#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2cra s SER 2 N 0.00 0.34 -0.54 1.61 1.04 -1.26 -5.09 113.70 109.79 2cra s SER 2 Ca 0.00 -0.86 0.07 0.00 0.48 0.00 0.00 55.95 55.64 2cra s SER 2 Cb 0.00 0.26 0.30 0.00 0.10 0.00 0.00 66.02 66.68 2cra s SER 2 CO 0.00 -0.65 0.79 -1.20 0.98 0.00 0.00 173.24 173.16 2cra n SER 3 N 0.04 3.13 -4.76 7.02 7.64 -1.26 -5.10 113.62 120.33 2cra n SER 3 Ca -0.14 -3.38 -0.36 0.00 1.01 0.00 0.00 58.87 56.00 2cra n SER 3 Cb 0.62 -0.62 0.01 0.00 -1.01 0.00 0.00 64.21 63.21 2cra n SER 3 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 2cra s GLY 4 N -2.69 2.74 -0.53 0.23 0.00 -1.26 -5.00 107.32 100.81 2cra s GLY 4 Ca 0.43 0.97 -0.03 0.00 0.00 0.00 0.00 44.72 46.09 2cra s GLY 4 CO -0.08 1.38 0.33 -0.45 0.00 0.00 0.00 173.10 174.28 2cra s SER 5 N -1.50 5.21 -0.03 1.64 0.15 -1.26 -5.05 113.70 112.86 2cra s SER 5 Ca 0.71 -2.51 -0.00 0.00 0.70 0.00 0.00 55.95 54.85 2cra s SER 5 Cb -0.29 -1.83 0.03 0.00 -1.71 0.00 0.00 66.02 62.21 2cra s SER 5 CO 0.33 -0.44 0.03 -0.44 1.20 0.00 0.00 173.24 173.92 2cra s SER 6 N 1.14 0.52 0.00 5.45 0.01 -1.26 -4.95 113.70 114.60 2cra s SER 6 Ca 0.13 0.03 0.00 0.00 1.31 0.00 0.00 55.95 57.42 2cra s SER 6 Cb -0.22 -0.15 0.00 0.00 0.21 0.00 0.00 66.02 65.87 2cra s SER 6 CO -0.04 -0.16 0.00 0.61 0.41 0.00 0.00 173.24 174.07 2cra n GLY 7 N 4.52 0.56 0.02 3.44 0.00 -1.26 -5.09 105.19 107.37 2cra n GLY 7 Ca -0.20 -0.71 -0.00 0.00 0.00 0.00 0.00 46.02 45.11 2cra n GLY 7 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 2cra h ARG 8 N 0.00 -0.01 -3.54 1.61 9.65 -2.05 -3.38 114.38 116.67 2cra h ARG 8 Ca 0.00 0.00 -0.65 0.00 -1.10 0.00 0.00 59.98 58.24 2cra h ARG 8 Cb 0.00 0.00 0.01 0.00 -1.39 0.00 0.00 29.97 28.59 2cra h ARG 8 CO 0.00 -0.01 3.31 1.17 2.80 0.00 0.00 179.97 187.25 2cra n LYS 9 N -3.04 3.00 -1.82 0.20 4.81 -1.26 -4.94 118.16 115.11 2cra n LYS 9 Ca -0.00 -2.21 -0.31 0.00 -0.87 0.00 0.00 58.31 54.92 2cra n LYS 9 Cb 0.00 -2.94 0.02 0.00 0.02 0.00 0.00 35.03 32.13 2cra n LYS 9 CO 0.00 0.00 0.00 0.15 1.17 0.00 0.00 177.40 178.72 2cra s LYS 10 N 2.95 3.44 0.41 1.64 -0.14 -1.26 -5.09 119.74 121.69 2cra s LYS 10 Ca 0.57 0.82 0.04 0.00 -1.36 0.00 0.00 55.97 56.04 2cra s LYS 10 Cb 0.15 -2.06 -0.01 0.00 -1.68 0.00 0.00 37.83 