#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i1m n LYS 2 N 0.00 -0.92 -0.18 0.00 4.81 -1.26 -4.49 118.16 116.12 3i1m n LYS 2 Ca 0.00 1.11 0.07 0.00 -0.87 0.00 0.00 58.31 58.62 3i1m n LYS 2 Cb 0.00 -2.52 0.14 0.00 0.02 0.00 0.00 35.03 32.67 3i1m n LYS 2 CO 0.00 0.00 0.00 0.94 1.17 0.00 0.00 177.40 179.51 3i1m n GLN 3 N -0.07 -0.04 0.10 1.64 -0.06 -1.26 -0.17 117.38 117.52 3i1m n GLN 3 Ca 0.02 0.80 -0.13 0.00 -2.00 0.00 0.00 57.00 55.68 3i1m n GLN 3 Cb 0.06 -1.25 -0.08 0.00 -4.06 0.00 0.00 30.24 24.90 3i1m n GLN 3 CO 0.00 0.00 0.00 1.03 -0.20 0.00 0.00 177.06 177.89 3i1m h SER 4 N 0.00 -0.18 -0.22 1.69 0.87 -2.01 -2.22 113.55 111.49 3i1m h SER 4 Ca 0.31 -0.13 0.06 0.00 -1.23 0.00 0.00 61.79 60.80 3i1m h SER 4 Cb 0.62 0.05 -0.01 0.00 -0.44 0.00 0.00 62.40 62.62 3i1m h SER 4 CO -0.50 0.02 0.22 0.24 -0.53 0.00 0.00 176.83 176.28 3i1m h MET 5 N -0.39 0.00 0.10 2.24 2.86 -0.83 -2.82 114.93 116.10 3i1m h MET 5 Ca -0.02 0.00 -0.00 0.00 -2.06 0.00 0.00 59.70 57.61 3i1m h MET 5 Cb 0.30 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.96 3i1m h MET 5 CO 0.04 0.00 -0.05 -0.22 1.06 0.00 0.00 176.91 177.74 3i1m h LYS 6 N 0.00 -0.13 -0.51 1.72 3.64 -0.81 -3.30 116.57 117.17 3i1m h LYS 6 Ca 0.10 0.01 0.15 0.00 -1.27 0.00 0.00 60.65 59.64 3i1m h LYS 6 Cb 0.54 0.03 -0.02 0.00 -0.41 0.00 0.00 32.23 32.37 3i1m h LYS 6 CO -0.00 -0.09 0.47 0.00 -2.27 0.00 0.00 179.45 177.56 3i1m h ALA 7 N -1.63 2.31 -0.86 5.00 0.00 -1.45 0.35 119.26 122.97 3i1m h ALA 7 Ca -0.01 -0.02 0.18 0.00 0.00 0.00 0.00 54.91 55.06 3i1m h ALA 7 Cb 0.10 0.04 -0.11 0.00 0.00 0.00 0.00 17.79 17.82 3i1m h ALA 7 CO 0.02 -0.74 0.38 0.00 0.00 0.00 0.00 179.25 178.92 3i1m h ARG 8 N 0.00 0.45 0.00 0.00 3.08 -1.57 0.31 114.38 116.64 3i1m h ARG 8 Ca 0.24 -0.03 -0.10 0.00 0.07 0.00 0.00 59.98 60.17 3i1m h ARG 8 Cb 1.19 -0.10 -0.01 0.00 0.08 0.00 0.00 29.97 31.12 3i1m h ARG 8 CO -0.00 0.30 -0.46 1.49 -1.07 0.00 0.00 179.97 180.22 3i1m h GLU 9 N 0.46 0.00 -0.11 0.04 4.57 -0.40 -2.48 114.58 116.66 3i1m h GLU 9 Ca 0.50 0.00 -0.09 0.00 -1.18 0.00 0.00 59.36 58.60 3i1m h GLU 9 Cb 0.86 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 29.44 3i1m h GLU 9 CO -0.46 0.46 -0.32 0.28 -1.18 0.00 0.00 179.01 177.79 3i1m h VAL 10 N 0.00 1.27 0.00 0.32 2.07 -0.94 0.36 116.25 119.32 3i1m h VAL 10 Ca -0.00 -1.28 -0.16 0.00 0.82 0.00 0.00 66.70 66.08 3i1m h VAL 10 Cb 0.83 1.54 -0.02 0.00 -1.52 0.00 0.00 31.29 32.12 3i1m h VAL 10 CO 0.06 0.38 -0.75 0.50 0.02 0.00 0.00 177.57 177.78 3i1m h LYS 11 N 0.20 0.00 -0.06 1.57 3.64 -1.22 -0.26 116.57 120.43 3i1m h LYS 11 Ca 0.03 0.00 -0.10 0.00 -1.27 0.00 0.00 60.65 59.31 3i1m h LYS 11 Cb 0.67 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.49 3i1m h LYS 11 CO 0.05 0.75 -0.35 0.00 -2.27 0.00 0.00 179.45 177.64 3i1m h ARG 12 N 0.00 0.34 -0.59 1.90 3.08 -0.91 0.33 114.38 118.54 3i1m h ARG 12 Ca -0.01 -0.29 -0.05 0.00 0.07 0.00 0.00 59.98 59.71 3i1m h ARG 12 Cb 1.58 0.06 -0.03 0.00 0.08 0.00 0.00 29.97 31.66 3i1m h ARG 12 CO 0.10 0.94 0.17 0.28 -1.07 0.00 0.00 179.97 180.38 3i1m h VAL 13 N -0.16 1.23 0.04 2.04 2.07 -0.38 -1.28 116.25 119.81 3i1m h VAL 13 Ca -0.03 -0.81 -0.00 0.00 0.82 