#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 -4.26 -0.14 1.61 7.64 -1.26 -4.92 113.62 112.29 2csf n SER 2 Ca 0.00 -0.65 -0.26 0.00 1.01 0.00 0.00 58.87 58.97 2csf n SER 2 Cb 0.00 -4.68 -0.11 0.00 -1.01 0.00 0.00 64.21 58.41 2csf n SER 2 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 2csf n SER 3 N -3.01 1.97 0.00 6.43 3.41 -1.26 -5.12 113.62 116.03 2csf n SER 3 Ca -0.10 0.20 0.00 0.00 -0.26 0.00 0.00 58.87 58.71 2csf n SER 3 Cb 0.60 -0.71 0.00 0.00 -0.26 0.00 0.00 64.21 63.84 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 1.54 -2.11 3.33 5.00 0.00 -1.26 -5.00 105.19 106.69 2csf n GLY 4 Ca -0.52 -1.77 -0.19 0.00 0.00 0.00 0.00 46.02 43.54 2csf n GLY 4 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2csf n SER 5 N 0.34 -4.44 -4.16 1.61 2.88 -1.26 -5.01 113.62 103.58 2csf n SER 5 Ca 0.00 -0.52 -0.32 0.00 -1.33 0.00 0.00 58.87 56.70 2csf n SER 5 Cb 0.00 -4.66 -0.16 0.00 -0.75 0.00 0.00 64.21 58.64 2csf n SER 5 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 2csf s SER 6 N -3.66 3.07 0.00 -3.46 1.04 -1.26 -5.04 113.70 104.38 2csf s SER 6 Ca 0.33 -0.60 0.00 0.00 0.48 0.00 0.00 55.95 56.16 2csf s SER 6 Cb -0.14 -1.42 0.00 0.00 0.10 0.00 0.00 66.02 64.55 2csf s SER 6 CO 0.66 0.07 0.00 0.61 0.98 0.00 0.00 173.24 175.57 2csf n GLY 7 N 4.11 2.58 3.58 7.32 0.00 -1.26 -5.09 105.19 116.43 2csf n GLY 7 Ca -0.20 -1.67 -0.30 0.00 0.00 0.00 0.00 46.02 43.85 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 -4.39 -1.39 0.09 1.61 0.04 -1.26 -5.02 135.00 124.69 2csf s PRO 8 Ca 0.00 -0.12 -0.22 0.00 0.04 0.00 0.00 61.00 60.69 2csf s PRO 8 Cb 0.00 -1.58 -0.07 0.00 0.04 0.00 0.00 34.50 32.89 2csf s PRO 8 CO 0.00 -3.81 0.67 0.42 0.04 0.00 0.00 177.00 174.32 2csf s ILE 9 N -3.01 4.64 -0.08 0.56 1.01 -1.26 -5.06 121.20 118.00 2csf s ILE 9 Ca 0.71 1.45 -0.30 0.00 0.00 0.00 0.00 60.65 62.51 2csf s ILE 9 Cb -0.09 -4.02 0.07 0.00 0.01 0.00 0.00 42.46 38.44 2csf s ILE 9 CO 0.56 0.49 0.68 -1.59 0.00 0.00 0.00 174.94 175.09 2csf s LYS 10 N -0.82 1.03 -0.27 2.79 0.00 -1.26 -5.18 119.74 116.04 2csf s LYS 10 Ca 0.33 0.35 -0.26 0.00 0.00 0.00 0.00 55.97 56.39 2csf s LYS 10 Cb -0.21 0.49 0.15 0.00 0.00 0.00 0.00 37.83 38.26 2csf s LYS 10 CO 0.22 -0.30 1.19 0.54 0.00 0.00 0.00 175.35 176.99 2csf s VAL 11 N -0.99 0.00 -0.23 1.79 0.11 -1.26 -5.18 120.40 114.64 2csf s VAL 11 Ca -0.10 0.00 -0.29 0.00 -2.93 0.00 0.00 61.98 58.66 2csf s VAL 11 Cb -0.01 -1.00 0.16 0.00 -1.53 0.00 0.00 36.38 34.01 2csf s VAL 11 CO 0.09 0.00 1.20 -0.62 -3.33 0.00 0.00 175.10 172.44 2csf s ASP 12 N -0.09 -0.19 0.00 3.54 -1.08 -1.26 -5.14 116.67 112.46 2csf s ASP 12 Ca 0.04 0.21 0.00 0.00 -0.52 0.00 0.00 52.55 52.28 2csf s ASP 12 Cb -0.04 0.16 0.00 0.00 -1.46 0.00 0.00 42.92 41.57 2csf s ASP 12 CO -0.09 -0.17 0.00 0.61 0.52 0.00 0.00 175.17 176.05 2csf n GLY 13 N 0.64 -1.49 0.07 2.66 0.00 -1.26 -5.08 105.19 100.72 2csf n GLY 13 Ca -0.05 0.97 -0.05 0.00 0.00 0.00 0.00 46.02 46.89 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 0.51 -2.11 4.61 0.00 -1.26 -5.01 120.51 117.25 2csf n ALA 14 Ca 0.00 -0.48 -0.19 0.00 0.00 0.00 0.00 53.44 52.76 2csf n ALA 14 Cb 0.00 0.02 -0.00 0.00 0.00 0.00 0.00 19.45 19.46 