34.23 2cra s LYS 10 CO -0.05 -0.69 0.13 0.54 -0.76 0.00 0.00 175.35 174.52 2cra n ARG 11 N -2.78 0.61 -1.63 1.68 3.00 -1.26 -5.11 116.66 111.18 2cra n ARG 11 Ca 0.06 -3.38 -0.46 0.00 -0.01 0.00 0.00 57.85 54.06 2cra n ARG 11 Cb 0.54 1.76 -0.03 0.00 0.00 0.00 0.00 32.46 34.72 2cra n ARG 11 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.63 176.74 2cra n ILE 12 N -0.92 1.05 -0.99 0.55 2.08 -1.26 -4.98 119.36 114.88 2cra n ILE 12 Ca -0.07 -0.26 -0.00 0.00 0.56 0.00 0.00 62.75 62.98 2cra n ILE 12 Cb 0.60 -1.17 0.00 0.00 -0.75 0.00 0.00 39.64 38.32 2cra n ILE 12 CO 0.00 0.00 0.00 -0.81 0.56 0.00 0.00 176.55 176.30 2cra n PRO 13 N 1.75 -0.05 -2.11 0.38 -0.04 -1.26 -4.92 135.00 128.76 2cra n PRO 13 Ca 0.13 -0.02 -0.00 0.00 -0.04 0.00 0.00 63.50 63.57 2cra n PRO 13 Cb 0.29 -0.01 -0.00 0.00 -0.04 0.00 0.00 33.50 33.73 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 -2.03 -3.96 -1.13 0.54 4.01 -1.26 -4.97 117.16 108.36 2cra n TYR 14 Ca 0.00 2.35 -0.30 0.00 -0.16 0.00 0.00 57.90 59.79 2cra n TYR 14 Cb 0.01 -3.52 0.14 0.00 -0.31 0.00 0.00 39.34 35.66 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 -0.49 3.50 0.40 7.72 0.15 -1.26 -4.63 113.70 119.09 2cra s SER 15 Ca -0.00 1.63 0.17 0.00 0.70 0.00 0.00 55.95 58.45 2cra s SER 15 Cb 0.00 -2.29 1.06 0.00 -1.71 0.00 0.00 66.02 63.07 2cra s SER 15 CO 0.00 -2.64 1.83 0.07 1.20 0.00 0.00 173.24 173.70 2cra h LYS 16 N -1.55 0.42 -0.26 5.44 2.10 -1.98 0.75 116.57 121.49 2cra h LYS 16 Ca -0.48 -0.03 -0.19 0.00 -2.00 0.00 0.00 60.65 57.95 2cra h LYS 16 Cb 1.27 -0.10 0.00 0.00 -0.90 0.00 0.00 32.23 32.51 2cra h LYS 16 CO 0.52 0.28 -0.58 0.78 -2.00 0.00 0.00 179.45 178.45 2cra h GLY 17 N 0.44 0.93 0.99 0.07 0.00 -1.99 -1.61 103.07 101.89 2cra h GLY 17 Ca 0.51 -1.13 -0.11 0.00 0.00 0.00 0.00 47.33 46.61 2cra h GLY 17 CO -0.22 1.01 -0.18 1.46 0.00 0.00 0.00 176.54 178.61 2cra h GLN 18 N 0.61 0.77 0.00 4.80 4.20 -1.35 -2.91 115.11 121.23 2cra h GLN 18 Ca -0.00 -0.34 -0.05 0.00 0.06 0.00 0.00 58.65 58.32 2cra h GLN 18 Cb 1.19 -0.02 -0.01 0.00 0.30 0.00 0.00 27.48 28.95 2cra h GLN 18 CO 0.13 0.96 -0.26 -0.07 -0.67 0.00 0.00 178.83 178.92 2cra h LEU 19 N 0.56 0.00 -1.63 1.46 3.38 -0.99 -2.95 115.31 115.15 2cra h LEU 19 Ca 0.08 0.00 0.09 0.00 0.09 0.00 0.00 