#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1kkx h ASN 4 N 0.00 0.00 0.80 6.41 -1.07 -2.07 -2.89 115.58 116.77 1kkx h ASN 4 Ca 0.00 0.00 -0.02 0.00 0.07 0.00 0.00 56.30 56.35 1kkx h ASN 4 Cb 0.00 0.00 -0.00 0.00 -2.07 0.00 0.00 38.32 36.25 1kkx h ASN 4 CO 0.00 0.45 -0.10 0.11 0.07 0.00 0.00 177.43 177.96 1kkx h LYS 5 N 0.00 0.00 0.53 4.14 1.79 -2.06 -3.28 116.57 117.69 1kkx h LYS 5 Ca -0.00 0.00 -0.02 0.00 -2.18 0.00 0.00 60.65 58.44 1kkx h LYS 5 Cb 0.94 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 31.58 1kkx h LYS 5 CO 0.06 0.10 -0.39 1.96 -1.08 0.00 0.00 179.45 180.10 1kkx h GLN 6 N 0.00 -0.85 -0.18 3.15 4.20 -1.96 -2.61 115.11 116.86 1kkx h GLN 6 Ca -0.00 0.06 0.05 0.00 0.06 0.00 0.00 58.65 58.82 1kkx h GLN 6 Cb 0.53 0.19 -0.06 0.00 0.30 0.00 0.00 27.48 28.44 1kkx h GLN 6 CO 0.01 -0.57 -0.22 0.10 -0.67 0.00 0.00 178.83 177.49 1kkx h TYR 7 N -0.88 -0.57 -1.53 2.96 -0.00 -1.74 0.31 116.97 115.51 1kkx h TYR 7 Ca -0.07 0.03 0.44 0.00 0.00 0.00 0.00 58.73 59.14 1kkx h TYR 7 Cb 0.73 0.28 -0.06 0.00 0.00 0.00 0.00 36.73 37.68 1kkx h TYR 7 CO -0.12 -0.30 1.10 0.93 -0.00 0.00 0.00 178.16 179.78 1kkx h GLU 8 N -0.25 0.00 0.20 0.10 5.08 -1.61 0.40 114.58 118.49 1kkx h GLU 8 Ca 0.12 -0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.47 1kkx h GLU 8 Cb 0.43 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.68 1kkx h GLU 8 CO -0.32 0.00 -0.10 -0.07 -1.00 0.00 0.00 179.01 177.52 1kkx h LEU 9 N 0.00 -0.23 -0.79 1.33 3.38 -0.53 -2.69 115.31 115.78 1kkx h LEU 9 Ca 0.73 0.01 0.07 0.00 0.09 0.00 0.00 57.88 58.77 1kkx h LEU 9 Cb 2.93 0.06 -0.06 0.00 0.09 0.00 0.00 40.66 43.68 1kkx h LEU 9 CO -0.01 -0.07 0.47 2.19 0.09 0.00 0.00 178.44 181.11 1kkx h PHE 10 N -0.45 0.87 -0.05 1.13 -5.15 -1.15 -2.70 116.94 109.44 1kkx h PHE 10 Ca -0.03 0.03 0.02 0.00 -0.20 0.00 0.00 57.97 57.79 1kkx h PHE 10 Cb 0.20 -0.27 -0.06 0.00 0.22 0.00 0.00 35.95 36.04 1kkx h PHE 10 CO 0.07 0.42 -0.53 0.52 -2.00 0.00 0.00 178.31 176.79 1kkx h MET 11 N 0.85 -0.60 -0.45 6.09 2.86 -0.36 0.97 114.93 124.29 1kkx h MET 11 Ca 0.36 0.04 0.13 0.00 -2.06 0.00 0.00 59.70 58.17 1kkx h MET 11 Cb 0.21 0.14 -0.02 0.00 0.06 0.00 0.00 31.60 31.99 1kkx h MET 11 CO -0.19 -0.40 0.39 0.87 1.06 0.00 0.00 176.91 178.64 1kkx h LYS 12 N -0.63 0.00 0.00 1.72 1.79 -1.23 -0.30 116.57 117.92 1kkx h LYS 12 Ca 0.02 0.00 -0.01 0.00 -2.18 0.00 0.00 60.65 58.48 1kkx h LYS 12 Cb 0.69 0.00 -0.00 0.00 -1.58 0.00 0.00 32.23 31.34 1kkx h LYS 12 CO -0.38 0.00 -0.04 0.77 -1.08 0.00 0.00 179.45 178.72 1kkx h SER 13 N 0.00 0.00 -0.13 0.86 0.02 -0.41 -3.02 113.55 110.86 1kkx h SER 13 Ca 0.22 -0.76 0.03 0.00 -0.84 0.00 0.00 61.79 60.44 1kkx h SER 13 Cb 1.00 0.00 -0.03 0.00 0.14 0.00 0.00 62.40 63.50 1kkx h SER 13 CO -0.00 0.90 -0.07 0.25 -1.14 0.00 0.00 176.83 176.77 1kkx h LEU 14 N -1.00 -0.24 -0.33 5.07 7.12 0.15 -0.87 115.31 125.21 1kkx h LEU 14 Ca -0.01 0.06 0.02 0.00 0.13 0.00 0.00 57.88 58.08 1kkx h LEU 14 Cb 0.79 0.13 -0.03 0.00 -0.53 0.00 0.00 40.66 41.02 1kkx h LEU 14 CO -0.01 -0.10 0.18 0.40 -0.13 0.00 0.00 178.44 178.78 1kkx h ILE 15 N -0.07 1.00 -0.20 4.05 2.04 -1.24 -0.53 117.51 122.56 1kkx h ILE 15 Ca 0.08 -0.12 0.04 0.00 1.00 0.00 0.00 64.86 65.86 1kkx h ILE 15 Cb 0.18 0.61 -0.01 0.00 -0.74 0.00 0.00 36.82 36.86 1kkx h ILE 15 CO -0.17 0.07 0.14 -0.08 0.00 0.00 0.00 178.15 178.10 1kkx h GLU 16 N 0.36 0.07 0.28 2.37 4.81 -1.36 -1.91 114.58 119.21 1kkx h GLU 16 Ca 0.14 -0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 59.35 1kkx h GLU 16 Cb 0.03 -0.02 0.00 0.00 0.63 0.00 0.00 28.75 29.40 1kkx h GLU 16 CO -0.08 0.05 -0.14 -0.97 -0.73 0.00 0.00 179.01 177.14 1kkx h ASN 17 N 0.08 -0.33 -0.54 1.04 -1.24 0.36 1.64 115.58 116.57 1kkx h ASN 17 Ca 0.09 0.01 0.00 0.00 0.71 0.00 0.00 56.30 57.12 1kkx h ASN 17 Cb 0.28 0.09 -0.03 0.00 0.73 0.00 0.00 38.32 39.39 1kkx h ASN 17 CO -0.01 -0.23 0.35 0.00 -1.29 0.00 0.00 177.43 176.24 1kkx n LYS 19 N -4.69 0.13 -0.60 0.00 4.81 -0.78 0.25 118.16 117.29 1kkx n LYS 19 Ca 0.03 0.30 0.02 0.00 -0.87 0.00 0.00 58.31 57.79 1kkx n LYS 19 Cb 0.03 -1.73 0.20 0.00 0.02 0.00 0.00 35.03 33.56 1kkx n LYS 19 CO 0.00 0.00 0.00 0.36 1.17 0.00 0.00 177.40 178.93 1kkx n LYS 20 N -1.97 1.88 0.00 1.64 2.85 0.56 -4.55 118.16 118.56 1kkx n LYS 20 Ca 0.04 -3.08 0.00 0.00 -1.05 0.00 0.00 58.31 54.22 1kkx n LYS 20 Cb 0.26 -1.73 0.00 0.00 -0.65 0.00 0.00 35.03 32.90 1kkx n LYS 20 CO 0.00 0.00 0.00 -2.13 -0.05 0.00 0.00 177.40 175.22 1kkx n ARG 21 N -1.07 0.00 0.00 -1.58 0.63 0.24 -4.90 116.66 109.98 1kkx n ARG 21 Ca 0.26 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 57.19 1kkx n ARG 21 Cb 0.88 -0.24 0.00 0.00 0.45 0.00 0.00 32.46 33.55 1kkx n ARG 21 CO 0.00 0.00 0.00 0.27 -2.51 0.00 0.00 177.63 175.39 1kkx n ASN 22 N -2.55 0.00 -3.92 6.15 0.23 -0.81 -5.00 115.26 109.36 1kkx n ASN 22 Ca 0.00 0.00 -0.29 0.00 -0.53 0.00 0.00 54.58 53.76 1kkx n ASN 22 Cb 0.17 0.00 -0.03 0.00 -2.08 0.00 0.00 39.78 37.84 1kkx n ASN 22 CO 0.00 0.00 0.00 0.80 -0.93 0.00 0.00 177.26 177.13 1kkx n MET 23 N 0.00 -0.70 -0.40 -3.83 0.00 0.70 -4.78 117.12 108.12 1kkx n MET 23 Ca 0.00 -0.01 -0.07 0.00 -0.00 0.00 0.00 57.70 57.62 1kkx n MET 23 Cb 0.00 -2.12 0.05 0.00 0.00 0.00 0.00 33.22 31.15 1kkx n MET 23 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 175.97 175.62 1kkx n PRO 24 N -3.83 1.36 0.00 2.12 -0.04 -1.26 -4.35 135.00 129.00 1kkx n PRO 24 Ca -0.17 -0.85 0.00 0.00 -0.04 0.00 0.00 63.50 62.44 1kkx n PRO 24 Cb 0.47 -1.33 0.00 0.00 -0.04 0.00 0.00 33.50 32.59 1kkx n PRO 24 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 1kkx n LEU 25 N 0.15 0.00 -0.05 1.53 4.32 -1.26 -5.00 117.00 116.68 1kkx n LEU 25 Ca 0.17 0.00 -0.01 0.00 -0.02 0.00 0.00 56.01 56.15 1kkx n LEU 25 Cb 0.79 0.00 -0.00 0.00 -1.62 0.00 0.00 43.42 42.59 1kkx n LEU 25 CO 0.18 -0.20 -0.01 0.00 -1.22 0.00 0.00 177.39 176.14 1kkx n GLN 26 N -1.59 -0.98 0.00 3.23 6.02 -1.26 -4.84 117.38 117.96 1kkx n GLN 26 Ca 0.00 0.29 0.00 0.00 -0.01 0.00 0.00 57.00 57.28 1kkx n GLN 26 Cb 0.00 -4.05 0.00 0.00 1.02 0.00 0.00 30.24 27.21 1kkx n GLN 26 CO 0.00 0.00 0.00 0.43 -1.01 0.00 0.00 177.06 176.48 1kkx n SER 27 N -0.44 0.00 -4.77 1.08 7.64 -1.26 -5.15 113.62 110.72 1kkx n SER 27 Ca -0.01 0.00 -0.39 0.00 1.01 0.00 0.00 58.87 59.48 1kkx n SER 27 Cb 0.25 0.00 -0.03 0.00 -1.01 0.00 0.00 64.21 63.42 1kkx n SER 27 CO 0.00 0.00 0.00 -0.63 -3.01 0.00 0.00 175.04 171.40 1kkx s ILE 28 N 0.00 3.24 -0.40 0.44 -1.09 -1.26 -4.88 121.20 117.25 1kkx s ILE 28 Ca 0.00 1.16 -0.04 0.00 -2.23 0.00 0.00 60.65 59.54 1kkx s ILE 28 Cb 0.00 -3.70 -0.08 0.00 -1.58 0.00 0.00 42.46 37.10 1kkx s ILE 28 CO 0.00 0.21 1.89 -2.65 -1.23 0.00 0.00 174.94 173.15 1kkx n PRO 29 N 0.66 1.31 -1.63 2.79 -0.02 -1.26 -4.89 135.00 131.95 1kkx n PRO 29 Ca 0.01 -0.89 -0.64 0.00 -2.02 