#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 -0.22 1.61 1.04 -1.26 -5.18 113.70 109.35 2cra s SER 2 Ca 0.00 0.49 -0.28 0.00 0.48 0.00 0.00 55.95 56.64 2cra s SER 2 Cb 0.00 0.44 0.14 0.00 0.10 0.00 0.00 66.02 66.70 2cra s SER 2 CO 0.00 -0.23 1.10 -0.55 0.98 0.00 0.00 173.24 174.54 2cra s SER 3 N -0.59 -0.31 -0.42 7.02 0.15 -1.26 -5.12 113.70 113.16 2cra s SER 3 Ca 0.01 0.44 0.00 0.00 0.70 0.00 0.00 55.95 57.11 2cra s SER 3 Cb -0.02 0.39 0.21 0.00 -1.71 0.00 0.00 66.02 64.89 2cra s SER 3 CO -0.03 -0.22 0.95 0.61 1.20 0.00 0.00 173.24 175.75 2cra n GLY 4 N 1.16 -1.11 3.48 9.45 0.00 -1.26 -5.16 105.19 111.75 2cra n GLY 4 Ca -0.09 0.84 -0.26 0.00 0.00 0.00 0.00 46.02 46.51 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 0.62 3.73 -0.02 1.61 0.15 -1.26 -5.14 113.70 113.39 2cra s SER 5 Ca 0.27 -0.80 -0.30 0.00 0.70 0.00 0.00 55.95 55.82 2cra s SER 5 Cb 0.09 -0.42 0.11 0.00 -1.71 0.00 0.00 66.02 64.09 2cra s SER 5 CO -0.09 0.10 1.04 -0.44 1.20 0.00 0.00 173.24 175.05 2cra s SER 6 N -2.88 -0.23 0.00 5.45 0.01 -1.26 -5.19 113.70 109.61 2cra s SER 6 Ca 0.24 -0.10 0.00 0.00 1.31 0.00 0.00 55.95 57.40 2cra s SER 6 Cb -0.08 0.31 0.00 0.00 0.21 0.00 0.00 66.02 66.47 2cra s SER 6 CO 0.12 -0.53 0.00 0.61 0.41 0.00 0.00 173.24 173.85 2cra n GLY 7 N -0.28 4.58 0.49 3.44 0.00 -1.26 -5.07 105.19 107.08 2cra n GLY 7 Ca -0.06 -1.22 -0.20 0.00 0.00 0.00 0.00 46.02 44.55 2cra n GLY 7 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 2cra h ARG 8 N 0.00 -1.14 -6.73 1.61 2.47 -2.09 -3.44 114.38 105.06 2cra h ARG 8 Ca 0.00 0.08 -0.49 0.00 -1.26 0.00 0.00 59.98 58.30 2cra h ARG 8 Cb 0.00 0.26 0.22 0.00 -1.65 0.00 0.00 29.97 28.80 2cra h ARG 8 CO 0.00 -0.76 -0.82 1.17 0.56 0.00 0.00 179.97 180.12 2cra n LYS 9 N -5.61 -0.94 -4.03 0.04 4.81 -1.26 -5.03 118.16 106.14 2cra n LYS 9 Ca -0.15 -0.24 -0.25 0.00 -0.87 0.00 0.00 58.31 56.79 2cra n LYS 9 Cb 0.48 -1.78 -0.05 0.00 0.02 0.00 0.00 35.03 33.71 2cra n LYS 9 CO 0.00 0.00 0.00 -1.59 1.17 0.00 0.00 177.40 176.98 2cra s LYS 10 N -3.54 2.27 0.00 1.64 -2.85 -1.26 -5.11 119.74 110.89 2cra s LYS 10 Ca 0.56 -1.92 0.00 0.00 -1.00 0.00 0.00 55.97 53.62 2cra s LYS 10 Cb -0.17 -2.03 0.00 0.00 -2.06 0.00 0.00 37.83 33.57 2cra s LYS 10 CO 0.67 -0.32 0.00 0.54 0.10 