#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 3.60 -0.76 1.61 0.15 -1.26 -5.03 113.70 112.01 2csf s SER 2 Ca 0.00 -1.56 -0.24 0.00 0.70 0.00 0.00 55.95 54.85 2csf s SER 2 Cb 0.00 0.23 -0.16 0.00 -1.71 0.00 0.00 66.02 64.37 2csf s SER 2 CO 0.00 -0.74 2.43 -1.54 1.20 0.00 0.00 173.24 174.59 2csf n SER 3 N -1.13 1.14 0.00 5.45 3.41 -1.26 -4.61 113.62 116.61 2csf n SER 3 Ca -0.11 -0.66 0.00 0.00 -0.26 0.00 0.00 58.87 57.84 2csf n SER 3 Cb 0.67 -1.30 0.00 0.00 -0.26 0.00 0.00 64.21 63.31 2csf n SER 3 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2csf n GLY 4 N 6.25 0.91 3.42 5.00 0.00 -1.26 -5.14 105.19 114.37 2csf n GLY 4 Ca 0.51 0.48 -0.37 0.00 0.00 0.00 0.00 46.02 46.64 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 5.14 -0.07 1.61 0.01 -1.26 -5.08 113.70 114.05 2csf s SER 5 Ca 0.00 -0.34 -0.13 0.00 1.31 0.00 0.00 55.95 56.78 2csf s SER 5 Cb 0.00 -1.92 0.03 0.00 0.21 0.00 0.00 66.02 64.34 2csf s SER 5 CO 0.00 -0.08 0.32 -0.94 0.41 0.00 0.00 173.24 172.95 2csf s SER 6 N 1.59 -0.27 0.00 2.44 1.04 -1.26 -5.17 113.70 112.07 2csf s SER 6 Ca 0.05 0.40 0.00 0.00 0.48 0.00 0.00 55.95 56.88 2csf s SER 6 Cb -0.16 0.51 0.00 0.00 0.10 0.00 0.00 66.02 66.47 2csf s SER 6 CO 0.03 -0.28 0.00 0.61 0.98 0.00 0.00 173.24 174.59 2csf n GLY 7 N 2.12 -1.20 3.67 7.32 0.00 -1.26 -5.13 105.19 110.71 2csf n GLY 7 Ca -0.17 -0.90 -0.42 0.00 0.00 0.00 0.00 46.02 44.53 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 -0.85 4.23 0.35 1.61 0.04 -1.26 -4.99 135.00 134.12 2csf s PRO 8 Ca 0.00 2.01 -0.27 0.00 0.04 0.00 0.00 61.00 62.79 2csf s PRO 8 Cb 0.00 -3.77 -0.09 0.00 0.04 0.00 0.00 34.50 30.68 2csf s PRO 8 CO 0.00 -0.71 1.12 0.42 0.04 0.00 0.00 177.00 177.86 2csf s ILE 9 N 3.24 3.41 -0.37 0.56 1.01 -1.26 -5.01 121.20 122.78 2csf s ILE 9 Ca 0.66 1.25 -0.15 0.00 0.00 0.00 0.00 60.65 62.41 2csf s ILE 9 Cb -0.31 -3.73 0.00 0.00 0.01 0.00 0.00 42.46 38.43 2csf s ILE 9 CO 0.26 0.17 0.35 -0.54 0.00 0.00 0.00 174.94 175.18 2csf s LYS 10 N -2.01 3.34 -0.51 2.79 -0.14 -1.26 -4.95 119.74 117.00 2csf s LYS 10 Ca 0.52 -0.64 0.03 0.00 -1.36 0.00 0.00 55.97 54.52 2csf s LYS 10 Cb -0.29 -3.87 0.43 0.00 -1.68 0.00 0.00 37.83 32.41 2csf s LYS 10 CO 0.37 -0.63 1.50 1.55 -0.76 0.00 0.00 175.35 177.39 2csf n VAL 11 N 5.25 2.92 0.52 3.17 3.14 -1.26 -4.80 118.33 127.27 2csf n VAL 11 Ca -0.10 -4.11 -0.20 0.00 -2.96 0.00 0.00 64.34 56.97 2csf n VAL 11 Cb 0.49 -1.19 -0.10 0.00 -1.06 0.00 0.00 33.84 31.98 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 2.37 -1.12 0.08 6.55 1.82 -1.96 -3.37 116.42 120.80 2csf h ASP 12 Ca 0.44 0.04 -0.00 0.00 -0.39 0.00 0.00 57.03 57.12 2csf h ASP 12 Cb 0.97 0.29 0.00 0.00 0.68 0.00 0.00 39.33 41.27 2csf h ASP 12 CO 1.09 -0.78 -0.04 1.23 -1.61 0.00 0.00 179.24 179.13 2csf h GLY 13 N -1.34 -0.11 -2.50 -0.78 0.00 -2.05 -3.47 103.07 92.82 2csf h GLY 13 Ca -0.13 0.04 -0.54 0.00 0.00 0.00 0.00 47.33 46.70 2csf h GLY 13 CO 0.22 -0.04 -1.18 0.00 0.00 0.00 0.00 176.54 175.53 2csf n ALA 14 N -2.77 -3.93 -1.67 3.60 0.00 -1.26 -4.77 120.51 109.71 2csf n ALA 14 Ca -0.01 -0.62 -0.46 0.00 0.00 0.00 0.00 53.44 52.34 2csf n ALA 14 Cb 0.05 -1.48 -0.04 0.00 0.00 0.00 0.00 19.45 17.97 2csf n ALA 14 