 0.41 0.00 0.00 173.24 173.15 2kzc n GLY 26 N -0.57 1.87 0.10 3.44 0.00 -1.26 -1.06 105.19 107.70 2kzc n GLY 26 Ca -0.02 0.48 0.00 0.00 0.00 0.00 0.00 46.02 46.48 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 0.00 0.00 -0.25 1.61 5.19 -1.99 -3.24 116.42 117.74 2kzc h ASP 27 Ca 0.00 0.00 -0.01 0.00 -0.62 0.00 0.00 57.03 56.40 2kzc h ASP 27 Cb 0.00 0.00 -0.01 0.00 0.18 0.00 0.00 39.33 39.50 2kzc h ASP 27 CO 0.00 0.59 0.13 -0.33 -3.12 0.00 0.00 179.24 176.51 2kzc h GLU 28 N 0.00 0.35 -0.19 3.56 5.08 -1.50 0.63 114.58 122.52 2kzc h GLU 28 Ca -0.12 -0.05 -0.03 0.00 -1.00 0.00 0.00 59.36 58.17 2kzc h GLU 28 Cb 1.56 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 30.73 2kzc h GLU 28 CO 0.06 0.33 0.00 0.00 -1.00 0.00 0.00 179.01 178.40 2kzc h ALA 29 N 1.00 1.66 -0.12 3.43 0.00 -1.56 0.70 119.26 124.38 2kzc h ALA 29 Ca 0.09 -0.12 -0.20 0.00 0.00 0.00 0.00 54.91 54.68 2kzc h ALA 29 Cb 0.09 -0.09 0.01 0.00 0.00 0.00 0.00 17.79 17.80 2kzc h ALA 29 CO -0.01 0.26 -0.70 -0.91 0.00 0.00 0.00 179.25 177.88 2kzc h ASN 30 N 0.27 0.83 -0.71 0.00 2.35 -1.43 -1.41 115.58 115.48 2kzc h ASN 30 Ca 0.07 -0.65 -0.05 0.00 -0.55 0.00 0.00 56.30 55.12 2kzc h ASN 30 Cb 0.18 -0.24 -0.03 0.00 0.05 0.00 0.00 38.32 38.28 2kzc h ASN 30 CO 0.00 1.34 0.26 0.00 -1.65 0.00 0.00 177.43 177.39 2kzc h ALA 31 N 0.50 0.92 -0.73 -0.83 0.00 -0.50 -2.76 119.26 115.87 2kzc h ALA 31 Ca -0.05 -0.20 -0.00 0.00 0.00 0.00 0.00 54.91 54.66 2kzc h ALA 31 Cb 1.34 -0.28 -0.04 0.00 0.00 0.00 0.00 17.79 18.82 2kzc h ALA 31 CO 0.14 0.57 0.44 -0.92 0.00 0.00 0.00 179.25 179.48 2kzc h TYR 32 N 1.02 0.96 0.00 0.00 5.03 -0.82 -1.42 116.97 121.75 2kzc h TYR 32 Ca 0.23 -0.00 0.00 0.00 2.58 0.00 0.00 58.73 61.54 2kzc h TYR 32 Cb 0.24 -0.31 0.00 0.00 1.55 0.00 0.00 36.73 38.21 2kzc h TYR 32 CO 0.02 0.64 0.00 0.00 -1.32 0.00 0.00 178.16 177.50 2kzc n ALA 33 N -2.33 1.94 -0.13 1.82 0.00 -0.54 -2.63 120.51 118.64 2kzc n ALA 33 Ca 0.06 -0.06 -0.27 0.00 0.00 0.00 0.00 53.44 53.18 2kzc n ALA 33 Cb 0.06 -1.16 -0.11 0.00 0.00 0.00 0.00 19.45 18.24 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 -0.90 1.19 -0.24 0.00 0.00 -0.54 -4.39 120.51 115.63 2kzc n ALA 34 Ca 0.07 -1.03 -0.04 0.00 0.00 0.00 0.00 53.44 52.44 2kzc n