2csf n ALA 14 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.50 176.70 2csf s ASN 15 N -5.65 5.33 0.07 0.00 -0.87 -1.26 -5.07 114.94 107.49 2csf s ASN 15 Ca -0.17 -0.62 -0.31 0.00 -1.57 0.00 0.00 52.86 50.20 2csf s ASN 15 Cb 0.02 -0.50 -0.07 0.00 -0.02 0.00 0.00 41.25 40.69 2csf s ASN 15 CO 0.25 -0.78 1.33 -0.63 -2.57 0.00 0.00 177.10 174.70 2csf s ILE 16 N -2.44 3.63 -0.46 0.60 1.01 -1.26 -4.99 121.20 117.28 2csf s ILE 16 Ca 0.52 1.14 -0.12 0.00 0.00 0.00 0.00 60.65 62.19 2csf s ILE 16 Cb -0.07 -3.73 0.09 0.00 0.01 0.00 0.00 42.46 38.77 2csf s ILE 16 CO 0.31 0.07 0.36 0.21 0.00 0.00 0.00 174.94 175.88 2csf s ASN 17 N 1.28 5.89 0.24 3.58 2.47 -1.26 -5.07 114.94 122.06 2csf s ASN 17 Ca 0.62 -1.58 -0.26 0.00 0.42 0.00 0.00 52.86 52.06 2csf s ASN 17 Cb -0.33 -2.09 -0.09 0.00 -1.45 0.00 0.00 41.25 37.30 2csf s ASN 17 CO 0.29 -0.65 0.86 -0.63 -3.72 0.00 0.00 177.10 173.24 2csf s ILE 18 N 1.50 4.28 0.04 -5.21 -1.09 -1.26 -5.07 121.20 114.39 2csf s ILE 18 Ca 0.04 1.77 -0.03 0.00 -2.23 0.00 0.00 60.65 60.19 2csf s ILE 18 Cb -0.25 -4.11 -0.02 0.00 -1.58 0.00 0.00 42.46 36.50 2csf s ILE 18 CO 0.03 0.36 0.04 0.42 -1.23 0.00 0.00 174.94 174.56 2csf s THR 19 N -1.35 0.15 0.40 2.92 -4.23 -1.26 -4.79 115.64 107.47 2csf s THR 19 Ca 0.42 -1.21 0.22 0.00 -1.18 0.00 0.00 61.69 59.95 2csf s THR 19 Cb -0.22 -0.87 0.41 0.00 1.34 0.00 0.00 72.50 73.17 2csf s THR 19 CO 0.26 -0.66 1.68 0.00 -0.54 0.00 0.00 174.62 175.35 2csf h ALA 20 N 3.80 2.37 -1.05 3.99 0.00 -1.88 0.34 119.26 126.82 2csf h ALA 20 Ca -0.33 0.12 0.31 0.00 0.00 0.00 0.00 54.91 55.02 2csf h ALA 20 Cb 1.18 0.14 -0.13 0.00 0.00 0.00 0.00 17.79 18.98 2csf h ALA 20 CO 0.51 -0.93 0.63 0.00 0.00 0.00 0.00 179.25 179.47 2csf h ALA 21 N 1.68 2.08 -1.96 0.00 0.00 -1.97 0.17 119.26 119.26 2csf h ALA 21 Ca 0.73 0.14 0.57 0.00 0.00 0.00 0.00 54.91 56.35 2csf h ALA 21 Cb 2.01 0.11 -0.08 0.00 0.00 0.00 0.00 17.79 19.83 2csf h ALA 21 CO -0.44 -0.63 1.42 0.97 0.00 0.00 0.00 179.25 180.56 2csf h ILE 22 N 0.36 0.02 -0.09 0.00 2.10 -0.73 1.00 117.51 120.16 2csf h ILE 22 Ca 0.70 0.00 -0.04 0.00 1.08 0.00 0.00 64.86 66.60 2csf h ILE 22 Cb 1.68 0.02 -0.00 0.00 -1.09 0.00 0.00 36.82 37.42 2csf h ILE 22 CO -0.49 0.00 -0.12 1.88 -1.08 0.00 0.00 178.15 178.34 2csf h TYR 23 N 0.00 0.29 -0.41 2.19 0.05 -0.86 -2.81 116.97 115.42 2csf h TYR 23 Ca 0.93 -0.09 0.01 0.00 0.05 0.00 0.00 58.73 59.63 2csf h TYR 23 Cb 3.76 -0.06 -0.02 0.00 1.01 0.00 0.00 36.73 41.42 2csf h TYR 23 CO 0.00 0.70 0.26 -0.44 -1.05 0.00 0.00 178.16 177.63 2csf h ASP 24 N -0.20 0.45 -0.96 3.88 3.32 0.86 -2.29 116.42 121.49 2csf h ASP 24 Ca 0.01 -0.01 0.09 0.00 0.02 0.00 0.00 57.03 57.14 2csf h ASP 24 Cb 0.66 -0.11 -0.07 0.00 0.22 0.00 0.00 39.33 40.04 2csf h ASP 24 CO 0.03 0.32 0.62 -0.33 -1.72 0.00 0.00 179.24 178.16 2csf h GLU 25 N 0.53 1.00 -0.58 3.56 5.08 -1.43 -1.07 114.58 121.67 2csf h GLU 25 Ca 0.15 -0.06 -0.05 0.00 -1.00 0.00 0.00 59.36 58.40 2csf h GLU 25 Cb -0.04 -0.23 -0.03 0.00 0.50 0.00 0.00 28.75 28.95 2csf h GLU 25 CO -0.04 0.66 0.17 0.82 -1.00 0.00 0.00 179.01 179.62 2csf h ILE 26 N 1.03 1.23 0.34 3.13 2.04 -1.15 0.25 117.51 124.38 2csf h ILE 26 Ca 0.44 -0.79 -0.02 0.00 