0.00 0.00 66.70 66.68 3i1m h VAL 13 Cb 1.01 0.60 0.00 0.00 -1.52 0.00 0.00 31.29 31.38 3i1m h VAL 13 CO 0.07 0.31 -0.02 0.00 0.02 0.00 0.00 177.57 177.95 3i1m h ALA 14 N 1.31 -1.01 -0.79 1.67 0.00 -0.94 -3.25 119.26 116.25 3i1m h ALA 14 Ca 0.19 -0.01 0.19 0.00 0.00 0.00 0.00 54.91 55.28 3i1m h ALA 14 Cb 0.28 0.03 -0.13 0.00 0.00 0.00 0.00 17.79 17.97 3i1m h ALA 14 CO -0.01 -1.00 0.09 -0.07 0.00 0.00 0.00 179.25 178.26 3i1m h LEU 15 N -0.06 -0.21 -0.75 0.00 3.38 -0.34 -1.66 115.31 115.67 3i1m h LEU 15 Ca -0.01 0.19 0.00 0.00 0.09 0.00 0.00 57.88 58.16 3i1m h LEU 15 Cb 0.04 0.31 0.00 0.00 0.09 0.00 0.00 40.66 41.10 3i1m h LEU 15 CO 0.01 -0.16 0.68 0.00 0.09 0.00 0.00 178.44 179.06 3i1m h ALA 16 N 1.72 1.65 0.00 1.53 0.00 -1.26 -0.55 119.26 122.35 3i1m h ALA 16 Ca 0.46 0.00 -0.10 0.00 0.00 0.00 0.00 54.91 55.27 3i1m h ALA 16 Cb 0.84 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.61 3i1m h ALA 16 CO -0.65 -0.65 -1.37 -0.40 0.00 0.00 0.00 179.25 176.18 3i1m n ASP 17 N -2.50 3.63 -0.13 0.00 3.85 -0.64 -3.27 116.55 117.49 3i1m n ASP 17 Ca -0.01 -0.01 -0.06 0.00 -0.71 0.00 0.00 54.79 54.00 3i1m n ASP 17 Cb 0.70 0.40 -0.00 0.00 -1.35 0.00 0.00 41.12 40.87 3i1m n ASP 17 CO 0.00 0.00 0.00 0.11 -1.01 0.00 0.00 177.20 176.30 3i1m h LYS 18 N 0.00 -0.19 0.00 0.11 1.57 -0.98 -3.37 116.57 113.71 3i1m h LYS 18 Ca -0.15 0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.65 3i1m h LYS 18 Cb 1.30 0.04 0.00 0.00 0.08 0.00 0.00 32.23 33.65 3i1m h LYS 18 CO -0.00 -0.13 -0.00 0.66 -0.57 0.00 0.00 179.45 179.41 3i1m n TYR 19 N -5.41 0.00 -0.89 -1.35 4.02 -0.85 -4.69 117.16 107.99 3i1m n TYR 19 Ca 0.02 0.00 -0.32 0.00 -0.01 0.00 0.00 57.90 57.59 3i1m n TYR 19 Cb 0.33 -0.11 0.14 0.00 -0.02 0.00 0.00 39.34 39.68 3i1m n TYR 19 CO 0.00 0.00 0.00 1.19 -1.01 0.00 0.00 176.86 177.04 3i1m n PHE 20 N -2.40 0.83 0.00 -0.72 3.01 -1.20 -0.75 117.46 116.23 3i1m n PHE 20 Ca -0.00 0.39 0.00 0.00 1.01 0.00 0.00 57.45 58.85 3i1m n PHE 20 Cb 0.00 -2.03 0.00 0.00 -0.01 0.00 0.00 39.48 37.44 3i1m n PHE 20 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 3i1m n ALA 21 N -3.72 0.00 -1.00 4.37 0.00 -1.26 -4.14 120.51 114.76 3i1m n ALA 21 Ca 0.12 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.56 3i1m n ALA 21 Cb 0.51 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.96 3i1m n ALA 21 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 3i1m n LYS 22 N 0.00 0.00 0.07 0.00 3.00 0.07 -4.09 118.16 117.21 3i1m n LYS 22 Ca 0.00 0.00 0.20 0.00 -0.00 0.00 0.00 58.31 58.51 3i1m n LYS 22 Cb 0.00 0.00 0.65 0.00 0.00 0.00 0.00 35.03 35.68 3i1m n LYS 22 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 3i1m h ARG 23 N 0.00 0.00 -0.75 1.64 3.08 -1.44 0.96 114.38 117.87 3i1m h ARG 23 Ca 0.00 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 60.04 3i1m h ARG 23 Cb 0.00 0.00 -0.04 0.00 0.08 0.00 0.00 29.97 30.01 3i1m h ARG 23 CO 0.00 0.00 0.43 0.00 -1.07 0.00 0.00 179.97 179.33 3i1m h ALA 24 N 1.18 1.35 -0.71 0.04 0.00 -1.81 -2.48 119.26 116.82 3i1m h ALA 24 Ca 0.22 -0.10 0.27 0.00 0.00 0.00 0.00 54.91 55.30 3i1m h ALA 24 Cb 1.48 -0.30 -0.13 0.00 0.00 0.00 0.00 17.79 18.84 3i1m h ALA 24 CO -0.00 