#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kc4 n ILE 3 N 0.00 0.00 -4.71 1.53 -5.35 -1.26 -5.11 119.36 104.46 3kc4 n ILE 3 Ca 0.00 0.00 -0.26 0.00 -0.27 0.00 0.00 62.75 62.22 3kc4 n ILE 3 Cb 0.00 -0.54 -0.17 0.00 -1.74 0.00 0.00 39.64 37.19 3kc4 n ILE 3 CO 0.00 0.00 0.00 -0.54 -1.76 0.00 0.00 176.55 174.25 3kc4 s LYS 4 N 3.32 1.95 0.12 6.28 1.02 -1.26 -5.06 119.74 126.11 3kc4 s LYS 4 Ca 0.00 -0.50 -0.23 0.00 0.02 0.00 0.00 55.97 55.26 3kc4 s LYS 4 Cb 0.00 -1.57 -0.05 0.00 -0.52 0.00 0.00 37.83 35.69 3kc4 s LYS 4 CO 0.00 0.06 1.68 0.66 -0.92 0.00 0.00 175.35 176.83 3kc4 h SER 5 N 6.91 -0.39 0.00 2.83 4.64 -2.06 -2.94 113.55 122.54 3kc4 h SER 5 Ca -0.29 0.07 0.00 0.00 -0.47 0.00 0.00 61.79 61.10 3kc4 h SER 5 Cb 1.20 0.18 0.00 0.00 -0.31 0.00 0.00 62.40 63.47 3kc4 h SER 5 CO 0.47 -0.17 0.00 0.00 -0.87 0.00 0.00 176.83 176.26 3kc4 n ALA 6 N -2.48 1.36 0.35 5.18 0.00 -1.26 -3.05 120.51 120.61 3kc4 n ALA 6 Ca -0.04 0.00 0.14 0.00 0.00 0.00 0.00 53.44 53.55 3kc4 n ALA 6 Cb 0.19 -0.91 0.57 0.00 0.00 0.00 0.00 19.45 19.30 3kc4 n ALA 6 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 177.50 179.07 3kc4 h LYS 7 N 0.00 0.00 0.00 0.00 2.10 -1.96 -1.18 116.57 115.53 3kc4 h LYS 7 Ca 0.00 0.00 -0.01 0.00 -2.00 0.00 0.00 60.65 58.64 3kc4 h LYS 7 Cb 0.00 0.00 -0.00 0.00 -0.90 0.00 0.00 32.23 31.33 3kc4 h LYS 7 CO 0.00 0.00 -0.06 1.57 -2.00 0.00 0.00 179.45 178.96 3kc4 h LYS 8 N 0.00 0.00 -0.64 0.07 5.09 -1.83 -3.24 116.57 116.01 3kc4 h LYS 8 Ca 0.00 0.00 0.14 0.00 0.09 0.00 0.00 60.65 60.88 3kc4 h LYS 8 Cb 0.47 0.00 -0.04 0.00 0.10 0.00 0.00 32.23 32.77 3kc4 h LYS 8 CO 0.00 0.06 0.44 -0.09 -2.09 0.00 0.00 179.45 177.77 3kc4 h ARG 9 N 0.00 0.25 -0.79 0.07 9.65 -1.49 -3.00 114.38 119.06 3kc4 h ARG 9 Ca -0.00 -0.01 0.07 0.00 -1.10 0.00 0.00 59.98 58.93 3kc4 h ARG 9 Cb 0.13 -0.06 -0.05 0.00 -1.39 0.00 0.00 29.97 28.60 3kc4 h ARG 9 CO 0.01 0.16 0.52 0.00 2.80 0.00 0.00 179.97 183.46 3kc4 h ALA 10 N 1.69 1.65 -0.01 2.80 0.00 -1.74 -3.20 119.26 120.44 3kc4 h ALA 10 Ca 0.31 -0.02 -0.08 0.00 0.00 0.00 0.00 54.91 55.12 3kc4 h ALA 10 Cb 0.86 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.43 3kc4 h ALA 10 CO -0.07 0.23 -0.38 -0.84 0.00 0.00 0.00 179.25 178.19 3kc4 h ILE 11 N 0.84 1.28 -0.02 0.00 3.07 -1.79 -2.56 117.51 118.33 3kc4 h ILE 11 Ca 0.34 -1.32 0.00 0.00 1.55 0.00 0.00 64.86 65.43 3kc4 h ILE 11 Cb 0.25 1.69 0.00 0.00 -0.27 0.00 0.00 36.82 38.50 3kc4 h ILE 11 CO -0.12 0.38 -0.19 0.00 -1.05 0.00 0.00 178.15 177.17 3kc4 n GLN 12 N -4.08 1.59 0.00 0.16 10.64 -1.21 -3.47 117.38 121.01 3kc4 n GLN 12 Ca -0.02 -1.19 0.12 0.00 -1.83 0.00 0.00 57.00 54.08 3kc4 n GLN 12 Cb 0.42 -1.48 0.19 0.00 -0.86 0.00 0.00 30.24 28.52 3kc4 n GLN 12 CO 0.00 0.00 0.00 0.43 -1.83 0.00 0.00 177.06 175.66 3kc4 n SER 13 N 0.33 0.65 -0.09 2.61 7.64 -0.96 -3.15 113.62 120.64 3kc4 n