#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2csf s SER 2 N 0.00 4.33 -0.91 1.61 0.15 -1.26 -5.07 113.70 112.54 2csf s SER 2 Ca 0.00 -0.28 -0.02 0.00 0.70 0.00 0.00 55.95 56.35 2csf s SER 2 Cb 0.00 -0.89 0.22 0.00 -1.71 0.00 0.00 66.02 63.65 2csf s SER 2 CO 0.00 0.25 0.81 -0.44 1.20 0.00 0.00 173.24 175.06 2csf s SER 3 N -1.61 6.09 -0.46 5.45 0.01 -1.26 -4.92 113.70 117.00 2csf s SER 3 Ca 0.17 -3.74 0.06 0.00 1.31 0.00 0.00 55.95 53.76 2csf s SER 3 Cb -0.11 -1.93 0.22 0.00 0.21 0.00 0.00 66.02 64.42 2csf s SER 3 CO 0.08 -0.18 0.51 0.61 0.41 0.00 0.00 173.24 174.67 2csf n GLY 4 N 2.32 3.10 3.41 3.44 0.00 -1.26 -5.07 105.19 111.13 2csf n GLY 4 Ca 0.22 -1.79 -0.44 0.00 0.00 0.00 0.00 46.02 44.01 2csf n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2csf s SER 5 N -1.12 6.19 0.13 1.61 1.04 -1.26 -4.96 113.70 115.33 2csf s SER 5 Ca 0.35 -1.18 -0.28 0.00 0.48 0.00 0.00 55.95 55.32 2csf s SER 5 Cb 0.12 -2.24 -0.05 0.00 0.10 0.00 0.00 66.02 63.94 2csf s SER 5 CO -0.12 -0.82 1.60 0.28 0.98 0.00 0.00 173.24 175.16 2csf h SER 6 N 8.91 -1.15 -5.00 7.02 0.02 -2.04 -3.48 113.55 117.83 2csf h SER 6 Ca -0.28 0.15 0.00 0.00 -0.84 0.00 0.00 61.79 60.82 2csf h SER 6 Cb 1.10 0.46 0.00 0.00 0.14 0.00 0.00 62.40 64.10 2csf h SER 6 CO 0.95 -0.41 0.00 0.61 -1.14 0.00 0.00 176.83 176.83 2csf n GLY 7 N -1.43 2.44 3.70 -3.77 0.00 -1.26 -5.00 105.19 99.87 2csf n GLY 7 Ca -0.05 -1.77 -0.42 0.00 0.00 0.00 0.00 46.02 43.78 2csf n GLY 7 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2csf s PRO 8 N -3.83 4.31 -0.14 1.61 0.04 -1.26 -4.99 135.00 130.73 2csf s PRO 8 Ca 0.00 2.03 -0.26 0.00 0.04 0.00 0.00 61.00 62.81 2csf s PRO 8 Cb 0.00 -3.39 -0.02 0.00 0.04 0.00 0.00 34.50 31.13 2csf s PRO 8 CO 0.00 -0.49 0.86 0.42 0.04 0.00 0.00 177.00 177.83 2csf s ILE 9 N 1.67 4.88 -0.11 0.56 -1.09 -1.26 -5.04 121.20 120.80 2csf s ILE 9 Ca 0.64 1.71 0.01 0.00 -2.23 0.00 0.00 60.65 60.78 2csf s ILE 9 Cb -0.35 -4.17 0.02 0.00 -1.58 0.00 0.00 42.46 36.39 2csf s ILE 9 CO 0.29 0.05 -0.10 -1.59 -1.23 0.00 0.00 174.94 172.35 2csf s LYS 10 N 1.97 1.75 -0.04 2.79 0.00 -1.26 -5.12 119.74 119.83 2csf s LYS 10 Ca 0.41 -0.37 0.02 0.00 0.00 0.00 0.00 55.97 56.02 2csf s LYS 10 Cb -0.17 -1.66 0.01 0.00 0.00 0.00 0.00 37.83 36.02 2csf s LYS 10 CO 0.14 -0.18 -0.07 0.14 0.00 0.00 0.00 175.35 175.39 2csf s VAL 11 N 1.37 0.66 -0.25 1.79 -7.23 -1.26 -5.03 120.40 110.45 2csf s VAL 11 Ca -0.01 -0.23 0.14 0.00 -1.81 0.00 0.00 61.98 60.07 2csf s VAL 11 Cb -0.14 -0.64 0.47 0.00 0.56 0.00 0.00 36.38 36.63 2csf s VAL 11 CO -0.05 0.24 1.16 -0.90 -0.31 0.00 0.00 175.10 175.24 2csf n ASP 12 N 3.76 3.18 0.00 4.85 5.68 -1.26 -4.83 116.55 127.92 2csf n ASP 12 Ca -0.23 -3.05 0.00 0.00 -0.50 0.00 0.00 54.79 51.01 2csf n ASP 12 Cb 0.52 -0.40 0.00 0.00 -1.14 0.00 0.00 41.12 40.10 2csf n ASP 12 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2csf n GLY 13 N -0.63 -0.15 0.34 6.12 0.00 -1.26 -5.00 105.19 104.62 2csf n GLY 13 Ca 0.26 0.01 -0.13 0.00 0.00 0.00 0.00 46.02 46.16 2csf n GLY 13 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2csf h ALA 14 N 0.00 -0.55 -2.76 4.61 0.00 -1.99 -3.46 119.26 115.11 2csf h ALA 14 Ca 0.00 -0.05 0.02 0.00 0.00 0.00 0.00 54.91 54.88 2csf h ALA 14 Cb 0.00 0.54 -0.13 0.00 0.00 0.00 0.00 17.79 