#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qp0 n LYS 2 N 0.00 -4.05 -0.24 0.00 4.81 -1.26 -3.84 118.16 113.58 2qp0 n LYS 2 Ca 0.00 3.12 0.16 0.00 -0.87 0.00 0.00 58.31 60.72 2qp0 n LYS 2 Cb 0.00 -5.00 0.30 0.00 0.02 0.00 0.00 35.03 30.35 2qp0 n LYS 2 CO 0.00 0.00 0.00 1.04 1.17 0.00 0.00 177.40 179.61 2qp0 n GLN 3 N 1.37 -0.05 -0.02 1.64 3.00 -1.26 0.38 117.38 122.44 2qp0 n GLN 3 Ca -0.25 1.06 -0.15 0.00 -0.01 0.00 0.00 57.00 57.65 2qp0 n GLN 3 Cb 0.40 -1.76 -0.09 0.00 0.00 0.00 0.00 30.24 28.79 2qp0 n GLN 3 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.06 178.09 2qp0 h SER 4 N 0.00 -1.68 -0.10 1.08 0.87 -2.01 -1.67 113.55 110.03 2qp0 h SER 4 Ca 0.51 0.20 0.01 0.00 -1.23 0.00 0.00 61.79 61.29 2qp0 h SER 4 Cb 1.19 0.66 -0.01 0.00 -0.44 0.00 0.00 62.40 63.80 2qp0 h SER 4 CO -0.64 -0.47 0.01 0.24 -0.53 0.00 0.00 176.83 175.44 2qp0 h MET 5 N -0.56 0.05 -0.99 2.24 2.86 -0.25 -2.39 114.93 115.88 2qp0 h MET 5 Ca 0.04 -0.00 0.32 0.00 -2.06 0.00 0.00 59.70 58.00 2qp0 h MET 5 Cb 0.67 -0.01 -0.15 0.00 0.06 0.00 0.00 31.60 32.17 2qp0 h MET 5 CO -0.45 0.03 0.53 0.87 1.06 0.00 0.00 176.91 178.96 2qp0 h LYS 6 N 0.05 0.28 -0.47 1.72 1.57 -0.91 0.54 116.57 119.36 2qp0 h LYS 6 Ca 0.04 -0.02 0.05 0.00 -1.87 0.00 0.00 60.65 58.85 2qp0 h LYS 6 Cb 0.04 -0.06 -0.05 0.00 0.08 0.00 0.00 32.23 32.24 2qp0 h LYS 6 CO -0.06 0.19 0.21 0.00 -0.57 0.00 0.00 179.45 179.22 2qp0 h ALA 7 N 1.85 0.59 -0.85 3.86 0.00 -0.78 -3.01 119.26 120.93 2qp0 h ALA 7 Ca 0.72 0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.67 2qp0 h ALA 7 Cb 1.65 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.42 2qp0 h ALA 7 CO -0.62 -0.16 0.00 0.54 0.00 0.00 0.00 179.25 179.01 2qp0 n ARG 8 N -4.94 0.00 -0.05 0.00 1.74 0.19 -2.05 116.66 111.55 2qp0 n ARG 8 Ca 0.04 0.59 -0.01 0.00 -0.77 0.00 0.00 57.85 57.70 2qp0 n ARG 8 Cb 0.15 -1.36 -0.01 0.00 -1.02 0.00 0.00 32.46 30.22 2qp0 n ARG 8 CO 0.00 0.00 0.00 -1.91 -1.52 0.00 0.00 177.63 174.20 2qp0 n GLU 9 N -1.98 -0.06 -0.05 5.56 4.07 -1.15 0.88 120.64 127.92 2qp0 n GLU 9 Ca 0.00 0.56 -0.05 0.00 -0.06 0.00 0.00 57.16 57.61 2qp0 n GLU 9 Cb 0.00 -0.84 -0.04 0.00 -0.06 0.00 0.00 31.44 30.50 2qp0 n GLU 9 CO 0.00 0.00 0.00 0.28 -0.06 0.00 0.00 177.13 177.35 2qp0 h VAL 10 N 0.00 0.00 -0.61 6.31 2.07 -1.50 -2.01 116.25 120.51 2qp0 h VAL 10 Ca 0.02 0.00 0.09 0.00 0.82 0.00 0.00 66.70 67.63 2qp0 h VAL 10 Cb 0.05 0.00 -0.07 0.00 -1.52 0.00 0.00 31.29 29.75 2qp0 h VAL 10 CO -0.12 0.00 0.24 0.11 0.02 0.00 0.00 177.57 177.82 2qp0 h LYS 11 N -0.16 0.41 -1.13 1.57 1.79 -0.62 -0.67 116.57 117.75 2qp0 h LYS 11 Ca 0.03 -0.02 0.32 0.00 -2.18 0.00 0.00 60.65 58.79 2qp0 h LYS 11 Cb 0.23 -0.09 -0.08 0.00 -1.58 0.00 0.00 32.23 30.71 2qp0 h LYS 11 CO -0.22 0.27 0.77 0.00 -1.08 0.00 0.00 179.45 179.19 2qp0 h ARG 12 N 0.42 0.19 0.00 3.15 3.08 0.12 -2.01 114.38 119.34 2qp0 h ARG 12 Ca 0.31 -0.01 -0.01 0.00 0.07 0.00 0.00 59.98 60.34 2qp0 h ARG 12 Cb 0.37 -0.04 -0.00 0.00 0.08 0.00 0.00 29.97 30.38 2qp0 h ARG 12 CO -0.30 0.13 -0.08 0.28 -1.07 0.00 0.00 179.97 178.93 2qp0 h VAL 13 N 0.20 0.74 -1.38 2.04 2.07 -0.47 -3.35 116.25 116.11 2qp0 h VAL 13 Ca 0.61 -1.58 0.44 