#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 -5.39 -3.93 1.61 2.88 -1.26 -5.00 113.62 102.53 2csf n SER 2 Ca 0.00 -0.57 -0.17 0.00 -1.33 0.00 0.00 58.87 56.79 2csf n SER 2 Cb 0.00 -4.98 -0.15 0.00 -0.75 0.00 0.00 64.21 58.33 2csf n SER 2 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 2csf s SER 3 N -3.54 0.72 1.21 -3.46 0.01 -1.26 -5.15 113.70 102.23 2csf s SER 3 Ca 0.47 -0.10 -0.20 0.00 1.31 0.00 0.00 55.95 57.43 2csf s SER 3 Cb -0.21 -0.20 0.29 0.00 0.21 0.00 0.00 66.02 66.11 2csf s SER 3 CO 0.74 0.02 1.11 -0.83 0.41 0.00 0.00 173.24 174.68 2csf s GLY 4 N 0.30 1.58 -0.06 3.44 0.00 -1.26 -5.07 107.32 106.26 2csf s GLY 4 Ca -0.03 -0.98 -0.01 0.00 0.00 0.00 0.00 44.72 43.70 2csf s GLY 4 CO -0.00 -0.08 0.02 -1.35 0.00 0.00 0.00 173.10 171.69 2csf s SER 5 N -3.92 1.34 -0.30 1.64 1.04 -1.26 -5.11 113.70 107.13 2csf s SER 5 Ca 0.71 -0.03 -0.16 0.00 0.48 0.00 0.00 55.95 56.95 2csf s SER 5 Cb -0.09 -0.33 0.17 0.00 0.10 0.00 0.00 66.02 65.87 2csf s SER 5 CO 0.56 -0.20 1.05 -0.94 0.98 0.00 0.00 173.24 174.69 2csf s SER 6 N 1.93 -0.46 -0.62 7.02 1.04 -1.26 -5.12 113.70 116.24 2csf s SER 6 Ca 0.03 0.65 -0.06 0.00 0.48 0.00 0.00 55.95 57.06 2csf s SER 6 Cb -0.12 1.45 0.16 0.00 0.10 0.00 0.00 66.02 67.60 2csf s SER 6 CO -0.04 -0.09 0.46 -0.83 0.98 0.00 0.00 173.24 173.71 2csf s GLY 7 N 2.09 2.41 0.14 7.32 0.00 -1.26 -5.07 107.32 112.96 2csf s GLY 7 Ca -0.04 -3.09 -0.31 0.00 0.00 0.00 0.00 44.72 41.29 2csf s GLY 7 CO -0.16 1.12 1.34 2.56 0.00 0.00 0.00 173.10 177.96 2csf s PRO 8 N 0.31 4.36 0.34 2.90 0.04 -1.26 -5.01 135.00 136.68 2csf s PRO 8 Ca 0.14 2.04 -0.26 0.00 0.04 0.00 0.00 61.00 62.97 2csf s PRO 8 Cb -0.20 -3.24 -0.10 0.00 0.04 0.00 0.00 34.50 31.01 2csf s PRO 8 CO -0.04 -0.35 0.99 0.42 0.04 0.00 0.00 177.00 178.06 2csf s ILE 9 N 0.72 4.02 0.72 0.56 1.01 -1.26 -5.06 121.20 121.90 2csf s ILE 9 Ca 0.61 1.67 -0.07 0.00 0.00 0.00 0.00 60.65 62.86 2csf s ILE 9 Cb -0.36 -3.92 0.06 0.00 0.01 0.00 0.00 42.46 38.25 2csf s ILE 9 CO 0.33 0.13 1.03 -0.54 0.00 0.00 0.00 174.94 175.89 2csf s LYS 10 N -2.11 2.16 -0.18 2.79 -0.14 -1.26 -5.11 119.74 115.88 2csf s LYS 10 Ca 0.52 -0.24 -0.27 0.00 -1.36 0.00 0.00 55.97 54.62 2csf s LYS 10 Cb -0.21 -2.15 0.07 0.00 -1.68 0.00 0.00 37.83 33.86 2csf s LYS 10 CO 0.26 -1.28 0.70 0.54 -0.76 0.00 0.00 175.35 174.81 2csf s VAL 11 N -3.28 0.00 0.35 3.17 0.11 -1.26 -5.15 120.40 114.34 2csf s VAL 11 Ca 0.60 -0.00 -0.29 0.00 -2.93 0.00 0.00 61.98 59.36 2csf s VAL 11 Cb -0.11 -0.99 -0.11 0.00 -1.53 0.00 0.00 36.38 33.64 2csf s VAL 11 CO 0.45 -0.00 1.53 -1.81 -3.33 0.00 0.00 175.10 171.94 2csf s ASP 12 N -0.26 6.34 0.70 3.54 1.01 -1.26 -4.72 116.67 122.02 2csf s ASP 12 Ca -0.05 3.02 0.00 0.00 0.71 0.00 0.00 52.55 56.24 2csf s ASP 12 Cb -0.03 -2.66 0.00 0.00 1.01 0.00 0.00 42.92 41.24 2csf s ASP 12 CO 0.05 -0.90 0.00 0.61 0.21 0.00 0.00 175.17 175.14 2csf n GLY 13 N 1.11 1.67 2.61 0.21 0.00 -1.26 -4.57 105.19 104.97 2csf n GLY 13 Ca 0.04 -0.48 -0.26 0.00 0.00 0.00 0.00 46.02 45.31 2csf n GLY 13 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2csf s ALA 14 N -1.70 0.48 0.53 4.61 0.00 -1.26 -5.15 121.76 119.27 2csf s ALA 14 Ca 0.00 -0.41 0.08 0.00 0.00 0.00 0.00 51.96 51.62 2csf s