#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2cra n SER 2 N 0.00 6.50 -0.08 1.61 2.88 -1.26 -4.73 113.62 118.54 2cra n SER 2 Ca 0.00 -3.65 -0.10 0.00 -1.33 0.00 0.00 58.87 53.79 2cra n SER 2 Cb 0.00 -1.02 -0.05 0.00 -0.75 0.00 0.00 64.21 62.39 2cra n SER 2 CO 0.00 0.00 0.00 0.77 -1.23 0.00 0.00 175.04 174.58 2cra h SER 3 N 4.05 0.00 -0.18 -3.46 4.64 -2.14 -3.51 113.55 112.95 2cra h SER 3 Ca 0.40 -0.16 0.00 0.00 -0.47 0.00 0.00 61.79 61.56 2cra h SER 3 Cb 0.40 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.49 2cra h SER 3 CO 1.10 0.97 0.00 0.61 -0.87 0.00 0.00 176.83 178.65 2cra n GLY 4 N 1.57 -1.69 3.49 -0.77 0.00 -1.26 -5.01 105.19 101.52 2cra n GLY 4 Ca -0.15 -1.62 -0.16 0.00 0.00 0.00 0.00 46.02 44.10 2cra n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2cra s SER 5 N -4.00 -0.60 0.44 1.61 0.15 -1.26 -5.18 113.70 104.85 2cra s SER 5 Ca 0.00 0.82 0.07 0.00 0.70 0.00 0.00 55.95 57.54 2cra s SER 5 Cb 0.00 0.75 -0.02 0.00 -1.71 0.00 0.00 66.02 65.04 2cra s SER 5 CO 0.00 -0.47 0.35 -0.44 1.20 0.00 0.00 173.24 173.88 2cra s SER 6 N -0.74 4.88 0.00 5.45 0.01 -1.26 -5.12 113.70 116.92 2cra s SER 6 Ca -0.08 -0.88 0.00 0.00 1.31 0.00 0.00 55.95 56.30 2cra s SER 6 Cb -0.02 -0.40 0.00 0.00 0.21 0.00 0.00 66.02 65.81 2cra s SER 6 CO 0.06 -0.71 0.00 0.61 0.41 0.00 0.00 173.24 173.62 2cra n GLY 7 N -1.53 3.15 0.36 3.44 0.00 -1.26 -5.09 105.19 104.26 2cra n GLY 7 Ca 0.02 -0.08 0.00 0.00 0.00 0.00 0.00 46.02 45.96 2cra n GLY 7 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 2cra n ARG 8 N 0.00 0.00 -1.45 1.61 1.85 -1.26 -5.08 116.66 112.33 2cra n ARG 8 Ca 0.00 0.00 -0.30 0.00 -1.00 0.00 0.00 57.85 56.55 2cra n ARG 8 Cb 0.00 -0.73 0.10 0.00 -1.05 0.00 0.00 32.46 30.77 2cra n ARG 8 CO 0.00 0.00 0.00 0.15 -0.01 0.00 0.00 177.63 177.77 2cra s LYS 9 N -1.82 2.04 -0.08 2.89 1.02 -1.26 -4.92 119.74 117.61 2cra s LYS 9 Ca 0.00 0.78 -0.36 0.00 0.02 0.00 0.00 55.97 56.41 2cra s LYS 9 Cb 0.00 -1.90 -0.13 0.00 -0.52 0.00 0.00 37.83 35.28 2cra s LYS 9 CO 0.00 -1.68 1.78 1.63 -0.92 0.00 0.00 175.35 176.15 2cra n LYS 10 N -3.50 1.89 -4.18 1.68 5.02 -1.26 -4.95 118.16 112.86 2cra n LYS 10 Ca 0.07 0.69 -0.15 0.00 -2.02 0.00 0.00 58.31 56.90 2cra n LYS 10 Cb 0.55 -2.48 -0.08 0.00 -0.02 0.00 0.00 35.03 33.01 2cra n LYS 10 CO 0.00 