#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2csf n SER 2 N 0.00 1.99 -4.76 1.61 2.88 -1.26 -4.93 113.62 109.15 2csf n SER 2 Ca 0.00 0.22 -0.41 0.00 -1.33 0.00 0.00 58.87 57.36 2csf n SER 2 Cb 0.00 -0.80 -0.02 0.00 -0.75 0.00 0.00 64.21 62.64 2csf n SER 2 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 2csf s SER 3 N -6.97 6.77 -0.78 -3.46 1.04 -1.26 -4.90 113.70 104.14 2csf s SER 3 Ca -0.30 2.66 -0.25 0.00 0.48 0.00 0.00 55.95 58.54 2csf s SER 3 Cb 0.08 -2.64 -0.04 0.00 0.10 0.00 0.00 66.02 63.53 2csf s SER 3 CO 0.63 -0.55 1.91 -0.83 0.98 0.00 0.00 173.24 175.38 2csf s GLY 4 N -0.32 0.19 -0.21 7.32 0.00 -1.26 -4.94 107.32 108.11 2csf s GLY 4 Ca 0.51 -1.16 -0.04 0.00 0.00 0.00 0.00 44.72 44.03 2csf s GLY 4 CO 0.51 3.45 -0.04 -0.56 0.00 0.00 0.00 173.10 176.46 2csf s SER 5 N 8.03 4.38 0.10 1.64 0.01 -1.26 -5.01 113.70 121.59 2csf s SER 5 Ca 0.69 -0.35 -0.27 0.00 1.31 0.00 0.00 55.95 57.33 2csf s SER 5 Cb -0.09 -1.74 -0.12 0.00 0.21 0.00 0.00 66.02 64.27 2csf s SER 5 CO 0.08 0.02 1.67 0.28 0.41 0.00 0.00 173.24 175.69 2csf h SER 6 N 7.84 -0.51 0.00 2.44 0.02 -2.05 -3.47 113.55 117.81 2csf h SER 6 Ca -0.39 0.05 0.00 0.00 -0.84 0.00 0.00 61.79 60.61 2csf h SER 6 Cb 1.17 0.17 0.00 0.00 0.14 0.00 0.00 62.40 63.88 2csf h SER 6 CO 0.60 -0.29 0.00 0.61 -1.14 0.00 0.00 176.83 176.61 2csf n GLY 7 N -1.32 3.24 3.70 -3.77 0.00 -1.26 -5.13 105.19 100.66 2csf n GLY 7 Ca -0.08 -0.07 -0.42 0.00 0.00 0.00 0.00 46.02 45.45 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 -1.02 4.30 0.24 1.61 0.04 -1.26 -4.98 135.00 133.94 2csf s PRO 8 Ca 0.00 2.03 -0.30 0.00 0.04 0.00 0.00 61.00 62.77 2csf s PRO 8 Cb 0.00 -3.41 -0.10 0.00 0.04 0.00 0.00 34.50 31.04 2csf s PRO 8 CO 0.00 -0.50 1.42 0.42 0.04 0.00 0.00 177.00 178.38 2csf s ILE 9 N 1.71 2.72 -0.20 0.56 -1.09 -1.26 -5.00 121.20 118.65 2csf s ILE 9 Ca 0.65 0.61 -0.10 0.00 -2.23 0.00 0.00 60.65 59.58 2csf s ILE 9 Cb -0.34 -3.39 -0.05 0.00 -1.58 0.00 0.00 42.46 37.10 2csf s ILE 9 CO 0.29 0.10 0.12 -1.59 -1.23 0.00 0.00 174.94 172.62 2csf s LYS 10 N -0.34 4.14 -0.19 2.79 -2.85 -1.26 -4.97 119.74 117.06 2csf s LYS 10 Ca 0.59 -0.25 0.07 0.00 -1.00 0.00 0.00 55.97 55.39 2csf s LYS 10 Cb -0.41 -3.39 -0.17 0.00 -2.06 0.00 0.00 37.83 31.80 2csf s LYS 10 CO 0.43 0.27 -0.08 1.55 0.10 0.00 0.00 175.35 177.62 2csf n VAL 11 N 3.60 1.16 -0.03 1.79 3.14 -1.26 -4.62 118.33 122.11 2csf n VAL 11 Ca -0.16 -0.56 -0.13 0.00 -2.96 0.00 0.00 64.34 60.52 2csf n VAL 11 Cb 0.52 -0.93 -0.11 0.00 -1.06 0.00 0.00 33.84 32.26 2csf n VAL 11 CO 0.00 0.00 0.00 -0.78 -6.46 0.00 0.00 176.83 169.59 2csf h ASP 12 N 0.00 0.01 0.00 6.55 1.82 -2.01 -3.47 116.42 119.32 2csf h ASP 12 Ca -0.46 -0.64 0.00 0.00 -0.39 0.00 0.00 57.03 55.54 2csf h ASP 12 Cb 1.85 -0.00 0.00 0.00 0.68 0.00 0.00 39.33 41.86 2csf h ASP 12 CO -0.03 0.65 0.00 0.61 -1.61 0.00 0.00 179.24 178.86 2csf n GLY 13 N 0.64 1.85 0.85 -0.78 0.00 -1.26 -4.51 105.19 101.98 2csf n GLY 13 Ca -0.09 -0.21 -0.01 0.00 0.00 0.00 0.00 46.02 45.71 2csf n GLY 13 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2csf n ALA 14 N 6.22 2.54 -2.16 4.61 0.00 -1.26 -5.12 120.51 125.35 2csf n ALA 14 Ca 0.00 -0.13 -0.10 0.00 0.00 0.00 0.00 53.44 53.21 2csf n ALA 14 Cb 0.00 0.16 -0.10 