57.88 58.14 2cra h LEU 19 Cb 0.73 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.45 2cra h LEU 19 CO 0.05 0.26 0.39 -0.09 0.09 0.00 0.00 178.44 179.14 2cra h ARG 20 N 0.00 0.42 0.14 1.13 9.65 -1.08 0.21 114.38 124.85 2cra h ARG 20 Ca -0.00 -0.03 -0.35 0.00 -1.10 0.00 0.00 59.98 58.50 2cra h ARG 20 Cb 0.76 -0.09 -0.01 0.00 -1.39 0.00 0.00 29.97 29.23 2cra h ARG 20 CO 0.03 0.28 -1.84 0.93 2.80 0.00 0.00 179.97 182.17 2cra h GLU 21 N 0.43 0.29 -0.00 0.20 4.39 -1.60 -3.11 114.58 115.18 2cra h GLU 21 Ca 0.26 -0.50 -0.00 0.00 0.34 0.00 0.00 59.36 59.46 2cra h GLU 21 Cb 0.46 0.19 -0.00 0.00 -0.10 0.00 0.00 28.75 29.30 2cra h GLU 21 CO -0.07 1.19 0.00 -0.07 -1.16 0.00 0.00 179.01 178.90 2cra h LEU 22 N 0.08 0.01 -1.00 1.33 3.38 -1.28 0.78 115.31 118.61 2cra h LEU 22 Ca -0.36 -0.14 -0.07 0.00 0.09 0.00 0.00 57.88 57.40 2cra h LEU 22 Cb 2.06 -0.00 -0.02 0.00 0.09 0.00 0.00 40.66 42.79 2cra h LEU 22 CO 0.13 0.14 -0.05 -0.33 0.09 0.00 0.00 178.44 178.42 2cra h GLU 23 N -0.13 0.66 0.51 1.13 5.08 -0.78 -1.45 114.58 119.59 2cra h GLU 23 Ca 0.00 -0.18 -0.02 0.00 -1.00 0.00 0.00 59.36 58.15 2cra h GLU 23 Cb 0.14 -0.07 0.00 0.00 0.50 0.00 0.00 28.75 29.32 2cra h GLU 23 CO -0.00 0.72 -0.24 -0.09 -1.00 0.00 0.00 179.01 178.40 2cra h ARG 24 N 0.62 -0.65 -0.86 2.33 2.43 -1.43 -1.34 114.38 115.47 2cra h ARG 24 Ca 0.12 0.04 0.18 0.00 -0.81 0.00 0.00 59.98 59.51 2cra h ARG 24 Cb 0.47 0.15 -0.06 0.00 -0.42 0.00 0.00 29.97 30.10 2cra h ARG 24 CO 0.02 -0.44 0.57 0.93 -1.51 0.00 0.00 179.97 179.54 2cra h GLU 25 N -0.97 0.46 -0.13 0.20 3.07 -0.88 -1.10 114.58 115.23 2cra h GLU 25 Ca -0.07 -0.03 -0.02 0.00 -0.50 0.00 0.00 59.36 58.74 2cra h GLU 25 Cb 0.52 -0.10 -0.00 0.00 -0.84 0.00 0.00 28.75 28.32 2cra h GLU 25 CO 0.11 0.30 -0.02 -0.92 -1.40 0.00 0.00 179.01 177.09 2cra h TYR 26 N 0.47 0.26 0.00 4.33 3.20 -1.25 -1.46 116.97 122.52 2cra h TYR 26 Ca 0.44 -0.05 -0.00 0.00 3.14 0.00 0.00 58.73 62.26 2cra h TYR 26 Cb 0.99 -0.07 -0.00 0.00 1.54 0.00 0.00 36.73 39.19 2cra h TYR 26 CO -0.00 0.50 -0.01 0.00 -1.64 0.00 0.00 178.16 177.02 2cra h ALA 27 N 0.72 1.46 0.04 1.82 0.00 -0.03 -1.45 119.26 121.83 2cra h ALA 27 Ca 0.03 -0.01 -0.26 0.00 0.00 0.00 0.00 54.91 54.68 2cra h ALA 27 Cb 0.41 -0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.17 