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 2csf n ASN 15 N 1.05 3.07 -4.71 0.00 4.13 -1.26 -4.80 115.26 112.74 2csf n ASN 15 Ca 0.03 1.08 -0.60 0.00 1.68 0.00 0.00 54.58 56.77 2csf n ASN 15 Cb 0.54 -1.42 -0.08 0.00 -1.54 0.00 0.00 39.78 37.29 2csf n ASN 15 CO 0.00 0.00 0.00 -0.38 0.28 0.00 0.00 177.26 177.16 2csf n ILE 16 N 3.51 0.21 -3.37 2.41 5.41 -1.26 -4.90 119.36 121.37 2csf n ILE 16 Ca 0.17 -0.04 -0.44 0.00 1.00 0.00 0.00 62.75 63.44 2csf n ILE 16 Cb 0.28 -1.00 -0.07 0.00 -0.71 0.00 0.00 39.64 38.14 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 3.12 6.15 0.39 4.38 3.84 -1.26 -5.06 114.94 126.50 2csf s ASN 17 Ca 0.99 -1.28 -0.23 0.00 0.21 0.00 0.00 52.86 52.55 2csf s ASN 17 Cb -1.17 -2.19 -0.11 0.00 -0.55 0.00 0.00 41.25 37.23 2csf s ASN 17 CO 0.68 -0.67 0.95 -0.63 -2.79 0.00 0.00 177.10 174.64 2csf s ILE 18 N 1.74 4.30 0.03 -5.21 -1.09 -1.26 -5.07 121.20 114.64 2csf s ILE 18 Ca 0.05 1.61 -0.09 0.00 -2.23 0.00 0.00 60.65 59.99 2csf s ILE 18 Cb -0.24 -3.76 0.00 0.00 -1.58 0.00 0.00 42.46 36.89 2csf s ILE 18 CO 0.07 -0.14 0.18 0.42 -1.23 0.00 0.00 174.94 174.24 2csf s THR 19 N -1.95 0.11 0.39 2.92 -4.23 -1.26 -4.86 115.64 106.75 2csf s THR 19 Ca 0.57 -0.88 0.21 0.00 -1.18 0.00 0.00 61.69 60.41 2csf s THR 19 Cb -0.13 -0.84 0.40 0.00 1.34 0.00 0.00 72.50 73.27 2csf s THR 19 CO 0.17 -0.48 1.69 0.00 -0.54 0.00 0.00 174.62 175.46 2csf h ALA 20 N 3.60 2.29 -1.15 3.99 0.00 -1.90 0.36 119.26 126.45 2csf h ALA 20 Ca -0.32 0.12 0.34 0.00 0.00 0.00 0.00 54.91 55.05 2csf h ALA 20 Cb 1.19 0.13 -0.11 0.00 0.00 0.00 0.00 17.79 19.00 2csf h ALA 20 CO 0.47 -0.84 0.75 0.00 0.00 0.00 0.00 179.25 179.63 2csf h ALA 21 N 1.69 2.46 -1.16 0.00 0.00 -1.98 0.75 119.26 121.03 2csf h ALA 21 Ca 0.72 0.08 0.43 0.00 0.00 0.00 0.00 54.91 56.13 2csf h ALA 21 Cb 1.90 0.10 -0.16 0.00 0.00 0.00 0.00 17.79 19.63 2csf h ALA 21 CO -0.45 -0.96 0.69 0.97 0.00 0.00 0.00 179.25 179.51 2csf h ILE 22 N 0.25 0.05 -0.31 0.00 2.10 -0.68 0.88 117.51 119.80 2csf h ILE 22 Ca 0.68 -0.02 -0.03 0.00 1.08 0.00 0.00 64.86 66.58 2csf h ILE 22 Cb 1.95 -0.00 -0.01 0.00 -1.09 0.00 0.00 36.82 37.67 2csf h ILE 22 CO -0.33 0.01 0.09 1.88 -1.08 0.00 0.00 178.15 178.71 2csf h TYR 23 N 0.04 0.51 -0.02 2.19 0.05 -1.05 -2.53 116.97 116.16 2csf h TYR 23 Ca 0.85 -0.06 -0.00 0.00 0.05 0.00 0.00 58.73 59.57 2csf h TYR 23 Cb 2.41 -0.15 -0.00 0.00 1.01 0.00 0.00 36.73 40.01 2csf h TYR 23 CO -0.01 0.53 0.01 -0.44 -1.05 0.00 0.00 178.16 177.20 2csf h ASP 24 N 0.34 0.03 -0.94 3.88 3.32 0.59 -2.42 116.42 121.22 2csf h ASP 24 Ca 0.10 -0.09 0.18 0.00 0.02 0.00 0.00 57.03 57.24 2csf h ASP 24 Cb 0.27 -0.01 -0.08 0.00 0.22 0.00 0.00 39.33 39.73 2csf h ASP 24 CO -0.00 0.10 0.60 -0.33 -1.72 0.00 0.00 179.24 177.89 2csf h GLU 25 N -0.05 0.61 -0.36 3.56 5.08 -1.21 -0.46 114.58 121.74 2csf h GLU 25 Ca 0.01 -0.04 -0.06 0.00 -1.00 0.00 0.00 59.36 58.27 2csf h GLU 25 Cb 0.08 -0.14 -0.01 0.00 0.50 0.00 0.00 28.75 29.18 2csf h GLU 25 CO -0.00 0.40 -0.01 0.82 -1.00 0.00 0.00 179.01 179.22 2csf h ILE 26 N 0.62 1.26 0.13 3.13 2.04 -1.06 0.24 117.51 123.87 2csf h ILE 26 Ca 0.50 -1.00 -0.00 0.00 1.00 0.00 0.00 64.86 65.36 2csf h ILE 26 Cb 0.94 1.19 -0.01 0.00 -0.74 0.00 0.00 36.82 38.20 