ALA 34 Cb 0.03 0.00 0.07 0.00 0.00 0.00 0.00 19.45 19.56 2kzc n ALA 34 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 177.50 178.55 2kzc h GLU 35 N -0.81 0.84 -0.56 0.00 4.11 -1.43 -2.34 114.58 114.39 2kzc h GLU 35 Ca -0.64 -0.05 0.10 0.00 0.07 0.00 0.00 59.36 58.84 2kzc h GLU 35 Cb 1.64 -0.19 -0.03 0.00 0.50 0.00 0.00 28.75 30.67 2kzc h GLU 35 CO -0.34 0.55 0.38 0.28 0.07 0.00 0.00 179.01 179.96 2kzc h VAL 36 N 0.86 0.87 0.00 -1.06 2.07 -1.75 -1.83 116.25 115.41 2kzc h VAL 36 Ca 0.27 -0.11 -0.11 0.00 0.82 0.00 0.00 66.70 67.57 2kzc h VAL 36 Cb -0.01 0.52 -0.02 0.00 -1.52 0.00 0.00 31.29 30.26 2kzc h VAL 36 CO -0.09 0.06 -0.51 0.58 0.02 0.00 0.00 177.57 177.62 2kzc h VAL 37 N 0.32 1.24 -0.20 2.57 2.07 -1.62 -3.38 116.25 117.25 2kzc h VAL 37 Ca 0.26 -1.83 0.00 0.00 0.82 0.00 0.00 66.70 65.95 2kzc h VAL 37 Cb 0.60 2.02 0.00 0.00 -1.52 0.00 0.00 31.29 32.39 2kzc h VAL 37 CO -0.06 0.50 0.00 1.17 0.02 0.00 0.00 177.57 179.20 2kzc n LYS 38 N -3.75 1.77 0.00 1.57 4.81 -0.69 -4.25 118.16 117.63 2kzc n LYS 38 Ca -0.01 -0.84 0.00 0.00 -0.87 0.00 0.00 58.31 56.59 2kzc n LYS 38 Cb 0.56 -1.40 0.00 0.00 0.02 0.00 0.00 35.03 34.20 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 0.16 1.99 1.36 3.14 0.00 -1.26 -4.65 120.51 121.25 2kzc n ALA 39 Ca 0.08 -0.71 0.08 0.00 0.00 0.00 0.00 53.44 52.89 2kzc n ALA 39 Cb 0.33 0.00 0.33 0.00 0.00 0.00 0.00 19.45 20.11 2kzc n ALA 39 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 2kzc n ASP 40 N -0.24 1.26 0.03 0.00 5.68 -1.26 -4.21 116.55 117.81 2kzc n ASP 40 Ca 0.00 -1.74 -0.19 0.00 -0.50 0.00 0.00 54.79 52.36 2kzc n ASP 40 Cb 0.17 -0.11 -0.13 0.00 -1.14 0.00 0.00 41.12 39.92 2kzc n ASP 40 CO 0.00 0.00 0.00 -0.26 -1.33 0.00 0.00 177.20 175.61 2kzc h PHE 41 N 1.57 0.52 0.00 2.11 0.04 -1.92 -3.42 116.94 115.85 2kzc h PHE 41 Ca 0.00 -0.35 0.00 0.00 2.80 0.00 0.00 57.97 60.42 2kzc h PHE 41 Cb 0.35 -0.04 0.00 0.00 2.20 0.00 0.00 35.95 38.46 2kzc h PHE 41 CO 0.11 1.23 0.00 0.39 -0.60 0.00 0.00 178.31 179.43 2kzc n GLU 42 N -4.20 0.00 -2.58 1.51 -0.58 -1.26 -4.90 120.64 108.64 2kzc n GLU 42 Ca -0.12 0.33 -0.42 0.00 -0.42 0.00 0.00 57.16 56.53 2kzc n GLU 42 Cb 0.74 -0.82 -0.03 0.00 -0.57 0.00 0.00 31.44 30.76 2kzc n GLU 42 CO 0.00 