1.00 0.00 0.00 64.86 65.49 2csf h ILE 26 Cb 0.31 0.61 0.00 0.00 -0.74 0.00 0.00 36.82 37.00 2csf h ILE 26 CO -0.19 0.30 -0.16 1.56 0.00 0.00 0.00 178.15 179.66 2csf h GLN 27 N 0.85 -0.44 -0.12 2.37 4.20 -0.82 -2.72 115.11 118.43 2csf h GLN 27 Ca 0.19 0.03 -0.02 0.00 0.06 0.00 0.00 58.65 58.91 2csf h GLN 27 Cb 0.26 0.10 -0.00 0.00 0.30 0.00 0.00 27.48 28.14 2csf h GLN 27 CO -0.01 -0.19 -0.00 1.96 -0.67 0.00 0.00 178.83 179.93 2csf h GLN 28 N -0.64 0.21 -1.16 1.46 4.20 -1.35 -2.91 115.11 114.93 2csf h GLN 28 Ca -0.05 -0.07 0.34 0.00 0.06 0.00 0.00 58.65 58.94 2csf h GLN 28 Cb 0.46 -0.02 -0.11 0.00 0.30 0.00 0.00 27.48 28.11 2csf h GLN 28 CO 0.08 0.46 0.75 1.49 -0.67 0.00 0.00 178.83 180.93 2csf h GLU 29 N -0.06 0.24 0.58 1.46 4.57 -0.54 0.29 114.58 121.12 2csf h GLU 29 Ca 0.03 -0.01 -0.03 0.00 -1.18 0.00 0.00 59.36 58.17 2csf h GLU 29 Cb 0.36 -0.05 0.01 0.00 -0.16 0.00 0.00 28.75 28.91 2csf h GLU 29 CO 0.01 0.16 -0.28 0.52 -1.18 0.00 0.00 179.01 178.24 2csf h MET 30 N 0.25 -0.75 -0.03 1.92 2.86 -1.28 0.22 114.93 118.11 2csf h MET 30 Ca 0.70 0.05 0.01 0.00 -2.06 0.00 0.00 59.70 58.40 2csf h MET 30 Cb 1.99 0.17 -0.00 0.00 0.06 0.00 0.00 31.60 33.82 2csf h MET 30 CO -0.36 -0.47 0.06 1.57 1.06 0.00 0.00 176.91 178.77 2csf h LYS 31 N -1.16 0.00 0.15 1.72 5.09 -1.08 1.05 116.57 122.33 2csf h LYS 31 Ca -0.08 0.00 -0.31 0.00 0.09 0.00 0.00 60.65 60.35 2csf h LYS 31 Cb 0.63 0.00 0.01 0.00 0.10 0.00 0.00 32.23 32.96 2csf h LYS 31 CO 0.13 0.00 -1.47 -0.09 -2.09 0.00 0.00 179.45 175.93 2csf h ARG 32 N 0.00 0.33 0.00 0.07 9.65 -0.40 -3.31 114.38 120.72 2csf h ARG 32 Ca 0.01 -0.56 0.00 0.00 -1.10 0.00 0.00 59.98 58.33 2csf h ARG 32 Cb 0.12 0.21 0.00 0.00 -1.39 0.00 0.00 29.97 28.91 2csf h ARG 32 CO -0.00 1.23 -0.76 0.00 2.80 0.00 0.00 179.97 183.24 2csf n ALA 33 N -2.66 3.24 -2.76 2.80 0.00 0.05 -4.98 120.51 116.21 2csf n ALA 33 Ca -0.15 -0.33 -0.09 0.00 0.00 0.00 0.00 53.44 52.87 2csf n ALA 33 Cb 1.05 -1.08 0.04 0.00 0.00 0.00 0.00 19.45 19.47 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 -1.93 -3.43 -4.35 0.00 4.76 0.35 -5.00 118.16 108.57 2csf n LYS 34 Ca 0.03 0.43 -0.26 0.00 -2.87 0.00 0.00 58.31 55.64 2csf n LYS 34 Cb 0.42 -4.20 -0.07 0.00 -1.84 0.00 0.00 35.03 29.34 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 -2.72 0.00 -4.29 -0.18 0.24 -0.94 -4.54 118.33 105.90 2csf n VAL 35 Ca -0.13 -2.23 -0.29 0.00 -2.04 0.00 0.00 64.34 59.64 2csf n VAL 35 Cb 0.58 0.67 -0.11 0.00 -1.47 0.00 0.00 33.84 33.51 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 -3.45 4.00 0.43 -1.34 0.15 -1.26 -4.65 113.70 107.58 2csf s SER 36 Ca 0.12 -0.52 0.32 0.00 0.70 0.00 0.00 55.95 56.57 2csf s SER 36 Cb 0.01 -0.62 1.47 0.00 -1.71 0.00 0.00 66.02 65.17 2csf s SER 36 CO 0.08 0.18 1.53 0.00 1.20 0.00 0.00 173.24 176.24 2csf n GLN 37 N 0.79 -0.04 -0.06 5.44 6.02 -1.26 0.13 117.38 128.41 2csf n GLN 37 Ca -0.15 1.23 -0.11 0.00 -0.01 0.00 0.00 57.00 57.96 2csf n GLN 37 Cb 0.53 -2.43 -0.05 0.00 1.02 0.00 0.00 30.24 29.30 2csf n GLN 37 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 2csf h ALA 38 N 1.57 0.26 0.54 -1.58 0.00 -1.92 -1.38 119.26 116.75 2csf h ALA 38 Ca 0.87 -0.19 -0.03 0.00 0.00 