ALA 14 Cb 0.00 -1.08 0.05 0.00 0.00 0.00 0.00 23.12 22.09 2csf s ALA 14 CO 0.00 -1.23 0.58 0.54 0.00 0.00 0.00 175.76 175.66 2csf s ASN 15 N 2.12 4.99 -0.31 0.00 2.20 -1.26 -5.09 114.94 117.59 2csf s ASN 15 Ca 0.03 -0.93 -0.18 0.00 -0.94 0.00 0.00 52.86 50.84 2csf s ASN 15 Cb -0.16 0.13 -0.02 0.00 -2.00 0.00 0.00 41.25 39.20 2csf s ASN 15 CO -0.12 -1.11 0.51 -0.63 -2.94 0.00 0.00 177.10 172.80 2csf s ILE 16 N -2.65 5.04 -0.62 0.54 1.01 -1.26 -5.03 121.20 118.24 2csf s ILE 16 Ca 0.50 0.59 -0.21 0.00 0.00 0.00 0.00 60.65 61.52 2csf s ILE 16 Cb -0.05 -3.89 0.08 0.00 0.01 0.00 0.00 42.46 38.61 2csf s ILE 16 CO 0.31 -0.07 0.86 0.21 0.00 0.00 0.00 174.94 176.26 2csf s ASN 17 N 1.67 6.19 -0.09 3.58 2.47 -1.26 -5.02 114.94 122.48 2csf s ASN 17 Ca 0.20 -1.06 -0.29 0.00 0.42 0.00 0.00 52.86 52.13 2csf s ASN 17 Cb -0.15 -2.38 -0.02 0.00 -1.45 0.00 0.00 41.25 37.25 2csf s ASN 17 CO 0.11 -1.29 0.97 -0.63 -3.72 0.00 0.00 177.10 172.54 2csf s ILE 18 N 3.57 4.82 0.17 -5.21 -1.09 -1.26 -5.05 121.20 117.15 2csf s ILE 18 Ca 0.19 1.99 0.09 0.00 -2.23 0.00 0.00 60.65 60.70 2csf s ILE 18 Cb -0.19 -4.29 -0.04 0.00 -1.58 0.00 0.00 42.46 36.36 2csf s ILE 18 CO 0.10 0.05 -0.20 0.42 -1.23 0.00 0.00 174.94 174.08 2csf s THR 19 N 1.74 1.98 0.43 2.92 -4.23 -1.26 -4.72 115.64 112.51 2csf s THR 19 Ca 0.48 -1.91 0.24 0.00 -1.18 0.00 0.00 61.69 59.31 2csf s THR 19 Cb -0.19 -1.90 0.44 0.00 1.34 0.00 0.00 72.50 72.19 2csf s THR 19 CO 0.20 -0.22 1.74 0.00 -0.54 0.00 0.00 174.62 175.79 2csf h ALA 20 N 3.32 2.48 -1.14 3.99 0.00 -1.90 0.27 119.26 126.28 2csf h ALA 20 Ca -0.44 0.06 0.32 0.00 0.00 0.00 0.00 54.91 54.85 2csf h ALA 20 Cb 1.20 0.08 -0.09 0.00 0.00 0.00 0.00 17.79 18.98 2csf h ALA 20 CO 0.49 -0.94 0.76 0.00 0.00 0.00 0.00 179.25 179.56 2csf h ALA 21 N 1.58 2.57 -1.61 0.00 0.00 -1.98 0.62 119.26 120.43 2csf h ALA 21 Ca 0.65 0.04 0.49 0.00 0.00 0.00 0.00 54.91 56.10 2csf h ALA 21 Cb 1.88 0.08 -0.10 0.00 0.00 0.00 0.00 17.79 19.65 2csf h ALA 21 CO -0.28 -1.00 1.11 0.97 0.00 0.00 0.00 179.25 180.04 2csf h ILE 22 N 0.24 0.08 -0.07 0.00 2.10 -0.88 0.70 117.51 119.68 2csf h ILE 22 Ca 0.64 -0.01 -0.02 0.00 1.08 0.00 0.00 64.86 66.55 2csf h ILE 22 Cb 1.92 0.05 -0.00 0.00 -1.09 0.00 0.00 36.82 37.70 2csf h ILE 22 CO -0.25 0.01 -0.03 1.88 -1.08 0.00 0.00 178.15 178.68 2csf h TYR 23 N 0.03 0.17 -0.25 2.19 0.05 -1.08 -2.81 116.97 115.27 2csf h TYR 23 Ca 0.86 -0.04 0.01 0.00 0.05 0.00 0.00 58.73 59.61 2csf h TYR 23 Cb 3.12 -0.04 -0.02 0.00 1.01 0.00 0.00 36.73 40.80 2csf h TYR 23 CO -0.00 0.50 0.14 -0.44 -1.05 0.00 0.00 178.16 177.31 2csf h ASP 24 N -0.21 0.22 -0.92 3.88 3.32 0.22 -2.16 116.42 120.77 2csf h ASP 24 Ca 0.02 0.00 0.16 0.00 0.02 0.00 0.00 57.03 57.23 2csf h ASP 24 Cb 0.46 -0.04 -0.08 0.00 0.22 0.00 0.00 39.33 39.89 2csf h ASP 24 CO 0.01 0.17 0.59 -0.33 -1.72 0.00 0.00 179.24 177.95 2csf h GLU 25 N 0.29 0.68 -0.45 3.56 5.08 -1.35 -0.77 114.58 121.62 2csf h GLU 25 Ca 0.10 -0.04 -0.04 0.00 -1.00 0.00 0.00 59.36 58.38 2csf h GLU 25 Cb 0.00 -0.15 -0.02 0.00 0.50 0.00 0.00 28.75 29.08 2csf h GLU 25 CO -0.05 0.45 0.12 0.82 -1.00 0.00 0.00 179.01 179.35 2csf h ILE 26 N 0.70 1.23 0.25 3.13 2.04 -1.13 0.34 117.51 124.07 2csf h ILE 26 Ca 0.48 -0.78 -0.01 0.00 1.00 0.00 0.00 64.86 65.54 2csf h ILE 26 Cb 0.78 0.88 0.00 0.00 -0.74 0.00 0.00 36.82 37.74 2csf h ILE 26 CO -0.23 0.28 -0.12 1.56 0.00 0.00 0.00 178.15 179.64 2csf h GLN 27 N 0.59 -0.32 0.04 2.37 4.20 -0.82 -2.26 115.11 118.92 2csf h GLN 27 Ca 0.14 0.02 -0.00 0.00 0.06 0.00 0.00 58.65 58.87 2csf h GLN 27 Cb 0.30 0.07 0.00 0.00 0.30 0.00 0.00 27.48 28.15 2csf h GLN 27 CO -0.00 -0.21 -0.02 1.96 -0.67 0.00 0.00 178.83 179.89 2csf h GLN 28 N -0.34 -0.06 -1.25 1.46 4.20 -1.33 -2.84 115.11 114.96 2csf h GLN 28 Ca -0.03 0.00 0.36 0.00 0.06 0.00 0.00 58.65 59.04 2csf h GLN 28 Cb 0.26 0.01 -0.06 0.00 0.30 0.00 0.00 27.48 28.00 2csf h GLN 28 CO 0.06 0.26 0.89 1.49 -0.67 0.00 0.00 178.83 180.85 2csf h GLU 29 N -0.37 0.04 0.52 1.46 4.57 -0.29 0.33 114.58 120.85 2csf h GLU 29 Ca -0.01 -0.00 -0.03 0.00 -1.18 0.00 0.00 59.36 58.15 2csf h GLU 29 Cb 0.34 -0.01 0.01 0.00 -0.16 0.00 0.00 28.75 28.92 2csf h GLU 29 CO 0.01 0.03 -0.25 0.52 -1.18 0.00 0.00 179.01 178.14 2csf h MET 30 N 0.04 -0.68 -0.12 1.92 2.86 -1.16 0.28 114.93 118.08 2csf h MET 30 Ca 0.61 0.05 0.04 0.00 -2.06 0.00 0.00 59.70 58.33 2csf h MET 30 Cb 2.33 0.15 -0.00 0.00 0.06 0.00 0.00 31.60 34.14 2csf h MET 30 CO -0.05 -0.45 0.16 1.57 1.06 0.00 0.00 176.91 179.20 2csf h LYS 31 N -1.19 0.00 0.17 1.72 5.09 -1.11 1.12 116.57 122.38 2csf h LYS 31 Ca -0.07 0.00 -0.32 0.00 0.09 0.00 0.00 60.65 60.35 2csf h LYS 31 Cb 0.54 0.00 0.01 0.00 0.10 0.00 0.00 32.23 32.88 2csf h LYS 31 CO 0.12 0.00 -1.52 -0.09 -2.09 0.00 0.00 179.45 175.87 2csf h ARG 32 N 0.00 0.37 0.00 0.07 2.43 -0.95 -3.31 114.38 112.98 2csf h ARG 32 Ca 0.06 -0.62 0.00 0.00 -0.81 0.00 0.00 59.98 58.60 2csf h ARG 32 Cb 0.38 0.23 0.00 0.00 -0.42 0.00 0.00 29.97 30.16 2csf h ARG 32 CO -0.00 1.27 -0.55 0.00 -1.51 0.00 0.00 179.97 179.18 2csf n ALA 33 N -2.70 3.22 -2.94 2.80 0.00 0.08 -4.96 120.51 116.01 2csf n ALA 33 Ca -0.17 -0.30 -0.11 0.00 0.00 0.00 0.00 53.44 52.86 2csf n ALA 33 Cb 1.06 -1.15 0.05 0.00 0.00 0.00 0.00 19.45 19.41 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 -1.77 -3.98 -4.64 0.00 4.76 0.37 -4.97 118.16 107.93 2csf n LYS 34 Ca 0.04 0.46 -0.29 0.00 -2.87 0.00 0.00 58.31 55.65 2csf n LYS 34 Cb 0.38 -4.34 -0.09 0.00 -1.84 0.00 0.00 35.03 29.15 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 -3.19 1.20 0.18 -0.18 -7.23 -0.89 -4.99 120.40 105.31 2csf s VAL 35 Ca 0.16 -2.00 0.08 0.00 -1.81 0.00 0.00 61.98 58.41 2csf s VAL 35 Cb -0.07 -2.45 -0.04 0.00 0.56 0.00 0.00 36.38 34.38 2csf s VAL 35 CO 0.40 0.00 -0.03 -0.55 -0.31 0.00 0.00 175.10 174.61 2csf s SER 36 N -3.73 4.61 0.48 4.85 0.15 -1.26 -4.59 113.70 114.21 2csf s SER 36 Ca 0.19 -0.45 0.32 0.00 0.70 0.00 0.00 55.95 56.71 2csf s SER 36 Cb 0.04 -0.93 1.42 0.00 -1.71 0.00 0.00 66.02 64.85 2csf s SER 36 CO 0.10 0.09 1.73 1.56 1.20 0.00 0.00 173.24 177.92 2csf h GLN 37 N 2.75 0.13 -0.39 5.44 4.20 -1.97 0.63 115.11 125.90 2csf h GLN 37 Ca -0.47 -0.01 -0.13 0.00 0.06 0.00 0.00 58.65 58.10 2csf h GLN 37 Cb 1.20 -0.03 -0.01 0.00 0.30 0.00 0.00 27.48 28.95 2csf h GLN 37 CO 0.57 0.08 -0.27 0.00 -0.67 0.00 0.00 178.83 178.54 2csf h ALA 38 N 1.46 0.55 0.31 3.87 0.00 -1.93 -2.63 119.26 120.90 2csf h ALA 38 Ca 0.68 -0.40 -0.02 0.00 0.00 0.00 