#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 -0.22 -0.16 1.61 0.01 -1.26 -4.65 113.70 109.03 2cra s SER 2 Ca 0.00 0.22 -0.00 0.00 1.31 0.00 0.00 55.95 57.48 2cra s SER 2 Cb 0.00 0.18 0.04 0.00 0.21 0.00 0.00 66.02 66.45 2cra s SER 2 CO 0.00 -0.21 -0.08 -0.44 0.41 0.00 0.00 173.24 172.92 2cra s SER 3 N -1.15 2.81 1.12 2.44 0.01 -1.26 -5.01 113.70 112.66 2cra s SER 3 Ca 0.03 -0.62 -0.17 0.00 1.31 0.00 0.00 55.95 56.50 2cra s SER 3 Cb -0.01 -0.99 0.14 0.00 0.21 0.00 0.00 66.02 65.37 2cra s SER 3 CO -0.03 -0.15 0.25 0.61 0.41 0.00 0.00 173.24 174.33 2cra n GLY 4 N 4.84 -2.35 3.53 3.44 0.00 -1.26 -4.88 105.19 108.51 2cra n GLY 4 Ca -0.13 -0.86 -0.36 0.00 0.00 0.00 0.00 46.02 44.67 2cra n GLY 4 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2cra n SER 5 N -2.35 -0.54 -3.55 1.61 3.41 -1.26 -5.02 113.62 105.93 2cra n SER 5 Ca 0.02 0.60 -0.11 0.00 -0.26 0.00 0.00 58.87 59.11 2cra n SER 5 Cb 0.60 -1.30 -0.04 0.00 -0.26 0.00 0.00 64.21 63.20 2cra n SER 5 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 2cra s SER 6 N -1.61 -0.42 0.00 4.04 0.15 -1.26 -5.18 113.70 109.42 2cra s SER 6 Ca 0.68 0.34 0.00 0.00 0.70 0.00 0.00 55.95 57.68 2cra s SER 6 Cb -0.33 0.36 0.00 0.00 -1.71 0.00 0.00 66.02 64.34 2cra s SER 6 CO 0.56 -0.46 0.00 0.61 1.20 0.00 0.00 173.24 175.14 2cra n GLY 7 N 0.50 -1.27 2.96 9.45 0.00 -1.26 -5.09 105.19 110.48 2cra n GLY 7 Ca -0.11 -1.49 -0.06 0.00 0.00 0.00 0.00 46.02 44.35 2cra n GLY 7 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 2cra s ARG 8 N 0.00 0.39 -0.02 1.61 1.70 -1.26 -5.00 118.95 116.37 2cra s ARG 8 Ca 0.00 0.63 0.05 0.00 -0.47 0.00 0.00 55.73 55.94 2cra s ARG 8 Cb 0.00 -0.27 -0.07 0.00 -0.57 0.00 0.00 34.95 34.04 2cra s ARG 8 CO 0.00 -0.64 0.09 0.36 -1.08 0.00 0.00 175.30 174.03 2cra n LYS 9 N 5.38 1.02 -2.42 3.89 2.85 -1.26 -5.05 118.16 122.57 2cra n LYS 9 Ca -0.03 -0.03 -0.18 0.00 -1.05 0.00 0.00 58.31 57.02 2cra n LYS 9 Cb 0.50 -1.12 0.08 0.00 -0.65 0.00 0.00 35.03 33.84 2cra n LYS 9 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 177.40 178.98 2cra n LYS 10 N -1.82 0.29 0.00 -1.58 4.76 -1.26 -5.11 118.16 113.44 2cra n LYS 10 Ca -0.03 -2.42 0.00 0.00 -2.87 0.00 0.00 58.31 53.00 2cra n LYS 10 Cb 0.28 -0.41 0.00 0.00 -1.84 0.00 0.00 35.03 33.06 