0.00 0.00 54.91 55.56 2csf h ALA 38 Cb 2.78 -0.07 0.01 0.00 0.00 0.00 0.00 17.79 20.50 2csf h ALA 38 CO -0.46 -0.05 -0.26 1.25 0.00 0.00 0.00 179.25 179.73 2csf h LEU 39 N 0.11 -0.61 -0.98 0.00 7.12 0.76 0.28 115.31 121.99 2csf h LEU 39 Ca 0.06 0.02 0.25 0.00 0.13 0.00 0.00 57.88 58.34 2csf h LEU 39 Cb 0.35 0.16 -0.13 0.00 -0.53 0.00 0.00 40.66 40.51 2csf h LEU 39 CO 0.01 -0.38 0.54 0.15 -0.13 0.00 0.00 178.44 178.63 2csf h PHE 40 N -0.84 0.91 0.00 1.25 3.04 -1.41 1.04 116.94 120.92 2csf h PHE 40 Ca -0.07 0.04 -0.02 0.00 3.98 0.00 0.00 57.97 61.89 2csf h PHE 40 Cb 0.55 -0.25 -0.00 0.00 2.56 0.00 0.00 35.95 38.81 2csf h PHE 40 CO 0.07 0.01 -0.09 0.00 -2.02 0.00 0.00 178.31 176.27 2csf h ALA 41 N 1.74 0.96 0.00 2.41 0.00 -1.18 0.79 119.26 123.98 2csf h ALA 41 Ca 0.63 -0.08 -0.23 0.00 0.00 0.00 0.00 54.91 55.23 2csf h ALA 41 Cb 1.23 -0.01 -0.04 0.00 0.00 0.00 0.00 17.79 18.97 2csf h ALA 41 CO -0.51 0.11 -1.28 -0.22 0.00 0.00 0.00 179.25 177.36 2csf h LYS 42 N 0.00 0.00 0.00 0.00 3.11 0.47 1.34 116.57 121.49 2csf h LYS 42 Ca -0.00 0.00 0.00 0.00 -2.81 0.00 0.00 60.65 57.84 2csf h LYS 42 Cb 0.91 0.00 0.00 0.00 -1.00 0.00 0.00 32.23 32.14 2csf h LYS 42 CO 0.01 0.72 -1.16 1.33 -2.81 0.00 0.00 179.45 177.54 2csf n VAL 43 N -3.19 0.03 -0.06 2.00 0.24 0.12 -3.09 118.33 114.37 2csf n VAL 43 Ca -0.07 -0.13 -0.06 0.00 -2.04 0.00 0.00 64.34 62.04 2csf n VAL 43 Cb 0.97 0.64 -0.02 0.00 -1.47 0.00 0.00 33.84 33.96 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 -1.69 0.61 0.63 2.33 0.00 0.26 -4.75 120.51 117.91 2csf n ALA 44 Ca 0.02 -0.64 0.07 0.00 0.00 0.00 0.00 53.44 52.89 2csf n ALA 44 Cb 0.39 0.02 -0.02 0.00 0.00 0.00 0.00 19.45 19.85 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 -3.86 3.20 -2.53 0.00 0.00 -0.86 -4.38 120.51 112.08 2csf n ALA 45 Ca -0.10 -0.48 -0.21 0.00 0.00 0.00 0.00 53.44 52.65 2csf n ALA 45 Cb 0.36 -0.50 0.00 0.00 0.00 0.00 0.00 19.45 19.31 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 -0.39 -5.87 -4.66 0.00 2.85 0.43 -4.94 115.26 102.68 2csf n ASN 46 Ca 0.05 -0.08 -0.20 0.00 -0.11 0.00 0.00 54.58 54.24 2csf n ASN 46 Cb 0.28 -4.84 0.04 0.00 1.24 0.00 0.00 39.78 36.50 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 -3.20 0.68 -3.32 1.20 4.76 0.59 -4.85 118.16 114.03 2csf n LYS 47 Ca -0.21 -3.00 -0.37 0.00 -2.87 0.00 0.00 58.31 51.86 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 -1.54 -1.37 0.00 0.00 177.40 174.49 2csf s SER 48 N -4.16 6.93 0.16 4.39 1.04 -1.26 -3.85 113.70 116.95 2csf s SER 48 Ca 0.44 1.16 -0.14 0.00 0.48 0.00 0.00 55.95 57.89 2csf s SER 48 Cb -0.04 -2.32 0.14 0.00 0.10 0.00 0.00 66.02 63.90 2csf s SER 48 CO 0.28 0.18 1.11 1.67 0.98 0.00 0.00 173.24 177.46 2csf n GLN 49 N 1.23 -0.19 -0.32 4.02 7.27 -1.26 0.16 117.38 128.28 2csf n GLN 49 Ca -0.08 1.10 0.18 0.00 0.07 0.00 0.00 57.00 58.27 2csf n GLN 49 Cb 0.51 -1.62 0.37 0.00 2.41 0.00 0.00 30.24 31.91 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 1.58 1.94 1.69 0.00 -1.93 1.36 103.07 107.71 2csf h GLY 50 Ca 0.23 -0.03 -0.05 0.00 0.00 0.00 0.00 47.33 47.48 2csf h GLY 50 CO -0.70 -0.50 -0.19 -0.25 0.00 0.00 0.00 176.54 174.89 2csf h TRP 51 N 0.13 0.07 0.00 5.60 