0.00 0.00 0.50 -0.52 0.00 0.00 177.40 177.38 2cra s ARG 11 N 3.29 1.58 0.21 1.97 3.52 -1.26 -5.14 118.95 123.12 2cra s ARG 11 Ca 0.91 -1.75 -0.30 0.00 -0.13 0.00 0.00 55.73 54.47 2cra s ARG 11 Cb -0.79 0.35 -0.09 0.00 -1.56 0.00 0.00 34.95 32.86 2cra s ARG 11 CO 0.52 -0.59 1.27 0.42 -0.81 0.00 0.00 175.30 176.11 2cra s ILE 12 N -3.66 3.29 0.01 4.11 -1.09 -1.26 -5.04 121.20 117.56 2cra s ILE 12 Ca 0.36 1.10 -0.00 0.00 -2.23 0.00 0.00 60.65 59.87 2cra s ILE 12 Cb 0.03 -3.70 0.00 0.00 -1.58 0.00 0.00 42.46 37.21 2cra s ILE 12 CO 0.19 0.18 0.01 -0.81 -1.23 0.00 0.00 174.94 173.28 2cra n PRO 13 N 2.38 -0.00 -2.05 2.79 -0.04 -1.26 -4.93 135.00 131.89 2cra n PRO 13 Ca 0.05 -0.02 0.00 0.00 -0.04 0.00 0.00 63.50 63.49 2cra n PRO 13 Cb 0.43 -0.01 0.00 0.00 -0.04 0.00 0.00 33.50 33.88 2cra n PRO 13 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 2cra n TYR 14 N -2.01 -3.92 -1.18 0.54 4.01 -1.26 -4.98 117.16 108.37 2cra n TYR 14 Ca 0.00 2.34 -0.30 0.00 -0.16 0.00 0.00 57.90 59.78 2cra n TYR 14 Cb 0.01 -3.48 0.14 0.00 -0.31 0.00 0.00 39.34 35.70 2cra n TYR 14 CO 0.00 0.00 0.00 0.45 -0.46 0.00 0.00 176.86 176.85 2cra s SER 15 N -0.48 3.39 0.31 7.72 0.15 -1.26 -4.65 113.70 118.88 2cra s SER 15 Ca 0.00 1.50 0.07 0.00 0.70 0.00 0.00 55.95 58.22 2cra s SER 15 Cb 0.00 -2.17 0.77 0.00 -1.71 0.00 0.00 66.02 62.91 2cra s SER 15 CO 0.00 -2.69 1.77 0.11 1.20 0.00 0.00 173.24 173.63 2cra h LYS 16 N -1.59 0.71 -0.25 5.44 1.79 -1.98 0.67 116.57 121.36 2cra h LYS 16 Ca -0.50 -0.04 -0.06 0.00 -2.18 0.00 0.00 60.65 57.87 2cra h LYS 16 Cb 1.29 -0.16 -0.01 0.00 -1.58 0.00 0.00 32.23 31.77 2cra h LYS 16 CO 0.54 0.47 -0.07 0.78 -1.08 0.00 0.00 179.45 180.09 2cra h GLY 17 N 0.73 0.53 1.00 3.86 0.00 -1.99 -0.65 103.07 106.55 2cra h GLY 17 Ca 0.58 -0.45 -0.04 0.00 0.00 0.00 0.00 47.33 47.43 2cra h GLY 17 CO -0.38 0.41 0.23 1.46 0.00 0.00 0.00 176.54 178.25 2cra h GLN 18 N 0.23 0.91 0.00 4.80 4.20 -1.54 -2.33 115.11 121.39 2cra h GLN 18 Ca 0.06 -0.17 -0.04 0.00 0.06 0.00 0.00 58.65 58.56 2cra h GLN 18 Cb 0.54 -0.14 -0.01 0.00 0.30 0.00 0.00 27.48 28.17 2cra h GLN 18 CO 0.03 0.79 -0.20 -0.07 -0.67 0.00 0.00 178.83 178.71 2cra h LEU 19 N 0.85 0.00 -1.50 1.46 3.38 -0.90 -3.00 115.31 115.60 2cra h LEU 19 Ca 0.20 0.00 0.04 0.00 0.09 0.00 0.00 57.88 58.21 2cra h LEU 