2csf h ILE 26 CO -0.25 0.33 -0.09 1.56 0.00 0.00 0.00 178.15 179.70 2csf h GLN 27 N 0.46 -0.21 -0.05 2.37 4.20 -0.65 -2.36 115.11 118.88 2csf h GLN 27 Ca 0.10 0.01 -0.01 0.00 0.06 0.00 0.00 58.65 58.82 2csf h GLN 27 Cb 0.47 0.05 -0.00 0.00 0.30 0.00 0.00 27.48 28.30 2csf h GLN 27 CO 0.02 -0.14 -0.01 1.96 -0.67 0.00 0.00 178.83 179.99 2csf h GLN 28 N -0.22 0.09 -1.22 1.46 4.20 -1.32 -2.96 115.11 115.14 2csf h GLN 28 Ca -0.01 -0.03 0.36 0.00 0.06 0.00 0.00 58.65 59.03 2csf h GLN 28 Cb 0.19 -0.01 -0.09 0.00 0.30 0.00 0.00 27.48 27.88 2csf h GLN 28 CO -0.00 0.42 0.82 1.49 -0.67 0.00 0.00 178.83 180.89 2csf h GLU 29 N -0.25 0.18 0.58 1.46 4.57 -0.46 0.76 114.58 121.41 2csf h GLU 29 Ca 0.01 -0.01 -0.03 0.00 -1.18 0.00 0.00 59.36 58.15 2csf h GLU 29 Cb 0.39 -0.04 0.01 0.00 -0.16 0.00 0.00 28.75 28.94 2csf h GLU 29 CO 0.00 0.12 -0.28 0.52 -1.18 0.00 0.00 179.01 178.19 2csf h MET 30 N 0.18 -0.75 0.00 1.92 2.86 -1.25 0.19 114.93 118.08 2csf h MET 30 Ca 0.68 0.05 -0.00 0.00 -2.06 0.00 0.00 59.70 58.36 2csf h MET 30 Cb 2.16 0.17 -0.00 0.00 0.06 0.00 0.00 31.60 33.99 2csf h MET 30 CO -0.25 -0.44 -0.02 1.57 1.06 0.00 0.00 176.91 178.83 2csf h LYS 31 N -1.00 0.00 0.19 1.72 5.09 -1.03 1.00 116.57 122.55 2csf h LYS 31 Ca -0.08 0.00 -0.29 0.00 0.09 0.00 0.00 60.65 60.37 2csf h LYS 31 Cb 0.66 0.00 0.02 0.00 0.10 0.00 0.00 32.23 33.01 2csf h LYS 31 CO 0.13 0.02 -1.36 -0.09 -2.09 0.00 0.00 179.45 176.07 2csf h ARG 32 N 0.00 0.41 0.00 0.07 9.65 -0.69 -3.32 114.38 120.50 2csf h ARG 32 Ca -0.00 -0.70 0.00 0.00 -1.10 0.00 0.00 59.98 58.18 2csf h ARG 32 Cb 0.14 0.26 0.00 0.00 -1.39 0.00 0.00 29.97 28.98 2csf h ARG 32 CO 0.00 1.34 -0.59 0.00 2.80 0.00 0.00 179.97 183.52 2csf n ALA 33 N -2.77 3.07 -2.70 2.80 0.00 0.63 -4.97 120.51 116.56 2csf n ALA 33 Ca -0.19 -0.27 -0.08 0.00 0.00 0.00 0.00 53.44 52.90 2csf n ALA 33 Cb 1.00 -1.16 0.04 0.00 0.00 0.00 0.00 19.45 19.33 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 -1.94 -3.17 -3.78 0.00 4.76 0.34 -4.96 118.16 109.41 2csf n LYS 34 Ca 0.04 0.40 -0.20 0.00 -2.87 0.00 0.00 58.31 55.68 2csf n LYS 34 Cb 0.41 -4.09 -0.05 0.00 -1.84 0.00 0.00 35.03 29.47 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 -2.57 0.00 -4.38 -0.18 0.24 -0.73 -4.42 118.33 106.29 2csf n VAL 35 Ca -0.12 -1.67 -0.29 0.00 -2.04 0.00 0.00 64.34 60.21 2csf n VAL 35 Cb 0.58 0.47 -0.13 0.00 -1.47 0.00 0.00 33.84 33.29 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 -2.85 3.38 0.49 -1.34 0.15 -1.26 -4.65 113.70 107.61 2csf s SER 36 Ca 0.07 -0.73 0.40 0.00 0.70 0.00 0.00 55.95 56.39 2csf s SER 36 Cb 0.00 -0.25 1.59 0.00 -1.71 0.00 0.00 66.02 65.65 2csf s SER 36 CO 0.05 0.18 1.59 1.56 1.20 0.00 0.00 173.24 177.82 2csf h GLN 37 N 3.86 0.02 -0.35 5.44 4.20 -1.97 1.35 115.11 127.66 2csf h GLN 37 Ca -0.51 -0.00 -0.10 0.00 0.06 0.00 0.00 58.65 58.10 2csf h GLN 37 Cb 1.17 -0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.94 2csf h GLN 37 CO 0.40 0.01 -0.18 0.00 -0.67 0.00 0.00 178.83 178.39 2csf h ALA 38 N 1.36 0.49 0.36 3.87 0.00 -1.92 -2.56 119.26 120.85 2csf h ALA 38 Ca 0.89 -0.35 -0.02 0.00 0.00 0.00 0.00 54.91 55.43 2csf h ALA 38 Cb 3.17 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 20.85 