7.01 0.11 -2.54 115.95 126.33 2csf h TRP 51 Ca 0.64 -0.01 -0.01 0.00 2.11 0.00 0.00 58.89 61.62 2csf h TRP 51 Cb 1.42 -0.02 -0.00 0.00 -2.10 0.00 0.00 29.16 28.46 2csf h TRP 51 CO -0.25 0.26 -0.18 1.25 -2.79 0.00 0.00 178.44 176.73 2csf h LEU 52 N 0.07 0.00 -0.88 0.65 7.12 0.18 -3.27 115.31 119.17 2csf h LEU 52 Ca 0.01 -0.14 0.16 0.00 0.13 0.00 0.00 57.88 58.05 2csf h LEU 52 Cb 0.38 0.00 -0.16 0.00 -0.53 0.00 0.00 40.66 40.35 2csf h LEU 52 CO 0.03 0.67 -0.29 0.00 -0.13 0.00 0.00 178.44 178.71 2csf h GLU 54 N -0.02 -0.43 -0.97 0.00 5.08 -1.62 -0.04 114.58 116.56 2csf h GLU 54 Ca 0.38 0.03 0.32 0.00 -1.00 0.00 0.00 59.36 59.09 2csf h GLU 54 Cb 0.62 0.10 -0.17 0.00 0.50 0.00 0.00 28.75 29.80 2csf h GLU 54 CO -0.91 -0.29 0.30 -0.07 -1.00 0.00 0.00 179.01 177.04 2csf h LEU 55 N -0.45 -0.01 -0.32 1.33 4.07 -0.96 1.99 115.31 120.96 2csf h LEU 55 Ca 0.08 0.25 -0.09 0.00 0.08 0.00 0.00 57.88 58.19 2csf h LEU 55 Cb 0.57 0.33 -0.01 0.00 1.08 0.00 0.00 40.66 42.63 2csf h LEU 55 CO -0.32 -0.32 -0.44 -0.07 -1.08 0.00 0.00 178.44 176.21 2csf h LEU 56 N 0.08 0.00 0.15 1.67 3.38 -0.94 0.19 115.31 119.83 2csf h LEU 56 Ca 0.69 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.65 2csf h LEU 56 Cb 1.60 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.35 2csf h LEU 56 CO -0.79 0.44 -0.07 -0.09 0.09 0.00 0.00 178.44 178.03 2csf h ARG 57 N 0.00 -0.19 0.06 1.13 2.43 0.47 -3.38 114.38 114.90 2csf h ARG 57 Ca -0.00 0.01 -0.12 0.00 -0.81 0.00 0.00 59.98 59.06 2csf h ARG 57 Cb 1.21 0.04 0.01 0.00 -0.42 0.00 0.00 29.97 30.82 2csf h ARG 57 CO 0.06 0.04 -0.49 -1.49 -1.51 0.00 0.00 179.97 176.58 2csf h TRP 58 N -1.02 0.39 -5.96 2.20 4.06 -0.35 -3.48 115.95 111.79 2csf h TRP 58 Ca -0.02 -0.25 -0.39 0.00 2.06 0.00 0.00 58.89 60.28 2csf h TRP 58 Cb 0.32 -0.03 0.09 0.00 -1.00 0.00 0.00 29.16 28.54 2csf h TRP 58 CO 0.04 1.14 -0.80 1.63 -3.56 0.00 0.00 178.44 176.90 2csf n LYS 59 N -4.32 -5.70 -0.65 0.49 5.02 0.67 -4.94 118.16 108.73 2csf n LYS 59 Ca -0.12 0.70 -0.32 0.00 -2.02 0.00 0.00 58.31 56.56 2csf n LYS 59 Cb 0.66 -5.47 0.18 0.00 -0.02 0.00 0.00 35.03 30.39 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 -4.31 -1.65 -2.78 1.97 4.71 -1.26 -4.88 120.64 112.43 2csf n GLU 60 Ca -0.25 -0.46 -0.43 0.00 -0.01 0.00 0.00 57.16 56.01 2csf n GLU 60 Cb 0.65 -1.78 -0.04 0.00 -1.01 0.00 0.00 31.44 29.27 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 -1.94 6.59 0.36 1.62 3.84 -1.26 -4.84 114.94 119.31 2csf s ASN 61 Ca 0.58 0.35 -0.27 0.00 0.21 0.00 0.00 52.86 53.73 2csf s ASN 61 Cb -0.14 -2.47 -0.09 0.00 -0.55 0.00 0.00 41.25 37.99 2csf s ASN 61 CO 0.66 -1.01 1.21 -2.16 -2.79 0.00 0.00 177.10 173.01 2csf s PRO 62 N 3.75 4.25 0.09 0.43 0.04 -1.26 -5.02 135.00 137.27 2csf s PRO 62 Ca 0.39 1.97 -0.26 0.00 0.04 0.00 0.00 61.00 63.15 2csf s PRO 62 Cb -0.10 -2.90 0.08 0.00 0.04 0.00 0.00 34.50 31.62 2csf s PRO 62 CO 0.24 -0.19 0.67 -1.12 0.04 0.00 0.00 177.00 176.64 2csf s SER 63 N -0.86 -0.55 0.00 6.66 0.01 -1.26 -4.84 113.70 112.86 2csf s SER 63 Ca 0.52 0.14 0.15 0.00 1.31 0.00 0.00 55.95 58.08 2csf s SER 63 Cb -0.34 0.55 0.91 0.00 0.21 0.00 0.00 66.02 67.34 2csf s SER 63 CO 0.44 -0.83 1.35 -0.81 0.41 0.00 