0.00 0.82 0.00 0.00 66.70 66.99 2qp0 h VAL 13 Cb 1.93 1.42 -0.12 0.00 -1.52 0.00 0.00 31.29 33.01 2qp0 h VAL 13 CO -0.19 0.25 0.91 0.00 0.02 0.00 0.00 177.57 178.56 2qp0 h ALA 14 N -0.59 2.85 0.45 1.67 0.00 -0.81 -0.23 119.26 122.61 2qp0 h ALA 14 Ca -0.01 0.09 -0.01 0.00 0.00 0.00 0.00 54.91 54.97 2qp0 h ALA 14 Cb 0.47 0.19 -0.03 0.00 0.00 0.00 0.00 17.79 18.43 2qp0 h ALA 14 CO -0.01 -1.46 -0.52 -0.07 0.00 0.00 0.00 179.25 177.19 2qp0 h LEU 15 N 0.08 -1.44 -1.42 0.00 3.38 -1.54 -2.22 115.31 112.14 2qp0 h LEU 15 Ca 0.82 0.12 0.20 0.00 0.09 0.00 0.00 57.88 59.11 2qp0 h LEU 15 Cb 2.66 0.48 -0.07 0.00 0.09 0.00 0.00 40.66 43.83 2qp0 h LEU 15 CO -0.36 -0.66 0.60 0.00 0.09 0.00 0.00 178.44 178.11 2qp0 h ALA 16 N -0.85 2.10 0.00 1.53 0.00 -1.15 0.35 119.26 121.25 2qp0 h ALA 16 Ca -0.06 0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.88 2qp0 h ALA 16 Cb 0.87 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.61 2qp0 h ALA 16 CO -0.10 -0.39 0.00 -0.25 0.00 0.00 0.00 179.25 178.51 2qp0 n ASP 17 N -4.55 0.00 -0.12 0.00 10.43 -0.84 -1.12 116.55 120.35 2qp0 n ASP 17 Ca 0.20 0.38 0.02 0.00 2.57 0.00 0.00 54.79 57.95 2qp0 n ASP 17 Cb 0.66 -0.41 0.01 0.00 1.84 0.00 0.00 41.12 43.22 2qp0 n ASP 17 CO 0.00 0.00 0.00 0.29 -1.07 0.00 0.00 177.20 176.42 2qp0 n LYS 18 N -1.41 0.13 0.00 -1.24 5.02 0.12 -4.81 118.16 115.97 2qp0 n LYS 18 Ca 0.02 -0.63 0.00 0.00 -2.02 0.00 0.00 58.31 55.68 2qp0 n LYS 18 Cb 0.05 -1.02 0.00 0.00 -0.02 0.00 0.00 35.03 34.04 2qp0 n LYS 18 CO 0.00 0.00 0.00 0.66 -0.52 0.00 0.00 177.40 177.54 2qp0 n TYR 19 N 0.06 0.00 -0.25 2.13 4.02 -0.27 -4.93 117.16 117.93 2qp0 n TYR 19 Ca 0.02 0.00 0.20 0.00 -0.01 0.00 0.00 57.90 58.11 2qp0 n TYR 19 Cb 0.08 0.00 0.38 0.00 -0.02 0.00 0.00 39.34 39.78 2qp0 n TYR 19 CO 0.00 0.00 0.00 1.19 -1.01 0.00 0.00 176.86 177.04 2qp0 n PHE 20 N 0.00 0.77 -0.53 -0.72 3.01 -1.16 0.27 117.46 119.10 2qp0 n PHE 20 Ca 0.00 0.89 0.43 0.00 1.01 0.00 0.00 57.45 59.79 2qp0 n PHE 20 Cb 0.00 -1.24 0.72 0.00 -0.01 0.00 0.00 39.48 38.94 2qp0 n PHE 20 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 2qp0 h ALA 21 N 1.51 3.10 0.00 4.37 0.00 -1.82 0.65 119.26 127.07 2qp0 h ALA 21 Ca 0.59 0.08 0.00 0.00 0.00 0.00 0.00 54.91 55.58 2qp0 h ALA 21 Cb 1.48 0.22 0.00 0.00 0.00 0.00 0.00 17.79 19.49 2qp0 h ALA 21 CO -0.62 -1.75 0.00 1.63 0.00 0.00 0.00 179.25 178.51 2qp0 n LYS 22 N -4.52 0.21 0.00 0.00 5.02 0.14 -4.77 118.16 114.24 2qp0 n LYS 22 Ca 0.41 -0.15 0.01 0.00 -2.02 0.00 0.00 58.31 56.56 2qp0 n LYS 22 Cb 1.67 -0.59 0.00 0.00 -0.02 0.00 0.00 35.03 36.10 2qp0 n LYS 22 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 2qp0 n ARG 23 N -0.07 0.68 -0.09 1.97 1.74 0.89 -4.54 116.66 117.24 2qp0 n ARG 23 Ca 0.00 -0.50 0.01 0.00 -0.77 0.00 0.00 57.85 56.59 2qp0 n ARG 23 Cb 0.13 -0.95 0.05 0.00 -1.02 0.00 0.00 32.46 30.67 2qp0 n ARG 23 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2qp0 n ALA 24 N -0.11 2.61 -0.10 7.54 0.00 0.21 -3.73 120.51 126.93 2qp0 n ALA 24 Ca 0.01 -0.22 -0.15 0.00 0.00 0.00 0.00 53.44 53.08 2qp0 n ALA 24 Cb 0.05 -1.01 -0.06 0.00 0.00 0.00 0.00 19.45 18.42 2qp0 n ALA 24 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.50 