0.00 0.00 -1.21 -0.48 0.00 0.00 177.13 175.44 2kzc s GLU 43 N -0.93 4.49 -0.20 3.49 8.01 -1.26 -4.90 118.70 127.41 2kzc s GLU 43 Ca 0.00 1.58 -0.28 0.00 0.01 0.00 0.00 54.97 56.28 2kzc s GLU 43 Cb 0.00 -3.42 -0.05 0.00 -4.31 0.00 0.00 34.13 26.35 2kzc s GLU 43 CO 0.00 -0.16 2.14 0.00 0.01 0.00 0.00 175.26 177.25 2kzc s ALA 44 N 1.11 2.84 0.00 5.21 0.00 -1.26 -4.25 121.76 125.42 2kzc s ALA 44 Ca 0.55 0.79 0.00 0.00 0.00 0.00 0.00 51.96 53.29 2kzc s ALA 44 Cb -0.25 -4.04 0.00 0.00 0.00 0.00 0.00 23.12 18.83 2kzc s ALA 44 CO 0.28 -2.63 0.00 0.41 0.00 0.00 0.00 175.76 173.81 2kzc n GLY 45 N 5.58 2.02 0.00 0.00 0.00 -1.26 -3.71 105.19 107.82 2kzc n GLY 45 Ca 0.28 0.06 0.00 0.00 0.00 0.00 0.00 46.02 46.36 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 0.00 0.19 1.61 -0.00 -1.26 -4.67 115.22 111.09 2kzc n HIS 46 Ca 0.00 -0.05 0.03 0.00 -0.00 0.00 0.00 57.72 57.70 2kzc n HIS 46 Cb 0.00 -0.01 0.42 0.00 -0.00 0.00 0.00 29.99 30.41 2kzc n HIS 46 CO 0.00 0.00 0.00 0.93 -0.00 0.00 0.00 176.34 177.27 2kzc h GLU 47 N 0.00 0.05 0.00 -1.40 5.08 -1.77 -1.58 114.58 114.96 2kzc h GLU 47 Ca 0.00 -0.01 -0.21 0.00 -1.00 0.00 0.00 59.36 58.14 2kzc h GLU 47 Cb 0.47 -0.01 -0.04 0.00 0.50 0.00 0.00 28.75 29.68 2kzc h GLU 47 CO 0.00 0.30 -2.04 -3.47 -1.00 0.00 0.00 179.01 172.80 2kzc n ASP 48 N -4.22 0.20 0.02 1.42 2.03 -1.26 -4.18 116.55 110.55 2kzc n ASP 48 Ca -0.02 0.09 -0.10 0.00 0.52 0.00 0.00 54.79 55.28 2kzc n ASP 48 Cb 0.31 1.11 -0.04 0.00 -0.72 0.00 0.00 41.12 41.79 2kzc n ASP 48 CO 0.00 0.00 0.00 0.58 -1.92 0.00 0.00 177.20 175.86 2kzc h VAL 49 N 0.00 0.74 -0.20 5.18 2.07 -1.67 -1.17 116.25 121.19 2kzc h VAL 49 Ca -0.28 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.22 2kzc h VAL 49 Cb 1.70 0.74 -0.01 0.00 -1.52 0.00 0.00 31.29 32.20 2kzc h VAL 49 CO 0.02 0.00 0.07 0.24 0.02 0.00 0.00 177.57 177.93 2kzc h MET 50 N -0.13 0.31 -0.97 1.57 2.86 -1.51 -2.37 114.93 114.69 2kzc h MET 50 Ca 0.06 -0.06 0.26 0.00 -2.06 0.00 0.00 59.70 57.90 2kzc h MET 50 Cb 0.22 -0.05 -0.06 0.00 0.06 0.00 0.00 31.60 31.77 2kzc h MET 50 CO -0.15 0.39 0.67 0.00 1.06 0.00 0.00 176.91 178.88 2kzc h ARG 51 N 0.17 0.20 0.45 1.72 2.47 -1.67 -0.19 114.38 117.53 2kzc h ARG 51 Ca 0.07 -0.01 -0.02 0.00 -1.26 