18.20 2csf h ALA 14 CO 0.00 -0.87 0.30 -0.80 0.00 0.00 0.00 179.25 177.89 2csf s ASN 15 N -4.77 -0.50 -0.25 0.00 0.01 -1.26 -5.15 114.94 103.01 2csf s ASN 15 Ca -0.16 -0.01 -0.09 0.00 -0.71 0.00 0.00 52.86 51.89 2csf s ASN 15 Cb 0.08 0.53 -0.04 0.00 0.41 0.00 0.00 41.25 42.23 2csf s ASN 15 CO 0.65 -0.86 0.13 -0.63 -1.51 0.00 0.00 177.10 174.87 2csf s ILE 16 N -3.55 4.90 -0.63 0.60 1.01 -1.26 -4.67 121.20 117.60 2csf s ILE 16 Ca 0.02 0.03 -0.21 0.00 0.00 0.00 0.00 60.65 60.49 2csf s ILE 16 Cb -0.01 -3.30 0.09 0.00 0.01 0.00 0.00 42.46 39.25 2csf s ILE 16 CO -0.11 0.32 0.84 0.21 0.00 0.00 0.00 174.94 176.19 2csf s ASN 17 N 1.48 6.18 0.09 3.58 2.47 -1.26 -5.03 114.94 122.45 2csf s ASN 17 Ca 0.06 -1.22 -0.29 0.00 0.42 0.00 0.00 52.86 51.84 2csf s ASN 17 Cb -0.15 -2.36 -0.06 0.00 -1.45 0.00 0.00 41.25 37.23 2csf s ASN 17 CO 0.06 -1.28 0.91 -0.63 -3.72 0.00 0.00 177.10 172.44 2csf s ILE 18 N 3.38 4.58 0.10 -5.21 -1.09 -1.26 -5.06 121.20 116.64 2csf s ILE 18 Ca 0.17 1.95 0.04 0.00 -2.23 0.00 0.00 60.65 60.58 2csf s ILE 18 Cb -0.20 -4.26 -0.04 0.00 -1.58 0.00 0.00 42.46 36.38 2csf s ILE 18 CO 0.08 0.33 -0.11 0.42 -1.23 0.00 0.00 174.94 174.43 2csf s THR 19 N 0.01 1.03 0.37 2.92 -4.23 -1.26 -4.78 115.64 109.70 2csf s THR 19 Ca 0.45 -1.65 0.18 0.00 -1.18 0.00 0.00 61.69 59.49 2csf s THR 19 Cb -0.22 -1.39 0.38 0.00 1.34 0.00 0.00 72.50 72.60 2csf s THR 19 CO 0.28 -0.52 1.70 0.00 -0.54 0.00 0.00 174.62 175.54 2csf h ALA 20 N 3.57 2.16 -1.30 3.99 0.00 -1.89 0.26 119.26 126.05 2csf h ALA 20 Ca -0.38 0.12 0.39 0.00 0.00 0.00 0.00 54.91 55.05 2csf h ALA 20 Cb 1.19 0.10 -0.10 0.00 0.00 0.00 0.00 17.79 18.98 2csf h ALA 20 CO 0.52 -0.69 0.87 0.00 0.00 0.00 0.00 179.25 179.95 2csf h ALA 21 N 1.71 2.80 -1.11 0.00 0.00 -1.98 0.11 119.26 120.80 2csf h ALA 21 Ca 0.69 0.06 0.42 0.00 0.00 0.00 0.00 54.91 56.07 2csf h ALA 21 Cb 1.71 0.14 -0.16 0.00 0.00 0.00 0.00 17.79 19.47 2csf h ALA 21 CO -0.44 -1.32 0.65 0.97 0.00 0.00 0.00 179.25 179.10 2csf h ILE 22 N 0.14 0.07 -0.07 0.00 2.10 -0.89 0.61 117.51 119.47 2csf h ILE 22 Ca 0.74 -0.02 -0.00 0.00 1.08 0.00 0.00 64.86 66.65 2csf h ILE 22 Cb 2.40 -0.00 -0.00 0.00 -1.09 0.00 0.00 36.82 38.12 2csf h ILE 22 CO -0.28 0.01 0.03 1.88 -1.08 0.00 0.00 178.15 178.71 2csf h TYR 23 N 0.06 0.10 -0.02 2.19 0.05 -0.98 -2.37 116.97 116.01 2csf h TYR 23 Ca 0.83 -0.01 0.01 0.00 0.05 0.00 0.00 58.73 59.62 2csf h TYR 23 Cb 2.31 -0.03 -0.01 0.00 1.01 0.00 0.00 36.73 40.01 2csf h TYR 23 CO -0.01 0.22 -0.04 -0.44 -1.05 0.00 0.00 178.16 176.84 2csf h ASP 24 N -0.05 -0.10 -0.90 3.88 5.19 0.02 -2.39 116.42 122.06 2csf h ASP 24 Ca 0.02 0.02 0.17 0.00 -0.62 0.00 0.00 57.03 56.62 2csf h ASP 24 Cb 0.16 0.05 -0.10 0.00 0.18 0.00 0.00 39.33 39.62 2csf h ASP 24 CO -0.00 -0.05 0.49 -0.33 -3.12 0.00 0.00 179.24 176.22 2csf h GLU 25 N -0.06 0.63 -0.85 3.56 5.08 -1.20 0.32 114.58 122.06 2csf h GLU 25 Ca 0.02 -0.04 -0.02 0.00 -1.00 0.00 0.00 59.36 58.33 2csf h GLU 25 Cb 0.08 -0.14 -0.04 0.00 0.50 0.00 0.00 28.75 29.15 2csf h GLU 25 CO -0.05 0.41 0.47 0.82 -1.00 0.00 0.00 179.01 179.66 2csf h ILE 26 N 0.64 1.25 0.50 3.13 2.04 -0.94 0.30 117.51 124.43 2csf h ILE 26 Ca 0.51 -0.62 -0.02 0.00 1.00 0.00 0.00 64.86 65.73 2csf h ILE 26 Cb 0.78 0.11 0.00 0.00 -0.74 0.00 0.00 36.82 36.97 2csf