2cra h ALA 27 CO 0.01 0.01 -1.36 0.00 0.00 0.00 0.00 179.25 177.91 2cra h ALA 28 N 1.99 0.43 -1.88 0.00 0.00 -1.08 -3.47 119.26 115.26 2cra h ALA 28 Ca -0.00 -1.12 0.04 0.00 0.00 0.00 0.00 54.91 53.83 2cra h ALA 28 Cb 0.02 0.15 -0.23 0.00 0.00 0.00 0.00 17.79 17.74 2cra h ALA 28 CO 0.00 1.30 0.11 0.54 0.00 0.00 0.00 179.25 181.20 2cra s ASN 29 N -6.64 -0.84 0.22 0.00 4.22 -0.55 -5.04 114.94 106.31 2cra s ASN 29 Ca -0.04 1.34 -0.09 0.00 -2.14 0.00 0.00 52.86 51.93 2cra s ASN 29 Cb 0.08 1.34 0.19 0.00 1.28 0.00 0.00 41.25 44.15 2cra s ASN 29 CO 0.83 -0.21 1.88 0.11 -2.04 0.00 0.00 177.10 177.67 2cra h LYS 30 N 6.73 0.98 -5.54 3.55 1.57 -1.84 -3.37 116.57 118.66 2cra h LYS 30 Ca -0.30 -0.06 -0.67 0.00 -1.87 0.00 0.00 60.65 57.75 2cra h LYS 30 Cb 1.22 -0.22 -0.29 0.00 0.08 0.00 0.00 32.23 33.01 2cra h LYS 30 CO 0.17 0.65 -0.83 -0.06 -0.57 0.00 0.00 179.45 178.81 2cra s PHE 31 N -6.12 2.65 0.19 -1.35 0.40 -1.26 -4.95 117.98 107.53 2cra s PHE 31 Ca -0.13 -0.76 0.03 0.00 -0.60 0.00 0.00 56.93 55.48 2cra s PHE 31 Cb 0.16 -1.73 0.03 0.00 0.51 0.00 0.00 43.02 41.98 2cra s PHE 31 CO 0.78 -0.25 0.25 0.44 0.70 0.00 0.00 175.22 177.15 2cra n ILE 32 N 3.31 0.00 -4.44 0.64 -5.35 -1.26 -5.13 119.36 107.13 2cra n ILE 32 Ca -0.18 -0.65 -0.22 0.00 -0.27 0.00 0.00 62.75 61.43 2cra n ILE 32 Cb 0.53 -0.79 -0.10 0.00 -1.74 0.00 0.00 39.64 37.53 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 -0.27 1.82 0.61 7.28 -1.32 -1.26 -4.99 115.64 117.51 2cra s THR 33 Ca 0.19 -2.17 0.31 0.00 -1.21 0.00 0.00 61.69 58.82 2cra s THR 33 Cb -0.02 -2.43 0.37 0.00 -1.51 0.00 0.00 72.50 68.91 2cra s THR 33 CO 0.12 -0.32 2.13 0.11 -2.21 0.00 0.00 174.62 174.45 2cra h LYS 34 N 2.27 0.00 0.00 7.08 1.57 -2.01 0.36 116.57 125.83 2cra h LYS 34 Ca -0.40 0.00 -0.03 0.00 -1.87 0.00 0.00 60.65 58.35 2cra h LYS 34 Cb 1.24 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 33.54 2cra h LYS 34 CO 0.67 0.00 -0.15 0.22 -0.57 0.00 0.00 179.45 179.62 2cra h ASP 35 N 0.00 0.00 0.05 0.86 1.82 -2.00 -2.93 116.42 114.22 2cra h ASP 35 Ca 0.06 0.00 -0.38 0.00 -0.39 0.00 0.00 57.03 56.32 2cra h ASP 35 Cb 0.40 0.00 -0.05 0.00 0.68 0.00 0.00 39.33 40.37 2cra h ASP 35 CO -0.00 0.15 -2.27 1.17 -1.61 0.00 0.00 179.24 176.68 