0.00 54.91 55.17 2csf h ALA 38 Cb 2.31 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 19.97 2csf h ALA 38 CO -0.18 0.57 -0.15 1.25 0.00 0.00 0.00 179.25 180.74 2csf h LEU 39 N 0.67 -0.35 -1.24 0.00 5.85 -0.18 -0.89 115.31 119.17 2csf h LEU 39 Ca 0.08 0.01 0.38 0.00 0.84 0.00 0.00 57.88 59.18 2csf h LEU 39 Cb 0.85 0.09 -0.13 0.00 0.37 0.00 0.00 40.66 41.84 2csf h LEU 39 CO 0.07 -0.05 0.71 0.15 -0.34 0.00 0.00 178.44 178.98 2csf h PHE 40 N -0.82 0.69 0.00 1.25 3.04 -1.26 1.80 116.94 121.64 2csf h PHE 40 Ca -0.04 0.03 -0.12 0.00 3.98 0.00 0.00 57.97 61.82 2csf h PHE 40 Cb 0.32 -0.18 -0.02 0.00 2.56 0.00 0.00 35.95 38.64 2csf h PHE 40 CO 0.03 -0.19 -0.57 0.00 -2.02 0.00 0.00 178.31 175.56 2csf h ALA 41 N 1.72 0.64 0.00 2.41 0.00 -1.50 0.24 119.26 122.76 2csf h ALA 41 Ca 0.76 -0.51 -0.19 0.00 0.00 0.00 0.00 54.91 54.97 2csf h ALA 41 Cb 2.12 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 19.80 2csf h ALA 41 CO -0.49 0.70 -0.97 -0.22 0.00 0.00 0.00 179.25 178.27 2csf h LYS 42 N 0.00 0.00 0.00 0.00 3.11 0.39 1.95 116.57 122.02 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 1.43 0.00 0.00 0.00 -1.00 0.00 0.00 32.23 32.66 2csf h LYS 42 CO 0.07 0.77 -1.11 1.33 -2.81 0.00 0.00 179.45 177.70 2csf n VAL 43 N -3.26 0.00 -0.07 2.00 0.24 0.17 -3.19 118.33 114.23 2csf n VAL 43 Ca -0.02 -0.07 -0.07 0.00 -2.04 0.00 0.00 64.34 62.14 2csf n VAL 43 Cb 0.89 0.87 -0.02 0.00 -1.47 0.00 0.00 33.84 34.11 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 -1.59 1.04 0.56 2.33 0.00 0.07 -4.76 120.51 118.17 2csf n ALA 44 Ca 0.03 -0.68 0.06 0.00 0.00 0.00 0.00 53.44 52.86 2csf n ALA 44 Cb 0.36 0.05 0.01 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 -4.17 2.91 -2.56 0.00 0.00 -0.58 -4.33 120.51 111.79 2csf n ALA 45 Ca -0.11 -0.50 -0.21 0.00 0.00 0.00 0.00 53.44 52.62 2csf n ALA 45 Cb 0.41 -0.44 0.00 0.00 0.00 0.00 0.00 19.45 19.42 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 -0.06 -5.86 -4.67 0.00 5.15 0.63 -4.93 115.26 105.53 2csf n ASN 46 Ca 0.06 -0.07 -0.21 0.00 -0.60 0.00 0.00 54.58 53.76 2csf n ASN 46 Cb 0.28 -4.85 0.04 0.00 -0.53 0.00 0.00 39.78 34.71 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 -3.25 0.68 -3.43 1.20 4.76 0.43 -4.84 118.16 113.70 2csf n LYS 47 Ca -0.21 -3.01 -0.35 0.00 -2.87 0.00 0.00 58.31 51.88 2csf n LYS 47 Cb 0.67 0.02 -0.06 0.00 -1.84 0.00 0.00 35.03 33.82 2csf n LYS 47 CO 0.00 0.00 0.00 -1.12 -1.37 0.00 0.00 177.40 174.91 2csf s SER 48 N -4.17 6.75 0.19 4.39 0.01 -1.26 -3.73 113.70 115.87 2csf s SER 48 Ca 0.44 0.97 -0.16 0.00 1.31 0.00 0.00 55.95 58.52 2csf s SER 48 Cb -0.04 -2.25 0.19 0.00 0.21 0.00 0.00 66.02 64.14 2csf s SER 48 CO 0.28 0.10 1.31 1.67 0.41 0.00 0.00 173.24 177.02 2csf n GLN 49 N 0.72 -0.21 -0.33 12.44 7.27 -1.26 0.13 117.38 136.15 2csf n GLN 49 Ca -0.05 1.30 0.25 0.00 0.07 0.00 0.00 57.00 58.56 2csf n GLN 49 Cb 0.52 -1.93 0.48 0.00 2.41 0.00 0.00 30.24 31.72 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 2.04 1.83 1.69 0.00 -1.93 1.24 103.07 107.94 2csf h GLY 50 Ca 0.28 -0.19 -0.11 0.00 0.00 0.00 0.00 47.33 47.32 2csf h GLY 50 CO -0.84 -0.56 -0.42 -0.25 0.00 0.00 0.00 176.54 174.47 2csf h TRP 51 N 0.23 0.22 0.00 5.60 7.01 0.76 -2.81 115.95 