0.00 0.00 59.98 58.75 2kzc h ARG 51 Cb 0.20 -0.05 0.00 0.00 -1.65 0.00 0.00 29.97 28.48 2kzc h ARG 51 CO -0.00 0.13 -0.22 -0.22 0.56 0.00 0.00 179.97 180.22 2kzc h LYS 52 N 0.21 -0.58 -0.41 0.04 3.11 -0.67 -1.31 116.57 116.96 2kzc h LYS 52 Ca 0.50 0.04 -0.11 0.00 -2.81 0.00 0.00 60.65 58.26 2kzc h LYS 52 Cb 1.59 0.13 -0.01 0.00 -1.00 0.00 0.00 32.23 32.94 2kzc h LYS 52 CO -0.12 -0.28 -0.20 -0.39 -2.81 0.00 0.00 179.45 175.64 2kzc h VAL 53 N -0.99 1.27 -0.07 2.00 -1.51 -1.35 -1.08 116.25 114.52 2kzc h VAL 53 Ca -0.06 -1.32 -0.10 0.00 -1.23 0.00 0.00 66.70 63.99 2kzc h VAL 53 Cb 0.57 1.18 -0.01 0.00 -2.13 0.00 0.00 31.29 30.89 2kzc h VAL 53 CO 0.10 0.44 -0.43 -0.07 -1.23 0.00 0.00 177.57 176.39 2kzc h LEU 54 N 0.70 0.15 0.18 4.19 -0.00 -1.10 -0.66 115.31 118.78 2kzc h LEU 54 Ca 0.10 -0.06 -0.01 0.00 -0.00 0.00 0.00 57.88 57.91 2kzc h LEU 54 Cb 0.72 -0.04 0.00 0.00 -0.00 0.00 0.00 40.66 41.34 2kzc h LEU 54 CO 0.06 0.57 -0.09 1.23 -0.00 0.00 0.00 178.44 180.20 2kzc h GLY 55 N 1.27 -0.26 0.51 0.83 0.00 -1.06 -3.36 103.07 101.00 2kzc h GLY 55 Ca 0.01 0.10 0.07 0.00 0.00 0.00 0.00 47.33 47.51 2kzc h GLY 55 CO 0.06 -0.09 0.19 -0.55 0.00 0.00 0.00 176.54 176.15 2kzc h ASP 56 N -0.79 0.20 -0.03 0.19 5.19 -1.02 -2.38 116.42 117.77 2kzc h ASP 56 Ca -0.03 0.06 0.01 0.00 -0.62 0.00 0.00 57.03 56.46 2kzc h ASP 56 Cb 0.52 0.04 -0.00 0.00 0.18 0.00 0.00 39.33 40.07 2kzc h ASP 56 CO 0.04 0.14 0.04 -0.07 -3.12 0.00 0.00 179.24 176.27 2kzc h LEU 57 N 0.37 0.00 1.80 1.55 3.38 -1.26 -3.46 115.31 117.69 2kzc h LEU 57 Ca 0.25 0.00 -0.42 0.00 0.09 0.00 0.00 57.88 57.80 2kzc h LEU 57 Cb 0.27 0.00 -0.11 0.00 0.09 0.00 0.00 40.66 40.92 2kzc h LEU 57 CO -0.25 0.00 -0.45 -0.67 0.09 0.00 0.00 178.44 177.16 2kzc n ASP 58 N -3.60 -5.65 0.00 -0.43 2.03 -0.90 -1.22 116.55 106.78 2kzc n ASP 58 Ca -0.02 0.30 0.00 0.00 0.52 0.00 0.00 54.79 55.59 2kzc n ASP 58 Cb 0.13 -4.87 0.00 0.00 -0.72 0.00 0.00 41.12 35.65 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 -0.64 0.56 0.32 0.27 0.00 -1.26 -4.96 105.19 99.49 2kzc n GLY 59 Ca -0.22 -0.48 0.19 0.00 0.00 0.00 0.00 46.02 45.50 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 0.72 0.00 -4.35 1.61 1.57 -1.55 -3.43 116.57 111.14 2kzc h LYS 60 Ca 