#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 3.81 -1.16 1.61 -0.00 -1.26 -4.86 117.12 115.26 2kzc n MET 2 Ca 0.00 0.00 -0.06 0.00 -0.00 0.00 0.00 57.70 57.64 2kzc n MET 2 Cb 0.00 0.00 -0.02 0.00 -0.00 0.00 0.00 33.22 33.20 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 -1.44 0.14 3.17 -0.06 -1.26 -4.59 117.38 113.34 2kzc n GLN 3 Ca 0.00 0.63 0.00 0.00 -2.00 0.00 0.00 57.00 55.63 2kzc n GLN 3 Cb 0.00 -4.82 0.00 0.00 -4.06 0.00 0.00 30.24 21.36 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 -2.31 -2.49 -0.23 3.69 3.01 -1.26 -4.56 117.46 113.31 2kzc n PHE 4 Ca -0.06 0.46 0.03 0.00 1.01 0.00 0.00 57.45 58.89 2kzc n PHE 4 Cb 0.45 0.68 0.13 0.00 -0.01 0.00 0.00 39.48 40.73 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 0.13 0.00 -1.08 1.57 -1.89 0.22 116.57 115.52 2kzc h LYS 5 Ca 0.00 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.77 2kzc h LYS 5 Cb 0.00 -0.03 0.00 0.00 0.08 0.00 0.00 32.23 32.28 2kzc h LYS 5 CO 0.00 0.09 0.00 0.00 -0.57 0.00 0.00 179.45 178.97 2kzc h ALA 6 N 1.62 1.00 0.07 3.86 0.00 -1.93 -3.30 119.26 120.58 2kzc h ALA 6 Ca 0.37 0.00 -0.10 0.00 0.00 0.00 0.00 54.91 55.18 2kzc h ALA 6 Cb 0.63 0.00 0.01 0.00 0.00 0.00 0.00 17.79 18.43 2kzc h ALA 6 CO -0.58 0.00 -0.46 1.05 0.00 0.00 0.00 179.25 179.26 2kzc h GLU 7 N 0.00 0.14 -0.07 0.00 4.11 -0.82 -1.98 114.58 115.96 2kzc h GLU 7 Ca 0.00 -0.24 -0.06 0.00 0.07 0.00 0.00 59.36 59.13 2kzc h GLU 7 Cb 0.74 0.09 -0.01 0.00 0.50 0.00 0.00 28.75 30.07 2kzc h GLU 7 CO 0.00 1.12 -0.25 0.00 0.07 0.00 0.00 179.01 179.95 2kzc h ALA 8 N 0.02 1.46 0.74 1.06 0.00 -1.61 -1.45 119.26 119.48 2kzc h ALA 8 Ca -0.09 -0.26 -0.04 0.00 0.00 0.00 0.00 54.91 54.52 2kzc h ALA 8 Cb 1.32 -0.07 0.01 0.00 0.00 0.00 0.00 17.79 19.05 2kzc h ALA 8 CO 0.06 0.39 -0.37 -0.09 0.00 0.00 0.00 179.25 179.25 2kzc h ARG 9 N 0.11 -0.97 -0.79 0.00 9.65 -1.63 -0.11 114.38 120.64 2kzc h ARG 9 Ca 0.02 0.07 0.17 0.00 -1.10 0.00 0.00 59.98 59.14 2kzc h ARG 9 Cb 0.51 0.22 -0.15 0.00 -1.39 0.00 0.00 29.97 29.16 2kzc h ARG 9 CO 0.04 -0.65 -0.11 -0.09 2.80 0.00 0.00 179.97 181.96 2kzc h ARG 10 N -1.01 0.03 -0.17 0.20 2.43 -0.93 -0.03 114.38 114.90 2kzc h ARG 10 Ca -0.10 -0.00 -0.01 0.00 -0.81 0.00 0.00 59.98 59.06 2kzc h ARG 10 Cb 0.77 -0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 30.31 2kzc h ARG 10 CO 0.16 0.02 0.07 -0.91 -1.51 0.00 0.00 179.97 177.80 2kzc h ASN 11 N 0.03 0.24 0.25 -3.80 4.21 -1.22 -2.10 115.58 113.19 2kzc h ASN 11 Ca 0.41 -0.17 0.01 0.00 1.21 0.00 0.00 56.30 57.76 2kzc h ASN 11 Cb 0.68 -0.06 -0.03 0.00 -1.12 0.00 0.00 38.32 37.79 2kzc h ASN 11 CO -0.77 0.34 -0.34 0.50 -1.29 0.00 0.00 177.43 175.87 2kzc h LYS 12 N 0.12 -0.63 -0.65 0.81 3.64 0.70 -1.46 116.57 119.10 2kzc h LYS 12 