2cra n LYS 10 CO 0.00 0.00 0.00 0.54 -1.37 0.00 0.00 177.40 176.57 2cra n ARG 11 N -2.34 -1.75 -1.62 1.97 1.74 -1.26 -4.85 116.66 108.54 2cra n ARG 11 Ca 0.14 0.00 -0.47 0.00 -0.77 0.00 0.00 57.85 56.75 2cra n ARG 11 Cb 0.50 0.00 -0.03 0.00 -1.02 0.00 0.00 32.46 31.91 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 -2.87 1.04 -0.98 0.55 2.08 -1.26 -4.98 119.36 112.94 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 -1.15 0.00 0.00 -0.75 0.00 0.00 39.64 37.74 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 -0.04 -2.09 0.38 -0.04 -1.26 -4.93 135.00 128.78 2cra n PRO 13 Ca 0.13 -0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.58 2cra n PRO 13 Cb 0.28 -0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.74 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 -2.02 -3.96 -1.37 0.54 4.01 -1.26 -4.99 117.16 108.11 2cra n TYR 14 Ca 0.00 2.35 -0.29 0.00 -0.16 0.00 0.00 57.90 59.80 2cra n TYR 14 Cb 0.00 -3.51 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 -1.12 -0.46 0.00 0.00 176.86 175.28 2cra s SER 15 N -0.49 3.43 0.50 7.72 0.01 -1.26 -4.64 113.70 118.98 2cra s SER 15 Ca 0.00 1.19 0.22 0.00 1.31 0.00 0.00 55.95 58.66 2cra s SER 15 Cb 0.00 -1.84 1.28 0.00 0.21 0.00 0.00 66.02 65.67 2cra s SER 15 CO 0.00 -2.63 1.98 0.11 0.41 0.00 0.00 173.24 173.12 2cra h LYS 16 N -1.54 0.13 -0.03 12.44 1.57 -1.98 0.12 116.57 127.28 2cra h LYS 16 Ca -0.51 -0.01 -0.15 0.00 -1.87 0.00 0.00 60.65 58.11 2cra h LYS 16 Cb 1.31 -0.03 -0.02 0.00 0.08 0.00 0.00 32.23 33.58 2cra h LYS 16 CO 0.59 0.09 -0.68 0.78 -0.57 0.00 0.00 179.45 179.66 2cra h GLY 17 N 0.13 0.14 0.62 3.86 0.00 -1.99 -1.62 103.07 104.21 2cra h GLY 17 Ca 0.27 -0.19 -0.21 0.00 0.00 0.00 0.00 47.33 47.20 2cra h GLY 17 CO -0.04 0.17 -0.98 1.46 0.00 0.00 0.00 176.54 177.16 2cra h GLN 18 N 0.09 0.27 0.00 4.80 4.20 -1.29 -3.31 115.11 119.87 2cra h GLN 18 Ca -0.01 -0.46 -0.04 0.00 0.06 0.00 0.00 58.65 58.20 2cra h GLN 18 Cb 1.21 0.17 -0.01 0.00 0.30 0.00 0.00 27.48 29.15 2cra h GLN 18 CO 0.10 1.22 -0.17 -0.07 -0.67 0.00 0.00 178.83 179.24 2cra h LEU 19 N -0.38 0.00 -1.13 1.46 3.38 -0.95 -2.87 115.31 114.82 2cra h LEU 19 Ca -0.19 0.00 0.05 0.00 0.09 0.00 0.00 57.88 57.83 2cra h LEU 19 Cb 1.66 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 