126.96 2csf h TRP 51 Ca 0.74 -0.06 -0.00 0.00 2.11 0.00 0.00 58.89 61.68 2csf h TRP 51 Cb 1.76 -0.05 -0.00 0.00 -2.10 0.00 0.00 29.16 28.77 2csf h TRP 51 CO -0.04 0.59 -0.08 1.25 -2.79 0.00 0.00 178.44 177.36 2csf h LEU 52 N 0.16 0.00 -0.91 0.65 7.12 0.16 -3.23 115.31 119.26 2csf h LEU 52 Ca 0.01 -0.09 0.20 0.00 0.13 0.00 0.00 57.88 58.14 2csf h LEU 52 Cb 0.82 0.00 -0.17 0.00 -0.53 0.00 0.00 40.66 40.78 2csf h LEU 52 CO 0.06 0.59 -0.12 0.00 -0.13 0.00 0.00 178.44 178.84 2csf h GLU 54 N 0.02 -0.34 -1.03 0.00 5.08 -1.65 -0.94 114.58 115.72 2csf h GLU 54 Ca 0.48 0.02 0.35 0.00 -1.00 0.00 0.00 59.36 59.21 2csf h GLU 54 Cb 0.83 0.08 -0.15 0.00 0.50 0.00 0.00 28.75 30.00 2csf h GLU 54 CO -0.89 -0.23 0.59 -0.07 -1.00 0.00 0.00 179.01 177.42 2csf h LEU 55 N -0.35 0.45 -0.01 1.33 4.07 -0.75 1.76 115.31 121.81 2csf h LEU 55 Ca 0.05 0.20 -0.09 0.00 0.08 0.00 0.00 57.88 58.11 2csf h LEU 55 Cb 0.40 0.16 -0.01 0.00 1.08 0.00 0.00 40.66 42.29 2csf h LEU 55 CO -0.16 -0.19 -0.42 -0.07 -1.08 0.00 0.00 178.44 176.52 2csf h LEU 56 N 0.24 0.00 0.07 1.67 3.38 -1.01 0.73 115.31 120.39 2csf h LEU 56 Ca 0.76 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.73 2csf h LEU 56 Cb 1.87 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.62 2csf h LEU 56 CO -0.61 0.42 -0.03 -0.09 0.09 0.00 0.00 178.44 178.22 2csf h ARG 57 N 0.00 -0.09 0.09 1.13 2.43 0.37 -3.38 114.38 114.93 2csf h ARG 57 Ca -0.00 0.01 -0.23 0.00 -0.81 0.00 0.00 59.98 58.94 2csf h ARG 57 Cb 1.32 0.02 0.02 0.00 -0.42 0.00 0.00 29.97 30.91 2csf h ARG 57 CO 0.06 0.17 -0.97 -1.49 -1.51 0.00 0.00 179.97 176.23 2csf h TRP 58 N -1.00 0.81 -6.16 2.20 4.06 -0.48 -3.48 115.95 111.90 2csf h TRP 58 Ca -0.01 -0.50 -0.45 0.00 2.06 0.00 0.00 58.89 59.99 2csf h TRP 58 Cb 0.30 -0.07 0.02 0.00 -1.00 0.00 0.00 29.16 28.41 2csf h TRP 58 CO 0.06 1.35 -0.73 1.63 -3.56 0.00 0.00 178.44 177.19 2csf n LYS 59 N -3.99 -6.31 -1.49 0.49 5.02 0.25 -4.88 118.16 107.24 2csf n LYS 59 Ca -0.13 0.67 -0.40 0.00 -2.02 0.00 0.00 58.31 56.44 2csf n LYS 59 Cb 0.86 -5.62 0.03 0.00 -0.02 0.00 0.00 35.03 30.28 2csf n LYS 59 CO 0.00 0.00 0.00 -1.91 -0.52 0.00 0.00 177.40 174.97 2csf n GLU 60 N -4.79 0.68 -2.11 1.97 0.00 -1.26 -4.84 120.64 110.29 2csf n GLU 60 Ca 0.03 0.26 -0.43 0.00 0.00 0.00 0.00 57.16 57.02 2csf n GLU 60 Cb 0.54 -1.72 -0.03 0.00 0.00 0.00 0.00 31.44 30.23 2csf n GLU 60 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.13 178.34 2csf s ASN 61 N -1.04 6.56 0.36 4.31 2.47 -1.26 -4.89 114.94 121.44 2csf s ASN 61 Ca 0.67 1.85 -0.27 0.00 0.42 0.00 0.00 52.86 55.53 2csf s ASN 61 Cb -0.51 -2.53 -0.09 0.00 -1.45 0.00 0.00 41.25 36.67 2csf s ASN 61 CO 0.55 -1.07 1.21 -2.16 -3.72 0.00 0.00 177.10 171.91 2csf s PRO 62 N 4.29 4.24 0.09 0.43 0.04 -1.26 -5.04 135.00 137.80 2csf s PRO 62 Ca 0.70 1.97 -0.24 0.00 0.04 0.00 0.00 61.00 63.47 2csf s PRO 62 Cb -0.28 -2.89 0.07 0.00 0.04 0.00 0.00 34.50 31.44 2csf s PRO 62 CO 0.27 -0.20 0.60 -1.12 0.04 0.00 0.00 177.00 176.59 2csf s SER 63 N -0.87 -0.55 0.00 6.66 0.01 -1.26 -4.86 113.70 112.83 2csf s SER 63 Ca 0.52 0.17 0.16 0.00 1.31 0.00 0.00 55.95 58.11 2csf s SER 63 Cb -0.34 0.56 0.92 0.00 0.21 0.00 0.00 66.02 67.38 2csf s SER 63 CO 0.44 -0.85 1.35 -0.81 