176.65 2qp0 n GLU 25 N -0.03 0.52 -0.36 0.00 0.00 -1.26 -4.41 120.64 115.11 2qp0 n GLU 25 Ca 0.03 0.44 0.33 0.00 0.00 0.00 0.00 57.16 57.97 2qp0 n GLU 25 Cb 0.27 -1.63 0.59 0.00 0.00 0.00 0.00 31.44 30.67 2qp0 n GLU 25 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 177.13 178.60 2qp0 n LEU 26 N -4.47 0.28 0.00 -1.84 -0.00 -1.24 -1.59 117.00 108.13 2qp0 n LEU 26 Ca -0.24 1.46 0.00 0.00 -0.00 0.00 0.00 56.01 57.22 2qp0 n LEU 26 Cb 0.55 -0.71 0.00 0.00 -0.00 0.00 0.00 43.42 43.25 2qp0 n LEU 26 CO 0.14 -1.61 0.00 2.29 -0.00 0.00 0.00 177.39 178.20 2qp0 n LYS 27 N -4.91 0.00 -0.56 1.47 -0.00 -1.26 0.21 118.16 113.11 2qp0 n LYS 27 Ca 0.37 0.00 0.47 0.00 -0.00 0.00 0.00 58.31 59.14 2qp0 n LYS 27 Cb 1.32 -0.41 0.79 0.00 -0.00 0.00 0.00 35.03 36.73 2qp0 n LYS 27 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 2qp0 h ALA 28 N -2.32 3.59 -3.00 0.58 0.00 -1.77 -0.84 119.26 115.50 2qp0 h ALA 28 Ca 0.00 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.85 2qp0 h ALA 28 Cb 0.00 0.13 0.00 0.00 0.00 0.00 0.00 17.79 17.92 2qp0 h ALA 28 CO 0.00 -2.10 0.00 -0.89 0.00 0.00 0.00 179.25 176.26 2qp0 n ILE 29 N -3.98 0.00 -0.35 0.00 5.41 -0.62 -0.55 119.36 119.28 2qp0 n ILE 29 Ca 0.37 0.00 0.26 0.00 1.00 0.00 0.00 62.75 64.39 2qp0 n ILE 29 Cb 1.75 0.00 0.51 0.00 -0.71 0.00 0.00 39.64 41.19 2qp0 n ILE 29 CO 0.00 0.00 0.00 0.40 0.00 0.00 0.00 176.55 176.95 2qp0 h ILE 30 N 0.00 0.27 -0.21 1.39 2.04 -1.50 1.71 117.51 121.20 2qp0 h ILE 30 Ca 0.00 -0.09 -0.08 0.00 1.00 0.00 0.00 64.86 65.69 2qp0 h ILE 30 Cb 0.00 -0.03 -0.05 0.00 -0.74 0.00 0.00 36.82 36.00 2qp0 h ILE 30 CO 0.00 0.05 0.10 -0.24 0.00 0.00 0.00 178.15 178.06 2qp0 n SER 31 N -4.99 2.81 0.06 1.72 2.88 0.55 0.28 113.62 116.92 2qp0 n SER 31 Ca 0.33 -2.34 0.00 0.00 -1.33 0.00 0.00 58.87 55.53 2qp0 n SER 31 Cb 1.06 -0.57 0.00 0.00 -0.75 0.00 0.00 64.21 63.95 2qp0 n SER 31 CO 0.00 0.00 0.00 -0.67 -1.23 0.00 0.00 175.04 173.14 2qp0 n ASP 32 N 0.11 -1.09 -3.95 -3.46 4.64 0.24 -4.57 116.55 108.48 2qp0 n ASP 32 Ca 0.12 0.41 -0.30 0.00 -1.38 0.00 0.00 54.79 53.64 2qp0 n ASP 32 Cb 0.68 1.26 -0.14 0.00 -1.04 0.00 0.00 41.12 41.88 2qp0 n ASP 32 CO 0.00 0.00 0.00 -0.69 -0.82 0.00 0.00 177.20 175.69 2qp0 s VAL 33 N -1.59 2.64 0.00 5.18 1.01 0.52 -1.32 120.40 126.84 2qp0 s VAL 33 Ca 0.00 -3.45 0.00 0.00 0.00 0.00 0.00 61.98 58.53 2qp0 s VAL 33 Cb 0.00 -2.82 0.00 0.00 0.00 0.00 0.00 36.38 33.56 2qp0 s VAL 33 CO 0.00 -0.83 0.00 -3.20 0.00 0.00 0.00 175.10 171.07 2qp0 n ASN 34 N 2.96 0.00 -0.13 3.32 5.15 -1.24 -4.23 115.26 121.09 2qp0 n ASN 34 Ca 0.07 0.00 0.27 0.00 -0.60 0.00 0.00 54.58 54.32 2qp0 n ASN 34 Cb 0.32 0.00 0.72 0.00 -0.53 0.00 0.00 39.78 40.29 2qp0 n ASN 34 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2qp0 h ALA 35 N 2.00 2.72 -3.30 5.20 0.00 -1.90 -3.49 119.26 120.48 2qp0 h ALA 35 Ca 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.88 2qp0 h ALA 35 Cb 0.00 0.06 -0.00 0.00 0.00 0.00 0.00 17.79 17.85 2qp0 h ALA 35 CO 0.00 -1.07 -0.16 -2.13 0.00 0.00 0.00 179.25 175.90 2qp0 n ARG 40 N -4.09 -0.53 -3.15 0.00 3.00 0.36 -5.18 116.66 107.07 2qp0 n ARG 40 Ca 0.17 0.85 0.03 