#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 -0.38 -0.10 1.61 0.01 -1.26 -5.15 113.70 108.42 2csf s SER 2 Ca 0.00 0.78 -0.01 0.00 1.31 0.00 0.00 55.95 58.03 2csf s SER 2 Cb 0.00 0.71 -0.03 0.00 0.21 0.00 0.00 66.02 66.91 2csf s SER 2 CO 0.00 -0.19 -0.05 -0.44 0.41 0.00 0.00 173.24 172.97 2csf s SER 3 N 1.51 4.76 0.28 2.44 0.01 -1.26 -4.98 113.70 116.46 2csf s SER 3 Ca -0.08 -0.05 0.00 0.00 1.31 0.00 0.00 55.95 57.13 2csf s SER 3 Cb -0.09 -1.45 0.00 0.00 0.21 0.00 0.00 66.02 64.68 2csf s SER 3 CO -0.11 0.29 0.00 0.61 0.41 0.00 0.00 173.24 174.43 2csf n GLY 4 N 2.73 0.72 2.96 3.44 0.00 -1.26 -4.92 105.19 108.87 2csf n GLY 4 Ca -0.18 -1.18 -0.12 0.00 0.00 0.00 0.00 46.02 44.55 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 -4.00 0.32 -0.28 1.61 0.01 -1.26 -5.04 113.70 105.06 2csf s SER 5 Ca 0.00 -0.29 -0.02 0.00 1.31 0.00 0.00 55.95 56.95 2csf s SER 5 Cb 0.00 0.03 0.10 0.00 0.21 0.00 0.00 66.02 66.36 2csf s SER 5 CO 0.00 -0.14 2.37 -1.54 0.41 0.00 0.00 173.24 174.34 2csf n SER 6 N 2.24 6.20 0.00 2.44 3.41 -1.26 -4.98 113.62 121.67 2csf n SER 6 Ca -0.18 -2.96 0.00 0.00 -0.26 0.00 0.00 58.87 55.47 2csf n SER 6 Cb 0.57 -1.15 0.00 0.00 -0.26 0.00 0.00 64.21 63.37 2csf n SER 6 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2csf n GLY 7 N 0.85 -0.33 3.75 5.00 0.00 -1.26 -4.92 105.19 108.27 2csf n GLY 7 Ca 0.32 -1.37 -0.31 0.00 0.00 0.00 0.00 46.02 44.67 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 0.00 1.92 -0.85 1.61 0.04 -1.26 -4.87 135.00 131.59 2csf s PRO 8 Ca 0.00 1.05 -0.25 0.00 0.04 0.00 0.00 61.00 61.84 2csf s PRO 8 Cb 0.00 -1.87 -0.10 0.00 0.04 0.00 0.00 34.50 32.57 2csf s PRO 8 CO 0.00 -1.84 2.19 0.42 0.04 0.00 0.00 177.00 177.81 2csf s ILE 9 N -2.92 3.21 0.11 0.56 1.01 -1.26 -4.87 121.20 117.05 2csf s ILE 9 Ca 0.62 -0.18 -0.04 0.00 0.00 0.00 0.00 60.65 61.04 2csf s ILE 9 Cb -0.17 -3.50 -0.02 0.00 0.01 0.00 0.00 42.46 38.78 2csf s ILE 9 CO 0.56 -0.45 0.12 -0.54 0.00 0.00 0.00 174.94 174.63 2csf s LYS 10 N 8.01 0.89 0.32 2.79 1.02 -1.26 -5.13 119.74 126.38 2csf s LYS 10 Ca 0.82 -1.22 -0.28 0.00 0.02 0.00 0.00 55.97 55.30 2csf s LYS 10 Cb -0.10 0.29 -0.13 0.00 -0.52 0.00 0.00 37.83 37.37 2csf s LYS 10 CO 0.04 -0.26 1.22 1.55 -0.92 0.00 0.00 175.35 176.97 2csf n VAL 11 N -0.07 1.94 -3.63 3.17 3.14 -1.26 -5.00 118.33 116.62 2csf n VAL 11 Ca -0.10 -0.48 -0.11 0.00 -2.96 0.00 0.00 64.34 60.69 2csf n VAL 11 Cb 0.63 -1.40 -0.07 0.00 -1.06 0.00 0.00 33.84 31.94 2csf n VAL 11 CO 0.00 0.00 0.00 -0.62 -6.46 0.00 0.00 176.83 169.75 2csf s ASP 12 N -0.35 -0.68 0.51 6.55 2.15 -1.26 -5.18 116.67 118.42 2csf s ASP 12 Ca 0.57 1.25 0.03 0.00 0.43 0.00 0.00 52.55 54.83 2csf s ASP 12 Cb -0.61 1.27 0.00 0.00 -0.30 0.00 0.00 42.92 43.28 2csf s ASP 12 CO 0.61 -0.21 0.15 -0.83 -0.17 0.00 0.00 175.17 174.72 2csf s GLY 13 N 0.60 2.74 0.00 2.66 0.00 -1.26 -5.08 107.32 106.99 2csf s GLY 13 Ca -0.01 -0.84 -0.19 0.00 0.00 0.00 0.00 44.72 43.67 2csf s GLY 13 CO -0.05 -2.09 0.93 0.00 0.00 0.00 0.00 173.10 171.89 2csf h ALA 14 N 1.16 -0.83 -3.00 3.20 0.00 -2.06 -3.42 119.26 114.30 2csf h ALA 14 Ca -0.41 -0.15 -0.66 0.00 0.00 0.00 0.00 54.91 53.68 2csf h ALA 14 Cb 1.30 0.26 -0.26 0.00 0.00 0.00 0.00 