0.00 0.00 175.35 176.34 2cra n ARG 11 N -1.46 0.00 -1.62 1.78 1.74 -1.26 -5.12 116.66 110.72 2cra n ARG 11 Ca -0.02 0.00 -0.47 0.00 -0.77 0.00 0.00 57.85 56.59 2cra n ARG 11 Cb 0.64 0.00 -0.03 0.00 -1.02 0.00 0.00 32.46 32.05 2cra n ARG 11 CO 0.00 0.00 0.00 -0.89 -1.52 0.00 0.00 177.63 175.22 2cra n ILE 12 N 0.00 1.05 -0.99 0.55 2.08 -1.26 -4.98 119.36 115.80 2cra n ILE 12 Ca 0.00 -0.26 0.00 0.00 0.56 0.00 0.00 62.75 63.05 2cra n ILE 12 Cb 0.00 -1.12 0.00 0.00 -0.75 0.00 0.00 39.64 37.77 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 1.74 -0.00 -2.23 0.38 -0.04 -1.26 -4.92 135.00 128.66 2cra n PRO 13 Ca 0.13 0.00 -0.02 0.00 -0.04 0.00 0.00 63.50 63.57 2cra n PRO 13 Cb 0.28 0.00 -0.01 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 -1.99 -4.02 -0.83 0.54 4.01 -1.26 -4.97 117.16 108.64 2cra n TYR 14 Ca 0.00 2.38 -0.30 0.00 -0.16 0.00 0.00 57.90 59.82 2cra n TYR 14 Cb 0.00 -3.57 0.19 0.00 -0.31 0.00 0.00 39.34 35.65 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 -0.53 2.41 0.22 7.72 0.15 -1.26 -4.58 113.70 117.84 2cra s SER 15 Ca -0.08 1.69 -0.08 0.00 0.70 0.00 0.00 55.95 58.18 2cra s SER 15 Cb 0.01 -2.32 0.35 0.00 -1.71 0.00 0.00 66.02 62.34 2cra s SER 15 CO 0.21 -3.34 1.72 0.50 1.20 0.00 0.00 173.24 173.54 2cra h LYS 16 N -2.03 0.34 -0.59 5.44 3.64 -1.98 0.90 116.57 122.29 2cra h LYS 16 Ca -0.52 -0.02 -0.06 0.00 -1.27 0.00 0.00 60.65 58.78 2cra h LYS 16 Cb 1.30 -0.08 -0.03 0.00 -0.41 0.00 0.00 32.23 33.01 2cra h LYS 16 CO 0.50 0.23 0.14 0.78 -2.27 0.00 0.00 179.45 178.82 2cra h GLY 17 N 0.35 0.99 0.68 5.01 0.00 -1.99 -0.47 103.07 107.64 2cra h GLY 17 Ca 0.35 -0.59 -0.02 0.00 0.00 0.00 0.00 47.33 47.07 2cra h GLY 17 CO -0.39 0.55 -0.03 1.46 0.00 0.00 0.00 176.54 178.13 2cra h GLN 18 N 0.89 0.17 0.00 4.80 4.20 -1.48 -2.99 115.11 120.69 2cra h GLN 18 Ca 0.19 -0.07 -0.04 0.00 0.06 0.00 0.00 58.65 58.79 2cra h GLN 18 Cb 0.33 -0.01 -0.01 0.00 0.30 0.00 0.00 27.48 28.10 2cra h GLN 18 CO 0.00 0.52 -0.17 -0.07 -0.67 0.00 0.00 178.83 178.44 2cra h LEU 19 N -0.19 0.00 -0.72 1.46 3.38 -0.80 -2.83 115.31 115.60 2cra h LEU 19 Ca 0.02 0.00 0.08 0.00 0.09 0.00 0.00 57.88 58.07 2cra h LEU 19 Cb 0.46 0.00 -0.07 0.00 0.09 0.00 0.00 40.66 41.15 2cra h LEU 19 CO 0.01 0.17 0.39 -0.09 0.09 