#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kc4 s LYS 2 N 0.00 0.58 0.27 0.00 2.20 -1.26 -5.01 119.74 116.53 3kc4 s LYS 2 Ca 0.00 -0.21 -0.01 0.00 -0.36 0.00 0.00 55.97 55.39 3kc4 s LYS 2 Cb 0.00 -0.28 0.61 0.00 -1.51 0.00 0.00 37.83 36.65 3kc4 s LYS 2 CO 0.00 -1.12 1.63 0.37 -0.36 0.00 0.00 175.35 175.87 3kc4 h GLN 3 N 7.57 0.14 0.10 4.03 5.75 -2.04 -2.99 115.11 127.67 3kc4 h GLN 3 Ca -0.01 -0.01 0.00 0.00 -0.15 0.00 0.00 58.65 58.48 3kc4 h GLN 3 Cb 1.12 -0.03 -0.01 0.00 1.07 0.00 0.00 27.48 29.63 3kc4 h GLN 3 CO 0.20 0.09 -0.09 1.03 -2.65 0.00 0.00 178.83 177.41 3kc4 h SER 4 N 0.15 -0.23 -0.75 -0.69 0.87 -2.03 -2.27 113.55 108.60 3kc4 h SER 4 Ca 0.50 0.02 0.15 0.00 -1.23 0.00 0.00 61.79 61.23 3kc4 h SER 4 Cb 0.98 0.08 -0.10 0.00 -0.44 0.00 0.00 62.40 62.92 3kc4 h SER 4 CO -0.69 -0.14 0.27 0.24 -0.53 0.00 0.00 176.83 175.98 3kc4 h MET 5 N -0.20 0.39 -0.40 2.24 2.86 -1.96 -3.14 114.93 114.72 3kc4 h MET 5 Ca 0.00 -0.02 0.08 0.00 -2.06 0.00 0.00 59.70 57.70 3kc4 h MET 5 Cb 0.19 -0.09 -0.09 0.00 0.06 0.00 0.00 31.60 31.67 3kc4 h MET 5 CO -0.02 0.26 -0.22 0.87 1.06 0.00 0.00 176.91 178.86 3kc4 h LYS 6 N 0.40 -0.14 -0.61 1.72 1.79 -1.31 -3.22 116.57 115.19 3kc4 h LYS 6 Ca 0.41 0.01 0.12 0.00 -2.18 0.00 0.00 60.65 59.01 3kc4 h LYS 6 Cb 0.65 0.03 -0.12 0.00 -1.58 0.00 0.00 32.23 31.21 3kc4 h LYS 6 CO -0.42 -0.09 -0.23 0.00 -1.08 0.00 0.00 179.45 177.62 3kc4 h ALA 7 N 1.09 0.23 -0.93 3.86 0.00 -1.52 -3.26 119.26 118.73 3kc4 h ALA 7 Ca 0.19 0.21 0.15 0.00 0.00 0.00 0.00 54.91 55.47 3kc4 h ALA 7 Cb 0.45 0.61 -0.15 0.00 0.00 0.00 0.00 17.79 18.69 3kc4 h ALA 7 CO -0.49 -0.53 -0.34 0.54 0.00 0.00 0.00 179.25 178.44 3kc4 n ARG 8 N -5.44 -0.19 -0.05 0.00 1.74 -1.22 -2.80 116.66 108.70 3kc4 n ARG 8 Ca 0.06 1.43 -0.10 0.00 -0.77 0.00 0.00 57.85 58.48 3kc4 n ARG 8 Cb 0.35 -2.12 0.06 0.00 -1.02 0.00 0.00 32.46 29.72 3kc4 n ARG 8 CO 0.00 0.00 0.00 1.49 -1.52 0.00 0.00 177.63 177.60 3kc4 h GLU 9 N 0.00 0.71 0.02 5.56 4.57 -1.80 -3.28 114.58 120.36 3kc4 h GLU 9 Ca 0.35 -0.37 0.02 0.00 -1.18 0.00 0.00 59.36 58.17 3kc4 h GLU 9 Cb 0.58 0.01 -0.02 0.00 -0.16 0.00 0.00 28.75 29.15 3kc4 h GLU 9 CO -0.93 0.98 -0.11 0.28 -1.18 0.00 0.00 179.01 178.06 3kc4 h VAL 10 N 0.59 0.73 0.00 0.32 2.07 -1.73 -1.28 116.25 116.94 3kc4 h VAL 10 Ca 0.05 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.55 3kc4 h VAL 10 Cb 0.93 0.73 -0.00 0.00 -1.52 0.00 0.00 31.29 31.43 3kc4 h VAL 10 CO 0.08 0.00 -0.09 0.11 0.02 0.00 0.00 177.57 177.70 3kc4 h LYS 11 N -0.20 0.00 0.00 1.57 1.57 -1.69 -1.16 116.57 116.66 3kc4 h LYS 11 Ca 0.03 0.00 -0.06 0.00 -1.87 0.00 0.00 60.65 58.75 3kc4 h LYS 11 Cb 0.24 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.54 3kc4 h LYS 11 CO -0.10 0.09 -0.29 0.00 -0.57 0.00 0.00 179.45 178.58 3kc4 h ARG 12 N 0.00 0.00 0.00 3.15 3.08 -1.31 -2.45 114.38 116.85 3kc4 h ARG 12 Ca -0.00 0.00 -0.22 0.00 0.07 0.00 0.00 59.98 59.83 3kc4 h ARG 12 Cb 0.17 0.00 -0.04 0.00 0.08 0.00 0.00 29.97 30.19 3kc4 h ARG 12 CO 0.01 0.29 -1.35 0.28 -1.07 0.00 0.00 179.97 178.13 3kc4 h VAL 13 N 0.00 0.88 0.50 2.04 2.07 -1.14 -2.73 116.25 117.87 3kc4 h VAL 13 Ca -0.00 -2.54 -0.02 0.00 0.82 0.00 0.00 66.70 64.95 3kc4 h VAL 13 Cb 0.56 2.36 0.00 0.00 -1.52 0.00 0.00 31.29 32.70 3kc4 h VAL 13 CO 0.04 0.50 -0.24 0.00 0.02 0.00 