SER 13 Ca 0.13 -0.44 -0.01 0.00 1.01 0.00 0.00 58.87 59.56 3kc4 n SER 13 Cb 0.46 0.37 0.26 0.00 -1.01 0.00 0.00 64.21 64.30 3kc4 n SER 13 CO 0.00 0.00 0.00 -0.08 -3.01 0.00 0.00 175.04 171.95 3kc4 h GLU 14 N 0.13 0.74 0.00 1.43 4.57 -1.69 -0.35 114.58 119.40 3kc4 h GLU 14 Ca 0.00 -0.12 -0.12 0.00 -1.18 0.00 0.00 59.36 57.95 3kc4 h GLU 14 Cb 0.50 -0.13 -0.02 0.00 -0.16 0.00 0.00 28.75 28.95 3kc4 h GLU 14 CO 0.00 0.63 -0.55 0.87 -1.18 0.00 0.00 179.01 178.77 3kc4 h LYS 15 N 0.72 0.00 -0.01 1.92 1.57 -1.79 0.21 116.57 119.19 3kc4 h LYS 15 Ca 0.17 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.95 3kc4 h LYS 15 Cb 0.19 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.50 3kc4 h LYS 15 CO -0.01 0.55 -0.08 0.00 -0.57 0.00 0.00 179.45 179.34 3kc4 n ALA 16 N -2.29 2.73 -0.56 3.86 0.00 -0.64 -1.17 120.51 122.44 3kc4 n ALA 16 Ca 0.01 -0.44 0.09 0.00 0.00 0.00 0.00 53.44 53.09 3kc4 n ALA 16 Cb 0.68 -1.14 0.29 0.00 0.00 0.00 0.00 19.45 19.28 3kc4 n ALA 16 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3kc4 n ARG 17 N -0.04 3.34 0.00 0.00 1.74 -0.08 -2.57 116.66 119.05 3kc4 n ARG 17 Ca 0.17 -2.68 0.00 0.00 -0.77 0.00 0.00 57.85 54.57 3kc4 n ARG 17 Cb 0.36 -1.72 0.00 0.00 -1.02 0.00 0.00 32.46 30.08 3kc4 n ARG 17 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 3kc4 n LYS 18 N 0.77 4.16 0.04 5.56 4.76 -0.35 -4.52 118.16 128.58 3kc4 n LYS 18 Ca 0.22 -0.01 0.00 0.00 -2.87 0.00 0.00 58.31 55.65 3kc4 n LYS 18 Cb 0.76 -0.33 0.00 0.00 -1.84 0.00 0.00 35.03 33.62 3kc4 n LYS 18 CO 0.00 0.00 0.00 1.58 -1.37 0.00 0.00 177.40 177.61 3kc4 n HIS 19 N -0.60 -0.49 -0.25 2.13 -0.00 -0.32 -3.79 115.22 111.91 3kc4 n HIS 19 Ca 0.00 0.09 0.01 0.00 0.46 0.00 0.00 57.72 58.28 3kc4 n HIS 19 Cb 0.00 0.21 0.14 0.00 -0.12 0.00 0.00 29.99 30.22 3kc4 n HIS 19 CO 0.00 0.00 0.00 -0.97 0.46 0.00 0.00 176.34 175.83 3kc4 h ASN 20 N 0.00 0.48 -0.91 0.26 -0.00 -1.70 -1.11 115.58 112.60 3kc4 h ASN 20 Ca 0.00 0.06 0.12 0.00 -0.00 0.00 0.00 56.30 56.48 3kc4 h ASN 20 Cb 0.32 -0.03 -0.14 0.00 -0.00 0.00 0.00 38.32 38.48 3kc4 h ASN 20 CO 0.00 0.28 -0.46 0.00 -0.00 0.00 0.00 177.43 177.25 3kc4 h ALA 21 N 1.42 -0.15 -0.61 1.57 0.00 -1.79 -0.31 119.26 119.39 3kc4 h ALA 21 Ca 0.35 0.20 0.06 0.00 0.00 0.00 0.00 54.91 55.52 3kc4 h ALA 21 Cb 0.35 1.11 -0.06 0.00 0.00 0.00 0.00 17.79 19.20 3kc4 h ALA 21 CO -0.26 -0.77 0.31 0.77 0.00 0.00 0.00 179.25 179.30 3kc4 h SER 22 N -0.05 0.44 -0.61 0.00 0.02 -1.34 -2.75 113.55 109.26 3kc4 h SER 22 Ca 0.26 0.04 -0.07 0.00 -0.84 0.00 0.00 61.79 61.17 3kc4 h SER 22 Cb 0.53 -0.04 -0.03 0.00 0.14 0.00 0.00 62.40 63.01 3kc4 h SER 22 CO -0.91 0.28 0.10 0.03 -1.14 0.00 0.00 176.83 175.20 3kc4 h ARG 23 N 0.58 1.04 -0.26 3.45 2.47 -0.15 0.03 114.38 121.54 3kc4 h ARG 23 Ca 0.28 -0.27 -0.01 0.00 -1.26 0.00 0.00 59.98 58.72 3kc4 h ARG 23 Cb 0.21 -0.13 -0.01 0.00 -1.65 