0.00 0.00 63.50 59.97 1kkx n PRO 29 Cb 0.45 -2.07 -0.09 0.00 -0.02 0.00 0.00 33.50 31.77 1kkx n PRO 29 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 1kkx n GLU 30 N 3.65 0.00 -4.36 -0.52 1.02 -1.26 -4.94 120.64 114.22 1kkx n GLU 30 Ca 0.28 0.00 -0.19 0.00 -0.02 0.00 0.00 57.16 57.23 1kkx n GLU 30 Cb 0.24 -1.41 -0.10 0.00 -0.02 0.00 0.00 31.44 30.15 1kkx n GLU 30 CO 0.00 0.00 0.00 0.96 1.18 0.00 0.00 177.13 179.27 1kkx s ILE 31 N 2.85 1.39 -0.31 -3.67 -0.00 -1.25 -4.75 121.20 115.46 1kkx s ILE 31 Ca 0.99 -2.10 0.00 0.00 -0.00 0.00 0.00 60.65 59.54 1kkx s ILE 31 Cb -1.41 -2.30 0.00 0.00 -0.00 0.00 0.00 42.46 38.76 1kkx s ILE 31 CO 0.77 -0.40 0.00 0.61 -0.00 0.00 0.00 174.94 175.92 1kkx n GLY 32 N -0.46 0.52 3.30 6.27 0.00 -1.18 -3.17 105.19 110.47 1kkx n GLY 32 Ca -0.06 -0.17 -0.17 0.00 0.00 0.00 0.00 46.02 45.62 1kkx n GLY 32 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1kkx n ASN 33 N -0.23 -3.03 -3.37 1.61 2.85 -1.26 -4.97 115.26 106.85 1kkx n ASN 33 Ca -0.03 -0.56 0.02 0.00 -0.11 0.00 0.00 54.58 53.91 1kkx n ASN 33 Cb 0.27 -4.76 0.01 0.00 1.24 0.00 0.00 39.78 36.53 1kkx n ASN 33 CO 0.00 0.00 0.00 -2.11 -2.11 0.00 0.00 177.26 173.04 1kkx n ARG 34 N -4.09 0.15 -1.73 1.20 1.85 -1.19 -5.14 116.66 107.71 1kkx n ARG 34 Ca -0.20 -0.64 -0.42 0.00 -1.00 0.00 0.00 57.85 55.59 1kkx n ARG 34 Cb 0.63 1.06 -0.01 0.00 -1.05 0.00 0.00 32.46 33.09 1kkx n ARG 34 CO 0.00 0.00 0.00 1.17 -0.01 0.00 0.00 177.63 178.79 1kkx n LYS 35 N -0.77 2.42 -0.78 2.89 3.00 -1.26 -3.90 118.16 119.76 1kkx n LYS 35 Ca 0.04 0.85 -0.32 0.00 -0.00 0.00 0.00 58.31 58.88 1kkx n LYS 35 Cb 0.48 -2.55 0.14 0.00 0.00 0.00 0.00 35.03 33.11 1kkx n LYS 35 CO 0.00 0.00 0.00 0.44 0.00 0.00 0.00 177.40 177.84 1kkx n ILE 36 N 1.23 0.23 -1.95 3.15 -6.64 -1.26 -4.85 119.36 109.27 1kkx n ILE 36 Ca 0.06 -0.11 -0.12 0.00 -1.77 0.00 0.00 62.75 60.82 1kkx n ILE 36 Cb 0.36 -0.86 0.08 0.00 -1.44 0.00 0.00 39.64 37.78 1kkx n ILE 36 CO 0.00 0.00 0.00 0.59 -1.77 0.00 0.00 176.55 175.37 1kkx n ASN 37 N -2.90 3.57 -0.27 7.28 4.13 -1.26 -4.89 115.26 120.93 1kkx n ASN 37 Ca 0.10 -3.64 0.24 0.00 1.68 0.00 0.00 54.58 52.96 1kkx n ASN 37 Cb 0.52 -0.41 0.41 0.00 -1.54 0.00 0.00 39.78 38.77 1kkx n ASN 37 CO 0.00 0.00 0.00 0.18 0.28 0.00 0.00 177.26 177.72 1kkx n LEU 38 N -0.80 0.16 -0.01 3.41 7.99 -1.26 0.35 117.00 126.85 1kkx n LEU 38 Ca 0.33 0.92 -0.22 0.00 -0.01 0.00 0.00 56.01 57.03 1kkx n LEU 38 Cb 0.88 -0.45 -0.14 0.00 -0.11 0.00 0.00 43.42 43.60 1kkx n LEU 38 CO 0.23 -1.01 -0.62 -0.26 -1.51 0.00 0.00 177.39 174.21 1kkx h PHE 39 N 0.00 0.41 0.00 -1.77 -1.00 -1.98 -3.24 116.94 109.36 1kkx h PHE 39 Ca 0.55 -0.30 0.00 0.00 2.81 0.00 0.00 57.97 61.03 1kkx h PHE 39 Cb 1.70 -0.02 0.00 0.00 3.61 0.00 0.00 35.95 41.24 1kkx h PHE 39 CO -0.00 1.66 0.00 0.98 -1.61 0.00 0.00 178.31 179.33 1kkx n TYR 40 N -3.79 0.00 -0.35 -0.55 4.19 0.16 -1.63 117.16 115.18 1kkx n TYR 40 Ca -0.29 0.00 0.28 0.00 3.31 0.00 0.00 57.90 61.20 1kkx n TYR 40 Cb 0.94 0.00 0.58 0.00 0.49 0.00 0.00 39.34 41.36 1kkx n TYR 40 CO 0.00 0.00 0.00 1.37 0.91 0.00 0.00 176.86 179.14 1kkx h LEU 41 N 0.00 0.32 -0.25 2.98 -0.00 -1.79 -1.54 115.31 115.03 1kkx h LEU 41 Ca 0.00 0.08 0.04 0.00 -0.00 0.00 0.00 57.88 57.99 1kkx h LEU 41 Cb 0.00 0.03 -0.07 0.00 -0.00 0.00 0.00 40.66 40.62 1kkx h LEU 41 CO 0.00 0.02 -0.55 0.22 -0.00 0.00 0.00 178.44 178.13 1kkx h TYR 42 N 0.26 -1.65 -0.26 0.17 3.20 -1.36 1.19 116.97 118.52 1kkx h TYR 42 Ca 0.63 0.07 0.07 0.00 3.14 0.00 0.00 58.73 62.65 1kkx h TYR 42 Cb 1.87 0.75 -0.01 0.00 1.54 0.00 0.00 36.73 40.88 1kkx h TYR 42 CO -0.00 -0.52 0.22 0.00 -1.64 0.00 0.00 178.16 176.22 1kkx h MET 43 N -0.50 0.00 0.00 1.82 -0.00 -0.31 2.12 114.93 118.06 1kkx h MET 43 Ca 0.05 0.00 0.00 0.00 -0.00 0.00 0.00 59.70 59.75 1kkx h MET 43 Cb 0.64 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 32.24 1kkx h MET 43 CO -0.50 0.00 0.00 1.25 -0.00 0.00 0.00 176.91 177.66 1kkx h LEU 44 N 0.00 0.00 -0.57 -0.10 5.85 0.13 -1.32 115.31 119.29 1kkx h LEU 44 Ca 0.12 0.00 -0.14 0.00 0.84 0.00 0.00 57.88 58.70 1kkx h LEU 44 Cb 0.56 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 41.58 1kkx h LEU 44 CO -0.00 0.00 -0.65 -0.37 -0.34 0.00 0.00 178.44 177.08 1kkx h VAL 45 N 0.00 1.37 -1.72 1.05 -1.51 0.89 -3.17 116.25 113.15 1kkx h VAL 45 Ca 0.00 -2.31 0.53 0.00 -1.23 0.00 0.00 66.70 63.69 1kkx h VAL 45 Cb 0.50 2.28 -0.10 0.00 -2.13 0.00 0.00 31.29 31.84 1kkx h VAL 45 CO 0.00 0.64 1.20 0.00 -1.23 0.00 0.00 177.57 178.18 1kkx n GLN 46 N -3.62 -0.01 -0.33 5.19 6.02 -0.50 0.23 117.38 124.36 1kkx n GLN 46 Ca -0.01 1.13 0.25 0.00 -0.01 0.00 0.00 57.00 58.37 1kkx n GLN 46 Cb 0.68 -2.45 0.49 0.00 1.02 0.00 0.00 30.24 29.98 1kkx n GLN 46 CO 0.00 0.00 0.00 -0.22 -1.01 0.00 0.00 177.06 175.83 1kkx h LYS 47 N 0.00 0.20 0.00 -1.09 1.63 -1.73 -2.79 116.57 112.79 1kkx h LYS 47 Ca 0.90 -0.01 -0.14 0.00 -0.85 0.00 0.00 60.65 60.55 1kkx h LYS 47 Cb 3.37 -0.04 -0.02 0.00 -0.60 0.00 0.00 32.23 34.93 1kkx h LYS 47 CO -0.19 0.13 -1.49 0.34 -3.45 0.00 0.00 179.45 174.79 1kkx n PHE 48 N -5.15 0.00 -1.52 1.91 -0.00 0.51 -4.98 117.46 108.24 1kkx n PHE 48 Ca 0.33 0.00 -0.11 0.00 -0.00 0.00 0.00 57.45 57.67 1kkx n PHE 48 Cb 1.05 -0.33 -0.04 0.00 -0.00 0.00 0.00 39.48 40.16 1kkx n PHE 48 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17 1kkx n GLY 49 N 2.80 0.79 2.16 7.13 0.00 0.61 -4.75 105.19 113.93 1kkx n GLY 49 Ca -0.16 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.62 1kkx n GLY 49 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1kkx n GLY 50 N -0.31 6.12 0.00 -0.02 0.00 -1.26 -4.96 105.19 104.76 1kkx n GLY 50 Ca -0.12 -2.63 0.00 0.00 0.00 0.00 0.00 46.02 43.28 1kkx n GLY 50 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1kkx n ALA 51 N -0.65 0.00 -0.31 4.61 0.00 -1.26 0.16 120.51 123.07 1kkx n ALA 51 Ca 0.41 0.00 0.11 0.00 0.00 0.00 0.00 53.44 53.97 1kkx n ALA 51 Cb 0.89 0.00 0.29 0.00 0.00 0.00 0.00 19.45 20.63 1kkx n ALA 51 CO 0.00 0.00 0.00 0.22 0.00 0.00 0.00 177.50 177.72 1kkx h ASP 52 N 0.00 0.45 0.29 0.00 1.82 -1.95 -1.23 116.42 115.80 1kkx h ASP 52 Ca 0.00 0.13 -0.33 0.00 -0.39 0.00 0.00 57.03 56.44 1kkx h ASP 52 Cb 0.00 0.07 -0.05 0.00 0.68 0.00 0.00 39.33 40.03 1kkx h ASP 52 CO 0.00 0.10 -1.95 1.67 -1.61 0.00 0.00 179.24 177.45 1kkx n GLN 53 N -4.96 0.67 0.13 0.28 7.27 0.43 -4.07 117.38 117.14 1kkx n GLN 53 Ca 0.21 0.22 0.11 0.00 0.07 0.00 0.00 57.00 57.61 1kkx n GLN 53 Cb 0.58 -1.71 0.50 0.00 2.41 0.00 0.00 30.24 32.02 1kkx n GLN 53 CO 0.00 0.00 0.00 1.55 0.07 0.00 0.00 177.06 178.68 1kkx n VAL 54 N -3.10 0.98 -0.08 1.69 3.14 -0.94 -2.25 118.33 117.77 1kkx n VAL 54 Ca -0.25 0.45 -0.06 0.00 -2.96 0.00 0.00 64.34 61.52 1kkx n VAL 54 Cb 1.07 -1.41 0.13 0.00 -1.06 0.00 0.00 33.84 32.57 1kkx n VAL 54 CO 0.00 0.00 0.00 0.74 -6.46 0.00 0.00 176.83 171.11 1kkx h THR 55 N 0.00 1.26 -1.32 1.55 2.02 -1.38 -3.24 112.91 111.79 1kkx h THR 55 Ca 0.00 -1.19 -0.60 0.00 0.77 0.00 0.00 66.41 65.39 1kkx h THR 55 Cb 0.19 1.09 -0.41 0.00 -1.74 0.00 0.00 68.15 67.28 1kkx h THR 55 CO 0.00 0.40 -0.56 -2.11 0.37 0.00 0.00 175.52 173.62 1kkx n ARG 56 N -4.16 3.41 -3.63 6.66 0.00 -0.95 -4.25 116.66 113.74 1kkx n ARG 56 Ca 0.01 -4.30 -0.17 0.00 -0.00 0.00 0.00 57.85 53.39 1kkx n ARG 56 Cb 0.38 -2.26 -0.05 0.00 -0.00 0.00 0.00 32.46 30.52 1kkx n ARG 56 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.63 175.26 1kkx n THR 57 N -0.56 0.00 0.08 8.89 5.66 -1.22 -5.05 114.28 122.07 1kkx n THR 57 Ca 0.42 -1.64 -0.12 0.00 -3.05 0.00 0.00 64.05 59.66 1kkx n THR 57 Cb 0.71 0.63 -0.05 0.00 -1.55 0.00 0.00 70.33 70.07 1kkx n THR 57 CO 0.00 0.00 0.00 0.06 -3.05 0.00 0.00 175.07 172.08 1kkx h GLN 58 N 0.00 0.33 -0.64 1.09 3.07 -1.93 -3.28 115.11 113.74 1kkx h GLN 58 Ca -0.21 -0.38 0.13 0.00 0.09 0.00 0.00 58.65 58.28 1kkx h GLN 58 Cb 0.83 0.12 -0.12 0.00 0.08 0.00 0.00 27.48 28.38 1kkx h GLN 58 CO 0.33 1.08 -0.20 1.96 0.09 0.00 0.00 178.83 182.08 1kkx h GLN 59 N 0.17 -0.04 -0.60 0.06 1.08 -1.97 0.67 115.11 114.48 1kkx h GLN 59 Ca -0.08 0.00 0.17 0.00 -1.45 0.00 0.00 58.65 57.30 1kkx h GLN 59 Cb 1.62 0.01 -0.02 0.00 -0.05 0.00 0.00 27.48 29.04 1kkx h GLN 59 CO 0.16 -0.03 0.56 -1.49 -0.95 0.00 0.00 178.83 177.08 1kkx h TRP 60 N -0.04 0.00 -0.26 2.96 -0.00 -1.64 0.62 115.95 117.58 1kkx h TRP 60 Ca 0.30 0.00 0.08 0.00 -0.00 0.00 0.00 58.89 59.27 1kkx h TRP 60 Cb 0.50 0.00 -0.01 0.00 -0.00 0.00 0.00 29.16 29.65 1kkx h TRP 60 CO -0.56 0.00 0.22 1.03 -0.00 0.00 0.00 178.44 179.13 1kkx h SER 61 N 0.00 0.00 0.01 -3.49 0.87 0.20 1.66 113.55 112.80 1kkx h SER 61 Ca 0.29 0.00 -0.06 0.00 -1.23 0.00 0.00 61.79 60.79 1kkx h SER 61 Cb 1.40 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 63.35 1kkx h SER 61 CO -0.00 0.00 -0.30 0.24 -0.53 0.00 0.00 176.83 176.24 1kkx h MET 62 N 0.00 0.01 0.00 2.24 2.86 0.17 -2.72 114.93 117.49 1kkx h MET 62 Ca 0.13 -0.02 0.00 0.00 -2.06 0.00 0.00 59.70 57.74 1kkx h MET 62 Cb 0.57 0.01 0.00 0.00 0.06 0.00 0.00 31.60 32.23 1kkx h MET 62 CO -0.00 1.01 0.00 0.28 1.06 0.00 0.00 176.91 179.26 1kkx n VAL 63 N -4.55 0.00 -0.31 -2.22 0.31 -0.49 -0.17 118.33 110.90 1kkx n VAL 63 Ca -0.15 1.12 0.26 0.00 -0.01 0.00 0.00 64.34 65.56 1kkx n VAL 63 Cb 0.54 -2.08 0.48 0.00 -0.91 0.00 0.00 33.84 31.87 1kkx n VAL 63 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1kkx n ALA 64 N -1.00 0.84 0.08 3.52 0.00 0.56 0.10 120.51 124.60 1kkx n ALA 64 Ca 0.00 0.97 -0.10 0.00 0.00 0.00 0.00 53.44 54.31 1kkx n ALA 64 Cb 0.00 -0.90 -0.01 0.00 0.00 0.00 0.00 19.45 18.54 1kkx n ALA 64 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 177.50 176.94 1kkx h GLN 65 N 0.00 0.29 -0.33 0.00 3.07 -1.46 -1.73 115.11 114.95 1kkx h GLN 65 Ca 0.74 -0.30 0.06 0.00 0.09 0.00 0.00 58.65 59.23 1kkx h GLN 65 Cb 1.86 0.08 -0.08 0.00 0.08 0.00 0.00 27.48 29.42 1kkx h GLN 65 CO -0.77 1.00 -0.43 -0.09 0.09 0.00 0.00 178.83 178.64 1kkx h ARG 66 N 0.17 -0.36 0.00 0.06 9.65 0.41 0.70 114.38 125.01 1kkx h ARG 66 Ca -0.05 0.02 0.00 0.00 -1.10 0.00 0.00 59.98 58.85 1kkx h ARG 66 Cb 1.50 0.08 0.00 0.00 -1.39 0.00 0.00 29.97 30.16 1kkx h ARG 66 CO 0.14 -0.24 0.00 -0.07 2.80 0.00 0.00 179.97 182.60 1kkx h LEU 67 N -0.37 0.00 0.10 3.80 4.07 -1.62 -3.45 