42.35 2cra h LEU 19 CO 0.12 0.17 0.59 -0.09 0.09 0.00 0.00 178.44 179.32 2cra h ARG 20 N 0.00 1.06 0.17 1.13 2.43 -1.38 0.20 114.38 118.00 2cra h ARG 20 Ca -0.00 -0.06 -0.31 0.00 -0.81 0.00 0.00 59.98 58.79 2cra h ARG 20 Cb 0.58 -0.24 0.01 0.00 -0.42 0.00 0.00 29.97 29.90 2cra h ARG 20 CO 0.02 0.70 -1.48 0.93 -1.51 0.00 0.00 179.97 178.63 2cra h GLU 21 N 1.10 0.36 0.07 0.20 4.39 -1.65 -2.92 114.58 116.13 2cra h GLU 21 Ca 0.37 -0.61 -0.00 0.00 0.34 0.00 0.00 59.36 59.45 2cra h GLU 21 Cb 0.08 0.23 0.00 0.00 -0.10 0.00 0.00 28.75 28.96 2cra h GLU 21 CO -0.12 1.26 -0.04 -0.07 -1.16 0.00 0.00 179.01 178.89 2cra h LEU 22 N 0.10 -0.08 -0.93 1.33 3.38 -1.27 -1.44 115.31 116.39 2cra h LEU 22 Ca -0.24 -0.16 -0.05 0.00 0.09 0.00 0.00 57.88 57.52 2cra h LEU 22 Cb 2.06 0.02 -0.03 0.00 0.09 0.00 0.00 40.66 42.80 2cra h LEU 22 CO 0.21 0.12 0.21 -0.33 0.09 0.00 0.00 178.44 178.73 2cra h GLU 23 N -0.28 0.99 0.97 1.13 5.08 -0.76 -2.06 114.58 119.65 2cra h GLU 23 Ca -0.01 -0.19 -0.05 0.00 -1.00 0.00 0.00 59.36 58.11 2cra h GLU 23 Cb 0.24 -0.15 0.01 0.00 0.50 0.00 0.00 28.75 29.35 2cra h GLU 23 CO 0.02 0.85 -0.47 -0.09 -1.00 0.00 0.00 179.01 178.32 2cra h ARG 24 N 0.96 -1.26 -0.96 2.33 2.43 -1.38 -2.31 114.38 114.19 2cra h ARG 24 Ca 0.21 0.09 0.16 0.00 -0.81 0.00 0.00 59.98 59.63 2cra h ARG 24 Cb 0.26 0.29 -0.09 0.00 -0.42 0.00 0.00 29.97 30.01 2cra h ARG 24 CO -0.01 -0.84 0.61 0.93 -1.51 0.00 0.00 179.97 179.15 2cra h GLU 25 N -1.34 0.75 -0.40 0.20 3.07 -1.24 -1.07 114.58 114.55 2cra h GLU 25 Ca -0.13 -0.05 0.04 0.00 -0.50 0.00 0.00 59.36 58.72 2cra h GLU 25 Cb 1.00 -0.17 -0.04 0.00 -0.84 0.00 0.00 28.75 28.70 2cra h GLU 25 CO 0.22 0.50 0.16 -0.92 -1.40 0.00 0.00 179.01 177.56 2cra h TYR 26 N 0.77 0.29 0.00 4.33 3.20 -1.17 0.21 116.97 124.60 2cra h TYR 26 Ca 0.51 0.02 -0.01 0.00 3.14 0.00 0.00 58.73 62.39 2cra h TYR 26 Cb 0.77 -0.07 -0.00 0.00 1.54 0.00 0.00 36.73 38.96 2cra h TYR 26 CO -0.00 0.13 -0.05 0.00 -1.64 0.00 0.00 178.16 176.59 2cra h ALA 27 N 1.24 1.60 0.00 1.82 0.00 -0.63 -1.78 119.26 121.51 2cra h ALA 27 Ca 0.18 -0.05 -0.24 0.00 0.00 0.00 0.00 54.91 54.80 2cra h ALA 27 Cb 0.14 -0.01 -0.04 0.00 0.00 0.00 0.00 17.79 17.88 2cra h ALA 27 CO -0.17 0.07 -1.32 0.00 0.00 0.00 0.00 179.25 177.83 2cra