0.00 177.57 177.89 3kc4 h ALA 14 N 1.19 -0.67 0.00 1.67 0.00 -1.23 -3.14 119.26 117.07 3kc4 h ALA 14 Ca -0.17 -0.18 -0.07 0.00 0.00 0.00 0.00 54.91 54.49 3kc4 h ALA 14 Cb 1.76 0.26 -0.01 0.00 0.00 0.00 0.00 17.79 19.80 3kc4 h ALA 14 CO 0.08 -0.79 -0.32 1.25 0.00 0.00 0.00 179.25 179.46 3kc4 h LEU 15 N -0.85 0.00 -1.93 0.00 5.85 -1.53 -2.03 115.31 114.82 3kc4 h LEU 15 Ca -0.07 0.00 0.40 0.00 0.84 0.00 0.00 57.88 59.05 3kc4 h LEU 15 Cb 0.59 0.00 -0.06 0.00 0.37 0.00 0.00 40.66 41.55 3kc4 h LEU 15 CO 0.11 0.32 0.99 0.00 -0.34 0.00 0.00 178.44 179.52 3kc4 h ALA 16 N 1.68 3.24 0.00 1.25 0.00 -1.43 -1.61 119.26 122.39 3kc4 h ALA 16 Ca -0.00 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.87 3kc4 h ALA 16 Cb 0.73 0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.63 3kc4 h ALA 16 CO 0.04 -1.66 -0.20 -0.25 0.00 0.00 0.00 179.25 177.18 3kc4 n ASP 17 N -4.17 0.00 -0.06 0.00 9.92 -1.22 -3.59 116.55 117.42 3kc4 n ASP 17 Ca 0.31 -1.40 -0.13 0.00 -0.53 0.00 0.00 54.79 53.03 3kc4 n ASP 17 Cb 1.43 -0.08 -0.07 0.00 -0.64 0.00 0.00 41.12 41.76 3kc4 n ASP 17 CO 0.00 0.00 0.00 0.50 0.13 0.00 0.00 177.20 177.83 3kc4 h LYS 18 N 0.00 0.38 0.00 -1.24 3.64 -0.58 -3.38 116.57 115.39 3kc4 h LYS 18 Ca 0.00 -0.20 0.00 0.00 -1.27 0.00 0.00 60.65 59.18 3kc4 h LYS 18 Cb 1.16 0.01 0.00 0.00 -0.41 0.00 0.00 32.23 32.99 3kc4 h LYS 18 CO 0.00 0.76 0.00 0.98 -2.27 0.00 0.00 179.45 178.92 3kc4 n TYR 19 N -4.53 0.00 0.01 1.91 9.36 -1.18 -4.66 117.16 118.06 3kc4 n TYR 19 Ca -0.06 0.00 0.04 0.00 3.32 0.00 0.00 57.90 61.20 3kc4 n TYR 19 Cb 0.37 0.01 0.22 0.00 -0.63 0.00 0.00 39.34 39.31 3kc4 n TYR 19 CO 0.00 0.00 0.00 0.34 0.22 0.00 0.00 176.86 177.42 3kc4 n PHE 20 N 0.00 1.11 0.21 2.98 7.35 -0.68 -4.28 117.46 124.15 3kc4 n PHE 20 Ca 0.00 -0.39 -0.09 0.00 -0.76 0.00 0.00 57.45 56.21 3kc4 n PHE 20 Cb 0.06 -0.31 -0.04 0.00 0.35 0.00 0.00 39.48 39.54 3kc4 n PHE 20 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 3kc4 h ALA 21 N 3.14 -0.70 -0.31 3.13 0.00 -1.74 -0.54 119.26 122.24 3kc4 h ALA 21 Ca 0.00 -0.13 -0.07 0.00 0.00 0.00 0.00 54.91 54.72 3kc4 h ALA 21 Cb 1.27 0.23 -0.01 0.00 0.00 0.00 0.00 17.79 19.27 3kc4 h ALA 21 CO 0.25 -0.66 -0.06 0.87 0.00 0.00 0.00 179.25 179.66 3kc4 h LYS 22 N -0.96 0.59 0.00 0.00 1.57 -1.92 -0.74 116.57 115.12 3kc4 h LYS 22 Ca -0.06 -0.22 0.00 0.00 -1.87 0.00 0.00 60.65 58.50 3kc4 h LYS 22 Cb 0.45 -0.04 0.00 0.00 0.08 0.00 0.00 32.23 32.72 3kc4 h LYS 22 CO 0.10 0.77 0.00 0.54 -0.57 0.00 0.00 179.45 180.29 3kc4 n ARG 23 N -4.48 0.07 -0.10 3.15 1.74 -1.26 -1.50 116.66 114.29 3kc4 n ARG 23 Ca -0.03 0.13 -0.15 0.00 -0.77 0.00 0.00 57.85 57.04 3kc4 n ARG 23 Cb 0.31 -1.50 -0.06 0.00 -1.02 0.00 0.00 32.46 30.19 3kc4 n ARG 23 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3kc4 n ALA 24 N -1.15 0.74 0.83 7.54 0.00 -0.21 -4.66 120.51 123.60 3kc4 n ALA 24 Ca 0.02 -0.61 0.12 0.00 0.00 0.00 0.00 53.44 52.97 3kc4 n ALA 24 Cb 0.02 -0.16 0.52 0.00 0.00 0.00 0.00 19.45 19.82 3kc4 n ALA 24 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 3kc4 n GLU 25 N -4.48 0.01 0.21 0.00 -0.58 -0.56 -1.65 120.64 113.60 3kc4 n GLU 25 Ca -0.24 0.09 0.15 0.00 -0.42 0.00 0.00 57.16 56.74 3kc4 n GLU 25 Cb 0.54 -1.51 0.65 0.00 -0.57 0.00 0.00 31.44 30.55 3kc4 n GLU 25 CO 0.00 0.00 0.00 -0.07 -0.48 0.00 0.00 