#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 -0.86 0.25 1.61 1.04 -1.26 -5.04 113.70 109.44 2csf s SER 2 Ca 0.00 1.08 -0.10 0.00 0.48 0.00 0.00 55.95 57.40 2csf s SER 2 Cb 0.00 1.92 0.36 0.00 0.10 0.00 0.00 66.02 68.40 2csf s SER 2 CO 0.00 -0.24 1.59 -1.28 0.98 0.00 0.00 173.24 174.29 2csf h SER 3 N 8.06 -0.74 -4.48 7.02 0.87 -2.14 -3.47 113.55 118.67 2csf h SER 3 Ca -0.19 0.24 0.00 0.00 -1.23 0.00 0.00 61.79 60.61 2csf h SER 3 Cb 1.13 0.50 0.00 0.00 -0.44 0.00 0.00 62.40 63.59 2csf h SER 3 CO 0.17 -0.27 0.00 0.61 -0.53 0.00 0.00 176.83 176.82 2csf n GLY 4 N -1.53 3.21 3.79 5.77 0.00 -1.26 -5.13 105.19 110.03 2csf n GLY 4 Ca 0.12 -1.87 -0.24 0.00 0.00 0.00 0.00 46.02 44.03 2csf n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2csf s SER 5 N 0.00 4.60 -0.25 1.61 0.01 -1.26 -5.07 113.70 113.34 2csf s SER 5 Ca 0.00 -1.01 -0.00 0.00 1.31 0.00 0.00 55.95 56.25 2csf s SER 5 Cb 0.00 -0.44 -0.16 0.00 0.21 0.00 0.00 66.02 65.63 2csf s SER 5 CO 0.00 -0.61 -0.24 -1.20 0.41 0.00 0.00 173.24 171.60 2csf n SER 6 N -1.35 2.04 0.00 2.44 7.64 -1.26 -5.13 113.62 118.00 2csf n SER 6 Ca -0.00 -0.07 0.00 0.00 1.01 0.00 0.00 58.87 59.80 2csf n SER 6 Cb 0.64 -0.45 0.00 0.00 -1.01 0.00 0.00 64.21 63.39 2csf n SER 6 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2csf n GLY 7 N 2.18 0.37 3.59 0.23 0.00 -1.26 -5.00 105.19 105.30 2csf n GLY 7 Ca -0.45 -2.29 -0.42 0.00 0.00 0.00 0.00 46.02 42.85 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 -0.27 3.30 -0.41 1.61 0.04 -1.26 -4.95 135.00 133.06 2csf s PRO 8 Ca 0.00 1.22 -0.29 0.00 0.04 0.00 0.00 61.00 61.97 2csf s PRO 8 Cb 0.00 -4.18 0.01 0.00 0.04 0.00 0.00 34.50 30.37 2csf s PRO 8 CO 0.00 -1.90 1.36 0.42 0.04 0.00 0.00 177.00 176.92 2csf s ILE 9 N 6.82 3.97 -0.55 0.56 -1.09 -1.26 -4.90 121.20 124.76 2csf s ILE 9 Ca 0.74 1.01 0.03 0.00 -2.23 0.00 0.00 60.65 60.20 2csf s ILE 9 Cb -0.19 -4.25 0.41 0.00 -1.58 0.00 0.00 42.46 36.85 2csf s ILE 9 CO 0.32 -0.76 1.49 2.29 -1.23 0.00 0.00 174.94 177.06 2csf n LYS 10 N 7.95 3.19 0.08 2.79 0.00 -1.26 -4.64 118.16 126.26 2csf n LYS 10 Ca 0.16 -4.02 0.12 0.00 -0.00 0.00 0.00 58.31 54.57 2csf n LYS 10 Cb 0.48 -2.27 0.16 0.00 -0.00 0.00 0.00 35.03 33.40 2csf n LYS 10 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 177.40 177.01 2csf h VAL 11 N 2.13 0.00 -4.02 0.58 -1.51 -2.03 -3.46 116.25 107.94 2csf h VAL 11 Ca 0.43 -0.59 -0.49 0.00 -1.23 0.00 0.00 66.70 64.82 2csf h VAL 11 Cb 0.80 1.19 0.05 0.00 -2.13 0.00 0.00 31.29 31.19 2csf h VAL 11 CO 1.09 0.00 0.44 -1.81 -1.23 0.00 0.00 177.57 176.06 2csf s ASP 12 N -4.49 6.29 0.00 4.19 1.01 -1.26 -4.82 116.67 117.58 2csf s ASP 12 Ca 0.05 2.15 0.00 0.00 0.71 0.00 0.00 52.55 55.47 2csf s ASP 12 Cb 0.12 -2.59 0.00 0.00 1.01 0.00 0.00 42.92 41.47 2csf s ASP 12 CO 0.72 -0.83 0.00 0.61 0.21 0.00 0.00 175.17 175.89 2csf n GLY 13 N 0.26 0.54 0.40 0.21 0.00 -1.26 -5.10 105.19 100.24 2csf n GLY 13 Ca 0.08 -0.51 0.00 0.00 0.00 0.00 0.00 46.02 45.59 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 0.00 2.30 -1.63 4.61 0.00 -1.26 -5.04 120.51 119.50 2csf n ALA 14 Ca 0.00 0.00 -0.56 0.00 0.00 0.00 0.00 53.44 52.88 2csf n ALA 14 Cb 0.00 0.34 -0.07 0.00 0.00 0.00 0.00 19.45 