h ILE 26 CO -0.39 0.28 -0.24 1.56 0.00 0.00 0.00 178.15 179.36 2csf h GLN 27 N 1.18 -0.64 0.08 2.37 4.20 -0.52 -2.61 115.11 119.17 2csf h GLN 27 Ca 0.30 0.04 -0.00 0.00 0.06 0.00 0.00 58.65 59.05 2csf h GLN 27 Cb 0.03 0.15 0.00 0.00 0.30 0.00 0.00 27.48 27.96 2csf h GLN 27 CO -0.05 -0.41 -0.04 1.96 -0.67 0.00 0.00 178.83 179.63 2csf h GLN 28 N -0.71 -0.10 -1.31 1.46 4.20 -1.28 -2.82 115.11 114.55 2csf h GLN 28 Ca -0.07 0.01 0.41 0.00 0.06 0.00 0.00 58.65 59.06 2csf h GLN 28 Cb 0.53 0.02 -0.11 0.00 0.30 0.00 0.00 27.48 28.22 2csf h GLN 28 CO 0.11 0.13 0.86 1.49 -0.67 0.00 0.00 178.83 180.75 2csf h GLU 29 N -0.33 0.12 0.04 1.46 4.57 -0.41 0.81 114.58 120.83 2csf h GLU 29 Ca -0.01 -0.01 -0.00 0.00 -1.18 0.00 0.00 59.36 58.16 2csf h GLU 29 Cb 0.29 -0.03 0.00 0.00 -0.16 0.00 0.00 28.75 28.85 2csf h GLU 29 CO 0.02 0.08 -0.02 0.52 -1.18 0.00 0.00 179.01 178.43 2csf h MET 30 N 0.13 -0.05 0.00 1.92 2.86 -1.20 -0.00 114.93 118.58 2csf h MET 30 Ca 0.77 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 58.42 2csf h MET 30 Cb 2.45 0.01 0.00 0.00 0.06 0.00 0.00 31.60 34.12 2csf h MET 30 CO -0.35 -0.03 0.35 1.57 1.06 0.00 0.00 176.91 179.51 2csf h LYS 31 N -0.08 0.00 0.04 1.72 5.09 -1.27 0.89 116.57 122.97 2csf h LYS 31 Ca -0.01 0.00 -0.30 0.00 0.09 0.00 0.00 60.65 60.43 2csf h LYS 31 Cb 0.04 0.00 -0.04 0.00 0.10 0.00 0.00 32.23 32.34 2csf h LYS 31 CO 0.01 0.00 -1.69 -0.09 -2.09 0.00 0.00 179.45 175.59 2csf h ARG 32 N 0.00 0.09 -0.00 0.07 9.65 -0.77 -3.35 114.38 120.07 2csf h ARG 32 Ca 0.00 -0.16 0.00 0.00 -1.10 0.00 0.00 59.98 58.72 2csf h ARG 32 Cb 0.70 0.06 0.00 0.00 -1.39 0.00 0.00 29.97 29.34 2csf h ARG 32 CO 0.00 0.77 -0.72 0.00 2.80 0.00 0.00 179.97 182.82 2csf n ALA 33 N -2.65 4.12 -2.94 2.80 0.00 0.19 -4.97 120.51 117.06 2csf n ALA 33 Ca -0.19 -0.54 -0.10 0.00 0.00 0.00 0.00 53.44 52.62 2csf n ALA 33 Cb 1.04 -0.88 0.03 0.00 0.00 0.00 0.00 19.45 19.64 2csf n ALA 33 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 2csf n LYS 34 N -1.14 -3.27 -4.62 0.00 4.76 0.25 -4.99 118.16 109.16 2csf n LYS 34 Ca 0.06 0.34 -0.28 0.00 -2.87 0.00 0.00 58.31 55.56 2csf n LYS 34 Cb 0.36 -3.89 -0.11 0.00 -1.84 0.00 0.00 35.03 29.56 2csf n LYS 34 CO 0.00 0.00 0.00 0.14 -1.37 0.00 0.00 177.40 176.17 2csf s VAL 35 N -3.13 1.86 0.19 -0.18 -7.23 -1.06 -5.02 120.40 105.82 2csf s VAL 35 Ca 0.24 -2.00 0.08 0.00 -1.81 0.00 0.00 61.98 58.48 2csf s VAL 35 Cb -0.10 -2.91 -0.04 0.00 0.56 0.00 0.00 36.38 33.89 2csf s VAL 35 CO 0.30 0.00 -0.00 -0.55 -0.31 0.00 0.00 175.10 174.54 2csf s SER 36 N -3.71 4.73 0.52 4.85 0.15 -1.26 -4.45 113.70 114.53 2csf s SER 36 Ca 0.32 -0.44 0.39 0.00 0.70 0.00 0.00 55.95 56.93 2csf s SER 36 Cb 0.09 -0.99 1.56 0.00 -1.71 0.00 0.00 66.02 64.98 2csf s SER 36 CO 0.16 0.07 1.69 1.56 1.20 0.00 0.00 173.24 177.92 2csf h GLN 37 N 2.57 0.05 -0.31 5.44 4.20 -1.97 0.87 115.11 125.97 2csf h GLN 37 Ca -0.47 -0.00 -0.14 0.00 0.06 0.00 0.00 58.65 58.10 2csf h GLN 37 Cb 1.21 -0.01 -0.00 0.00 0.30 0.00 0.00 27.48 28.98 2csf h GLN 37 CO 0.58 0.03 -0.37 0.00 -0.67 0.00 0.00 178.83 178.40 2csf h ALA 38 N 1.32 0.46 0.29 3.87 0.00 -1.93 -2.68 119.26 120.58 2csf h ALA 38 Ca 0.75 -0.44 -0.01 0.00 0.00 0.00 0.00 54.91 55.20 2csf h ALA 38 Cb 2.81 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 