17.79 19.10 2csf h ALA 14 CO 0.68 -0.78 -0.66 0.54 0.00 0.00 0.00 179.25 179.04 2csf s ASN 15 N -4.04 4.87 0.07 0.00 2.20 -1.26 -5.06 114.94 111.71 2csf s ASN 15 Ca -0.10 -0.48 -0.37 0.00 -0.94 0.00 0.00 52.86 50.97 2csf s ASN 15 Cb 0.01 -1.84 -0.18 0.00 -2.00 0.00 0.00 41.25 37.23 2csf s ASN 15 CO 0.30 -0.10 1.12 -0.38 -2.94 0.00 0.00 177.10 175.10 2csf n ILE 16 N 4.86 0.28 -3.45 0.54 5.41 -1.26 -4.90 119.36 120.83 2csf n ILE 16 Ca -0.16 -0.07 -0.43 0.00 1.00 0.00 0.00 62.75 63.09 2csf n ILE 16 Cb 0.50 -0.36 -0.09 0.00 -0.71 0.00 0.00 39.64 38.97 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 0.07 6.10 0.14 4.38 3.84 -1.26 -5.07 114.94 123.14 2csf s ASN 17 Ca 0.84 -1.06 -0.19 0.00 0.21 0.00 0.00 52.86 52.67 2csf s ASN 17 Cb -1.09 -2.16 -0.07 0.00 -0.55 0.00 0.00 41.25 37.38 2csf s ASN 17 CO 0.53 -0.51 0.63 -0.63 -2.79 0.00 0.00 177.10 174.33 2csf s ILE 18 N 1.66 4.68 0.04 -5.21 -1.09 -1.26 -5.08 121.20 114.93 2csf s ILE 18 Ca 0.04 1.19 -0.04 0.00 -2.23 0.00 0.00 60.65 59.61 2csf s ILE 18 Cb -0.21 -3.87 -0.02 0.00 -1.58 0.00 0.00 42.46 36.79 2csf s ILE 18 CO 0.09 0.37 0.06 0.42 -1.23 0.00 0.00 174.94 174.65 2csf s THR 19 N -1.32 0.14 0.38 2.92 -4.23 -1.26 -4.85 115.64 107.41 2csf s THR 19 Ca 0.36 -1.14 0.18 0.00 -1.18 0.00 0.00 61.69 59.91 2csf s THR 19 Cb -0.18 -0.86 0.38 0.00 1.34 0.00 0.00 72.50 73.18 2csf s THR 19 CO 0.20 -0.63 1.71 0.00 -0.54 0.00 0.00 174.62 175.36 2csf h ALA 20 N 3.76 2.20 -1.20 3.99 0.00 -1.90 0.27 119.26 126.39 2csf h ALA 20 Ca -0.33 0.11 0.36 0.00 0.00 0.00 0.00 54.91 55.05 2csf h ALA 20 Cb 1.18 0.09 -0.10 0.00 0.00 0.00 0.00 17.79 18.96 2csf h ALA 20 CO 0.51 -0.71 0.79 0.00 0.00 0.00 0.00 179.25 179.83 2csf h ALA 21 N 1.69 2.58 -1.34 0.00 0.00 -1.98 0.12 119.26 120.33 2csf h ALA 21 Ca 0.68 0.07 0.45 0.00 0.00 0.00 0.00 54.91 56.12 2csf h ALA 21 Cb 1.72 0.12 -0.13 0.00 0.00 0.00 0.00 17.79 19.49 2csf h ALA 21 CO -0.42 -1.08 0.86 0.97 0.00 0.00 0.00 179.25 179.57 2csf h ILE 22 N 0.21 0.08 -0.14 0.00 2.10 -0.87 0.71 117.51 119.60 2csf h ILE 22 Ca 0.70 -0.02 -0.01 0.00 1.08 0.00 0.00 64.86 66.61 2csf h ILE 22 Cb 2.11 0.02 -0.01 0.00 -1.09 0.00 0.00 36.82 37.85 2csf h ILE 22 CO -0.32 0.01 0.03 1.88 -1.08 0.00 0.00 178.15 178.67 2csf h TYR 23 N 0.06 0.24 -0.68 2.19 0.05 -0.96 -2.55 116.97 115.31 2csf h TYR 23 Ca 0.84 -0.03 -0.01 0.00 0.05 0.00 0.00 58.73 59.59 2csf h TYR 23 Cb 2.66 -0.07 -0.03 0.00 1.01 0.00 0.00 36.73 40.30 2csf h TYR 23 CO -0.01 0.38 0.40 -0.44 -1.05 0.00 0.00 178.16 177.44 2csf h ASP 24 N 0.02 0.83 -0.78 3.88 3.32 0.24 -2.28 116.42 121.65 2csf h ASP 24 Ca 0.04 -0.07 0.07 0.00 0.02 0.00 0.00 57.03 57.09 2csf h ASP 24 Cb 0.27 -0.21 -0.05 0.00 0.22 0.00 0.00 39.33 39.56 2csf h ASP 24 CO 0.00 0.66 0.51 -0.33 -1.72 0.00 0.00 179.24 178.36 2csf h GLU 25 N 0.93 0.80 -0.65 3.56 5.08 -1.16 -1.55 114.58 121.59 2csf h GLU 25 Ca 0.24 -0.05 -0.08 0.00 -1.00 0.00 0.00 59.36 58.48 2csf h GLU 25 Cb -0.00 -0.18 -0.03 0.00 0.50 0.00 0.00 28.75 29.04 2csf h GLU 25 CO -0.04 0.53 0.11 0.82 -1.00 0.00 0.00 179.01 179.43 2csf h ILE 26 N 0.82 1.26 -0.00 3.13 2.04 -0.99 0.32 117.51 124.09 2csf h ILE 26 Ca 0.34 -1.02 -0.00 0.00 1.00 0.00 0.00 64.86 65.18 2csf h ILE 26 Cb 0.26 0.66 -0.00 0.00 -0.74 0.00 0.00 36.82 37.00 2csf h ILE 26 CO -0.12 0.38 0.00 1.56 0.00 0.00 0.00 178.15 179.97 2csf h GLN 27 N 0.99 0.00 0.01 2.37 4.20 -1.04 -2.76 115.11 118.88 2csf h GLN 27 Ca 0.20 -0.00 -0.00 0.00 0.06 0.00 0.00 58.65 58.91 2csf h GLN 27 Cb 0.43 -0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.21 2csf h GLN 27 CO 0.01 0.14 -0.00 1.96 -0.67 0.00 0.00 178.83 180.27 2csf h GLN 28 N -0.14 -0.01 -1.37 1.46 4.20 -1.34 -3.05 115.11 114.86 2csf h GLN 28 Ca 0.00 0.00 0.41 0.00 0.06 0.00 0.00 58.65 59.12 2csf h GLN 28 Cb 0.14 0.00 -0.09 0.00 0.30 0.00 0.00 27.48 27.83 2csf h GLN 28 CO -0.00 0.43 0.94 1.49 -0.67 0.00 0.00 178.83 181.02 2csf h GLU 29 N -0.46 0.10 0.10 1.46 4.57 -0.38 -1.58 114.58 118.38 2csf h GLU 29 Ca -0.00 -0.01 -0.00 0.00 -1.18 0.00 0.00 59.36 58.17 2csf h GLU 29 Cb 0.45 -0.02 0.00 0.00 -0.16 0.00 0.00 28.75 29.02 2csf h GLU 29 CO 0.00 0.06 -0.05 0.52 -1.18 0.00 0.00 179.01 178.37 2csf h MET 30 N 0.10 -0.13 -1.02 1.92 2.86 -1.37 -2.56 114.93 114.73 2csf h MET 30 Ca 0.74 0.01 0.29 0.00 -2.06 0.00 0.00 59.70 58.68 2csf h MET 30 Cb 2.55 0.03 -0.04 0.00 0.06 0.00 0.00 31.60 34.20 2csf h MET 30 CO -0.20 -0.09 1.02 1.57 1.06 0.00 0.00 176.91 180.27 2csf h LYS 31 N -0.19 0.00 -0.13 1.72 5.09 -1.33 1.29 116.57 123.03 2csf h LYS 31 Ca -0.01 0.00 -0.21 0.00 0.09 0.00 0.00 60.65 60.52 2csf h LYS 31 Cb 0.10 0.00 0.01 0.00 0.10 0.00 0.00 32.23 32.44 2csf h LYS 31 CO 0.02 0.00 -0.74 -0.09 -2.09 0.00 0.00 179.45 176.56 2csf h ARG 32 N 0.00 0.73 -0.39 0.07 2.43 -1.25 -3.22 114.38 112.74 2csf h ARG 32 Ca 0.48 -0.61 0.00 0.00 -0.81 0.00 0.00 59.98 59.04 2csf h ARG 32 Cb 2.51 0.13 0.00 0.00 -0.42 0.00 0.00 29.97 32.19 2csf h ARG 32 CO -0.01 1.22 0.00 0.00 -1.51 0.00 0.00 179.97 179.67 2csf n ALA 33 N -2.60 2.41 -3.93 2.80 0.00 0.36 -4.96 120.51 114.59 2csf n ALA 33 Ca -0.08 -1.01 -0.30 0.00 0.00 0.00 0.00 53.44 52.06 2csf n ALA 33 Cb 0.72 -0.83 0.02 0.00 0.00 0.00 0.00 19.45 19.36 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 1.43 -5.09 -3.58 0.00 4.01 0.33 -4.97 118.16 110.29 2csf n LYS 34 Ca 0.19 0.57 -0.21 0.00 -0.51 0.00 0.00 58.31 58.34 2csf n LYS 34 Cb 0.59 -5.37 -0.03 0.00 -0.51 0.00 0.00 35.03 29.71 2csf n LYS 34 CO 0.00 0.00 0.00 0.14 -1.11 0.00 0.00 177.40 176.43 2csf s VAL 35 N -3.37 2.67 0.14 -0.18 -7.23 -1.13 -4.97 120.40 106.33 2csf s VAL 35 Ca 0.57 -1.35 0.05 0.00 -1.81 0.00 0.00 61.98 59.44 2csf s VAL 35 Cb -0.29 -3.00 -0.04 0.00 0.56 0.00 0.00 36.38 33.61 2csf s VAL 35 CO 0.84 -0.00 0.07 -0.55 -0.31 0.00 0.00 175.10 175.15 2csf s SER 36 N -4.12 5.25 0.45 4.85 0.15 -1.26 -4.62 113.70 114.40 2csf s SER 36 Ca 0.48 -0.18 0.29 0.00 0.70 0.00 0.00 55.95 57.24 2csf s SER 36 Cb -0.03 -1.30 1.37 0.00 -1.71 0.00 0.00 66.02 64.35 2csf s SER 36 CO 0.28 0.11 1.70 1.56 1.20 0.00 0.00 173.24 178.09 2csf h GLN 37 N 2.83 0.15 -0.32 5.44 4.20 -1.97 0.55 115.11 125.99 2csf h GLN 37 Ca -0.47 -0.01 -0.07 0.00 0.06 0.00 0.00 58.65 58.16 2csf h GLN 37 Cb 1.19 -0.03 -0.01 0.00 0.30 0.00 0.00 27.48 28.92 2csf h GLN 37 CO 0.62 0.10 -0.08 0.00 -0.67 0.00 0.00 178.83 178.80 2csf h ALA 38 N 1.52 0.45 0.37 3.87 0.00 -1.92 -2.43 119.26 121.12 2csf h ALA 38 Ca 0.72 -0.29 -0.02 0.00 0.00 0.00 