115.31 117.83 1kkx h LEU 67 Ca 0.12 0.00 -0.10 0.00 0.08 0.00 0.00 57.88 57.98 1kkx h LEU 67 Cb 0.60 0.00 0.01 0.00 1.08 0.00 0.00 40.66 42.34 1kkx h LEU 67 CO -0.52 0.00 -0.14 1.67 -1.08 0.00 0.00 178.44 178.37 1kkx n GLN 68 N -2.52 -0.95 -0.09 1.13 7.27 0.24 -3.11 117.38 119.36 1kkx n GLN 68 Ca -0.01 0.23 -0.13 0.00 0.07 0.00 0.00 57.00 57.16 1kkx n GLN 68 Cb 0.08 -3.76 -0.09 0.00 2.41 0.00 0.00 30.24 28.88 1kkx n GLN 68 CO 0.00 0.00 0.00 1.51 0.07 0.00 0.00 177.06 178.64 1kkx n ILE 69 N -3.67 1.09 -2.52 1.69 3.06 -1.10 -4.26 119.36 113.65 1kkx n ILE 69 Ca -0.04 -0.44 -0.18 0.00 -2.50 0.00 0.00 62.75 59.59 1kkx n ILE 69 Cb 0.53 -1.11 0.00 0.00 0.54 0.00 0.00 39.64 39.61 1kkx n ILE 69 CO 0.00 0.00 0.00 -0.24 -2.50 0.00 0.00 176.55 173.81 1kkx n SER 70 N -3.00 -5.29 -3.06 9.51 2.88 -0.67 -4.93 113.62 109.06 1kkx n SER 70 Ca -0.33 -0.09 -0.26 0.00 -1.33 0.00 0.00 58.87 56.86 1kkx n SER 70 Cb 0.88 -4.28 -0.05 0.00 -0.75 0.00 0.00 64.21 60.00 1kkx n SER 70 CO 0.00 0.00 0.00 -0.67 -1.23 0.00 0.00 175.04 173.14 1kkx n ASP 71 N -1.56 3.77 -0.37 -3.46 -0.08 -1.26 -4.94 116.55 108.66 1kkx n ASP 71 Ca -0.17 -3.53 0.30 0.00 -1.51 0.00 0.00 54.79 49.88 1kkx n ASP 71 Cb 0.64 -0.59 0.50 0.00 2.34 0.00 0.00 41.12 44.01 1kkx n ASP 71 CO 0.00 0.00 0.00 -1.22 0.12 0.00 0.00 177.20 176.10 1kkx n TYR 72 N 0.05 0.38 -0.17 -0.67 4.01 -1.26 0.22 117.16 119.72 1kkx n TYR 72 Ca 0.30 0.38 -0.10 0.00 -0.16 0.00 0.00 57.90 58.32 1kkx n TYR 72 Cb 0.43 -0.77 0.00 0.00 -0.31 0.00 0.00 39.34 38.69 1kkx n TYR 72 CO 0.00 0.00 0.00 -0.56 -0.46 0.00 0.00 176.86 175.84 1kkx h GLN 73 N 0.00 0.86 -0.12 -0.72 -0.00 -1.92 -2.35 115.11 110.85 1kkx h GLN 73 Ca 0.63 -0.28 -0.06 0.00 -0.00 0.00 0.00 58.65 58.95 1kkx h GLN 73 Cb 2.14 -0.08 -0.01 0.00 -0.00 0.00 0.00 27.48 29.54 1kkx h GLN 73 CO -0.25 0.90 -0.18 0.37 -0.00 0.00 0.00 178.83 179.66 1kkx h GLN 74 N 0.71 0.19 0.02 0.06 5.75 0.24 -2.76 115.11 119.32 1kkx h GLN 74 Ca 0.14 -0.05 0.00 0.00 -0.15 0.00 0.00 58.65 58.59 1kkx h GLN 74 Cb 0.52 -0.02 -0.00 0.00 1.07 0.00 0.00 27.48 29.04 1kkx h GLN 74 CO 0.03 0.38 -0.04 -0.07 -2.65 0.00 0.00 178.83 176.47 1kkx h LEU 75 N 0.18 -0.13 -1.55 -2.39 -0.00 -0.98 0.43 115.31 110.88 1kkx h LEU 75 Ca 0.03 0.01 0.00 0.00 -0.00 0.00 0.00 57.88 57.93 1kkx h LEU 75 Cb 0.43 0.04 0.00 0.00 -0.00 0.00 0.00 40.66 41.14 1kkx h LEU 75 CO 0.03 -0.05 0.01 -0.08 -0.00 0.00 0.00 178.44 178.35 1kkx h GLU 76 N -0.07 0.00 0.00 1.13 4.81 -1.55 2.42 114.58 121.32 1kkx h GLU 76 Ca -0.00 0.00 -0.08 0.00 -0.13 0.00 0.00 59.36 59.15 1kkx h GLU 76 Cb 0.07 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.44 1kkx h GLU 76 CO -0.02 0.00 -0.38 1.03 -0.73 0.00 0.00 179.01 178.91 1kkx h SER 77 N 0.00 0.00 0.01 1.04 0.87 -0.33 1.94 113.55 117.08 1kkx h SER 77 Ca 0.00 0.00 -0.00 0.00 -1.23 0.00 0.00 61.79 60.56 1kkx h SER 77 Cb 0.02 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 61.98 1kkx h SER 77 CO 0.00 0.38 -0.00 0.16 -0.53 0.00 0.00 176.83 176.84 1kkx h ILE 78 N 0.00 1.45 0.17 2.23 3.07 0.81 0.86 117.51 126.09 1kkx h ILE 78 Ca -0.00 -2.04 -0.01 0.00 1.55 0.00 0.00 64.86 64.36 1kkx h ILE 78 Cb 0.75 2.72 0.00 0.00 -0.27 0.00 0.00 36.82 40.02 1kkx h ILE 78 CO 0.05 0.48 -0.08 0.22 -1.05 0.00 0.00 178.15 177.77 1kkx h TYR 79 N -0.98 -0.21 0.00 0.16 5.03 -0.38 -0.98 116.97 119.62 1kkx h TYR 79 Ca -0.00 -0.00 -0.07 0.00 2.58 0.00 0.00 58.73 61.23 