177.13 176.58 3kc4 h LEU 26 N 0.00 0.00 -9.20 -4.62 3.38 -1.59 -3.43 115.31 99.84 3kc4 h LEU 26 Ca 0.00 0.00 -0.56 0.00 0.09 0.00 0.00 57.88 57.41 3kc4 h LEU 26 Cb 0.43 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.13 3kc4 h LEU 26 CO 0.00 0.00 0.69 -0.75 0.09 0.00 0.00 178.44 178.47 3kc4 s LYS 27 N -3.56 4.34 0.00 1.13 2.47 -0.66 -4.70 119.74 118.76 3kc4 s LYS 27 Ca 0.01 1.46 0.00 0.00 -1.56 0.00 0.00 55.97 55.88 3kc4 s LYS 27 Cb 0.09 -3.60 0.00 0.00 -1.46 0.00 0.00 37.83 32.87 3kc4 s LYS 27 CO 0.44 -0.47 0.00 0.00 0.16 0.00 0.00 175.35 175.48 3kc4 n ALA 28 N 5.59 0.00 -0.05 3.13 0.00 -1.26 -5.02 120.51 122.90 3kc4 n ALA 28 Ca 0.11 0.00 -0.05 0.00 0.00 0.00 0.00 53.44 53.50 3kc4 n ALA 28 Cb 0.47 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.90 3kc4 n ALA 28 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.50 176.61 3kc4 n ILE 29 N 0.00 0.91 -1.34 0.00 5.41 -1.26 -4.63 119.36 118.45 3kc4 n ILE 29 Ca 0.00 0.27 -0.40 0.00 1.00 0.00 0.00 62.75 63.63 3kc4 n ILE 29 Cb 0.00 -1.95 -0.06 0.00 -0.71 0.00 0.00 39.64 36.92 3kc4 n ILE 29 CO 0.00 0.00 0.00 2.30 0.00 0.00 0.00 176.55 178.85 3kc4 n ILE 30 N -3.65 1.72 0.00 1.39 -5.35 -1.26 -1.90 119.36 110.31 3kc4 n ILE 30 Ca -0.08 -1.58 0.00 0.00 -0.27 0.00 0.00 62.75 60.82 3kc4 n ILE 30 Cb 0.28 -2.26 0.00 0.00 -1.74 0.00 0.00 39.64 35.92 3kc4 n ILE 30 CO 0.00 0.00 0.00 -1.54 -1.76 0.00 0.00 176.55 173.25 3kc4 n SER 31 N 9.37 0.00 -0.33 7.28 3.41 -1.22 -4.94 113.62 127.18 3kc4 n SER 31 Ca 0.48 0.00 -0.04 0.00 -0.26 0.00 0.00 58.87 59.05 3kc4 n SER 31 Cb 0.42 0.00 0.09 0.00 -0.26 0.00 0.00 64.21 64.46 3kc4 n SER 31 CO 0.00 0.00 0.00 0.44 -0.16 0.00 0.00 175.04 175.32 3kc4 h ASP 32 N 0.00 1.11 -0.25 4.04 3.32 -1.84 -3.19 116.42 119.62 3kc4 h ASP 32 Ca 0.00 -0.09 0.01 0.00 0.02 0.00 0.00 57.03 56.97 3kc4 h ASP 32 Cb 0.00 -0.28 -0.02 0.00 0.22 0.00 0.00 39.33 39.25 3kc4 h ASP 32 CO 0.00 0.88 0.13 0.58 -1.72 0.00 0.00 179.24 179.11 3kc4 h VAL 33 N 1.25 1.00 -3.32 -1.35 2.07 -1.89 -3.10 116.25 110.91 3kc4 h VAL 33 Ca 0.32 -0.09 -0.54 0.00 0.82 0.00 0.00 66.70 67.20 3kc4 h VAL 33 Cb -0.00 0.71 -0.38 0.00 -1.52 0.00 0.00 31.29 30.10 3kc4 h VAL 33 CO -0.05 0.05 -0.79 0.20 0.02 0.00 0.00 177.57 177.00 3kc4 s ASN 34 N -5.37 2.76 0.00 0.57 0.01 -0.80 -4.78 114.94 107.34 3kc4 s ASN 34 Ca -0.13 -0.64 0.00 0.00 -0.71 0.00 0.00 52.86 51.38 3kc4 s ASN 34 Cb 0.09 -0.85 0.00 0.00 0.41 0.00 0.00 41.25 40.90 3kc4 s ASN 34 CO 0.70 -0.20 0.00 0.00 -1.51 0.00 0.00 177.10 176.09 3kc4 n ALA 35 N 4.91 0.00 0.00 0.60 0.00 -1.25 -3.43 120.51 121.34 3kc4 n ALA 35 Ca -0.11 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.33 3kc4 n ALA 35 Cb 0.48 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.93 3kc4 n ALA 35 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 3kc4 n SER 36 N 0.00 0.00 -0.00 0.00 2.88 -1.17 -4.96 113.62 110.36 3kc4 n SER 36 Ca 0.00 0.00 0.06 0.00 -1.33 0.00 0.00 58.87 57.60 3kc4 n SER 36 Cb 0.00 0.46 -0.10 0.00 -0.75 0.00 0.00 64.21 63.82 3kc4 n SER 36 CO 0.00 0.00 0.00 -0.67 -1.23 0.00 0.00 175.04 173.14 3kc4 n ASP 37 N -1.42 1.77 -4.66 -3.46 2.03 -1.26 -4.85 116.55 104.70 3kc4 n ASP 37 Ca 0.00 -0.15 -0.36 0.00 0.52 0.00 0.00 54.79 54.80 3kc4 n ASP 37 Cb 0.00 1.48 0.08 0.00 -0.72 0.00 0.00 41.12 41.96 3kc4 n ASP 37 CO 0.00 0.00 