20.51 2csf h ALA 38 CO -0.11 0.54 -0.14 1.25 0.00 0.00 0.00 179.25 180.80 2csf h LEU 39 N 0.56 -0.33 -1.27 0.00 5.85 0.34 -1.14 115.31 119.32 2csf h LEU 39 Ca 0.04 0.01 0.38 0.00 0.84 0.00 0.00 57.88 59.15 2csf h LEU 39 Cb 0.96 0.09 -0.13 0.00 0.37 0.00 0.00 40.66 41.94 2csf h LEU 39 CO 0.09 -0.04 0.73 0.15 -0.34 0.00 0.00 178.44 179.03 2csf h PHE 40 N -0.79 0.67 0.00 1.25 3.04 -1.33 1.79 116.94 121.57 2csf h PHE 40 Ca -0.04 0.03 -0.13 0.00 3.98 0.00 0.00 57.97 61.81 2csf h PHE 40 Cb 0.30 -0.17 -0.02 0.00 2.56 0.00 0.00 35.95 38.62 2csf h PHE 40 CO 0.03 -0.18 -0.61 0.00 -2.02 0.00 0.00 178.31 175.54 2csf h ALA 41 N 1.69 0.62 0.00 2.41 0.00 -1.51 0.94 119.26 123.41 2csf h ALA 41 Ca 0.76 -0.55 -0.14 0.00 0.00 0.00 0.00 54.91 54.98 2csf h ALA 41 Cb 2.15 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 19.83 2csf h ALA 41 CO -0.47 0.76 -0.83 -0.22 0.00 0.00 0.00 179.25 178.49 2csf h LYS 42 N 0.00 0.00 0.00 0.00 3.11 0.37 1.55 116.57 121.61 2csf h LYS 42 Ca -0.01 0.00 0.00 0.00 -2.81 0.00 0.00 60.65 57.83 2csf h LYS 42 Cb 1.45 0.00 0.00 0.00 -1.00 0.00 0.00 32.23 32.68 2csf h LYS 42 CO 0.08 0.51 -1.27 1.33 -2.81 0.00 0.00 179.45 177.29 2csf n VAL 43 N -3.15 0.00 -0.07 2.00 0.24 0.19 -3.30 118.33 114.23 2csf n VAL 43 Ca -0.02 -0.18 -0.07 0.00 -2.04 0.00 0.00 64.34 62.03 2csf n VAL 43 Cb 0.80 0.67 -0.02 0.00 -1.47 0.00 0.00 33.84 33.81 2csf n VAL 43 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2csf n ALA 44 N -1.72 0.78 0.66 2.33 0.00 0.32 -4.74 120.51 118.15 2csf n ALA 44 Ca 0.01 -0.71 0.07 0.00 0.00 0.00 0.00 53.44 52.81 2csf n ALA 44 Cb 0.38 0.03 -0.01 0.00 0.00 0.00 0.00 19.45 19.85 2csf n ALA 44 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2csf n ALA 45 N -4.13 3.20 -1.97 0.00 0.00 -0.72 -4.38 120.51 112.52 2csf n ALA 45 Ca -0.12 -0.50 -0.19 0.00 0.00 0.00 0.00 53.44 52.64 2csf n ALA 45 Cb 0.43 -0.52 -0.04 0.00 0.00 0.00 0.00 19.45 19.31 2csf n ALA 45 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 2csf n ASN 46 N -0.29 -5.32 -4.59 0.00 5.15 0.50 -4.93 115.26 105.77 2csf n ASN 46 Ca 0.06 0.21 -0.18 0.00 -0.60 0.00 0.00 54.58 54.07 2csf n ASN 46 Cb 0.30 -4.42 0.06 0.00 -0.53 0.00 0.00 39.78 35.20 2csf n ASN 46 CO 0.00 0.00 0.00 0.29 1.40 0.00 0.00 177.26 178.95 2csf n LYS 47 N -2.63 0.59 -3.48 1.20 4.76 0.52 -4.83 118.16 114.30 2csf n LYS 47 Ca -0.20 -2.76 -0.33 0.00 -2.87 0.00 0.00 58.31 52.15 2csf n LYS 47 Cb 0.64 -0.24 -0.05 0.00 -1.84 0.00 0.00 35.03 33.53 2csf n LYS 47 CO 0.00 0.00 0.00 -1.12 -1.37 0.00 0.00 177.40 174.91 2csf s SER 48 N -4.24 6.63 0.23 4.39 0.01 -1.26 -3.61 113.70 115.84 2csf s SER 48 Ca 0.55 0.86 -0.17 0.00 1.31 0.00 0.00 55.95 58.50 2csf s SER 48 Cb -0.04 -2.20 0.24 0.00 0.21 0.00 0.00 66.02 64.22 2csf s SER 48 CO 0.35 0.01 1.51 1.67 0.41 0.00 0.00 173.24 177.19 2csf n GLN 49 N 0.17 -0.23 -0.39 12.44 7.27 -1.26 0.11 117.38 135.49 2csf n GLN 49 Ca -0.02 1.50 0.31 0.00 0.07 0.00 0.00 57.00 58.87 2csf n GLN 49 Cb 0.52 -2.23 0.58 0.00 2.41 0.00 0.00 30.24 31.52 2csf n GLN 49 CO 0.00 0.00 0.00 0.78 0.07 0.00 0.00 177.06 177.91 2csf h GLY 50 N 0.00 1.53 1.83 1.69 0.00 -1.94 1.32 103.07 107.50 2csf h GLY 50 Ca 0.34 -0.16 -0.14 0.00 0.00 0.00 0.00 47.33 47.37 2csf h GLY 50 CO -0.97 -0.41 -0.62 -0.25 0.00 0.00 0.00 