0.00 54.91 55.32 2csf h ALA 38 Cb 2.29 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 19.97 2csf h ALA 38 CO -0.27 0.28 -0.18 1.25 0.00 0.00 0.00 179.25 180.33 2csf h LEU 39 N 0.40 -0.42 -1.13 0.00 5.85 -0.32 0.10 115.31 119.79 2csf h LEU 39 Ca 0.08 0.01 0.37 0.00 0.84 0.00 0.00 57.88 59.18 2csf h LEU 39 Cb 0.57 0.11 -0.15 0.00 0.37 0.00 0.00 40.66 41.56 2csf h LEU 39 CO 0.03 -0.20 0.64 0.15 -0.34 0.00 0.00 178.44 178.73 2csf h PHE 40 N -0.70 0.79 0.00 1.25 3.04 -1.34 1.82 116.94 121.80 2csf h PHE 40 Ca -0.05 0.03 -0.11 0.00 3.98 0.00 0.00 57.97 61.82 2csf h PHE 40 Cb 0.38 -0.20 -0.02 0.00 2.56 0.00 0.00 35.95 38.67 2csf h PHE 40 CO 0.06 -0.22 -0.52 0.00 -2.02 0.00 0.00 178.31 175.61 2csf h ALA 41 N 1.80 0.67 0.00 2.41 0.00 -1.41 0.17 119.26 122.90 2csf h ALA 41 Ca 0.77 -0.48 -0.08 0.00 0.00 0.00 0.00 54.91 55.12 2csf h ALA 41 Cb 2.00 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 19.70 2csf h ALA 41 CO -0.57 0.65 -0.70 -0.22 0.00 0.00 0.00 179.25 178.42 2csf h LYS 42 N 0.00 0.00 0.00 0.00 3.11 0.51 1.17 116.57 121.35 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 1.39 0.00 0.00 0.00 -1.00 0.00 0.00 32.23 32.62 2csf h LYS 42 CO 0.07 0.28 -1.46 1.33 -2.81 0.00 0.00 179.45 176.86 2csf n VAL 43 N -3.04 0.00 -0.08 2.00 0.24 0.23 -3.37 118.33 114.31 2csf n VAL 43 Ca -0.01 -0.30 -0.07 0.00 -2.04 0.00 0.00 64.34 61.92 2csf n VAL 43 Cb 0.69 0.41 -0.02 0.00 -1.47 0.00 0.00 33.84 33.45 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 -1.87 0.69 0.58 2.33 0.00 0.61 -4.70 120.51 118.15 2csf n ALA 44 Ca -0.01 -0.65 0.06 0.00 0.00 0.00 0.00 53.44 52.84 2csf n ALA 44 Cb 0.39 0.02 -0.00 0.00 0.00 0.00 0.00 19.45 19.86 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 -4.09 3.01 -2.42 0.00 0.00 -0.86 -4.42 120.51 111.73 2csf n ALA 45 Ca -0.11 -0.49 -0.19 0.00 0.00 0.00 0.00 53.44 52.66 2csf n ALA 45 Cb 0.41 -0.46 -0.00 0.00 0.00 0.00 0.00 19.45 19.40 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 -0.20 -5.39 -4.44 0.00 5.15 0.36 -4.94 115.26 105.80 2csf n ASN 46 Ca 0.05 -0.05 -0.19 0.00 -0.60 0.00 0.00 54.58 53.80 2csf n ASN 46 Cb 0.27 -4.42 0.03 0.00 -0.53 0.00 0.00 39.78 35.14 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 -2.88 0.72 -3.50 1.20 4.76 0.12 -4.84 118.16 113.74 2csf n LYS 47 Ca -0.21 -2.74 -0.32 0.00 -2.87 0.00 0.00 58.31 52.17 2csf n LYS 47 Cb 0.66 0.01 -0.05 0.00 -1.84 0.00 0.00 35.03 33.80 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 -3.91 6.59 0.26 4.39 0.01 -1.26 -3.51 113.70 116.28 2csf s SER 48 Ca 0.41 0.82 -0.10 0.00 1.31 0.00 0.00 55.95 58.38 2csf s SER 48 Cb -0.03 -2.18 0.38 0.00 0.21 0.00 0.00 66.02 64.40 2csf s SER 48 CO 0.26 -0.01 1.57 -0.61 0.41 0.00 0.00 173.24 174.86 2csf h GLN 49 N 2.75 -0.01 -1.13 12.44 4.15 -1.82 0.81 115.11 132.30 2csf h GLN 49 Ca -0.47 0.00 0.32 0.00 0.77 0.00 0.00 58.65 59.27 2csf h GLN 49 Cb 1.17 0.00 -0.09 0.00 0.21 0.00 0.00 27.48 28.77 2csf h GLN 49 CO 0.70 -0.00 0.74 0.78 -1.93 0.00 0.00 178.83 179.12 2csf h GLY 50 N -0.01 1.03 2.00 2.39 0.00 -1.94 1.04 103.07 107.59 2csf h GLY 50 Ca 0.42 -0.15 -0.10 0.00 0.00 0.00 0.00 47.33 47.50 2csf h GLY 50 CO -0.94 -0.17 -0.47 -0.25 0.00 0.00 0.00 176.54 174.71 2csf h