1kkx h TYR 79 Cb 0.80 0.07 -0.01 0.00 1.55 0.00 0.00 36.73 39.14 1kkx h TYR 79 CO 0.22 0.18 -0.47 0.35 -1.32 0.00 0.00 178.16 177.12 1kkx h PHE 80 N -0.67 0.00 0.00 -3.82 3.57 0.29 1.73 116.94 118.04 1kkx h PHE 80 Ca -0.02 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.48 1kkx h PHE 80 Cb 0.48 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.22 1kkx h PHE 80 CO 0.06 0.76 -0.01 0.54 -2.23 0.00 0.00 178.31 177.44 1kkx n ARG 81 N -4.59 0.17 -0.03 1.11 3.00 0.24 -2.91 116.66 113.65 1kkx n ARG 81 Ca -0.14 0.14 -0.02 0.00 -0.01 0.00 0.00 57.85 57.82 1kkx n ARG 81 Cb 0.40 -1.70 -0.06 0.00 0.00 0.00 0.00 32.46 31.11 1kkx n ARG 81 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.63 176.74 1kkx n ILE 82 N -1.99 0.39 -2.69 0.55 5.41 0.27 -4.87 119.36 116.43 1kkx n ILE 82 Ca 0.06 -0.28 -0.06 0.00 1.00 0.00 0.00 62.75 63.47 1kkx n ILE 82 Cb 0.40 -0.58 0.10 0.00 -0.71 0.00 0.00 39.64 38.85 1kkx n ILE 82 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 176.55 176.44 1kkx n LEU 83 N -2.17 -1.71 0.00 1.39 0.00 -0.41 -4.48 117.00 109.62 1kkx n LEU 83 Ca -0.10 -2.68 0.00 0.00 0.00 0.00 0.00 56.01 53.23 1kkx n LEU 83 Cb 0.63 0.94 0.00 0.00 0.00 0.00 0.00 43.42 44.99 1kkx n LEU 83 CO 0.16 1.80 0.44 -0.11 0.00 0.00 0.00 177.39 179.68 1kkx n LEU 84 N 0.38 0.00 -0.07 -1.96 -0.00 0.59 -3.89 117.00 112.05 1kkx n LEU 84 Ca -0.01 0.89 -0.02 0.00 -0.00 0.00 0.00 56.01 56.87 1kkx n LEU 84 Cb 0.73 -0.39 -0.02 0.00 -0.00 0.00 0.00 43.42 43.75 1kkx n LEU 84 CO -0.04 -0.39 0.46 -0.81 -0.00 0.00 0.00 177.39 176.61 1kkx n PRO 85 N -1.68 -0.07 0.00 1.96 -0.04 -1.26 -2.03 135.00 131.88 1kkx n PRO 85 Ca 0.00 1.00 0.00 0.00 -0.04 0.00 0.00 63.50 64.46 1kkx n PRO 85 Cb 0.00 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 31.96 1kkx n PRO 85 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 1kkx n TYR 86 N -3.31 0.00 -0.04 0.54 4.01 -1.26 -0.03 117.16 117.07 1kkx n TYR 86 Ca 0.00 0.00 0.25 0.00 -0.16 0.00 0.00 57.90 57.99 1kkx n TYR 86 Cb 0.04 -0.27 0.67 0.00 -0.31 0.00 0.00 39.34 39.48 1kkx n TYR 86 CO 0.00 0.00 0.00 1.05 -0.46 0.00 0.00 176.86 177.45 1kkx h GLU 87 N 0.00 0.00 -0.17 -0.72 4.11 -1.67 0.98 114.58 117.11 1kkx h GLU 87 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.43 1kkx h GLU 87 Cb 0.00 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.25 1kkx h GLU 87 CO 0.00 0.00 0.00 -2.13 0.07 0.00 0.00 179.01 176.95 1kkx n ARG 88 N -3.65 1.59 0.00 1.06 0.00 0.95 -4.19 116.66 112.43 1kkx n ARG 88 Ca 0.14 -0.90 0.00 0.00 -0.00 0.00 0.00 57.85 57.09 1kkx n ARG 88 Cb 0.94 -1.33 0.00 0.00 0.00 0.00 0.00 32.46 32.07 1kkx n ARG 88 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 177.63 179.21 1kkx n HIS 89 N 0.15 0.00 0.15 -0.14 -0.00 0.34 -4.40 115.22 111.31 1kkx n HIS 89 Ca 0.14 0.00 0.18 0.00 0.46 0.00 0.00 57.72 58.50 1kkx n HIS 89 Cb 0.26 -0.18 0.63 0.00 -0.12 0.00 0.00 29.99 30.59 1kkx n HIS 89 CO 0.00 0.00 0.00 0.00 0.46 0.00 0.00 176.34 176.80 1kkx h MET 90 N 0.00 0.00 0.02 1.57 -0.00 -1.67 -1.90 114.93 112.96 1kkx h MET 90 Ca 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 59.70 59.70 1kkx h MET 90 Cb 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 31.60 31.60 1kkx h MET 90 CO 0.00 0.00 -0.03 0.82 -0.00 0.00 0.00 176.91 177.70 1kkx h ILE 91 N 0.00 0.00 0.00 -0.10 2.04 -1.77 0.84 117.51 118.52 1kkx h ILE 91 Ca 0.16 0.00 -0.02 0.00 1.00 0.00 0.00 