0.00 -0.00 0.00 0.00 57.85 58.90 2qp0 n ARG 40 Cb 0.94 -1.62 -0.00 0.00 0.00 0.00 0.00 32.46 31.78 2qp0 n ARG 40 CO 0.00 0.00 0.00 -0.46 0.00 0.00 0.00 177.63 177.17 2qp0 s TRP 41 N -0.21 -1.63 0.25 -0.14 -0.00 0.14 -4.82 118.94 112.54 2qp0 s TRP 41 Ca -0.01 0.73 -0.04 0.00 -0.00 0.00 0.00 56.10 56.79 2qp0 s TRP 41 Cb 0.00 0.28 0.49 0.00 -0.00 0.00 0.00 33.47 34.25 2qp0 s TRP 41 CO 0.11 -1.00 1.70 -0.97 -0.00 0.00 0.00 176.95 176.79 2qp0 h ASN 42 N 7.54 0.12 -1.36 5.86 -0.00 -1.92 0.42 115.58 126.23 2qp0 h ASN 42 Ca -0.00 0.14 0.39 0.00 -0.00 0.00 0.00 56.30 56.83 2qp0 h ASN 42 Cb 1.19 0.16 -0.06 0.00 -0.00 0.00 0.00 38.32 39.61 2qp0 h ASN 42 CO 0.10 0.00 0.97 0.00 -0.00 0.00 0.00 177.43 178.51 2qp0 h ALA 43 N 1.61 3.26 0.09 1.57 0.00 -1.95 0.33 119.26 124.16 2qp0 h ALA 43 Ca 0.43 -0.04 -0.17 0.00 0.00 0.00 0.00 54.91 55.13 2qp0 h ALA 43 Cb 0.73 0.10 0.01 0.00 0.00 0.00 0.00 17.79 18.63 2qp0 h ALA 43 CO -0.48 -1.65 -0.83 0.28 0.00 0.00 0.00 179.25 176.56 2qp0 h VAL 44 N 0.01 1.40 -0.02 0.00 2.07 -0.51 -3.12 116.25 116.09 2qp0 h VAL 44 Ca 0.65 -2.43 0.00 0.00 0.82 0.00 0.00 66.70 65.75 2qp0 h VAL 44 Cb 2.58 3.03 -0.00 0.00 -1.52 0.00 0.00 31.29 35.38 2qp0 h VAL 44 CO -0.02 0.65 0.14 -0.07 0.02 0.00 0.00 177.57 178.29 2qp0 h LEU 45 N -0.55 0.00 0.00 2.57 3.38 -0.02 -2.42 115.31 118.27 2qp0 h LEU 45 Ca -0.17 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.80 2qp0 h LEU 45 Cb 1.50 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.25 2qp0 h LEU 45 CO 0.06 0.00 -0.12 0.11 0.09 0.00 0.00 178.44 178.58 2qp0 h LYS 46 N 0.00 0.00 -1.21 1.13 1.57 -1.19 -3.35 116.57 113.51 2qp0 h LYS 46 Ca 0.01 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.79 2qp0 h LYS 46 Cb 0.28 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.59 2qp0 h LYS 46 CO -0.00 0.00 0.00 -0.11 -0.57 0.00 0.00 179.45 178.77 2qp0 n LEU 47 N -4.38 2.20 -0.12 2.94 7.94 -1.06 -3.50 117.00 121.02 2qp0 n LEU 47 Ca -0.02 -1.10 -0.18 0.00 -1.11 0.00 0.00 56.01 53.60 2qp0 n LEU 47 Cb 0.06 -0.38 -0.11 0.00 0.53 0.00 0.00 43.42 43.52 2qp0 n LEU 47 CO 0.02 0.37 -1.30 0.00 -1.11 0.00 0.00 177.39 175.38 2qp0 n GLN 48 N 0.59 0.60 -1.71 1.96 -0.00 -0.94 -4.92 117.38 112.96 2qp0 n GLN 48 Ca 0.00 0.15 -0.43 0.00 -0.00 0.00 0.00 57.00 56.72 2qp0 n GLN 48 Cb 0.37 -1.48 -0.03 0.00 -0.00 0.00 0.00 30.24 29.10 2qp0 n GLN 48 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.06 178.05 2qp0 s THR 49 N -2.48 3.12 0.00 -0.39 2.01 -1.23 -4.41 115.64 112.26 2qp0 s THR 49 Ca -0.33 0.13 0.00 0.00 0.31 0.00 0.00 61.69 61.80 2qp0 s THR 49 Cb 0.09 -3.13 0.00 0.00 0.01 0.00 0.00 72.50 69.46 2qp0 s THR 49 CO 0.55 -0.07 0.00 0.00 -0.69 0.00 0.00 174.62 174.41 2qp0 n LEU 50 N 10.14 0.00 -0.02 4.42 -0.00 -1.26 -4.99 117.00 125.29 2qp0 n LEU 50 Ca 0.25 0.00 -0.17 0.00 -0.00 0.00 0.00 56.01 56.09 2qp0 n LEU 50 Cb 0.44 0.02 -0.08 0.00 -0.00 0.00 0.00 43.42 43.80 2qp0 n LEU 50 CO 0.67 -0.02 0.30 1.55 -0.00 0.00 0.00 177.39 179.88 2qp0 h PRO 51 N 0.00 0.66 0.00 1.47 0.13 -1.96 -3.46 132.00 128.84 2qp0 h PRO 51 Ca 0.00 -0.56 0.00 0.00 -0.87 0.00 0.00 66.00 64.57 2qp0 h PRO 51 Cb 0.00 0.12 0.00 0.00 0.13 0.00 0.00 31.00 