TRP 51 N 0.26 0.00 0.00 5.60 7.01 0.26 -3.09 115.95 125.99 2csf h TRP 51 Ca 0.64 0.00 -0.03 0.00 2.11 0.00 0.00 58.89 61.61 2csf h TRP 51 Cb 1.87 0.00 -0.00 0.00 -2.10 0.00 0.00 29.16 28.93 2csf h TRP 51 CO -0.00 0.47 -0.44 1.25 -2.79 0.00 0.00 178.44 176.93 2csf h LEU 52 N 0.00 0.00 -0.85 0.65 7.12 0.12 -3.31 115.31 119.04 2csf h LEU 52 Ca -0.00 -0.13 0.17 0.00 0.13 0.00 0.00 57.88 58.04 2csf h LEU 52 Cb 1.12 0.00 -0.16 0.00 -0.53 0.00 0.00 40.66 41.09 2csf h LEU 52 CO 0.06 0.80 -0.22 0.00 -0.13 0.00 0.00 178.44 178.95 2csf h GLU 54 N -0.01 -0.36 -0.91 0.00 5.08 -1.72 -0.61 114.58 116.05 2csf h GLU 54 Ca 0.40 0.02 0.25 0.00 -1.00 0.00 0.00 59.36 59.03 2csf h GLU 54 Cb 0.62 0.08 -0.16 0.00 0.50 0.00 0.00 28.75 29.79 2csf h GLU 54 CO -0.88 -0.24 0.13 -0.07 -1.00 0.00 0.00 179.01 176.96 2csf h LEU 55 N -0.37 -0.22 -0.84 1.33 4.07 -0.99 1.69 115.31 119.97 2csf h LEU 55 Ca 0.09 0.23 -0.05 0.00 0.08 0.00 0.00 57.88 58.23 2csf h LEU 55 Cb 0.50 0.36 -0.01 0.00 1.08 0.00 0.00 40.66 42.60 2csf h LEU 55 CO -0.30 -0.25 -0.23 -0.07 -1.08 0.00 0.00 178.44 176.51 2csf h LEU 56 N 0.10 0.00 0.03 1.67 3.38 -1.00 0.45 115.31 119.95 2csf h LEU 56 Ca 0.56 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.53 2csf h LEU 56 Cb 1.15 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.90 2csf h LEU 56 CO -0.77 0.23 -0.02 -0.09 0.09 0.00 0.00 178.44 177.89 2csf h ARG 57 N 0.00 -0.04 0.01 1.13 2.43 0.38 -3.39 114.38 114.89 2csf h ARG 57 Ca -0.00 0.00 -0.22 0.00 -0.81 0.00 0.00 59.98 58.95 2csf h ARG 57 Cb 0.86 0.01 0.02 0.00 -0.42 0.00 0.00 29.97 30.44 2csf h ARG 57 CO 0.03 -0.03 -0.87 -1.49 -1.51 0.00 0.00 179.97 176.10 2csf h TRP 58 N -0.93 0.86 -6.42 2.20 4.06 -0.30 -3.48 115.95 111.93 2csf h TRP 58 Ca -0.00 -0.47 -0.49 0.00 2.06 0.00 0.00 58.89 59.99 2csf h TRP 58 Cb 0.04 -0.10 -0.04 0.00 -1.00 0.00 0.00 29.16 28.05 2csf h TRP 58 CO 0.00 1.30 -0.86 1.63 -3.56 0.00 0.00 178.44 176.95 2csf n LYS 59 N -4.01 -3.77 -0.26 0.49 5.02 0.16 -4.92 118.16 110.87 2csf n LYS 59 Ca -0.11 0.46 -0.10 0.00 -2.02 0.00 0.00 58.31 56.54 2csf n LYS 59 Cb 0.80 -4.78 0.10 0.00 -0.02 0.00 0.00 35.03 31.13 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 -4.39 -1.19 -3.52 1.97 1.02 -1.26 -4.92 120.64 108.35 2csf n GLU 60 Ca -0.25 -0.47 -0.40 0.00 -0.02 0.00 0.00 57.16 56.02 2csf n GLU 60 Cb 0.66 -0.86 -0.10 0.00 -0.02 0.00 0.00 31.44 31.11 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 -1.91 6.08 0.38 1.62 3.84 -1.26 -4.88 114.94 118.80 2csf s ASN 61 Ca 0.22 -0.36 -0.26 0.00 0.21 0.00 0.00 52.86 52.66 2csf s ASN 61 Cb -0.04 -2.15 -0.09 0.00 -0.55 0.00 0.00 41.25 38.43 2csf s ASN 61 CO 0.18 -0.24 1.20 -2.16 -2.79 0.00 0.00 177.10 173.29 2csf s PRO 62 N 1.77 4.15 0.02 0.43 0.04 -1.26 -5.01 135.00 135.14 2csf s PRO 62 Ca 0.07 1.93 -0.27 0.00 0.04 0.00 0.00 61.00 62.77 2csf s PRO 62 Cb -0.17 -2.80 0.09 0.00 0.04 0.00 0.00 34.50 31.66 2csf s PRO 62 CO 0.11 -0.26 0.78 -1.12 0.04 0.00 0.00 177.00 176.55 2csf s SER 63 N -0.96 -0.47 0.00 6.66 0.01 -1.26 -4.89 113.70 112.80 2csf s SER 63 Ca 0.54 0.13 0.15 0.00 1.31 0.00 0.00 55.95 58.09 2csf s SER 63 Cb -0.33 0.46 0.89 0.00 0.21 0.00 0.00 66.02 67.26 2csf s SER 63 CO 0.42 -0.70 1.31 -0.81 0.41 