0.00 0.00 178.44 179.01 2cra h ARG 20 N 0.00 0.66 0.09 1.13 9.65 -0.92 0.20 114.38 125.19 2cra h ARG 20 Ca -0.00 -0.04 -0.29 0.00 -1.10 0.00 0.00 59.98 58.55 2cra h ARG 20 Cb 0.46 -0.15 0.03 0.00 -1.39 0.00 0.00 29.97 28.91 2cra h ARG 20 CO 0.02 0.44 -1.20 0.93 2.80 0.00 0.00 179.97 182.96 2cra h GLU 21 N 0.68 0.63 0.37 0.20 4.39 -1.56 -3.12 114.58 116.17 2cra h GLU 21 Ca 0.34 -0.80 -0.02 0.00 0.34 0.00 0.00 59.36 59.23 2cra h GLU 21 Cb 0.30 0.26 0.00 0.00 -0.10 0.00 0.00 28.75 29.20 2cra h GLU 21 CO -0.23 1.36 -0.19 -0.07 -1.16 0.00 0.00 179.01 178.72 2cra h LEU 22 N 0.30 -0.46 -1.24 1.33 3.38 -1.25 -0.11 115.31 117.25 2cra h LEU 22 Ca -0.17 0.02 0.13 0.00 0.09 0.00 0.00 57.88 57.95 2cra h LEU 22 Cb 1.87 0.13 -0.07 0.00 0.09 0.00 0.00 40.66 42.67 2cra h LEU 22 CO 0.23 -0.32 0.58 -0.33 0.09 0.00 0.00 178.44 178.69 2cra h GLU 23 N -0.52 0.73 0.54 1.13 5.08 -0.74 0.26 114.58 121.06 2cra h GLU 23 Ca -0.05 -0.04 -0.03 0.00 -1.00 0.00 0.00 59.36 58.24 2cra h GLU 23 Cb 0.41 -0.17 0.01 0.00 0.50 0.00 0.00 28.75 29.50 2cra h GLU 23 CO 0.07 0.48 -0.26 0.00 -1.00 0.00 0.00 179.01 178.31 2cra h ARG 24 N 0.75 -0.69 -0.81 2.33 2.47 -1.39 0.79 114.38 117.83 2cra h ARG 24 Ca 0.45 0.05 0.08 0.00 -1.26 0.00 0.00 59.98 59.30 2cra h ARG 24 Cb 0.65 0.16 -0.05 0.00 -1.65 0.00 0.00 29.97 29.07 2cra h ARG 24 CO -0.21 -0.40 0.53 0.93 0.56 0.00 0.00 179.97 181.37 2cra h GLU 25 N -1.10 0.80 -0.14 0.04 3.07 -0.68 -1.89 114.58 114.69 2cra h GLU 25 Ca -0.07 -0.05 -0.06 0.00 -0.50 0.00 0.00 59.36 58.68 2cra h GLU 25 Cb 0.61 -0.18 -0.00 0.00 -0.84 0.00 0.00 28.75 28.34 2cra h GLU 25 CO 0.12 0.53 -0.14 -0.92 -1.40 0.00 0.00 179.01 177.20 2cra h TYR 26 N 0.82 0.40 -0.04 4.33 3.20 -0.48 -1.79 116.97 123.41 2cra h TYR 26 Ca 0.36 -0.12 0.01 0.00 3.14 0.00 0.00 58.73 62.12 2cra h TYR 26 Cb 0.34 -0.08 -0.00 0.00 1.54 0.00 0.00 36.73 38.52 2cra h TYR 26 CO -0.00 0.73 0.06 0.00 -1.64 0.00 0.00 178.16 177.31 2cra h ALA 27 N 0.60 1.45 0.01 1.82 0.00 -0.23 -1.00 119.26 121.91 2cra h ALA 27 Ca 0.02 -0.00 -0.28 0.00 0.00 0.00 0.00 54.91 54.65 2cra h ALA 27 Cb 0.67 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 18.42 2cra h ALA 27 CO 0.03 -0.08 -1.57 0.00 0.00 0.00 0.00 179.25 177.64 2cra h ALA 28 N 1.92 0.65 -1.52 0.00 0.00 -1.18 -3.47 119.26 115.66 2cra h ALA 28 Ca 0.02 -1.33 0.12 0.00 0.00 0.00 0.00 54.91 53.71 2cra h ALA 28 Cb 0.14 0.36 -0.23 0.00 0.00 0.00 0.00 17.79 18.06 2cra h ALA 28 CO -0.00 1.48 0.13 0.54 0.00 0.00 0.00 179.25 181.40 2cra s ASN 29 N -6.31 -0.78 0.57 0.00 2.20 -0.38 -5.02 114.94 105.22 2cra s ASN 29 Ca -0.05 1.12 0.32 0.00 -0.94 0.00 0.00 52.86 53.31 2cra s ASN 29 Cb 0.08 1.73 1.71 0.00 -2.00 0.00 0.00 41.25 42.78 2cra s ASN 29 CO 0.82 -0.16 2.15 0.07 -2.94 0.00 0.00 177.10 177.04 2cra h LYS 30 N 7.32 0.00 -4.41 3.55 2.10 -1.82 -3.37 116.57 119.94 2cra h LYS 30 Ca -0.20 0.00 -0.62 0.00 -2.00 0.00 0.00 60.65 57.82 2cra h LYS 30 Cb 1.14 0.00 -0.38 0.00 -0.90 0.00 0.00 32.23 32.08 2cra h LYS 30 CO 0.12 0.06 -0.78 -0.06 -2.00 0.00 0.00 179.45 176.79 2cra s PHE 31 N -4.17 2.66 0.98 0.07 0.40 -1.26 -4.88 117.98 111.79 2cra s PHE 31 Ca -0.03 -2.02 -0.16 0.00 -0.60 0.00 0.00 56.93 54.12 2cra s PHE 31 Cb 0.13 -1.84 0.22 0.00 0.51 0.00 0.00 43.02 42.04 2cra s PHE 31 CO 0.53 -0.82 1.34 0.96 0.70 0.00 0.00 175.22 177.93 2cra s ILE 32 N 1.30 2.00 0.36 0.64 -4.36 -1.26 -5.09 121.20 114.79 2cra s ILE 32 Ca -0.03 -0.02 0.07 0.00 -0.26 0.00 0.00 60.65 60.41 2cra s ILE 32 Cb -0.19 -2.98 -0.01 0.00 1.25 0.00 0.00 42.46 40.53 2cra s ILE 32 CO -0.08 0.00 0.47 0.42 0.24 0.00 0.00 174.94 175.99 2cra s THR 33 N -3.92 3.70 0.63 8.37 -4.23 -1.26 -4.96 115.64 113.96 2cra s THR 33 Ca 0.76 -1.05 0.36 0.00 -1.18 0.00 0.00 61.69 60.58 2cra s THR 33 Cb -0.03 -3.27 0.39 0.00 1.34 0.00 0.00 72.50 70.94 2cra s THR 33 CO 0.53 -0.12 2.30 0.11 -0.54 0.00 0.00 174.62 176.91 2cra h LYS 34 N 0.88 0.00 0.00 3.99 1.79 -2.00 -1.83 116.57 119.40 2cra h LYS 34 Ca -0.44 0.00 -0.23 0.00 -2.18 0.00 0.00 60.65 57.80 2cra h LYS 34 Cb 1.26 0.00 -0.03 0.00 -1.58 0.00 0.00 32.23 31.88 2cra h LYS 34 CO 0.52 0.00 -1.23 -0.44 -1.08 0.00 0.00 179.45 177.22 2cra h ASP 35 N 0.00 0.01 -0.85 0.86 3.32 -2.01 -3.34 116.42 114.42 2cra h ASP 35 Ca 0.00 -0.54 0.19 0.00 0.02 0.00 0.00 57.03 56.70 2cra h ASP 35 Cb 0.02 -0.00 -0.06 0.00 0.22 0.00 0.00 39.33 39.50 2cra h ASP 35 CO -0.00 1.48 0.57 0.50 -1.72 0.00 0.00 179.24 180.07 2cra h LYS 36 N -0.97 0.36 -0.53 3.56 1.63 -1.88 0.11 116.57 118.87 2cra h LYS 36 Ca -0.34 -0.02 -0.05 0.00 -0.85 0.00 0.00 60.65 