Ca 0.06 0.04 0.13 0.00 -1.27 0.00 0.00 60.65 59.61 2kzc h LYS 12 Cb 0.18 0.14 -0.12 0.00 -0.41 0.00 0.00 32.23 32.02 2kzc h LYS 12 CO -0.00 -0.42 -0.11 -0.07 -2.27 0.00 0.00 179.45 176.57 2kzc h LEU 13 N -0.65 -0.51 -0.84 5.20 4.07 -1.06 -0.46 115.31 121.06 2kzc h LEU 13 Ca -0.00 0.19 0.06 0.00 0.08 0.00 0.00 57.88 58.21 2kzc h LEU 13 Cb 0.63 0.37 -0.06 0.00 1.08 0.00 0.00 40.66 42.68 2kzc h LEU 13 CO -0.12 -0.19 0.51 -0.03 -1.08 0.00 0.00 178.44 177.53 2kzc h MET 14 N 0.03 0.90 -0.71 1.13 4.05 -0.92 -1.91 114.93 117.51 2kzc h MET 14 Ca 0.32 -0.05 -0.02 0.00 -0.28 0.00 0.00 59.70 59.67 2kzc h MET 14 Cb 0.51 -0.20 -0.03 0.00 -0.80 0.00 0.00 31.60 31.07 2kzc h MET 14 CO -0.64 0.60 0.38 0.78 0.23 0.00 0.00 176.91 178.26 2kzc h GLY 15 N 0.93 1.05 1.33 1.39 0.00 -0.04 -0.23 103.07 107.50 2kzc h GLY 15 Ca 0.37 -0.47 -0.06 0.00 0.00 0.00 0.00 47.33 47.17 2kzc h GLY 15 CO -0.18 0.45 0.08 1.41 0.00 0.00 0.00 176.54 178.31 2kzc h LEU 16 N 0.99 0.79 0.67 3.11 -0.00 -0.74 -0.66 115.31 119.47 2kzc h LEU 16 Ca 0.25 -0.16 -0.03 0.00 -0.00 0.00 0.00 57.88 57.94 2kzc h LEU 16 Cb 0.04 -0.21 0.01 0.00 -0.00 0.00 0.00 40.66 40.50 2kzc h LEU 16 CO -0.04 0.80 -0.32 -0.25 -0.00 0.00 0.00 178.44 178.63 2kzc h TRP 17 N 0.79 -0.84 -0.90 1.13 7.01 -0.81 -2.67 115.95 119.66 2kzc h TRP 17 Ca 0.17 -0.02 0.07 0.00 2.11 0.00 0.00 58.89 61.21 2kzc h TRP 17 Cb 0.36 0.28 -0.06 0.00 -2.10 0.00 0.00 29.16 27.63 2kzc h TRP 17 CO 0.02 -0.49 0.56 0.28 -2.79 0.00 0.00 178.44 176.03 2kzc h VAL 18 N -1.11 1.04 -0.65 2.65 2.07 -0.95 -0.64 116.25 118.66 2kzc h VAL 18 Ca -0.09 -0.35 0.04 0.00 0.82 0.00 0.00 66.70 67.12 2kzc h VAL 18 Cb 0.73 -0.07 -0.05 0.00 -1.52 0.00 0.00 31.29 30.39 2kzc h VAL 18 CO 0.15 0.19 0.38 0.00 0.02 0.00 0.00 177.57 178.31 2kzc h ALA 19 N 1.43 0.85 -0.42 1.67 0.00 -1.17 0.10 119.26 121.72 2kzc h ALA 19 Ca 0.40 -0.00 -0.05 0.00 0.00 0.00 0.00 54.91 55.25 2kzc h ALA 19 Cb 0.19 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.80 2kzc h ALA 19 CO -0.18 0.10 0.06 1.49 0.00 0.00 0.00 179.25 180.72 2kzc h GLU 20 N 0.74 0.64 -0.22 0.00 4.81 -0.80 0.01 114.58 119.76 2kzc h GLU 20 Ca 0.27 -0.13 -0.13 0.00 -0.13 0.00 0.00 59.36 59.24 2kzc h GLU 20 Cb 0.09 -0.10 -0.01 0.00 0.63 0.00 0.00 28.75 29.36 2kzc h GLU 20 CO -0.13 0.62 -0.42 0.28 -0.73 0.00 0.00 179.01 178.63 2kzc h VAL 21 N 0.62 1.30 0.00 0.32 2.07 -0.16 -2.73 116.25 117.67 2kzc h VAL 21 Ca 0.14 -1.60 -0.05 0.00 0.82 0.00 0.00 66.70 66.01 2kzc h VAL 21 Cb 0.31 1.59 -0.01 0.00 -1.52 0.00 0.00 31.29 31.66 2kzc h VAL 21 CO 0.00 0.50 -0.23 -0.07 0.02 0.00 0.00 177.57 177.79 2kzc h LEU 22 N 0.44 0.00 0.00 2.57 4.07 -0.47 -3.47 115.31 118.45 2kzc h LEU 22 Ca 0.03 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.99 