#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 4.52 -0.01 1.61 0.15 -1.26 -5.03 113.70 113.69 2cra s SER 2 Ca 0.00 -0.14 -0.02 0.00 0.70 0.00 0.00 55.95 56.49 2cra s SER 2 Cb 0.00 -1.48 -0.01 0.00 -1.71 0.00 0.00 66.02 62.83 2cra s SER 2 CO 0.00 0.24 -0.03 -1.20 1.20 0.00 0.00 173.24 173.45 2cra n SER 3 N 3.01 0.30 0.00 5.45 7.64 -1.26 -5.16 113.62 123.61 2cra n SER 3 Ca -0.18 0.05 0.00 0.00 1.01 0.00 0.00 58.87 59.75 2cra n SER 3 Cb 0.53 -0.29 0.00 0.00 -1.01 0.00 0.00 64.21 63.44 2cra n SER 3 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2cra n GLY 4 N 2.58 1.70 3.30 0.23 0.00 -1.26 -5.14 105.19 106.60 2cra n GLY 4 Ca -0.01 -1.97 -0.04 0.00 0.00 0.00 0.00 46.02 44.00 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 0.00 -1.66 -4.81 1.61 3.41 -1.26 -5.18 113.62 105.73 2cra n SER 5 Ca 0.00 -1.98 -0.22 0.00 -0.26 0.00 0.00 58.87 56.41 2cra n SER 5 Cb 0.00 2.73 -0.05 0.00 -0.26 0.00 0.00 64.21 66.63 2cra n SER 5 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 2cra s SER 6 N -3.00 5.43 0.00 4.04 0.01 -1.26 -5.07 113.70 113.86 2cra s SER 6 Ca 0.18 -0.29 0.00 0.00 1.31 0.00 0.00 55.95 57.14 2cra s SER 6 Cb -0.03 -1.34 0.00 0.00 0.21 0.00 0.00 66.02 64.86 2cra s SER 6 CO 0.07 -0.05 0.00 0.61 0.41 0.00 0.00 173.24 174.28 2cra n GLY 7 N -1.16 3.58 3.58 3.44 0.00 -1.26 -4.99 105.19 108.37 2cra n GLY 7 Ca -0.07 -0.92 -0.40 0.00 0.00 0.00 0.00 46.02 44.62 2cra n GLY 7 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2cra s ARG 8 N -4.57 3.70 -0.39 1.61 0.52 -1.26 -4.82 118.95 113.73 2cra s ARG 8 Ca 0.00 -1.80 0.01 0.00 -0.52 0.00 0.00 55.73 53.43 2cra s ARG 8 Cb 0.00 -5.48 0.14 0.00 0.52 0.00 0.00 34.95 30.14 2cra s ARG 8 CO 0.00 -2.56 0.24 0.15 0.02 0.00 0.00 175.30 173.14 2cra s LYS 9 N 4.68 0.87 -0.98 3.54 -0.14 -1.26 -4.93 119.74 121.52 2cra s LYS 9 Ca 0.56 -1.66 -0.10 0.00 -1.36 0.00 0.00 55.97 53.40 2cra s LYS 9 Cb 0.03 -1.71 -0.02 0.00 -1.68 0.00 0.00 37.83 34.46 2cra s LYS 9 CO 0.08 -1.21 0.76 1.63 -0.76 0.00 0.00 175.35 175.85 2cra n LYS 10 N 3.74 -1.45 -3.98 1.68 5.02 -1.26 -5.01 118.16 116.90 2cra n LYS 10 Ca 0.12 0.82 -0.10 0.00 -2.02 0.00 0.00 58.31 57.13 2cra n LYS 10 Cb 0.37 -4.51 -0.04 0.00 -0.02 0.00 0.00 35.03 30.83 2cra n LYS 10 CO 0.00 0.00 0.00 -0.98 -0.52 