59.39 2cra h LYS 36 Cb 1.32 -0.08 -0.02 0.00 -0.60 0.00 0.00 32.23 32.84 2cra h LYS 36 CO -0.19 0.24 0.14 -0.09 -3.45 0.00 0.00 179.45 176.10 2cra h ARG 37 N 0.38 0.84 -0.75 1.90 2.43 -1.50 -2.14 114.38 115.53 2cra h ARG 37 Ca 0.43 -0.20 -0.05 0.00 -0.81 0.00 0.00 59.98 59.36 2cra h ARG 37 Cb 1.10 -0.11 -0.03 0.00 -0.42 0.00 0.00 29.97 30.50 2cra h ARG 37 CO -0.14 0.79 0.28 0.00 -1.51 0.00 0.00 179.97 179.38 2cra h ARG 38 N 0.73 1.12 0.12 0.20 3.08 -1.11 -2.23 114.38 116.30 2cra h ARG 38 Ca 0.17 -0.21 -0.01 0.00 0.07 0.00 0.00 59.98 60.00 2cra h ARG 38 Cb 0.32 -0.18 0.00 0.00 0.08 0.00 0.00 29.97 30.19 2cra h ARG 38 CO -0.00 0.92 -0.06 0.87 -1.07 0.00 0.00 179.97 180.63 2cra h LYS 39 N 1.09 -0.16 -0.74 0.04 1.79 -1.19 -2.76 116.57 114.64 2cra h LYS 39 Ca 0.25 0.01 0.09 0.00 -2.18 0.00 0.00 60.65 58.82 2cra h LYS 39 Cb 0.23 0.04 -0.05 0.00 -1.58 0.00 0.00 32.23 30.87 2cra h LYS 39 CO -0.02 0.01 0.48 0.82 -1.08 0.00 0.00 179.45 179.66 2cra h ILE 40 N -0.30 0.96 0.00 1.86 2.04 -1.27 0.14 117.51 120.93 2cra h ILE 40 Ca -0.02 -0.23 -0.01 0.00 1.00 0.00 0.00 64.86 65.60 2cra h ILE 40 Cb 0.24 0.22 -0.00 0.00 -0.74 0.00 0.00 36.82 36.55 2cra h ILE 40 CO 0.03 0.12 -0.06 -1.28 0.00 0.00 0.00 178.15 176.96 2cra h SER 41 N 0.67 0.00 0.23 1.72 0.87 -1.12 0.57 113.55 116.49 2cra h SER 41 Ca 0.33 0.00 -0.26 0.00 -1.23 0.00 0.00 61.79 60.63 2cra h SER 41 Cb 0.41 0.00 -0.05 0.00 -0.44 0.00 0.00 62.40 62.32 2cra h SER 41 CO -0.12 0.06 -2.02 0.00 -0.53 0.00 0.00 176.83 174.23 2cra n ALA 42 N -2.34 1.77 0.11 6.23 0.00 0.18 -0.09 120.51 126.36 2cra n ALA 42 Ca -0.03 -0.96 -0.03 0.00 0.00 0.00 0.00 53.44 52.43 2cra n ALA 42 Cb 0.15 -0.54 0.05 0.00 0.00 0.00 0.00 19.45 19.12 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 1.23 0.69 0.00 0.00 0.00 -0.28 -3.28 119.26 117.63 2cra h ALA 43 Ca -0.35 -0.68 0.00 0.00 0.00 0.00 0.00 54.91 53.88 2cra h ALA 43 Cb 1.90 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 19.57 2cra h ALA 43 CO 0.04 0.93 -0.01 0.25 0.00 0.00 0.00 179.25 180.46 2cra n THR 44 N -3.54 1.30 -3.31 0.00 -2.24 0.14 -4.95 114.28 101.67 2cra n THR 44 Ca -0.00 -1.44 -0.23 0.00 -2.27 0.00 0.00 64.05 60.11 2cra n THR 44 Cb 0.75 0.23 0.00 0.00 -2.10 0.00 0.00 70.33 69.22 