0.00 0.00 173.24 173.87 2csf n PRO 64 N -0.04 0.49 0.02 12.44 -0.04 -1.26 -2.64 135.00 143.97 2csf n PRO 64 Ca -0.13 0.00 -0.21 0.00 -0.04 0.00 0.00 63.50 63.12 2csf n PRO 64 Cb 0.62 -1.48 -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 0.28 -6.52 0.54 5.08 -1.99 -3.45 114.58 108.53 2csf h GLU 65 Ca 0.00 -0.48 -0.57 0.00 -1.00 0.00 0.00 59.36 57.31 2csf h GLU 65 Cb 0.00 0.18 -0.08 0.00 0.50 0.00 0.00 28.75 29.35 2csf h GLU 65 CO 0.00 1.20 0.82 1.21 -1.00 0.00 0.00 179.01 181.24 2csf s ASN 66 N -7.05 6.61 -0.00 1.42 3.84 -1.08 -4.94 114.94 113.74 2csf s ASN 66 Ca -0.20 0.40 -0.02 0.00 0.21 0.00 0.00 52.86 53.26 2csf s ASN 66 Cb 0.06 -2.52 -0.01 0.00 -0.55 0.00 0.00 41.25 38.23 2csf s ASN 66 CO 0.79 -1.17 0.45 0.03 -2.79 0.00 0.00 177.10 174.42 2csf h ARG 67 N 9.11 -0.06 -1.66 0.43 2.47 -1.86 0.84 114.38 123.65 2csf h ARG 67 Ca -0.23 0.00 0.48 0.00 -1.26 0.00 0.00 59.98 58.97 2csf h ARG 67 Cb 1.06 0.01 -0.07 0.00 -1.65 0.00 0.00 29.97 29.33 2csf h ARG 67 CO 1.09 -0.04 1.19 1.15 0.56 0.00 0.00 179.97 183.92 2csf h THR 68 N -0.12 0.16 0.00 2.04 2.02 -1.99 0.47 112.91 115.50 2csf h THR 68 Ca -0.01 -0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.17 2csf h THR 68 Cb 0.05 0.16 0.00 0.00 -1.74 0.00 0.00 68.15 66.62 2csf h THR 68 CO 0.01 0.00 -0.15 -0.11 0.37 0.00 0.00 175.52 175.64 2csf n LEU 69 N -4.06 0.53 -0.27 2.58 7.94 -1.23 -3.90 117.00 118.61 2csf n LEU 69 Ca 0.37 0.36 0.03 0.00 -1.11 0.00 0.00 56.01 55.66 2csf n LEU 69 Cb 1.71 -0.61 0.11 0.00 0.53 0.00 0.00 43.42 45.16 2csf n LEU 69 CO 0.42 -0.49 0.74 -0.25 -1.11 0.00 0.00 177.39 176.70 2csf h TRP 70 N -0.29 -0.32 0.00 1.96 2.91 0.12 0.12 115.95 120.45 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 0.15 0.26 0.00 0.00 -0.51 0.00 0.00 29.16 29.06 2csf h TRP 70 CO -0.06 -0.31 0.00 0.39 -1.03 0.00 0.00 178.44 177.42 2csf n GLU 71 N -5.47 0.00 0.02 2.65 1.02 0.16 -0.16 120.64 118.86 2csf n GLU 71 Ca 0.12 0.78 -0.12 0.00 -0.02 0.00 0.00 57.16 57.91 2csf n GLU 71 Cb 0.42 -1.49 -0.05 0.00 -0.02 0.00 0.00 31.44 30.29 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 -1.15 0.00 1.62 2.35 -1.55 0.29 115.58 117.14 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 0.00 0.47 0.00 0.00 0.05 0.00 0.00 38.32 38.84 2csf h ASN 72 CO 0.00 -0.41 0.34 -0.07 -1.65 0.00 0.00 177.43 175.64 2csf h LEU 73 N -0.48 0.00 0.01 1.61 3.38 -0.59 0.33 115.31 119.57 2csf h LEU 73 Ca 0.07 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 58.00 2csf h LEU 73 Cb 0.60 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.35 2csf h LEU 73 CO -0.35 0.00 -0.18 0.00 0.09 0.00 0.00 178.44 178.01 2csf h THR 75 N -0.68 1.26 0.00 0.00 1.03 -0.69 -2.60 112.91 111.23 2csf h THR 75 Ca -0.03 -1.09 -0.09 0.00 -0.01 0.00 0.00 66.41 65.20 2csf h THR 75 Cb 1.00 0.85 -0.01 0.00 -1.07 0.00 0.00 68.15 68.92 2csf h THR 75 CO 0.03 0.39 -0.41 0.40 -0.01 0.00 0.00 175.52 175.92 2csf h ILE 76 N 0.85 1.16 -0.07 0.00 2.04 -1.48 -2.75 117.51 117.26 2csf h ILE 76 Ca 0.16 -1.46 -0.10 0.00 1.00 0.00 0.00 64.86 64.45 2csf h ILE 76 Cb 0.51 1.82 -0.01 0.00 -0.74 0.00 0.00 36.82 38.40 2csf h ILE 76 CO 0.03 0.40 -0.44 -0.09 0.00 0.00 0.00 178.15 178.05 2csf h ARG 77 N 0.00 0.15 0.02 2.37 