2kzc h LEU 22 Cb 0.92 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.66 2kzc h LEU 22 CO 0.08 0.23 0.00 0.61 -1.08 0.00 0.00 178.44 178.28 2kzc n GLY 23 N 0.11 0.72 3.64 0.83 0.00 -0.58 -5.09 105.19 104.82 2kzc n GLY 23 Ca -0.00 -0.61 -0.29 0.00 0.00 0.00 0.00 46.02 45.12 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 -1.44 -0.32 0.33 1.61 1.02 -0.11 -5.01 119.74 115.81 2kzc s LYS 24 Ca 0.00 0.26 0.03 0.00 0.02 0.00 0.00 55.97 56.28 2kzc s LYS 24 Cb 0.00 -1.67 -0.02 0.00 -0.52 0.00 0.00 37.83 35.62 2kzc s LYS 24 CO 0.00 -3.18 0.36 -1.12 -0.92 0.00 0.00 175.35 170.49 2kzc s SER 25 N -3.63 1.33 0.00 2.83 0.01 -1.26 -4.46 113.70 108.51 2kzc s SER 25 Ca 0.68 -1.64 0.12 0.00 1.31 0.00 0.00 55.95 56.41 2kzc s SER 25 Cb -0.15 0.60 0.69 0.00 0.21 0.00 0.00 66.02 67.37 2kzc s SER 25 CO 0.57 -1.16 1.16 0.61 0.41 0.00 0.00 173.24 174.84 2kzc n GLY 26 N -0.59 -0.59 0.09 3.44 0.00 -1.26 -0.45 105.19 105.82 2kzc n GLY 26 Ca 0.05 -0.07 -0.11 0.00 0.00 0.00 0.00 46.02 45.89 2kzc n GLY 26 CO 0.00 0.00 0.00 -1.80 0.00 0.00 0.00 173.32 171.52 2kzc h ASP 27 N 0.00 0.11 0.00 1.61 1.82 -2.02 -3.35 116.42 114.59 2kzc h ASP 27 Ca 0.00 -0.17 -0.35 0.00 -0.39 0.00 0.00 57.03 56.12 2kzc h ASP 27 Cb 0.00 -0.03 -0.06 0.00 0.68 0.00 0.00 39.33 39.91 2kzc h ASP 27 CO 0.00 1.14 -2.33 -0.62 -1.61 0.00 0.00 179.24 175.83 2kzc n GLU 28 N -3.24 0.60 0.25 0.28 1.02 -0.18 -4.64 120.64 114.73 2kzc n GLU 28 Ca -0.13 0.13 0.11 0.00 -0.02 0.00 0.00 57.16 57.25 2kzc n GLU 28 Cb 1.02 -1.47 0.65 0.00 -0.02 0.00 0.00 31.44 31.62 2kzc n GLU 28 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2kzc h ALA 29 N 0.03 1.29 -0.24 0.62 0.00 -0.95 0.16 119.26 120.16 2kzc h ALA 29 Ca -0.52 -0.15 -0.05 0.00 0.00 0.00 0.00 54.91 54.19 2kzc h ALA 29 Cb 1.82 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 19.57 2kzc h ALA 29 CO -0.08 0.20 -0.05 -2.95 0.00 0.00 0.00 179.25 176.37 2kzc h ASN 30 N 0.00 0.47 -0.19 0.00 7.08 -1.81 -1.15 115.58 119.97 2kzc h ASN 30 Ca -0.00 -0.36 -0.15 0.00 -3.08 0.00 0.00 56.30 52.71 2kzc h ASN 30 Cb 0.41 -0.13 0.00 0.00 -2.08 0.00 0.00 38.32 36.53 2kzc h ASN 30 CO 0.02 0.72 -0.45 0.00 -2.08 0.00 0.00 177.43 175.64 2kzc h ALA 31 N 0.77 0.31 -0.82 4.14 0.00 -1.56 -2.87 119.26 119.23 2kzc h ALA 31 Ca 0.06 -0.47 0.05 0.00 0.00 0.00 0.00 54.91 54.55 2kzc h ALA 31 Cb 0.51 -0.05 -0.05 0.00 0.00 0.00 0.00 17.79 18.20 2kzc h ALA 31 CO 0.02 0.45 0.54 -0.92 0.00 0.00 0.00 179.25 179.34 2kzc h TYR 32 N 0.33 0.94 0.00 0.00 5.03 -1.02 0.25 116.97 122.50 2kzc h TYR 32 Ca -0.00 0.02 0.00 0.00 2.58 0.00 0.00 58.73 61.33 2kzc h TYR 32 Cb 1.06 -0.31 0.00 0.00 1.55 0.00 0.00 36.73 39.03 2kzc h TYR 32 CO 0.09 0.52 0.00 0.00 -1.32 0.00 0.00 178.16 177.45 2kzc n ALA 33 N -2.42 