19 Cb 0.22 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 40.94 2cra h LEU 19 CO -0.01 0.20 0.39 -0.09 0.09 0.00 0.00 178.44 179.01 2cra h ARG 20 N 0.00 0.62 0.19 1.13 2.43 -0.53 0.23 114.38 118.45 2cra h ARG 20 Ca -0.00 -0.04 -0.34 0.00 -0.81 0.00 0.00 59.98 58.79 2cra h ARG 20 Cb 0.75 -0.14 0.01 0.00 -0.42 0.00 0.00 29.97 30.17 2cra h ARG 20 CO 0.03 0.41 -1.66 0.93 -1.51 0.00 0.00 179.97 178.16 2cra h GLU 21 N 0.64 0.40 0.22 0.20 4.39 -1.56 -3.16 114.58 115.70 2cra h GLU 21 Ca 0.24 -0.69 -0.01 0.00 0.34 0.00 0.00 59.36 59.24 2cra h GLU 21 Cb 0.16 0.26 0.00 0.00 -0.10 0.00 0.00 28.75 29.07 2cra h GLU 21 CO -0.07 1.31 -0.10 -0.07 -1.16 0.00 0.00 179.01 178.92 2cra h LEU 22 N 0.11 -0.24 -0.38 1.33 3.38 -1.36 -0.82 115.31 117.31 2cra h LEU 22 Ca -0.31 -0.14 0.06 0.00 0.09 0.00 0.00 57.88 57.58 2cra h LEU 22 Cb 2.10 0.06 -0.05 0.00 0.09 0.00 0.00 40.66 42.86 2cra h LEU 22 CO 0.20 0.00 0.07 -0.33 0.09 0.00 0.00 178.44 178.47 2cra h GLU 23 N -0.49 0.19 0.38 1.13 5.08 -0.73 0.25 114.58 120.38 2cra h GLU 23 Ca -0.03 -0.01 -0.01 0.00 -1.00 0.00 0.00 59.36 58.31 2cra h GLU 23 Cb 0.37 -0.04 -0.00 0.00 0.50 0.00 0.00 28.75 29.58 2cra h GLU 23 CO 0.05 0.13 -0.22 0.00 -1.00 0.00 0.00 179.01 177.96 2cra h ARG 24 N 0.20 -0.55 -0.84 2.33 3.08 -1.51 0.18 114.38 117.27 2cra h ARG 24 Ca 0.18 0.04 0.05 0.00 0.07 0.00 0.00 59.98 60.32 2cra h ARG 24 Cb 0.22 0.12 -0.05 0.00 0.08 0.00 0.00 29.97 30.34 2cra h ARG 24 CO -0.24 -0.37 0.55 0.93 -1.07 0.00 0.00 179.97 179.77 2cra h GLU 25 N -0.57 0.97 -0.19 0.04 3.07 -0.85 -2.22 114.58 114.83 2cra h GLU 25 Ca -0.04 -0.06 -0.04 0.00 -0.50 0.00 0.00 59.36 58.72 2cra h GLU 25 Cb 0.47 -0.22 -0.01 0.00 -0.84 0.00 0.00 28.75 28.15 2cra h GLU 25 CO 0.05 0.64 -0.05 -0.92 -1.40 0.00 0.00 179.01 177.33 2cra h TYR 26 N 1.00 0.41 -0.09 4.33 3.20 -0.14 -2.04 116.97 123.64 2cra h TYR 26 Ca 0.35 -0.09 0.03 0.00 3.14 0.00 0.00 58.73 62.16 2cra h TYR 26 Cb 0.11 -0.10 -0.00 0.00 1.54 0.00 0.00 36.73 38.28 2cra h TYR 26 CO -0.00 0.62 0.10 0.00 -1.64 0.00 0.00 178.16 177.25 2cra h ALA 27 N 0.73 1.69 0.04 1.82 0.00 -0.16 -0.82 119.26 122.57 2cra h ALA 27 Ca 0.05 -0.00 -0.26 0.00 0.00 0.00 0.00 54.91 54.69 2cra h ALA 27 Cb 0.49 0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.26 2cra h ALA 27 CO 0.02 -0.15 -1.34 0.00 