0.55 0.27 -0.85 0.00 0.00 0.00 179.25 179.21 3i1m n GLU 25 N -4.37 -0.05 -2.36 0.00 0.28 0.33 -3.27 120.64 111.21 3i1m n GLU 25 Ca 0.08 1.01 -0.36 0.00 -0.16 0.00 0.00 57.16 57.72 3i1m n GLU 25 Cb 0.08 -1.74 -0.03 0.00 1.43 0.00 0.00 31.44 31.18 3i1m n GLU 25 CO 0.00 0.00 0.00 -0.51 -0.16 0.00 0.00 177.13 176.46 3i1m s LEU 26 N -9.44 3.47 0.00 -1.84 1.02 -0.94 -2.45 118.68 108.51 3i1m s LEU 26 Ca -0.07 -1.91 0.00 0.00 0.02 0.00 0.00 54.13 52.17 3i1m s LEU 26 Cb 0.23 -2.58 0.00 0.00 0.02 0.00 0.00 46.19 43.86 3i1m s LEU 26 CO 0.55 -1.99 0.00 2.29 0.02 0.00 0.00 176.35 177.22 3i1m n LYS 27 N 8.46 0.00 0.00 1.70 -0.00 -1.20 -4.82 118.16 122.30 3i1m n LYS 27 Ca 0.45 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.76 3i1m n LYS 27 Cb 0.47 0.00 0.00 0.00 -0.00 0.00 0.00 35.03 35.50 3i1m n LYS 27 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 3i1m n ALA 28 N -0.20 0.00 0.06 0.58 0.00 -1.02 0.12 120.51 120.04 3i1m n ALA 28 Ca 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 53.44 53.32 3i1m n ALA 28 Cb 0.00 0.02 -0.05 0.00 0.00 0.00 0.00 19.45 19.43 3i1m n ALA 28 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.50 178.32 3i1m h ILE 29 N 0.00 0.37 -0.83 0.00 2.04 -1.90 -2.94 117.51 114.25 3i1m h ILE 29 Ca 0.00 0.00 0.17 0.00 1.00 0.00 0.00 64.86 66.03 3i1m h ILE 29 Cb 0.00 0.37 -0.16 0.00 -0.74 0.00 0.00 36.82 36.29 3i1m h ILE 29 CO 0.00 0.00 -0.19 0.40 0.00 0.00 0.00 178.15 178.36 3i1m h ILE 30 N -0.43 0.18 -1.84 -0.67 5.03 -1.86 -2.60 117.51 115.32 3i1m h ILE 30 Ca 0.06 -0.00 -0.67 0.00 -0.12 0.00 0.00 64.86 64.13 3i1m h ILE 30 Cb 0.51 0.17 -0.36 0.00 -3.03 0.00 0.00 36.82 34.12 3i1m h ILE 30 CO -0.24 0.00 0.04 -1.20 -0.68 0.00 0.00 178.15 176.07 3i1m n SER 31 N -5.53 5.88 -3.62 1.72 7.64 0.33 -4.93 113.62 115.11 3i1m n SER 31 Ca 0.12 -3.75 -0.08 0.00 1.01 0.00 0.00 58.87 56.16 3i1m n SER 31 Cb 0.43 -0.74 -0.02 0.00 -1.01 0.00 0.00 64.21 62.87 3i1m n SER 31 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 3i1m s ASP 32 N -2.51 -0.37 -0.57 6.43 2.15 -0.98 -4.87 116.67 115.95 3i1m s ASP 32 Ca 0.49 -0.24 -0.12 0.00 0.43 0.00 0.00 52.55 53.11 3i1m s ASP 32 Cb 0.38 0.58 -0.16 0.00 -0.30 0.00 0.00 42.92 43.42 3i1m s ASP 32 CO -0.26 -1.00 1.38 0.52 -0.17 0.00 0.00 175.17 175.64 3i1m n VAL 33 N -0.39 0.00 -1.75 1.11 0.31 -1.26 -4.60 118.33 111.75 3i1m n VAL 33 Ca -0.10 -0.14 0.00 0.00 -0.01 0.00 0.00 64.34 64.10 3i1m n VAL 33 Cb 0.62 -0.15 0.00 0.00 -0.91 0.00 0.00 33.84 33.40 3i1m n VAL 33 CO 0.00 0.00 0.00 0.59 -1.32 0.00 0.00 176.83 176.10 3i1m n ASN 34 N 4.59 0.00 -3.36 4.52 3.02 -1.26 -5.11 115.26 117.65 3i1m n ASN 34 Ca 0.38 -1.40 -0.18 0.00 -0.03 0.00 0.00 54.58 53.35 3i1m n ASN 34 Cb 0.05 -0.08 0.12 0.00 -0.61 0.00 0.00 39.78 39.25 3i1m n ASN 34 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3i1m n ALA 35 N 0.00 -0.65 0.00 5.41 0.00 -1.26 -5.16 120.51 118.85 3i1m n ALA 35 Ca 0.00 -1.17 0.00 0.00 0.00 0.00 0.00 53.44 52.27 3i1m n ALA 35 Cb 0.58 0.03 0.00 0.00 0.00 0.00 0.00 19.45 20.06 3i1m n ALA 35 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 3i1m n ARG 40 N -2.64 0.00 -1.55 0.00 0.63 -1.26 -5.25 116.66 106.60 3i1m n ARG 40 