176.54 174.29 2csf h TRP 51 N 0.18 0.23 0.00 5.60 7.01 0.39 -3.01 115.95 126.35 2csf h TRP 51 Ca 0.77 -0.09 -0.01 0.00 2.11 0.00 0.00 58.89 61.67 2csf h TRP 51 Cb 2.18 -0.04 -0.00 0.00 -2.10 0.00 0.00 29.16 29.20 2csf h TRP 51 CO -0.01 0.75 -0.16 1.25 -2.79 0.00 0.00 178.44 177.49 2csf h LEU 52 N 0.13 0.00 -0.93 0.65 7.12 0.17 -3.26 115.31 119.19 2csf h LEU 52 Ca -0.01 -0.16 0.19 0.00 0.13 0.00 0.00 57.88 58.04 2csf h LEU 52 Cb 1.13 0.00 -0.18 0.00 -0.53 0.00 0.00 40.66 41.08 2csf h LEU 52 CO 0.09 0.66 -0.21 0.00 -0.13 0.00 0.00 178.44 178.86 2csf h GLU 54 N 0.00 -0.37 -0.96 0.00 5.08 -1.69 -0.76 114.58 115.89 2csf h GLU 54 Ca 0.46 0.03 0.31 0.00 -1.00 0.00 0.00 59.36 59.15 2csf h GLU 54 Cb 0.72 0.08 -0.16 0.00 0.50 0.00 0.00 28.75 29.89 2csf h GLU 54 CO -0.94 -0.25 0.37 -0.07 -1.00 0.00 0.00 179.01 177.12 2csf h LEU 55 N -0.38 0.15 -0.40 1.33 4.07 -0.76 1.74 115.31 121.05 2csf h LEU 55 Ca 0.06 0.22 -0.08 0.00 0.08 0.00 0.00 57.88 58.17 2csf h LEU 55 Cb 0.47 0.26 -0.01 0.00 1.08 0.00 0.00 40.66 42.46 2csf h LEU 55 CO -0.22 -0.24 -0.37 -0.07 -1.08 0.00 0.00 178.44 176.46 2csf h LEU 56 N 0.17 0.00 0.09 1.67 3.38 -1.00 0.24 115.31 119.87 2csf h LEU 56 Ca 0.68 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.65 2csf h LEU 56 Cb 1.55 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.30 2csf h LEU 56 CO -0.71 0.37 -0.04 -0.09 0.09 0.00 0.00 178.44 178.06 2csf h ARG 57 N 0.00 -0.12 0.07 1.13 2.43 0.38 -3.39 114.38 114.88 2csf h ARG 57 Ca -0.00 0.01 -0.16 0.00 -0.81 0.00 0.00 59.98 59.01 2csf h ARG 57 Cb 1.13 0.03 0.02 0.00 -0.42 0.00 0.00 29.97 30.72 2csf h ARG 57 CO 0.05 0.07 -0.67 -1.49 -1.51 0.00 0.00 179.97 176.42 2csf h TRP 58 N -1.01 0.54 -6.17 2.20 4.06 -0.41 -3.48 115.95 111.68 2csf h TRP 58 Ca -0.01 -0.34 -0.44 0.00 2.06 0.00 0.00 58.89 60.15 2csf h TRP 58 Cb 0.25 -0.04 0.02 0.00 -1.00 0.00 0.00 29.16 28.39 2csf h TRP 58 CO 0.04 1.21 -0.81 1.63 -3.56 0.00 0.00 178.44 176.95 2csf n LYS 59 N -4.20 -5.06 -0.40 0.49 5.02 0.85 -4.94 118.16 109.91 2csf n LYS 59 Ca -0.12 0.61 -0.14 0.00 -2.02 0.00 0.00 58.31 56.64 2csf n LYS 59 Cb 0.73 -5.25 0.14 0.00 -0.02 0.00 0.00 35.03 30.63 2csf n LYS 59 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 2csf n GLU 60 N -4.41 -1.45 -3.41 1.97 1.02 -1.26 -4.91 120.64 108.19 2csf n GLU 60 Ca -0.19 -0.67 -0.41 0.00 -0.02 0.00 0.00 57.16 55.87 2csf n GLU 60 Cb 0.63 -1.28 -0.09 0.00 -0.02 0.00 0.00 31.44 30.68 2csf n GLU 60 CO 0.00 0.00 0.00 1.21 1.18 0.00 0.00 177.13 179.52 2csf s ASN 61 N -2.03 6.17 0.35 1.62 2.47 -1.26 -4.88 114.94 117.38 2csf s ASN 61 Ca 0.31 -0.30 -0.27 0.00 0.42 0.00 0.00 52.86 53.01 2csf s ASN 61 Cb -0.05 -2.19 -0.09 0.00 -1.45 0.00 0.00 41.25 37.46 2csf s ASN 61 CO 0.26 -0.35 1.21 -2.16 -3.72 0.00 0.00 177.10 172.33 2csf s PRO 62 N 1.99 4.27 0.07 0.43 0.04 -1.26 -5.01 135.00 135.53 2csf s PRO 62 Ca 0.11 1.98 -0.26 0.00 0.04 0.00 0.00 61.00 62.87 2csf s PRO 62 Cb -0.17 -2.92 0.08 0.00 0.04 0.00 0.00 34.50 31.54 2csf s PRO 62 CO 0.12 -0.17 0.72 -1.12 0.04 0.00 0.00 177.00 176.58 2csf s SER 63 N -0.84 -0.51 0.00 6.66 0.01 -1.26 -4.88 113.70 112.88 2csf s SER 63 Ca 0.52 0.10 0.15 0.00 1.31 0.00 0.00 55.95 58.04 2csf s SER 63 Cb -0.34 0.51 0.93 0.00 0.21 0.00 0.00 66.02 67.32 2csf s SER 63 CO 0.45 -0.79 1.34 -0.81 0.41 0.00 0.00 173.24 173.83 2csf n PRO 64 N -0.13 0.49 0.01 12.44 -0.04 -1.26 -2.72 135.00 143.79 2csf n PRO 64 Ca -0.14 0.00 -0.22 0.00 -0.04 0.00 0.00 63.50 63.10 2csf n PRO 64 Cb 0.63 -1.49 -0.14 0.00 -0.04 0.00 0.00 33.50 32.45 2csf n PRO 64 CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 2csf h GLU 65 N 0.00 0.27 -6.70 0.54 5.08 -1.99 -3.44 114.58 108.33 2csf h GLU 65 Ca 0.00 -0.45 -0.56 0.00 -1.00 0.00 0.00 59.36 57.35 2csf h GLU 65 Cb 0.00 0.17 -0.07 0.00 0.50 0.00 0.00 28.75 29.35 2csf h GLU 65 CO 0.00 1.22 0.94 1.21 -1.00 0.00 0.00 179.01 181.38 2csf s ASN 66 N -7.08 6.60 -0.00 1.42 3.84 -1.10 -4.94 114.94 113.68 2csf s ASN 66 Ca -0.21 0.47 -0.00 0.00 0.21 0.00 0.00 52.86 53.32 2csf s ASN 66 Cb 0.06 -2.55 -0.00 0.00 -0.55 0.00 0.00 41.25 38.21 2csf s ASN 66 CO 0.77 -1.28 0.48 0.03 -2.79 0.00 0.00 177.10 174.30 2csf h ARG 67 N 9.36 -0.01 -1.67 0.43 2.47 -1.86 0.82 114.38 123.93 2csf h ARG 67 Ca -0.23 0.00 0.50 0.00 -1.26 0.00 0.00 59.98 58.99 2csf h ARG 67 Cb 1.06 0.00 -0.09 0.00 -1.65 0.00 0.00 29.97 29.29 2csf h ARG 67 CO 1.13 -0.00 1.17 1.15 0.56 0.00 0.00 179.97 183.97 2csf h THR 68 N -0.01 0.09 0.00 2.04 2.02 -1.99 0.47 112.91 115.52 2csf h THR 68 Ca -0.00 -0.01 0.00 0.00 0.77 0.00 0.00 66.41 67.17 2csf h THR 68 Cb 0.01 0.06 0.00 0.00 -1.74 0.00 0.00 68.15 66.48 2csf h THR 68 CO 0.00 0.00 -0.09 0.25 0.37 0.00 0.00 175.52 176.06 2csf h LEU 69 N 0.02 0.00 -0.82 2.58 5.85 -1.95 -3.31 115.31 117.68 2csf h LEU 69 Ca 0.86 0.00 0.16 0.00 0.84 0.00 0.00 57.88 59.74 2csf h LEU 69 Cb 3.21 0.00 -0.16 0.00 0.37 0.00 0.00 40.66 44.09 2csf h LEU 69 CO -0.15 0.15 -0.21 -0.25 -0.34 0.00 0.00 178.44 177.64 2csf h TRP 70 N -0.21 -0.44 0.00 1.25 2.91 0.13 0.15 115.95 119.73 2csf h TRP 70 Ca 0.00 0.07 0.00 0.00 1.13 0.00 0.00 58.89 60.09 2csf h TRP 70 Cb 0.09 0.32 0.00 0.00 -0.51 0.00 0.00 29.16 29.06 2csf h TRP 70 CO -0.04 -0.35 0.00 0.39 -1.03 0.00 0.00 178.44 177.41 2csf n GLU 71 N -5.53 0.00 -0.06 2.65 1.02 0.16 0.29 120.64 119.17 2csf n GLU 71 Ca 0.12 0.77 -0.09 0.00 -0.02 0.00 0.00 57.16 57.94 2csf n GLU 71 Cb 0.41 -1.50 -0.03 0.00 -0.02 0.00 0.00 31.44 30.31 2csf n GLU 71 CO 0.00 0.00 0.00 -0.91 1.18 0.00 0.00 177.13 177.40 2csf h ASN 72 N 0.00 -1.00 -0.02 1.62 2.35 -1.50 0.39 115.58 117.43 2csf h ASN 72 Ca 0.00 0.16 0.01 0.00 -0.55 0.00 0.00 56.30 55.92 2csf h ASN 72 Cb 0.00 0.45 -0.00 0.00 0.05 0.00 0.00 38.32 38.82 2csf h ASN 72 CO 0.00 -0.33 0.24 -0.07 -1.65 0.00 0.00 177.43 175.62 2csf h LEU 73 N -0.31 0.00 0.01 1.61 3.38 -0.52 -1.19 115.31 118.29 2csf h LEU 73 Ca 0.13 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.10 2csf h LEU 73 Cb 0.53 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.28 2csf h LEU 73 CO -0.44 0.00 -0.00 0.00 0.09 0.00 0.00 178.44 178.09 2csf h THR 75 N -0.60 1.26 -0.08 0.00 1.03 -0.96 -2.64 112.91 110.92 2csf h THR 75 Ca -0.00 -1.01 -0.06 0.00 -0.01 0.00 0.00 66.41 65.34 2csf h THR 75 Cb 0.58 0.74 -0.01 0.00 -1.07 0.00 0.00 68.15 68.39 2csf h THR 75 CO 0.00 0.37 -0.21 0.40 -0.01 0.00 0.00 175.52 176.07 2csf h ILE 76 N 0.91 1.19 -0.29 0.00 2.04 -1.47 -2.46 117.51 117.43 2csf h ILE 76 Ca 0.18 -0.88 -0.12 0.00 1.00 0.00 0.00 64.86 65.04 2csf h ILE 76 Cb 0.43 1.37 -0.01 0.00 -0.74 0.00 0.00 36.82 37.87 2csf h ILE 76 