2.27 -0.08 1.82 0.00 -0.44 -1.44 120.51 120.22 2kzc n ALA 33 Ca 0.11 -0.07 -0.14 0.00 0.00 0.00 0.00 53.44 53.34 2kzc n ALA 33 Cb 0.16 -1.18 -0.14 0.00 0.00 0.00 0.00 19.45 18.29 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 -0.75 1.38 -0.05 0.00 0.00 0.05 -4.32 120.51 116.82 2kzc n ALA 34 Ca 0.08 -1.05 -0.10 0.00 0.00 0.00 0.00 53.44 52.38 2kzc n ALA 34 Cb 0.04 -0.34 -0.03 0.00 0.00 0.00 0.00 19.45 19.12 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 0.01 0.28 0.00 0.00 5.08 -0.94 -1.48 114.58 117.54 2kzc h GLU 35 Ca -0.50 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 57.85 2kzc h GLU 35 Cb 2.06 -0.06 0.00 0.00 0.50 0.00 0.00 28.75 31.25 2kzc h GLU 35 CO 0.01 0.18 0.00 0.28 -1.00 0.00 0.00 179.01 178.48 2kzc n VAL 36 N -4.95 1.11 -0.11 3.13 0.31 -0.95 -1.83 118.33 115.05 2kzc n VAL 36 Ca -0.03 0.40 -0.13 0.00 -0.01 0.00 0.00 64.34 64.57 2kzc n VAL 36 Cb 0.03 -1.32 -0.03 0.00 -0.91 0.00 0.00 33.84 31.61 2kzc n VAL 36 CO 0.00 0.00 0.00 0.58 -1.32 0.00 0.00 176.83 176.09 2kzc h VAL 37 N 0.00 1.28 -3.13 2.52 2.07 -1.47 -3.45 116.25 114.08 2kzc h VAL 37 Ca 0.00 -1.53 -0.40 0.00 0.82 0.00 0.00 66.70 65.59 2kzc h VAL 37 Cb 0.19 1.48 0.21 0.00 -1.52 0.00 0.00 31.29 31.66 2kzc h VAL 37 CO 0.00 0.50 -0.07 -0.75 0.02 0.00 0.00 177.57 177.28 2kzc s LYS 38 N -4.36 -2.25 0.00 1.57 2.20 -0.76 -4.05 119.74 112.09 2kzc s LYS 38 Ca -0.12 0.34 0.00 0.00 -0.36 0.00 0.00 55.97 55.84 2kzc s LYS 38 Cb 0.10 -1.44 0.00 0.00 -1.51 0.00 0.00 37.83 34.98 2kzc s LYS 38 CO 0.86 -4.48 0.00 0.00 -0.36 0.00 0.00 175.35 171.38 2kzc n ALA 39 N -5.38 0.00 0.26 3.13 0.00 -1.26 -4.65 120.51 112.61 2kzc n ALA 39 Ca 0.09 0.00 0.13 0.00 0.00 0.00 0.00 53.44 53.66 2kzc n ALA 39 Cb 0.58 0.00 0.69 0.00 0.00 0.00 0.00 19.45 20.72 2kzc n ALA 39 CO 0.00 0.00 0.00 0.38 0.00 0.00 0.00 177.50 177.88 2kzc h ASP 40 N 0.00 0.00 -0.67 0.00 2.03 -1.82 -0.29 116.42 115.67 2kzc h ASP 40 Ca 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.30 2kzc h ASP 40 Cb 0.00 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.50 2kzc h ASP 40 CO 0.00 0.13 0.00 2.22 -1.03 0.00 0.00 179.24 180.56 2kzc n PHE 41 N -3.54 0.89 0.00 4.15 1.16 -1.26 -4.64 117.46 114.22 2kzc n PHE 41 Ca -0.01 -0.44 0.00 0.00 -1.87 0.00 0.00 57.45 55.12 2kzc n PHE 41 Cb 0.27 0.00 0.00 0.00 -1.61 0.00 0.00 39.48 38.14 2kzc n PHE 41 CO 0.00 0.00 0.00 -0.85 -1.87 0.00 0.00 176.76 174.04 2kzc n GLU 42 N 1.63 0.00 -1.22 3.97 0.28 -1.05 -5.10 120.64 119.14 2kzc n GLU 42 Ca 0.24 0.00 -0.29 0.00 -0.16 0.00 0.00 57.16 56.95 2kzc n GLU 42 Cb 0.62 -0.13 0.18 0.00 1.43 0.00 0.00 31.44 33.54 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 -1.69 0.35 0.00 3.44 0.41 -0.15 -4.86 118.70 116.20 2kzc s GLU 43 Ca 0.00 0.41 0.00 