0.00 0.00 0.00 0.00 19.45 19.51 2csf n ALA 14 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2csf s ASN 15 N -5.70 0.64 0.09 0.00 4.22 -1.26 -5.13 114.94 107.80 2csf s ASN 15 Ca -0.04 -1.13 -0.31 0.00 -2.14 0.00 0.00 52.86 49.23 2csf s ASN 15 Cb 0.01 0.21 -0.07 0.00 1.28 0.00 0.00 41.25 42.68 2csf s ASN 15 CO 0.06 -0.64 1.32 -0.63 -2.04 0.00 0.00 177.10 175.18 2csf s ILE 16 N -3.89 3.57 -0.51 0.54 1.01 -1.26 -4.99 121.20 115.68 2csf s ILE 16 Ca 0.19 1.12 -0.15 0.00 0.00 0.00 0.00 60.65 61.81 2csf s ILE 16 Cb 0.07 -3.72 0.11 0.00 0.01 0.00 0.00 42.46 38.93 2csf s ILE 16 CO -0.01 0.08 0.44 0.21 0.00 0.00 0.00 174.94 175.66 2csf s ASN 17 N 1.12 6.09 0.18 3.58 2.47 -1.26 -5.06 114.94 122.07 2csf s ASN 17 Ca 0.63 -1.65 -0.29 0.00 0.42 0.00 0.00 52.86 51.97 2csf s ASN 17 Cb -0.34 -2.17 -0.08 0.00 -1.45 0.00 0.00 41.25 37.21 2csf s ASN 17 CO 0.30 -0.76 0.89 -0.63 -3.72 0.00 0.00 177.10 173.18 2csf s ILE 18 N 1.58 4.28 0.04 -5.21 -1.09 -1.26 -5.06 121.20 114.47 2csf s ILE 18 Ca 0.04 1.96 0.01 0.00 -2.23 0.00 0.00 60.65 60.43 2csf s ILE 18 Cb -0.28 -4.27 -0.03 0.00 -1.58 0.00 0.00 42.46 36.31 2csf s ILE 18 CO 0.04 0.46 -0.05 0.42 -1.23 0.00 0.00 174.94 174.57 2csf s THR 19 N -0.85 0.36 0.49 2.92 -4.23 -1.26 -4.82 115.64 108.26 2csf s THR 19 Ca 0.41 -1.17 0.33 0.00 -1.18 0.00 0.00 61.69 60.08 2csf s THR 19 Cb -0.24 -0.67 0.53 0.00 1.34 0.00 0.00 72.50 73.45 2csf s THR 19 CO 0.30 -0.53 1.72 0.00 -0.54 0.00 0.00 174.62 175.56 2csf h ALA 20 N 4.27 2.94 -1.01 3.99 0.00 -1.89 0.38 119.26 127.94 2csf h ALA 20 Ca -0.34 0.02 0.24 0.00 0.00 0.00 0.00 54.91 54.82 2csf h ALA 20 Cb 1.20 0.11 -0.09 0.00 0.00 0.00 0.00 17.79 19.01 2csf h ALA 20 CO 0.46 -1.40 0.64 0.00 0.00 0.00 0.00 179.25 178.95 2csf h ALA 21 N 1.44 2.10 -1.91 0.00 0.00 -1.97 -0.12 119.26 118.80 2csf h ALA 21 Ca 0.69 0.06 0.56 0.00 0.00 0.00 0.00 54.91 56.22 2csf h ALA 21 Cb 2.40 -0.00 -0.08 0.00 0.00 0.00 0.00 17.79 20.11 2csf h ALA 21 CO -0.18 -0.48 1.37 0.97 0.00 0.00 0.00 179.25 180.93 2csf h ILE 22 N 0.47 0.03 -0.13 0.00 2.10 -0.64 1.00 117.51 120.34 2csf h ILE 22 Ca 0.57 -0.00 -0.05 0.00 1.08 0.00 0.00 64.86 66.46 2csf h ILE 22 Cb 1.32 0.03 -0.00 0.00 -1.09 0.00 0.00 36.82 37.08 2csf h ILE 22 CO -0.30 0.00 -0.11 1.88 -1.08 0.00 0.00 178.15 178.54 2csf h TYR 23 N 0.00 0.37 -0.08 2.19 0.05 -1.21 -2.93 116.97 115.36 2csf h TYR 23 Ca 0.92 -0.11 -0.00 0.00 0.05 0.00 0.00 58.73 59.59 2csf h TYR 23 Cb 3.66 -0.08 -0.00 0.00 1.01 0.00 0.00 36.73 41.32 2csf h TYR 23 CO -0.00 0.70 0.05 -0.44 -1.05 0.00 0.00 178.16 177.42 2csf h ASP 24 N -0.06 0.10 -0.93 3.88 5.19 0.87 -2.43 116.42 123.04 2csf h ASP 24 Ca 0.02 -0.05 0.20 0.00 -0.62 0.00 0.00 57.03 56.58 2csf h ASP 24 Cb 0.63 -0.03 -0.08 0.00 0.18 0.00 0.00 39.33 40.03 2csf h ASP 24 CO 0.03 0.12 0.60 -0.33 -3.12 0.00 0.00 179.24 176.55 2csf h GLU 25 N 0.07 0.50 -0.50 3.56 5.08 -1.44 0.14 114.58 121.99 2csf h GLU 25 Ca 0.03 -0.03 -0.07 0.00 -1.00 0.00 0.00 59.36 58.29 2csf h GLU 25 Cb 0.04 -0.11 -0.02 0.00 0.50 0.00 0.00 28.75 29.16 2csf h GLU 25 CO -0.01 0.33 0.03 0.82 -1.00 0.00 0.00 179.01 179.18 2csf h ILE 26 N 0.51 1.24 0.40 3.13 2.04 -1.24 0.30 117.51 123.89 2csf h ILE 26 Ca 0.50 -0.97 -0.02 0.00 1.00 0.00 0.00 64.86 65.36 2csf h ILE 26 