64.86 65.99 1kkx h ILE 91 Cb 1.34 0.00 -0.00 0.00 -0.74 0.00 0.00 36.82 37.42 1kkx h ILE 91 CO -0.00 0.00 -0.11 0.28 0.00 0.00 0.00 178.15 178.32 1kkx h SER 92 N -0.06 0.00 -2.02 1.72 0.02 -1.72 -3.37 113.55 108.12 1kkx h SER 92 Ca -0.00 0.00 -0.48 0.00 -0.84 0.00 0.00 61.79 60.47 1kkx h SER 92 Cb 0.05 0.00 -0.33 0.00 0.14 0.00 0.00 62.40 62.27 1kkx h SER 92 CO -0.01 0.11 -0.86 0.00 -1.14 0.00 0.00 176.83 174.93 1kkx n GLN 93 N -3.19 0.27 -0.52 3.45 10.64 -0.74 -4.98 117.38 122.31 1kkx n GLN 93 Ca 0.01 -2.89 0.45 0.00 -1.83 0.00 0.00 57.00 52.74 1kkx n GLN 93 Cb 0.44 -1.62 0.79 0.00 -0.86 0.00 0.00 30.24 28.99 1kkx n GLN 93 CO 0.00 0.00 0.00 0.93 -1.83 0.00 0.00 177.06 176.16 1kkx h GLU 94 N 5.46 0.00 -4.51 2.61 5.08 0.54 -3.30 114.58 120.47 1kkx h GLU 94 Ca 0.22 -0.00 -0.24 0.00 -1.00 0.00 0.00 59.36 58.34 1kkx h GLU 94 Cb 0.96 -0.00 0.11 0.00 0.50 0.00 0.00 28.75 30.32 1kkx h GLU 94 CO 0.28 0.00 -0.52 0.41 -1.00 0.00 0.00 179.01 178.18 1kkx n GLY 95 N -1.85 -0.11 0.60 -3.84 0.00 -1.26 -4.74 105.19 93.99 1kkx n GLY 95 Ca 0.35 -0.07 0.01 0.00 0.00 0.00 0.00 46.02 46.31 1kkx n GLY 95 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1kkx n ILE 96 N -3.41 0.24 -1.28 -0.61 5.41 -1.26 -2.06 119.36 116.40 1kkx n ILE 96 Ca -0.16 -0.12 0.00 0.00 1.00 0.00 0.00 62.75 63.47 1kkx n ILE 96 Cb 0.60 -0.46 0.00 0.00 -0.71 0.00 0.00 39.64 39.08 1kkx n ILE 96 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 176.55 176.84 1kkx n LYS 97 N 0.04 0.20 -0.05 0.38 5.02 -1.26 -4.82 118.16 117.67 1kkx n LYS 97 Ca 0.02 -0.78 0.00 0.00 -2.02 0.00 0.00 58.31 55.54 1kkx n LYS 97 Cb 0.32 -0.56 0.00 0.00 -0.02 0.00 0.00 35.03 34.78 1kkx n LYS 97 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 1kkx n GLU 98 N -0.07 0.00 -1.79 1.97 1.02 -1.16 -4.99 120.64 115.62 1kkx n GLU 98 Ca 0.00 -0.02 -0.37 0.00 -0.02 0.00 0.00 57.16 56.75 1kkx n GLU 98 Cb 0.56 -0.02 -0.02 0.00 -0.02 0.00 0.00 31.44 31.94 1kkx n GLU 98 CO 0.00 0.00 0.00 0.25 1.18 0.00 0.00 177.13 178.56 1kkx n THR 99 N 0.00 4.79 -2.77 2.62 -2.24 -0.87 -4.96 114.28 110.85 1kkx n THR 99 Ca 0.00 -3.78 -0.39 0.00 -2.27 0.00 0.00 64.05 57.61 1kkx n THR 99 Cb 0.50 -2.10 -0.06 0.00 -2.10 0.00 0.00 70.33 66.56 1kkx n THR 99 CO 0.00 0.00 0.00 -1.10 -0.57 0.00 0.00 175.07 173.40 1kkx s GLN 100 N -0.60 4.75 0.00 -0.78 -0.21 -1.26 -4.94 119.66 116.62 1kkx s GLN 100 Ca 0.58 1.42 0.23 0.00 0.02 0.00 0.00 55.36 57.61 1kkx s GLN 100 Cb 0.21 -3.10 1.16 0.00 1.00 0.00 0.00 33.01 32.28 1kkx s GLN 100 CO -0.10 0.43 1.77 0.00 -2.12 0.00 0.00 175.29 175.27 1kkx n ALA 101 N 1.14 2.60 -2.68 6.09 0.00 -1.26 -4.89 120.51 121.50 1kkx n ALA 101 Ca -0.01 -0.28 -0.21 0.00 0.00 0.00 0.00 53.44 52.94 1kkx n ALA 101 Cb 0.48 -1.27 0.01 0.00 0.00 0.00 0.00 19.45 18.67 1kkx n ALA 101 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 1kkx n LYS 102 N -0.41 -3.17 -3.62 0.00 4.81 -1.26 -2.73 118.16 111.78 1kkx n LYS 102 Ca 0.17 0.94 -0.29 0.00 -0.87 0.00 0.00 58.31 58.27 1kkx n LYS 102 Cb 0.18 -5.67 -0.05 0.00 0.02 0.00 0.00 35.03 29.51 1kkx n LYS 102 CO 0.00 0.00 0.00 2.89 1.17 0.00 0.00 177.40 181.46 1kkx n ARG 103 N -3.45 -1.01 0.00 1.64 1.85 -1.26 -5.34 116.66 109.09 1kkx n ARG 103 Ca -0.18 0.09 0.07 0.00 -1.00 0.00 0.00 57.85 56.84 1kkx n ARG 103 Cb 0.65 -3.62 0.42 0.00 -1.05 0.00 0.00 32.46 28.87 1kkx n ARG 103 CO 0.00 0.00 0.00 0.44 -0.01 0.00 0.00 177.63 178.06