0.00 0.00 29.97 28.39 3kc4 h ARG 23 CO -0.20 0.95 0.11 0.00 0.56 0.00 0.00 179.97 181.39 3kc4 h ARG 24 N 0.97 0.38 -0.03 0.04 3.08 -0.86 -0.49 114.38 117.47 3kc4 h ARG 24 Ca 0.20 -0.06 -0.17 0.00 0.07 0.00 0.00 59.98 60.02 3kc4 h ARG 24 Cb 0.42 -0.06 -0.01 0.00 0.08 0.00 0.00 29.97 30.39 3kc4 h ARG 24 CO 0.01 0.40 -0.72 0.77 -1.07 0.00 0.00 179.97 179.35 3kc4 h SER 25 N 0.27 0.23 -0.63 7.04 0.02 -1.36 -3.36 113.55 115.75 3kc4 h SER 25 Ca 0.09 -0.15 -0.03 0.00 -0.84 0.00 0.00 61.79 60.85 3kc4 h SER 25 Cb 0.15 -0.07 -0.03 0.00 0.14 0.00 0.00 62.40 62.59 3kc4 h SER 25 CO -0.01 0.87 0.28 -0.03 -1.14 0.00 0.00 176.83 176.81 3kc4 h MET 26 N 0.12 0.96 0.00 3.45 1.85 0.71 -2.45 114.93 119.57 3kc4 h MET 26 Ca -0.02 -0.14 0.00 0.00 -0.61 0.00 0.00 59.70 58.92 3kc4 h MET 26 Cb 1.28 -0.17 0.00 0.00 0.43 0.00 0.00 31.60 33.14 3kc4 h MET 26 CO 0.11 0.77 -1.26 0.00 -0.40 0.00 0.00 176.91 176.12 3kc4 n MET 27 N -4.32 0.48 0.02 0.39 0.00 -1.06 -3.58 117.12 109.05 3kc4 n MET 27 Ca 0.06 -0.01 -0.13 0.00 0.00 0.00 0.00 57.70 57.62 3kc4 n MET 27 Cb 0.16 -1.65 -0.14 0.00 0.00 0.00 0.00 33.22 31.59 3kc4 n MET 27 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 175.97 175.88 3kc4 h ARG 28 N 0.00 0.11 -0.39 3.17 2.43 -1.66 -2.98 114.38 115.07 3kc4 h ARG 28 Ca 0.00 -0.20 -0.10 0.00 -0.81 0.00 0.00 59.98 58.87 3kc4 h ARG 28 Cb 0.88 0.07 -0.02 0.00 -0.42 0.00 0.00 29.97 30.49 3kc4 h ARG 28 CO 0.00 0.84 -0.17 1.15 -1.51 0.00 0.00 179.97 180.28 3kc4 h THR 29 N 0.03 1.26 -0.58 0.20 2.02 -1.50 -2.08 112.91 112.27 3kc4 h THR 29 Ca -0.27 -1.24 -0.03 0.00 0.77 0.00 0.00 66.41 65.64 3kc4 h THR 29 Cb 1.99 1.15 -0.03 0.00 -1.74 0.00 0.00 68.15 69.53 3kc4 h THR 29 CO 0.11 0.42 0.23 -0.26 0.37 0.00 0.00 175.52 176.38 3kc4 h PHE 30 N 0.65 0.84 -0.70 3.16 -1.00 -1.65 -1.82 116.94 116.42 3kc4 h PHE 30 Ca 0.10 -0.04 -0.03 0.00 2.81 0.00 0.00 57.97 60.81 3kc4 h PHE 30 Cb 0.65 -0.26 -0.03 0.00 3.61 0.00 0.00 35.95 39.92 3kc4 h PHE 30 CO 0.03 0.65 0.32 0.82 -1.61 0.00 0.00 178.31 178.52 3kc4 h ILE 31 N 0.82 1.23 -0.81 -0.55 2.04 -1.30 -2.26 117.51 116.68 3kc4 h ILE 31 Ca 0.20 -0.65 -0.03 0.00 1.00 0.00 0.00 64.86 65.37 3kc4 h ILE 31 Cb 0.16 0.35 -0.04 0.00 -0.74 0.00 0.00 36.82 36.55 3kc4 h ILE 31 CO -0.02 0.27 0.39 0.11 0.00 0.00 0.00 178.15 178.90 3kc4 h LYS 32 N 0.99 1.17 -0.16 2.37 1.57 -0.66 -0.38 116.57 121.46 3kc4 h LYS 32 Ca 0.24 -0.17 0.05 0.00 -1.87 0.00 0.00 60.65 58.89 3kc4 h LYS 32 Cb 0.12 -0.21 -0.01 0.00 0.08 0.00 0.00 32.23 32.21 3kc4 h LYS 32 CO -0.03 0.90 0.18 0.87 -0.57 0.00 0.00 179.45 180.81 3kc4 h LYS 33 N 1.15 0.00 0.06 3.15 1.57 -1.02 0.42 116.57 121.91 3kc4 h LYS 33 Ca 0.28 0.00 -0.14 0.00 -1.87 0.00 0.00 60.65 58.92 3kc4 h LYS 33 Cb 0.12 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.43 3kc4 h LYS 33 CO -0.03 0.00 -0.67 0.28 -0.57 0.00 0.00 179.45 178.46 3kc4 h