19.72 2csf n ALA 14 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.50 177.77 2csf n ASN 15 N -2.38 2.26 -3.26 0.00 6.94 -1.26 -4.72 115.26 112.84 2csf n ASN 15 Ca 0.00 0.91 -0.44 0.00 -0.02 0.00 0.00 54.58 55.03 2csf n ASN 15 Cb 0.34 -1.15 -0.06 0.00 -2.36 0.00 0.00 39.78 36.55 2csf n ASN 15 CO 0.00 0.00 0.00 -0.38 -1.03 0.00 0.00 177.26 175.85 2csf n ILE 16 N 5.29 0.00 -3.24 1.53 5.41 -1.26 -4.85 119.36 122.24 2csf n ILE 16 Ca 0.31 0.00 -0.45 0.00 1.00 0.00 0.00 62.75 63.61 2csf n ILE 16 Cb 0.14 -0.08 -0.05 0.00 -0.71 0.00 0.00 39.64 38.93 2csf n ILE 16 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 176.55 176.76 2csf s ASN 17 N 0.50 6.18 0.40 4.38 3.84 -1.26 -5.06 114.94 123.93 2csf s ASN 17 Ca 0.67 -1.48 -0.22 0.00 0.21 0.00 0.00 52.86 52.04 2csf s ASN 17 Cb -0.95 -2.25 -0.11 0.00 -0.55 0.00 0.00 41.25 37.40 2csf s ASN 17 CO 0.45 -0.91 0.95 -0.63 -2.79 0.00 0.00 177.10 174.16 2csf s ILE 18 N 2.10 4.34 0.08 -5.21 -1.09 -1.26 -5.07 121.20 115.08 2csf s ILE 18 Ca 0.07 1.58 -0.10 0.00 -2.23 0.00 0.00 60.65 59.98 2csf s ILE 18 Cb -0.26 -3.71 0.00 0.00 -1.58 0.00 0.00 42.46 36.92 2csf s ILE 18 CO 0.06 -0.20 0.21 0.42 -1.23 0.00 0.00 174.94 174.20 2csf s THR 19 N -2.03 0.13 0.45 2.92 -4.23 -1.26 -4.87 115.64 106.75 2csf s THR 19 Ca 0.59 -1.06 0.24 0.00 -1.18 0.00 0.00 61.69 60.28 2csf s THR 19 Cb -0.12 -1.24 0.44 0.00 1.34 0.00 0.00 72.50 72.93 2csf s THR 19 CO 0.16 -0.59 1.81 0.00 -0.54 0.00 0.00 174.62 175.47 2csf h ALA 20 N 2.86 2.51 -1.06 3.99 0.00 -1.90 0.15 119.26 125.82 2csf h ALA 20 Ca -0.34 0.02 0.29 0.00 0.00 0.00 0.00 54.91 54.88 2csf h ALA 20 Cb 1.20 0.04 -0.07 0.00 0.00 0.00 0.00 17.79 18.96 2csf h ALA 20 CO 0.54 -0.86 0.72 0.00 0.00 0.00 0.00 179.25 179.65 2csf h ALA 21 N 1.56 2.59 -1.26 0.00 0.00 -1.98 0.49 119.26 120.66 2csf h ALA 21 Ca 0.54 0.01 0.38 0.00 0.00 0.00 0.00 54.91 55.84 2csf h ALA 21 Cb 1.63 0.05 -0.10 0.00 0.00 0.00 0.00 17.79 19.37 2csf h ALA 21 CO -0.17 -0.95 0.84 0.97 0.00 0.00 0.00 179.25 179.94 2csf h ILE 22 N 0.22 0.28 -0.16 0.00 2.10 -1.11 0.39 117.51 119.22 2csf h ILE 22 Ca 0.55 -0.06 -0.03 0.00 1.08 0.00 0.00 64.86 66.41 2csf h ILE 22 Cb 1.75 0.10 -0.01 0.00 -1.09 0.00 0.00 36.82 37.57 2csf h ILE 22 CO -0.16 0.03 -0.02 1.88 -1.08 0.00 0.00 178.15 178.80 2csf h TYR 23 N 0.16 0.33 -0.23 2.19 0.05 -1.10 -2.77 116.97 115.60 2csf h TYR 23 Ca 0.72 -0.06 0.00 0.00 0.05 0.00 0.00 58.73 59.44 2csf h TYR 23 Cb 2.29 -0.08 -0.01 0.00 1.01 0.00 0.00 36.73 39.93 2csf h TYR 23 CO -0.00 0.54 0.15 -0.44 -1.05 0.00 0.00 178.16 177.36 2csf h ASP 24 N 0.02 0.26 -0.84 3.88 3.32 -0.41 -2.21 116.42 120.44 2csf h ASP 24 Ca 0.04 -0.01 0.15 0.00 0.02 0.00 0.00 57.03 57.24 2csf h ASP 24 Cb 0.42 -0.07 -0.06 0.00 0.22 0.00 0.00 39.33 39.84 2csf h ASP 24 CO 0.01 0.19 0.55 -0.33 -1.72 0.00 0.00 179.24 177.95 2csf h GLU 25 N 0.31 0.54 -0.34 3.56 5.08 -1.26 -0.95 114.58 121.52 2csf h GLU 25 Ca 0.08 -0.03 -0.04 0.00 -1.00 0.00 0.00 59.36 58.37 2csf h GLU 25 Cb -0.03 -0.12 -0.01 0.00 0.50 0.00 0.00 28.75 29.08 2csf h GLU 25 CO -0.02 0.36 0.07 0.82 -1.00 0.00 0.00 179.01 179.24 2csf h ILE 26 N 0.56 1.23 0.51 3.13 2.04 -1.11 0.40 117.51 124.26 2csf h ILE 26 Ca 0.42 -0.79 -0.02 0.00 1.00 