0.00 0.00 177.40 175.90 2cra s ARG 11 N -4.85 1.72 0.22 1.97 1.04 -1.26 -5.13 118.95 112.66 2cra s ARG 11 Ca 0.29 -1.35 -0.31 0.00 -1.04 0.00 0.00 55.73 53.31 2cra s ARG 11 Cb -0.09 0.50 -0.14 0.00 -2.04 0.00 0.00 34.95 33.18 2cra s ARG 11 CO 0.82 -0.74 1.30 -0.89 -0.04 0.00 0.00 175.30 175.75 2cra n ILE 12 N -0.44 1.03 -1.02 4.99 2.08 -1.26 -4.99 119.36 119.75 2cra n ILE 12 Ca -0.02 -0.26 0.00 0.00 0.56 0.00 0.00 62.75 63.03 2cra n ILE 12 Cb 0.61 -1.23 0.00 0.00 -0.75 0.00 0.00 39.64 38.27 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 1.81 0.02 -2.08 0.38 -0.04 -1.26 -4.93 135.00 128.90 2cra n PRO 13 Ca 0.12 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.58 2cra n PRO 13 Cb 0.29 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.75 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 -1.98 -3.89 -1.04 0.54 4.01 -1.26 -4.98 117.16 108.56 2cra n TYR 14 Ca 0.00 2.32 -0.29 0.00 -0.16 0.00 0.00 57.90 59.76 2cra n TYR 14 Cb 0.00 -3.49 0.17 0.00 -0.31 0.00 0.00 39.34 35.71 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 2.83 0.23 7.72 0.15 -1.26 -4.65 113.70 118.24 2cra s SER 15 Ca 0.00 1.51 -0.07 0.00 0.70 0.00 0.00 55.95 58.09 2cra s SER 15 Cb 0.00 -2.18 0.36 0.00 -1.71 0.00 0.00 66.02 62.50 2cra s SER 15 CO 0.00 -3.04 1.72 0.50 1.20 0.00 0.00 173.24 173.62 2cra h LYS 16 N -1.83 0.35 -0.72 5.44 3.64 -1.98 0.16 116.57 121.63 2cra h LYS 16 Ca -0.52 -0.02 -0.01 0.00 -1.27 0.00 0.00 60.65 58.83 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 0.53 0.23 0.41 0.78 -2.27 0.00 0.00 179.45 179.13 2cra h GLY 17 N 0.36 1.05 0.84 5.01 0.00 -1.98 0.20 103.07 108.55 2cra h GLY 17 Ca 0.36 -0.46 -0.02 0.00 0.00 0.00 0.00 47.33 47.21 2cra h GLY 17 CO -0.39 0.44 0.04 1.46 0.00 0.00 0.00 176.54 178.09 2cra h GLN 18 N 0.98 0.31 0.00 4.80 4.20 -1.57 -2.72 115.11 121.12 2cra h GLN 18 Ca 0.25 -0.08 -0.03 0.00 0.06 0.00 0.00 58.65 58.86 2cra h GLN 18 Cb 0.01 -0.04 -0.00 0.00 0.30 0.00 0.00 27.48 27.74 2cra h GLN 18 CO -0.04 0.46 -0.13 -0.07 -0.67 0.00 0.00 178.83 178.38 2cra h LEU 19 N 0.11 0.00 -2.87 1.46 3.38 -0.85 -2.68 115.31 113.86 2cra h LEU 19 Ca 0.06 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.03 2cra h LEU 19 Cb 0.30 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.05 2cra h