h ALA 28 N 1.95 0.58 -0.56 0.00 0.00 -0.83 -3.46 119.26 116.94 2cra h ALA 28 Ca -0.00 -1.14 0.20 0.00 0.00 0.00 0.00 54.91 53.97 2cra h ALA 28 Cb 0.12 0.16 -0.21 0.00 0.00 0.00 0.00 17.79 17.86 2cra h ALA 28 CO 0.01 1.35 0.06 0.54 0.00 0.00 0.00 179.25 181.22 2cra s ASN 29 N -6.37 -0.66 0.48 0.00 2.20 0.59 -5.02 114.94 106.16 2cra s ASN 29 Ca -0.02 0.48 0.24 0.00 -0.94 0.00 0.00 52.86 52.62 2cra s ASN 29 Cb 0.09 1.58 1.28 0.00 -2.00 0.00 0.00 41.25 42.20 2cra s ASN 29 CO 0.82 -0.12 1.89 0.07 -2.94 0.00 0.00 177.10 176.82 2cra h LYS 30 N 7.93 0.19 -4.83 3.55 2.10 -1.75 -3.36 116.57 120.40 2cra h LYS 30 Ca -0.16 -0.01 -0.66 0.00 -2.00 0.00 0.00 60.65 57.82 2cra h LYS 30 Cb 1.16 -0.04 -0.37 0.00 -0.90 0.00 0.00 32.23 32.08 2cra h LYS 30 CO 0.00 0.13 -0.81 -0.06 -2.00 0.00 0.00 179.45 176.71 2cra s PHE 31 N -5.20 3.03 0.96 0.07 0.40 -1.26 -4.95 117.98 111.03 2cra s PHE 31 Ca -0.07 -2.09 -0.15 0.00 -0.60 0.00 0.00 56.93 54.03 2cra s PHE 31 Cb 0.22 -1.87 0.21 0.00 0.51 0.00 0.00 43.02 42.09 2cra s PHE 31 CO 0.77 -0.85 1.31 0.96 0.70 0.00 0.00 175.22 178.12 2cra s ILE 32 N 1.19 2.01 0.56 0.64 -4.36 -1.26 -5.10 121.20 114.87 2cra s ILE 32 Ca -0.06 -0.07 0.08 0.00 -0.26 0.00 0.00 60.65 60.34 2cra s ILE 32 Cb -0.18 -2.94 0.06 0.00 1.25 0.00 0.00 42.46 40.65 2cra s ILE 32 CO -0.07 0.00 0.59 0.42 0.24 0.00 0.00 174.94 176.13 2cra s THR 33 N -3.86 1.92 0.31 8.37 -4.23 -1.26 -4.97 115.64 111.93 2cra s THR 33 Ca 0.75 -1.25 0.28 0.00 -1.18 0.00 0.00 61.69 60.30 2cra s THR 33 Cb -0.03 -2.16 0.30 0.00 1.34 0.00 0.00 72.50 71.94 2cra s THR 33 CO 0.53 0.00 2.01 0.11 -0.54 0.00 0.00 174.62 176.73 2cra h LYS 34 N 0.47 0.00 0.00 3.99 1.57 -2.00 -2.37 116.57 118.23 2cra h LYS 34 Ca -0.33 0.00 -0.16 0.00 -1.87 0.00 0.00 60.65 58.28 2cra h LYS 34 Cb 1.29 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 33.58 2cra h LYS 34 CO 0.49 0.13 -0.91 -0.44 -0.57 0.00 0.00 179.45 178.15 2cra h ASP 35 N 0.00 0.00 -0.91 0.86 3.32 -2.01 -3.33 116.42 114.36 2cra h ASP 35 Ca -0.00 -0.59 0.17 0.00 0.02 0.00 0.00 57.03 56.62 2cra h ASP 35 Cb 0.45 0.00 -0.07 0.00 0.22 0.00 0.00 39.33 39.93 2cra h ASP 35 CO 0.02 1.33 0.58 0.50 -1.72 0.00 0.00 179.24 179.95 2cra h LYS 36 N -1.00 0.60 -0.49 3.56 1.63 -1.94 0.11 116.57 119.04 2cra h LYS 36 