0.00 0.00 0.00 179.25 177.78 2cra h ALA 28 N 1.88 0.41 -1.56 0.00 0.00 -1.14 -3.46 119.26 115.39 2cra h ALA 28 Ca 0.04 -1.10 0.12 0.00 0.00 0.00 0.00 54.91 53.97 2cra h ALA 28 Cb 0.25 0.13 -0.22 0.00 0.00 0.00 0.00 17.79 17.95 2cra h ALA 28 CO -0.00 1.28 0.05 0.54 0.00 0.00 0.00 179.25 181.13 2cra s ASN 29 N -6.66 -0.87 0.49 0.00 2.20 -0.32 -5.02 114.94 104.76 2cra s ASN 29 Ca -0.03 1.21 0.26 0.00 -0.94 0.00 0.00 52.86 53.35 2cra s ASN 29 Cb 0.08 1.93 1.33 0.00 -2.00 0.00 0.00 41.25 42.59 2cra s ASN 29 CO 0.83 -0.17 1.89 0.11 -2.94 0.00 0.00 177.10 176.82 2cra h LYS 30 N 7.63 0.14 -4.80 3.55 1.57 -1.82 -3.38 116.57 119.45 2cra h LYS 30 Ca -0.18 -0.01 -0.58 0.00 -1.87 0.00 0.00 60.65 58.01 2cra h LYS 30 Cb 1.12 -0.03 -0.34 0.00 0.08 0.00 0.00 32.23 33.06 2cra h LYS 30 CO 0.10 0.09 -0.84 -0.06 -0.57 0.00 0.00 179.45 178.18 2cra s PHE 31 N -5.14 1.92 0.25 -1.35 0.40 -1.26 -4.88 117.98 107.91 2cra s PHE 31 Ca -0.06 -0.82 0.02 0.00 -0.60 0.00 0.00 56.93 55.46 2cra s PHE 31 Cb 0.22 -1.36 0.05 0.00 0.51 0.00 0.00 43.02 42.43 2cra s PHE 31 CO 0.77 -0.40 0.34 0.44 0.70 0.00 0.00 175.22 177.07 2cra n ILE 32 N 3.94 0.00 -4.49 0.64 -5.35 -1.26 -5.12 119.36 107.73 2cra n ILE 32 Ca -0.20 -0.66 -0.24 0.00 -0.27 0.00 0.00 62.75 61.38 2cra n ILE 32 Cb 0.52 -1.01 -0.10 0.00 -1.74 0.00 0.00 39.64 37.30 2cra n ILE 32 CO 0.00 0.00 0.00 0.28 -1.76 0.00 0.00 176.55 175.07 2cra s THR 33 N -0.69 2.11 0.62 7.28 -1.32 -1.26 -4.99 115.64 117.38 2cra s THR 33 Ca 0.24 -2.23 0.33 0.00 -1.21 0.00 0.00 61.69 58.82 2cra s THR 33 Cb -0.02 -2.48 0.37 0.00 -1.51 0.00 0.00 72.50 68.86 2cra s THR 33 CO 0.16 -0.29 2.19 0.11 -2.21 0.00 0.00 174.62 174.57 2cra h LYS 34 N 2.17 0.00 0.00 7.08 1.57 -2.00 0.34 116.57 125.73 2cra h LYS 34 Ca -0.41 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.37 2cra h LYS 34 Cb 1.25 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.56 2cra h LYS 34 CO 0.67 0.00 -0.02 -0.44 -0.57 0.00 0.00 179.45 179.09 2cra h ASP 35 N 0.00 0.00 0.02 0.86 5.19 -2.01 -3.07 116.42 117.41 2cra h ASP 35 Ca 0.03 -0.00 -0.39 0.00 -0.62 0.00 0.00 57.03 56.05 2cra h ASP 35 Cb 0.27 0.00 -0.06 0.00 0.18 0.00 0.00 39.33 39.72 2cra h ASP 35 CO -0.00 0.00 -2.40 1.17 -3.12 0.00 0.00 179.24 174.89 2cra n LYS 36 N -2.71 0.66 0.24 3.56 3.00 0.97 -4.29 118.16 