31.25 2qp0 h PRO 51 CO 0.00 1.17 0.00 -2.13 -0.23 0.00 0.00 178.00 176.81 2qp0 n ARG 52 N -4.07 0.00 0.27 0.86 3.00 -1.26 -1.77 116.66 113.69 2qp0 n ARG 52 Ca -0.08 0.00 0.14 0.00 -0.00 0.00 0.00 57.85 57.91 2qp0 n ARG 52 Cb 0.69 0.00 0.77 0.00 0.00 0.00 0.00 32.46 33.92 2qp0 n ARG 52 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.63 177.19 2qp0 h ASP 53 N 0.00 0.00 0.00 6.15 3.32 -1.92 -2.19 116.42 121.78 2qp0 h ASP 53 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 2qp0 h ASP 53 Cb 0.00 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.55 2qp0 h ASP 53 CO 0.00 0.09 0.00 -0.24 -1.72 0.00 0.00 179.24 177.37 2qp0 n SER 54 N -3.48 0.81 -4.46 6.45 2.88 -0.73 -4.60 113.62 110.49 2qp0 n SER 54 Ca -0.01 -1.54 -0.28 0.00 -1.33 0.00 0.00 58.87 55.70 2qp0 n SER 54 Cb 0.24 -0.39 -0.11 0.00 -0.75 0.00 0.00 64.21 63.20 2qp0 n SER 54 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 2qp0 s SER 55 N -0.19 3.67 0.49 -3.46 0.01 -0.83 -3.89 113.70 109.51 2qp0 s SER 55 Ca 0.00 -0.72 0.00 0.00 1.31 0.00 0.00 55.95 56.54 2qp0 s SER 55 Cb 0.00 -0.40 0.00 0.00 0.21 0.00 0.00 66.02 65.83 2qp0 s SER 55 CO 0.00 0.14 0.00 -0.81 0.41 0.00 0.00 173.24 172.98 2qp0 n PRO 56 N 0.47 -0.01 -1.54 12.44 -0.04 -1.26 -4.18 135.00 140.89 2qp0 n PRO 56 Ca -0.14 0.00 -0.09 0.00 -0.04 0.00 0.00 63.50 63.23 2qp0 n PRO 56 Cb 0.54 0.00 -0.03 0.00 -0.04 0.00 0.00 33.50 33.97 2qp0 n PRO 56 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 2qp0 n SER 57 N -1.47 -2.56 -0.27 3.54 7.64 -1.26 -4.72 113.62 114.53 2qp0 n SER 57 Ca 0.00 0.24 0.03 0.00 1.01 0.00 0.00 58.87 60.15 2qp0 n SER 57 Cb 0.00 -2.46 0.04 0.00 -1.01 0.00 0.00 64.21 60.78 2qp0 n SER 57 CO 0.00 0.00 0.00 -1.14 -3.01 0.00 0.00 175.04 170.89 2qp0 n ARG 58 N -1.86 0.62 -4.24 1.43 0.63 -1.26 -5.08 116.66 106.91 2qp0 n ARG 58 Ca -0.09 -1.47 -0.25 0.00 -0.92 0.00 0.00 57.85 55.12 2qp0 n ARG 58 Cb 0.36 -0.85 -0.07 0.00 0.45 0.00 0.00 32.46 32.35 2qp0 n ARG 58 CO 0.00 0.00 0.00 -0.65 -2.51 0.00 0.00 177.63 174.47 2qp0 s GLN 59 N -0.97 2.40 -0.18 -0.14 1.11 -1.26 -5.04 119.66 115.58 2qp0 s GLN 59 Ca 0.10 -1.23 0.13 0.00 0.01 0.00 0.00 55.36 54.37 2qp0 s GLN 59 Cb 0.09 -2.29 0.40 0.00 -1.01 0.00 0.00 33.01 30.19 2qp0 s GLN 59 CO 0.01 0.41 1.20 2.89 0.01 0.00 0.00 175.29 179.82 2qp0 n ARG 60 N -0.52 1.44 0.00 2.91 1.85 -1.26 -5.04 116.66 116.05 2qp0 n ARG 60 Ca -0.08 -3.10 0.00 0.00 -1.00 0.00 0.00 57.85 53.67 2qp0 n ARG 60 Cb 0.57 -1.51 0.00 0.00 -1.05 0.00 0.00 32.46 30.47 2qp0 n ARG 60 CO 0.00 0.00 0.00 0.27 -0.01 0.00 0.00 177.63 177.89 2qp0 n ASN 61 N -1.08 0.00 -0.42 2.89 0.23 -1.26 -4.75 115.26 110.87 2qp0 n ASN 61 Ca 0.18 0.00 0.00 0.00 -0.53 0.00 0.00 54.58 54.23 2qp0 n ASN 61 Cb 0.71 0.00 0.00 0.00 -2.08 0.00 0.00 39.78 38.41 2qp0 n ASN 61 CO 0.00 0.00 0.00 0.54 -0.93 0.00 0.00 177.26 176.87 2qp0 n ARG 62 N 0.00 -1.20 -0.76 -3.83 1.74 -1.26 -4.96 116.66 106.40 2qp0 n ARG 62 Ca 0.00 0.88 -0.33 0.00 -0.77 0.00 0.00 57.85 57.64 2qp0 n ARG 62 Cb 0.00 -0.99 0.14 0.00 -1.02 0.00 0.00 32.46 30.59 2qp0 n ARG 62 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2qp0 h ARG 64 N -1.74 -0.78 0.00 0.00 2.47 -1.80 -3.37 