2cra n LYS 36 N -3.15 0.70 -0.05 0.28 3.00 0.96 -4.22 118.16 115.69 2cra n LYS 36 Ca 0.03 0.20 -0.00 0.00 -0.00 0.00 0.00 58.31 58.54 2cra n LYS 36 Cb 0.57 -1.60 0.28 0.00 0.00 0.00 0.00 35.03 34.28 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 0.03 0.63 -0.84 1.64 2.43 -0.83 -2.40 114.38 115.04 2cra h ARG 37 Ca -0.51 -0.11 0.02 0.00 -0.81 0.00 0.00 59.98 58.57 2cra h ARG 37 Cb 1.96 -0.10 -0.05 0.00 -0.42 0.00 0.00 29.97 31.36 2cra h ARG 37 CO -0.01 0.58 0.55 0.07 -1.51 0.00 0.00 179.97 179.65 2cra h ARG 38 N 0.62 1.06 0.25 0.20 0.11 -1.70 -1.27 114.38 113.65 2cra h ARG 38 Ca 0.14 -0.06 -0.01 0.00 0.10 0.00 0.00 59.98 60.15 2cra h ARG 38 Cb 0.24 -0.24 0.00 0.00 1.11 0.00 0.00 29.97 31.08 2cra h ARG 38 CO -0.00 0.70 -0.12 0.87 0.10 0.00 0.00 179.97 181.52 2cra h LYS 39 N 1.09 -0.32 -0.87 0.08 1.79 -1.63 -3.08 116.57 113.62 2cra h LYS 39 Ca 0.33 0.02 0.22 0.00 -2.18 0.00 0.00 60.65 59.04 2cra h LYS 39 Cb -0.05 0.07 -0.05 0.00 -1.58 0.00 0.00 32.23 30.62 2cra h LYS 39 CO -0.10 0.03 0.60 0.82 -1.08 0.00 0.00 179.45 179.72 2cra h ILE 40 N -0.76 0.63 -0.39 1.86 2.04 -1.32 0.35 117.51 119.93 2cra h ILE 40 Ca -0.03 -0.08 -0.03 0.00 1.00 0.00 0.00 64.86 65.72 2cra h ILE 40 Cb 0.50 0.39 -0.02 0.00 -0.74 0.00 0.00 36.82 36.95 2cra h ILE 40 CO 0.06 0.04 0.10 -1.28 0.00 0.00 0.00 178.15 177.07 2cra h SER 41 N 0.22 0.52 0.49 1.72 0.87 -1.14 0.15 113.55 116.37 2cra h SER 41 Ca 0.44 -0.07 -0.24 0.00 -1.23 0.00 0.00 61.79 60.68 2cra h SER 41 Cb 1.36 -0.13 -0.04 0.00 -0.44 0.00 0.00 62.40 63.15 2cra h SER 41 CO -0.10 0.51 -1.69 0.00 -0.53 0.00 0.00 176.83 175.02 2cra n ALA 42 N -2.47 1.71 0.12 6.23 0.00 0.85 -0.53 120.51 126.41 2cra n ALA 42 Ca 0.02 -0.74 -0.02 0.00 0.00 0.00 0.00 53.44 52.70 2cra n ALA 42 Cb 0.18 -0.80 0.10 0.00 0.00 0.00 0.00 19.45 18.93 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 1.20 0.78 0.00 0.00 0.00 -0.22 -3.26 119.26 117.75 2cra h ALA 43 Ca -0.26 -0.63 0.00 0.00 0.00 0.00 0.00 54.91 54.02 2cra h ALA 43 Cb 1.84 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 19.52 2cra h ALA 43 CO 0.06 0.87 -0.00 0.25 0.00 0.00 0.00 179.25 180.42 2cra n THR 44 N -3.60 1.05 -2.57 0.00 -2.24 0.49 -4.87 114.28 102.55 2cra n THR 44 Ca -0.00 -1.08 -0.14 0.00 -2.27 0.00 0.00 64.05 