0.00 -0.62 -1.92 0.00 0.00 177.20 174.66 3kc4 n GLU 38 N -1.83 0.73 -2.81 -0.67 1.02 -1.26 -2.64 120.64 113.19 3kc4 n GLU 38 Ca -0.01 0.31 -0.20 0.00 -0.02 0.00 0.00 57.16 57.23 3kc4 n GLU 38 Cb 0.31 -2.34 0.01 0.00 -0.02 0.00 0.00 31.44 29.40 3kc4 n GLU 38 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 3kc4 n ASP 39 N -1.80 -5.32 -0.03 1.62 9.92 -1.26 -4.56 116.55 115.12 3kc4 n ASP 39 Ca 0.14 -0.15 0.00 0.00 -0.53 0.00 0.00 54.79 54.25 3kc4 n ASP 39 Cb 0.49 -4.38 0.00 0.00 -0.64 0.00 0.00 41.12 36.59 3kc4 n ASP 39 CO 0.00 0.00 0.00 0.54 0.13 0.00 0.00 177.20 177.87 3kc4 n ARG 40 N -3.50 0.00 0.00 -1.24 1.74 -1.14 -5.04 116.66 107.48 3kc4 n ARG 40 Ca -0.14 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 56.94 3kc4 n ARG 40 Cb 0.63 -0.16 0.00 0.00 -1.02 0.00 0.00 32.46 31.91 3kc4 n ARG 40 CO 0.00 0.00 0.00 -2.67 -1.52 0.00 0.00 177.63 173.44 3kc4 n TRP 41 N -0.19 0.00 -1.29 -1.55 4.27 -1.08 -5.17 117.44 112.43 3kc4 n TRP 41 Ca 0.00 0.00 0.00 0.00 -3.89 0.00 0.00 57.50 53.61 3kc4 n TRP 41 Cb 0.03 0.00 0.00 0.00 -1.36 0.00 0.00 31.31 29.98 3kc4 n TRP 41 CO 0.00 0.00 0.00 -1.71 -2.29 0.00 0.00 177.69 173.69 3kc4 n ASN 42 N 0.00 -4.97 0.00 -0.67 5.15 -1.26 -4.97 115.26 108.55 3kc4 n ASN 42 Ca 0.00 0.64 -0.13 0.00 -0.60 0.00 0.00 54.58 54.49 3kc4 n ASN 42 Cb 0.00 -2.70 -0.01 0.00 -0.53 0.00 0.00 39.78 36.53 3kc4 n ASN 42 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 3kc4 h ALA 43 N 1.78 0.49 -0.11 5.20 0.00 -2.00 -3.41 119.26 121.21 3kc4 h ALA 43 Ca 0.00 -0.58 -0.01 0.00 0.00 0.00 0.00 54.91 54.32 3kc4 h ALA 43 Cb 0.00 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 17.74 3kc4 h ALA 43 CO 0.00 0.71 0.05 0.28 0.00 0.00 0.00 179.25 180.29 3kc4 h VAL 44 N 0.44 1.13 -0.50 0.00 2.07 -2.00 -2.41 116.25 114.99 3kc4 h VAL 44 Ca -0.03 -0.38 0.10 0.00 0.82 0.00 0.00 66.70 67.21 3kc4 h VAL 44 Cb 1.30 1.18 -0.09 0.00 -1.52 0.00 0.00 31.29 32.16 3kc4 h VAL 44 CO 0.14 0.12 -0.06 0.25 0.02 0.00 0.00 177.57 178.03 3kc4 h LEU 45 N 0.04 -0.34 -0.36 2.57 6.46 -1.97 0.05 115.31 121.77 3kc4 h LEU 45 Ca 0.04 0.13 -0.18 0.00 -0.12 0.00 0.00 57.88 57.75 3kc4 h LEU 45 Cb 0.14 0.26 -0.02 0.00 -0.73 0.00 0.00 40.66 40.31 3kc4 h LEU 45 CO -0.00 -0.12 -0.82 0.11 -0.62 0.00 0.00 178.44 176.98 3kc4 h LYS 46 N 0.05 0.10 -0.25 1.25 1.57 -1.73 0.16 116.57 117.72 3kc4 h LYS 46 Ca 0.25 -0.10 -0.09 0.00 -1.87 0.00 0.00 60.65 58.83 3kc4 h LYS 46 Cb 0.38 0.03 -0.00 0.00 0.08 0.00 0.00 32.23 32.71 3kc4 h LYS 46 CO -0.46 0.86 -0.21 1.25 -0.57 0.00 0.00 179.45 180.32 3kc4 h LEU 47 N 0.06 0.61 0.68 2.94 6.46 -1.28 -3.37 115.31 121.40 3kc4 h LEU 47 Ca -0.02 -0.46 -0.03 0.00 -0.12 0.00 0.00 57.88 57.25 3kc4 h LEU 47 Cb 1.44 -0.17 0.01 0.00 -0.73 0.00 0.00 40.66 41.20 3kc4 h LEU 47 CO 0.12 0.94 -0.33 -0.61 -0.62 0.00 0.00 178.44 177.94 3kc4 h GLN 48 N 0.29 -0.88 -4.85 1.25 4.15 -0.49 -3.41 115.11 111.18 3kc4 h GLN 48 Ca 0.04 0.06 -0.69 0.00 0.77 0.00 0.00 58.65 58.83 3kc4 h GLN 48 Cb 0.75 0.20 -0.19 0.00 0.21 0.00 0.00 27.48 28.46 3kc4 h GLN 48 CO 0.05 -0.57 0.40 0.99 -1.93 0.00 0.00 178.83 177.77 3kc4 s THR 49 N -5.87 4.77 0.26 2.39 2.01 0.50 -4.69 115.64 115.01 3kc4 s THR 49 Ca -0.17 -1.16 0.00 0.00 0.31 0.00 0.00 61.69 60.66 3kc4 s THR 49 Cb 0.03 -4.61 0.00 0.00 0.01 0.00 0.00 72.50 67.93 3kc4 s THR 49 CO 