0.41 0.00 0.00 173.24 173.78 2csf n PRO 64 N 0.03 0.48 0.01 12.44 -0.04 -1.26 -2.74 135.00 143.92 2csf n PRO 64 Ca -0.18 0.01 -0.22 0.00 -0.04 0.00 0.00 63.50 63.07 2csf n PRO 64 Cb 0.62 -1.50 -0.14 0.00 -0.04 0.00 0.00 33.50 32.44 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 -6.63 0.54 4.39 -1.99 -3.44 114.58 107.71 2csf h GLU 65 Ca 0.00 -0.46 -0.56 0.00 0.34 0.00 0.00 59.36 58.67 2csf h GLU 65 Cb 0.01 0.17 -0.06 0.00 -0.10 0.00 0.00 28.75 28.77 2csf h GLU 65 CO 0.00 1.22 1.00 1.21 -1.16 0.00 0.00 179.01 181.28 2csf s ASN 66 N -7.09 6.49 -0.00 1.42 3.84 -1.11 -4.93 114.94 113.56 2csf s ASN 66 Ca -0.21 0.63 -0.03 0.00 0.21 0.00 0.00 52.86 53.46 2csf s ASN 66 Cb 0.06 -2.55 -0.01 0.00 -0.55 0.00 0.00 41.25 38.19 2csf s ASN 66 CO 0.77 -1.35 0.52 0.03 -2.79 0.00 0.00 177.10 174.29 2csf h ARG 67 N 9.94 -0.09 -1.47 0.43 2.47 -1.86 0.82 114.38 124.61 2csf h ARG 67 Ca -0.25 0.01 0.43 0.00 -1.26 0.00 0.00 59.98 58.91 2csf h ARG 67 Cb 1.08 0.02 -0.08 0.00 -1.65 0.00 0.00 29.97 29.34 2csf h ARG 67 CO 1.11 -0.06 1.03 1.15 0.56 0.00 0.00 179.97 183.76 2csf h THR 68 N -0.17 0.22 0.00 2.04 2.02 -1.99 0.48 112.91 115.51 2csf h THR 68 Ca -0.01 -0.02 0.00 0.00 0.77 0.00 0.00 66.41 67.15 2csf h THR 68 Cb 0.07 0.16 0.00 0.00 -1.74 0.00 0.00 68.15 66.65 2csf h THR 68 CO 0.02 0.01 -0.09 0.25 0.37 0.00 0.00 175.52 176.08 2csf h LEU 69 N 0.05 0.00 -0.77 2.58 5.85 -1.95 -3.31 115.31 117.77 2csf h LEU 69 Ca 0.75 0.00 0.16 0.00 0.84 0.00 0.00 57.88 59.63 2csf h LEU 69 Cb 2.77 0.00 -0.15 0.00 0.37 0.00 0.00 40.66 43.66 2csf h LEU 69 CO -0.12 0.16 -0.17 -0.25 -0.34 0.00 0.00 178.44 177.72 2csf h TRP 70 N -0.23 -0.37 -0.02 1.25 2.91 0.11 0.18 115.95 119.78 2csf h TRP 70 Ca 0.00 0.07 0.00 0.00 1.13 0.00 0.00 58.89 60.09 2csf h TRP 70 Cb 0.09 0.29 -0.01 0.00 -0.51 0.00 0.00 29.16 29.01 2csf h TRP 70 CO -0.04 -0.33 -0.09 0.93 -1.03 0.00 0.00 178.44 177.88 2csf h GLU 71 N 0.01 -0.10 -0.12 2.65 5.08 -0.18 0.41 114.58 122.33 2csf h GLU 71 Ca 0.38 0.01 0.05 0.00 -1.00 0.00 0.00 59.36 58.79 2csf h GLU 71 Cb 0.59 0.02 -0.06 0.00 0.50 0.00 0.00 28.75 29.80 2csf h GLU 71 CO -0.79 -0.07 -0.28 -0.91 -1.00 0.00 0.00 179.01 175.97 2csf h ASN 72 N -0.10 -0.86 -0.01 1.42 2.35 -1.49 0.19 115.58 117.08 2csf h ASN 72 Ca 0.00 0.13 0.00 0.00 -0.55 0.00 0.00 56.30 55.89 2csf h ASN 72 Cb 0.12 0.37 -0.00 0.00 0.05 0.00 0.00 38.32 38.86 2csf h ASN 72 CO -0.07 -0.33 0.26 -0.07 -1.65 0.00 0.00 177.43 175.57 2csf h LEU 73 N -0.36 0.00 0.05 1.61 3.38 -0.43 -1.18 115.31 118.38 2csf h LEU 73 Ca 0.10 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.06 2csf h LEU 73 Cb 0.50 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.25 2csf h LEU 73 CO -0.32 0.00 -0.02 0.00 0.09 0.00 0.00 178.44 178.19 2csf h THR 75 N -0.66 1.25 -0.12 0.00 1.03 -1.00 -2.60 112.91 110.81 2csf h THR 75 Ca -0.01 -0.89 -0.03 0.00 -0.01 0.00 0.00 66.41 65.48 2csf h THR 75 Cb 0.58 0.77 -0.01 0.00 -1.07 0.00 0.00 68.15 68.41 2csf h THR 75 CO 0.01 0.33 -0.05 0.40 -0.01 0.00 0.00 175.52 176.20 2csf h ILE 76 N 0.79 1.11 -0.48 0.00 2.04 -1.47 -2.40 117.51 117.09 2csf h ILE 76 Ca 0.17 -0.46 -0.07 0.00 1.00 0.00 0.00 64.86 65.51 2csf h ILE 76 Cb 0.35 1.08 -0.02 0.00 -0.74 0.00 0.00 36.82 37.49 2csf