0.00 0.00 -0.15 0.00 -1.87 0.00 0.00 60.65 58.63 2kzc h LYS 60 Cb 0.00 0.00 -0.15 0.00 0.08 0.00 0.00 32.23 32.16 2kzc h LYS 60 CO 0.00 0.00 -0.67 1.03 -0.57 0.00 0.00 179.45 179.24 2kzc s ARG 61 N -4.37 0.74 0.66 3.15 1.81 -1.26 -5.14 118.95 114.54 2kzc s ARG 61 Ca -0.05 -1.31 -0.14 0.00 -1.72 0.00 0.00 55.73 52.51 2kzc s ARG 61 Cb 0.14 0.17 -0.00 0.00 -0.45 0.00 0.00 34.95 34.81 2kzc s ARG 61 CO 0.47 -0.15 1.09 -1.25 -0.68 0.00 0.00 175.30 174.78 2kzc s PRO 62 N -3.95 2.85 0.17 3.54 0.04 -1.26 -4.97 135.00 131.42 2kzc s PRO 62 Ca 0.13 1.30 -0.11 0.00 0.04 0.00 0.00 61.00 62.36 2kzc s PRO 62 Cb 0.08 -1.96 0.07 0.00 0.04 0.00 0.00 34.50 32.73 2kzc s PRO 62 CO -0.06 -1.20 1.70 1.49 0.04 0.00 0.00 177.00 178.98 2kzc h GLU 63 N -0.07 0.93 -0.68 4.56 4.81 -1.99 -2.79 114.58 119.35 2kzc h GLU 63 Ca -0.46 -0.20 0.08 0.00 -0.13 0.00 0.00 59.36 58.65 2kzc h GLU 63 Cb 1.24 -0.14 -0.07 0.00 0.63 0.00 0.00 28.75 30.42 2kzc h GLU 63 CO 0.55 0.83 0.34 0.00 -0.73 0.00 0.00 179.01 180.00 2kzc h ALA 64 N 1.06 0.92 0.50 2.92 0.00 -1.99 0.48 119.26 123.15 2kzc h ALA 64 Ca 0.19 0.05 -0.02 0.00 0.00 0.00 0.00 54.91 55.13 2kzc h ALA 64 Cb 0.28 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.02 2kzc h ALA 64 CO -0.01 -0.04 -0.24 1.49 0.00 0.00 0.00 179.25 180.46 2kzc h GLU 65 N 0.60 -0.64 -0.25 0.00 4.81 -1.95 -2.91 114.58 114.23 2kzc h GLU 65 Ca 0.33 0.04 -0.02 0.00 -0.13 0.00 0.00 59.36 59.59 2kzc h GLU 65 Cb 0.31 0.15 -0.01 0.00 0.63 0.00 0.00 28.75 29.83 2kzc h GLU 65 CO -0.24 -0.37 0.10 0.28 -0.73 0.00 0.00 179.01 178.04 2kzc h VAL 66 N -0.81 1.17 -0.44 0.32 2.07 -1.11 0.91 116.25 118.37 2kzc h VAL 66 Ca -0.07 -0.53 -0.07 0.00 0.82 0.00 0.00 66.70 66.85 2kzc h VAL 66 Cb 0.57 1.06 -0.02 0.00 -1.52 0.00 0.00 31.29 31.38 2kzc h VAL 66 CO 0.11 0.18 -0.01 0.08 0.02 0.00 0.00 177.57 177.95 2kzc h ARG 67 N 0.25 0.71 -0.20 1.57 0.11 -1.05 -2.39 114.38 113.39 2kzc h ARG 67 Ca 0.08 -0.19 -0.18 0.00 0.10 0.00 0.00 59.98 59.79 2kzc h ARG 67 Cb 0.19 -0.09 -0.00 0.00 1.11 0.00 0.00 29.97 31.18 2kzc h ARG 67 CO -0.01 0.74 -0.61 0.00 0.10 0.00 0.00 179.97 180.19 2kzc h ALA 68 N 1.32 0.54 -0.31 0.08 0.00 -1.25 -2.63 119.26 117.01 2kzc h ALA 68 Ca 0.13 -0.54 0.07 0.00 0.00 0.00 0.00 54.91 54.57 