Ca 0.11 0.00 -0.21 0.00 -0.92 0.00 0.00 57.85 56.83 3i1m n ARG 40 Cb 0.38 0.00 -0.07 0.00 0.45 0.00 0.00 32.46 33.21 3i1m n ARG 40 CO 0.00 0.00 0.00 -2.67 -2.51 0.00 0.00 177.63 172.45 3i1m n TRP 41 N -0.29 1.13 0.17 -0.14 2.14 -1.26 -4.81 117.44 114.39 3i1m n TRP 41 Ca 0.00 0.03 0.19 0.00 2.07 0.00 0.00 57.50 59.79 3i1m n TRP 41 Cb 0.00 -2.46 0.80 0.00 -0.81 0.00 0.00 31.31 28.84 3i1m n TRP 41 CO 0.00 0.00 0.00 -0.97 2.07 0.00 0.00 177.69 178.79 3i1m h ASN 42 N 14.50 0.00 0.00 -0.67 -1.24 -2.01 -2.99 115.58 123.17 3i1m h ASN 42 Ca -0.07 0.00 0.00 0.00 0.71 0.00 0.00 56.30 56.94 3i1m h ASN 42 Cb 1.10 0.00 0.00 0.00 0.73 0.00 0.00 38.32 40.15 3i1m h ASN 42 CO 1.11 0.00 0.00 0.00 -1.29 0.00 0.00 177.43 177.25 3i1m n ALA 43 N -2.27 1.24 -1.00 1.57 0.00 -1.26 -3.58 120.51 115.21 3i1m n ALA 43 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.48 3i1m n ALA 43 Cb 0.47 -0.83 0.00 0.00 0.00 0.00 0.00 19.45 19.09 3i1m n ALA 43 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.50 178.83 3i1m n VAL 44 N -0.68 0.00 -1.32 0.00 0.24 -1.13 -3.34 118.33 112.10 3i1m n VAL 44 Ca 0.00 0.16 -0.40 0.00 -2.04 0.00 0.00 64.34 62.06 3i1m n VAL 44 Cb 0.00 -0.37 -0.03 0.00 -1.47 0.00 0.00 33.84 31.97 3i1m n VAL 44 CO 0.00 0.00 0.00 -0.11 -2.14 0.00 0.00 176.83 174.58 3i1m n LEU 45 N -0.30 5.60 0.00 1.34 7.94 -1.24 -3.25 117.00 127.09 3i1m n LEU 45 Ca 0.00 -3.47 0.00 0.00 -1.11 0.00 0.00 56.01 51.43 3i1m n LEU 45 Cb 0.00 -1.34 0.00 0.00 0.53 0.00 0.00 43.42 42.61 3i1m n LEU 45 CO 0.00 0.50 0.00 0.29 -1.11 0.00 0.00 177.39 177.07 3i1m n LYS 46 N 6.04 0.00 0.00 1.96 4.76 -1.26 -4.79 118.16 124.87 3i1m n LYS 46 Ca 0.52 0.00 0.03 0.00 -2.87 0.00 0.00 58.31 55.99 3i1m n LYS 46 Cb 0.35 -0.01 0.17 0.00 -1.84 0.00 0.00 35.03 33.70 3i1m n LYS 46 CO 0.00 0.00 0.00 -0.11 -1.37 0.00 0.00 177.40 175.92 3i1m n LEU 47 N -2.45 0.00 -3.46 -0.35 0.00 -1.20 -3.94 117.00 105.61 3i1m n LEU 47 Ca 0.00 0.00 -0.36 0.00 0.00 0.00 0.00 56.01 55.65 3i1m n LEU 47 Cb 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 43.42 43.39 3i1m n LEU 47 CO 0.00 0.00 2.48 1.67 0.00 0.00 0.00 177.39 181.54 3i1m n GLN 48 N -0.98 2.25 -3.04 1.96 -0.06 -1.26 -4.34 117.38 111.90 3i1m n GLN 48 Ca 0.04 -1.91 -0.16 0.00 -2.00 0.00 0.00 57.00 52.97 3i1m n GLN 48 Cb 0.02 -2.82 0.00 0.00 -4.06 0.00 0.00 30.24 23.38 3i1m n GLN 48 CO 0.00 0.00 0.00 0.25 -0.20 0.00 0.00 177.06 177.11 3i1m n THR 49 N 4.92 -0.17 -4.46 1.69 -2.24 -1.25 -5.11 114.28 107.65 3i1m n THR 49 Ca 0.52 -3.52 -0.30 0.00 -2.27 0.00 0.00 64.05 58.48 3i1m n THR 49 Cb 0.29 0.12 -0.11 0.00 -2.10 0.00 0.00 70.33 68.52 3i1m n THR 49 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 3i1m s LEU 50 N -2.15 2.79 0.00 3.22 1.43 -1.26 -4.96 118.68 117.74 3i1m s LEU 50 Ca 0.34 -0.42 0.00 0.00 -1.03 0.00 0.00 54.13 53.02 3i1m s LEU 50 Cb 0.31 -1.63 0.00 0.00 0.03 0.00 0.00 46.19 44.90 3i1m s LEU 50 CO -0.08 0.22 0.00 -2.65 0.23 0.00 0.00 176.35 174.07 3i1m n PRO 51 N 1.18 0.00 0.00 1.29 -0.02 -1.26 -4.56 135.00 131.63 3i1m n PRO 51 Ca -0.15 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.33 3i1m n PRO 51 Cb 0.52 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 