2csf h ALA 38 CO -0.26 0.42 -0.17 1.25 0.00 0.00 0.00 179.25 180.49 2csf h LEU 39 N 0.52 -0.40 -1.22 0.00 5.85 0.14 -0.03 115.31 120.16 2csf h LEU 39 Ca 0.08 0.01 0.38 0.00 0.84 0.00 0.00 57.88 59.19 2csf h LEU 39 Cb 0.72 0.10 -0.14 0.00 0.37 0.00 0.00 40.66 41.72 2csf h LEU 39 CO 0.05 -0.12 0.70 0.15 -0.34 0.00 0.00 178.44 178.88 2csf h PHE 40 N -0.81 0.71 0.00 1.25 3.04 -1.39 1.82 116.94 121.55 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 0.37 -0.18 -0.02 0.00 2.56 0.00 0.00 35.95 38.68 2csf h PHE 40 CO 0.04 -0.20 -0.60 0.00 -2.02 0.00 0.00 178.31 175.53 2csf h ALA 41 N 1.73 0.67 0.00 2.41 0.00 -1.47 0.11 119.26 122.71 2csf h ALA 41 Ca 0.77 -0.49 -0.16 0.00 0.00 0.00 0.00 54.91 55.03 2csf h ALA 41 Cb 2.11 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 19.83 2csf h ALA 41 CO -0.51 0.65 -0.88 -0.22 0.00 0.00 0.00 179.25 178.29 2csf h LYS 42 N 0.00 0.00 0.00 0.00 3.11 0.45 1.66 116.57 121.78 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 1.40 0.00 0.00 0.00 -1.00 0.00 0.00 32.23 32.63 2csf h LYS 42 CO 0.06 0.64 -1.35 1.33 -2.81 0.00 0.00 179.45 177.32 2csf n VAL 43 N -3.21 0.00 -0.06 2.00 0.24 0.19 -3.29 118.33 114.21 2csf n VAL 43 Ca -0.02 -0.21 -0.05 0.00 -2.04 0.00 0.00 64.34 62.02 2csf n VAL 43 Cb 0.84 0.60 -0.02 0.00 -1.47 0.00 0.00 33.84 33.80 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 -1.78 0.52 0.69 2.33 0.00 0.03 -4.73 120.51 117.57 2csf n ALA 44 Ca 0.01 -0.56 0.07 0.00 0.00 0.00 0.00 53.44 52.96 2csf n ALA 44 Cb 0.41 0.02 -0.04 0.00 0.00 0.00 0.00 19.45 19.83 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 -3.67 3.53 -2.33 0.00 0.00 -0.78 -4.45 120.51 112.82 2csf n ALA 45 Ca -0.08 -0.47 -0.16 0.00 0.00 0.00 0.00 53.44 52.73 2csf n ALA 45 Cb 0.31 -0.54 -0.01 0.00 0.00 0.00 0.00 19.45 19.21 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 -0.73 -4.72 -3.80 0.00 2.85 0.53 -4.94 115.26 104.46 2csf n ASN 46 Ca 0.05 -0.03 -0.13 0.00 -0.11 0.00 0.00 54.58 54.36 2csf n ASN 46 Cb 0.28 -3.83 0.03 0.00 1.24 0.00 0.00 39.78 37.50 2csf n ASN 46 CO 0.00 0.00 0.00 0.29 -2.11 0.00 0.00 177.26 175.44 2csf n LYS 47 N -2.54 0.81 -3.69 1.20 4.76 0.76 -4.84 118.16 114.62 2csf n LYS 47 Ca -0.18 -1.98 -0.33 0.00 -2.87 0.00 0.00 58.31 52.95 2csf n LYS 47 Cb 0.64 -0.06 -0.05 0.00 -1.84 0.00 0.00 35.03 33.72 2csf n LYS 47 CO 0.00 0.00 0.00 -1.54 -1.37 0.00 0.00 177.40 174.49 2csf s SER 48 N -3.17 6.52 0.21 4.39 1.04 -1.26 -3.68 113.70 117.76 2csf s SER 48 Ca 0.33 0.61 -0.14 0.00 0.48 0.00 0.00 55.95 57.23 2csf s SER 48 Cb -0.03 -2.10 0.24 0.00 0.10 0.00 0.00 66.02 64.23 2csf s SER 48 CO 0.21 0.15 1.38 1.67 0.98 0.00 0.00 173.24 177.63 2csf n GLN 49 N 0.61 -0.19 -0.33 4.02 7.27 -1.26 0.12 117.38 127.62 2csf n GLN 49 Ca -0.07 1.37 0.26 0.00 0.07 0.00 0.00 57.00 58.63 2csf n GLN 49 Cb 0.52 -2.04 0.50 0.00 2.41 0.00 0.00 30.24 31.64 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 2.09 1.87 1.69 0.00 -1.94 1.25 103.07 108.02 2csf h GLY 50 Ca 0.32 -0.22 -0.11 0.00 0.00 0.00 0.00 47.33 47.32 2csf h GLY 50 CO -0.89 -0.55 -0.48 -0.25 0.00 0.00 0.00 176.54 174.37 2csf h TRP 51 N 0.25 0.18 0.00 5.60 7.01 0.57 -2.93 115.95 126.63 2csf h TRP 51 Ca 0.76 -0.05 -0.01 0.00 2.11 0.00 