0.00 -0.41 0.00 0.00 54.97 54.97 2kzc s GLU 43 Cb 0.00 -1.74 0.00 0.00 -1.78 0.00 0.00 34.13 30.61 2kzc s GLU 43 CO 0.00 -2.76 0.75 0.00 -0.49 0.00 0.00 175.26 172.76 2kzc n ALA 44 N -4.18 2.33 0.00 5.21 0.00 -1.26 -4.78 120.51 117.84 2kzc n ALA 44 Ca 0.06 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.50 2kzc n ALA 44 Cb 0.58 -1.12 0.00 0.00 0.00 0.00 0.00 19.45 18.91 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 0.99 0.58 0.00 0.00 0.00 -1.26 -4.79 105.19 100.71 2kzc n GLY 45 Ca 0.00 -2.15 0.03 0.00 0.00 0.00 0.00 46.02 43.91 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 3.49 0.00 -0.06 1.61 8.25 -1.26 -4.20 115.22 123.05 2kzc n HIS 46 Ca 0.00 0.00 0.01 0.00 -0.26 0.00 0.00 57.72 57.47 2kzc n HIS 46 Cb 0.00 0.00 0.31 0.00 1.12 0.00 0.00 29.99 31.42 2kzc n HIS 46 CO 0.00 0.00 0.00 1.05 0.64 0.00 0.00 176.34 178.03 2kzc h GLU 47 N 0.00 0.67 0.00 -0.41 4.11 -1.91 -1.78 114.58 115.26 2kzc h GLU 47 Ca 0.00 -0.08 -0.03 0.00 0.07 0.00 0.00 59.36 59.32 2kzc h GLU 47 Cb 0.00 -0.13 -0.00 0.00 0.50 0.00 0.00 28.75 29.12 2kzc h GLU 47 CO 0.00 0.54 -0.73 0.22 0.07 0.00 0.00 179.01 179.11 2kzc h ASP 48 N 0.67 0.00 -0.91 3.06 3.58 -1.89 -2.98 116.42 117.96 2kzc h ASP 48 Ca 0.17 0.00 0.09 0.00 0.42 0.00 0.00 57.03 57.70 2kzc h ASP 48 Cb 0.11 0.00 -0.07 0.00 1.72 0.00 0.00 39.33 41.08 2kzc h ASP 48 CO -0.02 0.11 0.55 0.58 -2.88 0.00 0.00 179.24 177.59 2kzc h VAL 49 N 0.00 0.98 -0.24 2.25 2.07 -1.60 0.19 116.25 119.90 2kzc h VAL 49 Ca -0.02 -0.33 -0.11 0.00 0.82 0.00 0.00 66.70 67.07 2kzc h VAL 49 Cb 1.10 -0.06 -0.00 0.00 -1.52 0.00 0.00 31.29 30.81 2kzc h VAL 49 CO 0.01 0.17 -0.26 0.24 0.02 0.00 0.00 177.57 177.75 2kzc h MET 50 N 0.95 0.60 -0.62 1.57 2.86 -1.34 -2.61 114.93 116.35 2kzc h MET 50 Ca 0.42 -0.33 0.03 0.00 -2.06 0.00 0.00 59.70 57.77 2kzc h MET 50 Cb 0.31 0.02 -0.03 0.00 0.06 0.00 0.00 31.60 31.95 2kzc h MET 50 CO -0.22 0.92 0.41 0.00 1.06 0.00 0.00 176.91 179.09 2kzc h ARG 51 N 0.31 0.71 -0.67 1.72 3.08 -1.32 0.36 114.38 118.57 2kzc h ARG 51 Ca 0.04 -0.04 0.05 0.00 0.07 0.00 0.00 59.98 60.10 2kzc h ARG 51 Cb 0.82 -0.16 -0.05 0.00 0.08 0.00 0.00 29.97 30.66 2kzc h ARG 51 CO 0.06 0.47 0.38 -0.22 -1.07 0.00 0.00 179.97 179.59 2kzc h LYS 52 N 0.73 0.69 0.01 0.04 3.11 -0.25 -0.29 116.57 120.62 2kzc h LYS 52 Ca 0.25 -0.04 -0.31 0.00 -2.81 0.00 0.00 60.65 57.74 2kzc h LYS 52 Cb 0.09 -0.15 -0.05 0.00 -1.00 0.00 0.00 32.23 31.11 2kzc h LYS 52 CO -0.07 0.45 -1.84 1.33 -2.81 0.00 0.00 179.45 176.52 2kzc n VAL 53 N -4.77 1.60 0.06 2.00 0.24 -1.05 -3.46 118.33 112.96 2kzc n VAL 53 Ca 0.08 -0.78 -0.11 0.00 -2.04 0.00 0.00 64.34 61.49 2kzc n VAL 53 Cb 0.16 -1.05 -0.01 0.00 -1.47 0.00 0.00 33.84 31.47 2kzc n VAL 53 CO 0.00 0.00 0.00 -0.07 -2.14 