CO 0.01 0.26 -0.30 -0.09 0.00 0.00 0.00 178.15 178.04 2csf h ARG 77 N 0.12 0.61 -0.01 2.37 9.65 -1.03 -2.85 114.38 123.24 2csf h ARG 77 Ca 0.02 -0.26 -0.13 0.00 -1.10 0.00 0.00 59.98 58.51 2csf h ARG 77 Cb 0.44 -0.02 -0.02 0.00 -1.39 0.00 0.00 29.97 28.99 2csf h ARG 77 CO 0.03 0.84 -0.60 0.00 2.80 0.00 0.00 179.97 183.03 2csf h ARG 78 N 0.52 0.04 0.15 0.20 3.08 -1.19 -3.09 114.38 114.08 2csf h ARG 78 Ca 0.06 -0.03 -0.01 0.00 0.07 0.00 0.00 59.98 60.08 2csf h ARG 78 Cb 0.78 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.84 2csf h ARG 78 CO 0.06 0.63 -0.07 0.35 -1.07 0.00 0.00 179.97 179.88 2csf h PHE 79 N 0.03 -0.18 -0.69 3.04 3.04 -1.23 -2.85 116.94 118.10 2csf h PHE 79 Ca -0.01 -0.00 0.08 0.00 3.98 0.00 0.00 57.97 62.02 2csf h PHE 79 Cb 1.08 0.06 -0.04 0.00 2.56 0.00 0.00 35.95 39.60 2csf h PHE 79 CO 0.00 0.03 0.46 -0.07 -2.02 0.00 0.00 178.31 176.71 2csf h LEU 80 N -0.37 0.57 -2.03 0.59 3.38 -1.55 -0.20 115.31 115.70 2csf h LEU 80 Ca -0.02 0.01 0.08 0.00 0.09 0.00 0.00 57.88 58.04 2csf h LEU 80 Cb 0.29 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 40.92 2csf h LEU 80 CO 0.03 0.36 0.21 0.78 0.09 0.00 0.00 178.44 179.91 2csf h ASN 81 N 0.65 0.00 -4.09 -0.43 2.35 -1.42 -3.43 115.58 109.21 2csf h ASN 81 Ca 0.31 0.00 -0.56 0.00 -0.55 0.00 0.00 56.30 55.50 2csf h ASN 81 Cb 0.36 0.00 0.15 0.00 0.05 0.00 0.00 38.32 38.89 2csf h ASN 81 CO -0.10 0.00 0.55 -0.76 -1.65 0.00 0.00 177.43 175.47 2csf s LEU 82 N -8.74 3.65 0.56 1.61 1.43 -0.09 -4.97 118.68 112.14 2csf s LEU 82 Ca -0.05 2.68 -0.19 0.00 -1.03 0.00 0.00 54.13 55.55 2csf s LEU 82 Cb 0.18 -4.51 -0.05 0.00 0.03 0.00 0.00 46.19 41.84 2csf s LEU 82 CO 0.69 -1.90 1.12 -2.16 0.23 0.00 0.00 176.35 174.33 2csf s PRO 83 N -3.24 3.26 0.29 1.29 0.04 -1.26 -4.67 135.00 130.70 2csf s PRO 83 Ca 0.80 1.57 0.03 0.00 0.04 0.00 0.00 61.00 63.43 2csf s PRO 83 Cb -0.39 -2.00 0.71 0.00 0.04 0.00 0.00 34.50 32.87 2csf s PRO 83 CO 0.43 -0.92 1.68 0.37 0.04 0.00 0.00 177.00 178.59 2csf h GLN 84 N 0.98 0.31 0.00 4.56 5.75 -1.93 0.94 115.11 125.73 2csf h GLN 84 Ca -0.49 -0.02 -0.01 0.00 -0.15 0.00 0.00 58.65 57.98 2csf h GLN 84 Cb 1.26 -0.07 -0.00 0.00 1.07 0.00 0.00 27.48 29.74 2csf h GLN 84 CO 0.56 0.21 -0.03 1.12 -2.65 0.00 0.00 178.83 178.04 2csf h HIS 85 N 0.32 0.00 0.00 3.99 2.07 -1.99 -1.49 115.15 118.05 2csf h HIS 85 Ca 0.55 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 58.07 2csf h HIS 85 Cb 1.07 0.00 0.00 0.00 2.57 0.00 0.00 27.41 31.05 2csf h HIS 85 CO -0.19 0.03 -0.03 0.93 -3.07 0.00 0.00 177.93 175.61 2csf h GLU 86 N 0.00 0.00 -0.93 5.12 4.39 0.51 -3.24 114.58 120.44 2csf h GLU 86 Ca -0.00 0.00 0.27 0.00 0.34 0.00 0.00 59.36 59.97 2csf h GLU 86 Cb 0.07 0.00 -0.16 0.00 -0.10 0.00 0.00 28.75 28.56 2csf h GLU 86 CO 0.00 0.00 0.21 0.00 -1.16 0.00 0.00 179.01 178.06 2csf h ARG 87 N -0.27 0.12 -0.83 2.33 3.08 -1.18 0.67 114.38 118.30 2csf h ARG 87 Ca 0.00 -0.01 0.07 0.00 0.07 0.00 0.00 59.98 60.12 2csf h ARG 87 Cb 0.03 -0.03 -0.06 0.00 0.08 0.00 0.00 29.97 29.99 2csf h ARG 87 CO 0.00 0.08 0.49 0.22 -1.07 0.00 0.00 179.97 179.69 2csf h ASP 88 N 0.12 0.75 -0.38 7.04 3.58 -1.44 -2.06 116.42 124.03 2csf h ASP 88 Ca 0.60 0.03 -0.00 0.00 0.42 0.00 0.00 57.03 58.08 2csf h ASP 88 Cb 1.28 -0.12 -0.02 0.00 1.72 0.00 0.00 