0.60 -1.29 0.00 -0.11 -0.69 0.00 0.00 174.62 173.13 3kc4 n LEU 50 N 6.44 -1.16 0.03 4.42 7.94 -1.26 -4.81 117.00 128.59 3kc4 n LEU 50 Ca 0.03 0.46 0.09 0.00 -1.11 0.00 0.00 56.01 55.48 3kc4 n LEU 50 Cb 0.45 1.24 0.39 0.00 0.53 0.00 0.00 43.42 46.04 3kc4 n LEU 50 CO 0.55 -0.43 0.79 -0.81 -1.11 0.00 0.00 177.39 176.38 3kc4 n PRO 51 N -3.19 0.05 0.00 1.96 -0.04 -1.26 -5.02 135.00 127.49 3kc4 n PRO 51 Ca 0.00 0.24 0.00 0.00 -0.04 0.00 0.00 63.50 63.70 3kc4 n PRO 51 Cb 0.00 -1.58 0.00 0.00 -0.04 0.00 0.00 33.50 31.88 3kc4 n PRO 51 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 3kc4 n ARG 52 N -1.66 0.00 -0.41 0.54 1.74 -1.26 -5.03 116.66 110.57 3kc4 n ARG 52 Ca 0.04 0.00 0.02 0.00 -0.77 0.00 0.00 57.85 57.14 3kc4 n ARG 52 Cb 0.22 0.00 -0.01 0.00 -1.02 0.00 0.00 32.46 31.64 3kc4 n ARG 52 CO 0.00 0.00 0.00 -0.25 -1.52 0.00 0.00 177.63 175.86 3kc4 n ASP 53 N -3.12 -2.23 -0.01 0.55 10.43 -1.26 -4.95 116.55 115.96 3kc4 n ASP 53 Ca 0.00 0.46 0.00 0.00 2.57 0.00 0.00 54.79 57.82 3kc4 n ASP 53 Cb 0.00 -1.01 0.00 0.00 1.84 0.00 0.00 41.12 41.95 3kc4 n ASP 53 CO 0.00 0.00 0.00 -1.20 -1.07 0.00 0.00 177.20 174.93 3kc4 n SER 54 N -2.22 -0.86 -4.88 -2.24 7.64 -1.26 -4.90 113.62 104.89 3kc4 n SER 54 Ca -0.01 0.00 -0.30 0.00 1.01 0.00 0.00 58.87 59.57 3kc4 n SER 54 Cb 0.16 -0.42 -0.03 0.00 -1.01 0.00 0.00 64.21 62.91 3kc4 n SER 54 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 3kc4 s SER 55 N -2.84 6.51 0.38 6.43 0.01 -1.26 -4.84 113.70 118.08 3kc4 s SER 55 Ca 0.00 0.99 0.27 0.00 1.31 0.00 0.00 55.95 58.52 3kc4 s SER 55 Cb 0.00 -2.26 1.28 0.00 0.21 0.00 0.00 66.02 65.25 3kc4 s SER 55 CO 0.00 -0.31 1.82 1.55 0.41 0.00 0.00 173.24 176.71 3kc4 h PRO 56 N 1.47 0.00 0.64 12.44 0.13 -1.97 0.04 132.00 144.74 3kc4 h PRO 56 Ca -0.47 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 64.63 3kc4 h PRO 56 Cb 1.19 0.00 0.01 0.00 0.13 0.00 0.00 31.00 32.32 3kc4 h PRO 56 CO 0.65 0.00 -0.31 0.66 -0.23 0.00 0.00 178.00 178.77 3kc4 h SER 57 N 0.00 -0.72 0.20 1.44 4.64 -1.94 -3.34 113.55 113.83 3kc4 h SER 57 Ca 0.00 -0.02 0.00 0.00 -0.47 0.00 0.00 61.79 61.30 3kc4 h SER 57 Cb 0.23 0.19 0.00 0.00 -0.31 0.00 0.00 62.40 62.51 3kc4 h SER 57 CO 0.00 -0.40 0.00 0.54 -0.87 0.00 0.00 176.83 176.10 3kc4 n ARG 58 N -5.39 0.27 -4.03 4.77 1.74 -0.71 -3.30 116.66 110.01 3kc4 n ARG 58 Ca -0.12 0.11 -0.31 0.00 -0.77 0.00 0.00 57.85 56.76 3kc4 n ARG 58 Cb 0.36 -1.50 -0.15 0.00 -1.02 0.00 0.00 32.46 30.15 3kc4 n ARG 58 CO 0.00 0.00 0.00 -0.65 -1.52 0.00 0.00 177.63 175.46 3kc4 s GLN 59 N -2.42 1.62 0.14 5.56 -0.21 -0.08 -4.80 119.66 119.47 3kc4 s GLN 59 Ca 0.16 -1.76 -0.20 0.00 0.02 0.00 0.00 55.36 53.58 3kc4 s GLN 59 Cb 0.10 -3.13 0.00 0.00 1.00 0.00 0.00 33.01 30.98 3kc4 s GLN 59 CO 0.21 -0.86 1.69 -0.09 -2.12 0.00 0.00 175.29 174.11 3kc4 h ARG 60 N 7.65 -0.03 -1.37 2.91 9.65 -1.75 -3.41 114.38 128.03 3kc4 h ARG 60 Ca -0.07 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 58.81 3kc4 h ARG 60 Cb 1.02 0.01 0.00 0.00 -1.39 0.00 0.00 29.97 29.61 3kc4 h ARG 60 CO 0.51 -0.02 0.00 0.09 2.80 0.00 0.00 179.97 183.35 3kc4 n ASN 61 N -5.24 -1.29 -2.85 -3.80 3.02 -1.26 -4.89 115.26 98.95 3kc4 n ASN 61 Ca -0.01 0.00 -0.10 0.00 -0.03 0.00 0.00 54.58 54.43 3kc4 n ASN 61 Cb 0.16 -0.64 0.02 0.00 -0.61 0.00 0.00 39.78 38.70 3kc4 n ASN 