0.00 58.89 61.70 2csf h TRP 51 Cb 1.82 -0.04 -0.00 0.00 -2.10 0.00 0.00 29.16 28.84 2csf h TRP 51 CO -0.01 0.60 -0.12 1.25 -2.79 0.00 0.00 178.44 177.37 2csf h LEU 52 N 0.12 0.00 -0.95 0.65 7.12 0.16 -3.26 115.31 119.14 2csf h LEU 52 Ca 0.00 -0.10 0.17 0.00 0.13 0.00 0.00 57.88 58.09 2csf h LEU 52 Cb 0.89 0.00 -0.17 0.00 -0.53 0.00 0.00 40.66 40.85 2csf h LEU 52 CO 0.07 0.61 -0.29 0.00 -0.13 0.00 0.00 178.44 178.70 2csf h GLU 54 N -0.01 -0.43 -0.97 0.00 5.08 -1.68 -0.51 114.58 116.07 2csf h GLU 54 Ca 0.41 0.03 0.31 0.00 -1.00 0.00 0.00 59.36 59.11 2csf h GLU 54 Cb 0.66 0.10 -0.17 0.00 0.50 0.00 0.00 28.75 29.84 2csf h GLU 54 CO -0.97 -0.28 0.31 -0.07 -1.00 0.00 0.00 179.01 176.99 2csf h LEU 55 N -0.44 0.02 -0.47 1.33 4.07 -0.81 1.85 115.31 120.86 2csf h LEU 55 Ca 0.07 0.24 -0.10 0.00 0.08 0.00 0.00 57.88 58.17 2csf h LEU 55 Cb 0.55 0.32 -0.01 0.00 1.08 0.00 0.00 40.66 42.59 2csf h LEU 55 CO -0.29 -0.30 -0.50 -0.07 -1.08 0.00 0.00 178.44 176.21 2csf h LEU 56 N 0.10 0.00 0.16 1.67 3.38 -0.94 0.41 115.31 120.09 2csf h LEU 56 Ca 0.68 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.64 2csf h LEU 56 Cb 1.56 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.31 2csf h LEU 56 CO -0.76 0.50 -0.07 -0.09 0.09 0.00 0.00 178.44 178.10 2csf h ARG 57 N 0.00 -0.20 0.10 1.13 2.43 0.42 -3.38 114.38 114.87 2csf h ARG 57 Ca -0.00 0.01 -0.14 0.00 -0.81 0.00 0.00 59.98 59.04 2csf h ARG 57 Cb 1.18 0.05 0.01 0.00 -0.42 0.00 0.00 29.97 30.79 2csf h ARG 57 CO 0.06 0.08 -0.64 -1.49 -1.51 0.00 0.00 179.97 176.47 2csf h TRP 58 N -1.00 0.39 -6.04 2.20 4.06 -0.39 -3.48 115.95 111.69 2csf h TRP 58 Ca -0.02 -0.29 -0.41 0.00 2.06 0.00 0.00 58.89 60.23 2csf h TRP 58 Cb 0.37 -0.02 0.06 0.00 -1.00 0.00 0.00 29.16 28.58 2csf h TRP 58 CO 0.05 1.25 -0.80 1.63 -3.56 0.00 0.00 178.44 177.01 2csf n LYS 59 N -4.24 -5.51 -0.70 0.49 5.02 0.14 -4.93 118.16 108.43 2csf n LYS 59 Ca -0.14 0.67 -0.33 0.00 -2.02 0.00 0.00 58.31 56.49 2csf n LYS 59 Cb 0.74 -5.39 0.16 0.00 -0.02 0.00 0.00 35.03 30.51 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 -4.38 -1.45 -2.86 1.97 4.71 -1.26 -4.88 120.64 112.49 2csf n GLU 60 Ca -0.22 -0.41 -0.42 0.00 -0.01 0.00 0.00 57.16 56.11 2csf n GLU 60 Cb 0.64 -1.64 -0.04 0.00 -1.01 0.00 0.00 31.44 29.39 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 6.66 0.36 1.62 2.47 -1.26 -4.89 114.94 118.13 2csf s ASN 61 Ca 0.54 0.56 -0.27 0.00 0.42 0.00 0.00 52.86 54.12 2csf s ASN 61 Cb -0.10 -2.44 -0.09 0.00 -1.45 0.00 0.00 41.25 37.17 2csf s ASN 61 CO 0.66 -0.78 1.21 -2.16 -3.72 0.00 0.00 177.10 172.31 2csf s PRO 62 N 3.28 4.22 0.04 0.43 0.04 -1.26 -5.01 135.00 136.75 2csf s PRO 62 Ca 0.36 1.96 -0.27 0.00 0.04 0.00 0.00 61.00 63.09 2csf s PRO 62 Cb -0.13 -2.87 0.09 0.00 0.04 0.00 0.00 34.50 31.63 2csf s PRO 62 CO 0.17 -0.21 0.77 -1.12 0.04 0.00 0.00 177.00 176.64 2csf s SER 63 N -0.88 -0.47 0.00 6.66 0.01 -1.26 -4.88 113.70 112.88 2csf s SER 63 Ca 0.53 0.09 0.15 0.00 1.31 0.00 0.00 55.95 58.03 2csf s SER 63 Cb -0.34 0.47 0.91 0.00 0.21 0.00 0.00 66.02 67.28 2csf s SER 63 CO 0.44 -0.73 1.33 -0.81 0.41 0.00 0.00 173.24 173.87 2csf n PRO 64 N -0.13 0.49 0.02 12.44 -0.04 -1.26 -2.63 135.00 143.90 2csf n PRO 64 Ca -0.13 0.00 -0.20 0.00 -0.04 0.00 0.00 63.50 63.13 2csf n PRO 64 Cb 0.62 -1.49 -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 0.27 -6.57 0.54 4.39 -1.99 -3.44 114.58 107.79 2csf h GLU 65 Ca 0.00 -0.47 -0.56 0.00 0.34 0.00 0.00 59.36 58.67 2csf h GLU 65 Cb 0.00 0.17 -0.08 0.00 -0.10 0.00 0.00 28.75 28.75 2csf h GLU 65 CO 0.00 1.17 0.90 1.21 -1.16 0.00 0.00 179.01 181.13 2csf s ASN 66 N -7.02 6.53 -0.00 1.42 3.84 -1.08 -4.93 114.94 113.70 2csf s ASN 66 Ca -0.18 0.24 -0.04 0.00 0.21 0.00 0.00 52.86 53.09 2csf s ASN 66 Cb 0.06 -2.54 -0.02 0.00 -0.55 0.00 0.00 41.25 38.20 2csf s ASN 66 CO 0.80 -1.33 0.59 0.03 -2.79 0.00 0.00 177.10 174.40 2csf h ARG 67 N 9.36 -0.15 -1.35 0.43 2.47 -1.86 0.91 114.38 124.19 2csf h ARG 67 Ca -0.24 0.01 0.41 0.00 -1.26 0.00 0.00 59.98 58.90 2csf h ARG 67 Cb 1.06 0.03 -0.10 0.00 -1.65 0.00 0.00 29.97 29.32 2csf h ARG 67 CO 1.14 -0.10 0.91 1.15 0.56 0.00 0.00 179.97 183.63 2csf h THR 68 N -0.26 0.24 0.00 2.04 2.02 -1.99 0.53 112.91 115.49 2csf h THR 68 Ca -0.02 -0.04 0.00 0.00 0.77 0.00 0.00 66.41 67.12 2csf h THR 68 Cb 0.12 0.11 0.00 0.00 -1.74 0.00 0.00 68.15 66.64 2csf h THR 68 CO 0.03 0.02 -0.06 0.25 0.37 0.00 0.00 175.52 176.13 2csf h LEU 69 N 0.12 0.00 -0.81 2.58 5.85 -1.95 -3.30 115.31 117.79 2csf h LEU 69 Ca 0.74 0.00 0.16 0.00 0.84 0.00 0.00 57.88 59.63 2csf h LEU 69 Cb 2.50 0.00 -0.15 0.00 0.37 0.00 0.00 40.66 43.38 2csf h LEU 69 CO -0.24 0.11 -0.19 -0.25 -0.34 0.00 0.00 178.44 177.53 2csf h TRP 70 N -0.17 -0.41 -0.06 1.25 2.91 0.12 0.18 115.95 119.77 2csf h TRP 70 Ca 0.00 0.07 0.01 0.00 1.13 0.00 0.00 58.89 60.10 2csf h TRP 70 Cb 0.06 0.31 -0.02 0.00 -0.51 0.00 0.00 29.16 28.99 2csf h TRP 70 CO -0.02 -0.35 -0.17 0.93 -1.03 0.00 0.00 178.44 177.80 2csf h GLU 71 N 0.00 -0.16 0.09 2.65 5.08 -0.07 0.51 114.58 122.67 2csf h GLU 71 Ca 0.39 0.01 0.02 0.00 -1.00 0.00 0.00 59.36 58.79 2csf h GLU 71 Cb 0.61 0.04 -0.04 0.00 0.50 0.00 0.00 28.75 29.85 2csf h GLU 71 CO -0.83 -0.11 -0.30 -0.91 -1.00 0.00 0.00 179.01 175.87 2csf h ASN 72 N -0.17 -0.86 -0.28 1.42 2.35 -1.43 0.09 115.58 116.70 2csf h ASN 72 Ca 0.01 0.10 0.08 0.00 -0.55 0.00 0.00 56.30 55.95 2csf h ASN 72 Cb 0.20 0.33 -0.01 0.00 0.05 0.00 0.00 38.32 38.89 2csf h ASN 72 CO -0.14 -0.38 0.42 -0.07 -1.65 0.00 0.00 177.43 175.61 2csf h LEU 73 N -0.49 0.00 -0.04 1.61 3.38 -0.43 -0.23 115.31 119.11 2csf h LEU 73 Ca 0.04 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.98 2csf h LEU 73 Cb 0.54 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.29 2csf h LEU 73 CO -0.19 0.00 -0.09 0.00 0.09 0.00 0.00 178.44 178.25 2csf h THR 75 N -0.40 1.24 0.00 0.00 1.03 -0.72 -2.49 112.91 111.57 2csf h THR 75 Ca 0.00 -1.00 -0.10 0.00 -0.01 0.00 0.00 66.41 65.30 2csf h THR 75 Cb 0.67 0.92 -0.01 0.00 -1.07 0.00 0.00 68.15 68.66 2csf h THR 75 CO 0.02 0.35 -0.49 0.40 -0.01 0.00 0.00 175.52 175.79 2csf h ILE 76 N 0.69 1.20 -0.34 0.00 2.04 -1.37 -2.98 117.51 116.75 2csf h ILE 76 Ca 0.13 -1.76 -0.14 0.00 1.00 0.00 0.00 64.86 64.09 2csf h ILE 76 Cb 0.45 1.99 -0.01 0.00 -0.74 0.00 0.00 36.82 38.51 2csf h ILE 76 CO 0.02 0.48 -0.36 -0.09 0.00 0.00 0.00 178.15 178.20 2csf h ARG 77 N 0.00 0.78 -0.10 2.37 9.65 -0.89 -2.97 114.38 123.22 2csf