34.00 3i1m n PRO 51 CO 0.00 0.00 0.00 -2.13 1.98 0.00 0.00 175.50 175.35 3i1m n ARG 52 N 0.00 0.00 0.00 -0.52 3.00 -1.26 -4.84 116.66 113.04 3i1m n ARG 52 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.85 3i1m n ARG 52 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32.46 32.46 3i1m n ARG 52 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.63 177.38 3i1m n ASP 53 N 0.00 0.00 -4.55 6.15 10.43 -1.26 -4.14 116.55 123.18 3i1m n ASP 53 Ca 0.00 0.23 -0.43 0.00 2.57 0.00 0.00 54.79 57.16 3i1m n ASP 53 Cb 0.00 -0.23 -0.00 0.00 1.84 0.00 0.00 41.12 42.73 3i1m n ASP 53 CO 0.00 0.00 0.00 -0.55 -1.07 0.00 0.00 177.20 175.58 3i1m s SER 54 N -2.46 6.90 -0.30 -2.24 0.15 -1.26 -4.31 113.70 110.18 3i1m s SER 54 Ca 0.00 -2.58 -0.20 0.00 0.70 0.00 0.00 55.95 53.86 3i1m s SER 54 Cb 0.00 -2.53 0.20 0.00 -1.71 0.00 0.00 66.02 61.98 3i1m s SER 54 CO 0.00 -1.06 1.35 -0.55 1.20 0.00 0.00 173.24 174.17 3i1m s SER 55 N 3.87 -0.06 0.25 5.45 0.15 -1.26 -4.74 113.70 117.36 3i1m s SER 55 Ca 0.51 0.10 -0.04 0.00 0.70 0.00 0.00 55.95 57.22 3i1m s SER 55 Cb 0.02 0.60 0.40 0.00 -1.71 0.00 0.00 66.02 65.33 3i1m s SER 55 CO 0.06 -0.02 1.81 1.55 1.20 0.00 0.00 173.24 177.84 3i1m h PRO 56 N 4.22 0.77 0.00 5.44 0.13 -1.88 -1.12 132.00 139.56 3i1m h PRO 56 Ca -0.27 -0.05 0.00 0.00 -0.87 0.00 0.00 66.00 64.82 3i1m h PRO 56 Cb 1.17 -0.17 0.00 0.00 0.13 0.00 0.00 31.00 32.13 3i1m h PRO 56 CO 0.21 0.51 0.00 -1.13 -0.23 0.00 0.00 178.00 177.36 3i1m n SER 57 N -4.74 0.00 0.03 1.44 3.41 -1.26 -1.94 113.62 110.56 3i1m n SER 57 Ca 0.14 -0.44 0.11 0.00 -0.26 0.00 0.00 58.87 58.42 3i1m n SER 57 Cb 0.28 -0.05 -0.06 0.00 -0.26 0.00 0.00 64.21 64.12 3i1m n SER 57 CO 0.00 0.00 0.00 -1.14 -0.16 0.00 0.00 175.04 173.74 3i1m n ARG 58 N -1.05 0.44 -1.32 4.33 3.00 -0.42 -4.94 116.66 116.70 3i1m n ARG 58 Ca 0.12 -0.04 -0.31 0.00 -0.00 0.00 0.00 57.85 57.62 3i1m n ARG 58 Cb 0.07 -1.60 0.09 0.00 0.00 0.00 0.00 32.46 31.02 3i1m n ARG 58 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.63 176.98 3i1m s GLN 59 N -3.32 2.35 0.00 -0.14 1.11 -0.82 -5.04 119.66 113.81 3i1m s GLN 59 Ca -0.01 1.16 0.00 0.00 0.01 0.00 0.00 55.36 56.52 3i1m s GLN 59 Cb 0.13 -1.91 0.00 0.00 -1.01 0.00 0.00 33.01 30.23 3i1m s GLN 59 CO 0.84 -1.57 0.00 -2.13 0.01 0.00 0.00 175.29 172.44 3i1m n ARG 60 N -3.42 0.00 0.00 2.91 3.00 -1.26 -5.08 116.66 112.81 3i1m n ARG 60 Ca 0.09 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.94 3i1m n ARG 60 Cb 0.53 -0.32 0.00 0.00 0.00 0.00 0.00 32.46 32.67 3i1m n ARG 60 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.63 177.72 3i1m n ASN 61 N -2.21 0.00 -4.13 6.15 5.03 -1.26 -5.16 115.26 113.68 3i1m n ASN 61 Ca 0.00 0.00 -0.27 0.00 0.87 0.00 0.00 54.58 55.18 3i1m n ASN 61 Cb 0.00 0.00 -0.16 0.00 -1.02 0.00 0.00 39.78 38.60 3i1m n ASN 61 CO 0.00 0.00 0.00 -0.13 -1.83 0.00 0.00 177.26 175.30 3i1m s ARG 62 N -0.68 2.11 -0.28 3.52 0.52 -1.26 -4.62 118.95 118.26 3i1m s ARG 62 Ca 0.00 -0.64 -0.25 0.00 -0.52 0.00 0.00 55.73 54.33 3i1m s ARG 62 Cb 0.00 -1.73 -0.11 0.00 0.52 0.00 0.00 34.95 33.63 3i1m s ARG 62 CO 0.00 0.17 1.16 0.00 0.02 0.00 0.00 175.30 176.66 3i1m h ARG 64 N 4.80 0.00 0.00 0.00 9.65 -1.44 -0.39 114.38 127.00 3i1m h ARG 64 Ca -0.07 0.00 -0.09 0.00 -1.10 0.00 0.00 59.98 58.72 3i1m h ARG 64 Cb 0.79 0.00 -0.01 0.00 -1.39 0.00 0.00 29.97 29.36 3i1m h ARG 64 CO 0.60 0.00 -0.76 1.96 2.80 0.00 0.00 179.97 184.57 3i1m h GLN 65 N 0.00 0.00 0.00 0.20 4.20 -1.84 -3.44 115.11 114.23 3i1m h GLN 65 Ca 0.12 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.83 3i1m h GLN 65 Cb 0.57 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.35 3i1m h GLN 65 CO -0.00 0.41 -0.11 1.79 -0.67 0.00 0.00 178.83 180.25 3i1m h THR 66 N -1.00 0.00 0.00 -0.54 1.35 -1.88 -3.49 112.91 107.34 3i1m h THR 66 Ca -0.14 -0.92 0.00 0.00 -0.55 0.00 0.00 66.41 64.80 3i1m h THR 66 Cb 0.80 0.00 0.00 0.00 -1.73 0.00 0.00 68.15 67.22 3i1m h THR 66 CO -0.08 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 175.80 3i1m n GLY 67 N 1.76 1.46 3.70 5.82 0.00 -0.17 -3.09 105.19 114.66 3i1m n GLY 67 Ca -0.01 0.00 -0.61 0.00 0.00 0.00 0.00 46.02 45.39 3i1m n GLY 67 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 3i1m n ARG 68 N 0.00 0.60 -0.51 1.61 0.63 -1.26 -4.13 116.66 113.59 3i1m n ARG 68 Ca 0.00 0.22 0.02 0.00 -0.92 0.00 0.00 57.85 57.17 3i1m n ARG 68 Cb 0.00 -1.81 0.21 0.00 0.45 0.00 0.00 32.46 31.31 3i1m n ARG 68 CO 0.00 0.00 0.00 -0.35 -2.51 0.00 0.00 177.63 174.77 3i1m n PRO 69 N 4.23 3.02 -4.26 -0.14 -0.04 -1.26 -1.43 135.00 135.12 3i1m n PRO 69 Ca 0.27 -1.73 -0.20 0.00 -0.04 0.00 0.00 63.50 61.79 3i1m n PRO 69 Cb 0.06 -1.90 -0.12 0.00 -0.04 0.00 0.00 33.50 31.50 3i1m n PRO 69 CO 0.00 0.00 0.00 -1.01 -0.04 0.00 0.00 175.50 174.45 3i1m s HIS 70 N -1.96 1.57 -0.75 0.54 3.76 -1.26 -4.78 115.29 112.41 3i1m s HIS 70 Ca 0.30 -0.49 0.00 0.00 -0.15 0.00 0.00 55.06 54.73 3i1m s HIS 70 Cb 0.23 -0.83 0.00 0.00 1.11 0.00 0.00 32.58 33.10 3i1m s HIS 70 CO 0.08 0.19 0.00 0.41 -0.85 0.00 0.00 174.74 174.58 3i1m n GLY 71 N 0.72 0.87 3.72 -2.22 0.00 -1.26 -4.67 105.19 102.34 3i1m n GLY 71 Ca -0.17 -0.32 -0.36 0.00 0.00 0.00 0.00 46.02 45.17 3i1m n GLY 71 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 3i1m n PHE 72 N -2.60 1.71 -3.75 1.61 -0.00 -1.26 -2.20 117.46 110.97 3i1m n PHE 72 Ca -0.07 0.42 -0.24 0.00 -0.00 0.00 0.00 57.45 57.56 3i1m n PHE 72 Cb 0.33 -2.21 -0.17 0.00 -0.00 0.00 0.00 39.48 37.43 3i1m n PHE 72 CO 0.00 0.00 0.00 -0.51 -0.00 0.00 0.00 176.76 176.25 3i1m s LEU 73 N -4.79 0.62 0.12 -2.13 1.43 -0.68 -4.89 118.68 108.36 3i1m s LEU 73 Ca 0.80 -0.20 -0.29 0.00 -1.03 0.00 0.00 54.13 53.40 3i1m s LEU 73 Cb -0.35 -0.43 -0.08 0.00 0.03 0.00 0.00 46.19 45.36 3i1m s LEU 73 CO 0.44 -0.22 1.60 0.03 0.23 0.00 0.00 176.35 178.43 3i1m h ARG 74 N 8.33 -0.55 -0.93 1.70 2.47 -1.96 0.43 114.38 123.87 3i1m h ARG 74 Ca -0.18 0.04 0.38 0.00 -1.26 0.00 0.00 59.98 58.95 3i1m h ARG 74 Cb 1.12 0.12 -0.17 0.00 -1.65 0.00 0.00 29.97 29.40 3i1m h ARG 74 CO 0.26 -0.37 0.45 1.17 0.56 0.00 0.00 179.97 182.05 3i1m n LYS 75 N -5.44 -0.06 -0.00 0.04 3.00 -1.26 -2.07 118.16 112.37 3i1m n LYS 75 Ca -0.06 1.29 0.03 0.00 -0.00 0.00 0.00 58.31 59.56 3i1m n LYS 75 Cb 0.35 -2.29 -0.04 0.00 0.00 0.00 0.00 35.03 33.05 3i1m n LYS 75 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.40 178.59 3i1m n PHE 76 N -5.12 0.00 -2.52 5.64 3.01 -0.96 -5.02 117.46 112.49 3i1m n PHE 76 Ca 0.34 0.00 -0.14 0.00 1.01 0.00 0.00 57.45 58.66 3i1m n PHE 76 Cb 1.15 -0.12 0.01 0.00 -0.01 0.00 0.00 39.48 40.51 3i1m n PHE 76 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 3i1m n GLY 77 N 2.09 -0.13 3.21 1.37 0.00 0.15 -4.96 105.19 106.91 3i1m n GLY 77 Ca -0.01 -0.26 -0.12 0.00 0.00 0.00 0.00 46.02 45.63 3i1m n GLY 77 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3i1m s LEU 78 N -4.16 1.18 -0.05 0.99 1.43 -1.23 -1.07 118.68 115.76 3i1m s LEU 78 Ca 0.10 -1.41 -0.11 0.00 -1.03 0.00 0.00 54.13 51.69 3i1m s LEU 78 Cb -0.05 0.39 -0.05 0.00 0.03 0.00 0.00 46.19 46.52 3i1m s LEU 78 CO 0.13 -0.85 0.28 -0.44 0.23 0.00 0.00 176.35 175.70 3i1m s SER 79 N -3.17 6.62 0.13 2.29 0.01 -1.26 -1.68 113.70 116.63 3i1m s SER 79 Ca 0.39 0.73 -0.02 0.00 1.31 0.00 0.00 55.95 58.36 3i1m s SER 79 Cb 0.07 -2.17 0.24 0.00 0.21 0.00 0.00 66.02 64.37 3i1m s SER 79 CO 0.13 0.36 0.68 -2.11 0.41 0.00 0.00 173.24 172.71 3i1m n ARG 80 N 1.88 -0.04 0.00 12.44 1.85 -0.93 -1.48 116.66 130.37 3i1m n ARG 80 Ca -0.17 0.67 0.00 0.00 -1.00 0.00 0.00 57.85 57.36 3i1m n ARG 80 Cb 0.54 -1.02 0.00 0.00 -1.05 0.00 0.00 32.46 30.92 3i1m n ARG 80 CO 0.00 0.00 0.00 -0.89 -0.01 0.00 0.00 177.63 176.73 3i1m n ILE 81 N -4.64 0.00 0.29 8.89 5.41 -1.26 -0.95 119.36 127.10 3i1m n ILE 81 Ca 0.08 1.08 0.17 0.00 1.00 0.00 0.00 62.75 65.08 3i1m n ILE 81 Cb 0.25 -1.85 0.93 0.00 -0.71 0.00 0.00 39.64 38.26 3i1m n ILE 81 CO 0.00 0.00 0.00 0.11 0.00 0.00 0.00 176.55 176.66 3i1m h LYS 82 N 0.00 0.00 0.54 0.38 1.79 -1.67 0.39 116.57 118.00 3i1m h LYS 82 Ca 0.00 0.00 -0.03 0.00 -2.18 0.00 0.00 60.65 58.44 3i1m h LYS 82 Cb 0.00 0.00 0.01 0.00 -1.58 0.00 0.00 32.23 30.66 3i1m h LYS 82 CO 0.00 0.00 -0.26 0.28 -1.08 0.00 0.00 179.45 178.39 3i1m h VAL 83 N 0.00 0.00 -0.76 0.50 2.07 -1.01 -2.37 116.25 114.67 3i1m h VAL 83 Ca 0.00 -0.14 0.14 0.00 0.82 0.00 0.00 66.70 67.51 3i1m h VAL 83 Cb 0.21 0.00 -0.05 0.00 -1.52 0.00 0.00 31.29 29.93 3i1m h VAL 83 CO 0.00 0.00 0.50 -0.09 0.02 0.00 0.00 177.57 178.00 3i1m h ARG 84 N -0.87 0.48 -0.28 1.57 2.43 0.21 0.39 114.38 118.31 3i1m h ARG 84 Ca -0.07 -0.03 -0.06 0.00 -0.81 0.00 0.00 59.98 59.01 3i1m h ARG 84 Cb 0.56 -0.11 -0.02 0.00 -0.42 0.00 0.00 29.97 29.98 3i1m h ARG 84 CO 0.12 0.32 -0.09 0.93 -1.51 0.00 0.00 179.97 179.74 3i1m h GLU 85 N 0.49 0.45 0.00 0.20 4.39 -0.94 -1.38 114.58 117.79 3i1m h GLU 85 Ca 0.37 -0.11 -0.04 0.00 0.34 0.00 0.00 59.36 59.92 3i1m h GLU 85 Cb 0.75 -0.06 -0.01 0.00 -0.10 0.00 0.00 28.75 29.33 3i1m h GLU 85 CO -0.13 0.55 -1.31 0.00 -1.16 0.00 0.00 179.01 176.96 3i1m n ALA 86 N -2.48 2.44 0.17 3.43 0.00 -0.57 -3.94 120.51 119.55 3i1m n ALA 86 Ca 0.01 -0.37 0.02 0.00 0.00 0.00 0.00 53.44 53.09 3i1m n ALA 86 Cb 0.29 -0.99 0.34 0.00 0.00 0.00 0.00 19.45 19.09 3i1m n ALA 86 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3i1m h ALA 87 N 1.87 1.36 -0.23 0.00 0.00 0.35 -2.79 119.26 119.81 3i1m h ALA 87 Ca -0.05 -0.34 0.00 0.00 0.00 0.00 0.00 54.91 54.53 3i1m h ALA 87 Cb 1.14 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.87 3i1m h ALA 87 CO 0.01 0.47 0.00 -1.33 0.00 0.00 0.00 