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 -0.83 -4.20 -4.44 3.42 7.64 -0.89 -4.85 113.62 109.47 2cra n SER 45 Ca 0.06 -0.38 -0.19 0.00 1.01 0.00 0.00 58.87 59.36 2cra n SER 45 Cb 0.41 -3.45 0.03 0.00 -1.01 0.00 0.00 64.21 60.18 2cra n SER 45 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 2cra n LEU 46 N -3.81 0.00 -4.72 -3.43 4.77 0.87 -4.97 117.00 105.71 2cra n LEU 46 Ca -0.03 -2.27 -0.23 0.00 -0.03 0.00 0.00 56.01 53.45 2cra n LEU 46 Cb 0.56 -0.19 -0.06 0.00 -2.33 0.00 0.00 43.42 41.39 2cra n LEU 46 CO 0.51 -0.60 -0.25 -0.55 -1.33 0.00 0.00 177.39 175.16 2cra s SER 47 N -3.88 4.88 0.46 -1.43 0.15 -1.26 -4.38 113.70 108.24 2cra s SER 47 Ca 0.38 -0.54 0.13 0.00 0.70 0.00 0.00 55.95 56.62 2cra s SER 47 Cb -0.03 -1.00 1.06 0.00 -1.71 0.00 0.00 66.02 64.34 2cra s SER 47 CO 0.24 -0.06 2.06 -0.33 1.20 0.00 0.00 173.24 176.36 2cra h GLU 48 N 1.70 0.31 0.04 5.44 5.08 -1.95 -1.60 114.58 123.59 2cra h GLU 48 Ca -0.45 -0.02 -0.00 0.00 -1.00 0.00 0.00 59.36 57.89 2cra h GLU 48 Cb 1.25 -0.07 0.00 0.00 0.50 0.00 0.00 28.75 30.43 2cra h GLU 48 CO 0.61 0.20 -0.02 -0.09 -1.00 0.00 0.00 179.01 178.71 2cra h ARG 49 N 0.32 -0.05 -0.28 2.33 9.65 -1.97 -3.02 114.38 121.36 2cra h ARG 49 Ca 0.14 0.00 0.07 0.00 -1.10 0.00 0.00 59.98 59.09 2cra h ARG 49 Cb 0.18 0.01 -0.07 0.00 -1.39 0.00 0.00 29.97 28.70 2cra h ARG 49 CO -0.03 0.60 -0.20 1.96 2.80 0.00 0.00 179.97 185.10 2cra h GLN 50 N -0.84 -0.17 -0.86 0.20 4.20 -1.90 0.17 115.11 115.91 2cra h GLN 50 Ca -0.01 0.01 0.11 0.00 0.06 0.00 0.00 58.65 58.83 2cra h GLN 50 Cb 0.68 0.04 -0.06 0.00 0.30 0.00 0.00 27.48 28.44 2cra h GLN 50 CO 0.01 -0.12 0.56 0.82 -0.67 0.00 0.00 178.83 179.43 2cra h ILE 51 N -0.18 0.92 -0.08 2.54 2.04 -1.42 -2.09 117.51 119.23 2cra h ILE 51 Ca 0.15 -0.27 -0.04 0.00 1.00 0.00 0.00 64.86 65.71 2cra h ILE 51 Cb 0.41 0.07 -0.00 0.00 -0.74 0.00 0.00 36.82 36.57 2cra h ILE 51 CO -0.39 0.14 -0.10 0.74 0.00 0.00 0.00 178.15 178.54 2cra h THR 52 N 0.77 1.38 -0.77 -0.27 2.02 -0.95 -2.36 112.91 112.74 2cra h THR 52 Ca 0.41 -1.30 0.14 0.00 0.77 0.00 0.00 66.41 66.44 2cra h THR 52 Cb 0.52 2.05 -0.10 0.00 -1.74 0.00 0.00 68.15 68.88 2cra h THR 52 CO -0.18 0.36 0.32 0.40 0.37 0.00 0.00 175.52 176.80 2cra h ILE 53 N -0.22 0.66 -0.04 3.11 2.04 -0.10 0.23 117.51 