Cb 1.08 0.83 0.00 0.00 -0.74 0.00 0.00 36.82 37.99 2csf h ILE 26 CO -0.23 0.35 -0.19 1.56 0.00 0.00 0.00 178.15 179.64 2csf h GLN 27 N 0.77 -0.52 -0.13 2.37 4.20 -0.53 -2.82 115.11 118.45 2csf h GLN 27 Ca 0.15 0.04 -0.02 0.00 0.06 0.00 0.00 58.65 58.88 2csf h GLN 27 Cb 0.43 0.12 -0.00 0.00 0.30 0.00 0.00 27.48 28.32 2csf h GLN 27 CO 0.02 -0.23 0.00 1.96 -0.67 0.00 0.00 178.83 179.91 2csf h GLN 28 N -0.78 0.22 -1.18 1.46 4.20 -1.41 -2.88 115.11 114.75 2csf h GLN 28 Ca -0.06 -0.07 0.35 0.00 0.06 0.00 0.00 58.65 58.94 2csf h GLN 28 Cb 0.53 -0.02 -0.11 0.00 0.30 0.00 0.00 27.48 28.18 2csf h GLN 28 CO 0.09 0.45 0.76 1.49 -0.67 0.00 0.00 178.83 180.95 2csf h GLU 29 N -0.04 0.22 0.29 1.46 4.57 -0.46 0.06 114.58 120.68 2csf h GLU 29 Ca 0.04 -0.01 -0.01 0.00 -1.18 0.00 0.00 59.36 58.19 2csf h GLU 29 Cb 0.35 -0.05 0.00 0.00 -0.16 0.00 0.00 28.75 28.89 2csf h GLU 29 CO 0.01 0.15 -0.14 0.52 -1.18 0.00 0.00 179.01 178.36 2csf h MET 30 N 0.23 -0.38 -0.27 1.92 2.86 -1.29 -2.01 114.93 115.99 2csf h MET 30 Ca 0.71 0.03 0.08 0.00 -2.06 0.00 0.00 59.70 58.45 2csf h MET 30 Cb 2.05 0.09 -0.01 0.00 0.06 0.00 0.00 31.60 33.79 2csf h MET 30 CO -0.36 -0.05 0.40 1.57 1.06 0.00 0.00 176.91 179.53 2csf h LYS 31 N -0.93 0.00 0.23 1.72 5.09 -0.91 1.18 116.57 122.95 2csf h LYS 31 Ca -0.04 0.00 -0.34 0.00 0.09 0.00 0.00 60.65 60.36 2csf h LYS 31 Cb 0.50 0.00 0.03 0.00 0.10 0.00 0.00 32.23 32.86 2csf h LYS 31 CO 0.07 0.00 -1.60 -0.09 -2.09 0.00 0.00 179.45 175.74 2csf h ARG 32 N 0.00 0.48 0.00 0.07 2.43 -1.01 -3.31 114.38 113.04 2csf h ARG 32 Ca 0.13 -0.82 0.00 0.00 -0.81 0.00 0.00 59.98 58.48 2csf h ARG 32 Cb 0.92 0.31 0.00 0.00 -0.42 0.00 0.00 29.97 30.78 2csf h ARG 32 CO -0.00 1.39 -0.44 0.00 -1.51 0.00 0.00 179.97 179.41 2csf n ALA 33 N -2.78 3.11 -3.00 2.80 0.00 0.21 -4.96 120.51 115.89 2csf n ALA 33 Ca -0.20 -0.27 -0.12 0.00 0.00 0.00 0.00 53.44 52.85 2csf n ALA 33 Cb 1.09 -1.21 0.05 0.00 0.00 0.00 0.00 19.45 19.39 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 -1.72 -4.48 -3.48 0.00 4.76 0.38 -5.02 118.16 108.60 2csf n LYS 34 Ca 0.05 0.53 -0.18 0.00 -2.87 0.00 0.00 58.31 55.85 2csf n LYS 34 Cb 0.37 -4.64 -0.04 0.00 -1.84 0.00 0.00 35.03 28.88 2csf n LYS 34 CO 0.00 0.00 0.00 1.33 -1.37 0.00 0.00 177.40 177.36 2csf n VAL 35 N -3.34 0.00 -4.43 -0.18 0.24 -1.05 -4.50 118.33 105.06 2csf n VAL 35 Ca -0.12 -1.34 -0.24 0.00 -2.04 0.00 0.00 64.34 60.59 2csf n VAL 35 Cb 0.59 0.30 -0.09 0.00 -1.47 0.00 0.00 33.84 33.16 2csf n VAL 35 CO 0.00 0.00 0.00 -0.55 -2.14 0.00 0.00 176.83 174.14 2csf s SER 36 N -2.54 3.81 0.46 -1.34 0.15 -1.26 -4.68 113.70 108.30 2csf s SER 36 Ca 0.02 -0.96 0.26 0.00 0.70 0.00 0.00 55.95 55.97 2csf s SER 36 Cb 0.00 -0.42 1.30 0.00 -1.71 0.00 0.00 66.02 65.19 2csf s SER 36 CO 0.01 0.01 1.79 1.56 1.20 0.00 0.00 173.24 177.81 2csf h GLN 37 N 2.16 0.21 -0.13 5.44 4.20 -1.96 0.13 115.11 125.17 2csf h GLN 37 Ca -0.41 -0.01 -0.04 0.00 0.06 0.00 0.00 58.65 58.25 2csf h GLN 37 Cb 1.26 -0.05 -0.00 0.00 0.30 0.00 0.00 27.48 28.99 2csf h GLN 37 CO 0.61 0.14 -0.06 0.00 -0.67 0.00 0.00 178.83 178.85 2csf h ALA 38 N 1.54 0.18 0.54 3.87 0.00 -1.93 -2.02 119.26 121.44 2csf h ALA 38 Ca 0.58 -0.26 -0.03 0.00 0.00 0.00 0.00 54.91 55.21 2csf h ALA 38 Cb 1.83 -0.04 0.01 0.00 0.00 0.00 0.00 17.79 19.58 2csf h ALA 38 CO -0.18 -0.04 -0.26 1.25 0.00 0.00 0.00 179.25 180.03 2csf h LEU 39 N -0.08 -0.61 -1.00 0.00 7.12 -1.18 0.37 115.31 119.93 2csf h LEU 39 Ca 0.03 0.02 0.27 0.00 0.13 0.00 0.00 57.88 58.33 2csf h LEU 39 Cb 0.52 0.16 -0.13 0.00 -0.53 0.00 0.00 40.66 40.68 2csf h LEU 39 CO 0.02 -0.38 0.57 0.15 -0.13 0.00 0.00 178.44 178.67 2csf h PHE 40 N -0.85 0.96 0.00 1.25 3.04 -1.29 0.98 116.94 121.03 2csf h PHE 40 Ca -0.07 0.04 -0.07 0.00 3.98 0.00 0.00 57.97 61.84 2csf h PHE 40 Cb 0.55 -0.26 -0.01 0.00 2.56 0.00 0.00 35.95 38.79 2csf h PHE 40 CO 0.07 -0.03 -0.35 0.00 -2.02 0.00 0.00 178.31 175.98 2csf h ALA 41 N 1.77 0.82 0.00 2.41 0.00 -1.28 0.12 119.26 123.10 2csf h ALA 41 Ca 0.67 -0.31 -0.10 0.00 0.00 0.00 0.00 54.91 55.17 2csf h ALA 41 Cb 1.37 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 19.09 2csf h ALA 41 CO -0.53 0.43 -0.56 -0.22 0.00 0.00 0.00 179.25 178.38 2csf h LYS 42 N 0.00 0.00 0.00 0.00 3.11 0.51 1.50 116.57 121.69 2csf h LYS 42 Ca -0.00 0.00 0.00 0.00 -2.81 0.00 0.00 60.65 57.84 2csf h LYS 42 Cb 1.14 0.00 0.00 0.00 -1.00 0.00 0.00 32.23 32.37 2csf h LYS 42 CO 0.04 0.41 -1.69 1.33 -2.81 0.00 0.00 179.45 176.74 2csf n VAL 43 N -3.16 0.00 -0.05 2.00 0.24 0.85 -3.36 118.33 114.85 2csf n VAL 43 Ca 0.01 -0.37 -0.04 0.00 -2.04 0.00 0.00 64.34 61.90 2csf n VAL 43 Cb 0.72 0.23 -0.01 0.00 -1.47 0.00 0.00 33.84 33.31 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 -2.03 0.42 0.68 2.33 0.00 0.41 -4.69 120.51 117.63 2csf n ALA 44 Ca -0.02 -0.45 0.08 0.00 0.00 0.00 0.00 53.44 53.05 2csf n ALA 44 Cb 0.46 0.01 -0.00 0.00 0.00 0.00 0.00 19.45 19.92 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 -3.44 3.12 -2.49 0.00 0.00 -0.78 -4.31 120.51 112.61 2csf n ALA 45 Ca -0.07 -0.53 -0.20 0.00 0.00 0.00 0.00 53.44 52.65 2csf n ALA 45 Cb 0.25 -0.54 -0.00 0.00 0.00 0.00 0.00 19.45 19.15 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 -0.12 -5.69 -4.99 0.00 2.85 0.49 -4.94 115.26 102.87 2csf n ASN 46 Ca 0.06 -0.03 -0.22 0.00 -0.11 0.00 0.00 54.58 54.28 2csf n ASN 46 Cb 0.32 -4.72 0.04 0.00 1.24 0.00 0.00 39.78 36.66 2csf n ASN 46 CO 0.00 0.00 0.00 -0.54 -2.11 0.00 0.00 177.26 174.61 2csf s LYS 47 N -5.13 2.24 0.17 1.20 -0.14 0.10 -4.85 119.74 113.33 2csf s LYS 47 Ca 0.04 -1.82 -0.19 0.00 -1.36 0.00 0.00 55.97 52.64 2csf s LYS 47 Cb -0.02 -2.44 -0.08 0.00 -1.68 0.00 0.00 37.83 33.62 2csf s LYS 47 CO 0.05 -0.84 0.66 -1.12 -0.76 0.00 0.00 175.35 173.34 2csf s SER 48 N -4.56 7.03 0.17 2.83 0.01 -1.26 -3.81 113.70 114.10 2csf s SER 48 Ca 0.52 1.32 -0.15 0.00 1.31 0.00 0.00 55.95 58.95 2csf s SER 48 Cb -0.04 -2.38 0.15 0.00 0.21 0.00 0.00 66.02 63.96 2csf s SER 48 CO 0.33 0.11 1.18 1.67 0.41 0.00 0.00 173.24 176.94 2csf n GLN 49 N 0.99 -0.20 -0.32 12.44 7.27 -1.26 0.16 117.38 136.46 2csf n GLN 49 Ca -0.05 1.17 0.20 0.00 0.07 0.00 0.00 57.00 58.39 2csf n GLN 49 Cb 0.51 -1.73 0.40 0.00 2.41 0.00 0.00 30.24 31.82 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 1.75 2.00 1.69 0.00 -1.93 1.24 103.07 107.82 2csf h GLY 50 Ca 0.25 -0.12 -0.06 0.00 0.00 0.00 0.00 47.33 47.40 2csf h GLY 50 CO -0.75 -0.47 -0.28 -0.25 0.00 0.00 0.00 176.54 174.79 2csf h TRP 51 N 0.23 0.00 0.00 5.60 7.01 0.11 -2.72 115.95 126.19 2csf h TRP 51 Ca 0.66 0.00 -0.01 0.00 2.11 0.00 0.00 58.89 61.65 2csf h TRP 51 Cb 1.46 0.00 -0.00 0.00 -2.10 0.00 0.00 29.16 28.52 2csf h TRP 51 CO -0.15 0.28 -0.22 1.25 -2.79 0.00 0.00 178.44 176.81 2csf h LEU 52 N 0.00 0.00 -0.89 0.65 7.12 0.16 -3.28 115.31 119.06 2csf h LEU 52 Ca -0.00 -0.11 0.17 0.00 0.13 0.00 0.00 57.88 58.07 2csf h LEU 52 Cb 0.53 0.00 -0.16 0.00 -0.53 0.00 0.00 40.66 40.50 2csf h LEU 52 CO 0.04 0.67 -0.28 0.00 -0.13 0.00 0.00 178.44 178.74 2csf h GLU 54 N -0.02 -0.47 -0.98 0.00 5.08 -1.65 0.41 114.58 116.95 2csf h GLU 54 Ca 0.39 0.03 0.34 0.00 -1.00 0.00 0.00 59.36 59.12 2csf h GLU 54 Cb 0.63 0.11 -0.17 0.00 0.50 0.00 0.00 28.75 29.82 2csf h GLU 54 CO -0.92 -0.31 0.36 -0.07 -1.00 0.00 0.00 179.01 177.06 2csf h LEU 55 N -0.49 0.08 -0.16 1.33 4.07 -0.98 2.00 115.31 121.16 2csf h LEU 55 Ca 0.07 0.25 -0.10 0.00 0.08 0.00 0.00 57.88 58.17 2csf h LEU 55 Cb 0.59 0.31 -0.01 0.00 1.08 0.00 0.00 40.66 42.63 2csf h LEU 55 CO -0.31 -0.33 -0.47 -0.07 -1.08 0.00 0.00 178.44 176.18 2csf h LEU 56 N 0.08 0.00 0.15 1.67 3.38 -0.94 0.78 115.31 120.43 2csf h LEU 56 Ca 0.72 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.68 2csf h LEU 56 Cb 1.71 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.46 2csf h LEU 56 CO -0.77 0.47 -0.07 -0.09 0.09 0.00 0.00 178.44 178.07 2csf h ARG 57 N 0.00 -0.19 0.02 1.13 2.43 0.50 -3.38 114.38 114.89 2csf h ARG 57 Ca -0.00 0.01 -0.10 0.00 -0.81 0.00 0.00 59.98 59.08 2csf h ARG 57 Cb 1.30 0.04 0.01 0.00 -0.42 0.00 0.00 29.97 30.90 2csf h ARG 57 CO 0.06 -0.02 -0.41 -1.49 -1.51 0.00 0.00 179.97 176.60 2csf h TRP 58 N -1.03 0.37 -5.85 2.20 4.06 -0.30 -3.48 115.95 111.91 2csf h TRP 58 Ca -0.02 -0.22 -0.38 0.00 2.06 0.00 0.00 58.89 60.33 2csf h TRP 58 Cb 0.26 -0.04 0.12 0.00 -1.00 0.00 0.00 29.16 28.50 2csf h TRP 58 CO 0.03 1.06 -0.77 1.63 -3.56 0.00 0.00 178.44 176.83 2csf n LYS 59 N -4.38 -6.26 -0.69 0.49 5.02 0.27 -4.94 118.16 107.67 2csf n LYS 59 Ca -0.11 0.76 -0.32 0.00 -2.02 0.00 0.00 58.31 56.63 2csf n LYS 59 Cb 0.60 -5.65 0.16 0.00 -0.02 0.00 0.00 35.03 30.12 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 -4.35 -1.56 -2.92 1.97 4.71 -1.26 -4.88 120.64 112.35 2csf n GLU 60 Ca -0.22 -0.44 -0.43 0.00 -0.01 0.00 0.00 57.16 56.06 2csf n GLU 60 Cb 0.65 -1.61 -0.05 0.00 -1.01 0.00 0.00 31.44 29.41 2csf n GLU 60 CO 0.00 0.00 0.00 1.21 0.09 0.00 0.00 177.13 178.43 2csf s ASN 61 N -1.77 6.48 0.36 1.62 2.47 -1.26 -4.85 114.94 117.99 2csf s ASN 61 Ca 0.53 0.11 -0.27 0.00 0.42 0.00 0.00 52.86 53.65 2csf s ASN 61 Cb -0.09 -2.41 -0.09 0.00 -1.45 0.00 0.00 41.25 37.21 2csf s ASN 61 CO 0.64 -0.89 1.21 -2.16 -3.72 0.00 0.00 177.10 172.18 2csf s PRO 62 N 3.35 4.22 0.04 0.43 0.04 -1.26 -5.01 135.00 136.81 2csf s PRO 62 Ca 0.32 1.97 -0.27 0.00 0.04 0.00 0.00 61.00 63.06 2csf s PRO 62 Cb -0.12 -2.87 0.09 0.00 0.04 0.00 0.00 34.50 31.64 2csf s PRO 62 CO 0.22 -0.21 0.77 -1.12 0.04 0.00 0.00 177.00 176.69 2csf s SER 63 N -0.88 -0.46 0.00 6.66 0.01 -1.26 -4.88 113.70 112.89 2csf s SER 63 Ca 0.53 0.08 0.15 0.00 1.31 0.00 0.00 55.95 58.02 2csf s SER 63 Cb -0.34 0.47 0.90 0.00 0.21 0.00 0.00 66.02 67.26 2csf s SER 63 CO 0.44 -0.73 1.31 -0.81 0.41 0.00 0.00 173.24 173.86 2csf n PRO 64 N -0.14 