60.56 2cra n THR 44 Cb 0.71 0.45 -0.00 0.00 -2.10 0.00 0.00 70.33 69.38 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 -0.56 -3.99 -4.96 3.42 7.64 -0.47 -4.89 113.62 109.81 2cra n SER 45 Ca 0.01 0.11 -0.20 0.00 1.01 0.00 0.00 58.87 59.79 2cra n SER 45 Cb 0.28 -3.37 0.01 0.00 -1.01 0.00 0.00 64.21 60.11 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 -5.76 3.27 0.14 -3.43 1.43 0.31 -4.97 118.68 109.66 2cra s LEU 46 Ca 0.06 -0.78 0.02 0.00 -1.03 0.00 0.00 54.13 52.41 2cra s LEU 46 Cb -0.03 -1.95 -0.04 0.00 0.03 0.00 0.00 46.19 44.21 2cra s LEU 46 CO 0.07 -0.94 0.27 -0.44 0.23 0.00 0.00 176.35 175.54 2cra s SER 47 N -4.35 6.30 0.40 2.29 0.01 -1.26 -4.29 113.70 112.79 2cra s SER 47 Ca 0.51 0.16 0.13 0.00 1.31 0.00 0.00 55.95 58.06 2cra s SER 47 Cb -0.05 -1.89 0.95 0.00 0.21 0.00 0.00 66.02 65.23 2cra s SER 47 CO 0.31 0.06 1.90 -0.33 0.41 0.00 0.00 173.24 175.59 2cra h GLU 48 N 2.23 0.52 -0.02 12.44 5.08 -1.95 -0.86 114.58 132.01 2cra h GLU 48 Ca -0.48 -0.03 -0.06 0.00 -1.00 0.00 0.00 59.36 57.79 2cra h GLU 48 Cb 1.19 -0.12 0.00 0.00 0.50 0.00 0.00 28.75 30.33 2cra h GLU 48 CO 0.69 0.35 -0.20 -0.09 -1.00 0.00 0.00 179.01 178.75 2cra h ARG 49 N 0.54 0.18 -0.23 2.33 9.65 -1.98 -2.98 114.38 121.89 2cra h ARG 49 Ca 0.40 -0.16 0.05 0.00 -1.10 0.00 0.00 59.98 59.17 2cra h ARG 49 Cb 0.78 0.04 -0.05 0.00 -1.39 0.00 0.00 29.97 29.35 2cra h ARG 49 CO -0.15 0.85 -0.11 1.96 2.80 0.00 0.00 179.97 185.32 2cra h GLN 50 N -0.43 -0.07 -0.84 0.20 4.20 -1.75 -0.90 115.11 115.51 2cra h GLN 50 Ca -0.02 0.01 0.09 0.00 0.06 0.00 0.00 58.65 58.78 2cra h GLN 50 Cb 0.90 0.02 -0.07 0.00 0.30 0.00 0.00 27.48 28.63 2cra h GLN 50 CO 0.04 -0.05 0.49 0.82 -0.67 0.00 0.00 178.83 179.46 2cra h ILE 51 N -0.08 0.95 0.14 2.54 2.04 -1.28 -2.10 117.51 119.72 2cra h ILE 51 Ca 0.12 -0.29 -0.01 0.00 1.00 0.00 0.00 64.86 65.68 2cra h ILE 51 Cb 0.26 0.03 0.00 0.00 -0.74 0.00 0.00 36.82 36.37 2cra h ILE 51 CO -0.28 0.15 -0.07 0.74 0.00 0.00 0.00 178.15 178.70 2cra h THR 52 N 0.85 0.90 -0.41 -0.27 2.02 -1.17 -2.18 112.91 112.64 2cra h THR 52 Ca 0.39 -0.16 0.08 0.00 0.77 0.00 0.00 66.41 67.50 2cra h THR 52 Cb 0.31 0.99 -0.08 0.00 -1.74 0.00 0.00 68.15 67.64 2cra h THR 52 CO -0.23 0.04 -0.12 0.40 0.37 0.00 0.00 175.52 175.98 2cra h