119.59 2cra n LYS 36 Ca 0.05 0.18 0.07 0.00 -0.00 0.00 0.00 58.31 58.61 2cra n LYS 36 Cb 0.48 -1.55 0.58 0.00 0.00 0.00 0.00 35.03 34.55 2cra n LYS 36 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.40 177.31 2cra h ARG 37 N -0.09 0.00 -0.58 1.64 2.43 -1.01 -2.31 114.38 114.46 2cra h ARG 37 Ca -0.57 0.00 -0.05 0.00 -0.81 0.00 0.00 59.98 58.55 2cra h ARG 37 Cb 1.89 0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 31.41 2cra h ARG 37 CO -0.10 0.12 0.17 0.07 -1.51 0.00 0.00 179.97 178.73 2cra h ARG 38 N 0.00 0.91 0.11 0.20 0.11 -1.73 -1.67 114.38 112.32 2cra h ARG 38 Ca -0.00 -0.20 -0.01 0.00 0.10 0.00 0.00 59.98 59.87 2cra h ARG 38 Cb 0.22 -0.13 0.00 0.00 1.11 0.00 0.00 29.97 31.18 2cra h ARG 38 CO 0.02 0.83 -0.06 0.87 0.10 0.00 0.00 179.97 181.73 2cra h LYS 39 N 0.83 -0.15 -0.93 0.08 1.79 -1.62 -3.16 116.57 113.41 2cra h LYS 39 Ca 0.19 0.01 0.17 0.00 -2.18 0.00 0.00 60.65 58.84 2cra h LYS 39 Cb 0.30 0.03 -0.08 0.00 -1.58 0.00 0.00 32.23 30.91 2cra h LYS 39 CO -0.00 0.27 0.59 0.82 -1.08 0.00 0.00 179.45 180.05 2cra h ILE 40 N -0.62 0.77 -0.17 1.86 2.04 -1.43 0.29 117.51 120.26 2cra h ILE 40 Ca -0.02 -0.22 0.05 0.00 1.00 0.00 0.00 64.86 65.67 2cra h ILE 40 Cb 0.49 0.06 -0.01 0.00 -0.74 0.00 0.00 36.82 36.62 2cra h ILE 40 CO 0.03 0.12 0.15 -1.28 0.00 0.00 0.00 178.15 177.17 2cra h SER 41 N 0.65 0.00 0.05 1.72 0.87 -1.26 0.24 113.55 115.81 2cra h SER 41 Ca 0.49 0.00 -0.37 0.00 -1.23 0.00 0.00 61.79 60.68 2cra h SER 41 Cb 0.87 0.00 -0.04 0.00 -0.44 0.00 0.00 62.40 62.79 2cra h SER 41 CO -0.24 0.00 -2.10 0.00 -0.53 0.00 0.00 176.83 173.96 2cra n ALA 42 N -2.43 1.08 -0.31 6.23 0.00 0.83 -0.79 120.51 125.11 2cra n ALA 42 Ca 0.01 -0.80 -0.05 0.00 0.00 0.00 0.00 53.44 52.61 2cra n ALA 42 Cb 0.28 -0.37 0.08 0.00 0.00 0.00 0.00 19.45 19.43 2cra n ALA 42 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2cra h ALA 43 N -0.20 1.08 -0.26 0.00 0.00 -0.61 -2.73 119.26 116.54 2cra h ALA 43 Ca -0.50 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.27 2cra h ALA 43 Cb 1.81 -0.33 0.00 0.00 0.00 0.00 0.00 17.79 19.27 2cra h ALA 43 CO -0.09 0.61 0.00 0.25 0.00 0.00 0.00 179.25 180.02 2cra n THR 44 N -4.36 0.44 -3.75 0.00 -2.24 0.80 -4.94 114.28 100.23 2cra n THR 44 Ca 0.08 -0.72 -0.29 0.00 -2.27 0.00 0.00 64.05 60.86 2cra n THR 44 Cb 