LEU 19 CO 0.00 0.13 0.00 -0.09 0.09 0.00 0.00 178.44 178.57 2cra h ARG 20 N 0.00 0.00 0.00 1.13 9.65 -0.26 0.48 114.38 125.39 2cra h ARG 20 Ca -0.00 0.00 -0.33 0.00 -1.10 0.00 0.00 59.98 58.54 2cra h ARG 20 Cb 0.60 0.00 -0.06 0.00 -1.39 0.00 0.00 29.97 29.12 2cra h ARG 20 CO 0.02 0.00 -2.26 0.39 2.80 0.00 0.00 179.97 180.91 2cra n GLU 21 N -3.05 0.82 -0.12 0.20 -0.58 -1.02 -4.26 120.64 112.63 2cra n GLU 21 Ca -0.03 0.06 -0.10 0.00 -0.42 0.00 0.00 57.16 56.68 2cra n GLU 21 Cb 0.08 -1.46 0.05 0.00 -0.57 0.00 0.00 31.44 29.54 2cra n GLU 21 CO 0.00 0.00 0.00 -0.07 -0.48 0.00 0.00 177.13 176.58 2cra h LEU 22 N 0.00 0.89 -0.47 -4.62 3.38 -1.32 -2.81 115.31 110.38 2cra h LEU 22 Ca -0.50 -0.34 0.01 0.00 0.09 0.00 0.00 57.88 57.14 2cra h LEU 22 Cb 1.94 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 42.42 2cra h LEU 22 CO -0.03 1.09 0.30 -0.33 0.09 0.00 0.00 178.44 179.57 2cra h GLU 23 N 0.75 0.60 0.96 1.13 5.08 -1.14 -0.73 114.58 121.23 2cra h GLU 23 Ca 0.10 -0.04 -0.05 0.00 -1.00 0.00 0.00 59.36 58.37 2cra h GLU 23 Cb 0.79 -0.14 0.01 0.00 0.50 0.00 0.00 28.75 29.91 2cra h GLU 23 CO 0.07 0.40 -0.49 0.00 -1.00 0.00 0.00 179.01 177.98 2cra h ARG 24 N 0.62 -1.28 -0.90 2.33 2.47 -1.72 -0.28 114.38 115.62 2cra h ARG 24 Ca 0.17 0.09 0.18 0.00 -1.26 0.00 0.00 59.98 59.16 2cra h ARG 24 Cb -0.06 0.29 -0.07 0.00 -1.65 0.00 0.00 29.97 28.48 2cra h ARG 24 CO -0.05 -0.85 0.59 0.93 0.56 0.00 0.00 179.97 181.15 2cra h GLU 25 N -1.33 0.51 -0.09 0.04 3.07 -1.45 0.23 114.58 115.56 2cra h GLU 25 Ca -0.13 -0.03 -0.01 0.00 -0.50 0.00 0.00 59.36 58.68 2cra h GLU 25 Cb 1.03 -0.11 -0.00 0.00 -0.84 0.00 0.00 28.75 28.82 2cra h GLU 25 CO 0.20 0.33 -0.00 -0.92 -1.40 0.00 0.00 179.01 177.22 2cra h TYR 26 N 0.52 0.17 0.00 4.33 3.20 -0.79 0.24 116.97 124.64 2cra h TYR 26 Ca 0.47 -0.03 -0.08 0.00 3.14 0.00 0.00 58.73 62.23 2cra h TYR 26 Cb 1.01 -0.04 -0.01 0.00 1.54 0.00 0.00 36.73 39.22 2cra h TYR 26 CO -0.00 0.42 -0.40 0.00 -1.64 0.00 0.00 178.16 176.54 2cra h ALA 27 N 0.73 1.33 0.00 1.82 0.00 0.19 -2.66 119.26 120.67 2cra h ALA 27 Ca 0.02 -0.36 -0.13 0.00 0.00 0.00 0.00 54.91 54.44 2cra h ALA 27 Cb 0.35 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.06 2cra h ALA 27 CO 0.00 0.50 -0.68 0.00 0.00 0.00 0.00 179.25 179.07 