2kzc h ALA 68 Cb 0.44 -0.07 -0.07 0.00 0.00 0.00 0.00 17.79 18.09 2kzc h ALA 68 CO 0.02 0.70 -0.13 -0.22 0.00 0.00 0.00 179.25 179.61 2kzc h LYS 69 N 0.51 -0.08 0.52 0.00 1.63 -0.49 -1.36 116.57 117.29 2kzc h LYS 69 Ca -0.01 0.01 -0.01 0.00 -0.85 0.00 0.00 60.65 59.78 2kzc h LYS 69 Cb 1.20 0.02 -0.02 0.00 -0.60 0.00 0.00 32.23 32.83 2kzc h LYS 69 CO 0.12 -0.05 -0.48 -0.92 -3.45 0.00 0.00 179.45 174.67 2kzc h TYR 70 N -0.08 -1.31 -0.54 1.91 3.20 -1.33 -2.49 116.97 116.32 2kzc h TYR 70 Ca 0.16 0.01 0.02 0.00 3.14 0.00 0.00 58.73 62.05 2kzc h TYR 70 Cb 0.32 0.51 -0.03 0.00 1.54 0.00 0.00 36.73 39.07 2kzc h TYR 70 CO -0.34 -0.65 0.34 0.93 -1.64 0.00 0.00 178.16 176.80 2kzc h GLU 71 N -0.99 0.67 0.00 1.82 4.39 -1.34 -1.91 114.58 117.23 2kzc h GLU 71 Ca -0.06 -0.04 -0.02 0.00 0.34 0.00 0.00 59.36 59.58 2kzc h GLU 71 Cb 0.85 -0.15 -0.00 0.00 -0.10 0.00 0.00 28.75 29.35 2kzc h GLU 71 CO -0.04 0.44 -0.07 0.78 -1.16 0.00 0.00 179.01 178.96 2kzc h GLY 72 N 0.69 0.00 2.00 -3.84 0.00 -1.17 -2.62 103.07 98.13 2kzc h GLY 72 Ca 0.21 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.54 2kzc h GLY 72 CO -0.07 0.00 0.00 -2.00 0.00 0.00 0.00 176.54 174.47 2kzc h LEU 73 N 0.00 0.00 -0.68 3.11 5.85 -0.87 -3.22 115.31 119.50 2kzc h LEU 73 Ca -0.00 0.00 0.06 0.00 0.84 0.00 0.00 57.88 58.78 2kzc h LEU 73 Cb 0.19 0.00 -0.05 0.00 0.37 0.00 0.00 40.66 41.16 2kzc h LEU 73 CO 0.01 0.00 0.38 -0.03 -0.34 0.00 0.00 178.44 178.46 2kzc h MET 74 N 0.00 0.69 -0.75 1.25 4.05 -1.55 0.30 114.93 118.92 2kzc h MET 74 Ca 0.00 -0.04 -0.01 0.00 -0.28 0.00 0.00 59.70 59.37 2kzc h MET 74 Cb 0.52 -0.16 -0.04 0.00 -0.80 0.00 0.00 31.60 31.13 2kzc h MET 74 CO 0.00 0.46 0.43 0.00 0.23 0.00 0.00 176.91 178.03 2kzc h ALA 75 N 1.35 0.96 -0.22 0.39 0.00 -1.79 -2.23 119.26 117.72 2kzc h ALA 75 Ca 0.30 -0.10 -0.14 0.00 0.00 0.00 0.00 54.91 54.97 2kzc h ALA 75 Cb 0.18 -0.30 0.00 0.00 0.00 0.00 0.00 17.79 17.67 2kzc h ALA 75 CO -0.18 0.45 -0.41 0.28 0.00 0.00 0.00 179.25 179.40 2kzc h VAL 76 N 1.03 1.32 -0.44 0.00 2.07 -1.37 -0.44 116.25 118.42 2kzc h VAL 76 Ca 0.27 -1.62 0.07 0.00 0.82 0.00 0.00 66.70 66.23 2kzc h VAL 76 Cb 0.00 1.81 -0.06 0.00 -1.52 0.00 0.00 31.29 31.53 2kzc h VAL 76 CO -0.05 0.51 0.11 0.00 0.02 