61 CO 0.00 0.00 0.00 -2.11 -2.62 0.00 0.00 177.26 172.53 3kc4 n ARG 62 N 0.98 1.06 -0.64 3.52 1.85 -1.26 -4.94 116.66 117.23 3kc4 n ARG 62 Ca 0.00 -2.38 -0.22 0.00 -1.00 0.00 0.00 57.85 54.25 3kc4 n ARG 62 Cb 0.00 2.80 0.12 0.00 -1.05 0.00 0.00 32.46 34.33 3kc4 n ARG 62 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 3kc4 n ARG 64 N -0.93 0.00 0.00 0.00 1.85 -1.26 -4.03 116.66 112.29 3kc4 n ARG 64 Ca 0.03 -0.33 0.03 0.00 -1.00 0.00 0.00 57.85 56.58 3kc4 n ARG 64 Cb 0.43 -0.27 0.01 0.00 -1.05 0.00 0.00 32.46 31.58 3kc4 n ARG 64 CO 0.00 0.00 0.00 1.04 -0.01 0.00 0.00 177.63 178.66 3kc4 n GLN 65 N 0.00 0.89 0.00 2.89 1.13 -1.26 -4.66 117.38 116.37 3kc4 n GLN 65 Ca 0.00 -0.69 0.00 0.00 -1.94 0.00 0.00 57.00 54.37 3kc4 n GLN 65 Cb 0.52 -1.04 0.00 0.00 0.11 0.00 0.00 30.24 29.83 3kc4 n GLN 65 CO 0.00 0.00 0.00 2.41 -1.44 0.00 0.00 177.06 178.03 3kc4 n THR 66 N 0.05 0.00 -0.78 5.09 -1.04 -1.26 -4.87 114.28 111.47 3kc4 n THR 66 Ca 0.03 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.04 3kc4 n THR 66 Cb 0.14 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 68.65 3kc4 n THR 66 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 3kc4 n GLY 67 N 0.01 0.76 3.77 3.41 0.00 -1.26 -5.04 105.19 106.84 3kc4 n GLY 67 Ca 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.62 3kc4 n GLY 67 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 3kc4 s ARG 68 N -0.22 3.96 0.94 1.61 1.70 -1.26 -4.44 118.95 121.24 3kc4 s ARG 68 Ca 0.00 2.30 -0.12 0.00 -0.47 0.00 0.00 55.73 57.45 3kc4 s ARG 68 Cb 0.00 -2.80 0.15 0.00 -0.57 0.00 0.00 34.95 31.73 3kc4 s ARG 68 CO 0.00 -0.55 1.09 -1.25 -1.08 0.00 0.00 175.30 173.51 3kc4 s PRO 69 N -2.22 0.90 0.46 3.89 0.04 -1.26 -1.90 135.00 134.90 3kc4 s PRO 69 Ca 0.56 0.84 0.00 0.00 0.04 0.00 0.00 61.00 62.44 3kc4 s PRO 69 Cb -0.41 -1.77 0.00 0.00 0.04 0.00 0.00 34.50 32.36 3kc4 s PRO 69 CO 0.54 -2.49 0.00 -2.39 0.04 0.00 0.00 177.00 172.69 3kc4 n HIS 70 N -4.06 -3.48 -2.23 0.56 1.44 -1.26 -4.86 115.22 101.34 3kc4 n HIS 70 Ca 0.07 1.83 -0.20 0.00 -2.01 0.00 0.00 57.72 57.41 3kc4 n HIS 70 Cb 0.55 -3.16 -0.02 0.00 0.12 0.00 0.00 29.99 27.48 3kc4 n HIS 70 CO 0.00 0.00 0.00 0.41 -2.81 0.00 0.00 176.34 173.94 3kc4 n GLY 71 N -4.13 -0.02 3.88 -1.39 0.00 -1.26 -4.78 105.19 97.49 3kc4 n GLY 71 Ca -0.04 -0.06 -0.31 0.00 0.00 0.00 0.00 46.02 45.61 3kc4 n GLY 71 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 3kc4 s PHE 72 N -2.93 3.43 -0.44 1.61 5.36 -1.26 -3.66 117.98 120.09 3kc4 s PHE 72 Ca 0.00 0.89 0.02 0.00 -0.96 0.00 0.00 56.93 56.89 3kc4 s PHE 72 Cb 0.00 -2.29 0.13 0.00 -0.34 0.00 0.00 43.02 40.52 3kc4 s PHE 72 CO 0.00 0.18 0.23 -0.51 -1.46 0.00 0.00 175.22 173.66 3kc4 s LEU 73 N -3.10 2.99 0.27 6.12 1.43 -1.15 -4.92 118.68 120.33 3kc4 s LEU 73 Ca 0.48 -2.62 0.00 0.00 -1.03 0.00 0.00 54.13 50.97 3kc4 s LEU 73 Cb -0.11 -1.14 0.63 0.00 0.03 0.00 0.00 46.19 45.60 3kc4 s LEU 73 CO 0.23 -0.27 1.69 0.03 0.23 0.00 0.00 176.35 178.26 3kc4 h ARG 74 N 6.79 0.34 -1.06 1.70 3.08 -1.93 -0.20 114.38 123.09 3kc4 h ARG 74 Ca -0.03 -0.02 0.31 0.00 0.07 0.00 0.00 59.98 60.31 3kc4 h ARG 74 Cb 0.93 -0.08 -0.04 0.00 0.08 0.00 0.00 29.97 30.86 3kc4 h ARG 74 CO 0.52 0.22 0.86 0.87 -1.07 0.00 0.00 179.97 181.37 3kc4 h LYS 75 N 0.35 0.00 0.00 0.04 1.79 -1.94 -0.53 116.57 116.27 3kc4 