2cra h ALA 28 N 1.60 0.63 -0.56 0.00 0.00 -0.45 -3.45 119.26 117.03 2cra h ALA 28 Ca -0.00 -0.57 0.18 0.00 0.00 0.00 0.00 54.91 54.52 2cra h ALA 28 Cb 0.71 -0.05 -0.21 0.00 0.00 0.00 0.00 17.79 18.25 2cra h ALA 28 CO 0.05 0.75 -0.04 0.54 0.00 0.00 0.00 179.25 180.55 2cra s ASN 29 N -6.41 -0.80 0.54 0.00 2.20 0.82 -5.02 114.94 106.27 2cra s ASN 29 Ca 0.03 0.42 0.27 0.00 -0.94 0.00 0.00 52.86 52.64 2cra s ASN 29 Cb 0.08 1.64 1.44 0.00 -2.00 0.00 0.00 41.25 42.41 2cra s ASN 29 CO 0.76 -0.15 1.98 0.11 -2.94 0.00 0.00 177.10 176.86 2cra h LYS 30 N 7.92 0.00 -4.73 3.55 1.79 -1.69 -3.34 116.57 120.06 2cra h LYS 30 Ca -0.15 0.00 -0.66 0.00 -2.18 0.00 0.00 60.65 57.66 2cra h LYS 30 Cb 1.17 0.00 -0.39 0.00 -1.58 0.00 0.00 32.23 31.43 2cra h LYS 30 CO 0.02 0.00 -0.75 -0.06 -1.08 0.00 0.00 179.45 177.58 2cra s PHE 31 N -4.93 3.51 0.85 -1.35 0.40 -1.26 -4.95 117.98 110.25 2cra s PHE 31 Ca -0.05 -2.69 -0.12 0.00 -0.60 0.00 0.00 56.93 53.47 2cra s PHE 31 Cb 0.19 -2.48 0.10 0.00 0.51 0.00 0.00 43.02 41.34 2cra s PHE 31 CO 0.70 -0.92 1.14 0.96 0.70 0.00 0.00 175.22 177.81 2cra s ILE 32 N 1.00 2.20 0.26 0.64 -4.36 -1.25 -5.08 121.20 114.61 2cra s ILE 32 Ca 0.03 0.06 0.07 0.00 -0.26 0.00 0.00 60.65 60.55 2cra s ILE 32 Cb -0.19 -2.91 -0.03 0.00 1.25 0.00 0.00 42.46 40.57 2cra s ILE 32 CO -0.07 -0.08 0.22 0.28 0.24 0.00 0.00 174.94 175.53 2cra s THR 33 N -3.37 4.46 0.44 8.37 -1.32 -1.26 -4.94 115.64 118.02 2cra s THR 33 Ca 0.63 -1.36 0.21 0.00 -1.21 0.00 0.00 61.69 59.96 2cra s THR 33 Cb -0.13 -3.43 0.41 0.00 -1.51 0.00 0.00 72.50 67.83 2cra s THR 33 CO 0.52 -0.34 1.85 0.11 -2.21 0.00 0.00 174.62 174.56 2cra h LYS 34 N 1.44 0.30 -0.15 7.08 1.57 -1.99 0.30 116.57 125.12 2cra h LYS 34 Ca -0.49 -0.02 -0.16 0.00 -1.87 0.00 0.00 60.65 58.12 2cra h LYS 34 Cb 1.24 -0.07 -0.01 0.00 0.08 0.00 0.00 32.23 33.47 2cra h LYS 34 CO 0.61 0.20 -0.57 0.22 -0.57 0.00 0.00 179.45 179.33 2cra h ASP 35 N 0.31 0.53 -0.05 0.86 3.58 -2.00 -3.05 116.42 116.59 2cra h ASP 35 Ca 0.47 -0.29 -0.05 0.00 0.42 0.00 0.00 57.03 57.59 2cra h ASP 35 Cb 1.33 -0.15 0.00 0.00 1.72 0.00 0.00 39.33 42.23 2cra h ASP 35 CO -0.15 0.99 -0.16 0.50 -2.88 0.00 0.00 179.24 177.54 2cra h LYS 36 N 0.36 0.20 -0.87 0.28 1.63 -0.88 -3.08 116.57 114.20 2cra h LYS 36 Ca 0.00 -0.14 0.20 0.00 -0.85 0.00 0.00 60.65 59.86 2cra h LYS 36 Cb 1.10 0.02 -0.06 0.00 -0.60 0.00 0.00 32.23 32.70 2cra h LYS 36 CO 0.10 0.76 0.59 -0.09 -3.45 0.00 0.00 179.45 177.36 2cra h ARG 37 N -0.33 0.33 -0.12 1.90 2.43 -1.03 0.28 114.38 117.84 2cra h ARG 37 Ca -0.00 -0.02 -0.14 0.00 -0.81 0.00 0.00 59.98 59.01 2cra h ARG 37 Cb 0.77 -0.07 -0.01 0.00 -0.42 0.00 0.00 29.97 30.24 2cra h ARG 37 CO 0.03 0.22 -0.52 0.00 -1.51 0.00 0.00 179.97 178.19 2cra h ARG 38 N 0.34 0.33 -0.04 0.20 3.08 -1.50 -2.13 114.38 114.65 2cra h ARG 38 Ca 0.45 -0.20 -0.04 0.00 0.07 0.00 0.00 59.98 60.26 2cra h ARG 38 Cb 1.21 0.02 0.00 0.00 0.08 0.00 0.00 29.97 31.28 2cra h ARG 38 CO -0.14 0.77 -0.13 0.87 -1.07 0.00 0.00 179.97 180.27 2cra h LYS 39 N 0.26 0.16 -0.65 0.04 1.79 -0.43 -3.14 116.57 114.59 2cra h LYS 39 Ca 0.01 -0.12 -0.01 0.00 -2.18 0.00 0.00 60.65 58.35 2cra h LYS 39 Cb 1.01 0.02 -0.03 0.00 -1.58 0.00 0.00 32.23 31.64 2cra h LYS 39 CO 0.09 0.74 0.37 0.82 -1.08 0.00 0.00 179.45 180.39 2cra h ILE 40 N -0.39 1.19 0.00 1.86 2.04 -1.19 -0.94 117.51 120.08 2cra h ILE 40 Ca -0.00 -0.45 -0.01 0.00 1.00 0.00 0.00 64.86 65.39 2cra h ILE 40 Cb 0.75 0.30 -0.00 0.00 -0.74 0.00 0.00 36.82 37.13 2cra h ILE 40 CO 0.03 0.21 -0.05 -1.28 0.00 0.00 0.00 178.15 177.06 2cra h SER 41 N 0.90 0.00 0.22 1.72 0.87 -1.41 0.23 113.55 116.08 2cra h SER 41 Ca 0.23 0.00 -0.35 0.00 -1.23 0.00 0.00 61.79 60.44 2cra h SER 41 Cb -0.00 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 61.94 2cra h SER 41 CO -0.04 0.05 -1.87 0.00 -0.53 0.00 0.00 176.83 174.44 2cra h ALA 42 N 1.95 0.41 -0.04 6.23 0.00 -1.16 -1.57 119.26 125.08 2cra h ALA 42 Ca -0.00 -1.33 -0.08 0.00 0.00 0.00 0.00 54.91 53.50 2cra h ALA 42 Cb 0.21 0.59 0.00 0.00 0.00 0.00 0.00 17.79 18.59 2cra h ALA 42 CO 0.01 1.28 -0.29 0.00 0.00 0.00 0.00 179.25 180.24 2cra h ALA 43 N 0.24 0.09 0.00 0.00 0.00 -0.90 -3.26 119.26 115.43 2cra h ALA 43 Ca -0.37 -0.45 0.00 0.00 0.00 0.00 0.00 54.91 54.09 2cra h ALA 43 Cb 2.04 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.84 2cra h ALA 43 CO 0.11 0.14 -0.46 0.25 0.00 0.00 0.00 179.25 179.29 2cra n THR 44 N -4.46 0.03 -2.25 0.00 -2.24 0.78 -4.94 114.28 101.20 2cra n THR 44 Ca -0.09 -0.03 -0.17 0.00 -2.27 0.00 0.00 64.05 61.49 2cra n THR 44 Cb 0.50 