0.00 173.24 173.80 2csf n PRO 64 N -0.09 0.45 0.03 12.44 -0.04 -1.26 -2.73 135.00 143.79 2csf n PRO 64 Ca -0.16 0.02 -0.22 0.00 -0.04 0.00 0.00 63.50 63.10 2csf n PRO 64 Cb 0.63 -1.50 -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 0.30 -6.68 0.54 4.39 -1.99 -3.44 114.58 107.69 2csf h GLU 65 Ca 0.00 -0.50 -0.56 0.00 0.34 0.00 0.00 59.36 58.64 2csf h GLU 65 Cb 0.02 0.19 -0.07 0.00 -0.10 0.00 0.00 28.75 28.79 2csf h GLU 65 CO 0.00 1.24 0.95 1.21 -1.16 0.00 0.00 179.01 181.26 2csf s ASN 66 N -7.13 6.57 -0.01 1.42 3.84 -1.11 -4.93 114.94 113.60 2csf s ASN 66 Ca -0.20 0.46 -0.06 0.00 0.21 0.00 0.00 52.86 53.28 2csf s ASN 66 Cb 0.05 -2.55 -0.03 0.00 -0.55 0.00 0.00 41.25 38.17 2csf s ASN 66 CO 0.79 -1.31 0.58 0.03 -2.79 0.00 0.00 177.10 174.40 2csf h ARG 67 N 9.47 -0.22 -1.49 0.43 2.47 -1.86 0.79 114.38 123.97 2csf h ARG 67 Ca -0.24 0.01 0.45 0.00 -1.26 0.00 0.00 59.98 58.94 2csf h ARG 67 Cb 1.07 0.05 -0.09 0.00 -1.65 0.00 0.00 29.97 29.35 2csf h ARG 67 CO 1.13 -0.15 1.03 1.15 0.56 0.00 0.00 179.97 183.70 2csf h THR 68 N -0.40 0.18 0.00 2.04 2.02 -1.99 0.54 112.91 115.30 2csf h THR 68 Ca -0.02 -0.02 0.00 0.00 0.77 0.00 0.00 66.41 67.14 2csf h THR 68 Cb 0.17 0.12 0.00 0.00 -1.74 0.00 0.00 68.15 66.70 2csf h THR 68 CO 0.04 0.01 -0.10 0.25 0.37 0.00 0.00 175.52 176.09 2csf h LEU 69 N 0.06 0.00 -0.78 2.58 5.85 -1.94 -3.33 115.31 117.75 2csf h LEU 69 Ca 0.78 0.00 0.16 0.00 0.84 0.00 0.00 57.88 59.66 2csf h LEU 69 Cb 2.83 0.00 -0.15 0.00 0.37 0.00 0.00 40.66 43.71 2csf h LEU 69 CO -0.17 0.17 -0.19 -0.25 -0.34 0.00 0.00 178.44 177.66 2csf h TRP 70 N -0.23 -0.41 -0.04 1.25 2.91 0.10 0.11 115.95 119.64 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 0.10 0.30 -0.01 0.00 -0.51 0.00 0.00 29.16 29.04 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 0.00 -0.07 -0.02 2.65 5.08 -0.06 0.49 114.58 122.65 2csf h GLU 71 Ca 0.37 0.01 0.03 0.00 -1.00 0.00 0.00 59.36 58.77 2csf h GLU 71 Cb 0.57 0.02 -0.05 0.00 0.50 0.00 0.00 28.75 29.79 2csf h GLU 71 CO -0.80 -0.05 -0.32 -0.91 -1.00 0.00 0.00 179.01 175.93 2csf h ASN 72 N -0.08 -0.97 -0.08 1.42 2.35 -1.50 0.14 115.58 116.85 2csf h ASN 72 Ca 0.01 0.13 0.02 0.00 -0.55 0.00 0.00 56.30 55.91 2csf h ASN 72 Cb 0.10 0.39 -0.00 0.00 0.05 0.00 0.00 38.32 38.86 2csf h ASN 72 CO -0.08 -0.38 0.35 -0.07 -1.65 0.00 0.00 177.43 175.59 2csf h LEU 73 N -0.47 0.00 0.10 1.61 3.38 -0.54 -0.97 115.31 118.43 2csf h LEU 73 Ca 0.06 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.03 2csf h LEU 73 Cb 0.56 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.31 2csf h LEU 73 CO -0.28 0.00 -0.05 0.00 0.09 0.00 0.00 178.44 178.20 2csf h THR 75 N -0.71 1.26 -0.04 0.00 1.03 -0.95 -2.35 112.91 111.13 2csf h THR 75 Ca -0.01 -0.83 -0.05 0.00 -0.01 0.00 0.00 66.41 65.50 2csf h THR 75 Cb 0.54 0.39 -0.01 0.00 -1.07 0.00 0.00 68.15 68.01 2csf h THR 75 CO 0.02 0.33 -0.23 0.40 -0.01 0.00 0.00 175.52 176.04 2csf h ILE 76 N 1.09 1.18 -0.43 0.00 2.04 -1.45 -2.61 117.51 117.34 2csf h ILE 76 Ca 0.25 -0.87 -0.14 0.00 1.00 0.00 0.00 64.86 65.10 2csf h ILE 76 Cb 0.24 1.41 -0.01 0.00 -0.74 0.00 0.00 36.82 37.72 2csf h ILE 76 CO -0.02 0.25 -0.29 -0.09 0.00 0.00 0.00 178.15 178.00 