VAL 34 N 0.00 1.46 -0.11 0.50 2.07 -0.59 -2.42 116.25 117.16 3kc4 h VAL 34 Ca 0.08 -2.39 -0.02 0.00 0.82 0.00 0.00 66.70 65.18 3kc4 h VAL 34 Cb 0.44 3.06 -0.01 0.00 -1.52 0.00 0.00 31.29 33.26 3kc4 h VAL 34 CO -0.00 0.62 -0.04 1.88 0.02 0.00 0.00 177.57 180.05 3kc4 h TYR 35 N -0.69 0.16 0.04 1.57 0.05 -0.73 -1.30 116.97 116.07 3kc4 h TYR 35 Ca -0.14 -0.01 0.00 0.00 0.05 0.00 0.00 58.73 58.63 3kc4 h TYR 35 Cb 1.37 -0.05 -0.01 0.00 1.01 0.00 0.00 36.73 39.05 3kc4 h TYR 35 CO 0.20 0.21 -0.08 0.00 -1.05 0.00 0.00 178.16 177.44 3kc4 h ALA 36 N 1.81 -0.68 -0.05 3.88 0.00 -0.21 -2.67 119.26 121.34 3kc4 h ALA 36 Ca 0.04 -0.02 0.01 0.00 0.00 0.00 0.00 54.91 54.94 3kc4 h ALA 36 Cb 0.18 0.46 -0.00 0.00 0.00 0.00 0.00 17.79 18.42 3kc4 h ALA 36 CO 0.01 -0.69 0.12 0.00 0.00 0.00 0.00 179.25 178.69 3kc4 h ALA 37 N -1.47 1.35 -0.29 0.00 0.00 -0.89 -0.20 119.26 117.76 3kc4 h ALA 37 Ca -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.90 3kc4 h ALA 37 Cb 0.12 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.91 3kc4 h ALA 37 CO -0.03 -0.15 0.00 0.44 0.00 0.00 0.00 179.25 179.51 3kc4 n ILE 38 N -3.33 0.38 0.29 0.00 -5.35 -0.54 -1.17 119.36 109.63 3kc4 n ILE 38 Ca -0.02 -0.55 0.13 0.00 -0.27 0.00 0.00 62.75 62.04 3kc4 n ILE 38 Cb 0.20 0.64 0.26 0.00 -1.74 0.00 0.00 39.64 39.00 3kc4 n ILE 38 CO 0.00 0.00 0.00 -0.33 -1.76 0.00 0.00 176.55 174.46 3kc4 h GLU 39 N 3.27 0.00 -0.09 6.28 5.08 -0.69 -2.96 114.58 125.46 3kc4 h GLU 39 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 3kc4 h GLU 39 Cb 0.72 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.97 3kc4 h GLU 39 CO 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 179.01 178.01 3kc4 n ALA 40 N -2.05 2.16 -0.96 3.43 0.00 -1.19 -4.99 120.51 116.91 3kc4 n ALA 40 Ca 0.04 -0.93 0.00 0.00 0.00 0.00 0.00 53.44 52.55 3kc4 n ALA 40 Cb 0.49 -0.14 0.00 0.00 0.00 0.00 0.00 19.45 19.80 3kc4 n ALA 40 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3kc4 n GLY 41 N -0.08 0.88 3.78 0.00 0.00 -0.93 -4.99 105.19 103.86 3kc4 n GLY 41 Ca 0.03 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.70 3kc4 n GLY 41 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 3kc4 s ASP 42 N -2.86 6.26 -0.14 1.61 1.47 -0.32 -4.87 116.67 117.82 3kc4 s ASP 42 Ca 0.00 2.10 0.15 0.00 1.18 0.00 0.00 52.55 55.99 3kc4 s ASP 42 Cb 0.00 -2.58 0.32 0.00 -0.34 0.00 0.00 42.92 40.32 3kc4 s ASP 42 CO 0.00 -0.85 1.17 0.29 0.68 0.00 0.00 175.17 176.46 3kc4 n LYS 43 N -0.71 1.24 -0.06 2.11 4.76 -1.26 -3.89 118.16 120.34 3kc4 n LYS 43 Ca 0.08 -2.70 0.05 0.00 -2.87 0.00 0.00 58.31 52.87 3kc4 n LYS 43 Cb 0.50 -1.40 0.08 0.00 -1.84 0.00 0.00 35.03 32.37 3kc4 n LYS 43 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 3kc4 n ALA 44 N -1.13 2.35 -2.38 7.82 0.00 -1.26 -2.07 120.51 123.84 3kc4 n ALA 44 Ca 0.15 -0.80 -0.01 0.00 0.00 0.00 0.00 53.44 