0.00 0.00 177.57 178.16 2kzc h ALA 77 N 0.62 0.50 -0.34 1.67 0.00 -0.37 -0.97 119.26 120.36 2kzc h ALA 77 Ca 0.01 0.08 -0.13 0.00 0.00 0.00 0.00 54.91 54.87 2kzc h ALA 77 Cb 1.01 0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.88 2kzc h ALA 77 CO 0.09 -0.29 -0.31 0.87 0.00 0.00 0.00 179.25 179.61 2kzc h LYS 78 N 0.25 0.74 0.06 0.00 1.57 -1.30 -2.51 116.57 115.38 2kzc h LYS 78 Ca 0.22 -0.34 0.03 0.00 -1.87 0.00 0.00 60.65 58.68 2kzc h LYS 78 Cb 0.26 -0.01 -0.05 0.00 0.08 0.00 0.00 32.23 32.51 2kzc h LYS 78 CO -0.26 0.95 -0.34 0.00 -0.57 0.00 0.00 179.45 179.23 2kzc h ALA 79 N 1.02 -0.54 -0.55 3.86 0.00 -0.30 -2.88 119.26 119.86 2kzc h ALA 79 Ca 0.07 -0.04 0.04 0.00 0.00 0.00 0.00 54.91 54.98 2kzc h ALA 79 Cb 0.84 0.58 -0.03 0.00 0.00 0.00 0.00 17.79 19.18 2kzc h ALA 79 CO 0.07 -0.87 0.37 1.96 0.00 0.00 0.00 179.25 180.78 2kzc h GLN 80 N -0.53 0.59 -0.09 0.00 4.20 -1.03 -1.95 115.11 116.30 2kzc h GLN 80 Ca 0.04 -0.04 0.01 0.00 0.06 0.00 0.00 58.65 58.73 2kzc h GLN 80 Cb 0.59 -0.13 -0.01 0.00 0.30 0.00 0.00 27.48 28.23 2kzc h GLN 80 CO -0.24 0.39 0.04 -0.07 -0.67 0.00 0.00 178.83 178.28 2kzc h LEU 81 N 0.61 0.05 -0.50 1.46 3.38 -1.23 0.27 115.31 119.35 2kzc h LEU 81 Ca 0.23 0.01 -0.04 0.00 0.09 0.00 0.00 57.88 58.17 2kzc h LEU 81 Cb 0.14 -0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.88 2kzc h LEU 81 CO -0.06 0.05 -0.17 0.24 0.09 0.00 0.00 178.44 178.58 2kzc h MET 82 N 0.09 0.00 -0.08 1.13 2.86 -1.46 -2.84 114.93 114.64 2kzc h MET 82 Ca 0.04 0.00 -0.03 0.00 -2.06 0.00 0.00 59.70 57.64 2kzc h MET 82 Cb 0.01 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 31.67 2kzc h MET 82 CO -0.03 0.17 -0.09 0.22 1.06 0.00 0.00 176.91 178.24 2kzc h ASP 83 N 0.00 0.21 0.07 1.22 1.82 -0.92 -3.19 116.42 115.62 2kzc h ASP 83 Ca -0.00 -0.49 0.00 0.00 -0.39 0.00 0.00 57.03 56.14 2kzc h ASP 83 Cb 0.95 -0.06 0.00 0.00 0.68 0.00 0.00 39.33 40.90 2kzc h ASP 83 CO 0.02 0.66 0.00 -0.62 -1.61 0.00 0.00 179.24 177.70 2kzc n GLU 84 N -4.68 0.47 0.00 0.28 1.02 0.92 -5.08 120.64 113.56 2kzc n GLU 84 Ca -0.07 0.03 0.14 0.00 -0.02 0.00 0.00 57.16 57.24 2kzc n GLU 84 Cb 0.32 -1.50 0.58 0.00 -0.02 0.00 0.00 31.44 30.82 2kzc n GLU 84 CO 0.00 0.00 0.00 -0.11 1.18 0.00 0.00 177.13 178.20