0.00 0.00 176.83 174.62 2kzc h LEU 54 N 0.01 0.48 -0.23 1.34 3.38 -0.79 -0.53 115.31 118.96 2kzc h LEU 54 Ca -0.34 -0.35 -0.11 0.00 0.09 0.00 0.00 57.88 57.17 2kzc h LEU 54 Cb 2.04 -0.14 -0.00 0.00 0.09 0.00 0.00 40.66 42.65 2kzc h LEU 54 CO 0.07 1.12 -0.29 1.23 0.09 0.00 0.00 178.44 180.66 2kzc h GLY 55 N 1.33 0.67 1.57 0.83 0.00 -1.24 -3.03 103.07 103.20 2kzc h GLY 55 Ca -0.05 -0.72 -0.13 0.00 0.00 0.00 0.00 47.33 46.43 2kzc h GLY 55 CO 0.14 0.65 -0.42 -0.55 0.00 0.00 0.00 176.54 176.36 2kzc h ASP 56 N 0.32 0.51 -0.07 0.19 5.19 -1.57 -1.81 116.42 119.17 2kzc h ASP 56 Ca 0.03 -0.23 -0.02 0.00 -0.62 0.00 0.00 57.03 56.20 2kzc h ASP 56 Cb 0.87 -0.14 -0.01 0.00 0.18 0.00 0.00 39.33 40.23 2kzc h ASP 56 CO 0.07 0.87 0.01 -0.07 -3.12 0.00 0.00 179.24 177.00 2kzc h LEU 57 N 0.39 0.16 0.00 1.55 3.38 -1.16 -3.46 115.31 116.17 2kzc h LEU 57 Ca 0.03 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.99 2kzc h LEU 57 Cb 0.90 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 41.61 2kzc h LEU 57 CO 0.08 0.19 0.00 -0.67 0.09 0.00 0.00 178.44 178.13 2kzc n ASP 58 N -4.44 -1.76 0.00 -0.43 2.03 -0.68 -1.14 116.55 110.13 2kzc n ASP 58 Ca -0.01 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.30 2kzc n ASP 58 Cb 0.14 -1.42 0.00 0.00 -0.72 0.00 0.00 41.12 39.12 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 -1.67 1.31 0.25 0.27 0.00 -1.26 -5.04 105.19 99.06 2kzc n GLY 59 Ca 0.00 0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.05 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 1.31 0.24 -4.01 1.61 1.57 -1.49 -3.45 116.57 112.35 2kzc h LYS 60 Ca 0.00 -0.04 -0.14 0.00 -1.87 0.00 0.00 60.65 58.60 2kzc h LYS 60 Cb 0.00 -0.04 -0.18 0.00 0.08 0.00 0.00 32.23 32.09 2kzc h LYS 60 CO 0.00 0.32 -0.63 1.03 -0.57 0.00 0.00 179.45 179.60 2kzc s ARG 61 N -4.87 0.51 0.54 3.15 1.81 -1.26 -5.13 118.95 113.69 2kzc s ARG 61 Ca -0.06 -0.88 -0.20 0.00 -1.72 0.00 0.00 55.73 52.87 2kzc s ARG 61 Cb 0.16 0.19 -0.05 0.00 -0.45 0.00 0.00 34.95 34.79 2kzc s ARG 61 CO 0.72 -0.10 1.20 -1.25 -0.68 0.00 0.00 175.30 175.19 2kzc s PRO 62 N -2.72 3.27 0.26 3.54 0.04 -1.26 -4.92 135.00 133.20 2kzc s PRO 62 Ca -0.04 1.83 -0.02 0.00 0.04 0.00 0.00 61.00 62.81 2kzc s PRO 62 Cb -0.01 -2.11 0.49 0.00 0.04 0.00 0.00 34.50 32.91 2kzc s PRO 62 CO -0.05 -0.97 1.77 1.49 0.04 0.00 0.00 177.00 179.28 2kzc h GLU 63 N 1.32 0.64 -0.95 4.56 4.81 -1.99 -2.18 114.58 120.78 2kzc h GLU 63 Ca -0.50 -0.04 0.01 0.00 -0.13 0.00 0.00 59.36 58.70 2kzc h GLU 63 Cb 1.28 -0.14 -0.05 0.00 0.63 0.00 0.00 28.75 30.47 2kzc h GLU 63 CO 0.57 0.42 0.63 0.00 -0.73 0.00 0.00 179.01 179.90 2kzc h ALA 64 N 1.53 1.33 -0.49 2.92 0.00 -1.99 0.11 119.26 122.66 2kzc h ALA 64 Ca 0.44 -0.06 -0.02 0.00 0.00 0.00 0.00 54.91 