52.79 3kc4 n ALA 44 Cb 0.69 -0.34 0.00 0.00 0.00 0.00 0.00 19.45 19.79 3kc4 n ALA 44 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3kc4 n ALA 45 N 0.47 2.91 0.00 0.00 0.00 -1.26 -4.55 120.51 118.08 3kc4 n ALA 45 Ca 0.07 -1.72 0.00 0.00 0.00 0.00 0.00 53.44 51.80 3kc4 n ALA 45 Cb 0.30 -0.62 0.00 0.00 0.00 0.00 0.00 19.45 19.13 3kc4 n ALA 45 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3kc4 n ALA 46 N 0.05 0.37 -0.05 0.00 0.00 -1.25 -4.04 120.51 115.60 3kc4 n ALA 46 Ca -0.07 0.00 0.04 0.00 0.00 0.00 0.00 53.44 53.40 3kc4 n ALA 46 Cb 0.94 0.00 0.09 0.00 0.00 0.00 0.00 19.45 20.47 3kc4 n ALA 46 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 3kc4 n GLN 47 N -0.24 2.43 0.00 0.00 6.02 -0.88 -1.49 117.38 123.22 3kc4 n GLN 47 Ca 0.00 -1.70 0.00 0.00 -0.01 0.00 0.00 57.00 55.29 3kc4 n GLN 47 Cb 0.00 -1.17 0.00 0.00 1.02 0.00 0.00 30.24 30.09 3kc4 n GLN 47 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 177.06 177.68 3kc4 n LYS 48 N 0.20 -0.24 0.00 -1.09 4.76 -1.21 -3.38 118.16 117.19 3kc4 n LYS 48 Ca 0.07 -0.61 0.00 0.00 -2.87 0.00 0.00 58.31 54.90 3kc4 n LYS 48 Cb 0.33 -0.94 0.00 0.00 -1.84 0.00 0.00 35.03 32.59 3kc4 n LYS 48 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 3kc4 n ALA 49 N -0.08 2.19 0.25 7.82 0.00 -1.25 -2.30 120.51 127.13 3kc4 n ALA 49 Ca 0.00 -0.19 -0.16 0.00 0.00 0.00 0.00 53.44 53.09 3kc4 n ALA 49 Cb 0.08 0.00 -0.08 0.00 0.00 0.00 0.00 19.45 19.45 3kc4 n ALA 49 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 177.50 177.85 3kc4 h PHE 50 N 0.00 -0.67 -0.66 0.00 3.04 -1.44 -3.19 116.94 114.03 3kc4 h PHE 50 Ca 0.00 -0.01 0.04 0.00 3.98 0.00 0.00 57.97 61.98 3kc4 h PHE 50 Cb 0.00 0.24 -0.04 0.00 2.56 0.00 0.00 35.95 38.71 3kc4 h PHE 50 CO 0.00 -0.40 0.43 -0.91 -2.02 0.00 0.00 178.31 175.42 3kc4 h ASN 51 N -0.64 0.67 0.59 0.41 -0.26 -1.58 0.11 115.58 114.87 3kc4 h ASN 51 Ca -0.05 -0.01 0.00 0.00 -0.56 0.00 0.00 56.30 55.69 3kc4 h ASN 51 Cb 0.53 -0.15 0.00 0.00 -1.06 0.00 0.00 38.32 37.63 3kc4 h ASN 51 CO 0.05 0.46 0.00 -0.33 -1.06 0.00 0.00 177.43 176.55 3kc4 h GLU 52 N 0.77 0.00 -0.01 0.81 5.08 -1.53 -2.18 114.58 117.53 3kc4 h GLU 52 Ca 0.26 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.62 3kc4 h GLU 52 Cb 0.09 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.34 3kc4 h GLU 52 CO -0.07 0.00 -0.28 0.00 -1.00 0.00 0.00 179.01 177.65 3kc4 n MET 53 N -2.53 2.34 -0.00 2.33 0.00 -0.08 -4.64 117.12 114.53 3kc4 n MET 53 Ca 0.01 -0.50 -0.12 0.00 0.00 0.00 0.00 57.70 57.08 3kc4 n MET 53 Cb 0.19 -1.09 -0.07 0.00 0.00 0.00 0.00 33.22 32.26 3kc4 n MET 53 CO 0.00 0.00 0.00 0.37 0.00 0.00 0.00 175.97 176.34 3kc4 h GLN 54 N 0.97 0.08 -0.08 3.17 4.15 -0.19 -1.62 115.11 121.59 3kc4 h GLN 54 Ca 0.00 -0.02 -0.20 0.00 0.77 0.00 0.00 58.65 59.20 3kc4 h GLN 54 Cb 0.35 -0.01 0.00 0.00 0.21 0.00 0.00 27.48 28.03 3kc4 h GLN 