Ca -0.25 -0.04 -0.03 0.00 -0.85 0.00 0.00 60.65 59.49 2cra h LYS 36 Cb 1.17 -0.14 -0.02 0.00 -0.60 0.00 0.00 32.23 32.65 2cra h LYS 36 CO -0.15 0.40 0.18 -0.09 -3.45 0.00 0.00 179.45 176.33 2cra h ARG 37 N 0.62 0.70 -0.42 1.90 2.43 -1.58 -2.16 114.38 115.87 2cra h ARG 37 Ca 0.47 -0.11 -0.13 0.00 -0.81 0.00 0.00 59.98 59.41 2cra h ARG 37 Cb 0.87 -0.12 -0.01 0.00 -0.42 0.00 0.00 29.97 30.28 2cra h ARG 37 CO -0.22 0.59 -0.25 0.00 -1.51 0.00 0.00 179.97 178.59 2cra h ARG 38 N 0.69 0.86 0.10 0.20 3.08 -0.90 -2.59 114.38 115.83 2cra h ARG 38 Ca 0.17 -0.37 -0.00 0.00 0.07 0.00 0.00 59.98 59.84 2cra h ARG 38 Cb 0.17 -0.03 0.00 0.00 0.08 0.00 0.00 29.97 30.19 2cra h ARG 38 CO -0.01 1.01 -0.05 0.87 -1.07 0.00 0.00 179.97 180.72 2cra h LYS 39 N 0.74 -0.13 -0.68 0.04 1.79 -1.03 -2.59 116.57 114.71 2cra h LYS 39 Ca 0.09 0.01 0.09 0.00 -2.18 0.00 0.00 60.65 58.66 2cra h LYS 39 Cb 0.80 0.03 -0.04 0.00 -1.58 0.00 0.00 32.23 31.43 2cra h LYS 39 CO 0.07 0.09 0.45 0.82 -1.08 0.00 0.00 179.45 179.80 2cra h ILE 40 N -0.33 0.94 0.00 1.86 2.04 -1.41 0.10 117.51 120.72 2cra h ILE 40 Ca -0.01 -0.20 -0.04 0.00 1.00 0.00 0.00 64.86 65.60 2cra h ILE 40 Cb 0.28 0.30 -0.01 0.00 -0.74 0.00 0.00 36.82 36.65 2cra h ILE 40 CO 0.02 0.11 -0.20 -1.28 0.00 0.00 0.00 178.15 176.80 2cra h SER 41 N 0.59 0.00 0.59 1.72 0.87 -1.23 -0.06 113.55 116.03 2cra h SER 41 Ca 0.31 0.00 -0.28 0.00 -1.23 0.00 0.00 61.79 60.59 2cra h SER 41 Cb 0.44 0.00 -0.00 0.00 -0.44 0.00 0.00 62.40 62.39 2cra h SER 41 CO -0.10 0.20 -1.34 0.00 -0.53 0.00 0.00 176.83 175.06 2cra h ALA 42 N 1.80 0.19 0.00 6.23 0.00 -0.44 -1.89 119.26 125.14 2cra h ALA 42 Ca -0.00 -0.98 0.00 0.00 0.00 0.00 0.00 54.91 53.93 2cra h ALA 42 Cb 0.60 0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.49 2cra h ALA 42 CO 0.03 1.06 -0.01 0.00 0.00 0.00 0.00 179.25 180.33 2cra h ALA 43 N 0.59 0.00 0.00 0.00 0.00 -1.12 -3.33 119.26 115.39 2cra h ALA 43 Ca -0.17 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.73 2cra h ALA 43 Cb 1.98 0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.78 2cra h ALA 43 CO 0.18 0.01 0.00 0.25 0.00 0.00 0.00 179.25 179.69 2cra n THR 44 N -4.44 0.83 -2.19 0.00 -2.24 -0.06 -4.86 114.28 101.31 2cra n THR 44 Ca -0.00 0.20 -0.17 0.00 -2.27 0.00 0.00 64.05 