h ARG 77 Ca -0.00 -0.39 -0.10 0.00 -1.10 0.00 0.00 59.98 58.38 2csf h ARG 77 Cb 0.95 0.00 -0.01 0.00 -1.39 0.00 0.00 29.97 29.52 2csf h ARG 77 CO 0.06 1.01 -0.40 0.00 2.80 0.00 0.00 179.97 183.45 2csf h ARG 78 N 0.65 0.22 0.47 0.20 3.08 -1.39 -3.01 114.38 114.61 2csf h ARG 78 Ca 0.06 -0.10 -0.02 0.00 0.07 0.00 0.00 59.98 59.98 2csf h ARG 78 Cb 0.91 -0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.96 2csf h ARG 78 CO 0.08 0.59 -0.23 0.35 -1.07 0.00 0.00 179.97 179.70 2csf h PHE 79 N 0.19 -0.59 -0.73 3.04 3.04 -1.38 -2.74 116.94 117.78 2csf h PHE 79 Ca 0.02 -0.01 0.14 0.00 3.98 0.00 0.00 57.97 62.09 2csf h PHE 79 Cb 0.79 0.19 -0.05 0.00 2.56 0.00 0.00 35.95 39.45 2csf h PHE 79 CO 0.01 -0.32 0.49 -0.07 -2.02 0.00 0.00 178.31 176.40 2csf h LEU 80 N -0.72 0.39 -1.83 0.59 3.38 -1.53 0.21 115.31 115.80 2csf h LEU 80 Ca -0.06 0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.92 2csf h LEU 80 Cb 0.53 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 41.22 2csf h LEU 80 CO 0.11 0.21 0.10 0.78 0.09 0.00 0.00 178.44 179.73 2csf h ASN 81 N 0.42 0.00 -4.16 -0.43 2.35 -1.34 -3.42 115.58 108.99 2csf h ASN 81 Ca 0.35 0.00 -0.49 0.00 -0.55 0.00 0.00 56.30 55.62 2csf h ASN 81 Cb 0.79 0.00 0.06 0.00 0.05 0.00 0.00 38.32 39.22 2csf h ASN 81 CO -0.11 0.00 0.38 -0.76 -1.65 0.00 0.00 177.43 175.29 2csf s LEU 82 N -5.05 3.59 0.48 1.61 1.43 0.74 -5.01 118.68 116.47 2csf s LEU 82 Ca -0.03 1.88 -0.22 0.00 -1.03 0.00 0.00 54.13 54.73 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 0.25 -1.11 1.16 -2.16 0.23 0.00 0.00 176.35 174.72 2csf s PRO 83 N -3.83 3.64 0.29 1.29 0.04 -1.26 -4.73 135.00 130.44 2csf s PRO 83 Ca 0.65 1.73 0.03 0.00 0.04 0.00 0.00 61.00 63.45 2csf s PRO 83 Cb -0.17 -2.29 0.73 0.00 0.04 0.00 0.00 34.50 32.81 2csf s PRO 83 CO 0.33 -0.64 1.65 0.37 0.04 0.00 0.00 177.00 178.74 2csf h GLN 84 N 1.81 0.21 -0.11 4.56 5.75 -1.95 1.05 115.11 126.43 2csf h GLN 84 Ca -0.50 -0.01 0.01 0.00 -0.15 0.00 0.00 58.65 58.01 2csf h GLN 84 Cb 1.25 -0.05 -0.01 0.00 1.07 0.00 0.00 27.48 29.75 2csf h GLN 84 CO 0.59 0.14 0.07 1.12 -2.65 0.00 0.00 178.83 178.10 2csf h HIS 85 N 0.21 0.08 0.05 3.99 2.07 -2.00 -1.80 115.15 117.76 2csf h HIS 85 Ca 0.56 0.00 -0.00 0.00 -2.85 0.00 0.00 60.37 58.08 2csf h HIS 85 Cb 1.14 -0.03 0.00 0.00 2.57 0.00 0.00 27.41 31.09 2csf h HIS 85 CO -0.25 0.05 -0.02 0.93 -3.07 0.00 0.00 177.93 175.56 2csf h GLU 86 N 0.08 -0.06 -0.97 5.12 4.39 0.77 -3.12 114.58 120.79 2csf h GLU 86 Ca 0.04 0.00 0.31 0.00 0.34 0.00 0.00 59.36 60.06 2csf h GLU 86 Cb 0.08 0.01 -0.17 0.00 -0.10 0.00 0.00 28.75 28.58 2csf h GLU 86 CO -0.01 -0.04 0.31 0.00 -1.16 0.00 0.00 179.01 178.12 2csf h ARG 87 N -0.29 0.10 -0.90 2.33 3.08 -1.29 0.95 114.38 118.36 2csf h ARG 87 Ca -0.01 -0.01 0.04 0.00 0.07 0.00 0.00 59.98 60.08 2csf h ARG 87 Cb 0.05 -0.02 -0.06 0.00 0.08 0.00 0.00 29.97 30.02 2csf h ARG 87 CO 0.01 0.07 0.57 0.22 -1.07 0.00 0.00 179.97 179.77 2csf h ASP 88 N 0.10 0.94 -0.18 7.04 1.82 -1.45 -1.97 116.42 122.73 2csf h ASP 88 Ca 0.68 0.00 -0.01 0.00 -0.39 0.00 0.00 57.03 57.31 2csf h ASP 88 Cb 1.57 -0.20 -0.01 0.00 0.68 0.00 0.00 39.33 41.37 2csf h ASP 88 CO -0.76 0.63 0.07 0.58 -1.61 0.00 0.00 179.24 178.15 2csf h