0.00 0.00 64.86 65.47 2csf h ILE 26 Cb 0.82 1.09 0.00 0.00 -0.74 0.00 0.00 36.82 38.00 2csf h ILE 26 CO -0.17 0.26 -0.24 1.56 0.00 0.00 0.00 178.15 179.56 2csf h GLN 27 N 0.39 -0.66 -0.03 2.37 4.20 -0.90 -2.07 115.11 118.41 2csf h GLN 27 Ca 0.10 0.04 -0.00 0.00 0.06 0.00 0.00 58.65 58.86 2csf h GLN 27 Cb 0.33 0.15 -0.00 0.00 0.30 0.00 0.00 27.48 28.25 2csf h GLN 27 CO 0.00 -0.43 0.01 1.96 -0.67 0.00 0.00 178.83 179.70 2csf h GLN 28 N -0.70 0.05 -1.01 1.46 4.20 -1.37 -2.86 115.11 114.88 2csf h GLN 28 Ca -0.07 -0.01 0.28 0.00 0.06 0.00 0.00 58.65 58.91 2csf h GLN 28 Cb 0.53 -0.01 -0.13 0.00 0.30 0.00 0.00 27.48 28.17 2csf h GLN 28 CO 0.11 0.25 0.60 1.49 -0.67 0.00 0.00 178.83 180.61 2csf h GLU 29 N -0.16 0.44 0.69 1.46 4.57 -0.18 0.96 114.58 122.36 2csf h GLU 29 Ca 0.01 -0.03 -0.03 0.00 -1.18 0.00 0.00 59.36 58.13 2csf h GLU 29 Cb 0.22 -0.10 0.01 0.00 -0.16 0.00 0.00 28.75 28.72 2csf h GLU 29 CO -0.00 0.29 -0.33 0.52 -1.18 0.00 0.00 179.01 178.31 2csf h MET 30 N 0.45 -0.90 -0.05 1.92 2.86 -1.15 0.15 114.93 118.22 2csf h MET 30 Ca 0.69 0.06 0.01 0.00 -2.06 0.00 0.00 59.70 58.40 2csf h MET 30 Cb 1.47 0.20 -0.00 0.00 0.06 0.00 0.00 31.60 33.33 2csf h MET 30 CO -0.52 -0.57 0.12 1.57 1.06 0.00 0.00 176.91 178.57 2csf h LYS 31 N -1.10 0.00 0.17 1.72 5.09 -1.06 0.88 116.57 122.26 2csf h LYS 31 Ca -0.10 0.00 -0.29 0.00 0.09 0.00 0.00 60.65 60.36 2csf h LYS 31 Cb 0.74 0.00 0.02 0.00 0.10 0.00 0.00 32.23 33.09 2csf h LYS 31 CO 0.16 0.00 -1.37 -0.09 -2.09 0.00 0.00 179.45 176.06 2csf h ARG 32 N 0.00 0.36 -0.00 0.07 9.65 -0.52 -3.32 114.38 120.62 2csf h ARG 32 Ca 0.02 -0.62 0.00 0.00 -1.10 0.00 0.00 59.98 58.28 2csf h ARG 32 Cb 0.25 0.23 0.00 0.00 -1.39 0.00 0.00 29.97 29.07 2csf h ARG 32 CO -0.00 1.30 -0.31 0.00 2.80 0.00 0.00 179.97 183.76 2csf n ALA 33 N -2.82 3.09 -3.10 2.80 0.00 0.50 -4.95 120.51 116.03 2csf n ALA 33 Ca -0.21 -0.27 -0.14 0.00 0.00 0.00 0.00 53.44 52.83 2csf n ALA 33 Cb 0.97 -1.25 0.06 0.00 0.00 0.00 0.00 19.45 19.23 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 -1.44 -4.92 -4.76 0.00 4.76 0.29 -4.99 118.16 107.11 2csf n LYS 34 Ca 0.07 0.56 -0.33 0.00 -2.87 0.00 0.00 58.31 55.74 2csf n LYS 34 Cb 0.33 -4.76 -0.07 0.00 -1.84 0.00 0.00 35.03 28.69 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 -3.23 1.07 0.21 -0.18 -7.23 -0.86 -4.36 120.40 105.82 2csf s VAL 35 Ca 0.21 -2.00 0.10 0.00 -1.81 0.00 0.00 61.98 58.47 2csf s VAL 35 Cb -0.09 -2.11 -0.04 0.00 0.56 0.00 0.00 36.38 34.70 2csf s VAL 35 CO 0.49 0.00 -0.11 -0.55 -0.31 0.00 0.00 175.10 174.62 2csf s SER 36 N -3.88 4.14 0.48 4.85 0.15 -1.26 -4.62 113.70 113.57 2csf s SER 36 Ca 0.04 -0.67 0.33 0.00 0.70 0.00 0.00 55.95 56.36 2csf s SER 36 Cb 0.01 -0.65 1.45 0.00 -1.71 0.00 0.00 66.02 65.13 2csf s SER 36 CO 0.02 0.08 1.70 1.56 1.20 0.00 0.00 173.24 177.81 2csf h GLN 37 N 2.71 0.11 -0.28 5.44 4.20 -1.97 0.56 115.11 125.88 2csf h GLN 37 Ca -0.46 -0.01 -0.08 0.00 0.06 0.00 0.00 58.65 58.16 2csf h GLN 37 Cb 1.22 -0.02 -0.01 0.00 0.30 0.00 0.00 27.48 28.97 2csf h GLN 37 CO 0.55 0.07 -0.15 0.00 -0.67 0.00 0.00 178.83 178.63 2csf h ALA 38 N 1.44 0.39 0.37 3.87 0.00 -1.92 -2.52 119.26 120.89 2csf h ALA 38 Ca 0.71 -0.33 -0.02 0.00 0.00 