114.38 109.16 2qp0 h ARG 64 Ca -0.48 0.05 0.00 0.00 -1.26 0.00 0.00 59.98 58.30 2qp0 h ARG 64 Cb 1.32 0.18 0.00 0.00 -1.65 0.00 0.00 29.97 29.81 2qp0 h ARG 64 CO 0.35 -0.52 0.00 1.04 0.56 0.00 0.00 179.97 181.40 2qp0 n GLN 65 N -4.25 0.00 -2.33 0.04 3.00 -1.26 -4.71 117.38 107.87 2qp0 n GLN 65 Ca -0.10 0.00 -0.43 0.00 -0.01 0.00 0.00 57.00 56.46 2qp0 n GLN 65 Cb 0.32 -0.69 -0.02 0.00 0.00 0.00 0.00 30.24 29.85 2qp0 n GLN 65 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.06 178.01 2qp0 s THR 66 N -0.44 4.10 -1.11 5.09 -4.23 -1.26 -4.87 115.64 112.92 2qp0 s THR 66 Ca 0.00 1.35 0.00 0.00 -1.18 0.00 0.00 61.69 61.86 2qp0 s THR 66 Cb 0.00 -3.87 0.00 0.00 1.34 0.00 0.00 72.50 69.97 2qp0 s THR 66 CO 0.00 -0.10 0.25 0.61 -0.54 0.00 0.00 174.62 174.84 2qp0 n GLY 67 N 3.69 0.55 2.83 3.99 0.00 -1.26 -2.20 105.19 112.79 2qp0 n GLY 67 Ca 0.14 0.00 -0.46 0.00 0.00 0.00 0.00 46.02 45.70 2qp0 n GLY 67 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 2qp0 n ARG 68 N 0.19 0.00 0.25 1.61 0.63 -1.26 -4.45 116.66 113.62 2qp0 n ARG 68 Ca 0.00 0.00 0.12 0.00 -0.92 0.00 0.00 57.85 57.05 2qp0 n ARG 68 Cb 0.10 -1.28 0.76 0.00 0.45 0.00 0.00 32.46 32.49 2qp0 n ARG 68 CO 0.00 0.00 0.00 -1.00 -2.51 0.00 0.00 177.63 174.12 2qp0 h PRO 69 N 8.44 0.00 -6.04 -0.14 0.13 -1.88 -3.30 132.00 129.20 2qp0 h PRO 69 Ca -0.07 0.00 -0.54 0.00 -0.87 0.00 0.00 66.00 64.52 2qp0 h PRO 69 Cb 1.18 0.00 -0.05 0.00 0.13 0.00 0.00 31.00 32.26 2qp0 h PRO 69 CO 1.01 0.00 -0.35 -1.01 -0.23 0.00 0.00 178.00 177.41 2qp0 s HIS 70 N -4.87 2.18 -0.52 1.56 3.76 -1.26 -4.74 115.29 111.40 2qp0 s HIS 70 Ca -0.05 -0.67 -0.18 0.00 -0.15 0.00 0.00 55.06 54.01 2qp0 s HIS 70 Cb 0.16 -2.03 0.02 0.00 1.11 0.00 0.00 32.58 31.85 2qp0 s HIS 70 CO 0.62 -0.26 0.63 0.41 -0.85 0.00 0.00 174.74 175.29 2qp0 n GLY 71 N -1.62 -0.94 3.54 -2.22 0.00 -1.26 -4.73 105.19 97.97 2qp0 n GLY 71 Ca 0.01 1.07 -0.25 0.00 0.00 0.00 0.00 46.02 46.84 2qp0 n GLY 71 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 2qp0 s PHE 72 N -2.42 2.32 -0.43 1.61 5.99 -1.26 -1.74 117.98 122.05 2qp0 s PHE 72 Ca 0.22 -0.67 0.05 0.00 0.00 0.00 0.00 56.93 56.53 2qp0 s PHE 72 Cb -0.05 -1.49 0.17 0.00 0.00 0.00 0.00 43.02 41.66 2qp0 s PHE 72 CO 0.80 0.40 0.44 -0.51 -0.00 0.00 0.00 175.22 176.35 2qp0 s LEU 73 N -3.61 0.46 0.00 6.12 1.43 -1.23 -4.85 118.68 117.00 2qp0 s LEU 73 Ca 0.34 -2.52 0.00 0.00 -1.03 0.00 0.00 54.13 50.92 2qp0 s LEU 73 Cb 0.07 0.30 0.00 0.00 0.03 0.00 0.00 46.19 46.59 2qp0 s LEU 73 CO 0.16 -0.15 0.00 0.54 0.23 0.00 0.00 176.35 177.13 2qp0 n ARG 74 N 3.06 0.00 0.00 1.70 5.12 -1.26 -2.35 116.66 122.93 2qp0 n ARG 74 Ca 0.24 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 56.16 2qp0 n ARG 74 Cb 0.49 0.00 0.00 0.00 -1.16 0.00 0.00 32.46 31.79 2qp0 n ARG 74 CO 0.00 0.00 0.00 1.17 -1.93 0.00 0.00 177.63 176.87 2qp0 n LYS 75 N -2.27 0.00 -0.27 5.56 4.81 -1.26 -3.44 118.16 121.28 2qp0 n LYS 75 Ca 0.00 0.00 0.04 0.00 -0.87 0.00 0.00 58.31 57.48 2qp0 n LYS 75 Cb 0.00 -0.17 0.09 0.00 0.02 0.00 0.00 35.03 34.98 2qp0 n LYS 75 CO 0.00 0.00 0.00 1.19 1.17 0.00 0.00 177.40 179.76 2qp0 n PHE 76 N 0.00 0.24 0.00 5.64 0.99 -1.04 -4.80 