0.11 0.99 0.01 0.00 -2.10 0.00 0.00 70.33 69.34 2cra n THR 44 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 2cra n SER 45 N 1.07 -4.45 -4.77 3.42 7.64 -0.85 -4.92 113.62 110.76 2cra n SER 45 Ca 0.14 -0.67 -0.24 0.00 1.01 0.00 0.00 58.87 59.11 2cra n SER 45 Cb 0.49 -3.59 -0.06 0.00 -1.01 0.00 0.00 64.21 60.03 2cra n SER 45 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 2cra s LEU 46 N -7.03 3.17 0.23 -3.43 1.43 0.03 -4.96 118.68 108.11 2cra s LEU 46 Ca 0.58 -1.02 -0.07 0.00 -1.03 0.00 0.00 54.13 52.60 2cra s LEU 46 Cb -0.30 -1.56 -0.06 0.00 0.03 0.00 0.00 46.19 44.30 2cra s LEU 46 CO 0.72 -0.57 0.51 -0.55 0.23 0.00 0.00 176.35 176.69 2cra s SER 47 N -3.95 6.54 0.31 2.29 0.15 -1.26 -4.19 113.70 113.59 2cra s SER 47 Ca 0.42 0.78 0.06 0.00 0.70 0.00 0.00 55.95 57.91 2cra s SER 47 Cb 0.02 -2.17 0.73 0.00 -1.71 0.00 0.00 66.02 62.89 2cra s SER 47 CO 0.24 -0.08 1.80 -0.33 1.20 0.00 0.00 173.24 176.07 2cra h GLU 48 N 2.35 0.77 -0.02 5.44 5.08 -1.95 -0.99 114.58 125.26 2cra h GLU 48 Ca -0.47 -0.05 -0.01 0.00 -1.00 0.00 0.00 59.36 57.84 2cra h GLU 48 Cb 1.17 -0.17 -0.00 0.00 0.50 0.00 0.00 28.75 30.25 2cra h GLU 48 CO 0.69 0.51 -0.01 -0.09 -1.00 0.00 0.00 179.01 179.11 2cra h ARG 49 N 0.79 0.04 -0.24 2.33 9.65 -1.97 -2.80 114.38 122.18 2cra h ARG 49 Ca 0.55 -0.02 0.06 0.00 -1.10 0.00 0.00 59.98 59.47 2cra h ARG 49 Cb 0.81 0.00 -0.07 0.00 -1.39 0.00 0.00 29.97 29.33 2cra h ARG 49 CO -0.33 0.49 -0.21 1.96 2.80 0.00 0.00 179.97 184.68 2cra h GLN 50 N -0.42 -0.21 -0.73 0.20 4.20 -1.72 -0.81 115.11 115.62 2cra h GLN 50 Ca 0.00 0.01 0.11 0.00 0.06 0.00 0.00 58.65 58.83 2cra h GLN 50 Cb 0.49 0.05 -0.08 0.00 0.30 0.00 0.00 27.48 28.24 2cra h GLN 50 CO 0.00 -0.14 0.35 0.82 -0.67 0.00 0.00 178.83 179.19 2cra h ILE 51 N -0.22 0.80 -0.11 2.54 2.04 -1.27 -2.00 117.51 119.30 2cra h ILE 51 Ca 0.14 -0.20 0.00 0.00 1.00 0.00 0.00 64.86 65.80 2cra h ILE 51 Cb 0.43 0.18 -0.01 0.00 -0.74 0.00 0.00 36.82 36.68 2cra h ILE 51 CO -0.37 0.10 0.06 0.74 0.00 0.00 0.00 178.15 178.69 2cra h THR 52 N 0.57 1.00 -0.52 -0.27 2.02 -1.00 -1.95 112.91 112.77 2cra h THR 52 Ca 0.37 -0.04 0.10 0.00 0.77 0.00 0.00 66.41 67.61 2cra h THR 52 Cb 0.44 0.87 -0.08 0.00 -1.74 0.00 0.00 68.15 67.63 2cra h THR 52 CO -0.30 0.02 0.01 0.40 0.37 0.00 0.00 175.52 176.03 2cra