2csf h ARG 77 N 0.07 0.96 -0.11 2.37 9.65 -0.87 -2.95 114.38 123.49 2csf h ARG 77 Ca 0.01 -0.45 -0.08 0.00 -1.10 0.00 0.00 59.98 58.36 2csf h ARG 77 Cb 0.44 -0.01 -0.01 0.00 -1.39 0.00 0.00 29.97 29.00 2csf h ARG 77 CO 0.03 1.11 -0.29 0.00 2.80 0.00 0.00 179.97 183.62 2csf h ARG 78 N 0.80 0.21 0.40 0.20 3.08 -1.15 -2.96 114.38 114.97 2csf h ARG 78 Ca 0.09 -0.07 -0.02 0.00 0.07 0.00 0.00 59.98 60.04 2csf h ARG 78 Cb 0.87 -0.01 0.00 0.00 0.08 0.00 0.00 29.97 30.91 2csf h ARG 78 CO 0.08 0.49 -0.19 0.35 -1.07 0.00 0.00 179.97 179.63 2csf h PHE 79 N 0.19 -0.50 -0.75 3.04 3.04 -1.32 -2.80 116.94 117.84 2csf h PHE 79 Ca 0.03 -0.01 0.14 0.00 3.98 0.00 0.00 57.97 62.11 2csf h PHE 79 Cb 0.62 0.17 -0.05 0.00 2.56 0.00 0.00 35.95 39.25 2csf h PHE 79 CO 0.01 -0.24 0.50 -0.07 -2.02 0.00 0.00 178.31 176.49 2csf h LEU 80 N -0.67 0.42 -2.51 0.59 3.38 -1.48 0.20 115.31 115.25 2csf h LEU 80 Ca -0.06 0.02 0.02 0.00 0.09 0.00 0.00 57.88 57.95 2csf h LEU 80 Cb 0.48 -0.06 -0.00 0.00 0.09 0.00 0.00 40.66 41.17 2csf h LEU 80 CO 0.09 0.22 0.10 0.78 0.09 0.00 0.00 178.44 179.73 2csf h ASN 81 N 0.45 0.00 -4.08 -0.43 2.35 -1.33 -3.43 115.58 109.12 2csf h ASN 81 Ca 0.37 0.00 -0.52 0.00 -0.55 0.00 0.00 56.30 55.60 2csf h ASN 81 Cb 0.79 0.00 0.09 0.00 0.05 0.00 0.00 38.32 39.25 2csf h ASN 81 CO -0.12 0.00 0.46 -0.76 -1.65 0.00 0.00 177.43 175.36 2csf s LEU 82 N -6.92 3.74 0.53 1.61 1.43 0.70 -4.99 118.68 114.78 2csf s LEU 82 Ca -0.05 2.30 -0.20 0.00 -1.03 0.00 0.00 54.13 55.16 2csf s LEU 82 Cb 0.14 -4.55 -0.06 0.00 0.03 0.00 0.00 46.19 41.74 2csf s LEU 82 CO 0.47 -1.37 1.13 -2.16 0.23 0.00 0.00 176.35 174.65 2csf s PRO 83 N -3.24 3.40 0.30 1.29 0.04 -1.26 -4.68 135.00 130.84 2csf s PRO 83 Ca 0.74 1.63 0.04 0.00 0.04 0.00 0.00 61.00 63.45 2csf s PRO 83 Cb -0.28 -2.05 0.77 0.00 0.04 0.00 0.00 34.50 32.99 2csf s PRO 83 CO 0.31 -0.81 1.66 0.37 0.04 0.00 0.00 177.00 178.56 2csf h GLN 84 N 1.29 0.24 0.00 4.56 4.15 -1.94 1.07 115.11 124.49 2csf h GLN 84 Ca -0.50 -0.01 -0.01 0.00 0.77 0.00 0.00 58.65 58.90 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 0.57 0.16 -0.05 1.12 -1.93 0.00 0.00 178.83 178.70 2csf h HIS 85 N 0.25 0.00 0.02 3.99 2.07 -1.99 -1.46 115.15 118.02 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 1.20 0.00 0.00 0.00 2.57 0.00 0.00 27.41 31.18 2csf h HIS 85 CO -0.21 0.05 -0.01 0.93 -3.07 0.00 0.00 177.93 175.62 2csf h GLU 86 N 0.00 -0.02 -0.82 5.12 4.39 0.80 -3.22 114.58 120.82 2csf h GLU 86 Ca -0.00 0.00 0.17 0.00 0.34 0.00 0.00 59.36 59.87 2csf h GLU 86 Cb 0.09 0.01 -0.15 0.00 -0.10 0.00 0.00 28.75 28.59 2csf h GLU 86 CO 0.01 -0.02 -0.19 0.00 -1.16 0.00 0.00 179.01 177.65 2csf h ARG 87 N -0.28 0.00 -0.98 2.33 3.08 -1.23 0.69 114.38 117.98 2csf h ARG 87 Ca -0.00 -0.00 0.20 0.00 0.07 0.00 0.00 59.98 60.25 2csf h ARG 87 Cb 0.02 -0.00 -0.09 0.00 0.08 0.00 0.00 29.97 29.97 2csf h ARG 87 CO 0.00 0.00 0.62 -0.44 -1.07 0.00 0.00 179.97 179.08 2csf h ASP 88 N 0.00 0.64 -0.11 7.04 5.19 -1.43 -0.74 116.42 127.02 2csf h ASP 88 Ca 0.40 0.08 -0.01 0.00 -0.62 0.00 0.00 57.03 56.87 2csf h ASP 88 Cb 0.61 -0.03 -0.00 0.00 0.18 0.00 0.00 39.33 40.09 2csf h ASP 88 CO -0.83 0.22 0.02 0.58 -3.12 0.00 