61.80 2cra n THR 44 Cb 0.00 -0.94 -0.02 0.00 -2.10 0.00 0.00 70.33 67.27 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 -1.61 -5.12 -5.01 3.42 7.64 -0.74 -4.89 113.62 107.30 2cra n SER 45 Ca 0.04 0.06 -0.18 0.00 1.01 0.00 0.00 58.87 59.80 2cra n SER 45 Cb 0.21 -4.20 0.03 0.00 -1.01 0.00 0.00 64.21 59.24 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 -4.85 3.46 0.23 -3.43 1.43 -1.01 -3.99 118.68 110.52 2cra s LEU 46 Ca 0.00 -0.54 -0.10 0.00 -1.03 0.00 0.00 54.13 52.47 2cra s LEU 46 Cb 0.00 -2.34 -0.07 0.00 0.03 0.00 0.00 46.19 43.81 2cra s LEU 46 CO 0.00 -0.98 0.56 -0.55 0.23 0.00 0.00 176.35 175.61 2cra s SER 47 N -4.46 6.63 0.44 2.29 0.15 -1.26 -4.42 113.70 113.07 2cra s SER 47 Ca 0.57 0.93 0.20 0.00 0.70 0.00 0.00 55.95 58.36 2cra s SER 47 Cb -0.09 -2.23 1.16 0.00 -1.71 0.00 0.00 66.02 63.16 2cra s SER 47 CO 0.35 -0.08 1.87 -0.33 1.20 0.00 0.00 173.24 176.25 2cra h GLU 48 N 2.51 0.31 -0.07 5.44 5.08 -1.93 -0.38 114.58 125.54 2cra h GLU 48 Ca -0.47 -0.02 -0.12 0.00 -1.00 0.00 0.00 59.36 57.76 2cra h GLU 48 Cb 1.17 -0.07 0.01 0.00 0.50 0.00 0.00 28.75 30.36 2cra h GLU 48 CO 0.69 0.21 -0.42 -0.09 -1.00 0.00 0.00 179.01 178.40 2cra h ARG 49 N 0.32 0.40 -0.43 2.33 9.65 -1.97 -2.71 114.38 121.97 2cra h ARG 49 Ca 0.45 -0.34 0.04 0.00 -1.10 0.00 0.00 59.98 59.03 2cra h ARG 49 Cb 1.26 0.08 -0.04 0.00 -1.39 0.00 0.00 29.97 29.87 2cra h ARG 49 CO -0.14 0.99 0.20 1.96 2.80 0.00 0.00 179.97 185.77 2cra h GLN 50 N -0.08 0.38 -0.85 0.20 4.20 -1.50 -0.05 115.11 117.42 2cra h GLN 50 Ca -0.03 -0.02 -0.03 0.00 0.06 0.00 0.00 58.65 58.62 2cra h GLN 50 Cb 1.08 -0.09 -0.04 0.00 0.30 0.00 0.00 27.48 28.73 2cra h GLN 50 CO 0.09 0.25 0.42 0.82 -0.67 0.00 0.00 178.83 179.74 2cra h ILE 51 N 0.40 1.26 0.27 2.54 2.04 -1.30 -2.16 117.51 120.56 2cra h ILE 51 Ca 0.19 -0.71 -0.01 0.00 1.00 0.00 0.00 64.86 65.32 2cra h ILE 51 Cb 0.12 0.17 0.00 0.00 -0.74 0.00 0.00 36.82 36.37 2cra h ILE 51 CO -0.15 0.31 -0.13 0.74 0.00 0.00 0.00 178.15 178.92 2cra h THR 52 N 1.20 0.77 -0.29 -0.27 2.02 -1.06 -2.24 112.91 113.05 2cra h THR 52 Ca 0.29 -0.39 0.07 0.00 0.77 0.00 0.00 66.41 67.15 2cra h THR 52 Cb 0.11 0.99 -0.07 0.00 -1.74 0.00 0.00 68.15 67.44 2cra h THR 52 CO -0.04 0.08 -0.18 0.40 0.37 0.00 0.00 175.52 176.16 2cra h