0.00 0.00 54.91 55.28 2csf h ALA 38 Cb 2.46 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 20.16 2csf h ALA 38 CO -0.19 0.29 -0.18 1.25 0.00 0.00 0.00 179.25 180.42 2csf h LEU 39 N 0.33 -0.42 -1.21 0.00 5.85 -0.30 0.97 115.31 120.52 2csf h LEU 39 Ca 0.06 0.01 0.37 0.00 0.84 0.00 0.00 57.88 59.16 2csf h LEU 39 Cb 0.67 0.11 -0.14 0.00 0.37 0.00 0.00 40.66 41.67 2csf h LEU 39 CO 0.04 -0.18 0.69 0.15 -0.34 0.00 0.00 178.44 178.81 2csf h PHE 40 N -0.74 0.72 0.00 1.25 3.04 -1.33 1.81 116.94 121.69 2csf h PHE 40 Ca -0.05 0.03 -0.10 0.00 3.98 0.00 0.00 57.97 61.83 2csf h PHE 40 Cb 0.38 -0.19 -0.01 0.00 2.56 0.00 0.00 35.95 38.69 2csf h PHE 40 CO 0.05 -0.19 -0.55 0.00 -2.02 0.00 0.00 178.31 175.61 2csf h ALA 41 N 1.73 0.71 0.00 2.41 0.00 -1.44 0.07 119.26 122.74 2csf h ALA 41 Ca 0.76 -0.43 -0.15 0.00 0.00 0.00 0.00 54.91 55.09 2csf h ALA 41 Cb 2.08 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 19.81 2csf h ALA 41 CO -0.51 0.56 -0.89 -0.22 0.00 0.00 0.00 179.25 178.19 2csf h LYS 42 N 0.00 0.00 0.00 0.00 3.11 0.51 2.07 116.57 122.26 2csf h LYS 42 Ca -0.02 0.00 0.00 0.00 -2.81 0.00 0.00 60.65 57.82 2csf h LYS 42 Cb 1.35 0.00 0.00 0.00 -1.00 0.00 0.00 32.23 32.58 2csf h LYS 42 CO 0.05 0.56 -1.02 1.33 -2.81 0.00 0.00 179.45 177.56 2csf n VAL 43 N -3.16 0.00 -0.07 2.00 0.24 0.20 -3.36 118.33 114.18 2csf n VAL 43 Ca -0.02 -0.12 -0.07 0.00 -2.04 0.00 0.00 64.34 62.08 2csf n VAL 43 Cb 0.82 0.85 -0.02 0.00 -1.47 0.00 0.00 33.84 34.02 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 -1.55 1.10 0.57 2.33 0.00 0.01 -4.75 120.51 118.22 2csf n ALA 44 Ca 0.02 -0.69 0.06 0.00 0.00 0.00 0.00 53.44 52.84 2csf n ALA 44 Cb 0.32 0.05 0.01 0.00 0.00 0.00 0.00 19.45 19.84 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 -4.23 2.84 -2.01 0.00 0.00 -0.69 -4.32 120.51 112.11 2csf n ALA 45 Ca -0.11 -0.52 -0.21 0.00 0.00 0.00 0.00 53.44 52.60 2csf n ALA 45 Cb 0.43 -0.45 -0.05 0.00 0.00 0.00 0.00 19.45 19.38 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 0.08 -5.74 -4.23 0.00 5.15 0.66 -4.93 115.26 106.26 2csf n ASN 46 Ca 0.06 0.25 -0.16 0.00 -0.60 0.00 0.00 54.58 54.13 2csf n ASN 46 Cb 0.29 -4.92 0.07 0.00 -0.53 0.00 0.00 39.78 34.69 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 -2.71 0.48 -3.63 1.20 4.76 0.94 -4.82 118.16 114.39 2csf n LYS 47 Ca -0.23 -2.37 -0.34 0.00 -2.87 0.00 0.00 58.31 52.51 2csf n LYS 47 Cb 0.69 -0.30 -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 -3.96 6.57 0.23 4.39 0.01 -1.26 -3.68 113.70 116.00 2csf s SER 48 Ca 0.49 0.70 -0.12 0.00 1.31 0.00 0.00 55.95 58.33 2csf s SER 48 Cb -0.04 -2.14 0.31 0.00 0.21 0.00 0.00 66.02 64.37 2csf s SER 48 CO 0.32 0.14 1.41 1.67 0.41 0.00 0.00 173.24 177.19 2csf n GLN 49 N 0.65 -0.15 -0.34 12.44 7.27 -1.26 0.13 117.38 136.12 2csf n GLN 49 Ca -0.06 1.40 0.24 0.00 0.07 0.00 0.00 57.00 58.64 2csf n GLN 49 Cb 0.52 -2.09 0.48 0.00 2.41 0.00 0.00 30.24 31.56 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 1.94 1.40 1.69 0.00 -1.94 0.63 103.07 106.80 2csf h GLY 50 Ca 0.37 -0.24 -0.16 0.00 0.00 0.00 0.00 47.33 47.30 2csf h GLY 50 CO -0.91 -0.42 -0.52 -0.25 0.00 0.00 0.00 176.54 174.43 2csf h TRP 51 N 0.35 0.79 0.23 5.60 7.01 0.68 -3.09 115.95 127.53 2csf h TRP 51 Ca 0.72 -0.27 -0.01 0.00 2.11 0.00 0.00 58.89 61.43 2csf h TRP 51 Cb 1.65 -0.15 0.00 0.00 -2.10 0.00 0.00 29.16 28.56 2csf h TRP 51 CO -0.01 1.02 -0.11 1.25 -2.79 0.00 0.00 178.44 177.80 2csf h LEU 52 N 0.49 -0.27 -0.88 0.65 7.12 0.38 -3.21 115.31 119.60 2csf h LEU 52 Ca 0.02 0.01 0.18 0.00 0.13 0.00 0.00 57.88 58.21 2csf h LEU 52 Cb 1.08 0.07 -0.17 0.00 -0.53 0.00 0.00 40.66 41.11 2csf h LEU 52 CO 0.10 0.17 -0.22 0.00 -0.13 0.00 0.00 178.44 178.36 2csf h GLU 54 N 0.00 -0.56 -1.07 0.00 5.08 -1.65 0.02 114.58 116.40 2csf h GLU 54 Ca 0.42 0.04 0.40 0.00 -1.00 0.00 0.00 59.36 59.22 2csf h GLU 54 Cb 0.64 0.13 -0.16 0.00 0.50 0.00 0.00 28.75 29.86 2csf h GLU 54 CO -0.90 -0.37 0.61 -0.07 -1.00 0.00 0.00 179.01 177.28 2csf h LEU 55 N -0.58 0.35 0.00 1.33 4.07 -0.35 2.03 115.31 122.16 2csf h LEU 55 Ca 0.03 0.22 -0.16 0.00 0.08 0.00 0.00 57.88 58.05 2csf h LEU 55 Cb 0.62 0.21 -0.02 0.00 1.08 0.00 0.00 40.66 42.55 2csf h LEU 55 CO -0.22 -0.32 -0.82 -0.07 -1.08 0.00 0.00 178.44 175.92 2csf h LEU 56 N 0.09 0.00 0.17 1.67 3.38 -0.98 0.61 115.31 120.24 2csf h LEU 56 Ca 0.82 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.78 2csf h LEU 56 Cb 2.20 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.95 2csf h LEU 56 CO -0.66 0.75 -0.08 -0.09 0.09 0.00 0.00 178.44 178.45 2csf h ARG 57 N 0.00 -0.22 0.09 1.13 2.43 0.49 -3.38 114.38 114.91 2csf h ARG 57 Ca -0.03 0.01 -0.14 0.00 -0.81 0.00 0.00 59.98 59.02 2csf h ARG 57 Cb 1.60 0.05 0.02 0.00 -0.42 0.00 0.00 29.97 31.21 2csf h ARG 57 CO 0.09 0.05 -0.60 -1.49 -1.51 0.00 0.00 179.97 176.52 2csf h TRP 58 N -1.01 0.43 -6.15 2.20 4.06 -0.36 -3.48 115.95 111.65 2csf h TRP 58 Ca -0.02 -0.30 -0.45 0.00 2.06 0.00 0.00 58.89 60.18 2csf h TRP 58 Cb 0.37 -0.02 0.02 0.00 -1.00 0.00 0.00 29.16 28.53 2csf h TRP 58 CO 0.05 1.20 -0.74 1.63 -3.56 0.00 0.00 178.44 177.02 2csf n LYS 59 N -4.25 -6.27 -0.86 0.49 5.02 0.21 -4.92 118.16 107.58 2csf n LYS 59 Ca -0.12 0.67 -0.35 0.00 -2.02 0.00 0.00 58.31 56.49 2csf n LYS 59 Cb 0.72 -5.60 0.09 0.00 -0.02 0.00 0.00 35.03 30.21 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 -4.76 -0.67 -2.92 1.97 4.71 -1.26 -4.85 120.64 112.86 2csf n GLU 60 Ca 0.01 -0.19 -0.42 0.00 -0.01 0.00 0.00 57.16 56.55 2csf n GLU 60 Cb 0.55 -1.27 -0.05 0.00 -1.01 0.00 0.00 31.44 29.66 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 -1.34 6.59 0.38 1.62 3.84 -1.26 -4.90 114.94 119.87 2csf s ASN 61 Ca 0.43 0.43 -0.26 0.00 0.21 0.00 0.00 52.86 53.66 2csf s ASN 61 Cb 0.02 -2.41 -0.09 0.00 -0.55 0.00 0.00 41.25 38.22 2csf s ASN 61 CO 0.64 -0.76 1.20 -2.16 -2.79 0.00 0.00 177.10 173.23 2csf s PRO 62 N 3.18 4.14 0.04 0.43 0.04 -1.26 -5.01 135.00 136.56 2csf s PRO 62 Ca 0.33 1.93 -0.27 0.00 0.04 0.00 0.00 61.00 63.03 2csf s PRO 62 Cb -0.13 -2.79 0.09 0.00 0.04 0.00 0.00 34.50 31.71 2csf s PRO 62 CO 0.17 -0.27 0.78 -1.12 0.04 0.00 0.00 177.00 176.60 2csf s SER 63 N -0.97 -0.46 0.00 6.66 0.01 -1.26 -4.88 113.70 112.80 2csf s SER 63 Ca 0.55 0.09 0.15 0.00 1.31 0.00 0.00 55.95 58.05 2csf s SER 63 Cb -0.33 0.47 0.92 0.00 0.21 0.00 0.00 66.02 67.28 2csf s SER 63 CO 0.42 -0.72 1.33 -0.81 0.41 0.00 0.00 173.24 173.87 2csf n PRO 64 N -0.11 0.49 0.02 12.44 -0.04 -1.26 -2.62 135.00 143.92 2csf n PRO 64 Ca -0.13 0.00 -0.20 0.00 -0.04 0.00 0.00 63.50 63.14 2csf n PRO 64 Cb 0.62 -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 0.26 -6.50 0.54 5.08 -1.99 -3.44 114.58 108.53 2csf h GLU 65 Ca 0.00 -0.45 -0.58 0.00 -1.00 0.00 0.00 59.36 57.34 2csf h GLU 65 Cb 0.00 0.17 -0.08 0.00 0.50 0.00 0.00 28.75 29.33 2csf h GLU 65 CO 0.00 1.15 0.80 1.21 -1.00 0.00 0.00 179.01 181.16 2csf s ASN 66 N -6.98 6.59 -0.00 1.42 3.84 -1.08 -4.94 114.94 113.79 2csf s ASN 66 Ca -0.18 0.35 -0.02 0.00 0.21 0.00 0.00 52.86 53.22 2csf s ASN 66 Cb 0.07 -2.51 -0.01 0.00 -0.55 0.00 0.00 41.25 38.24 2csf s ASN 66 CO 0.80 -1.17 0.50 0.03 -2.79 0.00 0.00 177.10 174.47 2csf h ARG 67 N 9.15 -0.07 -1.56 0.43 2.47 -1.86 0.82 114.38 123.77 2csf h ARG 67 Ca -0.23 0.00 0.46 0.00 -1.26 0.00 0.00 59.98 58.96 2csf h ARG 67 Cb 1.07 0.02 -0.09 0.00 -1.65 0.00 0.00 29.97 29.32 2csf h ARG 67 CO 1.09 -0.04 1.09 1.15 0.56 0.00 0.00 179.97 183.82 2csf h THR 68 N -0.13 0.16 0.00 2.04 2.02 -1.99 0.42 112.91 115.43 2csf h THR 68 Ca -0.01 -0.01 0.00 0.00 0.77 0.00 0.00 66.41 67.16 2csf h THR 68 Cb 0.05 0.12 0.00 0.00 -1.74 0.00 0.00 68.15 66.58 2csf h THR 68 CO 0.01 0.01 -0.09 0.25 0.37 0.00 0.00 175.52 176.06 2csf h LEU 69 N 0.04 0.00 -0.85 2.58 5.85 -1.95 -3.31 115.31 117.67 2csf h LEU 69 Ca 0.80 0.00 0.18 0.00 0.84 0.00 0.00 57.88 59.70 2csf h LEU 69 Cb 2.97 0.00 -0.16 0.00 0.37 0.00 0.00 40.66 43.84 2csf h LEU 69 CO -0.13 0.16 -0.15 -0.25 -0.34 0.00 0.00 178.44 177.72 2csf h TRP 70 N -0.23 -0.35 0.01 1.25 2.91 0.11 0.21 115.95 119.86 2csf h TRP 70 Ca 0.00 0.07 0.00 0.00 1.13 0.00 0.00 58.89 60.10 2csf h TRP 70 Cb 0.09 0.29 -0.01 0.00 -0.51 0.00 0.00 29.16 29.02 2csf h TRP 70 CO -0.04 -0.36 -0.09 0.93 -1.03 0.00 0.00 178.44 177.86 2csf h GLU 71 N 0.02 -0.11 -0.22 2.65 5.08 -0.32 0.32 114.58 121.99 2csf h GLU 71 Ca 0.43 0.01 0.06 0.00 -1.00 0.00 0.00 59.36 58.86 2csf h GLU 71 Cb 0.70 0.03 -0.07 0.00 0.50 0.00 0.00 28.75 29.91 2csf h GLU 71 CO -0.85 -0.07 -0.24 -0.91 -1.00 0.00 0.00 179.01 175.93 2csf h ASN 72 N -0.12 -0.77 0.00 1.42 2.35 -1.45 0.28 115.58 117.30 2csf h ASN 72 Ca 0.00 0.14 0.00 0.00 -0.55 0.00 0.00 56.30 55.89 2csf h ASN 72 Cb 0.12 0.36 0.00 0.00 0.05 0.00 0.00 38.32 38.85 2csf h ASN 72 CO -0.05 -0.28 0.19 -0.07 -1.65 0.00 0.00 177.43 175.57 2csf h LEU 73 N -0.26 0.00 0.09 1.61 3.38 -0.41 -1.65 115.31 118.07 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 0.46 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.21 2csf h LEU 73 CO -0.37 0.00 -0.04 0.00 0.09 0.00 0.00 178.44 178.12 2csf h THR 75 N -0.81 1.21 -0.10 0.00 1.03 -1.03 -2.32 112.91 110.88 2csf h THR 75 Ca -0.01 -0.58 -0.04 0.00 -0.01 0.00 0.00 66.41 65.77 2csf h THR 75 Cb 0.59 0.53 -0.01 0.00 -1.07 0.00 0.00 68.15 68.19 2csf h THR 75 CO 0.02 0.23 -0.10 0.40 -0.01 0.00 0.00 175.52 176.06 2csf h ILE 76 N 0.78 1.14 -0.39 0.00 2.04 -1.49 -2.52 117.51 117.06 2csf h ILE 76 Ca 0.20 -0.60 -0.07 0.00 1.00 0.00 0.00 64.86 65.39 2csf h ILE 76 Cb 0.12 1.18 -0.01 0.00 -0.74 0.00 0.00 36.82 37.36 2csf h ILE 76 CO -0.02 0.18 -0.03 -0.09 0.00 0.00 0.00 178.15 178.19 2csf h ARG 77 N 0.15 0.71 -0.26 2.37 9.65 -0.90 -2.83 114.38 123.27 2csf h ARG 77 Ca 0.03 -0.24 -0.06 0.00 -1.10 0.00 0.00 59.98 58.61 2csf h ARG 77 Cb 0.28 -0.06 -0.01 0.00 -1.39 0.00 0.00 29.97 28.79 2csf h ARG 77 CO 0.02 0.82 -0.10 0.00 2.80 0.00 0.00 179.97 183.51 2csf h ARG 78 N 0.53 0.42 0.36 0.20 3.08 -1.13 -2.78 114.38 115.07 2csf h ARG 78 Ca 0.11 -0.11 -0.02 0.00 0.07 0.00 0.00 59.98 60.03 2csf h ARG 78 Cb 0.52 -0.05 0.00 0.00 0.08 0.00 0.00 29.97 30.52 2csf h ARG 78 CO 0.03 0.53 -0.17 0.35 -1.07 0.00 0.00 179.97 179.63 2csf h PHE 79 N 0.40 -0.45 -0.39 3.04 3.04 -1.27 -2.60 116.94 118.71 2csf h PHE 79 Ca 0.08 -0.01 0.08 0.00 3.98 0.00 0.00 57.97 62.10 2csf h PHE 79 Cb 0.42 0.15 -0.02 0.00 2.56 0.00 0.00 35.95 39.06 2csf h PHE 79 CO 0.01 -0.24 0.27 -0.07 -2.02 0.00 0.00 178.31 176.27 2csf h LEU 80 N -0.55 0.17 -1.14 0.59 3.38 -1.41 0.11 115.31 116.46 2csf h LEU 80 Ca -0.05 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.92 2csf h LEU 80 Cb 0.41 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 41.13 2csf h LEU 80 CO 0.08 0.10 0.00 0.59 0.09 0.00 0.00 178.44 179.31 2csf n ASN 81 N -4.46 0.49 -4.81 -0.43 3.02 -0.98 -4.68 115.26 103.41 2csf n ASN 81 Ca 0.06 0.71 -0.33 0.00 -0.03 0.00 0.00 54.58 54.99 2csf n ASN 81 Cb 0.33 -0.78 -0.01 0.00 -0.61 0.00 0.00 39.78 38.71 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 -4.29 3.64 0.52 3.41 1.43 0.39 -5.02 118.68 118.76 2csf s LEU 82 Ca -0.01 1.82 -0.20 0.00 -1.03 0.00 0.00 54.13 54.71 2csf s LEU 82 Cb 0.06 -4.54 -0.06 0.00 0.03 0.00 0.00 46.19 41.68 2csf s LEU 82 CO 0.20 -0.95 1.14 -2.16 0.23 0.00 0.00 176.35 174.81 2csf s PRO 83 N -3.78 3.46 0.28 1.29 0.04 -1.26 -4.71 135.00 130.32 2csf s PRO 83 Ca 0.64 1.65 0.01 0.00 0.04 0.00 0.00 61.00 63.35 2csf s PRO 83 Cb -0.15 -2.10 0.68 0.00 0.04 0.00 0.00 34.50 32.96 2csf s PRO 83 CO 0.30 -0.77 1.66 0.37 0.04 0.00 0.00 177.00 178.60 2csf h GLN 84 N 1.41 0.25 -0.01 4.56 4.15 -1.95 0.97 115.11 124.49 2csf h GLN 84 Ca -0.50 -0.01 0.00 0.00 0.77 0.00 0.00 58.65 58.91 2csf h GLN 84 Cb 1.26 -0.06 -0.00 0.00 0.21 0.00 0.00 27.48 28.89 2csf h GLN 84 CO 0.58 0.16 0.01 1.12 -1.93 0.00 0.00 178.83 178.77 2csf h HIS 85 N 0.26 0.00 0.01 3.99 2.07 -2.00 -1.90 115.15 117.58 2csf h HIS 85 Ca 0.53 0.00 -0.00 0.00 -2.85 0.00 0.00 60.37 58.05 2csf h HIS 85 Cb 1.05 0.00 0.00 0.00 2.57 0.00 0.00 27.41 31.03 2csf h HIS 85 CO -0.24 0.00 -0.00 0.93 -3.07 0.00 0.00 177.93 175.55 2csf h GLU 86 N 0.00 -0.01 -0.95 5.12 4.39 0.58 -3.19 114.58 120.53 2csf h GLU 86 Ca 0.00 0.00 0.25 0.00 0.34 0.00 0.00 59.36 59.95 2csf h GLU 86 Cb 0.01 0.00 -0.17 0.00 -0.10 0.00 0.00 28.75 28.49 2csf h GLU 86 CO -0.00 -0.01 0.02 0.00 -1.16 0.00 0.00 179.01 177.86 2csf h ARG 87 N -0.28 0.03 -0.91 2.33 3.08 -1.25 0.91 114.38 118.30 2csf h ARG 87 Ca -0.00 -0.00 0.09 0.00 0.07 0.00 0.00 59.98 60.14 2csf h ARG 87 Cb 0.01 -0.01 -0.07 0.00 0.08 0.00 0.00 29.97 29.98 2csf h ARG 87 CO 0.00 0.02 0.55 -0.44 -1.07 0.00 0.00 179.97 179.04 2csf h ASP 88 N 0.03 0.83 -0.04 7.04 3.32 -1.50 -1.80 116.42 124.31 2csf h ASP 88 Ca 0.56 0.03 -0.00 0.00 0.02 0.00 0.00 57.03 57.64 2csf h ASP 88 Cb 1.12 -0.13 -0.00 0.00 0.22 0.00 0.00 39.33 40.53 2csf h ASP 88 CO -0.88 0.49 0.02 0.58 -1.72 0.00 0.00 179.24 