39.33 42.19 2csf h ASP 88 CO -0.75 0.46 0.24 0.58 -2.88 0.00 0.00 179.24 176.89 2csf h VAL 89 N 0.88 1.12 -0.04 2.25 2.07 0.31 -1.17 116.25 121.66 2csf h VAL 89 Ca 0.38 -0.25 0.03 0.00 0.82 0.00 0.00 66.70 67.67 2csf h VAL 89 Cb 0.24 0.60 -0.03 0.00 -1.52 0.00 0.00 31.29 30.58 2csf h VAL 89 CO -0.20 0.11 -0.12 0.40 0.02 0.00 0.00 177.57 177.78 2csf h ILE 90 N 0.50 0.69 -0.48 4.57 2.04 -0.87 0.00 117.51 123.95 2csf h ILE 90 Ca 0.14 0.00 0.03 0.00 1.00 0.00 0.00 64.86 66.02 2csf h ILE 90 Cb -0.02 0.69 -0.03 0.00 -0.74 0.00 0.00 36.82 36.71 2csf h ILE 90 CO -0.03 0.00 0.28 1.88 0.00 0.00 0.00 178.15 180.28 2csf h TYR 91 N -0.19 0.52 0.83 1.37 0.05 -1.25 0.17 116.97 118.48 2csf h TYR 91 Ca 0.06 0.02 -0.04 0.00 0.05 0.00 0.00 58.73 58.82 2csf h TYR 91 Cb 0.26 -0.16 -0.00 0.00 1.01 0.00 0.00 36.73 37.84 2csf h TYR 91 CO -0.20 0.29 -0.49 0.93 -1.05 0.00 0.00 178.16 177.64 2csf h GLU 92 N 0.56 -1.19 -0.80 4.88 5.08 -0.83 0.20 114.58 122.48 2csf h GLU 92 Ca 0.20 0.08 0.12 0.00 -1.00 0.00 0.00 59.36 58.76 2csf h GLU 92 Cb 0.04 0.27 -0.08 0.00 0.50 0.00 0.00 28.75 29.47 2csf h GLU 92 CO -0.10 -0.79 0.41 0.93 -1.00 0.00 0.00 179.01 178.46 2csf h GLU 93 N -1.23 0.62 0.07 2.33 4.39 -0.91 -3.09 114.58 116.76 2csf h GLU 93 Ca -0.11 -0.04 -0.00 0.00 0.34 0.00 0.00 59.36 59.55 2csf h GLU 93 Cb 0.98 -0.14 0.00 0.00 -0.10 0.00 0.00 28.75 29.49 2csf h GLU 93 CO 0.13 0.41 -0.03 1.49 -1.16 0.00 0.00 179.01 179.84 2csf h GLU 94 N 0.64 -0.09 -5.70 2.33 4.57 -0.73 -3.44 114.58 112.16 2csf h GLU 94 Ca 0.41 0.01 -0.66 0.00 -1.18 0.00 0.00 59.36 57.94 2csf h GLU 94 Cb 0.51 0.02 -0.16 0.00 -0.16 0.00 0.00 28.75 28.96 2csf h GLU 94 CO -0.31 -0.06 -0.61 0.45 -1.18 0.00 0.00 179.01 177.29 2csf s SER 95 N -2.33 5.27 -0.34 1.04 0.15 0.67 -5.08 113.70 113.07 2csf s SER 95 Ca -0.01 0.09 0.01 0.00 0.70 0.00 0.00 55.95 56.74 2csf s SER 95 Cb 0.00 -1.65 0.11 0.00 -1.71 0.00 0.00 66.02 62.77 2csf s SER 95 CO 0.04 0.30 0.11 -0.94 1.20 0.00 0.00 173.24 173.95 2csf s SER 96 N -0.42 4.15 0.13 5.45 1.04 -1.25 -4.18 113.70 118.62 2csf s SER 96 Ca 0.08 -1.91 0.01 0.00 0.48 0.00 0.00 55.95 54.61 2csf s SER 96 Cb -0.12 -1.07 -0.04 0.00 0.10 0.00 0.00 66.02 64.89 2csf s SER 96 CO 0.02 -0.38 0.28 -0.83 0.98 0.00 0.00 173.24 173.31 2csf s GLY 97 N 1.26 1.90 0.31 7.32 0.00 -1.26 -5.01 107.32 111.83 2csf s GLY 97 Ca 0.11 -0.92 0.09 0.00 0.00 0.00 0.00 44.72 44.01 2csf s GLY 97 CO -0.17 -0.90 1.70 -0.56 0.00 0.00 0.00 173.10 173.16 2csf h PRO 98 N 2.45 0.09 -5.68 2.90 0.13 -2.06 -3.38 132.00 126.46 2csf h PRO 98 Ca -0.47 -0.05 -0.50 0.00 -0.87 0.00 0.00 66.00 64.11 2csf h PRO 98 Cb 1.18 0.00 -0.06 0.00 0.13 0.00 0.00 31.00 32.25 2csf h PRO 98 CO 0.71 0.55 1.60 0.45 -0.23 0.00 0.00 178.00 181.08 2csf s SER 99 N -6.89 5.91 -0.41 1.44 0.15 -1.26 -4.92 113.70 107.72 2csf s SER 99 Ca -0.03 -1.99 -0.27 0.00 0.70 0.00 0.00 55.95 54.36 2csf s SER 99 Cb 0.13 -2.58 -0.05 0.00 -1.71 0.00 0.00 66.02 61.81 2csf s SER 99 CO 0.76 -2.15 2.15 -0.94 1.20 0.00 0.00 173.24 174.26 2csf s SER 100 N 5.45 5.12 0.00 5.45 1.04 -1.26 -5.22 113.70 124.27 2csf s SER 100 Ca 0.61 1.19 0.00 0.00 0.48 0.00 0.00 55.95 58.23 2csf s SER 100 Cb 0.01 -2.51 0.00 0.00 0.10 0.00 0.00 66.02 63.62 2csf s SER 100 CO 0.10 -2.34 0.00 0.61 0.98 0.00 0.00 173.24 172.59