0.00 179.24 176.11 2csf h VAL 89 N 0.62 1.21 -0.16 -1.35 2.07 0.36 -1.28 116.25 117.72 2csf h VAL 89 Ca 0.55 -0.67 0.04 0.00 0.82 0.00 0.00 66.70 67.44 2csf h VAL 89 Cb 1.05 1.45 -0.04 0.00 -1.52 0.00 0.00 31.29 32.23 2csf h VAL 89 CO -0.31 0.19 -0.07 0.40 0.02 0.00 0.00 177.57 177.79 2csf h ILE 90 N -0.05 0.76 -0.22 4.57 2.04 -0.66 0.20 117.51 124.15 2csf h ILE 90 Ca 0.03 0.00 0.01 0.00 1.00 0.00 0.00 64.86 65.90 2csf h ILE 90 Cb 0.28 0.76 -0.01 0.00 -0.74 0.00 0.00 36.82 37.11 2csf h ILE 90 CO 0.00 0.00 0.14 1.88 0.00 0.00 0.00 178.15 180.17 2csf h TYR 91 N -0.06 0.26 0.49 1.37 0.05 -1.30 1.00 116.97 118.78 2csf h TYR 91 Ca 0.09 0.01 -0.02 0.00 0.05 0.00 0.00 58.73 58.86 2csf h TYR 91 Cb 0.19 -0.09 -0.00 0.00 1.01 0.00 0.00 36.73 37.84 2csf h TYR 91 CO -0.22 0.16 -0.27 0.93 -1.05 0.00 0.00 178.16 177.71 2csf h GLU 92 N 0.29 -0.68 -0.74 4.88 4.39 -0.86 0.38 114.58 122.23 2csf h GLU 92 Ca 0.08 0.05 0.07 0.00 0.34 0.00 0.00 59.36 59.90 2csf h GLU 92 Cb -0.02 0.15 -0.06 0.00 -0.10 0.00 0.00 28.75 28.73 2csf h GLU 92 CO -0.03 -0.45 0.43 0.93 -1.16 0.00 0.00 179.01 178.72 2csf h GLU 93 N -0.70 0.74 0.18 2.33 4.39 -0.52 -3.20 114.58 117.80 2csf h GLU 93 Ca -0.06 -0.04 -0.01 0.00 0.34 0.00 0.00 59.36 59.59 2csf h GLU 93 Cb 0.56 -0.17 0.00 0.00 -0.10 0.00 0.00 28.75 29.05 2csf h GLU 93 CO 0.08 0.49 -0.09 1.49 -1.16 0.00 0.00 179.01 179.83 2csf h GLU 94 N 0.76 -0.23 -5.55 2.33 4.57 -0.57 -3.43 114.58 112.47 2csf h GLU 94 Ca 0.34 0.02 -0.59 0.00 -1.18 0.00 0.00 59.36 57.95 2csf h GLU 94 Cb 0.23 0.05 -0.10 0.00 -0.16 0.00 0.00 28.75 28.77 2csf h GLU 94 CO -0.20 -0.15 -0.25 0.45 -1.18 0.00 0.00 179.01 177.68 2csf s SER 95 N -2.94 6.51 -0.23 1.04 0.15 0.13 -5.07 113.70 113.30 2csf s SER 95 Ca -0.04 0.60 -0.06 0.00 0.70 0.00 0.00 55.95 57.15 2csf s SER 95 Cb 0.00 -2.22 -0.03 0.00 -1.71 0.00 0.00 66.02 62.06 2csf s SER 95 CO 0.11 0.04 0.04 -0.55 1.20 0.00 0.00 173.24 174.07 2csf s SER 96 N 0.63 5.03 0.00 5.45 0.15 -1.26 -4.27 113.70 119.44 2csf s SER 96 Ca 0.20 -0.19 0.00 0.00 0.70 0.00 0.00 55.95 56.66 2csf s SER 96 Cb -0.14 -1.88 0.00 0.00 -1.71 0.00 0.00 66.02 62.29 2csf s SER 96 CO 0.06 0.02 0.00 0.61 1.20 0.00 0.00 173.24 175.13 2csf n GLY 97 N 4.57 2.75 3.63 9.45 0.00 -1.26 -4.99 105.19 119.34 2csf n GLY 97 Ca -0.17 -1.64 -0.43 0.00 0.00 0.00 0.00 46.02 43.78 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 -4.53 3.80 0.35 1.61 0.04 -1.26 -5.00 135.00 130.01 2csf s PRO 98 Ca 0.00 1.66 -0.14 0.00 0.04 0.00 0.00 61.00 62.57 2csf s PRO 98 Cb 0.00 -4.03 -0.08 0.00 0.04 0.00 0.00 34.50 30.43 2csf s PRO 98 CO 0.00 -1.28 0.75 0.45 0.04 0.00 0.00 177.00 176.96 2csf s SER 99 N 4.19 6.70 -0.20 6.66 0.15 -1.26 -5.07 113.70 124.87 2csf s SER 99 Ca 0.71 1.25 -0.06 0.00 0.70 0.00 0.00 55.95 58.55 2csf s SER 99 Cb -0.25 -2.36 -0.03 0.00 -1.71 0.00 0.00 66.02 61.67 2csf s SER 99 CO 0.29 -0.27 0.02 -0.44 1.20 0.00 0.00 173.24 174.04 2csf s SER 100 N -2.54 5.01 0.00 5.45 0.01 -1.26 -4.97 113.70 115.40 2csf s SER 100 Ca 0.54 -0.15 0.07 0.00 1.31 0.00 0.00 55.95 57.71 2csf s SER 100 Cb -0.10 -1.86 0.05 0.00 0.21 0.00 0.00 66.02 64.32 2csf s SER 100 CO 0.22 0.07 0.72 0.61 0.41 0.00 0.00 173.24 175.27