177.73 2csf h VAL 89 N 0.94 1.12 -0.54 -1.35 2.07 0.85 -0.28 116.25 119.06 2csf h VAL 89 Ca 0.42 -0.35 0.08 0.00 0.82 0.00 0.00 66.70 67.67 2csf h VAL 89 Cb 0.32 1.27 -0.07 0.00 -1.52 0.00 0.00 31.29 31.30 2csf h VAL 89 CO -0.22 0.10 0.19 0.40 0.02 0.00 0.00 177.57 178.05 2csf h ILE 90 N -0.07 0.79 -0.50 4.57 2.04 -0.81 0.26 117.51 123.80 2csf h ILE 90 Ca 0.02 -0.12 -0.07 0.00 1.00 0.00 0.00 64.86 65.68 2csf h ILE 90 Cb 0.14 0.40 -0.02 0.00 -0.74 0.00 0.00 36.82 36.60 2csf h ILE 90 CO -0.00 0.07 0.03 1.88 0.00 0.00 0.00 178.15 180.13 2csf h TYR 91 N 0.36 0.92 0.88 1.37 0.05 -1.22 -1.16 116.97 118.17 2csf h TYR 91 Ca 0.27 -0.15 -0.04 0.00 0.05 0.00 0.00 58.73 58.86 2csf h TYR 91 Cb 0.32 -0.25 0.01 0.00 1.01 0.00 0.00 36.73 37.82 2csf h TYR 91 CO -0.17 0.86 -0.45 0.93 -1.05 0.00 0.00 178.16 178.28 2csf h GLU 92 N 0.72 -1.17 -0.91 4.88 5.08 -0.27 0.88 114.58 123.79 2csf h GLU 92 Ca 0.14 0.08 0.08 0.00 -1.00 0.00 0.00 59.36 58.67 2csf h GLU 92 Cb 0.47 0.27 -0.07 0.00 0.50 0.00 0.00 28.75 29.92 2csf h GLU 92 CO 0.02 -0.78 0.56 0.93 -1.00 0.00 0.00 179.01 178.74 2csf h GLU 93 N -1.21 0.95 0.00 2.33 4.39 -1.00 -3.18 114.58 116.85 2csf h GLU 93 Ca -0.12 -0.06 0.00 0.00 0.34 0.00 0.00 59.36 59.52 2csf h GLU 93 Cb 0.94 -0.22 0.00 0.00 -0.10 0.00 0.00 28.75 29.38 2csf h GLU 93 CO 0.18 0.63 0.00 -1.91 -1.16 0.00 0.00 179.01 176.75 2csf n GLU 94 N -4.62 0.00 -4.25 2.33 4.07 -0.44 -4.82 120.64 112.91 2csf n GLU 94 Ca 0.15 0.45 -0.22 0.00 -0.06 0.00 0.00 57.16 57.47 2csf n GLU 94 Cb 0.23 -1.38 -0.17 0.00 -0.06 0.00 0.00 31.44 30.07 2csf n GLU 94 CO 0.00 0.00 0.00 0.45 -0.06 0.00 0.00 177.13 177.52 2csf s SER 95 N -2.11 1.36 -0.24 4.31 0.15 0.29 -5.03 113.70 112.43 2csf s SER 95 Ca 0.00 -0.20 -0.01 0.00 0.70 0.00 0.00 55.95 56.44 2csf s SER 95 Cb 0.00 -0.60 0.11 0.00 -1.71 0.00 0.00 66.02 63.81 2csf s SER 95 CO 0.00 -0.04 2.23 -1.54 1.20 0.00 0.00 173.24 175.09 2csf n SER 96 N 4.12 6.12 -4.76 5.45 3.41 -1.24 -4.23 113.62 122.49 2csf n SER 96 Ca -0.22 -2.89 -0.37 0.00 -0.26 0.00 0.00 58.87 55.13 2csf n SER 96 Cb 0.51 -1.12 0.02 0.00 -0.26 0.00 0.00 64.21 63.35 2csf n SER 96 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 2csf s GLY 97 N 0.76 2.80 1.13 5.00 0.00 -1.26 -5.02 107.32 110.74 2csf s GLY 97 Ca 0.30 1.08 -0.17 0.00 0.00 0.00 0.00 44.72 45.94 2csf s GLY 97 CO -0.03 1.54 1.10 2.56 0.00 0.00 0.00 173.10 178.27 2csf s PRO 98 N -2.95 -0.66 0.78 2.90 0.04 -1.26 -4.97 135.00 128.88 2csf s PRO 98 Ca 0.70 0.14 -0.16 0.00 0.04 0.00 0.00 61.00 61.72 2csf s PRO 98 Cb -0.33 -1.64 -0.07 0.00 0.04 0.00 0.00 34.50 32.50 2csf s PRO 98 CO 0.38 -3.38 0.14 0.43 0.04 0.00 0.00 177.00 174.61 2csf n SER 99 N -4.56 -2.70 -4.50 6.66 7.64 -1.26 -4.87 113.62 110.02 2csf n SER 99 Ca 0.10 0.48 -0.38 0.00 1.01 0.00 0.00 58.87 60.08 2csf n SER 99 Cb 0.59 -1.06 -0.12 0.00 -1.01 0.00 0.00 64.21 62.61 2csf n SER 99 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 2csf s SER 100 N -1.38 5.60 0.00 6.43 0.15 -1.26 -5.03 113.70 118.21 2csf s SER 100 Ca 0.58 -0.21 0.00 0.00 0.70 0.00 0.00 55.95 57.02 2csf s SER 100 Cb -0.32 -2.03 0.00 0.00 -1.71 0.00 0.00 66.02 61.97 2csf s SER 100 CO 0.66 -0.08 0.51 0.61 1.20 0.00 0.00 173.24 176.14