h ILE 53 N 0.12 0.60 -0.61 3.11 2.04 -0.47 -0.08 117.51 122.23 2cra h ILE 53 Ca 0.04 -0.05 0.01 0.00 1.00 0.00 0.00 64.86 65.86 2cra h ILE 53 Cb 0.00 0.46 -0.03 0.00 -0.74 0.00 0.00 36.82 36.51 2cra h ILE 53 CO -0.03 0.02 0.40 -0.25 0.00 0.00 0.00 178.15 178.30 2cra h TRP 54 N 0.13 0.76 -0.07 1.37 7.01 -1.18 -0.61 115.95 123.36 2cra h TRP 54 Ca 0.26 0.02 -0.03 0.00 2.11 0.00 0.00 58.89 61.26 2cra h TRP 54 Cb 0.40 -0.26 -0.01 0.00 -2.10 0.00 0.00 29.16 27.20 2cra h TRP 54 CO -0.31 0.48 -0.08 0.74 -2.79 0.00 0.00 178.44 176.48 2cra h PHE 55 N 0.82 0.10 0.13 2.65 -1.00 -0.45 -2.15 116.94 117.05 2cra h PHE 55 Ca 0.22 -0.01 -0.01 0.00 2.81 0.00 0.00 57.97 60.99 2cra h PHE 55 Cb -0.09 -0.03 0.00 0.00 3.61 0.00 0.00 35.95 39.44 2cra h PHE 55 CO -0.03 0.18 -0.06 1.96 -1.61 0.00 0.00 178.31 178.75 2cra h GLN 56 N 0.10 -0.17 -0.57 1.51 1.08 -0.19 -3.04 115.11 113.82 2cra h GLN 56 Ca 0.02 0.01 0.17 0.00 -1.45 0.00 0.00 58.65 57.40 2cra h GLN 56 Cb 0.21 0.04 -0.02 0.00 -0.05 0.00 0.00 27.48 27.65 2cra h GLN 56 CO 0.01 0.26 0.46 -0.91 -0.95 0.00 0.00 178.83 177.70 2cra h ASN 57 N -0.91 0.00 -0.17 1.46 2.35 -1.03 0.22 115.58 117.49 2cra h ASN 57 Ca -0.02 0.00 -0.07 0.00 -0.55 0.00 0.00 56.30 55.66 2cra h ASN 57 Cb 0.51 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 38.88 2cra h ASN 57 CO 0.03 0.00 -0.18 -0.09 -1.65 0.00 0.00 177.43 175.54 2cra h ARG 58 N 0.00 0.43 -0.02 0.81 9.65 -1.41 -2.17 114.38 121.66 2cra h ARG 58 Ca 0.27 -0.23 -0.02 0.00 -1.10 0.00 0.00 59.98 58.90 2cra h ARG 58 Cb 1.18 0.01 0.00 0.00 -1.39 0.00 0.00 29.97 29.77 2cra h ARG 58 CO -0.00 0.80 -0.09 0.00 2.80 0.00 0.00 179.97 183.48 2cra h ARG 59 N 0.07 0.09 -0.04 0.20 2.47 -0.95 -3.15 114.38 113.08 2cra h ARG 59 Ca 0.03 -0.07 0.01 0.00 -1.26 0.00 0.00 59.98 58.68 2cra h ARG 59 Cb 0.73 0.02 -0.00 0.00 -1.65 0.00 0.00 29.97 29.06 2cra h ARG 59 CO 0.04 0.74 0.09 0.28 0.56 0.00 0.00 179.97 181.69 2cra h VAL 60 N -0.55 0.22 -0.34 2.04 2.07 -0.76 -2.53 116.25 116.41 2cra h VAL 60 Ca -0.01 0.00 0.07 0.00 0.82 0.00 0.00 66.70 67.59 2cra h VAL 60 Cb 0.76 0.92 -0.07 0.00 -1.52 0.00 0.00 31.29 31.38 2cra h VAL 60 CO 0.02 0.00 -0.15 0.50 0.02 0.00 0.00 177.57 177.96 2cra h LYS 61 N 0.00 -0.09 0.00 1.57 3.64 -1.34 0.29 116.57 120.64 2cra h LYS 61 Ca 0.02 0.01 -0.06 0.00 -1.27 