0.14 -0.01 0.00 -2.10 0.00 0.00 70.33 68.85 2cra n THR 44 CO 0.00 0.00 0.00 -0.24 -0.57 0.00 0.00 175.07 174.26 2cra n SER 45 N -1.56 -5.13 -4.45 3.42 2.88 -0.64 -4.89 113.62 103.25 2cra n SER 45 Ca 0.05 0.03 -0.17 0.00 -1.33 0.00 0.00 58.87 57.45 2cra n SER 45 Cb 0.35 -4.21 0.05 0.00 -0.75 0.00 0.00 64.21 59.64 2cra n SER 45 CO 0.00 0.00 0.00 0.18 -1.23 0.00 0.00 175.04 173.99 2cra n LEU 46 N -2.46 0.00 -4.89 2.46 4.77 -0.89 -4.97 117.00 111.02 2cra n LEU 46 Ca -0.20 -2.16 -0.28 0.00 -0.03 0.00 0.00 56.01 53.34 2cra n LEU 46 Cb 0.65 -0.30 -0.04 0.00 -2.33 0.00 0.00 43.42 41.40 2cra n LEU 46 CO 0.24 -0.65 -0.15 -0.44 -1.33 0.00 0.00 177.39 175.06 2cra s SER 47 N -3.96 6.08 0.26 -1.43 0.01 -1.26 -4.50 113.70 108.90 2cra s SER 47 Ca 0.46 0.11 -0.02 0.00 1.31 0.00 0.00 55.95 57.82 2cra s SER 47 Cb -0.04 -1.78 0.51 0.00 0.21 0.00 0.00 66.02 64.93 2cra s SER 47 CO 0.30 0.10 1.75 -0.33 0.41 0.00 0.00 173.24 175.47 2cra h GLU 48 N 2.55 0.56 -0.02 12.44 5.08 -1.96 -0.91 114.58 132.31 2cra h GLU 48 Ca -0.47 -0.03 -0.00 0.00 -1.00 0.00 0.00 59.36 57.85 2cra h GLU 48 Cb 1.18 -0.13 -0.00 0.00 0.50 0.00 0.00 28.75 30.31 2cra h GLU 48 CO 0.69 0.37 0.00 -0.09 -1.00 0.00 0.00 179.01 178.98 2cra h ARG 49 N 0.58 0.04 0.00 2.33 9.65 -1.97 -2.39 114.38 122.62 2cra h ARG 49 Ca 0.45 -0.01 0.03 0.00 -1.10 0.00 0.00 59.98 59.35 2cra h ARG 49 Cb 0.64 -0.00 -0.05 0.00 -1.39 0.00 0.00 29.97 29.16 2cra h ARG 49 CO -0.37 0.30 -0.36 1.96 2.80 0.00 0.00 179.97 184.30 2cra h GLN 50 N -0.22 -0.49 -0.80 0.20 1.08 -1.74 -0.55 115.11 112.58 2cra h GLN 50 Ca 0.01 0.03 0.13 0.00 -1.45 0.00 0.00 58.65 57.37 2cra h GLN 50 Cb 0.28 0.11 -0.09 0.00 -0.05 0.00 0.00 27.48 27.73 2cra h GLN 50 CO 0.00 -0.33 0.39 0.82 -0.95 0.00 0.00 178.83 178.76 2cra h ILE 51 N -0.51 0.74 0.13 2.54 2.04 -1.22 -1.90 117.51 119.33 2cra h ILE 51 Ca 0.06 -0.20 -0.00 0.00 1.00 0.00 0.00 64.86 65.71 2cra h ILE 51 Cb 0.60 0.10 -0.00 0.00 -0.74 0.00 0.00 36.82 36.78 2cra h ILE 51 CO -0.29 0.11 -0.09 0.74 0.00 0.00 0.00 178.15 178.62 2cra h THR 52 N 0.59 0.81 -0.71 -0.27 2.02 -0.78 -1.61 112.91 112.96 2cra h THR 52 Ca 0.43 0.00 0.13 0.00 0.77 0.00 0.00 66.41 67.74 2cra h THR 52 Cb 0.59 0.81 -0.09 0.00 -1.74 0.00 0.00 68.15 67.71 2cra h THR 52 CO -0.35 0.00 0.25 0.40 