123.20 2cra h ILE 53 Ca 0.01 -0.16 -0.01 0.00 1.00 0.00 0.00 64.86 65.70 2cra h ILE 53 Cb 0.63 0.16 -0.00 0.00 -0.74 0.00 0.00 36.82 36.87 2cra h ILE 53 CO 0.02 0.09 -0.00 -0.25 0.00 0.00 0.00 178.15 178.01 2cra h TRP 54 N 0.47 0.07 -0.48 1.37 7.01 -1.41 0.24 115.95 123.22 2cra h TRP 54 Ca 0.42 -0.01 0.04 0.00 2.11 0.00 0.00 58.89 61.45 2cra h TRP 54 Cb 0.64 -0.02 -0.03 0.00 -2.10 0.00 0.00 29.16 27.65 2cra h TRP 54 CO -0.15 0.38 0.32 0.74 -2.79 0.00 0.00 178.44 176.93 2cra h PHE 55 N -0.26 0.49 0.00 2.65 -1.00 -0.78 -0.75 116.94 117.29 2cra h PHE 55 Ca 0.01 0.01 -0.01 0.00 2.81 0.00 0.00 57.97 60.80 2cra h PHE 55 Cb 0.35 -0.16 0.00 0.00 3.61 0.00 0.00 35.95 39.75 2cra h PHE 55 CO 0.04 0.28 -0.03 1.96 -1.61 0.00 0.00 178.31 178.96 2cra h GLN 56 N 0.51 0.01 -0.10 1.51 1.08 -0.43 -3.05 115.11 114.65 2cra h GLN 56 Ca 0.20 -0.02 0.03 0.00 -1.45 0.00 0.00 58.65 57.41 2cra h GLN 56 Cb 0.15 0.01 -0.00 0.00 -0.05 0.00 0.00 27.48 27.58 2cra h GLN 56 CO -0.05 0.94 0.13 -0.91 -0.95 0.00 0.00 178.83 177.99 2cra h ASN 57 N -0.90 0.00 0.00 1.46 -0.26 -0.27 0.13 115.58 115.73 2cra h ASN 57 Ca -0.00 0.00 -0.02 0.00 -0.56 0.00 0.00 56.30 55.71 2cra h ASN 57 Cb 0.95 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 38.21 2cra h ASN 57 CO 0.01 0.00 -0.10 0.03 -1.06 0.00 0.00 177.43 176.31 2cra h ARG 58 N 0.00 0.06 -0.18 0.81 2.47 -1.19 -3.01 114.38 113.35 2cra h ARG 58 Ca 0.05 -0.07 -0.05 0.00 -1.26 0.00 0.00 59.98 58.65 2cra h ARG 58 Cb 0.32 0.02 -0.00 0.00 -1.65 0.00 0.00 29.97 28.65 2cra h ARG 58 CO -0.00 0.85 -0.09 0.00 0.56 0.00 0.00 179.97 181.29 2cra h ARG 59 N -0.70 0.38 -0.04 0.04 3.08 -1.26 -2.82 114.38 113.07 2cra h ARG 59 Ca -0.01 -0.17 0.01 0.00 0.07 0.00 0.00 59.98 59.88 2cra h ARG 59 Cb 0.89 -0.01 -0.00 0.00 0.08 0.00 0.00 29.97 30.93 2cra h ARG 59 CO 0.02 0.69 0.10 0.28 -1.07 0.00 0.00 179.97 179.99 2cra h VAL 60 N 0.06 0.20 -0.00 2.04 2.07 -0.91 0.36 116.25 120.07 2cra h VAL 60 Ca 0.04 0.00 -0.17 0.00 0.82 0.00 0.00 66.70 67.39 2cra h VAL 60 Cb 0.58 0.91 -0.02 0.00 -1.52 0.00 0.00 31.29 31.23 2cra h VAL 60 CO 0.03 0.00 -0.80 0.11 0.02 0.00 0.00 177.57 176.93 2cra h LYS 61 N 0.00 0.06 -0.73 1.57 1.57 -1.35 -3.10 116.57 114.59 2cra h LYS 61 Ca 0.02 -0.06 -0.13 0.00 -1.87 0.00 0.00 60.65 