117.46 118.48 2qp0 n PHE 76 Ca 0.00 0.92 0.00 0.00 -0.00 0.00 0.00 57.45 58.37 2qp0 n PHE 76 Cb 0.00 -0.91 0.00 0.00 -1.00 0.00 0.00 39.48 37.57 2qp0 n PHE 76 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17 2qp0 n GLY 77 N -1.46 0.82 3.99 1.37 0.00 -0.99 -5.06 105.19 103.87 2qp0 n GLY 77 Ca 0.11 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.95 2qp0 n GLY 77 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2qp0 s LEU 78 N 0.00 3.80 0.44 0.99 1.02 -1.26 -2.22 118.68 121.45 2qp0 s LEU 78 Ca 0.00 -0.32 -0.05 0.00 0.02 0.00 0.00 54.13 53.79 2qp0 s LEU 78 Cb 0.00 -2.68 -0.04 0.00 0.02 0.00 0.00 46.19 43.49 2qp0 s LEU 78 CO 0.00 -0.59 0.73 -0.94 0.02 0.00 0.00 176.35 175.57 2qp0 s SER 79 N -4.25 6.31 0.25 2.29 1.04 -1.26 -3.56 113.70 114.52 2qp0 s SER 79 Ca 0.50 0.85 -0.01 0.00 0.48 0.00 0.00 55.95 57.77 2qp0 s SER 79 Cb -0.09 -2.21 0.56 0.00 0.10 0.00 0.00 66.02 64.37 2qp0 s SER 79 CO 0.32 -0.49 1.29 -1.14 0.98 0.00 0.00 173.24 174.20 2qp0 n ARG 80 N -2.00 -0.07 -0.02 4.02 0.63 -0.71 0.76 116.66 119.27 2qp0 n ARG 80 Ca -0.00 1.25 -0.17 0.00 -0.92 0.00 0.00 57.85 58.01 2qp0 n ARG 80 Cb 0.55 -1.95 -0.08 0.00 0.45 0.00 0.00 32.46 31.42 2qp0 n ARG 80 CO 0.00 0.00 0.00 -0.84 -2.51 0.00 0.00 177.63 174.28 2qp0 h ILE 81 N 0.00 1.34 -0.05 5.15 -0.00 -1.93 -3.23 117.51 118.79 2qp0 h ILE 81 Ca 0.47 -1.89 -0.19 0.00 -0.00 0.00 0.00 64.86 63.25 2qp0 h ILE 81 Cb 0.91 2.15 -0.00 0.00 -0.00 0.00 0.00 36.82 39.87 2qp0 h ILE 81 CO -0.80 0.58 -0.78 0.11 -0.00 0.00 0.00 178.15 177.25 2qp0 h LYS 82 N 0.25 0.37 -0.52 0.16 1.79 -1.31 -2.86 116.57 114.46 2qp0 h LYS 82 Ca -0.04 -0.33 0.09 0.00 -2.18 0.00 0.00 60.65 58.19 2qp0 h LYS 82 Cb 1.24 0.08 -0.03 0.00 -1.58 0.00 0.00 32.23 31.94 2qp0 h LYS 82 CO 0.12 0.99 0.35 0.28 -1.08 0.00 0.00 179.45 180.11 2qp0 h VAL 83 N 0.24 0.89 0.12 0.50 2.07 0.26 -2.63 116.25 117.71 2qp0 h VAL 83 Ca -0.04 -0.11 -0.01 0.00 0.82 0.00 0.00 66.70 67.37 2qp0 h VAL 83 Cb 1.37 0.56 0.00 0.00 -1.52 0.00 0.00 31.29 31.70 2qp0 h VAL 83 CO 0.13 0.06 -0.06 -0.09 0.02 0.00 0.00 177.57 177.63 2qp0 h ARG 84 N 0.31 -0.16 -1.47 1.57 2.43 -1.55 -1.81 114.38 113.71 2qp0 h ARG 84 Ca 0.24 0.01 0.43 0.00 -0.81 0.00 0.00 59.98 59.85 2qp0 h ARG 84 Cb 0.53 0.04 -0.08 0.00 -0.42 0.00 0.00 29.97 30.04 2qp0 h ARG 84 CO -0.05 0.06 1.03 1.49 -1.51 0.00 0.00 179.97 180.99 2qp0 h GLU 85 N -1.01 0.05 0.09 0.20 4.81 -1.32 0.79 114.58 118.18 2qp0 h GLU 85 Ca -0.02 -0.00 -0.36 0.00 -0.13 0.00 0.00 59.36 58.85 2qp0 h GLU 85 Cb 0.30 -0.01 -0.03 0.00 0.63 0.00 0.00 28.75 29.64 2qp0 h GLU 85 CO 0.03 0.03 -2.02 0.00 -0.73 0.00 0.00 179.01 176.32 2qp0 n ALA 86 N -2.76 1.07 0.09 2.92 0.00 -1.01 -4.19 120.51 116.64 2qp0 n ALA 86 Ca 0.34 -0.70 -0.13 0.00 0.00 0.00 0.00 53.44 52.95 2qp0 n ALA 86 Cb 1.51 -0.63 -0.06 0.00 0.00 0.00 0.00 19.45 20.27 2qp0 n ALA 86 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2qp0 h ALA 87 N 0.25 -0.52 0.00 0.00 0.00 0.07 -0.66 119.26 118.39 2qp0 h ALA 87 Ca -0.42 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.45 2qp0 h ALA 87 Cb 2.02 0.55 0.00 0.00 0.00 0.00 0.00 17.79 20.36 2qp0 h ALA 87 CO 0.07 -0.86 0.00 0.52 0.00 0.00 0.00 