0.37 0.00 0.00 175.52 176.19 2cra h ILE 53 N -0.22 0.66 -0.76 3.11 2.04 -0.37 0.10 117.51 122.06 2cra h ILE 53 Ca -0.01 -0.13 -0.04 0.00 1.00 0.00 0.00 64.86 65.68 2cra h ILE 53 Cb 0.19 0.23 -0.03 0.00 -0.74 0.00 0.00 36.82 36.46 2cra h ILE 53 CO 0.01 0.07 0.32 -0.25 0.00 0.00 0.00 178.15 178.30 2cra h TRP 54 N 0.39 1.13 0.00 1.37 7.01 -1.10 0.11 115.95 124.87 2cra h TRP 54 Ca 0.38 -0.07 -0.07 0.00 2.11 0.00 0.00 58.89 61.24 2cra h TRP 54 Cb 0.57 -0.34 -0.01 0.00 -2.10 0.00 0.00 29.16 27.27 2cra h TRP 54 CO -0.19 0.85 -0.34 0.74 -2.79 0.00 0.00 178.44 176.71 2cra h PHE 55 N 1.10 0.00 0.00 2.65 -1.00 -0.05 -2.10 116.94 117.55 2cra h PHE 55 Ca 0.26 0.00 -0.03 0.00 2.81 0.00 0.00 57.97 61.00 2cra h PHE 55 Cb 0.18 0.00 -0.01 0.00 3.61 0.00 0.00 35.95 39.73 2cra h PHE 55 CO 0.02 0.34 -0.20 1.96 -1.61 0.00 0.00 178.31 178.81 2cra h GLN 56 N 0.00 0.00 0.00 1.51 1.08 -0.18 -3.29 115.11 114.23 2cra h GLN 56 Ca -0.00 0.00 -0.00 0.00 -1.45 0.00 0.00 58.65 57.19 2cra h GLN 56 Cb 0.77 0.00 -0.00 0.00 -0.05 0.00 0.00 27.48 28.20 2cra h GLN 56 CO 0.04 0.89 -0.02 -0.91 -0.95 0.00 0.00 178.83 177.88 2cra h ASN 57 N -1.00 0.00 0.73 1.46 2.35 -0.83 0.29 115.58 118.59 2cra h ASN 57 Ca -0.05 0.00 -0.07 0.00 -0.55 0.00 0.00 56.30 55.63 2cra h ASN 57 Cb 0.94 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 39.30 2cra h ASN 57 CO -0.03 0.02 -0.32 -0.09 -1.65 0.00 0.00 177.43 175.36 2cra h ARG 58 N 0.00 0.00 0.00 0.81 9.65 -1.47 -0.49 114.38 122.88 2cra h ARG 58 Ca -0.00 0.00 -0.38 0.00 -1.10 0.00 0.00 59.98 58.50 2cra h ARG 58 Cb 0.06 0.00 -0.07 0.00 -1.39 0.00 0.00 29.97 28.57 2cra h ARG 58 CO 0.00 0.32 -2.41 0.54 2.80 0.00 0.00 179.97 181.22 2cra n ARG 59 N -3.59 0.68 0.19 0.20 1.74 -0.22 -4.34 116.66 111.33 2cra n ARG 59 Ca -0.01 0.05 0.08 0.00 -0.77 0.00 0.00 57.85 57.20 2cra n ARG 59 Cb 0.45 -1.52 0.27 0.00 -1.02 0.00 0.00 32.46 30.64 2cra n ARG 59 CO 0.00 0.00 0.00 0.28 -1.52 0.00 0.00 177.63 176.39 2cra h VAL 60 N 0.00 0.58 0.35 1.55 2.07 -0.51 -3.30 116.25 116.99 2cra h VAL 60 Ca -0.56 -1.48 -0.00 0.00 0.82 0.00 0.00 66.70 65.48 2cra h VAL 60 Cb 2.13 2.02 -0.02 0.00 -1.52 0.00 0.00 31.29 33.90 2cra h VAL 60 CO -0.01 0.28 -0.30 0.50 0.02 0.00 0.00 177.57 178.06 2cra h LYS 61 N 0.00 -0.64 -0.37 1.57 3.64 -1.27 