54 CO 0.00 0.26 -0.79 -1.35 -1.93 0.00 0.00 178.83 175.02 3kc4 h PRO 55 N -0.11 0.51 -0.05 -2.39 0.11 -1.83 -3.13 132.00 125.11 3kc4 h PRO 55 Ca 0.02 -0.44 0.01 0.00 0.11 0.00 0.00 66.00 65.69 3kc4 h PRO 55 Cb 0.21 0.10 -0.01 0.00 0.11 0.00 0.00 31.00 31.41 3kc4 h PRO 55 CO -0.00 1.08 -0.05 0.82 -0.21 0.00 0.00 178.00 179.64 3kc4 h ILE 56 N 0.34 0.00 -0.80 4.15 2.04 -1.80 -1.43 117.51 120.01 3kc4 h ILE 56 Ca -0.05 0.00 0.11 0.00 1.00 0.00 0.00 64.86 65.92 3kc4 h ILE 56 Cb 1.39 0.00 -0.06 0.00 -0.74 0.00 0.00 36.82 37.42 3kc4 h ILE 56 CO 0.14 0.00 0.52 -0.37 0.00 0.00 0.00 178.15 178.45 3kc4 h VAL 57 N -0.02 0.91 -0.54 1.67 -1.51 -1.30 0.29 116.25 115.74 3kc4 h VAL 57 Ca 0.01 -0.24 -0.03 0.00 -1.23 0.00 0.00 66.70 65.21 3kc4 h VAL 57 Cb 0.05 0.17 -0.02 0.00 -2.13 0.00 0.00 31.29 29.35 3kc4 h VAL 57 CO -0.06 0.13 0.21 0.44 -1.23 0.00 0.00 177.57 177.06 3kc4 h ASP 58 N 0.69 0.75 1.76 4.19 5.19 -1.50 -1.79 116.42 125.71 3kc4 h ASP 58 Ca 0.38 -0.17 0.00 0.00 -0.62 0.00 0.00 57.03 56.62 3kc4 h ASP 58 Cb 0.53 -0.20 0.00 0.00 0.18 0.00 0.00 39.33 39.85 3kc4 h ASP 58 CO -0.15 0.72 0.00 -0.09 -3.12 0.00 0.00 179.24 176.60 3kc4 h ARG 59 N 0.74 0.00 0.00 3.56 2.43 -0.04 -1.36 114.38 119.70 3kc4 h ARG 59 Ca 0.18 0.00 -0.06 0.00 -0.81 0.00 0.00 59.98 59.29 3kc4 h ARG 59 Cb 0.20 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 29.74 3kc4 h ARG 59 CO -0.01 0.00 -0.93 1.96 -1.51 0.00 0.00 179.97 179.48 3kc4 h GLN 60 N 0.00 0.00 -0.26 0.20 4.20 -0.28 -1.09 115.11 117.88 3kc4 h GLN 60 Ca 0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 3kc4 h GLN 60 Cb 0.88 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.66 3kc4 h GLN 60 CO 0.00 0.15 0.00 0.00 -0.67 0.00 0.00 178.83 178.31 3kc4 n ALA 61 N -2.24 2.44 -0.13 3.87 0.00 -0.69 -0.41 120.51 123.35 3kc4 n ALA 61 Ca -0.02 -0.87 0.00 0.00 0.00 0.00 0.00 53.44 52.54 3kc4 n ALA 61 Cb 0.66 -0.87 0.00 0.00 0.00 0.00 0.00 19.45 19.24 3kc4 n ALA 61 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3kc4 n ALA 62 N 1.40 1.71 0.03 0.00 0.00 -0.53 -4.25 120.51 118.88 3kc4 n ALA 62 Ca 0.18 -0.20 0.03 0.00 0.00 0.00 0.00 53.44 53.45 3kc4 n ALA 62 Cb 0.60 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 20.00 3kc4 n ALA 62 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 3kc4 n LYS 63 N -0.36 0.81 -1.30 0.00 5.02 -0.43 -5.00 118.16 116.90 3kc4 n LYS 63 Ca 0.00 -0.05 0.00 0.00 -2.02 0.00 0.00 58.31 56.24 3kc4 n LYS 63 Cb 0.03 -1.10 0.00 0.00 -0.02 0.00 0.00 35.03 33.94 3kc4 n LYS 63 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3kc4 n GLY 64 N 2.01 1.02 0.15 0.72 0.00 -1.13 -4.98 105.19 102.98 3kc4 n GLY 64 Ca -0.01 -0.44 0.12 0.00 0.00 0.00 0.00 46.02 45.69 3kc4 n GLY 64 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 3kc4 h LEU 65 N 0.00 0.00 0.00 0.99 3.38 -0.89 -3.37 115.31 115.42 3kc4 h LEU 65 Ca 