0.49 0.01 12.44 -0.04 -1.26 -2.60 135.00 143.90 2csf n PRO 64 Ca -0.13 0.00 -0.19 0.00 -0.04 0.00 0.00 63.50 63.14 2csf n PRO 64 Cb 0.62 -1.48 -0.14 0.00 -0.04 0.00 0.00 33.50 32.46 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 0.24 -6.42 0.54 5.08 -1.99 -3.44 114.58 108.59 2csf h GLU 65 Ca 0.00 -0.41 -0.58 0.00 -1.00 0.00 0.00 59.36 57.37 2csf h GLU 65 Cb 0.00 0.15 -0.09 0.00 0.50 0.00 0.00 28.75 29.31 2csf h GLU 65 CO 0.00 1.10 0.76 1.21 -1.00 0.00 0.00 179.01 181.08 2csf s ASN 66 N -6.91 6.55 -0.01 1.42 3.84 -1.07 -4.94 114.94 113.82 2csf s ASN 66 Ca -0.17 0.25 -0.05 0.00 0.21 0.00 0.00 52.86 53.09 2csf s ASN 66 Cb 0.07 -2.50 -0.03 0.00 -0.55 0.00 0.00 41.25 38.24 2csf s ASN 66 CO 0.80 -1.18 0.54 0.03 -2.79 0.00 0.00 177.10 174.50 2csf h ARG 67 N 9.19 -0.17 -1.44 0.43 2.47 -1.86 0.87 114.38 123.87 2csf h ARG 67 Ca -0.24 0.01 0.43 0.00 -1.26 0.00 0.00 59.98 58.92 2csf h ARG 67 Cb 1.07 0.04 -0.08 0.00 -1.65 0.00 0.00 29.97 29.35 2csf h ARG 67 CO 1.09 -0.12 1.01 1.15 0.56 0.00 0.00 179.97 183.66 2csf h THR 68 N -0.33 0.24 0.00 2.04 2.02 -1.99 0.47 112.91 115.35 2csf h THR 68 Ca -0.02 -0.02 0.00 0.00 0.77 0.00 0.00 66.41 67.14 2csf h THR 68 Cb 0.14 0.17 0.00 0.00 -1.74 0.00 0.00 68.15 66.72 2csf h THR 68 CO 0.03 0.01 -0.11 0.25 0.37 0.00 0.00 175.52 176.07 2csf h LEU 69 N 0.06 0.00 -0.81 2.58 5.85 -1.95 -3.33 115.31 117.72 2csf h LEU 69 Ca 0.74 0.00 0.17 0.00 0.84 0.00 0.00 57.88 59.63 2csf h LEU 69 Cb 2.71 0.00 -0.15 0.00 0.37 0.00 0.00 40.66 43.59 2csf h LEU 69 CO -0.13 0.19 -0.14 -0.25 -0.34 0.00 0.00 178.44 177.76 2csf h TRP 70 N -0.26 -0.32 -0.01 1.25 2.91 0.11 0.81 115.95 120.44 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 0.11 0.27 -0.01 0.00 -0.51 0.00 0.00 29.16 29.03 2csf h TRP 70 CO -0.05 -0.33 -0.05 0.93 -1.03 0.00 0.00 178.44 177.91 2csf h GLU 71 N 0.02 -0.05 -0.10 2.65 5.08 -0.20 0.39 114.58 122.38 2csf h GLU 71 Ca 0.41 0.00 0.04 0.00 -1.00 0.00 0.00 59.36 58.82 2csf h GLU 71 Cb 0.67 0.01 -0.06 0.00 0.50 0.00 0.00 28.75 29.87 2csf h GLU 71 CO -0.81 -0.03 -0.35 -0.91 -1.00 0.00 0.00 179.01 175.92 2csf h ASN 72 N -0.05 -1.07 0.00 1.42 2.35 -1.50 0.26 115.58 116.99 2csf h ASN 72 Ca 0.00 0.15 0.00 0.00 -0.55 0.00 0.00 56.30 55.90 2csf h ASN 72 Cb 0.06 0.44 0.00 0.00 0.05 0.00 0.00 38.32 38.87 2csf h ASN 72 CO -0.04 -0.38 0.29 -0.07 -1.65 0.00 0.00 177.43 175.58 2csf h LEU 73 N -0.44 0.00 0.06 1.61 3.38 -0.64 -0.99 115.31 118.29 2csf h LEU 73 Ca 0.08 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.05 2csf h LEU 73 Cb 0.57 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.32 2csf h LEU 73 CO -0.35 0.00 -0.03 0.00 0.09 0.00 0.00 178.44 178.15 2csf h THR 75 N -0.75 1.22 -0.19 0.00 1.03 -0.93 -2.48 112.91 110.81 2csf h THR 75 Ca -0.01 -0.71 -0.03 0.00 -0.01 0.00 0.00 66.41 65.65 2csf h THR 75 Cb 0.61 0.67 -0.01 0.00 -1.07 0.00 0.00 68.15 68.35 2csf h THR 75 CO 0.01 0.27 -0.02 0.40 -0.01 0.00 0.00 175.52 176.17 2csf h ILE 76 N 0.74 1.13 -0.50 0.00 2.04 -1.49 -2.35 117.51 117.08 2csf h ILE 76 Ca 0.18 -0.53 -0.10 0.00 1.00 0.00 0.00 64.86 65.40 2csf h ILE 76 Cb 0.22 1.02 -0.02 0.00 -0.74 0.00 0.00 36.82 37.30 2csf h ILE 76 CO -0.01 0.18 -0.09 -0.09 0.00 0.00 0.00 178.15 178.13 2csf h ARG 77 N 0.27 0.94 -0.02 2.37 9.65 -0.99 -2.83 114.38 123.76 2csf h ARG 77 Ca 0.06 -0.35 -0.08 0.00 -1.10 0.00 0.00 59.98 58.51 2csf h ARG 77 Cb 0.22 -0.06 -0.01 0.00 -1.39 0.00 0.00 29.97 28.73 2csf h ARG 77 CO 0.01 1.01 -0.37 0.00 2.80 0.00 0.00 179.97 183.41 2csf h ARG 78 N 0.80 0.05 0.14 0.20 3.08 -1.10 -2.91 114.38 114.64 2csf h ARG 78 Ca 0.13 -0.02 -0.01 0.00 0.07 0.00 0.00 59.98 60.15 2csf h ARG 78 Cb 0.64 -0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.69 2csf h ARG 78 CO 0.04 0.42 -0.07 0.35 -1.07 0.00 0.00 179.97 179.64 2csf h PHE 79 N 0.04 -0.18 0.00 3.04 3.04 -1.20 -2.69 116.94 119.00 2csf h PHE 79 Ca 0.00 -0.00 -0.00 0.00 3.98 0.00 0.00 57.97 61.95 2csf h PHE 79 Cb 0.68 0.06 -0.00 0.00 2.56 0.00 0.00 35.95 39.25 2csf h PHE 79 CO 0.00 0.02 -0.00 -0.07 -2.02 0.00 0.00 178.31 176.24 2csf h LEU 80 N -0.35 0.00 -1.16 0.59 3.38 -1.45 -0.00 115.31 116.31 2csf h LEU 80 Ca -0.02 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.95 2csf h LEU 80 Cb 0.27 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.02 2csf h LEU 80 CO 0.03 0.00 0.00 0.59 0.09 0.00 0.00 178.44 179.16 2csf n ASN 81 N -4.51 0.64 -4.80 -0.43 3.02 -1.02 -4.72 115.26 103.45 2csf n ASN 81 Ca -0.03 0.73 -0.33 0.00 -0.03 0.00 0.00 54.58 54.92 2csf n ASN 81 Cb 0.09 -0.84 0.01 0.00 -0.61 0.00 0.00 39.78 38.43 2csf n ASN 81 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 2csf s LEU 82 N -4.58 3.54 0.49 3.41 1.43 -0.02 -5.01 118.68 117.93 2csf s LEU 82 Ca 0.00 1.85 -0.22 0.00 -1.03 0.00 0.00 54.13 54.74 2csf s LEU 82 Cb 0.08 -4.54 -0.07 0.00 0.03 0.00 0.00 46.19 41.69 2csf s LEU 82 CO 0.29 -1.15 1.15 -2.16 0.23 0.00 0.00 176.35 174.71 2csf s PRO 83 N -3.96 3.63 0.30 1.29 0.04 -1.26 -4.73 135.00 130.31 2csf s PRO 83 Ca 0.64 1.72 0.05 0.00 0.04 0.00 0.00 61.00 63.45 2csf s PRO 83 Cb -0.17 -2.28 0.79 0.00 0.04 0.00 0.00 34.50 32.89 2csf s PRO 83 CO 0.35 -0.64 1.66 0.37 0.04 0.00 0.00 177.00 178.78 2csf h GLN 84 N 1.78 0.26 -0.01 4.56 5.75 -1.95 1.05 115.11 126.55 2csf h GLN 84 Ca -0.50 -0.02 -0.01 0.00 -0.15 0.00 0.00 58.65 57.98 2csf h GLN 84 Cb 1.25 -0.06 -0.00 0.00 1.07 0.00 0.00 27.48 29.74 2csf h GLN 84 CO 0.59 0.17 -0.03 1.12 -2.65 0.00 0.00 178.83 178.04 2csf h HIS 85 N 0.27 0.01 0.04 3.99 2.07 -2.00 -1.98 115.15 117.55 2csf h HIS 85 Ca 0.59 0.00 -0.00 0.00 -2.85 0.00 0.00 60.37 58.11 2csf h HIS 85 Cb 1.22 -0.00 0.00 0.00 2.57 0.00 0.00 27.41 31.19 2csf h HIS 85 CO -0.19 0.03 -0.02 0.93 -3.07 0.00 0.00 177.93 175.61 2csf h GLU 86 N 0.01 -0.05 -0.94 5.12 4.39 0.76 -3.17 114.58 120.69 2csf h GLU 86 Ca 0.00 0.00 0.23 0.00 0.34 0.00 0.00 59.36 59.94 2csf h GLU 86 Cb 0.05 0.01 -0.17 0.00 -0.10 0.00 0.00 28.75 28.54 2csf h GLU 86 CO 0.00 -0.04 -0.05 0.00 -1.16 0.00 0.00 179.01 177.77 2csf h ARG 87 N -0.28 0.02 -0.94 2.33 3.08 -1.31 0.92 114.38 118.19 2csf h ARG 87 Ca -0.01 -0.00 0.13 0.00 0.07 0.00 0.00 59.98 60.17 2csf h ARG 87 Cb 0.04 -0.01 -0.09 0.00 0.08 0.00 0.00 29.97 30.00 2csf h ARG 87 CO 0.01 0.02 0.57 0.22 -1.07 0.00 0.00 179.97 179.71 2csf h ASP 88 N 0.02 0.79 0.03 7.04 3.58 -1.50 -1.51 116.42 124.88 2csf h ASP 88 Ca 0.53 0.06 -0.00 0.00 0.42 0.00 0.00 57.03 58.04 2csf h ASP 88 Cb 0.99 -0.09 0.00 0.00 1.72 0.00 0.00 39.33 41.96 2csf h ASP 88 CO -0.90 0.39 -0.02 