58.61 2cra h LYS 61 Cb 0.23 0.02 -0.08 0.00 0.08 0.00 0.00 32.23 32.47 2cra h LYS 61 CO -0.00 0.82 0.17 -0.85 -0.57 0.00 0.00 179.45 179.02 2cra n GLU 62 N -3.64 3.84 -0.08 3.15 0.28 0.10 -4.16 120.64 120.13 2cra n GLU 62 Ca -0.01 -2.79 -0.12 0.00 -0.16 0.00 0.00 57.16 54.07 2cra n GLU 62 Cb 0.76 -2.16 -0.15 0.00 1.43 0.00 0.00 31.44 31.33 2cra n GLU 62 CO 0.00 0.00 0.00 1.63 -0.16 0.00 0.00 177.13 178.60 2cra n LYS 63 N 0.13 0.68 -2.88 3.44 4.76 -1.11 -4.80 118.16 118.37 2cra n LYS 63 Ca 0.33 0.10 -0.43 0.00 -2.87 0.00 0.00 58.31 55.44 2cra n LYS 63 Cb 1.23 -1.58 -0.04 0.00 -1.84 0.00 0.00 35.03 32.80 2cra n LYS 63 CO 0.00 0.00 0.00 0.15 -1.37 0.00 0.00 177.40 176.18 2cra s LYS 64 N -2.52 3.14 0.93 1.97 3.01 -1.26 -5.03 119.74 119.98 2cra s LYS 64 Ca -0.14 -0.77 -0.13 0.00 -1.01 0.00 0.00 55.97 53.91 2cra s LYS 64 Cb 0.07 -4.20 0.15 0.00 -1.01 0.00 0.00 37.83 32.84 2cra s LYS 64 CO 0.78 -1.73 1.16 -1.12 0.51 0.00 0.00 175.35 174.95 2cra s SER 65 N 3.50 3.33 0.00 2.83 0.01 -1.26 -4.94 113.70 117.17 2cra s SER 65 Ca 0.22 0.86 0.00 0.00 1.31 0.00 0.00 55.95 58.35 2cra s SER 65 Cb -0.17 -1.36 0.00 0.00 0.21 0.00 0.00 66.02 64.71 2cra s SER 65 CO 0.11 -2.65 0.00 0.61 0.41 0.00 0.00 173.24 171.72 2cra n GLY 66 N -2.33 -2.21 3.74 3.44 0.00 -1.26 -5.14 105.19 101.44 2cra n GLY 66 Ca 0.08 0.72 -0.41 0.00 0.00 0.00 0.00 46.02 46.41 2cra n GLY 66 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2cra s PRO 67 N 0.00 4.41 -0.06 1.61 0.04 -1.26 -4.94 135.00 134.80 2cra s PRO 67 Ca 0.00 2.05 -0.02 0.00 0.04 0.00 0.00 61.00 63.07 2cra s PRO 67 Cb 0.00 -3.18 -0.03 0.00 0.04 0.00 0.00 34.50 31.33 2cra s PRO 67 CO 0.00 -0.20 -0.07 0.45 0.04 0.00 0.00 177.00 177.22 2cra n SER 68 N 2.27 1.74 0.01 6.66 2.88 -1.26 -4.97 113.62 120.94 2cra n SER 68 Ca 0.05 0.03 0.00 0.00 -1.33 0.00 0.00 58.87 57.62 2cra n SER 68 Cb 0.43 -0.14 0.00 0.00 -0.75 0.00 0.00 64.21 63.75 2cra n SER 68 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 2cra n SER 69 N -3.02 0.08 0.00 -3.46 7.64 -1.26 -5.34 113.62 108.26 2cra n SER 69 Ca -0.11 0.04 0.00 0.00 1.01 0.00 0.00 58.87 59.81 2cra n SER 69 Cb 0.59 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.79 2cra n SER 69 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64