179.25 178.40 3i1m n MET 88 N -4.10 2.45 -0.17 0.00 2.00 -0.58 -3.52 117.12 113.21 3i1m n MET 88 Ca -0.02 -1.21 0.01 0.00 0.00 0.00 0.00 57.70 56.48 3i1m n MET 88 Cb 0.41 -1.75 0.01 0.00 0.00 0.00 0.00 33.22 31.88 3i1m n MET 88 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 175.97 176.51 3i1m n ARG 89 N 0.25 0.40 0.00 0.03 1.74 -1.05 -5.08 116.66 112.96 3i1m n ARG 89 Ca 0.11 -0.91 0.00 0.00 -0.77 0.00 0.00 57.85 56.28 3i1m n ARG 89 Cb 0.59 -0.62 0.00 0.00 -1.02 0.00 0.00 32.46 31.41 3i1m n ARG 89 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3i1m n GLY 90 N -0.15 1.41 5.00 -0.13 0.00 -1.23 -4.94 105.19 105.15 3i1m n GLY 90 Ca 0.01 -0.62 0.00 0.00 0.00 0.00 0.00 46.02 45.41 3i1m n GLY 90 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3i1m n GLU 91 N 1.52 0.00 -2.97 1.61 -0.58 -1.25 -4.31 120.64 114.65 3i1m n GLU 91 Ca 0.00 0.00 -0.43 0.00 -0.42 0.00 0.00 57.16 56.31 3i1m n GLU 91 Cb 0.00 0.00 -0.05 0.00 -0.57 0.00 0.00 31.44 30.82 3i1m n GLU 91 CO 0.00 0.00 0.00 0.42 -0.48 0.00 0.00 177.13 177.07 3i1m s ILE 92 N 0.00 4.60 0.42 -3.67 1.01 -1.25 -5.04 121.20 117.27 3i1m s ILE 92 Ca 0.00 -0.05 -0.26 0.00 0.00 0.00 0.00 60.65 60.34 3i1m s ILE 92 Cb 0.00 -4.44 -0.10 0.00 0.01 0.00 0.00 42.46 37.94 3i1m s ILE 92 CO 0.00 -0.98 1.31 -2.65 0.00 0.00 0.00 174.94 172.62 3i1m n PRO 93 N 6.91 2.03 -0.38 2.79 -0.02 -1.26 -2.53 135.00 142.54 3i1m n PRO 93 Ca -0.02 0.72 0.00 0.00 -2.02 0.00 0.00 63.50 62.18 3i1m n PRO 93 Cb 0.47 -2.45 0.00 0.00 -0.02 0.00 0.00 33.50 31.50 3i1m n PRO 93 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3i1m n GLY 94 N 0.75 1.19 3.63 -1.23 0.00 -1.26 -4.94 105.19 103.32 3i1m n GLY 94 Ca 0.06 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.69 3i1m n GLY 94 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3i1m s LEU 95 N 0.00 4.08 0.04 0.99 2.96 -1.05 -5.04 118.68 120.66 3i1m s LEU 95 Ca 0.00 0.51 -0.15 0.00 -0.22 0.00 0.00 54.13 54.26 3i1m s LEU 95 Cb 0.00 -2.61 0.03 0.00 0.50 0.00 0.00 46.19 44.10 3i1m s LEU 95 CO 0.00 -0.23 0.34 -1.59 -1.32 0.00 0.00 176.35 173.55 3i1m s LYS 96 N 2.04 0.85 0.12 1.98 0.00 -1.26 -4.92 119.74 118.56 3i1m s LYS 96 Ca 0.20 -0.46 -0.31 0.00 0.00 0.00 0.00 55.97 55.41 3i1m s LYS 96 Cb -0.15 0.37 -0.10 0.00 0.00 0.00 0.00 37.83 37.94 3i1m s LYS 96 CO 0.09 -0.28 1.83 0.15 0.00 0.00 0.00 175.35 177.14 3i1m s LYS 97 N -2.52 4.14 0.37 1.78 1.02 -1.26 -4.96 119.74 118.30 3i1m s LYS 97 Ca -0.05 2.60 0.08 0.00 0.02 0.00 0.00 55.97 58.61 3i1m s LYS 97 Cb -0.01 -3.59 -0.03 0.00 -0.52 0.00 0.00 37.83 33.68 3i1m s LYS 97 CO -0.03 -0.84 0.29 0.00 -0.92 0.00 0.00 175.35 173.85 3i1m s ALA 98 N 2.72 3.84 -0.07 5.17 0.00 -1.26 -5.13 121.76 127.03 3i1m s ALA 98 Ca 0.81 -1.80 -0.30 0.00 0.00 0.00 0.00 51.96 50.67 3i1m s ALA 98 Cb -0.46 -0.98 0.09 0.00 0.00 0.00 0.00 23.12 21.76 3i1m s ALA 98 CO 0.36 -0.08 0.78 -1.54 0.00 0.00 0.00 175.76 175.29 3i1m s SER 99 N -4.01 -0.55 0.00 0.00 1.04 -1.26 -5.34 113.70 103.58 3i1m s SER 99 Ca 0.43 0.54 0.00 0.00 0.48 0.00 0.00 55.95 57.40 3i1m s SER 99 Cb -0.04 0.46 0.00 0.00 0.10 0.00 0.00 66.02 66.55 3i1m s SER 99 CO 0.26 -0.55 0.00 -2.67 0.98 0.00 0.00 173.24 171.26