0.58 -2.88 0.00 0.00 179.24 176.42 2csf h VAL 89 N 0.86 1.08 -0.15 2.25 2.07 0.88 -1.08 116.25 122.16 2csf h VAL 89 Ca 0.48 -0.36 0.05 0.00 0.82 0.00 0.00 66.70 67.69 2csf h VAL 89 Cb 0.55 1.33 -0.05 0.00 -1.52 0.00 0.00 31.29 31.60 2csf h VAL 89 CO -0.30 0.09 -0.17 0.40 0.02 0.00 0.00 177.57 177.61 2csf h ILE 90 N -0.20 0.55 -0.67 4.57 2.04 -0.73 0.20 117.51 123.26 2csf h ILE 90 Ca -0.00 0.00 0.03 0.00 1.00 0.00 0.00 64.86 65.89 2csf h ILE 90 Cb 0.19 0.55 -0.04 0.00 -0.74 0.00 0.00 36.82 36.77 2csf h ILE 90 CO 0.01 0.00 0.42 1.88 0.00 0.00 0.00 178.15 180.45 2csf h TYR 91 N -0.21 0.78 0.80 1.37 0.05 -1.26 -0.44 116.97 118.06 2csf h TYR 91 Ca 0.10 0.02 -0.04 0.00 0.05 0.00 0.00 58.73 58.87 2csf h TYR 91 Cb 0.36 -0.25 0.01 0.00 1.01 0.00 0.00 36.73 37.85 2csf h TYR 91 CO -0.29 0.44 -0.38 0.93 -1.05 0.00 0.00 178.16 177.80 2csf h GLU 92 N 0.81 -1.03 -0.63 4.88 5.08 -0.52 0.38 114.58 123.55 2csf h GLU 92 Ca 0.27 0.07 0.12 0.00 -1.00 0.00 0.00 59.36 58.82 2csf h GLU 92 Cb 0.03 0.24 -0.09 0.00 0.50 0.00 0.00 28.75 29.42 2csf h GLU 92 CO -0.11 -0.68 0.14 0.93 -1.00 0.00 0.00 179.01 178.29 2csf h GLU 93 N -1.18 0.25 0.13 2.33 4.39 -0.52 -3.10 114.58 116.89 2csf h GLU 93 Ca -0.11 -0.02 -0.01 0.00 0.34 0.00 0.00 59.36 59.57 2csf h GLU 93 Cb 0.84 -0.06 0.00 0.00 -0.10 0.00 0.00 28.75 29.43 2csf h GLU 93 CO 0.18 0.17 -0.06 1.49 -1.16 0.00 0.00 179.01 179.63 2csf h GLU 94 N 0.26 -0.17 -5.51 2.33 4.57 -1.01 -3.42 114.58 111.63 2csf h GLU 94 Ca 0.34 0.01 -0.60 0.00 -1.18 0.00 0.00 59.36 57.92 2csf h GLU 94 Cb 0.51 0.04 -0.11 0.00 -0.16 0.00 0.00 28.75 29.03 2csf h GLU 94 CO -0.43 -0.11 0.03 0.45 -1.18 0.00 0.00 179.01 177.77 2csf s SER 95 N -2.80 6.55 0.00 1.04 0.15 0.13 -4.96 113.70 113.82 2csf s SER 95 Ca -0.03 0.67 -0.19 0.00 0.70 0.00 0.00 55.95 57.10 2csf s SER 95 Cb 0.00 -2.31 -0.26 0.00 -1.71 0.00 0.00 66.02 61.75 2csf s SER 95 CO 0.08 -0.26 1.06 -1.28 1.20 0.00 0.00 173.24 174.04 2csf h SER 96 N 7.68 0.58 -4.67 5.45 0.87 -1.82 -3.37 113.55 118.26 2csf h SER 96 Ca -0.31 -0.81 -0.44 0.00 -1.23 0.00 0.00 61.79 59.00 2csf h SER 96 Cb 1.14 -0.18 0.13 0.00 -0.44 0.00 0.00 62.40 63.05 2csf h SER 96 CO 0.75 1.32 0.27 0.61 -0.53 0.00 0.00 176.83 179.24 2csf n GLY 97 N 1.25 -0.43 0.00 5.77 0.00 -1.26 -4.95 105.19 105.57 2csf n GLY 97 Ca -0.12 -1.87 0.07 0.00 0.00 0.00 0.00 46.02 44.11 2csf n GLY 97 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2csf n PRO 98 N -3.31 0.25 -3.44 1.61 -0.04 -1.26 -4.86 135.00 123.95 2csf n PRO 98 Ca 0.16 0.12 -0.20 0.00 -0.04 0.00 0.00 63.50 63.55 2csf n PRO 98 Cb 0.58 -1.50 0.07 0.00 -0.04 0.00 0.00 33.50 32.61 2csf n PRO 98 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 2csf n SER 99 N -1.24 -5.04 -0.05 3.54 2.88 -1.26 -4.46 113.62 107.98 2csf n SER 99 Ca 0.08 -0.50 -0.22 0.00 -1.33 0.00 0.00 58.87 56.90 2csf n SER 99 Cb 0.11 -4.59 -0.13 0.00 -0.75 0.00 0.00 64.21 58.85 2csf n SER 99 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 2csf n SER 100 N -2.64 2.01 0.00 -3.46 3.41 -1.26 -4.33 113.62 107.35 2csf n SER 100 Ca -0.05 0.29 0.00 0.00 -0.26 0.00 0.00 58.87 58.84 2csf n SER 100 Cb 0.58 -0.89 0.00 0.00 -0.26 0.00 0.00 64.21 63.64 2csf n SER 100 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49