ILE 53 N -0.27 0.55 -0.79 3.11 2.04 -0.75 -0.33 117.51 121.07 2cra h ILE 53 Ca -0.02 0.00 0.07 0.00 1.00 0.00 0.00 64.86 65.91 2cra h ILE 53 Cb 0.21 0.55 -0.06 0.00 -0.74 0.00 0.00 36.82 36.78 2cra h ILE 53 CO 0.03 0.00 0.46 -0.25 0.00 0.00 0.00 178.15 178.40 2cra h TRP 54 N -0.03 0.85 0.00 1.37 7.01 -1.28 0.22 115.95 124.09 2cra h TRP 54 Ca 0.20 0.03 -0.05 0.00 2.11 0.00 0.00 58.89 61.18 2cra h TRP 54 Cb 0.33 -0.26 -0.01 0.00 -2.10 0.00 0.00 29.16 27.12 2cra h TRP 54 CO -0.38 0.39 -0.23 0.74 -2.79 0.00 0.00 178.44 176.17 2cra h PHE 55 N 0.82 0.00 0.08 2.65 -1.00 -0.53 -2.25 116.94 116.72 2cra h PHE 55 Ca 0.36 0.00 -0.00 0.00 2.81 0.00 0.00 57.97 61.14 2cra h PHE 55 Cb 0.26 0.00 0.00 0.00 3.61 0.00 0.00 35.95 39.82 2cra h PHE 55 CO -0.06 0.23 -0.04 1.96 -1.61 0.00 0.00 178.31 178.79 2cra h GLN 56 N 0.00 -0.11 -0.96 1.51 4.20 0.56 -3.20 115.11 117.12 2cra h GLN 56 Ca -0.00 0.01 0.15 0.00 0.06 0.00 0.00 58.65 58.87 2cra h GLN 56 Cb 0.45 0.02 -0.08 0.00 0.30 0.00 0.00 27.48 28.17 2cra h GLN 56 CO 0.03 0.38 0.61 -0.91 -0.67 0.00 0.00 178.83 178.26 2cra h ASN 57 N -0.93 0.75 -0.39 1.46 2.35 -1.02 0.28 115.58 118.08 2cra h ASN 57 Ca -0.01 0.06 0.04 0.00 -0.55 0.00 0.00 56.30 55.83 2cra h ASN 57 Cb 0.53 -0.09 -0.04 0.00 0.05 0.00 0.00 38.32 38.78 2cra h ASN 57 CO 0.02 0.35 0.17 -0.09 -1.65 0.00 0.00 177.43 176.23 2cra h ARG 58 N 0.78 0.35 0.13 0.81 9.65 -1.49 0.21 114.38 124.81 2cra h ARG 58 Ca 0.50 -0.02 -0.01 0.00 -1.10 0.00 0.00 59.98 59.35 2cra h ARG 58 Cb 0.73 -0.08 0.00 0.00 -1.39 0.00 0.00 29.97 29.24 2cra h ARG 58 CO -0.27 0.23 -0.06 0.00 2.80 0.00 0.00 179.97 182.67 2cra h ARG 59 N 0.36 -0.16 -0.85 0.20 3.08 -1.21 -3.27 114.38 112.54 2cra h ARG 59 Ca 0.17 0.01 0.24 0.00 0.07 0.00 0.00 59.98 60.48 2cra h ARG 59 Cb 0.11 0.04 -0.04 0.00 0.08 0.00 0.00 29.97 30.16 2cra h ARG 59 CO -0.15 0.24 0.60 0.28 -1.07 0.00 0.00 179.97 179.88 2cra h VAL 60 N -0.94 0.59 0.74 2.04 2.07 -0.49 -0.80 116.25 119.45 2cra h VAL 60 Ca -0.02 -0.01 -0.03 0.00 0.82 0.00 0.00 66.70 67.46 2cra h VAL 60 Cb 0.48 0.56 -0.01 0.00 -1.52 0.00 0.00 31.29 30.80 2cra h VAL 60 CO 0.03 0.01 -0.50 0.50 0.02 0.00 0.00 177.57 177.63 2cra h LYS 61 N 0.03 -1.13 0.00 1.57 3.64 -0.63 -2.68 116.57 117.37 2cra h LYS 61 Ca 0.40 0.08 -0.07 