ILE 53 N -0.57 0.49 -0.93 3.11 2.04 -0.93 0.36 117.51 121.08 2cra h ILE 53 Ca -0.04 0.00 0.11 0.00 1.00 0.00 0.00 64.86 65.94 2cra h ILE 53 Cb 0.42 0.49 -0.07 0.00 -0.74 0.00 0.00 36.82 36.91 2cra h ILE 53 CO 0.06 0.00 0.59 -0.25 0.00 0.00 0.00 178.15 178.56 2cra h TRP 54 N -0.15 0.99 0.00 1.37 7.01 -1.38 0.17 115.95 123.96 2cra h TRP 54 Ca 0.15 0.03 -0.05 0.00 2.11 0.00 0.00 58.89 61.13 2cra h TRP 54 Cb 0.39 -0.32 -0.01 0.00 -2.10 0.00 0.00 29.16 27.12 2cra h TRP 54 CO -0.37 0.42 -0.25 0.74 -2.79 0.00 0.00 178.44 176.20 2cra h PHE 55 N 0.88 0.00 0.08 2.65 -1.00 -0.49 -3.12 116.94 115.95 2cra h PHE 55 Ca 0.45 0.00 -0.14 0.00 2.81 0.00 0.00 57.97 61.09 2cra h PHE 55 Cb 0.49 0.00 0.02 0.00 3.61 0.00 0.00 35.95 40.07 2cra h PHE 55 CO -0.00 0.25 -0.59 1.96 -1.61 0.00 0.00 178.31 178.31 2cra h GLN 56 N 0.00 0.26 -0.02 1.51 4.20 0.13 -3.17 115.11 118.01 2cra h GLN 56 Ca -0.00 -0.39 0.00 0.00 0.06 0.00 0.00 58.65 58.33 2cra h GLN 56 Cb 0.80 0.14 -0.00 0.00 0.30 0.00 0.00 27.48 28.71 2cra h GLN 56 CO 0.03 1.15 0.05 -0.91 -0.67 0.00 0.00 178.83 178.49 2cra h ASN 57 N -0.44 0.00 0.03 1.46 2.35 -1.08 0.25 115.58 118.15 2cra h ASN 57 Ca -0.10 0.00 -0.00 0.00 -0.55 0.00 0.00 56.30 55.65 2cra h ASN 57 Cb 1.42 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.79 2cra h ASN 57 CO 0.11 0.00 -0.02 -0.09 -1.65 0.00 0.00 177.43 175.79 2cra h ARG 58 N 0.00 -0.04 -0.27 0.81 9.65 -1.57 -2.53 114.38 120.42 2cra h ARG 58 Ca 0.01 0.00 -0.17 0.00 -1.10 0.00 0.00 59.98 58.72 2cra h ARG 58 Cb 0.12 0.01 -0.00 0.00 -1.39 0.00 0.00 29.97 28.70 2cra h ARG 58 CO -0.00 0.64 -0.50 0.00 2.80 0.00 0.00 179.97 182.92 2cra h ARG 59 N -0.89 0.76 0.00 0.20 2.47 -1.41 -2.91 114.38 112.60 2cra h ARG 59 Ca -0.00 -0.45 -0.02 0.00 -1.26 0.00 0.00 59.98 58.24 2cra h ARG 59 Cb 0.70 0.04 -0.00 0.00 -1.65 0.00 0.00 29.97 29.06 2cra h ARG 59 CO 0.01 1.07 -0.11 0.28 0.56 0.00 0.00 179.97 181.79 2cra h VAL 60 N 0.59 0.32 0.59 2.04 2.07 -0.65 -3.12 116.25 118.09 2cra h VAL 60 Ca 0.03 -0.70 -0.03 0.00 0.82 0.00 0.00 66.70 66.82 2cra h VAL 60 Cb 1.07 1.53 0.01 0.00 -1.52 0.00 0.00 31.29 32.37 2cra h VAL 60 CO 0.11 0.10 -0.28 0.50 0.02 0.00 0.00 177.57 178.02 2cra h LYS 61 N 0.00 -0.76 -0.19 1.57 3.64 -1.24 0.24 116.57 119.83 2cra h LYS 61 Ca -0.00 