h LYS 75 Ca 0.51 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.98 3kc4 h LYS 75 Cb 0.93 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.58 3kc4 h LYS 75 CO -0.53 0.00 0.00 1.19 -1.08 0.00 0.00 179.45 179.03 3kc4 n PHE 76 N -3.94 0.00 -2.68 -1.35 3.01 -0.92 -5.02 117.46 106.56 3kc4 n PHE 76 Ca 0.23 0.00 -0.19 0.00 1.01 0.00 0.00 57.45 58.50 3kc4 n PHE 76 Cb 1.21 0.00 0.02 0.00 -0.01 0.00 0.00 39.48 40.69 3kc4 n PHE 76 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 3kc4 n GLY 77 N 0.03 -0.35 2.88 1.37 0.00 -0.15 -5.02 105.19 103.95 3kc4 n GLY 77 Ca 0.00 -0.06 -0.12 0.00 0.00 0.00 0.00 46.02 45.84 3kc4 n GLY 77 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3kc4 s LEU 78 N -5.51 2.02 0.91 0.99 1.43 -0.83 -4.76 118.68 112.93 3kc4 s LEU 78 Ca 0.16 -0.03 -0.15 0.00 -1.03 0.00 0.00 54.13 53.07 3kc4 s LEU 78 Cb -0.07 -0.00 -0.06 0.00 0.03 0.00 0.00 46.19 46.09 3kc4 s LEU 78 CO 0.20 -0.02 -0.08 -1.54 0.23 0.00 0.00 176.35 175.14 3kc4 n SER 79 N 2.98 -3.60 0.00 2.29 3.41 -1.26 -2.93 113.62 114.50 3kc4 n SER 79 Ca -0.13 0.33 0.00 0.00 -0.26 0.00 0.00 58.87 58.81 3kc4 n SER 79 Cb 0.60 -1.01 0.00 0.00 -0.26 0.00 0.00 64.21 63.53 3kc4 n SER 79 CO 0.00 0.00 0.00 -1.14 -0.16 0.00 0.00 175.04 173.74 3kc4 n ARG 80 N 0.28 0.00 -0.32 4.33 0.63 -1.24 -3.87 116.66 116.47 3kc4 n ARG 80 Ca 0.04 0.00 0.19 0.00 -0.92 0.00 0.00 57.85 57.16 3kc4 n ARG 80 Cb 0.54 -0.20 0.38 0.00 0.45 0.00 0.00 32.46 33.63 3kc4 n ARG 80 CO 0.00 0.00 0.00 0.82 -2.51 0.00 0.00 177.63 175.94 3kc4 h ILE 81 N 0.00 0.28 0.00 5.15 2.04 -1.94 -3.34 117.51 119.69 3kc4 h ILE 81 Ca 0.00 -0.08 0.00 0.00 1.00 0.00 0.00 64.86 65.78 3kc4 h ILE 81 Cb 0.00 0.02 0.00 0.00 -0.74 0.00 0.00 36.82 36.10 3kc4 h ILE 81 CO 0.00 0.04 0.00 0.29 0.00 0.00 0.00 178.15 178.48 3kc4 n LYS 82 N -5.16 0.95 0.05 2.37 5.02 -1.25 -3.46 118.16 116.68 3kc4 n LYS 82 Ca 0.27 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.56 3kc4 n LYS 82 Cb 0.84 -1.02 0.00 0.00 -0.02 0.00 0.00 35.03 34.83 3kc4 n LYS 82 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 3kc4 n VAL 83 N 0.78 0.86 -0.12 -0.18 0.31 -1.26 -4.90 118.33 113.83 3kc4 n VAL 83 Ca 0.00 0.29 -0.13 0.00 -0.01 0.00 0.00 64.34 64.49 3kc4 n VAL 83 Cb 0.48 -1.42 -0.08 0.00 -0.91 0.00 0.00 33.84 31.90 3kc4 n VAL 83 CO 0.00 0.00 0.00 -0.09 -1.32 0.00 0.00 176.83 175.42 3kc4 h ARG 84 N 0.00 -0.39 -0.83 5.55 1.12 -1.83 -2.22 114.38 115.77 3kc4 h ARG 84 Ca 0.00 0.03 0.07 0.00 -1.11 0.00 0.00 59.98 58.97 3kc4 h ARG 84 Cb 0.16 0.09 -0.10 0.00 -0.01 0.00 0.00 29.97 30.11 3kc4 h ARG 84 CO 0.00 -0.26 -0.49 0.39 -3.11 0.00 0.00 179.97 176.50 3kc4 n GLU 85 N -5.40 -0.36 0.33 0.20 1.02 -1.26 -1.28 120.64 113.88 3kc4 n GLU 85 Ca -0.03 1.33 -0.17 0.00 -0.02 0.00 0.00 57.16 58.27 3kc4 n GLU 85 Cb 0.35 -1.96 -0.09 0.00 -0.02 0.00 0.00 31.44 29.73 3kc4 n GLU 85 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3kc4 h ALA 86 N 0.33 -0.79 -1.00 0.62 0.00 -1.84 -3.34 119.26 113.24 3kc4 h ALA 86 Ca 0.13 -0.17 0.22 0.00 0.00 0.00 0.00 54.91 55.09 3kc4 h ALA 86 Cb 0.34 0.30 -0.11 0.00 0.00 0.00 0.00 17.79 18.32 3kc4 h ALA 86 CO -0.78 -0.94 0.61 0.00 0.00 0.00 0.00 179.25 178.14 3kc4 h ALA 87 N -0.36 1.78 -0.42 0.00 0.00 -0.57 -1.29 119.26 118.39 3kc4 h ALA 87 Ca -0.08 0.09 -0.13 0.00 0.00 0.00 0.00 54.91 