0.00 -1.27 0.00 0.00 60.65 59.79 2cra h LYS 61 Cb 1.58 0.26 -0.01 0.00 -0.41 0.00 0.00 32.23 33.64 2cra h LYS 61 CO -0.02 -0.75 -0.34 1.05 -2.27 0.00 0.00 179.45 177.12 2cra h GLU 62 N -1.17 0.00 -0.34 1.90 4.11 -1.44 -2.61 114.58 115.02 2cra h GLU 62 Ca -0.10 0.00 0.10 0.00 0.07 0.00 0.00 59.36 59.43 2cra h GLU 62 Cb 0.95 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.19 2cra h GLU 62 CO 0.07 0.34 0.31 0.87 0.07 0.00 0.00 179.01 180.68 2cra h LYS 63 N 0.00 0.00 -4.60 1.06 1.79 -0.85 -3.36 116.57 110.61 2cra h LYS 63 Ca -0.00 0.00 -0.70 0.00 -2.18 0.00 0.00 60.65 57.77 2cra h LYS 63 Cb 0.63 0.00 -0.21 0.00 -1.58 0.00 0.00 32.23 31.07 2cra h LYS 63 CO 0.04 0.00 -0.47 0.15 -1.08 0.00 0.00 179.45 178.10 2cra s LYS 64 N -4.77 3.14 0.52 3.15 3.01 -0.99 -5.06 119.74 118.74 2cra s LYS 64 Ca -0.05 -0.89 -0.21 0.00 -1.01 0.00 0.00 55.97 53.82 2cra s LYS 64 Cb 0.17 -3.85 -0.08 0.00 -1.01 0.00 0.00 37.83 33.06 2cra s LYS 64 CO 0.61 -0.62 0.87 -1.13 0.51 0.00 0.00 175.35 175.60 2cra n SER 65 N 5.10 0.51 -3.35 2.83 3.41 -1.26 -4.97 113.62 115.88 2cra n SER 65 Ca -0.12 0.88 -0.20 0.00 -0.26 0.00 0.00 58.87 59.17 2cra n SER 65 Cb 0.48 -1.32 -0.06 0.00 -0.26 0.00 0.00 64.21 63.05 2cra n SER 65 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2cra n GLY 66 N 1.37 3.40 0.17 5.00 0.00 -1.26 -5.05 105.19 108.82 2cra n GLY 66 Ca 0.11 -2.06 0.02 0.00 0.00 0.00 0.00 46.02 44.09 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 0.00 -5.79 1.61 0.13 -2.02 -3.43 132.00 122.49 2cra h PRO 67 Ca -0.25 0.00 -0.67 0.00 -0.87 0.00 0.00 66.00 64.21 2cra h PRO 67 Cb 0.97 0.00 -0.19 0.00 0.13 0.00 0.00 31.00 31.91 2cra h PRO 67 CO 0.39 0.46 -0.67 -1.54 -0.23 0.00 0.00 178.00 176.42 2cra s SER 68 N -6.83 4.85 -0.26 1.44 1.04 -1.26 -5.05 113.70 107.63 2cra s SER 68 Ca -0.02 -0.02 -0.28 0.00 0.48 0.00 0.00 55.95 56.11 2cra s SER 68 Cb 0.13 -1.47 -0.06 0.00 0.10 0.00 0.00 66.02 64.73 2cra s SER 68 CO 0.73 0.30 2.25 -1.20 0.98 0.00 0.00 173.24 176.30 2cra n SER 69 N 2.68 3.10 0.00 7.02 7.64 -1.26 -5.13 113.62 127.67 2cra n SER 69 Ca -0.18 0.12 0.00 0.00 1.01 0.00 0.00 58.87 59.82 2cra n SER 69 Cb 0.53 -1.55 0.00 0.00 -1.01 0.00 0.00 64.21 62.18 2cra n SER 69 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64