0.05 0.06 0.00 -1.27 0.00 0.00 60.65 59.49 2cra h LYS 61 Cb 0.52 0.17 -0.01 0.00 -0.41 0.00 0.00 32.23 32.51 2cra h LYS 61 CO 0.01 -0.45 0.18 1.05 -2.27 0.00 0.00 179.45 177.98 2cra h GLU 62 N -1.03 0.00 -0.44 1.90 4.11 -1.59 -0.38 114.58 117.15 2cra h GLU 62 Ca -0.08 0.00 -0.27 0.00 0.07 0.00 0.00 59.36 59.08 2cra h GLU 62 Cb 0.67 0.00 -0.17 0.00 0.50 0.00 0.00 28.75 29.74 2cra h GLU 62 CO 0.13 0.00 -0.19 0.36 0.07 0.00 0.00 179.01 179.39 2cra n LYS 63 N -3.98 2.20 -3.30 1.06 -0.00 -1.09 -5.03 118.16 108.03 2cra n LYS 63 Ca 0.02 -3.40 -0.30 0.00 -0.00 0.00 0.00 58.31 54.63 2cra n LYS 63 Cb 0.31 -1.92 -0.04 0.00 -0.00 0.00 0.00 35.03 33.38 2cra n LYS 63 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.40 177.61 2cra s LYS 64 N -3.37 3.70 -0.39 -1.58 2.20 0.84 -4.93 119.74 116.21 2cra s LYS 64 Ca 0.47 0.15 0.02 0.00 -0.36 0.00 0.00 55.97 56.24 2cra s LYS 64 Cb 0.41 -2.61 0.12 0.00 -1.51 0.00 0.00 37.83 34.24 2cra s LYS 64 CO -0.00 0.21 0.17 -1.12 -0.36 0.00 0.00 175.35 174.25 2cra s SER 65 N -2.92 3.97 0.00 1.43 0.01 -1.26 -5.04 113.70 109.89 2cra s SER 65 Ca 0.46 -2.29 0.00 0.00 1.31 0.00 0.00 55.95 55.43 2cra s SER 65 Cb -0.11 -1.11 0.00 0.00 0.21 0.00 0.00 66.02 65.01 2cra s SER 65 CO 0.27 -0.33 0.00 0.61 0.41 0.00 0.00 173.24 174.21 2cra n GLY 66 N 4.01 3.91 3.77 3.44 0.00 -1.26 -5.16 105.19 113.90 2cra n GLY 66 Ca 0.04 -1.44 -0.33 0.00 0.00 0.00 0.00 46.02 44.30 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 -1.10 2.71 0.31 1.61 0.04 -1.26 -4.96 135.00 132.36 2cra s PRO 67 Ca 0.00 1.35 -0.29 0.00 0.04 0.00 0.00 61.00 62.10 2cra s PRO 67 Cb 0.00 -1.94 -0.12 0.00 0.04 0.00 0.00 34.50 32.48 2cra s PRO 67 CO 0.00 -1.31 1.43 0.45 0.04 0.00 0.00 177.00 177.61 2cra n SER 68 N -2.61 3.23 -0.02 6.66 2.88 -1.26 -4.91 113.62 117.58 2cra n SER 68 Ca 0.10 1.18 -0.03 0.00 -1.33 0.00 0.00 58.87 58.79 2cra n SER 68 Cb 0.52 -1.52 -0.02 0.00 -0.75 0.00 0.00 64.21 62.44 2cra n SER 68 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 2cra n SER 69 N 1.39 3.65 0.00 -3.46 2.88 -1.26 -5.32 113.62 111.50 2cra n SER 69 Ca 0.07 -0.02 0.00 0.00 -1.33 0.00 0.00 58.87 57.58 2cra n SER 69 Cb 0.36 -0.05 0.00 0.00 -0.75 0.00 0.00 64.21 63.77 2cra n SER 69 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42