h ILE 76 CO 0.00 0.15 0.03 -0.09 0.00 0.00 0.00 178.15 178.24 2csf h ARG 77 N 0.17 0.83 -0.11 2.37 9.65 -1.04 -2.77 114.38 123.47 2csf h ARG 77 Ca 0.04 -0.25 -0.08 0.00 -1.10 0.00 0.00 59.98 58.59 2csf h ARG 77 Cb 0.20 -0.08 -0.01 0.00 -1.39 0.00 0.00 29.97 28.69 2csf h ARG 77 CO 0.01 0.86 -0.28 0.00 2.80 0.00 0.00 179.97 183.36 2csf h ARG 78 N 0.69 0.21 0.04 0.20 3.08 -1.27 -2.78 114.38 114.55 2csf h ARG 78 Ca 0.14 -0.07 -0.00 0.00 0.07 0.00 0.00 59.98 60.12 2csf h ARG 78 Cb 0.47 -0.02 0.00 0.00 0.08 0.00 0.00 29.97 30.50 2csf h ARG 78 CO 0.02 0.48 -0.02 0.35 -1.07 0.00 0.00 179.97 179.72 2csf h PHE 79 N 0.19 -0.05 0.00 3.04 3.04 -1.19 -2.58 116.94 119.38 2csf h PHE 79 Ca 0.03 -0.00 -0.02 0.00 3.98 0.00 0.00 57.97 61.96 2csf h PHE 79 Cb 0.59 0.02 -0.00 0.00 2.56 0.00 0.00 35.95 39.12 2csf h PHE 79 CO 0.01 0.08 -0.09 -0.07 -2.02 0.00 0.00 178.31 176.21 2csf h LEU 80 N -0.17 0.00 -0.89 0.59 3.38 -1.41 -0.77 115.31 116.04 2csf h LEU 80 Ca -0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.96 2csf h LEU 80 Cb 0.15 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.90 2csf h LEU 80 CO 0.01 0.09 0.00 0.59 0.09 0.00 0.00 178.44 179.22 2csf n ASN 81 N -4.35 0.50 -4.80 -0.43 3.02 -0.98 -4.71 115.26 103.50 2csf n ASN 81 Ca -0.03 0.68 -0.33 0.00 -0.03 0.00 0.00 54.58 54.87 2csf n ASN 81 Cb 0.17 -0.76 -0.01 0.00 -0.61 0.00 0.00 39.78 38.57 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 -4.21 3.67 0.51 3.41 1.43 -0.30 -5.02 118.68 118.17 2csf s LEU 82 Ca 0.01 1.85 -0.21 0.00 -1.03 0.00 0.00 54.13 54.76 2csf s LEU 82 Cb 0.07 -4.54 -0.06 0.00 0.03 0.00 0.00 46.19 41.68 2csf s LEU 82 CO 0.25 -0.95 1.14 -2.16 0.23 0.00 0.00 176.35 174.86 2csf s PRO 83 N -3.69 3.50 0.28 1.29 0.04 -1.26 -4.71 135.00 130.45 2csf s PRO 83 Ca 0.65 1.67 0.01 0.00 0.04 0.00 0.00 61.00 63.36 2csf s PRO 83 Cb -0.16 -2.15 0.67 0.00 0.04 0.00 0.00 34.50 32.90 2csf s PRO 83 CO 0.29 -0.74 1.65 0.37 0.04 0.00 0.00 177.00 178.61 2csf h GLN 84 N 1.50 0.21 -0.05 4.56 5.75 -1.95 1.01 115.11 126.15 2csf h GLN 84 Ca -0.50 -0.01 0.01 0.00 -0.15 0.00 0.00 58.65 58.00 2csf h GLN 84 Cb 1.26 -0.05 -0.00 0.00 1.07 0.00 0.00 27.48 29.76 2csf h GLN 84 CO 0.58 0.14 0.04 1.12 -2.65 0.00 0.00 178.83 178.06 2csf h HIS 85 N 0.22 0.00 0.02 3.99 2.07 -2.00 -1.89 115.15 117.56 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 1.04 0.00 0.00 0.00 2.57 0.00 0.00 27.41 31.02 2csf h HIS 85 CO -0.27 0.00 -0.01 0.93 -3.07 0.00 0.00 177.93 175.51 2csf h GLU 86 N 0.00 -0.02 -0.97 5.12 4.39 0.68 -3.15 114.58 120.63 2csf h GLU 86 Ca 0.02 0.00 0.31 0.00 0.34 0.00 0.00 59.36 60.03 2csf h GLU 86 Cb 0.10 0.01 -0.17 0.00 -0.10 0.00 0.00 28.75 28.58 2csf h GLU 86 CO -0.00 -0.02 0.21 0.00 -1.16 0.00 0.00 179.01 178.04 2csf h ARG 87 N -0.27 0.05 -0.62 2.33 3.08 -1.25 0.82 114.38 118.52 2csf h ARG 87 Ca -0.00 -0.00 0.04 0.00 0.07 0.00 0.00 59.98 60.08 2csf h ARG 87 Cb 0.02 -0.01 -0.04 0.00 0.08 0.00 0.00 29.97 30.01 2csf h ARG 87 CO 0.00 0.03 0.36 0.22 -1.07 0.00 0.00 179.97 179.52 2csf h ASP 88 N 0.05 0.57 -0.28 7.04 3.58 -1.48 -2.03 116.42 123.86 2csf h ASP 88 Ca 0.66 0.01 0.00 0.00 0.42 0.00 0.00 57.03 58.13 2csf h ASP 88 Cb 1.49 -0.10 -0.01 0.00 1.72 0.00 0.00 39.33 42.42 