0.00 0.00 60.65 59.34 2cra h LYS 61 Cb 0.19 0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 32.02 2cra h LYS 61 CO -0.00 -0.06 -0.29 1.05 -2.27 0.00 0.00 179.45 177.88 2cra h GLU 62 N -0.09 0.00 -0.00 1.90 4.11 -1.62 -2.82 114.58 116.06 2cra h GLU 62 Ca 0.17 0.00 -0.15 0.00 0.07 0.00 0.00 59.36 59.45 2cra h GLU 62 Cb 0.35 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.58 2cra h GLU 62 CO -0.40 0.29 -0.73 0.87 0.07 0.00 0.00 179.01 179.11 2cra h LYS 63 N 0.00 0.00 -6.56 1.06 1.79 -0.98 -3.44 116.57 108.44 2cra h LYS 63 Ca -0.00 -0.00 -0.53 0.00 -2.18 0.00 0.00 60.65 57.94 2cra h LYS 63 Cb 0.75 0.00 0.05 0.00 -1.58 0.00 0.00 32.23 31.45 2cra h LYS 63 CO 0.04 0.73 1.07 1.63 -1.08 0.00 0.00 179.45 181.84 2cra n LYS 64 N -3.67 2.78 -4.75 3.15 5.02 0.82 -4.99 118.16 116.52 2cra n LYS 64 Ca -0.01 1.01 -0.33 0.00 -2.02 0.00 0.00 58.31 56.96 2cra n LYS 64 Cb 0.71 -2.88 -0.12 0.00 -0.02 0.00 0.00 35.03 32.72 2cra n LYS 64 CO 0.00 0.00 0.00 -1.54 -0.52 0.00 0.00 177.40 175.34 2cra s SER 65 N 2.17 4.35 0.00 4.39 1.04 -1.26 -5.02 113.70 119.37 2cra s SER 65 Ca 0.80 -0.11 0.00 0.00 0.48 0.00 0.00 55.95 57.12 2cra s SER 65 Cb -0.49 -1.01 0.00 0.00 0.10 0.00 0.00 66.02 64.62 2cra s SER 65 CO 0.36 0.35 0.00 0.61 0.98 0.00 0.00 173.24 175.54 2cra n GLY 66 N 2.25 -2.36 0.21 7.32 0.00 -1.26 -4.99 105.19 106.36 2cra n GLY 66 Ca -0.18 -1.24 -0.06 0.00 0.00 0.00 0.00 46.02 44.55 2cra n GLY 66 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2cra h PRO 67 N 0.00 0.46 -6.10 1.61 0.13 -1.98 -3.48 132.00 122.64 2cra h PRO 67 Ca 0.00 -0.24 -0.42 0.00 -0.87 0.00 0.00 66.00 64.47 2cra h PRO 67 Cb 0.00 0.01 0.05 0.00 0.13 0.00 0.00 31.00 31.19 2cra h PRO 67 CO 0.00 0.81 -0.83 0.43 -0.23 0.00 0.00 178.00 178.18 2cra n SER 68 N -4.01 -1.14 -2.27 1.44 7.64 -1.26 -0.70 113.62 113.32 2cra n SER 68 Ca -0.02 -0.82 -0.17 0.00 1.01 0.00 0.00 58.87 58.87 2cra n SER 68 Cb 0.52 -4.04 -0.02 0.00 -1.01 0.00 0.00 64.21 59.67 2cra n SER 68 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 2cra n SER 69 N -3.05 -4.96 0.00 6.43 7.64 -1.26 -5.30 113.62 113.11 2cra n SER 69 Ca -0.30 0.13 0.00 0.00 1.01 0.00 0.00 58.87 59.71 2cra n SER 69 Cb 0.68 -4.21 0.00 0.00 -1.01 0.00 0.00 64.21 59.67 2cra n SER 69 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64