0.00 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.95 3kc4 h LEU 65 Cb 0.57 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.32 3kc4 h LEU 65 CO 0.00 0.01 0.00 -0.38 0.09 0.00 0.00 178.44 178.16 3kc4 n ILE 66 N -2.62 0.00 -3.91 1.22 2.08 -0.78 -5.01 119.36 110.34 3kc4 n ILE 66 Ca 0.04 0.00 0.00 0.00 0.56 0.00 0.00 62.75 63.35 3kc4 n ILE 66 Cb 0.48 0.00 0.00 0.00 -0.75 0.00 0.00 39.64 39.37 3kc4 n ILE 66 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 3kc4 n HIS 67 N -0.23 -1.41 -0.28 1.39 1.44 0.45 -4.78 115.22 111.81 3kc4 n HIS 67 Ca 0.00 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.71 3kc4 n HIS 67 Cb 0.00 0.21 0.00 0.00 0.12 0.00 0.00 29.99 30.32 3kc4 n HIS 67 CO 0.00 0.00 0.00 1.63 -2.81 0.00 0.00 176.34 175.16 3kc4 n LYS 68 N -0.98 0.00 0.15 -1.40 5.02 -1.26 -2.50 118.16 117.20 3kc4 n LYS 68 Ca 0.00 0.00 0.13 0.00 -2.02 0.00 0.00 58.31 56.42 3kc4 n LYS 68 Cb 0.00 0.00 0.53 0.00 -0.02 0.00 0.00 35.03 35.54 3kc4 n LYS 68 CO 0.00 0.00 0.00 -0.91 -0.52 0.00 0.00 177.40 175.97 3kc4 h ASN 69 N 0.00 0.00 -0.30 4.39 4.21 -1.95 -3.14 115.58 118.80 3kc4 h ASN 69 Ca 0.00 0.00 -0.03 0.00 1.21 0.00 0.00 56.30 57.48 3kc4 h ASN 69 Cb 0.00 0.00 -0.01 0.00 -1.12 0.00 0.00 38.32 37.19 3kc4 h ASN 69 CO 0.00 0.00 0.07 0.50 -1.29 0.00 0.00 177.43 176.71 3kc4 h LYS 70 N 0.00 0.48 -0.90 0.81 3.64 -1.94 -0.30 116.57 118.36 3kc4 h LYS 70 Ca 0.00 -0.12 -0.22 0.00 -1.27 0.00 0.00 60.65 59.04 3kc4 h LYS 70 Cb 0.39 -0.06 -0.13 0.00 -0.41 0.00 0.00 32.23 32.01 3kc4 h LYS 70 CO 0.00 0.55 0.28 0.00 -2.27 0.00 0.00 179.45 178.02 3kc4 n ALA 71 N -2.31 4.15 -2.06 5.00 0.00 -1.04 -1.62 120.51 122.63 3kc4 n ALA 71 Ca -0.02 -1.68 0.00 0.00 0.00 0.00 0.00 53.44 51.74 3kc4 n ALA 71 Cb 0.19 -1.22 0.00 0.00 0.00 0.00 0.00 19.45 18.42 3kc4 n ALA 71 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3kc4 n ALA 72 N -0.24 2.09 0.00 0.00 0.00 -0.92 -4.66 120.51 116.78 3kc4 n ALA 72 Ca 0.32 -0.99 0.00 0.00 0.00 0.00 0.00 53.44 52.77 3kc4 n ALA 72 Cb 1.14 -0.45 0.00 0.00 0.00 0.00 0.00 19.45 20.14 3kc4 n ALA 72 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 3kc4 n ARG 73 N 0.06 2.54 0.14 0.00 0.63 -0.17 -3.52 116.66 116.35 3kc4 n ARG 73 Ca -0.00 0.00 -0.00 0.00 -0.92 0.00 0.00 57.85 56.93 3kc4 n ARG 73 Cb 0.72 -0.66 0.25 0.00 0.45 0.00 0.00 32.46 33.22 3kc4 n ARG 73 CO 0.00 0.00 0.00 0.45 -2.51 0.00 0.00 177.63 175.57 3kc4 h HIS 74 N 0.00 0.08 -0.17 -0.14 3.86 -1.65 -0.76 115.15 116.36 3kc4 h HIS 74 Ca 0.00 -0.02 -0.15 0.00 -1.16 0.00 0.00 60.37 59.04 3kc4 h HIS 74 Cb 0.18 -0.02 0.00 0.00 1.06 0.00 0.00 27.41 28.63 3kc4 h HIS 74 CO 0.00 0.53 -0.47 -0.22 0.86 0.00 0.00 177.93 178.63 3kc4 h LYS 75 N 0.05 0.63 0.17 2.45 3.64 -1.78 -0.09 116.57 121.64 3kc4 h LYS 75 Ca -0.00 -0.44 -0.01 0.00 -1.27 0.00 0.00 60.65 58.93 3kc4 h LYS 75 Cb 0.87 0.07 0.00 0.00 -0.41 