55.26 2kzc h ALA 64 Cb 0.57 -0.38 -0.02 0.00 0.00 0.00 0.00 17.79 17.96 2kzc h ALA 64 CO -0.33 0.61 0.22 1.49 0.00 0.00 0.00 179.25 181.24 2kzc h GLU 65 N 1.28 0.72 -0.18 0.00 4.81 -1.77 -1.64 114.58 117.80 2kzc h GLU 65 Ca 0.35 -0.12 -0.00 0.00 -0.13 0.00 0.00 59.36 59.46 2kzc h GLU 65 Cb -0.13 -0.12 -0.01 0.00 0.63 0.00 0.00 28.75 29.12 2kzc h GLU 65 CO -0.08 0.63 0.10 0.28 -0.73 0.00 0.00 179.01 179.21 2kzc h VAL 66 N 0.65 1.09 0.45 0.32 2.07 -1.19 -1.41 116.25 118.23 2kzc h VAL 66 Ca 0.17 -0.23 -0.01 0.00 0.82 0.00 0.00 66.70 67.44 2kzc h VAL 66 Cb 0.16 0.92 -0.02 0.00 -1.52 0.00 0.00 31.29 30.83 2kzc h VAL 66 CO -0.02 0.09 -0.44 0.03 0.02 0.00 0.00 177.57 177.25 2kzc h ARG 67 N 0.20 -0.85 -0.79 1.57 2.47 -0.62 -1.67 114.38 114.69 2kzc h ARG 67 Ca 0.06 0.06 0.13 0.00 -1.26 0.00 0.00 59.98 58.98 2kzc h ARG 67 Cb 0.05 0.19 -0.09 0.00 -1.65 0.00 0.00 29.97 28.47 2kzc h ARG 67 CO -0.01 -0.57 0.38 0.00 0.56 0.00 0.00 179.97 180.33 2kzc h ALA 68 N -1.03 1.15 -0.85 0.04 0.00 -1.30 -0.21 119.26 117.06 2kzc h ALA 68 Ca -0.06 0.09 0.02 0.00 0.00 0.00 0.00 54.91 54.96 2kzc h ALA 68 Cb 0.77 0.01 -0.05 0.00 0.00 0.00 0.00 17.79 18.52 2kzc h ALA 68 CO -0.05 -0.11 0.56 -0.22 0.00 0.00 0.00 179.25 179.42 2kzc h LYS 69 N 0.57 1.07 0.00 0.00 1.63 -0.73 -0.62 116.57 118.49 2kzc h LYS 69 Ca 0.43 -0.06 -0.05 0.00 -0.85 0.00 0.00 60.65 60.11 2kzc h LYS 69 Cb 0.59 -0.24 0.00 0.00 -0.60 0.00 0.00 32.23 31.98 2kzc h LYS 69 CO -0.35 0.71 -0.21 -0.92 -3.45 0.00 0.00 179.45 175.23 2kzc h TYR 70 N 1.11 0.21 -0.45 1.91 3.20 -0.47 -3.25 116.97 119.22 2kzc h TYR 70 Ca 0.33 -0.11 0.07 0.00 3.14 0.00 0.00 58.73 62.15 2kzc h TYR 70 Cb -0.06 -0.02 -0.06 0.00 1.54 0.00 0.00 36.73 38.13 2kzc h TYR 70 CO -0.02 0.92 0.11 0.93 -1.64 0.00 0.00 178.16 178.46 2kzc h GLU 71 N -0.56 0.24 0.00 1.82 4.39 -0.93 -2.17 114.58 117.37 2kzc h GLU 71 Ca -0.03 -0.01 0.00 0.00 0.34 0.00 0.00 59.36 59.66 2kzc h GLU 71 Cb 0.98 -0.05 0.00 0.00 -0.10 0.00 0.00 28.75 29.57 2kzc h GLU 71 CO 0.04 0.16 0.00 0.41 -1.16 0.00 0.00 179.01 178.46 2kzc n GLY 72 N -1.26 -1.20 0.14 -3.84 0.00 -0.25 -3.77 105.19 95.00 2kzc n GLY 72 Ca 0.04 -0.10 0.12 0.00 0.00 0.00 0.00 46.02 46.08 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 0.00 0.00 -1.09 0.99 5.85 -1.42 -3.36 115.31 116.28 2kzc h LEU 73 Ca 0.00 -0.03 0.00 0.00 0.84 0.00 0.00 57.88 58.69 2kzc h LEU 73 Cb 0.31 0.00 -0.04 0.00 0.37 0.00 0.00 40.66 41.30 2kzc h LEU 73 CO 0.00 0.02 0.57 -0.03 -0.34 0.00 0.00 178.44 178.65 2kzc h MET 74 N 0.00 1.19 -0.63 1.25 4.05 -1.72 0.28 114.93 119.34 2kzc h MET 74 Ca 0.00 -0.08 -0.06 0.00 -0.28 0.00 0.00 59.70 59.28 2kzc h MET 74 Cb 0.86 -0.26 -0.03 0.00 -0.80 0.00 0.00 31.60 31.38 2kzc h MET 74 CO 0.00 0.80 0.17 0.00 