VAL 89 N 1.09 1.16 -0.30 2.25 2.07 0.99 0.12 116.25 123.63 2csf h VAL 89 Ca 0.37 -0.49 0.05 0.00 0.82 0.00 0.00 66.70 67.45 2csf h VAL 89 Cb 0.06 1.15 -0.05 0.00 -1.52 0.00 0.00 31.29 30.93 2csf h VAL 89 CO -0.14 0.16 0.01 0.40 0.02 0.00 0.00 177.57 178.01 2csf h ILE 90 N 0.14 0.79 -0.26 4.57 2.04 -0.99 0.12 117.51 123.92 2csf h ILE 90 Ca 0.06 -0.03 -0.02 0.00 1.00 0.00 0.00 64.86 65.86 2csf h ILE 90 Cb 0.18 0.69 -0.01 0.00 -0.74 0.00 0.00 36.82 36.94 2csf h ILE 90 CO -0.00 0.02 0.07 1.88 0.00 0.00 0.00 178.15 180.11 2csf h TYR 91 N 0.10 0.43 0.36 1.37 0.05 -1.28 -0.18 116.97 117.81 2csf h TYR 91 Ca 0.14 -0.05 -0.00 0.00 0.05 0.00 0.00 58.73 58.87 2csf h TYR 91 Cb 0.19 -0.12 -0.02 0.00 1.01 0.00 0.00 36.73 37.79 2csf h TYR 91 CO -0.22 0.49 -0.32 0.93 -1.05 0.00 0.00 178.16 178.00 2csf h GLU 92 N 0.25 -0.66 -0.94 4.88 4.39 -0.58 0.27 114.58 122.19 2csf h GLU 92 Ca 0.08 0.05 0.02 0.00 0.34 0.00 0.00 59.36 59.85 2csf h GLU 92 Cb 0.27 0.15 -0.05 0.00 -0.10 0.00 0.00 28.75 29.02 2csf h GLU 92 CO 0.00 -0.44 0.62 0.93 -1.16 0.00 0.00 179.01 178.95 2csf h GLU 93 N -0.69 1.19 0.32 2.33 4.39 -0.77 -3.20 114.58 118.15 2csf h GLU 93 Ca -0.03 -0.07 -0.02 0.00 0.34 0.00 0.00 59.36 59.59 2csf h GLU 93 Cb 0.61 -0.27 0.00 0.00 -0.10 0.00 0.00 28.75 29.00 2csf h GLU 93 CO -0.04 0.79 -0.15 1.49 -1.16 0.00 0.00 179.01 179.94 2csf h GLU 94 N 1.23 -0.41 -6.43 2.33 4.57 -0.65 -3.45 114.58 111.76 2csf h GLU 94 Ca 0.36 0.03 -0.67 0.00 -1.18 0.00 0.00 59.36 57.89 2csf h GLU 94 Cb -0.07 0.09 -0.18 0.00 -0.16 0.00 0.00 28.75 28.43 2csf h GLU 94 CO -0.10 -0.27 -0.74 0.45 -1.18 0.00 0.00 179.01 177.17 2csf s SER 95 N -2.99 4.38 0.05 1.04 0.15 0.92 -5.04 113.70 112.21 2csf s SER 95 Ca -0.06 -0.28 -0.24 0.00 0.70 0.00 0.00 55.95 56.07 2csf s SER 95 Cb 0.01 -0.90 -0.17 0.00 -1.71 0.00 0.00 66.02 63.24 2csf s SER 95 CO 0.19 0.24 1.57 0.77 1.20 0.00 0.00 173.24 177.21 2csf h SER 96 N 4.22 -0.01 0.00 5.45 4.64 -1.82 -3.36 113.55 122.67 2csf h SER 96 Ca -0.48 -0.17 0.00 0.00 -0.47 0.00 0.00 61.79 60.67 2csf h SER 96 Cb 1.16 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.26 2csf h SER 96 CO 0.52 0.17 0.00 0.61 -0.87 0.00 0.00 176.83 177.26 2csf n GLY 97 N -0.62 2.09 3.77 -0.77 0.00 -1.26 -4.94 105.19 103.45 2csf n GLY 97 Ca -0.08 -0.64 -0.39 0.00 0.00 0.00 0.00 46.02 44.91 2csf n GLY 97 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2csf s PRO 98 N -2.00 4.18 -0.24 1.61 0.04 -1.26 -5.02 135.00 132.30 2csf s PRO 98 Ca 0.00 1.95 -0.09 0.00 0.04 0.00 0.00 61.00 62.89 2csf s PRO 98 Cb 0.00 -2.83 -0.04 0.00 0.04 0.00 0.00 34.50 31.67 2csf s PRO 98 CO 0.00 -0.25 0.13 -1.54 0.04 0.00 0.00 177.00 175.39 2csf s SER 99 N -0.93 5.79 0.32 6.66 1.04 -1.26 -5.06 113.70 120.27 2csf s SER 99 Ca 0.54 0.01 -0.28 0.00 0.48 0.00 0.00 55.95 56.69 2csf s SER 99 Cb -0.34 -2.05 -0.13 0.00 0.10 0.00 0.00 66.02 63.61 2csf s SER 99 CO 0.43 0.03 1.24 -1.20 0.98 0.00 0.00 173.24 174.72 2csf n SER 100 N 4.50 2.47 -0.69 7.02 7.64 -1.26 -5.26 113.62 128.04 2csf n SER 100 Ca -0.15 1.20 0.09 0.00 1.01 0.00 0.00 58.87 61.01 2csf n SER 100 Cb 0.52 -1.44 0.07 0.00 -1.01 0.00 0.00 64.21 62.35 2csf n SER 100 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64