0.00 0.00 32.23 32.76 3kc4 h LYS 75 CO 0.07 1.06 -0.08 0.00 -2.27 0.00 0.00 179.45 178.23 3kc4 h ALA 76 N 0.57 -0.23 -0.37 5.00 0.00 -1.60 -1.68 119.26 120.95 3kc4 h ALA 76 Ca -0.01 -0.05 -0.14 0.00 0.00 0.00 0.00 54.91 54.70 3kc4 h ALA 76 Cb 1.09 0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.96 3kc4 h ALA 76 CO 0.10 -0.63 -0.34 -0.91 0.00 0.00 0.00 179.25 177.48 3kc4 h ASN 77 N -0.23 0.93 0.06 0.00 -0.26 -0.89 -1.60 115.58 113.58 3kc4 h ASN 77 Ca -0.02 -0.46 -0.00 0.00 -0.56 0.00 0.00 56.30 55.25 3kc4 h ASN 77 Cb 0.18 -0.26 0.00 0.00 -1.06 0.00 0.00 38.32 37.18 3kc4 h ASN 77 CO 0.04 1.20 -0.03 0.25 -1.06 0.00 0.00 177.43 177.82 3kc4 h LEU 78 N 0.68 -0.07 -0.32 1.61 5.85 -1.08 -1.92 115.31 120.05 3kc4 h LEU 78 Ca 0.06 -0.49 0.02 0.00 0.84 0.00 0.00 57.88 58.31 3kc4 h LEU 78 Cb 0.92 0.02 -0.03 0.00 0.37 0.00 0.00 40.66 41.94 3kc4 h LEU 78 CO 0.08 0.48 0.16 0.74 -0.34 0.00 0.00 178.44 179.57 3kc4 h THR 79 N -0.67 0.99 -0.56 1.05 2.02 -1.22 0.09 112.91 114.62 3kc4 h THR 79 Ca -0.01 -0.11 0.07 0.00 0.77 0.00 0.00 66.41 67.13 3kc4 h THR 79 Cb 0.56 0.63 -0.06 0.00 -1.74 0.00 0.00 68.15 67.54 3kc4 h THR 79 CO 0.01 0.06 0.23 0.00 0.37 0.00 0.00 175.52 176.19 3kc4 h ALA 80 N 1.16 0.71 0.50 6.16 0.00 -1.33 -1.85 119.26 124.61 3kc4 h ALA 80 Ca 0.13 0.06 -0.02 0.00 0.00 0.00 0.00 54.91 55.09 3kc4 h ALA 80 Cb 0.05 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 17.82 3kc4 h ALA 80 CO -0.09 -0.16 -0.47 0.37 0.00 0.00 0.00 179.25 178.90 3kc4 h GLN 81 N 0.43 -0.93 0.00 0.00 4.15 -0.47 -2.88 115.11 115.40 3kc4 h GLN 81 Ca 0.27 0.06 -0.02 0.00 0.77 0.00 0.00 58.65 59.73 3kc4 h GLN 81 Cb 0.27 0.21 -0.00 0.00 0.21 0.00 0.00 27.48 28.17 3kc4 h GLN 81 CO -0.24 -0.62 -0.08 -0.84 -1.93 0.00 0.00 178.83 175.12 3kc4 h ILE 82 N -0.97 0.32 -0.54 2.39 3.07 -0.70 -2.93 117.51 118.14 3kc4 h ILE 82 Ca -0.06 -0.49 -0.08 0.00 1.55 0.00 0.00 64.86 65.78 3kc4 h ILE 82 Cb 0.83 1.36 -0.02 0.00 -0.27 0.00 0.00 36.82 38.73 3kc4 h ILE 82 CO -0.04 0.08 0.03 0.78 -1.05 0.00 0.00 178.15 177.94 3kc4 h ASN 83 N 0.00 0.92 0.38 2.16 -0.26 -1.11 -0.53 115.58 117.13 3kc4 h ASN 83 Ca -0.00 -0.29 0.00 0.00 -0.56 0.00 0.00 56.30 55.45 3kc4 h ASN 83 Cb 0.36 -0.25 0.00 0.00 -1.06 0.00 0.00 38.32 37.37 3kc4 h ASN 83 CO 0.01 0.99 -0.58 2.29 -1.06 0.00 0.00 177.43 179.08 3kc4 n LYS 84 N -4.29 0.08 -0.05 0.81 2.85 -1.15 -3.08 118.16 113.32 3kc4 n LYS 84 Ca 0.02 -0.05 0.12 0.00 -1.05 0.00 0.00 58.31 57.35 3kc4 n LYS 84 Cb 0.31 -1.50 0.23 0.00 -0.65 0.00 0.00 35.03 33.42 3kc4 n LYS 84 CO 0.00 0.00 0.00 1.28 -0.05 0.00 0.00 177.40 178.63 3kc4 n LEU 85 N -1.41 2.71 -0.38 -5.58 4.77 -0.85 -5.15 117.00 111.11 3kc4 n LEU 85 Ca 0.06 -1.00 0.14 0.00 -0.03 0.00 0.00 56.01 55.18 3kc4 n LEU 85 Cb 0.34 -0.07 0.61 0.00 -2.33 0.00 0.00 43.42 41.97 3kc4 n LEU 85 CO 0.36 0.50 0.92 0.00 -1.33 0.00 0.00 177.39 177.84