179.25 178.98 2qp0 h MET 88 N -0.52 0.00 0.09 0.00 2.86 -1.68 -2.71 114.93 112.98 2qp0 h MET 88 Ca 0.04 0.00 -0.23 0.00 -2.06 0.00 0.00 59.70 57.45 2qp0 h MET 88 Cb 0.57 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.22 2qp0 h MET 88 CO -0.22 0.00 -1.18 0.00 1.06 0.00 0.00 176.91 176.57 2qp0 h ARG 89 N 0.00 0.18 0.00 1.72 3.08 -1.43 -3.49 114.38 114.45 2qp0 h ARG 89 Ca 0.00 -0.31 0.00 0.00 0.07 0.00 0.00 59.98 59.74 2qp0 h ARG 89 Cb 0.08 0.12 0.00 0.00 0.08 0.00 0.00 29.97 30.24 2qp0 h ARG 89 CO 0.00 1.15 0.00 0.41 -1.07 0.00 0.00 179.97 180.46 2qp0 n GLY 90 N 1.67 1.38 0.24 0.04 0.00 -0.36 -4.99 105.19 103.17 2qp0 n GLY 90 Ca -0.23 0.00 0.17 0.00 0.00 0.00 0.00 46.02 45.95 2qp0 n GLY 90 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 2qp0 h GLU 91 N 0.00 0.00 -5.03 1.61 4.39 -1.71 -3.40 114.58 110.44 2qp0 h GLU 91 Ca 0.00 0.00 -0.66 0.00 0.34 0.00 0.00 59.36 59.04 2qp0 h GLU 91 Cb 0.00 0.00 -0.32 0.00 -0.10 0.00 0.00 28.75 28.33 2qp0 h GLU 91 CO 0.00 0.00 -0.80 0.42 -1.16 0.00 0.00 179.01 177.47 2qp0 s ILE 92 N -3.73 2.68 0.43 3.13 1.09 -1.26 -5.04 121.20 118.50 2qp0 s ILE 92 Ca -0.01 -0.73 -0.23 0.00 -1.10 0.00 0.00 60.65 58.58 2qp0 s ILE 92 Cb 0.10 -2.18 -0.09 0.00 -1.06 0.00 0.00 42.46 39.23 2qp0 s ILE 92 CO 0.38 0.49 1.06 -2.16 -0.10 0.00 0.00 174.94 174.61 2qp0 s PRO 93 N 1.37 4.01 -0.52 2.79 0.04 -1.26 -3.70 135.00 137.74 2qp0 s PRO 93 Ca 0.05 1.52 0.00 0.00 0.04 0.00 0.00 61.00 62.61 2qp0 s PRO 93 Cb -0.14 -2.42 0.00 0.00 0.04 0.00 0.00 34.50 31.99 2qp0 s PRO 93 CO -0.08 -0.27 0.00 0.41 0.04 0.00 0.00 177.00 177.09 2qp0 n GLY 94 N 0.22 0.59 3.30 0.56 0.00 -1.26 -4.98 105.19 103.62 2qp0 n GLY 94 Ca 0.06 -0.10 -0.32 0.00 0.00 0.00 0.00 46.02 45.66 2qp0 n GLY 94 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2qp0 s LEU 95 N -1.11 2.34 0.30 0.99 2.96 -1.24 -5.11 118.68 117.80 2qp0 s LEU 95 Ca 0.00 -0.44 -0.19 0.00 -0.22 0.00 0.00 54.13 53.28 2qp0 s LEU 95 Cb 0.00 -1.48 0.02 0.00 0.50 0.00 0.00 46.19 45.24 2qp0 s LEU 95 CO 0.00 0.20 0.70 -1.59 -1.32 0.00 0.00 176.35 174.34 2qp0 s LYS 96 N 0.14 1.85 -0.40 1.98 -2.85 -1.26 -4.98 119.74 114.22 2qp0 s LYS 96 Ca -0.10 -1.12 -0.30 0.00 -1.00 0.00 0.00 55.97 53.45 2qp0 s LYS 96 Cb -0.16 0.60 -0.09 0.00 -2.06 0.00 0.00 37.83 36.12 2qp0 s LYS 96 CO 0.06 -0.84 2.31 1.63 0.10 0.00 0.00 175.35 178.61 2qp0 n LYS 97 N -0.47 1.24 -1.23 1.78 4.76 -1.26 -4.93 118.16 118.05 2qp0 n LYS 97 Ca -0.04 0.25 -0.32 0.00 -2.87 0.00 0.00 58.31 55.33 2qp0 n LYS 97 Cb 0.60 -2.89 0.11 0.00 -1.84 0.00 0.00 35.03 31.00 2qp0 n LYS 97 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 2qp0 s ALA 98 N 9.15 2.04 -0.29 7.82 0.00 -1.26 -5.05 121.76 134.17 2qp0 s ALA 98 Ca 1.06 0.56 -0.19 0.00 0.00 0.00 0.00 51.96 53.39 2qp0 s ALA 98 Cb -0.55 -3.38 0.17 0.00 0.00 0.00 0.00 23.12 19.37 2qp0 s ALA 98 CO 0.38 -1.99 1.15 0.45 0.00 0.00 0.00 175.76 175.76 2qp0 s SER 99 N -2.72 -0.28 0.00 0.00 0.15 -1.26 -5.34 113.70 104.26 2qp0 s SER 99 Ca 0.67 0.48 0.00 0.00 0.70 0.00 0.00 55.95 57.80 2qp0 s SER 99 Cb -0.22 0.92 0.00 0.00 -1.71 0.00 0.00 66.02 65.01 2qp0 s SER 99 CO 0.51 -0.08 0.00 -2.67 1.20 0.00 0.00 173.24 172.21