54.79 3kc4 h ALA 87 Cb 0.60 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.35 3kc4 h ALA 87 CO 0.13 -0.20 -0.25 0.52 0.00 0.00 0.00 179.25 179.45 3kc4 h MET 88 N 0.65 0.88 0.00 0.00 2.86 -1.57 -2.52 114.93 115.23 3kc4 h MET 88 Ca 0.60 -0.39 0.00 0.00 -2.06 0.00 0.00 59.70 57.86 3kc4 h MET 88 Cb 1.09 -0.03 0.00 0.00 0.06 0.00 0.00 31.60 32.72 3kc4 h MET 88 CO -0.41 1.03 0.00 0.54 1.06 0.00 0.00 176.91 179.14 3kc4 n ARG 89 N -4.10 0.12 -0.92 1.72 1.74 -0.52 -4.79 116.66 109.91 3kc4 n ARG 89 Ca -0.00 0.21 0.00 0.00 -0.77 0.00 0.00 57.85 57.28 3kc4 n ARG 89 Cb 0.47 -1.50 0.00 0.00 -1.02 0.00 0.00 32.46 30.41 3kc4 n ARG 89 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3kc4 n GLY 90 N -0.26 1.06 1.14 -0.13 0.00 -0.95 -4.92 105.19 101.12 3kc4 n GLY 90 Ca 0.05 -0.48 0.11 0.00 0.00 0.00 0.00 46.02 45.69 3kc4 n GLY 90 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3kc4 n GLU 91 N -1.31 2.44 -3.78 1.61 1.02 -0.99 -4.66 120.64 114.96 3kc4 n GLU 91 Ca 0.00 -2.22 -0.13 0.00 -0.02 0.00 0.00 57.16 54.79 3kc4 n GLU 91 Cb 0.20 -1.49 -0.10 0.00 -0.02 0.00 0.00 31.44 30.03 3kc4 n GLU 91 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 3kc4 s ILE 92 N -1.26 0.03 0.40 -3.67 1.01 -1.24 -4.70 121.20 111.76 3kc4 s ILE 92 Ca 0.41 -0.25 0.04 0.00 0.00 0.00 0.00 60.65 60.85 3kc4 s ILE 92 Cb 0.22 -0.48 -0.00 0.00 0.01 0.00 0.00 42.46 42.21 3kc4 s ILE 92 CO 0.29 -0.14 0.58 -2.16 0.00 0.00 0.00 174.94 173.51 3kc4 s PRO 93 N -0.54 3.06 0.00 2.79 0.04 -1.26 -4.63 135.00 134.46 3kc4 s PRO 93 Ca -0.06 -0.77 0.00 0.00 0.04 0.00 0.00 61.00 60.20 3kc4 s PRO 93 Cb -0.04 -2.69 0.00 0.00 0.04 0.00 0.00 34.50 31.81 3kc4 s PRO 93 CO 0.02 -0.13 0.00 0.41 0.04 0.00 0.00 177.00 177.34 3kc4 n GLY 94 N -1.87 1.79 3.76 0.56 0.00 -1.26 -4.99 105.19 103.17 3kc4 n GLY 94 Ca 0.01 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.62 3kc4 n GLY 94 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3kc4 s LEU 95 N 0.00 4.42 0.08 0.99 2.96 -1.26 -5.01 118.68 120.86 3kc4 s LEU 95 Ca 0.00 2.63 -0.17 0.00 -0.22 0.00 0.00 54.13 56.37 3kc4 s LEU 95 Cb 0.00 -3.64 0.04 0.00 0.50 0.00 0.00 46.19 43.09 3kc4 s LEU 95 CO 0.00 -0.55 0.41 -0.54 -1.32 0.00 0.00 176.35 174.35 3kc4 s LYS 96 N -1.30 0.98 -0.23 1.98 1.02 -1.26 -5.05 119.74 115.89 3kc4 s LYS 96 Ca 0.52 -0.51 -0.29 0.00 0.02 0.00 0.00 55.97 55.70 3kc4 s LYS 96 Cb -0.39 0.43 0.00 0.00 -0.52 0.00 0.00 37.83 37.36 3kc4 s LYS 96 CO 0.49 -0.36 1.11 0.15 -0.92 0.00 0.00 175.35 175.82 3kc4 s LYS 97 N -3.05 4.22 0.23 1.68 1.02 -1.26 -4.97 119.74 117.62 3kc4 s LYS 97 Ca -0.02 1.40 -0.31 0.00 0.02 0.00 0.00 55.97 57.07 3kc4 s LYS 97 Cb 0.00 -3.69 -0.11 0.00 -0.52 0.00 0.00 37.83 33.52 3kc4 s LYS 97 CO -0.06 -0.70 1.54 0.00 -0.92 0.00 0.00 175.35 175.21 3kc4 s ALA 98 N 3.37 3.73 -0.11 5.17 0.00 -1.26 -4.98 121.76 127.68 3kc4 s ALA 98 Ca 0.47 1.43 -0.10 0.00 0.00 0.00 0.00 51.96 53.76 3kc4 s ALA 98 Cb -0.16 -3.61 0.03 0.00 0.00 0.00 0.00 23.12 19.37 3kc4 s ALA 98 CO 0.10 -0.83 0.29 -1.12 0.00 0.00 0.00 175.76 174.20 3kc4 s SER 99 N 0.70 -0.31 0.00 0.00 0.01 -1.26 -5.35 113.70 107.49 3kc4 s SER 99 Ca 0.65 0.59 0.05 0.00 1.31 0.00 0.00 55.95 58.55 3kc4 s SER 99 Cb -0.45 0.59 0.04 0.00 0.21 0.00 0.00 66.02 66.41 3kc4 s SER 99 CO 0.40 -0.11 0.66 1.87 0.41 0.00 0.00 173.24 176.47