0.21 116.57 119.71 2cra h LYS 61 Ca -0.00 0.04 0.11 0.00 -1.27 0.00 0.00 60.65 59.53 2cra h LYS 61 Cb 1.00 0.14 -0.01 0.00 -0.41 0.00 0.00 32.23 32.95 2cra h LYS 61 CO 0.04 -0.42 0.27 1.05 -2.27 0.00 0.00 179.45 178.11 2cra h GLU 62 N -0.66 0.00 -0.73 1.90 4.11 -1.79 -0.74 114.58 116.67 2cra h GLU 62 Ca -0.02 0.00 -0.50 0.00 0.07 0.00 0.00 59.36 58.91 2cra h GLU 62 Cb 0.59 0.00 -0.31 0.00 0.50 0.00 0.00 28.75 29.53 2cra h GLU 62 CO -0.03 0.00 -0.10 0.36 0.07 0.00 0.00 179.01 179.31 2cra n LYS 63 N -4.42 2.86 -3.74 1.06 -0.00 -0.69 -5.00 118.16 108.23 2cra n LYS 63 Ca 0.06 -3.64 -0.36 0.00 -0.00 0.00 0.00 58.31 54.37 2cra n LYS 63 Cb 0.45 -2.17 -0.08 0.00 -0.00 0.00 0.00 35.03 33.24 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 -3.58 4.05 -0.12 -1.58 2.47 0.67 -4.95 119.74 116.70 2cra s LYS 64 Ca 0.54 -0.17 0.02 0.00 -1.56 0.00 0.00 55.97 54.79 2cra s LYS 64 Cb 0.44 -3.37 0.01 0.00 -1.46 0.00 0.00 37.83 33.45 2cra s LYS 64 CO 0.02 0.39 -0.17 0.45 0.16 0.00 0.00 175.35 176.20 2cra s SER 65 N 0.08 2.65 0.00 1.43 0.15 -1.26 -5.03 113.70 111.72 2cra s SER 65 Ca 0.10 -0.48 0.00 0.00 0.70 0.00 0.00 55.95 56.27 2cra s SER 65 Cb -0.11 -1.19 0.00 0.00 -1.71 0.00 0.00 66.02 63.00 2cra s SER 65 CO -0.00 0.02 0.00 0.61 1.20 0.00 0.00 173.24 175.07 2cra n GLY 66 N 4.25 1.19 3.63 9.45 0.00 -1.26 -5.04 105.19 117.41 2cra n GLY 66 Ca -0.19 -1.92 -0.29 0.00 0.00 0.00 0.00 46.02 43.62 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 -2.30 -0.44 0.24 1.61 0.04 -1.26 -4.96 135.00 127.93 2cra s PRO 67 Ca 0.00 0.21 -0.31 0.00 0.04 0.00 0.00 61.00 60.95 2cra s PRO 67 Cb 0.00 -1.66 -0.10 0.00 0.04 0.00 0.00 34.50 32.77 2cra s PRO 67 CO 0.00 -3.25 1.53 0.45 0.04 0.00 0.00 177.00 175.76 2cra s SER 68 N -3.67 6.55 0.26 6.66 0.15 -1.26 -5.00 113.70 117.39 2cra s SER 68 Ca 0.68 2.73 0.06 0.00 0.70 0.00 0.00 55.95 60.12 2cra s SER 68 Cb -0.14 -2.62 -0.02 0.00 -1.71 0.00 0.00 66.02 61.53 2cra s SER 68 CO 0.57 -0.80 0.20 -1.54 1.20 0.00 0.00 173.24 172.87 2cra n SER 69 N 2.81 -0.33 0.00 5.45 3.41 -1.26 -5.28 113.62 118.42 2cra n SER 69 Ca 0.09 -2.67 0.00 0.00 -0.26 0.00 0.00 58.87 56.03 2cra n SER 69 Cb 0.39 1.22 0.00 0.00 -0.26 0.00 0.00 64.21 65.55 2cra n SER 69 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49