2csf h ASP 88 CO -0.83 0.39 0.18 0.58 -2.88 0.00 0.00 179.24 176.68 2csf h VAL 89 N 0.70 1.08 -0.29 2.25 2.07 0.68 0.21 116.25 122.95 2csf h VAL 89 Ca 0.26 -0.17 0.05 0.00 0.82 0.00 0.00 66.70 67.67 2csf h VAL 89 Cb 0.09 0.69 -0.05 0.00 -1.52 0.00 0.00 31.29 30.50 2csf h VAL 89 CO -0.13 0.08 -0.00 0.40 0.02 0.00 0.00 177.57 177.93 2csf h ILE 90 N 0.37 0.78 -0.39 4.57 2.04 -0.95 0.96 117.51 124.90 2csf h ILE 90 Ca 0.10 -0.03 -0.03 0.00 1.00 0.00 0.00 64.86 65.90 2csf h ILE 90 Cb -0.03 0.69 -0.02 0.00 -0.74 0.00 0.00 36.82 36.73 2csf h ILE 90 CO -0.02 0.01 0.12 1.88 0.00 0.00 0.00 178.15 180.14 2csf h TYR 91 N 0.08 0.62 0.44 1.37 0.05 -1.17 -0.84 116.97 117.53 2csf h TYR 91 Ca 0.14 -0.06 -0.01 0.00 0.05 0.00 0.00 58.73 58.85 2csf h TYR 91 Cb 0.19 -0.18 -0.01 0.00 1.01 0.00 0.00 36.73 37.74 2csf h TYR 91 CO -0.22 0.59 -0.31 0.93 -1.05 0.00 0.00 178.16 178.09 2csf h GLU 92 N 0.48 -0.71 -0.97 4.88 5.08 -0.49 0.37 114.58 123.21 2csf h GLU 92 Ca 0.12 0.05 0.05 0.00 -1.00 0.00 0.00 59.36 58.59 2csf h GLU 92 Cb 0.26 0.16 -0.06 0.00 0.50 0.00 0.00 28.75 29.61 2csf h GLU 92 CO -0.00 -0.47 0.63 0.93 -1.00 0.00 0.00 179.01 179.09 2csf h GLU 93 N -0.74 1.14 0.19 2.33 4.39 -0.80 -3.18 114.58 117.90 2csf h GLU 93 Ca -0.04 -0.07 -0.01 0.00 0.34 0.00 0.00 59.36 59.58 2csf h GLU 93 Cb 0.62 -0.26 0.00 0.00 -0.10 0.00 0.00 28.75 29.02 2csf h GLU 93 CO 0.02 0.75 -0.09 1.49 -1.16 0.00 0.00 179.01 180.02 2csf h GLU 94 N 1.17 -0.25 -4.44 2.33 4.57 -0.81 -3.44 114.58 113.72 2csf h GLU 94 Ca 0.41 0.02 -0.57 0.00 -1.18 0.00 0.00 59.36 58.03 2csf h GLU 94 Cb 0.10 0.06 -0.37 0.00 -0.16 0.00 0.00 28.75 28.38 2csf h GLU 94 CO -0.15 -0.16 -0.81 0.45 -1.18 0.00 0.00 179.01 177.15 2csf s SER 95 N -2.96 2.65 -0.42 1.04 0.15 0.13 -5.09 113.70 109.20 2csf s SER 95 Ca -0.04 -0.51 -0.29 0.00 0.70 0.00 0.00 55.95 55.81 2csf s SER 95 Cb 0.00 -1.04 0.02 0.00 -1.71 0.00 0.00 66.02 63.29 2csf s SER 95 CO 0.11 -0.11 1.16 -0.55 1.20 0.00 0.00 173.24 175.05 2csf s SER 96 N 1.56 6.68 -0.08 5.45 0.15 -1.22 -4.19 113.70 122.05 2csf s SER 96 Ca 0.04 0.68 -0.06 0.00 0.70 0.00 0.00 55.95 57.31 2csf s SER 96 Cb -0.14 -2.55 -0.04 0.00 -1.71 0.00 0.00 66.02 61.59 2csf s SER 96 CO -0.09 -1.17 0.15 -0.83 1.20 0.00 0.00 173.24 172.50 2csf s GLY 97 N 2.42 2.16 0.99 9.45 0.00 -1.26 -5.10 107.32 115.98 2csf s GLY 97 Ca 0.49 -0.68 -0.12 0.00 0.00 0.00 0.00 44.72 44.40 2csf s GLY 97 CO 0.27 -0.47 1.09 2.56 0.00 0.00 0.00 173.10 176.56 2csf s PRO 98 N -1.31 0.53 0.03 2.90 0.04 -1.26 -5.08 135.00 130.84 2csf s PRO 98 Ca 0.19 0.57 0.01 0.00 0.04 0.00 0.00 61.00 61.81 2csf s PRO 98 Cb -0.12 -1.74 -0.02 0.00 0.04 0.00 0.00 34.50 32.66 2csf s PRO 98 CO 0.09 -2.68 -0.06 -1.12 0.04 0.00 0.00 177.00 173.27 2csf s SER 99 N -3.44 0.62 1.13 6.66 0.01 -1.26 -5.15 113.70 112.26 2csf s SER 99 Ca 0.65 -0.41 -0.17 0.00 1.31 0.00 0.00 55.95 57.33 2csf s SER 99 Cb -0.19 0.03 0.20 0.00 0.21 0.00 0.00 66.02 66.27 2csf s SER 99 CO 0.58 -0.16 0.37 -1.54 0.41 0.00 0.00 173.24 172.89 2csf n SER 100 N 1.89 -3.03 0.00 2.44 3.41 -1.26 -5.37 113.62 111.70 2csf n SER 100 Ca -0.20 -0.41 0.00 0.00 -0.26 0.00 0.00 58.87 58.00 2csf n SER 100 Cb 0.56 -0.87 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