9.65 -1.07 -2.90 114.38 122.59 2csf h ARG 77 Ca -0.00 -0.07 -0.20 0.00 -1.10 0.00 0.00 59.98 58.60 2csf h ARG 77 Cb 0.79 -0.00 -0.02 0.00 -1.39 0.00 0.00 29.97 29.35 2csf h ARG 77 CO 0.05 0.56 -0.93 0.00 2.80 0.00 0.00 179.97 182.46 2csf h ARG 78 N 0.12 0.10 -0.33 0.20 3.08 -1.31 -3.18 114.38 113.07 2csf h ARG 78 Ca 0.01 -0.13 -0.02 0.00 0.07 0.00 0.00 59.98 59.92 2csf h ARG 78 Cb 0.83 0.04 -0.01 0.00 0.08 0.00 0.00 29.97 30.90 2csf h ARG 78 CO 0.06 0.95 0.14 0.35 -1.07 0.00 0.00 179.97 180.41 2csf h PHE 79 N 0.05 0.49 -0.26 3.04 3.04 -1.30 -2.61 116.94 119.39 2csf h PHE 79 Ca -0.03 -0.03 -0.03 0.00 3.98 0.00 0.00 57.97 61.85 2csf h PHE 79 Cb 1.60 -0.15 -0.01 0.00 2.56 0.00 0.00 35.95 39.95 2csf h PHE 79 CO 0.02 0.45 0.02 -0.07 -2.02 0.00 0.00 178.31 176.71 2csf h LEU 80 N 0.39 0.35 -2.28 0.59 3.38 -1.59 -1.53 115.31 114.61 2csf h LEU 80 Ca 0.11 -0.05 -0.01 0.00 0.09 0.00 0.00 57.88 58.02 2csf h LEU 80 Cb 0.16 -0.09 -0.00 0.00 0.09 0.00 0.00 40.66 40.82 2csf h LEU 80 CO -0.01 0.39 -0.05 0.78 0.09 0.00 0.00 178.44 179.64 2csf h ASN 81 N 0.37 0.00 -4.10 -0.43 2.35 -1.44 -3.43 115.58 108.89 2csf h ASN 81 Ca 0.09 0.00 -0.53 0.00 -0.55 0.00 0.00 56.30 55.31 2csf h ASN 81 Cb 0.21 0.00 0.12 0.00 0.05 0.00 0.00 38.32 38.70 2csf h ASN 81 CO 0.00 0.05 0.47 -0.76 -1.65 0.00 0.00 177.43 175.54 2csf s LEU 82 N -7.27 3.64 0.57 1.61 1.43 -0.58 -4.99 118.68 113.10 2csf s LEU 82 Ca -0.04 2.40 -0.18 0.00 -1.03 0.00 0.00 54.13 55.28 2csf s LEU 82 Cb 0.14 -4.60 -0.04 0.00 0.03 0.00 0.00 46.19 41.72 2csf s LEU 82 CO 0.54 -1.66 1.12 -2.16 0.23 0.00 0.00 176.35 174.43 2csf s PRO 83 N -3.38 3.22 0.30 1.29 0.04 -1.26 -4.71 135.00 130.50 2csf s PRO 83 Ca 0.77 1.55 0.06 0.00 0.04 0.00 0.00 61.00 63.42 2csf s PRO 83 Cb -0.31 -1.99 0.76 0.00 0.04 0.00 0.00 34.50 33.00 2csf s PRO 83 CO 0.34 -0.95 1.73 0.37 0.04 0.00 0.00 177.00 178.54 2csf h GLN 84 N 0.90 0.55 0.00 4.56 5.75 -1.94 0.75 115.11 125.68 2csf h GLN 84 Ca -0.49 -0.03 -0.01 0.00 -0.15 0.00 0.00 58.65 57.96 2csf h GLN 84 Cb 1.26 -0.12 -0.00 0.00 1.07 0.00 0.00 27.48 29.68 2csf h GLN 84 CO 0.56 0.37 -0.06 1.12 -2.65 0.00 0.00 178.83 178.16 2csf h HIS 85 N 0.57 0.00 0.00 3.99 2.07 -1.99 -1.44 115.15 118.35 2csf h HIS 85 Ca 0.58 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 58.10 2csf h HIS 85 Cb 1.04 0.00 0.00 0.00 2.57 0.00 0.00 27.41 31.02 2csf h HIS 85 CO -0.06 0.06 -0.10 0.93 -3.07 0.00 0.00 177.93 175.70 2csf h GLU 86 N 0.00 0.00 -0.84 5.12 4.39 0.11 -3.28 114.58 120.07 2csf h GLU 86 Ca -0.00 0.00 0.21 0.00 0.34 0.00 0.00 59.36 59.91 2csf h GLU 86 Cb 0.17 0.00 -0.14 0.00 -0.10 0.00 0.00 28.75 28.68 2csf h GLU 86 CO 0.01 0.00 0.15 0.00 -1.16 0.00 0.00 179.01 178.01 2csf h ARG 87 N -0.41 0.17 -0.83 2.33 3.08 -1.23 0.60 114.38 118.08 2csf h ARG 87 Ca 0.00 -0.01 0.12 0.00 0.07 0.00 0.00 59.98 60.16 2csf h ARG 87 Cb 0.10 -0.04 -0.06 0.00 0.08 0.00 0.00 29.97 30.05 2csf h ARG 87 CO 0.00 0.11 0.54 0.22 -1.07 0.00 0.00 179.97 179.77 2csf h ASP 88 N 0.17 0.64 -0.06 7.04 1.82 -1.44 -1.91 116.42 122.68 2csf h ASP 88 Ca 0.50 0.03 -0.01 0.00 -0.39 0.00 0.00 57.03 57.16 2csf h ASP 88 Cb 0.97 -0.10 -0.00 0.00 0.68 0.00 0.00 39.33 40.88 2csf h ASP 88 CO -0.66 0.35 0.01 0.58 -1.61 0.00 0.00 179.24 177.91 2csf h VAL 89 N 0.69 1.23 -0.17 2.25 2.07 0.14 -2.06 116.25 120.41 2csf h VAL 89 Ca 0.40 -0.70 0.05 0.00 0.82 0.00 0.00 66.70 67.27 2csf h VAL 89 Cb 0.59 1.58 -0.05 0.00 -1.52 0.00 0.00 31.29 31.88 2csf h VAL 89 CO -0.17 0.19 -0.18 0.40 0.02 0.00 0.00 177.57 177.84 2csf h ILE 90 N -0.15 0.53 -0.99 4.57 2.04 -0.91 0.15 117.51 122.76 2csf h ILE 90 Ca 0.02 0.00 0.05 0.00 1.00 0.00 0.00 64.86 65.93 2csf h ILE 90 Cb 0.30 0.53 -0.06 0.00 -0.74 0.00 0.00 36.82 36.85 2csf h ILE 90 CO 0.00 0.00 0.64 1.88 0.00 0.00 0.00 178.15 180.67 2csf h TYR 91 N -0.21 1.19 0.34 1.37 0.05 -1.41 0.73 116.97 119.03 2csf h TYR 91 Ca 0.11 0.03 -0.02 0.00 0.05 0.00 0.00 58.73 58.90 2csf h TYR 91 Cb 0.37 -0.39 0.00 0.00 1.01 0.00 0.00 36.73 37.72 2csf h TYR 91 CO -0.31 0.65 -0.16 0.93 -1.05 0.00 0.00 178.16 178.22 2csf h GLU 92 N 1.19 -0.43 -0.46 4.88 4.39 -0.56 -0.52 114.58 123.06 2csf h GLU 92 Ca 0.41 0.03 0.04 0.00 0.34 0.00 0.00 59.36 60.18 2csf h GLU 92 Cb 0.10 0.10 -0.04 0.00 -0.10 0.00 0.00 28.75 28.80 2csf h GLU 92 CO -0.15 -0.16 0.22 0.93 -1.16 0.00 0.00 179.01 178.70 2csf h GLU 93 N -0.68 0.43 0.00 2.33 5.08 -0.49 -3.26 114.58 117.99 2csf h GLU 93 Ca -0.05 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.29 2csf h GLU 93 Cb 0.48 -0.10 0.00 0.00 0.50 0.00 0.00 28.75 29.63 2csf h GLU 93 CO 0.08 0.29 0.00 -1.91 -1.00 0.00 0.00 179.01 176.46 2csf n GLU 94 N -4.91 0.00 -4.31 2.33 4.07 0.23 -4.86 120.64 113.18 2csf n GLU 94 Ca 0.03 0.38 -0.24 0.00 -0.06 0.00 0.00 57.16 57.28 2csf n GLU 94 Cb 0.13 -1.34 -0.08 0.00 -0.06 0.00 0.00 31.44 30.09 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 -2.05 4.41 -0.73 4.31 0.15 -0.21 -5.09 113.70 114.49 2csf s SER 95 Ca 0.00 -0.66 -0.09 0.00 0.70 0.00 0.00 55.95 55.90 2csf s SER 95 Cb 0.00 -0.78 0.19 0.00 -1.71 0.00 0.00 66.02 63.72 2csf s SER 95 CO 0.00 0.03 0.61 -0.94 1.20 0.00 0.00 173.24 174.14 2csf s SER 96 N -3.46 6.07 -0.00 5.45 1.04 -1.26 -3.94 113.70 117.60 2csf s SER 96 Ca 0.30 -2.73 -0.03 0.00 0.48 0.00 0.00 55.95 53.97 2csf s SER 96 Cb -0.07 -2.05 -0.04 0.00 0.10 0.00 0.00 66.02 63.96 2csf s SER 96 CO 0.18 -0.49 0.19 -0.83 0.98 0.00 0.00 173.24 173.28 2csf s GLY 97 N 1.56 2.19 -0.09 7.32 0.00 -1.26 -5.06 107.32 111.97 2csf s GLY 97 Ca 0.17 -0.75 -0.30 0.00 0.00 0.00 0.00 44.72 43.85 2csf s GLY 97 CO -0.06 -0.63 1.52 2.56 0.00 0.00 0.00 173.10 176.49 2csf s PRO 98 N -1.96 4.19 -1.28 2.90 0.04 -1.26 -4.92 135.00 132.71 2csf s PRO 98 Ca 0.28 2.01 -0.19 0.00 0.04 0.00 0.00 61.00 63.14 2csf s PRO 98 Cb -0.13 -3.91 0.03 0.00 0.04 0.00 0.00 34.50 30.53 2csf s PRO 98 CO 0.19 -0.81 1.83 0.45 0.04 0.00 0.00 177.00 178.70 2csf n SER 99 N 6.97 4.42 -3.65 6.66 2.88 -1.26 -4.84 113.62 124.80 2csf n SER 99 Ca 0.16 -2.86 -0.05 0.00 -1.33 0.00 0.00 58.87 54.78 2csf n SER 99 Cb 0.43 -1.72 -0.07 0.00 -0.75 0.00 0.00 64.21 62.10 2csf n SER 99 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 2csf s SER 100 N 4.59 -0.89 0.00 -3.46 0.15 -1.26 -5.26 113.70 107.57 2csf s SER 100 Ca 0.56 1.40 0.15 0.00 0.70 0.00 0.00 55.95 58.76 2csf s SER 100 Cb 0.04 1.63 0.88 0.00 -1.71 0.00 0.00 66.02 66.87 2csf s SER 100 CO 0.08 -0.23 1.30 0.61 1.20 0.00 0.00 173.24 176.20