0.23 0.00 0.00 176.91 178.11 2kzc h ALA 75 N 1.41 0.83 -0.36 0.39 0.00 -1.89 -0.50 119.26 119.14 2kzc h ALA 75 Ca 0.32 -0.22 -0.09 0.00 0.00 0.00 0.00 54.91 54.92 2kzc h ALA 75 Cb -0.11 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.43 2kzc h ALA 75 CO -0.07 0.52 -0.13 0.28 0.00 0.00 0.00 179.25 179.86 2kzc h VAL 76 N 0.92 1.28 0.63 0.00 2.07 -1.27 -0.52 116.25 119.36 2kzc h VAL 76 Ca 0.20 -1.22 -0.02 0.00 0.82 0.00 0.00 66.70 66.47 2kzc h VAL 76 Cb 0.33 1.32 -0.01 0.00 -1.52 0.00 0.00 31.29 31.41 2kzc h VAL 76 CO -0.00 0.40 -0.47 0.00 0.02 0.00 0.00 177.57 177.52 2kzc h ALA 77 N 0.81 -1.20 -0.88 1.67 0.00 -0.46 -2.55 119.26 116.64 2kzc h ALA 77 Ca 0.09 -0.21 0.02 0.00 0.00 0.00 0.00 54.91 54.80 2kzc h ALA 77 Cb 0.65 0.64 -0.05 0.00 0.00 0.00 0.00 17.79 19.03 2kzc h ALA 77 CO 0.04 -1.19 0.58 0.87 0.00 0.00 0.00 179.25 179.55 2kzc h LYS 78 N -1.05 1.13 0.00 0.00 1.57 -1.00 -1.48 116.57 115.73 2kzc h LYS 78 Ca -0.08 -0.07 -0.01 0.00 -1.87 0.00 0.00 60.65 58.62 2kzc h LYS 78 Cb 0.87 -0.25 -0.00 0.00 0.08 0.00 0.00 32.23 32.92 2kzc h LYS 78 CO 0.03 0.75 -0.06 0.00 -0.57 0.00 0.00 179.45 179.60 2kzc h ALA 79 N 1.34 1.33 -0.34 3.86 0.00 -1.00 0.01 119.26 124.46 2kzc h ALA 79 Ca 0.34 -0.05 -0.17 0.00 0.00 0.00 0.00 54.91 55.02 2kzc h ALA 79 Cb -0.08 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 17.70 2kzc h ALA 79 CO -0.09 0.07 -0.46 1.96 0.00 0.00 0.00 179.25 180.73 2kzc h GLN 80 N 0.00 0.91 -0.12 0.00 4.20 -0.84 -3.35 115.11 115.91 2kzc h GLN 80 Ca -0.00 -0.53 -0.21 0.00 0.06 0.00 0.00 58.65 57.97 2kzc h GLN 80 Cb 0.17 0.04 0.00 0.00 0.30 0.00 0.00 27.48 28.00 2kzc h GLN 80 CO 0.01 1.17 -0.77 1.37 -0.67 0.00 0.00 178.83 179.94 2kzc h LEU 81 N 0.72 0.77 0.00 1.46 8.10 -0.90 0.20 115.31 125.66 2kzc h LEU 81 Ca 0.04 -0.51 0.00 0.00 0.11 0.00 0.00 57.88 57.52 2kzc h LEU 81 Cb 1.07 -0.23 0.00 0.00 -0.44 0.00 0.00 40.66 41.06 2kzc h LEU 81 CO 0.11 1.29 0.00 0.23 -4.11 0.00 0.00 178.44 175.95 2kzc n MET 82 N -3.89 0.36 0.00 0.17 2.81 -0.57 -3.00 117.12 112.99 2kzc n MET 82 Ca -0.06 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 55.83 2kzc n MET 82 Cb 0.74 -1.34 0.00 0.00 -0.71 0.00 0.00 33.22 31.91 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 -0.84 0.00 0.12 7.83 2.03 -1.09 -4.96 116.55 119.65 2kzc n ASP 83 Ca 0.06 0.00 0.18 0.00 0.52 0.00 0.00 54.79 55.55 2kzc n ASP 83 Cb 0.03 0.00 0.76 0.00 -0.72 0.00 0.00 41.12 41.18 2kzc n ASP 83 CO 0.00 0.00 0.00 1.05 -1.92 0.00 0.00 177.20 176.33 2kzc h GLU 84 N 0.00 0.00 -0.02 -0.67 4.11 -0.51 -3.51 114.58 113.98 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 0.00 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.25 2kzc h GLU 84 CO 0.00 0.00 0.00 -0.11 0.07 0.00 0.00 179.01 178.97